smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)CC/C=C1/C[C@@H](c2cccc(CO)c2)C#C[C@H]2CC(=O)Oc3cc([O-])c(cc32)C[C@H]([C@]2(O)CCC[C@@H]3CC(=O)CC[C@H]32)OC1=O	ZINC000150344650	291912186	/nfs/dbraw/zinc/91/21/86/291912186.db2.gz	SNOYYHIPGVPJCH-RFGBWZOLSA-N	-1	3	654.800	6.185	1	30	biogenic,in-vitro	KKEFHM
COc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCSCc2ccc(OCc3ccccc3)cc2)C(=O)N[O-])cc1	ZINC000003923959	561686160	/nfs/dbraw/zinc/68/61/60/561686160.db2.gz	CQIQKDQFHVTTKM-NDEPHWFRSA-N	-1	3	572.749	5.118	1	30		KKEFHM
COc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3)c(NC(=S)Nc3ccc(SC(F)F)cc3)c2)cc1	ZINC000008686731	561707552	/nfs/dbraw/zinc/70/75/52/561707552.db2.gz	SNEOEQKTQRSGSP-UHFFFAOYSA-N	-1	3	564.705	6.440	3	30	aggregator	KKEFHM
O=C(CN(CCCc1ccccc1)C(=O)CN(Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)N[O-]	ZINC000026673613	561813249	/nfs/dbraw/zinc/81/32/49/561813249.db2.gz	ZWSBOQGJEGJBLB-UHFFFAOYSA-N	-1	3	566.658	5.480	1	30		KKEFHM
O=C(CN(C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCCc2ccccc21)N[O-]	ZINC000026674421	561813457	/nfs/dbraw/zinc/81/34/57/561813457.db2.gz	HJASPQSKQSRTLC-XIFFEERXSA-N	-1	3	606.723	6.357	1	30		KKEFHM
O=C(CN(CCCCc1ccccc1)C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)N[O-]	ZINC000026718482	561814692	/nfs/dbraw/zinc/81/46/92/561814692.db2.gz	UFTKNLSTJLMVEM-UHFFFAOYSA-N	-1	3	608.739	6.303	1	30		KKEFHM
CO[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)c(C)c1)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000027100034	561838536	/nfs/dbraw/zinc/83/85/36/561838536.db2.gz	MDNBGABATBOAOY-YCLCTBJKSA-N	-1	3	573.734	5.489	1	30		KKEFHM
CC1=C(CCCCC(=O)OCc2cc(NC(=O)CN3CCCCC3)cc(Nc3ccnc4cc(Cl)ccc43)c2)C(=O)c2c([O-])cccc2C1=O	ZINC000027427311	561858684	/nfs/dbraw/zinc/85/86/84/561858684.db2.gz	YTDYDMJOTOCUOY-UHFFFAOYSA-N	-1	3	695.216	7.761	1	30		KKEFHM
C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)cc1)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000027648233	561876206	/nfs/dbraw/zinc/87/62/06/561876206.db2.gz	FKSBYESEMYJJHL-KXUYPQTPSA-N	-1	3	543.708	5.596	1	30		KKEFHM
C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCc1ccc(-c2ccc(F)cc2)cc1)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000027648238	561876281	/nfs/dbraw/zinc/87/62/81/561876281.db2.gz	ZFQPFNFJKNLTIW-KFACBJOOSA-N	-1	3	547.671	5.345	1	30		KKEFHM
CC(C)c1ccccc1SC1=C([O-])O[C@@](CCCCC(=O)N2CCNCC2)(c2ccccc2)CC1=O	ZINC000027767188	561884816	/nfs/dbraw/zinc/88/48/16/561884816.db2.gz	WUOHYJRFUUNIBQ-GDLZYMKVSA-N	-1	3	508.684	5.506	1	30		KKEFHM
CC(C)c1ccccc1SC1=C([O-])C[C@](CCCCC(=O)N2CCNCC2)(c2ccccc2)OC1=O	ZINC000027767188	561884817	/nfs/dbraw/zinc/88/48/17/561884817.db2.gz	WUOHYJRFUUNIBQ-GDLZYMKVSA-N	-1	3	508.684	5.506	1	30		KKEFHM
COc1ccc([P@](=O)(OCCc2ccc(-c3ccccc3)cc2)N2Cc3ccccc3C[C@@H]2C(=O)N[O-])cc1	ZINC000028007074	561895781	/nfs/dbraw/zinc/89/57/81/561895781.db2.gz	PCAPSCAFNCUGDE-MFIBOOTFSA-N	-1	3	542.572	5.372	1	30		KKEFHM
O=C(OCc1ccccc1)N([O-])CCC#Cc1ccc(OCCCCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1	ZINC000028133733	561906197	/nfs/dbraw/zinc/90/61/97/561906197.db2.gz	LDPRUJUFFYEDJC-UHFFFAOYSA-N	-1	3	653.770	7.301	1	30	in-vivo	KKEFHM
COc1ccc(S(=O)(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2cccs2)C(=O)N[O-])cc1	ZINC000028236716	561909840	/nfs/dbraw/zinc/90/98/40/561909840.db2.gz	DWEHCHRUPXDJPZ-HXUWFJFHSA-N	-1	3	582.544	5.102	1	30		KKEFHM
COc1ccc(Oc2cccc([C@H](CC(=O)N[O-])S(=O)(=O)c3ccc(OC)c(OC4CCCC4)c3)c2)cc1	ZINC000029393114	562017985	/nfs/dbraw/zinc/01/79/85/562017985.db2.gz	OHZWWRAGTGIQOP-MHZLTWQESA-N	-1	3	541.622	5.228	1	30		KKEFHM
CCCCCCCCCCCCCCCCOc1c(OC)c(OC)cc2oc(-c3ccc([O-])c(O)c3)cc(=O)c21	ZINC000036241720	562051984	/nfs/dbraw/zinc/05/19/84/562051984.db2.gz	QMJPNYIXFIRYEB-UHFFFAOYSA-N	-1	3	554.724	8.749	1	30		KKEFHM
CCCCCCCCCCCCCCOc1c(OC)cc2oc(-c3ccc([O-])c(O)c3)cc(=O)c2c1OC	ZINC000036241671	562052021	/nfs/dbraw/zinc/05/20/21/562052021.db2.gz	RLTPZUSUQSRDNG-UHFFFAOYSA-N	-1	3	526.670	7.968	1	30		KKEFHM
CCCCCCCS(=O)(=O)N(CCC)CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1	ZINC000036247968	562052352	/nfs/dbraw/zinc/05/23/52/562052352.db2.gz	UIUBVBCFEDPSBT-XUEBXJBISA-N	-1	3	588.767	5.277	1	30		KKEFHM
CC(=O)N1c2cccc([O-])c2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(Oc2ccccc2)cc1Cl	ZINC000040881271	562082659	/nfs/dbraw/zinc/08/26/59/562082659.db2.gz	NUWZEYGRQJGLMU-NDEPHWFRSA-N	-1	3	502.998	7.001	1	30		KKEFHM
CC1(C)CC(=O)C2C(=Nc3c([O-])cccc3N(C(=O)c3cccc(F)n3)[C@H]2c2ccc(OCc3ccccc3)cc2F)C1	ZINC000042806315	562089514	/nfs/dbraw/zinc/08/95/14/562089514.db2.gz	YGWUKDVAGFGHCB-YTTGMZPUSA-N	-1	3	581.619	7.101	1	30		KKEFHM
CCCCCCCC/C=C/CCCCCCCC(=O)Oc1cc([O-])c2c(c1)O[C@@H](c1ccc(O)cc1)CC2=O	ZINC000043365890	562648077	/nfs/dbraw/zinc/64/80/77/562648077.db2.gz	PVJMICZIWYJLLA-DGTTVNNKSA-N	-1	3	536.709	8.747	1	30		KKEFHM
CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc([O-])c2C1=O	ZINC000043627803	562650286	/nfs/dbraw/zinc/65/02/86/562650286.db2.gz	NIZHNGWFJRFFBQ-DZWLFIIDSA-N	-1	3	552.752	8.709	1	30		KKEFHM
CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c([O-])ccc(O)c2C1=O	ZINC000043627803	562650287	/nfs/dbraw/zinc/65/02/87/562650287.db2.gz	NIZHNGWFJRFFBQ-DZWLFIIDSA-N	-1	3	552.752	8.709	1	30		KKEFHM
CC1(C)CC(=O)C2C(=Nc3c([O-])cccc3N(C(=O)c3ccccn3)[C@@H]2c2ccc(OCc3ccccc3)cc2F)C1	ZINC000044350835	562654398	/nfs/dbraw/zinc/65/43/98/562654398.db2.gz	NAKITUDSMWGHOD-JGCGQSQUSA-N	-1	3	563.629	6.962	1	30		KKEFHM
COc1cc(C(N=Nc2ccc(Cl)cc2)c2nc(-c3ccc(Cl)cc3)n[n-]c2=O)cc(OC)c1OC	ZINC000044430453	562657512	/nfs/dbraw/zinc/65/75/12/562657512.db2.gz	GYBIHNCVVJBOSZ-MWAVMZGNSA-N	-1	3	526.380	5.441	1	30		KKEFHM
O=C(OC[C@H]1O[C@@H](Oc2ccc(/C=N\[O-])cc2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000049695024	562670066	/nfs/dbraw/zinc/67/00/66/562670066.db2.gz	GTEKJYCMDWSNHB-FATJBFBYSA-N	-1	3	715.711	6.132	1	30		KKEFHM
C[C@@H](O[C@H]1CN2C(=O)[C@H](NCc3n[n-]nc3CN(C)C)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000049777774	562680516	/nfs/dbraw/zinc/68/05/16/562680516.db2.gz	HIICGKDBMNCMRY-MYOPAJIASA-N	-1	3	628.593	5.046	1	30		KKEFHM
N#Cc1c(N)nc(-c2ccc(N3C(=O)c4ccccc4NC34CCCCC4)cc2)cc1-c1ccccc1[O-]	ZINC000049807632	562686441	/nfs/dbraw/zinc/68/64/41/562686441.db2.gz	XPOPDXUCBAHBGW-UHFFFAOYSA-N	-1	3	501.590	6.308	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@]4(C)C[C@@H]([C@@H](O)[C@H](C)C(=O)[O-])O[C@@]4(O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049817205	562686785	/nfs/dbraw/zinc/68/67/85/562686785.db2.gz	UVWBKHSYPWQMOP-QQBSFUDMSA-N	-1	3	713.912	6.794	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@]4(C)C[C@@H]([C@@H](O)[C@H](C)C(=O)[O-])O[C@@]4(O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049817205	562686786	/nfs/dbraw/zinc/68/67/86/562686786.db2.gz	UVWBKHSYPWQMOP-QQBSFUDMSA-N	-1	3	713.912	6.794	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@](C)(C=CC=C(C)C(=O)NCCC(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049823316	562687184	/nfs/dbraw/zinc/68/71/84/562687184.db2.gz	HUSUTWRZGZUUEP-UFGLTACNSA-N	-1	3	750.977	7.690	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@](C)(C=CC=C(C)C(=O)NCCC(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049823316	562687185	/nfs/dbraw/zinc/68/71/85/562687185.db2.gz	HUSUTWRZGZUUEP-UFGLTACNSA-N	-1	3	750.977	7.690	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@@H](C5)CC[C@H]2[C@](C)(C=CC=C(CCC)C(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049863748	562689173	/nfs/dbraw/zinc/68/91/73/562689173.db2.gz	ITAYMVKASMKNTO-IPXCGRRKSA-N	-1	3	707.952	8.963	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@@H](C5)CC[C@H]2[C@](C)(C=CC=C(CCC)C(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049863748	562689174	/nfs/dbraw/zinc/68/91/74/562689174.db2.gz	ITAYMVKASMKNTO-IPXCGRRKSA-N	-1	3	707.952	8.963	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@@H](C5)CC[C@H]2[C@](C)(C=CC(C)=CC(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O	ZINC000049863781	562689238	/nfs/dbraw/zinc/68/92/38/562689238.db2.gz	WNDPKXCADIELCH-AVDQZUJDSA-N	-1	3	679.898	8.183	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@@H](C5)CC[C@H]2[C@](C)(C=CC(C)=CC(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O	ZINC000049863781	562689239	/nfs/dbraw/zinc/68/92/39/562689239.db2.gz	WNDPKXCADIELCH-AVDQZUJDSA-N	-1	3	679.898	8.183	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@](C)(C=CC(C)=CC(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049863784	562689254	/nfs/dbraw/zinc/68/92/54/562689254.db2.gz	WNDPKXCADIELCH-GSPBSQEWSA-N	-1	3	679.898	8.183	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@](C)(C=CC(C)=CC(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049863784	562689255	/nfs/dbraw/zinc/68/92/55/562689255.db2.gz	WNDPKXCADIELCH-GSPBSQEWSA-N	-1	3	679.898	8.183	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@](C)(C=CC=CC(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049863795	562689284	/nfs/dbraw/zinc/68/92/84/562689284.db2.gz	DVUZIAWNDGLJQF-JDVIFPFJSA-N	-1	3	665.871	7.793	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@](C)(C=CC=CC(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049863795	562689285	/nfs/dbraw/zinc/68/92/85/562689285.db2.gz	DVUZIAWNDGLJQF-JDVIFPFJSA-N	-1	3	665.871	7.793	1	30		KKEFHM
C=C(C)[C@@H]1CC[C@]2(C)C[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@H](C[C@@H](OC(=O)c4ccc([O-])c(OC)c4)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@@H]12	ZINC000049888814	562691474	/nfs/dbraw/zinc/69/14/74/562691474.db2.gz	BXULOPKZYSOQMM-RWUMXVMBSA-N	-1	3	712.968	9.410	1	30		KKEFHM
N#Cc1c([N-]C(=O)c2ccco2)nc(-c2ccc(F)cc2[O-])cc1-c1cccc(NC(=O)C[C@@H]2CCC[NH2+]2)c1	ZINC000053294651	562697255	/nfs/dbraw/zinc/69/72/55/562697255.db2.gz	RSYNYLIYCFUNTG-IBGZPJMESA-N	-1	3	525.540	5.058	1	30		KKEFHM
C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N/[O-])cc2)=C(c2ccc(Nc3ccccc3/C(N)=N/O)cc2)O1	ZINC000064380893	562704881	/nfs/dbraw/zinc/70/48/81/562704881.db2.gz	SXCXMCJSDIKSKJ-JGCGQSQUSA-N	-1	3	597.697	5.183	1	30		KKEFHM
C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N/[O-])cc2)=C(c2ccc(/C=C/c3ccc(/C(N)=N/O)cc3)cc2)O1	ZINC000064394285	562704938	/nfs/dbraw/zinc/70/49/38/562704938.db2.gz	GFKMVJVWDLYGEF-ZSKFLDLRSA-N	-1	3	608.720	5.610	1	30		KKEFHM
CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@@](C)(C(=O)N(C)[O-])CC[C@]4(C)CC[C@]23C)C1(C)C	ZINC000064527608	562707010	/nfs/dbraw/zinc/70/70/10/562707010.db2.gz	XVUQEBTVOCOFHZ-IREBYWSLSA-N	-1	3	540.789	6.319	1	30		KKEFHM
O=C(/C(=C\c1ccc(O)cc1[O-])S(=O)(=O)c1ccccc1Br)c1ccc(Br)cc1	ZINC000064564498	562708574	/nfs/dbraw/zinc/70/85/74/562708574.db2.gz	PCKCPNVMKQMEEY-RGVLZGJSSA-N	-1	3	538.213	5.321	1	30		KKEFHM
[O-]c1ccccc1/C=N\n1c(SCCSc2nnc(-c3cccnc3)n2/N=C\c2ccccc2O)nnc1-c1cccnc1	ZINC000066259185	562715220	/nfs/dbraw/zinc/71/52/20/562715220.db2.gz	GCYBEVWZKLIRER-NBDJWBGESA-N	-1	3	620.724	5.054	1	30		KKEFHM
C=C(C)[C@H](C)c1cc(C(=O)/C=C/c2cc(Br)c(O[C@@H]3CCCCO3)cc2[O-])ccc1OC	ZINC000071334675	562719613	/nfs/dbraw/zinc/71/96/13/562719613.db2.gz	LYOJJHXOAUWTNC-MSXINDPOSA-N	-1	3	501.417	6.644	1	30		KKEFHM
COc1ccc(/C=C/C(=O)C(=Cc2ccc([O-])cc2)C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OC	ZINC000072109229	562721558	/nfs/dbraw/zinc/72/15/58/562721558.db2.gz	PXWYPENVWKFWEB-FNCQTZNRSA-N	-1	3	500.547	5.375	1	30		KKEFHM
NS(=O)(=O)c1ccc(N2c3nc(-c4ccc(Br)cc4)[n-]c(=O)c3[C@H](c3ccc(Cl)cc3Cl)C3=C2CCCC3=O)cc1	ZINC000072123696	562724861	/nfs/dbraw/zinc/72/48/61/562724861.db2.gz	PSVQAKWDLCSXQS-XMMPIXPASA-N	-1	3	672.388	6.857	1	30		KKEFHM
CC(C)CN(c1ccc([C@]([O-])(C#Cc2ccccc2)C(F)(F)F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000084687790	562749007	/nfs/dbraw/zinc/74/90/07/562749007.db2.gz	OPWASPRJSUBIAP-RUZDIDTESA-N	-1	3	556.433	6.646	1	30		KKEFHM
CC1(C)[C@]2(C)C[C@@]1(C)[C@@H](CS(=O)(=O)[N-]C(=O)c1ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc1)CC2	ZINC000084688627	562749223	/nfs/dbraw/zinc/74/92/23/562749223.db2.gz	YAIFIQIAZOILGN-QJFUKTLSSA-N	-1	3	634.286	7.816	1	30		KKEFHM
CC(C)CN(c1ccc([C@]([O-])(C#Cc2ccc(S(=O)(=O)C(F)(F)F)cc2)C(F)(F)F)cc1)S(=O)(=O)c1cccc(C#N)c1	ZINC000084709667	562750343	/nfs/dbraw/zinc/75/03/43/562750343.db2.gz	SDOPOZOIFATKAJ-AREMUKBSSA-N	-1	3	644.615	5.505	1	30		KKEFHM
CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]C(=O)c1ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc1)C(=O)C2	ZINC000084732048	562751751	/nfs/dbraw/zinc/75/17/51/562751751.db2.gz	YJLDKNZQDIPLRH-FOPBOCKXSA-N	-1	3	620.215	6.359	1	30		KKEFHM
COc1ccc(OC)c(/C=C/C(=O)C(=Cc2ccc([O-])c(OC)c2)C(=O)/C=C/c2cc(OC)ccc2OC)c1	ZINC000084758891	562752752	/nfs/dbraw/zinc/75/27/52/562752752.db2.gz	DLHLHDHHRHAHDF-INOXDZRUSA-N	-1	3	530.573	5.384	1	30		KKEFHM
COc1cc(C=C(C(=O)/C=C/c2cccc(OC)c2OC)C(=O)/C=C/c2cccc(OC)c2OC)ccc1[O-]	ZINC000084759571	562753018	/nfs/dbraw/zinc/75/30/18/562753018.db2.gz	QQGXBYQNXUONOC-DISAMGIASA-N	-1	3	530.573	5.384	1	30		KKEFHM
COc1ccc(CCN(CCC(=O)N[O-])S(=O)(=O)c2ccc(NC(=O)N(c3ccccc3)c3ccccc3)cc2)cc1	ZINC000095560367	562763045	/nfs/dbraw/zinc/76/30/45/562763045.db2.gz	RKHCBMZTQAKPLF-UHFFFAOYSA-N	-1	3	588.686	5.194	1	30		KKEFHM
O=C(CCCCC[C@H]1c2nc(Cc3ccccc3)c(o2)[C@@H](Cc2ccccc2)CCn2cc(nn2)CCCN1Cc1ccccc1)N[O-]	ZINC000095562358	562763692	/nfs/dbraw/zinc/76/36/92/562763692.db2.gz	JPFZLPCINWHUKQ-ILFWFZRHSA-N	-1	3	646.836	7.219	1	30		KKEFHM
CC(C)N1CC(n2nccc2-c2cc(Cl)ccc2Oc2ccc(S(=O)(=O)[N-]c3cscn3)cc2C#N)C1	ZINC000095583111	562772813	/nfs/dbraw/zinc/77/28/13/562772813.db2.gz	ZCYBDVYHGHYXRA-UHFFFAOYSA-N	-1	3	555.085	5.390	1	30		KKEFHM
N#Cc1cc(S(=O)(=O)[N-]c2ncns2)ccc1Oc1ccc(C(F)(F)F)cc1-c1cccc(CN2CC[C@@H](O)C2)c1	ZINC000095585602	562773655	/nfs/dbraw/zinc/77/36/55/562773655.db2.gz	ARZVFLDZHIIOCM-OAQYLSRUSA-N	-1	3	601.632	5.255	1	30		KKEFHM
CN(C)CCn1nc(C(F)(F)F)cc1-c1cccc(Oc2ccc(S(=O)(=O)[N-]c3nccs3)cc2C#N)c1	ZINC000095585869	562773735	/nfs/dbraw/zinc/77/37/35/562773735.db2.gz	NRXBYNUFPLVXJR-UHFFFAOYSA-N	-1	3	562.599	5.052	1	30		KKEFHM
CN(C/C(=N\OCCCS(=O)(=O)[O-])[C@H](CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1	ZINC000095606163	562781915	/nfs/dbraw/zinc/78/19/15/562781915.db2.gz	AEJFLHAKYANRRV-GANGTWLCSA-N	-1	3	750.573	6.674	1	30		KKEFHM
C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Oc1cc(Br)c([O-])c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2	ZINC000096284099	562795094	/nfs/dbraw/zinc/79/50/94/562795094.db2.gz	CKOAXTRPVVJVKO-GGBXHWPASA-N	-1	3	709.586	5.937	1	30		KKEFHM
C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCc1cccc(C(F)(F)F)c1)c1ccc([N-]S(C)(=O)=O)c(F)c1	ZINC000096286061	562796018	/nfs/dbraw/zinc/79/60/18/562796018.db2.gz	KMECXDVTQRTBNN-CQSZACIVSA-N	-1	3	609.589	6.342	1	30		KKEFHM
COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccccc3OCCCCCCC(=O)N[O-])[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000096286408	562796154	/nfs/dbraw/zinc/79/61/54/562796154.db2.gz	MANNQXGOGDCTLP-KCZUQOQJSA-N	-1	3	634.682	5.061	1	30		KKEFHM
CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\[O-])C[C@@H]12)c1ccc(F)cc1	ZINC000096932709	562803510	/nfs/dbraw/zinc/80/35/10/562803510.db2.gz	ZVCUCJIQZAMDEY-RPNNYWJASA-N	-1	3	631.751	7.551	1	30		KKEFHM
CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\[O-])C[C@@H]12)c1ccccc1OC	ZINC000096932703	562803517	/nfs/dbraw/zinc/80/35/17/562803517.db2.gz	MJJHKEQBZWDTNE-PCBDYTHVSA-N	-1	3	643.787	7.420	1	30		KKEFHM
CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\[O-])C[C@@H]12)c1ccccc1F	ZINC000096932711	562803528	/nfs/dbraw/zinc/80/35/28/562803528.db2.gz	FTBARIGNSACWMH-RPNNYWJASA-N	-1	3	631.751	7.551	1	30		KKEFHM
CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\[O-])C[C@@H]12)c1ccc2ccccc2c1	ZINC000096935437	562804104	/nfs/dbraw/zinc/80/41/04/562804104.db2.gz	HGCPUSDGBXMLEN-UNBKHKIUSA-N	-1	3	663.821	8.565	1	30		KKEFHM
CC(C)=CCC1=C([O-])[C@@]2(C(=O)c3ccccc3)C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C1=O)C2=O	ZINC000103011343	562814033	/nfs/dbraw/zinc/81/40/33/562814033.db2.gz	LYKKUBCDLBAZIM-NRMCGMLCSA-N	-1	3	502.695	7.921	1	30		KKEFHM
CC(C)=CCC1=C([O-])[C@@]2(CC=C(C)C)C(=O)[C@](C(=O)c3ccccc3)(C[C@@H](CC=C(C)C)C2(C)C)C1=O	ZINC000103011343	562814034	/nfs/dbraw/zinc/81/40/34/562814034.db2.gz	LYKKUBCDLBAZIM-NRMCGMLCSA-N	-1	3	502.695	7.921	1	30		KKEFHM
Cc1cc2c(C#N)c(-c3ccc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)cn3)n(C3CCC3)c2cc1OC(F)F	ZINC000103270481	562822924	/nfs/dbraw/zinc/82/29/24/562822924.db2.gz	BQWFTDVRKLGLSK-ZDUSSCGKSA-N	-1	3	528.503	5.439	1	30		KKEFHM
CSc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)cn1)n2C1CCC1	ZINC000103270500	562822959	/nfs/dbraw/zinc/82/29/59/562822959.db2.gz	JIGDTPXFRKSYPT-LBPRGKRZSA-N	-1	3	512.554	5.390	1	30		KKEFHM
Cc1cc(Cl)cnc1N[C@@H](c1ccc2cccnc2c1[O-])c1c(F)c(F)c(OCC(F)(F)F)c(F)c1F	ZINC000149365069	562842662	/nfs/dbraw/zinc/84/26/62/562842662.db2.gz	DJRVQLYQYXYHOA-FQEVSTJZSA-N	-1	3	545.842	6.996	1	30		KKEFHM
C[C@H](NC(=O)[C@H](NC(=O)[C@@H](CCCc1ccc(-c2ccccc2)c(Cl)c1)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000165123902	562849856	/nfs/dbraw/zinc/84/98/56/562849856.db2.gz	LOAUOKWVGGODSI-PJISXUAISA-N	-1	3	578.153	6.250	1	30		KKEFHM
CC(=O)N1c2ccc(-c3ccc(NC(=O)CCCCCCC(=O)N[O-])cc3)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C	ZINC000169324311	562857316	/nfs/dbraw/zinc/85/73/16/562857316.db2.gz	JLNZMTDBARFXJN-RXFWQSSRSA-N	-1	3	552.672	5.459	1	30	in-vitro	KKEFHM
CC(C)(C)c1ccc2[n-]cc(C(=O)Nc3ccc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc3)c(=O)c2c1	ZINC000299838971	562888073	/nfs/dbraw/zinc/88/80/73/562888073.db2.gz	ROQQGMLBASJFIH-UHFFFAOYSA-N	-1	3	538.410	7.415	1	30		KKEFHM
CC(C)(C)c1ccc2ncc(C(=O)Nc3ccc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc3)c([O-])c2c1	ZINC000299838971	562888074	/nfs/dbraw/zinc/88/80/74/562888074.db2.gz	ROQQGMLBASJFIH-UHFFFAOYSA-N	-1	3	538.410	7.415	1	30		KKEFHM
CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2cnc3ccc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc3c2[O-])cc1O	ZINC000299841392	562888882	/nfs/dbraw/zinc/88/88/82/562888882.db2.gz	ZPAFLWZJLSPIAP-UHFFFAOYSA-N	-1	3	610.517	8.418	1	30		KKEFHM
[O-]C(C1=C(NNC2=C(C(O)(C(F)(F)Cl)C(F)(F)Cl)CCC2)CCC1)(C(F)(F)Cl)C(F)(F)Cl	ZINC000299844271	562889259	/nfs/dbraw/zinc/88/92/59/562889259.db2.gz	FAYSHFCADZNKIX-UBGPSYSGSA-N	-1	3	562.112	6.172	1	30		KKEFHM
COc1ccc(C(=O)/C=C/c2cc(/C=N/c3nc(-c4ccc(OC)cc4)cs3)c([O-])c(C(C)(C)C)c2)cc1	ZINC000473089708	562897432	/nfs/dbraw/zinc/89/74/32/562897432.db2.gz	SPQZCYBTWGDENT-BEBIJSHYSA-N	-1	3	526.658	7.477	1	30		KKEFHM
Cc1cc([O-])c2c(c1)[C@H]1OC(=O)[C@H](Cc3ccc(NC(=O)COc4ccc5ccccc5c4)cc3)N1C1=C2C(=O)c2cccc(O[C@H]3C[C@@H](O)[C@@H](O)[C@H](C)O3)c2C1=O	ZINC000473121999	562899453	/nfs/dbraw/zinc/89/94/53/562899453.db2.gz	IMROACHYBVZGDE-OBKQNLMESA-N	-1	3	782.802	5.379	1	30		KKEFHM
COc1ncc(-c2ccc3nccc(C#CCN4CCCC[C@H]4C)c3c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1F	ZINC000653691236	562906750	/nfs/dbraw/zinc/90/67/50/562906750.db2.gz	MAYAWDJAGLJSLO-HXUWFJFHSA-N	-1	3	562.642	5.610	1	30		KKEFHM
C=CCc1ccc([O-])c(-c2cc(CC=C)ccc2OC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c1	ZINC000653706682	562907852	/nfs/dbraw/zinc/90/78/52/562907852.db2.gz	BYQNLKGHLFHBFG-QHCPKHFHSA-N	-1	3	502.610	7.456	1	30		KKEFHM
CCCCN([O-])C(=O)CCCCCCCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12	ZINC000653751515	562910643	/nfs/dbraw/zinc/91/06/43/562910643.db2.gz	FNCKADBCRQFOPH-XEXYCPDTSA-N	-1	3	527.790	7.754	1	30		KKEFHM
CCCCCCCCCC[NH2+][C@@H](c1cc(Br)ccc1[O-])C1=C([O-])c2ccccc2C(=O)C1=O	ZINC000653864012	562916136	/nfs/dbraw/zinc/91/61/36/562916136.db2.gz	CFJNUDIVPMUIBJ-DEOSSOPVSA-N	-1	3	514.460	6.817	1	30		KKEFHM
COc1cc(CCC[C@H](CC(=O)N[O-])C(=O)N[C@@H](C(=O)N[C@H](C)c2ccccc2)C(C)(C)C)ccc1-c1ccccc1	ZINC000653837917	562914781	/nfs/dbraw/zinc/91/47/81/562914781.db2.gz	PCGCWQHPTVXXQZ-VDALTMKYSA-N	-1	3	573.734	5.605	1	30		KKEFHM
CCCCCCCCCC[NH2+][C@@H](c1cc(Br)ccc1[O-])C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000653864012	562916137	/nfs/dbraw/zinc/91/61/37/562916137.db2.gz	CFJNUDIVPMUIBJ-DEOSSOPVSA-N	-1	3	514.460	6.817	1	30		KKEFHM
CCC[C@H]([C@H](O)CCO)[C@H]1C[C@H]2C(=O)C=C([O-])CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3)C#C[C@H]2C[C@@H](Cc2ccnc(N)c2)C1	ZINC000085631396	565164357	/nfs/dbraw/zinc/16/43/57/565164357.db2.gz	OKUMPZXUTAPMFB-SEWGJSDVSA-N	-1	3	666.859	6.039	1	30	biogenic,in-vitro	KKEFHM
CCC[C@H]([C@H](O)CCO)[C@H]1C[C@H]2C([O-])=CC(=O)CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3)C#C[C@H]2C[C@@H](Cc2ccnc(N)c2)C1	ZINC000085631396	565164363	/nfs/dbraw/zinc/16/43/63/565164363.db2.gz	OKUMPZXUTAPMFB-SEWGJSDVSA-N	-1	3	666.859	6.039	1	30	biogenic,in-vitro	KKEFHM
CCCCC[C@H]1[C@H]([C@H](CO)CCC)C[C@@H](Cc2ccnc(N)c2)C[C@H]2C#C[C@@H](c3ccccc3)c3cc(O)c(OC)cc3CCC([O-])=CC(=O)[C@H]21	ZINC000085631503	565164525	/nfs/dbraw/zinc/16/45/25/565164525.db2.gz	AMEIDSRJRNSDBS-OYYDFJEKSA-N	-1	3	692.941	8.094	1	30	biogenic,in-vitro	KKEFHM
CCCCC[C@H]1[C@H]([C@H](CO)CCC)C[C@@H](Cc2ccnc(N)c2)C[C@H]2C#C[C@@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)C=C([O-])[C@H]21	ZINC000085631503	565164527	/nfs/dbraw/zinc/16/45/27/565164527.db2.gz	AMEIDSRJRNSDBS-OYYDFJEKSA-N	-1	3	692.941	8.094	1	30	biogenic,in-vitro	KKEFHM
COc1cc2c(cc1O)[C@@H](c1ccccc1)C#C[C@@H]1C[C@@H](Cc3ccnc(N)c3)C[C@H](CCCC3CCCCC3)C[C@H]1C(=O)C=C([O-])CC2	ZINC000085631541	565165177	/nfs/dbraw/zinc/16/51/77/565165177.db2.gz	OXAZOFQKWYYCHI-FKKXXVHGSA-N	-1	3	660.899	8.630	1	30	biogenic,in-vitro	KKEFHM
COc1cc2c(cc1O)[C@@H](c1ccccc1)C#C[C@@H]1C[C@@H](Cc3ccnc(N)c3)C[C@H](CCCC3CCCCC3)C[C@H]1C([O-])=CC(=O)CC2	ZINC000085631541	565165183	/nfs/dbraw/zinc/16/51/83/565165183.db2.gz	OXAZOFQKWYYCHI-FKKXXVHGSA-N	-1	3	660.899	8.630	1	30	biogenic,in-vitro	KKEFHM
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H]1C[C@H](n2cc(F)c(=O)[n-]c2=O)O[C@@H]1CO[P@@](=O)([O-])OCC[N+](C)(C)C	ZINC000067923490	717133148	/nfs/dbraw/zinc/13/31/48/717133148.db2.gz	JLGWAGKPIWGUEH-NGLMKZPHSA-O	-1	3	676.784	5.752	1	30		KKEFHM
C/C=C1/C[C@@H](c2ccc(CCCCC)c(CO)c2)C#C[C@H]2CC(=O)Oc3cc([O-])c(cc32)C[C@H]([C@]2(O)CCC[C@@H]3CC(=O)CC[C@@H]32)OC1=O	ZINC000085571709	291887012	/nfs/dbraw/zinc/88/70/12/291887012.db2.gz	YFUMRBAQMCQFQI-ADKWMCCVSA-N	-1	3	668.827	6.502	1	30	biogenic,in-vitro	KKEFHM
CC(C)CN([C@H](CCSCc1ccccc1)C(=O)N[O-])S(=O)(=O)c1ccc(-c2ccccc2)cc1	ZINC000011688546	561709886	/nfs/dbraw/zinc/70/98/86/561709886.db2.gz	MVTUAPMXVXQWFM-AREMUKBSSA-N	-1	3	512.697	5.198	1	30		KKEFHM
N#Cc1ccc(-c2ccc(C(=O)N3Cc4c([n-]c5ccccc5c4=O)[C@H]3c3ccc4c(c3)OCO4)o2)cc1	ZINC000013493105	561716538	/nfs/dbraw/zinc/71/65/38/561716538.db2.gz	ZQMKDSDNZMGXPC-MUUNZHRXSA-N	-1	3	501.498	5.134	1	30		KKEFHM
CCCCCCCCCCCCn1nnc([C@H](C)S(=O)(=O)[N-]c2c(C(C)C)cccc2C(C)C)n1	ZINC000014277162	561738827	/nfs/dbraw/zinc/73/88/27/561738827.db2.gz	QIRBCFWQUANVEL-QHCPKHFHSA-N	-1	3	505.773	7.344	1	30		KKEFHM
CCCCCCCCCCCCn1nnc([C@H](Cc2ccccc2)S(=O)(=O)[N-]c2c(C(C)C)cccc2C(C)C)n1	ZINC000014277130	561738840	/nfs/dbraw/zinc/73/88/40/561738840.db2.gz	HDAPCIUJACKUQL-HKBQPEDESA-N	-1	3	581.871	8.567	1	30		KKEFHM
CCCCc1nc(Cl)c(C=NNS(=O)(=O)c2ccccc2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1	ZINC000026572687	561798447	/nfs/dbraw/zinc/79/84/47/561798447.db2.gz	DMLPOODLARZABP-UXHLAJHPSA-N	-1	3	575.098	5.087	1	30		KKEFHM
CCCCc1nc(Cl)c(C=NNS(=O)(=O)c2ccccc2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1	ZINC000026572687	561798449	/nfs/dbraw/zinc/79/84/49/561798449.db2.gz	DMLPOODLARZABP-UXHLAJHPSA-N	-1	3	575.098	5.087	1	30		KKEFHM
CCCCCN(CC(=O)N[O-])C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1	ZINC000026716423	561814235	/nfs/dbraw/zinc/81/42/35/561814235.db2.gz	JPXVSGRVNQTELH-UHFFFAOYSA-N	-1	3	546.668	5.470	1	30		KKEFHM
CCC[C@H](C)N(CC(=O)N[O-])C(=O)CN(C(=O)Nc1ccc2ccccc2c1)[C@@H]1CCCc2ccccc21	ZINC000026717165	561814331	/nfs/dbraw/zinc/81/43/31/561814331.db2.gz	JDAADLBCXSWLIJ-KDYSTLNUSA-N	-1	3	516.642	5.274	1	30		KKEFHM
O=C(CN(CCCCc1ccccc1)C(=O)CN(CCCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)N[O-]	ZINC000026717308	561814357	/nfs/dbraw/zinc/81/43/57/561814357.db2.gz	QIBKFCGQDQXRPZ-UHFFFAOYSA-N	-1	3	622.766	6.693	1	30		KKEFHM
CCCCc1nnc(SCc2ccc(Cl)cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cc1	ZINC000027716319	561880303	/nfs/dbraw/zinc/88/03/03/561880303.db2.gz	AFNFXTCZKDGUEX-UHFFFAOYSA-N	-1	3	559.099	6.431	1	30		KKEFHM
CCCCc1nnc(SCc2ccc(Cl)cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cc1	ZINC000027716319	561880304	/nfs/dbraw/zinc/88/03/04/561880304.db2.gz	AFNFXTCZKDGUEX-UHFFFAOYSA-N	-1	3	559.099	6.431	1	30		KKEFHM
CN(C/C(=N\OCC(=O)[O-])[C@H](CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1	ZINC000027987540	561892535	/nfs/dbraw/zinc/89/25/35/561892535.db2.gz	KYEAUAKSYSOFSP-OLXWABNZSA-N	-1	3	686.464	6.480	1	30		KKEFHM
CC[C@@H](c1ccccc1)[C@@H](c1ccc(O)cc1)c1ccc(OCCN(C)CCOCCOCCO/N=C/c2ccc([O-])c(C(N)=O)c2)cc1	ZINC000028224423	561907719	/nfs/dbraw/zinc/90/77/19/561907719.db2.gz	BNHPIVFPOYQMFP-CJKBXJJPSA-N	-1	3	669.819	5.917	1	30		KKEFHM
Cc1nnc2n1-c1sc(C#CCn3c(=O)c4ccccc4c4ccccc43)cc1C(c1cc([O-])ccc1Cl)=NC2	ZINC000028227191	561908368	/nfs/dbraw/zinc/90/83/68/561908368.db2.gz	PCONRWPLDUGBPX-UHFFFAOYSA-N	-1	3	562.054	5.482	1	30		KKEFHM
C[C@@]1(CCCC2CCCCC2)c2ccccc2C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O	ZINC000029131138	562002893	/nfs/dbraw/zinc/00/28/93/562002893.db2.gz	RHVVSBKUUYEASL-MUUNZHRXSA-N	-1	3	571.721	5.131	1	30		KKEFHM
C[C@@]1(CCCC2CCCCC2)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000029131138	562002895	/nfs/dbraw/zinc/00/28/95/562002895.db2.gz	RHVVSBKUUYEASL-MUUNZHRXSA-N	-1	3	571.721	5.131	1	30		KKEFHM
N#Cc1c([N-]C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)sc2c1C[C@@H](c1ccc(O)cc1)CC2	ZINC000029132704	562003401	/nfs/dbraw/zinc/00/34/01/562003401.db2.gz	OGMCFUGKYKHGSN-INIZCTEOSA-N	-1	3	592.526	5.178	1	30		KKEFHM
CC(C)(C)COc1cc(C(C)(C)C)ccc1CNC(=S)NCc1ccc([N-]S(C)(=O)=O)c(F)c1	ZINC000029404973	562020395	/nfs/dbraw/zinc/02/03/95/562020395.db2.gz	HJGAZEZOYHABKE-UHFFFAOYSA-N	-1	3	509.713	5.495	1	30		KKEFHM
COc1ccc(S(=O)(=O)[C@@H](CC(=O)N[O-])c2cccc(OCc3ccccc3)c2)cc1OC1CCCC1	ZINC000029391285	562017396	/nfs/dbraw/zinc/01/73/96/562017396.db2.gz	UBTDNVISINZMMM-MHZLTWQESA-N	-1	3	525.623	5.006	1	30		KKEFHM
CCCCCCCCCCCCCCc1c(=O)c2c(cc(OC)c(OC)c2OC)oc1-c1ccc([O-])c(O)c1	ZINC000036222845	562051734	/nfs/dbraw/zinc/05/17/34/562051734.db2.gz	AWLDXQIAINFOQK-UHFFFAOYSA-N	-1	3	540.697	8.141	1	30		KKEFHM
C[C@@H](O[C@H]1CC[C@@H](N(C)Cc2n[nH]c(=O)[n-]2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000036324395	562055392	/nfs/dbraw/zinc/05/53/92/562055392.db2.gz	PLGYHEQJCJPPSA-SINHWUCRSA-N	-1	3	546.487	5.799	1	30		KKEFHM
CC(=O)N1c2cccc([O-])c2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(OCc2ccccc2)cc1Cl	ZINC000040880728	562082641	/nfs/dbraw/zinc/08/26/41/562082641.db2.gz	VZBRCRRODKYBEF-GDLZYMKVSA-N	-1	3	517.025	6.788	1	30		KKEFHM
O=C(Nc1ccc(CCc2nnn[n-]2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000043443108	562648527	/nfs/dbraw/zinc/64/85/27/562648527.db2.gz	MXGPPCLQIYELFC-UHFFFAOYSA-N	-1	3	585.271	5.298	1	30		KKEFHM
O=C(Nc1ccc(CCc2nn[n-]n2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000043443108	562648528	/nfs/dbraw/zinc/64/85/28/562648528.db2.gz	MXGPPCLQIYELFC-UHFFFAOYSA-N	-1	3	585.271	5.298	1	30		KKEFHM
O=C(Nc1ccccc1[O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000044005285	562651441	/nfs/dbraw/zinc/65/14/41/562651441.db2.gz	JNKWOIIKZMNNSZ-UHFFFAOYSA-N	-1	3	505.177	5.705	1	30		KKEFHM
Cc1cc(COc2ccc(S(=O)(=O)C3(C(=O)N[O-])CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2)c2ccccc2n1	ZINC000044306356	562653724	/nfs/dbraw/zinc/65/37/24/562653724.db2.gz	AAVVXYJNWGIBPT-UHFFFAOYSA-N	-1	3	614.551	5.743	1	30		KKEFHM
O=C(CN1CCCCC1)Nc1cc(COC(=O)CCCCC2=CC(=O)c3cccc([O-])c3C2=O)cc(Nc2ccnc3ccc(Cl)cc32)c1	ZINC000049669740	562668153	/nfs/dbraw/zinc/66/81/53/562668153.db2.gz	DVLBSXZMDDLMEL-UHFFFAOYSA-N	-1	3	681.189	7.371	1	30		KKEFHM
CCCCCCCCCCCC(=O)Oc1cc([O-])c2c(c1)O[C@H](c1ccc3c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@H](CO)O3)[C@@H](O)C2=O	ZINC000049682995	562669239	/nfs/dbraw/zinc/66/92/39/562669239.db2.gz	JWORRUYJWRDLNJ-GFKNBCHZSA-N	-1	3	664.748	6.483	1	30		KKEFHM
