smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccc(/N=C/c2cc(Cl)ccc2O)cc1-c1nc2ccccc2o1	ZINC000000728269	206132145	/nfs/dbraw/zinc/13/21/45/206132145.db2.gz	ICWJHTPPEZCEST-SSDVNMTOSA-N	-1	0	364.788	5.310	40	30		FKEBRM
CC(C)(C)c1ccc(O)c(/N=C/c2ccc(-c3cccc(Cl)c3)o2)c1	ZINC000000826569	206133965	/nfs/dbraw/zinc/13/39/65/206133965.db2.gz	KZBMZXAHZGTLCM-YDZHTSKRSA-N	-1	0	353.849	6.354	40	30		FKEBRM
Cc1cc(/C=N/c2ccc(O)cc2)c(C)n1-c1ccc(Br)cc1	ZINC000000829442	571166416	/nfs/dbraw/zinc/16/64/16/571166416.db2.gz	WXERVCMPESLFEG-CIAFOILYSA-N	-1	0	369.262	5.313	40	30		FKEBRM
Cc1cc(/C=N/c2cccc(C(=O)[O-])c2)c(C)n1-c1ccc(Cl)cc1	ZINC000000845841	570762427	/nfs/dbraw/zinc/76/24/27/570762427.db2.gz	IHRAMUYZTRSUGO-WSDLNYQXSA-N	-1	0	352.821	5.196	40	30		FKEBRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\c1ccc(Oc2ccccc2)cc1	ZINC000001045627	570476416	/nfs/dbraw/zinc/47/64/16/570476416.db2.gz	VFBZHXCHFOZMAM-UUYOSTAYSA-N	-1	0	358.224	6.242	40	30		FKEBRM
Cc1cccc2oc(-c3cc(/N=C/c4cccc([N+](=O)[O-])c4)ccc3[O-])nc21	ZINC000001055763	219360838	/nfs/dbraw/zinc/36/08/38/219360838.db2.gz	XCIPODAHFOMHCU-WSDLNYQXSA-N	-1	0	373.368	5.168	40	30		FKEBRM
CC(C)(C)c1cc(Cl)c([O-])c(/N=C/c2c(O)ccc3ccccc32)c1	ZINC000001496904	204011081	/nfs/dbraw/zinc/01/10/81/204011081.db2.gz	PTXKHNKHEPOSOT-FSJBWODESA-N	-1	0	353.849	5.953	40	30		FKEBRM
C=C(C)[C@H]1CCC(C)=C[C@@H]1c1c(O)cc(CCCCC)c(C(=O)[O-])c1O	ZINC000001531956	219410470	/nfs/dbraw/zinc/41/04/70/219410470.db2.gz	WVOLTBSCXRRQFR-SJORKVTESA-N	-1	0	358.478	5.545	40	30	biogenic,in-vitro	FKEBRM
CCCCCCCCCCC=C1C(=O)C(=O)C(Br)=C([O-])C1O	ZINC000001590625	519986372	/nfs/dbraw/zinc/98/63/72/519986372.db2.gz	WHZUIPQQEGKQGN-UHFFFAOYSA-N	-1	0	373.287	5.036	40	30		FKEBRM
N#C[C@@H](CC(=O)[O-])C(c1cccc2ccccc21)c1cccc2ccccc21	ZINC000001673202	210366151	/nfs/dbraw/zinc/36/61/51/210366151.db2.gz	HASWXXKOZIUWRM-LJQANCHMSA-N	-1	0	365.432	5.739	40	30		FKEBRM
CCCCCCCSC(=S)[N-]C1c2ccccc2Oc2ccccc21	ZINC000001865409	570508949	/nfs/dbraw/zinc/50/89/49/570508949.db2.gz	LEBAAPNAMXIIOR-UHFFFAOYSA-N	-1	0	371.571	6.460	40	30		FKEBRM
N#C[C@H](CC(=O)[O-])C(c1cccc2ccccc21)c1cccc2ccccc21	ZINC000002037085	570511835	/nfs/dbraw/zinc/51/18/35/570511835.db2.gz	HASWXXKOZIUWRM-IBGZPJMESA-N	-1	0	365.432	5.739	40	30		FKEBRM
S=c1[n-]nc(C2CCCCC2)n1N=Cc1c(Cl)cccc1Cl	ZINC000002276361	571294656	/nfs/dbraw/zinc/29/46/56/571294656.db2.gz	JSYAVMINBADQCO-NVMNQCDNSA-N	-1	0	355.294	5.177	40	30		FKEBRM
S=c1[n-]nc(-c2ccccc2)n1N=Cc1ccc(-c2ccccc2)cc1	ZINC000002318560	570644202	/nfs/dbraw/zinc/64/42/02/570644202.db2.gz	BYBFQULBCNZFSR-JCMHNJIXSA-N	-1	0	356.454	5.157	40	30		FKEBRM
Cc1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(C(C)(C)C)cc2)cc1	ZINC000002324736	204033939	/nfs/dbraw/zinc/03/39/39/204033939.db2.gz	AVZNIVXABVXAMP-BKUYFWCQSA-N	-1	0	350.491	5.096	40	30		FKEBRM
S=c1[n-]nc(C2CCCCC2)n1N=Cc1ccc(Cl)cc1Cl	ZINC000002330668	204034183	/nfs/dbraw/zinc/03/41/83/204034183.db2.gz	AJOFRXAPINPAFG-NVMNQCDNSA-N	-1	0	355.294	5.177	40	30		FKEBRM
CCCCCOc1ccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)cc1	ZINC000002334482	520250480	/nfs/dbraw/zinc/25/04/80/520250480.db2.gz	LFCILKXAGDEZHB-QNGOZBTKSA-N	-1	0	372.538	5.440	40	30		FKEBRM
COc1ccc2ccccc2c1C=Nn1c(=S)[n-]nc1C1CCCCC1	ZINC000002341911	210392297	/nfs/dbraw/zinc/39/22/97/210392297.db2.gz	OFJSCIWFAANHAS-BKUYFWCQSA-N	-1	0	366.490	5.032	40	30		FKEBRM
S=c1[n-]nc(C2CCCCC2)n1N=Cc1cccc(Cl)c1Cl	ZINC000002343293	204035801	/nfs/dbraw/zinc/03/58/01/204035801.db2.gz	SZFWPEKKTTXLRA-NVMNQCDNSA-N	-1	0	355.294	5.177	40	30		FKEBRM
CCc1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(C(C)(C)C)cc2)cc1	ZINC000002349009	570643957	/nfs/dbraw/zinc/64/39/57/570643957.db2.gz	VUNSXAZHCZDXPE-HMAPJEAMSA-N	-1	0	364.518	5.350	40	30		FKEBRM
CN(C)c1ccc(/C=N/c2ccc([O-])c(-c3nc4ccccc4o3)c2)cc1	ZINC000003029202	571343770	/nfs/dbraw/zinc/34/37/70/571343770.db2.gz	HXIKJHGJGDMBGE-OEAKJJBVSA-N	-1	0	357.413	5.017	40	30		FKEBRM
Cc1cc2sc(/N=C/c3cc(Cl)cc(Cl)c3[O-])nc2c(C)c1	ZINC000003044447	571343999	/nfs/dbraw/zinc/34/39/99/571343999.db2.gz	SMRVJWDCCHZTAP-FBCYGCLPSA-N	-1	0	351.258	5.676	40	30		FKEBRM
Cc1ccc2oc(-c3cc(/N=C/c4cc(C)ccc4O)ccc3[O-])nc2c1	ZINC000003049855	204076215	/nfs/dbraw/zinc/07/62/15/204076215.db2.gz	QXKYZORXPOJUTK-FSJBWODESA-N	-1	0	358.397	5.273	40	30		FKEBRM
CCC[C@@H](C)c1ccc(O)c(/N=C/c2cc(Cl)cc(Cl)c2[O-])c1	ZINC000003066556	520676124	/nfs/dbraw/zinc/67/61/24/520676124.db2.gz	XXTBYJVNEXMVPM-OHBSIKEHSA-N	-1	0	352.261	6.059	40	30		FKEBRM
CCC[C@H](C)c1ccc(O)c(/N=C/c2cc(Cl)cc(Cl)c2[O-])c1	ZINC000003066558	521071146	/nfs/dbraw/zinc/07/11/46/521071146.db2.gz	XXTBYJVNEXMVPM-JYQBEENSSA-N	-1	0	352.261	6.059	40	30		FKEBRM
O=C([O-])c1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	ZINC000003081472	210080345	/nfs/dbraw/zinc/08/03/45/210080345.db2.gz	VCGBGNGJKNCNOW-YDZHTSKRSA-N	-1	0	365.816	5.368	40	30		FKEBRM
Cc1cc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c([O-])c([N+](=O)[O-])c1	ZINC000003184639	206159690	/nfs/dbraw/zinc/15/96/90/206159690.db2.gz	ZAHWRTBPYMPCLS-WSDLNYQXSA-N	-1	0	373.368	5.168	40	30		FKEBRM
O=C1C(=O)C(CCC[C@H]2CC[C@@H]3CCCC[C@@H]3C2)=C([O-])c2ccccc21	ZINC000004353330	204135005	/nfs/dbraw/zinc/13/50/05/204135005.db2.gz	AWYKAOYJOQIVKI-YESZJQIVSA-N	-1	0	352.474	5.655	40	30		FKEBRM
O=C1C(=O)C(CCC[C@H]2CC[C@H]3CCCC[C@@H]3C2)=C([O-])c2ccccc21	ZINC000004353331	570586605	/nfs/dbraw/zinc/58/66/05/570586605.db2.gz	AWYKAOYJOQIVKI-GVDBMIGSSA-N	-1	0	352.474	5.655	40	30		FKEBRM
O=C1C(=O)C(CCCC[C@H]2CC[C@@H]3CCCC[C@@H]3C2)=C([O-])c2ccccc21	ZINC000004552436	570774134	/nfs/dbraw/zinc/77/41/34/570774134.db2.gz	NCHVXENYWKKANN-OKZBNKHCSA-N	-1	0	366.501	6.045	40	30		FKEBRM
O=C1C(=O)C(CCCC[C@H]2CC[C@H]3CCCC[C@@H]3C2)=C([O-])c2ccccc21	ZINC000004552438	570774131	/nfs/dbraw/zinc/77/41/31/570774131.db2.gz	NCHVXENYWKKANN-RCCFBDPRSA-N	-1	0	366.501	6.045	40	30		FKEBRM
O=C1C(=O)C(CCC[C@H]2CCC[C@H]3CCCC[C@H]23)=C([O-])c2ccccc21	ZINC000004552448	570774073	/nfs/dbraw/zinc/77/40/73/570774073.db2.gz	NUUNXYJGPKCBLC-ZACQAIPSSA-N	-1	0	352.474	5.655	40	30		FKEBRM
O=C1C(=O)C(CCC[C@H]2CCC[C@@H]3CCCC[C@H]23)=C([O-])c2ccccc21	ZINC000004552450	570774115	/nfs/dbraw/zinc/77/41/15/570774115.db2.gz	NUUNXYJGPKCBLC-BBWFWOEESA-N	-1	0	352.474	5.655	40	30		FKEBRM
CCCCC[C@H](F)/C=C/[C@H]1CC/C(=N/O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000004617452	263335231	/nfs/dbraw/zinc/33/52/31/263335231.db2.gz	LQQORSBLZLAVKX-OMMWTFMSSA-N	-1	0	355.494	5.743	40	30		FKEBRM
Cc1ccc(SCCCCC2=C([O-])c3ccccc3C(=O)C2=O)cc1	ZINC000004633022	207034384	/nfs/dbraw/zinc/03/43/84/207034384.db2.gz	VVZIVIRFEXJLOT-UHFFFAOYSA-N	-1	0	352.455	5.149	40	30		FKEBRM
Cc1cccc(/C=N/c2ccc(-c3nc4ccccc4s3)c([O-])c2)c1O	ZINC000004713969	570670912	/nfs/dbraw/zinc/67/09/12/570670912.db2.gz	IQSRDZJHZKKRHE-WSDLNYQXSA-N	-1	0	360.438	5.434	40	30		FKEBRM
Cc1ccc2oc(-c3ccc(/N=C/c4cccc(C)c4O)cc3[O-])nc2c1	ZINC000004713974	570671133	/nfs/dbraw/zinc/67/11/33/570671133.db2.gz	PBYNLWUNIVCNQR-FSJBWODESA-N	-1	0	358.397	5.273	40	30		FKEBRM
CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)[O-])CCC[C@]4(C)[C@@H]2C[C@@H]1C[C@@H]3C#N	ZINC000004720797	263336324	/nfs/dbraw/zinc/33/63/24/263336324.db2.gz	FILZRTOLEMCSFG-DPTATKNSSA-N	-1	0	355.522	5.426	40	30		FKEBRM
CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)[O-])CCC[C@]4(C)[C@@H]2C[C@@H]1C[C@@H]3C#N	ZINC000004720798	263336313	/nfs/dbraw/zinc/33/63/13/263336313.db2.gz	FILZRTOLEMCSFG-OOBBILSLSA-N	-1	0	355.522	5.426	40	30		FKEBRM
Cc1cc(/C=N/c2ccc(Cl)c(C(=O)[O-])c2)c(C)n1-c1ccccc1	ZINC000004797816	206181149	/nfs/dbraw/zinc/18/11/49/206181149.db2.gz	PVHKFVGVEBIUKF-WSDLNYQXSA-N	-1	0	352.821	5.196	40	30		FKEBRM
O=C(/C=N/[O-])c1c(-c2ccccc2)[nH]c(-c2ccccc2)c1-c1ccccc1	ZINC000004962826	570614889	/nfs/dbraw/zinc/61/48/89/570614889.db2.gz	GFOPCAHBNNNKQR-PCLIKHOPSA-N	-1	0	366.420	5.658	40	30		FKEBRM
Cc1ccc(-c2nc3cc(/N=C/c4cccc([N+](=O)[O-])c4[O-])ccc3o2)cc1	ZINC000005005934	570675070	/nfs/dbraw/zinc/67/50/70/570675070.db2.gz	RSIBOWSCSSRNPL-WSDLNYQXSA-N	-1	0	373.368	5.168	40	30		FKEBRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\N=C1c2ccccc2-c2ccccc21	ZINC000005031742	570618739	/nfs/dbraw/zinc/61/87/39/570618739.db2.gz	UNJYHZMXRMJLJA-KSEXSDGBSA-N	-1	0	367.235	5.551	40	30		FKEBRM
Cc1ccccc1NN=Cc1c(C)c(Cl)c(C)c(Br)c1[O-]	ZINC000005343930	570624034	/nfs/dbraw/zinc/62/40/34/570624034.db2.gz	VYOFCIQNUCEVAN-UFWORHAWSA-N	-1	0	367.674	5.179	40	30		FKEBRM
Cc1ccc2oc(-c3cccc(/N=C/c4cccc([N+](=O)[O-])c4[O-])c3)nc2c1	ZINC000005364154	219673458	/nfs/dbraw/zinc/67/34/58/219673458.db2.gz	BVSYUZKLMRRKBI-WSDLNYQXSA-N	-1	0	373.368	5.168	40	30		FKEBRM
CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3c(c2)Cc2ccccc2-3)c1[O-]	ZINC000005463459	570627803	/nfs/dbraw/zinc/62/78/03/570627803.db2.gz	MEOHARIPWYPLET-YDZHTSKRSA-N	-1	0	374.396	5.021	40	30		FKEBRM
