smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)sc2c1CCCC2	ZINC000014401703	559165595	/nfs/dbraw/zinc/16/55/95/559165595.db2.gz	KWXSKWOAHBMILA-UHFFFAOYSA-N	-1	0	410.473	3.431	40	5		HGBBRM
COc1ccc(-c2ccc(CCC(=O)[O-])n2NC(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000408559707	559217300	/nfs/dbraw/zinc/21/73/00/559217300.db2.gz	BJDZVADLQHBPER-UHFFFAOYSA-N	-1	0	409.398	3.473	40	5		HGBBRM
Cc1ccc([C@H](CCC(=O)[O-])N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1	ZINC000408608091	559221331	/nfs/dbraw/zinc/22/13/31/559221331.db2.gz	MREBLIRJHCINON-FQEVSTJZSA-N	-1	0	411.458	3.267	40	5		HGBBRM
COc1ccc(-c2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])o2)c([N+](=O)[O-])c1	ZINC000409317028	559247540	/nfs/dbraw/zinc/24/75/40/559247540.db2.gz	OEFWXXMLOMCHRW-UTCJRWHESA-N	-1	0	400.303	3.143	40	5		HGBBRM
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc([O-])c([N+](=O)[O-])c3)C2=O)cc1	ZINC000408964874	560658966	/nfs/dbraw/zinc/65/89/66/560658966.db2.gz	SXVIHAAOYRDDHB-SXGWCWSVSA-N	-1	0	413.411	3.284	40	5		HGBBRM
O=C([O-])CN1C(=O)S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O	ZINC000409144003	560684359	/nfs/dbraw/zinc/68/43/59/560684359.db2.gz	OZLVJPNEGZVCIY-CXUHLZMHSA-N	-1	0	414.395	3.295	40	5		HGBBRM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2c3ccccc3c([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000104201910	560849722	/nfs/dbraw/zinc/84/97/22/560849722.db2.gz	LDRXPMDFIZFIDJ-UHFFFAOYSA-N	-1	0	418.343	3.365	40	5		HGBBRM
COc1ccc(C(=O)OC(C)C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000223653148	569030835	/nfs/dbraw/zinc/03/08/35/569030835.db2.gz	XGUXCJYICKZTHY-UHFFFAOYSA-N	-1	0	408.432	3.278	40	5		HGBBRM
O=C([O-])c1cc(Cl)ccc1NC(=S)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000016399711	569041118	/nfs/dbraw/zinc/04/11/18/569041118.db2.gz	IQARFDSAQSNBMI-QPJJXVBHSA-N	-1	0	405.819	3.473	40	5		HGBBRM
O=C([O-])CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225026898	569323703	/nfs/dbraw/zinc/32/37/03/569323703.db2.gz	QMEKUNVQOUGFHI-UHFFFAOYSA-N	-1	0	405.215	3.182	40	5		HGBBRM
O=C(CN1C(=O)S/C(=C\c2cccc(F)c2)C1=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000016920791	569267438	/nfs/dbraw/zinc/26/74/38/569267438.db2.gz	LZUCMPAXQBDTLU-CHHVJCJISA-N	-1	0	417.374	3.115	40	5		HGBBRM
O=C([O-])CN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000224763547	569288514	/nfs/dbraw/zinc/28/85/14/569288514.db2.gz	PGHJTDCOQGJRAI-UHFFFAOYSA-N	-1	0	420.443	3.196	40	5		HGBBRM
CCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])cc2C)cc1[N+](=O)[O-]	ZINC000085342960	520902248	/nfs/dbraw/zinc/90/22/48/520902248.db2.gz	KTOGGWQTEKKSJM-UHFFFAOYSA-N	-1	0	403.416	3.127	40	5		HGBBRM
O=C(c1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCCCCC1	ZINC000408630430	559222992	/nfs/dbraw/zinc/22/29/92/559222992.db2.gz	UNAPQYAHZANVNM-UHFFFAOYSA-N	-1	0	403.460	3.412	40	5		HGBBRM
Cn1c(SCC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)nnc1-c1ccccc1Cl	ZINC000409154371	559242306	/nfs/dbraw/zinc/24/23/06/559242306.db2.gz	NVMNAVFGDQJLEX-UHFFFAOYSA-N	-1	0	419.850	3.480	40	5		HGBBRM
Cc1cccc(OCc2nn(CC(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)c(=S)o2)c1	ZINC000409150714	559242427	/nfs/dbraw/zinc/24/24/27/559242427.db2.gz	DJPVHFMOPYLHEV-UHFFFAOYSA-N	-1	0	416.415	3.346	40	5		HGBBRM
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc(Br)c1OC	ZINC000409350689	559247975	/nfs/dbraw/zinc/24/79/75/559247975.db2.gz	YUBSFUCANCSIMB-PLNGDYQASA-N	-1	0	412.196	3.136	40	5		HGBBRM
O=C([O-])c1ccc(Cl)c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1	ZINC000020142671	568590324	/nfs/dbraw/zinc/59/03/24/568590324.db2.gz	OEPUUVOWUHDUQN-UHFFFAOYSA-N	-1	0	405.794	3.035	40	5		HGBBRM
COC(=O)c1c([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)sc2c1CCCC2	ZINC000020452091	568608795	/nfs/dbraw/zinc/60/87/95/568608795.db2.gz	PWKAEDSMGHLMAW-UHFFFAOYSA-N	-1	0	410.473	3.264	40	5		HGBBRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C	ZINC000225707886	568779328	/nfs/dbraw/zinc/77/93/28/568779328.db2.gz	KMIRRZHWVDRFES-UHFFFAOYSA-N	-1	0	423.472	3.362	40	5		HGBBRM
O=C([O-])CN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000225016026	569323537	/nfs/dbraw/zinc/32/35/37/569323537.db2.gz	GGASHHTUIWRLNA-UHFFFAOYSA-N	-1	0	420.443	3.196	40	5		HGBBRM
O=C([O-])c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c([N+](=O)[O-])c1	ZINC000005590441	132307008	/nfs/dbraw/zinc/30/70/08/132307008.db2.gz	VPWIHHTWBLQFPY-UHFFFAOYSA-N	-1	0	406.782	3.181	40	5		HGBBRM
O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000032119067	526967705	/nfs/dbraw/zinc/96/77/05/526967705.db2.gz	GLKVCYCWPMOFPM-UHFFFAOYSA-N	-1	0	416.242	3.499	40	5		HGBBRM
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])S2)cc1	ZINC000408785412	559227720	/nfs/dbraw/zinc/22/77/20/559227720.db2.gz	XEVIMEQFEVXVPP-CQYSBYMNSA-N	-1	0	416.415	3.371	40	5		HGBBRM
O=C(CN1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2[O-])C1=O)Nc1ccccc1F	ZINC000408931250	559232313	/nfs/dbraw/zinc/23/23/13/559232313.db2.gz	IZVRNBSFIKIEDR-ZSOIEALJSA-N	-1	0	417.374	3.115	40	5		HGBBRM
O=C(CSc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1[N+](=O)[O-])Nc1ccccc1	ZINC000408994572	560663156	/nfs/dbraw/zinc/66/31/56/560663156.db2.gz	ZSFSZSJBUVQBAT-CXAGYDPISA-N	-1	0	419.484	3.114	40	5		HGBBRM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-]	ZINC000017320484	569289049	/nfs/dbraw/zinc/28/90/49/569289049.db2.gz	UOTVIJHXDWDUBN-UHFFFAOYSA-N	-1	0	403.460	3.330	40	5		HGBBRM
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)[O-])S(=O)(=O)c1ccc2ccccc2c1	ZINC000225061624	569324787	/nfs/dbraw/zinc/32/47/87/569324787.db2.gz	BXPIVISAPRSXND-UHFFFAOYSA-N	-1	0	400.412	3.336	40	5		HGBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cn(Cc3ccccc3F)c3ccccc23)[nH]1	ZINC000006423084	569332070	/nfs/dbraw/zinc/33/20/70/569332070.db2.gz	AKHNXKHNVMSLTR-MDZDMXLPSA-N	-1	0	406.373	3.284	40	5		HGBBRM
O=C([O-])CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000113883507	569393295	/nfs/dbraw/zinc/39/32/95/569393295.db2.gz	VETNENWZGKLMAI-UHFFFAOYSA-N	-1	0	405.215	3.182	40	5		HGBBRM