CC(C)(C)[C@@H](Nc1ccc(C#N)c2ccccc12)C(=O)NC1(Cc2ccc([O-])c(Br)c2)CCCC1	ZINC000049745266	562673762	/nfs/dbraw/zinc/67/37/62/562673762.db2.gz	GVAITLJCUQOONO-SANMLTNESA-N	-1	3	534.498	6.678	1	30		KKEFHM
O=C(Nc1ccc(Cc2nnn[n-]2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000049772032	562678559	/nfs/dbraw/zinc/67/85/59/562678559.db2.gz	KCHOFZXNHSODSL-UHFFFAOYSA-N	-1	3	621.251	5.738	1	30		KKEFHM
O=C(Nc1ccc(Cc2nn[n-]n2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000049772032	562678560	/nfs/dbraw/zinc/67/85/60/562678560.db2.gz	KCHOFZXNHSODSL-UHFFFAOYSA-N	-1	3	621.251	5.738	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@@H](C5)CC[C@H]2[C@](C)(C=CC=C(CC)C(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O	ZINC000049803999	562686287	/nfs/dbraw/zinc/68/62/87/562686287.db2.gz	KVJHZYMACRMECF-MPFXSCHOSA-N	-1	3	693.925	8.573	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@@H](C5)CC[C@H]2[C@](C)(C=CC=C(CC)C(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O	ZINC000049803999	562686288	/nfs/dbraw/zinc/68/62/88/562686288.db2.gz	KVJHZYMACRMECF-MPFXSCHOSA-N	-1	3	693.925	8.573	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@](C)(C=CC=C(CCC)C(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049863750	562689229	/nfs/dbraw/zinc/68/92/29/562689229.db2.gz	ITAYMVKASMKNTO-JRHHATFTSA-N	-1	3	707.952	8.963	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@](C)(C=CC=C(CCC)C(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049863750	562689230	/nfs/dbraw/zinc/68/92/30/562689230.db2.gz	ITAYMVKASMKNTO-JRHHATFTSA-N	-1	3	707.952	8.963	1	30		KKEFHM
CCCCCCCCCCCC(=O)c1c([O-])c(C)c(O)c(C(=O)CCCCCCCCCCC)c1O	ZINC000049872165	562689780	/nfs/dbraw/zinc/68/97/80/562689780.db2.gz	BVIACUNLZKXFJC-UHFFFAOYSA-N	-1	3	504.752	9.319	1	30		KKEFHM
Cc1cc(C)c(CN[C@]2(CCC(C)(C)C)c3ccccc3C(=O)C(C3=NS(=O)(=O)c4cc(NS(C)(=O)=O)ccc4[N-]3)C2=O)c(C)c1	ZINC000049889132	562691795	/nfs/dbraw/zinc/69/17/95/562691795.db2.gz	ZSWLKWVVIOMROC-UUWRZZSWSA-N	-1	3	664.850	5.859	1	30		KKEFHM
CC[C@@H](CC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3[O-])nc([N-]C(=O)c3ccco3)c2C#N)c1)[NH+](CC)CC	ZINC000053299145	562697545	/nfs/dbraw/zinc/69/75/45/562697545.db2.gz	BXTVJJPJKSYGAH-QHCPKHFHSA-N	-1	3	569.637	6.426	1	30		KKEFHM
CCCCCCCC(=O)O[C@H](O[P@](=O)([O-])CN[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCC(=O)OCC)C(C)C	ZINC000058513486	562698491	/nfs/dbraw/zinc/69/84/91/562698491.db2.gz	TYFAEZZYCWIAOO-CYTLCNBWSA-N	-1	3	632.735	5.969	1	30		KKEFHM
CC(C)(C)CC[C@@]1(NCc2ccc(-c3ccccc3)cc2)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000058553954	562699250	/nfs/dbraw/zinc/69/92/50/562699250.db2.gz	SMRSETDCEFPKHF-DIPNUNPCSA-N	-1	3	698.867	6.601	1	30		KKEFHM
C=C(C)[C@@H](CC=C(C)C)C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@]3(C=CC(C)(C)OC3=C(C(=O)c3cccc([O-])c3)C1=O)C2=O	ZINC000059205167	562701861	/nfs/dbraw/zinc/70/18/61/562701861.db2.gz	QHEPVTQOFRHZAJ-SMDXAGPFSA-N	-1	3	584.797	8.660	1	30		KKEFHM
C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N/[O-])cc2)=C(c2ccc(Nc3ccc(/C(N)=N/O)cc3)cc2)O1	ZINC000064361560	562704829	/nfs/dbraw/zinc/70/48/29/562704829.db2.gz	RBJXAJZPNPXNKT-YTTGMZPUSA-N	-1	3	597.697	5.183	1	30		KKEFHM
C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C=C/c3ccc(/C(N)=N/O)cc3)cc2)=C(c2ccc(/C(N)=N/[O-])cc2)O1	ZINC000064379465	562704925	/nfs/dbraw/zinc/70/49/25/562704925.db2.gz	FGCONEKIELJBFC-XELAAWKGSA-N	-1	3	608.720	5.610	1	30		KKEFHM
C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N/[O-])cc2)=C(c2ccc(Nc3ccccc3/C(N)=N/O)cc2)O1	ZINC000064380892	562704927	/nfs/dbraw/zinc/70/49/27/562704927.db2.gz	SXCXMCJSDIKSKJ-YTTGMZPUSA-N	-1	3	597.697	5.183	1	30		KKEFHM
O=C(N[O-])c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1	ZINC000066251223	562714417	/nfs/dbraw/zinc/71/44/17/562714417.db2.gz	ZMYUKKKHJVNBAM-UHFFFAOYSA-N	-1	3	504.905	6.124	1	30		KKEFHM
C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N\[O-])cc2)=C(c2ccc(Br)cc2)O1	ZINC000072170852	562730401	/nfs/dbraw/zinc/73/04/01/562730401.db2.gz	BBOXVVRLKNSHBN-RUZDIDTESA-N	-1	3	527.440	5.108	1	30		KKEFHM
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C/C=C/[C@]([O-])(C(C)(F)F)C(F)(F)F)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1F	ZINC000084635158	562746107	/nfs/dbraw/zinc/74/61/07/562746107.db2.gz	ALXSXXXETIDKKV-CNHLKRBHSA-N	-1	3	606.732	8.557	1	30		KKEFHM
CS(=O)(=O)c1ccc(C#C[C@@]([O-])(c2ccc(N(CCC(F)(F)F)S(=O)(=O)c3ccccc3)cc2)C(F)(F)F)cc1	ZINC000084690267	562749550	/nfs/dbraw/zinc/74/95/50/562749550.db2.gz	ABXFBIHMTMSADH-XMMPIXPASA-N	-1	3	605.578	5.039	1	30		KKEFHM
C[C@H](C(=O)N[O-])N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000095558088	562762379	/nfs/dbraw/zinc/76/23/79/562762379.db2.gz	BNMHWGJBZGPFLG-SSDOTTSWSA-N	-1	3	721.342	5.587	1	30		KKEFHM
C[C@H](C(=O)[O-])c1ccc([C@H](c2ccc(F)cc2)N2CCC(C(F)(F)F)CC2)c(-c2ccc(C(F)(F)F)cc2)c1	ZINC000095558703	562762488	/nfs/dbraw/zinc/76/24/88/562762488.db2.gz	DAXUHCFVRMWEHX-QLXKLKPCSA-N	-1	3	553.518	8.063	1	30		KKEFHM
CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCOc1cc([O-])c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O	ZINC000095559725	562762886	/nfs/dbraw/zinc/76/28/86/562762886.db2.gz	SBRXFYVCBQHUBV-UHFFFAOYSA-O	-1	3	622.911	9.679	1	30		KKEFHM
O=C([O-])Cc1ccc([C@H](c2ccc(F)cc2)N2CCC(C(F)(F)F)CC2)c(-c2ccc(C(F)(F)F)cc2)c1	ZINC000095560462	562763074	/nfs/dbraw/zinc/76/30/74/562763074.db2.gz	UIZISIKYYZHFEB-SANMLTNESA-N	-1	3	539.491	7.502	1	30		KKEFHM
CCCCCCCCCCCC[N+](C)(C)CCCCOc1cc([O-])c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O	ZINC000095561127	562763269	/nfs/dbraw/zinc/76/32/69/562763269.db2.gz	HGLZWZIYDPHFQL-UHFFFAOYSA-O	-1	3	538.749	7.338	1	30		KKEFHM
CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)N[O-]	ZINC000095604689	562781161	/nfs/dbraw/zinc/78/11/61/562781161.db2.gz	LCQMZRDBGJAUEU-KAYWLYCHSA-N	-1	3	573.665	5.734	1	30		KKEFHM
CN(C/C(=N\OCCCS(=O)(=O)[O-])[C@@H](CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1	ZINC000095606162	562781934	/nfs/dbraw/zinc/78/19/34/562781934.db2.gz	AEJFLHAKYANRRV-XJTOAHIYSA-N	-1	3	750.573	6.674	1	30		KKEFHM
C=C[C@@H]1C[C@]1(N[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NCCCCC/C=C\c1cc3c(ccnc3O2)cc1OC)C(=O)[N-]S(=O)(=O)C1CC1	ZINC000096903095	562797779	/nfs/dbraw/zinc/79/77/79/562797779.db2.gz	RKRSRZRRJLZOSN-YRVYUYHYSA-N	-1	3	705.922	5.658	1	30		KKEFHM
CC(C)=CCC/C(C)=C/Oc1cc([O-])c2c(c1CC=C(C)C)O[C@]13C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]3(CC=C(C)C)C4=O)C2=O	ZINC000096903671	562797988	/nfs/dbraw/zinc/79/79/88/562797988.db2.gz	BIMUUWRNJBALEP-AWNOVZCOSA-N	-1	3	586.769	8.293	1	30		KKEFHM
COc1ccc([C@H]2CCc3c(C#N)c([N-]C(=O)c4cc(S(=O)(=O)N5CCOCC5)c(Cl)cc4Cl)sc3C2)cc1	ZINC000096913664	562800336	/nfs/dbraw/zinc/80/03/36/562800336.db2.gz	KRQUESDBUMJYRZ-KRWDZBQOSA-N	-1	3	606.553	5.481	1	30		KKEFHM
C[C@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)c(Cl)cc1Cl	ZINC000096914384	562800747	/nfs/dbraw/zinc/80/07/47/562800747.db2.gz	BXZFFYGPODQBGJ-ZDUSSCGKSA-N	-1	3	512.484	5.621	1	30		KKEFHM
O=C(/C=C\c1cc2ccccc2cc1[O-])c1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000096931312	562803255	/nfs/dbraw/zinc/80/32/55/562803255.db2.gz	KKIOVNSEPYACHM-RAXLEYEMSA-N	-1	3	552.568	6.131	1	30		KKEFHM
CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\[O-])C[C@@H]12)c1ccc(Cl)cc1	ZINC000096935426	562804108	/nfs/dbraw/zinc/80/41/08/562804108.db2.gz	NDFBULHECCNIRC-SSXXBGJTSA-N	-1	3	648.206	8.065	1	30		KKEFHM
CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\[O-])C[C@@H]12)c1cccc(F)c1	ZINC000096935423	562804110	/nfs/dbraw/zinc/80/41/10/562804110.db2.gz	LTOLFFPTWQMBME-RPNNYWJASA-N	-1	3	631.751	7.551	1	30		KKEFHM
Cc1c([O-])c([C@@H](CCc2ccccc2)C2C(=O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c(C(=O)CCc2ccccc2)c1O	ZINC000101199906	562809966	/nfs/dbraw/zinc/80/99/66/562809966.db2.gz	OHJVUGQZZLSHQV-HSZRJFAPSA-N	-1	3	570.682	6.660	1	30		KKEFHM
CC(C)=CCC1=C([O-])[C@@]2(C(=O)c3ccccc3)C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C1=O)C2=O	ZINC000103011346	562814046	/nfs/dbraw/zinc/81/40/46/562814046.db2.gz	LYKKUBCDLBAZIM-OLFOKHSRSA-N	-1	3	502.695	7.921	1	30		KKEFHM
CC(C)=CCC1=C([O-])[C@@]2(CC=C(C)C)C(=O)[C@](C(=O)c3ccccc3)(C[C@H](CC=C(C)C)C2(C)C)C1=O	ZINC000103011346	562814047	/nfs/dbraw/zinc/81/40/47/562814047.db2.gz	LYKKUBCDLBAZIM-OLFOKHSRSA-N	-1	3	502.695	7.921	1	30		KKEFHM
CCc1cc2c(C#N)c(-c3ccc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)cn3)n(C3CCC3)c2cc1OC(F)F	ZINC000103270483	562822954	/nfs/dbraw/zinc/82/29/54/562822954.db2.gz	ODGUTRALQACRLP-ZDUSSCGKSA-N	-1	3	542.530	5.693	1	30		KKEFHM
CC(C)C[C@H](C(=O)N[O-])N1CC[C@@](N)(c2ccc(OCc3cc(-c4ccc(Cl)cc4)nc4ccccc34)cc2)C1=O	ZINC000136313979	562831137	/nfs/dbraw/zinc/83/11/37/562831137.db2.gz	KVPWCWKTDVGCOC-QLWXXVCSSA-N	-1	3	573.093	5.441	1	30		KKEFHM
O=c1c2cc(Br)ccc2nc(Cc2ccccc2Nc2c(Cl)cccc2Cl)n1-c1ccc(/N=C/c2ccc([O-])cc2)cc1	ZINC000150588611	562846046	/nfs/dbraw/zinc/84/60/46/562846046.db2.gz	ZEAFSGIXDBVQHC-CHSHITCJSA-N	-1	3	670.394	9.246	1	30		KKEFHM
COc1ccc(S(=O)(=O)N(CC(C)C)[C@H](CCSCc2ccc([C@@H]3C=CCCC3)cc2)C(=O)N[O-])cc1	ZINC000169339228	562860382	/nfs/dbraw/zinc/86/03/82/562860382.db2.gz	MEVLEABHOAUFQW-YIXXDRMTSA-N	-1	3	546.755	5.363	1	30		KKEFHM
C[Si](C)(C)CC[C@H](CCC(F)(F)F)N1CCC(F)(F)[C@H](CC(=O)[O-])[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000195251562	562871576	/nfs/dbraw/zinc/87/15/76/562871576.db2.gz	XCIBTYSKLIBYCP-NLWGTHIKSA-N	-1	3	533.576	7.618	1	30		KKEFHM
CCc1cc(CCC[C@H](CC(=O)N[O-])C(=O)N[C@@H](C(=O)N[C@@H](C)c2ccccc2)C(C)(C)C)ccc1-c1ccccc1	ZINC000213427439	562877213	/nfs/dbraw/zinc/87/72/13/562877213.db2.gz	FCZUABNOVRUEJK-XXFUAGPLSA-N	-1	3	571.762	6.159	1	30		KKEFHM
CC(C)c1ccc2c(c1)/C(=N\[O-])C[C@H]1[C@](C)(C(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccccc3)CCC[C@]21C	ZINC000299830249	562885187	/nfs/dbraw/zinc/88/51/87/562885187.db2.gz	XPSQKCCCKHCTEY-WIYHLPPISA-N	-1	3	551.731	6.822	1	30		KKEFHM
Cc1ccc(-c2ccc([C@@]3(C)CC(S(=O)(=O)c4ccc(F)cc4)=C(c4ccc(/C(N)=N\[O-])cc4)O3)cc2)cc1	ZINC000299833801	562886261	/nfs/dbraw/zinc/88/62/61/562886261.db2.gz	IRAVUMFFQMTRRA-WJOKGBTCSA-N	-1	3	542.632	6.374	1	30		KKEFHM
CCCCCCCCCCCCOC(=O)CCCC(=O)OCCN1CCN(c2cc([N-]c3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C)n2)CC1	ZINC000299863860	562893963	/nfs/dbraw/zinc/89/39/63/562893963.db2.gz	LSGZPGIITGBWCI-UHFFFAOYSA-N	-1	3	770.441	8.499	1	30		KKEFHM
C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1	ZINC000473157250	562902505	/nfs/dbraw/zinc/90/25/05/562902505.db2.gz	UQGTYRFJDKOVEQ-SFHVURJKSA-N	-1	3	646.629	5.981	1	30		KKEFHM
C=C(C)[C@@H]1CC[C@]2(C(=O)NCCN(C)C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)C(c5ccc(C(=O)[O-])cc5)=CC[C@@]34C)[C@@H]12	ZINC000653747440	562910526	/nfs/dbraw/zinc/91/05/26/562910526.db2.gz	UXZPRKAHCBPPDA-LYJCWSOSSA-N	-1	3	628.942	8.714	1	30		KKEFHM
CC(C)=CCC/C(C)=C/Cc1c([O-])c(CC=C(C)C)c2c(c1O)C(=O)C1=C[C@@H]3C[C@H]4C(C)(C)O[C@@](C/C=C(/C)C(=O)OCCN5CCCCC5)(C3=O)[C@@]14O2	ZINC000653757083	562911007	/nfs/dbraw/zinc/91/10/07/562911007.db2.gz	KHHCXRKBPOQXKO-BKZUJEAJSA-N	-1	3	741.966	8.214	1	30		KKEFHM
C/C=C1/C[C@@H](c2cc(CO)cc(NCC)c2)C#C[C@H]2CC(=O)Oc3cc([O-])c(cc32)C[C@H]([C@]2(O)CCC[C@H]3CC(=O)CC[C@H]32)OC1=O	ZINC000085571655	565145907	/nfs/dbraw/zinc/14/59/07/565145907.db2.gz	ZLRZAJANPLVJFS-LWQKFCNTSA-N	-1	3	641.761	5.201	1	30	biogenic,in-vitro	KKEFHM
COc1ccc2cc1OCc1ccc3c(ccc([O-])c3[C@H](Cc3ccccc3)C#CO[C@@H](CCCCCCCc3ccccc3)CC(=O)CC2)c1	ZINC000085596102	565154699	/nfs/dbraw/zinc/15/46/99/565154699.db2.gz	VKPVCESFVMWQLA-WCAWKSPSSA-N	-1	3	680.885	10.294	1	30	biogenic,in-vitro	KKEFHM
CCCC1([C@@H]2C[C@H]3C(=O)C=C([O-])CCc4cc(OC)c(O)cc4[C@@H](c4ccccc4)C#C[C@@H]3C[C@@H](Cc3ccnc(N)c3)C2)CCCC1	ZINC000085631494	565164609	/nfs/dbraw/zinc/16/46/09/565164609.db2.gz	TVNQDYBAKFGSDH-KOPMWOEBSA-N	-1	3	646.872	8.240	1	30	biogenic,in-vitro	KKEFHM
CCCC1([C@@H]2C[C@H]3C([O-])=CC(=O)CCc4cc(OC)c(O)cc4[C@@H](c4ccccc4)C#C[C@@H]3C[C@@H](Cc3ccnc(N)c3)C2)CCCC1	ZINC000085631494	565164612	/nfs/dbraw/zinc/16/46/12/565164612.db2.gz	TVNQDYBAKFGSDH-KOPMWOEBSA-N	-1	3	646.872	8.240	1	30	biogenic,in-vitro	KKEFHM
O=C(Oc1ccccc1)c1ccc(/N=C/c2ccc(/C=N/c3ccc(C(=O)Oc4ccccc4)c(O)c3)cc2)cc1[O-]	ZINC000012403155	561710660	/nfs/dbraw/zinc/71/06/60/561710660.db2.gz	QWYSNHMOJMNBDS-JTOYJDTJSA-N	-1	3	556.574	7.037	1	30		KKEFHM
CC(C)=CC[C@@H](OC(=O)/C=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)C1=CC(=O)c2c(O)ccc([O-])c2C1=O	ZINC000025995021	561765003	/nfs/dbraw/zinc/76/50/03/561765003.db2.gz	XXUTVXADNZJSAB-ISHOOSGFSA-N	-1	3	570.726	8.203	1	30		KKEFHM
CC(C)=CC[C@@H](OC(=O)/C=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)C1=CC(=O)c2c([O-])ccc(O)c2C1=O	ZINC000025995021	561765004	/nfs/dbraw/zinc/76/50/04/561765004.db2.gz	XXUTVXADNZJSAB-ISHOOSGFSA-N	-1	3	570.726	8.203	1	30		KKEFHM
N#Cc1c([N-]C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)sc2c1CC[C@H](c1ccc(O)cc1)C2	ZINC000026643613	561807092	/nfs/dbraw/zinc/80/70/92/561807092.db2.gz	FYCZJQNQTRZJRM-INIZCTEOSA-N	-1	3	592.526	5.178	1	30		KKEFHM
CCC[C@@H](C)N(CC(=O)N[O-])C(=O)CN(C(=O)Nc1ccc2ccccc2c1)[C@@H]1CCCc2ccccc21	ZINC000026717160	561814285	/nfs/dbraw/zinc/81/42/85/561814285.db2.gz	JDAADLBCXSWLIJ-JIPXPUAJSA-N	-1	3	516.642	5.274	1	30		KKEFHM
COc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCSCc2ccc([C@H]3C=CCCC3)cc2)C(=O)N[O-])cc1	ZINC000026828825	561822520	/nfs/dbraw/zinc/82/25/20/561822520.db2.gz	MEVLEABHOAUFQW-HOFKKMOUSA-N	-1	3	546.755	5.363	1	30		KKEFHM
COc1ccc(S(=O)(=O)N(CC(=O)NC(C2CCCCC2)C2CCCCC2)[C@H](CCSCc2ccccc2)C(=O)N[O-])cc1	ZINC000026837775	561824931	/nfs/dbraw/zinc/82/49/31/561824931.db2.gz	FCHACJJPJSMUHO-SSEXGKCCSA-N	-1	3	645.888	5.529	1	30		KKEFHM
COc1cc(CCC[C@H](CC(=O)N[O-])C(=O)N[C@H](C(=O)N[C@H](C)c2ccccc2)C(C)(C)C)ccc1-c1ccccc1	ZINC000027644306	561875683	/nfs/dbraw/zinc/87/56/83/561875683.db2.gz	PCGCWQHPTVXXQZ-JZTDYHMVSA-N	-1	3	573.734	5.605	1	30		KKEFHM
CC(C)(C)[C@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)c(F)c1)CC(=O)N[O-])C(=O)NC(c1ccccc1)c1ccccc1	ZINC000027649203	561876191	/nfs/dbraw/zinc/87/61/91/561876191.db2.gz	ZWHGWUJFPYMQHK-QTQRRKOQSA-N	-1	3	623.769	6.764	1	30		KKEFHM
CC(C)COC(=O)N([O-])CCC#Cc1ccc(OCCCCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1	ZINC000028133727	561906146	/nfs/dbraw/zinc/90/61/46/561906146.db2.gz	OHBPVXVMMZZMKM-UHFFFAOYSA-N	-1	3	619.753	6.756	1	30	in-vivo	KKEFHM
CC[C@@H](c1ccccc1)[C@H](c1ccc(O)cc1)c1ccc(OCCN(C)CCOCCOCCO/N=C/c2ccc([O-])c(C(N)=O)c2)cc1	ZINC000028224430	561907660	/nfs/dbraw/zinc/90/76/60/561907660.db2.gz	BNHPIVFPOYQMFP-NDOVAGOESA-N	-1	3	669.819	5.917	1	30		KKEFHM
CC[C@H](c1ccccc1)[C@@H](c1ccc(O)cc1)c1ccc(OCCN(C)CCOCCOCCO/N=C/c2ccc([O-])c(C(N)=O)c2)cc1	ZINC000028224417	561907691	/nfs/dbraw/zinc/90/76/91/561907691.db2.gz	BNHPIVFPOYQMFP-YDGBJIGHSA-N	-1	3	669.819	5.917	1	30		KKEFHM
COc1ccc(S(=O)(=O)[C@@H](CC(=O)N[O-])c2ccccc2OCc2ccccc2)cc1OC1CCCC1	ZINC000029397341	562019008	/nfs/dbraw/zinc/01/90/08/562019008.db2.gz	PSHCHUIVTMBGMR-MHZLTWQESA-N	-1	3	525.623	5.006	1	30		KKEFHM
[O-]N=C1c2cc(OCCN3CCCCC3)c(Cl)cc2-c2cc(Cl)c(OCCN3CCCCC3)cc21	ZINC000031848014	562036437	/nfs/dbraw/zinc/03/64/37/562036437.db2.gz	XVIPJUICRVVBHE-UHFFFAOYSA-N	-1	3	518.485	5.930	1	30		KKEFHM
CCCCCCCCCCCCCCc1c([O-])c2c(=O)cc(OC)c(OC)c-2oc1-c1ccc(O)c(O)c1	ZINC000036222847	562051725	/nfs/dbraw/zinc/05/17/25/562051725.db2.gz	CUFISTOPGNOINI-UHFFFAOYSA-N	-1	3	526.670	7.838	1	30		KKEFHM
CCCCCCCCCCCCc1c(=O)c2c(cc(OC)c(OC)c2OC)oc1-c1ccc([O-])c(O)c1	ZINC000036222865	562051856	/nfs/dbraw/zinc/05/18/56/562051856.db2.gz	AOMZPFAVDABIAO-UHFFFAOYSA-N	-1	3	512.643	7.360	1	30		KKEFHM
CC(C)[C@H]([N-]C(=O)Cn1c(=O)c(NC(=O)OCc2ccccc2)cnc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)C(F)(F)F	ZINC000037858613	562062147	/nfs/dbraw/zinc/06/21/47/562062147.db2.gz	IXBVAWGNZNKMKO-NRFANRHFSA-N	-1	3	666.497	5.969	1	30		KKEFHM
CC(C)C(=O)N1c2cccc([O-])c2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(OCc2ccccc2)cc1F	ZINC000040875809	562082154	/nfs/dbraw/zinc/08/21/54/562082154.db2.gz	KVMVGINANFWERF-SSEXGKCCSA-N	-1	3	528.624	6.909	1	30		KKEFHM
C=CCc1cc(-c2cc(CC=C)cc([C@@H]3C=C(C)CC[C@H]3C(C)C)c2O)c([O-])c([C@@H]2C=C(C)CC[C@H]2C(C)C)c1	ZINC000070454499	560048359	/nfs/dbraw/zinc/04/83/59/560048359.db2.gz	QEYQILFFUHBUTP-GASGPIRDSA-N	-1	3	538.816	10.414	1	30	biogenic,in-vitro	KKEFHM
CCCCCCCCCCCCCCCCCCOc1cc([O-])c2c(c1)O[C@H](c1ccc(OC)c(O)c1)CC2=O	ZINC000043285095	562647339	/nfs/dbraw/zinc/64/73/39/562647339.db2.gz	AIPSOAWTFQHLGK-YTTGMZPUSA-N	-1	3	554.768	9.453	1	30		KKEFHM
CCCCCCCCCCOc1ccc(C(=O)c2cccc(-c3nnn[n-]3)c2)cc1CCC(=O)OCC	ZINC000043300510	562647450	/nfs/dbraw/zinc/64/74/50/562647450.db2.gz	ATZGQIXMAWHQQH-UHFFFAOYSA-N	-1	3	506.647	6.113	1	30		KKEFHM
CCCCCCCCCCOc1ccc(C(=O)c2cccc(-c3nn[n-]n3)c2)cc1CCC(=O)OCC	ZINC000043300510	562647451	/nfs/dbraw/zinc/64/74/51/562647451.db2.gz	ATZGQIXMAWHQQH-UHFFFAOYSA-N	-1	3	506.647	6.113	1	30		KKEFHM
O=C(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Nc1ccc(CCCc2nnn[n-]2)cc1	ZINC000043443293	562648567	/nfs/dbraw/zinc/64/85/67/562648567.db2.gz	HIWNGOWOONZKJL-UHFFFAOYSA-N	-1	3	613.325	6.078	1	30		KKEFHM
O=C(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Nc1ccc(CCCc2nn[n-]n2)cc1	ZINC000043443293	562648568	/nfs/dbraw/zinc/64/85/68/562648568.db2.gz	HIWNGOWOONZKJL-UHFFFAOYSA-N	-1	3	613.325	6.078	1	30		KKEFHM
CCCCCCCC/C=C\C/C=C\CCCCC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc([O-])c2C1=O	ZINC000043589938	562650114	/nfs/dbraw/zinc/65/01/14/562650114.db2.gz	LRCJVQJYXQCXDX-PNURKKAPSA-N	-1	3	550.736	8.485	1	30		KKEFHM
CCCCCCCC/C=C\C/C=C\CCCCC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c([O-])ccc(O)c2C1=O	ZINC000043589938	562650115	/nfs/dbraw/zinc/65/01/15/562650115.db2.gz	LRCJVQJYXQCXDX-PNURKKAPSA-N	-1	3	550.736	8.485	1	30		KKEFHM
CCCCCCCCCCCCCCCCCC(=O)Oc1cc([O-])c2c(c1)O[C@@H](c1ccc(OC)c(O)c1)CC2=O	ZINC000044280190	562652790	/nfs/dbraw/zinc/65/27/90/562652790.db2.gz	CPCDQXFVKLNRGH-WJOKGBTCSA-N	-1	3	568.751	8.980	1	30		KKEFHM
C=C(COC(=O)c1ccc([O-])cc1)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](C[C@@H](O)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]12	ZINC000044280823	562652949	/nfs/dbraw/zinc/65/29/49/562652949.db2.gz	WDFWQGCNPVLXKK-DJDCUENXSA-N	-1	3	576.818	7.747	1	30		KKEFHM
COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCCC(=O)N[O-]	ZINC000045356850	562661893	/nfs/dbraw/zinc/66/18/93/562661893.db2.gz	FEOPLVISXFSHGK-UHFFFAOYSA-N	-1	3	506.962	5.026	1	30		KKEFHM
C=C[C@@H]1C[C@]1(N[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NCCCCCCCc1ccc3ccnc(c3c1)O2)C(=O)[N-]S(=O)(=O)C1CC1	ZINC000049616019	562666744	/nfs/dbraw/zinc/66/67/44/562666744.db2.gz	XLXRPZIKQICQTL-WIJFSWGSSA-N	-1	3	663.885	5.179	1	30		KKEFHM
CSC(C)=NOC(=O)N(C)SN(C([O-])=NC(=O)c1c(Cl)cccc1Cl)c1ccc(F)cc1	ZINC000060178906	562702618	/nfs/dbraw/zinc/70/26/18/562702618.db2.gz	FOEIUWHXXQRFST-BHGWPJFGSA-N	-1	3	519.407	5.817	1	30		KKEFHM
CSC(C)=NOC(=O)N(C)SN(C(=O)[N-]C(=O)c1c(Cl)cccc1Cl)c1ccc(F)cc1	ZINC000060178906	562702619	/nfs/dbraw/zinc/70/26/19/562702619.db2.gz	FOEIUWHXXQRFST-BHGWPJFGSA-N	-1	3	519.407	5.817	1	30		KKEFHM
CCCCCCCCCCCCCCCCCCN1C[C@@H](C)N(C(=O)c2ccc(Cc3nc(=O)o[n-]3)cc2)C[C@@H]1C	ZINC000049784920	562683840	/nfs/dbraw/zinc/68/38/40/562683840.db2.gz	FDEPNMFPCSRMRB-URLMMPGGSA-N	-1	3	568.847	7.750	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@](C)(C=CC=C(CC)C(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O	ZINC000049804000	562686295	/nfs/dbraw/zinc/68/62/95/562686295.db2.gz	KVJHZYMACRMECF-JUUYJEQASA-N	-1	3	693.925	8.573	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@](C)(C=CC=C(CC)C(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O	ZINC000049804000	562686296	/nfs/dbraw/zinc/68/62/96/562686296.db2.gz	KVJHZYMACRMECF-JUUYJEQASA-N	-1	3	693.925	8.573	1	30		KKEFHM
CCCCCC(=O)c1c([O-])c2c(c3c1O[C@@]1(O)[C@@H]([C@H](O)C(C)(C)C(=O)C1(C)C)[C@@H]3C(C)C)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]2C(C)C	ZINC000049888738	562691407	/nfs/dbraw/zinc/69/14/07/562691407.db2.gz	LSRMQOHHJSQPQG-QPGYFJOOSA-N	-1	3	680.879	7.178	1	30		KKEFHM
CC(C)(CSc1ccccc1)Nc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccccc4)CC3)cc2)cc1[N+](=O)[O-]	ZINC000049942338	562695455	/nfs/dbraw/zinc/69/54/55/562695455.db2.gz	QASBRWUYQCIPKZ-UHFFFAOYSA-N	-1	3	735.932	8.260	1	30	in-vitro	KKEFHM
COc1ccc([P@](=O)(OCCc2ccc(-c3ccccc3)cc2)N2Cc3ccccc3C[C@H]2C(=O)N[O-])cc1	ZINC000058537870	562698748	/nfs/dbraw/zinc/69/87/48/562698748.db2.gz	PCAPSCAFNCUGDE-KBBVOBCMSA-N	-1	3	542.572	5.372	1	30		KKEFHM
CSC(C)=NOC(=O)N(C)SN(C([O-])=NC(=O)c1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)cc1	ZINC000060178904	562702606	/nfs/dbraw/zinc/70/26/06/562702606.db2.gz	RNQPSOARQKRIBM-LUOAPIJWSA-N	-1	3	569.414	6.697	1	30		KKEFHM
CSC(C)=NOC(=O)N(C)SN(C(=O)[N-]C(=O)c1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)cc1	ZINC000060178904	562702607	/nfs/dbraw/zinc/70/26/07/562702607.db2.gz	RNQPSOARQKRIBM-LUOAPIJWSA-N	-1	3	569.414	6.697	1	30		KKEFHM
C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC1CCC(C(F)(F)F)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1	ZINC000060329093	562702868	/nfs/dbraw/zinc/70/28/68/562702868.db2.gz	MANSNVFOMQIECA-NVPAJSRCSA-N	-1	3	585.542	5.531	1	30		KKEFHM
C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(Nc3cccc(/C(N)=N/O)c3)cc2)=C(c2ccc(/C(N)=N/[O-])cc2)O1	ZINC000064361486	562704787	/nfs/dbraw/zinc/70/47/87/562704787.db2.gz	ZLNWJUFITYBHTB-YTTGMZPUSA-N	-1	3	597.697	5.183	1	30		KKEFHM
CON[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@@](C)(C(=O)N(C)[O-])CC[C@]4(C)CC[C@]23C)C1(C)C	ZINC000064513740	562706497	/nfs/dbraw/zinc/70/64/97/562706497.db2.gz	WFFRYDDMEOSCOR-XWEVEMRCSA-N	-1	3	528.778	6.334	1	30		KKEFHM
C=CCO[N-]C(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](OC(C)=O)CC[C@@]34C)[C@@H]2C1	ZINC000064527607	562707033	/nfs/dbraw/zinc/70/70/33/562707033.db2.gz	ZSIYINVYESEOPV-JOKULHESSA-N	-1	3	567.811	7.133	1	30		KKEFHM
C[C@H](C(=O)N[C@@H](CCCCCC(=O)N[O-])C(=O)Nc1cccc2cccnc21)c1ccc(-c2ccccc2)c(F)c1	ZINC000064549720	562708152	/nfs/dbraw/zinc/70/81/52/562708152.db2.gz	MPDYHKIAIIEYNH-KMRXNPHXSA-N	-1	3	556.638	5.724	1	30		KKEFHM
O=C(CCCCC[C@H](NC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)C(=O)Nc1cccc2cccnc21)N[O-]	ZINC000064560174	562708470	/nfs/dbraw/zinc/70/84/70/562708470.db2.gz	PZDVCBRFQMCVLP-SANMLTNESA-N	-1	3	608.526	6.407	1	30		KKEFHM
CCCCCCCCCCCCOc1c2c(c(C)c(OC)c1C/C=C(\C)CCC(=O)N[O-])COC2=O	ZINC000064573576	562708729	/nfs/dbraw/zinc/70/87/29/562708729.db2.gz	PXDNMQXSFIMYHS-RCCKNPSSSA-N	-1	3	503.680	6.748	1	30		KKEFHM
COc1ccc2ccc([C@H](C)C(=O)N[C@@H](CCCCCC(=O)N[O-])C(=O)Nc3cccc4cccnc43)cc2c1	ZINC000064573193	562708674	/nfs/dbraw/zinc/70/86/74/562708674.db2.gz	NVWIWPIFTLQAKM-DCFHFQCYSA-N	-1	3	542.636	5.080	1	30		KKEFHM
N/C(=N\[O-])c1ccc(S(=O)(=O)C2=C(c3ccc(Nc4ccccc4/C(N)=N/O)cc3)OC(c3ccccc3)(c3ccccc3)C2)cc1	ZINC000072132421	562726856	/nfs/dbraw/zinc/72/68/56/562726856.db2.gz	AVWUIZJUTXPARW-UHFFFAOYSA-N	-1	3	645.741	6.126	1	30		KKEFHM
C[S@](=O)c1ccc([C@@H]2C=C(CC(=O)N[C@@H](CCCCCC(=O)N[O-])C(=O)Nc3cccc4cccnc43)c3cc(F)ccc32)cc1	ZINC000072150248	562730091	/nfs/dbraw/zinc/73/00/91/562730091.db2.gz	GIBUWOSZIMMLTO-VQLIAGSFSA-N	-1	3	642.753	5.610	1	30		KKEFHM
C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N\[O-])cc2)=C(c2ccc(C(F)(F)F)cc2)O1	ZINC000072170942	562730422	/nfs/dbraw/zinc/73/04/22/562730422.db2.gz	GYLDZKLYVCRDCO-RUZDIDTESA-N	-1	3	516.541	5.364	1	30		KKEFHM
CCCCc1ccc(C#Cc2ccc(S(=O)(=O)N[C@H](Cc3ccc(C(=O)c4ccccc4)cc3)C(=O)N[O-])s2)cc1	ZINC000072175457	562731320	/nfs/dbraw/zinc/73/13/20/562731320.db2.gz	ABUCHUKPMIVSQV-GDLZYMKVSA-N	-1	3	586.735	5.117	1	30		KKEFHM
CCCCc1ccc(C#Cc2ccc(S(=O)(=O)N[C@H](Cc3csc4ccccc34)C(=O)N[O-])s2)cc1	ZINC000072175311	562731344	/nfs/dbraw/zinc/73/13/44/562731344.db2.gz	YPLZYOZJLNQLST-XMMPIXPASA-N	-1	3	538.716	5.100	1	30		KKEFHM
[N-]=[N+]=NCc1cc(N=[N+]=[N-])cc(C(=O)Nc2ccc(-c3cc(C(=O)NCCCCCCC(=O)N[O-])no3)cc2)c1	ZINC000073161078	562734076	/nfs/dbraw/zinc/73/40/76/562734076.db2.gz	CRPIWCWIMAOUCX-UHFFFAOYSA-N	-1	3	546.548	5.532	1	30		KKEFHM
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C/C=C/[C@]([O-])(C(C)(F)F)C(F)(F)F)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1O	ZINC000084635162	562746094	/nfs/dbraw/zinc/74/60/94/562746094.db2.gz	MBORAXGXLXZGNZ-NIVGJZOMSA-N	-1	3	604.741	7.580	1	30		KKEFHM
N#Cc1c(Nc2ccccc2)nc(SCC(=O)[N-]n2c(COc3ccc(Cl)cc3Cl)nc3ccccc3c2=O)nc1-c1ccc(Cl)cc1	ZINC000084655405	562747467	/nfs/dbraw/zinc/74/74/67/562747467.db2.gz	NQMUNHLWPNJXNM-UHFFFAOYSA-N	-1	3	715.022	7.870	1	30		KKEFHM
N#Cc1c(Cl)nc(SCC(=O)[N-]n2c(COc3ccc(Cl)cc3Cl)nc3ccccc3c2=O)nc1-c1ccc(Cl)cc1	ZINC000084713108	562750853	/nfs/dbraw/zinc/75/08/53/562750853.db2.gz	CFCIZDTVLPFNFD-UHFFFAOYSA-N	-1	3	658.354	6.780	1	30		KKEFHM
CCCCCCCCCCCCCCCCOCCCO[P@@]1(=O)CO[C@@H](Cn2cnc3c2nc[n-]c3=O)CO1	ZINC000084728020	562751408	/nfs/dbraw/zinc/75/14/08/562751408.db2.gz	NAPXAVBBXIQYDN-ZHQHWHAXSA-N	-1	3	568.696	6.590	1	30		KKEFHM
O=C([N-]S(=O)(=O)CC12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1	ZINC000084742141	562752227	/nfs/dbraw/zinc/75/22/27/562752227.db2.gz	IXESZSNJHRGKCC-OJZPRQCBSA-N	-1	3	694.341	8.502	1	30		KKEFHM
CCCCN(CCCC)C(=O)c1nn(-c2ccc(C(=O)[N-]S(=O)(=O)c3ccc4ccccc4c3)cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCCC2)c(C)c1Cl	ZINC000095551572	562760331	/nfs/dbraw/zinc/76/03/31/562760331.db2.gz	RVIVVZULGLVTLA-QNGWXLTQSA-N	-1	3	823.460	8.386	1	30		KKEFHM
CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1cc([O-])c2c(c1)C(=O)c1cc(OC)cc([O-])c1C2=O	ZINC000095560104	562762930	/nfs/dbraw/zinc/76/29/30/562762930.db2.gz	UNJLEJPWAUNMQJ-UHFFFAOYSA-O	-1	3	580.830	8.720	1	30		KKEFHM
O=C([N-][C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)NCC(F)(F)C(F)(F)F	ZINC000095578313	562771202	/nfs/dbraw/zinc/77/12/02/562771202.db2.gz	MDWIBDBYTJHKEJ-QFIPXVFZSA-N	-1	3	617.871	7.094	1	30		KKEFHM
CCc1nc2ccn(Cc3ccccc3C#N)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[n-]3)ccc21	ZINC000095581923	562772370	/nfs/dbraw/zinc/77/23/70/562772370.db2.gz	NBDDZFPMRAAKFW-NDEPHWFRSA-N	-1	3	538.615	5.063	1	30		KKEFHM
CCc1nc2ccn(Cc3ccccc3C#N)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nn[n-]n3)ccc21	ZINC000095581923	562772371	/nfs/dbraw/zinc/77/23/71/562772371.db2.gz	NBDDZFPMRAAKFW-NDEPHWFRSA-N	-1	3	538.615	5.063	1	30		KKEFHM
N#Cc1cc(S(=O)(=O)[N-]c2ncns2)ccc1Oc1ccc(Cl)cc1-c1cccc(CN2CCC2)c1	ZINC000095584701	562773338	/nfs/dbraw/zinc/77/33/38/562773338.db2.gz	CHJONOAJXAYCSX-UHFFFAOYSA-N	-1	3	538.054	5.529	1	30		KKEFHM
C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CN2CC(C(=O)[O-])C2)c(C)c1	ZINC000095587221	562774280	/nfs/dbraw/zinc/77/42/80/562774280.db2.gz	GCWXAXRCSPZYSS-BIZUNTBRSA-N	-1	3	502.577	6.519	1	30		KKEFHM
C=C(C)[C@]12C[C@@H](C)[C@]3(OCc4ccccc4)[C@@H]4C=C(C)C(=O)[C@@]4(O)CC(COC(=O)CCc4cc(I)c([O-])c(OC)c4)=C[C@H]3[C@H]1OCO2	ZINC000095607356	562782757	/nfs/dbraw/zinc/78/27/57/562782757.db2.gz	STLQLZHVJSUFDO-NUNSWEQZSA-N	-1	3	770.657	5.987	1	30		KKEFHM
CO/N=C(\CN(CCF)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c3ccccc3n(CC(=O)[O-])c2=O)CC1)c1ccc(Cl)c(Cl)c1	ZINC000095610368	562784343	/nfs/dbraw/zinc/78/43/43/562784343.db2.gz	QQEUFCBFNCEBTH-UVIULGBXSA-N	-1	3	767.513	7.426	1	30		KKEFHM
COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3cccc(OCCCCCCCC(=O)N[O-])c3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000096286406	562796145	/nfs/dbraw/zinc/79/61/45/562796145.db2.gz	YOVLDSYJIOXDAH-SRWWWFMASA-N	-1	3	648.709	5.451	1	30		KKEFHM
C=C[C@@H]1C[C@]1(N[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NCCCCC/C=C\c1cc3c(cc1OC)nc(-c1ccccc1)cc3O2)C(=O)[N-]S(=O)(=O)C1CC1	ZINC000096902380	562797373	/nfs/dbraw/zinc/79/73/73/562797373.db2.gz	XCHKKUHQNXQXAI-DNXLJTRNSA-N	-1	3	782.020	7.325	1	30		KKEFHM
CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[N-]c3sc4c(c3C#N)CCCC4)c(Cl)cc2Cl)C1	ZINC000096914380	562800754	/nfs/dbraw/zinc/80/07/54/562800754.db2.gz	XQBZEQSVPCNRHR-AWEZNQCLSA-N	-1	3	570.520	5.021	1	30		KKEFHM
[O-]c1ccccc1/C=N/n1c(=S)n(CN2CCN(c3ccccc3)CC2)nc1C12CC3CC(CC(C3)C1)C2	ZINC000096933792	562803704	/nfs/dbraw/zinc/80/37/04/562803704.db2.gz	RPAYUOLQRWDEMZ-AJBULDERSA-N	-1	3	528.726	5.249	1	30		KKEFHM
CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\[O-])C[C@@H]12)c1ccc2ccccc2c1	ZINC000096935438	562804137	/nfs/dbraw/zinc/80/41/37/562804137.db2.gz	HGCPUSDGBXMLEN-RIPYVVPDSA-N	-1	3	663.821	8.565	1	30		KKEFHM
