smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)cc1[N+](=O)[O-]	ZINC000004872649	559194097	/nfs/dbraw/zinc/19/40/97/559194097.db2.gz	WGLRAARTTURUOV-UHFFFAOYSA-N	-1	3	404.835	3.951	50	5		HHBAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC3CCC(O)CC3)c([N+](=O)[O-])c2)c(C)c1	ZINC000015208714	568818688	/nfs/dbraw/zinc/81/86/88/568818688.db2.gz	VPNIRNLHMWQNEB-UHFFFAOYSA-N	-1	3	419.503	3.728	50	5		HHBAHM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccccc1OC(F)(F)F	ZINC000029965754	568854145	/nfs/dbraw/zinc/85/41/45/568854145.db2.gz	BVNXOVLRVUCEIE-UHFFFAOYSA-N	-1	3	410.757	3.625	50	5		HHBAHM
CCOc1ccc([N-]C(=S)NC(=O)C=Cc2ccc(OC)cc2)c([N+](=O)[O-])c1	ZINC000004937917	559209386	/nfs/dbraw/zinc/20/93/86/559209386.db2.gz	NDDQODHEJCVPNW-IZZDOVSWSA-N	-1	3	401.444	3.529	50	5		HHBAHM
COc1ccc(OC)c([N-]c2nc(N)c([N+](=O)[O-])c(Nc3cccc(F)c3)n2)c1	ZINC000005025707	559230181	/nfs/dbraw/zinc/23/01/81/559230181.db2.gz	AQOGCQZLGTUXJR-UHFFFAOYSA-N	-1	3	400.370	3.611	50	5		HHBAHM
CCOc1ccc(-n2nc3cc(C)c([N-]C(=O)c4ccc([N+](=O)[O-])o4)cc3n2)cc1	ZINC000002236980	569318939	/nfs/dbraw/zinc/31/89/39/569318939.db2.gz	PNPAJAWCVZWSTF-UHFFFAOYSA-N	-1	3	407.386	3.881	50	5		HHBAHM
CCOC(=O)c1cc([N-]C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cc(C(=O)OCC)c1	ZINC000079055825	569425938	/nfs/dbraw/zinc/42/59/38/569425938.db2.gz	AYAZNHHHHLTAFJ-UHFFFAOYSA-N	-1	3	418.377	3.648	50	5		HHBAHM
Cc1nc(-c2ccc(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)cc2)cc(=O)[n-]1	ZINC000032915388	526577330	/nfs/dbraw/zinc/57/73/30/526577330.db2.gz	HPJWMMZIUSCNND-GFCCVEGCSA-N	-1	3	410.455	3.773	50	5		HHBAHM
COc1ccc([N-]S(=O)(=O)c2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])cc2)cc1	ZINC000021112425	568668296	/nfs/dbraw/zinc/66/82/96/568668296.db2.gz	SVKZCXBZBOGTTJ-LFYBBSHMSA-N	-1	3	415.427	3.871	50	5		HHBAHM
CCOC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2c1CCCC2	ZINC000003200085	568861208	/nfs/dbraw/zinc/86/12/08/568861208.db2.gz	XRJJHOWSGKJEHM-UHFFFAOYSA-N	-1	3	419.415	3.872	50	5		HHBAHM
COc1ccccc1Cc1nnc([N-]C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1	ZINC000009426456	569392673	/nfs/dbraw/zinc/39/26/73/569392673.db2.gz	PKLNAHPXSRMDTM-UHFFFAOYSA-N	-1	3	404.835	3.951	50	5		HHBAHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccccc1COCc1ccccc1	ZINC000032441860	527405909	/nfs/dbraw/zinc/40/59/09/527405909.db2.gz	MTASJVRDORZSTR-UHFFFAOYSA-N	-1	3	412.467	3.790	50	5		HHBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1	ZINC000100711680	559259455	/nfs/dbraw/zinc/25/94/55/559259455.db2.gz	FKTXAJQBICUBOF-PWRODBHTSA-N	-1	3	415.405	3.646	50	5		HHBAHM
Cc1ccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000005198488	559292133	/nfs/dbraw/zinc/29/21/33/559292133.db2.gz	NBHVEZSBASGMSA-UHFFFAOYSA-N	-1	3	400.394	3.664	50	5		HHBAHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000017778713	560727228	/nfs/dbraw/zinc/72/72/28/560727228.db2.gz	LGWZTUBTNDZURN-QHAWAJNXSA-N	-1	3	415.405	3.646	50	5		HHBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000102724815	560821699	/nfs/dbraw/zinc/82/16/99/560821699.db2.gz	LGWZTUBTNDZURN-PWRODBHTSA-N	-1	3	415.405	3.646	50	5		HHBAHM
CS(=O)(=O)c1ccc2nc([N-]C(=O)c3cc(Cl)ccc3[N+](=O)[O-])sc2c1	ZINC000002475297	568773603	/nfs/dbraw/zinc/77/36/03/568773603.db2.gz	QCEKYCZBEODSMN-UHFFFAOYSA-N	-1	3	411.848	3.514	50	5		HHBAHM
CCOC(=O)c1c2c(sc1[N-]C(=O)c1nn(CC)cc1[N+](=O)[O-])C[C@@H](CC)CC2	ZINC000002731045	568804917	/nfs/dbraw/zinc/80/49/17/568804917.db2.gz	FTSPFQYHYBISCF-NSHDSACASA-N	-1	3	420.491	3.817	50	5		HHBAHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1	ZINC000004070131	568936901	/nfs/dbraw/zinc/93/69/01/568936901.db2.gz	FKTXAJQBICUBOF-NJDAHSKKSA-N	-1	3	415.405	3.646	50	5		HHBAHM
COc1cccc(CSc2nnc([N-]C(=O)c3cccc([N+](=O)[O-])c3)s2)c1	ZINC000035924414	569066158	/nfs/dbraw/zinc/06/61/58/569066158.db2.gz	AXBOTBZCOVPWBP-UHFFFAOYSA-N	-1	3	402.457	4.000	50	5		HHBAHM
CCNc1c2ccccc2oc(=O)c1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000016681925	569070360	/nfs/dbraw/zinc/07/03/60/569070360.db2.gz	RDSKMDNQNPVZQI-UHFFFAOYSA-N	-1	3	423.834	3.587	50	5		HHBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1ccccc1	ZINC000239377543	569233192	/nfs/dbraw/zinc/23/31/92/569233192.db2.gz	OBTZGXKXSUAATG-QHAWAJNXSA-N	-1	3	415.405	3.646	50	5		HHBAHM
O=C([N-]c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc([N+](=O)[O-])o1	ZINC000009443588	571259478	/nfs/dbraw/zinc/25/94/78/571259478.db2.gz	ZOALRTBAYYQVCN-UHFFFAOYSA-N	-1	3	421.818	3.894	50	5		HHBAHM
