smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(CCC(=O)[O-])(c1ccc(O)c(CN2CCOCC2)c1)c1ccc(O)c(CN2CCOCC2)c1	ZINC000004721635	520149251	/nfs/dbraw/zinc/14/92/51/520149251.db2.gz	JWNUBAIGCVTLMJ-UHFFFAOYSA-N	-1	0	484.593	2.933	40	10		JFCBRM
CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](C(=O)[O-])C(C)C)C2=O)cc1OC	ZINC000008870163	520849727	/nfs/dbraw/zinc/84/97/27/520849727.db2.gz	PJBGXVMNROASAC-QIPHDZALSA-N	-1	0	466.581	2.911	40	10		JFCBRM
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1	ZINC000002355687	527047967	/nfs/dbraw/zinc/04/79/67/527047967.db2.gz	DIYRXGADUWZVFA-FMIVXFBMSA-N	-1	0	464.247	2.684	40	10		JFCBRM
CCC[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S)C(=O)[O-]	ZINC000008870124	554764568	/nfs/dbraw/zinc/76/45/68/554764568.db2.gz	XWYNTGQDEDGPGI-XDUBLRSXSA-N	-1	0	452.554	2.665	40	10		JFCBRM
CCC[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S)C(=O)[O-]	ZINC000008870125	554764595	/nfs/dbraw/zinc/76/45/95/554764595.db2.gz	XWYNTGQDEDGPGI-KWWJGWKXSA-N	-1	0	452.554	2.665	40	10		JFCBRM
NC(=O)Cn1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc21	ZINC000009260248	555034436	/nfs/dbraw/zinc/03/44/36/555034436.db2.gz	WUQLWJQEBASFFN-SXGWCWSVSA-N	-1	0	467.279	2.556	40	10		JFCBRM
COC(=O)Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(S(N)(=O)=O)cc1	ZINC000103920074	569839306	/nfs/dbraw/zinc/83/93/06/569839306.db2.gz	KAKJKOROKXEKFM-UNOMPAQXSA-N	-1	0	485.547	2.596	40	10		JFCBRM
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(I)c1OC(C)=O	ZINC000108202679	569859062	/nfs/dbraw/zinc/85/90/62/569859062.db2.gz	VVENRBRRIGQGCH-ZSOIEALJSA-N	-1	0	478.242	2.687	40	10		JFCBRM
COc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1OS(=O)(=O)c1ccccc1	ZINC000113833299	569862067	/nfs/dbraw/zinc/86/20/67/569862067.db2.gz	YZEMCPKPFUIKSZ-MHWRWJLKSA-N	-1	0	465.530	2.749	40	10		JFCBRM
O=C(Nc1nnc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)cc2)s1)c1ccccc1Cl	ZINC000224925271	569963579	/nfs/dbraw/zinc/96/35/79/569963579.db2.gz	BGJQVYNVHOCBBW-UHFFFAOYSA-N	-1	0	493.998	2.759	40	10		JFCBRM
CCOC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC	ZINC000408781296	570041715	/nfs/dbraw/zinc/04/17/15/570041715.db2.gz	BZOZARWNXQJBGT-MHWRWJLKSA-N	-1	0	458.854	2.957	40	10		JFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	ZINC000408797181	570044607	/nfs/dbraw/zinc/04/46/07/570044607.db2.gz	BPGBRLSDGXJDMV-UHFFFAOYSA-N	-1	0	476.239	2.694	40	10		JFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(I)c1OCc1ccc(C)cc1	ZINC000408805299	570047227	/nfs/dbraw/zinc/04/72/27/570047227.db2.gz	FYOYBNSSVWCGFU-UHFFFAOYSA-N	-1	0	492.269	2.937	40	10		JFCBRM
CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)OC)c(OC)c3)C2=O)c1	ZINC000408848682	570055109	/nfs/dbraw/zinc/05/51/09/570055109.db2.gz	SICKNEIWXNGIHW-GZTJUZNOSA-N	-1	0	498.488	2.711	40	10		JFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(I)c1Cc1cccc(F)c1	ZINC000408882600	570063335	/nfs/dbraw/zinc/06/33/35/570063335.db2.gz	ROOVRLCCNSAVFG-UHFFFAOYSA-N	-1	0	480.233	2.779	40	10		JFCBRM
NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1	ZINC000408904977	570070399	/nfs/dbraw/zinc/07/03/99/570070399.db2.gz	RJEHOABTLADYJF-XYOKQWHBSA-N	-1	0	450.303	2.689	40	10		JFCBRM
COC(=O)COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl	ZINC000408948849	570083731	/nfs/dbraw/zinc/08/37/31/570083731.db2.gz	HCPNQKDEGFDAHB-UUILKARUSA-N	-1	0	493.255	2.940	40	10		JFCBRM
Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCOCC3)o2)C1=O	ZINC000409015510	570101061	/nfs/dbraw/zinc/10/10/61/570101061.db2.gz	SIVLEPBSOQXGHM-RVDMUPIBSA-N	-1	0	460.284	2.854	40	10		JFCBRM
O=C(Cn1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c2ccccc21)NC[C@H]1CCCO1	ZINC000409146487	570147167	/nfs/dbraw/zinc/14/71/67/570147167.db2.gz	SDLYEDIWDOIXIB-CCULFSDZSA-N	-1	0	486.528	2.599	40	10		JFCBRM
O=C(Cn1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c2ccccc21)NC1CCCC1	ZINC000409149953	570148788	/nfs/dbraw/zinc/14/87/88/570148788.db2.gz	WLRXBQUGNYFCAV-UDWIEESQSA-N	-1	0	460.490	2.955	40	10		JFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(N)=O	ZINC000409219642	570173952	/nfs/dbraw/zinc/17/39/52/570173952.db2.gz	SRBLRXUVPHTTTC-NTEUORMPSA-N	-1	0	457.870	2.578	40	10		JFCBRM
NC(=O)COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000409222169	570174830	/nfs/dbraw/zinc/17/48/30/570174830.db2.gz	AMKQMHMTZYPXQK-RIYZIHGNSA-N	-1	0	478.686	2.633	40	10		JFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(N)=O	ZINC000409222650	570175011	/nfs/dbraw/zinc/17/50/11/570175011.db2.gz	CXCJJPWRDVEGSJ-VGOFMYFVSA-N	-1	0	478.288	2.923	40	10		JFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(N)=O)C2=O)cc1Cl	ZINC000409223477	570175286	/nfs/dbraw/zinc/17/52/86/570175286.db2.gz	HYGPMXNMFFSVBZ-VGOFMYFVSA-N	-1	0	492.713	2.941	40	10		JFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c(Br)c(Br)c1O	ZINC000409230759	570177675	/nfs/dbraw/zinc/17/76/75/570177675.db2.gz	GEOJPVDJLPLXSC-BJMVGYQFSA-N	-1	0	497.099	2.987	40	10		JFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CCCCC3)C2=O)cc1	ZINC000408529440	570187236	/nfs/dbraw/zinc/18/72/36/570187236.db2.gz	JPOVUEDRDCHNOH-SSZFMOIBSA-N	-1	0	476.493	2.846	40	10		JFCBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cc3c(cc2Br)n(C)c(=O)n3C)C1=O	ZINC000408529739	570187313	/nfs/dbraw/zinc/18/73/13/570187313.db2.gz	HUWKWSVWNBWWBZ-ZRDIBKRKSA-N	-1	0	484.310	2.527	40	10		JFCBRM
Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=CNc3cc4c(cc3Br)n(C)c(=O)n4C)C2=O)c1	ZINC000408530062	570187497	/nfs/dbraw/zinc/18/74/97/570187497.db2.gz	KYPSVVPQZBVFHA-JLHYYAGUSA-N	-1	0	498.337	2.835	40	10		JFCBRM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cc3[nH]c(=O)[nH]c3cc2Br)C1=O	ZINC000408530499	570187732	/nfs/dbraw/zinc/18/77/32/570187732.db2.gz	IZLPLLQZHXHYHG-CMDGGOBGSA-N	-1	0	472.255	2.618	40	10		JFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc4c(cc3N3CCCCC3)n(C)c(=O)n4C)C2=O)cc1	ZINC000408532855	570188587	/nfs/dbraw/zinc/18/85/87/570188587.db2.gz	RICLYUGMJHCZQE-SDXDJHTJSA-N	-1	0	488.548	2.755	40	10		JFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000408554095	570196112	/nfs/dbraw/zinc/19/61/12/570196112.db2.gz	ZBDXCZBUEQNOAR-UHFFFAOYSA-N	-1	0	464.261	2.769	40	10		JFCBRM
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](CCSC)C(=O)[O-])C2=O)cc1	ZINC000008870110	523413593	/nfs/dbraw/zinc/41/35/93/523413593.db2.gz	SUHHEHOPPHRPDP-XDPMZMSMSA-N	-1	0	454.595	2.609	40	10		JFCBRM
Cc1cc(N2C(=O)[N-]C(=O)C(=CNc3ccc4[nH]c(=O)[nH]c4c3)C2=O)ccc1Br	ZINC000016282182	525048884	/nfs/dbraw/zinc/04/88/84/525048884.db2.gz	ZLTSTHYLGFJTSH-WQLSENKSSA-N	-1	0	456.256	2.506	40	10		JFCBRM
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](C(=O)[O-])C(C)C)C2=O)cc1OC	ZINC000008870134	554764687	/nfs/dbraw/zinc/76/46/87/554764687.db2.gz	QBXBOXKCQRXBGG-OBHPCNEJSA-N	-1	0	452.554	2.521	40	10		JFCBRM
COC(=O)[C@@H](C)Oc1c(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000033658632	569630006	/nfs/dbraw/zinc/63/00/06/569630006.db2.gz	DNXDVICNEGPEMU-ZEVOCZHWSA-N	-1	0	490.266	2.759	40	10		JFCBRM
CCOC(=O)COc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-]	ZINC000108036793	569858344	/nfs/dbraw/zinc/85/83/44/569858344.db2.gz	LFKAKKCDHFWOEH-DHDCSXOGSA-N	-1	0	490.266	2.761	40	10		JFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(I)c1OC	ZINC000408692206	570015273	/nfs/dbraw/zinc/01/52/73/570015273.db2.gz	HAOFEIKYEXZUEH-KPKJPENVSA-N	-1	0	470.263	2.713	40	10		JFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(I)c1Cc1ccccc1F	ZINC000408879807	570062500	/nfs/dbraw/zinc/06/25/00/570062500.db2.gz	GVCRQLAXQPLVDK-UHFFFAOYSA-N	-1	0	480.233	2.779	40	10		JFCBRM
COc1cc(OC)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br	ZINC000408955449	570084850	/nfs/dbraw/zinc/08/48/50/570084850.db2.gz	UMJCBPBBNDRGNE-LFYBBSHMSA-N	-1	0	475.251	2.861	40	10		JFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(I)c3)C2=O)c(OC)c1	ZINC000408964354	570086992	/nfs/dbraw/zinc/08/69/92/570086992.db2.gz	QYPBFSUPPOUANB-KPKJPENVSA-N	-1	0	494.241	2.680	40	10		JFCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	ZINC000408968239	570088224	/nfs/dbraw/zinc/08/82/24/570088224.db2.gz	XNAVUPCQRHDMBZ-DEDYPNTBSA-N	-1	0	478.530	2.716	40	10		JFCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)o3)C2=O)c(OCC)c1	ZINC000409010687	570099458	/nfs/dbraw/zinc/09/94/58/570099458.db2.gz	DBDKOWLXSCALQF-GHRIWEEISA-N	-1	0	455.467	2.580	40	10		JFCBRM
O=C1[N-]C(=O)C(=Cc2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)C(=O)N1	ZINC000409069889	570117832	/nfs/dbraw/zinc/11/78/32/570117832.db2.gz	YHNYDSVBZPDHHY-UHFFFAOYSA-N	-1	0	485.699	2.620	40	10		JFCBRM
COc1ccc(N2C(=O)/C(=C/c3c(OC)cc(OC)cc3OC)C(=O)[N-]C2=S)c(OC)c1	ZINC000409103673	570129359	/nfs/dbraw/zinc/12/93/59/570129359.db2.gz	DXZYYONYIZLYMM-RVDMUPIBSA-N	-1	0	458.492	2.561	40	10		JFCBRM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	ZINC000409221768	570174769	/nfs/dbraw/zinc/17/47/69/570174769.db2.gz	ATTFXGCRFOVCHC-UHFFFAOYSA-N	-1	0	457.870	2.814	40	10		JFCBRM
CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3OC)C(=O)[N-]C2=S)cc1	ZINC000409224581	570175585	/nfs/dbraw/zinc/17/55/85/570175585.db2.gz	IIPWLOAICMDPKH-XSFVSMFZSA-N	-1	0	451.548	2.926	40	10		JFCBRM
CN(C)c1cc2c(cc1NC=C1C(=O)[N-]C(=O)N(c3cccc4ccccc43)C1=O)n(C)c(=O)n2C	ZINC000408526739	570186097	/nfs/dbraw/zinc/18/60/97/570186097.db2.gz	CHCKOIGDVFPLND-SAPNQHFASA-N	-1	0	484.516	2.675	40	10		JFCBRM
CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(NC=C3C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc21	ZINC000408529244	570187103	/nfs/dbraw/zinc/18/71/03/570187103.db2.gz	HHJDGGDRFOFCAY-KAMYIIQDSA-N	-1	0	498.883	2.983	40	10		JFCBRM
Cc1ccccc1NC(=O)COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Br	ZINC000409260439	570187539	/nfs/dbraw/zinc/18/75/39/570187539.db2.gz	QHVHBYKHBBXRMO-UHFFFAOYSA-N	-1	0	458.268	2.524	40	10		JFCBRM
CC(=O)Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(I)cc2)C1=O	ZINC000408532677	570188601	/nfs/dbraw/zinc/18/86/01/570188601.db2.gz	ITILHVCVPNBGEY-GDNBJRDFSA-N	-1	0	476.226	2.883	40	10		JFCBRM
COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(N4CCOCC4)o3)C(=O)[N-]C2=S)cc1	ZINC000006645209	554557452	/nfs/dbraw/zinc/55/74/52/554557452.db2.gz	BQPVUZGGZSKKTM-GDNBJRDFSA-N	-1	0	492.351	2.719	40	10		JFCBRM
