smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc21	ZINC000009569519	132234433	/nfs/dbraw/zinc/23/44/33/132234433.db2.gz	OATVFOUGGXBLSO-UHFFFAOYSA-N	0	1	411.461	2.108	50	5		HEBAMN
Nc1nc(CSc2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)nc(N2CCCCC2)n1	ZINC000012374669	132359215	/nfs/dbraw/zinc/35/92/15/132359215.db2.gz	ABFIIZHXKKOAJJ-UHFFFAOYSA-N	0	1	413.467	2.430	50	5		HEBAMN
O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000013540524	558842369	/nfs/dbraw/zinc/84/23/69/558842369.db2.gz	WMOIDSVFHDUYQF-RQXXJAGISA-N	0	1	418.409	2.026	50	5		HEBAMN
O=C(NC[C@@H]1CCCO1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000005533980	560606161	/nfs/dbraw/zinc/60/61/61/560606161.db2.gz	KNKQDSADXZEVKA-INIZCTEOSA-N	0	1	405.432	2.304	50	5		HEBAMN
COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]23)c(OC)c1	ZINC000101254716	560789726	/nfs/dbraw/zinc/78/97/26/560789726.db2.gz	HQFBSTJYGJNOAN-AEFFLSMTSA-N	0	1	411.370	2.213	50	5		HEBAMN
O=C1N[C@H](c2cccc([N+](=O)[O-])c2)C(=C(O)c2cccnc2)[C@@](O)(C(F)(F)F)N1	ZINC000101882277	560804346	/nfs/dbraw/zinc/80/43/46/560804346.db2.gz	DITNEJNVBANGNY-WOSRLPQWSA-N	0	1	410.308	2.094	50	5		HEBAMN
CC(=O)Nc1cc(NCc2ccc(N3CCN(C)CC3)nc2)c(F)cc1[N+](=O)[O-]	ZINC000012934695	569026149	/nfs/dbraw/zinc/02/61/49/569026149.db2.gz	ZZCKMEHZIPFURE-UHFFFAOYSA-N	0	1	402.430	2.451	50	5		HEBAMN
COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(O)=C23)cc1OC	ZINC000009109887	571222425	/nfs/dbraw/zinc/22/24/25/571222425.db2.gz	PGDCRVUWGQCJBE-SJLPKXTDSA-N	0	1	411.370	2.213	50	5		HEBAMN
CN1CCN([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)c2ccc3c(c2)OCO3)CC1	ZINC000004568848	558736502	/nfs/dbraw/zinc/73/65/02/558736502.db2.gz	ATNQPLWMPJIGRO-SFHVURJKSA-N	0	1	412.446	2.042	50	5		HEBAMN
CC(C)[C@@H]1N[C@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21	ZINC000015975126	569025197	/nfs/dbraw/zinc/02/51/97/569025197.db2.gz	BSIKUHLEOMYPKY-VDNWNZSNSA-N	0	1	420.425	2.176	50	5		HEBAMN
Cc1ccc([C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N2CCN(C)CC2)cc1	ZINC000004850863	559190878	/nfs/dbraw/zinc/19/08/78/559190878.db2.gz	UMQWNKFPKRKGDF-FQEVSTJZSA-N	0	1	418.519	2.170	50	5		HEBAMN
COc1ccc(C2=NO[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(=O)[C@H]23)c(OC)c1	ZINC000101239678	560789373	/nfs/dbraw/zinc/78/93/73/560789373.db2.gz	CRTQVYUERQDKLA-AEFFLSMTSA-N	0	1	411.370	2.213	50	5		HEBAMN
O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000229655681	568952857	/nfs/dbraw/zinc/95/28/57/568952857.db2.gz	PTAAMSSDVVNNBX-KCXPTXFHSA-N	0	1	418.409	2.026	50	5		HEBAMN
O=C1[C@H]2CCCCN2C(=O)N1CCCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004661420	132281492	/nfs/dbraw/zinc/28/14/92/132281492.db2.gz	YLMKDSYMYDJBSC-LJQANCHMSA-N	0	1	415.494	2.314	50	5		HEBAMN
C[C@@H]1CN(CCCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1	ZINC000012557643	132363809	/nfs/dbraw/zinc/36/38/09/132363809.db2.gz	YFLGQDIYZMCZSF-CALCHBBNSA-N	0	1	404.511	2.427	50	5		HEBAMN
O=[N+]([O-])c1ccc(N2CCN(Cn3nc(CN4CCCC4)oc3=S)CC2)cc1	ZINC000024992203	568711268	/nfs/dbraw/zinc/71/12/68/568711268.db2.gz	VPGSDNIUPZUTAC-UHFFFAOYSA-N	0	1	404.496	2.489	50	5		HEBAMN
O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)C(=C(O)c2cccnc2)[C@](O)(C(F)(F)F)N1	ZINC000226355665	568806897	/nfs/dbraw/zinc/80/68/97/568806897.db2.gz	JVUOXXNQZWNLDX-ZENOOKHLSA-N	0	1	410.308	2.094	50	5		HEBAMN
CC(C)[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21	ZINC000015975124	569025175	/nfs/dbraw/zinc/02/51/75/569025175.db2.gz	BSIKUHLEOMYPKY-MSQSPTIYSA-N	0	1	420.425	2.176	50	5		HEBAMN
C[C@H]1CN(CCCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1	ZINC000012557644	132363844	/nfs/dbraw/zinc/36/38/44/132363844.db2.gz	YFLGQDIYZMCZSF-IRXDYDNUSA-N	0	1	404.511	2.427	50	5		HEBAMN
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)c1C	ZINC000032935315	525557080	/nfs/dbraw/zinc/55/70/80/525557080.db2.gz	PHMWPRNSOHGBLG-UHFFFAOYSA-N	0	1	418.431	2.411	50	5		HEBAMN