CCCC(=O)Nc1ccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000005501734	570628619	/nfs/dbraw/zinc/62/86/19/570628619.db2.gz	FFUBPVINAPCGBL-KEBDBYFISA-N	-1	0	351.233	5.188	40	30		FKEBRM
O=[N+]([O-])c1cccc(/C=N\c2cccc3c(-c4ccccc4)ccnc23)c1[O-]	ZINC000005672860	570633185	/nfs/dbraw/zinc/63/31/85/570633185.db2.gz	XEBWHJNFJTXTMC-OYKKKHCWSA-N	-1	0	369.380	5.266	40	30		FKEBRM
O=C(/C=C/c1cc(Cl)cc(Cl)c1[O-])c1ccc2c3c(cccc31)CC2	ZINC000005678288	207112191	/nfs/dbraw/zinc/11/21/91/207112191.db2.gz	GTFDYMKDMDZHEU-VQHVLOKHSA-N	-1	0	369.247	5.847	40	30		FKEBRM
CCCCC[C@@H](F)/C=C/[C@H]1CC/C(=N\O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000005792625	570679356	/nfs/dbraw/zinc/67/93/56/570679356.db2.gz	LQQORSBLZLAVKX-CGAXLLMCSA-N	-1	0	355.494	5.743	40	30		FKEBRM
CC(C)C(=O)Nc1cccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])c1	ZINC000005841333	204227196	/nfs/dbraw/zinc/22/71/96/204227196.db2.gz	BLQFKETXMVPTTK-AWQFTUOYSA-N	-1	0	351.233	5.044	40	30		FKEBRM
CCOc1cc(/C=N/c2sc3c(c2C#N)CCCC3)cc(Cl)c1[O-]	ZINC000006155355	571310208	/nfs/dbraw/zinc/31/02/08/571310208.db2.gz	GDGLTENKKKCUAM-UFFVCSGVSA-N	-1	0	360.866	5.007	40	30		FKEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc2c(c1)oc1ccccc12	ZINC000006232595	570643513	/nfs/dbraw/zinc/64/35/13/570643513.db2.gz	WFHSYSVUTHTHPD-ZVHZXABRSA-N	-1	0	367.408	5.536	40	30		FKEBRM
Cc1cc(/C=N/c2ccc(N3CCCCC3)c(Cl)c2)c([O-])c([N+](=O)[O-])c1	ZINC000006235804	570644056	/nfs/dbraw/zinc/64/40/56/570644056.db2.gz	IJUAZLBIFIXGFB-CIAFOILYSA-N	-1	0	373.840	5.003	40	30		FKEBRM
[O-]c1ccc(/N=C/c2cccc3ccccc23)cc1-c1nc2ccccc2o1	ZINC000006244074	207134923	/nfs/dbraw/zinc/13/49/23/207134923.db2.gz	QWGISOKJZQARAM-MFKUBSTISA-N	-1	0	364.404	6.104	40	30		FKEBRM
CCCCC(=O)Nc1cccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])c1	ZINC000006396808	568249203	/nfs/dbraw/zinc/24/92/03/568249203.db2.gz	JFGNMZJOVQUVBR-SRZZPIQSSA-N	-1	0	365.260	5.578	40	30		FKEBRM
COc1ccc(CSC(=S)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000006411227	524122001	/nfs/dbraw/zinc/12/20/01/524122001.db2.gz	VHFZKCGXWJYEDV-UHFFFAOYSA-N	-1	0	368.867	5.108	40	30		FKEBRM
COc1ccc(CSC(=S)[N-]c2ccccc2C(F)(F)F)cc1	ZINC000006411239	524121813	/nfs/dbraw/zinc/12/18/13/524121813.db2.gz	CQGKAXYNQWSEEK-UHFFFAOYSA-N	-1	0	357.422	5.565	40	30		FKEBRM
CSc1ccc([N-]C(=S)SCc2ccc(Cl)cc2)cc1Cl	ZINC000006425403	525950810	/nfs/dbraw/zinc/95/08/10/525950810.db2.gz	ZGZVPTGQXNMTOO-UHFFFAOYSA-N	-1	0	374.383	6.566	40	30		FKEBRM
Cc1cc([N-]C(=S)SCc2ccc3c(c2)OCO3)ccc1Cl	ZINC000006484565	526098952	/nfs/dbraw/zinc/09/89/52/526098952.db2.gz	FCHHNMMZWQDEIZ-UHFFFAOYSA-N	-1	0	351.880	5.228	40	30		FKEBRM
Cc1ccc([N-]C(=S)SCc2ccc(Cl)c(Cl)c2)cc1C	ZINC000006488085	525966773	/nfs/dbraw/zinc/96/67/73/525966773.db2.gz	HHZRVOYYHLMNDX-UHFFFAOYSA-N	-1	0	356.343	6.461	40	30		FKEBRM
[O-]c1c(Br)cc(Cl)cc1/C=N/C12CC3CC(CC(C3)C1)C2	ZINC000006505211	570783245	/nfs/dbraw/zinc/78/32/45/570783245.db2.gz	VUPYWIABSZWTDH-AWQFTUOYSA-N	-1	0	368.702	5.196	40	30		FKEBRM
[O-]c1c(Cl)cc(Br)cc1/C=N/C12CC3CC(CC(C3)C1)C2	ZINC000006505213	570783360	/nfs/dbraw/zinc/78/33/60/570783360.db2.gz	SNXXEHHZUDZDAK-AWQFTUOYSA-N	-1	0	368.702	5.196	40	30		FKEBRM
Fc1ccc([N-]C(=S)SCc2ccc(Cl)c(Cl)c2)c(F)c1	ZINC000006511351	570648461	/nfs/dbraw/zinc/64/84/61/570648461.db2.gz	ORPZEPBCHIIKHW-UHFFFAOYSA-N	-1	0	364.269	6.122	40	30		FKEBRM
FC(F)(F)c1ccc([N-]C(=S)SCc2ccc(Cl)cc2)cc1	ZINC000006512357	570648351	/nfs/dbraw/zinc/64/83/51/570648351.db2.gz	ZNTHYMJOSLLYEP-UHFFFAOYSA-N	-1	0	361.841	6.210	40	30		FKEBRM
CC[C@@H](C)c1ccccc1/N=C/c1cc(Cl)cc(Br)c1[O-]	ZINC000006554905	571310428	/nfs/dbraw/zinc/31/04/28/571310428.db2.gz	CTTZFMCHMAZLPR-JZOCJUILSA-N	-1	0	366.686	6.072	40	30		FKEBRM
CC[C@@H](C)c1ccccc1/N=C/c1cc(Br)cc(Cl)c1[O-]	ZINC000006554906	571310395	/nfs/dbraw/zinc/31/03/95/571310395.db2.gz	HTSQMUTZTNAENS-JZOCJUILSA-N	-1	0	366.686	6.072	40	30		FKEBRM
CC[C@H](C)c1ccccc1/N=C/c1cc(Cl)cc(Br)c1[O-]	ZINC000006555323	571310422	/nfs/dbraw/zinc/31/04/22/571310422.db2.gz	CTTZFMCHMAZLPR-KKBVUKDESA-N	-1	0	366.686	6.072	40	30		FKEBRM
CC[C@H](C)c1ccccc1/N=C/c1cc(Br)cc(Cl)c1[O-]	ZINC000006555324	571310337	/nfs/dbraw/zinc/31/03/37/571310337.db2.gz	HTSQMUTZTNAENS-KKBVUKDESA-N	-1	0	366.686	6.072	40	30		FKEBRM
Cc1ccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2[O-])cc1C	ZINC000006815068	204273638	/nfs/dbraw/zinc/27/36/38/204273638.db2.gz	XADLDXCGKINSQT-OEAKJJBVSA-N	-1	0	360.413	5.259	40	30		FKEBRM
CCCCCCCCCCCCCCc1ccc(S(=O)(=O)[O-])cc1	ZINC000008214638	520007415	/nfs/dbraw/zinc/00/74/15/520007415.db2.gz	IIMOXQJFSQSOMN-UHFFFAOYSA-N	-1	0	354.556	6.177	40	30		FKEBRM
O=C1C(=O)C(CCCc2ccc(C3CCCCC3)cc2)=C([O-])c2ccccc21	ZINC000008627321	204337846	/nfs/dbraw/zinc/33/78/46/204337846.db2.gz	XJQCCHCCGDHNTB-UHFFFAOYSA-N	-1	0	374.480	5.948	40	30		FKEBRM
O=C(C=C([O-])C(F)(F)F)c1ccc(OCc2ccccc2Cl)cc1	ZINC000008701281	206247040	/nfs/dbraw/zinc/24/70/40/206247040.db2.gz	KRJDVXITEUEROS-SXGWCWSVSA-N	-1	0	356.727	5.106	40	30		FKEBRM
CCc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)c(C#N)c(=O)[n-]2)cc1	ZINC000008816524	204345977	/nfs/dbraw/zinc/34/59/77/204345977.db2.gz	VIZSGKYZFHCAEV-UHFFFAOYSA-N	-1	0	369.251	5.450	40	30		FKEBRM
CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2Cl)cc1	ZINC000012466501	571322464	/nfs/dbraw/zinc/32/24/64/571322464.db2.gz	UWXXDBDQXBPYOG-MTJSOVHGSA-N	-1	0	370.909	5.441	40	30		FKEBRM
CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2cccc(Cl)c2)cc1	ZINC000012468271	571322458	/nfs/dbraw/zinc/32/24/58/571322458.db2.gz	LVTKSQJHLQNZRA-MTJSOVHGSA-N	-1	0	370.909	5.441	40	30		FKEBRM
C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000012493944	220001064	/nfs/dbraw/zinc/00/10/64/220001064.db2.gz	CREVIXFSUWYGRJ-IHMUCKAYSA-N	-1	0	370.533	5.411	40	30	endogenous,in-man	FKEBRM
CCCCC[C@H](F)/C=C/[C@H]1CC/C(=N\O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000012659452	206295836	/nfs/dbraw/zinc/29/58/36/206295836.db2.gz	LQQORSBLZLAVKX-MRLPVQEDSA-N	-1	0	355.494	5.743	40	30		FKEBRM
C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000013547274	220071847	/nfs/dbraw/zinc/07/18/47/220071847.db2.gz	WCFIGQHNBJXROP-IHMUCKAYSA-N	-1	0	372.549	5.635	40	30		FKEBRM
Cc1cc(/C=N/c2ccc([O-])c(Cl)c2)c(C)n1-c1cccc(Cl)c1	ZINC000015013617	571200872	/nfs/dbraw/zinc/20/08/72/571200872.db2.gz	RBGZUQSSGZPMLS-SSDVNMTOSA-N	-1	0	359.256	5.857	40	30		FKEBRM
CCc1ccc2oc(-c3cc(/N=C\c4cc(C)ccc4O)ccc3[O-])nc2c1	ZINC000015134330	524060670	/nfs/dbraw/zinc/06/06/70/524060670.db2.gz	BDVYLFFZXGJSKQ-CFRMEGHHSA-N	-1	0	372.424	5.527	40	30		FKEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N\c2cccc(Cl)c2Cl)o1	ZINC000015229000	571310514	/nfs/dbraw/zinc/31/05/14/571310514.db2.gz	BZQDRXSMOQIVMS-YVNNLAQVSA-N	-1	0	374.223	6.011	40	30		FKEBRM
O=C([O-])c1ccc(/N=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	ZINC000015229930	571310521	/nfs/dbraw/zinc/31/05/21/571310521.db2.gz	ILNDZSZMLOJPSY-FBHDLOMBSA-N	-1	0	360.196	5.702	40	30		FKEBRM
O=C(/C=C/c1ccccc1)c1c([O-])c2ccccc2c(O)c1-c1ccccc1	ZINC000015776430	211142666	/nfs/dbraw/zinc/14/26/66/211142666.db2.gz	YTPSAJWJJVHZHP-FOCLMDBBSA-N	-1	0	366.416	5.814	40	30		FKEBRM
Cc1ccc(Cl)cc1/N=C/c1cc(Cl)cc(Br)c1[O-]	ZINC000016347242	211158406	/nfs/dbraw/zinc/15/84/06/211158406.db2.gz	CZWKEMJDDFTMJU-CNHKJKLMSA-N	-1	0	359.050	5.521	40	30		FKEBRM
Cc1cc(/C=N\c2ccc(Cl)c(C(=O)[O-])c2)c(C)n1-c1cccc(C)c1	ZINC000016349895	570854759	/nfs/dbraw/zinc/85/47/59/570854759.db2.gz	XYNIOIXINQEADC-FMCGGJTJSA-N	-1	0	366.848	5.505	40	30		FKEBRM
O=[N+]([O-])c1ccccc1/N=C/c1cc(Cc2ccccc2)cc(Cl)c1[O-]	ZINC000016480946	211161236	/nfs/dbraw/zinc/16/12/36/211161236.db2.gz	OWVICMVRZNFUMO-LPYMAVHISA-N	-1	0	366.804	5.295	40	30		FKEBRM
[O-]c1c(Br)cc(Cl)cc1/C=N/c1cccc2ccccc21	ZINC000016526183	570858142	/nfs/dbraw/zinc/85/81/42/570858142.db2.gz	LSMFPHDACRGJJV-KEBDBYFISA-N	-1	0	360.638	5.712	40	30		FKEBRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/N=C1c2ccccc2-c2ccccc21	ZINC000016921033	220197427	/nfs/dbraw/zinc/19/74/27/220197427.db2.gz	UNJYHZMXRMJLJA-FOKLQQMPSA-N	-1	0	367.235	5.551	40	30		FKEBRM
O=[N+]([O-])C(N=Nc1ccc2ccccc2c1)=N[N-]c1ccc2ccccc2c1	ZINC000016927953	527318855	/nfs/dbraw/zinc/31/88/55/527318855.db2.gz	IQBINNRCPKWRDH-OJKLJAQXSA-N	-1	0	369.384	5.737	40	30		FKEBRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\c1cc(C(F)(F)F)ccc1Cl	ZINC000017125948	570869279	/nfs/dbraw/zinc/86/92/79/570869279.db2.gz	SXPLKOMMFMGVKK-MPUCSWFWSA-N	-1	0	368.569	6.122	40	30		FKEBRM
CC(C)(C)c1cc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)cc(C(C)(C)C)c1	ZINC000017175326	518990239	/nfs/dbraw/zinc/99/02/39/518990239.db2.gz	FOUVTBKPJRMLPE-XFXZXTDPSA-N	-1	0	364.485	5.876	40	30		FKEBRM
CCCC[C@@H](CC)CC[C@@H](CCC(CC)CC)OC(=O)/C(=N\[O-])C(C)=O	ZINC000017289689	204652944	/nfs/dbraw/zinc/65/29/44/204652944.db2.gz	QXURMVMQUSFRNL-XHXPFOKLSA-N	-1	0	369.546	5.530	40	30		FKEBRM