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(OC)c([O-])c([N+](=O)[O-])c3)S2)cc1	ZINC000019594115	569424024	/nfs/dbraw/zinc/42/40/24/569424024.db2.gz	WWPWXHXKFQUHKZ-NXIIHZOPSA-N	-1	0	401.444	3.471	40	5		HGBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1ccc(C)cc1	ZINC000034719115	557015841	/nfs/dbraw/zinc/01/58/41/557015841.db2.gz	GLAIRPVSIUHLHR-WEVVVXLNSA-N	-1	0	423.381	3.090	40	5		HGBBRM
O=C(Cn1nc(COc2ccccc2)oc1=S)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000409163969	559243338	/nfs/dbraw/zinc/24/33/38/559243338.db2.gz	ALQJQQPTEUZYHG-UHFFFAOYSA-N	-1	0	402.388	3.037	40	5		HGBBRM
O=C(CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2[O-])C1=O)Nc1cccc(F)c1	ZINC000409239588	559246677	/nfs/dbraw/zinc/24/66/77/559246677.db2.gz	ZKQJXKCXAWFSIM-VGOFMYFVSA-N	-1	0	417.374	3.115	40	5		HGBBRM
COc1ccc(C)cc1NC1NC(=O)/C(=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)S1	ZINC000408801132	560642466	/nfs/dbraw/zinc/64/24/66/560642466.db2.gz	UBZQOMREMXSUKK-UHFFFAOYSA-N	-1	0	416.435	3.389	40	5		HGBBRM
Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cccc([N+](=O)[O-])c3[O-])C2=O)c1	ZINC000408931522	560655026	/nfs/dbraw/zinc/65/50/26/560655026.db2.gz	MRXBNKOCPZSXSG-DHDCSXOGSA-N	-1	0	413.411	3.284	40	5		HGBBRM
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1	ZINC000020481536	568612470	/nfs/dbraw/zinc/61/24/70/568612470.db2.gz	APMFSYAYVXTLMW-IZZDOVSWSA-N	-1	0	424.438	3.443	40	5		HGBBRM
CCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000016693011	569070528	/nfs/dbraw/zinc/07/05/28/569070528.db2.gz	PPPWFRGQZKGPEA-UHFFFAOYSA-N	-1	0	423.834	3.472	40	5		HGBBRM
COC(=O)c1c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)sc2c1CCCC2	ZINC000006362253	569331744	/nfs/dbraw/zinc/33/17/44/569331744.db2.gz	ZHMFGMDAPOCKIF-UHFFFAOYSA-N	-1	0	410.473	3.431	40	5		HGBBRM
O=C([O-])c1ccccc1S[C@H]1CC(=O)N(c2ccc(Cl)c([N+](=O)[O-])c2)C1=O	ZINC000009870417	569394348	/nfs/dbraw/zinc/39/43/48/569394348.db2.gz	OLESTMQPEVKURT-AWEZNQCLSA-N	-1	0	406.803	3.371	40	5		HGBBRM
O=C([O-])c1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1	ZINC000020142868	526370377	/nfs/dbraw/zinc/37/03/77/526370377.db2.gz	ZVMQZEWXUOURHH-UHFFFAOYSA-N	-1	0	405.794	3.035	40	5		HGBBRM
CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409097649	560676006	/nfs/dbraw/zinc/67/60/06/560676006.db2.gz	NBFHOIBOXRSCAS-AWNIVKPZSA-N	-1	0	403.778	3.450	40	5		HGBBRM
O=C1c2ccccc2N[C@H](c2cccc([N+](=O)[O-])c2)N1[N-]S(=O)(=O)c1ccccc1	ZINC000020530112	568625832	/nfs/dbraw/zinc/62/58/32/568625832.db2.gz	UYVFAJZCBJFSBZ-IBGZPJMESA-N	-1	0	424.438	3.055	40	5		HGBBRM
O=C(CN1C(=O)S/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O)Nc1ccccc1F	ZINC000034910324	568832469	/nfs/dbraw/zinc/83/24/69/568832469.db2.gz	VOUUTNIAPXTDBA-NVNXTCNLSA-N	-1	0	417.374	3.115	40	5		HGBBRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(Br)ccc1OC	ZINC000016099643	569028894	/nfs/dbraw/zinc/02/88/94/569028894.db2.gz	XLDGVSQVKLPAFX-UHFFFAOYSA-N	-1	0	417.237	3.175	40	5		HGBBRM
COc1ccc(C(=O)OC(C)C)cc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000223644707	569030696	/nfs/dbraw/zinc/03/06/96/569030696.db2.gz	XLVASERPHPCRNY-UHFFFAOYSA-N	-1	0	408.432	3.278	40	5		HGBBRM
COc1ccc2c3nccc4c5cc(O[C@@H](C)C(=O)[O-])ccc5n(c43)c(=O)c2c1OC	ZINC000020759051	569064628	/nfs/dbraw/zinc/06/46/28/569064628.db2.gz	WYUCRCPROVFQMJ-NSHDSACASA-N	-1	0	418.405	3.461	40	5	biogenic	HGBBRM
Cc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3[O-])C2=O)cc1	ZINC000016921105	569267414	/nfs/dbraw/zinc/26/74/14/569267414.db2.gz	YSGBZSGLAUKVNE-PXNMLYILSA-N	-1	0	413.411	3.284	40	5		HGBBRM
Cc1c(N(CC(=O)[O-])S(=O)(=O)c2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-]	ZINC000224940478	569297109	/nfs/dbraw/zinc/29/71/09/569297109.db2.gz	YHJZLJIFOLTQOO-UHFFFAOYSA-N	-1	0	419.242	3.490	40	5		HGBBRM
Cc1ccc(OCCOc2cccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])c2)cc1	ZINC000033880405	569351476	/nfs/dbraw/zinc/35/14/76/569351476.db2.gz	NWRCSGPMRYXTLI-JXMROGBWSA-N	-1	0	409.398	3.320	40	5		HGBBRM
CCCCn1c(=O)c2c([O-])c(I)c(=O)oc2c2ccccc21	ZINC000006757184	557719440	/nfs/dbraw/zinc/71/94/40/557719440.db2.gz	KQVHAKWFMXEAHF-UHFFFAOYSA-N	-1	0	411.195	3.218	40	5		HGBBRM
Cc1cc(I)ccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000033934444	560544512	/nfs/dbraw/zinc/54/45/12/560544512.db2.gz	LGPVXHMUXNOFRS-UHFFFAOYSA-N	-1	0	418.212	3.309	40	5		HGBBRM
O=C(NCc1ccco1)c1ccccc1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000020455399	568608769	/nfs/dbraw/zinc/60/87/69/568608769.db2.gz	JSUMGEFFQOWWRK-UHFFFAOYSA-N	-1	0	415.427	3.060	40	5		HGBBRM
O=C(c1ccccc1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)N1CCCCC1	ZINC000020483443	568612694	/nfs/dbraw/zinc/61/26/94/568612694.db2.gz	GMXLOZGKHKKQAW-UHFFFAOYSA-N	-1	0	403.460	3.163	40	5		HGBBRM
CCn1c(=O)c2c([O-])c(Br)c(=O)oc2c2cc(Br)ccc21	ZINC000016162794	569029510	/nfs/dbraw/zinc/02/95/10/569029510.db2.gz	BIBFAGHZLAGWCT-UHFFFAOYSA-N	-1	0	415.037	3.358	40	5		HGBBRM
O=C([O-])CN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225041455	569324652	/nfs/dbraw/zinc/32/46/52/569324652.db2.gz	FXBWQFYIAHLNAN-UHFFFAOYSA-N	-1	0	420.443	3.196	40	5		HGBBRM
O=C1N/C(=C/c2cc(Br)c([O-])c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1	ZINC000409221695	559245692	/nfs/dbraw/zinc/24/56/92/559245692.db2.gz	UYDYIOVCKKJYNS-NTUHNPAUSA-N	-1	0	418.203	3.156	40	5		HGBBRM
CCOc1cc(Br)c(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1OC	ZINC000409329704	559247858	/nfs/dbraw/zinc/24/78/58/559247858.db2.gz	HPMOQVVZUTWIBH-SNAWJCMRSA-N	-1	0	412.196	3.136	40	5		HGBBRM
CCCCOC(=O)CN1C(=O)S/C(=C\c2cc(OCC)c([O-])c([N+](=O)[O-])c2)C1=O	ZINC000409209926	560694516	/nfs/dbraw/zinc/69/45/16/560694516.db2.gz	HBDWLQPOEXSRBG-ZROIWOOFSA-N	-1	0	424.431	3.079	40	5		HGBBRM