O=[N+]([O-])c1ccc(NCCC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1	ZINC000004688175	558898881	/nfs/dbraw/zinc/89/88/81/558898881.db2.gz	FIWQRWDPXPQJPZ-UHFFFAOYSA-N	-1	3	404.275	3.682	50	5		HHBAHM
O=C([N-]c1ccc([N+](=O)[O-])cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl	ZINC000101963331	560804647	/nfs/dbraw/zinc/80/46/47/560804647.db2.gz	VGQGPDKGUUSCDS-UHFFFAOYSA-N	-1	3	401.118	3.970	50	5		HHBAHM
O=C([N-]c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000103444100	560842089	/nfs/dbraw/zinc/84/20/89/560842089.db2.gz	GCNHGMKTFZBASP-UHFFFAOYSA-N	-1	3	400.225	3.682	50	5		HHBAHM
CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2ccc([N+](=O)[O-])cc2)CCO1	ZINC000005862057	568826516	/nfs/dbraw/zinc/82/65/16/568826516.db2.gz	YBXIMSUDUZZIGS-CJNGLKHVSA-N	-1	3	418.475	3.639	50	5		HHBAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NCCN3CCCC3)c([N+](=O)[O-])c2)c(C)c1	ZINC000058023617	568877884	/nfs/dbraw/zinc/87/78/84/568877884.db2.gz	BFNWTQYEXJCWKK-UHFFFAOYSA-N	-1	3	418.519	3.520	50	5		HHBAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@@H]3CCCC[C@@H]3O)c([N+](=O)[O-])c2)c(C)c1	ZINC000058167271	568895401	/nfs/dbraw/zinc/89/54/01/568895401.db2.gz	QJSSXTOKKAQICS-QUCCMNQESA-N	-1	3	419.503	3.728	50	5		HHBAHM
COc1ccc([N-]C(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)c([N+](=O)[O-])c1	ZINC000006184320	569025910	/nfs/dbraw/zinc/02/59/10/569025910.db2.gz	BLCBOQLHSIOLAD-UHFFFAOYSA-N	-1	3	404.810	3.964	50	5		HHBAHM
O=C(CSc1nnc([N-]C(=O)c2ccccc2[N+](=O)[O-])s1)c1ccccc1	ZINC000006343993	569043740	/nfs/dbraw/zinc/04/37/40/569043740.db2.gz	MOPDJWNADUEJMP-UHFFFAOYSA-N	-1	3	400.441	3.674	50	5		HHBAHM
COc1ccc([C@H]2Nc3ccccc3C(=O)N2[N-]C(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000008925876	571160054	/nfs/dbraw/zinc/16/00/54/571160054.db2.gz	GKJBEWNJZIYMLD-FQEVSTJZSA-N	-1	3	418.409	3.515	50	5		HHBAHM
Cc1ccc(OCc2nc(SCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n[n-]2)cc1	ZINC000009284703	571245057	/nfs/dbraw/zinc/24/50/57/571245057.db2.gz	VIVIJXJPAQYQMH-UHFFFAOYSA-N	-1	3	424.442	3.943	50	5		HHBAHM
COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)cc1[N+](=O)[O-]	ZINC000009715226	571281610	/nfs/dbraw/zinc/28/16/10/571281610.db2.gz	WKRAEAUMKBUGHZ-UHFFFAOYSA-N	-1	3	421.656	3.820	50	5		HHBAHM
O=c1[n-]c(SCc2cccc([N+](=O)[O-])c2)nc2c1cnn2-c1ccc(Cl)cc1	ZINC000010613178	558795870	/nfs/dbraw/zinc/79/58/70/558795870.db2.gz	WNCCNSPMZWUAGI-UHFFFAOYSA-N	-1	3	413.846	3.963	50	5		HHBAHM
CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1[N-]c1ccc([N+](=O)[O-])cc1Cl	ZINC000005046956	559236700	/nfs/dbraw/zinc/23/67/00/559236700.db2.gz	GDDGOEYUYCXCEQ-UHFFFAOYSA-N	-1	3	416.825	3.761	50	5		HHBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccccc1	ZINC000102748789	560824422	/nfs/dbraw/zinc/82/44/22/560824422.db2.gz	KLSOIPVTUNNHBD-PWRODBHTSA-N	-1	3	415.405	3.646	50	5		HHBAHM
C[C@@H](OC(=O)c1ccc([O-])cc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000008752812	571112504	/nfs/dbraw/zinc/11/25/04/571112504.db2.gz	JGMMZSLIOPZWTJ-LLVKDONJSA-N	-1	3	413.411	3.608	50	5		HHBAHM
O=[N+]([O-])c1cccc(-c2nc(Sc3ncnc4c3cnn4-c3ccccc3)n[n-]2)c1	ZINC000096572276	568761369	/nfs/dbraw/zinc/76/13/69/568761369.db2.gz	FKBCTZWNRRDXFW-UHFFFAOYSA-N	-1	3	416.426	3.660	50	5		HHBAHM
COc1ccccc1-c1nc([N-]C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n[nH]1	ZINC000052778638	568836550	/nfs/dbraw/zinc/83/65/50/568836550.db2.gz	SRJFZOYSSUJJIJ-UHFFFAOYSA-N	-1	3	405.370	3.901	50	5		HHBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1cccs1	ZINC000004163290	568947739	/nfs/dbraw/zinc/94/77/39/568947739.db2.gz	NHKZQPFXZRNZHB-GUDVDZBRSA-N	-1	3	421.434	3.707	50	5		HHBAHM
COC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2c1CC[C@@H](C)C2	ZINC000002080084	569274849	/nfs/dbraw/zinc/27/48/49/569274849.db2.gz	DZJYFFUHZVVAQS-SECBINFHSA-N	-1	3	419.415	3.728	50	5		HHBAHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1[N+](=O)[O-])ON(c1ccccc1)[C@H]2c1ccccc1	ZINC000245239963	571218951	/nfs/dbraw/zinc/21/89/51/571218951.db2.gz	INEDVKVVWCQTTM-QHAWAJNXSA-N	-1	3	415.405	3.646	50	5		HHBAHM
Cc1nc(-c2ccc(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)cc2)cc(=O)[n-]1	ZINC000032915389	526577579	/nfs/dbraw/zinc/57/75/79/526577579.db2.gz	HPJWMMZIUSCNND-LBPRGKRZSA-N	-1	3	410.455	3.773	50	5		HHBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1ccccc1	ZINC000102715460	560823106	/nfs/dbraw/zinc/82/31/06/560823106.db2.gz	OBTZGXKXSUAATG-NJDAHSKKSA-N	-1	3	415.405	3.646	50	5		HHBAHM