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](CCSC)C(=O)[O-])C2=O)cc1OC	ZINC000008870138	554764701	/nfs/dbraw/zinc/76/47/01/554764701.db2.gz	PWHGMIIPLRGSKV-XDUBLRSXSA-N	-1	0	484.621	2.618	40	10		JFCBRM
CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](C(=O)[O-])C(C)C)C2=O)cc1OC	ZINC000008870162	554764727	/nfs/dbraw/zinc/76/47/27/554764727.db2.gz	PJBGXVMNROASAC-FYXHJSOBSA-N	-1	0	466.581	2.911	40	10		JFCBRM
COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(OCC(=O)[O-])c(OC)c4)S3)CC2)cc1	ZINC000009188201	554960466	/nfs/dbraw/zinc/96/04/66/554960466.db2.gz	KGPNJJSVXUJGAG-STZFKDTASA-N	-1	0	483.546	2.960	40	10		JFCBRM
COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCC(=O)[O-])c(OC)c3)SC2=S)cc1	ZINC000016915147	556179707	/nfs/dbraw/zinc/17/97/07/556179707.db2.gz	DQBAXNGLWGBIED-LICLKQGHSA-N	-1	0	474.516	2.713	40	10		JFCBRM
COc1ccc(N2C(=O)/C(=C/c3ccc(I)o3)C(=O)[N-]C2=S)c(OC)c1	ZINC000059595793	569607099	/nfs/dbraw/zinc/60/70/99/569607099.db2.gz	IZDHEKBBMKFBJD-YRNVUSSQSA-N	-1	0	484.271	2.733	40	10		JFCBRM
CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1OC	ZINC000408692664	570015681	/nfs/dbraw/zinc/01/56/81/570015681.db2.gz	RUULAYNWGJIUMG-RIYZIHGNSA-N	-1	0	495.326	2.804	40	10		JFCBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000408900030	570068199	/nfs/dbraw/zinc/06/81/99/570068199.db2.gz	RBBAPQCWUCITTL-ATVHPVEESA-N	-1	0	456.842	2.751	40	10		JFCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	ZINC000408963844	570086915	/nfs/dbraw/zinc/08/69/15/570086915.db2.gz	ALZSQTGZRBECHF-LDADJPATSA-N	-1	0	498.561	2.712	40	10		JFCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	ZINC000408967175	570087866	/nfs/dbraw/zinc/08/78/66/570087866.db2.gz	QGHTVTXTDAVIDM-LDADJPATSA-N	-1	0	482.493	2.547	40	10		JFCBRM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)OC	ZINC000408981394	570090991	/nfs/dbraw/zinc/09/09/91/570090991.db2.gz	AVHBKTLPCYDXAM-PDGQHHTCSA-N	-1	0	452.463	2.866	40	10		JFCBRM
COC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC	ZINC000408984511	570091902	/nfs/dbraw/zinc/09/19/02/570091902.db2.gz	RPHIQPNZIURTJA-NVNXTCNLSA-N	-1	0	458.854	2.875	40	10		JFCBRM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	ZINC000409049521	570109455	/nfs/dbraw/zinc/10/94/55/570109455.db2.gz	WBISSPFXRXDWJH-UHFFFAOYSA-N	-1	0	457.870	2.814	40	10		JFCBRM
COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc3c(c2)OCO3)C1=O	ZINC000409095494	570126584	/nfs/dbraw/zinc/12/65/84/570126584.db2.gz	HYPFLCWSRGULPJ-CXUHLZMHSA-N	-1	0	465.462	2.699	40	10		JFCBRM
COCCCNC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c2ccccc21	ZINC000409145611	570146753	/nfs/dbraw/zinc/14/67/53/570146753.db2.gz	OPJPYZGGLOLQLV-XSFVSMFZSA-N	-1	0	466.538	2.589	40	10		JFCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1NC(=O)c1ccccc1	ZINC000409200862	570165285	/nfs/dbraw/zinc/16/52/85/570165285.db2.gz	JUJMXTZJDGOWCC-YBFXNURJSA-N	-1	0	472.457	2.884	40	10		JFCBRM
NC(=O)COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000409220021	570174079	/nfs/dbraw/zinc/17/40/79/570174079.db2.gz	XNSNWFQOSJYNPI-RIYZIHGNSA-N	-1	0	478.686	2.633	40	10		JFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(N)=O	ZINC000409227999	570176446	/nfs/dbraw/zinc/17/64/46/570176446.db2.gz	YYOGXCMYMRSRQH-WLRTZDKTSA-N	-1	0	478.288	2.841	40	10		JFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(N)=O	ZINC000409228100	570176509	/nfs/dbraw/zinc/17/65/09/570176509.db2.gz	ZYHHFYSMAPHDNA-AWNIVKPZSA-N	-1	0	464.261	2.533	40	10		JFCBRM
COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C)cc2C)C1=O	ZINC000409243930	570183201	/nfs/dbraw/zinc/18/32/01/570183201.db2.gz	ZCZGDWLZFAOSJK-CPNJWEJPSA-N	-1	0	451.548	2.980	40	10		JFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3Br)C2=O)cc1	ZINC000408526313	570185973	/nfs/dbraw/zinc/18/59/73/570185973.db2.gz	BRNOVVUMXNQWKJ-FLIBITNWSA-N	-1	0	472.255	2.618	40	10		JFCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNN3C(=O)c4ccc5c6c(ccc(c64)C3=O)CC5)C2=O)cc1	ZINC000408527111	570186244	/nfs/dbraw/zinc/18/62/44/570186244.db2.gz	FACCWSLSFZHVEM-DEDYPNTBSA-N	-1	0	496.479	2.605	40	10		JFCBRM
Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3[N+](=O)[O-])C2=O)c(C)c1	ZINC000408527258	570186336	/nfs/dbraw/zinc/18/63/36/570186336.db2.gz	FOTKEFBXUVSZLT-XYOKQWHBSA-N	-1	0	450.411	2.681	40	10		JFCBRM
CCN(CC)S(=O)(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)c(C)c1	ZINC000408528098	570186720	/nfs/dbraw/zinc/18/67/20/570186720.db2.gz	FEHJBPZIVWKWGB-SAPNQHFASA-N	-1	0	486.550	2.613	40	10		JFCBRM
Cc1cc(N2C(=O)[N-]C(=O)C(=CNc3ccc4c(c3)n(C)c(=O)n4C)C2=O)c(C)cc1Br	ZINC000408529901	570187353	/nfs/dbraw/zinc/18/73/53/570187353.db2.gz	KLGCXLJFVILOJF-GXDHUFHOSA-N	-1	0	498.337	2.835	40	10		JFCBRM
Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2Br)cc1C	ZINC000409259926	570187354	/nfs/dbraw/zinc/18/73/54/570187354.db2.gz	HWBXDJMDWYKIKB-UHFFFAOYSA-N	-1	0	472.295	2.833	40	10		JFCBRM
CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1NC=C1C(=O)[N-]C(=O)N(CCc2ccccc2)C1=O	ZINC000408535088	570189752	/nfs/dbraw/zinc/18/97/52/570189752.db2.gz	XNMZBTYIWYZGFJ-JQIJEIRASA-N	-1	0	462.510	2.732	40	10		JFCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNc3nnc(-c4ccc(OC)cc4)s3)C2=O)cc1	ZINC000408535661	570189983	/nfs/dbraw/zinc/18/99/83/570189983.db2.gz	UDZZMPFWLMNLHW-SFQUDFHCSA-N	-1	0	465.491	3.191	40	10		JFCBRM
CCN(CC)S(=O)(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1	ZINC000408536517	570190416	/nfs/dbraw/zinc/19/04/16/570190416.db2.gz	WRCJSKQTUHNTSC-DTQAZKPQSA-N	-1	0	476.942	2.949	40	10		JFCBRM
C=CS(=O)(=O)c1ccc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)cc1	ZINC000005389845	519293347	/nfs/dbraw/zinc/29/33/47/519293347.db2.gz	NHVANJGFAFQZEE-UHFFFAOYSA-N	-1	0	484.511	2.952	40	10		JFCBRM
CCS(=O)(=O)C1=NN2C(=NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=N)S1	ZINC000041083883	521631083	/nfs/dbraw/zinc/63/10/83/521631083.db2.gz	HVYUCVIPLFKSHI-HJDDMPKESA-N	-1	0	458.477	2.656	40	10		JFCBRM
COc1cc(/C=C2\C(=O)[N-]N(c3ccc(I)cc3)C2=O)ccc1OC(C)=O	ZINC000000726006	553774036	/nfs/dbraw/zinc/77/40/36/553774036.db2.gz	JGVZVWDBTUHNED-OQLLNIDSSA-N	-1	0	478.242	2.687	40	10		JFCBRM
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](CC(C)C)C(=O)[O-])C2=O)cc1OC	ZINC000008870129	554764597	/nfs/dbraw/zinc/76/45/97/554764597.db2.gz	MUPFVILOMZWHCF-SWEABUAFSA-N	-1	0	466.581	2.911	40	10		JFCBRM
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](C(=O)[O-])C(C)C)C2=O)cc1OC	ZINC000008870135	554764714	/nfs/dbraw/zinc/76/47/14/554764714.db2.gz	QBXBOXKCQRXBGG-IUYQLWOBSA-N	-1	0	452.554	2.521	40	10		JFCBRM
O=C(c1ccccc1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	ZINC000013582176	555520235	/nfs/dbraw/zinc/52/02/35/555520235.db2.gz	PFAOMWPETRJAOF-UHFFFAOYSA-N	-1	0	455.879	2.902	40	10		JFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3I)C2=O)c(OC)c1	ZINC000108194465	569858994	/nfs/dbraw/zinc/85/89/94/569858994.db2.gz	QJYZIEMRGPGBDB-UKTHLTGXSA-N	-1	0	478.242	2.975	40	10		JFCBRM
COc1cc(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1O	ZINC000408784396	570042561	/nfs/dbraw/zinc/04/25/61/570042561.db2.gz	SESDHWJCWKYSEQ-RIYZIHGNSA-N	-1	0	478.242	2.980	40	10		JFCBRM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OC)C2=O)cc1	ZINC000408802508	570046166	/nfs/dbraw/zinc/04/61/66/570046166.db2.gz	FRHAOGLXEUMPMM-XNTDXEJSSA-N	-1	0	459.252	2.911	40	10		JFCBRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	ZINC000408831605	570052816	/nfs/dbraw/zinc/05/28/16/570052816.db2.gz	WFHMAYGETQRFDO-PZHBDVNGSA-N	-1	0	491.569	2.563	40	10		JFCBRM
COc1cc(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1	ZINC000408867970	570058562	/nfs/dbraw/zinc/05/85/62/570058562.db2.gz	MRCGMMUZHYRIBH-VIZOYTHASA-N	-1	0	493.213	2.874	40	10		JFCBRM
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(C=C3C(=O)[N-]C(=O)NC3=O)cc2Cl)cc1	ZINC000408891962	570065922	/nfs/dbraw/zinc/06/59/22/570065922.db2.gz	WKLOIIXWRBSRMD-UHFFFAOYSA-N	-1	0	455.275	2.819	40	10		JFCBRM
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(O)c(I)c1	ZINC000408904585	570070368	/nfs/dbraw/zinc/07/03/68/570070368.db2.gz	LUUTVAPOHJWQJZ-JXMROGBWSA-N	-1	0	452.179	2.802	40	10		JFCBRM
O=C([O-])CN1C(=O)/C(=C\c2cc(Br)c(I)o2)SC1=S	ZINC000408949712	570083837	/nfs/dbraw/zinc/08/38/37/570083837.db2.gz	BVTDWCLQHWMPEU-QHHAFSJGSA-N	-1	0	474.095	2.933	40	10		JFCBRM
O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1	ZINC000409101655	570128672	/nfs/dbraw/zinc/12/86/72/570128672.db2.gz	QEOKKCOGFQCRLT-LDADJPATSA-N	-1	0	456.296	2.952	40	10		JFCBRM
O=C(Cn1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c2ccccc21)NC[C@@H]1CCCO1	ZINC000409146482	570147137	/nfs/dbraw/zinc/14/71/37/570147137.db2.gz	SDLYEDIWDOIXIB-BOURKTIISA-N	-1	0	486.528	2.599	40	10		JFCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)n1C[C@H]1CCCO1	ZINC000409197565	570164028	/nfs/dbraw/zinc/16/40/28/570164028.db2.gz	IUAYKTUUTVSKPQ-HRYJJRBTSA-N	-1	0	451.479	2.675	40	10		JFCBRM
O=C(COc1ccc(Br)cc1C=C1C(=O)[N-]C(=O)NC1=O)Nc1ccc(Cl)cc1	ZINC000409217910	570173323	/nfs/dbraw/zinc/17/33/23/570173323.db2.gz	FRXQFAOSLOKIAJ-UHFFFAOYSA-N	-1	0	478.686	2.869	40	10		JFCBRM
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCC(N)=O)C1=O	ZINC000409218150	570173482	/nfs/dbraw/zinc/17/34/82/570173482.db2.gz	DAUPGVHSLGJRPY-MDWZMJQESA-N	-1	0	492.713	2.941	40	10		JFCBRM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)cc3OC)C2=O)c1	ZINC000409235175	570179353	/nfs/dbraw/zinc/17/93/53/570179353.db2.gz	APTCQPRHZDMAFC-DEDYPNTBSA-N	-1	0	451.479	2.597	40	10		JFCBRM
CCc1nnc(NC(=O)c2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccccc4CC)C3=O)cc2)s1	ZINC000408531008	570187768	/nfs/dbraw/zinc/18/77/68/570187768.db2.gz	KALJDQXTKXSCLC-GHRIWEEISA-N	-1	0	490.545	3.494	40	10		JFCBRM
CCN(CC)c1cc2c(cc1NC=C1C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C1=O)n(C)c(=O)n2C	ZINC000408531916	570188253	/nfs/dbraw/zinc/18/82/53/570188253.db2.gz	PDBZHGIYELULOF-SSZFMOIBSA-N	-1	0	496.955	2.955	40	10		JFCBRM
Cc1c(C)c(N2C(=O)[N-]C(=O)C(=CNc3ccc4c(c3)n(C)c(=O)n4C)C2=O)ccc1Br	ZINC000408536341	570190418	/nfs/dbraw/zinc/19/04/18/570190418.db2.gz	WEINGJHVXMMFHX-GXDHUFHOSA-N	-1	0	498.337	2.835	40	10		JFCBRM
CN(C)S(=O)(=O)c1ccc(Nc2ccc(O)c3c2C(=O)c2c([N+](=O)[O-])ccc([O-])c2C3=O)cc1	ZINC000033363604	521988760	/nfs/dbraw/zinc/98/87/60/521988760.db2.gz	BBBZZDRRJUPEIV-UHFFFAOYSA-N	-1	0	483.458	2.775	40	10	in-vitro	JFCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	ZINC000009311487	555088142	/nfs/dbraw/zinc/08/81/42/555088142.db2.gz	ROCXFLMMYOQHKG-BKUYFWCQSA-N	-1	0	478.530	2.716	40	10		JFCBRM