O=C(CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000016920382	569267451	/nfs/dbraw/zinc/26/74/51/569267451.db2.gz	NSICKYVELAOYIB-CHHVJCJISA-N	-1	0	417.374	3.115	40	5		HGBBRM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1ccccc1	ZINC000033460050	569350554	/nfs/dbraw/zinc/35/05/54/569350554.db2.gz	VQOYYEQCFCAARY-CSKARUKUSA-N	-1	0	423.381	3.172	40	5		HGBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1ccccc1F	ZINC000032689352	521985607	/nfs/dbraw/zinc/98/56/07/521985607.db2.gz	LKIJFFOOBPMXBK-VURMDHGXSA-N	-1	0	413.361	3.281	40	5		HGBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)[nH]1	ZINC000409315659	559247558	/nfs/dbraw/zinc/24/75/58/559247558.db2.gz	WIAPMJQULIYOPL-JXMROGBWSA-N	-1	0	410.342	3.454	40	5		HGBBRM
CCOc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	ZINC000408916942	560653363	/nfs/dbraw/zinc/65/33/63/560653363.db2.gz	JDRDZQFEKBUGIB-OVCLIPMQSA-N	-1	0	417.805	3.406	40	5		HGBBRM
Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O	ZINC000408963124	560658675	/nfs/dbraw/zinc/65/86/75/560658675.db2.gz	MUFNXTSAEFCYIK-SXGWCWSVSA-N	-1	0	413.411	3.284	40	5		HGBBRM
COCCCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])C1=O	ZINC000409236665	560699155	/nfs/dbraw/zinc/69/91/55/560699155.db2.gz	SWBNSOKJSXBCAC-IZZDOVSWSA-N	-1	0	417.237	3.136	40	5		HGBBRM
O=C([O-])c1cccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000005898810	568828431	/nfs/dbraw/zinc/82/84/31/568828431.db2.gz	JNIORUUILGEDDK-FNORWQNLSA-N	-1	0	405.819	3.473	40	5		HGBBRM
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)ccc1[N+](=O)[O-]	ZINC000030864675	568897735	/nfs/dbraw/zinc/89/77/35/568897735.db2.gz	GEMAURYNUAGUBI-UHFFFAOYSA-N	-1	0	412.427	3.351	40	5		HGBBRM
O=C([O-])c1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1	ZINC000017093764	569273615	/nfs/dbraw/zinc/27/36/15/569273615.db2.gz	QVZREULILPUYGL-UHFFFAOYSA-N	-1	0	424.232	3.182	40	5		HGBBRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCC2)cc1[N+](=O)[O-]	ZINC000016121596	558772867	/nfs/dbraw/zinc/77/28/67/558772867.db2.gz	GARLIDRDVRCOLO-UHFFFAOYSA-N	-1	0	403.460	3.330	40	5		HGBBRM
O=C(CSc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1[N+](=O)[O-])Nc1ccccc1	ZINC000408994576	559235990	/nfs/dbraw/zinc/23/59/90/559235990.db2.gz	ZSFSZSJBUVQBAT-GUYCJALGSA-N	-1	0	419.484	3.114	40	5		HGBBRM
Cc1ccccc1OCc1nn(CC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c(=S)o1	ZINC000409171457	559243520	/nfs/dbraw/zinc/24/35/20/559243520.db2.gz	BQSPPOIZHJJVMW-UHFFFAOYSA-N	-1	0	416.415	3.346	40	5		HGBBRM
CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409222829	560698901	/nfs/dbraw/zinc/69/89/01/560698901.db2.gz	XTEUALHQHCGOOR-NTUHNPAUSA-N	-1	0	403.778	3.450	40	5		HGBBRM
COc1ccc(C(=O)Oc2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])cc2)cc1	ZINC000409319152	560709543	/nfs/dbraw/zinc/70/95/43/560709543.db2.gz	BCUIKMOQLDAXPN-WCIBSUBMSA-N	-1	0	409.354	3.194	40	5		HGBBRM
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1[N+](=O)[O-]	ZINC000020038231	568586781	/nfs/dbraw/zinc/58/67/81/568586781.db2.gz	BYEXPGDRHFNRSH-UHFFFAOYSA-N	-1	0	412.427	3.351	40	5		HGBBRM
O=C([O-])c1cc(Br)ccc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000016400885	569041128	/nfs/dbraw/zinc/04/11/28/569041128.db2.gz	QDQJRAHSYBTFDZ-UHFFFAOYSA-N	-1	0	424.232	3.182	40	5		HGBBRM
Cc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3[O-])C2=O)c1	ZINC000016921000	569267421	/nfs/dbraw/zinc/26/74/21/569267421.db2.gz	ZDRWKMSYWXVZRO-PXNMLYILSA-N	-1	0	413.411	3.284	40	5		HGBBRM
O=C([O-])c1ccccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000017093765	569274529	/nfs/dbraw/zinc/27/45/29/569274529.db2.gz	GEKCLZSBNIHOHI-UHFFFAOYSA-N	-1	0	424.232	3.182	40	5		HGBBRM
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-]	ZINC000224776204	569289037	/nfs/dbraw/zinc/28/90/37/569289037.db2.gz	IGJYVKSEMLNBFH-UHFFFAOYSA-N	-1	0	419.242	3.490	40	5		HGBBRM
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-]	ZINC000224786650	569289594	/nfs/dbraw/zinc/28/95/94/569289594.db2.gz	GCDUBKINOIANTA-UHFFFAOYSA-N	-1	0	419.242	3.490	40	5		HGBBRM
O=C([O-])CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225036413	569323527	/nfs/dbraw/zinc/32/35/27/569323527.db2.gz	UGIIKCCYLYNMJK-UHFFFAOYSA-N	-1	0	405.215	3.182	40	5		HGBBRM
C[C@@H](Sc1nnc(COc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)C(=O)[O-]	ZINC000005015008	559228351	/nfs/dbraw/zinc/22/83/51/559228351.db2.gz	IVVDFOIISIAHAA-GFCCVEGCSA-N	-1	0	400.416	3.320	40	5		HGBBRM
CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c1[O-]	ZINC000409245799	559246569	/nfs/dbraw/zinc/24/65/69/559246569.db2.gz	ZFGAXFIMEOHALT-RIYZIHGNSA-N	-1	0	403.778	3.450	40	5		HGBBRM
O=C([O-])c1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1Cl	ZINC000020142688	568590156	/nfs/dbraw/zinc/59/01/56/568590156.db2.gz	CWNOALKSFATBNF-UHFFFAOYSA-N	-1	0	405.794	3.035	40	5		HGBBRM
CCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000017093711	569273868	/nfs/dbraw/zinc/27/38/68/569273868.db2.gz	VAROFAKDDHINEI-UHFFFAOYSA-N	-1	0	423.834	3.472	40	5		HGBBRM
COc1ccc([N+](=O)[O-])cc1N(CC(=O)[O-])S(=O)(=O)c1ccc2ccccc2c1	ZINC000225060159	569324822	/nfs/dbraw/zinc/32/48/22/569324822.db2.gz	DSSZGHAHZQJDBW-UHFFFAOYSA-N	-1	0	416.411	3.037	40	5		HGBBRM
COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c(COc2ccccc2)n1	ZINC000408580177	559219337	/nfs/dbraw/zinc/21/93/37/559219337.db2.gz	AZKDXPUDFJTCEQ-UHFFFAOYSA-N	-1	0	415.431	3.031	40	5		HGBBRM
O=C([O-])CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000408603214	559220722	/nfs/dbraw/zinc/22/07/22/559220722.db2.gz	BMOWNDQNSYRCMI-LJQANCHMSA-N	-1	0	415.421	3.098	40	5		HGBBRM
O=[N+]([O-])c1ccc(COc2ccc(C=Cc3nc(O)c([N+](=O)[O-])c(O)n3)cc2)cc1	ZINC000409327938	559247881	/nfs/dbraw/zinc/24/78/81/559247881.db2.gz	NTBUEGKTCVTHCS-YHYXMXQVSA-N	-1	0	410.342	3.454	40	5		HGBBRM
O=C([O-])c1ccc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000409343769	560711938	/nfs/dbraw/zinc/71/19/38/560711938.db2.gz	IWSARAMTBMRRBV-SXGWCWSVSA-N	-1	0	412.379	3.212	40	5		HGBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])c1cc(Cl)ccc1Cl	ZINC000225079788	568612897	/nfs/dbraw/zinc/61/28/97/568612897.db2.gz	VLCFSXYZGQDUSX-UHFFFAOYSA-N	-1	0	419.242	3.490	40	5		HGBBRM