O=C1N[C@H](c2ccccc2[N+](=O)[O-])C(=C(O)c2cccnc2)[C@](O)(C(F)(F)F)N1	ZINC000005573348	560624076	/nfs/dbraw/zinc/62/40/76/560624076.db2.gz	DAGYAVSQCLBSSG-IOASZLSFSA-N	0	1	410.308	2.094	50	5		HEBAMN
COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(O)=C23)cc1OC	ZINC000101312433	560791473	/nfs/dbraw/zinc/79/14/73/560791473.db2.gz	PGDCRVUWGQCJBE-AEFFLSMTSA-N	0	1	411.370	2.213	50	5		HEBAMN
COc1cccc(-n2c(CN3CCN(C)CC3)nc3ccc([N+](=O)[O-])cc3c2=O)c1	ZINC000020155069	568591031	/nfs/dbraw/zinc/59/10/31/568591031.db2.gz	JYLIBJIOVCJEQL-UHFFFAOYSA-N	0	1	409.446	2.050	50	5		HEBAMN
CC(C)[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12	ZINC000138021619	569059650	/nfs/dbraw/zinc/05/96/50/569059650.db2.gz	BSIKUHLEOMYPKY-SUWCGCSTSA-N	0	1	420.425	2.176	50	5		HEBAMN
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000036398279	569171534	/nfs/dbraw/zinc/17/15/34/569171534.db2.gz	TUUYXAMPMYFGOM-KRWDZBQOSA-N	0	1	407.386	2.467	50	5		HEBAMN
O=C(CCN1CCN(Cc2cn3ccccc3n2)CC1)Nc1ccccc1[N+](=O)[O-]	ZINC000032903189	526488317	/nfs/dbraw/zinc/48/83/17/526488317.db2.gz	MOZLUIMGLYIILI-UHFFFAOYSA-N	0	1	408.462	2.389	50	5		HEBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)NCCCN2CCN(Cc3ccccc3)CC2)cc1	ZINC000032827799	527375601	/nfs/dbraw/zinc/37/56/01/527375601.db2.gz	LOHLVSCRJAOYAS-UHFFFAOYSA-N	0	1	418.519	2.081	50	5		HEBAMN
Cc1cc(=O)c(C(=O)NC[C@@H](c2ccccc2)N(C)C)nn1-c1ccccc1[N+](=O)[O-]	ZINC000015589991	568952109	/nfs/dbraw/zinc/95/21/09/568952109.db2.gz	DMJLUFBGAHFBFW-IBGZPJMESA-N	0	1	421.457	2.482	50	5		HEBAMN
O=C1N[C@H](c2cccc([N+](=O)[O-])c2)C(=C(O)c2cccnc2)[C@](O)(C(F)(F)F)N1	ZINC000004263341	568955646	/nfs/dbraw/zinc/95/56/46/568955646.db2.gz	DITNEJNVBANGNY-IOASZLSFSA-N	0	1	410.308	2.094	50	5		HEBAMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1	ZINC000015919328	569021468	/nfs/dbraw/zinc/02/14/68/569021468.db2.gz	ZOKSSRBFZKVTEV-UHFFFAOYSA-N	0	1	411.461	2.180	50	5		HEBAMN
COc1ccc(-c2nc(CN3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC3)cs2)cc1	ZINC000040115510	571173383	/nfs/dbraw/zinc/17/33/83/571173383.db2.gz	XJQKLSQTYIJUSU-IAGOWNOFSA-N	0	1	402.476	2.128	50	5		HEBAMN
O=C1[C@@H]2CCCCN2C(=O)N1CCCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004661419	132281508	/nfs/dbraw/zinc/28/15/08/132281508.db2.gz	YLMKDSYMYDJBSC-IBGZPJMESA-N	0	1	415.494	2.314	50	5		HEBAMN
C[NH+](C)Cc1ccccc1C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2	ZINC000032895716	521934182	/nfs/dbraw/zinc/93/41/82/521934182.db2.gz	PDEUYYNLGXYLBG-UHFFFAOYSA-N	0	1	421.475	2.296	50	5		HEBAMN
CC(C)[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12	ZINC000248158397	559265617	/nfs/dbraw/zinc/26/56/17/559265617.db2.gz	FGMRIYXBKDSDSE-QLDGJZPUSA-N	0	1	420.425	2.176	50	5		HEBAMN
COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(O)=C23)cc1OC	ZINC000100880683	560761976	/nfs/dbraw/zinc/76/19/76/560761976.db2.gz	YJXOSFDDGICVCQ-AEFFLSMTSA-N	0	1	411.370	2.213	50	5		HEBAMN
COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(O)=C23)cc1OC	ZINC000101362108	560792773	/nfs/dbraw/zinc/79/27/73/560792773.db2.gz	YJXOSFDDGICVCQ-WMZOPIPTSA-N	0	1	411.370	2.213	50	5		HEBAMN
COc1ccc(C2=NO[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(O)=C23)cc1OC	ZINC000101273486	560790283	/nfs/dbraw/zinc/79/02/83/560790283.db2.gz	GPTJDNKNJXNIQE-AEFFLSMTSA-N	0	1	411.370	2.213	50	5		HEBAMN
COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(O)=C23)cc1OC	ZINC000102895283	560833228	/nfs/dbraw/zinc/83/32/28/560833228.db2.gz	PGDCRVUWGQCJBE-WMZOPIPTSA-N	0	1	411.370	2.213	50	5		HEBAMN
CC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3cc(O)ccc3[N+](=O)[O-])CC2)cc1	ZINC000225532945	568772383	/nfs/dbraw/zinc/77/23/83/568772383.db2.gz	GDTMJEVTCASGFL-UHFFFAOYSA-N	0	1	419.459	2.010	50	5		HEBAMN
CC(C)(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000008916559	569390897	/nfs/dbraw/zinc/39/08/97/569390897.db2.gz	WPRDMTXBXZQICJ-UHFFFAOYSA-N	0	1	413.477	2.472	50	5		HEBAMN
COCc1nc(-n2ccc3nc4ccn(-c5ccc(C)cc5)c(=O)c4cc3c2=O)n[nH]1	ZINC000040398965	523162304	/nfs/dbraw/zinc/16/23/04/523162304.db2.gz	SVHNGELHSIFPCD-UHFFFAOYSA-N	0	1	414.425	2.263	50	5		HEBAMN