COc1ccccc1N1C(=O)/C(=C\c2ccc(O)c(I)c2)C(=O)[N-]C1=S	ZINC000009323535	555096803	/nfs/dbraw/zinc/09/68/03/555096803.db2.gz	KFECWJSLGKEMSV-FLIBITNWSA-N	-1	0	480.283	2.837	40	10		JFCBRM
COc1cc(/C=C2/C(=O)[N-]N(c3ccc(I)cc3)C2=O)ccc1OC(C)=O	ZINC000013562088	555496208	/nfs/dbraw/zinc/49/62/08/555496208.db2.gz	JGVZVWDBTUHNED-DHDCSXOGSA-N	-1	0	478.242	2.687	40	10		JFCBRM
COc1ccc(N2CCN(C(=O)CSc3nnc4c5ccccc5n(CC(=O)[O-])c4n3)CC2)cc1	ZINC000013086564	556286479	/nfs/dbraw/zinc/28/64/79/556286479.db2.gz	SOZKTEHOPJYPPM-UHFFFAOYSA-N	-1	0	492.561	2.514	40	10		JFCBRM
COc1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)ccc1OCC(=O)N1CCCCC1	ZINC000028048161	556313517	/nfs/dbraw/zinc/31/35/17/556313517.db2.gz	BGDWOFBADRXQIK-SFQUDFHCSA-N	-1	0	464.565	2.762	40	10		JFCBRM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	ZINC000059536325	569606629	/nfs/dbraw/zinc/60/66/29/569606629.db2.gz	DEFDALGSBSZYSQ-UHFFFAOYSA-N	-1	0	464.883	2.564	40	10		JFCBRM
COC(=O)[C@@H](C)Oc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)cc1OC	ZINC000033562090	569627902	/nfs/dbraw/zinc/62/79/02/569627902.db2.gz	CNJCHORFISOBKJ-YUSFRKCESA-N	-1	0	475.295	2.859	40	10		JFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccccc1	ZINC000107632394	569856801	/nfs/dbraw/zinc/85/68/01/569856801.db2.gz	UGAYBODKIJZBHT-XDHOZWIPSA-N	-1	0	475.457	2.968	40	10		JFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCC(=O)OC	ZINC000408692078	570015316	/nfs/dbraw/zinc/01/53/16/570015316.db2.gz	CWYUJYMUMZSMEN-RIYZIHGNSA-N	-1	0	450.875	2.695	40	10		JFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(I)c3)C2=O)cc1	ZINC000408740238	570031753	/nfs/dbraw/zinc/03/17/53/570031753.db2.gz	JOCRPGWBELSNHL-NTEUORMPSA-N	-1	0	478.242	2.975	40	10		JFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OC	ZINC000408811079	570049173	/nfs/dbraw/zinc/04/91/73/570049173.db2.gz	KAJVPFSNZRCRRT-NTUHNPAUSA-N	-1	0	494.241	2.680	40	10		JFCBRM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)c1	ZINC000408901576	570068741	/nfs/dbraw/zinc/06/87/41/570068741.db2.gz	YXNKGJGKVQBHER-LDADJPATSA-N	-1	0	450.451	2.715	40	10		JFCBRM
CN1C(=O)/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(Br)c2)C(=O)NC1=S	ZINC000408913988	570074236	/nfs/dbraw/zinc/07/42/36/570074236.db2.gz	WTAFCHLUOATFTQ-RIYZIHGNSA-N	-1	0	475.320	2.983	40	10		JFCBRM
CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)OC	ZINC000408917323	570075797	/nfs/dbraw/zinc/07/57/97/570075797.db2.gz	RCVWGKXGXJHOHK-YBEGLDIGSA-N	-1	0	458.467	2.608	40	10		JFCBRM
COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(I)c3)C(=O)[N-]C2=S)cc1	ZINC000408964932	570087081	/nfs/dbraw/zinc/08/70/81/570087081.db2.gz	UDEPHUBCHXBPMG-MDWZMJQESA-N	-1	0	480.283	2.837	40	10		JFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)cc(I)c1O	ZINC000409017586	570101832	/nfs/dbraw/zinc/10/18/32/570101832.db2.gz	FRKGFCXCQOCNMD-LFYBBSHMSA-N	-1	0	498.273	2.976	40	10		JFCBRM
Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2Br)c1	ZINC000409045662	570108616	/nfs/dbraw/zinc/10/86/16/570108616.db2.gz	GVDGPWSKZJSFOO-UHFFFAOYSA-N	-1	0	458.268	2.524	40	10		JFCBRM
CCOc1cc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1OCC(N)=O	ZINC000409199681	570164808	/nfs/dbraw/zinc/16/48/08/570164808.db2.gz	CPRYEULHUJQCIO-DHDCSXOGSA-N	-1	0	463.562	2.557	40	10		JFCBRM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OC)cc3Br)C2=O)cc1	ZINC000409210503	570169482	/nfs/dbraw/zinc/16/94/82/570169482.db2.gz	JFQDKEFDKQDXMO-RIYZIHGNSA-N	-1	0	489.278	2.919	40	10		JFCBRM
COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)[N-]C(=S)N(c2cc(C)cc(C)c2)C1=O	ZINC000409221296	570174563	/nfs/dbraw/zinc/17/45/63/570174563.db2.gz	ODSJERINISTVRK-DEDYPNTBSA-N	-1	0	451.548	2.980	40	10		JFCBRM
CCOc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3OC)C(=O)[N-]C2=S)c1	ZINC000409241727	570182200	/nfs/dbraw/zinc/18/22/00/570182200.db2.gz	UGIUBKSPYWODDA-DEDYPNTBSA-N	-1	0	467.547	2.762	40	10		JFCBRM
COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Br)c2)C1=O	ZINC000409242608	570182625	/nfs/dbraw/zinc/18/26/25/570182625.db2.gz	WYKVORRBGGMGQY-WOJGMQOQSA-N	-1	0	486.322	2.961	40	10		JFCBRM
COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000409251943	570186071	/nfs/dbraw/zinc/18/60/71/570186071.db2.gz	RHEVUZPZVLBKOS-LDADJPATSA-N	-1	0	486.322	2.961	40	10		JFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	ZINC000409258589	570187289	/nfs/dbraw/zinc/18/72/89/570187289.db2.gz	YEBUGNZBNRXLGJ-UHFFFAOYSA-N	-1	0	457.870	2.732	40	10		JFCBRM
Cn1c2cc(NC=C3C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)c(N3CCCC3)cc2n(C)c1=O	ZINC000408530864	570187853	/nfs/dbraw/zinc/18/78/53/570187853.db2.gz	MXDJLGLKSIDDHZ-SSZFMOIBSA-N	-1	0	494.939	2.709	40	10		JFCBRM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C	ZINC000409272684	570189422	/nfs/dbraw/zinc/18/94/22/570189422.db2.gz	RPDFTUGZINRBGN-UHFFFAOYSA-N	-1	0	457.870	2.814	40	10		JFCBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cc3[nH]c(=O)[nH]c3cc2Br)C1=O	ZINC000408534832	570189643	/nfs/dbraw/zinc/18/96/43/570189643.db2.gz	RLAAIMJITSSCPB-CSKARUKUSA-N	-1	0	456.256	2.918	40	10		JFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	ZINC000408542332	570191876	/nfs/dbraw/zinc/19/18/76/570191876.db2.gz	KTMHWGOXLUZTIZ-UHFFFAOYSA-N	-1	0	463.490	2.650	40	10		JFCBRM
CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](CC)C(=O)[O-])C2=O)cc1OC	ZINC000008870150	554764729	/nfs/dbraw/zinc/76/47/29/554764729.db2.gz	SYULEQZWTKPYSQ-XDUBLRSXSA-N	-1	0	452.554	2.665	40	10		JFCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)C2=O)c1C	ZINC000013388169	555393754	/nfs/dbraw/zinc/39/37/54/555393754.db2.gz	WHKSEQREHPGPDG-PDGQHHTCSA-N	-1	0	465.487	2.877	40	10		JFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)N(c3cccnc3)C2=O)cc(I)c1O	ZINC000016195046	556128996	/nfs/dbraw/zinc/12/89/96/556128996.db2.gz	XXUFZRPLKQTTPE-VZUCSPMQSA-N	-1	0	465.203	2.907	40	10		JFCBRM
COC(=O)[C@H](C)Oc1c(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC	ZINC000033793865	569635353	/nfs/dbraw/zinc/63/53/53/569635353.db2.gz	NRZYJQJYTCPMTE-ZENNRRHLSA-N	-1	0	475.295	2.859	40	10		JFCBRM
COC(=O)Cc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1cc(C(=O)OC)ccc1C(=O)OC	ZINC000103920255	569839222	/nfs/dbraw/zinc/83/92/22/569839222.db2.gz	XPTIXSBGSHAOQJ-HMAPJEAMSA-N	-1	0	495.488	2.920	40	10		JFCBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000111506846	569860976	/nfs/dbraw/zinc/86/09/76/569860976.db2.gz	RJWQJAIYCVYHMR-LFIBNONCSA-N	-1	0	456.842	2.751	40	10		JFCBRM
Cc1cc(/C=C2\NC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccc(I)cc1	ZINC000408598280	569968007	/nfs/dbraw/zinc/96/80/07/569968007.db2.gz	YRUGERWXAWSKCN-NVNXTCNLSA-N	-1	0	465.247	2.676	40	10		JFCBRM
COC(=O)COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1OC	ZINC000408773649	570039667	/nfs/dbraw/zinc/03/96/67/570039667.db2.gz	SMKHEAHRHAYPEG-OVCLIPMQSA-N	-1	0	458.854	2.875	40	10		JFCBRM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(Br)c3)C2=O)cc1	ZINC000408807524	570048015	/nfs/dbraw/zinc/04/80/15/570048015.db2.gz	DAMDRHZJWHCTLD-NTEUORMPSA-N	-1	0	459.252	2.911	40	10		JFCBRM
COc1cc(I)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c1O	ZINC000408844423	570054222	/nfs/dbraw/zinc/05/42/22/570054222.db2.gz	INMVHZLIUKXKFS-YRNVUSSQSA-N	-1	0	498.273	2.976	40	10		JFCBRM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Br)c1OC(=O)c1ccccc1	ZINC000408893293	570066482	/nfs/dbraw/zinc/06/64/82/570066482.db2.gz	DPBOOTVEKVALRY-UHFFFAOYSA-N	-1	0	459.252	2.816	40	10		JFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1O	ZINC000408951095	570084097	/nfs/dbraw/zinc/08/40/97/570084097.db2.gz	LCOHGSWTWHAIIA-LFYBBSHMSA-N	-1	0	475.251	2.949	40	10		JFCBRM
CCOC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc1OC	ZINC000408987510	570092835	/nfs/dbraw/zinc/09/28/35/570092835.db2.gz	FOEZNLXVJXPFMS-GZTJUZNOSA-N	-1	0	454.504	2.777	40	10		JFCBRM
O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(O)c(I)c1	ZINC000409017621	570101752	/nfs/dbraw/zinc/10/17/52/570101752.db2.gz	GBUGLABHGKZTKJ-WUXMJOGZSA-N	-1	0	468.247	2.967	40	10		JFCBRM
COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3OC)C(=O)[N-]C2=S)c(OC)c1	ZINC000409100992	570128408	/nfs/dbraw/zinc/12/84/08/570128408.db2.gz	WIRHUUIWWWKWLL-GXDHUFHOSA-N	-1	0	458.492	2.561	40	10		JFCBRM
COC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c2cc(Br)ccc21	ZINC000409140539	570144381	/nfs/dbraw/zinc/14/43/81/570144381.db2.gz	ITKUMLDFBZUZEB-FRKPEAEDSA-N	-1	0	486.278	2.832	40	10		JFCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)n1C[C@@H]1CCCO1	ZINC000409197566	570164009	/nfs/dbraw/zinc/16/40/09/570164009.db2.gz	IUAYKTUUTVSKPQ-JHBOHYQCSA-N	-1	0	451.479	2.675	40	10		JFCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(N)=O)c(OCC)c3)C2=O)cc1	ZINC000409223142	570175132	/nfs/dbraw/zinc/17/51/32/570175132.db2.gz	HFDJKMQLDLWZGZ-CXUHLZMHSA-N	-1	0	487.896	2.668	40	10		JFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(N)=O	ZINC000409225732	570175885	/nfs/dbraw/zinc/17/58/85/570175885.db2.gz	OKBMEBNLZBZDKY-OVCLIPMQSA-N	-1	0	457.870	2.578	40	10		JFCBRM
COC(=O)COc1c(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cccc1OC	ZINC000408526263	570185759	/nfs/dbraw/zinc/18/57/59/570185759.db2.gz	AIELOGNKTQXRMM-NTEUORMPSA-N	-1	0	464.546	2.855	40	10		JFCBRM
CCN(CC)c1cc2c(cc1NC=C1C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C1=O)n(C)c(=O)n2C	ZINC000408526994	570186247	/nfs/dbraw/zinc/18/62/47/570186247.db2.gz	DPUMRNTXLZWGJF-NBVRZTHBSA-N	-1	0	490.564	2.919	40	10		JFCBRM
Cc1ccc(C)c(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2Br)c1	ZINC000409261561	570187662	/nfs/dbraw/zinc/18/76/62/570187662.db2.gz	DADNRMNHXAPKHJ-UHFFFAOYSA-N	-1	0	472.295	2.833	40	10		JFCBRM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	ZINC000409263312	570187967	/nfs/dbraw/zinc/18/79/67/570187967.db2.gz	MBNZAXOUSVYIKE-UHFFFAOYSA-N	-1	0	457.870	2.814	40	10		JFCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)C2=O)cc1	ZINC000006601088	194433083	/nfs/dbraw/zinc/43/30/83/194433083.db2.gz	TXEYHEQHEMYQAF-CPNJWEJPSA-N	-1	0	481.486	2.659	40	10		JFCBRM
COc1ccccc1N1C(=O)/C(=C\c2ccc(I)o2)C(=O)[N-]C1=S	ZINC000009323212	194691311	/nfs/dbraw/zinc/69/13/11/194691311.db2.gz	FXHHXKNOPNUZPN-NTMALXAHSA-N	-1	0	454.245	2.724	40	10		JFCBRM