CCCC[C@H](CC)CC[C@@H](CCC(CC)CC)OC(=O)/C(=N\[O-])C(C)=O	ZINC000017289694	211183000	/nfs/dbraw/zinc/18/30/00/211183000.db2.gz	QXURMVMQUSFRNL-VOKXPGCHSA-N	-1	0	369.546	5.530	40	30		FKEBRM
O=[N+]([O-])C(N=Nc1ccc2ccccc2c1)=N[N-]c1ccc2ccccc2c1	ZINC000018191787	263373165	/nfs/dbraw/zinc/37/31/65/263373165.db2.gz	IQBINNRCPKWRDH-WQQFVFIJSA-N	-1	0	369.384	5.737	40	30		FKEBRM
C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)[O-])[C@H]1CC[C@@H](C)CCOC(C)=O	ZINC000031166040	263391275	/nfs/dbraw/zinc/39/12/75/263391275.db2.gz	AAPGEKMDLXBUBL-AEEUIGNNSA-N	-1	0	364.526	5.219	40	30	biogenic,in-vitro	FKEBRM
C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)[O-])[C@H]1CC[C@H](C)CCOC(C)=O	ZINC000031166044	263390907	/nfs/dbraw/zinc/39/09/07/263390907.db2.gz	AAPGEKMDLXBUBL-ZGNLYJAISA-N	-1	0	364.526	5.219	40	30	biogenic,in-vitro	FKEBRM
C=C1CC[C@H]2[C@](C)(CCC[C@]2(C)C(=O)[O-])[C@H]1CC[C@@H](C)CCOC(C)=O	ZINC000031166047	263390900	/nfs/dbraw/zinc/39/09/00/263390900.db2.gz	AAPGEKMDLXBUBL-BVMWXJQXSA-N	-1	0	364.526	5.219	40	30	biogenic,in-vitro	FKEBRM
C=C1CC[C@H]2[C@](C)(CCC[C@]2(C)C(=O)[O-])[C@H]1CC[C@H](C)CCOC(C)=O	ZINC000031166051	263391264	/nfs/dbraw/zinc/39/12/64/263391264.db2.gz	AAPGEKMDLXBUBL-GKYSZPLNSA-N	-1	0	364.526	5.219	40	30	biogenic,in-vitro	FKEBRM
O=C1c2ccccc2S/C1=C/c1cc(Cl)cc(Br)c1[O-]	ZINC000033339318	571084809	/nfs/dbraw/zinc/08/48/09/571084809.db2.gz	OMDDLFFHANHLIZ-AWNIVKPZSA-N	-1	0	367.651	5.138	40	30		FKEBRM
COc1cc(C)c(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1C(C)C	ZINC000033653569	571310575	/nfs/dbraw/zinc/31/05/75/571310575.db2.gz	RSYGIKOIMULKAT-COTUQWOHSA-N	-1	0	372.515	5.001	40	30		FKEBRM
Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc(N3CCCCC3)c(Cl)c2)c1[O-]	ZINC000035189662	132935124	/nfs/dbraw/zinc/93/51/24/132935124.db2.gz	HAEZVIADSYLZDY-CIAFOILYSA-N	-1	0	373.840	5.003	40	30		FKEBRM
CCCCCCOc1ccc(/N=C/c2ccc(C(=O)[O-])cc2)cc1Cl	ZINC000035586025	520106177	/nfs/dbraw/zinc/10/61/77/520106177.db2.gz	JCEVKUUCGFGIIJ-HYARGMPZSA-N	-1	0	359.853	5.748	40	30		FKEBRM
CCCCC[C@@H](F)/C=C/[C@H]1CC/C(=N/O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000036493709	210850450	/nfs/dbraw/zinc/85/04/50/210850450.db2.gz	LQQORSBLZLAVKX-HMXATDFOSA-N	-1	0	355.494	5.743	40	30		FKEBRM
CCCCCCCC/C=C\CCCCCCCc1cccc(O)c1C(=O)[O-]	ZINC000038143734	519971424	/nfs/dbraw/zinc/97/14/24/519971424.db2.gz	NRSDQEWAMHRTMK-KTKRTIGZSA-N	-1	0	374.565	7.280	40	30	biogenic,in-vitro	FKEBRM
CCCCn1c2ccccc2nc1/N=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000038162800	570993294	/nfs/dbraw/zinc/99/32/94/570993294.db2.gz	QAILIFPQCMHGLK-NHDPSOOVSA-N	-1	0	362.260	5.599	40	30		FKEBRM
O=C(C=C([O-])c1ccccc1)C=C(C=Cc1ccccc1)c1ccccc1	ZINC000043077025	527592222	/nfs/dbraw/zinc/59/22/22/527592222.db2.gz	CIHNUILUZTVQRS-PNUIMDNNSA-N	-1	0	352.433	5.626	40	30		FKEBRM
CCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)[O-]	ZINC000059066585	571277653	/nfs/dbraw/zinc/27/76/53/571277653.db2.gz	JZWLIRVAYJRWLN-QFIPXVFZSA-N	-1	0	370.618	7.254	40	30	in-vitro	FKEBRM
CCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)[O-]	ZINC000059066588	571277682	/nfs/dbraw/zinc/27/76/82/571277682.db2.gz	JZWLIRVAYJRWLN-JOCHJYFZSA-N	-1	0	370.618	7.254	40	30	in-vitro	FKEBRM
CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(C(=O)[O-])cc2)c1C	ZINC000059104358	571087001	/nfs/dbraw/zinc/08/70/01/571087001.db2.gz	KQWXKWZKBLQFTB-ZVHZXABRSA-N	-1	0	360.457	5.414	40	30		FKEBRM
O=C([O-])c1ccc(COc2ccccc2/C=N/c2cccc(Cl)c2)cc1	ZINC000059104831	571087125	/nfs/dbraw/zinc/08/71/25/571087125.db2.gz	XALMZBFBDZXVSI-YDZHTSKRSA-N	-1	0	365.816	5.368	40	30		FKEBRM
CC[C@@H](C)c1ccc(/N=C/c2ccc(-c3ccc(C)c(C(=O)[O-])c3)o2)cc1	ZINC000059104842	571087065	/nfs/dbraw/zinc/08/70/65/571087065.db2.gz	NLAOEEKYNBRYFI-LZCVXGSNSA-N	-1	0	361.441	6.217	40	30		FKEBRM
CC[C@H](C)c1ccc(/N=C/c2ccc(-c3ccc(C)c(C(=O)[O-])c3)o2)cc1	ZINC000059104843	571086934	/nfs/dbraw/zinc/08/69/34/571086934.db2.gz	NLAOEEKYNBRYFI-BGHCKBSUSA-N	-1	0	361.441	6.217	40	30		FKEBRM
CCc1ccc(/N=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)cc1	ZINC000059105133	263416668	/nfs/dbraw/zinc/41/66/68/263416668.db2.gz	WSJUHCWFTQQOKA-BUVRLJJBSA-N	-1	0	359.425	5.277	40	30		FKEBRM
CCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)[O-]	ZINC000059215793	520006135	/nfs/dbraw/zinc/00/61/35/520006135.db2.gz	ZBKXLLSGEYUWKS-UHFFFAOYSA-N	-1	0	362.510	6.243	40	30		FKEBRM
O=C([O-])COc1ccc(/C=N/c2ccc(C3CCCCC3)cc2)cc1Cl	ZINC000059248636	263417765	/nfs/dbraw/zinc/41/77/65/263417765.db2.gz	LBAMGCAACHQRGY-YDZHTSKRSA-N	-1	0	371.864	5.602	40	30		FKEBRM
Cc1cc(/C=N/c2ccc(C)cc2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000059248728	571088482	/nfs/dbraw/zinc/08/84/82/571088482.db2.gz	OKQPYDHDQSCYMT-FSJBWODESA-N	-1	0	366.848	5.505	40	30		FKEBRM
C[C@H](Oc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1)C(=O)[O-]	ZINC000059249413	571088946	/nfs/dbraw/zinc/08/89/46/571088946.db2.gz	PESXEHJVCSTMLU-PFRBSUFTSA-N	-1	0	360.413	5.033	40	30		FKEBRM
C[C@@H](Oc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1)C(=O)[O-]	ZINC000059249415	571088835	/nfs/dbraw/zinc/08/88/35/571088835.db2.gz	PESXEHJVCSTMLU-LGVXEURYSA-N	-1	0	360.413	5.033	40	30		FKEBRM
Cc1cc(/C=N/c2cccc(F)c2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000059249596	263417597	/nfs/dbraw/zinc/41/75/97/263417597.db2.gz	CBIRSPVWOKHWJT-FOKLQQMPSA-N	-1	0	370.811	5.335	40	30		FKEBRM
Cc1cc(/C=N/Cc2ccccc2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000059249958	571088955	/nfs/dbraw/zinc/08/89/55/571088955.db2.gz	NTBBJZSNEBOLTD-YDZHTSKRSA-N	-1	0	366.848	5.065	40	30		FKEBRM
CCCOc1ccc(C(F)(F)F)cc1/N=C/c1cccc(Cl)c1[O-]	ZINC000059475450	571091104	/nfs/dbraw/zinc/09/11/04/571091104.db2.gz	XLBCOARBXUEPOP-LSHDLFTRSA-N	-1	0	357.759	5.604	40	30		FKEBRM
Cc1cc2c(cc1C)CN(c1ccc(/C=N/c3ccccc3C(=O)[O-])cc1)C2	ZINC000059501486	263421087	/nfs/dbraw/zinc/42/10/87/263421087.db2.gz	USTWUEAPVNNJSP-DHRITJCHSA-N	-1	0	370.452	5.272	40	30		FKEBRM
Cc1cc2c(cc1C)CN(c1ccc(/C=N/c3ccc(C(=O)[O-])cc3)cc1)C2	ZINC000059501492	263421086	/nfs/dbraw/zinc/42/10/86/263421086.db2.gz	SJBURRNYJLJDST-DHRITJCHSA-N	-1	0	370.452	5.272	40	30		FKEBRM
CCCCCCCCCCc1ccc(/N=C/c2ccc(C(=O)[O-])cc2)cc1	ZINC000059663847	571135330	/nfs/dbraw/zinc/13/53/30/571135330.db2.gz	QJGRDHUHYGJWPZ-NCELDCMTSA-N	-1	0	365.517	6.819	40	30		FKEBRM
CCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)[O-])cc2)cc1	ZINC000059663865	571135347	/nfs/dbraw/zinc/13/53/47/571135347.db2.gz	QAIXCNXSDYZMTG-HAVVHWLPSA-N	-1	0	353.462	5.875	40	30		FKEBRM
CCCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)[O-])cc2)cc1	ZINC000059663871	221127030	/nfs/dbraw/zinc/12/70/30/221127030.db2.gz	HUJSEXYVGISURN-HKOYGPOVSA-N	-1	0	367.489	6.265	40	30		FKEBRM
CCCCCCCCOc1ccc(/C=N/c2ccc(C(=O)[O-])cc2)cc1	ZINC000059663901	205281336	/nfs/dbraw/zinc/28/13/36/205281336.db2.gz	LHJLTQUNCCWOQL-HAVVHWLPSA-N	-1	0	353.462	5.875	40	30		FKEBRM
CCCCCCCCCOc1ccc(/C=N/c2ccc(C(=O)[O-])cc2)cc1	ZINC000059663906	205281918	/nfs/dbraw/zinc/28/19/18/205281918.db2.gz	GNFGREUDLRMICJ-HKOYGPOVSA-N	-1	0	367.489	6.265	40	30		FKEBRM
CCCCCCCOc1ccc(/N=C/c2ccc(C(=O)[O-])cc2)c(C)c1	ZINC000059663951	212016439	/nfs/dbraw/zinc/01/64/39/212016439.db2.gz	VAOCDWZFPWKOPF-XQNSMLJCSA-N	-1	0	353.462	5.793	40	30		FKEBRM
CCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)[O-])cc2)c(C)c1	ZINC000059663954	571135365	/nfs/dbraw/zinc/13/53/65/571135365.db2.gz	DDMFFJFYNMZDGR-JJIBRWJFSA-N	-1	0	367.489	6.183	40	30		FKEBRM
CCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)[O-])cc2)cc1C	ZINC000059663976	520044066	/nfs/dbraw/zinc/04/40/66/520044066.db2.gz	ZMUVPRRXKSSRGK-JJIBRWJFSA-N	-1	0	367.489	6.183	40	30		FKEBRM
CCCCCCCOc1ccc(/N=C/c2ccc(C(=O)[O-])cc2)cc1Cl	ZINC000059664000	520064175	/nfs/dbraw/zinc/06/41/75/520064175.db2.gz	OPRBMJRRRLVEQJ-HZHRSRAPSA-N	-1	0	373.880	6.138	40	30		FKEBRM
C[C@H](Oc1ccc(/C=N/c2ccc(C3CCCCC3)cc2)cc1)C(=O)[O-]	ZINC000059678593	571092367	/nfs/dbraw/zinc/09/23/67/571092367.db2.gz	KLZQVDOONOQTGG-PFRBSUFTSA-N	-1	0	351.446	5.337	40	30		FKEBRM
C[C@@H](Oc1ccc(/C=N/c2ccc(C3CCCCC3)cc2)cc1)C(=O)[O-]	ZINC000059678595	571092194	/nfs/dbraw/zinc/09/21/94/571092194.db2.gz	KLZQVDOONOQTGG-LGVXEURYSA-N	-1	0	351.446	5.337	40	30		FKEBRM
O=C([O-])c1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1Cl	ZINC000059679354	571092425	/nfs/dbraw/zinc/09/24/25/571092425.db2.gz	SFCHIEJSRHFTEV-SRZZPIQSSA-N	-1	0	359.212	5.233	40	30		FKEBRM
CCCCCCCCCCCCCC(=O)N[C@@H](CCSC)C(=O)[O-]	ZINC000059766665	571135597	/nfs/dbraw/zinc/13/55/97/571135597.db2.gz	CLXADVHCSCRADU-KRWDZBQOSA-N	-1	0	359.576	5.010	40	30		FKEBRM
COC1=CC(=O)C(=O)C(C[C@@]2(C)[C@H](C)CC[C@]3(C)[C@@H]2CCCC3(C)C)=C1[O-]	ZINC000073311503	571200659	/nfs/dbraw/zinc/20/06/59/571200659.db2.gz	ZMWPUCGPHZVIMQ-LLMIVBOJSA-N	-1	0	374.521	5.140	40	30		FKEBRM