O=C([N-]C(=O)N(SNc1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1)c1c(F)cccc1F	ZINC000103201848	562816121	/nfs/dbraw/zinc/81/61/21/562816121.db2.gz	GFCNYOIDPOPWHG-UHFFFAOYSA-N	-1	3	567.414	6.794	1	30		KKEFHM
COc1cc(-c2cc(NC(=O)Nc3ccc(OCCN(C)C)cc3C)cc(OC)c2OC)ccc1/C(C)=N/[O-]	ZINC000103228668	562818024	/nfs/dbraw/zinc/81/80/24/562818024.db2.gz	QJPGJAYOABHBLI-BIZUNTBRSA-N	-1	3	536.629	5.470	1	30		KKEFHM
Cn1cc2c(n1)nc(NCCCCCNC(=S)Nc1ccc([C@H]3c4ccc(O)cc4OC4=CC(=O)C=CC43)c(C(=O)[O-])c1)n1nc(-c3ccco3)nc21	ZINC000150546039	562844441	/nfs/dbraw/zinc/84/44/41/562844441.db2.gz	ZSATUYYTGUYBSM-QXNWPYRLSA-N	-1	3	731.795	5.407	1	30		KKEFHM
Cn1cc2c(n1)nc(NCCCCCNC(=S)Nc1ccc([C@@H]3c4ccc(O)cc4OC4=CC(=O)C=CC43)c(C(=O)[O-])c1)n1nc(-c3ccco3)nc21	ZINC000150546033	562844445	/nfs/dbraw/zinc/84/44/45/562844445.db2.gz	ZSATUYYTGUYBSM-XJFCNFDWSA-N	-1	3	731.795	5.407	1	30		KKEFHM
O=C([N-]C(=O)N(CC(F)(F)F)c1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F	ZINC000150581623	562845497	/nfs/dbraw/zinc/84/54/97/562845497.db2.gz	HPEHUNWOUMQPLW-UHFFFAOYSA-N	-1	3	622.683	8.050	1	30		KKEFHM
C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CCCc1ccc(-c2ccccc2)c(F)c1)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000165115221	562849840	/nfs/dbraw/zinc/84/98/40/562849840.db2.gz	NXBDTIZSKZYBRI-PVLHBDHTSA-N	-1	3	561.698	5.735	1	30		KKEFHM
COc1cc(-c2cc(NC(=O)Nc3ccc(OCCN4CCCC4)cc3)cc(OC)c2OC)ccc1/C(C)=N/[O-]	ZINC000169323999	562857268	/nfs/dbraw/zinc/85/72/68/562857268.db2.gz	NWNMVKAPUWLKJV-FMFFXOCNSA-N	-1	3	548.640	5.696	1	30		KKEFHM
CC(C)(C)[C@@H](NC(=O)[C@@H](CCCc1ccc(-c2ccccc2)c(F)c1)CC(=O)N[O-])C(=O)NC(c1ccccc1)c1ccccc1	ZINC000213428881	562877204	/nfs/dbraw/zinc/87/72/04/562877204.db2.gz	ZWHGWUJFPYMQHK-QGRQJHSQSA-N	-1	3	623.769	6.764	1	30		KKEFHM
C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CCCc1ccc2c(c1)Cc1ccccc1-2)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000213427726	562877215	/nfs/dbraw/zinc/87/72/15/562877215.db2.gz	FLMHRETZLINTLJ-DDOIBPSYSA-N	-1	3	555.719	5.501	1	30		KKEFHM
C[C@H](NC(=O)[C@H](NC(=O)[C@@H](CCCc1ccc(-c2ccccc2)cc1)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000213422865	562877237	/nfs/dbraw/zinc/87/72/37/562877237.db2.gz	FKSBYESEMYJJHL-TVHSXNCYSA-N	-1	3	543.708	5.596	1	30		KKEFHM
CC(C)c1ccc2c(c1)/C(=N\[O-])C[C@H]1[C@](C)(C(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccccc3F)CCC[C@]21C	ZINC000299827954	562884302	/nfs/dbraw/zinc/88/43/02/562884302.db2.gz	PFNLLSPSVJIFOG-OZVICKBXSA-N	-1	3	569.721	6.961	1	30		KKEFHM
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@H]3[C@@](C)(NC(=O)CCCCC(=O)N[O-])[C@H](O)CC[C@@]34C)[C@@H]2[C@H]1C	ZINC000299832787	562885991	/nfs/dbraw/zinc/88/59/91/562885991.db2.gz	VYZLSQPZAIPCLT-ARKUBDMWSA-N	-1	3	584.842	6.118	1	30		KKEFHM
C[C@@]1(c2ccc(Br)cc2)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\[O-])cc2)O1	ZINC000299832934	562886029	/nfs/dbraw/zinc/88/60/29/562886029.db2.gz	GYQRESDPYBQADU-DEOSSOPVSA-N	-1	3	531.403	5.161	1	30		KKEFHM
CC(=CC(=O)c1ccccc1)N[C@@H](Cc1ccc(OCCCOc2ccc(N=Nc3ccccc3)cc2)cc1)C(=O)[O-]	ZINC000299836856	562887318	/nfs/dbraw/zinc/88/73/18/562887318.db2.gz	NWKLMPPRHKWFNB-VSOSRIFXSA-N	-1	3	563.654	7.322	1	30		KKEFHM
C[C@@]1(c2ccc(-c3ccco3)cc2)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\[O-])cc2)O1	ZINC000299839378	562888204	/nfs/dbraw/zinc/88/82/04/562888204.db2.gz	YFABPHRLLUWPAN-NDEPHWFRSA-N	-1	3	518.566	5.658	1	30		KKEFHM
C=C(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](NC(=O)[C@@H]6CCCCN6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12	ZINC000299859159	562892649	/nfs/dbraw/zinc/89/26/49/562892649.db2.gz	HSHAQBPLWGTRIQ-HHPXORCVSA-N	-1	3	566.871	7.356	1	30		KKEFHM
CCCCCCCCOC(=O)CCC(=O)OCCN1CCN(c2cc([N-]c3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C)n2)CC1	ZINC000299861005	562893118	/nfs/dbraw/zinc/89/31/18/562893118.db2.gz	HKBWDZPRZTUBFJ-UHFFFAOYSA-N	-1	3	700.306	6.548	1	30		KKEFHM
CCCCCCCCCCCCN(CCCCCCCCCCCC)S(=O)(=O)[N-][C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000473084265	562896881	/nfs/dbraw/zinc/89/68/81/562896881.db2.gz	GDGSJVHYUFNDKF-GKQHHHCTSA-N	-1	3	564.874	5.404	1	30		KKEFHM
CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2[O-])c1C#CC(C)(C)NC(=O)c1ccc(C(F)(F)F)cc1	ZINC000473090772	562897591	/nfs/dbraw/zinc/89/75/91/562897591.db2.gz	PCXXBVFSPGZVLT-UHFFFAOYSA-N	-1	3	543.542	5.205	1	30		KKEFHM
C[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)c(F)c1)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000653830218	562914526	/nfs/dbraw/zinc/91/45/26/562914526.db2.gz	NXBDTIZSKZYBRI-WCUBMSFQSA-N	-1	3	561.698	5.735	1	30		KKEFHM
C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCc1ccc(-c2ccc(F)cc2)cc1)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000653830258	562914564	/nfs/dbraw/zinc/91/45/64/562914564.db2.gz	ZFQPFNFJKNLTIW-LHKSUUPMSA-N	-1	3	547.671	5.345	1	30		KKEFHM
C[C@H](NC(=O)[C@H](NC(=O)[C@H](CCc1ccc(-c2ccc(F)cc2)cc1)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000653830257	562914566	/nfs/dbraw/zinc/91/45/66/562914566.db2.gz	ZFQPFNFJKNLTIW-BFJTUWMXSA-N	-1	3	547.671	5.345	1	30		KKEFHM
CCC[C@H](CO)[C@@H]1C[C@H]2C(=O)C=C([O-])CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3CCC(C)C)C#C[C@@H]2C[C@@H](Cc2ccnc(N)c2)C1	ZINC000085631417	565164423	/nfs/dbraw/zinc/16/44/23/565164423.db2.gz	NYWXWHZGXHUYDK-GNWGYATBSA-N	-1	3	692.941	7.876	1	30	biogenic,in-vitro	KKEFHM
CCC[C@H](CO)[C@@H]1C[C@H]2C([O-])=CC(=O)CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3CCC(C)C)C#C[C@@H]2C[C@@H](Cc2ccnc(N)c2)C1	ZINC000085631417	565164430	/nfs/dbraw/zinc/16/44/30/565164430.db2.gz	NYWXWHZGXHUYDK-GNWGYATBSA-N	-1	3	692.941	7.876	1	30	biogenic,in-vitro	KKEFHM
CCCCCCCC(=O)C([O-])=C(O)CCc1cc(OC)c(O)c([C@@H]2c3ccnc4nccc(c43)C[C@@]2(CO)Cc2ccc[nH]2)c1	ZINC000085631429	565164516	/nfs/dbraw/zinc/16/45/16/565164516.db2.gz	IMDFHRRIIPAPIA-MTFQNXCDSA-N	-1	3	611.739	5.372	1	30	biogenic,in-vitro	KKEFHM
N#Cc1c([N-]C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)sc2c1CC[C@@H](c1ccccc1)C2	ZINC000026648968	561808091	/nfs/dbraw/zinc/80/80/91/561808091.db2.gz	RFBHGTAROUPZGA-QGZVFWFLSA-N	-1	3	576.527	5.472	1	30		KKEFHM
O=C(CN(C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)C(c1ccccc1)c1ccccc1)N[O-]	ZINC000026672836	561812902	/nfs/dbraw/zinc/81/29/02/561812902.db2.gz	LCHJXWBHDASHHI-UHFFFAOYSA-N	-1	3	642.756	7.069	1	30		KKEFHM
CC[C@@H](C)N(CC(=O)N[O-])C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1	ZINC000026716841	561814335	/nfs/dbraw/zinc/81/43/35/561814335.db2.gz	BAHYQLXNOCVJNL-HSZRJFAPSA-N	-1	3	532.641	5.078	1	30		KKEFHM
CC1=C2[C@@H](Sc3ccccc3)[C@H](OCCOCc3ccccc3)c3cccc([O-])c3[C@H](OCc3ccccc3)[C@](O)(CC1=O)C2(C)C	ZINC000026745248	561818658	/nfs/dbraw/zinc/81/86/58/561818658.db2.gz	KTYQYPRUQKUZNI-PCUSLKCDSA-N	-1	3	650.837	8.146	1	30		KKEFHM
C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)c(C(F)(F)F)c1)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000027644292	561875672	/nfs/dbraw/zinc/87/56/72/561875672.db2.gz	MDHGHVZOCBQJRL-BCAKYAHRSA-N	-1	3	611.705	6.615	1	30		KKEFHM
CC(C)c1ccccc1SC1=C([O-])O[C@](CCCCC(=O)N2CCNCC2)(c2ccccc2)CC1=O	ZINC000027767194	561884835	/nfs/dbraw/zinc/88/48/35/561884835.db2.gz	WUOHYJRFUUNIBQ-LJAQVGFWSA-N	-1	3	508.684	5.506	1	30		KKEFHM
CC(C)c1ccccc1SC1=C([O-])C[C@@](CCCCC(=O)N2CCNCC2)(c2ccccc2)OC1=O	ZINC000027767194	561884836	/nfs/dbraw/zinc/88/48/36/561884836.db2.gz	WUOHYJRFUUNIBQ-LJAQVGFWSA-N	-1	3	508.684	5.506	1	30		KKEFHM
CC[C@@H](c1ccccc1)[C@H](c1ccc(O)cc1)c1ccc(OCCN(C)CCO/N=C/c2ccc([O-])c(C(N)=O)c2)cc1	ZINC000028225245	561907964	/nfs/dbraw/zinc/90/79/64/561907964.db2.gz	MHOBLDMCIRQQBQ-BLPIRJDKSA-N	-1	3	581.713	5.884	1	30		KKEFHM
CCN(CC)S(=O)(=O)c1cc(C(=O)[N-]c2sc3c(c2C#N)C[C@@H](c2ccc(O)cc2)CC3)c(Cl)cc1Cl	ZINC000029133822	562003667	/nfs/dbraw/zinc/00/36/67/562003667.db2.gz	AQKMUQSKEAWRMT-INIZCTEOSA-N	-1	3	578.543	6.187	1	30		KKEFHM
COc1ccc(S(=O)(=O)[C@@H](CCc2ccc(OCc3ccccc3)cc2)CC(=O)N[O-])cc1OC1CCCC1	ZINC000029390668	562017338	/nfs/dbraw/zinc/01/73/38/562017338.db2.gz	XHVNEGKHXFCMFM-MHZLTWQESA-N	-1	3	553.677	5.266	1	30		KKEFHM
CCCCCCCCCCCCCCCC[C@H](CC(=O)N[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)NC	ZINC000034801725	562041466	/nfs/dbraw/zinc/04/14/66/562041466.db2.gz	SSNRGEULLFASJG-SXOMAYOGSA-N	-1	3	517.755	5.843	1	30		KKEFHM
CCCCCCCCCCCCCCCCCCN1CCN(c2ccc(Cc3nc(=O)o[n-]3)cc2)CC1	ZINC000036176007	562049231	/nfs/dbraw/zinc/04/92/31/562049231.db2.gz	QMVIJTCHNUELBZ-UHFFFAOYSA-N	-1	3	512.783	7.750	1	30		KKEFHM
CCCCCCCCCCCOc1c(Br)cc(C[NH2+]CCCP(=O)([O-])[O-])cc1OC	ZINC000036178315	562049671	/nfs/dbraw/zinc/04/96/71/562049671.db2.gz	FSCOADFARBASQU-UHFFFAOYSA-N	-1	3	508.434	6.025	1	30		KKEFHM
CCCCCCCN(CCCCCSc1nc(-c2ccco2)c(-c2ccco2)[n-]1)C(=O)Nc1ccc(F)cc1F	ZINC000036330803	562055912	/nfs/dbraw/zinc/05/59/12/562055912.db2.gz	LUDKRAGVPBOQGC-UHFFFAOYSA-N	-1	3	570.706	8.975	1	30		KKEFHM
CCCCCCCCN(CCCCCCCC)C(=O)CS(=O)(=O)[N-]c1c(C(C)C)cccc1C(C)C	ZINC000036349834	562057955	/nfs/dbraw/zinc/05/79/55/562057955.db2.gz	QIJHPTDYMCINPX-UHFFFAOYSA-N	-1	3	522.840	8.225	1	30		KKEFHM
CCCCCCCCCCCCCSc1nnc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)[n-]1	ZINC000036349980	562057981	/nfs/dbraw/zinc/05/79/81/562057981.db2.gz	XMOXRGHOOOIJLC-UHFFFAOYSA-N	-1	3	501.785	9.099	1	30		KKEFHM
CCCCCCCCCCCCCSc1n[n-]c(NC(=O)Nc2c(C(C)C)cccc2C(C)C)n1	ZINC000036349980	562057983	/nfs/dbraw/zinc/05/79/83/562057983.db2.gz	XMOXRGHOOOIJLC-UHFFFAOYSA-N	-1	3	501.785	9.099	1	30		KKEFHM
CCCCCCCCCCCCCSc1nc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)n[n-]1	ZINC000036349980	562057985	/nfs/dbraw/zinc/05/79/85/562057985.db2.gz	XMOXRGHOOOIJLC-UHFFFAOYSA-N	-1	3	501.785	9.099	1	30		KKEFHM
CCCCCCCCCCCCCCCCCCn1nnc(CS(=O)(=O)[N-]c2c(C(C)C)cccc2C(C)C)n1	ZINC000036349877	562057989	/nfs/dbraw/zinc/05/79/89/562057989.db2.gz	YBNNZTOYBUPFRX-UHFFFAOYSA-N	-1	3	575.908	9.123	1	30		KKEFHM
CC1=C(CCCCC(=O)NCCCC[NH2+]CCCNC(=O)CCCCC2=C(C)C(=O)c3cccc([O-])c3C2=O)C(=O)c2c([O-])cccc2C1=O	ZINC000037858536	562062045	/nfs/dbraw/zinc/06/20/45/562062045.db2.gz	ARLUBRHFIKAWOY-UHFFFAOYSA-N	-1	3	685.818	5.302	1	30		KKEFHM
CCCCCC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CCCCCC(=O)N[O-]	ZINC000040412680	562075471	/nfs/dbraw/zinc/07/54/71/562075471.db2.gz	HLBNOIIOFYASPL-AREMUKBSSA-N	-1	3	501.712	5.302	1	30		KKEFHM
CCCCCCC/C=C\CCCCCCCCC(=O)Oc1cc([O-])c2c(c1)O[C@@H](c1ccc(OC)c(O)c1)CC2=O	ZINC000043300218	562647381	/nfs/dbraw/zinc/64/73/81/562647381.db2.gz	PZLXQLFGGNPFOQ-HWNQJZBBSA-N	-1	3	566.735	8.756	1	30		KKEFHM
CCCCCCCCCCCCCCCCOc1cc([O-])c2c(c1)O[C@@H](c1ccc(OC)c(O)c1)CC2=O	ZINC000043285394	562647395	/nfs/dbraw/zinc/64/73/95/562647395.db2.gz	GUAMXRWOZXOBOV-SSEXGKCCSA-N	-1	3	526.714	8.673	1	30		KKEFHM
CCCCCCCN(CC(=O)N[O-])C(=O)CN(CCCCC)C(=O)Nc1ccc(Oc2ccccc2)cc1	ZINC000043300450	562647482	/nfs/dbraw/zinc/64/74/82/562647482.db2.gz	BNUZEMYRPYPLIK-UHFFFAOYSA-N	-1	3	526.678	5.807	1	30		KKEFHM
CCCCCCCCCCCCCCCCCCNC(=O)[C@H](COCc1ccccc1)[N-]S(C)(=O)=O	ZINC000043463204	562648673	/nfs/dbraw/zinc/64/86/73/562648673.db2.gz	JCWDBRARZIUALR-NDEPHWFRSA-N	-1	3	524.812	6.499	1	30		KKEFHM
C=CCOc1c(C)c(C)c2c(c1C)CC[C@](C)(COc1ccc(C=C3SC(=O)[N-]C3=O)cc1Br)O2	ZINC000043531722	562649167	/nfs/dbraw/zinc/64/91/67/562649167.db2.gz	YGPDMZXBOMZYGJ-GQDPUBFTSA-N	-1	3	558.494	6.426	1	30		KKEFHM
CCCCCCCCCCCCCCCCCC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc([O-])c2C1=O	ZINC000043640895	562650403	/nfs/dbraw/zinc/65/04/03/562650403.db2.gz	SNVRTXVCAWOWKO-SSEXGKCCSA-N	-1	3	554.768	8.933	1	30		KKEFHM
CCCCCCCCCCCCCCCCCC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c([O-])ccc(O)c2C1=O	ZINC000043640895	562650404	/nfs/dbraw/zinc/65/04/04/562650404.db2.gz	SNVRTXVCAWOWKO-SSEXGKCCSA-N	-1	3	554.768	8.933	1	30		KKEFHM
O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000044005211	562651405	/nfs/dbraw/zinc/65/14/05/562651405.db2.gz	DRLDRNJRAVFUPX-UHFFFAOYSA-N	-1	3	557.217	5.179	1	30		KKEFHM
O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000044005211	562651406	/nfs/dbraw/zinc/65/14/06/562651406.db2.gz	DRLDRNJRAVFUPX-UHFFFAOYSA-N	-1	3	557.217	5.179	1	30		KKEFHM
CCCCCCCCOC(=O)CC[C@H](NC(=O)c1nccc(OC)c1[O-])C(=O)OCCCCCCCC	ZINC000044052881	562651871	/nfs/dbraw/zinc/65/18/71/562651871.db2.gz	QEPJRARTEBSSCQ-QFIPXVFZSA-N	-1	3	522.683	5.482	1	30		KKEFHM
Cc1nc(C(=O)N2c3cccc([O-])c3N=C3CC(C)(C)CC(=O)C3[C@@H]2c2ccc(OCc3ccccc3)cc2F)cs1	ZINC000044404540	562656460	/nfs/dbraw/zinc/65/64/60/562656460.db2.gz	GYIGAWCRGDXXOJ-HKBQPEDESA-N	-1	3	583.685	7.332	1	30		KKEFHM
O=C(CN1CCCCC1)Nc1cc(COC(=O)CCCCCC2=CC(=O)c3cccc([O-])c3C2=O)cc(Nc2ccnc3ccc(Cl)cc32)c1	ZINC000049669641	562668129	/nfs/dbraw/zinc/66/81/29/562668129.db2.gz	QZIQXUJICKOVSY-UHFFFAOYSA-N	-1	3	695.216	7.761	1	30		KKEFHM
Cc1ccc(Nc2nc(N=NCc3cc4c(cc3Br)OCO4)nc([N-]c3ccc([N+](=O)[O-])cc3)n2)cc1C	ZINC000049745094	562673663	/nfs/dbraw/zinc/67/36/63/562673663.db2.gz	PRAOFIDDTADDKC-KKMKTNMSSA-N	-1	3	577.399	5.821	1	30		KKEFHM
[O-]c1c(CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cc(CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c(F)c1F	ZINC000049759957	562676113	/nfs/dbraw/zinc/67/61/13/562676113.db2.gz	MPHCFBYPDVYFDP-UHFFFAOYSA-N	-1	3	644.603	6.675	1	30		KKEFHM
Cc1cc(/C=N/n2cc(C(=O)c3ccccc3)c(-c3ccccc3)nc2=O)c([O-])c(/C=N/n2cc(C(=O)c3ccccc3)c(-c3ccccc3)nc2=O)c1	ZINC000049784651	562683669	/nfs/dbraw/zinc/68/36/69/562683669.db2.gz	TWSDPNFNGHOJRY-WYLAQJHRSA-N	-1	3	710.750	6.374	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@@H](C5)CC[C@H]2[C@](C)(C=CC=C(OC)C(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049863808	562689263	/nfs/dbraw/zinc/68/92/63/562689263.db2.gz	XLXIHRFXQCCMQW-DCCCSORXSA-N	-1	3	695.897	7.767	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@@H](C5)CC[C@H]2[C@](C)(C=CC=C(OC)C(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049863808	562689264	/nfs/dbraw/zinc/68/92/64/562689264.db2.gz	XLXIHRFXQCCMQW-DCCCSORXSA-N	-1	3	695.897	7.767	1	30		KKEFHM
CCCCCC(=O)c1c([O-])c2c(c3c1O[C@@]1(O)[C@@H]([C@@H](O)C(C)(C)C(=O)C1(C)C)[C@@H]3C(C)C)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]2C(C)C	ZINC000049888739	562691422	/nfs/dbraw/zinc/69/14/22/562691422.db2.gz	LSRMQOHHJSQPQG-FVYVYJCKSA-N	-1	3	680.879	7.178	1	30		KKEFHM
CCCCCCCCCCC/C=C\C(=O)N(O)CCCCCNC(=O)CCC(=O)N([O-])CCCCCNC(=O)[C@@H]1COC(c2ccccc2O)=N1	ZINC000049942654	562695578	/nfs/dbraw/zinc/69/55/78/562695578.db2.gz	XWMNRKXRGYSMGY-YWIDYDFISA-N	-1	3	715.933	5.804	1	30		KKEFHM
CC(C)[NH2+][C@@H](C)CC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3[O-])nc([N-]C(=O)c3ccco3)c2C#N)c1	ZINC000053242641	562696758	/nfs/dbraw/zinc/69/67/58/562696758.db2.gz	LBZXIMVHSCCDBC-SFHVURJKSA-N	-1	3	541.583	5.692	1	30		KKEFHM
CSC(C)=NOC(=O)N(C)SN(C([O-])=NC(=O)c1c(F)cccc1F)c1ccc(C(F)(F)F)c(Br)c1	ZINC000060178901	562702633	/nfs/dbraw/zinc/70/26/33/562702633.db2.gz	YZEFJQBKNGDRSU-ORBVJSQLSA-N	-1	3	615.400	6.431	1	30		KKEFHM
CSC(C)=NOC(=O)N(C)SN(C([O-])=NC(=O)c1c(F)cccc1F)c1ccc(Br)cc1	ZINC000060178876	562702576	/nfs/dbraw/zinc/70/25/76/562702576.db2.gz	RPNFKTIQQBIXTF-BHGWPJFGSA-N	-1	3	547.403	5.412	1	30		KKEFHM
CSC(C)=NOC(=O)N(C)SN(C(=O)[N-]C(=O)c1c(F)cccc1F)c1ccc(Br)cc1	ZINC000060178876	562702577	/nfs/dbraw/zinc/70/25/77/562702577.db2.gz	RPNFKTIQQBIXTF-BHGWPJFGSA-N	-1	3	547.403	5.412	1	30		KKEFHM
CSC(C)=NOC(=O)N(C)SN(C(=O)[N-]C(=O)c1c(F)cccc1F)c1ccc(C(F)(F)F)c(Br)c1	ZINC000060178901	562702634	/nfs/dbraw/zinc/70/26/34/562702634.db2.gz	YZEFJQBKNGDRSU-ORBVJSQLSA-N	-1	3	615.400	6.431	1	30		KKEFHM
C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N/[O-])cc2)=C(c2ccc(Nc3cccc(/C(N)=N/O)c3)cc2)O1	ZINC000064379369	562704921	/nfs/dbraw/zinc/70/49/21/562704921.db2.gz	FRXBYQWAULSLBA-JGCGQSQUSA-N	-1	3	597.697	5.183	1	30		KKEFHM
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@@](C)(C(=O)N[O-])CC[C@]4(C)CC[C@]23C)C1(C)C	ZINC000064513383	562706393	/nfs/dbraw/zinc/70/63/93/562706393.db2.gz	OSKOFHMVTLJAQQ-XWEVEMRCSA-N	-1	3	527.746	6.404	1	30		KKEFHM
O=C(/C=C/c1ccc(OC/C=C/c2ccccc2)cc1)N[C@@H](CCCCCC(=O)N[O-])C(=O)Nc1cccc2cccnc21	ZINC000064549603	562708092	/nfs/dbraw/zinc/70/80/92/562708092.db2.gz	BNYFRFXRVSTRME-BCPBAKTMSA-N	-1	3	592.696	5.920	1	30		KKEFHM
CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](Oc2cc([O-])cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000072107020	562721143	/nfs/dbraw/zinc/72/11/43/562721143.db2.gz	FQJHKGGWURKEFO-SMHIPHQGSA-N	-1	3	656.857	7.259	1	30		KKEFHM
CCCCc1ccc(C#Cc2ccc(S(=O)(=O)N[C@H](Cc3ccc(OCc4ccccc4)cc3)C(=O)N[O-])s2)cc1	ZINC000072142732	562729613	/nfs/dbraw/zinc/72/96/13/562729613.db2.gz	VZNWQFCLBMVARX-SSEXGKCCSA-N	-1	3	588.751	5.465	1	30		KKEFHM
CCc1ccc([C@@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1	ZINC000073221667	562736346	/nfs/dbraw/zinc/73/63/46/562736346.db2.gz	IDWBZRLHHNMOQH-HHHXNRCGSA-N	-1	3	542.632	6.065	1	30		KKEFHM
CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1	ZINC000073221667	562736347	/nfs/dbraw/zinc/73/63/47/562736347.db2.gz	IDWBZRLHHNMOQH-HHHXNRCGSA-N	-1	3	542.632	6.065	1	30		KKEFHM
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C/C=C/[C@@]([O-])(C(C)(F)F)C(F)(F)F)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1F	ZINC000084635157	562746118	/nfs/dbraw/zinc/74/61/18/562746118.db2.gz	ALXSXXXETIDKKV-GZNNEHOLSA-N	-1	3	606.732	8.557	1	30		KKEFHM
COc1ccc(/C=C/C(=O)C(=Cc2cc(OC)c([O-])c(OC)c2)C(=O)/C=C/c2ccc(OC)cc2OC)c(OC)c1	ZINC000084669233	562747962	/nfs/dbraw/zinc/74/79/62/562747962.db2.gz	ZQWFYYNRDFGEPW-UTLPMFLDSA-N	-1	3	560.599	5.392	1	30		KKEFHM
COc1ccc(C#C[C@@]([O-])(c2ccc(N(CC(C)C)S(=O)(=O)c3ccccc3)cc2)C(F)(F)F)cc1	ZINC000084690742	562749706	/nfs/dbraw/zinc/74/97/06/562749706.db2.gz	SPBPFJHZPFDYNQ-AREMUKBSSA-N	-1	3	517.569	5.348	1	30		KKEFHM
COc1cccc(C#C[C@@]([O-])(c2ccc(N(CC(C)C)S(=O)(=O)c3ccccc3)cc2)C(F)(F)F)c1	ZINC000084690740	562749726	/nfs/dbraw/zinc/74/97/26/562749726.db2.gz	WGCDCIPOZNKVON-AREMUKBSSA-N	-1	3	517.569	5.348	1	30		KKEFHM
O=C([N-]S(=O)(=O)CCC12CC3CC(CC(C3)C1)C2)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1	ZINC000084733150	562751858	/nfs/dbraw/zinc/75/18/58/562751858.db2.gz	ADQWEIHPMXLYGX-UHFFFAOYSA-N	-1	3	632.270	7.570	1	30		KKEFHM
CC12C[C@H]3C[C@@H](C1)CC(CS(=O)(=O)[N-]C(=O)c1ccc(N4CCN(Cc5ccccc5-c5ccc(Cl)cc5)CC4)cc1)(C3)C2	ZINC000084742138	562752239	/nfs/dbraw/zinc/75/22/39/562752239.db2.gz	OMZSWZSOPZBRAU-UBWXUJDQSA-N	-1	3	632.270	7.570	1	30		KKEFHM
CCCCCCCCCCCC(=O)N[C@@H](C(=O)[O-])[C@H]1NC(=O)[C@H](CC)NC(=O)[C@H](NC(=O)[C@H](N)CC(C)C)Cc2ccc(c([N+](=O)[O-])c2)Oc2cc1cc(O)c2OC	ZINC000095540004	562755445	/nfs/dbraw/zinc/75/54/45/562755445.db2.gz	FLOQPSRGTABBAP-MZIZYHAASA-N	-1	3	812.962	5.058	1	30		KKEFHM
N/C(=N\[O-])c1ccc(S(=O)(=O)C2=C(c3ccc(Nc4ccc(/C=C/c5ccc(/C(N)=N/O)cc5)cc4)cc3)OC(c3ccccc3)(c3ccccc3)C2)cc1	ZINC000095540763	562755991	/nfs/dbraw/zinc/75/59/91/562755991.db2.gz	XAHHZVXQIQYAPT-VAWYXSNFSA-N	-1	3	747.877	8.296	1	30		KKEFHM
CCCCCCCCCCCCCCCC[N+](C)(C)Cc1cc([O-])c2c(c1)C(=O)c1cc(OC)cc([O-])c1C2=O	ZINC000095558715	562762506	/nfs/dbraw/zinc/76/25/06/562762506.db2.gz	IRZDKWZNBRRNJS-UHFFFAOYSA-O	-1	3	552.776	7.940	1	30		KKEFHM
O=C([O-])Cc1ccc([C@@H](c2ccc(F)cc2)N2CCC(C(F)(F)F)CC2)c(-c2ccc(C(F)(F)F)cc2)c1	ZINC000095560461	562763071	/nfs/dbraw/zinc/76/30/71/562763071.db2.gz	UIZISIKYYZHFEB-AREMUKBSSA-N	-1	3	539.491	7.502	1	30		KKEFHM
CCCCCCCCCC[N+](C)(CCCCCCCCCC)Cc1cc([O-])c2c(c1)C(=O)c1cc(OC)cc([O-])c1C2=O	ZINC000095560799	562763167	/nfs/dbraw/zinc/76/31/67/562763167.db2.gz	HKFXKLPMXGPCJM-UHFFFAOYSA-O	-1	3	594.857	9.110	1	30		KKEFHM
CC(C)(C)O[N-]C(=O)CCCCCN1C(Nc2ccc(-c3ccccc3)cc2)=Nc2ccccc2[C@H]1CC(=O)NCc1ccccc1	ZINC000095561754	562763490	/nfs/dbraw/zinc/76/34/90/562763490.db2.gz	WYGUAPAVAGHGPG-PGUFJCEWSA-N	-1	3	631.821	7.923	1	30		KKEFHM
O=C(NCc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1)[C@@]([O-])(c1ccc(-c2ccc3cccnc3n2)cc1)C(F)(F)F	ZINC000095575496	562770335	/nfs/dbraw/zinc/77/03/35/562770335.db2.gz	IFYAGVZPYUZBML-LJAQVGFWSA-N	-1	3	599.506	7.188	1	30		KKEFHM
C[C@H](NC(=O)[C@]([O-])(c1ccc(-c2ccc3cccnc3n2)cc1)C(F)(F)F)c1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1	ZINC000095580533	562771869	/nfs/dbraw/zinc/77/18/69/562771869.db2.gz	IRMAYPNFECPMPF-YVGXBJCXSA-N	-1	3	613.533	7.749	1	30		KKEFHM
CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c3ccccc3n(CC(=O)[O-])c2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1	ZINC000095610279	562784275	/nfs/dbraw/zinc/78/42/75/562784275.db2.gz	DMPBNZKYHOVYRU-HSMZZXILSA-N	-1	3	749.523	7.477	1	30		KKEFHM
CS(=O)(=O)N(C[C@@H](C(=O)N[O-])N1CCC(c2ccccc2)CC1)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1	ZINC000096319037	562796627	/nfs/dbraw/zinc/79/66/27/562796627.db2.gz	WHHTZGVOGIKLTQ-SANMLTNESA-N	-1	3	577.625	5.017	1	30		KKEFHM
CC(=O)Oc1ccc([C@@H]2CCc3c(C#N)c([N-]C(=O)c4cc(S(=O)(=O)N5CCOCC5)c(Cl)cc4Cl)sc3C2)cc1	ZINC000096913661	562800351	/nfs/dbraw/zinc/80/03/51/562800351.db2.gz	MXSGIYONYCIHTO-GOSISDBHSA-N	-1	3	634.563	5.398	1	30		KKEFHM
Cn1cc2c(n1)nc(NCCCCNC(=S)Nc1ccc([C@@H]3c4ccc(O)cc4OC4=CC(=O)C=CC43)c(C(=O)[O-])c1)n1nc(-c3ccco3)nc21	ZINC000096914719	562800856	/nfs/dbraw/zinc/80/08/56/562800856.db2.gz	INPOPWSUUIWRAQ-JHOBJCJYSA-N	-1	3	717.768	5.017	1	30		KKEFHM
C[C@H]([N-]S(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(C4CC4)cc3n2C2CCC2)nc1)C(F)(F)F	ZINC000103270491	562822941	/nfs/dbraw/zinc/82/29/41/562822941.db2.gz	JHNPXUVRJFQRHI-ZDUSSCGKSA-N	-1	3	506.525	5.546	1	30		KKEFHM
COC(c1ccc(C(=O)N(C)CCCCCCC(=O)N[O-])cc1)(c1cccc(F)c1)c1cccc(F)c1	ZINC000118362276	562830259	/nfs/dbraw/zinc/83/02/59/562830259.db2.gz	HKWZWUVMLKEMRP-UHFFFAOYSA-N	-1	3	510.581	5.431	1	30		KKEFHM
C[Si](C)(C)CC[C@@H](CCC(F)(F)F)N1CCC(F)(F)[C@H](CC(=O)[O-])[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000195251549	562871591	/nfs/dbraw/zinc/87/15/91/562871591.db2.gz	XCIBTYSKLIBYCP-QWFCFKBJSA-N	-1	3	533.576	7.618	1	30		KKEFHM
C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)c(F)c1)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000201511559	562873512	/nfs/dbraw/zinc/87/35/12/562873512.db2.gz	NXBDTIZSKZYBRI-ODTCIBSJSA-N	-1	3	561.698	5.735	1	30		KKEFHM
C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CCCc1ccc(-c2ccccc2)cc1)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000213422976	562877209	/nfs/dbraw/zinc/87/72/09/562877209.db2.gz	FKSBYESEMYJJHL-KNHXXRFOSA-N	-1	3	543.708	5.596	1	30		KKEFHM
CC(C)(C)[C@H](NC(=O)[C@@H](CCCc1ccc(-c2ccccc2)c(F)c1)CC(=O)N[O-])C(=O)NC(c1ccccc1)c1ccccc1	ZINC000213428817	562877211	/nfs/dbraw/zinc/87/72/11/562877211.db2.gz	ZWHGWUJFPYMQHK-LWQYYNMXSA-N	-1	3	623.769	6.764	1	30		KKEFHM
CC1(C)CN(c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2c1c(-c1ccc(C(F)(F)F)nc1)c(F)cc2[O-]	ZINC000220379639	562878454	/nfs/dbraw/zinc/87/84/54/562878454.db2.gz	IADJPQJCZWGCOW-UHFFFAOYSA-N	-1	3	620.525	8.584	1	30		KKEFHM
CC(C)(C)OC(=O)N=C([N-]C(=O)OC(C)(C)C)Nc1cccc(C(=O)NCC2(Nc3ccccc3)CCN(Cc3ccccc3)CC2)c1	ZINC000299826530	562883874	/nfs/dbraw/zinc/88/38/74/562883874.db2.gz	MFCNLNAJVNURNL-UHFFFAOYSA-N	-1	3	656.828	6.791	1	30		KKEFHM
Cc1ccc(-c2ccc([C@]3(C)CC(S(=O)(=O)c4ccc(F)cc4)=C(c4ccc(/C(N)=N\[O-])cc4)O3)cc2)cc1	ZINC000299833790	562886267	/nfs/dbraw/zinc/88/62/67/562886267.db2.gz	IRAVUMFFQMTRRA-HKBQPEDESA-N	-1	3	542.632	6.374	1	30		KKEFHM
CC(C)=CC[C@H]1C[C@@]23C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(OC(=O)c4ccc([O-])c(O)c4)=C2OC1(C)C)C3=O	ZINC000299834052	562886393	/nfs/dbraw/zinc/88/63/93/562886393.db2.gz	RDDLFZCCGRCSQD-PFACJMQPSA-N	-1	3	618.811	8.521	1	30		KKEFHM
[O-]C(C1=C(NNC2=C(C(O)(C(F)(F)Cl)C(F)(F)Cl)CCC2)CCC1)(C(F)(F)Cl)C(F)(F)Cl	ZINC000299844272	562889249	/nfs/dbraw/zinc/88/92/49/562889249.db2.gz	FAYSHFCADZNKIX-XNGDRORRSA-N	-1	3	562.112	6.172	1	30		KKEFHM
O=C(CCCCCCC(=O)N1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1)N[O-]	ZINC000299859803	562892810	/nfs/dbraw/zinc/89/28/10/562892810.db2.gz	IJOMTTFPAOSPTO-ZZXKWVIFSA-N	-1	3	529.641	5.401	1	30		KKEFHM
COc1ccc(S(=O)(=O)[N-]c2ccc(C3C4=C(CC(C)(C)CC4=O)N(c4ccc(S(N)(=O)=O)cc4)C4=C3C(=O)CC(C)(C)C4)cc2)cc1	ZINC000473113227	562898747	/nfs/dbraw/zinc/89/87/47/562898747.db2.gz	HZUPRCMKJDIJCZ-UHFFFAOYSA-N	-1	3	689.856	6.034	1	30		KKEFHM
CC(C)=CCC/C(C)=C/Cc1c([O-])c(CC=C(C)C)c2c(c1O)C(=O)C1=C[C@@H]3C[C@H]4C(C)(C)O[C@@](C/C=C(/C)C(=O)OCCCN5CCOCC5)(C3=O)[C@@]14O2	ZINC000653751778	562910730	/nfs/dbraw/zinc/91/07/30/562910730.db2.gz	YEZWNSGKIYPXMC-BRUOGCMUSA-N	-1	3	757.965	7.450	1	30		KKEFHM
C=CCO[N-]C(=O)[C@]12CC[C@@H](C(=C)C)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2	ZINC000653790889	562912640	/nfs/dbraw/zinc/91/26/40/562912640.db2.gz	BUSYELJZKBAPGP-KNGBOHGISA-N	-1	3	553.828	7.810	1	30		KKEFHM
CO[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)c(C)c1)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000653813305	562913945	/nfs/dbraw/zinc/91/39/45/562913945.db2.gz	MDNBGABATBOAOY-JUQKIHQQSA-N	-1	3	573.734	5.489	1	30		KKEFHM
CO[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)c(C)c1)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000653813303	562913950	/nfs/dbraw/zinc/91/39/50/562913950.db2.gz	MDNBGABATBOAOY-DPJKJRSDSA-N	-1	3	573.734	5.489	1	30		KKEFHM
CO[C@H](NC(=O)[C@H](NC(=O)[C@@H](CCCc1ccc(-c2ccccc2)c(C)c1)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000653813304	562913966	/nfs/dbraw/zinc/91/39/66/562913966.db2.gz	MDNBGABATBOAOY-JIBXKPLWSA-N	-1	3	573.734	5.489	1	30		KKEFHM
C/C=C1/C[C@@H](c2cc(CO)cc(NC[C@H](C)O)c2)C#C[C@H]2CC(=O)Oc3cc([O-])c(cc32)C[C@H]([C@@](C)(O)[C@@H]2CCC(=O)C3(CCCC3)C2)OC1=O	ZINC000085571687	565145943	/nfs/dbraw/zinc/14/59/43/565145943.db2.gz	FFZKLQFUVIPVGO-DDPCQBJRSA-N	-1	3	699.841	5.342	1	30	biogenic,in-vitro	KKEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCCC[C@H]31)O[C@@H]2Cc1cccc([C@@H](N)NCCC(C)C)c1	ZINC000103527883	565193569	/nfs/dbraw/zinc/19/35/69/565193569.db2.gz	HTBZYRVCNNLMGS-CJUVPFIHSA-N	-1	3	604.744	5.521	1	30	biogenic,in-vitro	KKEFHM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCCC[C@H]31)O[C@@H]2Cc1cccc([C@@H](N)NCCC(C)C)c1	ZINC000103527883	565193572	/nfs/dbraw/zinc/19/35/72/565193572.db2.gz	HTBZYRVCNNLMGS-CJUVPFIHSA-N	-1	3	604.744	5.521	1	30	biogenic,in-vitro	KKEFHM
C/C=C1/C[C@@H](c2cc(CO)c(CCCCC)c(NC[C@H](C)O)c2)C#C[C@H]2CC(=O)Oc3cc([O-])c(cc32)C[C@H]([C@]2(O)CCC[C@H]3CC(=O)CC[C@H]32)OC1=O	ZINC000085571665	291886889	/nfs/dbraw/zinc/88/68/89/291886889.db2.gz	JGOLAXFMKLCTFV-FIYGXQLWSA-N	-1	3	741.922	6.295	1	30	biogenic,in-vitro	KKEFHM
CO[C@@]12Oc3c(CC=C(C)C)c4c(c([O-])c3C(=O)C1=C[C@H](C(=O)CCC=C(C)C)C[C@H]2C)C=CC(C)(C)O4	ZINC000085493150	291963398	/nfs/dbraw/zinc/96/33/98/291963398.db2.gz	DUPDAPUNUGEWMI-FZXPRRQPSA-N	-1	3	520.666	6.901	1	30	biogenic,in-vitro	KKEFHM
COc1cc([O-])c2c(c1C(=O)/C=C/c1ccc(O)cc1)O[C@@H](c1ccc(O)cc1)C[C@H]2C[C@@H](O)CCc1ccc(O)cc1	ZINC000044351247	291971508	/nfs/dbraw/zinc/97/15/08/291971508.db2.gz	WVMXLWIYDSSCRW-KBYRMXMQSA-N	-1	3	582.649	6.405	1	30	biogenic,in-vitro	KKEFHM
C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)CC(=O)N(C)[O-])c3S1	ZINC000026668568	561811811	/nfs/dbraw/zinc/81/18/11/561811811.db2.gz	NOAXZQNIKFBNGQ-XMMPIXPASA-N	-1	3	640.249	8.827	1	30		KKEFHM
O=C(CN(CCCc1ccccc1)C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)N[O-]	ZINC000026672421	561812695	/nfs/dbraw/zinc/81/26/95/561812695.db2.gz	WWORPQDFFFNCBZ-UHFFFAOYSA-N	-1	3	594.712	5.912	1	30		KKEFHM
CCC[C@@H](C)N(CC(=O)N[O-])C(=O)CN(C(=O)Nc1ccc2ccccc2c1)[C@H]1CCCc2ccccc21	ZINC000026717169	561814353	/nfs/dbraw/zinc/81/43/53/561814353.db2.gz	JDAADLBCXSWLIJ-ZBLYBZFDSA-N	-1	3	516.642	5.274	1	30		KKEFHM
O=C(CN(C(=O)CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCc2ccccc21)[C@H]1CCCc2ccccc21)N[O-]	ZINC000026722281	561815388	/nfs/dbraw/zinc/81/53/88/561815388.db2.gz	CQWGNGOLUOZZBZ-SZAHLOSFSA-N	-1	3	618.734	6.802	1	30		KKEFHM
CC(C)(C)N(CC(=O)N[O-])C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1	ZINC000026728503	561816259	/nfs/dbraw/zinc/81/62/59/561816259.db2.gz	XMSYMMKQCALYGM-UHFFFAOYSA-N	-1	3	532.641	5.078	1	30		KKEFHM
CCc1cc(CCC[C@H](CC(=O)N[O-])C(=O)N[C@H](C(=O)N[C@H](C)c2ccccc2)C(C)(C)C)ccc1-c1ccccc1	ZINC000027647909	561876152	/nfs/dbraw/zinc/87/61/52/561876152.db2.gz	FCZUABNOVRUEJK-GSVBYQBUSA-N	-1	3	571.762	6.159	1	30		KKEFHM
C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)c(F)c1)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000027648844	561876215	/nfs/dbraw/zinc/87/62/15/561876215.db2.gz	NXBDTIZSKZYBRI-BCAKYAHRSA-N	-1	3	561.698	5.735	1	30		KKEFHM