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=S)Nc1cc(Br)ccc1[O-]	ZINC000001192960	568822790	/nfs/dbraw/zinc/82/27/90/568822790.db2.gz	SOGFTMJJUPTYNL-FPYGCLRLSA-N	-1	3	422.260	3.589	50	5		HHBAHM
CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc([N+](=O)[O-])cc2)CCO1	ZINC000005862241	568826483	/nfs/dbraw/zinc/82/64/83/568826483.db2.gz	YBXIMSUDUZZIGS-XJKSGUPXSA-N	-1	3	418.475	3.639	50	5		HHBAHM
CCN(CC)c1ccc2cc(-c3nc(-c4ccc([N+](=O)[O-])cc4)n[n-]3)c(=O)oc2c1	ZINC000001505069	569006669	/nfs/dbraw/zinc/00/66/69/569006669.db2.gz	LDJMWXIBEIDOCQ-UHFFFAOYSA-N	-1	3	405.414	4.000	50	5		HHBAHM
CCN(CC)c1ccc2cc(-c3n[n-]c(-c4ccc([N+](=O)[O-])cc4)n3)c(=O)oc2c1	ZINC000001505069	569006670	/nfs/dbraw/zinc/00/66/70/569006670.db2.gz	LDJMWXIBEIDOCQ-UHFFFAOYSA-N	-1	3	405.414	4.000	50	5		HHBAHM
O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(S(=O)(=O)[N-]C2CCCC2)c1	ZINC000016212784	569029919	/nfs/dbraw/zinc/02/99/19/569029919.db2.gz	IWAKMZLYDOVMJK-UHFFFAOYSA-N	-1	3	423.878	3.721	50	5		HHBAHM
CCOC(=O)c1sc([N-]C(=O)c2ccccc2[N+](=O)[O-])c(C(=O)OCC)c1C	ZINC000001930529	569059750	/nfs/dbraw/zinc/05/97/50/569059750.db2.gz	DWOVNDOEHUHHJQ-UHFFFAOYSA-N	-1	3	406.416	3.570	50	5		HHBAHM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000009057127	569391459	/nfs/dbraw/zinc/39/14/59/569391459.db2.gz	KUURWBUIZKEMQM-UHFFFAOYSA-N	-1	3	415.402	3.787	50	5		HHBAHM
C[C@H](OC(=O)c1ccc([O-])cc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000008752808	571112489	/nfs/dbraw/zinc/11/24/89/571112489.db2.gz	JGMMZSLIOPZWTJ-NSHDSACASA-N	-1	3	413.411	3.608	50	5		HHBAHM
O=c1[nH][n-]c(-c2ccccc2O)c1[C@H](C[N+](=O)[O-])c1ccc(Br)cc1	ZINC000004649874	558866207	/nfs/dbraw/zinc/86/62/07/558866207.db2.gz	HOMJFGCSVMMSKO-CYBMUJFWSA-N	-1	3	404.220	3.659	50	5		HHBAHM
CCOC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])o2)sc2c1CC(C)(C)NC2(C)C	ZINC000004275295	568962345	/nfs/dbraw/zinc/96/23/45/568962345.db2.gz	FMOBBALRLKURAI-UHFFFAOYSA-N	-1	3	421.475	3.838	50	5		HHBAHM
O=C(c1n[n-]c(-c2ccccc2)c1Br)N1CCc2ccc([N+](=O)[O-])cc21	ZINC000065106456	569178762	/nfs/dbraw/zinc/17/87/62/569178762.db2.gz	YGJOPSJIEPKZTQ-UHFFFAOYSA-N	-1	3	413.231	3.950	50	5		HHBAHM
O=C(c1[n-]nc(-c2ccccc2)c1Br)N1CCc2ccc([N+](=O)[O-])cc21	ZINC000065106456	569178763	/nfs/dbraw/zinc/17/87/63/569178763.db2.gz	YGJOPSJIEPKZTQ-UHFFFAOYSA-N	-1	3	413.231	3.950	50	5		HHBAHM
O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(Cl)c1	ZINC000009720342	569393873	/nfs/dbraw/zinc/39/38/73/569393873.db2.gz	NCOGXZYPLPDRAP-UHFFFAOYSA-N	-1	3	424.693	3.945	50	5		HHBAHM
COc1ccc(C(=O)[N-]n2c(=O)c3ccccc3nc2C2CCCCC2)cc1[N+](=O)[O-]	ZINC000027528411	569364243	/nfs/dbraw/zinc/36/42/43/569364243.db2.gz	WRAGZDVGPISSGP-UHFFFAOYSA-N	-1	3	422.441	3.745	50	5		HHBAHM
Cc1nc(-c2ccc(F)cc2)sc1CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000009569524	571268565	/nfs/dbraw/zinc/26/85/65/571268565.db2.gz	DNLXMXVPLUKHBF-UHFFFAOYSA-N	-1	3	421.475	3.687	50	5		HHBAHM
O=C([N-]c1c(Cl)cc([N+](=O)[O-])cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000101483087	560795852	/nfs/dbraw/zinc/79/58/52/560795852.db2.gz	UXWBCBLRRHXXKI-UHFFFAOYSA-N	-1	3	401.118	3.970	50	5		HHBAHM
COc1ccc(C(=O)[N-]c2nnc(COc3ccc(Cl)cc3)s2)cc1[N+](=O)[O-]	ZINC000001130804	568773019	/nfs/dbraw/zinc/77/30/19/568773019.db2.gz	HHTZZLOSHSTKLX-UHFFFAOYSA-N	-1	3	420.834	3.940	50	5		HHBAHM
Cc1cccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1	ZINC000005199212	559292335	/nfs/dbraw/zinc/29/23/35/559292335.db2.gz	GSKOMEFPGWQLLM-UHFFFAOYSA-N	-1	3	414.421	3.972	50	5		HHBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1[N+](=O)[O-])ON(c1ccccc1)[C@@H]2c1ccccc1	ZINC000102704630	560820476	/nfs/dbraw/zinc/82/04/76/560820476.db2.gz	INEDVKVVWCQTTM-PWRODBHTSA-N	-1	3	415.405	3.646	50	5		HHBAHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccccc1	ZINC000102748793	560824351	/nfs/dbraw/zinc/82/43/51/560824351.db2.gz	KLSOIPVTUNNHBD-NJDAHSKKSA-N	-1	3	415.405	3.646	50	5		HHBAHM
C[C@H](Sc1nc2ccccc2c(=O)[n-]1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000002621004	568787606	/nfs/dbraw/zinc/78/76/06/568787606.db2.gz	NGOFQBPYZWCESI-VIFPVBQESA-N	-1	3	404.835	3.604	50	5		HHBAHM