COC1=CC(=O)C(=O)C(C[C@]2(C)[C@H]3CCCC(C)(C)[C@]3(C)CC[C@@H]2C)=C1[O-]	ZINC000073311506	571200648	/nfs/dbraw/zinc/20/06/48/571200648.db2.gz	ZMWPUCGPHZVIMQ-KLLUNRAKSA-N	-1	0	374.521	5.140	40	30		FKEBRM
COC1=CC(=O)C(=O)C(C[C@@]2(C)[C@H](C)CC[C@@]3(C)[C@@H]2CCCC3(C)C)=C1[O-]	ZINC000073311509	571200517	/nfs/dbraw/zinc/20/05/17/571200517.db2.gz	ZMWPUCGPHZVIMQ-VLCIQMGPSA-N	-1	0	374.521	5.140	40	30		FKEBRM
COC1=CC(=O)C(=O)C(C[C@]2(C)[C@H]3CCCC(C)(C)[C@@]3(C)CC[C@@H]2C)=C1[O-]	ZINC000073311512	571200761	/nfs/dbraw/zinc/20/07/61/571200761.db2.gz	ZMWPUCGPHZVIMQ-XLIBOJQPSA-N	-1	0	374.521	5.140	40	30		FKEBRM
CCCCCCCCCCCCCC(=O)C=C([O-])c1c(O)cccc1O	ZINC000073330612	571200884	/nfs/dbraw/zinc/20/08/84/571200884.db2.gz	UXSXORUDTPCRAY-UHFFFAOYSA-N	-1	0	362.510	5.941	40	30		FKEBRM
CCCCCCCCCCCCCCCc1nc(SCC(=O)[O-])n[nH]1	ZINC000082150495	520005898	/nfs/dbraw/zinc/00/58/98/520005898.db2.gz	VYKAKOWLDHDDHV-UHFFFAOYSA-N	-1	0	369.575	5.615	40	30		FKEBRM
O=[N+]([O-])c1cc2oc3c(c2c(/C=N\c2ccccc2Cl)c1[O-])CCCC3	ZINC000083327396	205103903	/nfs/dbraw/zinc/10/39/03/205103903.db2.gz	UJVGLDBEFDFFRI-FBHDLOMBSA-N	-1	0	370.792	5.329	40	30		FKEBRM
CCCCCCCCCCCCCCCCCCOC(=O)/C=C\C(=O)[O-]	ZINC000085766618	571234045	/nfs/dbraw/zinc/23/40/45/571234045.db2.gz	MHQJUHSHQGQVTM-HNENSFHCSA-N	-1	0	368.558	6.432	40	30	endogenous,in-man	FKEBRM
CCCCCCCCCCCCCCCCCC(=O)N(C)CC(=O)[O-]	ZINC000086039279	571234282	/nfs/dbraw/zinc/23/42/82/571234282.db2.gz	RJYOKYDKKOFLBT-UHFFFAOYSA-N	-1	0	355.563	5.791	40	30		FKEBRM
CCCCCCCCCCCCCCCCC(Cl)(Cl)C(=O)[O-]	ZINC000095731156	570470922	/nfs/dbraw/zinc/47/09/22/570470922.db2.gz	GKGVPDQNHDBNDR-UHFFFAOYSA-N	-1	0	353.374	7.116	40	30		FKEBRM
Cc1ccc2oc(-c3cc(/N=C/c4cccc(C)c4O)ccc3[O-])nc2c1	ZINC000096429698	222119379	/nfs/dbraw/zinc/11/93/79/222119379.db2.gz	QSRMVSDWTPVTRO-FSJBWODESA-N	-1	0	358.397	5.273	40	30		FKEBRM
O=C1C(=O)C([C@H]2CC[C@H](c3ccc(Cl)cc3)CC2)=C([O-])c2ccccc21	ZINC000100017856	209208031	/nfs/dbraw/zinc/20/80/31/209208031.db2.gz	KUCQYCKVKVOKAY-OTVXOJSOSA-N	-1	0	366.844	5.505	40	30	fda	FKEBRM
CCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000100047442	209208972	/nfs/dbraw/zinc/20/89/72/209208972.db2.gz	OGLNTVZUARMGNY-FQEVSTJZSA-N	-1	0	355.563	5.693	40	30		FKEBRM
Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3ccc(C(=O)[O-])cc3)cc1)C2	ZINC000100102519	570759859	/nfs/dbraw/zinc/75/98/59/570759859.db2.gz	JKCWZLHSYXYWJV-DHRITJCHSA-N	-1	0	370.452	5.272	40	30		FKEBRM
CCCCCC/C=C/CCCCCCCCCc1cccc(O)c1C(=O)[O-]	ZINC000100291485	519943602	/nfs/dbraw/zinc/94/36/02/519943602.db2.gz	MBYNDKVOZOAOIS-BQYQJAHWSA-N	-1	0	374.565	7.280	40	30		FKEBRM
CCCCCCCCCCCCCCCCCC[C@H](NC(C)=O)C(=O)[O-]	ZINC000100307780	222240246	/nfs/dbraw/zinc/24/02/46/222240246.db2.gz	GYGGRXQCNOXQNG-NRFANRHFSA-N	-1	0	369.590	6.227	40	30		FKEBRM
CCCCCCCCCCCCCCCCCC[C@@H](NC(C)=O)C(=O)[O-]	ZINC000100307782	222240901	/nfs/dbraw/zinc/24/09/01/222240901.db2.gz	GYGGRXQCNOXQNG-OAQYLSRUSA-N	-1	0	369.590	6.227	40	30		FKEBRM
CCCCCCCCCCCCCCCCCCSCCC(=O)[O-]	ZINC000100309660	222241809	/nfs/dbraw/zinc/24/18/09/222241809.db2.gz	CDBQZFAWRRUUIC-UHFFFAOYSA-N	-1	0	358.632	7.456	40	30		FKEBRM
O=C1C(=O)C(C2CCC(c3ccc(Cl)cc3)CC2)=C([O-])c2ccccc21	ZINC000100345537	571063510	/nfs/dbraw/zinc/06/35/10/571063510.db2.gz	BSJMWHQBCZFXBR-UHFFFAOYSA-N	-1	0	366.844	5.349	40	30	in-vitro	FKEBRM
Cc1cc(/C=N\c2ccc([O-])c(Cl)c2)c(C)n1-c1cccc(Cl)c1	ZINC000100386046	210081981	/nfs/dbraw/zinc/08/19/81/210081981.db2.gz	RBGZUQSSGZPMLS-JJFYIABZSA-N	-1	0	359.256	5.857	40	30		FKEBRM
CCCCCCCCCCC/C=C/CCCCCCCCCC(=O)[O-]	ZINC000100500410	209214380	/nfs/dbraw/zinc/21/43/80/209214380.db2.gz	SHSZEHRDEQXEAR-OUKQBFOZSA-N	-1	0	352.603	8.059	40	30		FKEBRM
CCCCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C=C(\C)C(=O)[O-]	ZINC000100501266	222244852	/nfs/dbraw/zinc/24/48/52/222244852.db2.gz	QATZZTDPCBEGNO-GNIIKOPDSA-N	-1	0	370.577	7.719	40	30		FKEBRM
CCc1ccc2oc(-c3cc(/N=C/c4ccccc4O)ccc3[O-])nc2c1	ZINC000100502835	222244721	/nfs/dbraw/zinc/24/47/21/222244721.db2.gz	JXDPSODTBHVVLC-YDZHTSKRSA-N	-1	0	358.397	5.219	40	30		FKEBRM
CCOc1cccc(/C=N\c2ccc([O-])c(-c3nc4ccccc4o3)c2)c1O	ZINC000100505551	570761705	/nfs/dbraw/zinc/76/17/05/570761705.db2.gz	LECADABKWRDUAC-QRVIBDJDSA-N	-1	0	374.396	5.055	40	30		FKEBRM
C/C(=N\c1cccc(C)c1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000100643578	222249107	/nfs/dbraw/zinc/24/91/07/222249107.db2.gz	MXKOTKADPSIFTK-KOEQRZSOSA-N	-1	0	368.436	5.145	40	30		FKEBRM
C/C(=N\c1ccc(C)cc1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000100643579	222249575	/nfs/dbraw/zinc/24/95/75/222249575.db2.gz	XSYHHBHNCPHYQE-KOEQRZSOSA-N	-1	0	368.436	5.145	40	30		FKEBRM
CCCCCCCCCCCCCCCC(=O)NCCCCCC(=O)[O-]	ZINC000100921893	222257261	/nfs/dbraw/zinc/25/72/61/222257261.db2.gz	SBZJCXSPPVEWMB-UHFFFAOYSA-N	-1	0	369.590	6.229	40	30		FKEBRM
Cc1ccc(O)c(/N=C/c2ccc(-c3ccc(Br)cc3)o2)c1	ZINC000100930791	571084634	/nfs/dbraw/zinc/08/46/34/571084634.db2.gz	XYVAGIVBLOIARZ-RGVLZGJSSA-N	-1	0	356.219	5.474	40	30		FKEBRM
Cc1ccc(Cl)cc1/N=C\c1cc(Cl)cc(Br)c1[O-]	ZINC000100933795	209220140	/nfs/dbraw/zinc/22/01/40/209220140.db2.gz	CZWKEMJDDFTMJU-WSVATBPTSA-N	-1	0	359.050	5.521	40	30		FKEBRM
CCCCCCCCn1c2ccccc2nc1-c1cc([N+](=O)[O-])ccc1[O-]	ZINC000100933927	520051345	/nfs/dbraw/zinc/05/13/45/520051345.db2.gz	DXBLGTHJSZTSSR-UHFFFAOYSA-N	-1	0	367.449	5.678	40	30		FKEBRM
CCCCCCCCCCCCOc1ccc2cc(C(=O)[O-])ccc2c1	ZINC000101004850	520011125	/nfs/dbraw/zinc/01/11/25/520011125.db2.gz	YWTVKYUMVFJKGJ-UHFFFAOYSA-N	-1	0	356.506	6.838	40	30		FKEBRM
CCCCCCCOc1ccc(C(=O)[O-])cc1OCCCCCCC	ZINC000101004863	570509863	/nfs/dbraw/zinc/50/98/63/570509863.db2.gz	TZIZSGVLNGVVNV-UHFFFAOYSA-N	-1	0	350.499	6.083	40	30		FKEBRM
Cc1cc(/C=N/c2ccc(Cl)c([O-])c2)c(C)n1-c1ccc(Cl)cc1	ZINC000101627541	570765614	/nfs/dbraw/zinc/76/56/14/570765614.db2.gz	JCIGIUWDHYIAJC-SSDVNMTOSA-N	-1	0	359.256	5.857	40	30		FKEBRM
CCCCCCCCCCC#CC#CCCCCCCCCCCC(=O)[O-]	ZINC000102182660	570514587	/nfs/dbraw/zinc/51/45/87/570514587.db2.gz	WGUBUTPKAGTFAB-UHFFFAOYSA-N	-1	0	374.609	7.510	40	30		FKEBRM
CCCCCCCCCCCCCCCCSc1n[n-]c(=S)s1	ZINC000103003835	571122468	/nfs/dbraw/zinc/12/24/68/571122468.db2.gz	VBEUZNRQQCFRHZ-UHFFFAOYSA-N	-1	0	374.685	7.400	40	30		FKEBRM
CCCCCCCCCCCCSC(=S)SCCC(=O)[O-]	ZINC000103005742	209245203	/nfs/dbraw/zinc/24/52/03/209245203.db2.gz	MSUZWAYOTYITCL-UHFFFAOYSA-N	-1	0	350.615	6.133	40	30		FKEBRM
O=C(C=C([O-])C(F)(F)F)c1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000103560371	222338816	/nfs/dbraw/zinc/33/88/16/222338816.db2.gz	AAMCTSGFTBIOFS-SXGWCWSVSA-N	-1	0	356.727	5.106	40	30		FKEBRM
CCCCCCCCCCCCCCCC(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000103641290	209255628	/nfs/dbraw/zinc/25/56/28/209255628.db2.gz	OGLNTVZUARMGNY-HXUWFJFHSA-N	-1	0	355.563	5.693	40	30		FKEBRM
Oc1ccc(Br)cc1/C=N\c1ccc2c3c(cccc31)CC2	ZINC000103727455	570852153	/nfs/dbraw/zinc/85/21/53/570852153.db2.gz	JDNLNJFDBFKBCG-NHDPSOOVSA-N	-1	0	352.231	5.157	40	30		FKEBRM
CCOc1cc(/C=N\O)cc(Cl)c1OCc1ccc(Cl)cc1Cl	ZINC000103852260	210159658	/nfs/dbraw/zinc/15/96/58/210159658.db2.gz	UCDFVJIWJUKOQD-ZBKNUEDVSA-N	-1	0	374.651	5.433	40	30		FKEBRM
CCCCCCCCCCCCNC1=C([O-])C(=O)c2ccccc2C1=O	ZINC000104103245	520009692	/nfs/dbraw/zinc/00/96/92/520009692.db2.gz	ZVIBBAZFFYXTRX-UHFFFAOYSA-N	-1	0	357.494	5.346	40	30		FKEBRM
CCCCCCCCCCCCCNC1=C([O-])C(=O)c2ccccc2C1=O	ZINC000104106097	520007443	/nfs/dbraw/zinc/00/74/43/520007443.db2.gz	KWYKKJVSZLAGES-UHFFFAOYSA-N	-1	0	371.521	5.736	40	30		FKEBRM
O=[N+]([O-])C(N=Nc1ccc2ccccc2c1)=N[N-]c1ccc2ccccc2c1	ZINC000104111172	527318988	/nfs/dbraw/zinc/31/89/88/527318988.db2.gz	IQBINNRCPKWRDH-LNKNBHAJSA-N	-1	0	369.384	5.737	40	30		FKEBRM
O=[N+]([O-])C(N=Nc1ccc2ccccc2c1)=N[N-]c1ccc2ccccc2c1	ZINC000104111179	527318743	/nfs/dbraw/zinc/31/87/43/527318743.db2.gz	IQBINNRCPKWRDH-TZMMARSASA-N	-1	0	369.384	5.737	40	30		FKEBRM
O=C(/C=N\[O-])c1c(-c2ccccc2)[nH]c(-c2ccccc2)c1-c1ccccc1	ZINC000104119845	222349959	/nfs/dbraw/zinc/34/99/59/222349959.db2.gz	GFOPCAHBNNNKQR-XYGWBWBKSA-N	-1	0	366.420	5.658	40	30		FKEBRM
O=C(C=C([O-])c1ccccc1)C=C(C=Cc1ccccc1)c1ccccc1	ZINC000104253912	527592649	/nfs/dbraw/zinc/59/26/49/527592649.db2.gz	CIHNUILUZTVQRS-LDEAKCMXSA-N	-1	0	352.433	5.626	40	30		FKEBRM
O=C(C=C([O-])c1ccccc1)C=C(C=Cc1ccccc1)c1ccccc1	ZINC000104253921	527593302	/nfs/dbraw/zinc/59/33/02/527593302.db2.gz	CIHNUILUZTVQRS-YTRZNNHBSA-N	-1	0	352.433	5.626	40	30		FKEBRM
O=C(C=C([O-])c1ccccc1)C=C(C=Cc1ccccc1)c1ccccc1	ZINC000104253925	527592903	/nfs/dbraw/zinc/59/29/03/527592903.db2.gz	CIHNUILUZTVQRS-AJIOFTKLSA-N	-1	0	352.433	5.626	40	30		FKEBRM
Cc1ccc(O)c(-c2cc(-c3ccccc3)nc(/N=C/c3ccccc3)n2)c1	ZINC000104314346	206000015	/nfs/dbraw/zinc/00/00/15/206000015.db2.gz	URHOGTCCBLCWCS-PCLIKHOPSA-N	-1	0	365.436	5.575	40	30		FKEBRM
CCCCCCCCCCCCCCCc1ccc(Cl)c([O-])c1Cl	ZINC000104331221	520006001	/nfs/dbraw/zinc/00/60/01/520006001.db2.gz	KLBGIBWLIPXCCU-UHFFFAOYSA-N	-1	0	373.408	8.333	40	30		FKEBRM