CC(C)(C)[C@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)cc1)CC(=O)N[O-])C(=O)NC(c1ccccc1)c1ccccc1	ZINC000027648753	561876223	/nfs/dbraw/zinc/87/62/23/561876223.db2.gz	YWZDVYPIFZUSBG-FHPVIJFVSA-N	-1	3	605.779	6.625	1	30		KKEFHM
Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)OC2c3ccccc3-c3ccccc32)C(=O)N[O-])cc1	ZINC000028130352	561905560	/nfs/dbraw/zinc/90/55/60/561905560.db2.gz	MZSDTEPJXAYEFU-NDEPHWFRSA-N	-1	3	579.719	5.182	1	30		KKEFHM
COc1cccc(CO[C@H](CCCCCC(=O)N[O-])C(=O)N(Cc2cccc(OC)c2)c2ccccc2)c1	ZINC000028956715	561983216	/nfs/dbraw/zinc/98/32/16/561983216.db2.gz	GQYGFAUYQDPLCF-MUUNZHRXSA-N	-1	3	520.626	5.278	1	30		KKEFHM
COc1ccc(S(=O)(=O)[C@H](CC(=O)N[O-])c2ccc(OCc3ccccc3)cc2)cc1OC1CCCC1	ZINC000029393582	562018011	/nfs/dbraw/zinc/01/80/11/562018011.db2.gz	CSLQYGQMUXSECS-HHHXNRCGSA-N	-1	3	525.623	5.006	1	30		KKEFHM
COc1ccc(S(=O)(=O)[C@H](CCc2ccc(Oc3ccccc3)cc2)CC(=O)N[O-])cc1OC1CCCC1	ZINC000029396166	562018625	/nfs/dbraw/zinc/01/86/25/562018625.db2.gz	OFWLISQOQVGMBV-AREMUKBSSA-N	-1	3	539.650	5.480	1	30		KKEFHM
CO[C@H]1[C@@H](N(C)OC(=O)C(C)(C)C)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)[N-]C4=O	ZINC000034800315	562040907	/nfs/dbraw/zinc/04/09/07/562040907.db2.gz	ZLCCIRZPNQBHKE-ZDXWHTAPSA-N	-1	3	580.641	5.211	1	30		KKEFHM
CCCCCCCCCCCCCCCCCCOc1c(OC)cc2oc(-c3ccc(O)c(O)c3)cc([O-])c-2c1=O	ZINC000036241669	562051854	/nfs/dbraw/zinc/05/18/54/562051854.db2.gz	YGGCEOCZLJQQGX-UHFFFAOYSA-N	-1	3	568.751	9.226	1	30		KKEFHM
CCCCCCCCCCCCCCCCCCOc1c(OC)cc2oc(-c3ccc([O-])c(O)c3)cc(=O)c2c1OC	ZINC000036241697	562052057	/nfs/dbraw/zinc/05/20/57/562052057.db2.gz	GSYQTUFLWFESEU-UHFFFAOYSA-N	-1	3	582.778	9.529	1	30		KKEFHM
O=C(CCCCCCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCc1ccccc1)N[O-]	ZINC000042805738	562089285	/nfs/dbraw/zinc/08/92/85/562089285.db2.gz	LDVBJYSPVMJGPJ-DHUJRADRSA-N	-1	3	605.779	6.498	1	30		KKEFHM
CCCCCCCCCCCCCCCCCCOc1cc([O-])c2c(c1)O[C@@H](c1ccc(OC)c(O)c1)CC2=O	ZINC000043285099	562647345	/nfs/dbraw/zinc/64/73/45/562647345.db2.gz	AIPSOAWTFQHLGK-JGCGQSQUSA-N	-1	3	554.768	9.453	1	30		KKEFHM
CCCCCCCC/C=C\CCCCCCCCOc1cc([O-])c2c(c1)O[C@H](c1ccc(OC)c(O)c1)CC2=O	ZINC000043285174	562647350	/nfs/dbraw/zinc/64/73/50/562647350.db2.gz	BKKFBXLJXKRVEF-ZWKXJJLDSA-N	-1	3	552.752	9.229	1	30		KKEFHM
CCCCCCCCCCCCCCCCOc1cc([O-])c2c(c1)O[C@H](c1ccc(OC)c(O)c1)CC2=O	ZINC000043285391	562647421	/nfs/dbraw/zinc/64/74/21/562647421.db2.gz	GUAMXRWOZXOBOV-PMERELPUSA-N	-1	3	526.714	8.673	1	30		KKEFHM
O=C(Nc1ccc(Cc2nnn[n-]2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F	ZINC000043450405	562648556	/nfs/dbraw/zinc/64/85/56/562648556.db2.gz	VTNAUVUJVXMHJI-UHFFFAOYSA-N	-1	3	603.261	5.441	1	30		KKEFHM
O=C(Nc1ccc(Cc2nn[n-]n2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F	ZINC000043450405	562648557	/nfs/dbraw/zinc/64/85/57/562648557.db2.gz	VTNAUVUJVXMHJI-UHFFFAOYSA-N	-1	3	603.261	5.441	1	30		KKEFHM
C=C[C@]1(C)C[C@@H](OC([O-])=NC(=O)C2CCN(C(=O)CSc3ccccc3)CC2)[C@@]2(C)[C@@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O	ZINC000049605512	562665975	/nfs/dbraw/zinc/66/59/75/562665975.db2.gz	XYBIYDOUUAJSKS-VPLGBSEVSA-N	-1	3	624.844	5.633	1	30		KKEFHM
C=C[C@]1(C)C[C@@H](OC(=O)[N-]C(=O)C2CCN(C(=O)CSc3ccccc3)CC2)[C@@]2(C)[C@@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O	ZINC000049605512	562665976	/nfs/dbraw/zinc/66/59/76/562665976.db2.gz	XYBIYDOUUAJSKS-VPLGBSEVSA-N	-1	3	624.844	5.633	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@](C)(C=CC=C(CC)C(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049804002	562686281	/nfs/dbraw/zinc/68/62/81/562686281.db2.gz	KVJHZYMACRMECF-MVCWHVMQSA-N	-1	3	693.925	8.573	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@](C)(C=CC=C(CC)C(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049804002	562686282	/nfs/dbraw/zinc/68/62/82/562686282.db2.gz	KVJHZYMACRMECF-MVCWHVMQSA-N	-1	3	693.925	8.573	1	30		KKEFHM
CC(C)(C)CC[C@]1(NCc2csc3ccccc23)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000049881869	562691211	/nfs/dbraw/zinc/69/12/11/562691211.db2.gz	KQDZEPDLUKVLFZ-XIFFEERXSA-N	-1	3	678.858	6.149	1	30		KKEFHM
CC[NH2+][C@@H](C)CC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3[O-])nc([N-]C(=O)c3ccco3)c2C#N)c1	ZINC000053295615	562697356	/nfs/dbraw/zinc/69/73/56/562697356.db2.gz	LRBNYCDMNJELGI-KRWDZBQOSA-N	-1	3	527.556	5.304	1	30		KKEFHM
C=C1[C@H](C/C=C(\C)[C@H]2Cc3c(O)ccc([O-])c3-c3oc4ccccc4c(=O)c32)[C@@]2(C)CCCC(C)(C)[C@@H]2C[C@@H]1O	ZINC000058538231	562698802	/nfs/dbraw/zinc/69/88/02/562698802.db2.gz	AHTDOSQUZMXRQZ-LLZUVQGVSA-N	-1	3	540.700	7.617	1	30		KKEFHM
CSC(C)=NOC(=O)N(C)SN(C([O-])=NC(=O)c1c(Cl)cccc1Cl)c1ccc(Br)cc1	ZINC000060178907	562702591	/nfs/dbraw/zinc/70/25/91/562702591.db2.gz	KXSMYRDXEFQVDP-BHGWPJFGSA-N	-1	3	580.313	6.440	1	30		KKEFHM
CSC(C)=NOC(=O)N(C)SN(C(=O)[N-]C(=O)c1c(Cl)cccc1Cl)c1ccc(Br)cc1	ZINC000060178907	562702592	/nfs/dbraw/zinc/70/25/92/562702592.db2.gz	KXSMYRDXEFQVDP-BHGWPJFGSA-N	-1	3	580.313	6.440	1	30		KKEFHM
CSC(C)=NOC(=O)N(C)SN(C([O-])=NC(=O)c1c(Cl)cccc1Cl)c1ccc(OC(F)(F)F)cc1	ZINC000060178900	562702597	/nfs/dbraw/zinc/70/25/97/562702597.db2.gz	IQQMGTVORIQRTO-LUOAPIJWSA-N	-1	3	585.413	6.576	1	30		KKEFHM
CSC(C)=NOC(=O)N(C)SN(C(=O)[N-]C(=O)c1c(Cl)cccc1Cl)c1ccc(OC(F)(F)F)cc1	ZINC000060178900	562702598	/nfs/dbraw/zinc/70/25/98/562702598.db2.gz	IQQMGTVORIQRTO-LUOAPIJWSA-N	-1	3	585.413	6.576	1	30		KKEFHM
C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC1CCC(C(F)(F)F)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1	ZINC000060329092	562702853	/nfs/dbraw/zinc/70/28/53/562702853.db2.gz	MANSNVFOMQIECA-IGEOTXOUSA-N	-1	3	585.542	5.531	1	30		KKEFHM
C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(Nc3ccc(/C(N)=N/O)cc3)cc2)=C(c2ccc(/C(N)=N/[O-])cc2)O1	ZINC000064321115	562704738	/nfs/dbraw/zinc/70/47/38/562704738.db2.gz	KKIIIEUCDIGNTG-YTTGMZPUSA-N	-1	3	597.697	5.183	1	30		KKEFHM
C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(Nc3ccc(/C(N)=N/O)cc3)cc2)=C(c2ccc(/C(N)=N/[O-])cc2)O1	ZINC000064321117	562704781	/nfs/dbraw/zinc/70/47/81/562704781.db2.gz	KKIIIEUCDIGNTG-JGCGQSQUSA-N	-1	3	597.697	5.183	1	30		KKEFHM
O=C(/C(=C\c1ccc(O)cc1[O-])Sc1ccccc1Br)c1ccc(Br)cc1	ZINC000064503859	562706104	/nfs/dbraw/zinc/70/61/04/562706104.db2.gz	ZUDXHUOXQMZUEA-RGVLZGJSSA-N	-1	3	506.215	6.639	1	30		KKEFHM
C[C@H](C(=O)N[C@@H](CCCCCC(=O)N[O-])C(=O)Nc1cccc2cccnc21)c1ccc(N2Cc3ccccc3C2=O)cc1	ZINC000064549263	562708011	/nfs/dbraw/zinc/70/80/11/562708011.db2.gz	QSCRFRDEFSVLJA-ZTOMLWHTSA-N	-1	3	593.684	5.078	1	30		KKEFHM
C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(C(F)(F)F)cc2)=C(c2ccc(/C(N)=N/[O-])cc2)O1	ZINC000072171073	562730438	/nfs/dbraw/zinc/73/04/38/562730438.db2.gz	ACYRFSUHBDNUNJ-VWLOTQADSA-N	-1	3	516.541	5.364	1	30		KKEFHM
O=C([O-])Cc1ccc([C@H](CCC(F)(F)F)N2CCC(C(F)(F)F)CC2)c(-c2ccc(C(F)(F)F)cc2)c1	ZINC000073199759	562736064	/nfs/dbraw/zinc/73/60/64/562736064.db2.gz	ZWKSBMYSXRJENI-NRFANRHFSA-N	-1	3	541.454	7.657	1	30		KKEFHM
CC(C)CN(c1ccc([C@@]([O-])(C#Cc2cccc(C(F)(F)F)c2)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1	ZINC000084687793	562749048	/nfs/dbraw/zinc/74/90/48/562749048.db2.gz	IPVOYRALYXDGRZ-VWLOTQADSA-N	-1	3	555.540	6.358	1	30		KKEFHM
CCOc1ccc(C#C[C@@]([O-])(c2ccc(N(CC(C)C)S(=O)(=O)c3ccccc3)cc2)C(F)(F)F)cc1	ZINC000084689287	562749287	/nfs/dbraw/zinc/74/92/87/562749287.db2.gz	GUGYXTSGMDPJSE-HHHXNRCGSA-N	-1	3	531.596	5.738	1	30		KKEFHM
Cc1cc([N+](=O)[O-])ccc1C#C[C@@]([O-])(c1ccc(N(CC(C)C)S(=O)(=O)c2ccccc2)cc1)C(F)(F)F	ZINC000084689352	562749339	/nfs/dbraw/zinc/74/93/39/562749339.db2.gz	NGVQTVNPIHWYMH-AREMUKBSSA-N	-1	3	546.567	5.556	1	30		KKEFHM
CC(C)CN(c1ccc([C@@]([O-])(C#Cc2ccc(S(=O)(=O)C(F)(F)F)cc2)C(F)(F)F)cc1)S(=O)(=O)c1cccc(C#N)c1	ZINC000084709664	562750340	/nfs/dbraw/zinc/75/03/40/562750340.db2.gz	SDOPOZOIFATKAJ-SANMLTNESA-N	-1	3	644.615	5.505	1	30		KKEFHM
Clc1cccc(Cn2c(C=N[N-]c3nc4ccsc4c(N4CCOCC4)n3)nc3ccccc32)c1Cl	ZINC000084729631	562751563	/nfs/dbraw/zinc/75/15/63/562751563.db2.gz	NSTUASUGUDLXGC-CCVNUDIWSA-N	-1	3	538.464	5.679	1	30		KKEFHM
Clc1cccc(Cn2c(C=N[N-]c3nc4ccsc4c(N4CCOCC4)n3)nc3ccccc32)c1	ZINC000084732548	562751822	/nfs/dbraw/zinc/75/18/22/562751822.db2.gz	APVYWFQPWMQFAL-JFLMPSFJSA-N	-1	3	504.019	5.025	1	30		KKEFHM
O=C([N-]S(=O)(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1	ZINC000084733162	562751860	/nfs/dbraw/zinc/75/18/60/562751860.db2.gz	NEAFNKUKLVBCKW-UHFFFAOYSA-N	-1	3	619.231	6.437	1	30		KKEFHM
COc1cc(C=C(C(=O)/C=C/c2cccc(OC)c2OC)C(=O)/C=C/c2cccc(OC)c2OC)cc(OC)c1[O-]	ZINC000084757375	562752436	/nfs/dbraw/zinc/75/24/36/562752436.db2.gz	JLCGZNBIKIXABD-WXUKJITCSA-N	-1	3	560.599	5.392	1	30		KKEFHM
CCCCCCCCCCCC(=O)N[C@@H](C(=O)[O-])[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@H](NC(=O)[C@H](N)CC(C)C)Cc2ccc(c([N+](=O)[O-])c2)Oc2cc1cc(O)c2OC	ZINC000095540005	562755439	/nfs/dbraw/zinc/75/54/39/562755439.db2.gz	FLOQPSRGTABBAP-ARQOYFJHSA-N	-1	3	812.962	5.058	1	30		KKEFHM
CCCCCCCC[N+](C)(CCCCCCCC)Cc1cc([O-])c2c(c1)C(=O)c1cc(OC)cc([O-])c1C2=O	ZINC000095560455	562763057	/nfs/dbraw/zinc/76/30/57/562763057.db2.gz	HHSDOIMEQMCUJF-UHFFFAOYSA-O	-1	3	538.749	7.549	1	30		KKEFHM
CC(C)(C)O[N-]C(=O)CCCCCN1C(Nc2ccc(-c3ccccc3)cc2)=Nc2ccccc2[C@@H]1CC(=O)NCc1ccccc1	ZINC000095561755	562763459	/nfs/dbraw/zinc/76/34/59/562763459.db2.gz	WYGUAPAVAGHGPG-DHUJRADRSA-N	-1	3	631.821	7.923	1	30		KKEFHM
C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1ccc(C(F)(F)F)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1	ZINC000096270893	562793432	/nfs/dbraw/zinc/79/34/32/562793432.db2.gz	NCOGYDJILOPAGR-AWEZNQCLSA-N	-1	3	593.521	5.629	1	30		KKEFHM
C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1ccc(C(F)(F)F)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1	ZINC000096270894	562793449	/nfs/dbraw/zinc/79/34/49/562793449.db2.gz	NCOGYDJILOPAGR-CQSZACIVSA-N	-1	3	593.521	5.629	1	30		KKEFHM
C[C@]1(CCCC2CCCCC2)c2ccccc2C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O	ZINC000096901668	562797120	/nfs/dbraw/zinc/79/71/20/562797120.db2.gz	RHVVSBKUUYEASL-NDEPHWFRSA-N	-1	3	571.721	5.131	1	30		KKEFHM
C[C@]1(CCCC2CCCCC2)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000096901668	562797121	/nfs/dbraw/zinc/79/71/21/562797121.db2.gz	RHVVSBKUUYEASL-NDEPHWFRSA-N	-1	3	571.721	5.131	1	30		KKEFHM
CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\[O-])C[C@@H]12)c1ccccc1OC	ZINC000096932704	562803506	/nfs/dbraw/zinc/80/35/06/562803506.db2.gz	MJJHKEQBZWDTNE-SAWFESLLSA-N	-1	3	643.787	7.420	1	30		KKEFHM
CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\[O-])C[C@@H]12)c1ccc(C)cc1	ZINC000096932706	562803539	/nfs/dbraw/zinc/80/35/39/562803539.db2.gz	UASHYGVSRHBFOJ-JUKOORMISA-N	-1	3	627.788	7.720	1	30		KKEFHM
CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\[O-])C[C@@H]12)c1ccc(Br)cc1	ZINC000096935432	562804122	/nfs/dbraw/zinc/80/41/22/562804122.db2.gz	JCFWMJKFVCHXKB-SSXXBGJTSA-N	-1	3	692.657	8.174	1	30		KKEFHM
COc1ccccc1N1CCN(Cn2nc(C34CC5CC(CC(C5)C3)C4)n(/N=C/c3ccccc3[O-])c2=S)CC1	ZINC000096937736	562804315	/nfs/dbraw/zinc/80/43/15/562804315.db2.gz	IUDKWUOOVLAFLU-UZWMFBFFSA-N	-1	3	558.752	5.258	1	30		KKEFHM
CC[C@@H](C)C1=CC(C=CC(=O)c2ccc([O-])cc2)=CC(=CNCCCNc2ccnc3cc(Cl)ccc32)C1=O	ZINC000102974397	562813809	/nfs/dbraw/zinc/81/38/09/562813809.db2.gz	QKZNMAMOPDKHNQ-HFTPVNFESA-N	-1	3	542.079	6.790	1	30		KKEFHM
CC[C@@H](C)C1=CC(C=CC(=O)c2ccc([O-])cc2)=CC(=CNCCNc2ccnc3cc(Cl)ccc32)C1=O	ZINC000102974489	562813862	/nfs/dbraw/zinc/81/38/62/562813862.db2.gz	YVVZDGCSTIBOMD-TXFKAVCVSA-N	-1	3	528.052	6.400	1	30		KKEFHM
Cc1nc(C(C)(C)C)sc1C(=O)[N-]c1nnc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1	ZINC000103179330	562815209	/nfs/dbraw/zinc/81/52/09/562815209.db2.gz	QTTVCJPGRMIOCA-UHFFFAOYSA-N	-1	3	500.412	5.778	1	30		KKEFHM
CN(CCCCCCC(=O)N[O-])C(=O)c1ccc(C(O)(c2ccc(F)cc2F)c2ccc(F)cc2F)cc1	ZINC000118355412	562830234	/nfs/dbraw/zinc/83/02/34/562830234.db2.gz	AKAQIBHYTWPOBS-UHFFFAOYSA-N	-1	3	532.534	5.055	1	30		KKEFHM
C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CCC(C(F)(F)F)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1	ZINC000145617442	562837392	/nfs/dbraw/zinc/83/73/92/562837392.db2.gz	GOLFMGJVINWTIM-AWEZNQCLSA-N	-1	3	569.543	5.415	1	30		KKEFHM
CCN(CC)c1ccc(/C=N/c2ccc(-n3c(=O)c4cc(Br)ccc4nc3Cc3ccccc3Nc3c(Cl)cccc3Cl)cc2)c([O-])c1	ZINC000150586869	562845860	/nfs/dbraw/zinc/84/58/60/562845860.db2.gz	SGMLMDAUMINWJT-SNDAAJCPSA-N	-1	3	741.517	10.092	1	30		KKEFHM
C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CCc1ccc(-c2ccc(F)cc2)cc1)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000213423226	562877219	/nfs/dbraw/zinc/87/72/19/562877219.db2.gz	ZFQPFNFJKNLTIW-YRKLHJTHSA-N	-1	3	547.671	5.345	1	30		KKEFHM
CCc1cc(CCC[C@H](CC(=O)N[O-])C(=O)N[C@H](C(=O)N[C@@H](C)c2ccccc2)C(C)(C)C)ccc1-c1ccccc1	ZINC000213427561	562877241	/nfs/dbraw/zinc/87/72/41/562877241.db2.gz	FCZUABNOVRUEJK-RJVZZWLCSA-N	-1	3	571.762	6.159	1	30		KKEFHM
Cc1ccc2ccc([C@H](Nc3cccnc3)c3c(F)c(F)c(OCC(F)(F)F)c(F)c3F)c([O-])c2n1	ZINC000219237735	562878015	/nfs/dbraw/zinc/87/80/15/562878015.db2.gz	DTLSGZWDANMNFV-NRFANRHFSA-N	-1	3	511.397	6.343	1	30		KKEFHM
CCCCCCCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN(Cc2ccc(C(C)(C)C)nc2)C3)c(F)c1	ZINC000220156827	562878361	/nfs/dbraw/zinc/87/83/61/562878361.db2.gz	WCKQYLHFVJAQIX-UHFFFAOYSA-N	-1	3	581.798	7.617	1	30		KKEFHM
C[C@]1(c2ccc(-c3ccncc3)cc2)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\[O-])cc2)O1	ZINC000299837087	562887417	/nfs/dbraw/zinc/88/74/17/562887417.db2.gz	PKOVPIWRLKGJEP-GDLZYMKVSA-N	-1	3	529.593	5.460	1	30		KKEFHM
C[C@@]1(c2ccc(-c3cccc(/C(N)=N\O)c3)cc2)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\[O-])cc2)O1	ZINC000299838817	562887973	/nfs/dbraw/zinc/88/79/73/562887973.db2.gz	WBNJXCYKRJQORV-HKBQPEDESA-N	-1	3	586.645	5.160	1	30		KKEFHM
C=C(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](NC(=O)[C@H]6CCCCN6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12	ZINC000299859160	562892660	/nfs/dbraw/zinc/89/26/60/562892660.db2.gz	HSHAQBPLWGTRIQ-RGZXMCKMSA-N	-1	3	566.871	7.356	1	30		KKEFHM
COc1ncc(-c2ccc3nccc(C#CCN4CCCC[C@@H]4C)c3c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1F	ZINC000653691235	562906745	/nfs/dbraw/zinc/90/67/45/562906745.db2.gz	MAYAWDJAGLJSLO-FQEVSTJZSA-N	-1	3	562.642	5.610	1	30		KKEFHM
CCCCCCCOc1cc([O-])c2c(c1)O[C@H](c1ccc3c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@H](CO)O3)[C@@H](O)C2=O	ZINC000653703974	562907615	/nfs/dbraw/zinc/90/76/15/562907615.db2.gz	VIDIHKFKIQDZIJ-GDWLNVSCSA-N	-1	3	580.630	5.006	1	30		KKEFHM
C=CCc1ccc([O-])c(-c2cc(CC=C)ccc2OC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)c1	ZINC000653706722	562907839	/nfs/dbraw/zinc/90/78/39/562907839.db2.gz	OMBFIPUKSNKRAS-UHFFFAOYSA-N	-1	3	529.558	8.498	1	30		KKEFHM
CCN(CC)CCOC(=O)/C(C)=C\C[C@@]12OC(C)(C)[C@@H]3C[C@@H](C=C4C(=O)c5c(O)c(C/C=C(\C)CCC=C(C)C)c([O-])c(CC=C(C)C)c5O[C@]431)C2=O	ZINC000653757061	562910992	/nfs/dbraw/zinc/91/09/92/562910992.db2.gz	DEBASJZOGRXXOJ-ZAOYDLLZSA-N	-1	3	729.955	8.070	1	30		KKEFHM
C=CCO[N-]C(=O)[C@]12CC[C@@H](C(=C)C)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2	ZINC000653790918	562912660	/nfs/dbraw/zinc/91/26/60/562912660.db2.gz	FFXFKQFBSDSSCZ-ODLWIBRJSA-N	-1	3	511.791	7.239	1	30		KKEFHM
C[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCc1ccc2c(c1)Cc1ccccc1-2)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000653830196	562914556	/nfs/dbraw/zinc/91/45/56/562914556.db2.gz	FLMHRETZLINTLJ-JIOSTDMQSA-N	-1	3	555.719	5.501	1	30		KKEFHM
C[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)cc1)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000653837830	562914744	/nfs/dbraw/zinc/91/47/44/562914744.db2.gz	FKSBYESEMYJJHL-ZSNHWWIQSA-N	-1	3	543.708	5.596	1	30		KKEFHM
COc1cc(CCC[C@H](CC(=O)N[O-])C(=O)N[C@@H](C(=O)N[C@@H](C)c2ccccc2)C(C)(C)C)ccc1-c1ccccc1	ZINC000653837915	562914802	/nfs/dbraw/zinc/91/48/02/562914802.db2.gz	PCGCWQHPTVXXQZ-HJASLDBZSA-N	-1	3	573.734	5.605	1	30		KKEFHM
CCCC[C@@H]1C[C@H]2C(=O)C=C([O-])CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3CCC(C)C)C#C[C@@H]2C[C@@H](Cc2ccnc(N)c2)C1	ZINC000085631489	565164444	/nfs/dbraw/zinc/16/44/44/565164444.db2.gz	BOLSDWRSSPOGJW-CRMLFLAISA-N	-1	3	662.915	8.658	1	30	biogenic,in-vitro	KKEFHM
CCCC[C@@H]1C[C@H]2C([O-])=CC(=O)CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3CCC(C)C)C#C[C@@H]2C[C@@H](Cc2ccnc(N)c2)C1	ZINC000085631489	565164449	/nfs/dbraw/zinc/16/44/49/565164449.db2.gz	BOLSDWRSSPOGJW-CRMLFLAISA-N	-1	3	662.915	8.658	1	30	biogenic,in-vitro	KKEFHM
COc1ccc2cc1OCc1cc3ccc([O-])c4c3c(c1)CC[C@@H]4C#CO[C@@H](CCCCCCCc1ccccc1)CC(=O)CC2	ZINC000103529462	565194199	/nfs/dbraw/zinc/19/41/99/565194199.db2.gz	HEMPGQMKIQZWLY-KUFVUHJUSA-N	-1	3	616.798	8.998	1	30	biogenic,in-vitro	KKEFHM
C[C@]1(O)[C@H]2CCC(=O)[C@H](C2)Cc2cccc(c2)CC/C=C2/C[C@@H](c3cccc(CO)c3)C#C[C@H]3CC(=O)Oc4cc([O-])c(cc43)C[C@H]1OC2=O	ZINC000150344648	565201501	/nfs/dbraw/zinc/20/15/01/565201501.db2.gz	NFARUQSEVJEDLF-DNWCVKNTSA-N	-1	3	674.790	5.774	1	30	biogenic,in-vitro	KKEFHM
CCCCCCCCCCCCCCCC(=O)O[C@]12C=C[C@@H]3CC(C)(C)C[C@@H]3[C@]1(C)C[C@@H]2OC(=O)c1c(C)cc([O-])cc1O	ZINC000086049136	574411688	/nfs/dbraw/zinc/41/16/88/574411688.db2.gz	SFZLJVNEGHGCDQ-IKPBXTBHSA-N	-1	3	610.876	9.727	1	30	endogenous,in-man	KKEFHM
C/C=C1/C[C@@H](c2cccc(CO)c2)C#C[C@H]2CC(=O)Oc3cc([O-])c(cc32)C[C@H]([C@]2(O)CCC[C@H]3[C@H]2CCC(=O)C32CCCC2)OC1=O	ZINC000150344629	291887006	/nfs/dbraw/zinc/88/70/06/291887006.db2.gz	IDYTUWQMLBQQHS-JWIXIHFHSA-N	-1	3	652.784	5.939	1	30	biogenic,in-vitro	KKEFHM
CC[C@H]1CC[C@@H]2[C@H]3Cc4ccc5c(c4)C[C@H](O)C(=C4C[C@@H](c6cc(O)cc(CO)c6)C#C[C@H]6CC(=O)Oc7cc([O-])c(cc76)C[C@@H](OC4=O)[C@@]1(O)[C@H]2CCC3=O)CC5	ZINC000085571597	519090268	/nfs/dbraw/zinc/09/02/68/519090268.db2.gz	OLSMMXGAMBUMPS-FPBJIZMTSA-N	-1	3	786.918	5.793	1	30	biogenic,in-vitro	KKEFHM
CC[C@H]1CC[C@@H]2[C@H]3CCC(=O)[C@H]2Cc2cccc(c2)C[C@H](O)C=C2C[C@H](c4cc(O)cc(CO)c4)C#C[C@H]4CC(=O)Oc5cc([O-])c(cc54)C[C@@H](OC2=O)[C@@]31O	ZINC000150344475	519090557	/nfs/dbraw/zinc/09/05/57/519090557.db2.gz	LRELHYSTPXXALV-ZVJDIEEGSA-N	-1	3	760.880	5.477	1	30	biogenic,in-vitro	KKEFHM
COc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCSCc2ccc(-c3ccccc3)cc2)C(=O)N[O-])cc1	ZINC000003923958	561686196	/nfs/dbraw/zinc/68/61/96/561686196.db2.gz	IQVPRIHMNPAIMY-MHZLTWQESA-N	-1	3	542.723	5.206	1	30		KKEFHM
CCCCCCCCCCCCn1nnc([C@@H](C)S(=O)(=O)[N-]c2c(C(C)C)cccc2C(C)C)n1	ZINC000014277159	561738871	/nfs/dbraw/zinc/73/88/71/561738871.db2.gz	QIRBCFWQUANVEL-HSZRJFAPSA-N	-1	3	505.773	7.344	1	30		KKEFHM
C=C(C)[C@@H](O)Cc1c([O-])cc2c(c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1CC=C(C)CCC=C(C)C)O2	ZINC000014615814	561739702	/nfs/dbraw/zinc/73/97/02/561739702.db2.gz	YMILJRPIVTZKTL-IFHDMUMPSA-N	-1	3	508.611	5.930	1	30	in-vitro	KKEFHM
CCCCN(Cc1ccccc1)C(=O)C#CCOC(=O)c1c(CC)nc(CCC)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1	ZINC000026376331	561782043	/nfs/dbraw/zinc/78/20/43/561782043.db2.gz	KRFWOHUUBDUMQO-UHFFFAOYSA-N	-1	3	643.792	6.283	1	30		KKEFHM
CCCCN(Cc1ccccc1)C(=O)C#CCOC(=O)c1c(CC)nc(CCC)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1	ZINC000026376331	561782044	/nfs/dbraw/zinc/78/20/44/561782044.db2.gz	KRFWOHUUBDUMQO-UHFFFAOYSA-N	-1	3	643.792	6.283	1	30		KKEFHM
CC(C)(C)N(CC(=O)N(CC(=O)N[O-])CC1CCCCC1)C(=O)Nc1ccc(Oc2ccccc2)cc1	ZINC000026717184	561814308	/nfs/dbraw/zinc/81/43/08/561814308.db2.gz	JRPWDHSHTBNCJW-UHFFFAOYSA-N	-1	3	510.635	5.026	1	30		KKEFHM
O=C(CN(CCc1ccc(F)cc1)C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)N[O-]	ZINC000026722460	561815384	/nfs/dbraw/zinc/81/53/84/561815384.db2.gz	GIVHLLLIKQPKOB-UHFFFAOYSA-N	-1	3	598.675	5.661	1	30		KKEFHM
O=C(CN(C(=O)CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1)N[O-]	ZINC000026722267	561815419	/nfs/dbraw/zinc/81/54/19/561815419.db2.gz	WEJATSORFYGFCY-UHFFFAOYSA-N	-1	3	690.800	8.226	1	30		KKEFHM
CCCc1nc(C(F)(F)C(F)(F)C(F)(F)F)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1	ZINC000028001844	561894825	/nfs/dbraw/zinc/89/48/25/561894825.db2.gz	YEGPUMZMQWTWRT-UHFFFAOYSA-N	-1	3	542.459	5.513	1	30		KKEFHM
CCCc1nc(C(F)(F)C(F)(F)C(F)(F)F)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1	ZINC000028001844	561894827	/nfs/dbraw/zinc/89/48/27/561894827.db2.gz	YEGPUMZMQWTWRT-UHFFFAOYSA-N	-1	3	542.459	5.513	1	30		KKEFHM
CC[C@@H](c1ccccc1)[C@H](c1ccc(O)cc1)c1ccc(OCCN(C)CCOCCO/N=C/c2ccc([O-])c(C(N)=O)c2)cc1	ZINC000028225580	561908014	/nfs/dbraw/zinc/90/80/14/561908014.db2.gz	YFIFXXYJJRIEKS-PHKYHQSDSA-N	-1	3	625.766	5.900	1	30		KKEFHM
CC(C)=CCc1c2c(c([O-])c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(CC=C(C)C)C5=O)C3=O)C=C[C@](C)(CCC(C)C)O2	ZINC000028525885	561931797	/nfs/dbraw/zinc/93/17/97/561931797.db2.gz	JBRMVLBIZUTECR-WIPDWJEDSA-N	-1	3	586.769	7.864	1	30		KKEFHM
CCN(CC)C[C@@H]1CN(C(=O)Cn2c3cc(C(=O)[N-]S(=O)(=O)CC)ccc3c(C3CCCCC3)c2-c2ccc(OC)cc2)CCO1	ZINC000028949766	561980951	/nfs/dbraw/zinc/98/09/51/561980951.db2.gz	NLJWSMNDMLQASY-GDLZYMKVSA-N	-1	3	652.858	5.588	1	30		KKEFHM
COC(=O)[C@H](Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)NC(=O)CCCCCCCC(=O)N[O-]	ZINC000029124217	561997104	/nfs/dbraw/zinc/99/71/04/561997104.db2.gz	XAABXQUDOMMZLT-NDEPHWFRSA-N	-1	3	516.638	5.457	1	30		KKEFHM
N#Cc1c([N-]C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)sc2c1C[C@H](c1ccccc1)CC2	ZINC000029133867	562003653	/nfs/dbraw/zinc/00/36/53/562003653.db2.gz	GYPJFXQKHORFMY-QGZVFWFLSA-N	-1	3	576.527	5.472	1	30		KKEFHM
COc1ccc(Oc2cccc([C@@H](CC(=O)N[O-])S(=O)(=O)c3ccc(OC)c(OC4CCCC4)c3)c2)cc1	ZINC000029393111	562017955	/nfs/dbraw/zinc/01/79/55/562017955.db2.gz	OHZWWRAGTGIQOP-HHHXNRCGSA-N	-1	3	541.622	5.228	1	30		KKEFHM
CCCCCCCCOc1c(Br)cc(C[NH2+]CCCP(=O)([O-])[O-])cc1Br	ZINC000036178232	562049676	/nfs/dbraw/zinc/04/96/76/562049676.db2.gz	GCTZIVJBMHYJOP-UHFFFAOYSA-N	-1	3	515.223	5.608	1	30		KKEFHM
CCCCCCCCCCCCCCCCc1c(=O)c2c(cc(OC)c(OC)c2OC)oc1-c1ccc([O-])c(O)c1	ZINC000036222872	562051880	/nfs/dbraw/zinc/05/18/80/562051880.db2.gz	OASBFCKSVPCTMN-UHFFFAOYSA-N	-1	3	568.751	8.921	1	30		KKEFHM
CCCCCCCCCCCCCCOc1c(OC)cc2oc(-c3ccc(O)c(O)c3)cc([O-])c-2c1=O	ZINC000036241691	562052039	/nfs/dbraw/zinc/05/20/39/562052039.db2.gz	LOXZEOGUUUPXNH-UHFFFAOYSA-N	-1	3	512.643	7.665	1	30		KKEFHM
COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(=O)N[O-])C(=O)NCCc3c4ccccc4[nH]c3-c3ccccc3)c2c1	ZINC000036338671	562057138	/nfs/dbraw/zinc/05/71/38/562057138.db2.gz	VBWCMILVHANAGG-YTTGMZPUSA-N	-1	3	623.754	5.475	1	30		KKEFHM
CCCCCCCCCCCCCCCC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc([O-])c2C1=O	ZINC000042764888	562087604	/nfs/dbraw/zinc/08/76/04/562087604.db2.gz	SQOGMTMLAASAAA-MUUNZHRXSA-N	-1	3	526.714	8.153	1	30		KKEFHM
CCCCCCCCCCCCCCCC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c([O-])ccc(O)c2C1=O	ZINC000042764888	562087606	/nfs/dbraw/zinc/08/76/06/562087606.db2.gz	SQOGMTMLAASAAA-MUUNZHRXSA-N	-1	3	526.714	8.153	1	30		KKEFHM
COC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)c(C)c1)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000042802857	562087884	/nfs/dbraw/zinc/08/78/84/562087884.db2.gz	NFPKLGKUZSGXBR-BHYWQNONSA-N	-1	3	587.761	5.531	1	30		KKEFHM
Cc1cccc(C(=O)N2c3cccc([O-])c3N=C3CC(C)(C)CC(=O)C3[C@@H]2c2ccc(OCc3ccccc3)cc2F)n1	ZINC000042803519	562088209	/nfs/dbraw/zinc/08/82/09/562088209.db2.gz	QIRFXOXAHTWAEQ-XIFFEERXSA-N	-1	3	577.656	7.271	1	30		KKEFHM
CCOc1cc([C@@H](Nc2ccc3c(N)[nH+]ccc3c2)C(=O)[N-]S(=O)(=O)c2cccc([O-])c2)ccc1OC(C)C	ZINC000043063146	562645247	/nfs/dbraw/zinc/64/52/47/562645247.db2.gz	NSKJHJNUMAJGCP-AREMUKBSSA-N	-1	3	550.637	5.207	1	30		KKEFHM
C=CCOc1c(C)c(C)c2c(c1C)CC[C@@](C)(COc1ccc(C=C3SC(=O)[N-]C3=O)cc1Br)O2	ZINC000043531725	562649122	/nfs/dbraw/zinc/64/91/22/562649122.db2.gz	YGPDMZXBOMZYGJ-DRTKLFJYSA-N	-1	3	558.494	6.426	1	30		KKEFHM
C=C(C)[C@@H]1CC[C@]2(C)C[C@H](O)[C@]3(C)[C@H](C[C@@H](OC(=O)c4ccc([O-])cc4)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@@H]12	ZINC000044306662	562653800	/nfs/dbraw/zinc/65/38/00/562653800.db2.gz	CPDJEYUROFSDBM-VWCLZRSYSA-N	-1	3	578.834	7.537	1	30		KKEFHM
CC1(C)CC(=O)C2C(=Nc3c([O-])cccc3N(C(=O)c3ccccn3)[C@H]2c2ccc(OCc3ccccc3)cc2F)C1	ZINC000044350832	562654393	/nfs/dbraw/zinc/65/43/93/562654393.db2.gz	NAKITUDSMWGHOD-YTTGMZPUSA-N	-1	3	563.629	6.962	1	30		KKEFHM
CCCCCCCCCCCCCCCC(=O)Oc1cc([O-])c2c(c1)O[C@H](c1ccc3c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@@H](CO)O3)[C@@H](O)C2=O	ZINC000049780481	562681757	/nfs/dbraw/zinc/68/17/57/562681757.db2.gz	WPMFGQMFMQCEOY-YLLCFIMHSA-N	-1	3	720.856	8.044	1	30		KKEFHM
Cc1cccc(C)c1CN[C@]1(CCC(C)(C)C)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000049803472	562686123	/nfs/dbraw/zinc/68/61/23/562686123.db2.gz	RGLQGAGMCKRGQY-MGBGTMOVSA-N	-1	3	650.823	5.551	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@@H](C5)CC[C@H]2[C@](C)(C=CC=CC(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049863793	562689296	/nfs/dbraw/zinc/68/92/96/562689296.db2.gz	DVUZIAWNDGLJQF-ZBQZTAOUSA-N	-1	3	665.871	7.793	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@@H](C5)CC[C@H]2[C@](C)(C=CC=CC(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049863793	562689297	/nfs/dbraw/zinc/68/92/97/562689297.db2.gz	DVUZIAWNDGLJQF-ZBQZTAOUSA-N	-1	3	665.871	7.793	1	30		KKEFHM
C=C(CC[C@@H](C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)C[C@@H](OC(=O)CCC(=O)N[O-])[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C	ZINC000049898807	562692879	/nfs/dbraw/zinc/69/28/79/562692879.db2.gz	PDDGRGIDAMHZDF-DPQHJISKSA-N	-1	3	629.835	5.575	1	30		KKEFHM
CC[C@H](CC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3[O-])nc([N-]C(=O)c3ccco3)c2C#N)c1)[NH+](CC)CC	ZINC000053299148	562697589	/nfs/dbraw/zinc/69/75/89/562697589.db2.gz	BXTVJJPJKSYGAH-HSZRJFAPSA-N	-1	3	569.637	6.426	1	30		KKEFHM
CO[N-]C(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](OC(C)=O)CC[C@@]34C)[C@@H]2C1	ZINC000064527790	562707150	/nfs/dbraw/zinc/70/71/50/562707150.db2.gz	SXTAMSLYNVBOOV-IREBYWSLSA-N	-1	3	541.773	6.576	1	30		KKEFHM
C=C(CCc1cc([O-])c2c(c1)oc(-c1ccccc1)cc2=O)Cc1c(Br)cccc1C(=O)CC	ZINC000066066373	562709323	/nfs/dbraw/zinc/70/93/23/562709323.db2.gz	UEBKNRMRSZAROV-UHFFFAOYSA-N	-1	3	517.419	7.252	1	30		KKEFHM
C=C(CCc1cc2oc(-c3ccccc3)cc([O-])c-2c(=O)c1)Cc1c(Br)cccc1C(=O)CC	ZINC000066066373	562709324	/nfs/dbraw/zinc/70/93/24/562709324.db2.gz	UEBKNRMRSZAROV-UHFFFAOYSA-N	-1	3	517.419	7.252	1	30		KKEFHM
O=C([O-])Cc1ccc([C@@H](CCC(F)(F)F)N2CCC(C(F)(F)F)CC2)c(-c2ccc(C(F)(F)F)cc2)c1	ZINC000073199756	562736077	/nfs/dbraw/zinc/73/60/77/562736077.db2.gz	ZWKSBMYSXRJENI-OAQYLSRUSA-N	-1	3	541.454	7.657	1	30		KKEFHM
C/C(=N\NS(=O)(=O)c1ccc(C)cc1)[C@@H](CN1CCCCC1)[C@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O	ZINC000073298285	562737768	/nfs/dbraw/zinc/73/77/68/562737768.db2.gz	ROMVJTUNRSGIAY-MFMZARNXSA-N	-1	3	573.715	5.395	1	30		KKEFHM
CC(C)CN(c1ccc([C@@]([O-])(C#Cc2ccccc2)C(F)(F)F)cc1)S(=O)(=O)c1cccc(C#N)c1	ZINC000084687787	562748996	/nfs/dbraw/zinc/74/89/96/562748996.db2.gz	UPBQKZKPZNVPRI-SANMLTNESA-N	-1	3	512.553	5.211	1	30		KKEFHM
CCOc1ccc(C#C[C@]([O-])(c2ccc(N(CC(C)C)S(=O)(=O)c3ccccc3)cc2)C(F)(F)F)cc1	ZINC000084689289	562749314	/nfs/dbraw/zinc/74/93/14/562749314.db2.gz	GUGYXTSGMDPJSE-MHZLTWQESA-N	-1	3	531.596	5.738	1	30		KKEFHM
CC(C)CN(c1ccc([C@]([O-])(C#Cc2ccc(C(F)(F)F)cc2)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1	ZINC000084690738	562749735	/nfs/dbraw/zinc/74/97/35/562749735.db2.gz	FAEPYFWSINNSSR-RUZDIDTESA-N	-1	3	555.540	6.358	1	30		KKEFHM
N#Cc1c(Nc2ccc(O)cc2)nc(SCC(=O)Nn2c(=O)c3ccccc3nc2COc2ccc(Cl)cc2Cl)nc1-c1ccc([O-])cc1	ZINC000084709458	562750303	/nfs/dbraw/zinc/75/03/03/562750303.db2.gz	VKDVBSKVSAQCTK-UHFFFAOYSA-N	-1	3	712.575	6.628	1	30		KKEFHM
CC(C)CN(c1ccc([C@@]([O-])(C#Cc2ccc(S(=O)(=O)c3ccccc3)cc2)C(F)(F)F)cc1)S(=O)(=O)c1cccc(C#N)c1	ZINC000084709668	562750371	/nfs/dbraw/zinc/75/03/71/562750371.db2.gz	WFJUHKZIXXAQEK-YTTGMZPUSA-N	-1	3	652.716	6.044	1	30		KKEFHM
N#Cc1c(Nc2ccccc2)nc(SCC(=O)Nn2c(COc3ccc(Cl)cc3Cl)nc3ccccc3c2=O)nc1-c1ccc([O-])cc1	ZINC000084713466	562750913	/nfs/dbraw/zinc/75/09/13/562750913.db2.gz	CRTWIWYTGRXBRV-UHFFFAOYSA-N	-1	3	696.576	6.923	1	30		KKEFHM