COc1ccc(CCN2C(=O)/C(=C3\c4ccccc4N(CC(=O)[O-])C3=O)SC2=S)cc1	ZINC000008821631	554710225	/nfs/dbraw/zinc/71/02/25/554710225.db2.gz	CBJQSXQWVNMEIF-HNENSFHCSA-N	-1	0	454.529	2.941	40	10		JFCBRM
CC[C@H](C)[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S)C(=O)[O-]	ZINC000008870133	554764576	/nfs/dbraw/zinc/76/45/76/554764576.db2.gz	XGHBTTNSKURAKG-VEAURQBPSA-N	-1	0	466.581	2.911	40	10		JFCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)c1C	ZINC000009260082	555034424	/nfs/dbraw/zinc/03/44/24/555034424.db2.gz	PNVYNOHONQXMIZ-KGENOOAVSA-N	-1	0	486.528	2.783	40	10		JFCBRM
COC(=O)[C@H](C)Oc1c(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000033658630	569629993	/nfs/dbraw/zinc/62/99/93/569629993.db2.gz	DNXDVICNEGPEMU-KSSSLANASA-N	-1	0	490.266	2.759	40	10		JFCBRM
CCOC(=O)COc1cc(Br)c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC	ZINC000034764249	569658335	/nfs/dbraw/zinc/65/83/35/569658335.db2.gz	PTHMIYJCUDXZND-DHDCSXOGSA-N	-1	0	475.295	2.861	40	10		JFCBRM
CCOC(=O)c1sc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(C(=O)OCC)c1C	ZINC000100207832	569755332	/nfs/dbraw/zinc/75/53/32/569755332.db2.gz	QCUKDYBFFYKSSQ-KAMYIIQDSA-N	-1	0	471.491	2.989	40	10		JFCBRM
Cc1[n-]n(C(=O)CC(=O)NC(=O)C=Cc2ccccc2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1	ZINC000104307012	569845051	/nfs/dbraw/zinc/84/50/51/569845051.db2.gz	MAOPWWYONTVTMB-PJAMSPJLSA-N	-1	0	462.422	2.538	40	10		JFCBRM
CCOC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1Br	ZINC000107590206	569856620	/nfs/dbraw/zinc/85/66/20/569856620.db2.gz	MBYMLVPJBZSKDV-RIYZIHGNSA-N	-1	0	477.267	2.646	40	10		JFCBRM
Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000214641234	569876795	/nfs/dbraw/zinc/87/67/95/569876795.db2.gz	ZGOBCRVYPRVETC-XDHOZWIPSA-N	-1	0	469.519	2.687	40	10		JFCBRM
O=C1[N-]C(=O)C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)C(=O)N1	ZINC000408887109	570064697	/nfs/dbraw/zinc/06/46/97/570064697.db2.gz	MCMFIJZXPIYFSJ-UHFFFAOYSA-N	-1	0	477.183	2.807	40	10		JFCBRM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1N1CCOCC1	ZINC000408903368	570069789	/nfs/dbraw/zinc/06/97/89/570069789.db2.gz	RRPQWNWLSMOTHQ-LGMDPLHJSA-N	-1	0	456.296	2.952	40	10		JFCBRM
COc1cc(C=C2C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1	ZINC000408909634	570072091	/nfs/dbraw/zinc/07/20/91/570072091.db2.gz	HWJOVBQGMBXVEC-VGOFMYFVSA-N	-1	0	460.895	2.882	40	10		JFCBRM
CCOC(=O)CN1C(=O)/C(=C/N2N=C(c3ccc4c(c3)CCCC4)C[C@H]2C(=O)[O-])SC1=S	ZINC000256055941	570107047	/nfs/dbraw/zinc/10/70/47/570107047.db2.gz	ZXPHBSQHUSYZTG-PBXDPIQXSA-N	-1	0	473.576	2.693	40	10		JFCBRM
CCOC(=O)CN1C(=O)/C(=C/N2N=C(c3ccc(Br)cc3)C[C@@H]2C(=O)[O-])SC1=S	ZINC000256055719	570107049	/nfs/dbraw/zinc/10/70/49/570107049.db2.gz	QQFNBMVRWBPSRC-HRYODUOUSA-N	-1	0	498.380	2.577	40	10		JFCBRM
O=C1[N-]C(=O)C(=Cc2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)C(=O)N1	ZINC000409072770	570118914	/nfs/dbraw/zinc/11/89/14/570118914.db2.gz	KXMJFCOWUICEPD-UHFFFAOYSA-N	-1	0	485.699	2.620	40	10		JFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1	ZINC000409075418	570119815	/nfs/dbraw/zinc/11/98/15/570119815.db2.gz	YLYDDEIBRLWGHF-CPNJWEJPSA-N	-1	0	494.481	2.835	40	10		JFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(N)=O)c(Br)c3)C2=O)cc1C	ZINC000409224265	570175526	/nfs/dbraw/zinc/17/55/26/570175526.db2.gz	KNYZVHXWYOHLLN-OVCLIPMQSA-N	-1	0	472.295	2.596	40	10		JFCBRM
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(N)=O)c(Br)c2)C1=O	ZINC000409227165	570176206	/nfs/dbraw/zinc/17/62/06/570176206.db2.gz	SVCZXSPPXMNXHR-KPKJPENVSA-N	-1	0	492.713	2.941	40	10		JFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc4c(cc3Br)n(C)c(=O)n4C)C2=O)cc1C	ZINC000408526227	570185788	/nfs/dbraw/zinc/18/57/88/570185788.db2.gz	AJLHMRIILZNREJ-GXDHUFHOSA-N	-1	0	498.337	2.835	40	10		JFCBRM
CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2OC)C1=O	ZINC000408528622	570186849	/nfs/dbraw/zinc/18/68/49/570186849.db2.gz	HYKAKEXDHONUQK-OUKQBFOZSA-N	-1	0	464.482	2.702	40	10		JFCBRM
Cc1ccccc1NC(=O)COc1ccc(Br)cc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000409263487	570187906	/nfs/dbraw/zinc/18/79/06/570187906.db2.gz	LGVUZCUFAIMZIA-UHFFFAOYSA-N	-1	0	458.268	2.524	40	10		JFCBRM
CCN(CC)c1cc2c(cc1NC=C1C(=O)[N-]C(=O)N(c3ccc(C)cc3)C1=O)n(C)c(=O)n2C	ZINC000408531758	570188246	/nfs/dbraw/zinc/18/82/46/570188246.db2.gz	LMIJCNRTOOIYCH-VKAVYKQESA-N	-1	0	476.537	2.610	40	10		JFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	ZINC000409267530	570188749	/nfs/dbraw/zinc/18/87/49/570188749.db2.gz	NGUKTFRRCAUKGG-UHFFFAOYSA-N	-1	0	457.870	2.732	40	10		JFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNN3C(=O)c4cccc5cccc(c54)C3=O)C2=O)cc1C	ZINC000408533897	570189211	/nfs/dbraw/zinc/18/92/11/570189211.db2.gz	PMLQFXIYFBSAFU-XDHOZWIPSA-N	-1	0	454.442	2.724	40	10		JFCBRM
CCN(CC)c1cc2c(cc1NC=C1C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C1=O)n(C)c(=O)n2C	ZINC000408534749	570189604	/nfs/dbraw/zinc/18/96/04/570189604.db2.gz	WQYCPXOVYAXGFG-SAPNQHFASA-N	-1	0	490.564	2.919	40	10		JFCBRM
CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](CC)C(=O)[O-])C2=O)cc1OC	ZINC000008870151	554764724	/nfs/dbraw/zinc/76/47/24/554764724.db2.gz	SYULEQZWTKPYSQ-KWWJGWKXSA-N	-1	0	452.554	2.665	40	10		JFCBRM
CCOC(=O)[C@@H](C)Oc1c(OCC)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000033431385	569626199	/nfs/dbraw/zinc/62/61/99/569626199.db2.gz	SXJZRJZCCOTOIB-RQNDZEIBSA-N	-1	0	469.450	2.785	40	10		JFCBRM
COC(=O)[C@H](C)Oc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)cc1OC	ZINC000033562092	569627923	/nfs/dbraw/zinc/62/79/23/569627923.db2.gz	CNJCHORFISOBKJ-KPENOIPVSA-N	-1	0	475.295	2.859	40	10		JFCBRM
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(I)c1OCC#N	ZINC000033596262	569628450	/nfs/dbraw/zinc/62/84/50/569628450.db2.gz	LTANFUOQXPKBQO-ZROIWOOFSA-N	-1	0	475.242	2.664	40	10		JFCBRM
O=C(COc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Cl)N1CCOCC1	ZINC000033668582	569630458	/nfs/dbraw/zinc/63/04/58/569630458.db2.gz	WETOIJJSPYRCEA-YBEGLDIGSA-N	-1	0	476.316	2.692	40	10		JFCBRM
COC(=O)[C@@H](C)Oc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1I	ZINC000033732953	569632615	/nfs/dbraw/zinc/63/26/15/569632615.db2.gz	VYYXNAJEKQAGKC-DYTQJMLRSA-N	-1	0	492.269	2.693	40	10		JFCBRM
COC(=O)[C@H](C)Oc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1I	ZINC000033732951	569632681	/nfs/dbraw/zinc/63/26/81/569632681.db2.gz	VYYXNAJEKQAGKC-GQVHDAKQSA-N	-1	0	492.269	2.693	40	10		JFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(I)cc3)C2=O)cc1	ZINC000100986965	569778622	/nfs/dbraw/zinc/77/86/22/569778622.db2.gz	YVXFQXBLLAUICV-GDNBJRDFSA-N	-1	0	463.231	2.879	40	10		JFCBRM
Cc1[n-]n(C(=O)CC(=O)NC(=O)C=Cc2ccccc2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1	ZINC000102937844	569829484	/nfs/dbraw/zinc/82/94/84/569829484.db2.gz	MAOPWWYONTVTMB-AOTSVXINSA-N	-1	0	462.422	2.538	40	10		JFCBRM
Cc1[n-]n(C(=O)CC(=O)NC(=O)C=Cc2ccccc2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1	ZINC000104307024	569845097	/nfs/dbraw/zinc/84/50/97/569845097.db2.gz	MAOPWWYONTVTMB-VRGDNFOMSA-N	-1	0	462.422	2.538	40	10		JFCBRM
COc1cc(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1O	ZINC000408844681	570054345	/nfs/dbraw/zinc/05/43/45/570054345.db2.gz	IFOOBNPUFYDOKW-NTUHNPAUSA-N	-1	0	482.205	2.811	40	10		JFCBRM
COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1[N+](=O)[O-]	ZINC000408848616	570055059	/nfs/dbraw/zinc/05/50/59/570055059.db2.gz	RWIWYACVCAQXAP-NYYWCZLTSA-N	-1	0	490.222	2.761	40	10		JFCBRM
CCOC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC	ZINC000408849802	570055303	/nfs/dbraw/zinc/05/53/03/570055303.db2.gz	ZGNZGYODSXSWAD-WOJGMQOQSA-N	-1	0	452.463	2.920	40	10		JFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(I)c1O	ZINC000408914190	570074411	/nfs/dbraw/zinc/07/44/11/570074411.db2.gz	XIIPMASKRRIYPS-LFYBBSHMSA-N	-1	0	482.205	2.811	40	10		JFCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	ZINC000408966349	570087547	/nfs/dbraw/zinc/08/75/47/570087547.db2.gz	LZCUMAXCOXGAQG-FYJGNVAPSA-N	-1	0	478.530	2.716	40	10		JFCBRM
CCOC(=O)CN1C(=O)/C(=C/N2N=C(c3ccc(Br)cc3)C[C@H]2C(=O)[O-])SC1=S	ZINC000256055720	570107041	/nfs/dbraw/zinc/10/70/41/570107041.db2.gz	QQFNBMVRWBPSRC-IAOKNECISA-N	-1	0	498.380	2.577	40	10		JFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)cc3C)C2=O)c(OC)c1	ZINC000409099672	570127843	/nfs/dbraw/zinc/12/78/43/570127843.db2.gz	RXEKLKHJLAZZQJ-CPNJWEJPSA-N	-1	0	451.479	2.515	40	10		JFCBRM
Cc1ccc(NC(=O)COc2ccc(Br)cc2C=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000409218811	570173672	/nfs/dbraw/zinc/17/36/72/570173672.db2.gz	HGFKWVXNPOUPHD-UHFFFAOYSA-N	-1	0	458.268	2.524	40	10		JFCBRM
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(N)=O)c(Br)c2)C1=O	ZINC000409224802	570175740	/nfs/dbraw/zinc/17/57/40/570175740.db2.gz	MUIBXQBLRQGCFL-AWNIVKPZSA-N	-1	0	492.713	2.941	40	10		JFCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(I)o2)C1=O	ZINC000409230523	570177593	/nfs/dbraw/zinc/17/75/93/570177593.db2.gz	ZCAVIHXWPTZIAY-PKNBQFBNSA-N	-1	0	452.204	2.949	40	10		JFCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(S(=O)(=O)N(CC)CC)cc3)C2=O)cc1	ZINC000408528367	570186828	/nfs/dbraw/zinc/18/68/28/570186828.db2.gz	HLKSZVLTAARTMX-HMMYKYKNSA-N	-1	0	486.550	2.695	40	10		JFCBRM
Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2C=C2C(=O)[N-]C(=O)NC2=O)c1	ZINC000409256085	570186978	/nfs/dbraw/zinc/18/69/78/570186978.db2.gz	JPGOWIUTROQNNW-UHFFFAOYSA-N	-1	0	472.295	2.833	40	10		JFCBRM
Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CCOCC3)C2=O)c(C)c1	ZINC000408534345	570189330	/nfs/dbraw/zinc/18/93/30/570189330.db2.gz	QLNDDFVQOZBFIS-FOWTUZBSSA-N	-1	0	490.520	2.609	40	10		JFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc4c(cc3Br)n(C)c(=O)n4C)C2=O)c(C)c1	ZINC000408534809	570189671	/nfs/dbraw/zinc/18/96/71/570189671.db2.gz	RGYPEDOMTIYZMM-JLHYYAGUSA-N	-1	0	498.337	2.835	40	10		JFCBRM
COC(=O)Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(c2ccccc2)N=C1CC(=O)OC	ZINC000044791099	523380188	/nfs/dbraw/zinc/38/01/88/523380188.db2.gz	LIMOJMLWLLJPII-UYRXBGFRSA-N	-1	0	474.473	2.643	40	10		JFCBRM
NS(=O)(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]N(c4ccc(Br)cc4)C3=O)o2)cc1	ZINC000016157495	527306079	/nfs/dbraw/zinc/30/60/79/527306079.db2.gz	GBKGDBTZTPKXOO-GZTJUZNOSA-N	-1	0	488.319	2.818	40	10		JFCBRM
