smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)cc2)cc1	ZINC000409174589	1070589973	/nfs/dbraw/zinc/58/99/73/1070589973.db2.gz	VEVXFZKLNIOGPJ-VFCFBJKWSA-N	-1	3	543.601	5.974	40	5		KKBBHM
O=C1c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1[O-]	ZINC000408755771	1071643225	/nfs/dbraw/zinc/64/32/25/1071643225.db2.gz	FLCULVJBVMFUBP-UHFFFAOYSA-N	-1	3	504.296	5.760	40	5		KKBBHM
COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000409167861	1072758054	/nfs/dbraw/zinc/75/80/54/1072758054.db2.gz	OPOYIHGMZVNBOB-UHFFFAOYSA-N	-1	3	659.142	5.508	40	5		KKBBHM
COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1	ZINC000098000104	554048430	/nfs/dbraw/zinc/04/84/30/554048430.db2.gz	ODVUFQBIYPEETO-AWCRTANDSA-N	-1	3	579.565	5.182	40	5		KKBBHM
CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OCc3ccccc3)c(OCC)c2)cc1	ZINC000098000308	554050318	/nfs/dbraw/zinc/05/03/18/554050318.db2.gz	XFILOKFZRPTWTH-ZDCRTTOTSA-N	-1	3	623.662	6.412	40	5		KKBBHM
CC(C)(C)c1cc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc(C(C)(C)C)c1O	ZINC000101117765	554643354	/nfs/dbraw/zinc/64/33/54/554643354.db2.gz	DIIJGUKJVOJOLH-OBDYRVMHSA-N	-1	3	543.620	5.947	40	5		KKBBHM
O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(Cl)cc1Cl	ZINC000101176282	554664203	/nfs/dbraw/zinc/66/42/03/554664203.db2.gz	XPVKFGFAWTVPEG-DSITVLBTSA-N	-1	3	534.355	6.106	40	5		KKBBHM
CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000101213100	554680541	/nfs/dbraw/zinc/68/05/41/554680541.db2.gz	FVWZUVLOVQAJFF-SMIHKQSGSA-N	-1	3	507.930	5.088	40	5		KKBBHM
O=C(Oc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1	ZINC000102555180	554964031	/nfs/dbraw/zinc/96/40/31/554964031.db2.gz	LEVZZQYMTBONFN-PVHODMMVSA-N	-1	3	569.957	5.519	40	5		KKBBHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1c2ccccc2cc2ccccc21	ZINC000102739777	555028573	/nfs/dbraw/zinc/02/85/73/555028573.db2.gz	JWHXOMINVDSPGA-ULNSLHSMSA-N	-1	3	539.418	7.351	40	5		KKBBHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	ZINC000102748479	555042519	/nfs/dbraw/zinc/04/25/19/555042519.db2.gz	VFDJNELIPCLBFQ-SDHSZQHLSA-N	-1	3	550.354	6.213	40	5		KKBBHM
CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1	ZINC000102859624	555090013	/nfs/dbraw/zinc/09/00/13/555090013.db2.gz	MTYNENLYGAFTQZ-YPKYBTACSA-N	-1	3	623.618	5.663	40	5		KKBBHM
CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1	ZINC000102889850	555124375	/nfs/dbraw/zinc/12/43/75/555124375.db2.gz	MGXMYFRTHHVETP-DTXPUJKBSA-N	-1	3	593.592	5.654	40	5		KKBBHM
CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1	ZINC000102899399	555139085	/nfs/dbraw/zinc/13/90/85/555139085.db2.gz	PXYSLKZLVKDHQE-ULNSLHSMSA-N	-1	3	579.565	5.264	40	5		KKBBHM
CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1	ZINC000102899402	555139101	/nfs/dbraw/zinc/13/91/01/555139101.db2.gz	PXYSLKZLVKDHQE-NLDZOOGBSA-N	-1	3	579.565	5.264	40	5		KKBBHM
CC(C)(C)NC(=O)c1sc2c(cccc2[N-]C(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)c1Cl	ZINC000105303406	571392766	/nfs/dbraw/zinc/39/27/66/571392766.db2.gz	PLUXAISBNYYBCA-UHFFFAOYSA-N	-1	3	522.435	7.112	40	5		KKBBHM
CC(C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3[O-])nc2c1	ZINC000105306055	571393925	/nfs/dbraw/zinc/39/39/25/571393925.db2.gz	GZRHIYIVYBARDA-UHFFFAOYSA-N	-1	3	559.648	6.349	40	5		KKBBHM
O=C([N-]c1nnc(CCSCCc2nnc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)s2)s1)c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000163621583	571537888	/nfs/dbraw/zinc/53/78/88/571537888.db2.gz	XZFIDOFWKCHUSV-UHFFFAOYSA-N	-1	3	655.527	5.536	40	5		KKBBHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)cc2)c(C)c1	ZINC000211057104	571576142	/nfs/dbraw/zinc/57/61/42/571576142.db2.gz	HTPFAGFAWPJTFI-ZXVVBBHZSA-N	-1	3	527.602	6.192	40	5		KKBBHM
COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000409165910	1072653229	/nfs/dbraw/zinc/65/32/29/1072653229.db2.gz	AQDZKBRRQCSTOS-UHFFFAOYSA-N	-1	3	663.105	5.339	40	5		KKBBHM
CCOc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(Cl)cc2Cl)c1	ZINC000001317533	551641041	/nfs/dbraw/zinc/64/10/41/551641041.db2.gz	YAXQSZGROMJYRA-ZRBLBEILSA-N	-1	3	528.348	5.351	40	5		KKBBHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c([N+](=O)[O-])c1)ON(c1ccccc1)[C@@H]2c1ccc(OCc2ccccc2)cc1	ZINC000001896819	551728307	/nfs/dbraw/zinc/72/83/07/551728307.db2.gz	ICIAMULZLRCHHA-FCEKVYKBSA-N	-1	3	555.974	5.878	40	5		KKBBHM
CC(=O)Nc1ccc(Oc2cc([N-]C(=O)c3nc4nc(-c5cccs5)cc(C(F)(F)F)n4n3)cc([N+](=O)[O-])c2)cc1	ZINC000003139669	552294474	/nfs/dbraw/zinc/29/44/74/552294474.db2.gz	VNPPVIOKLNRPAH-UHFFFAOYSA-N	-1	3	583.508	5.783	40	5		KKBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc3ccccc3c1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(Cl)cc1Cl	ZINC000097954253	553822623	/nfs/dbraw/zinc/82/26/23/553822623.db2.gz	WEYAEDVRPLAJQN-GVAUOCQISA-N	-1	3	534.355	6.106	40	5		KKBBHM
O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(Cl)cc1Cl	ZINC000097954850	553826056	/nfs/dbraw/zinc/82/60/56/553826056.db2.gz	XPVKFGFAWTVPEG-GVAUOCQISA-N	-1	3	534.355	6.106	40	5		KKBBHM
CCOc1cc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1	ZINC000098000291	554049865	/nfs/dbraw/zinc/04/98/65/554049865.db2.gz	SEYMZTBNRWSFSB-DTXPUJKBSA-N	-1	3	565.582	5.624	40	5		KKBBHM
CCOC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1C)[C@@H]3c1ccc([N+](=O)[O-])cc1)CCCC2	ZINC000100799400	554474146	/nfs/dbraw/zinc/47/41/46/554474146.db2.gz	GAKOOUXIFVPRHC-SDHSZQHLSA-N	-1	3	561.616	5.071	40	5		KKBBHM
O=C1[C@H]2C(=C([O-])N1c1ccc3ccccc3c1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(Cl)cc1Cl	ZINC000101113512	554642414	/nfs/dbraw/zinc/64/24/14/554642414.db2.gz	WEYAEDVRPLAJQN-DSITVLBTSA-N	-1	3	534.355	6.106	40	5		KKBBHM
CCOc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(Cl)cc2Cl)c1	ZINC000101217448	554684790	/nfs/dbraw/zinc/68/47/90/554684790.db2.gz	YAXQSZGROMJYRA-VJBWXMMDSA-N	-1	3	528.348	5.351	40	5		KKBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c([N+](=O)[O-])c1)ON(c1ccccc1)[C@H]2c1ccc(OCc2ccccc2)cc1	ZINC000102562021	554968299	/nfs/dbraw/zinc/96/82/99/554968299.db2.gz	ICIAMULZLRCHHA-KCHLEUMXSA-N	-1	3	555.974	5.878	40	5		KKBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c([N+](=O)[O-])c1)ON(c1ccccc1)[C@@H]2c1ccc(OCc2ccccc2)cc1	ZINC000102562016	554968319	/nfs/dbraw/zinc/96/83/19/554968319.db2.gz	ICIAMULZLRCHHA-IARZGTGTSA-N	-1	3	555.974	5.878	40	5		KKBBHM
CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102761298	555052390	/nfs/dbraw/zinc/05/23/90/555052390.db2.gz	AOALKDZKDYFDQM-XPWALMASSA-N	-1	3	512.349	5.515	40	5		KKBBHM
O=C(Oc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1	ZINC000102871712	555102413	/nfs/dbraw/zinc/10/24/13/555102413.db2.gz	NZYFSQLOPMUSLX-PVHODMMVSA-N	-1	3	553.502	5.004	40	5		KKBBHM
CCCC[N-]C(=S)C(=O)Nc1ccc(C(c2cccc([N+](=O)[O-])c2)c2ccc(NC(=O)C(=S)NCCCC)cc2Cl)c(Cl)c1	ZINC000150360425	571463711	/nfs/dbraw/zinc/46/37/11/571463711.db2.gz	AOTIDXAAUMPAQC-UHFFFAOYSA-N	-1	3	674.676	7.393	40	5		KKBBHM
CCOc1ccc(N2C(=O)c3cc(S(=O)(=O)[N-]c4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000150509186	571519714	/nfs/dbraw/zinc/51/97/14/571519714.db2.gz	DWEMGLVFJVUKRY-DHUJRADRSA-N	-1	3	648.741	7.469	40	5		KKBBHM
O=c1sc2cc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3Cl)ccc2n1Cc1ccc(Cl)cc1	ZINC000225791110	572069182	/nfs/dbraw/zinc/06/91/82/572069182.db2.gz	DZZSRWCMKFAZTC-UHFFFAOYSA-N	-1	3	510.380	5.127	40	5		KKBBHM
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N3Cc2ccccc2)cc1	ZINC000408526731	572158458	/nfs/dbraw/zinc/15/84/58/572158458.db2.gz	ASTNCVSRQVLRBN-UMSFTDKQSA-N	-1	3	618.715	7.378	40	5		KKBBHM
COc1ccc(N2C(=O)c3cc(S(=O)(=O)[N-]c4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000408526894	572158989	/nfs/dbraw/zinc/15/89/89/572158989.db2.gz	CBCYXIRHQOJQKQ-UUWRZZSWSA-N	-1	3	634.714	7.078	40	5		KKBBHM
COc1ccc(N2C(=O)c3cc(S(=O)(=O)[N-]c4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000408530972	572173914	/nfs/dbraw/zinc/17/39/14/572173914.db2.gz	SYSYXQPBGAYWOH-UUWRZZSWSA-N	-1	3	634.714	7.078	40	5		KKBBHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)ccc3OC)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1	ZINC000409173567	1072726778	/nfs/dbraw/zinc/72/67/78/1072726778.db2.gz	LYTWWIDIHUCRBU-UHFFFAOYSA-N	-1	3	689.168	5.599	40	5		KKBBHM
COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000409184326	1072777154	/nfs/dbraw/zinc/77/71/54/1072777154.db2.gz	XNZCTDIWWZGJTA-UHFFFAOYSA-N	-1	3	673.169	5.817	40	5		KKBBHM
CCn1c(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)nnc1-c1cc(Br)ccc1[O-]	ZINC000409412521	1072786452	/nfs/dbraw/zinc/78/64/52/1072786452.db2.gz	RUFZZVHSNLDXBN-UHFFFAOYSA-N	-1	3	547.218	5.379	40	5		KKBBHM
O=C(CSc1nnc(-c2cc(Br)ccc2[O-])n1-c1ccccc1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	ZINC000409412451	1072787596	/nfs/dbraw/zinc/78/75/96/1072787596.db2.gz	LKNDMGIKMWHASE-UHFFFAOYSA-N	-1	3	595.262	6.348	40	5		KKBBHM
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cc(Br)ccc2[O-])n1-c1ccccc1	ZINC000409411182	1072798988	/nfs/dbraw/zinc/79/89/88/1072798988.db2.gz	FGYMGNDTIIWHKI-UHFFFAOYSA-N	-1	3	540.399	5.350	40	5		KKBBHM
Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)c1	ZINC000001316196	551640623	/nfs/dbraw/zinc/64/06/23/551640623.db2.gz	KEIOUNZRSOINTR-KCHLEUMXSA-N	-1	3	549.539	5.174	40	5		KKBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccccc1Cl	ZINC000097955298	553831025	/nfs/dbraw/zinc/83/10/25/553831025.db2.gz	VOSIDTGGCYSXFF-HBMCJLEFSA-N	-1	3	518.740	5.606	40	5		KKBBHM
CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OCc3ccccc3)c(OCC)c2)cc1	ZINC000098000309	554050299	/nfs/dbraw/zinc/05/02/99/554050299.db2.gz	XFILOKFZRPTWTH-DSPMFFIESA-N	-1	3	623.662	6.412	40	5		KKBBHM
O=C(NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000038163572	554273669	/nfs/dbraw/zinc/27/36/69/554273669.db2.gz	HSCJQPUWKWBULL-UHFFFAOYSA-N	-1	3	500.492	5.495	40	5		KKBBHM
Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(OC(=O)c2ccccc2)cc1	ZINC000101111131	554641632	/nfs/dbraw/zinc/64/16/32/554641632.db2.gz	WUEIGWUXFIVMAO-FCEKVYKBSA-N	-1	3	549.539	5.174	40	5		KKBBHM
O=C1[C@H]2C(=C([O-])N1c1ccc3ccccc3c1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(Cl)cc1Cl	ZINC000101113513	554642355	/nfs/dbraw/zinc/64/23/55/554642355.db2.gz	WEYAEDVRPLAJQN-SDHSZQHLSA-N	-1	3	534.355	6.106	40	5		KKBBHM
CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1	ZINC000102449194	554930995	/nfs/dbraw/zinc/93/09/95/554930995.db2.gz	XSUMLPOZXOCJPB-PKTNWEFCSA-N	-1	3	555.612	6.163	40	5		KKBBHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c([N+](=O)[O-])c1)ON(c1ccccc1)[C@H]2c1ccc(OCc2ccccc2)cc1	ZINC000102562013	554968324	/nfs/dbraw/zinc/96/83/24/554968324.db2.gz	ICIAMULZLRCHHA-PKTNWEFCSA-N	-1	3	555.974	5.878	40	5		KKBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000102747792	555041666	/nfs/dbraw/zinc/04/16/66/555041666.db2.gz	HYBUQLUCDVUQJM-GVAUOCQISA-N	-1	3	515.909	5.559	40	5		KKBBHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	ZINC000102754672	555046789	/nfs/dbraw/zinc/04/67/89/555046789.db2.gz	WVLGEHNEHBKCGS-SDHSZQHLSA-N	-1	3	550.354	6.213	40	5		KKBBHM
CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1	ZINC000102859616	555089973	/nfs/dbraw/zinc/08/99/73/555089973.db2.gz	MTYNENLYGAFTQZ-AYQJTBPPSA-N	-1	3	623.618	5.663	40	5		KKBBHM
O=C(Oc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1	ZINC000102894973	555133545	/nfs/dbraw/zinc/13/35/45/555133545.db2.gz	BWYFQTHFDLOHJB-AYQJTBPPSA-N	-1	3	585.572	6.018	40	5		KKBBHM
O=C(Nc1ccc2[nH]c(-c3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3[O-])nc2c1)c1ccc([N+](=O)[O-])cc1	ZINC000103532911	555433355	/nfs/dbraw/zinc/43/33/55/555433355.db2.gz	HYCUFFFKDTVHMF-UHFFFAOYSA-N	-1	3	538.476	5.257	40	5		KKBBHM
O=C(Nc1ccc2nc(-c3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3[O-])[nH]c2c1)c1ccc([N+](=O)[O-])cc1	ZINC000103532911	555433358	/nfs/dbraw/zinc/43/33/58/555433358.db2.gz	HYCUFFFKDTVHMF-UHFFFAOYSA-N	-1	3	538.476	5.257	40	5		KKBBHM
CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)C(=C([O-])c1cccs1)[C@]21C(=O)Nc2ccccc21	ZINC000103541649	555438660	/nfs/dbraw/zinc/43/86/60/555438660.db2.gz	KUEKYYDBCBGJPW-NAQGONTDSA-N	-1	3	561.619	5.903	40	5		KKBBHM
CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)C(=C([O-])c1cccs1)[C@@]21C(=O)Nc2ccccc21	ZINC000103541638	555438765	/nfs/dbraw/zinc/43/87/65/555438765.db2.gz	KUEKYYDBCBGJPW-IDSQFFPFSA-N	-1	3	561.619	5.903	40	5		KKBBHM
Cc1cc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc(-c2nc3ccccc3s2)c1[O-]	ZINC000105310739	571396324	/nfs/dbraw/zinc/39/63/24/571396324.db2.gz	RXVIRFLYYJCVDP-UHFFFAOYSA-N	-1	3	547.662	6.003	40	5		KKBBHM
CCOc1ccc(N2C(=O)c3cc(S(=O)(=O)[N-]c4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000150509182	571519689	/nfs/dbraw/zinc/51/96/89/571519689.db2.gz	DWEMGLVFJVUKRY-PGUFJCEWSA-N	-1	3	648.741	7.469	40	5		KKBBHM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000408567687	572254424	/nfs/dbraw/zinc/25/44/24/572254424.db2.gz	QYWCWWJBYZTTOQ-UHFFFAOYSA-N	-1	3	500.747	5.608	40	5		KKBBHM
O=c1[n-]c(-c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)nc2sc3c(c21)CCCC3	ZINC000409254157	1070687687	/nfs/dbraw/zinc/68/76/87/1070687687.db2.gz	CWFQXBOHBCGNPJ-UHFFFAOYSA-N	-1	3	566.355	7.425	40	5		KKBBHM
Cc1cc(Br)c(Nc2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2ccccc2[O-])C4=O)cc1C	ZINC000408993782	1071564397	/nfs/dbraw/zinc/56/43/97/1071564397.db2.gz	FSWXQKHFEXJFBA-UHFFFAOYSA-N	-1	3	532.350	6.377	40	5		KKBBHM
COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000409168323	1072755578	/nfs/dbraw/zinc/75/55/78/1072755578.db2.gz	QDPOJCVXNYSREU-UHFFFAOYSA-N	-1	3	673.169	5.817	40	5		KKBBHM
Cc1cc(Oc2cc([N-]C(=O)c3nc4nc(-c5cccs5)cc(C(F)(F)F)n4n3)cc([N+](=O)[O-])c2)cc(C(C)C)c1	ZINC000003139677	552294529	/nfs/dbraw/zinc/29/45/29/552294529.db2.gz	XUOQTFQTLCRDKN-UHFFFAOYSA-N	-1	3	582.564	7.256	40	5		KKBBHM
CC(=O)Nc1ccc(Oc2cc([N-]C(=O)c3nc4nc(-c5ccccc5)cc(C(F)(F)F)n4n3)cc([N+](=O)[O-])c2)cc1	ZINC000003139673	552294543	/nfs/dbraw/zinc/29/45/43/552294543.db2.gz	MFGVJQMLTRZXNZ-UHFFFAOYSA-N	-1	3	577.479	5.721	40	5		KKBBHM
Cc1cc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc(-c2nc3ccccc3o2)c1[O-]	ZINC000008835165	553161410	/nfs/dbraw/zinc/16/14/10/553161410.db2.gz	MSAJRGMJKIQHEP-UHFFFAOYSA-N	-1	3	514.519	5.804	40	5		KKBBHM
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc([N+](=O)[O-])cc2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1	ZINC000097954698	553824911	/nfs/dbraw/zinc/82/49/11/553824911.db2.gz	WHORAWYKUZATPJ-IARZGTGTSA-N	-1	3	549.539	5.174	40	5		KKBBHM
CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1C)[C@H]3c1ccc([N+](=O)[O-])cc1)CCCC2	ZINC000097986505	554024678	/nfs/dbraw/zinc/02/46/78/554024678.db2.gz	GAKOOUXIFVPRHC-SDHOMARFSA-N	-1	3	561.616	5.071	40	5		KKBBHM
Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3[O-])nc2c1	ZINC000038178000	554274018	/nfs/dbraw/zinc/27/40/18/554274018.db2.gz	VWVJECCJDQFFFF-UHFFFAOYSA-N	-1	3	514.519	5.804	40	5		KKBBHM
COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@H]3c1ccccc1[N+](=O)[O-])C[C@H](C(C)(C)C)CC2	ZINC000102869536	555099192	/nfs/dbraw/zinc/09/91/92/555099192.db2.gz	KNSZFXQHZICIMJ-PRFMUHPXSA-N	-1	3	589.670	5.645	40	5		KKBBHM
COc1cc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1	ZINC000102890793	555126158	/nfs/dbraw/zinc/12/61/58/555126158.db2.gz	BVDAAQKWCKLXRL-PKTNWEFCSA-N	-1	3	583.528	5.013	40	5		KKBBHM
O=C(Oc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1	ZINC000102894977	555133503	/nfs/dbraw/zinc/13/35/03/555133503.db2.gz	BWYFQTHFDLOHJB-CHQNGUEUSA-N	-1	3	585.572	6.018	40	5		KKBBHM
CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1	ZINC000102974255	555183982	/nfs/dbraw/zinc/18/39/82/555183982.db2.gz	SEYMZTBNRWSFSB-DYIKCSJPSA-N	-1	3	565.582	5.624	40	5		KKBBHM
CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)C(=C([O-])c1cccs1)[C@@]21C(=O)Nc2ccccc21	ZINC000103541644	555438674	/nfs/dbraw/zinc/43/86/74/555438674.db2.gz	KUEKYYDBCBGJPW-PJGOFDOSSA-N	-1	3	561.619	5.903	40	5		KKBBHM
Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12	ZINC000103552794	555444872	/nfs/dbraw/zinc/44/48/72/555444872.db2.gz	WMZUMKLGYFTYLW-BESNRVDSSA-N	-1	3	535.600	5.492	40	5		KKBBHM
CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1cccs1)C(=C([O-])c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)Nc2ccccc21	ZINC000103554053	555445108	/nfs/dbraw/zinc/44/51/08/555445108.db2.gz	PPCVFMUUBPASDY-PJGOFDOSSA-N	-1	3	561.619	5.903	40	5		KKBBHM
Cc1ccc2c(c1)C(C)=C[C@H]1N2[C@H](C(=O)c2cccs2)C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12	ZINC000104054144	571371938	/nfs/dbraw/zinc/37/19/38/571371938.db2.gz	KSFYBRZTBGDRCL-NBJHOTSESA-N	-1	3	575.646	6.211	40	5		KKBBHM
COc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1	ZINC000104059195	571372099	/nfs/dbraw/zinc/37/20/99/571372099.db2.gz	BSYIHBQFXRTASG-AWCRTANDSA-N	-1	3	579.565	5.182	40	5		KKBBHM
CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3[O-])nc2c1	ZINC000105311056	571396518	/nfs/dbraw/zinc/39/65/18/571396518.db2.gz	ZHGZIISXFURAQH-UHFFFAOYSA-N	-1	3	545.621	5.788	40	5		KKBBHM
COc1ccc(-c2nc([N-]C(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000105576412	571407674	/nfs/dbraw/zinc/40/76/74/571407674.db2.gz	OSRWWPQVRQHDFA-UHFFFAOYSA-N	-1	3	521.467	5.463	40	5		KKBBHM
COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1	ZINC000150436880	571496452	/nfs/dbraw/zinc/49/64/52/571496452.db2.gz	AZARJFNQYOMLRF-PKTNWEFCSA-N	-1	3	644.434	5.636	40	5		KKBBHM
CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1	ZINC000150454883	571504103	/nfs/dbraw/zinc/50/41/03/571504103.db2.gz	KCQXYCBKGSSDBT-DTXPUJKBSA-N	-1	3	629.647	5.202	40	5		KKBBHM
CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1	ZINC000150454889	571504138	/nfs/dbraw/zinc/50/41/38/571504138.db2.gz	KCQXYCBKGSSDBT-JBOQNHBVSA-N	-1	3	629.647	5.202	40	5		KKBBHM
CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1	ZINC000150454881	571504220	/nfs/dbraw/zinc/50/42/20/571504220.db2.gz	KCQXYCBKGSSDBT-NGDRWEMDSA-N	-1	3	629.647	5.202	40	5		KKBBHM