O=C([O-])c1ccccc1NC(=S)NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000005899408	568828415	/nfs/dbraw/zinc/82/84/15/568828415.db2.gz	OJVAARWJKICHCB-SOFGYWHQSA-N	-1	0	405.819	3.473	40	5		HGBBRM
O=C([O-])CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225036754	569323478	/nfs/dbraw/zinc/32/34/78/569323478.db2.gz	QELDDMVVJCIQSE-UHFFFAOYSA-N	-1	0	405.215	3.182	40	5		HGBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])c1cccc(Cl)c1Cl	ZINC000225089535	569325063	/nfs/dbraw/zinc/32/50/63/569325063.db2.gz	BMDIEXKKBHIWTP-UHFFFAOYSA-N	-1	0	419.242	3.490	40	5		HGBBRM
O=C([O-])CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000113883766	569393322	/nfs/dbraw/zinc/39/33/22/569393322.db2.gz	BNGXJQDHLZCTCG-UHFFFAOYSA-N	-1	0	405.215	3.182	40	5		HGBBRM
O=C(COc1ccccc1[N+](=O)[O-])NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000032119225	526995982	/nfs/dbraw/zinc/99/59/82/526995982.db2.gz	YAPWRNOLQPOPCB-UHFFFAOYSA-N	-1	0	416.242	3.499	40	5		HGBBRM
CCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC	ZINC000004580732	558767009	/nfs/dbraw/zinc/76/70/09/558767009.db2.gz	QAINEJUFVOVFCC-HNNXBMFYSA-N	-1	0	402.403	3.256	40	5		HGBBRM
Cc1ccc([C@@H](CCC(=O)[O-])N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1	ZINC000408608097	559221349	/nfs/dbraw/zinc/22/13/49/559221349.db2.gz	MREBLIRJHCINON-HXUWFJFHSA-N	-1	0	411.458	3.267	40	5		HGBBRM
Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3[O-])C2=O)c1	ZINC000408933198	559232609	/nfs/dbraw/zinc/23/26/09/559232609.db2.gz	IIPSIMASBGVFNO-SXGWCWSVSA-N	-1	0	413.411	3.284	40	5		HGBBRM
O=C([O-])CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C1=O	ZINC000409123864	559241052	/nfs/dbraw/zinc/24/10/52/559241052.db2.gz	ILTGZNMGBXINJK-CXUHLZMHSA-N	-1	0	414.395	3.295	40	5		HGBBRM
O=C1NC(=Cc2cc([N+](=O)[O-])cc(Br)c2[O-])C(=O)N1c1ccccc1	ZINC000409009026	560665845	/nfs/dbraw/zinc/66/58/45/560665845.db2.gz	QZDSPNCYHSVDOI-NTUHNPAUSA-N	-1	0	404.176	3.160	40	5		HGBBRM
O=C([O-])c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(I)c1	ZINC000409374833	560717091	/nfs/dbraw/zinc/71/70/91/560717091.db2.gz	AHLJAGYZKKSXFJ-UHFFFAOYSA-N	-1	0	412.139	3.150	40	5		HGBBRM
Cc1c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)cccc1[N+](=O)[O-]	ZINC000020491315	568613616	/nfs/dbraw/zinc/61/36/16/568613616.db2.gz	QFCPGYGTJWZLNM-UHFFFAOYSA-N	-1	0	412.427	3.351	40	5		HGBBRM
CCCn1c2ccc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3OC)cc2sc1=O	ZINC000225725675	568779728	/nfs/dbraw/zinc/77/97/28/568779728.db2.gz	QCZMRVVQPSIKCE-UHFFFAOYSA-N	-1	0	423.472	3.191	40	5		HGBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])c1ccc(C(F)(F)F)cc1	ZINC000225088206	569325117	/nfs/dbraw/zinc/32/51/17/569325117.db2.gz	DOQKSSNVWWSUIN-UHFFFAOYSA-N	-1	0	418.349	3.202	40	5		HGBBRM
Cc1ccc(Cn2cc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])c3ccccc32)cc1	ZINC000006415386	569332002	/nfs/dbraw/zinc/33/20/02/569332002.db2.gz	WYVQEISVTLLBNK-ZHACJKMWSA-N	-1	0	402.410	3.453	40	5		HGBBRM
CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC	ZINC000004580731	558766952	/nfs/dbraw/zinc/76/69/52/558766952.db2.gz	QAINEJUFVOVFCC-OAHLLOKOSA-N	-1	0	402.403	3.256	40	5		HGBBRM
O=C([O-])CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1	ZINC000408748633	559226431	/nfs/dbraw/zinc/22/64/31/559226431.db2.gz	BJMDVNSEZINFOV-UHFFFAOYSA-N	-1	0	415.408	3.182	40	5		HGBBRM
O=C1S/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000033652047	568698052	/nfs/dbraw/zinc/69/80/52/568698052.db2.gz	JHPYOKPTYDOYLW-NVNXTCNLSA-N	-1	0	401.356	3.445	40	5		HGBBRM
CC(C)(C)c1ccc(-c2noc(C[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])n2)cc1	ZINC000223581070	569030563	/nfs/dbraw/zinc/03/05/63/569030563.db2.gz	NAYSYONIVFXHAH-UHFFFAOYSA-N	-1	0	416.459	3.421	40	5		HGBBRM
O=C([O-])c1cc(Br)ccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000016399797	569041188	/nfs/dbraw/zinc/04/11/88/569041188.db2.gz	REEZSSPLJFSVEI-UHFFFAOYSA-N	-1	0	424.232	3.182	40	5		HGBBRM
Cc1ccc(OCCOc2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])cc2)cc1	ZINC000033779788	569351315	/nfs/dbraw/zinc/35/13/15/569351315.db2.gz	AMRUQLUBPSHNSV-IZZDOVSWSA-N	-1	0	409.398	3.320	40	5		HGBBRM
O=C([O-])CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000113883131	569393343	/nfs/dbraw/zinc/39/33/43/569393343.db2.gz	DOYJLKLJSJQHGZ-UHFFFAOYSA-N	-1	0	405.215	3.182	40	5		HGBBRM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)c1C	ZINC000013882931	558889489	/nfs/dbraw/zinc/88/94/89/558889489.db2.gz	JEBDBVUCWKUGFA-UHFFFAOYSA-N	-1	0	416.415	3.253	40	5		HGBBRM
O=C([O-])CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000408603208	559220701	/nfs/dbraw/zinc/22/07/01/559220701.db2.gz	BMOWNDQNSYRCMI-IBGZPJMESA-N	-1	0	415.421	3.098	40	5		HGBBRM
O=C([O-])CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1	ZINC000408751297	559226753	/nfs/dbraw/zinc/22/67/53/559226753.db2.gz	YWVQETFZMODMIW-UHFFFAOYSA-N	-1	0	415.408	3.182	40	5		HGBBRM
O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000100767318	560850853	/nfs/dbraw/zinc/85/08/53/560850853.db2.gz	XHVFBECDJUGMAD-GASCZTMLSA-N	-1	0	409.438	3.332	40	5		HGBBRM
O=C([O-])c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1Cl	ZINC000020142886	568590055	/nfs/dbraw/zinc/59/00/55/568590055.db2.gz	KKTFYUVKAXESAW-UHFFFAOYSA-N	-1	0	405.794	3.035	40	5		HGBBRM
O=C([O-])c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1Cl	ZINC000020142872	568590153	/nfs/dbraw/zinc/59/01/53/568590153.db2.gz	OXCJMBSYVJEAPK-UHFFFAOYSA-N	-1	0	405.794	3.035	40	5		HGBBRM
O=C1c2ccccc2N[C@@H](c2cccc([N+](=O)[O-])c2)N1[N-]S(=O)(=O)c1ccccc1	ZINC000020530114	568625842	/nfs/dbraw/zinc/62/58/42/568625842.db2.gz	UYVFAJZCBJFSBZ-LJQANCHMSA-N	-1	0	424.438	3.055	40	5		HGBBRM
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000006025811	568835391	/nfs/dbraw/zinc/83/53/91/568835391.db2.gz	GTGJLXXPMNVKKB-KPKJPENVSA-N	-1	0	424.438	3.443	40	5		HGBBRM
COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000016227703	569030070	/nfs/dbraw/zinc/03/00/70/569030070.db2.gz	ISXUCDSMWWGTGJ-UHFFFAOYSA-N	-1	0	409.807	3.082	40	5		HGBBRM