Cc1ccc([O-])c(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)c1	ZINC000001210657	568824416	/nfs/dbraw/zinc/82/44/16/568824416.db2.gz	MGYLYZKDJMJEBK-UHFFFAOYSA-N	-1	3	402.362	3.640	50	5		HHBAHM
Cc1onc(C(=O)[N-]c2nccc(-c3ccco3)n2)c1COc1ccc([N+](=O)[O-])cc1	ZINC000013641710	558849181	/nfs/dbraw/zinc/84/91/81/558849181.db2.gz	KRJAGBKWLJGFOA-UHFFFAOYSA-N	-1	3	421.369	3.773	50	5		HHBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1cccs1	ZINC000102735666	560822843	/nfs/dbraw/zinc/82/28/43/560822843.db2.gz	NHKZQPFXZRNZHB-IPMKNSEASA-N	-1	3	421.434	3.707	50	5		HHBAHM
O=C1[C@@H]2C(=C([O-])N1c1cccc([N+](=O)[O-])c1)ON(c1ccccc1)[C@@H]2c1cccs1	ZINC000102860649	560831703	/nfs/dbraw/zinc/83/17/03/560831703.db2.gz	DKUPHKMYSNNQSX-IPMKNSEASA-N	-1	3	421.434	3.707	50	5		HHBAHM
COc1ccc(Cc2nnc([N-]C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)s2)cc1	ZINC000001139320	568773724	/nfs/dbraw/zinc/77/37/24/568773724.db2.gz	LGMGOARUUJWCBK-UHFFFAOYSA-N	-1	3	404.835	3.951	50	5		HHBAHM
O=C([N-]c1ccc([N+](=O)[O-])cc1Cl)c1cc2c(nc3ccccn3c2=O)s1	ZINC000006865105	569158702	/nfs/dbraw/zinc/15/87/02/569158702.db2.gz	OYQCUAKJYCCEKR-UHFFFAOYSA-N	-1	3	400.803	3.723	50	5		HHBAHM
COc1ccc([C@@H]2Nc3ccccc3C(=O)N2[N-]C(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000008925875	571159936	/nfs/dbraw/zinc/15/99/36/571159936.db2.gz	GKJBEWNJZIYMLD-HXUWFJFHSA-N	-1	3	418.409	3.515	50	5		HHBAHM
Cc1nc(-c2cccc(F)c2)sc1CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000009569527	571268658	/nfs/dbraw/zinc/26/86/58/571268658.db2.gz	SIXWASHDGYWTSU-UHFFFAOYSA-N	-1	3	421.475	3.687	50	5		HHBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1cccs1	ZINC000018178446	560781533	/nfs/dbraw/zinc/78/15/33/560781533.db2.gz	NHKZQPFXZRNZHB-CEXWTWQISA-N	-1	3	421.434	3.707	50	5		HHBAHM
COC(=O)c1c([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])sc2c1CC[C@H](C(C)(C)C)C2	ZINC000000669150	568460404	/nfs/dbraw/zinc/46/04/04/568460404.db2.gz	ADXBSLKLDAUBRG-JTQLQIEISA-N	-1	3	420.491	3.580	50	5		HHBAHM
O=[N+]([O-])c1ccc(Nc2cc(Nc3ccc(O)cc3)c3nonc3c2[N+](=O)[O-])c([O-])c1	ZINC000016513101	569058355	/nfs/dbraw/zinc/05/83/55/569058355.db2.gz	WKGAGYJRUMOKHC-UHFFFAOYSA-N	-1	3	424.329	3.938	50	5		HHBAHM
COC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2c1CC[C@H](C)C2	ZINC000002080083	569274834	/nfs/dbraw/zinc/27/48/34/569274834.db2.gz	DZJYFFUHZVVAQS-VIFPVBQESA-N	-1	3	419.415	3.728	50	5		HHBAHM
Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	ZINC000001516347	569010079	/nfs/dbraw/zinc/01/00/79/569010079.db2.gz	OLJDLDXZFCEGRH-UHFFFAOYSA-N	-1	3	411.439	3.956	50	5		HHBAHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1[N+](=O)[O-])ON(c1ccccc1)[C@@H]2c1ccccc1	ZINC000245239961	571218854	/nfs/dbraw/zinc/21/88/54/571218854.db2.gz	INEDVKVVWCQTTM-NJDAHSKKSA-N	-1	3	415.405	3.646	50	5		HHBAHM
COc1ccc(OC)c([N-]c2nc(N)c([N+](=O)[O-])c(Nc3ccc(F)cc3)n2)c1	ZINC000009328249	571248296	/nfs/dbraw/zinc/24/82/96/571248296.db2.gz	GVPVGBVREDVWEC-UHFFFAOYSA-N	-1	3	400.370	3.611	50	5		HHBAHM
CCOc1c([O-])ccc(/C=C2\C(=O)Nc3ccc(Br)cc32)c1[N+](=O)[O-]	ZINC000000713175	568464815	/nfs/dbraw/zinc/46/48/15/568464815.db2.gz	RRONYMSCJPMPER-GHXNOFRVSA-N	-1	3	405.204	3.954	50	5		HHBAHM
O=C(NCCCNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])c1cccc([O-])c1	ZINC000058264906	568907039	/nfs/dbraw/zinc/90/70/39/568907039.db2.gz	AEBNKYMSJVFAFN-UHFFFAOYSA-N	-1	3	419.437	3.763	50	5		HHBAHM
Cc1c([N+](=O)[O-])c(C(=O)[N-]c2nc(C34CC5CC(CC(C5)C3)C4)cs2)nn1C	ZINC000006526747	569063129	/nfs/dbraw/zinc/06/31/29/569063129.db2.gz	WABDFDNGAXFAGN-UHFFFAOYSA-N	-1	3	401.492	3.813	50	5		HHBAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@H](CO)C(C)(C)C)c([N+](=O)[O-])c2)c(C)c1	ZINC000170593661	569241165	/nfs/dbraw/zinc/24/11/65/569241165.db2.gz	SXMTYXQCVRJDSC-LJQANCHMSA-N	-1	3	421.519	3.831	50	5		HHBAHM
CCOc1ccc(C(=O)NC(=S)[N-]c2ccccc2[N+](=O)[O-])cc1Br	ZINC000009601691	569393713	/nfs/dbraw/zinc/39/37/13/569393713.db2.gz	UMBSTSSNIRKQBK-UHFFFAOYSA-N	-1	3	424.276	3.883	50	5		HHBAHM
COc1ccc(NCc2cc(=O)oc3ccc4ccccc4c23)cc1[N-]S(C)(=O)=O	ZINC000030026535	558726390	/nfs/dbraw/zinc/72/63/90/558726390.db2.gz	HGPHXCJMHZFIPP-UHFFFAOYSA-N	-1	3	424.478	3.938	50	5		HHBAHM
Cc1[nH]c2ccc(F)cc2c1CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000004580910	558767145	/nfs/dbraw/zinc/76/71/45/558767145.db2.gz	YTCPTPXFMYJTAF-UHFFFAOYSA-N	-1	3	411.842	3.698	50	5		HHBAHM