O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1	ZINC000198316831	571567635	/nfs/dbraw/zinc/56/76/35/571567635.db2.gz	MTKCXVHMWSGJKA-UHFFFAOYSA-N	-1	3	635.507	5.536	40	5		KKBBHM
CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@@H](c2ccccc2[N+](=O)[O-])N3Cc2ccccc2)cc1	ZINC000408529699	572169423	/nfs/dbraw/zinc/16/94/23/572169423.db2.gz	NWJXKRHYULDHAE-DHUJRADRSA-N	-1	3	648.741	7.469	40	5		KKBBHM
COc1ccc(N2C(=O)c3cc(S(=O)(=O)[N-]c4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1	ZINC000408530967	572173826	/nfs/dbraw/zinc/17/38/26/572173826.db2.gz	SYPFZGJMNQOQET-UUWRZZSWSA-N	-1	3	634.714	7.078	40	5		KKBBHM
O=C(CSc1nnc(-c2cc(Br)ccc2[O-])n1-c1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000409412092	1070922106	/nfs/dbraw/zinc/92/21/06/1070922106.db2.gz	RAHRRFQBROILEH-UHFFFAOYSA-N	-1	3	560.817	5.695	40	5		KKBBHM
Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2cc(Br)ccc2[O-])c(C)c1	ZINC000409412485	1072788108	/nfs/dbraw/zinc/78/81/08/1072788108.db2.gz	OSQOCEULYQSBNP-UHFFFAOYSA-N	-1	3	554.426	5.658	40	5		KKBBHM
O=C(CSc1nnc(-c2cc(Br)ccc2[O-])n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1	ZINC000409412176	1072790676	/nfs/dbraw/zinc/79/06/76/1072790676.db2.gz	SOTJFIWSARQOMI-UHFFFAOYSA-N	-1	3	526.372	5.041	40	5		KKBBHM
O=c1[n-]c(-c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)nc2ccccc12	ZINC000409265073	1073207868	/nfs/dbraw/zinc/20/78/68/1073207868.db2.gz	MMFBWHAQVJTUIY-UHFFFAOYSA-N	-1	3	585.130	7.247	40	5		KKBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccccc1Cl	ZINC000001316513	551640667	/nfs/dbraw/zinc/64/06/67/551640667.db2.gz	VOSIDTGGCYSXFF-ACRUOGEOSA-N	-1	3	518.740	5.606	40	5		KKBBHM
Cc1cc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc(-c2nc3ccccc3o2)c1[O-]	ZINC000008835166	553161421	/nfs/dbraw/zinc/16/14/21/553161421.db2.gz	HESHDMBIHQCQGI-UHFFFAOYSA-N	-1	3	514.519	5.804	40	5		KKBBHM
CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000009345862	553244252	/nfs/dbraw/zinc/24/42/52/553244252.db2.gz	NOMWOLSPSJFZEY-SMIHKQSGSA-N	-1	3	507.930	5.088	40	5		KKBBHM
CCCCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000013659835	553480682	/nfs/dbraw/zinc/48/06/82/553480682.db2.gz	WNUSWKUQRMNRRP-QKDODKLFSA-N	-1	3	515.566	5.605	40	5		KKBBHM
Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3[O-])oc2c1	ZINC000014275135	553508068	/nfs/dbraw/zinc/50/80/68/553508068.db2.gz	WMQHPOJXYOYRMQ-UHFFFAOYSA-N	-1	3	514.519	5.804	40	5		KKBBHM
CC(C)(C)c1cc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc(C(C)(C)C)c1O	ZINC000097954376	553822886	/nfs/dbraw/zinc/82/28/86/553822886.db2.gz	DIIJGUKJVOJOLH-KLJDGLGGSA-N	-1	3	543.620	5.947	40	5		KKBBHM
O=C([N-]c1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Br	ZINC000100526575	554410215	/nfs/dbraw/zinc/41/02/15/554410215.db2.gz	VMLXNVVIRRVPCK-UHFFFAOYSA-N	-1	3	604.364	7.192	40	5		KKBBHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1F)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(Cl)cc1Cl	ZINC000101156960	554658787	/nfs/dbraw/zinc/65/87/87/554658787.db2.gz	NSKVQDNPYBRCIR-NJYVYQBISA-N	-1	3	502.285	5.092	40	5		KKBBHM
CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1	ZINC000102449202	554931041	/nfs/dbraw/zinc/93/10/41/554931041.db2.gz	XSUMLPOZXOCJPB-FCEKVYKBSA-N	-1	3	555.612	6.163	40	5		KKBBHM
COc1ccc(Br)cc1[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C2ON1c1cccc([N+](=O)[O-])c1	ZINC000102887106	555118110	/nfs/dbraw/zinc/11/81/10/555118110.db2.gz	ZTBXZOFYYWFZSK-FSSWDIPSSA-N	-1	3	558.772	5.070	40	5		KKBBHM
CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1	ZINC000102899400	555139074	/nfs/dbraw/zinc/13/90/74/555139074.db2.gz	PXYSLKZLVKDHQE-AWCRTANDSA-N	-1	3	579.565	5.264	40	5		KKBBHM
COc1c(Cl)cc(-c2nc3ncccc3o2)cc1[N-]C(=O)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000104330274	571379234	/nfs/dbraw/zinc/37/92/34/571379234.db2.gz	CXOOBXMVYLFKLE-UHFFFAOYSA-N	-1	3	515.334	6.580	40	5		KKBBHM
CC(C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3[O-])nc2c1	ZINC000105308023	571394939	/nfs/dbraw/zinc/39/49/39/571394939.db2.gz	PQTZGMVWCAYMBM-UHFFFAOYSA-N	-1	3	545.621	5.959	40	5		KKBBHM
COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@H]3c1ccc(OC(=O)c3ccccc3)c(OC)c1)C[C@H](C(C)(C)C)CC2	ZINC000150437029	571496625	/nfs/dbraw/zinc/49/66/25/571496625.db2.gz	ZSYZZLHPWWHBHK-RFJJDEQASA-N	-1	3	739.803	6.873	40	5		KKBBHM
CCOC(=O)c1sc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)c(C(=O)OC)c1C	ZINC000150441534	571498599	/nfs/dbraw/zinc/49/85/99/571498599.db2.gz	FXZOKGRNFKHJRE-KCHLEUMXSA-N	-1	3	715.693	5.207	40	5		KKBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1	ZINC000150449906	571502257	/nfs/dbraw/zinc/50/22/57/571502257.db2.gz	WHUILLXMHGBPRO-VJGNERBWSA-N	-1	3	650.463	5.176	40	5		KKBBHM
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1	ZINC000197825706	571564917	/nfs/dbraw/zinc/56/49/17/571564917.db2.gz	FOLVUGKKYMZQHB-UHFFFAOYSA-N	-1	3	635.507	5.536	40	5		KKBBHM
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])o1	ZINC000224884354	571626530	/nfs/dbraw/zinc/62/65/30/571626530.db2.gz	UZVJGQDTODCLAQ-RPWUZVMVSA-N	-1	3	522.970	5.795	40	5		KKBBHM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)N3Cc2ccccc2)cc1	ZINC000408529591	572168880	/nfs/dbraw/zinc/16/88/80/572168880.db2.gz	MRNAMGDZMKLMNZ-UMSFTDKQSA-N	-1	3	634.714	7.078	40	5		KKBBHM
CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)N3Cc2ccccc2)cc1	ZINC000408530854	572173522	/nfs/dbraw/zinc/17/35/22/572173522.db2.gz	RVJPYOGUYSCYJC-PGUFJCEWSA-N	-1	3	648.741	7.469	40	5		KKBBHM
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)N3Cc2ccccc2)cc1	ZINC000408532493	572179965	/nfs/dbraw/zinc/17/99/65/572179965.db2.gz	ZBYSVKCYBCEGPI-UMSFTDKQSA-N	-1	3	618.715	7.378	40	5		KKBBHM
Cc1ccc(-n2c(SCC(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)nnc2-c2cc(Br)ccc2[O-])c(C)c1	ZINC000408545461	572219169	/nfs/dbraw/zinc/21/91/69/572219169.db2.gz	QWRUCYNONDRMCI-UHFFFAOYSA-N	-1	3	623.316	6.965	40	5		KKBBHM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000408564145	572250104	/nfs/dbraw/zinc/25/01/04/572250104.db2.gz	RZANIHSELDVKLM-UHFFFAOYSA-N	-1	3	500.747	5.608	40	5		KKBBHM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c([O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	ZINC000408733728	1071550116	/nfs/dbraw/zinc/55/01/16/1071550116.db2.gz	PCFXFCWCBJTJTE-ZYDFGXJWSA-N	-1	3	674.913	5.097	40	5		KKBBHM
Cc1c(C)c(Nc2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2ccccc2[O-])C4=O)ccc1Br	ZINC000408994977	1071554661	/nfs/dbraw/zinc/55/46/61/1071554661.db2.gz	KCDDKUSARHVBTP-UHFFFAOYSA-N	-1	3	532.350	6.377	40	5		KKBBHM
Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nnc2-c2cc(Br)ccc2[O-])c(C)c1	ZINC000409412328	1072789369	/nfs/dbraw/zinc/78/93/69/1072789369.db2.gz	JKEGGLCMHRWNSX-UHFFFAOYSA-N	-1	3	568.453	5.967	40	5		KKBBHM
CC(C)(C)C(=O)[C@H]1C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12	ZINC000009009575	553199255	/nfs/dbraw/zinc/19/92/55/553199255.db2.gz	JWJMOAGUGRHVMR-YSRRZRNESA-N	-1	3	521.573	5.183	40	5		KKBBHM
Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(OC(=O)c2ccccc2)cc1	ZINC000097954230	553822209	/nfs/dbraw/zinc/82/22/09/553822209.db2.gz	WUEIGWUXFIVMAO-IARZGTGTSA-N	-1	3	549.539	5.174	40	5		KKBBHM
Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)c1	ZINC000097954462	553823416	/nfs/dbraw/zinc/82/34/16/553823416.db2.gz	KEIOUNZRSOINTR-FCEKVYKBSA-N	-1	3	549.539	5.174	40	5		KKBBHM
Cc1cc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc(-c2nc3ccccc3o2)c1[O-]	ZINC000059331539	554389240	/nfs/dbraw/zinc/38/92/40/554389240.db2.gz	QPSDXEAPMKERQL-UHFFFAOYSA-N	-1	3	517.567	5.144	40	5		KKBBHM
O=C1[N-]C(=O)C(=Cc2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)S1	ZINC000100474599	554400346	/nfs/dbraw/zinc/40/03/46/554400346.db2.gz	DPFIYZMTIAHTHC-WLRTZDKTSA-N	-1	3	568.121	6.255	40	5		KKBBHM
O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1	ZINC000059882127	554457894	/nfs/dbraw/zinc/45/78/94/554457894.db2.gz	RMPLHEYVBCOZRY-UHFFFAOYSA-N	-1	3	526.423	5.574	40	5		KKBBHM
CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccc(Cl)cc1)[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000100816050	554476494	/nfs/dbraw/zinc/47/64/94/554476494.db2.gz	NDDWDIUNRULTLD-VSKRKVRLSA-N	-1	3	555.996	5.154	40	5		KKBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2)s1	ZINC000102710028	555016121	/nfs/dbraw/zinc/01/61/21/555016121.db2.gz	ACWZLUCEXNVHEH-GVAUOCQISA-N	-1	3	531.977	6.028	40	5		KKBBHM
CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1	ZINC000102859622	555090006	/nfs/dbraw/zinc/09/00/06/555090006.db2.gz	MTYNENLYGAFTQZ-OLUZHXLYSA-N	-1	3	623.618	5.663	40	5		KKBBHM
CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)C(=C([O-])c1cccs1)[C@]21C(=O)Nc2ccccc21	ZINC000103541645	555438749	/nfs/dbraw/zinc/43/87/49/555438749.db2.gz	KUEKYYDBCBGJPW-FFAHVWSXSA-N	-1	3	561.619	5.903	40	5		KKBBHM