O=C(Cc1ccccc1[N+](=O)[O-])N1CCc2[nH]nc(C(=O)NCc3ccccc3)c2C1	ZINC000034797120	558783961	/nfs/dbraw/zinc/78/39/61/558783961.db2.gz	DDXSCZOUVWGJNA-UHFFFAOYSA-N	0	1	419.441	2.375	50	5		HEBAMN
COc1cccc(C2=NO[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(=O)[C@@H]23)c1OC	ZINC000102556981	560817857	/nfs/dbraw/zinc/81/78/57/560817857.db2.gz	UWXKKHUMNBVSTH-MAUKXSAKSA-N	0	1	411.370	2.213	50	5		HEBAMN
COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)N1CCCC1	ZINC000015128571	568775130	/nfs/dbraw/zinc/77/51/30/568775130.db2.gz	JWEDZLHKDOPZMP-KRWDZBQOSA-N	0	1	420.491	2.500	50	5		HEBAMN
O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000229655693	568952945	/nfs/dbraw/zinc/95/29/45/568952945.db2.gz	PTAAMSSDVVNNBX-FBAVSBLXSA-N	0	1	418.409	2.026	50	5		HEBAMN
CC(C)[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12	ZINC000138117777	569065193	/nfs/dbraw/zinc/06/51/93/569065193.db2.gz	FGMRIYXBKDSDSE-SUWCGCSTSA-N	0	1	420.425	2.176	50	5		HEBAMN
COc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC[C@@H]2CCCO2)cc([N+](=O)[O-])c1O	ZINC000012416510	569400895	/nfs/dbraw/zinc/40/08/95/569400895.db2.gz	YTYRLCRDULRQOT-LRDDRELGSA-N	0	1	421.406	2.001	50	5		HEBAMN
CCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000032759711	519980540	/nfs/dbraw/zinc/98/05/40/519980540.db2.gz	XBVIBDXTWUUFNH-UHFFFAOYSA-N	0	1	413.477	2.392	50	5		HEBAMN
O=C(c1cc(-c2ccccc2)[nH]n1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c([N+](=O)[O-])ccc12	ZINC000409413571	559250790	/nfs/dbraw/zinc/25/07/90/559250790.db2.gz	NXCGWIHSFLVTSL-DZGCQCFKSA-N	0	1	405.414	2.406	50	5		HEBAMN
O=C1N[C@H](c2ccccc2[N+](=O)[O-])C(=C(O)c2cccnc2)[C@](O)(C(F)(F)F)N1	ZINC000005573368	560624174	/nfs/dbraw/zinc/62/41/74/560624174.db2.gz	DAGYAVSQCLBSSG-ZENOOKHLSA-N	0	1	410.308	2.094	50	5		HEBAMN
COc1cccc(C2=NO[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(=O)[C@H]23)c1OC	ZINC000018209891	560784385	/nfs/dbraw/zinc/78/43/85/560784385.db2.gz	UWXKKHUMNBVSTH-QAPCUYQASA-N	0	1	411.370	2.213	50	5		HEBAMN
COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@H]23)c(OC)c1	ZINC000101235961	560789431	/nfs/dbraw/zinc/78/94/31/560789431.db2.gz	BRJUXKBPZYTFHY-AEFFLSMTSA-N	0	1	411.370	2.213	50	5		HEBAMN
O=[N+]([O-])c1cccc(N(C[C@@H](O)CN2CCCC2)S(=O)(=O)c2ccccc2)c1	ZINC000004819818	559069108	/nfs/dbraw/zinc/06/91/08/559069108.db2.gz	QLMULAKCGDECQS-SFHVURJKSA-N	0	1	405.476	2.247	50	5		HEBAMN
CCCOc1ccc(N2C(=O)C[C@H](NCCNc3ccc([N+](=O)[O-])cn3)C2=O)cc1	ZINC000100823484	560757543	/nfs/dbraw/zinc/75/75/43/560757543.db2.gz	NIYHZSGVFYRQFH-KRWDZBQOSA-N	0	1	413.434	2.112	50	5		HEBAMN
COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(O)=C23)cc1OC	ZINC000101362110	560792737	/nfs/dbraw/zinc/79/27/37/560792737.db2.gz	YJXOSFDDGICVCQ-FUHWJXTLSA-N	0	1	411.370	2.213	50	5		HEBAMN
COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(O)=C23)cc1OC	ZINC000102895285	560833294	/nfs/dbraw/zinc/83/32/94/560833294.db2.gz	PGDCRVUWGQCJBE-FUHWJXTLSA-N	0	1	411.370	2.213	50	5		HEBAMN
O=C(CN(CCN1CCOCC1)C1CCCC1)N1CCc2cc([N+](=O)[O-])ccc21	ZINC000095446687	568612068	/nfs/dbraw/zinc/61/20/68/568612068.db2.gz	WJEYAJYVTTWLDA-UHFFFAOYSA-N	0	1	402.495	2.061	50	5		HEBAMN
COc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OCCSC)cc([N+](=O)[O-])c1O	ZINC000034846687	568829290	/nfs/dbraw/zinc/82/92/90/568829290.db2.gz	DYRLJVMVAOETRF-CQSZACIVSA-N	0	1	411.436	2.185	50	5		HEBAMN
O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000229655671	568952906	/nfs/dbraw/zinc/95/29/06/568952906.db2.gz	PTAAMSSDVVNNBX-SUWCGCSTSA-N	0	1	418.409	2.026	50	5		HEBAMN
CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1	ZINC000012781324	568957922	/nfs/dbraw/zinc/95/79/22/568957922.db2.gz	CHZPENGUJLLKFK-UHFFFAOYSA-N	0	1	413.477	2.311	50	5		HEBAMN
CCC(CC)[C@@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)N1CCOCC1	ZINC000027369973	569298193	/nfs/dbraw/zinc/29/81/93/569298193.db2.gz	XAOXCHFGXZLRPJ-LJQANCHMSA-N	0	1	407.515	2.443	50	5		HEBAMN