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](CCSC)C(=O)[O-])C2=O)cc1OC	ZINC000008870139	554764732	/nfs/dbraw/zinc/76/47/32/554764732.db2.gz	PWHGMIIPLRGSKV-KWWJGWKXSA-N	-1	0	484.621	2.618	40	10		JFCBRM
CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)[O-])c(OC)c2)SC1=S	ZINC000009973084	555573405	/nfs/dbraw/zinc/57/34/05/555573405.db2.gz	MXDCZYKOEMOHMV-WDZFZDKYSA-N	-1	0	479.317	2.984	40	10		JFCBRM
COC(=O)[C@H](C)Oc1c(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)cc1OC	ZINC000033562093	569627907	/nfs/dbraw/zinc/62/79/07/569627907.db2.gz	CNJCHORFISOBKJ-SEJMYLSOSA-N	-1	0	475.295	2.859	40	10		JFCBRM
CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000033655461	569629776	/nfs/dbraw/zinc/62/97/76/569629776.db2.gz	QNJGJQXKDOBVJJ-ZSOIEALJSA-N	-1	0	490.266	2.761	40	10		JFCBRM
CCOC(=O)COc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1I	ZINC000108277110	569859416	/nfs/dbraw/zinc/85/94/16/569859416.db2.gz	IMSRRBFPEGKHKV-GDNBJRDFSA-N	-1	0	492.269	2.695	40	10		JFCBRM
CCOC(=O)COc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)cc1OC	ZINC000108945298	569859936	/nfs/dbraw/zinc/85/99/36/569859936.db2.gz	UTJKGXYOIMQCSE-YBEGLDIGSA-N	-1	0	475.295	2.861	40	10		JFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(I)c1O	ZINC000408695302	570017663	/nfs/dbraw/zinc/01/76/63/570017663.db2.gz	RMHBZQZHZUKWTP-KPKJPENVSA-N	-1	0	470.263	2.800	40	10		JFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(Br)cc1OCC(=O)OC	ZINC000408695725	570018062	/nfs/dbraw/zinc/01/80/62/570018062.db2.gz	XUGORTUTGMBZSH-RIYZIHGNSA-N	-1	0	495.326	2.804	40	10		JFCBRM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(O)c(I)c1	ZINC000408904128	570070334	/nfs/dbraw/zinc/07/03/34/570070334.db2.gz	FEMFLVDPKZNEKB-XYOKQWHBSA-N	-1	0	450.257	2.828	40	10		JFCBRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	ZINC000408831597	570052791	/nfs/dbraw/zinc/05/27/91/570052791.db2.gz	WFHMAYGETQRFDO-FBHQFGEZSA-N	-1	0	491.569	2.563	40	10		JFCBRM
CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC(=O)OC)C2=O)c1	ZINC000408854812	570056294	/nfs/dbraw/zinc/05/62/94/570056294.db2.gz	BSHCQMMUHQZART-SFQUDFHCSA-N	-1	0	468.462	2.702	40	10		JFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(N4CCOCC4)o3)C2=O)cc1	ZINC000408859393	570057005	/nfs/dbraw/zinc/05/70/05/570057005.db2.gz	WUMJFFTUOINKBZ-XNTDXEJSSA-N	-1	0	460.284	2.854	40	10		JFCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1I	ZINC000408946432	570083525	/nfs/dbraw/zinc/08/35/25/570083525.db2.gz	ABSQJEZYMBGYNT-WUXMJOGZSA-N	-1	0	492.225	2.695	40	10		JFCBRM
CCOc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c1O	ZINC000408956850	570085019	/nfs/dbraw/zinc/08/50/19/570085019.db2.gz	YTWFLTXFIOMOAU-AWNIVKPZSA-N	-1	0	475.251	2.949	40	10		JFCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	ZINC000408966503	570087627	/nfs/dbraw/zinc/08/76/27/570087627.db2.gz	MYDTXFJFENGMCE-DEDYPNTBSA-N	-1	0	480.571	2.573	40	10		JFCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	ZINC000408968106	570088139	/nfs/dbraw/zinc/08/81/39/570088139.db2.gz	WKYMECZIJPLIQE-RGVLZGJSSA-N	-1	0	482.493	2.547	40	10		JFCBRM
CCOC(=O)CN1C(=O)/C(=C/N2N=C(c3ccc4c(c3)CCCC4)C[C@@H]2C(=O)[O-])SC1=S	ZINC000256055940	570107002	/nfs/dbraw/zinc/10/70/02/570107002.db2.gz	ZXPHBSQHUSYZTG-LVSMMTLPSA-N	-1	0	473.576	2.693	40	10		JFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1	ZINC000409054879	570111201	/nfs/dbraw/zinc/11/12/01/570111201.db2.gz	HAIHKYJVHBVMKB-UHFFFAOYSA-N	-1	0	488.294	2.533	40	10		JFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	ZINC000409066066	570116358	/nfs/dbraw/zinc/11/63/58/570116358.db2.gz	AIZXJRYJYPMAJQ-UHFFFAOYSA-N	-1	0	471.274	2.519	40	10		JFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000409089488	570124290	/nfs/dbraw/zinc/12/42/90/570124290.db2.gz	MOWBVEHKWRUNEM-UHFFFAOYSA-N	-1	0	462.758	2.707	40	10		JFCBRM
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(N)=O)C2=O)cc1OC	ZINC000409222923	570175147	/nfs/dbraw/zinc/17/51/47/570175147.db2.gz	DSCOGNXJSSOCPT-MHWRWJLKSA-N	-1	0	487.896	2.668	40	10		JFCBRM
Cn1c2cc(NC=C3C(=O)[N-]C(=O)N(c4ccccc4Cl)C3=O)c(N3CCCC3)cc2n(C)c1=O	ZINC000408526339	570185986	/nfs/dbraw/zinc/18/59/86/570185986.db2.gz	BAWWGRKIVGWLGX-BUHFOSPRSA-N	-1	0	494.939	2.709	40	10		JFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	ZINC000409256798	570187110	/nfs/dbraw/zinc/18/71/10/570187110.db2.gz	NISUWWVLWPXXKM-UHFFFAOYSA-N	-1	0	464.261	2.769	40	10		JFCBRM
Cc1cc(N2C(=O)[N-]C(=O)C(=CNC(=S)NCc3ccccc3)C2=O)ccc1Br	ZINC000408533074	570188797	/nfs/dbraw/zinc/18/87/97/570188797.db2.gz	OASMDQSJOFRUBF-RVDMUPIBSA-N	-1	0	473.352	2.889	40	10		JFCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cc3c(cc2N2CCCC2)n(C)c(=O)n3C)C1=O	ZINC000408537040	570190621	/nfs/dbraw/zinc/19/06/21/570190621.db2.gz	YWVKYBAMODYOKB-BMRADRMJSA-N	-1	0	488.548	2.618	40	10		JFCBRM
O=C(Cn1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c2ccccc21)N1CCOCC1	ZINC000001789359	194140730	/nfs/dbraw/zinc/14/07/30/194140730.db2.gz	SESFDBCPVCJPSR-XDHOZWIPSA-N	-1	0	462.462	2.595	40	10		JFCBRM
Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=CNc2ccc3[nH]c(=O)[nH]c3c2)C1=O	ZINC000016282423	526166780	/nfs/dbraw/zinc/16/67/80/526166780.db2.gz	BUYIHJGIPXPKFC-WQLSENKSSA-N	-1	0	456.256	2.506	40	10		JFCBRM
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](CC(C)C)C(=O)[O-])C2=O)cc1OC	ZINC000008870128	554764586	/nfs/dbraw/zinc/76/45/86/554764586.db2.gz	MUPFVILOMZWHCF-MPMPPSQCSA-N	-1	0	466.581	2.911	40	10		JFCBRM
CC[C@@H](C)[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S)C(=O)[O-]	ZINC000008870130	554764589	/nfs/dbraw/zinc/76/45/89/554764589.db2.gz	XGHBTTNSKURAKG-VNNFYYNHSA-N	-1	0	466.581	2.911	40	10		JFCBRM
O=C1Nc2ccc(Br)cc2/C1=C1/SC(=S)N([N-]S(=O)(=O)c2ccccc2)C1=O	ZINC000013122196	556338807	/nfs/dbraw/zinc/33/88/07/556338807.db2.gz	MELBHLSUSRXGSC-YPKPFQOOSA-N	-1	0	496.389	2.866	40	10		JFCBRM
COC(=O)[C@@H](C)Oc1cc(Br)c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC	ZINC000033779213	569634502	/nfs/dbraw/zinc/63/45/02/569634502.db2.gz	LRRGXJCYVHJZAP-CDCQXCROSA-N	-1	0	475.295	2.859	40	10		JFCBRM
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCC(=O)OC(C)C	ZINC000033851014	569636339	/nfs/dbraw/zinc/63/63/39/569636339.db2.gz	TXDIFVZMDVPREP-YVLHZVERSA-N	-1	0	469.450	2.785	40	10		JFCBRM
CCOC(=O)COc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1OC	ZINC000408692144	570015310	/nfs/dbraw/zinc/01/53/10/570015310.db2.gz	FGPTUBVBYPNINR-RIYZIHGNSA-N	-1	0	495.326	2.804	40	10		JFCBRM
COc1cc(Br)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c1O	ZINC000408844159	570054213	/nfs/dbraw/zinc/05/42/13/570054213.db2.gz	HDEOPNATLUAYNN-LFYBBSHMSA-N	-1	0	461.224	2.558	40	10		JFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)OC	ZINC000408855946	570056541	/nfs/dbraw/zinc/05/65/41/570056541.db2.gz	OWLCAIGVOKJWRG-WOJGMQOQSA-N	-1	0	452.463	2.920	40	10		JFCBRM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(OC)c3)C2=O)cc1	ZINC000408874918	570060928	/nfs/dbraw/zinc/06/09/28/570060928.db2.gz	FGYWUBAHFUDFSI-CXUHLZMHSA-N	-1	0	459.252	2.911	40	10		JFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1O	ZINC000408949630	570083881	/nfs/dbraw/zinc/08/38/81/570083881.db2.gz	IOEINJJOSIWWDI-NYYWCZLTSA-N	-1	0	461.224	2.558	40	10		JFCBRM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1cc2c(cc1Br)OCO2	ZINC000408951029	570084094	/nfs/dbraw/zinc/08/40/94/570084094.db2.gz	KRWUBSXFTCQRKK-JYOAFUTRSA-N	-1	0	459.208	2.573	40	10		JFCBRM
COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)OC(C)C)cc3)C(=O)[N-]C2=S)cc1	ZINC000409186471	570160709	/nfs/dbraw/zinc/16/07/09/570160709.db2.gz	CKBSGHMGBLXGGI-XDHOZWIPSA-N	-1	0	454.504	2.857	40	10		JFCBRM
O=C(COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Br)Nc1ccc(Cl)cc1	ZINC000409220403	570174018	/nfs/dbraw/zinc/17/40/18/570174018.db2.gz	YUILXBMLGQDQSY-UHFFFAOYSA-N	-1	0	478.686	2.869	40	10		JFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(N)=O	ZINC000409223321	570175229	/nfs/dbraw/zinc/17/52/29/570175229.db2.gz	GXDIOYQJOOMSJQ-WUXMJOGZSA-N	-1	0	464.261	2.533	40	10		JFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	ZINC000409224630	570175575	/nfs/dbraw/zinc/17/55/75/570175575.db2.gz	LKBKURLJCGOORD-UHFFFAOYSA-N	-1	0	464.261	2.769	40	10		JFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	ZINC000409224847	570175697	/nfs/dbraw/zinc/17/56/97/570175697.db2.gz	MQQCYHSYAMUEBC-UHFFFAOYSA-N	-1	0	488.294	2.533	40	10		JFCBRM
COc1cc([N+](=O)[O-])ccc1NNC=C1C(=O)[N-]C(=O)N(c2ccc(Br)c(C)c2)C1=O	ZINC000408528291	570186672	/nfs/dbraw/zinc/18/66/72/570186672.db2.gz	FRTGIJGORYKDKO-UKTHLTGXSA-N	-1	0	490.270	2.758	40	10		JFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	ZINC000409255951	570186930	/nfs/dbraw/zinc/18/69/30/570186930.db2.gz	MPQJLKDRIPDFOR-UHFFFAOYSA-N	-1	0	457.870	2.732	40	10		JFCBRM
CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(NC=C3C(=O)[N-]C(=O)N(c4ccccc4Cl)C3=O)cc21	ZINC000408529095	570187111	/nfs/dbraw/zinc/18/71/11/570187111.db2.gz	GWXNTRJGXBUPES-VAWYXSNFSA-N	-1	0	498.883	2.983	40	10		JFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNC(=O)Nc3ccc(Br)cc3)C2=O)cc1	ZINC000408531502	570188152	/nfs/dbraw/zinc/18/81/52/570188152.db2.gz	KPRIOAOIJYUHLH-GDNBJRDFSA-N	-1	0	459.256	2.746	40	10		JFCBRM
Cc1cc(N2C(=O)[N-]C(=O)C(=CNc3ccc4c(c3)n(C)c(=O)n4C)C2=O)ccc1Br	ZINC000408533500	570189030	/nfs/dbraw/zinc/18/90/30/570189030.db2.gz	SRPKEDXIUQJKBL-GXDHUFHOSA-N	-1	0	484.310	2.527	40	10		JFCBRM
Cn1c(=O)oc2cc(S(=O)(=O)Nc3cc(SCC(=O)[O-])c(O)c4ccccc34)ccc21	ZINC000001893406	194153027	/nfs/dbraw/zinc/15/30/27/194153027.db2.gz	MPVOMYOUCHNTSW-UHFFFAOYSA-N	-1	0	460.489	2.968	40	10		JFCBRM
Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=CNc2cc([N+](=O)[O-])ccc2O)C1=O	ZINC000016282417	526167851	/nfs/dbraw/zinc/16/78/51/526167851.db2.gz	LNHVHCFXLAHOKC-WQLSENKSSA-N	-1	0	461.228	2.950	40	10		JFCBRM
NS(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccc(F)c(Cl)c4)C3=O)o2)cc1	ZINC000016429452	527306448	/nfs/dbraw/zinc/30/64/48/527306448.db2.gz	QPIHIWQUGPTJFZ-GDNBJRDFSA-N	-1	0	461.858	2.848	40	10		JFCBRM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1	ZINC000000885631	553824524	/nfs/dbraw/zinc/82/45/24/553824524.db2.gz	SCECIFLCBXEPIW-FMIVXFBMSA-N	-1	0	480.315	2.849	40	10		JFCBRM