CCCCOc1cccc(C(=O)NC(=S)[N-]c2ccc(OC)cc2[N+](=O)[O-])c1	ZINC000004746946	559043655	/nfs/dbraw/zinc/04/36/55/559043655.db2.gz	ZJMDHGNEEYLSFC-UHFFFAOYSA-N	-1	3	403.460	3.909	50	5		HHBAHM
O=[N+]([O-])c1cc(Cl)ccc1NCC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000014008772	559141402	/nfs/dbraw/zinc/14/14/02/559141402.db2.gz	LYYUBVFHAQURGS-UHFFFAOYSA-N	-1	3	424.693	3.945	50	5		HHBAHM
Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C	ZINC000050534756	559187325	/nfs/dbraw/zinc/18/73/25/559187325.db2.gz	PLBFTYDPVIORHN-UHFFFAOYSA-N	-1	3	407.517	3.566	50	5		HHBAHM
O=C1[C@H]2C(=C([O-])N1c1cccc([N+](=O)[O-])c1)ON(c1ccccc1)[C@H]2c1cccs1	ZINC000018127363	560779447	/nfs/dbraw/zinc/77/94/47/560779447.db2.gz	DKUPHKMYSNNQSX-CEXWTWQISA-N	-1	3	421.434	3.707	50	5		HHBAHM
Cc1ccc(-n2ncc3c2nc(SCc2ccc([N+](=O)[O-])cc2)[n-]c3=O)cc1C	ZINC000002718020	568802176	/nfs/dbraw/zinc/80/21/76/568802176.db2.gz	XDVMQMRYNNOPLI-UHFFFAOYSA-N	-1	3	407.455	3.926	50	5		HHBAHM
Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1	ZINC000005925339	568829731	/nfs/dbraw/zinc/82/97/31/568829731.db2.gz	CVLCRSRWPIFYRM-UHFFFAOYSA-N	-1	3	411.439	3.956	50	5		HHBAHM
O=C(NCCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-])c1ccc([O-])cc1	ZINC000059023348	568882026	/nfs/dbraw/zinc/88/20/26/568882026.db2.gz	QSWVGGCSEXHPMW-UHFFFAOYSA-N	-1	3	403.744	3.815	50	5		HHBAHM
Cc1ccc(OCc2cccc(C(=O)N3NC=C[C@@]3([O-])C(F)(F)F)c2)c([N+](=O)[O-])c1	ZINC000013960380	559013051	/nfs/dbraw/zinc/01/30/51/559013051.db2.gz	CRWIWYOQBWEPNO-GOSISDBHSA-N	-1	3	423.347	3.565	50	5		HHBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccccc1	ZINC000136043111	559260057	/nfs/dbraw/zinc/26/00/57/559260057.db2.gz	KLSOIPVTUNNHBD-PCCBWWKXSA-N	-1	3	415.405	3.646	50	5		HHBAHM
Cc1cc([N+](=O)[O-])ccc1-n1c([O-])c2onc(-c3ccc(Cl)cc3Cl)c2c1O	ZINC000103559574	560843225	/nfs/dbraw/zinc/84/32/25/560843225.db2.gz	UXPXACRHAUOCOU-GOEBONIOSA-N	-1	3	420.208	3.503	50	5		HHBAHM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccccc1[N+](=O)[O-]	ZINC000000672419	568460768	/nfs/dbraw/zinc/46/07/68/568460768.db2.gz	DBLRENLKCHPWCI-UHFFFAOYSA-N	-1	3	415.402	3.787	50	5		HHBAHM
CCOc1ccc([N-]C(=S)NC(=O)c2ccc(Br)cc2)c([N+](=O)[O-])c1	ZINC000009089709	569391600	/nfs/dbraw/zinc/39/16/00/569391600.db2.gz	BDNKPSSZKUZZPX-UHFFFAOYSA-N	-1	3	424.276	3.883	50	5		HHBAHM
O=C(COc1ccccc1)[N-]C(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000002864014	571306607	/nfs/dbraw/zinc/30/66/07/571306607.db2.gz	MUGSHCZNLAXEPH-UHFFFAOYSA-N	-1	3	414.468	3.610	50	5		HHBAHM
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/[N-]C(=O)N(c3ccccc3)C2=O)o1	ZINC000001160998	568775158	/nfs/dbraw/zinc/77/51/58/568775158.db2.gz	UHCKKBZHZRQNBD-SFQUDFHCSA-N	-1	3	405.366	3.961	50	5		HHBAHM
Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1cc(Br)ccc1[O-]	ZINC000002885048	568814347	/nfs/dbraw/zinc/81/43/47/568814347.db2.gz	NGTIZFJHKJTDKF-UHFFFAOYSA-N	-1	3	417.647	3.640	50	5		HHBAHM
CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc([N+](=O)[O-])cc2)CCO1	ZINC000005862073	568826518	/nfs/dbraw/zinc/82/65/18/568826518.db2.gz	YBXIMSUDUZZIGS-CZUORRHYSA-N	-1	3	418.475	3.639	50	5		HHBAHM
O=C([N-]c1nc2ccc([N+](=O)[O-])cc2s1)c1cc2c(nc3ccccn3c2=O)s1	ZINC000015441485	568886184	/nfs/dbraw/zinc/88/61/84/568886184.db2.gz	FWDXDATZHGMWTA-UHFFFAOYSA-N	-1	3	423.435	3.679	50	5		HHBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1ccccc1	ZINC000137606085	569033471	/nfs/dbraw/zinc/03/34/71/569033471.db2.gz	OBTZGXKXSUAATG-PCCBWWKXSA-N	-1	3	415.405	3.646	50	5		HHBAHM
O=[N+]([O-])c1cccc(Cl)c1NCC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000009720932	569393847	/nfs/dbraw/zinc/39/38/47/569393847.db2.gz	HLXKNCJXYZLVSL-UHFFFAOYSA-N	-1	3	424.693	3.945	50	5		HHBAHM
CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCC(C)CC3)c([O-])n2n1	ZINC000022853319	557840067	/nfs/dbraw/zinc/84/00/67/557840067.db2.gz	KZXPZDYKJFVUFB-INIZCTEOSA-N	-1	3	401.492	3.788	50	5		HHBAHM
Cc1cc([N+](=O)[O-])ccc1-n1c([O-])c2onc(-c3ccc(Cl)cc3Cl)c2c1O	ZINC000103559567	560843213	/nfs/dbraw/zinc/84/32/13/560843213.db2.gz	UXPXACRHAUOCOU-HOCLYGCPSA-N	-1	3	420.208	3.503	50	5		HHBAHM
Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3Cl)cc2F)c1	ZINC000096013508	568685457	/nfs/dbraw/zinc/68/54/57/568685457.db2.gz	ZBPNVONMXQWNHO-UHFFFAOYSA-N	-1	3	410.814	3.682	50	5		HHBAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@H]3CCCC[C@@H]3O)c([N+](=O)[O-])c2)c(C)c1	ZINC000058167272	568895439	/nfs/dbraw/zinc/89/54/39/568895439.db2.gz	QJSSXTOKKAQICS-ICSRJNTNSA-N	-1	3	419.503	3.728	50	5		HHBAHM
CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCC[C@H](C)C3)c([O-])n2n1	ZINC000036104730	569092712	/nfs/dbraw/zinc/09/27/12/569092712.db2.gz	HXNJHMNIUSWTLS-BLLLJJGKSA-N	-1	3	401.492	3.788	50	5		HHBAHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000005094190	559244422	/nfs/dbraw/zinc/24/44/22/559244422.db2.gz	LGWZTUBTNDZURN-NJDAHSKKSA-N	-1	3	415.405	3.646	50	5		HHBAHM
CCOc1c([O-])ccc(/C=C2/C(=O)Nc3ccc(Br)cc32)c1[N+](=O)[O-]	ZINC000103688247	560843936	/nfs/dbraw/zinc/84/39/36/560843936.db2.gz	RRONYMSCJPMPER-KPKJPENVSA-N	-1	3	405.204	3.954	50	5		HHBAHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCSc2ccc(Cl)cc21	ZINC000029186829	568822208	/nfs/dbraw/zinc/82/22/08/568822208.db2.gz	IMKNOHFWTWEPOZ-CYBMUJFWSA-N	-1	3	414.892	3.772	50	5		HHBAHM
O=[N+]([O-])C(=C[N-]c1ccc(C(F)(F)F)cn1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000006238625	557695452	/nfs/dbraw/zinc/69/54/52/557695452.db2.gz	LYOSLXHTFOTGSH-JYRVWZFOSA-N	-1	3	407.757	3.715	50	5		HHBAHM
O=c1[nH][n-]c(-c2ccccc2O)c1[C@@H](C[N+](=O)[O-])c1ccc(Br)cc1	ZINC000004649873	558957536	/nfs/dbraw/zinc/95/75/36/558957536.db2.gz	HOMJFGCSVMMSKO-ZDUSSCGKSA-N	-1	3	404.220	3.659	50	5		HHBAHM
O=C(Nc1cccc([O-])c1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1	ZINC000005049528	559235539	/nfs/dbraw/zinc/23/55/39/559235539.db2.gz	KVAVAQYAIJKSAP-MOSHPQCFSA-N	-1	3	403.394	3.710	50	5		HHBAHM
Cc1cc([N+](=O)[O-])ccc1-n1c([O-])c2onc(-c3ccc(Cl)cc3Cl)c2c1O	ZINC000101050900	560767764	/nfs/dbraw/zinc/76/77/64/560767764.db2.gz	UXPXACRHAUOCOU-ZBFHGGJFSA-N	-1	3	420.208	3.503	50	5		HHBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1ccccc1	ZINC000102715457	560823119	/nfs/dbraw/zinc/82/31/19/560823119.db2.gz	OBTZGXKXSUAATG-PWRODBHTSA-N	-1	3	415.405	3.646	50	5		HHBAHM
CCOC(=O)c1c2c(sc1[N-]C(=O)c1nn(CC)cc1[N+](=O)[O-])C[C@H](CC)CC2	ZINC000002731046	568804853	/nfs/dbraw/zinc/80/48/53/568804853.db2.gz	FTSPFQYHYBISCF-LLVKDONJSA-N	-1	3	420.491	3.817	50	5		HHBAHM
O=c1[nH]c2cc3c(cc2cc1-c1c2c[nH]nc2nc2c4ccc([O-])cc4oc21)OCO3	ZINC000217725603	569039062	/nfs/dbraw/zinc/03/90/62/569039062.db2.gz	AIZYDUCVGQZSBV-UHFFFAOYSA-N	-1	3	412.361	3.800	50	5	biogenic	HHBAHM
CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000001903784	569057767	/nfs/dbraw/zinc/05/77/67/569057767.db2.gz	GPCUZDFYFYWDBQ-UHFFFAOYSA-N	-1	3	421.387	3.505	50	5		HHBAHM
Cc1[nH]c2c(cccc2C)c1CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000004580907	558767141	/nfs/dbraw/zinc/76/71/41/558767141.db2.gz	XXDDGURLPFZQND-UHFFFAOYSA-N	-1	3	407.879	3.867	50	5		HHBAHM
Cc1[nH]c2ccc(C)cc2c1CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000004594445	558832107	/nfs/dbraw/zinc/83/21/07/558832107.db2.gz	MSDGEQMGANJYMF-UHFFFAOYSA-N	-1	3	407.879	3.867	50	5		HHBAHM
Cc1ccc(OCc2cccc(C(=O)N3NC=C[C@]3([O-])C(F)(F)F)c2)c([N+](=O)[O-])c1	ZINC000013960381	559014414	/nfs/dbraw/zinc/01/44/14/559014414.db2.gz	CRWIWYOQBWEPNO-SFHVURJKSA-N	-1	3	423.347	3.565	50	5		HHBAHM
COc1ccc(/C=C/C(=O)NC(=S)[N-]c2c(C)cc(C)cc2[N+](=O)[O-])cc1OC	ZINC000003878135	568928282	/nfs/dbraw/zinc/92/82/82/568928282.db2.gz	PBUVTJMRDSTHAB-SOFGYWHQSA-N	-1	3	415.471	3.755	50	5		HHBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1	ZINC000169685016	569132784	/nfs/dbraw/zinc/13/27/84/569132784.db2.gz	FKTXAJQBICUBOF-PCCBWWKXSA-N	-1	3	415.405	3.646	50	5		HHBAHM
Cc1cc([N+](=O)[O-])ccc1-n1c([O-])c2onc(-c3ccc(Cl)cc3Cl)c2c1O	ZINC000009353587	571250698	/nfs/dbraw/zinc/25/06/98/571250698.db2.gz	UXPXACRHAUOCOU-GDBMZVCRSA-N	-1	3	420.208	3.503	50	5		HHBAHM
CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCC(C)CC3)c([O-])n2n1	ZINC000022853322	557839939	/nfs/dbraw/zinc/83/99/39/557839939.db2.gz	KZXPZDYKJFVUFB-MRXNPFEDSA-N	-1	3	401.492	3.788	50	5		HHBAHM
Cc1ccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2cccc([N+](=O)[O-])c2)cc1C	ZINC000005198315	559292152	/nfs/dbraw/zinc/29/21/52/559292152.db2.gz	DHOXQVKPYSEIGW-UHFFFAOYSA-N	-1	3	414.421	3.972	50	5		HHBAHM
CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2ccc([N+](=O)[O-])cc2)CCO1	ZINC000005862217	568826476	/nfs/dbraw/zinc/82/64/76/568826476.db2.gz	YBXIMSUDUZZIGS-BBRMVZONSA-N	-1	3	418.475	3.639	50	5		HHBAHM
CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCC[C@@H](C)C3)c([O-])n2n1	ZINC000015391742	568885240	/nfs/dbraw/zinc/88/52/40/568885240.db2.gz	HXNJHMNIUSWTLS-WBMJQRKESA-N	-1	3	401.492	3.788	50	5		HHBAHM