COc1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc([N+](=O)[O-])c1O	ZINC000019537323	569422247	/nfs/dbraw/zinc/42/22/47/569422247.db2.gz	GUNRCEWNIGVFKX-UHFFFAOYSA-N	0	1	401.419	2.356	50	5		HEBAMN
CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-]	ZINC000040114818	571172512	/nfs/dbraw/zinc/17/25/12/571172512.db2.gz	BESCTAVNROOUCL-YJBOKZPZSA-N	0	1	424.523	2.311	50	5		HEBAMN
COc1ccc(C2=NO[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(=O)[C@H]23)c(OC)c1	ZINC000104046702	560847880	/nfs/dbraw/zinc/84/78/80/560847880.db2.gz	CRTQVYUERQDKLA-SJLPKXTDSA-N	0	1	411.370	2.213	50	5		HEBAMN
O=C(NC1=NCCS1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000012526079	568843037	/nfs/dbraw/zinc/84/30/37/568843037.db2.gz	VNGLBFQSNAAQJR-UHFFFAOYSA-N	0	1	406.445	2.228	50	5		HEBAMN
O=C1N[C@H](c2cccc([N+](=O)[O-])c2)C(=C(O)c2cccnc2)[C@@](O)(C(F)(F)F)N1	ZINC000011859178	569399056	/nfs/dbraw/zinc/39/90/56/569399056.db2.gz	DITNEJNVBANGNY-XJKCOSOUSA-N	0	1	410.308	2.094	50	5		HEBAMN
COc1ccc(-c2nc(CN3CCN(C(=O)[C@H]4CC4[N+](=O)[O-])CC3)cs2)cc1	ZINC000040115508	571173509	/nfs/dbraw/zinc/17/35/09/571173509.db2.gz	XJQKLSQTYIJUSU-IRXDYDNUSA-N	0	1	402.476	2.128	50	5		HEBAMN
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000036398278	569171552	/nfs/dbraw/zinc/17/15/52/569171552.db2.gz	TUUYXAMPMYFGOM-QGZVFWFLSA-N	0	1	407.386	2.467	50	5		HEBAMN
COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]23)c(OC)c1	ZINC000009328553	571248377	/nfs/dbraw/zinc/24/83/77/571248377.db2.gz	HQFBSTJYGJNOAN-SJLPKXTDSA-N	0	1	411.370	2.213	50	5		HEBAMN
CN(C)S(=O)(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl	ZINC000009539488	571267305	/nfs/dbraw/zinc/26/73/05/571267305.db2.gz	IJVIVZCFDZBESU-UHFFFAOYSA-N	0	1	419.868	2.299	50	5		HEBAMN
Cn1c(Cn2c3ccccc3c(=O)c3ccccc32)nnc1SCc1nn[nH]n1	ZINC000033821702	559248180	/nfs/dbraw/zinc/24/81/80/559248180.db2.gz	FAXGIQBFHUTUSV-UHFFFAOYSA-N	0	1	404.459	2.137	50	5		HEBAMN
COc1ccc(-c2nc3n(n2)C(CC(=O)Nc2ccccc2[N+](=O)[O-])C(=O)N3)cc1	ZINC000020720918	568640362	/nfs/dbraw/zinc/64/03/62/568640362.db2.gz	UUDWAEJAXOJMDO-HNNXBMFYSA-N	0	1	408.374	2.384	50	5		HEBAMN
COCCN1CC[C@@H](CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1	ZINC000058174358	568896638	/nfs/dbraw/zinc/89/66/38/568896638.db2.gz	XTECGRRJJNUVJF-NSHDSACASA-N	0	1	411.402	2.269	50	5		HEBAMN
CN1CCN([C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)CC1	ZINC000009740913	571283378	/nfs/dbraw/zinc/28/33/78/571283378.db2.gz	RQGCHASOMCMDAH-IBGZPJMESA-N	0	1	422.482	2.001	50	5		HEBAMN
Cn1c(CN2CCN(C)CC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21	ZINC000010342187	571301168	/nfs/dbraw/zinc/30/11/68/571301168.db2.gz	XEHUHNMPFFWESB-UHFFFAOYSA-N	0	1	408.462	2.481	50	5		HEBAMN
COc1ccc(-c2nc3n(n2)C(CC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)N3)cc1	ZINC000020717688	568640375	/nfs/dbraw/zinc/64/03/75/568640375.db2.gz	YVVHJZHJQYFDLJ-OAHLLOKOSA-N	0	1	408.374	2.384	50	5		HEBAMN
CN1CCN(c2ccccc2NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1	ZINC000057672354	568857919	/nfs/dbraw/zinc/85/79/19/568857919.db2.gz	HPHBTFMOCVBRKY-UHFFFAOYSA-N	0	1	407.434	2.180	50	5		HEBAMN
C[C@H](NCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000058161260	568894200	/nfs/dbraw/zinc/89/42/00/568894200.db2.gz	PSJLFTUIEPLQGF-JTQLQIEISA-N	0	1	412.855	2.012	50	5		HEBAMN
COCCN1CC[C@H](CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1	ZINC000058174357	568896602	/nfs/dbraw/zinc/89/66/02/568896602.db2.gz	XTECGRRJJNUVJF-LLVKDONJSA-N	0	1	411.402	2.269	50	5		HEBAMN
COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]23)c(OC)c1	ZINC000104067896	560847851	/nfs/dbraw/zinc/84/78/51/560847851.db2.gz	HQFBSTJYGJNOAN-WMZOPIPTSA-N	0	1	411.370	2.213	50	5		HEBAMN
COCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccccc3)C[C@H]12	ZINC000035870212	569063921	/nfs/dbraw/zinc/06/39/21/569063921.db2.gz	DFXAODFNBUSILX-IFMALSPDSA-N	0	1	424.501	2.221	50	5		HEBAMN
CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1	ZINC000089977347	569270386	/nfs/dbraw/zinc/27/03/86/569270386.db2.gz	JXALOQIOSUPEAK-CYBMUJFWSA-N	0	1	404.446	2.100	50	5		HEBAMN