CCCCCCCC/C=C\CCCCCCCC(=O)NC(C)(C)C(=O)[O-]	ZINC000104345187	209261778	/nfs/dbraw/zinc/26/17/78/209261778.db2.gz	XFLXJCCWLJSPFC-QXMHVHEDSA-N	-1	0	367.574	6.003	40	30		FKEBRM
CCCCCCCC/C=C/CCCCCCCC(=O)NC(C)(C)C(=O)[O-]	ZINC000104345189	222355078	/nfs/dbraw/zinc/35/50/78/222355078.db2.gz	XFLXJCCWLJSPFC-VAWYXSNFSA-N	-1	0	367.574	6.003	40	30		FKEBRM
CCCC[C@@H](CC)CC[C@@H](CCC(CC)CC)OC(=O)/C(=N/[O-])C(C)=O	ZINC000104347370	222355082	/nfs/dbraw/zinc/35/50/82/222355082.db2.gz	QXURMVMQUSFRNL-TXFDCJEUSA-N	-1	0	369.546	5.530	40	30		FKEBRM
CCCC[C@H](CC)CC[C@@H](CCC(CC)CC)OC(=O)/C(=N/[O-])C(C)=O	ZINC000104347375	222355570	/nfs/dbraw/zinc/35/55/70/222355570.db2.gz	QXURMVMQUSFRNL-WEOVMKDHSA-N	-1	0	369.546	5.530	40	30		FKEBRM
CCCCCCCCCCCCC[C@H](O)CCCCCCCC(=O)[O-]	ZINC000104356628	209261171	/nfs/dbraw/zinc/26/11/71/209261171.db2.gz	CCLWQKIJFKKZPD-NRFANRHFSA-N	-1	0	356.591	6.864	40	30		FKEBRM
CCCCCCCCCCCCC[C@@H](O)CCCCCCCC(=O)[O-]	ZINC000104356633	222355784	/nfs/dbraw/zinc/35/57/84/222355784.db2.gz	CCLWQKIJFKKZPD-OAQYLSRUSA-N	-1	0	356.591	6.864	40	30		FKEBRM
CCCCCCCCCCCCCCCC[C@H](O)CS(=O)(=O)[O-]	ZINC000104376935	209260888	/nfs/dbraw/zinc/26/08/88/209260888.db2.gz	JGBQXHDZRBVCEJ-SFHVURJKSA-N	-1	0	350.565	5.107	40	30		FKEBRM
CCCCCCCCCCCCCCCC[C@@H](O)CS(=O)(=O)[O-]	ZINC000104376939	209260802	/nfs/dbraw/zinc/26/08/02/209260802.db2.gz	JGBQXHDZRBVCEJ-GOSISDBHSA-N	-1	0	350.565	5.107	40	30		FKEBRM
CCCCCCCCCCCCc1ccc(-c2ccc(C(=O)[O-])cc2)cc1	ZINC000109214792	571310959	/nfs/dbraw/zinc/31/09/59/571310959.db2.gz	ODJQBLRUMXTLKR-UHFFFAOYSA-N	-1	0	366.545	7.515	40	30		FKEBRM
CCCCCCCC[C@H]1O[C@H]1CCCCCCCCCCCC(=O)[O-]	ZINC000111391968	570931292	/nfs/dbraw/zinc/93/12/92/570931292.db2.gz	NSYDMBURIUSUDH-RTWAWAEBSA-N	-1	0	354.575	6.880	40	30		FKEBRM
C[C@@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118932837	570870988	/nfs/dbraw/zinc/87/09/88/570870988.db2.gz	CREVIXFSUWYGRJ-AOEZPDJKSA-N	-1	0	370.533	5.411	40	30		FKEBRM
COc1cc(C)c(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1C(C)C	ZINC000137395322	570631902	/nfs/dbraw/zinc/63/19/02/570631902.db2.gz	RSYGIKOIMULKAT-RCRSJKOXSA-N	-1	0	372.515	5.001	40	30		FKEBRM
CCc1ccccc1-n1c(C)cc(/C=N/c2cccc(C(=O)[O-])c2C)c1C	ZINC000139804143	571311140	/nfs/dbraw/zinc/31/11/40/571311140.db2.gz	QSBMHUXXZJXCMF-ZVHZXABRSA-N	-1	0	360.457	5.414	40	30		FKEBRM
CC(C)c1ccc(/N=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)cc1	ZINC000140172464	571311123	/nfs/dbraw/zinc/31/11/23/571311123.db2.gz	JVQNDAWSJMLLNO-MFKUBSTISA-N	-1	0	373.452	5.838	40	30		FKEBRM
CCc1cccc(C)c1-n1c(C)cc(/C=N/c2cccc(C(=O)[O-])c2)c1C	ZINC000145284198	571311153	/nfs/dbraw/zinc/31/11/53/571311153.db2.gz	WORGJEXNVZXLGU-ZVHZXABRSA-N	-1	0	360.457	5.414	40	30		FKEBRM
Cc1cc(/C=N/c2ccccc2[S-])c(C)n1-c1ccc2ncccc2c1	ZINC000165657764	571311149	/nfs/dbraw/zinc/31/11/49/571311149.db2.gz	SPDNIPYDENAHGH-ZVHZXABRSA-N	-1	0	357.482	5.682	40	30		FKEBRM
CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(C(=O)[O-])cc2C)c1C	ZINC000166831031	571311151	/nfs/dbraw/zinc/31/11/51/571311151.db2.gz	IWMQGIBHPDVUMJ-AFUMVMLFSA-N	-1	0	374.484	5.722	40	30		FKEBRM
Oc1ccc2ccccc2c1C=Nc1ccc(Br)cc1Cl	ZINC000254555512	571318002	/nfs/dbraw/zinc/31/80/02/571318002.db2.gz	WDNCHXFLINDQTP-UHFFFAOYSA-N	-1	0	360.638	5.712	40	30		FKEBRM
Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1N=Cc1ccccc1O	ZINC000254555899	571318007	/nfs/dbraw/zinc/31/80/07/571318007.db2.gz	QQLHBEPCNPQWPR-UHFFFAOYSA-N	-1	0	362.816	5.913	40	30		FKEBRM
CCCCCCCCOc1c(Br)cc(C(=O)[O-])cc1OCC	ZINC000315368720	571319038	/nfs/dbraw/zinc/31/90/38/571319038.db2.gz	CJOMONRENVWKDE-UHFFFAOYSA-N	-1	0	373.287	5.285	40	30		FKEBRM
CCCCCCCCOc1c(Br)cc(/C=N\O)cc1OC	ZINC000408538654	570942790	/nfs/dbraw/zinc/94/27/90/570942790.db2.gz	BDNINRVCUIYNAR-PDGQHHTCSA-N	-1	0	358.276	5.005	40	30		FKEBRM
Cc1ccc(C)c(/N=C\c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)c1	ZINC000408540933	570943204	/nfs/dbraw/zinc/94/32/04/570943204.db2.gz	CXXRWDOYOMDATA-MSXFZWOLSA-N	-1	0	372.424	5.348	40	30		FKEBRM
CCc1ccc(/N=C/c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)cc1	ZINC000408541049	570943372	/nfs/dbraw/zinc/94/33/72/570943372.db2.gz	BBAINWQWTAVPKE-ZMOGYAJESA-N	-1	0	372.424	5.294	40	30		FKEBRM
Cc1cccc(/N=C\c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)c1	ZINC000408541565	570528393	/nfs/dbraw/zinc/52/83/93/570528393.db2.gz	DFFLRIFONHJJNA-FMCGGJTJSA-N	-1	0	358.397	5.040	40	30		FKEBRM
Cc1ccc(/N=C/c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)cc1C	ZINC000408541759	570943471	/nfs/dbraw/zinc/94/34/71/570943471.db2.gz	FSKNFROOKVOLLE-WYMPLXKRSA-N	-1	0	372.424	5.348	40	30		FKEBRM
Cc1ccccc1/N=C\c1cn(Cc2ccc(C(=O)[O-])o2)c2ccccc12	ZINC000408542531	570943254	/nfs/dbraw/zinc/94/32/54/570943254.db2.gz	MAXNKZRETUPCFM-FMCGGJTJSA-N	-1	0	358.397	5.040	40	30		FKEBRM
Cc1ccc(/N=C/c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)cc1	ZINC000408542824	570943394	/nfs/dbraw/zinc/94/33/94/570943394.db2.gz	OANCSXZBGCWUAT-FSJBWODESA-N	-1	0	358.397	5.040	40	30		FKEBRM
Cc1ccc(/N=C\c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)c(C)c1	ZINC000408543928	570944342	/nfs/dbraw/zinc/94/43/42/570944342.db2.gz	TZFNYSBYBADCHL-MSXFZWOLSA-N	-1	0	372.424	5.348	40	30		FKEBRM
O=C([O-])c1cc(-c2ccc(/C=C/C(=O)c3ccccc3)o2)ccc1Cl	ZINC000408620485	570960149	/nfs/dbraw/zinc/96/01/49/570960149.db2.gz	JLDQGPQGXISQNE-JXMROGBWSA-N	-1	0	352.773	5.194	40	30		FKEBRM
Cc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)cc1	ZINC000408691787	570966158	/nfs/dbraw/zinc/96/61/58/570966158.db2.gz	QBVFYAVRXVCHRB-JXMROGBWSA-N	-1	0	366.800	5.503	40	30		FKEBRM
Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2[O-])c(C)n1-c1ccc(Cl)cc1	ZINC000408737579	570974921	/nfs/dbraw/zinc/97/49/21/570974921.db2.gz	DZPIUMZHTKIYQO-SRZZPIQSSA-N	-1	0	369.808	5.112	40	30		FKEBRM
Cc1cc(/C=N/c2ccc(Cl)c(C(=O)[O-])c2)c(C)n1C1CCCCC1	ZINC000408740744	570977017	/nfs/dbraw/zinc/97/70/17/570977017.db2.gz	MCXCJCDZFMSBFY-WSDLNYQXSA-N	-1	0	358.869	5.712	40	30		FKEBRM
Cc1cc(/C=N/c2cccc(C(=O)[O-])c2C)c(C)n1-c1cccc(Cl)c1	ZINC000408751812	570980468	/nfs/dbraw/zinc/98/04/68/570980468.db2.gz	CMXMWKOGFLIQLM-FSJBWODESA-N	-1	0	366.848	5.505	40	30		FKEBRM
Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2)c(C)n1-c1cccc(Cl)c1	ZINC000408755362	570982569	/nfs/dbraw/zinc/98/25/69/570982569.db2.gz	UIBHNJLFTJBYKG-WSDLNYQXSA-N	-1	0	352.821	5.196	40	30		FKEBRM
CCc1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)[O-])cc3C)c2C)cc1	ZINC000408756768	570982992	/nfs/dbraw/zinc/98/29/92/570982992.db2.gz	UJVAMMCLPYQSAT-ZVHZXABRSA-N	-1	0	360.457	5.414	40	30		FKEBRM
CCc1ccc(-n2c(C)cc(/C=N\c3cc(C(=O)[O-])ccc3C)c2C)cc1	ZINC000408757188	570982958	/nfs/dbraw/zinc/98/29/58/570982958.db2.gz	VNDDGEXIXFUZTC-OYKKKHCWSA-N	-1	0	360.457	5.414	40	30		FKEBRM
Cc1cc(/C=N/Cc2ccc(C(=O)[O-])cc2)c(C)n1-c1cccc(Cl)c1	ZINC000408759160	570985287	/nfs/dbraw/zinc/98/52/87/570985287.db2.gz	YZWJNYJNVSGNOR-YDZHTSKRSA-N	-1	0	366.848	5.065	40	30		FKEBRM
Cc1cc(/C=N\c2cc(C(=O)[O-])ccc2C)c(C)n1-c1cccc(Cl)c1	ZINC000408759493	570619164	/nfs/dbraw/zinc/61/91/64/570619164.db2.gz	FZWYPWPMRXEZQJ-FMCGGJTJSA-N	-1	0	366.848	5.505	40	30		FKEBRM
CCc1ccc(-n2c(C)cc(/C=N/c3cccc(C(=O)[O-])c3C)c2C)cc1	ZINC000408760993	570620773	/nfs/dbraw/zinc/62/07/73/570620773.db2.gz	BSADLOGBEQJCHD-ZVHZXABRSA-N	-1	0	360.457	5.414	40	30		FKEBRM
Cc1cc(/C=N/c2cccc(C(=O)[O-])c2)c(C)n1-c1cccc(Cl)c1	ZINC000408761527	570984822	/nfs/dbraw/zinc/98/48/22/570984822.db2.gz	FOKICDLRFCVPRC-WSDLNYQXSA-N	-1	0	352.821	5.196	40	30		FKEBRM
Cc1cc(/C=N/c2cc(C(=O)[O-])ccc2Cl)c(C)n1-c1cccc(C)c1	ZINC000408762265	570985416	/nfs/dbraw/zinc/98/54/16/570985416.db2.gz	JWSWJRUXEYTEJC-FSJBWODESA-N	-1	0	366.848	5.505	40	30		FKEBRM
Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2C)c(C)n1-c1cccc(Cl)c1	ZINC000408763246	570986972	/nfs/dbraw/zinc/98/69/72/570986972.db2.gz	MGYUNDYDLPONSU-FSJBWODESA-N	-1	0	366.848	5.505	40	30		FKEBRM
Cc1cc(/C=N/c2ccc(C(=O)[O-])c(Cl)c2)c(C)n1-c1cccc(C)c1	ZINC000408765785	570988730	/nfs/dbraw/zinc/98/87/30/570988730.db2.gz	QHXRBYKEAJKHGN-FSJBWODESA-N	-1	0	366.848	5.505	40	30		FKEBRM
Cc1cc(/C=N/c2cc([N+](=O)[O-])ccc2[O-])c(C)n1-c1ccc(Cl)cc1	ZINC000408768226	570685198	/nfs/dbraw/zinc/68/51/98/570685198.db2.gz	VFATVCPABDPXHC-SRZZPIQSSA-N	-1	0	369.808	5.112	40	30		FKEBRM
Cc1cc(/C=N/c2ccc(C(=O)[O-])c(Cl)c2)c(C)n1-c1ccccc1	ZINC000408768368	570685313	/nfs/dbraw/zinc/68/53/13/570685313.db2.gz	FOCBGHKRKCSRHG-WSDLNYQXSA-N	-1	0	352.821	5.196	40	30		FKEBRM
COc1ccc2[nH]c(-c3ccccc3)c(/C=N\c3ccc(C(=O)[O-])cc3)c2c1	ZINC000408774450	570685617	/nfs/dbraw/zinc/68/56/17/570685617.db2.gz	XHACKHWHUJHFKH-OYKKKHCWSA-N	-1	0	370.408	5.292	40	30		FKEBRM
Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2C)c(C)n1-c1ccc(Cl)cc1	ZINC000408774527	570991157	/nfs/dbraw/zinc/99/11/57/570991157.db2.gz	MDZQJQBCCGLCFJ-FSJBWODESA-N	-1	0	366.848	5.505	40	30		FKEBRM
Cc1cc(/C=N/c2cccc(C(=O)[O-])c2C)c(C)n1-c1ccc(Cl)cc1	ZINC000408775902	570991280	/nfs/dbraw/zinc/99/12/80/570991280.db2.gz	SUCNMUKCQPPNGB-FSJBWODESA-N	-1	0	366.848	5.505	40	30		FKEBRM
Cc1cc(/C=N/c2cc(C(=O)[O-])ccc2Cl)c(C)n1-c1ccccc1	ZINC000408776353	570685496	/nfs/dbraw/zinc/68/54/96/570685496.db2.gz	ZGZSMCXPGVHFNW-WSDLNYQXSA-N	-1	0	352.821	5.196	40	30		FKEBRM
Cc1cc(/C=N/c2ccccc2[S-])c(C)n1-c1cccc([N+](=O)[O-])c1	ZINC000408778785	570686318	/nfs/dbraw/zinc/68/63/18/570686318.db2.gz	KPJLQEKYLWRSHT-UDWIEESQSA-N	-1	0	351.431	5.042	40	30		FKEBRM
Cc1cc(/C=N\c2ccc(Cl)cc2[O-])c(C)n1-c1cccc([N+](=O)[O-])c1	ZINC000408782434	570686847	/nfs/dbraw/zinc/68/68/47/570686847.db2.gz	GZXRRKKHRVBPEJ-NHDPSOOVSA-N	-1	0	369.808	5.112	40	30		FKEBRM
Cc1cc(/C=N/c2cc(C(=O)[O-])ccc2Cl)c(C)n1-c1ccc(F)cc1	ZINC000408782489	570994389	/nfs/dbraw/zinc/99/43/89/570994389.db2.gz	HMMFBQLLHTWMBY-FOKLQQMPSA-N	-1	0	370.811	5.335	40	30		FKEBRM
COc1ccc2[nH]c(-c3ccccc3)c(/C=N\c3cccc(C(=O)[O-])c3)c2c1	ZINC000408784333	570995368	/nfs/dbraw/zinc/99/53/68/570995368.db2.gz	RTMZKYFINCUNPJ-OYKKKHCWSA-N	-1	0	370.408	5.292	40	30		FKEBRM
Cc1cc(/C=N/c2ccc(C(=O)[O-])c(Cl)c2)c(C)n1-c1ccc(F)cc1	ZINC000408784515	570687334	/nfs/dbraw/zinc/68/73/34/570687334.db2.gz	TZIPELRBELDFTK-FOKLQQMPSA-N	-1	0	370.811	5.335	40	30		FKEBRM
Cc1cc(/C=N\c2cc(C(=O)[O-])ccc2C)c(C)n1-c1ccc(Cl)cc1	ZINC000408784557	570687317	/nfs/dbraw/zinc/68/73/17/570687317.db2.gz	UNOIIOGDCVRWCN-FMCGGJTJSA-N	-1	0	366.848	5.505	40	30		FKEBRM
Cc1cc(/C=N\c2cccc(C)c2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408812076	570689038	/nfs/dbraw/zinc/68/90/38/570689038.db2.gz	BZQHPRHVHMYXJQ-FMCGGJTJSA-N	-1	0	366.848	5.505	40	30		FKEBRM
COc1cccc2c(/C=N\c3cccc(C(=O)[O-])c3)c(-c3ccccc3)[nH]c21	ZINC000408838041	571010572	/nfs/dbraw/zinc/01/05/72/571010572.db2.gz	BOZNJBNYPUWSCA-OYKKKHCWSA-N	-1	0	370.408	5.292	40	30		FKEBRM
O=C([O-])COc1ccc(/C=N/c2ccc(-c3ccccc3)cc2)cc1Cl	ZINC000408844421	571016066	/nfs/dbraw/zinc/01/60/66/571016066.db2.gz	IMTMALNZOQTOBL-YDZHTSKRSA-N	-1	0	365.816	5.221	40	30		FKEBRM
Cc1ccc(/N=C/c2ccc(-c3ccc(C)c(C(=O)[O-])c3)o2)cc1Cl	ZINC000408847957	570691968	/nfs/dbraw/zinc/69/19/68/570691968.db2.gz	OMTVBWSOFPQYND-SSDVNMTOSA-N	-1	0	353.805	5.666	40	30		FKEBRM
Cc1cc(/C=N\c2ccccc2C)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408849523	263501096	/nfs/dbraw/zinc/50/10/96/263501096.db2.gz	WTEPCXUSWFDHEI-FMCGGJTJSA-N	-1	0	366.848	5.505	40	30		FKEBRM
Cc1cc(/C=N/c2ccccc2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408849947	571021605	/nfs/dbraw/zinc/02/16/05/571021605.db2.gz	BLHQXXLKFVNSOI-WSDLNYQXSA-N	-1	0	352.821	5.196	40	30		FKEBRM
[S-]c1ccccc1/N=C/c1cccn1-c1ccc(Br)cc1	ZINC000408850175	570692406	/nfs/dbraw/zinc/69/24/06/570692406.db2.gz	HLYQNLHSQZSFCF-XDHOZWIPSA-N	-1	0	357.276	5.279	40	30		FKEBRM
O=C([O-])c1cc(/N=C\c2cccn2-c2ccc(Cl)cc2)ccc1Cl	ZINC000408850440	570692483	/nfs/dbraw/zinc/69/24/83/570692483.db2.gz	NSXPTQJZAAAIKF-NHDPSOOVSA-N	-1	0	359.212	5.233	40	30		FKEBRM
Cc1cc(/C=N\C2CCCCC2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408850573	570692436	/nfs/dbraw/zinc/69/24/36/570692436.db2.gz	OILKIHFOESDWNI-UUYOSTAYSA-N	-1	0	358.869	5.197	40	30		FKEBRM
CCc1cccc(C)c1-n1c(C)cc(/C=N/c2cccc(C(=O)[O-])c2C)c1C	ZINC000408850940	263502119	/nfs/dbraw/zinc/50/21/19/263502119.db2.gz	GUCOUUQZSSUQDO-AFUMVMLFSA-N	-1	0	374.484	5.722	40	30		FKEBRM
Cc1ccc(/N=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)cc1C	ZINC000408852109	570692088	/nfs/dbraw/zinc/69/20/88/570692088.db2.gz	IIQIVWVJGKKKRF-ZVHZXABRSA-N	-1	0	359.425	5.331	40	30		FKEBRM
Cc1cc(/C=N\c2ccccc2F)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408853820	570692864	/nfs/dbraw/zinc/69/28/64/570692864.db2.gz	XQFBBDBYBDKZAY-KSEXSDGBSA-N	-1	0	370.811	5.335	40	30		FKEBRM
Cc1ccc(/N=C\c2ccccc2OCc2ccc(C(=O)[O-])cc2)c(C)c1	ZINC000408857858	570692968	/nfs/dbraw/zinc/69/29/68/570692968.db2.gz	QFVPXEZPAOZRDZ-OYKKKHCWSA-N	-1	0	359.425	5.331	40	30		FKEBRM
Cc1cc(/C=N/c2ccc(F)cc2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408858558	571028732	/nfs/dbraw/zinc/02/87/32/571028732.db2.gz	TWQLYDNNTMURJY-FOKLQQMPSA-N	-1	0	370.811	5.335	40	30		FKEBRM
O=C([O-])c1ccc(/N=C/c2ccc(-c3cccc(Br)c3)o2)cc1	ZINC000408908771	263506484	/nfs/dbraw/zinc/50/64/84/263506484.db2.gz	DAJDDYXKICTJPZ-RGVLZGJSSA-N	-1	0	370.202	5.158	40	30		FKEBRM
Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2)c(C)n1-c1ccc(C(C)C)cc1	ZINC000408908838	570698056	/nfs/dbraw/zinc/69/80/56/570698056.db2.gz	DKRIOHHEKOTALY-ZVHZXABRSA-N	-1	0	360.457	5.666	40	30		FKEBRM
CCc1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)[O-])cc3C)c2C)cc1	ZINC000408908875	571047380	/nfs/dbraw/zinc/04/73/80/571047380.db2.gz	DSYPYVPDFZJKPG-ZVHZXABRSA-N	-1	0	360.457	5.414	40	30		FKEBRM
Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408909630	263506625	/nfs/dbraw/zinc/50/66/25/263506625.db2.gz	HUMASSFPSOCCFP-AFUMVMLFSA-N	-1	0	374.484	5.975	40	30		FKEBRM
Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2)c(C)n1-c1cccc(Cl)c1C	ZINC000408910704	570698325	/nfs/dbraw/zinc/69/83/25/570698325.db2.gz	LIWYRDGIGOJZAW-FSJBWODESA-N	-1	0	366.848	5.505	40	30		FKEBRM
O=C([O-])c1ccc(/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1	ZINC000408910892	263506451	/nfs/dbraw/zinc/50/64/51/263506451.db2.gz	LUPSFTVOGQOYSP-UFFVCSGVSA-N	-1	0	360.196	5.702	40	30		FKEBRM
O=C([O-])c1ccc(/N=C\c2ccc(-c3ccc(Br)cc3)o2)cc1	ZINC000408911636	571048199	/nfs/dbraw/zinc/04/81/99/571048199.db2.gz	ANSYIBDFTGYKCZ-JAIQZWGSSA-N	-1	0	370.202	5.158	40	30		FKEBRM
Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2)c(C)n1-c1ccc2ccccc2c1	ZINC000408913138	571048084	/nfs/dbraw/zinc/04/80/84/571048084.db2.gz	LCGRXRJXNAQURJ-MFKUBSTISA-N	-1	0	368.436	5.696	40	30		FKEBRM
Cc1cc(/C=N/c2cccc(Cl)c2)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408913473	571048520	/nfs/dbraw/zinc/04/85/20/571048520.db2.gz	VBDKLUOULBGMKD-FSJBWODESA-N	-1	0	366.848	5.505	40	30		FKEBRM
Cc1cc(/C=N\c2ccccc2Cl)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408913553	570698850	/nfs/dbraw/zinc/69/88/50/570698850.db2.gz	LSTGIFBOCYWIMP-FMCGGJTJSA-N	-1	0	366.848	5.505	40	30		FKEBRM
Cc1cc(/C=N\c2cc(C)ccc2C)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408914904	570698742	/nfs/dbraw/zinc/69/87/42/570698742.db2.gz	ZPOMPEOBQSXOPX-CFRMEGHHSA-N	-1	0	360.457	5.468	40	30		FKEBRM
CC(=O)c1ccc(N=Cc2cc(C)n(-c3ccc(C(=O)[O-])cc3C)c2C)cc1	ZINC000408914923	570698753	/nfs/dbraw/zinc/69/87/53/570698753.db2.gz	RSQGIUXLNMIDTK-ZMOGYAJESA-N	-1	0	374.440	5.054	40	30		FKEBRM
Cc1cc(/C=N\c2ccc(Cl)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408915485	571048483	/nfs/dbraw/zinc/04/84/83/571048483.db2.gz	WDBMOXKKTFUOSK-FMCGGJTJSA-N	-1	0	366.848	5.505	40	30		FKEBRM
O=C([O-])c1ccc(/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1	ZINC000408915504	570699083	/nfs/dbraw/zinc/69/90/83/570699083.db2.gz	WNORYTYDDHOZQU-FBHDLOMBSA-N	-1	0	360.196	5.702	40	30		FKEBRM
Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2)c(C)n1-c1cc(Cl)ccc1C	ZINC000408915557	570699264	/nfs/dbraw/zinc/69/92/64/570699264.db2.gz	XSABXKCQNSUHRJ-FSJBWODESA-N	-1	0	366.848	5.505	40	30		FKEBRM
Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2)c(C)n1-c1ccc(F)c(Cl)c1	ZINC000408915598	570699197	/nfs/dbraw/zinc/69/91/97/570699197.db2.gz	YHRHQDLTLWUQHT-FOKLQQMPSA-N	-1	0	370.811	5.335	40	30		FKEBRM
O=C([O-])c1ccc(-n2cccc2/C=N\c2ccc(Cl)cc2Cl)cc1	ZINC000408931801	571055089	/nfs/dbraw/zinc/05/50/89/571055089.db2.gz	QLNKQNIQSJRQAS-NHDPSOOVSA-N	-1	0	359.212	5.233	40	30		FKEBRM
Cc1cc(/C=N\c2cccc(C)c2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408933262	570701112	/nfs/dbraw/zinc/70/11/12/570701112.db2.gz	ACUUBVWAFWWDES-FMCGGJTJSA-N	-1	0	366.848	5.505	40	30		FKEBRM
Oc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1	ZINC000408935310	570701118	/nfs/dbraw/zinc/70/11/18/570701118.db2.gz	CRQSIRVSFCNIFS-QOGPNBCKSA-N	-1	0	366.464	5.969	40	30		FKEBRM
Oc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1	ZINC000408935311	570701180	/nfs/dbraw/zinc/70/11/80/570701180.db2.gz	CRQSIRVSFCNIFS-SASJVVMLSA-N	-1	0	366.464	5.969	40	30		FKEBRM
Cc1cc(/C=N/c2cccc(F)c2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408937562	570701443	/nfs/dbraw/zinc/70/14/43/570701443.db2.gz	GUXAPVGYRRGSER-FOKLQQMPSA-N	-1	0	370.811	5.335	40	30		FKEBRM
Cc1cc(/C=N\c2ccccc2C)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408937592	570701469	/nfs/dbraw/zinc/70/14/69/570701469.db2.gz	GYUPQLBLIDJVIK-FMCGGJTJSA-N	-1	0	366.848	5.505	40	30		FKEBRM
Cc1cc(/C=N/c2ccccc2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408939882	570701546	/nfs/dbraw/zinc/70/15/46/570701546.db2.gz	ITGCHMCIPMJGPQ-WSDLNYQXSA-N	-1	0	352.821	5.196	40	30		FKEBRM