CC[C@@H](C)[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S)C(=O)[O-]	ZINC000008870132	554764555	/nfs/dbraw/zinc/76/45/55/554764555.db2.gz	XGHBTTNSKURAKG-CHAKXCOVSA-N	-1	0	466.581	2.911	40	10		JFCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)cc1	ZINC000009260046	555034383	/nfs/dbraw/zinc/03/43/83/555034383.db2.gz	FITWXNWTDYGKMD-JCMHNJIXSA-N	-1	0	486.528	2.729	40	10		JFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc(I)c1O	ZINC000009295827	555072170	/nfs/dbraw/zinc/07/21/70/555072170.db2.gz	FEXGRDNCEPDWCE-WUXMJOGZSA-N	-1	0	498.273	2.976	40	10		JFCBRM
O=C(Cn1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c2ccccc21)NCc1ccco1	ZINC000013425243	555399347	/nfs/dbraw/zinc/39/93/47/555399347.db2.gz	JLDOSNNAMYGDBW-RGVLZGJSSA-N	-1	0	472.457	2.806	40	10		JFCBRM
COC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC	ZINC000015010434	555854073	/nfs/dbraw/zinc/85/40/73/555854073.db2.gz	BNBYAVAFTVLQPA-DHDCSXOGSA-N	-1	0	460.895	2.732	40	10		JFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1	ZINC000059858380	569607798	/nfs/dbraw/zinc/60/77/98/569607798.db2.gz	QPSSVBTTYFMUNH-UNOMPAQXSA-N	-1	0	476.449	2.985	40	10		JFCBRM
CCOC(=O)[C@H](C)Oc1c(OCC)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1[N+](=O)[O-]	ZINC000033431389	569626242	/nfs/dbraw/zinc/62/62/42/569626242.db2.gz	SXJZRJZCCOTOIB-FMNVXAMXSA-N	-1	0	469.450	2.785	40	10		JFCBRM
COC(=O)[C@@H](C)Oc1c(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)cc1OC	ZINC000033562091	569627931	/nfs/dbraw/zinc/62/79/31/569627931.db2.gz	CNJCHORFISOBKJ-HMHNVIDESA-N	-1	0	475.295	2.859	40	10		JFCBRM
O=C(COc1ccc2ccccc2c1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O)N1CCOCC1	ZINC000033654987	569629804	/nfs/dbraw/zinc/62/98/04/569629804.db2.gz	CLZCXYTYWVRPDJ-JWGURIENSA-N	-1	0	457.486	2.539	40	10		JFCBRM
Cc1[n-]n(C(=O)CC(=O)NC(=O)C=Cc2ccccc2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1	ZINC000104307018	569845054	/nfs/dbraw/zinc/84/50/54/569845054.db2.gz	MAOPWWYONTVTMB-RDZHPTFQSA-N	-1	0	462.422	2.538	40	10		JFCBRM
COC(=O)COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)c(C)c2)C1=O	ZINC000408763161	570037397	/nfs/dbraw/zinc/03/73/97/570037397.db2.gz	NSMXFYGGZLYORL-XNTDXEJSSA-N	-1	0	473.279	2.976	40	10		JFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCC(=O)OC	ZINC000408771298	570039031	/nfs/dbraw/zinc/03/90/31/570039031.db2.gz	GVJQRUGMKYSGSA-WOJGMQOQSA-N	-1	0	452.463	2.920	40	10		JFCBRM
CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3O)C2=O)cc1	ZINC000408883674	570063684	/nfs/dbraw/zinc/06/36/84/570063684.db2.gz	UISQEGNEYODLDS-XNTDXEJSSA-N	-1	0	459.252	2.998	40	10		JFCBRM
COC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1Br	ZINC000408916871	570075641	/nfs/dbraw/zinc/07/56/41/570075641.db2.gz	HTSGTVBFCNGWKD-ZSOIEALJSA-N	-1	0	493.310	2.971	40	10		JFCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C1=O	ZINC000408965110	570087218	/nfs/dbraw/zinc/08/72/18/570087218.db2.gz	GQDYODAMEPGMEQ-KGENOOAVSA-N	-1	0	492.557	2.970	40	10		JFCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	ZINC000408966843	570087748	/nfs/dbraw/zinc/08/77/48/570087748.db2.gz	OLZCNKVJKFHVEB-DEDYPNTBSA-N	-1	0	494.598	2.881	40	10		JFCBRM
Cc1cccc(NC(=O)COc2ccc(Br)cc2C=C2C(=O)[N-]C(=O)NC2=O)c1	ZINC000409050164	570109697	/nfs/dbraw/zinc/10/96/97/570109697.db2.gz	ZRFWZPVWPWEVAA-UHFFFAOYSA-N	-1	0	458.268	2.524	40	10		JFCBRM
COC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(OC)cc3OC)C2=O)c2ccccc21	ZINC000409100007	570128015	/nfs/dbraw/zinc/12/80/15/570128015.db2.gz	PDHVXFODIOQOJY-LICLKQGHSA-N	-1	0	479.514	2.663	40	10		JFCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(N)=O)c(Cl)c3)C2=O)cc1	ZINC000409219643	570173933	/nfs/dbraw/zinc/17/39/33/570173933.db2.gz	OQZYSEKEZDRGIB-VGOFMYFVSA-N	-1	0	478.288	2.923	40	10		JFCBRM
O=C(COc1ccc(Br)cc1C=C1C(=O)[N-]C(=O)NC1=O)Nc1ccccc1Cl	ZINC000409252189	570186059	/nfs/dbraw/zinc/18/60/59/570186059.db2.gz	CNFIQLWVDINSEZ-UHFFFAOYSA-N	-1	0	478.686	2.869	40	10		JFCBRM
Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2Br)c(C)c1	ZINC000409253236	570186400	/nfs/dbraw/zinc/18/64/00/570186400.db2.gz	ASXJDHYMNGOXQW-UHFFFAOYSA-N	-1	0	472.295	2.833	40	10		JFCBRM
NC(=O)COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1Cl	ZINC000409259122	570187257	/nfs/dbraw/zinc/18/72/57/570187257.db2.gz	WQTUNBMZIGKRBN-SDQBBNPISA-N	-1	0	450.303	2.689	40	10		JFCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc4c(c3)n(CC)c(=O)n4CC)C2=O)cc1	ZINC000408531272	570187976	/nfs/dbraw/zinc/18/79/76/570187976.db2.gz	NPXLUNNQTLTLIA-NBVRZTHBSA-N	-1	0	463.494	2.820	40	10		JFCBRM
Cc1cc(N2C(=O)[N-]C(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N(C)C)C2=O)ccc1Br	ZINC000408532361	570188540	/nfs/dbraw/zinc/18/85/40/570188540.db2.gz	MLDWCFWXRUISEK-FMIVXFBMSA-N	-1	0	499.325	2.984	40	10		JFCBRM
CCn1c2cc(NC=C3C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)c([N+](=O)[O-])cc2n(CC)c1=O	ZINC000408532936	570188812	/nfs/dbraw/zinc/18/88/12/570188812.db2.gz	NEROIVUJAVNGJV-QINSGFPZSA-N	-1	0	478.465	2.638	40	10		JFCBRM
Cc1cc(Br)c(N2C(=O)[N-]C(=O)C(=CNc3ccc4[nH]c(=O)[nH]c4c3)C2=O)cc1C	ZINC000016267929	526153605	/nfs/dbraw/zinc/15/36/05/526153605.db2.gz	RGPGHDZRFGLUCN-WQLSENKSSA-N	-1	0	470.283	2.814	40	10		JFCBRM
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](CCSC)C(=O)[O-])C2=O)cc1	ZINC000008870109	554764598	/nfs/dbraw/zinc/76/45/98/554764598.db2.gz	SUHHEHOPPHRPDP-AYYGCFCKSA-N	-1	0	454.595	2.609	40	10		JFCBRM
CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(CC(=O)[O-])C1=O	ZINC000009310635	555086770	/nfs/dbraw/zinc/08/67/70/555086770.db2.gz	LGHLVMJQZBZXOA-WUXMJOGZSA-N	-1	0	460.327	2.677	40	10		JFCBRM
COC(=O)[C@@H](C)Oc1c(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC	ZINC000033793867	569635397	/nfs/dbraw/zinc/63/53/97/569635397.db2.gz	NRZYJQJYTCPMTE-CDCQXCROSA-N	-1	0	475.295	2.859	40	10		JFCBRM
O=C([O-])CN1C(=O)C(=Cc2c(=O)n3ccccc3nc2Oc2ccccc2Cl)SC1=S	ZINC000101035210	569780181	/nfs/dbraw/zinc/78/01/81/569780181.db2.gz	IYMKOGFNHBDEKZ-ZROIWOOFSA-O	-1	0	474.927	2.845	40	10		JFCBRM
COC(=O)Cc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1cc(C(=O)OC)cc(C(=O)OC)c1	ZINC000103920224	569839234	/nfs/dbraw/zinc/83/92/34/569839234.db2.gz	ATHNIUYPKZETCW-HMAPJEAMSA-N	-1	0	495.488	2.920	40	10		JFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(I)c1OCc1cccc(C)c1	ZINC000408816602	570050717	/nfs/dbraw/zinc/05/07/17/570050717.db2.gz	UCIAFCRIPIIASG-UHFFFAOYSA-N	-1	0	492.269	2.937	40	10		JFCBRM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)c1	ZINC000408900194	570068190	/nfs/dbraw/zinc/06/81/90/570068190.db2.gz	RWHJABJYAREQGR-UYRXBGFRSA-N	-1	0	450.451	2.715	40	10		JFCBRM
COc1cc(Br)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC	ZINC000408946748	570083660	/nfs/dbraw/zinc/08/36/60/570083660.db2.gz	AXMYRGOMENKNIX-LFYBBSHMSA-N	-1	0	475.251	2.861	40	10		JFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1O	ZINC000408952355	570084325	/nfs/dbraw/zinc/08/43/25/570084325.db2.gz	NLDINFVGNFKPGH-NYYWCZLTSA-N	-1	0	461.224	2.558	40	10		JFCBRM
CN(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br	ZINC000408954790	570084700	/nfs/dbraw/zinc/08/47/00/570084700.db2.gz	SMNZGGFIWGXBQB-NTUHNPAUSA-N	-1	0	458.268	2.910	40	10		JFCBRM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OC	ZINC000408956002	570084956	/nfs/dbraw/zinc/08/49/56/570084956.db2.gz	VPUBEJBYTQUECW-XGICHPGQSA-N	-1	0	475.251	2.861	40	10		JFCBRM
CCOC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc1OC	ZINC000408982377	570091188	/nfs/dbraw/zinc/09/11/88/570091188.db2.gz	GRGSJXGJNVPWEX-PDGQHHTCSA-N	-1	0	452.463	2.866	40	10		JFCBRM
O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccccc1OS(=O)(=O)c1ccccc1	ZINC000409067929	570117193	/nfs/dbraw/zinc/11/71/93/570117193.db2.gz	QUIOBQANULQWNS-XMHGGMMESA-N	-1	0	464.455	2.826	40	10		JFCBRM
COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(C)c3)C(=O)[N-]C2=S)c(OC)c1	ZINC000409106113	570130250	/nfs/dbraw/zinc/13/02/50/570130250.db2.gz	KWMQGUVKFVAOKC-QGOAFFKASA-N	-1	0	467.547	2.680	40	10		JFCBRM
CCOc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)C(=O)[N-]C2=S)c1	ZINC000409133030	570140952	/nfs/dbraw/zinc/14/09/52/570140952.db2.gz	QDMIACLQIVXOMH-LDADJPATSA-N	-1	0	455.511	2.892	40	10		JFCBRM
Cc1ccc(S(=O)(=O)N(Cc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)o2)Cc2ccccc2)cc1	ZINC000409185631	570160560	/nfs/dbraw/zinc/16/05/60/570160560.db2.gz	NQKUKBQZGBIELL-UHFFFAOYSA-N	-1	0	479.514	2.729	40	10		JFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(N)=O	ZINC000409218885	570173727	/nfs/dbraw/zinc/17/37/27/570173727.db2.gz	IGAFYZLQHOPWDU-WLRTZDKTSA-N	-1	0	478.288	2.841	40	10		JFCBRM
NC(=O)COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Cl	ZINC000409219183	570173796	/nfs/dbraw/zinc/17/37/96/570173796.db2.gz	KEVBQZQMXYUXDE-LFYBBSHMSA-N	-1	0	452.225	2.663	40	10		JFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(N)=O	ZINC000409219878	570173994	/nfs/dbraw/zinc/17/39/94/570173994.db2.gz	RFCZOQOVBZCBCI-WUXMJOGZSA-N	-1	0	478.288	2.841	40	10		JFCBRM
NC(=O)COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1	ZINC000409220143	570174085	/nfs/dbraw/zinc/17/40/85/570174085.db2.gz	UTIRNOOXFUHWTC-HMAPJEAMSA-N	-1	0	471.469	2.796	40	10		JFCBRM
NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1	ZINC000409221703	570174696	/nfs/dbraw/zinc/17/46/96/570174696.db2.gz	ACHNMDKTTWUHBS-HYARGMPZSA-N	-1	0	471.469	2.796	40	10		JFCBRM
O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)o1	ZINC000409222938	570175151	/nfs/dbraw/zinc/17/51/51/570175151.db2.gz	YFVVXFTXZYCVDJ-RVDMUPIBSA-N	-1	0	451.426	2.966	40	10		JFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCC(N)=O	ZINC000409223612	570175264	/nfs/dbraw/zinc/17/52/64/570175264.db2.gz	GLQDSAVQEUXLFM-OVCLIPMQSA-N	-1	0	457.870	2.578	40	10		JFCBRM
NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br	ZINC000409224085	570175413	/nfs/dbraw/zinc/17/54/13/570175413.db2.gz	IVYGMIDIMYJQBF-NTUHNPAUSA-N	-1	0	478.686	2.633	40	10		JFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(N)=O	ZINC000409227153	570176188	/nfs/dbraw/zinc/17/61/88/570176188.db2.gz	SLYFXZFLBVTSNG-LZYBPNLTSA-N	-1	0	471.897	2.886	40	10		JFCBRM
Cn1c2cc(NC=C3C(=O)[N-]C(=O)N(c4cccc5ccccc54)C3=O)c([N+](=O)[O-])cc2n(C)c1=O	ZINC000408536936	570190612	/nfs/dbraw/zinc/19/06/12/570190612.db2.gz	YJQKRMSEPFRCSQ-NTCAYCPXSA-N	-1	0	486.444	2.517	40	10		JFCBRM