C=C(C)[C@@H]1CC[C@]2(C)C[C@H](OC(=O)c3ccc([O-])cc3)[C@]3(C)[C@H](C[C@@H](OC(=O)c4ccc(O)c(OC)c4)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@@H]12	ZINC000095541353	562756038	/nfs/dbraw/zinc/75/60/38/562756038.db2.gz	BRUCUXTUEIVGBU-RWUMXVMBSA-N	-1	3	728.967	9.116	1	30		KKEFHM
Cc1cc(CC2(NC(=O)N=S(=O)([O-])c3ccc4ccccc4c3)CC2)ccc1N1Cc2c(c(OCC(F)(F)F)c3cccnc3c2OCC(F)(F)F)C1=O	ZINC000095547818	562758887	/nfs/dbraw/zinc/75/88/87/562758887.db2.gz	IISIFOJBGUAWEZ-UHFFFAOYSA-N	-1	3	772.724	7.707	1	30		KKEFHM
Cc1cc(CC2(NC(=O)[N-]S(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1N1Cc2c(c(OCC(F)(F)F)c3cccnc3c2OCC(F)(F)F)C1=O	ZINC000095547818	562758888	/nfs/dbraw/zinc/75/88/88/562758888.db2.gz	IISIFOJBGUAWEZ-UHFFFAOYSA-N	-1	3	772.724	7.707	1	30		KKEFHM
Cc1cc(CC2(NC([O-])=NS(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1N1Cc2c(c(OCC(F)(F)F)c3cccnc3c2OCC(F)(F)F)C1=O	ZINC000095547818	562758889	/nfs/dbraw/zinc/75/88/89/562758889.db2.gz	IISIFOJBGUAWEZ-UHFFFAOYSA-N	-1	3	772.724	7.707	1	30		KKEFHM
C[C@H](C(=O)[O-])c1ccc([C@@H](c2ccc(F)cc2)N2CCC(C(F)(F)F)CC2)c(-c2ccc(C(F)(F)F)cc2)c1	ZINC000095558701	562762510	/nfs/dbraw/zinc/76/25/10/562762510.db2.gz	DAXUHCFVRMWEHX-MRDQGFSESA-N	-1	3	553.518	8.063	1	30		KKEFHM
N#Cc1cc(S(=O)(=O)[N-]c2ncns2)ccc1Oc1ccc(I)cc1-c1cccc(CN2CCC2)c1	ZINC000095580831	562771981	/nfs/dbraw/zinc/77/19/81/562771981.db2.gz	KOJJTAQTXUALOC-UHFFFAOYSA-N	-1	3	629.505	5.480	1	30		KKEFHM
CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\[O-])C[C@@H]12)c1cccc2ccccc21	ZINC000096935435	562804099	/nfs/dbraw/zinc/80/40/99/562804099.db2.gz	AZTJNSCICDFAFA-UNBKHKIUSA-N	-1	3	663.821	8.565	1	30		KKEFHM
CC(C)=CCC[C@]1(C)C=Cc2c([O-])c3c(c(CC=C(C)C)c2C1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(N)=O)C4=O)C3=O	ZINC000103303180	562825016	/nfs/dbraw/zinc/82/50/16/562825016.db2.gz	WNQJCSUJMQRMEE-KWXZSCLYSA-N	-1	3	625.806	7.051	1	30		KKEFHM
CN(CCCCCCC(=O)N[O-])C(=O)c1ccc(C(O)(c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)cc1	ZINC000118362968	562830232	/nfs/dbraw/zinc/83/02/32/562830232.db2.gz	FUZRYYGVCHLUJX-UHFFFAOYSA-N	-1	3	532.534	5.055	1	30		KKEFHM
Cc1cc(Cl)cnc1N[C@H](c1ccc2cccnc2c1[O-])c1c(F)c(F)c(OCC(F)(F)F)c(F)c1F	ZINC000149365276	562842641	/nfs/dbraw/zinc/84/26/41/562842641.db2.gz	DJRVQLYQYXYHOA-HXUWFJFHSA-N	-1	3	545.842	6.996	1	30		KKEFHM
O=c1c2cc(Br)ccc2nc(Cc2ccccc2Nc2c(Cl)cccc2Cl)n1-c1ccc(/N=C/c2ccccc2[O-])cc1	ZINC000150588606	562846005	/nfs/dbraw/zinc/84/60/05/562846005.db2.gz	YEYFYSHCQVRACB-CHSHITCJSA-N	-1	3	670.394	9.246	1	30		KKEFHM
COc1cc(-c2cc(NC(=O)Nc3ccc(OCCN4CCCCC4)cc3)cc(OC)c2OC)ccc1/C(C)=N/[O-]	ZINC000169323997	562857265	/nfs/dbraw/zinc/85/72/65/562857265.db2.gz	CIOXXYOXGNMAOW-KEIPNQJHSA-N	-1	3	562.667	6.086	1	30		KKEFHM
CC(C)(C)[C@H](NC(=O)[C@@H](CCCc1ccc(-c2ccccc2)cc1)CC(=O)N[O-])C(=O)NC(c1ccccc1)c1ccccc1	ZINC000213422668	562877228	/nfs/dbraw/zinc/87/72/28/562877228.db2.gz	YWZDVYPIFZUSBG-HJIQQCSTSA-N	-1	3	605.779	6.625	1	30		KKEFHM
C[C@H](NC(=O)[C@H](NC(=O)[C@@H](CCc1ccc(-c2ccc(F)cc2)cc1)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000213423094	562877233	/nfs/dbraw/zinc/87/72/33/562877233.db2.gz	ZFQPFNFJKNLTIW-VFXRXZKFSA-N	-1	3	547.671	5.345	1	30		KKEFHM
CC(C)c1ccc2c(c1)/C(=N\[O-])C[C@H]1[C@](C)(C(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3ccc(Cl)cc3)CCC[C@]21C	ZINC000299825047	562883450	/nfs/dbraw/zinc/88/34/50/562883450.db2.gz	VGTNCDDFIUHYPG-OZVICKBXSA-N	-1	3	586.176	7.476	1	30		KKEFHM
CC(C)c1ccc2c(c1)/C(=N\[O-])C[C@H]1[C@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccccc3F)CCC[C@]21C	ZINC000299827951	562884310	/nfs/dbraw/zinc/88/43/10/562884310.db2.gz	PFNLLSPSVJIFOG-LUPGWAHUSA-N	-1	3	569.721	6.961	1	30		KKEFHM
N/C(=N/[O-])c1ccc(C2=C(S(=O)(=O)c3ccc(F)cc3)CC(c3ccccc3)(c3ccccc3)O2)cc1	ZINC000299835237	562886824	/nfs/dbraw/zinc/88/68/24/562886824.db2.gz	LBMBHOIQTSWWCR-UHFFFAOYSA-N	-1	3	514.578	5.427	1	30		KKEFHM
C[C@@]1(c2ccc(-c3ccccc3C#N)cc2)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\[O-])cc2)O1	ZINC000299838281	562887783	/nfs/dbraw/zinc/88/77/83/562887783.db2.gz	UJROSGGUBLVXJZ-HKBQPEDESA-N	-1	3	553.615	5.937	1	30		KKEFHM
COc1ccc(-c2csc(/N=C/c3cc(/C=C/C(=O)c4ccc(C)cc4)cc(C(C)(C)C)c3[O-])n2)cc1OC	ZINC000473090565	562897543	/nfs/dbraw/zinc/89/75/43/562897543.db2.gz	WDYWCBXTJHPOLI-RYYJRZFTSA-N	-1	3	540.685	7.786	1	30		KKEFHM
CN1c2ccc(NCc3ccc(-c4noc(CCCCCCC(=O)N[O-])n4)cc3)cc2C(=O)N2CCc3c4cc(O)ccc4[nH]c3[C@H]12	ZINC000473121164	562899374	/nfs/dbraw/zinc/89/93/74/562899374.db2.gz	FTVNKVXRXIRGTC-UUWRZZSWSA-N	-1	3	635.725	5.681	1	30		KKEFHM
CCN(CC)CC#Cc1ccnc2ccc(-c3cnc(OC)c([N-]S(=O)(=O)c4ccc(F)cc4F)c3)cc12	ZINC000653697105	562907102	/nfs/dbraw/zinc/90/71/02/562907102.db2.gz	OBOTVRVJQHCNJH-UHFFFAOYSA-N	-1	3	536.604	5.078	1	30		KKEFHM
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)N[O-])CC[C@]23C)C1(C)C	ZINC000653755991	562911001	/nfs/dbraw/zinc/91/10/01/562911001.db2.gz	RZJFLGUYQJCKGZ-OTMOLZNZSA-N	-1	3	513.763	7.081	1	30		KKEFHM
C[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)c(Cl)c1)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000653827684	562914467	/nfs/dbraw/zinc/91/44/67/562914467.db2.gz	LOAUOKWVGGODSI-WCUBMSFQSA-N	-1	3	578.153	6.250	1	30		KKEFHM
C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)c(C(F)(F)F)c1)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000653835857	562914731	/nfs/dbraw/zinc/91/47/31/562914731.db2.gz	MDHGHVZOCBQJRL-ODTCIBSJSA-N	-1	3	611.705	6.615	1	30		KKEFHM
COc1cc([O-])c2c(c1C(=O)/C=C/c1ccc(O)cc1)O[C@H](c1ccc(O)cc1)[C@H]1[C@H]2C[C@H](CCc2ccc(O)cc2)O[C@@H]1c1ccc(O)cc1	ZINC000049888990	565114488	/nfs/dbraw/zinc/11/44/88/565114488.db2.gz	UJEBJUQQVRWYAG-VACWHKBWSA-N	-1	3	686.757	8.116	1	30	biogenic,in-vitro	KKEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@]1(C)O[C@@H]1CC1(c2cc(N)nc(-c4ccnc(N)c4)c2)CCCC1)C3	ZINC000085594017	565150511	/nfs/dbraw/zinc/15/05/11/565150511.db2.gz	FCSVOUPYRXFWDB-TVMHKENRSA-N	-1	3	626.710	5.113	1	30	biogenic,in-vitro	KKEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@]2(CCCC[C@H]31)O[C@@H]2Cc1cccc([C@@H](N)NCCC(C)C)c1	ZINC000085594050	565150719	/nfs/dbraw/zinc/15/07/19/565150719.db2.gz	HTBZYRVCNNLMGS-CMNKCZHESA-N	-1	3	604.744	5.521	1	30	biogenic,in-vitro	KKEFHM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)OC(C)(C)[C@@H]1OC(=O)[C@]2(CCCC[C@H]31)O[C@@H]2Cc1cccc([C@@H](N)NCCC(C)C)c1	ZINC000085594050	565150726	/nfs/dbraw/zinc/15/07/26/565150726.db2.gz	HTBZYRVCNNLMGS-CMNKCZHESA-N	-1	3	604.744	5.521	1	30	biogenic,in-vitro	KKEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCCC[C@@H]31)O[C@@H]2CCc1cc(N)nc2c1CCCc1c(N)nccc1-2	ZINC000085593980	565150941	/nfs/dbraw/zinc/15/09/41/565150941.db2.gz	ZEBPXUFBXNQBRC-GCGZPEEJSA-N	-1	3	652.748	5.428	1	30	biogenic,in-vitro	KKEFHM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCCC[C@@H]31)O[C@@H]2CCc1cc(N)nc2c1CCCc1c(N)nccc1-2	ZINC000085593980	565150949	/nfs/dbraw/zinc/15/09/49/565150949.db2.gz	ZEBPXUFBXNQBRC-GCGZPEEJSA-N	-1	3	652.748	5.428	1	30	biogenic,in-vitro	KKEFHM
CCCCC[C@H]1[C@@H](CCCC)C[C@H](Cc2ccnc(N)c2)C[C@@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC([O-])=C(O)C(=O)[C@H]21	ZINC000085631496	565164382	/nfs/dbraw/zinc/16/43/82/565164382.db2.gz	XCEZAHAGGOSARB-OHUPOYOLSA-N	-1	3	678.914	7.847	1	30	biogenic,in-vitro	KKEFHM
CCCCC[C@H]1[C@@H](CCCC)C[C@H](Cc2ccnc(N)c2)C[C@@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)C(O)=C([O-])[C@H]21	ZINC000085631496	565164387	/nfs/dbraw/zinc/16/43/87/565164387.db2.gz	XCEZAHAGGOSARB-OHUPOYOLSA-N	-1	3	678.914	7.847	1	30	biogenic,in-vitro	KKEFHM
CCCCCCCCCCCCCCCC(=O)O[C@@]12C=C[C@H]3CC(C)(C)C[C@@H]3[C@@]1(C)C[C@@H]2OC(=O)c1c(C)cc([O-])cc1O	ZINC000100782689	571838132	/nfs/dbraw/zinc/83/81/32/571838132.db2.gz	SFZLJVNEGHGCDQ-MRWUQZEJSA-N	-1	3	610.876	9.727	1	30	endogenous,in-man	KKEFHM
CCCCCCCCCCCCCCCC(=O)O[C@]12C=C[C@@H]3CC(C)(C)C[C@@H]3[C@@]1(C)C[C@@H]2OC(=O)c1c(C)cc([O-])cc1O	ZINC000100782688	571838234	/nfs/dbraw/zinc/83/82/34/571838234.db2.gz	SFZLJVNEGHGCDQ-WRLSAIPDSA-N	-1	3	610.876	9.727	1	30	endogenous,in-man	KKEFHM
C/C=C1/C[C@@H](c2cc(CO)c(CCCCC)c(NC[C@H](C)O)c2)C#C[C@H]2CC(=O)Oc3cc([O-])c(cc32)C[C@H]([C@@](C)(O)C2CCC(=O)CC2)OC1=O	ZINC000085571713	291886895	/nfs/dbraw/zinc/88/68/95/291886895.db2.gz	DPJSOIUVMXEFNW-QPRLTFRKSA-N	-1	3	715.884	5.904	1	30	biogenic,in-vitro	KKEFHM
C=C(C)[C@H](CC=C(C)C)C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(Cc3ccc(O)c(O)c3)=C1[O-])C2=O	ZINC000005724402	561697791	/nfs/dbraw/zinc/69/77/91/561697791.db2.gz	VJXOJGNMGGVHLA-IWCJZZINSA-N	-1	3	588.829	9.274	1	30		KKEFHM
C=C(C)[C@H](CC=C(C)C)C[C@]12C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C1=O)C([O-])=C(Cc1ccc(O)c(O)c1)C2=O	ZINC000005724402	561697792	/nfs/dbraw/zinc/69/77/92/561697792.db2.gz	VJXOJGNMGGVHLA-IWCJZZINSA-N	-1	3	588.829	9.274	1	30		KKEFHM
CC(C)=CCC1=C([O-])[C@@]2(C(=O)c3ccccc3)C(=O)[C@](CC=C(C)C)(C[C@H](CC=C(C)C)C2(C)C)C1=O	ZINC000014660235	561739836	/nfs/dbraw/zinc/73/98/36/561739836.db2.gz	SYKFHCWMZKYPEA-RFQWPUQQSA-N	-1	3	502.695	7.921	1	30		KKEFHM
CC(C)=CCC1=C([O-])[C@@]2(CC=C(C)C)C[C@H](CC=C(C)C)C(C)(C)[C@@](C(=O)c3ccccc3)(C1=O)C2=O	ZINC000014660235	561739837	/nfs/dbraw/zinc/73/98/37/561739837.db2.gz	SYKFHCWMZKYPEA-RFQWPUQQSA-N	-1	3	502.695	7.921	1	30		KKEFHM
Cc1ccc(S(=O)(=O)NN=C(CCN2CCCC2)C[C@@H](c2ccccc2)c2c([O-])c3ccccc3oc2=O)cc1	ZINC000026495527	561794218	/nfs/dbraw/zinc/79/42/18/561794218.db2.gz	IBWUZPIRGVUGCQ-LLQFBVCYSA-N	-1	3	559.688	5.149	1	30		KKEFHM
CC[C@H](C)N(CC(=O)N[O-])C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1	ZINC000026716846	561814298	/nfs/dbraw/zinc/81/42/98/561814298.db2.gz	BAHYQLXNOCVJNL-QHCPKHFHSA-N	-1	3	532.641	5.078	1	30		KKEFHM
O=C(N[O-])[C@H]1CCCCOc2ccc(cc2)C[C@@H](C(=O)c2ccccc2)NC(=O)[C@@H]1CCCc1cc(Br)cc(Br)c1	ZINC000026740784	561818055	/nfs/dbraw/zinc/81/80/55/561818055.db2.gz	IGKZHEJCICMYIH-ULNSLHSMSA-N	-1	3	686.441	6.445	1	30		KKEFHM
Cc1ccc(CCC[C@H]2C(=O)N[C@H](C(=O)c3ccccc3)Cc3ccc(cc3)OCCCC[C@@H]2C(=O)N[O-])cc1	ZINC000026742808	561818370	/nfs/dbraw/zinc/81/83/70/561818370.db2.gz	GIGQELYOVAVUIF-NGDRWEMDSA-N	-1	3	542.676	5.229	1	30		KKEFHM
CCOC(=O)N([O-])CCC#Cc1ccc(OCCCCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1	ZINC000028122326	561904562	/nfs/dbraw/zinc/90/45/62/561904562.db2.gz	LDAIZSJPULESPS-UHFFFAOYSA-N	-1	3	591.699	6.120	1	30	in-vivo	KKEFHM
CC[C@@H](C)C(=O)[C@]12C(=O)[C@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C(=O)C(CC=C(C)C)=C2[O-]	ZINC000028709484	561950613	/nfs/dbraw/zinc/95/06/13/561950613.db2.gz	DHPDSOCOUJHGHE-NHOFJDTKSA-N	-1	3	550.824	9.380	1	30		KKEFHM
CC[C@@H](C)C(=O)[C@@]12C(=O)C(CC=C(C)C)=C([O-])[C@@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O	ZINC000028709484	561950615	/nfs/dbraw/zinc/95/06/15/561950615.db2.gz	DHPDSOCOUJHGHE-NHOFJDTKSA-N	-1	3	550.824	9.380	1	30		KKEFHM
CCCCCCCCCCCCCCn1nnc(CS(=O)(=O)[N-]c2c(C(C)C)cccc2C(C)C)n1	ZINC000036349875	562057927	/nfs/dbraw/zinc/05/79/27/562057927.db2.gz	YWOBUHFECKJZDY-UHFFFAOYSA-N	-1	3	519.800	7.563	1	30		KKEFHM
O=C(CCCCCCC(=O)N(Cc1ccccc1)[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCc1ccccc1)N[O-]	ZINC000042805733	562089278	/nfs/dbraw/zinc/08/92/78/562089278.db2.gz	LDVBJYSPVMJGPJ-PGUFJCEWSA-N	-1	3	605.779	6.498	1	30		KKEFHM
CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)CC[C@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C([O-])[C@@]1(C(=O)C(C)C)C2=O	ZINC000103539012	560052130	/nfs/dbraw/zinc/05/21/30/560052130.db2.gz	RGJQZECPSYEPSD-OQXPXOCRSA-N	-1	3	550.824	9.380	1	30	biogenic,in-vitro	KKEFHM
CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)CC[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C(=O)C(CC=C(C)C)=C2[O-]	ZINC000103539012	560052131	/nfs/dbraw/zinc/05/21/31/560052131.db2.gz	RGJQZECPSYEPSD-OQXPXOCRSA-N	-1	3	550.824	9.380	1	30	biogenic,in-vitro	KKEFHM
CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@]2(C/C=C(\C)CO)C(=O)C(CC=C(C)C)=C([O-])[C@@]1(C(=O)C(C)C)C2=O	ZINC000100042399	560053646	/nfs/dbraw/zinc/05/36/46/560053646.db2.gz	RVQVTDFIZLGSPU-VIODULMBSA-N	-1	3	552.796	7.962	1	30	biogenic,in-vitro	KKEFHM
CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@@]2(C/C=C(\C)CO)C(=O)[C@]1(C(=O)C(C)C)C(=O)C(CC=C(C)C)=C2[O-]	ZINC000100042399	560053647	/nfs/dbraw/zinc/05/36/47/560053647.db2.gz	RVQVTDFIZLGSPU-VIODULMBSA-N	-1	3	552.796	7.962	1	30	biogenic,in-vitro	KKEFHM
CC(C)=CCC[C@@]1(C)[C@H](C/C=C(\C)CO)C[C@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C([O-])[C@@]1(C(=O)C(C)C)C2=O	ZINC000100042387	560053662	/nfs/dbraw/zinc/05/36/62/560053662.db2.gz	WAWNJTSHFZXFBV-PMHPTOEESA-N	-1	3	552.796	7.962	1	30	biogenic,in-vitro	KKEFHM
CC(C)=CCC[C@@]1(C)[C@H](C/C=C(\C)CO)C[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C(=O)C(CC=C(C)C)=C2[O-]	ZINC000100042387	560053664	/nfs/dbraw/zinc/05/36/64/560053664.db2.gz	WAWNJTSHFZXFBV-PMHPTOEESA-N	-1	3	552.796	7.962	1	30	biogenic,in-vitro	KKEFHM
COc1cc([O-])c2c(c1C(=O)/C=C\c1ccc(O)cc1)O[C@@H](c1ccc(O)cc1)C[C@H]2C[C@@H](O)CCc1ccc(O)cc1	ZINC000095909998	560059265	/nfs/dbraw/zinc/05/92/65/560059265.db2.gz	WVMXLWIYDSSCRW-MWCGTHQVSA-N	-1	3	582.649	6.405	1	30	biogenic,in-vitro	KKEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCCC[C@@H]31)O[C@@H]2CC1(c2ccnc(N)c2)CCCC1	ZINC000085594048	560064821	/nfs/dbraw/zinc/06/48/21/560064821.db2.gz	HUYGDQFSCQWBDU-LCVIWTTQSA-N	-1	3	574.674	5.564	1	30	biogenic,in-vitro	KKEFHM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCCC[C@@H]31)O[C@@H]2CC1(c2ccnc(N)c2)CCCC1	ZINC000085594048	560064822	/nfs/dbraw/zinc/06/48/22/560064822.db2.gz	HUYGDQFSCQWBDU-LCVIWTTQSA-N	-1	3	574.674	5.564	1	30	biogenic,in-vitro	KKEFHM
CCCCCCCCCCCCCCCCCCCCCCOc1cc([O-])c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O	ZINC000085936996	560066234	/nfs/dbraw/zinc/06/62/34/560066234.db2.gz	PASFAROVHZSTNQ-UHFFFAOYSA-N	-1	3	578.834	10.382	1	30	biogenic,in-vitro	KKEFHM
CCCCCCCCCCCCCCCCCCCCCCOc1cc([O-])c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O	ZINC000085936996	560066236	/nfs/dbraw/zinc/06/62/36/560066236.db2.gz	PASFAROVHZSTNQ-UHFFFAOYSA-N	-1	3	578.834	10.382	1	30	biogenic,in-vitro	KKEFHM
Cc1c([O-])c2c(c3c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@H]3c1ccccc1)O[C@H](c1ccccc1)CC2=O	ZINC000014859625	560227303	/nfs/dbraw/zinc/22/73/03/560227303.db2.gz	XFYRJHANHCHCTK-VXKWHMMOSA-N	-1	3	522.597	6.390	1	30	in-vitro	KKEFHM
CSc1ncc([C@H]2C(C(=O)Cc3cccnc3)=C(C)NC(C)=C2C([O-])=Cc2ccccn2)n1Cc1ccccc1	ZINC000043078478	562645729	/nfs/dbraw/zinc/64/57/29/562645729.db2.gz	FXOMOSJNUXSTSU-HKBQPEDESA-N	-1	3	549.700	5.302	1	30		KKEFHM
CCCCCCCCCCCCCCCCCCSC(=O)CS(=O)(=O)[N-]c1c(C(C)C)cccc1C(C)C	ZINC000043307895	562647616	/nfs/dbraw/zinc/64/76/16/562647616.db2.gz	IGNBUHFDTGWPPZ-UHFFFAOYSA-N	-1	3	567.946	10.196	1	30		KKEFHM
O=C(Nc1ccc(CCCCc2nnn[n-]2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000043443117	562648498	/nfs/dbraw/zinc/64/84/98/562648498.db2.gz	NNAHCNPNLZJICV-UHFFFAOYSA-N	-1	3	613.325	6.078	1	30		KKEFHM
O=C(Nc1ccc(CCCCc2nn[n-]n2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000043443117	562648499	/nfs/dbraw/zinc/64/84/99/562648499.db2.gz	NNAHCNPNLZJICV-UHFFFAOYSA-N	-1	3	613.325	6.078	1	30		KKEFHM
CCC[C@H](C(=O)N[O-])[C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(-c3ccc(F)cc3)c2)C1=O	ZINC000043524044	562648901	/nfs/dbraw/zinc/64/89/01/562648901.db2.gz	KQIJGAJKYSAURK-VJGNERBWSA-N	-1	3	525.665	5.074	1	30		KKEFHM
C=CCNc1c([O-])cc2nc3oc2c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C\3C	ZINC000044031828	562651635	/nfs/dbraw/zinc/65/16/35/562651635.db2.gz	AMSRVKNAPILVBD-WVARBVEKSA-N	-1	3	569.699	5.110	1	30		KKEFHM
CC1(C)CC(=O)C2C(=Nc3c([O-])cccc3N(C(=O)c3ccncn3)[C@@H]2c2ccc(OCc3ccccc3)cc2F)C1	ZINC000044280785	562652946	/nfs/dbraw/zinc/65/29/46/562652946.db2.gz	YNMWDXQMMUROMD-WJOKGBTCSA-N	-1	3	564.617	6.357	1	30		KKEFHM
O=[N+]([O-])c1ccc([N-]c2nc(N=NCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)nc(Nc3ccccc3)n2)cc1	ZINC000049746018	562674222	/nfs/dbraw/zinc/67/42/22/562674222.db2.gz	KCAOIIOSKZERDP-JVWAILMASA-N	-1	3	537.496	5.881	1	30		KKEFHM
Cc1c(C)c2c(c(C)c1OCCCC#N)CC[C@@](C)(COc1ccc(C=C3SC(=O)[N-]C3=O)cc1Br)O2	ZINC000049767026	562677325	/nfs/dbraw/zinc/67/73/25/562677325.db2.gz	NNHISQOAXRMKEQ-YPAMIWDWSA-N	-1	3	585.520	6.544	1	30		KKEFHM
O=C(N(Cc1ccccc1)c1ccc(Cc2nnn[n-]2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000049772061	562678554	/nfs/dbraw/zinc/67/85/54/562678554.db2.gz	RTOMALQUCBMAIM-UHFFFAOYSA-N	-1	3	711.376	7.333	1	30		KKEFHM
O=C(N(Cc1ccccc1)c1ccc(Cc2nn[n-]n2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000049772061	562678555	/nfs/dbraw/zinc/67/85/55/562678555.db2.gz	RTOMALQUCBMAIM-UHFFFAOYSA-N	-1	3	711.376	7.333	1	30		KKEFHM
C=C1[C@H](C/C=C(\C)[C@@H]2Cc3c(O)ccc([O-])c3-c3oc4ccccc4c(=O)c32)[C@@]2(C)CCCC(C)(C)[C@H]2C[C@@H]1O	ZINC000049785608	562684065	/nfs/dbraw/zinc/68/40/65/562684065.db2.gz	AHTDOSQUZMXRQZ-RJQYOSMOSA-N	-1	3	540.700	7.617	1	30		KKEFHM
CC(C)(C)OC(=O)N[C@H](Cc1cc(C(F)(F)F)ccc1C(F)(F)F)C(=O)[N-][C@@H]1CN(CC2CC2)c2ccccc2N(CC(F)(F)F)C1=O	ZINC000049792042	562684294	/nfs/dbraw/zinc/68/42/94/562684294.db2.gz	LLWVLAJGZICRCK-FGZHOGPDSA-N	-1	3	696.611	6.470	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@@H](C5)CC[C@H]2[C@](C)(C=CC=C(C)C(=O)NCCC(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O	ZINC000049823313	562687177	/nfs/dbraw/zinc/68/71/77/562687177.db2.gz	HUSUTWRZGZUUEP-DPHMPMQCSA-N	-1	3	750.977	7.690	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@@H](C5)CC[C@H]2[C@](C)(C=CC=C(C)C(=O)NCCC(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O	ZINC000049823313	562687178	/nfs/dbraw/zinc/68/71/78/562687178.db2.gz	HUSUTWRZGZUUEP-DPHMPMQCSA-N	-1	3	750.977	7.690	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@@H](C5)CC[C@H]2[C@](C)(C=CC=CC(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O	ZINC000049863790	562689251	/nfs/dbraw/zinc/68/92/51/562689251.db2.gz	DVUZIAWNDGLJQF-ZLXKVZQASA-N	-1	3	665.871	7.793	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@@H](C5)CC[C@H]2[C@](C)(C=CC=CC(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O	ZINC000049863790	562689252	/nfs/dbraw/zinc/68/92/52/562689252.db2.gz	DVUZIAWNDGLJQF-ZLXKVZQASA-N	-1	3	665.871	7.793	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@](C)(C=CC=C(OC)C(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O	ZINC000049863807	562689260	/nfs/dbraw/zinc/68/92/60/562689260.db2.gz	XLXIHRFXQCCMQW-GCRVXOTESA-N	-1	3	695.897	7.767	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@](C)(C=CC=C(OC)C(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O	ZINC000049863807	562689261	/nfs/dbraw/zinc/68/92/61/562689261.db2.gz	XLXIHRFXQCCMQW-GCRVXOTESA-N	-1	3	695.897	7.767	1	30		KKEFHM
C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(Nc3cccc(/C(N)=N/O)c3)cc2)=C(c2ccc(/C(N)=N/[O-])cc2)O1	ZINC000064361489	562704810	/nfs/dbraw/zinc/70/48/10/562704810.db2.gz	ZLNWJUFITYBHTB-JGCGQSQUSA-N	-1	3	597.697	5.183	1	30		KKEFHM
Cc1ccc(COc2ccc(/C=C/C(=O)N[C@@H](CCCCCC(=O)N[O-])C(=O)Nc3cccc4cccnc43)cc2)cc1	ZINC000064549602	562708115	/nfs/dbraw/zinc/70/81/15/562708115.db2.gz	XAAMUBXLVPUKQS-SCMVIPGPSA-N	-1	3	580.685	5.715	1	30		KKEFHM
CN([O-])C(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@@H]3[C@]4(C)CCC(=O)NC3(C)C)[C@@H]2C1	ZINC000066112765	562712091	/nfs/dbraw/zinc/71/20/91/562712091.db2.gz	AUQXBLHDEASREV-GJIZTULQSA-N	-1	3	512.735	5.683	1	30		KKEFHM
C[S@](=O)c1ccc([C@H]2C=C(CC(=O)N[C@@H](CCCCCC(=O)N[O-])C(=O)Nc3cccc4cccnc43)c3cc(F)ccc32)cc1	ZINC000072150250	562730089	/nfs/dbraw/zinc/73/00/89/562730089.db2.gz	GIBUWOSZIMMLTO-GWADMKCQSA-N	-1	3	642.753	5.610	1	30		KKEFHM
C[S@@](=O)c1ccc([C@H]2C=C(CC(=O)N[C@@H](CCCCCC(=O)N[O-])C(=O)Nc3cccc4cccnc43)c3cc(F)ccc32)cc1	ZINC000072150249	562730095	/nfs/dbraw/zinc/73/00/95/562730095.db2.gz	GIBUWOSZIMMLTO-OOAFZQEGSA-N	-1	3	642.753	5.610	1	30		KKEFHM
[O-]c1cc(N2CCCC2)ccc1/C=N/N1C(=S)N(c2ccccc2)C(=N\c2ccccc2)/C1=N/c1ccccc1	ZINC000073353767	562738333	/nfs/dbraw/zinc/73/83/33/562738333.db2.gz	FXUKNUIKIUNZFV-RIZAKBTASA-N	-1	3	544.684	6.894	1	30		KKEFHM
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C/C=C/[C@]([O-])(C(C)(F)F)C(F)(F)F)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1O	ZINC000084635851	562746252	/nfs/dbraw/zinc/74/62/52/562746252.db2.gz	MBORAXGXLXZGNZ-CNHLKRBHSA-N	-1	3	604.741	7.580	1	30		KKEFHM
CC(C)CN(c1ccc([C@]([O-])(C#Cc2ccc(Cl)cc2)C(F)(F)F)cc1)S(=O)(=O)c1cccc(C#N)c1	ZINC000084687792	562748994	/nfs/dbraw/zinc/74/89/94/562748994.db2.gz	DFDDEXIVIDCBJU-AREMUKBSSA-N	-1	3	546.998	5.865	1	30		KKEFHM
CC(C)(C)CN(c1ccc([C@]([O-])(C#Cc2ccc(S(C)(=O)=O)cc2)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1	ZINC000084690270	562749577	/nfs/dbraw/zinc/74/95/77/562749577.db2.gz	ZATNJKHDTLHDQN-HHHXNRCGSA-N	-1	3	579.662	5.133	1	30		KKEFHM
CC(C)CN(c1ccc([C@]([O-])(C#Cc2ccc(S(=O)(=O)c3ccccc3)cc2)C(F)(F)F)cc1)S(=O)(=O)c1cccc(C#N)c1	ZINC000084709671	562750393	/nfs/dbraw/zinc/75/03/93/562750393.db2.gz	WFJUHKZIXXAQEK-JGCGQSQUSA-N	-1	3	652.716	6.044	1	30		KKEFHM
N#Cc1c(Cl)nc(SCC(=O)[N-]n2c(COc3ccc(Cl)cc3Cl)nc3ccccc3c2=O)nc1-c1ccccc1	ZINC000084710864	562750583	/nfs/dbraw/zinc/75/05/83/562750583.db2.gz	ZPBZJFDQGRQOOS-UHFFFAOYSA-N	-1	3	623.909	6.127	1	30		KKEFHM
C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Oc1cc(I)c([O-])c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2	ZINC000095537482	562754390	/nfs/dbraw/zinc/75/43/90/562754390.db2.gz	WCPKEBYJPDOASM-GGBXHWPASA-N	-1	3	756.586	5.779	1	30		KKEFHM
CCCCN(CCCC)C(=O)c1nn(-c2ccc(C(=O)[N-]S(=O)(=O)c3ccc4ccccc4c3)cc2C(=O)N2Cc3ccccc3C[C@H]2COCCN(C)C)c(C)c1Cl	ZINC000095564391	562764304	/nfs/dbraw/zinc/76/43/04/562764304.db2.gz	ODXSIKZDKOKTPJ-QNGWXLTQSA-N	-1	3	841.475	7.869	1	30		KKEFHM
O=C(NCc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1)[C@]([O-])(c1ccc(-c2ccc3cccnc3n2)cc1)C(F)(F)F	ZINC000095575495	562770340	/nfs/dbraw/zinc/77/03/40/562770340.db2.gz	IFYAGVZPYUZBML-GDLZYMKVSA-N	-1	3	599.506	7.188	1	30		KKEFHM
COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(OCCCCCCCC(=O)N[O-])cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000096286407	562796163	/nfs/dbraw/zinc/79/61/63/562796163.db2.gz	YJEHDWIPGKAQHO-SRWWWFMASA-N	-1	3	648.709	5.451	1	30		KKEFHM
CC(C)(C)OC(=O)N1CCC(CCN2CCc3c(C#N)c([N-]C(=O)c4cc(S(=O)(=O)N5CCOCC5)c(Cl)cc4Cl)sc3C2)CC1	ZINC000096913669	562800344	/nfs/dbraw/zinc/80/03/44/562800344.db2.gz	DOEBNYWKULKCSL-UHFFFAOYSA-N	-1	3	712.722	5.595	1	30		KKEFHM
Cn1cc2c(n1)nc(NCCCCCNC(=S)Nc1ccc([C@@H]3c4ccc(O)cc4OC4=CC(=O)C=CC43)c(C(=O)[O-])c1)n1nc(-c3ccco3)nc21	ZINC000096914720	562800851	/nfs/dbraw/zinc/80/08/51/562800851.db2.gz	ZSATUYYTGUYBSM-DLLPINGYSA-N	-1	3	731.795	5.407	1	30		KKEFHM
CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\[O-])C[C@@H]12)c1ccccc1F	ZINC000096932712	562803515	/nfs/dbraw/zinc/80/35/15/562803515.db2.gz	FTBARIGNSACWMH-SSXXBGJTSA-N	-1	3	631.751	7.551	1	30		KKEFHM
COc1cc(-c2cc(NC(=O)Nc3ccc(OCCN4CCCCC4)cc3C)cc(OC)c2OC)ccc1/C(C)=N/[O-]	ZINC000103228681	562818007	/nfs/dbraw/zinc/81/80/07/562818007.db2.gz	UIOHRCJWDPZMDB-FADJLKOXSA-N	-1	3	576.694	6.395	1	30		KKEFHM
Cc1cccc(-c2cc(COc3ccc([C@]4(N)CCN([C@H](CC(C)C)C(=O)N[O-])C4=O)cc3)c3ccccc3n2)c1	ZINC000137522962	562831477	/nfs/dbraw/zinc/83/14/77/562831477.db2.gz	LWOJAVSLHARKKH-LXANVCGNSA-N	-1	3	552.675	5.096	1	30		KKEFHM
CSC(C)=NOC(=O)N(C)SN(C([O-])=NC(=O)c1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)c(Br)c1	ZINC000150590081	562846100	/nfs/dbraw/zinc/84/61/00/562846100.db2.gz	QMDXCGVOPVGOKS-ORBVJSQLSA-N	-1	3	648.310	7.459	1	30		KKEFHM
CSC(C)=NOC(=O)N(C)SN(C(=O)[N-]C(=O)c1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)c(Br)c1	ZINC000150590081	562846101	/nfs/dbraw/zinc/84/61/01/562846101.db2.gz	QMDXCGVOPVGOKS-ORBVJSQLSA-N	-1	3	648.310	7.459	1	30		KKEFHM
CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+]CCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3cc(C#N)ccc3[O-])CC2)ccc1[O-]	ZINC000169321644	562856728	/nfs/dbraw/zinc/85/67/28/562856728.db2.gz	DCLLCRKTECSOJS-BHVANESWSA-N	-1	3	707.894	6.075	1	30		KKEFHM
CC(C)(C)OC(=O)N=C([N-]C(=O)OC(C)(C)C)NCCCC(=O)NCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1	ZINC000299827405	562884152	/nfs/dbraw/zinc/88/41/52/562884152.db2.gz	GMNZKAGDHITNRZ-UHFFFAOYSA-N	-1	3	622.811	5.435	1	30		KKEFHM
C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccccc2C(F)(F)F)=C(c2ccc(/C(N)=N\[O-])cc2)O1	ZINC000299837423	562887468	/nfs/dbraw/zinc/88/74/68/562887468.db2.gz	QUFDJBJWJGUWOV-RUZDIDTESA-N	-1	3	516.541	5.364	1	30		KKEFHM
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C=CC5=CC(=O)C(OCc6cn(CC(=O)c7cccc([O-])c7)nn6)=C[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2	ZINC000473089903	562897447	/nfs/dbraw/zinc/89/74/47/562897447.db2.gz	MQTZGQWCLLWYTD-XSBCUMRRSA-N	-1	3	639.793	6.199	1	30		KKEFHM
Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C3C4=C(CC(C)(C)CC4=O)N(c4ccc(S(N)(=O)=O)cc4)C4=C3C(=O)CC(C)(C)C4)c2)c(C)c1	ZINC000473114371	562898914	/nfs/dbraw/zinc/89/89/14/562898914.db2.gz	NFJDQICJUMRGKK-UHFFFAOYSA-N	-1	3	701.911	6.950	1	30		KKEFHM
Cn1cc2c([n-]1)nc(=NC(=Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1)n1nc(-c3ccco3)nc21	ZINC000473124666	562899626	/nfs/dbraw/zinc/89/96/26/562899626.db2.gz	NQOPEIAFOGFMCM-UHFFFAOYSA-N	-1	3	518.368	5.211	1	30		KKEFHM
CN1c2ccc(NCc3ccc(NC(=O)CCCCCCC(=O)N[O-])cc3)cc2C(=O)N2CCc3c4cc(O)ccc4[nH]c3[C@H]12	ZINC000473127566	562899897	/nfs/dbraw/zinc/89/98/97/562899897.db2.gz	WWLROYXCFWQTSZ-MGBGTMOVSA-N	-1	3	610.715	5.417	1	30		KKEFHM
CCCCCCCOc1cc([O-])c2c(c1)O[C@H](c1ccc3c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@H](CO)O3)[C@@H](O)C2=O	ZINC000653703972	562907621	/nfs/dbraw/zinc/90/76/21/562907621.db2.gz	VIDIHKFKIQDZIJ-AIGPYBJDSA-N	-1	3	580.630	5.006	1	30		KKEFHM
C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)cc1)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000653837824	562914746	/nfs/dbraw/zinc/91/47/46/562914746.db2.gz	FKSBYESEMYJJHL-PMEHDDBTSA-N	-1	3	543.708	5.596	1	30		KKEFHM
CCC[C@H](CO)[C@@H]1C[C@@H](Cc2ccnc(N)c2)C[C@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC([O-])=C(O)C(=O)[C@H]2C1	ZINC000085631379	565163729	/nfs/dbraw/zinc/16/37/29/565163729.db2.gz	WXGJJIAMMUPHSW-OTUAILNPSA-N	-1	3	638.805	5.259	1	30	biogenic,in-vitro	KKEFHM
CCC[C@H](CO)[C@@H]1C[C@@H](Cc2ccnc(N)c2)C[C@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)C(O)=C([O-])[C@H]2C1	ZINC000085631379	565163734	/nfs/dbraw/zinc/16/37/34/565163734.db2.gz	WXGJJIAMMUPHSW-OTUAILNPSA-N	-1	3	638.805	5.259	1	30	biogenic,in-vitro	KKEFHM
CCCC[C@@H]1C[C@@H](Cc2ccnc(NCCCO)c2)C[C@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC([O-])=C(O)C(=O)[C@H]2C1	ZINC000085631392	565164462	/nfs/dbraw/zinc/16/44/62/565164462.db2.gz	XICISCARAHWNOH-IENOHLRISA-N	-1	3	666.859	6.252	1	30	biogenic,in-vitro	KKEFHM
CCCC[C@@H]1C[C@@H](Cc2ccnc(NCCCO)c2)C[C@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)C(O)=C([O-])[C@H]2C1	ZINC000085631392	565164465	/nfs/dbraw/zinc/16/44/65/565164465.db2.gz	XICISCARAHWNOH-IENOHLRISA-N	-1	3	666.859	6.252	1	30	biogenic,in-vitro	KKEFHM
CCCCC[C@@H]1[C@@H](CCCC)C[C@@H](Cc2ccnc(N)c2)C[C@H]2C#C[C@@H](c3ccccc3)c3cc(O)c(OC)cc3CCC([O-])=CC(=O)[C@H]21	ZINC000085631551	565165410	/nfs/dbraw/zinc/16/54/10/565165410.db2.gz	IGNZWCNGLMTYJZ-TZTAPYBCSA-N	-1	3	662.915	8.876	1	30	biogenic,in-vitro	KKEFHM
CCCCC[C@@H]1[C@@H](CCCC)C[C@@H](Cc2ccnc(N)c2)C[C@H]2C#C[C@@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)C=C([O-])[C@H]21	ZINC000085631551	565165412	/nfs/dbraw/zinc/16/54/12/565165412.db2.gz	IGNZWCNGLMTYJZ-TZTAPYBCSA-N	-1	3	662.915	8.876	1	30	biogenic,in-vitro	KKEFHM
C[C@]1(O)[C@H]2CCC(=O)[C@H](C2)Cc2cccc(c2)CC/C=C2/C[C@@H](c3cc(O)cc(CO)c3)C#C[C@H]3CC(=O)Oc4cc([O-])c(cc43)C[C@H]1OC2=O	ZINC000150344606	565201135	/nfs/dbraw/zinc/20/11/35/565201135.db2.gz	RCXWJYCVGDEYIH-YBUPKWQUSA-N	-1	3	690.789	5.480	1	30	biogenic,in-vitro	KKEFHM
C/C=C1/C[C@@H](c2cccc(CO)c2)C#C[C@H]2CC(=O)Oc3cc([O-])c(cc32)C[C@H]([C@](O)(CCC)C2CCC(=O)CC2)OC1=O	ZINC000085571707	291887047	/nfs/dbraw/zinc/88/70/47/291887047.db2.gz	FEWBJWXWAXAGIQ-IMAVYKIXSA-N	-1	3	600.708	5.159	1	30	biogenic,in-vitro	KKEFHM
C[C@]1(O)[C@@H]2CCC(=O)[C@H](C2)Cc2cccc(c2)C2(CCCCC2)[C@H](O)/C=C2/C[C@H](c3cc(O)cc(CO)c3)C#C[C@@H]3CC(=O)Oc4cc([O-])c(cc43)C[C@H]1OC2=O	ZINC000150344547	518185500	/nfs/dbraw/zinc/18/55/00/518185500.db2.gz	ZHRXUUWTULXVHD-ZLUJNNFJSA-N	-1	3	774.907	6.110	1	30	biogenic,in-vitro	KKEFHM
Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-]	ZINC000013555541	561718570	/nfs/dbraw/zinc/71/85/70/561718570.db2.gz	LFOATKGEHBUQMH-QHCPKHFHSA-N	-1	3	523.504	8.510	1	30		KKEFHM
CCCCCCCCCCCCn1nnc([C@@H](Cc2ccccc2)S(=O)(=O)[N-]c2c(C(C)C)cccc2C(C)C)n1	ZINC000014277127	561738916	/nfs/dbraw/zinc/73/89/16/561738916.db2.gz	HDAPCIUJACKUQL-WJOKGBTCSA-N	-1	3	581.871	8.567	1	30		KKEFHM
C=C(C)[C@H](O)Cc1c([O-])cc2c(c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1CC=C(C)CCC=C(C)C)O2	ZINC000014615812	561739709	/nfs/dbraw/zinc/73/97/09/561739709.db2.gz	YMILJRPIVTZKTL-TWEKAJSDSA-N	-1	3	508.611	5.930	1	30	in-vitro	KKEFHM
CCCCc1nn(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1	ZINC000026573885	561798713	/nfs/dbraw/zinc/79/87/13/561798713.db2.gz	VHCWVAJMOZPCBD-UHFFFAOYSA-N	-1	3	566.669	5.870	1	30		KKEFHM
CCCCc1nn(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1	ZINC000026573885	561798715	/nfs/dbraw/zinc/79/87/15/561798715.db2.gz	VHCWVAJMOZPCBD-UHFFFAOYSA-N	-1	3	566.669	5.870	1	30		KKEFHM
O=C(CN(CC1CCCCC1)C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)N[O-]	ZINC000026672428	561812762	/nfs/dbraw/zinc/81/27/62/561812762.db2.gz	UTLBTKPJHMYSDB-UHFFFAOYSA-N	-1	3	572.706	5.860	1	30		KKEFHM
CCCCN(CC(=O)N[O-])C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1	ZINC000026721932	561815299	/nfs/dbraw/zinc/81/52/99/561815299.db2.gz	TVPDWLZUMDRQKU-UHFFFAOYSA-N	-1	3	532.641	5.080	1	30		KKEFHM
COc1ccc(S(=O)(=O)N(CC(=O)NC(C2CCCCC2)C2CCCCC2)[C@@H](CCSCc2ccccc2)C(=O)N[O-])cc1	ZINC000026837773	561824936	/nfs/dbraw/zinc/82/49/36/561824936.db2.gz	FCHACJJPJSMUHO-PMERELPUSA-N	-1	3	645.888	5.529	1	30		KKEFHM
CC(C)c1cccc(C(C)C)c1OS(=O)(=O)[N-]C(=O)Oc1c(C(C)(C)C)cc(CN(C)C)cc1C(C)(C)C	ZINC000028249685	561910851	/nfs/dbraw/zinc/91/08/51/561910851.db2.gz	KFIMBPGQEGWYQQ-UHFFFAOYSA-N	-1	3	546.774	7.207	1	30		KKEFHM
COc1cc(CC[C@@H](CCc2ccc(C(F)(F)F)cc2)OC(=S)[N-]CCc2ccccc2)ccc1O	ZINC000029330984	562013910	/nfs/dbraw/zinc/01/39/10/562013910.db2.gz	JFKFVVBPXGVJKI-XMMPIXPASA-N	-1	3	517.613	6.899	1	30		KKEFHM
CCCCCCCCCCCCCCCCOc1c(OC)cc2oc(-c3ccc(O)c(O)c3)cc([O-])c-2c1=O	ZINC000036241681	562051958	/nfs/dbraw/zinc/05/19/58/562051958.db2.gz	MNLYMKCSPADTAF-UHFFFAOYSA-N	-1	3	540.697	8.446	1	30		KKEFHM
CCCCCCCCCCCCCSc1nnc([N-]C(=O)Nc2c(C(C)C)cccc2C(C)C)n1C(C)=O	ZINC000036349986	562057964	/nfs/dbraw/zinc/05/79/64/562057964.db2.gz	SCZADDSZHZAKHC-UHFFFAOYSA-N	-1	3	543.822	9.232	1	30		KKEFHM
CC(=O)N1c2cccc([O-])c2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(Oc2ccccc2)cc1Cl	ZINC000040881275	562082665	/nfs/dbraw/zinc/08/26/65/562082665.db2.gz	NUWZEYGRQJGLMU-MUUNZHRXSA-N	-1	3	502.998	7.001	1	30		KKEFHM
Cc1cccc(C(=O)N2c3cccc([O-])c3N=C3CC(C)(C)CC(=O)C3[C@H]2c2ccc(OCc3ccccc3)cc2F)n1	ZINC000042803524	562088240	/nfs/dbraw/zinc/08/82/40/562088240.db2.gz	QIRFXOXAHTWAEQ-MGBGTMOVSA-N	-1	3	577.656	7.271	1	30		KKEFHM
Cc1cc(C(=O)N2c3cccc([O-])c3N=C3CC(C)(C)CC(=O)C3[C@H]2c2ccc(OCc3ccccc3)cc2F)no1	ZINC000042806556	562089730	/nfs/dbraw/zinc/08/97/30/562089730.db2.gz	WHWBKFIIXPWRLP-WJOKGBTCSA-N	-1	3	567.617	6.864	1	30		KKEFHM
CC(C)=CCC[C@]1(C)[C@H](C/C=C(\C)CO)C[C@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C([O-])[C@@]1(C(=O)C(C)C)C2=O	ZINC000100042385	560053622	/nfs/dbraw/zinc/05/36/22/560053622.db2.gz	WAWNJTSHFZXFBV-KCTJDVLHSA-N	-1	3	552.796	7.962	1	30	biogenic,in-vitro	KKEFHM
CC(C)=CCC[C@]1(C)[C@H](C/C=C(\C)CO)C[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C(=O)C(CC=C(C)C)=C2[O-]	ZINC000100042385	560053624	/nfs/dbraw/zinc/05/36/24/560053624.db2.gz	WAWNJTSHFZXFBV-KCTJDVLHSA-N	-1	3	552.796	7.962	1	30	biogenic,in-vitro	KKEFHM
CCCCCCCCCCCCCCCC(=O)Oc1cc([O-])c2c(c1)O[C@H](c1ccc(OC)c(O)c1)CC2=O	ZINC000043300230	562647410	/nfs/dbraw/zinc/64/74/10/562647410.db2.gz	LVDKUXFHUPSGJC-LJAQVGFWSA-N	-1	3	540.697	8.200	1	30		KKEFHM
CCCCCCCCCCCCCCCCC(=O)Oc1cc([O-])c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O	ZINC000043365977	562648061	/nfs/dbraw/zinc/64/80/61/562648061.db2.gz	CDYAYMBWUJDEBW-LJAQVGFWSA-N	-1	3	524.698	8.581	1	30		KKEFHM
CCC[C@H](C(=O)N[O-])[C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(-c3ccc(C(F)(F)F)cc3)c2)C1=O	ZINC000043523704	562648855	/nfs/dbraw/zinc/64/88/55/562648855.db2.gz	ZOIKTJXGOROGOY-VJGNERBWSA-N	-1	3	575.672	5.954	1	30		KKEFHM
CCCCCCCCCCCC(=O)O[C@H](CC)c1nc2c(cccc2C(F)(F)F)c([O-])c1C(=O)Nc1nccs1	ZINC000043938704	562651244	/nfs/dbraw/zinc/65/12/44/562651244.db2.gz	DAKDECDDNHHPAG-OAQYLSRUSA-N	-1	3	579.685	8.583	1	30		KKEFHM
CCC[C@H](C(=O)N[O-])[C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(-c3ccccc3-c3cccc4ccccc43)c2)C1=O	ZINC000044052869	562651868	/nfs/dbraw/zinc/65/18/68/562651868.db2.gz	HVPDQALJLMAIEW-QOEXFKEZSA-N	-1	3	633.833	7.755	1	30		KKEFHM
Cc1c(C)c2c(c(C)c1OCCCC#N)CC[C@](C)(COc1ccc(C=C3SC(=O)[N-]C3=O)cc1Br)O2	ZINC000049767024	562677330	/nfs/dbraw/zinc/67/73/30/562677330.db2.gz	NNHISQOAXRMKEQ-JOKIHGTQSA-N	-1	3	585.520	6.544	1	30		KKEFHM
O=C(N[O-])[C@@H](Cc1cccc(Oc2ccccc2)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000049776267	562679318	/nfs/dbraw/zinc/67/93/18/562679318.db2.gz	QGXXRXNJLHZKQO-SSEXGKCCSA-N	-1	3	535.644	5.077	1	30		KKEFHM
CCCCCCCCCCCCCCCC(=O)Oc1cc([O-])c2c(c1)O[C@H](c1ccc3c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@H](CO)O3)[C@@H](O)C2=O	ZINC000049780479	562681767	/nfs/dbraw/zinc/68/17/67/562681767.db2.gz	WPMFGQMFMQCEOY-NGOLUSECSA-N	-1	3	720.856	8.044	1	30		KKEFHM
C=C1[C@H](C/C=C(\C)[C@@H]2Cc3c(O)ccc([O-])c3-c3oc4ccccc4c(=O)c32)[C@@]2(C)CCCC(C)(C)[C@@H]2C[C@@H]1O	ZINC000049785606	562684036	/nfs/dbraw/zinc/68/40/36/562684036.db2.gz	AHTDOSQUZMXRQZ-IJBJEVFYSA-N	-1	3	540.700	7.617	1	30		KKEFHM
CSC(C)=NOC(=O)N(C)SN(C(=O)[N-]C(=O)c1ccccc1Cl)c1ccc(C(F)(F)F)cc1	ZINC000060178877	562702549	/nfs/dbraw/zinc/70/25/49/562702549.db2.gz	PJWKFCLJKQRSFY-RPPGKUMJSA-N	-1	3	534.969	6.043	1	30		KKEFHM
CSC(C)=NOC(=O)N(C)SN(C(=O)[N-]C(=O)c1ccccc1Cl)c1ccc(Br)cc1	ZINC000060178903	562702616	/nfs/dbraw/zinc/70/26/16/562702616.db2.gz	AUIVARHAUJQZHH-FSJBWODESA-N	-1	3	545.868	5.787	1	30		KKEFHM
CSC(C)=NOC(=O)N(C)SN(C(=O)[N-]C(=O)c1ccccc1Cl)c1ccc(OC(F)(F)F)cc1	ZINC000060178902	562702639	/nfs/dbraw/zinc/70/26/39/562702639.db2.gz	IPBSBRWLSVNLFJ-RPPGKUMJSA-N	-1	3	550.968	5.923	1	30		KKEFHM
COc1ccc(/C=C(\C(=O)c2ccc(Br)cc2)S(=O)(=O)Cc2ccc(Cl)cc2)c([O-])c1	ZINC000064475042	562705817	/nfs/dbraw/zinc/70/58/17/562705817.db2.gz	AEYTZUPSJLRANI-WSDLNYQXSA-N	-1	3	521.816	5.656	1	30		KKEFHM
CCC(=O)N(CCCCCCCCNC(=NC(=O)OC(C)(C)C)[N-]C(=O)OC(C)(C)C)C1CCN(CCc2ccccc2)CC1	ZINC000066104305	562711719	/nfs/dbraw/zinc/71/17/19/562711719.db2.gz	UXDREEDMMNACPU-UHFFFAOYSA-N	-1	3	629.887	6.883	1	30		KKEFHM
CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](Oc2cc([O-])cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000072106283	562720954	/nfs/dbraw/zinc/72/09/54/562720954.db2.gz	YZIULMCHXOHEID-GLYBYPTESA-N	-1	3	628.803	6.479	1	30		KKEFHM
COc1ccc(-c2cc(-c3cccs3)nc3sc(C(=O)[N-]n4c(C)cc(C)c(C#N)c4=O)c(N)c32)cc1	ZINC000072117109	562723332	/nfs/dbraw/zinc/72/33/32/562723332.db2.gz	FTAYXNRFNMMSRI-UHFFFAOYSA-N	-1	3	527.631	5.317	1	30		KKEFHM
N/C(=N\[O-])c1ccc(S(=O)(=O)C2=C(c3ccc(Nc4cccc(/C(N)=N/O)c4)cc3)OC(c3ccccc3)(c3ccccc3)C2)cc1	ZINC000072128710	562726247	/nfs/dbraw/zinc/72/62/47/562726247.db2.gz	HKDNREMEXBUFKS-UHFFFAOYSA-N	-1	3	645.741	6.126	1	30		KKEFHM
O=C(/C=C/c1ccc(OCc2ccc(Br)cc2)cc1)N[C@@H](CCCCCC(=O)N[O-])C(=O)Nc1cccc2cccnc21	ZINC000072149302	562730027	/nfs/dbraw/zinc/73/00/27/562730027.db2.gz	WRLCHTLRQIVZRZ-HWBZRQDXSA-N	-1	3	645.554	6.169	1	30		KKEFHM
CC1(C)CCCC[C@H]1C=CC(=CC([O-])(C(F)(F)F)C(F)(F)F)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000073298338	562737758	/nfs/dbraw/zinc/73/77/58/562737758.db2.gz	IVIYVFDVKAIWGC-NFXDRYPYSA-N	-1	3	526.434	6.289	1	30		KKEFHM
CC(C)=CCC[C@]1(C)C=Cc2c([O-])c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)OCCN1CCCCC1)C4=O)C3=O	ZINC000082164825	562741225	/nfs/dbraw/zinc/74/12/25/562741225.db2.gz	PPPYEXJLRAIHIL-MJQRFYOKSA-N	-1	3	739.950	8.184	1	30		KKEFHM
CC(C)(C)c1ccc(Cn2c(C=N[N-]c3nc4ccsc4c(N4CCOCC4)n3)nc3ccccc32)cc1	ZINC000084671739	562748620	/nfs/dbraw/zinc/74/86/20/562748620.db2.gz	UJFGYJSFPDTKIU-UXHLAJHPSA-N	-1	3	525.682	5.669	1	30		KKEFHM
CC(C)CN(c1ccc([C@@]([O-])(C#Cc2ccc(Cl)cc2)C(F)(F)F)cc1)S(=O)(=O)c1cccc(C#N)c1	ZINC000084687791	562748978	/nfs/dbraw/zinc/74/89/78/562748978.db2.gz	DFDDEXIVIDCBJU-SANMLTNESA-N	-1	3	546.998	5.865	1	30		KKEFHM
CC(C)(C)CN(c1ccc([C@@]([O-])(C#Cc2ccc(S(C)(=O)=O)cc2)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1	ZINC000084690269	562749580	/nfs/dbraw/zinc/74/95/80/562749580.db2.gz	ZATNJKHDTLHDQN-MHZLTWQESA-N	-1	3	579.662	5.133	1	30		KKEFHM
CS(=O)(=O)c1ccc(C#C[C@@]([O-])(c2ccc(N(CC3CCCC3)S(=O)(=O)c3ccccc3)cc2)C(F)(F)F)cc1	ZINC000084704120	562749866	/nfs/dbraw/zinc/74/98/66/562749866.db2.gz	RXPXFGQFOCMGBP-MUUNZHRXSA-N	-1	3	591.673	5.277	1	30		KKEFHM
CCCCCCCCCCCCCCCCOCCCO[P@]1(=O)CO[C@@H](Cn2cnc3c2nc[n-]c3=O)CO1	ZINC000084728022	562751429	/nfs/dbraw/zinc/75/14/29/562751429.db2.gz	NAPXAVBBXIQYDN-JJDPYXMGSA-N	-1	3	568.696	6.590	1	30		KKEFHM
COc1ccc(/C=C/C(=O)C(=Cc2ccc([O-])c(OC)c2)C(=O)/C=C/c2ccc(OC)cc2OC)c(OC)c1	ZINC000084756955	562752338	/nfs/dbraw/zinc/75/23/38/562752338.db2.gz	RBXSFGZXHWNHGH-AOEKMSOUSA-N	-1	3	530.573	5.384	1	30		KKEFHM
CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(n2c3ccccc3n(CC(=O)[O-])c2=O)CC1)c1ccc(Cl)c(Cl)c1	ZINC000095543920	562757525	/nfs/dbraw/zinc/75/75/25/562757525.db2.gz	FRDDXKUSVLZWRL-BERJDBMDSA-N	-1	3	735.496	7.087	1	30		KKEFHM
CCCCCCCCCCCCCC[N+](C)(C)Cc1cc([O-])c2c(c1)C(=O)c1cc(OC)cc([O-])c1C2=O	ZINC000095558276	562762398	/nfs/dbraw/zinc/76/23/98/562762398.db2.gz	DAPBBDAZUCUXHV-UHFFFAOYSA-O	-1	3	524.722	7.159	1	30		KKEFHM
CCC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	ZINC000095588024	562774515	/nfs/dbraw/zinc/77/45/15/562774515.db2.gz	MIOWSYXKBKEWOH-UUWRZZSWSA-N	-1	3	784.404	9.304	1	30		KKEFHM
CC[C@H](C)C1=CC(C=CC(=O)c2ccc([O-])cc2)=CC(=CNCCCNc2ccnc3cc(Cl)ccc32)C1=O	ZINC000102974399	562813841	/nfs/dbraw/zinc/81/38/41/562813841.db2.gz	QKZNMAMOPDKHNQ-KJABBYTOSA-N	-1	3	542.079	6.790	1	30		KKEFHM
CCCCCCCCCCOc1ccc(-c2coc3cc(OCCCCCCCCCC)cc([O-])c3c2=O)cc1	ZINC000103273916	562823106	/nfs/dbraw/zinc/82/31/06/562823106.db2.gz	QSHXUEGMXLRSGM-UHFFFAOYSA-N	-1	3	550.780	10.205	1	30		KKEFHM
O=C(NC[C@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(F)cn1)[C@@]([O-])(c1ccccc1)C(F)(F)F	ZINC000114404721	562828208	/nfs/dbraw/zinc/82/82/08/562828208.db2.gz	CMNNDSPUDJVCNI-IZLXSDGUSA-N	-1	3	594.502	6.474	1	30		KKEFHM
COc1cc(-c2cc(NC(=O)Nc3cc(OCCN(C)C)ccc3C)cc(OC)c2OC)ccc1/C(C)=N/[O-]	ZINC000169324005	562857233	/nfs/dbraw/zinc/85/72/33/562857233.db2.gz	HMYVFNTZPRFULV-BIZUNTBRSA-N	-1	3	536.629	5.470	1	30		KKEFHM
COc1cc(-c2cc(NC(=O)Nc3cc(OCCN4CCCCC4)ccc3C)cc(OC)c2OC)ccc1/C(C)=N/[O-]	ZINC000169324011	562857259	/nfs/dbraw/zinc/85/72/59/562857259.db2.gz	LQRWGNUFBIFEKD-FADJLKOXSA-N	-1	3	576.694	6.395	1	30		KKEFHM
C=C1CCC[C@@H]2Nc3ccc(Br)cc3[C@]12CC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl	ZINC000169346928	562861884	/nfs/dbraw/zinc/86/18/84/562861884.db2.gz	HSUHQSAQHGPFQN-SFTDATJTSA-N	-1	3	516.288	5.897	1	30		KKEFHM
CC(C)(CN1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccc(NC(=O)c2nc(C#N)c[n-]2)c(C2=CCC(C)(C)CC2)c1	ZINC000169701090	562867943	/nfs/dbraw/zinc/86/79/43/562867943.db2.gz	SWFQNHQEKMAWNJ-PLQXJYEYSA-N	-1	3	517.674	5.240	1	30		KKEFHM
CC(C)(CN1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccc(NC(=O)c2ncc(C#N)[n-]2)c(C2=CCC(C)(C)CC2)c1	ZINC000169701090	562867942	/nfs/dbraw/zinc/86/79/42/562867942.db2.gz	SWFQNHQEKMAWNJ-PLQXJYEYSA-N	-1	3	517.674	5.240	1	30		KKEFHM
CC(C)(C)[C@@H](NC(=O)[C@@H](CCCc1ccc(-c2ccccc2)cc1)CC(=O)N[O-])C(=O)NC(c1ccccc1)c1ccccc1	ZINC000213422730	562877245	/nfs/dbraw/zinc/87/72/45/562877245.db2.gz	YWZDVYPIFZUSBG-SHUZPENHSA-N	-1	3	605.779	6.625	1	30		KKEFHM
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(NC(=O)CCCCC(=O)N[O-])[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C	ZINC000299824777	562883379	/nfs/dbraw/zinc/88/33/79/562883379.db2.gz	IZNKIZZLRKRNAN-HLTYWJPGSA-N	-1	3	570.859	6.939	1	30		KKEFHM
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)N(C)[O-])CC[C@]23C)C1(C)C	ZINC000653777790	562911968	/nfs/dbraw/zinc/91/19/68/562911968.db2.gz	DVPYLGDJYYVKAJ-CWCCKSQSSA-N	-1	3	527.790	7.423	1	30		KKEFHM
C=CCO[N-]C(=O)[C@]12CC[C@@H](C(=C)C)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2	ZINC000653790933	562912647	/nfs/dbraw/zinc/91/26/47/562912647.db2.gz	HAUGTPQQKLPDBP-KZDAZGORSA-N	-1	3	509.775	7.447	1	30		KKEFHM
CC(C)=CCC/C(C)=C/C[C@@H]1C[C@@]2(CC=C(C)C)C(=O)C(OC(=O)c3ccc([O-])c(O)c3)C(=O)[C@](CC=C(C)C)(C2=O)[C@@]1(C)CCC=C(C)C	ZINC000653838492	562914777	/nfs/dbraw/zinc/91/47/77/562914777.db2.gz	CHKHQKWCDFPWGM-SSVAQFLFSA-N	-1	3	686.930	10.717	1	30		KKEFHM
CCCCCNc1cc(-c2cc(CC[C@H]3O[C@@]34CCCC[C@H]3c5c([O-])c6c(=O)cc(C)oc6cc5OC(C)(C)[C@@H]3OC4=O)cc(N)n2)ccn1	ZINC000085593982	565150696	/nfs/dbraw/zinc/15/06/96/565150696.db2.gz	OFBHTUNPMQXHJQ-YQIFZTDCSA-N	-1	3	682.818	6.959	1	30	biogenic,in-vitro	KKEFHM
CCCCCNc1cc(-c2cc(CC[C@H]3O[C@@]34CCCC[C@H]3c5c(cc6oc(C)cc([O-])c-6c5=O)OC(C)(C)[C@@H]3OC4=O)cc(N)n2)ccn1	ZINC000085593982	565150701	/nfs/dbraw/zinc/15/07/01/565150701.db2.gz	OFBHTUNPMQXHJQ-YQIFZTDCSA-N	-1	3	682.818	6.959	1	30	biogenic,in-vitro	KKEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(O[C@@H]2CCc2cc(N)nc(-c4ccnc(N)c4)c2)C2CCC(CC2)[C@@H]31	ZINC000085593972	565151037	/nfs/dbraw/zinc/15/10/37/565151037.db2.gz	LVPJBFHTMFBIFH-SRWRLQPQSA-N	-1	3	638.721	5.185	1	30	biogenic,in-vitro	KKEFHM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(O[C@@H]2CCc2cc(N)nc(-c4ccnc(N)c4)c2)C2CCC(CC2)[C@@H]31	ZINC000085593972	565151043	/nfs/dbraw/zinc/15/10/43/565151043.db2.gz	LVPJBFHTMFBIFH-SRWRLQPQSA-N	-1	3	638.721	5.185	1	30	biogenic,in-vitro	KKEFHM
COc1cc2c(cc1O)[C@@H](c1ccccc1)C#C[C@@H]1C[C@H](Cc3ccnc(N)c3)C[C@@H](CCCC3CCCCC3)C[C@@H]1C(=O)C(O)=C([O-])CC2	ZINC000085631457	565164479	/nfs/dbraw/zinc/16/44/79/565164479.db2.gz	YKMKFNOUDKRPTI-AUUHVUKBSA-N	-1	3	676.898	7.601	1	30	biogenic,in-vitro	KKEFHM
COc1cc2c(cc1O)[C@@H](c1ccccc1)C#C[C@@H]1C[C@H](Cc3ccnc(N)c3)C[C@@H](CCCC3CCCCC3)C[C@@H]1C([O-])=C(O)C(=O)CC2	ZINC000085631457	565164483	/nfs/dbraw/zinc/16/44/83/565164483.db2.gz	YKMKFNOUDKRPTI-AUUHVUKBSA-N	-1	3	676.898	7.601	1	30	biogenic,in-vitro	KKEFHM
COc1ccc2cc1OCc1ccc3c(c([O-])cc4c3c1C=C[C@H]4C)CC#CO[C@@H](C[C@@H]1CC(=O)C=C[C@H]1CCCCc1cccc(NC[C@H](C)O)c1)CC(=O)CC2	ZINC000085595914	291981329	/nfs/dbraw/zinc/98/13/29/291981329.db2.gz	ZHKNGBRNASEFHF-WYIPINQKSA-N	-1	3	781.990	9.897	1	30	biogenic,in-vitro	KKEFHM
C=C(C)[C@H](CC=C(C)C)C[C@@]12C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(Cc3ccc(O)c(O)c3)=C1[O-])C2=O	ZINC000005724404	561697747	/nfs/dbraw/zinc/69/77/47/561697747.db2.gz	VJXOJGNMGGVHLA-GNFKCFFRSA-N	-1	3	588.829	9.274	1	30		KKEFHM
C=C(C)[C@H](CC=C(C)C)C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C1=O)C([O-])=C(Cc1ccc(O)c(O)c1)C2=O	ZINC000005724404	561697748	/nfs/dbraw/zinc/69/77/48/561697748.db2.gz	VJXOJGNMGGVHLA-GNFKCFFRSA-N	-1	3	588.829	9.274	1	30		KKEFHM
O=C1C=CC(=C(c2ccc([O-])cc2)c2c(C#Cc3ccc(O)cc3)c(CO)ccc2-c2ccc(O)cc2)C=C1	ZINC000014695485	561739989	/nfs/dbraw/zinc/73/99/89/561739989.db2.gz	SJSFYXIEVFIZJC-UHFFFAOYSA-N	-1	3	512.561	5.860	1	30		KKEFHM
O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc([C@]([O-])(C#Cc2ccccc2)C(F)(F)F)cc1	ZINC000014976888	561752240	/nfs/dbraw/zinc/75/22/40/561752240.db2.gz	SAKKPZOSAFYJBK-JOCHJYFZSA-N	-1	3	513.459	5.246	1	30		KKEFHM
COC(=O)c1nc[n-]c1CNc1cc(Br)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1	ZINC000014977453	561752327	/nfs/dbraw/zinc/75/23/27/561752327.db2.gz	QUQCOBXUNWWUSB-UHFFFAOYSA-N	-1	3	529.757	5.527	1	30		KKEFHM
CCCc1nc(CC)c(C(=O)OCC#CC(=O)N(c2ccccc2)c2ccccc2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1	ZINC000026378265	561782877	/nfs/dbraw/zinc/78/28/77/561782877.db2.gz	IFWBWVOFUGRDSE-UHFFFAOYSA-N	-1	3	649.755	6.819	1	30		KKEFHM
CCCc1nc(CC)c(C(=O)OCC#CC(=O)N(c2ccccc2)c2ccccc2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1	ZINC000026378265	561782880	/nfs/dbraw/zinc/78/28/80/561782880.db2.gz	IFWBWVOFUGRDSE-UHFFFAOYSA-N	-1	3	649.755	6.819	1	30		KKEFHM
CCC[C@@H](C)N(CC(=O)N[O-])C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1	ZINC000026716020	561814081	/nfs/dbraw/zinc/81/40/81/561814081.db2.gz	ILSJMXQCMMFBCS-XMMPIXPASA-N	-1	3	546.668	5.468	1	30		KKEFHM
COc1ccc(S(=O)(=O)N(CC(C)C)[C@H](CCSCc2ccc([C@H]3C=CCCC3)cc2)C(=O)N[O-])cc1	ZINC000026828830	561822514	/nfs/dbraw/zinc/82/25/14/561822514.db2.gz	MEVLEABHOAUFQW-WNCULLNHSA-N	-1	3	546.755	5.363	1	30		KKEFHM
CN(C[C@@H](CCN1CCC(c2ccc(C(=O)[O-])cc2[S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(C#N)cc2ccccc21	ZINC000027318768	561852171	/nfs/dbraw/zinc/85/21/71/561852171.db2.gz	GQMYDNHVSUXMFN-FJBVROLSSA-N	-1	3	676.666	7.579	1	30		KKEFHM
CN(C[C@@H](CCN1CCC(c2ccc(C(=O)[O-])cc2[S@@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(C#N)cc2ccccc21	ZINC000027318762	561852198	/nfs/dbraw/zinc/85/21/98/561852198.db2.gz	GQMYDNHVSUXMFN-XMGMBJFZSA-N	-1	3	676.666	7.579	1	30		KKEFHM
COc1ccc([P@@](=O)(OCCc2ccc(-c3ccccc3)cc2)N2Cc3ccccc3C[C@@H]2C(=O)N[O-])cc1	ZINC000028007070	561895773	/nfs/dbraw/zinc/89/57/73/561895773.db2.gz	PCAPSCAFNCUGDE-GFZJOKKCSA-N	-1	3	542.572	5.372	1	30		KKEFHM
CC(C)OC(=O)N([O-])CCC#Cc1ccc(OCCCCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1	ZINC000028122892	561904592	/nfs/dbraw/zinc/90/45/92/561904592.db2.gz	AITHPZKEMCVCDZ-UHFFFAOYSA-N	-1	3	605.726	6.509	1	30	in-vivo	KKEFHM
CC[C@H](c1ccccc1)[C@@H](c1ccc(O)cc1)c1ccc(OCCN(C)CCO/N=C/c2ccc([O-])c(C(N)=O)c2)cc1	ZINC000028225231	561907893	/nfs/dbraw/zinc/90/78/93/561907893.db2.gz	MHOBLDMCIRQQBQ-SBGPVKNESA-N	-1	3	581.713	5.884	1	30		KKEFHM
CC[C@H](c1ccccc1)[C@H](c1ccc(O)cc1)c1ccc(OCCN(C)CCOCCO/N=C/c2ccc([O-])c(C(N)=O)c2)cc1	ZINC000028225577	561907919	/nfs/dbraw/zinc/90/79/19/561907919.db2.gz	YFIFXXYJJRIEKS-AXPNXWCZSA-N	-1	3	625.766	5.900	1	30		KKEFHM
CC[C@H](C)C(=O)[C@]12C(=O)[C@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C(=O)C(CC=C(C)C)=C2[O-]	ZINC000028709486	561950635	/nfs/dbraw/zinc/95/06/35/561950635.db2.gz	DHPDSOCOUJHGHE-VSTIYMNMSA-N	-1	3	550.824	9.380	1	30		KKEFHM
CC[C@H](C)C(=O)[C@@]12C(=O)C(CC=C(C)C)=C([O-])[C@@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O	ZINC000028709486	561950637	/nfs/dbraw/zinc/95/06/37/561950637.db2.gz	DHPDSOCOUJHGHE-VSTIYMNMSA-N	-1	3	550.824	9.380	1	30		KKEFHM
O=C(CCCCCN1C(=O)c2ccccc2N(Cc2cccc3ccccc32)C(=O)[C@@H]1Cc1ccccc1)N[O-]	ZINC000028824358	561969561	/nfs/dbraw/zinc/96/95/61/561969561.db2.gz	VWLNMWQLEODNQB-PMERELPUSA-N	-1	3	535.644	5.506	1	30		KKEFHM
CCN(CC)C[C@H]1CN(C(=O)Cn2c3cc(C(=O)[N-]S(=O)(=O)CC)ccc3c(C3CCCCC3)c2-c2ccc(OC)cc2)CCO1	ZINC000028949768	561980944	/nfs/dbraw/zinc/98/09/44/561980944.db2.gz	NLJWSMNDMLQASY-LJAQVGFWSA-N	-1	3	652.858	5.588	1	30		KKEFHM
CC(C)N(Cc1ccccc1)[C@@H](CN(c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)S(C)(=O)=O)C(=O)N[O-]	ZINC000029039842	561990263	/nfs/dbraw/zinc/99/02/63/561990263.db2.gz	XTJBWIGVMWHTBK-VWLOTQADSA-N	-1	3	565.614	5.048	1	30		KKEFHM
CCCOc1ccc(-c2ccc(-c3ccccc3Cl)n2C=C([O-])NC(=N)NCc2ccc(F)c(F)c2F)cc1	ZINC000029130191	562002414	/nfs/dbraw/zinc/00/24/14/562002414.db2.gz	BVZZQNZVAJXFFB-UHFFFAOYSA-N	-1	3	555.000	6.313	1	30		KKEFHM
N#Cc1c([N-]C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)sc2c1C[C@@H](c1ccccc1)CC2	ZINC000029133869	562003663	/nfs/dbraw/zinc/00/36/63/562003663.db2.gz	GYPJFXQKHORFMY-KRWDZBQOSA-N	-1	3	576.527	5.472	1	30		KKEFHM
CCCCCCCCCCCCCCCCc1c(=O)c2c(OC)cc(OC)c(OC)c2oc1-c1ccc([O-])c(O)c1	ZINC000036222849	562051740	/nfs/dbraw/zinc/05/17/40/562051740.db2.gz	JDHBMHBPKFHICH-UHFFFAOYSA-N	-1	3	568.751	8.921	1	30		KKEFHM
CCCCCCCCCCCCCCCCn1nnc(CS(=O)(=O)[N-]c2c(C(C)C)cccc2C(C)C)n1	ZINC000036349886	562058011	/nfs/dbraw/zinc/05/80/11/562058011.db2.gz	DILHYVFUWDORTA-UHFFFAOYSA-N	-1	3	547.854	8.343	1	30		KKEFHM
CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)C(C/C=C(\C)CO)=C([O-])[C@@]1(C(=O)C(C)C)C2=O	ZINC000100042403	560053627	/nfs/dbraw/zinc/05/36/27/560053627.db2.gz	URCNCZBUMBTRPQ-KCTJDVLHSA-N	-1	3	552.796	7.962	1	30	biogenic,in-vitro	KKEFHM
CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C(=O)C(C/C=C(\C)CO)=C2[O-]	ZINC000100042403	560053629	/nfs/dbraw/zinc/05/36/29/560053629.db2.gz	URCNCZBUMBTRPQ-KCTJDVLHSA-N	-1	3	552.796	7.962	1	30	biogenic,in-vitro	KKEFHM
CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H]1c2cc(C)cc(O)c2C(=O)c2c([O-])cc(OC)cc21	ZINC000085964637	560066085	/nfs/dbraw/zinc/06/60/85/560066085.db2.gz	VBRSAXVZIFOMBJ-GPSJOJJHSA-N	-1	3	550.736	8.629	1	30	biogenic,in-vitro	KKEFHM
CCCCCCCN(CC(=O)N[O-])C(=O)CN(C(=O)Nc1ccc(OCCCC)cc1)C(c1ccccc1)c1ccccc1	ZINC000043307505	562647515	/nfs/dbraw/zinc/64/75/15/562647515.db2.gz	YQIVJUKRUOXAHU-UHFFFAOYSA-N	-1	3	602.776	6.793	1	30		KKEFHM
CCCCCCCN(CC(=O)N[O-])C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1	ZINC000043845773	562651003	/nfs/dbraw/zinc/65/10/03/562651003.db2.gz	YTDLONOVKJHSJS-UHFFFAOYSA-N	-1	3	574.722	6.250	1	30		KKEFHM
O=C(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Nc1ccc(Cc2nnn[n-]2)cc1	ZINC000049770007	562677934	/nfs/dbraw/zinc/67/79/34/562677934.db2.gz	QRZJNFJQOSKAIQ-UHFFFAOYSA-N	-1	3	635.278	6.129	1	30		KKEFHM
O=C(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Nc1ccc(Cc2nn[n-]n2)cc1	ZINC000049770007	562677935	/nfs/dbraw/zinc/67/79/35/562677935.db2.gz	QRZJNFJQOSKAIQ-UHFFFAOYSA-N	-1	3	635.278	6.129	1	30		KKEFHM
C[C@@H](O[C@H]1CN2C(=O)[C@@H](NCc3n[n-]nc3CN(C)C)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000049777773	562680526	/nfs/dbraw/zinc/68/05/26/562680526.db2.gz	HIICGKDBMNCMRY-SLQPQJLDSA-N	-1	3	628.593	5.046	1	30		KKEFHM
CN(C)Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)c(OCCc2ccc3ccccc3c2)c1	ZINC000049780758	562682176	/nfs/dbraw/zinc/68/21/76/562682176.db2.gz	XFEQJTJHYVKTOT-UHFFFAOYSA-N	-1	3	552.643	6.079	1	30		KKEFHM
CCCCCCCCCCCCCCCCCCN1C[C@H](C)N(C(=O)c2ccc(Cc3nc(=O)o[n-]3)cc2)C[C@@H]1C	ZINC000049784919	562683854	/nfs/dbraw/zinc/68/38/54/562683854.db2.gz	FDEPNMFPCSRMRB-VMPREFPWSA-N	-1	3	568.847	7.750	1	30		KKEFHM
CCCCCCCCCCCCCCCCCC(=O)c1[n-]nc2c1C(=O)N(Cc1ccc(F)cc1)C2=O	ZINC000049785703	562684084	/nfs/dbraw/zinc/68/40/84/562684084.db2.gz	WMMNBMRPXBOXDC-UHFFFAOYSA-N	-1	3	511.682	7.789	1	30		KKEFHM
CCCCCCCCCCCCCCCCCC(=O)c1n[n-]c2c1C(=O)N(Cc1ccc(F)cc1)C2=O	ZINC000049785703	562684085	/nfs/dbraw/zinc/68/40/85/562684085.db2.gz	WMMNBMRPXBOXDC-UHFFFAOYSA-N	-1	3	511.682	7.789	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@@H](C5)CC[C@H]2[C@](C)(C=CC=C(CC)C(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049804001	562686291	/nfs/dbraw/zinc/68/62/91/562686291.db2.gz	KVJHZYMACRMECF-URUHARSQSA-N	-1	3	693.925	8.573	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@@H](C5)CC[C@H]2[C@](C)(C=CC=C(CC)C(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049804001	562686292	/nfs/dbraw/zinc/68/62/92/562686292.db2.gz	KVJHZYMACRMECF-URUHARSQSA-N	-1	3	693.925	8.573	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@]4(C)C[C@@H]([C@@H](O)[C@@H](C)C(=O)[O-])O[C@@]4(O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049817207	562686820	/nfs/dbraw/zinc/68/68/20/562686820.db2.gz	UVWBKHSYPWQMOP-KKCKCQISSA-N	-1	3	713.912	6.794	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@]4(C)C[C@@H]([C@@H](O)[C@@H](C)C(=O)[O-])O[C@@]4(O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049817207	562686821	/nfs/dbraw/zinc/68/68/21/562686821.db2.gz	UVWBKHSYPWQMOP-KKCKCQISSA-N	-1	3	713.912	6.794	1	30		KKEFHM
CC(C)(C)CC[C@]1(NCc2ccccc2C(F)(F)F)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000049833475	562687823	/nfs/dbraw/zinc/68/78/23/562687823.db2.gz	MBTMOQWJAAIQKA-HKBQPEDESA-N	-1	3	690.766	5.953	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@](C)(C=CC(C)=CC(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O	ZINC000049863782	562689226	/nfs/dbraw/zinc/68/92/26/562689226.db2.gz	WNDPKXCADIELCH-VRWWJLTJSA-N	-1	3	679.898	8.183	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@](C)(C=CC(C)=CC(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O	ZINC000049863782	562689227	/nfs/dbraw/zinc/68/92/27/562689227.db2.gz	WNDPKXCADIELCH-VRWWJLTJSA-N	-1	3	679.898	8.183	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@](C)(C=CC=C(C)C(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O	ZINC000049952354	562695778	/nfs/dbraw/zinc/69/57/78/562695778.db2.gz	UNCVXXVJJXJZII-QDFFYPHYSA-N	-1	3	679.898	8.183	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@](C)(C=CC=C(C)C(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O	ZINC000049952354	562695779	/nfs/dbraw/zinc/69/57/79/562695779.db2.gz	UNCVXXVJJXJZII-QDFFYPHYSA-N	-1	3	679.898	8.183	1	30		KKEFHM
CC(C)(C)CC[C@@]1(NCc2ccc3ccccc3c2)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000058520995	562698598	/nfs/dbraw/zinc/69/85/98/562698598.db2.gz	RVURIWXELGVDTH-PGUFJCEWSA-N	-1	3	672.829	6.087	1	30		KKEFHM
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@@](C)(C(=O)N(C)[O-])CC[C@]4(C)CC[C@]23C)C1(C)C	ZINC000064527788	562707187	/nfs/dbraw/zinc/70/71/87/562707187.db2.gz	JMPAVZYYYUPQJB-IREBYWSLSA-N	-1	3	541.773	6.746	1	30		KKEFHM
Cc1cccc(Nc2ccccc2C(=O)N[C@@H](CCCCCC(=O)N[O-])C(=O)Nc2cccc3cccnc32)c1C	ZINC000064559025	562708309	/nfs/dbraw/zinc/70/83/09/562708309.db2.gz	WLLPHTKJXSWSPM-NDEPHWFRSA-N	-1	3	553.663	5.788	1	30		KKEFHM
NS(=O)(=O)c1ccc(N2c3nc(-c4ccccc4)[n-]c(=O)c3[C@H](c3ccc(Cl)cc3Cl)C3=C2CCCC3=O)cc1	ZINC000066099790	562711162	/nfs/dbraw/zinc/71/11/62/562711162.db2.gz	AJHGSFAMXVBYOD-XMMPIXPASA-N	-1	3	593.492	6.094	1	30		KKEFHM
N/C(=N\[O-])c1ccc(C2=C(S(=O)(=O)c3ccc(Nc4ccc(/C(N)=N/O)cc4)cc3)CC(c3ccccc3)(c3ccccc3)O2)cc1	ZINC000072122061	562724373	/nfs/dbraw/zinc/72/43/73/562724373.db2.gz	YPMITMRMTUCDEH-UHFFFAOYSA-N	-1	3	645.741	6.126	1	30		KKEFHM
N/C(=N\[O-])c1ccc(C2=C(S(=O)(=O)c3ccc(/C=C/c4ccc(/C(N)=N/O)cc4)cc3)CC(c3ccccc3)(c3ccccc3)O2)cc1	ZINC000072129327	562726422	/nfs/dbraw/zinc/72/64/22/562726422.db2.gz	WCBUJZDKOIBWSC-VAWYXSNFSA-N	-1	3	656.764	6.553	1	30		KKEFHM
C[S@@](=O)c1ccc([C@@H]2C=C(CC(=O)N[C@@H](CCCCCC(=O)N[O-])C(=O)Nc3cccc4cccnc43)c3cc(F)ccc32)cc1	ZINC000072150247	562730077	/nfs/dbraw/zinc/73/00/77/562730077.db2.gz	GIBUWOSZIMMLTO-ZJDOFQJMSA-N	-1	3	642.753	5.610	1	30		KKEFHM
[N-]=[N+]=NCc1cc(N=[N+]=[N-])cc(C(=O)Nc2ccc(Cn3cc(NC(=O)CCCCCCC(=O)N[O-])cn3)cc2)c1	ZINC000073165227	562734384	/nfs/dbraw/zinc/73/43/84/562734384.db2.gz	PNUBCQKQJHDDEQ-UHFFFAOYSA-N	-1	3	559.591	5.720	1	30		KKEFHM
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C/C=C/[C@]([O-])(C(C)(F)F)C(F)(F)F)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1F	ZINC000084633941	562745801	/nfs/dbraw/zinc/74/58/01/562745801.db2.gz	ALXSXXXETIDKKV-NIVGJZOMSA-N	-1	3	606.732	8.557	1	30		KKEFHM
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C/C=C/[C@@]([O-])(C(C)(F)F)C(F)(F)F)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1F	ZINC000084633939	562745844	/nfs/dbraw/zinc/74/58/44/562745844.db2.gz	ALXSXXXETIDKKV-XIDQWODCSA-N	-1	3	606.732	8.557	1	30		KKEFHM
O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc([C@@]([O-])(C#Cc2ccc(F)cc2)C(F)(F)F)cc1	ZINC000084688080	562749078	/nfs/dbraw/zinc/74/90/78/562749078.db2.gz	YLVSOZLTAZECTH-QFIPXVFZSA-N	-1	3	531.449	5.385	1	30		KKEFHM
CC(C)(C)S(=O)(=O)[N-]C(=O)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1	ZINC000084688320	562749192	/nfs/dbraw/zinc/74/91/92/562749192.db2.gz	NUSBLIRHXNUBGL-UHFFFAOYSA-N	-1	3	526.102	5.762	1	30		KKEFHM
CS(=O)(=O)c1ccc(C#C[C@]([O-])(c2ccc(N(CCC(F)(F)F)S(=O)(=O)c3ccccc3)cc2)C(F)(F)F)cc1	ZINC000084690268	562749558	/nfs/dbraw/zinc/74/95/58/562749558.db2.gz	ABXFBIHMTMSADH-DEOSSOPVSA-N	-1	3	605.578	5.039	1	30		KKEFHM
CCCCc1ccc(C#C[C@@]([O-])(c2ccc(N(CC(C)C)S(=O)(=O)c3ccccc3)cc2)C(F)(F)F)cc1	ZINC000084709565	562750390	/nfs/dbraw/zinc/75/03/90/562750390.db2.gz	XKVLTCFSICEGEB-GDLZYMKVSA-N	-1	3	543.651	6.682	1	30		KKEFHM
Cc1ccc(C#C[C@]([O-])(c2ccc(N(CC(C)C)S(=O)(=O)c3ccccc3)cc2)C(F)(F)F)cc1	ZINC000084709563	562750405	/nfs/dbraw/zinc/75/04/05/562750405.db2.gz	HOKWHENHZPOIMO-SANMLTNESA-N	-1	3	501.570	5.648	1	30		KKEFHM
CC(C)CN(c1ccc([C@]([O-])(C#Cc2ccc(F)cc2F)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1	ZINC000084710437	562750514	/nfs/dbraw/zinc/75/05/14/562750514.db2.gz	YDKXCKPEVZQWEP-RUZDIDTESA-N	-1	3	523.523	5.618	1	30		KKEFHM