CC(C)[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21	ZINC000009312153	571247150	/nfs/dbraw/zinc/24/71/50/571247150.db2.gz	BSIKUHLEOMYPKY-ORGXJRBJSA-N	0	1	420.425	2.176	50	5		HEBAMN
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)n1	ZINC000001779607	569052641	/nfs/dbraw/zinc/05/26/41/569052641.db2.gz	DPYQABPXNYAKHU-UHFFFAOYSA-N	0	1	403.376	2.339	50	5		HEBAMN
CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-]	ZINC000040114821	571172485	/nfs/dbraw/zinc/17/24/85/571172485.db2.gz	BESCTAVNROOUCL-MAUKXSAKSA-N	0	1	424.523	2.311	50	5		HEBAMN
O=C(NC[C@H]1CCCO1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000005533987	560606169	/nfs/dbraw/zinc/60/61/69/560606169.db2.gz	KNKQDSADXZEVKA-MRXNPFEDSA-N	0	1	405.432	2.304	50	5		HEBAMN
COc1cccc(C2=NO[C@@H]3C(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C(=O)[C@H]23)c1OC	ZINC000101276641	560790340	/nfs/dbraw/zinc/79/03/40/560790340.db2.gz	HFKWXGCJPXGDAT-QAPCUYQASA-N	0	1	411.370	2.213	50	5		HEBAMN
COc1ccc(C2=NO[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(=O)[C@@H]23)c(OC)c1	ZINC000104046693	560847873	/nfs/dbraw/zinc/84/78/73/560847873.db2.gz	CRTQVYUERQDKLA-WMZOPIPTSA-N	0	1	411.370	2.213	50	5		HEBAMN
COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)N1CCCC1	ZINC000015128569	568775060	/nfs/dbraw/zinc/77/50/60/568775060.db2.gz	JWEDZLHKDOPZMP-QGZVFWFLSA-N	0	1	420.491	2.500	50	5		HEBAMN
COc1ccc(-c2nc3n(n2)C(CC(=O)Nc2ccccc2[N+](=O)[O-])C(=O)N3)cc1	ZINC000020720914	568640322	/nfs/dbraw/zinc/64/03/22/568640322.db2.gz	UUDWAEJAXOJMDO-OAHLLOKOSA-N	0	1	408.374	2.384	50	5		HEBAMN
COc1ccc(-c2nc3n(n2)C(CC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)N3)cc1	ZINC000020729978	568640623	/nfs/dbraw/zinc/64/06/23/568640623.db2.gz	QURBGGJOEIKVIB-HNNXBMFYSA-N	0	1	408.374	2.384	50	5		HEBAMN
CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1	ZINC000089977348	569270493	/nfs/dbraw/zinc/27/04/93/569270493.db2.gz	JXALOQIOSUPEAK-ZDUSSCGKSA-N	0	1	404.446	2.100	50	5		HEBAMN
COc1ccc(-c2nc(CN3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC3)cs2)cc1	ZINC000040115506	571173340	/nfs/dbraw/zinc/17/33/40/571173340.db2.gz	XJQKLSQTYIJUSU-SJORKVTESA-N	0	1	402.476	2.128	50	5		HEBAMN
CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc([N+](=O)[O-])o2)CC1	ZINC000004739180	132286599	/nfs/dbraw/zinc/28/65/99/132286599.db2.gz	HYGCQMMLFZMVQJ-UHFFFAOYSA-N	0	1	402.407	2.369	50	5		HEBAMN
COc1ccc(C2=NO[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(O)=C23)cc1OC	ZINC000102564089	560816468	/nfs/dbraw/zinc/81/64/68/560816468.db2.gz	GPTJDNKNJXNIQE-FUHWJXTLSA-N	0	1	411.370	2.213	50	5		HEBAMN
COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]23)c(OC)c1	ZINC000104067901	560847892	/nfs/dbraw/zinc/84/78/92/560847892.db2.gz	HQFBSTJYGJNOAN-FUHWJXTLSA-N	0	1	411.370	2.213	50	5		HEBAMN
CN1CCN([C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)CC1	ZINC000012342613	568488919	/nfs/dbraw/zinc/48/89/19/568488919.db2.gz	RQGCHASOMCMDAH-LJQANCHMSA-N	0	1	422.482	2.001	50	5		HEBAMN
Cc1[nH]ncc1CCCNC(=O)[C@H](C)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000095397411	568604557	/nfs/dbraw/zinc/60/45/57/568604557.db2.gz	IEVCEZDEWYSXMD-LLVKDONJSA-N	0	1	407.858	2.395	50	5		HEBAMN
COCc1nc(-n2ccc3nc4ccn(Cc5ccccc5)c(=O)c4cc3c2=O)n[nH]1	ZINC000040399004	523163610	/nfs/dbraw/zinc/16/36/10/523163610.db2.gz	FGDKSTGSMYPLLD-UHFFFAOYSA-N	0	1	414.425	2.013	50	5		HEBAMN
CC(C)(C)c1n[nH]c(SCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1	ZINC000012106285	535156352	/nfs/dbraw/zinc/15/63/52/535156352.db2.gz	GOIYBAWAAZYVHA-UHFFFAOYSA-N	0	1	404.496	2.451	50	5		HEBAMN
O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)C(=C(O)c2cccnc2)[C@@](O)(C(F)(F)F)N1	ZINC000005523792	560604715	/nfs/dbraw/zinc/60/47/15/560604715.db2.gz	JVUOXXNQZWNLDX-WOSRLPQWSA-N	0	1	410.308	2.094	50	5		HEBAMN
CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000001129077	568772891	/nfs/dbraw/zinc/77/28/91/568772891.db2.gz	UCDVVSCJPRNUIV-UHFFFAOYSA-N	0	1	413.477	2.426	50	5		HEBAMN