COCCCNC(=O)Cn1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c2ccccc21	ZINC000002993828	194197526	/nfs/dbraw/zinc/19/75/26/194197526.db2.gz	RLEKCSQOKFAAPW-XDHOZWIPSA-N	-1	0	464.478	2.889	40	10		JFCBRM
COC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1OC	ZINC000016196186	523220099	/nfs/dbraw/zinc/22/00/99/523220099.db2.gz	GPXLEJYNCOVYOC-DHDCSXOGSA-N	-1	0	489.278	2.676	40	10		JFCBRM
COC(=O)COc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000016189836	523235969	/nfs/dbraw/zinc/23/59/69/523235969.db2.gz	WBCIIHHVCCLPKH-GDNBJRDFSA-N	-1	0	459.252	2.667	40	10		JFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)C2=O)cc1	ZINC000006162962	524926632	/nfs/dbraw/zinc/92/66/32/524926632.db2.gz	YOSWKRHSRALYPT-LDADJPATSA-N	-1	0	451.460	2.569	40	10		JFCBRM
CC[C@H](C)[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S)C(=O)[O-]	ZINC000008870131	554764565	/nfs/dbraw/zinc/76/45/65/554764565.db2.gz	XGHBTTNSKURAKG-SZHCBJNHSA-N	-1	0	466.581	2.911	40	10		JFCBRM
CN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C(=O)NC1=S	ZINC000009323251	555096528	/nfs/dbraw/zinc/09/65/28/555096528.db2.gz	IDZQNDWPBVUOHA-RIYZIHGNSA-N	-1	0	475.320	2.983	40	10		JFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)C2=O)c(C)c1	ZINC000013388167	555393841	/nfs/dbraw/zinc/39/38/41/555393841.db2.gz	MSEXCICEXFYPJZ-LDADJPATSA-N	-1	0	465.487	2.877	40	10		JFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(O)cc3O)C2=O)cc1	ZINC000059426732	569603640	/nfs/dbraw/zinc/60/36/40/569603640.db2.gz	IEWYYLOFHWUYGM-WUXMJOGZSA-N	-1	0	464.215	2.677	40	10		JFCBRM
COC(=O)[C@H](C)Oc1cc(Br)c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC	ZINC000033779211	569634526	/nfs/dbraw/zinc/63/45/26/569634526.db2.gz	LRRGXJCYVHJZAP-ZENNRRHLSA-N	-1	0	475.295	2.859	40	10		JFCBRM
C=CCc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OCC)c1OCC(=O)N1CCOCC1	ZINC000034721103	569652353	/nfs/dbraw/zinc/65/23/53/569652353.db2.gz	SEEMGFVLEBPBSM-JWGURIENSA-N	-1	0	491.544	2.513	40	10		JFCBRM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	ZINC000107768696	569857331	/nfs/dbraw/zinc/85/73/31/569857331.db2.gz	BIBJQSRDPUVSQX-UHFFFAOYSA-N	-1	0	461.833	2.645	40	10		JFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc(Br)c1OCC(=O)OC	ZINC000408693959	570016563	/nfs/dbraw/zinc/01/65/63/570016563.db2.gz	CZJATYHYKUAWMM-RIYZIHGNSA-N	-1	0	495.326	2.804	40	10		JFCBRM
COC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1	ZINC000408764624	570037682	/nfs/dbraw/zinc/03/76/82/570037682.db2.gz	UZFOYHVEBAIQAS-MHWRWJLKSA-N	-1	0	473.279	2.976	40	10		JFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)OC	ZINC000408777116	570040530	/nfs/dbraw/zinc/04/05/30/570040530.db2.gz	VMFUJKLZOQXWSE-MHWRWJLKSA-N	-1	0	458.854	2.957	40	10		JFCBRM
COC(=O)COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O	ZINC000408788115	570043522	/nfs/dbraw/zinc/04/35/22/570043522.db2.gz	BCZSIMREKIXSAG-MHWRWJLKSA-N	-1	0	473.279	2.976	40	10		JFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(I)c1OCc1ccc(F)cc1	ZINC000408806430	570047704	/nfs/dbraw/zinc/04/77/04/570047704.db2.gz	JESNLZQFDHNTGY-UHFFFAOYSA-N	-1	0	496.232	2.767	40	10		JFCBRM
COC(=O)COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1OC	ZINC000408845600	570054457	/nfs/dbraw/zinc/05/44/57/570054457.db2.gz	KRJDOMDLSBJNSQ-VGOFMYFVSA-N	-1	0	462.817	2.706	40	10		JFCBRM
COc1cc(I)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)c1	ZINC000408883340	570063691	/nfs/dbraw/zinc/06/36/91/570063691.db2.gz	PIESZFGBUDAAIC-OVCLIPMQSA-N	-1	0	464.215	2.672	40	10		JFCBRM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1	ZINC000408902319	570069237	/nfs/dbraw/zinc/06/92/37/570069237.db2.gz	HJLMKBKCFMJAID-QGOAFFKASA-N	-1	0	456.296	2.952	40	10		JFCBRM
NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	ZINC000408905122	570070388	/nfs/dbraw/zinc/07/03/88/570070388.db2.gz	TZVPXLQMRGRXAF-NTUHNPAUSA-N	-1	0	450.303	2.689	40	10		JFCBRM
COC(=O)COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(F)c2)C1=O	ZINC000408915503	570075256	/nfs/dbraw/zinc/07/52/56/570075256.db2.gz	WNOREMPYAIWEKK-OVCLIPMQSA-N	-1	0	477.242	2.806	40	10		JFCBRM
Cc1cccc(N2C(=O)/C(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)C(=O)[N-]C2=S)c1	ZINC000408962484	570086420	/nfs/dbraw/zinc/08/64/20/570086420.db2.gz	SOCYZKCVOYHPEY-KGENOOAVSA-N	-1	0	488.569	2.640	40	10		JFCBRM
CCOC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1OCC	ZINC000408989813	570093607	/nfs/dbraw/zinc/09/36/07/570093607.db2.gz	MGAFYZATYGWYMW-SFQUDFHCSA-N	-1	0	454.504	2.859	40	10		JFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(N4CCCC4)cc3OC)C2=O)cc1	ZINC000409108988	570131392	/nfs/dbraw/zinc/13/13/92/570131392.db2.gz	ZGSWVVCYAHDTRO-LDADJPATSA-N	-1	0	451.479	2.979	40	10		JFCBRM
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OCC(N)=O)C1=O	ZINC000409219202	570173794	/nfs/dbraw/zinc/17/37/94/570173794.db2.gz	NZXCYYHVCXIVJU-VGOFMYFVSA-N	-1	0	492.713	2.941	40	10		JFCBRM
Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2Br)cc1	ZINC000409222723	570174939	/nfs/dbraw/zinc/17/49/39/570174939.db2.gz	DROQLEWUGMYYMG-UHFFFAOYSA-N	-1	0	458.268	2.524	40	10		JFCBRM
CCCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(N)=O)c(Cl)c3)C2=O)cc1OC	ZINC000409224278	570175552	/nfs/dbraw/zinc/17/55/52/570175552.db2.gz	JREMGHLSRXEYEN-OQLLNIDSSA-N	-1	0	487.896	2.668	40	10		JFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(N)=O	ZINC000409225441	570175850	/nfs/dbraw/zinc/17/58/50/570175850.db2.gz	PTIZKXHDBIGVQN-NTUHNPAUSA-N	-1	0	478.288	2.923	40	10		JFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCC(=O)Nc1ccccc1C	ZINC000409247149	570184668	/nfs/dbraw/zinc/18/46/68/570184668.db2.gz	BKAJYMGJUDWBNA-UHFFFAOYSA-N	-1	0	488.294	2.533	40	10		JFCBRM
CCN(CC)c1cc2c(cc1NC=C1C(=O)[N-]C(=O)N(c3cccc(C)c3)C1=O)n(C)c(=O)n2C	ZINC000408528333	570186657	/nfs/dbraw/zinc/18/66/57/570186657.db2.gz	FTOAQWGERXAEIG-SAPNQHFASA-N	-1	0	476.537	2.610	40	10		JFCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CCCC3)C2=O)cc1	ZINC000408529166	570187073	/nfs/dbraw/zinc/18/70/73/570187073.db2.gz	HDSMUTIUSBHRQC-DTQAZKPQSA-N	-1	0	476.493	2.846	40	10		JFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	ZINC000409259257	570187369	/nfs/dbraw/zinc/18/73/69/570187369.db2.gz	XTTGNMXOCBAMSV-UHFFFAOYSA-N	-1	0	457.870	2.732	40	10		JFCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3cc4c(cc3N3CCCC3)n(C)c(=O)n4C)C2=O)c1C	ZINC000408532086	570188376	/nfs/dbraw/zinc/18/83/76/570188376.db2.gz	LWYZBUFQOLGEFK-VKAVYKQESA-N	-1	0	488.548	2.673	40	10		JFCBRM
O=C(N/C=C1\C(=O)[N-]C(=O)N(CCc2ccccc2)C1=O)Nc1ccc(Br)cc1	ZINC000408532260	570188528	/nfs/dbraw/zinc/18/85/28/570188528.db2.gz	QBYUKEZFBPPJQT-FOWTUZBSSA-N	-1	0	457.284	2.776	40	10		JFCBRM
COc1ccc(N2C(=O)/C(=C3\c4ccccc4N(CC(=O)[O-])C3=O)SC2=S)c(OC)c1	ZINC000008821637	554710221	/nfs/dbraw/zinc/71/02/21/554710221.db2.gz	WJVBKHDPJSHVKZ-ZCXUNETKSA-N	-1	0	456.501	2.911	40	10		JFCBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\NN1C(=O)c2ccc3c4c(ccc(c42)C1=O)CC3	ZINC000013590383	555524828	/nfs/dbraw/zinc/52/48/28/555524828.db2.gz	DYGMGNQZWPQYBI-WQRHYEAKSA-N	-1	0	486.871	2.859	40	10		JFCBRM
COC(=O)[C@@H](C)Oc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-]	ZINC000035104040	569674886	/nfs/dbraw/zinc/67/48/86/569674886.db2.gz	VRTCDHGBVLHLAA-PDICVPPASA-N	-1	0	490.266	2.759	40	10		JFCBRM
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c(Cl)c1OCC(N)=O	ZINC000107914382	569857904	/nfs/dbraw/zinc/85/79/04/569857904.db2.gz	PQQAQJIUDBPCBT-JYRVWZFOSA-N	-1	0	494.729	2.827	40	10		JFCBRM
NC(=O)COc1c(Br)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Br	ZINC000108101597	569858592	/nfs/dbraw/zinc/85/85/92/569858592.db2.gz	VZDWYZLVBHQASZ-SDQBBNPISA-N	-1	0	495.127	2.537	40	10		JFCBRM
CCOC(=O)COc1c(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)cc1OC	ZINC000108945300	569859949	/nfs/dbraw/zinc/85/99/49/569859949.db2.gz	UTJKGXYOIMQCSE-MHWRWJLKSA-N	-1	0	475.295	2.861	40	10		JFCBRM
O=C(Nc1nnc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)cc2)s1)c1ccc(Cl)cc1	ZINC000224265259	569938538	/nfs/dbraw/zinc/93/85/38/569938538.db2.gz	LOSZIAFUCYYVKO-UHFFFAOYSA-N	-1	0	493.998	2.759	40	10		JFCBRM
CCOC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1Br	ZINC000408692428	570015423	/nfs/dbraw/zinc/01/54/23/570015423.db2.gz	MGJFYENRMNOFMQ-NTEUORMPSA-N	-1	0	465.300	2.795	40	10		JFCBRM
CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1OC	ZINC000408692890	570015668	/nfs/dbraw/zinc/01/56/68/570015668.db2.gz	XRCGEKAIZHOUSF-RIYZIHGNSA-N	-1	0	450.875	2.695	40	10		JFCBRM
CC1CCN(c2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2C=C2C(=O)[N-]C(=O)NC2=O)CC1	ZINC000408719928	570026325	/nfs/dbraw/zinc/02/63/25/570026325.db2.gz	SVGZGCOXBFXSDH-UHFFFAOYSA-N	-1	0	455.515	2.817	40	10		JFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)cc(OC)c3)C2=O)cc1	ZINC000408882054	570063112	/nfs/dbraw/zinc/06/31/12/570063112.db2.gz	OXMMFRZNEYJELU-CXUHLZMHSA-N	-1	0	478.242	2.975	40	10		JFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1O	ZINC000408935294	570081286	/nfs/dbraw/zinc/08/12/86/570081286.db2.gz	CNQXEIUPRCRNST-WUXMJOGZSA-N	-1	0	462.212	2.738	40	10		JFCBRM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(I)cc1	ZINC000408947273	570083645	/nfs/dbraw/zinc/08/36/45/570083645.db2.gz	BOLSUZOEZZXLJF-NTUHNPAUSA-N	-1	0	462.199	2.686	40	10		JFCBRM
Cc1ccccc1N1C(=O)/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)C(=O)[N-]C1=S	ZINC000408962113	570086222	/nfs/dbraw/zinc/08/62/22/570086222.db2.gz	PZLKRQWKNSHBPU-XSFVSMFZSA-N	-1	0	488.569	2.640	40	10		JFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(I)c3)C2=O)cc1	ZINC000408963057	570086584	/nfs/dbraw/zinc/08/65/84/570086584.db2.gz	MAJKHRINKWHTSG-MDWZMJQESA-N	-1	0	464.215	2.672	40	10		JFCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(O)cc3O)C2=O)cc1	ZINC000408986856	570092610	/nfs/dbraw/zinc/09/26/10/570092610.db2.gz	NLCBBZSBCFYYDY-QPEQYQDCSA-N	-1	0	478.242	2.931	40	10		JFCBRM
O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccccc2)c1	ZINC000409073064	570119058	/nfs/dbraw/zinc/11/90/58/570119058.db2.gz	OPTWDABBRQUHSD-ZHZULCJRSA-N	-1	0	464.455	2.826	40	10		JFCBRM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(N)=O	ZINC000409223956	570175436	/nfs/dbraw/zinc/17/54/36/570175436.db2.gz	HWOQFRRBBMBZLC-MKMNVTDBSA-N	-1	0	478.288	2.923	40	10		JFCBRM