Cc1cc(/C=N/Cc2ccccc2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408939895	571058299	/nfs/dbraw/zinc/05/82/99/571058299.db2.gz	IUWNQPXBBOCRGW-YDZHTSKRSA-N	-1	0	366.848	5.065	40	30		FKEBRM
Cc1cc(/C=N/c2ccc(F)cc2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408941668	570701693	/nfs/dbraw/zinc/70/16/93/570701693.db2.gz	KABYLCQTRAFAES-FOKLQQMPSA-N	-1	0	370.811	5.335	40	30		FKEBRM
Cc1ccc(C(=O)[O-])cc1/N=C\c1cccn1-c1cccc(C(F)(F)F)c1	ZINC000408942319	571058302	/nfs/dbraw/zinc/05/83/02/571058302.db2.gz	XIGBTLODACFVCA-MSXFZWOLSA-N	-1	0	372.346	5.253	40	30		FKEBRM
Cc1cc(/C=N\c2ccccc2F)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408947466	571059364	/nfs/dbraw/zinc/05/93/64/571059364.db2.gz	QBLFOJWWSBPUIL-KSEXSDGBSA-N	-1	0	370.811	5.335	40	30		FKEBRM
Cc1cc(/C=N/c2ccc(C)cc2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408949891	570702039	/nfs/dbraw/zinc/70/20/39/570702039.db2.gz	SNGDVLKNOAKBIW-FSJBWODESA-N	-1	0	366.848	5.505	40	30		FKEBRM
Cc1cc(/C=N\C2CCCCC2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408950615	570701964	/nfs/dbraw/zinc/70/19/64/570701964.db2.gz	TZWKPGUGZDIQGR-UUYOSTAYSA-N	-1	0	358.869	5.197	40	30		FKEBRM
CCc1cccc(C)c1-n1c(C)cc(/C=N\c2cc(C(=O)[O-])ccc2C)c1C	ZINC000408959626	571064730	/nfs/dbraw/zinc/06/47/30/571064730.db2.gz	CESQAHAAQKYPGP-QFEZKATASA-N	-1	0	374.484	5.722	40	30		FKEBRM
CCc1cccc(C)c1-n1c(C)cc(/C=N/Cc2ccc(C(=O)[O-])cc2)c1C	ZINC000408960009	570702866	/nfs/dbraw/zinc/70/28/66/570702866.db2.gz	HZEDHZSNVFHWIX-MFKUBSTISA-N	-1	0	374.484	5.282	40	30		FKEBRM
Cc1ccc(/N=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1Cl	ZINC000408960047	571064617	/nfs/dbraw/zinc/06/46/17/571064617.db2.gz	IMHSSEBPUTUNJL-SSDVNMTOSA-N	-1	0	353.805	5.666	40	30		FKEBRM
O=C([O-])c1ccc(COc2ccccc2/C=N\c2ccccc2Cl)cc1	ZINC000408960094	570702895	/nfs/dbraw/zinc/70/28/95/570702895.db2.gz	JJJYUZQIMKDOOL-QRVIBDJDSA-N	-1	0	365.816	5.368	40	30		FKEBRM
O=C([O-])c1ccc(COc2ccccc2/C=N\c2ccc(Cl)cc2)cc1	ZINC000408960096	571064303	/nfs/dbraw/zinc/06/43/03/571064303.db2.gz	JJZHLQUTYWGRQL-QRVIBDJDSA-N	-1	0	365.816	5.368	40	30		FKEBRM
CC[C@H](C)c1ccc(/N=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1	ZINC000408960253	570702884	/nfs/dbraw/zinc/70/28/84/570702884.db2.gz	KFWBEAXOEQVFTJ-BGHCKBSUSA-N	-1	0	361.441	6.217	40	30		FKEBRM
CC[C@@H](C)c1ccc(/N=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1	ZINC000408960254	570702873	/nfs/dbraw/zinc/70/28/73/570702873.db2.gz	KFWBEAXOEQVFTJ-LZCVXGSNSA-N	-1	0	361.441	6.217	40	30		FKEBRM
Cc1cc(/N=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)ccc1F	ZINC000408960295	570702926	/nfs/dbraw/zinc/70/29/26/570702926.db2.gz	KVJSBQGDRMDCMZ-ZMOGYAJESA-N	-1	0	363.388	5.162	40	30		FKEBRM
Cc1ccc(C)c(/N=C\c2ccccc2OCc2ccc(C(=O)[O-])cc2)c1	ZINC000408960566	570703277	/nfs/dbraw/zinc/70/32/77/570703277.db2.gz	MTTYVEDIIBSZQH-OYKKKHCWSA-N	-1	0	359.425	5.331	40	30		FKEBRM
COc1ccc(Cl)cc1/N=C/c1ccc(-c2ccc(C(=O)[O-])cc2C)o1	ZINC000408960722	570702974	/nfs/dbraw/zinc/70/29/74/570702974.db2.gz	ICNFBCGOAYEMLT-SSDVNMTOSA-N	-1	0	369.804	5.366	40	30		FKEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/c2cccc(Cl)c2C)o1	ZINC000408960735	570702987	/nfs/dbraw/zinc/70/29/87/570702987.db2.gz	IILQGLGZGREIEQ-SSDVNMTOSA-N	-1	0	353.805	5.666	40	30		FKEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/c2cccc3ccccc32)o1	ZINC000408960767	570702887	/nfs/dbraw/zinc/70/28/87/570702887.db2.gz	ISCQNACWHOYXMJ-ZVHZXABRSA-N	-1	0	355.393	5.857	40	30		FKEBRM
CCCCc1ccc(/N=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1	ZINC000408961120	570703329	/nfs/dbraw/zinc/70/33/29/570703329.db2.gz	RDVXDZICCDALDE-BUVRLJJBSA-N	-1	0	361.441	6.046	40	30		FKEBRM
Cc1ccc(Cl)cc1/N=C/c1ccc(-c2ccc(C(=O)[O-])cc2C)o1	ZINC000408961265	570703812	/nfs/dbraw/zinc/70/38/12/570703812.db2.gz	LYYVBDOXFFSFKR-SSDVNMTOSA-N	-1	0	353.805	5.666	40	30		FKEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/c2ccc3ncccc3c2)o1	ZINC000408961299	571065144	/nfs/dbraw/zinc/06/51/44/571065144.db2.gz	MJVILFSAFLXPKU-ZMOGYAJESA-N	-1	0	356.381	5.252	40	30		FKEBRM
CSc1ccccc1/N=C/c1ccc(-c2ccc(C(=O)[O-])cc2C)o1	ZINC000408961461	571065510	/nfs/dbraw/zinc/06/55/10/571065510.db2.gz	MLVIJGWFYBSXNM-CIAFOILYSA-N	-1	0	351.427	5.426	40	30		FKEBRM
CCc1ccccc1/N=C/c1ccccc1OCc1ccc(C(=O)[O-])cc1	ZINC000408961962	571066072	/nfs/dbraw/zinc/06/60/72/571066072.db2.gz	WCCOODZTJHRBCT-BUVRLJJBSA-N	-1	0	359.425	5.277	40	30		FKEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N\c2ccc3ccccc3c2)o1	ZINC000408962136	570703759	/nfs/dbraw/zinc/70/37/59/570703759.db2.gz	QFOKUGRSZKIHMU-OYKKKHCWSA-N	-1	0	355.393	5.857	40	30		FKEBRM
COc1ccc(/N=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1Cl	ZINC000408962246	570703636	/nfs/dbraw/zinc/70/36/36/570703636.db2.gz	XPWNKVZWBYTPBV-SSDVNMTOSA-N	-1	0	369.804	5.366	40	30		FKEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N\c2ccc(Cl)cc2Cl)o1	ZINC000408962442	570703679	/nfs/dbraw/zinc/70/36/79/570703679.db2.gz	SCZNYHQAEFQDGV-YVNNLAQVSA-N	-1	0	374.223	6.011	40	30		FKEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N\c2ccc(C(C)(C)C)cc2)o1	ZINC000408962897	570703641	/nfs/dbraw/zinc/70/36/41/570703641.db2.gz	VSYZTBGMTRTOQT-OYKKKHCWSA-N	-1	0	361.441	6.001	40	30		FKEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/c2ccc(F)c(Cl)c2)o1	ZINC000408963247	263510998	/nfs/dbraw/zinc/51/09/98/263510998.db2.gz	YKSYHIRQHWEUCD-LSHDLFTRSA-N	-1	0	357.768	5.496	40	30		FKEBRM
O=[N+]([O-])c1cc(/C=N/c2ccc(-c3cc4ccccc4o3)cc2)ccc1[O-]	ZINC000408963356	570704166	/nfs/dbraw/zinc/70/41/66/570704166.db2.gz	NLJNNHXFANXUJE-LPYMAVHISA-N	-1	0	358.353	5.464	40	30		FKEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N\c2ccc(Cl)c(Cl)c2)o1	ZINC000408963421	263510809	/nfs/dbraw/zinc/51/08/09/263510809.db2.gz	ZHWXAEDTJDOJRC-YVNNLAQVSA-N	-1	0	374.223	6.011	40	30		FKEBRM
Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2)c(C)n1-c1ccc2ncccc2c1	ZINC000408964548	570704170	/nfs/dbraw/zinc/70/41/70/570704170.db2.gz	DILAJPJMOQYNPO-AFUMVMLFSA-N	-1	0	369.424	5.091	40	30		FKEBRM
CCc1ccccc1-n1c(C)cc(/C=N\c2cc(C(=O)[O-])ccc2C)c1C	ZINC000408964588	263510733	/nfs/dbraw/zinc/51/07/33/263510733.db2.gz	CVABPEIQHGEXIM-OYKKKHCWSA-N	-1	0	360.457	5.414	40	30		FKEBRM
CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(C(=O)[O-])cc2C)c1C	ZINC000408965504	570704602	/nfs/dbraw/zinc/70/46/02/570704602.db2.gz	HWHQNDBXRWTRIT-ZVHZXABRSA-N	-1	0	360.457	5.414	40	30		FKEBRM
Cc1cc(/C=N/c2cccc(C(=O)[O-])c2)c(C)n1-c1ccc2ncccc2c1	ZINC000408966884	570704573	/nfs/dbraw/zinc/70/45/73/570704573.db2.gz	OQTDKBOWXBLASD-AFUMVMLFSA-N	-1	0	369.424	5.091	40	30		FKEBRM
Cc1cc(/C=N/c2cccc(C(=O)[O-])c2)c(C)n1-c1ccc(C(C)(C)C)cc1	ZINC000408967117	570704594	/nfs/dbraw/zinc/70/45/94/570704594.db2.gz	PICPCJIAEBIRCX-MFKUBSTISA-N	-1	0	374.484	5.840	40	30		FKEBRM
Cc1ccc(-n2cccc2/C=N\c2cc(C(=O)[O-])ccc2C)cc1Cl	ZINC000409010640	570712141	/nfs/dbraw/zinc/71/21/41/570712141.db2.gz	CRRHAQUTRZKRQN-UUYOSTAYSA-N	-1	0	352.821	5.196	40	30		FKEBRM
CC[C@H](C)Oc1ccc(/C=N/c2ccc(C(=O)[O-])c(Cl)c2)cc1Cl	ZINC000409014915	571111541	/nfs/dbraw/zinc/11/15/41/571111541.db2.gz	QGDKXEAXHWPUEL-JYQBEENSSA-N	-1	0	366.244	5.620	40	30		FKEBRM
CC[C@@H](C)Oc1ccc(/C=N/c2ccc(C(=O)[O-])c(Cl)c2)cc1Cl	ZINC000409014916	570713354	/nfs/dbraw/zinc/71/33/54/570713354.db2.gz	QGDKXEAXHWPUEL-OHBSIKEHSA-N	-1	0	366.244	5.620	40	30		FKEBRM
Cc1ccc(-n2cccc2/C=N/c2ccc(C(=O)[O-])cc2C)cc1Cl	ZINC000409018492	571112119	/nfs/dbraw/zinc/11/21/19/571112119.db2.gz	HNSQPSXJMGZRKG-WSDLNYQXSA-N	-1	0	352.821	5.196	40	30		FKEBRM
CC[C@H](C)Oc1ccc(/C=N/c2cc(C(=O)[O-])ccc2Cl)cc1Cl	ZINC000409019461	570713942	/nfs/dbraw/zinc/71/39/42/570713942.db2.gz	ZEDHMTLHTAIHEU-JYQBEENSSA-N	-1	0	366.244	5.620	40	30		FKEBRM
CC[C@@H](C)Oc1ccc(/C=N/c2cc(C(=O)[O-])ccc2Cl)cc1Cl	ZINC000409019462	570713916	/nfs/dbraw/zinc/71/39/16/570713916.db2.gz	ZEDHMTLHTAIHEU-OHBSIKEHSA-N	-1	0	366.244	5.620	40	30		FKEBRM
CC[C@H](C)Oc1ccc(/C=N\c2ccc(Cl)c(C(=O)[O-])c2)cc1Cl	ZINC000409020094	570713780	/nfs/dbraw/zinc/71/37/80/570713780.db2.gz	LWBQURGWUMGYDK-GVHCZZSVSA-N	-1	0	366.244	5.620	40	30		FKEBRM
CC[C@@H](C)Oc1ccc(/C=N\c2ccc(Cl)c(C(=O)[O-])c2)cc1Cl	ZINC000409020096	571112210	/nfs/dbraw/zinc/11/22/10/571112210.db2.gz	LWBQURGWUMGYDK-VARIZKOUSA-N	-1	0	366.244	5.620	40	30		FKEBRM
O=C([O-])c1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)cc1	ZINC000409021741	571112132	/nfs/dbraw/zinc/11/21/32/571112132.db2.gz	WFSLXKUARVDPGG-RGVLZGJSSA-N	-1	0	373.886	6.002	40	30		FKEBRM
[O-]/N=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl	ZINC000409045174	570715974	/nfs/dbraw/zinc/71/59/74/570715974.db2.gz	FNJJBGXGOXGRFP-KPSZGOFPSA-N	-1	0	365.043	5.687	40	30		FKEBRM
O=C([O-])c1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1	ZINC000409071582	570719332	/nfs/dbraw/zinc/71/93/32/570719332.db2.gz	HJGNEKJQEALBNW-LPYMAVHISA-N	-1	0	367.857	5.940	40	30		FKEBRM