O=C1[C@@H]2C(=C([O-])N1c1cccc([N+](=O)[O-])c1)ON(c1ccccc1)[C@H]2c1cccs1	ZINC000170620710	569248837	/nfs/dbraw/zinc/24/88/37/569248837.db2.gz	DKUPHKMYSNNQSX-GBESFXJTSA-N	-1	3	421.434	3.707	50	5		HHBAHM
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Sc1nnc(C(F)(F)F)[n-]1	ZINC000013656640	558850539	/nfs/dbraw/zinc/85/05/39/558850539.db2.gz	VMGMYZKRAXHYGD-UHFFFAOYSA-N	-1	3	403.220	3.810	50	5		HHBAHM
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Sc1nc(C(F)(F)F)n[n-]1	ZINC000013656640	558850541	/nfs/dbraw/zinc/85/05/41/558850541.db2.gz	VMGMYZKRAXHYGD-UHFFFAOYSA-N	-1	3	403.220	3.810	50	5		HHBAHM
C[C@@H](Sc1nc2ccccc2c(=O)[n-]1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000005896434	568828627	/nfs/dbraw/zinc/82/86/27/568828627.db2.gz	NGOFQBPYZWCESI-SECBINFHSA-N	-1	3	404.835	3.604	50	5		HHBAHM
COc1ccc(C(=O)[N-]c2nc(SCc3ccccc3)ns2)cc1[N+](=O)[O-]	ZINC000005936584	568830308	/nfs/dbraw/zinc/83/03/08/568830308.db2.gz	DGIWVBXJOGAUND-UHFFFAOYSA-N	-1	3	402.457	4.000	50	5		HHBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1cccs1	ZINC000169688906	569135646	/nfs/dbraw/zinc/13/56/46/569135646.db2.gz	NHKZQPFXZRNZHB-GBESFXJTSA-N	-1	3	421.434	3.707	50	5		HHBAHM
CCCOC(=O)c1c(C)c(C(=O)OC)sc1[N-]C(=O)c1ccccc1[N+](=O)[O-]	ZINC000002101689	569281272	/nfs/dbraw/zinc/28/12/72/569281272.db2.gz	GODRPULDMWJCAH-UHFFFAOYSA-N	-1	3	406.416	3.570	50	5		HHBAHM
O=C1[C@H]2C(=C([O-])N1c1cccc([N+](=O)[O-])c1)ON(c1ccccc1)[C@@H]2c1cccs1	ZINC000008741606	571110390	/nfs/dbraw/zinc/11/03/90/571110390.db2.gz	DKUPHKMYSNNQSX-GUDVDZBRSA-N	-1	3	421.434	3.707	50	5		HHBAHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1csc(-c2ccc(Cl)cc2)n1	ZINC000009569540	571268590	/nfs/dbraw/zinc/26/85/90/571268590.db2.gz	WZFJEGFBFSYJFU-UHFFFAOYSA-N	-1	3	423.903	3.893	50	5		HHBAHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccccc1	ZINC000229868069	568715707	/nfs/dbraw/zinc/71/57/07/568715707.db2.gz	KLSOIPVTUNNHBD-QHAWAJNXSA-N	-1	3	415.405	3.646	50	5		HHBAHM
COc1ccc(Cc2nnc([N-]C(=O)c3ccc([N+](=O)[O-])c(C)c3)s2)cc1OC	ZINC000001128560	568770868	/nfs/dbraw/zinc/77/08/68/568770868.db2.gz	VRMUSDJYNBSKBQ-UHFFFAOYSA-N	-1	3	414.443	3.615	50	5		HHBAHM
CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1ccccc1[O-]	ZINC000002875221	568814006	/nfs/dbraw/zinc/81/40/06/568814006.db2.gz	ZXQACBKUULCULJ-UHFFFAOYSA-N	-1	3	413.459	3.618	50	5		HHBAHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1	ZINC000011582353	569398623	/nfs/dbraw/zinc/39/86/23/569398623.db2.gz	FKTXAJQBICUBOF-QHAWAJNXSA-N	-1	3	415.405	3.646	50	5		HHBAHM
Cc1cc(OC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c([N+](=O)[O-])c(=O)[n-]1	ZINC000009599687	571272676	/nfs/dbraw/zinc/27/26/76/571272676.db2.gz	AKRQEEJLHZIXCS-UHFFFAOYSA-N	-1	3	410.226	3.848	50	5		HHBAHM
Cc1nc(N2CCOCC2)nc([N-]c2cc(C(F)(F)F)ccc2Cl)c1[N+](=O)[O-]	ZINC000008995441	132334638	/nfs/dbraw/zinc/33/46/38/132334638.db2.gz	OTHRZSWYNXAXGW-UHFFFAOYSA-N	-1	3	417.775	3.946	50	5		HHBAHM
CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCC[C@@H](C)C3)c([O-])n2n1	ZINC000015391743	568885249	/nfs/dbraw/zinc/88/52/49/568885249.db2.gz	HXNJHMNIUSWTLS-MLGOLLRUSA-N	-1	3	401.492	3.788	50	5		HHBAHM
O=C([N-]c1ccncc1NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc([N+](=O)[O-])s1	ZINC000009404973	571255267	/nfs/dbraw/zinc/25/52/67/571255267.db2.gz	GPRPGGHRAMTZIJ-UHFFFAOYSA-N	-1	3	419.400	3.526	50	5		HHBAHM
Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1cc(F)ccc1[O-]	ZINC000225767593	568781114	/nfs/dbraw/zinc/78/11/14/568781114.db2.gz	RGONFQXPLOFSNK-UHFFFAOYSA-N	-1	3	416.146	3.605	50	5		HHBAHM
C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1	ZINC000028044849	568778372	/nfs/dbraw/zinc/77/83/72/568778372.db2.gz	PQGQTXCJEMEUBU-NSHDSACASA-N	-1	3	423.878	3.636	50	5		HHBAHM
O=c1c2c[n-]nc2nc(SCc2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1	ZINC000003014423	568838339	/nfs/dbraw/zinc/83/83/39/568838339.db2.gz	KCQMEVOBIWUESY-UHFFFAOYSA-N	-1	3	413.846	3.963	50	5		HHBAHM
O=c1c2cn[n-]c2nc(SCc2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1	ZINC000003014423	568838341	/nfs/dbraw/zinc/83/83/41/568838341.db2.gz	KCQMEVOBIWUESY-UHFFFAOYSA-N	-1	3	413.846	3.963	50	5		HHBAHM
COc1ccccc1-c1csc([N-]C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1	ZINC000003268313	568870142	/nfs/dbraw/zinc/87/01/42/568870142.db2.gz	LQWCAIGQTQIITA-UHFFFAOYSA-N	-1	3	400.372	3.887	50	5		HHBAHM