CCOc1c(I)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccnc3)C2=O)cc1OC	ZINC000409234716	570179187	/nfs/dbraw/zinc/17/91/87/570179187.db2.gz	XPKOZAIENBHVCR-QPEQYQDCSA-N	-1	0	493.257	2.760	40	10		JFCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3cc4c(cc3Br)n(C)c(=O)n4C)C2=O)c1C	ZINC000408528238	570186666	/nfs/dbraw/zinc/18/66/66/570186666.db2.gz	FQJGARQHGAZEFL-RAXLEYEMSA-N	-1	0	498.337	2.835	40	10		JFCBRM
Cc1ccc(NC(=O)COc2ccc(Br)cc2C=C2C(=O)[N-]C(=O)NC2=O)cc1C	ZINC000409268784	570188997	/nfs/dbraw/zinc/18/89/97/570188997.db2.gz	AJUWMUWIMJTEEJ-UHFFFAOYSA-N	-1	0	472.295	2.833	40	10		JFCBRM
CCc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)n(C)c(=O)n3C)C1=O	ZINC000408537111	570190655	/nfs/dbraw/zinc/19/06/55/570190655.db2.gz	ZEMAYQXYUYQNLR-RVDMUPIBSA-N	-1	0	498.337	2.781	40	10		JFCBRM
Nc1c(Br)cc(Br)c2c1C(=O)c1c(cccc1S(=O)(=O)[O-])C2=O	ZINC000004365829	194388255	/nfs/dbraw/zinc/38/82/55/194388255.db2.gz	DXZPYQPJOJTKPU-UHFFFAOYSA-N	-1	0	461.087	2.816	40	10		JFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)cc1C	ZINC000009259870	524926943	/nfs/dbraw/zinc/92/69/43/524926943.db2.gz	LMUBYQFNJOAYPX-HMAPJEAMSA-N	-1	0	486.528	2.783	40	10		JFCBRM
COc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1OCC(=O)Nc1ccccc1	ZINC000009310552	555086479	/nfs/dbraw/zinc/08/64/79/555086479.db2.gz	NJGOVQSIGUTPDI-LICLKQGHSA-N	-1	0	458.517	2.999	40	10		JFCBRM
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(Br)cc1OCC(=O)OC	ZINC000033571001	569628052	/nfs/dbraw/zinc/62/80/52/569628052.db2.gz	MTNSXBJYSCDRSF-DHDCSXOGSA-N	-1	0	475.295	2.861	40	10		JFCBRM
NC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21	ZINC000108985866	569860187	/nfs/dbraw/zinc/86/01/87/569860187.db2.gz	OXMKCKLGQCUWHP-CXUHLZMHSA-N	-1	0	483.347	2.720	40	10		JFCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccc(I)cc1	ZINC000408768481	570038430	/nfs/dbraw/zinc/03/84/30/570038430.db2.gz	XBYBLQZNQBNDOQ-UHFFFAOYSA-N	-1	0	478.242	2.628	40	10		JFCBRM
CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(Br)c3)C2=O)cc1	ZINC000408891279	570065693	/nfs/dbraw/zinc/06/56/93/570065693.db2.gz	OALIJYGAJNOLRQ-NTEUORMPSA-N	-1	0	459.252	2.998	40	10		JFCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	ZINC000408965942	570087410	/nfs/dbraw/zinc/08/74/10/570087410.db2.gz	KJNVSVKHQBAWBT-FYJGNVAPSA-N	-1	0	494.598	2.881	40	10		JFCBRM
CCOC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)cc1OCC	ZINC000408993962	570094962	/nfs/dbraw/zinc/09/49/62/570094962.db2.gz	XSCFSPLNZJTVNG-LDADJPATSA-N	-1	0	484.530	2.867	40	10		JFCBRM
O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1	ZINC000409063892	570115614	/nfs/dbraw/zinc/11/56/14/570115614.db2.gz	ANCHAOYAEHVMBX-XSFVSMFZSA-N	-1	0	464.455	2.826	40	10		JFCBRM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	ZINC000409065557	570116217	/nfs/dbraw/zinc/11/62/17/570116217.db2.gz	TXQIOFZWQPASDB-UHFFFAOYSA-N	-1	0	485.301	2.909	40	10		JFCBRM
COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)C(=O)[N-]C2=S)c(OC)c1	ZINC000409095983	570126635	/nfs/dbraw/zinc/12/66/35/570126635.db2.gz	FCYMGNOANSZYKJ-RIYZIHGNSA-N	-1	0	458.492	2.561	40	10		JFCBRM
CCOc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)C(=O)[N-]C2=S)cc1	ZINC000409127168	570138573	/nfs/dbraw/zinc/13/85/73/570138573.db2.gz	GTJQAEOGZZXKPB-QGOAFFKASA-N	-1	0	455.511	2.892	40	10		JFCBRM
NC(=O)COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O	ZINC000409220055	570174064	/nfs/dbraw/zinc/17/40/64/570174064.db2.gz	TWLNWFPNDZKRHN-KGENOOAVSA-N	-1	0	471.469	2.796	40	10		JFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OCC(N)=O)C2=O)cc1C	ZINC000409221792	570174702	/nfs/dbraw/zinc/17/47/02/570174702.db2.gz	AMGBGBCIEWRDNC-CXUHLZMHSA-N	-1	0	472.295	2.596	40	10		JFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(N)=O)c(Cl)c3)C2=O)cc1	ZINC000409223668	570175235	/nfs/dbraw/zinc/17/52/35/570175235.db2.gz	JEIJBVGYFIQJDO-AWNIVKPZSA-N	-1	0	464.261	2.533	40	10		JFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(N)=O)c(Br)c3)C2=O)cc1Cl	ZINC000409227254	570176156	/nfs/dbraw/zinc/17/61/56/570176156.db2.gz	YPILDCCWMYSFIB-AWNIVKPZSA-N	-1	0	492.713	2.941	40	10		JFCBRM
CCc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2OC)C(=O)[N-]C1=S	ZINC000409246421	570184347	/nfs/dbraw/zinc/18/43/47/570184347.db2.gz	IEORBFNSHQYRMR-XMHGGMMESA-N	-1	0	451.548	2.926	40	10		JFCBRM
Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2Br)c1C	ZINC000409260230	570187327	/nfs/dbraw/zinc/18/73/27/570187327.db2.gz	NBIKYJLJRGXUBG-UHFFFAOYSA-N	-1	0	472.295	2.833	40	10		JFCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cc3c(cc2Br)n(C)c(=O)n3C)C1=O	ZINC000408532947	570188815	/nfs/dbraw/zinc/18/88/15/570188815.db2.gz	NHGAUNKOHNZCLK-ACCUITESSA-N	-1	0	498.337	2.781	40	10		JFCBRM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cc3[nH]c(=O)[nH]c3cc2N2CCCCC2)C1=O	ZINC000408533414	570189116	/nfs/dbraw/zinc/18/91/16/570189116.db2.gz	SBVGXUFDTMBGML-BUHFOSPRSA-N	-1	0	476.493	2.846	40	10		JFCBRM
Cc1c(Br)ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc4c(c3)C(=O)NC4=O)C2=O)c1C	ZINC000408534244	570189346	/nfs/dbraw/zinc/18/93/46/570189346.db2.gz	PWAIJQJBVOCWIW-RIYZIHGNSA-N	-1	0	483.278	2.528	40	10		JFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3Br)C2=O)cc1	ZINC000408539371	570191176	/nfs/dbraw/zinc/19/11/76/570191176.db2.gz	WBOLOYBISSORTB-FLIBITNWSA-N	-1	0	456.256	2.918	40	10		JFCBRM
COc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc(I)c1OC	ZINC000409329150	570203287	/nfs/dbraw/zinc/20/32/87/570203287.db2.gz	DBRMVBXTLSCDLN-YHYXMXQVSA-N	-1	0	465.290	2.594	40	10		JFCBRM
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(O)c(OC)c3)C2=O)cc1	ZINC000001177614	522078588	/nfs/dbraw/zinc/07/85/88/522078588.db2.gz	UFBZABNKPBYCKS-QPEQYQDCSA-N	-1	0	475.251	2.616	40	10		JFCBRM
Cc1cccc(-n2c(O)c(C=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)c(=O)[nH]c2=O)c1	ZINC000016349888	524136162	/nfs/dbraw/zinc/13/61/62/524136162.db2.gz	HACIQUIAIOHEQM-XNTDXEJSSA-N	-1	0	466.837	2.700	40	10		JFCBRM
CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCCC(=O)[O-])C2=O)cc1OC	ZINC000008870146	554764706	/nfs/dbraw/zinc/76/47/06/554764706.db2.gz	BIXHAILYLBIXLZ-FOWTUZBSSA-N	-1	0	452.554	2.666	40	10		JFCBRM
COc1ccc(/C=C2\C(=O)[N-]N(c3ccc(I)cc3)C2=O)cc1[N+](=O)[O-]	ZINC000059475181	569604663	/nfs/dbraw/zinc/60/46/63/569604663.db2.gz	XGDUZTYFIGWNRN-MDWZMJQESA-N	-1	0	465.203	2.669	40	10		JFCBRM
COC(=O)[C@H](C)Oc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-]	ZINC000035104038	569674880	/nfs/dbraw/zinc/67/48/80/569674880.db2.gz	VRTCDHGBVLHLAA-GPILYODUSA-N	-1	0	490.266	2.759	40	10		JFCBRM
Cc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1cccc(I)c1	ZINC000408597678	569967485	/nfs/dbraw/zinc/96/74/85/569967485.db2.gz	VTELOFXLAVRKFX-VIZOYTHASA-N	-1	0	465.247	2.676	40	10		JFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(I)c1OC	ZINC000408740536	570031934	/nfs/dbraw/zinc/03/19/34/570031934.db2.gz	LJEFNXVOPZVFGB-MDWZMJQESA-N	-1	0	478.242	2.975	40	10		JFCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(N4CCOCC4)o3)C2=O)c1	ZINC000408855852	570056514	/nfs/dbraw/zinc/05/65/14/570056514.db2.gz	ONIPWEYGDQKDSL-XNTDXEJSSA-N	-1	0	460.284	2.854	40	10		JFCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(C(N)=O)cc1	ZINC000408957075	570085174	/nfs/dbraw/zinc/08/51/74/570085174.db2.gz	ZYXDBPVZDIEDQE-VXLYETTFSA-N	-1	0	472.457	2.588	40	10		JFCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)C2=O)cc1	ZINC000408965528	570087213	/nfs/dbraw/zinc/08/72/13/570087213.db2.gz	IGZJWMAKFHVXIC-HYARGMPZSA-N	-1	0	492.557	2.970	40	10		JFCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	ZINC000408968225	570088210	/nfs/dbraw/zinc/08/82/10/570088210.db2.gz	XIYFVNJERHIBDS-FYJGNVAPSA-N	-1	0	494.598	2.881	40	10		JFCBRM
O=C1[N-]C(=O)C(=Cc2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1	ZINC000409087358	570123633	/nfs/dbraw/zinc/12/36/33/570123633.db2.gz	YLMZSRGRLCMERA-UHFFFAOYSA-N	-1	0	477.183	2.807	40	10		JFCBRM
COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3OC)C(=O)[N-]C2=S)c(OC)c1	ZINC000409091056	570124840	/nfs/dbraw/zinc/12/48/40/570124840.db2.gz	SPGFBROCMWQAPM-RIYZIHGNSA-N	-1	0	458.492	2.561	40	10		JFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(N4CCCC4)cc3OC)C2=O)c(OC)c1	ZINC000409105770	570130120	/nfs/dbraw/zinc/13/01/20/570130120.db2.gz	ONHWSQDCYWRAOS-GZTJUZNOSA-N	-1	0	481.505	2.988	40	10		JFCBRM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(N)=O	ZINC000409226570	570176044	/nfs/dbraw/zinc/17/60/44/570176044.db2.gz	UXXKSBMUEHWSDJ-WLRTZDKTSA-N	-1	0	464.261	2.533	40	10		JFCBRM
COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(C)c2C)C1=O	ZINC000409240356	570181670	/nfs/dbraw/zinc/18/16/70/570181670.db2.gz	GUJBMKWQSGRRDR-CPNJWEJPSA-N	-1	0	451.548	2.980	40	10		JFCBRM
Cc1cccc(NC(=O)COc2ccc(Br)cc2C=C2C(=O)[N-]C(=O)NC2=O)c1C	ZINC000409254695	570186601	/nfs/dbraw/zinc/18/66/01/570186601.db2.gz	ZXZHYCBRSNPNEL-UHFFFAOYSA-N	-1	0	472.295	2.833	40	10		JFCBRM
Cc1ccc(NC(=O)COc2ccc(Br)cc2C=C2C(=O)[N-]C(=O)NC2=O)c(C)c1	ZINC000409259761	570187427	/nfs/dbraw/zinc/18/74/27/570187427.db2.gz	DYCRJQDARRCYLP-UHFFFAOYSA-N	-1	0	472.295	2.833	40	10		JFCBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNNc2ccc(I)cc2)C1=O	ZINC000408531741	570188284	/nfs/dbraw/zinc/18/82/84/570188284.db2.gz	LJRITQAHEWUVTR-GXDHUFHOSA-N	-1	0	462.247	2.683	40	10		JFCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cc3c(cc2N(CC)CC)n(C)c(=O)n3C)C1=O	ZINC000408532841	570188637	/nfs/dbraw/zinc/18/86/37/570188637.db2.gz	RFAYYAYCXPHEMN-BMRADRMJSA-N	-1	0	490.564	2.864	40	10		JFCBRM
O=C(COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Br)Nc1ccccc1Cl	ZINC000409271762	570189268	/nfs/dbraw/zinc/18/92/68/570189268.db2.gz	MTTQRRRVTAMVBO-UHFFFAOYSA-N	-1	0	478.686	2.869	40	10		JFCBRM
CCn1c2cc(NC=C3C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)c([N+](=O)[O-])cc2n(CC)c1=O	ZINC000408535498	570190028	/nfs/dbraw/zinc/19/00/28/570190028.db2.gz	SWXNHTSPEUURCJ-FOWTUZBSSA-N	-1	0	492.492	2.947	40	10		JFCBRM
CCN(CC)c1cc2c(cc1NC=C1C(=O)[N-]C(=O)N(c3ccccc3C)C1=O)n(C)c(=O)n2C	ZINC000408535647	570190049	/nfs/dbraw/zinc/19/00/49/570190049.db2.gz	UCSPPHFIWVUWQC-JQIJEIRASA-N	-1	0	476.537	2.610	40	10		JFCBRM
O=c1[nH]c2cc(NC=C3C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)c(N3CCCCC3)cc2[nH]1	ZINC000408536713	570190623	/nfs/dbraw/zinc/19/06/23/570190623.db2.gz	XNYXLZWAHFZMAV-BMRADRMJSA-N	-1	0	474.521	2.876	40	10		JFCBRM