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000198311092	571566928	/nfs/dbraw/zinc/56/69/28/571566928.db2.gz	XVHXVCOQAGLTGE-UHFFFAOYSA-N	-1	3	638.724	5.163	40	5		KKBBHM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@H](c2cccc([N+](=O)[O-])c2)N3Cc2ccccc2)cc1	ZINC000408529594	572168875	/nfs/dbraw/zinc/16/88/75/572168875.db2.gz	MRNAMGDZMKLMNZ-UUWRZZSWSA-N	-1	3	634.714	7.078	40	5		KKBBHM
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@H](c2cccc([N+](=O)[O-])c2)N3Cc2ccccc2)cc1	ZINC000408532494	572179999	/nfs/dbraw/zinc/17/99/99/572179999.db2.gz	ZBYSVKCYBCEGPI-UUWRZZSWSA-N	-1	3	618.715	7.378	40	5		KKBBHM
Cc1ccc(-n2c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nnc2-c2cc(Br)ccc2[O-])c(C)c1	ZINC000409412303	1069847339	/nfs/dbraw/zinc/84/73/39/1069847339.db2.gz	HFZGNBRAJTWLGM-UHFFFAOYSA-N	-1	3	554.426	5.658	40	5		KKBBHM
O=C(CSc1nnc(-c2cc(Br)ccc2[O-])n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-]	ZINC000409411554	1072795112	/nfs/dbraw/zinc/79/51/12/1072795112.db2.gz	JANDGQIJADCVTK-UHFFFAOYSA-N	-1	3	526.372	5.041	40	5		KKBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc3ccccc3c1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(Cl)cc1Cl	ZINC000001899427	551729950	/nfs/dbraw/zinc/72/99/50/551729950.db2.gz	WEYAEDVRPLAJQN-SDHOMARFSA-N	-1	3	534.355	6.106	40	5		KKBBHM
CCOc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(Cl)cc2Cl)c1	ZINC000097955036	553827482	/nfs/dbraw/zinc/82/74/82/553827482.db2.gz	YAXQSZGROMJYRA-VABKMULXSA-N	-1	3	528.348	5.351	40	5		KKBBHM
CCCCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000100951656	554537564	/nfs/dbraw/zinc/53/75/64/554537564.db2.gz	WNUSWKUQRMNRRP-PFBJBMPXSA-N	-1	3	515.566	5.605	40	5		KKBBHM
CCCCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000100951653	554537568	/nfs/dbraw/zinc/53/75/68/554537568.db2.gz	WNUSWKUQRMNRRP-PVHODMMVSA-N	-1	3	515.566	5.605	40	5		KKBBHM
CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000101249653	554693782	/nfs/dbraw/zinc/69/37/82/554693782.db2.gz	NOMWOLSPSJFZEY-HJOGWXRNSA-N	-1	3	507.930	5.088	40	5		KKBBHM
CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1	ZINC000102449197	554931063	/nfs/dbraw/zinc/93/10/63/554931063.db2.gz	XSUMLPOZXOCJPB-KCHLEUMXSA-N	-1	3	555.612	6.163	40	5		KKBBHM
CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC)c(Br)c2)cc1	ZINC000102556678	554964849	/nfs/dbraw/zinc/96/48/49/554964849.db2.gz	PWBZMRUOQXZBRM-SDHOMARFSA-N	-1	3	582.407	5.206	40	5		KKBBHM
COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@H]3c1ccccc1[N+](=O)[O-])C[C@@H](C(C)(C)C)CC2	ZINC000102869545	555099155	/nfs/dbraw/zinc/09/91/55/555099155.db2.gz	KNSZFXQHZICIMJ-QQMCDRLVSA-N	-1	3	589.670	5.645	40	5		KKBBHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1	ZINC000102872834	555103422	/nfs/dbraw/zinc/10/34/22/555103422.db2.gz	ZOBFGCHQGWUOAD-PVHODMMVSA-N	-1	3	606.012	5.067	40	5		KKBBHM
COc1ccc(Br)cc1[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C2ON1c1cccc([N+](=O)[O-])c1	ZINC000102887110	555118215	/nfs/dbraw/zinc/11/82/15/555118215.db2.gz	ZTBXZOFYYWFZSK-FKBYEOEOSA-N	-1	3	558.772	5.070	40	5		KKBBHM
CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1	ZINC000102889852	555124448	/nfs/dbraw/zinc/12/44/48/555124448.db2.gz	MGXMYFRTHHVETP-OCBJUFRSSA-N	-1	3	593.592	5.654	40	5		KKBBHM
COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1	ZINC000102973818	555183592	/nfs/dbraw/zinc/18/35/92/555183592.db2.gz	ODVUFQBIYPEETO-SSBOKUKZSA-N	-1	3	579.565	5.182	40	5		KKBBHM
CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3[O-])nc2c1	ZINC000105311068	571396434	/nfs/dbraw/zinc/39/64/34/571396434.db2.gz	UWRDUOBKASJDHV-UHFFFAOYSA-N	-1	3	531.594	5.398	40	5		KKBBHM
CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3[O-])nc2c1	ZINC000105311070	571396537	/nfs/dbraw/zinc/39/65/37/571396537.db2.gz	CMHQLOSYLGRXJK-UHFFFAOYSA-N	-1	3	528.546	6.058	40	5		KKBBHM
O=C(NC(=S)Nc1ccc([O-])c(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000105311105	571396653	/nfs/dbraw/zinc/39/66/53/571396653.db2.gz	QTGCTHAABSHEIV-UHFFFAOYSA-N	-1	3	537.985	5.489	40	5		KKBBHM
O=C([N-]c1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1ccc([N+](=O)[O-])o1	ZINC000105319235	571401424	/nfs/dbraw/zinc/40/14/24/571401424.db2.gz	SGVHJKVHZNJQQC-UHFFFAOYSA-N	-1	3	523.162	6.242	40	5		KKBBHM
CCOC(=O)c1sc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)c(C(=O)OC)c1C	ZINC000150441543	571498556	/nfs/dbraw/zinc/49/85/56/571498556.db2.gz	FXZOKGRNFKHJRE-IARZGTGTSA-N	-1	3	715.693	5.207	40	5		KKBBHM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@@H](c2ccccc2[N+](=O)[O-])N3Cc2ccccc2)cc1	ZINC000408528849	572165990	/nfs/dbraw/zinc/16/59/90/572165990.db2.gz	LNYYLFMGZFVWTC-UMSFTDKQSA-N	-1	3	634.714	7.078	40	5		KKBBHM
CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N3Cc2ccccc2)cc1	ZINC000408530846	572173468	/nfs/dbraw/zinc/17/34/68/572173468.db2.gz	RVJPYOGUYSCYJC-DHUJRADRSA-N	-1	3	648.741	7.469	40	5		KKBBHM
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@H](c2ccccc2[N+](=O)[O-])N3Cc2ccccc2)cc1	ZINC000408531639	572176558	/nfs/dbraw/zinc/17/65/58/572176558.db2.gz	VOYLXFNCGKDSTQ-UUWRZZSWSA-N	-1	3	618.715	7.378	40	5		KKBBHM
Cc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)nnc2-c2ccccc2[O-])c(C)c1	ZINC000408542439	572210558	/nfs/dbraw/zinc/21/05/58/572210558.db2.gz	IVCDVIDXQFPWHN-UHFFFAOYSA-N	-1	3	509.975	5.549	40	5		KKBBHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3)cc2)cc1C	ZINC000408926967	1071070225	/nfs/dbraw/zinc/07/02/25/1071070225.db2.gz	WVXSBBKMSJWRTK-TURZUDJPSA-N	-1	3	527.602	6.192	40	5		KKBBHM
Cc1[n-][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	ZINC000409053851	1071937181	/nfs/dbraw/zinc/93/71/81/1071937181.db2.gz	DBLCVGHQVILNQM-UHFFFAOYSA-N	-1	3	687.232	5.037	40	5		KKBBHM
O=C(CSc1nnc(-c2cc(Br)ccc2[O-])n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1	ZINC000409412148	1072789798	/nfs/dbraw/zinc/78/97/98/1072789798.db2.gz	SCIGOLIRVYIPAO-UHFFFAOYSA-N	-1	3	526.372	5.041	40	5		KKBBHM
CCOc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(C)cc(C)c4o3)c2)cc1[N+](=O)[O-]	ZINC000008835188	553161539	/nfs/dbraw/zinc/16/15/39/553161539.db2.gz	QFPSMZXCLIMRAD-UHFFFAOYSA-N	-1	3	506.540	5.251	40	5		KKBBHM
O=C([N-]c1ccc2oc(-c3cc(I)ccc3Br)nc2c1)c1ccc([N+](=O)[O-])o1	ZINC000100363920	554348810	/nfs/dbraw/zinc/34/88/10/554348810.db2.gz	POKNALRERJQDAE-UHFFFAOYSA-N	-1	3	554.094	5.615	40	5		KKBBHM
Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3[O-])nc2c1	ZINC000059331506	554388853	/nfs/dbraw/zinc/38/88/53/554388853.db2.gz	PPUGTBUCYBCAKB-UHFFFAOYSA-N	-1	3	517.567	5.144	40	5		KKBBHM
O=C1[N-]C(=O)C(=Cc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)S1	ZINC000100946248	554534282	/nfs/dbraw/zinc/53/42/82/554534282.db2.gz	RSFBOCXCIPQXCU-AUWJEWJLSA-N	-1	3	514.151	5.023	40	5		KKBBHM
O=C([O-])c1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(-c5ccc([N+](=O)[O-])cc5)s4)[C@H]3C2=O)cc1	ZINC000102712929	555017309	/nfs/dbraw/zinc/01/73/09/555017309.db2.gz	ZPYUWLTTYHWHBP-DSITVLBTSA-N	-1	3	541.541	5.073	40	5		KKBBHM
O=C(Oc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1	ZINC000102877146	555106637	/nfs/dbraw/zinc/10/66/37/555106637.db2.gz	FHJDUXIIMCMZBY-PVHODMMVSA-N	-1	3	604.402	6.172	40	5		KKBBHM
CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1cccs1)C(=C([O-])c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21	ZINC000103554057	555445091	/nfs/dbraw/zinc/44/50/91/555445091.db2.gz	PPCVFMUUBPASDY-FFAHVWSXSA-N	-1	3	561.619	5.903	40	5		KKBBHM
CC1=C[C@H]2N(c3ccccc31)[C@@H](C(=O)c1cccs1)C(=C([O-])c1cccc([N+](=O)[O-])c1)[C@@]21C(=O)Nc2ccccc21	ZINC000103554052	555445192	/nfs/dbraw/zinc/44/51/92/555445192.db2.gz	PPCVFMUUBPASDY-IDSQFFPFSA-N	-1	3	561.619	5.903	40	5		KKBBHM
O=C([N-]c1cc(-c2nc3ccccc3s2)c(Cl)cc1Cl)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000105222445	571392242	/nfs/dbraw/zinc/39/22/42/571392242.db2.gz	LLBGNLZJSVTZSJ-UHFFFAOYSA-N	-1	3	534.833	8.299	40	5		KKBBHM
Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3[O-])oc2c(C)c1	ZINC000105310980	571396454	/nfs/dbraw/zinc/39/64/54/571396454.db2.gz	KIKKSUSWBOUAQD-UHFFFAOYSA-N	-1	3	528.546	6.112	40	5		KKBBHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1	ZINC000150449900	571502092	/nfs/dbraw/zinc/50/20/92/571502092.db2.gz	WHUILLXMHGBPRO-PVHODMMVSA-N	-1	3	650.463	5.176	40	5		KKBBHM
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])o1	ZINC000224884317	571626523	/nfs/dbraw/zinc/62/65/23/571626523.db2.gz	UZVJGQDTODCLAQ-DNQXCXABSA-N	-1	3	522.970	5.795	40	5		KKBBHM
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)N3Cc2ccccc2)cc1	ZINC000408526736	572158361	/nfs/dbraw/zinc/15/83/61/572158361.db2.gz	ASTNCVSRQVLRBN-UUWRZZSWSA-N	-1	3	618.715	7.378	40	5		KKBBHM
Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)nnc2-c2cc(Br)ccc2[O-])c(C)c1	ZINC000409412515	1072786298	/nfs/dbraw/zinc/78/62/98/1072786298.db2.gz	RLWJOEIJKQLHRB-UHFFFAOYSA-N	-1	3	588.871	6.312	40	5		KKBBHM
COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000409177299	1072823798	/nfs/dbraw/zinc/82/37/98/1072823798.db2.gz	CVNAHLQENCIQSF-UHFFFAOYSA-N	-1	3	673.169	5.817	40	5		KKBBHM