C[C@@H]1CN(CCCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H](C)O1	ZINC000012557641	132363823	/nfs/dbraw/zinc/36/38/23/132363823.db2.gz	YFLGQDIYZMCZSF-IAGOWNOFSA-N	0	1	404.511	2.427	50	5		HEBAMN
Cc1ccc([C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N2CCN(C)CC2)cc1	ZINC000004850862	559190928	/nfs/dbraw/zinc/19/09/28/559190928.db2.gz	UMQWNKFPKRKGDF-HXUWFJFHSA-N	0	1	418.519	2.170	50	5		HEBAMN
COc1cccc(C2=NO[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(=O)[C@@H]23)c1OC	ZINC000102556973	560817878	/nfs/dbraw/zinc/81/78/78/560817878.db2.gz	UWXKKHUMNBVSTH-YJBOKZPZSA-N	0	1	411.370	2.213	50	5		HEBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)N(C[C@@H](O)CN2CCCC2)c2ccccc2)cc1	ZINC000002501241	568777071	/nfs/dbraw/zinc/77/70/71/568777071.db2.gz	AZNOMHBWILREAQ-SFHVURJKSA-N	0	1	405.476	2.247	50	5		HEBAMN
O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000229856075	568960894	/nfs/dbraw/zinc/96/08/94/568960894.db2.gz	WMOIDSVFHDUYQF-FBAVSBLXSA-N	0	1	418.409	2.026	50	5		HEBAMN
COCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccccc3)C[C@@H]12	ZINC000169677331	569125382	/nfs/dbraw/zinc/12/53/82/569125382.db2.gz	DFXAODFNBUSILX-UNMCSNQZSA-N	0	1	424.501	2.221	50	5		HEBAMN
CCC(CC)[C@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)N1CCOCC1	ZINC000027369978	569298202	/nfs/dbraw/zinc/29/82/02/569298202.db2.gz	XAOXCHFGXZLRPJ-IBGZPJMESA-N	0	1	407.515	2.443	50	5		HEBAMN
COc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC[C@H]2CCCO2)cc([N+](=O)[O-])c1O	ZINC000012416515	569400891	/nfs/dbraw/zinc/40/08/91/569400891.db2.gz	YTYRLCRDULRQOT-WBMJQRKESA-N	0	1	421.406	2.001	50	5		HEBAMN
CC(C)[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21	ZINC000016011986	558766537	/nfs/dbraw/zinc/76/65/37/558766537.db2.gz	FGMRIYXBKDSDSE-ORGXJRBJSA-N	0	1	420.425	2.176	50	5		HEBAMN
O=[N+]([O-])c1cccc(N(C[C@H](O)CN2CCCC2)S(=O)(=O)c2ccccc2)c1	ZINC000004819817	559068972	/nfs/dbraw/zinc/06/89/72/559068972.db2.gz	QLMULAKCGDECQS-GOSISDBHSA-N	0	1	405.476	2.247	50	5		HEBAMN
COc1ccc(COC(=O)c2nonc2NCn2nc(C)cc2C)cc1[N+](=O)[O-]	ZINC000001068040	568766587	/nfs/dbraw/zinc/76/65/87/568766587.db2.gz	JDAZLXLCEBJTRK-UHFFFAOYSA-N	0	1	402.367	2.226	50	5		HEBAMN
Cc1cc(=O)c(C(=O)NC[C@H](c2ccccc2)N(C)C)nn1-c1ccccc1[N+](=O)[O-]	ZINC000015589993	568952057	/nfs/dbraw/zinc/95/20/57/568952057.db2.gz	DMJLUFBGAHFBFW-LJQANCHMSA-N	0	1	421.457	2.482	50	5		HEBAMN
COc1ccc(OCCNc2cc(N3CCN(CCO)CC3)ccc2[N+](=O)[O-])cc1	ZINC000019593903	569424127	/nfs/dbraw/zinc/42/41/27/569424127.db2.gz	YOLCICPSKSXSQS-UHFFFAOYSA-N	0	1	416.478	2.209	50	5		HEBAMN
CCc1n[nH]c(-n2ccc3nc4ccn(-c5ccc(OC)cc5)c(=O)c4cc3c2=O)n1	ZINC000040399137	522122252	/nfs/dbraw/zinc/12/22/52/522122252.db2.gz	DEOCNWWGLVDQIZ-UHFFFAOYSA-N	0	1	414.425	2.379	50	5		HEBAMN
CCc1nc(-n2ccc3nc4ccn(-c5ccc(OC)cc5)c(=O)c4cc3c2=O)n[nH]1	ZINC000040399137	522122261	/nfs/dbraw/zinc/12/22/61/522122261.db2.gz	DEOCNWWGLVDQIZ-UHFFFAOYSA-N	0	1	414.425	2.379	50	5		HEBAMN
CCCOc1ccc(N2C(=O)C[C@@H](NCCNc3ccc([N+](=O)[O-])cn3)C2=O)cc1	ZINC000004679134	558881882	/nfs/dbraw/zinc/88/18/82/558881882.db2.gz	NIYHZSGVFYRQFH-QGZVFWFLSA-N	0	1	413.434	2.112	50	5		HEBAMN
CC(C)[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	ZINC000248151548	559265431	/nfs/dbraw/zinc/26/54/31/559265431.db2.gz	BSIKUHLEOMYPKY-QLDGJZPUSA-N	0	1	420.425	2.176	50	5		HEBAMN
Cc1[nH]ncc1CCCNC(=O)[C@@H](C)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000095397410	568604589	/nfs/dbraw/zinc/60/45/89/568604589.db2.gz	IEVCEZDEWYSXMD-NSHDSACASA-N	0	1	407.858	2.395	50	5		HEBAMN
COc1ccc(-c2nc3n(n2)C(CC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)N3)cc1	ZINC000020717692	568640287	/nfs/dbraw/zinc/64/02/87/568640287.db2.gz	YVVHJZHJQYFDLJ-HNNXBMFYSA-N	0	1	408.374	2.384	50	5		HEBAMN
O=[N+]([O-])c1ccccc1S(=O)(=O)NCCCN1CCN(Cc2ccccc2)CC1	ZINC000029231177	568823370	/nfs/dbraw/zinc/82/33/70/568823370.db2.gz	URRHPQCBZQSFMZ-UHFFFAOYSA-N	0	1	418.519	2.081	50	5		HEBAMN
CC1CCN(C(=O)c2[nH]nc3c2CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC3)CC1	ZINC000034809666	568828279	/nfs/dbraw/zinc/82/82/79/568828279.db2.gz	NIWKMPDEIRWBCV-UHFFFAOYSA-N	0	1	411.462	2.317	50	5		HEBAMN