CC(C)c1ccc(-c2noc(C[N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1	ZINC000223590182	569030567	/nfs/dbraw/zinc/03/05/67/569030567.db2.gz	WFHJKBMTRMXIFZ-UHFFFAOYSA-N	-1	0	402.432	3.247	40	5		HGBBRM
O=C([O-])CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000225011254	569323305	/nfs/dbraw/zinc/32/33/05/569323305.db2.gz	LLMJBOJTJAGUQZ-UHFFFAOYSA-N	-1	0	405.215	3.182	40	5		HGBBRM
COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1-c1ccc(C(=O)[O-])o1	ZINC000226353905	559273632	/nfs/dbraw/zinc/27/36/32/559273632.db2.gz	WZQWCSHBRZXMJQ-UHFFFAOYSA-N	-1	0	418.383	3.362	40	5		HGBBRM
CCOc1cc(/C=C2\SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409211116	560695137	/nfs/dbraw/zinc/69/51/37/560695137.db2.gz	KVRWNKGPSKOADO-WULZRQGASA-N	-1	0	424.431	3.077	40	5		HGBBRM
COc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000106759647	560893686	/nfs/dbraw/zinc/89/36/86/560893686.db2.gz	QZPBFGZUNFYBJL-WJDWOHSUSA-N	-1	0	416.411	3.424	40	5		HGBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1	ZINC000216947077	568847613	/nfs/dbraw/zinc/84/76/13/568847613.db2.gz	FZTHIQGMJYBCCE-UHFFFAOYSA-N	-1	0	405.476	3.177	40	5		HGBBRM
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000030870478	568897971	/nfs/dbraw/zinc/89/79/71/568897971.db2.gz	ZZMHBKFXVBILBZ-AWNIVKPZSA-N	-1	0	424.438	3.443	40	5		HGBBRM
COc1ccc2c3nccc4c5cc(O[C@H](C)C(=O)[O-])ccc5n(c43)c(=O)c2c1OC	ZINC000020759055	569064616	/nfs/dbraw/zinc/06/46/16/569064616.db2.gz	WYUCRCPROVFQMJ-LLVKDONJSA-N	-1	0	418.405	3.461	40	5	biogenic	HGBBRM
O=C([O-])c1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1	ZINC000017089825	569274148	/nfs/dbraw/zinc/27/41/48/569274148.db2.gz	PWNRRDBQIQPFBB-UHFFFAOYSA-N	-1	0	414.443	3.020	40	5		HGBBRM
Cc1c(N(CC(=O)[O-])S(=O)(=O)c2ccc3ccccc3c2)cccc1[N+](=O)[O-]	ZINC000225062010	569324805	/nfs/dbraw/zinc/32/48/05/569324805.db2.gz	NPUGEUJALPFMOU-UHFFFAOYSA-N	-1	0	400.412	3.336	40	5		HGBBRM
O=C(Oc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1)c1ccc(Cl)cc1	ZINC000107836781	569353027	/nfs/dbraw/zinc/35/30/27/569353027.db2.gz	BKNXZYVIRZVSMW-XCVCLJGOSA-N	-1	0	413.773	3.014	40	5		HGBBRM
COc1ccc(Br)cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C	ZINC000007053324	523507955	/nfs/dbraw/zinc/50/79/55/523507955.db2.gz	VRBJNDUBPZDQBE-UHFFFAOYSA-N	-1	0	401.238	3.475	40	5		HGBBRM
Cc1ccc([C@@H](CCC(=O)[O-])N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1	ZINC000408610612	559221299	/nfs/dbraw/zinc/22/12/99/559221299.db2.gz	QPSNFDDDBQIDRO-LJQANCHMSA-N	-1	0	411.458	3.267	40	5		HGBBRM
Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)o1	ZINC000409161258	559243347	/nfs/dbraw/zinc/24/33/47/559243347.db2.gz	ZWVHTFWQYWTGTE-UHFFFAOYSA-N	-1	0	416.415	3.302	40	5		HGBBRM
O=C(CN1C(=O)S/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C1=O)Nc1cccc(F)c1	ZINC000409231770	559246704	/nfs/dbraw/zinc/24/67/04/559246704.db2.gz	MDYLCCYETNOOEQ-VIZOYTHASA-N	-1	0	417.374	3.115	40	5		HGBBRM
O=C1[N-]C(=O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)N1	ZINC000408917983	560654464	/nfs/dbraw/zinc/65/44/64/560654464.db2.gz	DSNYQKYRNXKUHK-RIYZIHGNSA-N	-1	0	418.203	3.117	40	5		HGBBRM
CCOc1ccc(/C=C2\SC(=O)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000408995487	560662611	/nfs/dbraw/zinc/66/26/11/560662611.db2.gz	JQUPICCCMLFPNU-WJDWOHSUSA-N	-1	0	413.411	3.375	40	5		HGBBRM
O=c1nc2n(-c3ccc(Cl)c(Cl)c3)c3ccc([N+](=O)[O-])cc3cc-2c(=O)[n-]1	ZINC000059497776	568708209	/nfs/dbraw/zinc/70/82/09/568708209.db2.gz	KDHQSXNRDOCPCK-UHFFFAOYSA-N	-1	0	403.181	3.394	40	5		HGBBRM
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000059014085	568881786	/nfs/dbraw/zinc/88/17/86/568881786.db2.gz	RSFKTOLQMQPMGM-UHFFFAOYSA-N	-1	0	418.456	3.033	40	5		HGBBRM
CC(C)(C)c1ccc(-c2noc(C[N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1	ZINC000223590252	569030581	/nfs/dbraw/zinc/03/05/81/569030581.db2.gz	CTFXTDAVRVVWDV-UHFFFAOYSA-N	-1	0	416.459	3.421	40	5		HGBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1cccc(C)c1	ZINC000033720168	569351123	/nfs/dbraw/zinc/35/11/23/569351123.db2.gz	MHEMUOGEVKBIHY-SOFGYWHQSA-N	-1	0	423.381	3.090	40	5		HGBBRM
COc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C	ZINC000216142411	558754276	/nfs/dbraw/zinc/75/42/76/558754276.db2.gz	QSRIJOKWJRTTPN-UHFFFAOYSA-N	-1	0	401.238	3.475	40	5		HGBBRM
O=C([O-])c1cccc(-c2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(CCCO)C4=O)c1	ZINC000408992806	559236011	/nfs/dbraw/zinc/23/60/11/559236011.db2.gz	CCWLWWSGCKOQDM-UHFFFAOYSA-N	-1	0	420.377	3.092	40	5		HGBBRM
COc1cc([N+](=O)[O-])ccc1-c1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])o1	ZINC000409316453	559247645	/nfs/dbraw/zinc/24/76/45/559247645.db2.gz	XUMUCYWEMSREBN-UTCJRWHESA-N	-1	0	400.303	3.143	40	5		HGBBRM
COc1ccc(-c2ccc(CCC(=O)[O-])n2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000408944960	560656506	/nfs/dbraw/zinc/65/65/06/560656506.db2.gz	JXSDDRGPHNJASB-UHFFFAOYSA-N	-1	0	409.398	3.473	40	5		HGBBRM
O=C(CSc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1[N+](=O)[O-])Nc1ccccc1	ZINC000408994577	560663123	/nfs/dbraw/zinc/66/31/23/560663123.db2.gz	ZSFSZSJBUVQBAT-SUMWQHHRSA-N	-1	0	419.484	3.114	40	5		HGBBRM
O=C([O-])c1cc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1Cl	ZINC000006882725	569166718	/nfs/dbraw/zinc/16/67/18/569166718.db2.gz	JTDJRSSWMRESEY-QPJJXVBHSA-N	-1	0	405.819	3.473	40	5		HGBBRM
Cc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2[O-])C1=O	ZINC000016920891	569267447	/nfs/dbraw/zinc/26/74/47/569267447.db2.gz	LNHHVNRNTQITLO-PXNMLYILSA-N	-1	0	413.411	3.284	40	5		HGBBRM
O=C([O-])c1cccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1	ZINC000017089821	569273744	/nfs/dbraw/zinc/27/37/44/569273744.db2.gz	KTSFAAJCCCFDDM-UHFFFAOYSA-N	-1	0	414.443	3.020	40	5		HGBBRM
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cccc(Cl)c2Cl)cc1[N+](=O)[O-]	ZINC000224787050	569289531	/nfs/dbraw/zinc/28/95/31/569289531.db2.gz	FATPINHHIBEXHD-UHFFFAOYSA-N	-1	0	419.242	3.490	40	5		HGBBRM
O=C([O-])COc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O	ZINC000215027408	569323949	/nfs/dbraw/zinc/32/39/49/569323949.db2.gz	LOFMFWATVGELIV-CXUHLZMHSA-N	-1	0	414.395	3.295	40	5		HGBBRM