O=c1[n-]c(-c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)nc2ccccc12	ZINC000409254151	1073175121	/nfs/dbraw/zinc/17/51/21/1073175121.db2.gz	DHIVLMCMOJWSSP-UHFFFAOYSA-N	-1	3	531.160	6.015	40	5		KKBBHM
COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1Br	ZINC000001311057	551639611	/nfs/dbraw/zinc/63/96/11/551639611.db2.gz	SOBMLYLWTNXPKK-ZNZIZOMTSA-N	-1	3	574.387	5.570	40	5		KKBBHM
CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000101213095	554680519	/nfs/dbraw/zinc/68/05/19/554680519.db2.gz	FVWZUVLOVQAJFF-SGNDLWITSA-N	-1	3	507.930	5.088	40	5		KKBBHM
O=C(Oc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1	ZINC000102877152	555106609	/nfs/dbraw/zinc/10/66/09/555106609.db2.gz	FHJDUXIIMCMZBY-QKDODKLFSA-N	-1	3	604.402	6.172	40	5		KKBBHM
CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1	ZINC000102889854	555124386	/nfs/dbraw/zinc/12/43/86/555124386.db2.gz	MGXMYFRTHHVETP-JBOQNHBVSA-N	-1	3	593.592	5.654	40	5		KKBBHM
CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1	ZINC000102899404	555139131	/nfs/dbraw/zinc/13/91/31/555139131.db2.gz	PXYSLKZLVKDHQE-NHKHRBQYSA-N	-1	3	579.565	5.264	40	5		KKBBHM
O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c([O-])c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000105480022	571405034	/nfs/dbraw/zinc/40/50/34/571405034.db2.gz	CNHHYEAWHCTFOF-UHFFFAOYSA-N	-1	3	516.560	5.964	40	5		KKBBHM
COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@H]3c1ccc(OC(=O)c3ccccc3)c(OC)c1)C[C@@H](C(C)(C)C)CC2	ZINC000150437033	571496664	/nfs/dbraw/zinc/49/66/64/571496664.db2.gz	ZSYZZLHPWWHBHK-HONGJKJWSA-N	-1	3	739.803	6.873	40	5		KKBBHM
Cn1ncc(Cl)c1C(=O)Oc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000150449888	571502146	/nfs/dbraw/zinc/50/21/46/571502146.db2.gz	DLKFXFHHWOSJMG-LSQMVHIFSA-N	-1	3	652.845	5.015	40	5		KKBBHM
CCOc1ccc(N2C(=O)c3cc(S(=O)(=O)[N-]c4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000150509174	571519637	/nfs/dbraw/zinc/51/96/37/571519637.db2.gz	IBNIDBBHSAUJDB-DHUJRADRSA-N	-1	3	648.741	7.469	40	5		KKBBHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)cc2)cc1C	ZINC000211049158	571576165	/nfs/dbraw/zinc/57/61/65/571576165.db2.gz	WFPOWKOOLSJUFH-TURZUDJPSA-N	-1	3	527.602	6.192	40	5		KKBBHM
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])o1	ZINC000224884397	571626542	/nfs/dbraw/zinc/62/65/42/571626542.db2.gz	UZVJGQDTODCLAQ-BJKOFHAPSA-N	-1	3	522.970	5.795	40	5		KKBBHM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N3Cc2ccccc2)cc1	ZINC000408526788	572158316	/nfs/dbraw/zinc/15/83/16/572158316.db2.gz	BFSAVVLMATUQPZ-UMSFTDKQSA-N	-1	3	634.714	7.078	40	5		KKBBHM
COc1ccc(N2C(=O)c3cc(S(=O)(=O)[N-]c4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000408526890	572158837	/nfs/dbraw/zinc/15/88/37/572158837.db2.gz	CBCYXIRHQOJQKQ-UMSFTDKQSA-N	-1	3	634.714	7.078	40	5		KKBBHM
COc1ccc(N2C(=O)c3cc(S(=O)(=O)[N-]c4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000408530970	572173953	/nfs/dbraw/zinc/17/39/53/572173953.db2.gz	SYSYXQPBGAYWOH-UMSFTDKQSA-N	-1	3	634.714	7.078	40	5		KKBBHM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000408924198	1070241948	/nfs/dbraw/zinc/24/19/48/1070241948.db2.gz	DJTSMWFWTYCJBM-NLRVBDNBSA-N	-1	3	517.538	5.714	40	5		KKBBHM
Cc1cc(Br)ccc1-c1c2cccc3c2c(cc1[N+](=O)[O-])C(=O)N(c1ccccc1[O-])C3=O	ZINC000408758417	1071706512	/nfs/dbraw/zinc/70/65/12/1071706512.db2.gz	ZXNAXUCYAXKQBP-UHFFFAOYSA-N	-1	3	503.308	5.992	40	5		KKBBHM
[O-]c1ccccc1-c1nnc2sc3c(Cl)c4nn5c(nnc5-c5ccccc5O)sc4c(Cl)c3nn21	ZINC000001572436	551684934	/nfs/dbraw/zinc/68/49/34/551684934.db2.gz	NWIVVXCOKNYZAB-UHFFFAOYSA-N	-1	3	553.416	5.606	40	5		KKBBHM
O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(Cl)cc1Cl	ZINC000001778630	551697931	/nfs/dbraw/zinc/69/79/31/551697931.db2.gz	XPVKFGFAWTVPEG-SDHOMARFSA-N	-1	3	534.355	6.106	40	5		KKBBHM
CCOc1ccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4s3)c2)cc1[N+](=O)[O-]	ZINC000005949397	552516355	/nfs/dbraw/zinc/51/63/55/552516355.db2.gz	IXTUQKKIPMRVFV-UHFFFAOYSA-N	-1	3	508.581	5.411	40	5		KKBBHM
O=C(Nc1cccc(Cl)c1C(=O)c1ccccc1)C(=S)[N-]CCNc1ccc([N+](=O)[O-])cc1Cl	ZINC000012375946	553361211	/nfs/dbraw/zinc/36/12/11/553361211.db2.gz	SSIREDAYZBNPMS-UHFFFAOYSA-N	-1	3	517.394	5.100	40	5		KKBBHM
Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3[O-])oc2c1	ZINC000014275138	553508089	/nfs/dbraw/zinc/50/80/89/553508089.db2.gz	MWMUPYMVEYHCJJ-UHFFFAOYSA-N	-1	3	514.519	5.804	40	5		KKBBHM
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc([N+](=O)[O-])cc2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1	ZINC000097954697	553825015	/nfs/dbraw/zinc/82/50/15/553825015.db2.gz	WHORAWYKUZATPJ-KCHLEUMXSA-N	-1	3	549.539	5.174	40	5		KKBBHM
CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000035147465	554036139	/nfs/dbraw/zinc/03/61/39/554036139.db2.gz	JSTGVWFTENLIFM-SANMLTNESA-N	-1	3	512.522	5.310	40	5		KKBBHM
CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000035147465	554036143	/nfs/dbraw/zinc/03/61/43/554036143.db2.gz	JSTGVWFTENLIFM-SANMLTNESA-N	-1	3	512.522	5.310	40	5		KKBBHM
Cc1cc2nc(-c3ccc(Cl)c([N-]C(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)c3)oc2c(C)c1	ZINC000057313848	554354291	/nfs/dbraw/zinc/35/42/91/554354291.db2.gz	JZHGMNKIIHWRIY-UHFFFAOYSA-N	-1	3	512.374	7.794	40	5		KKBBHM
O=C(NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000059331429	554388613	/nfs/dbraw/zinc/38/86/13/554388613.db2.gz	FKJKKEUUIJLMSU-UHFFFAOYSA-N	-1	3	517.567	5.226	40	5		KKBBHM
Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3[O-])oc2c1	ZINC000059331541	554389264	/nfs/dbraw/zinc/38/92/64/554389264.db2.gz	CMHGSAXRXFWNST-UHFFFAOYSA-N	-1	3	517.567	5.144	40	5		KKBBHM
CCc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101201075	554672767	/nfs/dbraw/zinc/67/27/67/554672767.db2.gz	AOALKDZKDYFDQM-VABKMULXSA-N	-1	3	512.349	5.515	40	5		KKBBHM
CCOc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(Cl)cc2Cl)c1	ZINC000101217456	554684823	/nfs/dbraw/zinc/68/48/23/554684823.db2.gz	YAXQSZGROMJYRA-ZLNRFVROSA-N	-1	3	528.348	5.351	40	5		KKBBHM
CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1	ZINC000101519660	554794042	/nfs/dbraw/zinc/79/40/42/554794042.db2.gz	SEYMZTBNRWSFSB-NGDRWEMDSA-N	-1	3	565.582	5.624	40	5		KKBBHM
CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OCc3ccccc3)c(OCC)c2)cc1	ZINC000101529638	554794503	/nfs/dbraw/zinc/79/45/03/554794503.db2.gz	XFILOKFZRPTWTH-CEUYOYMZSA-N	-1	3	623.662	6.412	40	5		KKBBHM
CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1	ZINC000102449209	554931083	/nfs/dbraw/zinc/93/10/83/554931083.db2.gz	XSUMLPOZXOCJPB-IARZGTGTSA-N	-1	3	555.612	6.163	40	5		KKBBHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000102747796	555041566	/nfs/dbraw/zinc/04/15/66/555041566.db2.gz	HYBUQLUCDVUQJM-SDHSZQHLSA-N	-1	3	515.909	5.559	40	5		KKBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	ZINC000102754668	555046656	/nfs/dbraw/zinc/04/66/56/555046656.db2.gz	WVLGEHNEHBKCGS-GVAUOCQISA-N	-1	3	550.354	6.213	40	5		KKBBHM
COc1cc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1	ZINC000102877564	555106960	/nfs/dbraw/zinc/10/69/60/555106960.db2.gz	SUUFERUYZMLAHJ-AWCRTANDSA-N	-1	3	614.010	5.836	40	5		KKBBHM
Cn1ncc(Cl)c1C(=O)Oc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000150449881	571502267	/nfs/dbraw/zinc/50/22/67/571502267.db2.gz	DLKFXFHHWOSJMG-CUYJMHBOSA-N	-1	3	652.845	5.015	40	5		KKBBHM
CCOc1ccc(N2C(=O)c3cc(S(=O)(=O)[N-]c4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1	ZINC000408527737	572161552	/nfs/dbraw/zinc/16/15/52/572161552.db2.gz	HHGBRMQROXYVJS-DHUJRADRSA-N	-1	3	648.741	7.469	40	5		KKBBHM
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1	ZINC000408920390	1070225864	/nfs/dbraw/zinc/22/58/64/1070225864.db2.gz	FVJHRRQBGDJEOG-ZXVVBBHZSA-N	-1	3	527.602	6.192	40	5		KKBBHM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3)cc2)cc1	ZINC000408921740	1071094027	/nfs/dbraw/zinc/09/40/27/1071094027.db2.gz	WKINJPTWVSSXAV-ZXVVBBHZSA-N	-1	3	529.574	5.584	40	5		KKBBHM
Cc1[n-][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	ZINC000409361353	1072601230	/nfs/dbraw/zinc/60/12/30/1072601230.db2.gz	GZQBKWFRZNIAEM-UHFFFAOYSA-N	-1	3	593.232	5.353	40	5		KKBBHM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)ccc3OC)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1	ZINC000409181756	1072795199	/nfs/dbraw/zinc/79/51/99/1072795199.db2.gz	DHQZMMIPZMGIGG-UHFFFAOYSA-N	-1	3	675.141	5.209	40	5		KKBBHM
CCOc1ccc(Oc2cc([N-]C(=O)c3nc4nc(-c5ccccc5)cc(C(F)(F)F)n4n3)cc([N+](=O)[O-])c2)cc1	ZINC000000855934	551550432	/nfs/dbraw/zinc/55/04/32/551550432.db2.gz	UOFFKHBLOUBUFN-UHFFFAOYSA-N	-1	3	564.480	6.162	40	5		KKBBHM
Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(OC(=O)c2ccccc2)cc1	ZINC000001316350	551640652	/nfs/dbraw/zinc/64/06/52/551640652.db2.gz	WUEIGWUXFIVMAO-KCHLEUMXSA-N	-1	3	549.539	5.174	40	5		KKBBHM
CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000035147459	554036098	/nfs/dbraw/zinc/03/60/98/554036098.db2.gz	ZZRCKEOUYOLDIC-AREMUKBSSA-N	-1	3	512.522	5.310	40	5		KKBBHM
CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000035147459	554036096	/nfs/dbraw/zinc/03/60/96/554036096.db2.gz	ZZRCKEOUYOLDIC-AREMUKBSSA-N	-1	3	512.522	5.310	40	5		KKBBHM
CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccc(Cl)cc1)[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000100816048	554476469	/nfs/dbraw/zinc/47/64/69/554476469.db2.gz	NDDWDIUNRULTLD-FSSWDIPSSA-N	-1	3	555.996	5.154	40	5		KKBBHM
Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)c1	ZINC000101128623	554646946	/nfs/dbraw/zinc/64/69/46/554646946.db2.gz	KEIOUNZRSOINTR-PKTNWEFCSA-N	-1	3	549.539	5.174	40	5		KKBBHM
COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1	ZINC000101513165	554793403	/nfs/dbraw/zinc/79/34/03/554793403.db2.gz	ODVUFQBIYPEETO-ULNSLHSMSA-N	-1	3	579.565	5.182	40	5		KKBBHM
CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OCc3ccccc3)c(OCC)c2)cc1	ZINC000101529648	554794600	/nfs/dbraw/zinc/79/46/00/554794600.db2.gz	XFILOKFZRPTWTH-SLGZMBILSA-N	-1	3	623.662	6.412	40	5		KKBBHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2)s1	ZINC000102710030	555016135	/nfs/dbraw/zinc/01/61/35/555016135.db2.gz	ACWZLUCEXNVHEH-SDHSZQHLSA-N	-1	3	531.977	6.028	40	5		KKBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@H]2c1c2ccccc2cc2ccccc21	ZINC000102739770	555028704	/nfs/dbraw/zinc/02/87/04/555028704.db2.gz	JWHXOMINVDSPGA-AWCRTANDSA-N	-1	3	539.418	7.351	40	5		KKBBHM
COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@H]3c1ccccc1[N+](=O)[O-])C[C@H](C(C)(C)C)CC2	ZINC000102869541	555099179	/nfs/dbraw/zinc/09/91/79/555099179.db2.gz	KNSZFXQHZICIMJ-XRNKBYASSA-N	-1	3	589.670	5.645	40	5		KKBBHM
COc1cc([C@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1	ZINC000102896312	555136033	/nfs/dbraw/zinc/13/60/33/555136033.db2.gz	LBNYTRPIGAZBEM-AWCRTANDSA-N	-1	3	579.565	5.182	40	5		KKBBHM
CC1=C[C@@H]2N(c3ccccc31)[C@@H](C(=O)c1cccs1)C(=C([O-])c1cccc([N+](=O)[O-])c1)[C@]21C(=O)Nc2ccccc21	ZINC000103554061	555445487	/nfs/dbraw/zinc/44/54/87/555445487.db2.gz	PPCVFMUUBPASDY-NAQGONTDSA-N	-1	3	561.619	5.903	40	5		KKBBHM
Cc1cc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc(-c2nc3ccccc3s2)c1[O-]	ZINC000105310756	571396302	/nfs/dbraw/zinc/39/63/02/571396302.db2.gz	CBENZINFYRULEV-UHFFFAOYSA-N	-1	3	530.587	6.272	40	5		KKBBHM
Cc1cc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc(-c2nc3ccccc3s2)c1[O-]	ZINC000105310752	571396336	/nfs/dbraw/zinc/39/63/36/571396336.db2.gz	OKDFVTDCIIBVFJ-UHFFFAOYSA-N	-1	3	533.635	5.613	40	5		KKBBHM
Cc1ccc(-c2nc([N-]C(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000105576370	571407663	/nfs/dbraw/zinc/40/76/63/571407663.db2.gz	DYMVDXONUDFGIP-UHFFFAOYSA-N	-1	3	505.468	5.762	40	5		KKBBHM
COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@H]3c1ccc(OC(=O)c3ccccc3)c(OC)c1)C[C@@H](C(C)(C)C)CC2	ZINC000150437023	571496651	/nfs/dbraw/zinc/49/66/51/571496651.db2.gz	ZSYZZLHPWWHBHK-MIGOAREESA-N	-1	3	739.803	6.873	40	5		KKBBHM
O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000150441023	571498184	/nfs/dbraw/zinc/49/81/84/571498184.db2.gz	WRWDXTPZIZYFOL-LSIGONSASA-N	-1	3	672.119	7.394	40	5		KKBBHM
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1	ZINC000408926051	1070237743	/nfs/dbraw/zinc/23/77/43/1070237743.db2.gz	NJKMGCKXKKOMED-ZXVVBBHZSA-N	-1	3	527.602	6.192	40	5		KKBBHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3)cc2)c(C)c1	ZINC000408927497	1071197858	/nfs/dbraw/zinc/19/78/58/1071197858.db2.gz	WCZCMZMFPWBMSD-ZXVVBBHZSA-N	-1	3	527.602	6.192	40	5		KKBBHM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c([O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	ZINC000408733727	1071550200	/nfs/dbraw/zinc/55/02/00/1071550200.db2.gz	PCFXFCWCBJTJTE-QJWUKVPRSA-N	-1	3	674.913	5.097	40	5		KKBBHM
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cc3ccccc3cc2[O-])n1-c1ccccc1	ZINC000006280758	552576740	/nfs/dbraw/zinc/57/67/40/552576740.db2.gz	OBYWLBHSQORTPX-UHFFFAOYSA-N	-1	3	511.563	5.741	40	5		KKBBHM
CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000009345861	553244284	/nfs/dbraw/zinc/24/42/84/553244284.db2.gz	NOMWOLSPSJFZEY-SGNDLWITSA-N	-1	3	507.930	5.088	40	5		KKBBHM
CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccc(Cl)cc1)[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000097986472	554024326	/nfs/dbraw/zinc/02/43/26/554024326.db2.gz	NDDWDIUNRULTLD-FKBYEOEOSA-N	-1	3	555.996	5.154	40	5		KKBBHM
CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000035147461	554036021	/nfs/dbraw/zinc/03/60/21/554036021.db2.gz	ZZRCKEOUYOLDIC-SANMLTNESA-N	-1	3	512.522	5.310	40	5		KKBBHM
CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000035147461	554036024	/nfs/dbraw/zinc/03/60/24/554036024.db2.gz	ZZRCKEOUYOLDIC-SANMLTNESA-N	-1	3	512.522	5.310	40	5		KKBBHM
CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(OCC)cc4)c3[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000035147463	554036043	/nfs/dbraw/zinc/03/60/43/554036043.db2.gz	JSTGVWFTENLIFM-AREMUKBSSA-N	-1	3	512.522	5.310	40	5		KKBBHM
CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(OCC)cc4)c3[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000035147463	554036046	/nfs/dbraw/zinc/03/60/46/554036046.db2.gz	JSTGVWFTENLIFM-AREMUKBSSA-N	-1	3	512.522	5.310	40	5		KKBBHM
O=C(NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000059331505	554388821	/nfs/dbraw/zinc/38/88/21/554388821.db2.gz	SIHVOLWDFVZNCS-UHFFFAOYSA-N	-1	3	519.608	5.304	40	5		KKBBHM
Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc([N+](=O)[O-])cc2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1	ZINC000101155289	554658590	/nfs/dbraw/zinc/65/85/90/554658590.db2.gz	WHORAWYKUZATPJ-PKTNWEFCSA-N	-1	3	549.539	5.174	40	5		KKBBHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1F)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(Cl)cc1Cl	ZINC000101156957	554658805	/nfs/dbraw/zinc/65/88/05/554658805.db2.gz	NSKVQDNPYBRCIR-HKBOAZHASA-N	-1	3	502.285	5.092	40	5		KKBBHM
CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000101249656	554693821	/nfs/dbraw/zinc/69/38/21/554693821.db2.gz	NOMWOLSPSJFZEY-VXNXHJTFSA-N	-1	3	507.930	5.088	40	5		KKBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	ZINC000102744124	555035238	/nfs/dbraw/zinc/03/52/38/555035238.db2.gz	GUCSZVFFEVMVRB-SDHOMARFSA-N	-1	3	533.899	5.698	40	5		KKBBHM
O=C(Oc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1	ZINC000102871719	555102645	/nfs/dbraw/zinc/10/26/45/555102645.db2.gz	NZYFSQLOPMUSLX-QKDODKLFSA-N	-1	3	553.502	5.004	40	5		KKBBHM
COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1	ZINC000102890797	555126121	/nfs/dbraw/zinc/12/61/21/555126121.db2.gz	BVDAAQKWCKLXRL-KCHLEUMXSA-N	-1	3	583.528	5.013	40	5		KKBBHM
CC(C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3[O-])nc2c1	ZINC000105304599	571393251	/nfs/dbraw/zinc/39/32/51/571393251.db2.gz	LKHJLBOAVQOYOF-UHFFFAOYSA-N	-1	3	542.573	6.619	40	5		KKBBHM
Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3[O-])nc2c1	ZINC000105305858	571393943	/nfs/dbraw/zinc/39/39/43/571393943.db2.gz	YLIVYVJBZYFLAT-UHFFFAOYSA-N	-1	3	531.594	5.534	40	5		KKBBHM
CC(C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3[O-])nc2c1	ZINC000105306554	571394135	/nfs/dbraw/zinc/39/41/35/571394135.db2.gz	XZORILLSLJRPBK-UHFFFAOYSA-N	-1	3	561.620	5.195	40	5		KKBBHM
Cc1cc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc(-c2nc3ccccc3o2)c1[O-]	ZINC000105310789	571396368	/nfs/dbraw/zinc/39/63/68/571396368.db2.gz	JKURGXRGMBIOKC-UHFFFAOYSA-N	-1	3	531.594	5.534	40	5		KKBBHM
CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3[O-])nc2c1	ZINC000105311041	571396491	/nfs/dbraw/zinc/39/64/91/571396491.db2.gz	KBADPCURQBWOOL-UHFFFAOYSA-N	-1	3	528.546	6.058	40	5		KKBBHM
Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3[O-])oc2c(C)c1	ZINC000105310952	571396506	/nfs/dbraw/zinc/39/65/06/571396506.db2.gz	PAOFTDYGXOONGX-UHFFFAOYSA-N	-1	3	528.546	6.112	40	5		KKBBHM
O=C(NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000105491274	571405062	/nfs/dbraw/zinc/40/50/62/571405062.db2.gz	GEJINYFWMCDMHI-UHFFFAOYSA-N	-1	3	516.560	5.964	40	5		KKBBHM
COc1cc(Br)c(Br)c(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1[O-]	ZINC000106745653	571417433	/nfs/dbraw/zinc/41/74/33/571417433.db2.gz	VSOKVLJFVSZWND-NSIKDUERSA-N	-1	3	544.177	5.071	40	5		KKBBHM
CCOC(=O)c1sc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)c(C(=O)OC)c1C	ZINC000150441529	571498511	/nfs/dbraw/zinc/49/85/11/571498511.db2.gz	FXZOKGRNFKHJRE-PKTNWEFCSA-N	-1	3	715.693	5.207	40	5		KKBBHM
CCOC(=O)c1sc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)c(C(=O)OC)c1C	ZINC000150441539	571498564	/nfs/dbraw/zinc/49/85/64/571498564.db2.gz	FXZOKGRNFKHJRE-FCEKVYKBSA-N	-1	3	715.693	5.207	40	5		KKBBHM
CCOc1ccc(N2C(=O)c3cc(S(=O)(=O)[N-]c4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000150509171	571519694	/nfs/dbraw/zinc/51/96/94/571519694.db2.gz	IBNIDBBHSAUJDB-PGUFJCEWSA-N	-1	3	648.741	7.469	40	5		KKBBHM
CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)N3Cc2ccccc2)cc1	ZINC000408530618	572172286	/nfs/dbraw/zinc/17/22/86/572172286.db2.gz	PYQVSFRCONKDEB-DHUJRADRSA-N	-1	3	648.741	7.469	40	5		KKBBHM