C[C@H](NCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000058161387	568894170	/nfs/dbraw/zinc/89/41/70/568894170.db2.gz	KVUSHTIGLURIRB-JTQLQIEISA-N	0	1	412.855	2.012	50	5		HEBAMN
C[C@@H](NCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000058161262	568894209	/nfs/dbraw/zinc/89/42/09/568894209.db2.gz	PSJLFTUIEPLQGF-SNVBAGLBSA-N	0	1	412.855	2.012	50	5		HEBAMN
CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-]	ZINC000040114816	571172470	/nfs/dbraw/zinc/17/24/70/571172470.db2.gz	BESCTAVNROOUCL-QAPCUYQASA-N	0	1	424.523	2.311	50	5		HEBAMN
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1csc([N+](=O)[O-])c1	ZINC000040134469	571187519	/nfs/dbraw/zinc/18/75/19/571187519.db2.gz	CVTVQYDYRFWOIX-UHFFFAOYSA-N	0	1	405.417	2.499	50	5		HEBAMN
CN1CCN([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)c2ccc3c(c2)OCO3)CC1	ZINC000004568850	558736486	/nfs/dbraw/zinc/73/64/86/558736486.db2.gz	ATNQPLWMPJIGRO-GOSISDBHSA-N	0	1	412.446	2.042	50	5		HEBAMN
O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000013685985	558854471	/nfs/dbraw/zinc/85/44/71/558854471.db2.gz	PTAAMSSDVVNNBX-RQXXJAGISA-N	0	1	418.409	2.026	50	5		HEBAMN
COc1ccc(C2=NO[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(O)=C23)cc1OC	ZINC000102564083	560816476	/nfs/dbraw/zinc/81/64/76/560816476.db2.gz	GPTJDNKNJXNIQE-WMZOPIPTSA-N	0	1	411.370	2.213	50	5		HEBAMN
COc1cn(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(CN2CCCCC2)cc1=O	ZINC000016974397	569269656	/nfs/dbraw/zinc/26/96/56/569269656.db2.gz	YNNDIBWHZPNWQJ-UHFFFAOYSA-N	0	1	400.435	2.390	50	5		HEBAMN
COc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OC[C@H]2CCCO2)cc([N+](=O)[O-])c1O	ZINC000012416517	569400860	/nfs/dbraw/zinc/40/08/60/569400860.db2.gz	YTYRLCRDULRQOT-MLGOLLRUSA-N	0	1	421.406	2.001	50	5		HEBAMN
COc1cccc(C2=NO[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]23)c1OC	ZINC000101280580	560790404	/nfs/dbraw/zinc/79/04/04/560790404.db2.gz	HYJZTRGMCUCHGI-QAPCUYQASA-N	0	1	411.370	2.213	50	5		HEBAMN
COc1cccc(C2=NO[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(=O)[C@H]23)c1OC	ZINC000102556987	560817875	/nfs/dbraw/zinc/81/78/75/560817875.db2.gz	UWXKKHUMNBVSTH-CRAIPNDOSA-N	0	1	411.370	2.213	50	5		HEBAMN
O=C1N[C@H](c2ccccc2[N+](=O)[O-])C(=C(O)c2cccnc2)[C@@](O)(C(F)(F)F)N1	ZINC000015906648	569020282	/nfs/dbraw/zinc/02/02/82/569020282.db2.gz	DAGYAVSQCLBSSG-XJKCOSOUSA-N	0	1	410.308	2.094	50	5		HEBAMN
O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)C(=C(O)c2cccnc2)[C@](O)(C(F)(F)F)N1	ZINC000015906054	569020316	/nfs/dbraw/zinc/02/03/16/569020316.db2.gz	JVUOXXNQZWNLDX-IOASZLSFSA-N	0	1	410.308	2.094	50	5		HEBAMN
COCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccccc3)C[C@H]12	ZINC000035870213	569063957	/nfs/dbraw/zinc/06/39/57/569063957.db2.gz	DFXAODFNBUSILX-RBBKRZOGSA-N	0	1	424.501	2.221	50	5		HEBAMN
O=C(NC1CCC(O)CC1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000033028115	558851732	/nfs/dbraw/zinc/85/17/32/558851732.db2.gz	SIUCHONNUFGUEL-UHFFFAOYSA-N	0	1	419.459	2.429	50	5		HEBAMN
COc1ccc(-c2nc(CN3CCN(C(=O)[C@H]4CC4[N+](=O)[O-])CC3)cs2)cc1	ZINC000040115512	571173389	/nfs/dbraw/zinc/17/33/89/571173389.db2.gz	XJQKLSQTYIJUSU-DLBZAZTESA-N	0	1	402.476	2.128	50	5		HEBAMN
Cn1c(CN2CCN(C)CC2)nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21	ZINC000010342188	571301179	/nfs/dbraw/zinc/30/11/79/571301179.db2.gz	CLSGCGWUAQUVME-UHFFFAOYSA-N	0	1	408.462	2.481	50	5		HEBAMN
O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000033667775	559226659	/nfs/dbraw/zinc/22/66/59/559226659.db2.gz	WMOIDSVFHDUYQF-QSNWEANLSA-N	0	1	418.409	2.026	50	5		HEBAMN
COc1ccc(C2=NO[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(=O)[C@@H]23)c(OC)c1	ZINC000104046698	560847886	/nfs/dbraw/zinc/84/78/86/560847886.db2.gz	CRTQVYUERQDKLA-FUHWJXTLSA-N	0	1	411.370	2.213	50	5		HEBAMN
O=C1N[C@H](c2cccc([N+](=O)[O-])c2)C(=C(O)c2cccnc2)[C@](O)(C(F)(F)F)N1	ZINC000001155320	568774247	/nfs/dbraw/zinc/77/42/47/568774247.db2.gz	DITNEJNVBANGNY-ZENOOKHLSA-N	0	1	410.308	2.094	50	5		HEBAMN