O=C([N-]S(=O)(=O)CC12CC3CC(CC(C3)C1)C2)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1	ZINC000084733157	562751848	/nfs/dbraw/zinc/75/18/48/562751848.db2.gz	YGEUSWWHVWXMGH-UHFFFAOYSA-N	-1	3	618.243	7.180	1	30		KKEFHM
COc1cc(OC)c(/C=C/C(=O)C(=Cc2cc(OC)c([O-])c(OC)c2)C(=O)/C=C/c2c(OC)cc(OC)cc2OC)c(OC)c1	ZINC000084759177	562752824	/nfs/dbraw/zinc/75/28/24/562752824.db2.gz	RCHNDMNQXMGQIY-WGDLNXRISA-N	-1	3	620.651	5.409	1	30		KKEFHM
COc1cc2c(cc1C)C(=O)C=C1C2=C(C2=Cc3c4cc(OC)c(C)cc4c([O-])cc3C(C)(C)C2=O)C(=O)C1(C)C	ZINC000095554085	562761155	/nfs/dbraw/zinc/76/11/55/562761155.db2.gz	XSOKETBFFFHUKC-UHFFFAOYSA-N	-1	3	548.635	6.609	1	30		KKEFHM
[NH3+][C@@H](Cc1ccc(C(=O)[O-])cc1)[C@H]([S-])C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1cc2ccccc2s1)C(=O)NCc1ccccc1	ZINC000095614779	562786873	/nfs/dbraw/zinc/78/68/73/562786873.db2.gz	TVDLFOSZDRJJHY-UNOODAFMSA-N	-1	3	770.977	6.206	1	30		KKEFHM
C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Oc1cc(Cl)c([O-])c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2	ZINC000096284100	562795058	/nfs/dbraw/zinc/79/50/58/562795058.db2.gz	JQJZNCUOABLNTK-GGBXHWPASA-N	-1	3	665.135	5.828	1	30		KKEFHM
C[C@H]([N-]S(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCC2)nc1)C(F)(F)F	ZINC000096907026	562798972	/nfs/dbraw/zinc/79/89/72/562798972.db2.gz	LUWPLFKJUGRHAB-LBPRGKRZSA-N	-1	3	514.476	5.130	1	30		KKEFHM
C[C@@H]([N-]S(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCC2)nc1)C(F)(F)F	ZINC000096907025	562798995	/nfs/dbraw/zinc/79/89/95/562798995.db2.gz	LUWPLFKJUGRHAB-GFCCVEGCSA-N	-1	3	514.476	5.130	1	30		KKEFHM
COc1cc(/C=C/C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2[O-])C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O	ZINC000096907932	562799269	/nfs/dbraw/zinc/79/92/69/562799269.db2.gz	ILVUZDDEFMVFAO-UNZYHPAISA-N	-1	3	614.654	6.622	1	30		KKEFHM
CC1CCN(S(=O)(=O)c2cc(C(=O)[N-]c3sc4c(c3C#N)CCCC4)c(Cl)cc2Cl)CC1	ZINC000096914385	562800759	/nfs/dbraw/zinc/80/07/59/562800759.db2.gz	RIXZEGVFFWJEIA-UHFFFAOYSA-N	-1	3	512.484	5.478	1	30		KKEFHM
CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\[O-])C[C@@H]12)c1cccc(F)c1	ZINC000096935424	562804097	/nfs/dbraw/zinc/80/40/97/562804097.db2.gz	LTOLFFPTWQMBME-SSXXBGJTSA-N	-1	3	631.751	7.551	1	30		KKEFHM
CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\[O-])C[C@@H]12)c1cccc2ccccc21	ZINC000096935436	562804131	/nfs/dbraw/zinc/80/41/31/562804131.db2.gz	AZTJNSCICDFAFA-RIPYVVPDSA-N	-1	3	663.821	8.565	1	30		KKEFHM
COC(c1ccc(C(=O)NCCCCCCC(=O)N[O-])cc1)(c1ccc(F)cc1F)c1ccc(F)cc1F	ZINC000118363773	562830262	/nfs/dbraw/zinc/83/02/62/562830262.db2.gz	CTYDTYDAFZRHDG-UHFFFAOYSA-N	-1	3	532.534	5.367	1	30		KKEFHM
O=C(N=C([O-])N(SN(C(=O)NC(=O)c1ccccc1Cl)c1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1)c1c(F)cccc1F	ZINC000150584235	562845696	/nfs/dbraw/zinc/84/56/96/562845696.db2.gz	XKHSZCPYZXYHRS-UHFFFAOYSA-N	-1	3	748.992	8.392	1	30		KKEFHM
O=C([N-]C(=O)N(SN(C(=O)NC(=O)c1ccccc1Cl)c1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1)c1c(F)cccc1F	ZINC000150584235	562845697	/nfs/dbraw/zinc/84/56/97/562845697.db2.gz	XKHSZCPYZXYHRS-UHFFFAOYSA-N	-1	3	748.992	8.392	1	30		KKEFHM
C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)c(Cl)c1)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000201511488	562873502	/nfs/dbraw/zinc/87/35/02/562873502.db2.gz	LOAUOKWVGGODSI-ODTCIBSJSA-N	-1	3	578.153	6.250	1	30		KKEFHM
C[C@@]1(c2ccc(-c3ccc(/C(N)=N\O)cc3)cc2)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\[O-])cc2)O1	ZINC000299833622	562886202	/nfs/dbraw/zinc/88/62/02/562886202.db2.gz	HWEPTUTWXQFEIW-HKBQPEDESA-N	-1	3	586.645	5.160	1	30		KKEFHM
C[C@@]1(c2ccc(-c3ccncc3)cc2)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\[O-])cc2)O1	ZINC000299837088	562887415	/nfs/dbraw/zinc/88/74/15/562887415.db2.gz	PKOVPIWRLKGJEP-LJAQVGFWSA-N	-1	3	529.593	5.460	1	30		KKEFHM
C[C@]1(c2ccc(-c3cccc(/C(N)=N\O)c3)cc2)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\[O-])cc2)O1	ZINC000299838820	562887982	/nfs/dbraw/zinc/88/79/82/562887982.db2.gz	WBNJXCYKRJQORV-WJOKGBTCSA-N	-1	3	586.645	5.160	1	30		KKEFHM
C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2cccc(C(F)(F)F)c2)=C(c2ccc(/C(N)=N\[O-])cc2)O1	ZINC000299839319	562888181	/nfs/dbraw/zinc/88/81/81/562888181.db2.gz	XSRDMLYGKAHUOH-RUZDIDTESA-N	-1	3	516.541	5.364	1	30		KKEFHM
C[C@]1(c2ccc(-c3ccco3)cc2)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\[O-])cc2)O1	ZINC000299839377	562888201	/nfs/dbraw/zinc/88/82/01/562888201.db2.gz	YFABPHRLLUWPAN-MUUNZHRXSA-N	-1	3	518.566	5.658	1	30		KKEFHM
[O-]C(C1=C(N=NC2CCC[C@@H]2C(O)(C(F)(F)Cl)C(F)(F)Cl)CCC1)(C(F)(F)Cl)C(F)(F)Cl	ZINC000299844270	562889244	/nfs/dbraw/zinc/88/92/44/562889244.db2.gz	FAYSHFCADZNKIX-CSSRFCRYSA-N	-1	3	562.112	6.172	1	30		KKEFHM
Cc1ccsc1C(=CCCN1CCN(CCON=C(c2ccccc2)c2ccccc2)C[C@@H](C(=O)[O-])C1)c1sccc1C	ZINC000299860002	562892871	/nfs/dbraw/zinc/89/28/71/562892871.db2.gz	GGISDZXAUGEXSU-PMERELPUSA-N	-1	3	613.849	7.036	1	30		KKEFHM
CCCCOC(=O)OCOP(=O)(OCOC(=O)OCCCC)[C@@H](CCC(=O)N(C)[O-])c1ccc(F)c(F)c1	ZINC000299864372	562894104	/nfs/dbraw/zinc/89/41/04/562894104.db2.gz	MIJLEQHJJVBOHK-FQEVSTJZSA-N	-1	3	569.491	5.682	1	30		KKEFHM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C3C4=C(CC(C)(C)CC4=O)N(c4ccc(S(N)(=O)=O)cc4)C4=C3C(=O)CC(C)(C)C4)cc2)cc1	ZINC000473114688	562898932	/nfs/dbraw/zinc/89/89/32/562898932.db2.gz	OVBJXRKEFCLDPO-UHFFFAOYSA-N	-1	3	673.857	6.333	1	30		KKEFHM
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C(=O)N[O-])CC[C@]23C)C1(C)C	ZINC000653771391	562911771	/nfs/dbraw/zinc/91/17/71/562911771.db2.gz	MFXQCOFKAFDYKQ-DFHVBEEKSA-N	-1	3	513.763	7.225	1	30		KKEFHM
C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc2c(c1)Cc1ccccc1-2)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000653830197	562914515	/nfs/dbraw/zinc/91/45/15/562914515.db2.gz	FLMHRETZLINTLJ-NKEDMJSUSA-N	-1	3	555.719	5.501	1	30		KKEFHM
CCc1cc(CCC[C@H](CC(=O)N[O-])C(=O)N[C@@H](C(=O)N[C@H](C)c2ccccc2)C(C)(C)C)ccc1-c1ccccc1	ZINC000653835439	562914679	/nfs/dbraw/zinc/91/46/79/562914679.db2.gz	FCZUABNOVRUEJK-UIMUBZIISA-N	-1	3	571.762	6.159	1	30		KKEFHM
CCC[C@H](CO)[C@@H]1C[C@H]2C(=O)C=C([O-])CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3)C#C[C@@H]2C[C@@H](Cc2ccnc(NCCCO)c2)C1	ZINC000085631399	565164560	/nfs/dbraw/zinc/16/45/60/565164560.db2.gz	CBHQGQPKMGUJHJ-OTTIEYJRSA-N	-1	3	680.886	6.500	1	30	biogenic,in-vitro	KKEFHM
CCC[C@H](CO)[C@@H]1C[C@H]2C([O-])=CC(=O)CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3)C#C[C@@H]2C[C@@H](Cc2ccnc(NCCCO)c2)C1	ZINC000085631399	565164562	/nfs/dbraw/zinc/16/45/62/565164562.db2.gz	CBHQGQPKMGUJHJ-OTTIEYJRSA-N	-1	3	680.886	6.500	1	30	biogenic,in-vitro	KKEFHM
CCCC[C@@H]1C[C@@H](Cc2ccnc(N)c2)C[C@H]2C#C[C@H](c3ccccc3CCC(C)C)c3cc(O)c(OC)cc3CCC([O-])=C(O)C(=O)[C@H]2C1	ZINC000085631408	565164674	/nfs/dbraw/zinc/16/46/74/565164674.db2.gz	SCHDZXQVLNJUJM-PZKCWLMOSA-N	-1	3	678.914	7.629	1	30	biogenic,in-vitro	KKEFHM
CCCC[C@@H]1C[C@@H](Cc2ccnc(N)c2)C[C@H]2C#C[C@H](c3ccccc3CCC(C)C)c3cc(O)c(OC)cc3CCC(=O)C(O)=C([O-])[C@H]2C1	ZINC000085631408	565164676	/nfs/dbraw/zinc/16/46/76/565164676.db2.gz	SCHDZXQVLNJUJM-PZKCWLMOSA-N	-1	3	678.914	7.629	1	30	biogenic,in-vitro	KKEFHM
CCCCCCCCCCCCCCCC(=O)O[C@]12C=C[C@H]3CC(C)(C)C[C@@H]3[C@@]1(C)C[C@@H]2OC(=O)c1c(C)cc([O-])cc1O	ZINC000100782692	571838106	/nfs/dbraw/zinc/83/81/06/571838106.db2.gz	SFZLJVNEGHGCDQ-MUXSEFLPSA-N	-1	3	610.876	9.727	1	30	endogenous,in-man	KKEFHM
CC(C)CC/C=C1/C[C@@H](c2cc(CO)cc(NC[C@H](C)O)c2)C#C[C@H]2CC(=O)Oc3cc([O-])c(cc32)C[C@H]([C@@](C)(O)C2CCC(=O)CC2)OC1=O	ZINC000085571719	291912116	/nfs/dbraw/zinc/91/21/16/291912116.db2.gz	XIDFIBFIHFVOTO-SBIKCYHMSA-N	-1	3	701.857	5.588	1	30	biogenic,in-vitro	KKEFHM
CC[C@H]1CC[C@@H]2[C@H]3CCC(=O)[C@H]2Cc2cccc(c2)CCC=C2C[C@H](c4cc(CO)cc(NC[C@H](C)O)c4)C#C[C@@H]4CC(=O)Oc5cc([O-])c(cc54)C[C@@H](OC2=O)[C@@]31O	ZINC000150344525	519089655	/nfs/dbraw/zinc/08/96/55/519089655.db2.gz	JVKRINJIYAKQRD-MIARDBGSSA-N	-1	3	801.977	6.593	1	30	biogenic,in-vitro	KKEFHM
CC(C)CN([C@@H](CCSCc1ccccc1)C(=O)N[O-])S(=O)(=O)c1ccc(-c2ccccc2)cc1	ZINC000003820612	561683320	/nfs/dbraw/zinc/68/33/20/561683320.db2.gz	MVTUAPMXVXQWFM-SANMLTNESA-N	-1	3	512.697	5.198	1	30		KKEFHM
C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)c(Cl)c1)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000003923779	561686211	/nfs/dbraw/zinc/68/62/11/561686211.db2.gz	LOAUOKWVGGODSI-BCAKYAHRSA-N	-1	3	578.153	6.250	1	30		KKEFHM
O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc([C@@]([O-])(C#Cc2ccccc2)C(F)(F)F)cc1	ZINC000014976884	561752306	/nfs/dbraw/zinc/75/23/06/561752306.db2.gz	SAKKPZOSAFYJBK-QFIPXVFZSA-N	-1	3	513.459	5.246	1	30		KKEFHM
CCCCC/C=C/C/C=C/C/C=C/CCCCC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc([O-])c2C1=O	ZINC000025997070	561765179	/nfs/dbraw/zinc/76/51/79/561765179.db2.gz	YTUKKDBIYWXAAW-IAJOTDISSA-N	-1	3	548.720	8.261	1	30		KKEFHM
CCCCC/C=C/C/C=C/C/C=C/CCCCC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c([O-])ccc(O)c2C1=O	ZINC000025997070	561765180	/nfs/dbraw/zinc/76/51/80/561765180.db2.gz	YTUKKDBIYWXAAW-IAJOTDISSA-N	-1	3	548.720	8.261	1	30		KKEFHM
O=C(CN(Cc1ccccc1)C(=O)CN(CC1CCCCC1)C(=O)Nc1ccc(Oc2ccccc2)cc1)N[O-]	ZINC000026718974	561814804	/nfs/dbraw/zinc/81/48/04/561814804.db2.gz	JJAIMBOXMQASFF-UHFFFAOYSA-N	-1	3	544.652	5.427	1	30		KKEFHM
CC[C@H](c1ccccc1)[C@H](c1ccc(O)cc1)c1ccc(OCCN(C)CCO/N=C/c2ccc([O-])c(C(N)=O)c2)cc1	ZINC000028225241	561907947	/nfs/dbraw/zinc/90/79/47/561907947.db2.gz	MHOBLDMCIRQQBQ-ZZPXFYEVSA-N	-1	3	581.713	5.884	1	30		KKEFHM
COc1cc(CN(C)C)ccc1-c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(NCCSc3ccccc3)c([N+](=O)[O-])c2)cc1	ZINC000028568909	561937523	/nfs/dbraw/zinc/93/75/23/561937523.db2.gz	ZOEQZRDHXXEEAC-UHFFFAOYSA-N	-1	3	620.753	6.230	1	30		KKEFHM
COc1cccc(CO[C@@H](CCCCCC(=O)N[O-])C(=O)N(Cc2cccc(OC)c2)c2ccccc2)c1	ZINC000028956712	561983204	/nfs/dbraw/zinc/98/32/04/561983204.db2.gz	GQYGFAUYQDPLCF-NDEPHWFRSA-N	-1	3	520.626	5.278	1	30		KKEFHM
CC(C)=CCC[C@]1(C)C=Cc2c([O-])c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(N)=O)C4=O)C3=O	ZINC000029048718	561993675	/nfs/dbraw/zinc/99/36/75/561993675.db2.gz	NFVXKLYWFCNBCO-RRZNCOCZSA-N	-1	3	627.778	6.640	1	30		KKEFHM
O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N[O-]	ZINC000034801795	562041501	/nfs/dbraw/zinc/04/15/01/562041501.db2.gz	GHHVNOZFZMDYFQ-UHFFFAOYSA-N	-1	3	707.315	5.199	1	30		KKEFHM
O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)[N-]S(=O)(=O)C(F)(F)F	ZINC000034804336	562043195	/nfs/dbraw/zinc/04/31/95/562043195.db2.gz	PEGBWCNPSOYCQX-QFIPXVFZSA-N	-1	3	643.572	5.599	1	30		KKEFHM
CCCCCCCCCCCCCCCCCCN1CCN(Cc2ccc(-c3nc(=O)o[n-]3)cc2)CC1	ZINC000036176046	562049186	/nfs/dbraw/zinc/04/91/86/562049186.db2.gz	ORLPULOZISVXAZ-UHFFFAOYSA-N	-1	3	512.783	7.821	1	30		KKEFHM
CCCCCCCCCCC#C[C@@H](N)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)[O-])c1	ZINC000036178619	562049799	/nfs/dbraw/zinc/04/97/99/562049799.db2.gz	UFBLKYIDZFRLPR-MGBGTMOVSA-N	-1	3	607.882	9.464	1	30		KKEFHM
CC1=C(CCCCCC(=O)NCCC[NH2+]CCCNC(=O)CCCCCC2=C(C)C(=O)c3cccc([O-])c3C2=O)C(=O)c2c([O-])cccc2C1=O	ZINC000037858541	562062034	/nfs/dbraw/zinc/06/20/34/562062034.db2.gz	OASOGXTYMQCQFH-UHFFFAOYSA-N	-1	3	699.845	5.692	1	30		KKEFHM
CN1C(=O)[C@]2(C[C@@H]2C(=O)N[O-])C[C@@H]1c1ccc(OCc2cc(-c3ccccc3)nc3ccccc23)c(F)c1	ZINC000040394200	562074156	/nfs/dbraw/zinc/07/41/56/562074156.db2.gz	NIMFDLGXDWOYBK-BCAKYAHRSA-N	-1	3	511.553	5.035	1	30		KKEFHM
Cc1cc(OCc2ccccc2)ccc1[C@H]1C2C(=O)CC(C)(C)CC2=Nc2c([O-])cccc2N1C(=O)C(C)C	ZINC000040891507	562082578	/nfs/dbraw/zinc/08/25/78/562082578.db2.gz	FORLUKULGRWJEG-HKBQPEDESA-N	-1	3	524.661	7.079	1	30		KKEFHM
CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)C(C/C=C(\C)CO)=C([O-])[C@@]1(C(=O)C(C)C)C2=O	ZINC000100042405	560053668	/nfs/dbraw/zinc/05/36/68/560053668.db2.gz	URCNCZBUMBTRPQ-PMHPTOEESA-N	-1	3	552.796	7.962	1	30	biogenic,in-vitro	KKEFHM
CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C(=O)C(C/C=C(\C)CO)=C2[O-]	ZINC000100042405	560053670	/nfs/dbraw/zinc/05/36/70/560053670.db2.gz	URCNCZBUMBTRPQ-PMHPTOEESA-N	-1	3	552.796	7.962	1	30	biogenic,in-vitro	KKEFHM
CSc1ncc([C@@H]2C(C(=O)Cc3cccnc3)=C(C)NC(C)=C2C([O-])=Cc2ccccn2)n1Cc1ccccc1	ZINC000043078481	562645759	/nfs/dbraw/zinc/64/57/59/562645759.db2.gz	FXOMOSJNUXSTSU-WJOKGBTCSA-N	-1	3	549.700	5.302	1	30		KKEFHM
CCCCCCCCCCCC(=O)O[C@@H](CC)c1nc2c(cccc2C(F)(F)F)c([O-])c1C(=O)Nc1nccs1	ZINC000043938702	562651240	/nfs/dbraw/zinc/65/12/40/562651240.db2.gz	DAKDECDDNHHPAG-NRFANRHFSA-N	-1	3	579.685	8.583	1	30		KKEFHM
CCC[C@H](C(=O)N[O-])[C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(-c3ccc(Cl)cc3Cl)c2)C1=O	ZINC000044053397	562652003	/nfs/dbraw/zinc/65/20/03/562652003.db2.gz	YVXQLQWYRDXPDY-WEWMWRJBSA-N	-1	3	576.565	6.242	1	30		KKEFHM
Cc1nc(C(=O)N2c3cccc([O-])c3N=C3CC(C)(C)CC(=O)C3[C@H]2c2ccc(OCc3ccccc3)cc2F)cs1	ZINC000044404543	562656478	/nfs/dbraw/zinc/65/64/78/562656478.db2.gz	GYIGAWCRGDXXOJ-WJOKGBTCSA-N	-1	3	583.685	7.332	1	30		KKEFHM
C[C@@H](N=C(Nc1ccc(-c2ccccc2)cc1)Nc1ccc(C#N)cc1[O-])c1ccc(Br)cc1	ZINC000045324863	562661231	/nfs/dbraw/zinc/66/12/31/562661231.db2.gz	DBENLDMVFRWKLW-LJQANCHMSA-N	-1	3	511.423	7.335	1	30		KKEFHM
CCCCCCCCCCCC(=O)Oc1cc([O-])c2c(c1)O[C@H](c1ccc3c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@H](CO)O3)[C@@H](O)C2=O	ZINC000049682991	562669256	/nfs/dbraw/zinc/66/92/56/562669256.db2.gz	JWORRUYJWRDLNJ-LHMSPWTKSA-N	-1	3	664.748	6.483	1	30		KKEFHM
CSC(C)=NOC(=O)N(C)SN(C(=O)[N-]C(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1	ZINC000060178879	562702602	/nfs/dbraw/zinc/70/26/02/562702602.db2.gz	NQXRIKSNHWFKBR-BHGWPJFGSA-N	-1	3	535.862	6.331	1	30		KKEFHM
CCCCCCCCCCCCCCCC(=O)Oc1cc([O-])c2c(c1)O[C@H](c1ccc3c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@H](CO)O3)[C@@H](O)C2=O	ZINC000049780478	562681774	/nfs/dbraw/zinc/68/17/74/562681774.db2.gz	WPMFGQMFMQCEOY-ICUNSYRRSA-N	-1	3	720.856	8.044	1	30		KKEFHM
COC(=O)/C(C)=C\C[C@@]12OC(C)(C)[C@@H]3C[C@@H](C=C4C(=O)c5c([O-])c([C@H]6C[C@](C)(OC)CCC6=C(C)C)c6c(c5O[C@]431)CCC(C)(C)O6)C2=O	ZINC000049793271	562684665	/nfs/dbraw/zinc/68/46/65/562684665.db2.gz	GBQLXOPZKHBGOY-ZWWSWXAASA-N	-1	3	674.831	7.021	1	30		KKEFHM
N#Cc1c([N-]C(=O)c2ccco2)nc(-c2ccc(F)cc2[O-])cc1-c1cccc(NC(=O)C[C@H]2CCC[NH2+]2)c1	ZINC000053294655	562697276	/nfs/dbraw/zinc/69/72/76/562697276.db2.gz	RSYNYLIYCFUNTG-LJQANCHMSA-N	-1	3	525.540	5.058	1	30		KKEFHM
CSC(C)=NOC(=O)N(C)SN(C([O-])=NC(=O)c1c(F)cccc1F)c1ccc(Cl)c(C(F)(F)F)c1	ZINC000060178875	562702554	/nfs/dbraw/zinc/70/25/54/562702554.db2.gz	YQVCBZHMMPGFCN-ORBVJSQLSA-N	-1	3	570.949	6.321	1	30		KKEFHM
CSC(C)=NOC(=O)N(C)SN(C(=O)[N-]C(=O)c1c(F)cccc1F)c1ccc(Cl)c(C(F)(F)F)c1	ZINC000060178875	562702555	/nfs/dbraw/zinc/70/25/55/562702555.db2.gz	YQVCBZHMMPGFCN-ORBVJSQLSA-N	-1	3	570.949	6.321	1	30		KKEFHM
CSC(C)=NOC(=O)N(C)SN(C([O-])=NC(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1	ZINC000060178879	562702601	/nfs/dbraw/zinc/70/26/01/562702601.db2.gz	NQXRIKSNHWFKBR-BHGWPJFGSA-N	-1	3	535.862	6.331	1	30		KKEFHM
C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(Nc3ccccc3/C(N)=N/O)cc2)=C(c2ccc(/C(N)=N/[O-])cc2)O1	ZINC000064379396	562704919	/nfs/dbraw/zinc/70/49/19/562704919.db2.gz	VUWXQIOACIZMKL-JGCGQSQUSA-N	-1	3	597.697	5.183	1	30		KKEFHM
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@@](C)(C(=O)N([O-])C(C)(C)C)CC[C@]4(C)CC[C@]23C)C1(C)C	ZINC000064527789	562707171	/nfs/dbraw/zinc/70/71/71/562707171.db2.gz	WBCQZBVVXYSKCT-YEXYTOCPSA-N	-1	3	583.854	7.915	1	30		KKEFHM
N#Cc1cc(Cl)cc(Oc2cc(OCc3[nH]nc(-c4ccc(-c5nnn[n-]5)cc4)c3Cl)ccc2Cl)c1	ZINC000072109328	562721576	/nfs/dbraw/zinc/72/15/76/562721576.db2.gz	JWDAEHXXNUMMKQ-UHFFFAOYSA-N	-1	3	538.782	6.460	1	30		KKEFHM
N#Cc1cc(Cl)cc(Oc2cc(OCc3[nH]nc(-c4ccc(-c5nn[n-]n5)cc4)c3Cl)ccc2Cl)c1	ZINC000072109328	562721577	/nfs/dbraw/zinc/72/15/77/562721577.db2.gz	JWDAEHXXNUMMKQ-UHFFFAOYSA-N	-1	3	538.782	6.460	1	30		KKEFHM
C/C(=N/[N-]c1nc(-c2cc3ccccc3oc2=O)cs1)c1cc2cc(Br)ccc2oc1=O	ZINC000072114426	562722715	/nfs/dbraw/zinc/72/27/15/562722715.db2.gz	GYAOPTSWHHBHEJ-ZRGSRPPYSA-N	-1	3	508.353	5.622	1	30		KKEFHM
CC(C)CN(c1ccc([C@]([O-])(C#Cc2cccc(C(F)(F)F)c2)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1	ZINC000084687794	562749035	/nfs/dbraw/zinc/74/90/35/562749035.db2.gz	IPVOYRALYXDGRZ-RUZDIDTESA-N	-1	3	555.540	6.358	1	30		KKEFHM
CCCCCCCCCC[N+](C)(C)CCCCOc1cc([O-])c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O	ZINC000095560840	562763199	/nfs/dbraw/zinc/76/31/99/562763199.db2.gz	SZRXDGRKOMGOSM-UHFFFAOYSA-O	-1	3	510.695	6.558	1	30		KKEFHM
N#Cc1cc(S(=O)(=O)[N-]c2ncns2)ccc1Oc1ccc(C(F)(F)F)cc1-c1cccc(CN2CCC2)c1	ZINC000095584946	562773453	/nfs/dbraw/zinc/77/34/53/562773453.db2.gz	SRCBNMNRTFOZDE-UHFFFAOYSA-N	-1	3	571.606	5.894	1	30		KKEFHM
CCC[C@@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-]	ZINC000095588023	562774509	/nfs/dbraw/zinc/77/45/09/562774509.db2.gz	MIOWSYXKBKEWOH-UMSFTDKQSA-N	-1	3	784.404	9.304	1	30		KKEFHM
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1S(C)(=O)=O	ZINC000096302140	562796300	/nfs/dbraw/zinc/79/63/00/562796300.db2.gz	XUWHUZSSFRJMRF-PSXMRANNSA-N	-1	3	846.541	7.951	1	30		KKEFHM
N#Cc1c([N-]C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)sc2c1CCN(CC1CCCCC1)C2	ZINC000096913670	562800334	/nfs/dbraw/zinc/80/03/34/562800334.db2.gz	GXJRZHPIKCATRC-UHFFFAOYSA-N	-1	3	597.590	5.138	1	30		KKEFHM
COc1ccc([C@@H]2CCc3c(C#N)c([N-]C(=O)c4cc(S(=O)(=O)N5CCOCC5)c(Cl)cc4Cl)sc3C2)cc1	ZINC000096913663	562800378	/nfs/dbraw/zinc/80/03/78/562800378.db2.gz	KRQUESDBUMJYRZ-QGZVFWFLSA-N	-1	3	606.553	5.481	1	30		KKEFHM
CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\[O-])C[C@@H]12)c1cccc(C)c1	ZINC000096932708	562803512	/nfs/dbraw/zinc/80/35/12/562803512.db2.gz	YEHUZYGWFHPHCO-JUKOORMISA-N	-1	3	627.788	7.720	1	30		KKEFHM
CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\[O-])C[C@@H]12)c1ccc(OC)cc1	ZINC000096932701	562803535	/nfs/dbraw/zinc/80/35/35/562803535.db2.gz	RIUINLHDOIASQE-OUBNOZQMSA-N	-1	3	643.787	7.420	1	30		KKEFHM
CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\[O-])C[C@@H]12)c1ccc(Cl)cc1	ZINC000096935425	562804115	/nfs/dbraw/zinc/80/41/15/562804115.db2.gz	NDFBULHECCNIRC-RPNNYWJASA-N	-1	3	648.206	8.065	1	30		KKEFHM
CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\[O-])C[C@@H]12)c1cccc(Br)c1	ZINC000096935434	562804124	/nfs/dbraw/zinc/80/41/24/562804124.db2.gz	SIOSHRGOYBEAIB-SSXXBGJTSA-N	-1	3	692.657	8.174	1	30		KKEFHM
C=CC(C)(C)c1[nH]c2ccccc2c1C1=C([O-])C(=O)C(c2c[nH]c3c2cccc3CC=C(C)C)=C(N)C1=O	ZINC000100767167	562807835	/nfs/dbraw/zinc/80/78/35/562807835.db2.gz	OIKSXIVBIQFTSD-UHFFFAOYSA-N	-1	3	505.618	6.412	1	30		KKEFHM
O=C(C=Cc1ccccc1)C(=C([O-])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1OC(=O)c2ccccc21	ZINC000102944639	562813687	/nfs/dbraw/zinc/81/36/87/562813687.db2.gz	OELAZIOOJNXHDH-RWMTUNIVSA-N	-1	3	527.882	5.677	1	30		KKEFHM
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C(=C([O-])C=Cc1ccccc1)[C@@H]1OC(=O)c2ccccc21	ZINC000102944639	562813688	/nfs/dbraw/zinc/81/36/88/562813688.db2.gz	OELAZIOOJNXHDH-RWMTUNIVSA-N	-1	3	527.882	5.677	1	30		KKEFHM
CCCCCCCC/C=C\CCCCCCCC(=O)OC1=C([O-])c2ccccc2C(=O)C1=CC=C(C)C	ZINC000103236157	562818845	/nfs/dbraw/zinc/81/88/45/562818845.db2.gz	GBGUSJRLNORKTG-QXMHVHEDSA-N	-1	3	506.727	9.257	1	30		KKEFHM
COC(c1ccc(C(=O)NCCCCCCC(=O)N[O-])cc1)(c1ccc(F)cc1C)c1ccc(F)cc1C	ZINC000118145832	562830216	/nfs/dbraw/zinc/83/02/16/562830216.db2.gz	HOZJFPBDJRYGNP-UHFFFAOYSA-N	-1	3	524.608	5.706	1	30		KKEFHM
COC(c1ccc(C(=O)N(C)CCCCCCC(=O)N[O-])cc1)(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1	ZINC000118355315	562830267	/nfs/dbraw/zinc/83/02/67/562830267.db2.gz	VOKBKLDMAUNMAG-UHFFFAOYSA-N	-1	3	546.561	5.709	1	30		KKEFHM
N#Cc1ccc(Oc2cc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)ccc2C(=O)[N-]S(=O)(=O)c2ccc(NCC3CCOCC3)c([N+](=O)[O-])c2)cc1	ZINC000165223654	562849881	/nfs/dbraw/zinc/84/98/81/562849881.db2.gz	OGNYCHOYJFWHQX-UHFFFAOYSA-N	-1	3	821.356	7.859	1	30		KKEFHM
C=C1CCC[C@@H]2Nc3ccc(Br)cc3[C@]12CC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000169346926	562861866	/nfs/dbraw/zinc/86/18/66/562861866.db2.gz	XIIMYGRBDYDAGK-SFTDATJTSA-N	-1	3	516.288	5.897	1	30		KKEFHM
CC(C)(C)[C@@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)cc1)CC(=O)N[O-])C(=O)NC(c1ccccc1)c1ccccc1	ZINC000213422804	562877221	/nfs/dbraw/zinc/87/72/21/562877221.db2.gz	YWZDVYPIFZUSBG-LDNVYYCDSA-N	-1	3	605.779	6.625	1	30		KKEFHM
CC(C)c1ccc2c(c1)/C(=N\[O-])C[C@H]1[C@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)Nc3ccc(Cl)cc3)CCC[C@]21C	ZINC000299825045	562883455	/nfs/dbraw/zinc/88/34/55/562883455.db2.gz	VGTNCDDFIUHYPG-LUPGWAHUSA-N	-1	3	586.176	7.476	1	30		KKEFHM
O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-n2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nn2)ccc1[O-]	ZINC000299825955	562883726	/nfs/dbraw/zinc/88/37/26/562883726.db2.gz	DEPNDBFGYSQTGT-UHFFFAOYSA-N	-1	3	560.376	6.949	1	30		KKEFHM
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@H]3[C@@](C)(NC(=O)CCCC(=O)N[O-])[C@H](O)CC[C@@]34C)[C@@H]2[C@H]1C	ZINC000299829403	562884873	/nfs/dbraw/zinc/88/48/73/562884873.db2.gz	KAZCXWCBCJXORX-LJTMPGRWSA-N	-1	3	570.815	5.728	1	30		KKEFHM
COc1ccc([C@@]2(c3ccccc3)CC(S(=O)(=O)c3ccc(F)cc3)=C(c3ccc(/C(N)=N\[O-])cc3)O2)cc1	ZINC000299839886	562888305	/nfs/dbraw/zinc/88/83/05/562888305.db2.gz	ZTUMEOKFIFZETI-PMERELPUSA-N	-1	3	544.604	5.435	1	30		KKEFHM
CCCCOC(=O)OCOP(=O)(OCOC(=O)OCCCC)[C@@H](CCC(=O)N[O-])c1ccc(F)c(F)c1	ZINC000299871275	562895706	/nfs/dbraw/zinc/89/57/06/562895706.db2.gz	YHAHWWBLUTWEFV-IBGZPJMESA-N	-1	3	555.464	5.339	1	30		KKEFHM
COc1ccc(-c2csc(/N=C/c3cc(/C=C/C(=O)c4ccc(C)cc4)cc(C(C)(C)C)c3[O-])n2)cc1	ZINC000473083311	562896798	/nfs/dbraw/zinc/89/67/98/562896798.db2.gz	BNWATOZAOXQGRU-QSNKKLNWSA-N	-1	3	510.659	7.777	1	30		KKEFHM
COc1cc2ccc3c(ccc([O-])c3C3=C(OC)C(=O)C(=O)c4c5ccc(O)cc5ccc43)c2c(OC)c1O	ZINC000653714296	562908410	/nfs/dbraw/zinc/90/84/10/562908410.db2.gz	XHTGGPUDVVNVBH-UHFFFAOYSA-N	-1	3	522.509	5.451	1	30		KKEFHM
CC(C)=CCC/C(C)=C/Cc1c([O-])c(CC=C(C)C)c2c(c1O)C(=O)C1=C[C@@H]3C[C@H]4C(C)(C)O[C@@](C/C=C(/C)C(=O)OCCN5CCN(C)CC5)(C3=O)[C@@]14O2	ZINC000653755689	562910926	/nfs/dbraw/zinc/91/09/26/562910926.db2.gz	SKWLQRYXMCNOER-BRUOGCMUSA-N	-1	3	756.981	6.975	1	30		KKEFHM
COC(=O)/C(C)=C\C[C@]12OC(C)(C)[C@H]3C[C@H](C=C4C(=O)c5c([O-])c6c(c(CC=C(C)C)c5O[C@@]431)OC(C)(C)C=C6)C2=O	ZINC000653823198	562914238	/nfs/dbraw/zinc/91/42/38/562914238.db2.gz	ZJIJKCZRMSVHRI-JAGCOKFDSA-N	-1	3	574.670	5.601	1	30		KKEFHM
COC(=O)/C(C)=C/C[C@]12OC(C)(C)[C@H]3C[C@](OC)(C=C4C(=O)c5c([O-])c(CC=C(C)C)c6c(c5O[C@@]431)C(C)(C)[C@H](C)O6)C2=O	ZINC000095915106	291957352	/nfs/dbraw/zinc/95/73/52/291957352.db2.gz	GLWVKEXUTBAGCF-BGXZQOKBSA-N	-1	3	606.712	5.245	1	30	biogenic,in-vitro	KKEFHM
CC(C)CN([C@@H](CCSCc1ccccc1)C(=O)N[O-])S(=O)(=O)c1ccc(Oc2ccccc2)cc1	ZINC000013864004	561735267	/nfs/dbraw/zinc/73/52/67/561735267.db2.gz	XOOXBIFEOHDRHE-SANMLTNESA-N	-1	3	528.696	5.323	1	30		KKEFHM
O=C(Nc1ccc(Cc2nnn[n-]2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000014089104	561736332	/nfs/dbraw/zinc/73/63/32/561736332.db2.gz	BVRHHXOKIFLASO-UHFFFAOYSA-N	-1	3	571.244	5.103	1	30		KKEFHM
O=C(Nc1ccc(Cc2nn[n-]n2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000014089104	561736333	/nfs/dbraw/zinc/73/63/33/561736333.db2.gz	BVRHHXOKIFLASO-UHFFFAOYSA-N	-1	3	571.244	5.103	1	30		KKEFHM
CC(C)=CCC1=C([O-])[C@@]2(C(=O)c3ccccc3)C(=O)[C@](CC=C(C)C)(C[C@@H](CC=C(C)C)C2(C)C)C1=O	ZINC000014660233	561739845	/nfs/dbraw/zinc/73/98/45/561739845.db2.gz	SYKFHCWMZKYPEA-BJEYHHSBSA-N	-1	3	502.695	7.921	1	30		KKEFHM
CC(C)=CCC1=C([O-])[C@@]2(CC=C(C)C)C[C@@H](CC=C(C)C)C(C)(C)[C@@](C(=O)c3ccccc3)(C1=O)C2=O	ZINC000014660233	561739846	/nfs/dbraw/zinc/73/98/46/561739846.db2.gz	SYKFHCWMZKYPEA-BJEYHHSBSA-N	-1	3	502.695	7.921	1	30		KKEFHM
CCCc1nc(-n2cccc2C(=O)C(F)(F)F)c(C#N)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1	ZINC000026378076	561782728	/nfs/dbraw/zinc/78/27/28/561782728.db2.gz	IIPXYBVMJISGRW-UHFFFAOYSA-N	-1	3	530.514	5.138	1	30		KKEFHM
CCCc1nc(-n2cccc2C(=O)C(F)(F)F)c(C#N)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1	ZINC000026378076	561782730	/nfs/dbraw/zinc/78/27/30/561782730.db2.gz	IIPXYBVMJISGRW-UHFFFAOYSA-N	-1	3	530.514	5.138	1	30		KKEFHM
C[C@@H](O[C@H]1OCCN(Cc2n[n-]nc2CN2CCC2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000027429938	561859034	/nfs/dbraw/zinc/85/90/34/561859034.db2.gz	BUZFNMDWWXZBPX-VFRFXQOFSA-N	-1	3	587.540	5.865	1	30		KKEFHM
COC(=O)N([O-])CCC#Cc1ccc(OCCCCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1	ZINC000028132682	561906020	/nfs/dbraw/zinc/90/60/20/561906020.db2.gz	QNNXKPSMUIHGIZ-UHFFFAOYSA-N	-1	3	577.672	5.730	1	30	in-vivo	KKEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](Cc2cncn2C(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)N[O-])cc1	ZINC000028238277	561910144	/nfs/dbraw/zinc/91/01/44/561910144.db2.gz	POAGMLUILSMQAH-PSXMRANNSA-N	-1	3	716.816	5.768	1	30		KKEFHM
CC(C)CCC1(CCC(C)C)c2ccccc2C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O	ZINC000028882548	561977095	/nfs/dbraw/zinc/97/70/95/561977095.db2.gz	ZKURZKGNDGLFCJ-UHFFFAOYSA-N	-1	3	573.737	5.233	1	30		KKEFHM
COC(=O)[C@H](Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)NC(=O)CCCCCCC(=O)N[O-]	ZINC000029124490	561997160	/nfs/dbraw/zinc/99/71/60/561997160.db2.gz	AZWQKXURQJBBDV-MHZLTWQESA-N	-1	3	502.611	5.067	1	30		KKEFHM
COc1ccc(S(=O)(=O)[C@H](CC(=O)N[O-])c2cccc(Oc3ccccc3)c2)cc1OC1CCCC1	ZINC000029391582	562017405	/nfs/dbraw/zinc/01/74/05/562017405.db2.gz	LZZFXVQBLDVWTK-AREMUKBSSA-N	-1	3	511.596	5.219	1	30		KKEFHM
CCCCCCCCCCC#C[C@H](N)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)[O-])c1	ZINC000036178616	562049702	/nfs/dbraw/zinc/04/97/02/562049702.db2.gz	UFBLKYIDZFRLPR-XIFFEERXSA-N	-1	3	607.882	9.464	1	30		KKEFHM
COc1cc(OC)c(-c2cc3ccccc3s2)cc1/C=C/C(=O)c1ccc(C(=O)[N-]C(=O)C(C)C)cc1	ZINC000035274952	562045140	/nfs/dbraw/zinc/04/51/40/562045140.db2.gz	JFQUVQJXYDYSEQ-BUHFOSPRSA-N	-1	3	513.615	6.394	1	30		KKEFHM
CCCCCCCCCCCCCCc1c([O-])c2c(=O)c(OC)c(OC)cc-2oc1-c1ccc(O)c(O)c1	ZINC000036222861	562051867	/nfs/dbraw/zinc/05/18/67/562051867.db2.gz	GCWQYQANVYOXCP-UHFFFAOYSA-N	-1	3	526.670	7.838	1	30		KKEFHM
CC(C)(C)C1CCC(N(Cc2ccc(C(=O)NCC(=O)N[O-])cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1	ZINC000036351412	562058326	/nfs/dbraw/zinc/05/83/26/562058326.db2.gz	QZOBKJVXBJAOSP-UHFFFAOYSA-N	-1	3	564.605	5.459	1	30		KKEFHM
CC1=C(CCCCCC(=O)NCCCC[NH2+]CCCNC(=O)CCCCCC2=C(C)C(=O)c3cccc([O-])c3C2=O)C(=O)c2c([O-])cccc2C1=O	ZINC000037858534	562062068	/nfs/dbraw/zinc/06/20/68/562062068.db2.gz	SDDHFTLKENTEQJ-UHFFFAOYSA-N	-1	3	713.872	6.082	1	30		KKEFHM
CC(C)C[C@@H]1C2=C(O[C@@H](C3=C([O-])C(C)(C)C(=O)C(C)(C)C3=O)[C@H]1C(C)C)C(C)(C)C(=O)C(C)(C)C2=O	ZINC000040934766	562084805	/nfs/dbraw/zinc/08/48/05/562084805.db2.gz	VXGYLHHZNVRJQJ-ABSDTBQOSA-N	-1	3	500.676	5.794	1	30		KKEFHM
CC1(C)CC(=O)C2C(=Nc3c([O-])cccc3N(C(=O)c3cscn3)[C@@H]2c2ccc(OCc3ccccc3)cc2F)C1	ZINC000042805273	562089002	/nfs/dbraw/zinc/08/90/02/562089002.db2.gz	KAMRNILTBNVHMB-SSEXGKCCSA-N	-1	3	569.658	7.024	1	30		KKEFHM
CCCCCCCCCCCCCCCC(=O)Oc1cc([O-])c2c(c1)O[C@@H](c1ccc(OC)c(O)c1)CC2=O	ZINC000043300232	562647400	/nfs/dbraw/zinc/64/74/00/562647400.db2.gz	LVDKUXFHUPSGJC-GDLZYMKVSA-N	-1	3	540.697	8.200	1	30		KKEFHM
CCC[C@H](C(=O)N[O-])[C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(-c3ccc(F)c(Cl)c3)c2)C1=O	ZINC000043524172	562648944	/nfs/dbraw/zinc/64/89/44/562648944.db2.gz	ZRNQCWPTQSJCAU-XFAFFCHDSA-N	-1	3	560.110	5.727	1	30		KKEFHM
CC1(C)CC(=O)C2C(=Nc3c([O-])cccc3N(C(=O)c3ccncn3)[C@H]2c2ccc(OCc3ccccc3)cc2F)C1	ZINC000044280782	562652935	/nfs/dbraw/zinc/65/29/35/562652935.db2.gz	YNMWDXQMMUROMD-HKBQPEDESA-N	-1	3	564.617	6.357	1	30		KKEFHM
COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(=O)N[O-])c3nc(-c4ccc5ccccc5c4)c[nH]3)c2c1	ZINC000044306485	562653749	/nfs/dbraw/zinc/65/37/49/562653749.db2.gz	OFYAQDFGKZCKDM-NDEPHWFRSA-N	-1	3	553.663	5.884	1	30		KKEFHM
CC1(C)CC(=O)C2C(=Nc3c([O-])cccc3N(C(=O)c3nccs3)[C@@H]2c2ccc(OCc3ccccc3)cc2F)C1	ZINC000044306854	562653829	/nfs/dbraw/zinc/65/38/29/562653829.db2.gz	PADXTVXIXFXYEJ-GDLZYMKVSA-N	-1	3	569.658	7.024	1	30		KKEFHM