COc1ccc(S(=O)(=O)[N-]c2c3ccccc3c([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000005395377	560578953	/nfs/dbraw/zinc/57/89/53/560578953.db2.gz	JHHWBYQRZKAYDO-UHFFFAOYSA-N	-1	0	403.372	3.466	40	5		HGBBRM
O=C([O-])CN1C(=O)S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000409129765	560681629	/nfs/dbraw/zinc/68/16/29/560681629.db2.gz	MEKZSGHLESFYJF-CXUHLZMHSA-N	-1	0	414.395	3.295	40	5		HGBBRM
O=C1N/C(=C/c2cccc([N+](=O)[O-])c2[O-])C(=O)N1Cc1ccc(Br)cc1	ZINC000111505575	568431645	/nfs/dbraw/zinc/43/16/45/568431645.db2.gz	SFCMUKCMSVAJHS-MDWZMJQESA-N	-1	0	418.203	3.156	40	5		HGBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccco1	ZINC000007363468	569235128	/nfs/dbraw/zinc/23/51/28/569235128.db2.gz	DQDVSKMKHWRVDJ-UHFFFAOYSA-N	-1	0	415.427	3.227	40	5		HGBBRM
COc1cc(/C=C2\NC(=O)[N-]C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000013546539	558842431	/nfs/dbraw/zinc/84/24/31/558842431.db2.gz	NFSMGAOJOVTQRA-AUWJEWJLSA-N	-1	0	403.778	3.016	40	5		HGBBRM
Cc1ccccc1NC(=O)COc1ccc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)cc1	ZINC000409338661	559247717	/nfs/dbraw/zinc/24/77/17/559247717.db2.gz	NVZNKIHQHXCUMT-DHZHZOJOSA-N	-1	0	422.397	3.292	40	5		HGBBRM
CSc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000224995921	569319398	/nfs/dbraw/zinc/31/93/98/569319398.db2.gz	VVVILVRPAKMXMF-UHFFFAOYSA-N	-1	0	416.864	3.250	40	5		HGBBRM
O=C([O-])CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000113883302	569393348	/nfs/dbraw/zinc/39/33/48/569393348.db2.gz	XWIZDAWMJQPWDK-UHFFFAOYSA-N	-1	0	405.215	3.182	40	5		HGBBRM
O=C(CN1C(=O)S/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O)Nc1ccc(F)cc1	ZINC000408965927	560659129	/nfs/dbraw/zinc/65/91/29/560659129.db2.gz	XQDWHTLZWXQNAY-NVNXTCNLSA-N	-1	0	417.374	3.115	40	5		HGBBRM
COCCCN1C(=O)S/C(=C/c2cc(Br)c([O-])c([N+](=O)[O-])c2)C1=O	ZINC000409235047	560701022	/nfs/dbraw/zinc/70/10/22/560701022.db2.gz	YLPGTVPUFWAUSL-YRNVUSSQSA-N	-1	0	417.237	3.136	40	5		HGBBRM
Cc1cc2nc3s/c(=C\c4cc(Cl)cc([N+](=O)[O-])c4[O-])c(=O)n3c2cc1C	ZINC000409392862	560719263	/nfs/dbraw/zinc/71/92/63/560719263.db2.gz	OBLQUFFGZHUWGH-UUASQNMZSA-N	-1	0	401.831	3.341	40	5		HGBBRM
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc([N+](=O)[O-])cc(OC)c3[O-])S2)cc1	ZINC000034701675	568455289	/nfs/dbraw/zinc/45/52/89/568455289.db2.gz	VJGMJEWPVQAAHM-VPEZWSJASA-N	-1	0	401.444	3.471	40	5		HGBBRM
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1	ZINC000216405165	568824466	/nfs/dbraw/zinc/82/44/66/568824466.db2.gz	MEJKBAAOCMAYLL-LFYBBSHMSA-N	-1	0	424.438	3.443	40	5		HGBBRM
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)[O-])S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000224940112	569297143	/nfs/dbraw/zinc/29/71/43/569297143.db2.gz	AGTSPHXTRAMJIZ-UHFFFAOYSA-N	-1	0	419.242	3.490	40	5		HGBBRM
O=C([O-])COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1	ZINC000214996236	569323748	/nfs/dbraw/zinc/32/37/48/569323748.db2.gz	YGTGWDJBNZATGU-CXUHLZMHSA-N	-1	0	414.395	3.295	40	5		HGBBRM
O=C([O-])CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1	ZINC000113890275	569393445	/nfs/dbraw/zinc/39/34/45/569393445.db2.gz	YUAWTWXREDVCFQ-UHFFFAOYSA-N	-1	0	405.215	3.182	40	5		HGBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[nH]1	ZINC000035377441	557700755	/nfs/dbraw/zinc/70/07/55/557700755.db2.gz	QDJHOXXGXVFMLC-GORDUTHDSA-N	-1	0	404.722	3.376	40	5		HGBBRM
O=C([O-])CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000408613167	559221567	/nfs/dbraw/zinc/22/15/67/559221567.db2.gz	XSYNVYLQGPAUFH-LJQANCHMSA-N	-1	0	415.421	3.098	40	5		HGBBRM
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])S2)cc1	ZINC000408785415	560641427	/nfs/dbraw/zinc/64/14/27/560641427.db2.gz	XEVIMEQFEVXVPP-ODZYNRFZSA-N	-1	0	416.415	3.371	40	5		HGBBRM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(Br)c1OC	ZINC000409318149	560709473	/nfs/dbraw/zinc/70/94/73/560709473.db2.gz	TWXXUMYZOIXGJF-PLNGDYQASA-N	-1	0	412.196	3.136	40	5		HGBBRM
Cc1ccccc1NC(=O)COc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1	ZINC000409325147	560710888	/nfs/dbraw/zinc/71/08/88/560710888.db2.gz	XDTSQDCLYLNLDB-DHZHZOJOSA-N	-1	0	422.397	3.292	40	5		HGBBRM
O=C([O-])c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1	ZINC000017093763	569274198	/nfs/dbraw/zinc/27/41/98/569274198.db2.gz	URFCKVKITRPIII-UHFFFAOYSA-N	-1	0	424.232	3.182	40	5		HGBBRM
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-]	ZINC000224774385	569289068	/nfs/dbraw/zinc/28/90/68/569289068.db2.gz	LLGSDCVGQIVXMR-UHFFFAOYSA-N	-1	0	419.242	3.490	40	5		HGBBRM
CCOc1c(Br)cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1OC	ZINC000409322575	559247853	/nfs/dbraw/zinc/24/78/53/559247853.db2.gz	KQNGDRRWJYUFKH-PLNGDYQASA-N	-1	0	412.196	3.136	40	5		HGBBRM
O=C([O-])c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1	ZINC000020153345	568590679	/nfs/dbraw/zinc/59/06/79/568590679.db2.gz	NZEWCDOYDJMPJP-UHFFFAOYSA-N	-1	0	414.443	3.020	40	5		HGBBRM
O=C([O-])c1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000006615243	569074213	/nfs/dbraw/zinc/07/42/13/569074213.db2.gz	QFEQIPGWCLLFEH-KRXBUXKQSA-N	-1	0	405.819	3.473	40	5		HGBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])c1cc(Cl)cc(Cl)c1	ZINC000225078136	569324110	/nfs/dbraw/zinc/32/41/10/569324110.db2.gz	VMLCATMYPNLPER-UHFFFAOYSA-N	-1	0	419.242	3.490	40	5		HGBBRM
Cc1c(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c2ccccc2n1Cc1ccccc1	ZINC000006414894	569331961	/nfs/dbraw/zinc/33/19/61/569331961.db2.gz	BFMPMZDXTHHMEX-VAWYXSNFSA-N	-1	0	402.410	3.453	40	5		HGBBRM
O=C(Oc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1)c1ccccc1Cl	ZINC000033375222	569350470	/nfs/dbraw/zinc/35/04/70/569350470.db2.gz	ISUQRIKWSHTCSL-JXMROGBWSA-N	-1	0	413.773	3.427	40	5		HGBBRM
O=C([O-])CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000113882816	569393339	/nfs/dbraw/zinc/39/33/39/569393339.db2.gz	CKUCAHKVVSJLKP-UHFFFAOYSA-N	-1	0	405.215	3.182	40	5		HGBBRM