C[C@@H](NCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000058161389	568894262	/nfs/dbraw/zinc/89/42/62/568894262.db2.gz	KVUSHTIGLURIRB-SNVBAGLBSA-N	0	1	412.855	2.012	50	5		HEBAMN
O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000229856071	568960891	/nfs/dbraw/zinc/96/08/91/568960891.db2.gz	WMOIDSVFHDUYQF-KCXPTXFHSA-N	0	1	418.409	2.026	50	5		HEBAMN
COc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OC[C@@H]2CCCO2)cc([N+](=O)[O-])c1O	ZINC000012416512	569400864	/nfs/dbraw/zinc/40/08/64/569400864.db2.gz	YTYRLCRDULRQOT-BLLLJJGKSA-N	0	1	421.406	2.001	50	5		HEBAMN
CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000040114820	571172497	/nfs/dbraw/zinc/17/24/97/571172497.db2.gz	BESCTAVNROOUCL-CRAIPNDOSA-N	0	1	424.523	2.311	50	5		HEBAMN
COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(O)=C23)cc1OC	ZINC000101362111	560792720	/nfs/dbraw/zinc/79/27/20/560792720.db2.gz	YJXOSFDDGICVCQ-SJLPKXTDSA-N	0	1	411.370	2.213	50	5		HEBAMN
COc1ccc(Cn2ccc3nc4ccn(-c5nc(C)n[nH]5)c(=O)c4cc3c2=O)cc1	ZINC000036125568	569095648	/nfs/dbraw/zinc/09/56/48/569095648.db2.gz	LWKBIRXGIPSBAN-UHFFFAOYSA-N	0	1	414.425	2.184	50	5		HEBAMN
O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000002334693	569376022	/nfs/dbraw/zinc/37/60/22/569376022.db2.gz	WMOIDSVFHDUYQF-SUWCGCSTSA-N	0	1	418.409	2.026	50	5		HEBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)N(C[C@H](O)CN2CCCC2)c2ccccc2)cc1	ZINC000002501239	568777166	/nfs/dbraw/zinc/77/71/66/568777166.db2.gz	AZNOMHBWILREAQ-GOSISDBHSA-N	0	1	405.476	2.247	50	5		HEBAMN
CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000035867437	569063256	/nfs/dbraw/zinc/06/32/56/569063256.db2.gz	VIGIJDYTRIOOEA-UHFFFAOYSA-N	0	1	406.391	2.232	50	5		HEBAMN
O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)C(=C(O)c2cccnc2)[C@@](O)(C(F)(F)F)N1	ZINC000005523796	560604706	/nfs/dbraw/zinc/60/47/06/560604706.db2.gz	JVUOXXNQZWNLDX-XJKCOSOUSA-N	0	1	410.308	2.094	50	5		HEBAMN
CC(C)[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21	ZINC000101994167	560806873	/nfs/dbraw/zinc/80/68/73/560806873.db2.gz	FGMRIYXBKDSDSE-MSQSPTIYSA-N	0	1	420.425	2.176	50	5		HEBAMN
COc1ccc(-c2nc3n(n2)C(CC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)N3)cc1	ZINC000020729974	568640595	/nfs/dbraw/zinc/64/05/95/568640595.db2.gz	QURBGGJOEIKVIB-OAHLLOKOSA-N	0	1	408.374	2.384	50	5		HEBAMN
O=C(Nc1nncs1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000012741606	568929715	/nfs/dbraw/zinc/92/97/15/568929715.db2.gz	JTIWATOHXMIFSA-UHFFFAOYSA-N	0	1	405.417	2.499	50	5		HEBAMN
COc1ccc(C2=NO[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(O)=C23)cc1OC	ZINC000008490646	571056496	/nfs/dbraw/zinc/05/64/96/571056496.db2.gz	GPTJDNKNJXNIQE-SJLPKXTDSA-N	0	1	411.370	2.213	50	5		HEBAMN
O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C(=O)N1c1ccccc1	ZINC000229901215	558427139	/nfs/dbraw/zinc/42/71/39/558427139.db2.gz	FPTLILCQASKCBJ-UWJYYQICSA-N	0	1	406.398	2.389	50	5		HEBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	ZINC000000789821	568474647	/nfs/dbraw/zinc/47/46/47/568474647.db2.gz	YESCJUUHMHKYOW-UHFFFAOYSA-N	0	1	411.461	2.180	50	5		HEBAMN
COc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OCCSC)cc([N+](=O)[O-])c1O	ZINC000034846686	568829249	/nfs/dbraw/zinc/82/92/49/568829249.db2.gz	DYRLJVMVAOETRF-AWEZNQCLSA-N	0	1	411.436	2.185	50	5		HEBAMN
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1[N+](=O)[O-]	ZINC000012532490	568844368	/nfs/dbraw/zinc/84/43/68/568844368.db2.gz	WVZLXERRIWJNNQ-UHFFFAOYSA-N	0	1	422.387	2.401	50	5		HEBAMN
COCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccccc3)C[C@@H]12	ZINC000169677330	569125336	/nfs/dbraw/zinc/12/53/36/569125336.db2.gz	DFXAODFNBUSILX-IRLDBZIGSA-N	0	1	424.501	2.221	50	5		HEBAMN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2ccc(=O)n(C)n2)cc1	ZINC000010324902	571300398	/nfs/dbraw/zinc/30/03/98/571300398.db2.gz	REEGMJXFRSWMLY-UHFFFAOYSA-N	0	1	400.416	2.465	50	5		HEBAMN