COC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])s2)sc2c1CC(C)(C)NC2(C)C	ZINC000009639656	571275512	/nfs/dbraw/zinc/27/55/12/571275512.db2.gz	GUHSQMJUPDUTJO-UHFFFAOYSA-N	-1	3	423.516	3.916	50	5		HHBAHM
CC(C)c1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c([O-])c(C(C)C)c1	ZINC000032817430	519831643	/nfs/dbraw/zinc/83/16/43/519831643.db2.gz	FEOUWJMWFJYFRV-UHFFFAOYSA-N	-1	3	412.490	3.905	50	5		HHBAHM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCOc2cccc(C(F)(F)F)c2)c1	ZINC000023143583	559020938	/nfs/dbraw/zinc/02/09/38/559020938.db2.gz	JMMBPZBJQMFPHA-UHFFFAOYSA-N	-1	3	424.784	3.624	50	5		HHBAHM
COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c([N-]c3ccccc3F)n2)c1	ZINC000005053303	559237352	/nfs/dbraw/zinc/23/73/52/559237352.db2.gz	XRYIXFHSOUNQNE-UHFFFAOYSA-N	-1	3	400.370	3.611	50	5		HHBAHM
COC(=O)c1c([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])sc2c1CC[C@@H](C(C)(C)C)C2	ZINC000000669151	568460409	/nfs/dbraw/zinc/46/04/09/568460409.db2.gz	ADXBSLKLDAUBRG-SNVBAGLBSA-N	-1	3	420.491	3.580	50	5		HHBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000226983776	568825860	/nfs/dbraw/zinc/82/58/60/568825860.db2.gz	LGWZTUBTNDZURN-PCCBWWKXSA-N	-1	3	415.405	3.646	50	5		HHBAHM
COc1ccc([N+](=O)[O-])c([N-]C(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)c1	ZINC000006933372	569184253	/nfs/dbraw/zinc/18/42/53/569184253.db2.gz	ZCTMTKLCUVFVJQ-UHFFFAOYSA-N	-1	3	404.810	3.964	50	5		HHBAHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cccc(COCc2ccccc2)c1	ZINC000032441991	527406076	/nfs/dbraw/zinc/40/60/76/527406076.db2.gz	VZUNIACGGKNEDX-UHFFFAOYSA-N	-1	3	412.467	3.790	50	5		HHBAHM
CCCOc1ccc(-c2nc3cc4c(cc3[n-]2)[n+]([O-])c2ccccc2[n+]4[O-])cc1OC	ZINC000005318685	557644638	/nfs/dbraw/zinc/64/46/38/557644638.db2.gz	VALNXHNLYJXRFZ-UHFFFAOYSA-N	-1	3	416.437	3.601	50	5		HHBAHM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCSc2ccc(Cl)cc21	ZINC000029186831	568822178	/nfs/dbraw/zinc/82/21/78/568822178.db2.gz	IMKNOHFWTWEPOZ-ZDUSSCGKSA-N	-1	3	414.892	3.772	50	5		HHBAHM
O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2C(=O)N1c1ccc([O-])cc1	ZINC000003195703	568860864	/nfs/dbraw/zinc/86/08/64/568860864.db2.gz	XMMXAVXYXCMDDI-UHFFFAOYSA-N	-1	3	421.321	3.802	50	5		HHBAHM
COc1ccc(C(=O)[N-]c2nnc(CSc3ccccc3)s2)cc1[N+](=O)[O-]	ZINC000009095414	569391589	/nfs/dbraw/zinc/39/15/89/569391589.db2.gz	LKSCKRBMLMPXHQ-UHFFFAOYSA-N	-1	3	402.457	4.000	50	5		HHBAHM
C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1	ZINC000028044847	568778410	/nfs/dbraw/zinc/77/84/10/568778410.db2.gz	PQGQTXCJEMEUBU-LLVKDONJSA-N	-1	3	423.878	3.636	50	5		HHBAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@H]3CCCC[C@H]3O)c([N+](=O)[O-])c2)c(C)c1	ZINC000058167274	568895407	/nfs/dbraw/zinc/89/54/07/568895407.db2.gz	QJSSXTOKKAQICS-AZUAARDMSA-N	-1	3	419.503	3.728	50	5		HHBAHM
CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCC[C@H](C)C3)c([O-])n2n1	ZINC000036104732	569092699	/nfs/dbraw/zinc/09/26/99/569092699.db2.gz	HXNJHMNIUSWTLS-LRDDRELGSA-N	-1	3	401.492	3.788	50	5		HHBAHM
CCOc1ccc(NC(=O)CSc2n[n-]c(-c3cccs3)n2)c([N+](=O)[O-])c1	ZINC000009613259	571273855	/nfs/dbraw/zinc/27/38/55/571273855.db2.gz	GFZAQDAIPISQLC-UHFFFAOYSA-N	-1	3	405.461	3.571	50	5		HHBAHM
Cc1ccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000005198531	559292252	/nfs/dbraw/zinc/29/22/52/559292252.db2.gz	KMGRKPGTZSUXKQ-UHFFFAOYSA-N	-1	3	400.394	3.664	50	5		HHBAHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCSCc1c(F)cccc1Cl	ZINC000002813505	568812273	/nfs/dbraw/zinc/81/22/73/568812273.db2.gz	KWXFWFOLSVQADA-UHFFFAOYSA-N	-1	3	404.872	3.599	50	5		HHBAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@@H]3CCCC[C@H]3O)c([N+](=O)[O-])c2)c(C)c1	ZINC000058167273	568895494	/nfs/dbraw/zinc/89/54/94/568895494.db2.gz	QJSSXTOKKAQICS-UYAOXDASSA-N	-1	3	419.503	3.728	50	5		HHBAHM
O=[N+]([O-])c1ccc(Nc2cc(Nc3cccc(O)c3)c3nonc3c2[N+](=O)[O-])c([O-])c1	ZINC000016513097	569058338	/nfs/dbraw/zinc/05/83/38/569058338.db2.gz	HFBWRVRWOWDQHQ-UHFFFAOYSA-N	-1	3	424.329	3.938	50	5		HHBAHM
O=[N+]([O-])c1ccc(Nc2cc(Nc3ccccc3O)c3nonc3c2[N+](=O)[O-])c([O-])c1	ZINC000016513092	569058352	/nfs/dbraw/zinc/05/83/52/569058352.db2.gz	ANHSDYNJHLNYDF-UHFFFAOYSA-N	-1	3	424.329	3.938	50	5		HHBAHM
COc1ccc(OC)c(Nc2nc([N-]c3ccccc3F)nc(N)c2[N+](=O)[O-])c1	ZINC000009245225	569391956	/nfs/dbraw/zinc/39/19/56/569391956.db2.gz	WYNZTCZCMWWKMJ-UHFFFAOYSA-N	-1	3	400.370	3.611	50	5		HHBAHM