COc1ccc(N2C(=O)c3cc(S(=O)(=O)[N-]c4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1	ZINC000408530963	572173832	/nfs/dbraw/zinc/17/38/32/572173832.db2.gz	SYPFZGJMNQOQET-UMSFTDKQSA-N	-1	3	634.714	7.078	40	5		KKBBHM
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@@H](c2ccccc2[N+](=O)[O-])N3Cc2ccccc2)cc1	ZINC000408531635	572176579	/nfs/dbraw/zinc/17/65/79/572176579.db2.gz	VOYLXFNCGKDSTQ-UMSFTDKQSA-N	-1	3	618.715	7.378	40	5		KKBBHM
Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)nnc2-c2cc(Br)ccc2[O-])c(C)c1	ZINC000408542647	572210545	/nfs/dbraw/zinc/21/05/45/572210545.db2.gz	KJXVCVVZSODOBJ-UHFFFAOYSA-N	-1	3	568.453	5.967	40	5		KKBBHM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)cc2)cc1	ZINC000408920192	1071110508	/nfs/dbraw/zinc/11/05/08/1071110508.db2.gz	AQUHVKRLKHDAFO-ZXVVBBHZSA-N	-1	3	529.574	5.584	40	5		KKBBHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)cc2)cc1	ZINC000409176845	1072706781	/nfs/dbraw/zinc/70/67/81/1072706781.db2.gz	ZGGICASAULDJMT-ZXVVBBHZSA-N	-1	3	513.575	5.883	40	5		KKBBHM
O=C(CSc1nnc(-c2cc(Br)ccc2[O-])n1-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000409411701	1072793992	/nfs/dbraw/zinc/79/39/92/1072793992.db2.gz	KEODHBOBQCHZHQ-UHFFFAOYSA-N	-1	3	560.817	5.695	40	5		KKBBHM
CCOC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1C)[C@@H]3c1ccc([N+](=O)[O-])cc1)CCCC2	ZINC000000950926	551589130	/nfs/dbraw/zinc/58/91/30/551589130.db2.gz	GAKOOUXIFVPRHC-GVAUOCQISA-N	-1	3	561.616	5.071	40	5		KKBBHM
CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000009500081	553275211	/nfs/dbraw/zinc/27/52/11/553275211.db2.gz	FVWZUVLOVQAJFF-VXNXHJTFSA-N	-1	3	507.930	5.088	40	5		KKBBHM
O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c32)C(=O)N1c1ccc(S(=O)(=O)[N-]c2ccccc2Br)cc1	ZINC000101141550	554653453	/nfs/dbraw/zinc/65/34/53/554653453.db2.gz	QUBLHPRIGQCVTB-UHFFFAOYSA-N	-1	3	597.359	5.020	40	5		KKBBHM
O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(Cl)cc1Cl	ZINC000101176284	554664224	/nfs/dbraw/zinc/66/42/24/554664224.db2.gz	XPVKFGFAWTVPEG-SDHSZQHLSA-N	-1	3	534.355	6.106	40	5		KKBBHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccccc1Cl	ZINC000101242258	554693396	/nfs/dbraw/zinc/69/33/96/554693396.db2.gz	VOSIDTGGCYSXFF-HKBOAZHASA-N	-1	3	518.740	5.606	40	5		KKBBHM
COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1Br	ZINC000102555956	554964335	/nfs/dbraw/zinc/96/43/35/554964335.db2.gz	SOBMLYLWTNXPKK-GSDHBNRESA-N	-1	3	574.387	5.570	40	5		KKBBHM
O=C([O-])c1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(-c5ccc([N+](=O)[O-])cc5)s4)[C@@H]3C2=O)cc1	ZINC000102712920	555017347	/nfs/dbraw/zinc/01/73/47/555017347.db2.gz	ZPYUWLTTYHWHBP-SDHOMARFSA-N	-1	3	541.541	5.073	40	5		KKBBHM
CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1OCC	ZINC000102748567	555042838	/nfs/dbraw/zinc/04/28/38/555042838.db2.gz	JUHLQQJCOCXAQM-KWXIBIRDSA-N	-1	3	531.565	5.224	40	5		KKBBHM
COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@H]3c1ccccc1[N+](=O)[O-])C[C@@H](C(C)(C)C)CC2	ZINC000102869538	555099147	/nfs/dbraw/zinc/09/91/47/555099147.db2.gz	KNSZFXQHZICIMJ-RRGUOAIQSA-N	-1	3	589.670	5.645	40	5		KKBBHM
O=C(NC(=S)Nc1ccc([O-])c(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000105311098	571396483	/nfs/dbraw/zinc/39/64/83/571396483.db2.gz	MWJHOBWQOXLUIR-UHFFFAOYSA-N	-1	3	552.012	5.879	40	5		KKBBHM
Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3[O-])oc2c(C)c1	ZINC000105310976	571396522	/nfs/dbraw/zinc/39/65/22/571396522.db2.gz	PSDGIGXHJPSUGL-UHFFFAOYSA-N	-1	3	531.594	5.452	40	5		KKBBHM
O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000150441022	571498218	/nfs/dbraw/zinc/49/82/18/571498218.db2.gz	WRWDXTPZIZYFOL-RJRATBSMSA-N	-1	3	672.119	7.394	40	5		KKBBHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1	ZINC000150449896	571502207	/nfs/dbraw/zinc/50/22/07/571502207.db2.gz	WHUILLXMHGBPRO-PFBJBMPXSA-N	-1	3	650.463	5.176	40	5		KKBBHM
CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1	ZINC000150454885	571504160	/nfs/dbraw/zinc/50/41/60/571504160.db2.gz	KCQXYCBKGSSDBT-OCBJUFRSSA-N	-1	3	629.647	5.202	40	5		KKBBHM
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000197829034	571565442	/nfs/dbraw/zinc/56/54/42/571565442.db2.gz	LCLZZMIJMCWCRL-UHFFFAOYSA-N	-1	3	638.724	5.163	40	5		KKBBHM
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000198310941	571566926	/nfs/dbraw/zinc/56/69/26/571566926.db2.gz	CPDFOIWFAKXJKR-UHFFFAOYSA-N	-1	3	679.560	5.853	40	5		KKBBHM
COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])o1	ZINC000224884434	571626537	/nfs/dbraw/zinc/62/65/37/571626537.db2.gz	UZVJGQDTODCLAQ-ZEQRLZLVSA-N	-1	3	522.970	5.795	40	5		KKBBHM
O=c1sc2cc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3Cl)ccc2n1Cc1ccccc1Cl	ZINC000225804592	572072027	/nfs/dbraw/zinc/07/20/27/572072027.db2.gz	KNOLFCZHKWOMMS-UHFFFAOYSA-N	-1	3	510.380	5.127	40	5		KKBBHM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)N3Cc2ccccc2)cc1	ZINC000408526792	572158165	/nfs/dbraw/zinc/15/81/65/572158165.db2.gz	BFSAVVLMATUQPZ-UUWRZZSWSA-N	-1	3	634.714	7.078	40	5		KKBBHM
CCOc1ccc(N2C(=O)c3cc(S(=O)(=O)[N-]c4ccc(C)cc4)ccc3N(Cc3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1	ZINC000408527741	572161361	/nfs/dbraw/zinc/16/13/61/572161361.db2.gz	HHGBRMQROXYVJS-PGUFJCEWSA-N	-1	3	648.741	7.469	40	5		KKBBHM
O=c1[n-]c(-c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)nc2ccccc12	ZINC000409259318	1069847294	/nfs/dbraw/zinc/84/72/94/1069847294.db2.gz	YIOPGCWWPSVNJH-UHFFFAOYSA-N	-1	3	506.234	6.484	40	5		KKBBHM
Cc1cc(-c2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2ccccc2[O-])C4=O)ccc1Br	ZINC000408757264	1071712514	/nfs/dbraw/zinc/71/25/14/1071712514.db2.gz	LNCSTNLFACQAMT-UHFFFAOYSA-N	-1	3	503.308	5.992	40	5		KKBBHM
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cc(Br)ccc2[O-])n1-c1ccccc1	ZINC000409412628	1072787036	/nfs/dbraw/zinc/78/70/36/1072787036.db2.gz	YUEPUEYXTPQGDO-UHFFFAOYSA-N	-1	3	540.399	5.350	40	5		KKBBHM
O=C(CSc1nnc(-c2cc(Br)ccc2[O-])n1-c1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1	ZINC000409412463	1072787652	/nfs/dbraw/zinc/78/76/52/1072787652.db2.gz	MIZYGDFTECBGPE-UHFFFAOYSA-N	-1	3	544.362	5.181	40	5		KKBBHM
Cc1ccc(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2-c2ccccc2)cc1[N+](=O)[O-]	ZINC000409412220	1072788293	/nfs/dbraw/zinc/78/82/93/1072788293.db2.gz	UFYXCHGDSZMVQE-UHFFFAOYSA-N	-1	3	540.399	5.350	40	5		KKBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1F)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(Cl)cc1Cl	ZINC000009361089	553248651	/nfs/dbraw/zinc/24/86/51/553248651.db2.gz	NSKVQDNPYBRCIR-HBMCJLEFSA-N	-1	3	502.285	5.092	40	5		KKBBHM
CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000017920759	553600753	/nfs/dbraw/zinc/60/07/53/553600753.db2.gz	AOALKDZKDYFDQM-VJBWXMMDSA-N	-1	3	512.349	5.515	40	5		KKBBHM
Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(OC(=O)c2ccccc2)cc1	ZINC000101111122	554641626	/nfs/dbraw/zinc/64/16/26/554641626.db2.gz	WUEIGWUXFIVMAO-PKTNWEFCSA-N	-1	3	549.539	5.174	40	5		KKBBHM
CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1OCC	ZINC000101126941	554646022	/nfs/dbraw/zinc/64/60/22/554646022.db2.gz	JUHLQQJCOCXAQM-PVHODMMVSA-N	-1	3	531.565	5.224	40	5		KKBBHM
Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc([N+](=O)[O-])cc2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1	ZINC000101155294	554658657	/nfs/dbraw/zinc/65/86/57/554658657.db2.gz	WHORAWYKUZATPJ-FCEKVYKBSA-N	-1	3	549.539	5.174	40	5		KKBBHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccccc1Cl	ZINC000101242252	554693374	/nfs/dbraw/zinc/69/33/74/554693374.db2.gz	VOSIDTGGCYSXFF-NJYVYQBISA-N	-1	3	518.740	5.606	40	5		KKBBHM
CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC)c(Br)c2)cc1	ZINC000102556680	554964894	/nfs/dbraw/zinc/96/48/94/554964894.db2.gz	PWBZMRUOQXZBRM-SDHSZQHLSA-N	-1	3	582.407	5.206	40	5		KKBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(Cl)cc1Cl	ZINC000102744261	555035433	/nfs/dbraw/zinc/03/54/33/555035433.db2.gz	XROAXZMEDVJKCF-ACRUOGEOSA-N	-1	3	502.285	5.092	40	5		KKBBHM
O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(Cl)cc1Cl	ZINC000102744269	555035546	/nfs/dbraw/zinc/03/55/46/555035546.db2.gz	XROAXZMEDVJKCF-HKBOAZHASA-N	-1	3	502.285	5.092	40	5		KKBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	ZINC000102748476	555042571	/nfs/dbraw/zinc/04/25/71/555042571.db2.gz	VFDJNELIPCLBFQ-GVAUOCQISA-N	-1	3	550.354	6.213	40	5		KKBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1	ZINC000102872836	555103556	/nfs/dbraw/zinc/10/35/56/555103556.db2.gz	ZOBFGCHQGWUOAD-VJGNERBWSA-N	-1	3	606.012	5.067	40	5		KKBBHM
COc1cc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1	ZINC000102896310	555135997	/nfs/dbraw/zinc/13/59/97/555135997.db2.gz	LBNYTRPIGAZBEM-ULNSLHSMSA-N	-1	3	579.565	5.182	40	5		KKBBHM
COc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1	ZINC000104059190	571372082	/nfs/dbraw/zinc/37/20/82/571372082.db2.gz	BSYIHBQFXRTASG-ULNSLHSMSA-N	-1	3	579.565	5.182	40	5		KKBBHM
O=C(NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000105305853	571393947	/nfs/dbraw/zinc/39/39/47/571393947.db2.gz	KBWCATXJWYYSGH-UHFFFAOYSA-N	-1	3	533.635	5.694	40	5		KKBBHM