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(OC)c([O-])c([N+](=O)[O-])c3)S2)cc1	ZINC000019594117	569424167	/nfs/dbraw/zinc/42/41/67/569424167.db2.gz	WWPWXHXKFQUHKZ-LZOLKVDOSA-N	-1	0	401.444	3.471	40	5		HGBBRM
O=C1N/C(=C/c2cc([N+](=O)[O-])ccc2[O-])C(=O)N1Cc1ccc(Br)cc1	ZINC000408930239	560655482	/nfs/dbraw/zinc/65/54/82/560655482.db2.gz	UNKNFTWUHAKHBY-RIYZIHGNSA-N	-1	0	418.203	3.156	40	5		HGBBRM
COc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	ZINC000409041968	560669001	/nfs/dbraw/zinc/66/90/01/560669001.db2.gz	LOMITURUQCACLB-VGOFMYFVSA-N	-1	0	403.778	3.016	40	5		HGBBRM
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)cc1[N+](=O)[O-]	ZINC000216366612	568824138	/nfs/dbraw/zinc/82/41/38/568824138.db2.gz	PQVRAKGRPRUKOK-UHFFFAOYSA-N	-1	0	412.427	3.351	40	5		HGBBRM
O=C([O-])c1c(C(=O)Nc2ccccc2I)cccc1[N+](=O)[O-]	ZINC000003151242	568858632	/nfs/dbraw/zinc/85/86/32/568858632.db2.gz	QJGMRYRNUOKKQI-UHFFFAOYSA-N	-1	0	412.139	3.150	40	5		HGBBRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(SC)c(NC(C)=O)c1	ZINC000223768151	569031537	/nfs/dbraw/zinc/03/15/37/569031537.db2.gz	BCFGBQKGCSVLLS-UHFFFAOYSA-N	-1	0	411.461	3.085	40	5		HGBBRM
O=C([O-])CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O	ZINC000409136715	560682558	/nfs/dbraw/zinc/68/25/58/560682558.db2.gz	UREDOINIOBEURH-CXUHLZMHSA-N	-1	0	414.395	3.295	40	5		HGBBRM
O=C([O-])c1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1Cl	ZINC000020142675	568590126	/nfs/dbraw/zinc/59/01/26/568590126.db2.gz	FHAJMQSAYGEWFY-UHFFFAOYSA-N	-1	0	405.794	3.035	40	5		HGBBRM
COc1ccc(-c2nnc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)s2)cc1	ZINC000225882571	568783822	/nfs/dbraw/zinc/78/38/22/568783822.db2.gz	PCJWROLUZPSAJE-UHFFFAOYSA-N	-1	0	406.445	3.231	40	5		HGBBRM
CCOc1ccccc1NC(=O)Cc1sc(Nc2ccc([N+](=O)[O-])cc2)nc1[O-]	ZINC000005499918	557658164	/nfs/dbraw/zinc/65/81/64/557658164.db2.gz	RWFHLEJLPWDGTI-MRXNPFEDSA-N	-1	0	414.443	3.432	40	5		HGBBRM
COc1ccc(-c2ccc(CCC(=O)[O-])n2NC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000408562222	559218460	/nfs/dbraw/zinc/21/84/60/559218460.db2.gz	OEDIPHGPTWABMK-UHFFFAOYSA-N	-1	0	409.398	3.473	40	5		HGBBRM
COc1cc(OC)cc(-c2nc(SC(=Cc3ccc([N+](=O)[O-])o3)C(=O)[O-])n[nH]2)c1	ZINC000408634269	559222541	/nfs/dbraw/zinc/22/25/41/559222541.db2.gz	SYJHZMRIGBQEDP-JYRVWZFOSA-N	-1	0	418.387	3.208	40	5		HGBBRM
O=C(CSc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1[N+](=O)[O-])Nc1ccccc1	ZINC000408994574	559236965	/nfs/dbraw/zinc/23/69/65/559236965.db2.gz	ZSFSZSJBUVQBAT-DYVFJYSZSA-N	-1	0	419.484	3.114	40	5		HGBBRM
CCOc1cc(/C=C2\SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409211114	559245474	/nfs/dbraw/zinc/24/54/74/559245474.db2.gz	KVRWNKGPSKOADO-DOQDJBIESA-N	-1	0	424.431	3.077	40	5		HGBBRM
O=c1[nH]c(C=Cc2cccc(Oc3nc(Cl)ncc3F)c2)nc([O-])c1[N+](=O)[O-]	ZINC000409344231	560712018	/nfs/dbraw/zinc/71/20/18/560712018.db2.gz	ICFSYQFIDPNMIB-PLNGDYQASA-N	-1	0	405.729	3.341	40	5		HGBBRM
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc([N+](=O)[O-])cc(OC)c3[O-])S2)cc1	ZINC000034701677	568455318	/nfs/dbraw/zinc/45/53/18/568455318.db2.gz	VJGMJEWPVQAAHM-QHVUTBCBSA-N	-1	0	401.444	3.471	40	5		HGBBRM
COc1ccc(-c2nnc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)s2)cc1	ZINC000225685673	568778814	/nfs/dbraw/zinc/77/88/14/568778814.db2.gz	LWUIBYWDXJOLLP-UHFFFAOYSA-N	-1	0	406.445	3.231	40	5		HGBBRM
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-]	ZINC000224785568	569289549	/nfs/dbraw/zinc/28/95/49/569289549.db2.gz	ARILORVMWSNOPR-UHFFFAOYSA-N	-1	0	418.349	3.202	40	5		HGBBRM
O=C1[N-]C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)N1	ZINC000009311701	569392212	/nfs/dbraw/zinc/39/22/12/569392212.db2.gz	QRRYDVMXAAMZPU-ZSOIEALJSA-N	-1	0	418.203	3.117	40	5		HGBBRM
O=C([O-])c1ccccc1S[C@@H]1CC(=O)N(c2ccc(Cl)c([N+](=O)[O-])c2)C1=O	ZINC000017877393	571049407	/nfs/dbraw/zinc/04/94/07/571049407.db2.gz	OLESTMQPEVKURT-CQSZACIVSA-N	-1	0	406.803	3.371	40	5		HGBBRM
O=C(CN1C(=O)S/C(=C/c2cc([O-])ccc2[N+](=O)[O-])C1=O)Nc1cccc(F)c1	ZINC000409247620	559246841	/nfs/dbraw/zinc/24/68/41/559246841.db2.gz	DUGJOIGXDUIHNM-VIZOYTHASA-N	-1	0	417.374	3.115	40	5		HGBBRM
CCOc1ccccc1NC(=O)Cc1sc(Nc2ccc([N+](=O)[O-])cc2)nc1[O-]	ZINC000005499919	560597308	/nfs/dbraw/zinc/59/73/08/560597308.db2.gz	RWFHLEJLPWDGTI-INIZCTEOSA-N	-1	0	414.443	3.432	40	5		HGBBRM
O=C([O-])CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O	ZINC000409131626	560680473	/nfs/dbraw/zinc/68/04/73/560680473.db2.gz	JCCIHXHZCNTKSQ-CXUHLZMHSA-N	-1	0	414.395	3.295	40	5		HGBBRM
O=C([O-])c1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1	ZINC000020153333	568590665	/nfs/dbraw/zinc/59/06/65/568590665.db2.gz	ZPYUKTZDHXSQFW-UHFFFAOYSA-N	-1	0	414.443	3.020	40	5		HGBBRM
O=C([O-])CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000224938908	569297141	/nfs/dbraw/zinc/29/71/41/569297141.db2.gz	BJZNRKSALAYUFK-UHFFFAOYSA-N	-1	0	405.215	3.182	40	5		HGBBRM
O=C(Oc1cccc(C=C2SC(=O)NC2=O)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000146480388	569355186	/nfs/dbraw/zinc/35/51/86/569355186.db2.gz	RBHZNXNRNRKSCW-LHHJGKSTSA-N	-1	0	415.339	3.046	40	5		HGBBRM
O=C([O-])CCSc1nnc(COc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1	ZINC000005015009	559228325	/nfs/dbraw/zinc/22/83/25/559228325.db2.gz	KPAVKZTUQFMEGO-UHFFFAOYSA-N	-1	0	400.416	3.321	40	5		HGBBRM
O=C([O-])CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000224757995	569287463	/nfs/dbraw/zinc/28/74/63/569287463.db2.gz	VLXIBPZMZPIXAX-UHFFFAOYSA-N	-1	0	405.215	3.182	40	5		HGBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])c1cccc(C(F)(F)F)c1	ZINC000225076745	569324075	/nfs/dbraw/zinc/32/40/75/569324075.db2.gz	SKBOWOONSZCTCH-UHFFFAOYSA-N	-1	0	418.349	3.202	40	5		HGBBRM
CCOC(=O)c1c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)sc2c1CCC2	ZINC000408613811	559221543	/nfs/dbraw/zinc/22/15/43/559221543.db2.gz	YHHPSXGLELLSIB-UHFFFAOYSA-N	-1	0	410.473	3.431	40	5		HGBBRM
C[C@H](Sc1nnc(COc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)C(=O)[O-]	ZINC000005015007	559228340	/nfs/dbraw/zinc/22/83/40/559228340.db2.gz	IVVDFOIISIAHAA-LBPRGKRZSA-N	-1	0	400.416	3.320	40	5		HGBBRM