Cc1oc(/N=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)c(C#N)c1C	ZINC000409076261	263523219	/nfs/dbraw/zinc/52/32/19/263523219.db2.gz	ACYPOAUGTZILQP-LSFURLLWSA-N	-1	0	368.776	5.130	40	30		FKEBRM
Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/c1ccccc1[S-]	ZINC000409080955	571132577	/nfs/dbraw/zinc/13/25/77/571132577.db2.gz	OQWYYMKNBNPXTP-ZVHZXABRSA-N	-1	0	363.526	5.899	40	30		FKEBRM
CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(C(=O)[O-])cc3)sc2C1	ZINC000409085413	570720833	/nfs/dbraw/zinc/72/08/33/570720833.db2.gz	ZGYNWLLYNHGQSF-AQXNZCSYSA-N	-1	0	366.486	5.220	40	30		FKEBRM
CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(C(=O)[O-])cc3)sc2C1	ZINC000409085418	570720702	/nfs/dbraw/zinc/72/07/02/570720702.db2.gz	ZGYNWLLYNHGQSF-GIEPYWIESA-N	-1	0	366.486	5.220	40	30		FKEBRM
O=[N+]([O-])c1cccc(/C=N/c2ccc(Oc3ccccc3Cl)cc2)c1[O-]	ZINC000409095798	570722937	/nfs/dbraw/zinc/72/29/37/570722937.db2.gz	IDULIAKDDVJJCF-CIAFOILYSA-N	-1	0	368.776	5.497	40	30		FKEBRM
O=[N+]([O-])c1cccc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)c1[O-]	ZINC000409095881	570723028	/nfs/dbraw/zinc/72/30/28/570723028.db2.gz	IWDCDPRNRKAMND-CIAFOILYSA-N	-1	0	368.776	5.497	40	30		FKEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(Oc3ccccc3Cl)cc2)c1	ZINC000409096086	571133956	/nfs/dbraw/zinc/13/39/56/571133956.db2.gz	JOYNUAWTNMJXBI-CIAFOILYSA-N	-1	0	368.776	5.497	40	30		FKEBRM
O=C([O-])c1cccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)c1	ZINC000409096771	571133968	/nfs/dbraw/zinc/13/39/68/571133968.db2.gz	LZHHWCWKWLRMAJ-LPYMAVHISA-N	-1	0	367.857	5.940	40	30		FKEBRM
O=C([O-])c1cccc(-n2cccc2/C=N\c2ccc(Cl)cc2Cl)c1	ZINC000409100934	570723871	/nfs/dbraw/zinc/72/38/71/570723871.db2.gz	VZFMRNRWFVDEQJ-NHDPSOOVSA-N	-1	0	359.212	5.233	40	30		FKEBRM
O=C([O-])c1cccc(-n2cccc2/C=N\c2cccc(Cl)c2Cl)c1	ZINC000409105806	571134491	/nfs/dbraw/zinc/13/44/91/571134491.db2.gz	OVJOIINMVVVDNW-NHDPSOOVSA-N	-1	0	359.212	5.233	40	30		FKEBRM
O=C([O-])c1cccc(-n2cccc2/C=N\c2ccc(Cl)c(Cl)c2)c1	ZINC000409106645	570726517	/nfs/dbraw/zinc/72/65/17/570726517.db2.gz	OKFZRDMAJFKXMZ-NHDPSOOVSA-N	-1	0	359.212	5.233	40	30		FKEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)c1	ZINC000409107584	571134500	/nfs/dbraw/zinc/13/45/00/571134500.db2.gz	WWVUVTGLVZASFQ-CIAFOILYSA-N	-1	0	368.776	5.497	40	30		FKEBRM
O=C([O-])c1cccc(-n2cccc2/C=N/c2ccc(-c3ccccc3)cc2)c1	ZINC000409114108	571135638	/nfs/dbraw/zinc/13/56/38/571135638.db2.gz	IQIBCLZSDQPTDE-KOEQRZSOSA-N	-1	0	366.420	5.593	40	30		FKEBRM
Cc1oc(/N=C/c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)c(C#N)c1C	ZINC000409149824	263534392	/nfs/dbraw/zinc/53/43/92/263534392.db2.gz	RRTNZTKMRDAZQR-LSFURLLWSA-N	-1	0	368.776	5.130	40	30		FKEBRM
CCOc1ccc(-n2c(C)cc(/C=N/c3ccccc3[S-])c2C)cc1	ZINC000409187148	570736594	/nfs/dbraw/zinc/73/65/94/570736594.db2.gz	MSUSFDAQITWXLC-HYARGMPZSA-N	-1	0	350.487	5.532	40	30		FKEBRM
Cc1cc(/C=N\c2ccc(Cl)cc2)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409202910	570740194	/nfs/dbraw/zinc/74/01/94/570740194.db2.gz	UFVLCFUIFXDUMA-UUYOSTAYSA-N	-1	0	352.821	5.196	40	30		FKEBRM
Cc1ccc(Cl)cc1/N=C/c1c(OCC(=O)[O-])ccc2ccccc21	ZINC000409203537	263541054	/nfs/dbraw/zinc/54/10/54/263541054.db2.gz	YRKZKEZIQXITCC-SSDVNMTOSA-N	-1	0	353.805	5.016	40	30		FKEBRM
Cc1cccc(/N=C/c2ccc(OCc3ccccc3)c(C(=O)[O-])c2)c1C	ZINC000409203899	570740206	/nfs/dbraw/zinc/74/02/06/570740206.db2.gz	ZRVYRUQZPUVJKJ-ZVHZXABRSA-N	-1	0	359.425	5.331	40	30		FKEBRM
Cc1ccc(/N=C/c2ccc(OCc3ccccc3)c(C(=O)[O-])c2)cc1C	ZINC000409208452	571218341	/nfs/dbraw/zinc/21/83/41/571218341.db2.gz	BSIUYABBYAWMDI-ZVHZXABRSA-N	-1	0	359.425	5.331	40	30		FKEBRM
O=C([O-])c1ccc(COc2ccc(/C=N/c3ccccc3)cc2Cl)cc1	ZINC000409208501	571218363	/nfs/dbraw/zinc/21/83/63/571218363.db2.gz	CAHANCWTEOXPQC-YDZHTSKRSA-N	-1	0	365.816	5.368	40	30		FKEBRM
Cc1ccc(/N=C/c2c(OCC(=O)[O-])ccc3ccccc32)cc1Cl	ZINC000409209021	263541424	/nfs/dbraw/zinc/54/14/24/263541424.db2.gz	FDWUNHUJANNGDQ-SSDVNMTOSA-N	-1	0	353.805	5.016	40	30		FKEBRM
Cc1cccc(/N=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)c1C	ZINC000409210667	570740899	/nfs/dbraw/zinc/74/08/99/570740899.db2.gz	LVMGNGRIVRXLGO-ZVHZXABRSA-N	-1	0	359.425	5.331	40	30		FKEBRM
[O-]c1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Br	ZINC000409210960	570740928	/nfs/dbraw/zinc/74/09/28/570740928.db2.gz	MCHWUMNTXYDCMH-FYJGNVAPSA-N	-1	0	368.230	5.698	40	30		FKEBRM
[O-]c1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Cl	ZINC000409210995	571218508	/nfs/dbraw/zinc/21/85/08/571218508.db2.gz	LKAFBYMYVSXYCE-WSDLNYQXSA-N	-1	0	358.224	6.242	40	30		FKEBRM
CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C\c3ccc([O-])c(Cl)c3)sc2C1	ZINC000409211285	571218418	/nfs/dbraw/zinc/21/84/18/571218418.db2.gz	NIIBCHLDHZCUMS-DOQYOOLYSA-N	-1	0	372.921	5.880	40	30		FKEBRM
CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C\c3ccc([O-])c(Cl)c3)sc2C1	ZINC000409211292	571218527	/nfs/dbraw/zinc/21/85/27/571218527.db2.gz	NIIBCHLDHZCUMS-ICXMQADFSA-N	-1	0	372.921	5.880	40	30		FKEBRM
Cc1cccc(/N=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)c1C	ZINC000409212375	570741023	/nfs/dbraw/zinc/74/10/23/570741023.db2.gz	QTJRPTGVVIFCRL-ZVHZXABRSA-N	-1	0	359.425	5.331	40	30		FKEBRM
Cc1ccc(Cl)cc1/N=C/c1cc(Cl)c(OCC(=O)[O-])c(Cl)c1	ZINC000409213326	570741594	/nfs/dbraw/zinc/74/15/94/570741594.db2.gz	SIQODOYBKYWLBE-IFRROFPPSA-N	-1	0	372.635	5.169	40	30		FKEBRM
Cc1ccc(/N=C\c2cccc(OCc3ccc(C(=O)[O-])cc3)c2)cc1C	ZINC000409213942	571218743	/nfs/dbraw/zinc/21/87/43/571218743.db2.gz	UNYAPUXLVZBKAB-OYKKKHCWSA-N	-1	0	359.425	5.331	40	30		FKEBRM
Cc1ccc(/N=C\c2cccc(OCc3ccc(C(=O)[O-])cc3)c2)c(C)c1	ZINC000409214079	571218752	/nfs/dbraw/zinc/21/87/52/571218752.db2.gz	XTHYVYOTNIDKDN-OYKKKHCWSA-N	-1	0	359.425	5.331	40	30		FKEBRM
CCc1ccc(/N=C\c2cccc(OCc3ccc(C(=O)[O-])cc3)c2)cc1	ZINC000409214261	570741418	/nfs/dbraw/zinc/74/14/18/570741418.db2.gz	XCENTDBVJNIXJH-IWIPYMOSSA-N	-1	0	359.425	5.277	40	30		FKEBRM
Cc1cccc(/N=C\c2cccc(OCc3ccc(C(=O)[O-])cc3)c2)c1C	ZINC000409214774	571218717	/nfs/dbraw/zinc/21/87/17/571218717.db2.gz	YSRIHWOCXZMRQK-OYKKKHCWSA-N	-1	0	359.425	5.331	40	30		FKEBRM
Cc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)cc1C	ZINC000409215086	570741584	/nfs/dbraw/zinc/74/15/84/570741584.db2.gz	ZUOJKLDSTCCUQU-ZVHZXABRSA-N	-1	0	359.425	5.331	40	30		FKEBRM
Cc1ccc(/N=C/c2cc(Cl)c(OCC(=O)[O-])c(Cl)c2)cc1Cl	ZINC000409215776	570741569	/nfs/dbraw/zinc/74/15/69/570741569.db2.gz	ATIJCRPWLAZSMJ-IFRROFPPSA-N	-1	0	372.635	5.169	40	30		FKEBRM
O=C([O-])c1ccc(COc2ccc(Cl)cc2/C=N/c2ccccc2)cc1	ZINC000409218641	570741908	/nfs/dbraw/zinc/74/19/08/570741908.db2.gz	WUQMSTDOBOBDTO-YDZHTSKRSA-N	-1	0	365.816	5.368	40	30		FKEBRM
O=C([O-])c1cccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)c1	ZINC000409223332	571225814	/nfs/dbraw/zinc/22/58/14/571225814.db2.gz	YYZMEOLUBHIEFG-QFEZKATASA-N	-1	0	372.399	5.278	40	30		FKEBRM
Cc1ccc(Sc2ccc(/C=N/c3ccc(C(=O)[O-])cc3C)cc2)cc1	ZINC000409229705	570742255	/nfs/dbraw/zinc/74/22/55/570742255.db2.gz	TYDVUDWERQVPDF-OEAKJJBVSA-N	-1	0	361.466	5.903	40	30		FKEBRM
O=C([O-])c1ccc(-n2cccc2/C=N/c2ccc(-c3ccccc3)cc2)cc1	ZINC000409232241	571228565	/nfs/dbraw/zinc/22/85/65/571228565.db2.gz	PJHOAPKZWMRPAH-KOEQRZSOSA-N	-1	0	366.420	5.593	40	30		FKEBRM
O=C([O-])c1ccc(-n2cccc2/C=N\c2cccc(Cl)c2Cl)cc1	ZINC000409233959	263544476	/nfs/dbraw/zinc/54/44/76/263544476.db2.gz	ITTOSPARPIIZJX-NHDPSOOVSA-N	-1	0	359.212	5.233	40	30		FKEBRM
O=C([O-])c1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1	ZINC000409241047	263545721	/nfs/dbraw/zinc/54/57/21/263545721.db2.gz	NAQHUJJXISTHRL-QFEZKATASA-N	-1	0	372.399	5.278	40	30		FKEBRM
Cc1ccc(Sc2ccc(/C=N/c3cccc(C(=O)[O-])c3C)cc2)cc1	ZINC000409241800	263545569	/nfs/dbraw/zinc/54/55/69/263545569.db2.gz	YRUXNHRXASLNSR-OEAKJJBVSA-N	-1	0	361.466	5.903	40	30		FKEBRM
Cc1ccc(Sc2ccc(/C=N\c3cc(C(=O)[O-])ccc3C)cc2)cc1	ZINC000409242315	570746194	/nfs/dbraw/zinc/74/61/94/570746194.db2.gz	WTXFUWFNWCVWJX-UCQKPKSFSA-N	-1	0	361.466	5.903	40	30		FKEBRM
O=C([O-])c1ccc(-n2cccc2/C=N\c2ccc(Cl)c(Cl)c2)cc1	ZINC000409250661	263547080	/nfs/dbraw/zinc/54/70/80/263547080.db2.gz	NKHSSIDVGQPIQM-NHDPSOOVSA-N	-1	0	359.212	5.233	40	30		FKEBRM
Cc1ccc(Sc2ccc(/C=N\c3ccc(O)c(C(=O)[O-])c3)cc2)cc1	ZINC000409253530	570747019	/nfs/dbraw/zinc/74/70/19/570747019.db2.gz	ZKJCTNJGCYCUEQ-XKZIYDEJSA-N	-1	0	363.438	5.301	40	30		FKEBRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/Sc3ccccc3C2=O)o1	ZINC000409331516	570750424	/nfs/dbraw/zinc/75/04/24/570750424.db2.gz	FZTNSGOEBFUIQL-YBFXNURJSA-N	-1	0	362.406	5.283	40	30		FKEBRM
O=C([O-])c1cc(-c2ccc(/C=C3\Cc4ccccc4C3=O)o2)ccc1Cl	ZINC000409367843	571238172	/nfs/dbraw/zinc/23/81/72/571238172.db2.gz	IAEOTOHENWHTID-GXDHUFHOSA-N	-1	0	364.784	5.121	40	30		FKEBRM