Cc1cc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc(-c2nc3ccccc3s2)c1[O-]	ZINC000105310731	571396348	/nfs/dbraw/zinc/39/63/48/571396348.db2.gz	ZSRIVNFUXRHBLO-UHFFFAOYSA-N	-1	3	530.587	6.272	40	5		KKBBHM
Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3[O-])oc2c1	ZINC000105310870	571396354	/nfs/dbraw/zinc/39/63/54/571396354.db2.gz	IETBWSZMDQNQBK-UHFFFAOYSA-N	-1	3	531.594	5.534	40	5		KKBBHM
O=C([N-]c1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000105355646	571404285	/nfs/dbraw/zinc/40/42/85/571404285.db2.gz	CLRWEZZYALPDDM-UHFFFAOYSA-N	-1	3	534.833	8.299	40	5		KKBBHM
COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1	ZINC000150436889	571496366	/nfs/dbraw/zinc/49/63/66/571496366.db2.gz	AZARJFNQYOMLRF-KCHLEUMXSA-N	-1	3	644.434	5.636	40	5		KKBBHM
COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@H]3c1ccc(OC(=O)c3ccccc3)c(OC)c1)C[C@H](C(C)(C)C)CC2	ZINC000150437016	571496672	/nfs/dbraw/zinc/49/66/72/571496672.db2.gz	ZSYZZLHPWWHBHK-XPKQSADCSA-N	-1	3	739.803	6.873	40	5		KKBBHM
Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)nnc2-c2cc(Br)ccc2[O-])c(C)c1	ZINC000408544279	572215135	/nfs/dbraw/zinc/21/51/35/572215135.db2.gz	DSJHUWJVJXPLFM-UHFFFAOYSA-N	-1	3	572.416	5.797	40	5		KKBBHM
O=c1[n-]c(-c2cc(Br)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Br)c2)nc2sc3c(c21)CCCC3	ZINC000409263517	1070700042	/nfs/dbraw/zinc/70/00/42/1070700042.db2.gz	LKOOGWRHCICNJT-UHFFFAOYSA-N	-1	3	645.251	8.187	40	5		KKBBHM
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000408927607	1071195733	/nfs/dbraw/zinc/19/57/33/1071195733.db2.gz	YHPUYSCZXXOVSV-UHFFFAOYSA-N	-1	3	638.724	5.163	40	5		KKBBHM
O=c1[n-]c(-c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)nc2sc3c(c21)CCCC3	ZINC000409252624	1073187058	/nfs/dbraw/zinc/18/70/58/1073187058.db2.gz	CQQGEYGZHJAGRN-UHFFFAOYSA-N	-1	3	591.281	6.955	40	5		KKBBHM
COc1ccc(-c2nc([N-]C(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2-c2ccc(OC)cc2)cc1	ZINC000059464339	193899798	/nfs/dbraw/zinc/89/97/98/193899798.db2.gz	BCQLGINSNIOFQU-UHFFFAOYSA-N	-1	3	506.496	5.563	40	5		KKBBHM
CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccc(Cl)cc1)[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000001239845	551630563	/nfs/dbraw/zinc/63/05/63/551630563.db2.gz	NDDWDIUNRULTLD-BDTNDASRSA-N	-1	3	555.996	5.154	40	5		KKBBHM
CCOc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(CC)ccc4o3)c2)cc1[N+](=O)[O-]	ZINC000008835204	553161524	/nfs/dbraw/zinc/16/15/24/553161524.db2.gz	OWFRAMSRAFTIME-UHFFFAOYSA-N	-1	3	506.540	5.197	40	5		KKBBHM
CCCCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000009075838	553207462	/nfs/dbraw/zinc/20/74/62/553207462.db2.gz	WNUSWKUQRMNRRP-VJGNERBWSA-N	-1	3	515.566	5.605	40	5		KKBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1F)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(Cl)cc1Cl	ZINC000013778587	553490199	/nfs/dbraw/zinc/49/01/99/553490199.db2.gz	NSKVQDNPYBRCIR-ACRUOGEOSA-N	-1	3	502.285	5.092	40	5		KKBBHM
CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000013805862	553491796	/nfs/dbraw/zinc/49/17/96/553491796.db2.gz	FVWZUVLOVQAJFF-HJOGWXRNSA-N	-1	3	507.930	5.088	40	5		KKBBHM
O=C([N-]c1cc(-c2nc3ccccc3s2)ccc1Cl)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000059294267	554387751	/nfs/dbraw/zinc/38/77/51/554387751.db2.gz	BMSCZJIFRYHCBN-UHFFFAOYSA-N	-1	3	500.388	7.645	40	5		KKBBHM
O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cc(Br)cc(Br)c1I	ZINC000101055527	554569521	/nfs/dbraw/zinc/56/95/21/554569521.db2.gz	XRYCXTADOMCJGP-UHFFFAOYSA-N	-1	3	543.912	5.116	40	5		KKBBHM
O=C(Oc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1	ZINC000102555194	554963994	/nfs/dbraw/zinc/96/39/94/554963994.db2.gz	LEVZZQYMTBONFN-QKDODKLFSA-N	-1	3	569.957	5.519	40	5		KKBBHM
CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC)c(Br)c2)cc1	ZINC000102556685	554964858	/nfs/dbraw/zinc/96/48/58/554964858.db2.gz	PWBZMRUOQXZBRM-GVAUOCQISA-N	-1	3	582.407	5.206	40	5		KKBBHM
O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	ZINC000102744129	555035292	/nfs/dbraw/zinc/03/52/92/555035292.db2.gz	GUCSZVFFEVMVRB-DSITVLBTSA-N	-1	3	533.899	5.698	40	5		KKBBHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1	ZINC000102872832	555103433	/nfs/dbraw/zinc/10/34/33/555103433.db2.gz	ZOBFGCHQGWUOAD-PFBJBMPXSA-N	-1	3	606.012	5.067	40	5		KKBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1	ZINC000102872840	555103574	/nfs/dbraw/zinc/10/35/74/555103574.db2.gz	ZOBFGCHQGWUOAD-QKDODKLFSA-N	-1	3	606.012	5.067	40	5		KKBBHM
COc1cc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1	ZINC000102877559	555107034	/nfs/dbraw/zinc/10/70/34/555107034.db2.gz	SUUFERUYZMLAHJ-ULNSLHSMSA-N	-1	3	614.010	5.836	40	5		KKBBHM
CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1	ZINC000102889848	555124514	/nfs/dbraw/zinc/12/45/14/555124514.db2.gz	MGXMYFRTHHVETP-NGDRWEMDSA-N	-1	3	593.592	5.654	40	5		KKBBHM
Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3[O-])oc2c(C)c1	ZINC000105310964	571396544	/nfs/dbraw/zinc/39/65/44/571396544.db2.gz	PUZNMWHCAKMQKC-UHFFFAOYSA-N	-1	3	545.621	5.843	40	5		KKBBHM
Cc1ccc(-c2nc([N-]C(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000105576430	571407622	/nfs/dbraw/zinc/40/76/22/571407622.db2.gz	YHSHVZBUBPQOBW-UHFFFAOYSA-N	-1	3	519.495	6.071	40	5		KKBBHM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000206442423	571572631	/nfs/dbraw/zinc/57/26/31/571572631.db2.gz	TZLUHEMNFHXUGO-NLRVBDNBSA-N	-1	3	517.538	5.714	40	5		KKBBHM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000408562973	572248975	/nfs/dbraw/zinc/24/89/75/572248975.db2.gz	HEMGKTGGSZVPGJ-UHFFFAOYSA-N	-1	3	500.747	5.608	40	5		KKBBHM
Cc1ccccc1Oc1cc([N-]C(=O)c2nc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cc([N+](=O)[O-])c1	ZINC000003139664	552294430	/nfs/dbraw/zinc/29/44/30/552294430.db2.gz	WHLIWDQHTXRNEK-UHFFFAOYSA-N	-1	3	540.483	6.133	40	5		KKBBHM
CC(C)(C)C(=O)[C@H]1C(=C([O-])c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12	ZINC000009009577	553199489	/nfs/dbraw/zinc/19/94/89/553199489.db2.gz	JWJMOAGUGRHVMR-FVCFNFBRSA-N	-1	3	521.573	5.183	40	5		KKBBHM
CCCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1OCC	ZINC000097954451	553823204	/nfs/dbraw/zinc/82/32/04/553823204.db2.gz	JUHLQQJCOCXAQM-QKDODKLFSA-N	-1	3	531.565	5.224	40	5		KKBBHM
Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)c1	ZINC000097954463	553823579	/nfs/dbraw/zinc/82/35/79/553823579.db2.gz	KEIOUNZRSOINTR-IARZGTGTSA-N	-1	3	549.539	5.174	40	5		KKBBHM
CCOC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1C)[C@H]3c1ccc([N+](=O)[O-])cc1)CCCC2	ZINC000100799393	554474162	/nfs/dbraw/zinc/47/41/62/554474162.db2.gz	GAKOOUXIFVPRHC-DSITVLBTSA-N	-1	3	561.616	5.071	40	5		KKBBHM
CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC)c(Br)c2)cc1	ZINC000102556674	554964944	/nfs/dbraw/zinc/96/49/44/554964944.db2.gz	PWBZMRUOQXZBRM-DSITVLBTSA-N	-1	3	582.407	5.206	40	5		KKBBHM
CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1	ZINC000102859619	555090041	/nfs/dbraw/zinc/09/00/41/555090041.db2.gz	MTYNENLYGAFTQZ-CHQNGUEUSA-N	-1	3	623.618	5.663	40	5		KKBBHM
CCOc1cc(Br)c(Br)c(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1[O-]	ZINC000106740581	571417251	/nfs/dbraw/zinc/41/72/51/571417251.db2.gz	RJWGTEJGNHSXIG-CHHVJCJISA-N	-1	3	558.204	5.461	40	5		KKBBHM
CC(C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3[O-])nc2c1	ZINC000112243543	571435485	/nfs/dbraw/zinc/43/54/85/571435485.db2.gz	YXAIZIAYLQFQAJ-UHFFFAOYSA-N	-1	3	561.620	5.195	40	5		KKBBHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1	ZINC000150449910	571502188	/nfs/dbraw/zinc/50/21/88/571502188.db2.gz	WHUILLXMHGBPRO-QKDODKLFSA-N	-1	3	650.463	5.176	40	5		KKBBHM
CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)[C@H](c2cccc([N+](=O)[O-])c2)N3Cc2ccccc2)cc1	ZINC000408530621	572172409	/nfs/dbraw/zinc/17/24/09/572172409.db2.gz	PYQVSFRCONKDEB-PGUFJCEWSA-N	-1	3	648.741	7.469	40	5		KKBBHM
Cc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)nnc2-c2cc(Br)ccc2[O-])c(C)c1	ZINC000408541835	572209319	/nfs/dbraw/zinc/20/93/19/572209319.db2.gz	FCULUICHMHUGMQ-UHFFFAOYSA-N	-1	3	588.871	6.312	40	5		KKBBHM
Cc1ccc(-n2c(SCC(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)nnc2-c2ccccc2[O-])c(C)c1	ZINC000408545000	572217290	/nfs/dbraw/zinc/21/72/90/572217290.db2.gz	LGJUMPQOMNPZIS-UHFFFAOYSA-N	-1	3	544.420	6.203	40	5		KKBBHM
Cc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)nnc2-c2cc(Br)ccc2[O-])c(C)c1	ZINC000408545148	572217805	/nfs/dbraw/zinc/21/78/05/572217805.db2.gz	ZDXMMQZJLAHCOZ-UHFFFAOYSA-N	-1	3	568.453	5.967	40	5		KKBBHM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000408562545	572248896	/nfs/dbraw/zinc/24/88/96/572248896.db2.gz	AMIPMFNDBZHAMB-UHFFFAOYSA-N	-1	3	500.747	5.608	40	5		KKBBHM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000408564270	572250400	/nfs/dbraw/zinc/25/04/00/572250400.db2.gz	UQOUCZVXAVLPIX-UHFFFAOYSA-N	-1	3	500.747	5.608	40	5		KKBBHM