Cc1ccc(NC(=O)COc2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])cc2)cc1	ZINC000409318237	559247626	/nfs/dbraw/zinc/24/76/26/559247626.db2.gz	VFQQQUGITPDXKL-WDZFZDKYSA-N	-1	0	422.397	3.292	40	5		HGBBRM
CC(C)(C)OC(=O)C[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])c1ccc([N+](=O)[O-])cc1	ZINC000064219615	569046334	/nfs/dbraw/zinc/04/63/34/569046334.db2.gz	BRRZHNFGQLIIPL-LJQANCHMSA-N	-1	0	410.423	3.131	40	5		HGBBRM
COc1ccc2c3nccc4c5cc(OCC(=O)[O-])ccc5n(c43)c(=O)c2c1OC	ZINC000020759131	569064600	/nfs/dbraw/zinc/06/46/00/569064600.db2.gz	XXGXSJUCTJLZFO-UHFFFAOYSA-N	-1	0	404.378	3.073	40	5	biogenic	HGBBRM
O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000016921495	569267473	/nfs/dbraw/zinc/26/74/73/569267473.db2.gz	OPVSMLQBOOBLRT-QPEQYQDCSA-N	-1	0	405.413	3.037	40	5		HGBBRM
O=C([O-])CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000225025387	569323751	/nfs/dbraw/zinc/32/37/51/569323751.db2.gz	WZBNFORTBQUSFQ-UHFFFAOYSA-N	-1	0	405.215	3.182	40	5		HGBBRM
O=C([O-])COCC[N+]1([O-])CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1	ZINC000022054206	558460091	/nfs/dbraw/zinc/46/00/91/558460091.db2.gz	IVDOUUOLLFEMJQ-OAQYLSRUSA-N	-1	0	404.894	3.161	40	5	in-vitro	HGBBRM
Cc1ccc([C@H](CCC(=O)[O-])N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1	ZINC000408610610	559221306	/nfs/dbraw/zinc/22/13/06/559221306.db2.gz	QPSNFDDDBQIDRO-IBGZPJMESA-N	-1	0	411.458	3.267	40	5		HGBBRM
O=C([O-])CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000408613157	559221557	/nfs/dbraw/zinc/22/15/57/559221557.db2.gz	XROLWQRVLKXUPR-SFHVURJKSA-N	-1	0	415.421	3.098	40	5		HGBBRM
COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc([N+](=O)[O-])o3)C(=O)[O-])o2)c1	ZINC000408633475	559222596	/nfs/dbraw/zinc/22/25/96/559222596.db2.gz	NGDWTRDZIDOLOR-JYRVWZFOSA-N	-1	0	419.371	3.473	40	5		HGBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)[nH]1	ZINC000007098729	569336852	/nfs/dbraw/zinc/33/68/52/569336852.db2.gz	HFLSWMCSSDFNQT-JXMROGBWSA-N	-1	0	406.373	3.284	40	5		HGBBRM
O=C([O-])CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000113883993	569393324	/nfs/dbraw/zinc/39/33/24/569393324.db2.gz	GVCCMNVPWATEHN-UHFFFAOYSA-N	-1	0	405.215	3.182	40	5		HGBBRM
O=C([O-])COCC[N+]1([O-])CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1	ZINC000022054202	558460064	/nfs/dbraw/zinc/46/00/64/558460064.db2.gz	IVDOUUOLLFEMJQ-NRFANRHFSA-N	-1	0	404.894	3.161	40	5	in-vitro	HGBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)N1CCCCC1	ZINC000014398198	559165635	/nfs/dbraw/zinc/16/56/35/559165635.db2.gz	PAULQCBMFGSLOL-UHFFFAOYSA-N	-1	0	403.460	3.330	40	5		HGBBRM
O=C(CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2[O-])C1=O)Nc1cccc(F)c1	ZINC000409232711	559245698	/nfs/dbraw/zinc/24/56/98/559245698.db2.gz	OYTSOCYUUVMSSS-VIZOYTHASA-N	-1	0	417.374	3.115	40	5		HGBBRM
O=C1N/C(=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])C(=O)N1Cc1ccccc1	ZINC000409246187	560701516	/nfs/dbraw/zinc/70/15/16/560701516.db2.gz	GEAWBEYTFUYNQK-VGOFMYFVSA-N	-1	0	418.203	3.156	40	5		HGBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)[nH]1	ZINC000409311608	560708813	/nfs/dbraw/zinc/70/88/13/560708813.db2.gz	BIZWZKDINUODAC-YHYXMXQVSA-N	-1	0	410.342	3.454	40	5		HGBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)[nH]1	ZINC000409333058	560710642	/nfs/dbraw/zinc/71/06/42/560710642.db2.gz	ICKNADPADRUGKZ-TWGQIWQCSA-N	-1	0	410.342	3.454	40	5		HGBBRM
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)ccc1[N+](=O)[O-]	ZINC000216487142	568825247	/nfs/dbraw/zinc/82/52/47/568825247.db2.gz	JCAPLRPCSCENOB-UHFFFAOYSA-N	-1	0	412.427	3.351	40	5		HGBBRM
CC(C)c1ccc(-c2noc(C[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])n2)cc1	ZINC000223581005	569030602	/nfs/dbraw/zinc/03/06/02/569030602.db2.gz	JZIJUDNEHUSDKQ-UHFFFAOYSA-N	-1	0	402.432	3.247	40	5		HGBBRM
O=C(CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000016920379	569267426	/nfs/dbraw/zinc/26/74/26/569267426.db2.gz	NDAHDRRICDCVFA-CHHVJCJISA-N	-1	0	417.374	3.115	40	5		HGBBRM
O=C([O-])c1ccccc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000017089824	569273503	/nfs/dbraw/zinc/27/35/03/569273503.db2.gz	VOJJRERAVMMFMO-UHFFFAOYSA-N	-1	0	414.443	3.020	40	5		HGBBRM
Cc1c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cccc1[N+](=O)[O-]	ZINC000044844494	525656936	/nfs/dbraw/zinc/65/69/36/525656936.db2.gz	FUDZLGDUSXWZAH-UHFFFAOYSA-N	-1	0	412.427	3.351	40	5		HGBBRM
O=C([O-])CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000408613164	559221555	/nfs/dbraw/zinc/22/15/55/559221555.db2.gz	XSYNVYLQGPAUFH-IBGZPJMESA-N	-1	0	415.421	3.098	40	5		HGBBRM
O=C([O-])CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000408613154	559221582	/nfs/dbraw/zinc/22/15/82/559221582.db2.gz	XROLWQRVLKXUPR-GOSISDBHSA-N	-1	0	415.421	3.098	40	5		HGBBRM
Cc1ccc(OCc2nn(CC(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)c(=S)o2)cc1	ZINC000409162965	559243209	/nfs/dbraw/zinc/24/32/09/559243209.db2.gz	KCDHWQUJCLYKBL-UHFFFAOYSA-N	-1	0	416.415	3.346	40	5		HGBBRM
O=C([O-])c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1I	ZINC000409369500	560716630	/nfs/dbraw/zinc/71/66/30/560716630.db2.gz	CDGSQKJKTFXFBC-UHFFFAOYSA-N	-1	0	412.139	3.150	40	5		HGBBRM
O=C([O-])c1cc(Br)ccc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-]	ZINC000016449295	569051419	/nfs/dbraw/zinc/05/14/19/569051419.db2.gz	GYXWBVKDUBHWDT-UHFFFAOYSA-N	-1	0	424.232	3.182	40	5		HGBBRM
O=C(CN1C(=O)S/C(=C\c2cccc(F)c2)C1=O)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000016920794	569267431	/nfs/dbraw/zinc/26/74/31/569267431.db2.gz	WZJMMRYQEYDPCU-CHHVJCJISA-N	-1	0	417.374	3.115	40	5		HGBBRM
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-]	ZINC000224772745	569288934	/nfs/dbraw/zinc/28/89/34/569288934.db2.gz	GOOKMVOWDBMIIN-UHFFFAOYSA-N	-1	0	418.349	3.202	40	5		HGBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])c1ccc(Cl)c(Cl)c1	ZINC000225089184	569325072	/nfs/dbraw/zinc/32/50/72/569325072.db2.gz	UMRVPTZNYWZIRM-UHFFFAOYSA-N	-1	0	419.242	3.490	40	5		HGBBRM