COc1cc2c(cc1OCCCN1CCOCC1)ncc(C#N)c2Nc1ccc(Sc2ccccc2[O-])cc1	ZINC000044386949	562656007	/nfs/dbraw/zinc/65/60/07/562656007.db2.gz	PUPGXJNBTFISKO-UHFFFAOYSA-N	-1	3	542.661	5.817	1	30		KKEFHM
O=C(N[O-])[C@H](Cc1cccc(Oc2ccccc2)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000049776266	562679307	/nfs/dbraw/zinc/67/93/07/562679307.db2.gz	QGXXRXNJLHZKQO-PMERELPUSA-N	-1	3	535.644	5.077	1	30		KKEFHM
CCCCCC(=O)c1c([O-])c2c(c3c1O[C@@]1(O)[C@@H]([C@@H](O)C(C)(C)C(=O)C1(C)C)[C@@H]3C(C)C)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]2CC(C)C	ZINC000049833387	562687739	/nfs/dbraw/zinc/68/77/39/562687739.db2.gz	UCPPOTQBYGVTAX-HIMOWYRFSA-N	-1	3	694.906	7.568	1	30		KKEFHM
CCCCCCC[C@@H](C(=O)NCCc1ccccc1)N(Cc1ccccc1)C(=O)CCCCCCC(=O)N[O-]	ZINC000049872319	562689951	/nfs/dbraw/zinc/68/99/51/562689951.db2.gz	LPNHYJCVJDLTDK-LJAQVGFWSA-N	-1	3	537.745	5.949	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@](C)(CC/C=C(\C)C(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049888762	562691440	/nfs/dbraw/zinc/69/14/40/562691440.db2.gz	RQRLQCQHVHFUJZ-QGLQQYJRSA-N	-1	3	681.914	8.407	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@](C)(CC/C=C(\C)C(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049888762	562691441	/nfs/dbraw/zinc/69/14/41/562691441.db2.gz	RQRLQCQHVHFUJZ-QGLQQYJRSA-N	-1	3	681.914	8.407	1	30		KKEFHM
C=C(C)[C@@H]1CC[C@]2(C)C[C@H](O)[C@]3(C)[C@H](C[C@@H](OC(=O)c4ccc([O-])c(OC)c4)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@@H]12	ZINC000049889413	562692067	/nfs/dbraw/zinc/69/20/67/562692067.db2.gz	SFWXTEAVJISKCL-SXURMERUSA-N	-1	3	608.860	7.545	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@@H](C5)CC[C@H]2[C@](C)(C=CC=C(C)C(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O	ZINC000049952353	562695813	/nfs/dbraw/zinc/69/58/13/562695813.db2.gz	UNCVXXVJJXJZII-MMVQJZLOSA-N	-1	3	679.898	8.183	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@@H](C5)CC[C@H]2[C@](C)(C=CC=C(C)C(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O	ZINC000049952353	562695814	/nfs/dbraw/zinc/69/58/14/562695814.db2.gz	UNCVXXVJJXJZII-MMVQJZLOSA-N	-1	3	679.898	8.183	1	30		KKEFHM
C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(Nc3ccccc3/C(N)=N/O)cc2)=C(c2ccc(/C(N)=N/[O-])cc2)O1	ZINC000064379394	562704911	/nfs/dbraw/zinc/70/49/11/562704911.db2.gz	VUWXQIOACIZMKL-YTTGMZPUSA-N	-1	3	597.697	5.183	1	30		KKEFHM
C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C=C/c3ccc(/C(N)=N/O)cc3)cc2)=C(c2ccc(/C(N)=N/[O-])cc2)O1	ZINC000064379462	562704913	/nfs/dbraw/zinc/70/49/13/562704913.db2.gz	FGCONEKIELJBFC-ZSKFLDLRSA-N	-1	3	608.720	5.610	1	30		KKEFHM
C[C@@H](C(=O)N[C@@H](CCCCCC(=O)N[O-])C(=O)Nc1cccc2cccnc21)c1ccc(-c2ccccc2)c(F)c1	ZINC000064549721	562708154	/nfs/dbraw/zinc/70/81/54/562708154.db2.gz	MPDYHKIAIIEYNH-PIKZIKFNSA-N	-1	3	556.638	5.724	1	30		KKEFHM
O=C(/C=C/c1ccc(Oc2ccccc2)cc1)N[C@@H](CCCCCC(=O)N[O-])C(=O)Nc1cccc2cccnc21	ZINC000064573589	562708726	/nfs/dbraw/zinc/70/87/26/562708726.db2.gz	BDLMKMIPBCIIAG-XGLNBYONSA-N	-1	3	552.631	5.620	1	30		KKEFHM
NS(=O)(=O)c1ccc(N2c3nc(-c4ccc(Br)cc4)[n-]c(=O)c3[C@@H](c3ccc(Cl)cc3Cl)C3=C2CCCC3=O)cc1	ZINC000072123695	562724879	/nfs/dbraw/zinc/72/48/79/562724879.db2.gz	PSVQAKWDLCSXQS-DEOSSOPVSA-N	-1	3	672.388	6.857	1	30		KKEFHM
C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(Br)cc2)=C(c2ccc(/C(N)=N/[O-])cc2)O1	ZINC000072170935	562730418	/nfs/dbraw/zinc/73/04/18/562730418.db2.gz	XKYJNCHQONYHOE-VWLOTQADSA-N	-1	3	527.440	5.108	1	30		KKEFHM
C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N\[O-])cc2)=C(c2ccc(Br)cc2)O1	ZINC000072170851	562730427	/nfs/dbraw/zinc/73/04/27/562730427.db2.gz	BBOXVVRLKNSHBN-VWLOTQADSA-N	-1	3	527.440	5.108	1	30		KKEFHM
CC(C)CN(c1ccc([C@@]([O-])(C#Cc2ccc(C(F)(F)F)cc2)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1	ZINC000084690737	562749715	/nfs/dbraw/zinc/74/97/15/562749715.db2.gz	FAEPYFWSINNSSR-VWLOTQADSA-N	-1	3	555.540	6.358	1	30		KKEFHM
C[C@@H](C(=O)[O-])c1ccc([C@H](c2ccc(F)cc2)N2CCC(C(F)(F)F)CC2)c(-c2ccc(C(F)(F)F)cc2)c1	ZINC000095558704	562762490	/nfs/dbraw/zinc/76/24/90/562762490.db2.gz	DAXUHCFVRMWEHX-QUGAMOGWSA-N	-1	3	553.518	8.063	1	30		KKEFHM
O=C(CCCCC[C@@H]1c2nc(Cc3ccccc3)c(o2)[C@@H](Cc2ccccc2)CCn2cc(nn2)CCCN1Cc1ccccc1)N[O-]	ZINC000095562359	562763677	/nfs/dbraw/zinc/76/36/77/562763677.db2.gz	JPFZLPCINWHUKQ-YYFXGUOYSA-N	-1	3	646.836	7.219	1	30		KKEFHM
COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3cccc(NC(=O)CCCCCCC(=O)N[O-])c3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000096286398	562796139	/nfs/dbraw/zinc/79/61/39/562796139.db2.gz	KGVOWETXUIRKOC-DKJDTLJOSA-N	-1	3	661.708	5.011	1	30		KKEFHM
COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3cccc(OCCCCCCC(=O)N[O-])c3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000096286409	562796166	/nfs/dbraw/zinc/79/61/66/562796166.db2.gz	RWMCODKVQIQYDV-YZCUKXFTSA-N	-1	3	634.682	5.061	1	30		KKEFHM
CC(=O)Oc1ccc([C@H]2CCc3c(C#N)c([N-]C(=O)c4cc(S(=O)(=O)N5CCOCC5)c(Cl)cc4Cl)sc3C2)cc1	ZINC000096913662	562800380	/nfs/dbraw/zinc/80/03/80/562800380.db2.gz	MXSGIYONYCIHTO-SFHVURJKSA-N	-1	3	634.563	5.398	1	30		KKEFHM
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[N-]c3sc4c(c3C#N)CCCC4)c(Cl)cc2Cl)C1	ZINC000096914379	562800732	/nfs/dbraw/zinc/80/07/32/562800732.db2.gz	XQBZEQSVPCNRHR-CQSZACIVSA-N	-1	3	570.520	5.021	1	30		KKEFHM
CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\[O-])C[C@@H]12)c1ccc(C)cc1	ZINC000096932705	562803504	/nfs/dbraw/zinc/80/35/04/562803504.db2.gz	UASHYGVSRHBFOJ-OUBNOZQMSA-N	-1	3	627.788	7.720	1	30		KKEFHM
CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\[O-])C[C@@H]12)c1cccc(Br)c1	ZINC000096935433	562804126	/nfs/dbraw/zinc/80/41/26/562804126.db2.gz	SIOSHRGOYBEAIB-RPNNYWJASA-N	-1	3	692.657	8.174	1	30		KKEFHM
[O-]c1ccccc1/C=N/n1c(=S)n(CN2CCN(Cc3ccccc3)CC2)nc1C12CC3CC(CC(C3)C1)C2	ZINC000096937737	562804321	/nfs/dbraw/zinc/80/43/21/562804321.db2.gz	GSFOKJACESFECC-UZWMFBFFSA-N	-1	3	542.753	5.245	1	30		KKEFHM
O=C([N-]C(=O)N(SNc1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)c1c(F)cccc1F	ZINC000103201850	562816091	/nfs/dbraw/zinc/81/60/91/562816091.db2.gz	VZZYLMVCJKYAAO-UHFFFAOYSA-N	-1	3	535.416	7.034	1	30		KKEFHM
CC[C@@H](C)C(=O)[C@]12C(=O)[C@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C(=O)C(CC=C(C)C)=C2[O-]	ZINC000104892943	562825128	/nfs/dbraw/zinc/82/51/28/562825128.db2.gz	MGKCAFQXBAFOSW-NHOFJDTKSA-N	-1	3	550.824	9.380	1	30		KKEFHM
CC[C@@H](C)C(=O)[C@@]12C(=O)C(CC=C(C)C)=C([O-])[C@@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O	ZINC000104892943	562825129	/nfs/dbraw/zinc/82/51/29/562825129.db2.gz	MGKCAFQXBAFOSW-NHOFJDTKSA-N	-1	3	550.824	9.380	1	30		KKEFHM
O=C(NC[C@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(F)cn1)[C@]([O-])(c1ccccc1)C(F)(F)F	ZINC000114404720	562828213	/nfs/dbraw/zinc/82/82/13/562828213.db2.gz	CMNNDSPUDJVCNI-VSGBNLITSA-N	-1	3	594.502	6.474	1	30		KKEFHM
COC(c1ccc(C(=O)N(C)CCCCCCC(=O)N[O-])cc1)(c1ccccc1F)c1ccccc1F	ZINC000118713705	562830530	/nfs/dbraw/zinc/83/05/30/562830530.db2.gz	PSHNWWBJXFQVNM-UHFFFAOYSA-N	-1	3	510.581	5.431	1	30		KKEFHM
CCOc1nnc(-c2cc(C(=O)N3CCC(F)(c4ccc(C#N)cc4)CC3)c(CC)cc2C2CCC2)[n-]1	ZINC000150323161	562843104	/nfs/dbraw/zinc/84/31/04/562843104.db2.gz	GQOWUYCMKKLWRH-UHFFFAOYSA-N	-1	3	501.606	5.673	1	30		KKEFHM
CCOc1nc(-c2cc(C(=O)N3CCC(F)(c4ccc(C#N)cc4)CC3)c(CC)cc2C2CCC2)n[n-]1	ZINC000150323161	562843105	/nfs/dbraw/zinc/84/31/05/562843105.db2.gz	GQOWUYCMKKLWRH-UHFFFAOYSA-N	-1	3	501.606	5.673	1	30		KKEFHM
CCOc1n[n-]c(-c2cc(C(=O)N3CCC(F)(c4ccc(C#N)cc4)CC3)c(CC)cc2C2CCC2)n1	ZINC000150323161	562843106	/nfs/dbraw/zinc/84/31/06/562843106.db2.gz	GQOWUYCMKKLWRH-UHFFFAOYSA-N	-1	3	501.606	5.673	1	30		KKEFHM
CC(C)C(=O)c1c(O)c([C@H](C2=C([O-])C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c2c3c1OC(C)(C)C[C@H]3[C@H]1C(C)(C)C(=O)C(C)(C)[C@@]1(O)O2	ZINC000150625190	562848914	/nfs/dbraw/zinc/84/89/14/562848914.db2.gz	AAAZHHFCYMSXNC-DGFBKQBBSA-N	-1	3	652.825	6.964	1	30		KKEFHM
COc1cc(-c2cc(NC(=O)Nc3ccc(OCCN(C)C)cc3)cc(OC)c2OC)ccc1/C(C)=N/[O-]	ZINC000169323989	562857236	/nfs/dbraw/zinc/85/72/36/562857236.db2.gz	GRPUGDNPNSIBGT-FDAWAROLSA-N	-1	3	522.602	5.162	1	30		KKEFHM
C=C1CCC[C@@H]2Nc3c(cc(Br)cc3F)[C@]12CC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000169347583	562862028	/nfs/dbraw/zinc/86/20/28/562862028.db2.gz	KQFJWHWSHSJXKU-FPOVZHCZSA-N	-1	3	534.278	6.036	1	30		KKEFHM
CC(C)(C)[C@@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)N[O-])C(=O)NC(C)(c1ccccc1)c1ccccc1	ZINC000213406231	562877175	/nfs/dbraw/zinc/87/71/75/562877175.db2.gz	DJWZYQPRHLAHAP-IRPSRAIASA-N	-1	3	543.708	5.132	1	30		KKEFHM
C[C@H](NC(=O)[C@H](NC(=O)[C@@H](CCCc1ccc2c(c1)Cc1ccccc1-2)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000213427622	562877206	/nfs/dbraw/zinc/87/72/06/562877206.db2.gz	FLMHRETZLINTLJ-XHTHIGMCSA-N	-1	3	555.719	5.501	1	30		KKEFHM
C[C@H](NC(=O)[C@H](NC(=O)[C@@H](CCCc1ccc(-c2ccccc2)c(C(F)(F)F)c1)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000213424997	562877250	/nfs/dbraw/zinc/87/72/50/562877250.db2.gz	MDHGHVZOCBQJRL-PJISXUAISA-N	-1	3	611.705	6.615	1	30		KKEFHM
Cc1ccc2ccc([C@@H](Nc3cccnc3)c3c(F)c(F)c(OCC(F)(F)F)c(F)c3F)c([O-])c2n1	ZINC000219237794	562878004	/nfs/dbraw/zinc/87/80/04/562878004.db2.gz	DTLSGZWDANMNFV-OAQYLSRUSA-N	-1	3	511.397	6.343	1	30		KKEFHM
CC(=CC(=O)c1ccccc1)N[C@H](Cc1ccc(OCCCOc2ccc(N=Nc3ccccc3)cc2)cc1)C(=O)[O-]	ZINC000299836848	562887322	/nfs/dbraw/zinc/88/73/22/562887322.db2.gz	NWKLMPPRHKWFNB-LAPQPTQGSA-N	-1	3	563.654	7.322	1	30		KKEFHM
C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2cccc(C(F)(F)F)c2)=C(c2ccc(/C(N)=N\[O-])cc2)O1	ZINC000299839321	562888189	/nfs/dbraw/zinc/88/81/89/562888189.db2.gz	XSRDMLYGKAHUOH-VWLOTQADSA-N	-1	3	516.541	5.364	1	30		KKEFHM
[O-]C(C1=C(N=NC2CCC[C@H]2C(O)(C(F)(F)Cl)C(F)(F)Cl)CCC1)(C(F)(F)Cl)C(F)(F)Cl	ZINC000299844269	562889255	/nfs/dbraw/zinc/88/92/55/562889255.db2.gz	FAYSHFCADZNKIX-CDNFJQMASA-N	-1	3	562.112	6.172	1	30		KKEFHM
CCCCCCCCCCOC(=O)CCC(=O)OCCN1CCN(c2cc([N-]c3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C)n2)CC1	ZINC000299858554	562892503	/nfs/dbraw/zinc/89/25/03/562892503.db2.gz	DSTAITGBSDYKQI-UHFFFAOYSA-N	-1	3	728.360	7.329	1	30		KKEFHM
CCCCOC(=O)OCOP(=O)(OCOC(=O)OCCCC)[C@H](CCC(=O)N[O-])c1ccc(F)c(F)c1	ZINC000299871276	562895699	/nfs/dbraw/zinc/89/56/99/562895699.db2.gz	YHAHWWBLUTWEFV-LJQANCHMSA-N	-1	3	555.464	5.339	1	30		KKEFHM
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C3C4=C(CC(C)(C)CC4=O)N(c4ccc(S(N)(=O)=O)cc4)C4=C3C(=O)CC(C)(C)C4)cc2)c(C)c1	ZINC000473112567	562898684	/nfs/dbraw/zinc/89/86/84/562898684.db2.gz	FJATVDRILQFLBB-UHFFFAOYSA-N	-1	3	701.911	6.950	1	30		KKEFHM
CCCCCCCCC(=O)Nc1ccc(C[C@H]2C(=O)O[C@@H]3c4cc(C)cc([O-])c4C4=C(C(=O)c5c(O[C@H]6C[C@@H](O)[C@@H](O)[C@H](C)O6)cccc5C4=O)N32)cc1	ZINC000473123096	562899528	/nfs/dbraw/zinc/89/95/28/562899528.db2.gz	KKTPQABJIXMCJH-MTEQOHFVSA-N	-1	3	738.834	5.898	1	30		KKEFHM
CN1c2ccc(NCc3ccc(-c4nnc(CCCCCCC(=O)N[O-])o4)cc3)cc2C(=O)N2CCc3c4cc(O)ccc4[nH]c3[C@H]12	ZINC000473125707	562899697	/nfs/dbraw/zinc/89/96/97/562899697.db2.gz	RQCBYDHIYYOKAZ-UUWRZZSWSA-N	-1	3	635.725	5.681	1	30		KKEFHM
CN1c2ccc(NCc3ccc(-c4nnc(CCCCCCC(=O)N[O-])o4)cc3)cc2C(=O)N2CCc3c4cc(O)ccc4[nH]c3[C@@H]12	ZINC000473125706	562899712	/nfs/dbraw/zinc/89/97/12/562899712.db2.gz	RQCBYDHIYYOKAZ-UMSFTDKQSA-N	-1	3	635.725	5.681	1	30		KKEFHM
COc1ncc(-c2ccc3nccc(C#CCN4CCC(C)CC4)c3c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1F	ZINC000653691219	562906773	/nfs/dbraw/zinc/90/67/73/562906773.db2.gz	ISKNCFCJWNFKOI-UHFFFAOYSA-N	-1	3	562.642	5.468	1	30		KKEFHM
C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)C(c5ccc(-c6nnn[n-]6)cc5)=CC[C@@]34C)[C@@H]12	ZINC000653727960	562909268	/nfs/dbraw/zinc/90/92/68/562909268.db2.gz	AKSLZBQDJMHRJL-OKTKUWAQSA-N	-1	3	568.850	8.510	1	30		KKEFHM
C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)C(c5ccc(-c6nn[n-]n6)cc5)=CC[C@@]34C)[C@@H]12	ZINC000653727960	562909269	/nfs/dbraw/zinc/90/92/69/562909269.db2.gz	AKSLZBQDJMHRJL-OKTKUWAQSA-N	-1	3	568.850	8.510	1	30		KKEFHM
COc1cc2c(cc1O)[C@@H](c1ccccc1)C#C[C@@H]1C[C@H](Cc3ccnc(N)c3)C[C@H]([C@H](CO)CCC3CCCCC3)C[C@H]1C(=O)C=C([O-])CC2	ZINC000085631475	565164551	/nfs/dbraw/zinc/16/45/51/565164551.db2.gz	MTUGHCMJUFRSPW-BBTBSKKISA-N	-1	3	690.925	7.848	1	30	biogenic,in-vitro	KKEFHM
COc1cc2c(cc1O)[C@@H](c1ccccc1)C#C[C@@H]1C[C@H](Cc3ccnc(N)c3)C[C@H]([C@H](CO)CCC3CCCCC3)C[C@H]1C([O-])=CC(=O)CC2	ZINC000085631475	565164554	/nfs/dbraw/zinc/16/45/54/565164554.db2.gz	MTUGHCMJUFRSPW-BBTBSKKISA-N	-1	3	690.925	7.848	1	30	biogenic,in-vitro	KKEFHM
CCC[C@H](CO)[C@H]1C[C@H](Cc2ccnc(N)c2)C[C@@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC([O-])=CC(=O)[C@H]2C1	ZINC000085631432	565164568	/nfs/dbraw/zinc/16/45/68/565164568.db2.gz	ZFYUMAARPRJLMM-AMIKGSJDSA-N	-1	3	622.806	6.288	1	30	biogenic,in-vitro	KKEFHM
CCC[C@H](CO)[C@H]1C[C@H](Cc2ccnc(N)c2)C[C@@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)C=C([O-])[C@H]2C1	ZINC000085631432	565164570	/nfs/dbraw/zinc/16/45/70/565164570.db2.gz	ZFYUMAARPRJLMM-AMIKGSJDSA-N	-1	3	622.806	6.288	1	30	biogenic,in-vitro	KKEFHM
CCC1C=C2C(=N1)N1CCN[C@@H](C#C[C@@H](c3c(=O)c(OC)c([O-])c4c(O)cc(-c5ccc(O)cc5)oc3-4)Cc3cccc2c3)C1	ZINC000103533123	565194594	/nfs/dbraw/zinc/19/45/94/565194594.db2.gz	CYXLRILJBYUOKP-NOZRDPDXSA-N	-1	3	602.667	5.050	1	30	biogenic,in-vitro	KKEFHM
CCC[C@]1(O)[C@@H]2CCC(=O)[C@H](C2)Cc2cccc(c2)CC/C=C2/C[C@@H](c3cc(CO)cc(NC[C@H](C)O)c3)C#C[C@@H]3CC(=O)Oc4cc([O-])c(cc43)C[C@H]1OC2=O	ZINC000150344571	291939302	/nfs/dbraw/zinc/93/93/02/291939302.db2.gz	QTPFOSZONDCGHK-GKZUPLSHSA-N	-1	3	775.939	6.347	1	30	biogenic,in-vitro	KKEFHM
CC(C)CN([C@H](CCSCc1ccccc1)C(=O)N[O-])S(=O)(=O)c1ccc(Oc2ccccc2)cc1	ZINC000013864005	561735281	/nfs/dbraw/zinc/73/52/81/561735281.db2.gz	XOOXBIFEOHDRHE-AREMUKBSSA-N	-1	3	528.696	5.323	1	30		KKEFHM
COc1ccc(S(=O)(=O)N(CC(C)C)[C@H](CCSCc2ccc(OCc3ccccc3)cc2)C(=O)N[O-])cc1	ZINC000014127939	561736816	/nfs/dbraw/zinc/73/68/16/561736816.db2.gz	CQIQKDQFHVTTKM-MUUNZHRXSA-N	-1	3	572.749	5.118	1	30		KKEFHM
Cc1ccc(-c2cc(COc3ccc([C@]4(N)CCN([C@H](CC(C)C)C(=O)N[O-])C4=O)cc3)c3ccccc3n2)cc1	ZINC000014210750	561737968	/nfs/dbraw/zinc/73/79/68/561737968.db2.gz	FMJMCCCTQPXQFS-LXANVCGNSA-N	-1	3	552.675	5.096	1	30		KKEFHM
O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc([C@@]([O-])(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)cc1	ZINC000014976894	561752284	/nfs/dbraw/zinc/75/22/84/561752284.db2.gz	XUVYNXAYRAIJTP-HNNXBMFYSA-N	-1	3	581.350	6.027	1	30		KKEFHM
O=C(C[C@@H](CCCc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1)N[O-]	ZINC000026403726	561789261	/nfs/dbraw/zinc/78/92/61/561789261.db2.gz	YGJCNDHMYMIUBJ-VPUSJEBWSA-N	-1	3	575.672	5.354	1	30		KKEFHM
COc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2C)ccc1Cc1cn(C(=O)NCCN(C)C)c2ccc(NC(=O)OC3CCCC3)cc12	ZINC000026495769	561794329	/nfs/dbraw/zinc/79/43/29/561794329.db2.gz	OWMPZRRSGCUFHM-UHFFFAOYSA-N	-1	3	675.808	5.853	1	30		KKEFHM
N#Cc1c([N-]C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)sc2c1CC[C@H](c1ccccc1)C2	ZINC000026648963	561808070	/nfs/dbraw/zinc/80/80/70/561808070.db2.gz	RFBHGTAROUPZGA-KRWDZBQOSA-N	-1	3	576.527	5.472	1	30		KKEFHM
CCC[C@H](C)N(CC(=O)N[O-])C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1	ZINC000026716024	561814053	/nfs/dbraw/zinc/81/40/53/561814053.db2.gz	ILSJMXQCMMFBCS-DEOSSOPVSA-N	-1	3	546.668	5.468	1	30		KKEFHM
O=C(CN(C(=O)CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCc2ccccc21)[C@@H]1CCCc2ccccc21)N[O-]	ZINC000026722274	561815448	/nfs/dbraw/zinc/81/54/48/561815448.db2.gz	CQWGNGOLUOZZBZ-KKLWWLSJSA-N	-1	3	618.734	6.802	1	30		KKEFHM
CC1=C2[C@@H](Sc3ccccc3)[C@H](OCCO)c3cccc([O-])c3[C@H](OCc3ccccc3)[C@](O)(CC1=O)C2(C)C	ZINC000026745254	561818694	/nfs/dbraw/zinc/81/86/94/561818694.db2.gz	XIARQOQDFGSBTA-RASQHNTCSA-N	-1	3	560.712	5.921	1	30		KKEFHM
[O-]c1cc(F)c(CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cc1CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1	ZINC000027866131	561887762	/nfs/dbraw/zinc/88/77/62/561887762.db2.gz	GDPKJCFUGCOVMX-UHFFFAOYSA-N	-1	3	626.613	6.536	1	30		KKEFHM
O=C(C=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCCCCCCCNc1ccnc2cc(Cl)ccc21	ZINC000028378429	561919664	/nfs/dbraw/zinc/91/96/64/561919664.db2.gz	GAYSGWRCVORJNS-MUFRIFMGSA-N	-1	3	527.969	5.281	1	30		KKEFHM
COc1ccc(S(=O)(=O)[C@@H](CC(=O)N[O-])c2cccc(Oc3ccccc3)c2)cc1OC1CCCC1	ZINC000029391579	562017410	/nfs/dbraw/zinc/01/74/10/562017410.db2.gz	LZZFXVQBLDVWTK-SANMLTNESA-N	-1	3	511.596	5.219	1	30		KKEFHM
CSC(C)=NOC(=O)N(C)SN(C([O-])=NC(=O)c1c(F)cccc1F)c1ccc(Cl)cc1	ZINC000035324977	562045277	/nfs/dbraw/zinc/04/52/77/562045277.db2.gz	FVIMZQYRESEMGR-BHGWPJFGSA-N	-1	3	502.952	5.303	1	30		KKEFHM
CSC(C)=NOC(=O)N(C)SN(C(=O)[N-]C(=O)c1c(F)cccc1F)c1ccc(Cl)cc1	ZINC000035324977	562045280	/nfs/dbraw/zinc/04/52/80/562045280.db2.gz	FVIMZQYRESEMGR-BHGWPJFGSA-N	-1	3	502.952	5.303	1	30		KKEFHM
CCCCCCCCCCCCCCCCc1c([O-])c2c(=O)c(OC)c(OC)cc-2oc1-c1ccc(O)c(O)c1	ZINC000036222859	562051845	/nfs/dbraw/zinc/05/18/45/562051845.db2.gz	NGGFDEULHRACKW-UHFFFAOYSA-N	-1	3	554.724	8.618	1	30		KKEFHM
CCCCCCCCCCCCCCCCOc1c(OC)cc2oc(-c3ccc([O-])c(O)c3)cc(=O)c2c1OC	ZINC000036241685	562052042	/nfs/dbraw/zinc/05/20/42/562052042.db2.gz	ZHCZHHZVHLULKC-UHFFFAOYSA-N	-1	3	554.724	8.749	1	30		KKEFHM
CCCCCCCCCCCCCCSC(=O)CS(=O)(=O)[N-]c1c(C(C)C)cccc1C(C)C	ZINC000036349848	562057970	/nfs/dbraw/zinc/05/79/70/562057970.db2.gz	MTDDYSJXHOPPHN-UHFFFAOYSA-N	-1	3	511.838	8.636	1	30		KKEFHM
CC1(C)CC(=O)C2C(=Nc3c([O-])cccc3N(C(=O)c3cscn3)[C@H]2c2ccc(OCc3ccccc3)cc2F)C1	ZINC000042805267	562089058	/nfs/dbraw/zinc/08/90/58/562089058.db2.gz	KAMRNILTBNVHMB-PMERELPUSA-N	-1	3	569.658	7.024	1	30		KKEFHM
CC(C)=CCC1=C([O-])[C@@]2(C(=O)C(C)C)C(=O)[C@](CC=C(C)C)(C[C@@H](CC=C(C)C)[C@@]2(C)CC/C=C(\C)CO)C1=O	ZINC000100042376	560053651	/nfs/dbraw/zinc/05/36/51/560053651.db2.gz	HBIUPVRWLXFZQP-WZNQOOCQSA-N	-1	3	552.796	7.962	1	30	biogenic,in-vitro	KKEFHM
CC(C)=CCC1=C([O-])[C@@]2(CC=C(C)C)C[C@@H](CC=C(C)C)[C@@](C)(CC/C=C(\C)CO)[C@@](C(=O)C(C)C)(C1=O)C2=O	ZINC000100042376	560053653	/nfs/dbraw/zinc/05/36/53/560053653.db2.gz	HBIUPVRWLXFZQP-WZNQOOCQSA-N	-1	3	552.796	7.962	1	30	biogenic,in-vitro	KKEFHM
CCCC[C@@H]1C[C@H]2C(=O)C=C([O-])CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3)C#C[C@@H]2C[C@@H](Cc2ccnc(N)c2)C1	ZINC000085631509	560067991	/nfs/dbraw/zinc/06/79/91/560067991.db2.gz	LKNBMFLBLNMHDO-LMHORSJPSA-N	-1	3	592.780	7.069	1	30	biogenic,in-vitro	KKEFHM
CCCC[C@@H]1C[C@H]2C([O-])=CC(=O)CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3)C#C[C@@H]2C[C@@H](Cc2ccnc(N)c2)C1	ZINC000085631509	560067992	/nfs/dbraw/zinc/06/79/92/560067992.db2.gz	LKNBMFLBLNMHDO-LMHORSJPSA-N	-1	3	592.780	7.069	1	30	biogenic,in-vitro	KKEFHM
C=CCc1cc(-c2cc(CC=C)cc([C@@H]3C=C(C)CC[C@H]3C(C)C)c2O)c([O-])c([C@@H]2C=C(C)CC[C@@H]2C(C)C)c1	ZINC000015122011	560228805	/nfs/dbraw/zinc/22/88/05/560228805.db2.gz	QEYQILFFUHBUTP-VWPRMMSESA-N	-1	3	538.816	10.414	1	30	biogenic,in-vitro	KKEFHM
C=CCc1cc(-c2cc(CC=C)cc([C@@H]3C=C(C)CC[C@@H]3C(C)C)c2O)c([O-])c([C@@H]2C=C(C)CC[C@H]2C(C)C)c1	ZINC000015122011	560228807	/nfs/dbraw/zinc/22/88/07/560228807.db2.gz	QEYQILFFUHBUTP-VWPRMMSESA-N	-1	3	538.816	10.414	1	30	biogenic,in-vitro	KKEFHM
CCCCCCCC(=O)O[C@H](O[P@](=O)([O-])CN[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCC(=O)OCC)C(C)C	ZINC000043397065	562648217	/nfs/dbraw/zinc/64/82/17/562648217.db2.gz	TYFAEZZYCWIAOO-RYCFQHDISA-N	-1	3	632.735	5.969	1	30		KKEFHM
COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OCCCCCCC(=O)N[O-]	ZINC000049762914	562676740	/nfs/dbraw/zinc/67/67/40/562676740.db2.gz	OYAHQWRTIPQZIR-UHFFFAOYSA-N	-1	3	569.033	6.588	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@@H](C5)CC[C@H]2[C@](C)(C=CC=C(OC)C(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O	ZINC000049863806	562689232	/nfs/dbraw/zinc/68/92/32/562689232.db2.gz	XLXIHRFXQCCMQW-SNMWIRIOSA-N	-1	3	695.897	7.767	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@@H](C5)CC[C@H]2[C@](C)(C=CC=C(OC)C(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O	ZINC000049863806	562689233	/nfs/dbraw/zinc/68/92/33/562689233.db2.gz	XLXIHRFXQCCMQW-SNMWIRIOSA-N	-1	3	695.897	7.767	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@](C)(C=CC=C(OC)C(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049863809	562689247	/nfs/dbraw/zinc/68/92/47/562689247.db2.gz	XLXIHRFXQCCMQW-IUKWRZGMSA-N	-1	3	695.897	7.767	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@](C)(C=CC=C(OC)C(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049863809	562689248	/nfs/dbraw/zinc/68/92/48/562689248.db2.gz	XLXIHRFXQCCMQW-IUKWRZGMSA-N	-1	3	695.897	7.767	1	30		KKEFHM
CCCCCCC[C@H](C(=O)NCCc1ccccc1)N(Cc1ccccc1)C(=O)CCCCCCC(=O)N[O-]	ZINC000049872320	562689957	/nfs/dbraw/zinc/68/99/57/562689957.db2.gz	LPNHYJCVJDLTDK-GDLZYMKVSA-N	-1	3	537.745	5.949	1	30		KKEFHM
CC(C)(C)CC[C@]1(NCc2ccc(-c3ccccc3)cc2)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000049898189	562692297	/nfs/dbraw/zinc/69/22/97/562692297.db2.gz	SMRSETDCEFPKHF-QNGWXLTQSA-N	-1	3	698.867	6.601	1	30		KKEFHM
CC[NH+](CC)[C@@H](C)CC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3[O-])nc([N-]C(=O)c3ccco3)c2C#N)c1	ZINC000053294168	562697202	/nfs/dbraw/zinc/69/72/02/562697202.db2.gz	ZFZOJMJOOSZWMT-IBGZPJMESA-N	-1	3	555.610	6.036	1	30		KKEFHM
CC[NH2+][C@H](CC)CC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3[O-])nc([N-]C(=O)c3ccco3)c2C#N)c1	ZINC000053294179	562697217	/nfs/dbraw/zinc/69/72/17/562697217.db2.gz	LQGKAOHALGAYHK-HXUWFJFHSA-N	-1	3	541.583	5.694	1	30		KKEFHM
CCN[C@@H](CC)C(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3[O-])nc(NC(=O)c3ccco3)c2C#N)c1	ZINC000053294193	562697241	/nfs/dbraw/zinc/69/72/41/562697241.db2.gz	AVCJOCSUKBWQLN-QHCPKHFHSA-N	-1	3	527.556	5.304	1	30		KKEFHM
CC[NH2+][C@H](C)CC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3[O-])nc([N-]C(=O)c3ccco3)c2C#N)c1	ZINC000053295619	562697316	/nfs/dbraw/zinc/69/73/16/562697316.db2.gz	LRBNYCDMNJELGI-QGZVFWFLSA-N	-1	3	527.556	5.304	1	30		KKEFHM
C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N/[O-])cc2)=C(c2ccc(Nc3cccc(/C(N)=N/O)c3)cc2)O1	ZINC000064379366	562704885	/nfs/dbraw/zinc/70/48/85/562704885.db2.gz	FRXBYQWAULSLBA-YTTGMZPUSA-N	-1	3	597.697	5.183	1	30		KKEFHM
C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N/[O-])cc2)=C(c2ccc(/C=C/c3ccc(/C(N)=N/O)cc3)cc2)O1	ZINC000064394287	562704961	/nfs/dbraw/zinc/70/49/61/562704961.db2.gz	GFKMVJVWDLYGEF-XELAAWKGSA-N	-1	3	608.720	5.610	1	30		KKEFHM
C=CCC(=O)OCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2[n-]1	ZINC000064548901	562707908	/nfs/dbraw/zinc/70/79/08/562707908.db2.gz	ZPTFHVXBHOJFAW-ACHIHNKUSA-N	-1	3	634.733	5.934	1	30		KKEFHM
C[C@@H](C(=O)N[C@@H](CCCCCC(=O)N[O-])C(=O)Nc1cccc2cccnc21)c1ccc(N2Cc3ccccc3C2=O)cc1	ZINC000064549264	562708067	/nfs/dbraw/zinc/70/80/67/562708067.db2.gz	QSCRFRDEFSVLJA-MNNSJKJDSA-N	-1	3	593.684	5.078	1	30		KKEFHM
Cc1ccc(-c2nc3c(c(=O)[n-]2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N3c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000066102791	562711450	/nfs/dbraw/zinc/71/14/50/562711450.db2.gz	PPWTYAVVFQYKOW-VWLOTQADSA-N	-1	3	607.519	6.403	1	30		KKEFHM
C=C(C)[C@@H](C)c1cc(C(=O)/C=C/c2cc(Br)c(O[C@H]3CCCCO3)cc2[O-])ccc1OC	ZINC000071334678	562719615	/nfs/dbraw/zinc/71/96/15/562719615.db2.gz	LYOJJHXOAUWTNC-FDYXMQKZSA-N	-1	3	501.417	6.644	1	30		KKEFHM
C=C(C)[C@@H](C)c1cc(C(=O)/C=C/c2cc(Br)c(O[C@@H]3CCCCO3)cc2[O-])ccc1OC	ZINC000071334672	562719627	/nfs/dbraw/zinc/71/96/27/562719627.db2.gz	LYOJJHXOAUWTNC-UPAAFCASSA-N	-1	3	501.417	6.644	1	30		KKEFHM
CCCCCCCCOC(=O)c1c(C(C)(C)O)nc(CCC)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1	ZINC000072113786	562722446	/nfs/dbraw/zinc/72/24/46/562722446.db2.gz	LUMIKGXBOLCJRT-UHFFFAOYSA-N	-1	3	558.727	6.476	1	30		KKEFHM
CCCCCCCCOC(=O)c1c(C(C)(C)O)nc(CCC)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1	ZINC000072113786	562722447	/nfs/dbraw/zinc/72/24/47/562722447.db2.gz	LUMIKGXBOLCJRT-UHFFFAOYSA-N	-1	3	558.727	6.476	1	30		KKEFHM
COc1ccc(OC)c(/C=C/C(=O)C(=Cc2cc(OC)c([O-])c(OC)c2)C(=O)/C=C/c2cc(OC)ccc2OC)c1	ZINC000084669225	562747943	/nfs/dbraw/zinc/74/79/43/562747943.db2.gz	QHMGEZBEILHPPO-MKICQXMISA-N	-1	3	560.599	5.392	1	30		KKEFHM
O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc([C@]([O-])(C#Cc2ccc(F)cc2)C(F)(F)F)cc1	ZINC000084688081	562749065	/nfs/dbraw/zinc/74/90/65/562749065.db2.gz	YLVSOZLTAZECTH-JOCHJYFZSA-N	-1	3	531.449	5.385	1	30		KKEFHM
COc1cccc(C#C[C@]([O-])(c2ccc(N(CC(C)C)S(=O)(=O)c3ccccc3)cc2)C(F)(F)F)c1	ZINC000084690739	562749717	/nfs/dbraw/zinc/74/97/17/562749717.db2.gz	WGCDCIPOZNKVON-SANMLTNESA-N	-1	3	517.569	5.348	1	30		KKEFHM
CC(C)CN(c1ccc([C@@]([O-])(C#Cc2ccc(F)cc2F)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1	ZINC000084710436	562750537	/nfs/dbraw/zinc/75/05/37/562750537.db2.gz	YDKXCKPEVZQWEP-VWLOTQADSA-N	-1	3	523.523	5.618	1	30		KKEFHM
C=CC1CC1(NC(=O)C1CC2CN1C(=O)C(C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(ccnc3O2)cc1OC)C(=O)[N-]S(=O)(=O)C1CC1	ZINC000095547799	562758867	/nfs/dbraw/zinc/75/88/67/562758867.db2.gz	JXYSYDXTCQGOTL-QXURCLOISA-N	-1	3	779.957	5.139	1	30		KKEFHM
COc1cc2c(cc1C)C(=O)C=C1C2=C(C2=Cc3c4cc(O)c(C)cc4c([O-])cc3C(C)(C)C2=O)C(=O)C1(C)C	ZINC000095552438	562760629	/nfs/dbraw/zinc/76/06/29/562760629.db2.gz	IQMBEHLMUVRKQC-UHFFFAOYSA-N	-1	3	534.608	6.306	1	30		KKEFHM
COc1ccc(CCN(CCC(=O)N[O-])S(=O)(=O)c2ccc(NC(=O)Nc3ccc(-c4ccccc4)cc3)cc2)cc1	ZINC000095562214	562763653	/nfs/dbraw/zinc/76/36/53/562763653.db2.gz	CWZSROMDGMSQAC-UHFFFAOYSA-N	-1	3	588.686	5.135	1	30		KKEFHM
COc1ccc(C[C@@H](OC(=O)/C=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C(=O)N[O-])cc1OC	ZINC000095586748	562774126	/nfs/dbraw/zinc/77/41/26/562774126.db2.gz	IVGTXCKCPLHTEJ-LKCJCFKCSA-N	-1	3	583.637	5.535	1	30		KKEFHM
C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)[O-])c(Br)c1	ZINC000095590321	562775196	/nfs/dbraw/zinc/77/51/96/562775196.db2.gz	MKLBCKJXIOCLSN-VTNSRFBWSA-N	-1	3	555.435	7.021	1	30		KKEFHM
C[C@H](C(=O)N[O-])N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000095610006	562784154	/nfs/dbraw/zinc/78/41/54/562784154.db2.gz	RBEXYWXIIUYFFI-SSDOTTSWSA-N	-1	3	721.342	5.587	1	30		KKEFHM
COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(NC(=O)CCCCCCC(=O)N[O-])cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000096286401	562796143	/nfs/dbraw/zinc/79/61/43/562796143.db2.gz	HTZHPYRITOSRMT-DKJDTLJOSA-N	-1	3	661.708	5.011	1	30		KKEFHM
CCOC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)[N-]c3sc4c(c3C#N)CCCC4)c(Cl)cc2Cl)CC1	ZINC000096914381	562800771	/nfs/dbraw/zinc/80/07/71/562800771.db2.gz	JUBATRAOBILXEU-UHFFFAOYSA-N	-1	3	570.520	5.021	1	30		KKEFHM
CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\[O-])C[C@@H]12)c1ccccc1	ZINC000096932700	562803530	/nfs/dbraw/zinc/80/35/30/562803530.db2.gz	SINFUWYDGMUNGG-QPSBHZBDSA-N	-1	3	613.761	7.412	1	30		KKEFHM
CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\[O-])C[C@@H]12)c1ccccc1Cl	ZINC000096935427	562804117	/nfs/dbraw/zinc/80/41/17/562804117.db2.gz	DZGHIVVBBAZUMI-RPNNYWJASA-N	-1	3	648.206	8.065	1	30		KKEFHM
CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\[O-])C[C@@H]12)c1ccccc1Cl	ZINC000096935428	562804139	/nfs/dbraw/zinc/80/41/39/562804139.db2.gz	DZGHIVVBBAZUMI-SSXXBGJTSA-N	-1	3	648.206	8.065	1	30		KKEFHM
Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(/N=C/c5ccc([O-])cc5)cc4)nc(N(C)C)n3)ccc12	ZINC000103220761	562817437	/nfs/dbraw/zinc/81/74/37/562817437.db2.gz	UJLUGNODWKACNO-MUFRIFMGSA-N	-1	3	508.538	5.345	1	30		KKEFHM
CCCCCCCCCCCCCCCCCC(=O)OC1=C([O-])c2ccccc2C(=O)C1=CC=C(C)C	ZINC000103236155	562818859	/nfs/dbraw/zinc/81/88/59/562818859.db2.gz	YJTZPDHLYHGADP-UHFFFAOYSA-N	-1	3	508.743	9.481	1	30		KKEFHM
C[C@H]([N-]S(=O)(=O)c1ccc(-c2c(C#N)c3c(cc(OC(F)F)cc3F)n2C2CCC2)nc1)C(F)(F)F	ZINC000103270502	562822939	/nfs/dbraw/zinc/82/29/39/562822939.db2.gz	WMNDITQYXRFRHP-NSHDSACASA-N	-1	3	532.466	5.270	1	30		KKEFHM
CC[C@H](C)C(=O)[C@]12C(=O)[C@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C(=O)C(CC=C(C)C)=C2[O-]	ZINC000104892946	562825125	/nfs/dbraw/zinc/82/51/25/562825125.db2.gz	MGKCAFQXBAFOSW-VSTIYMNMSA-N	-1	3	550.824	9.380	1	30		KKEFHM
CC[C@H](C)C(=O)[C@@]12C(=O)C(CC=C(C)C)=C([O-])[C@@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O	ZINC000104892946	562825126	/nfs/dbraw/zinc/82/51/26/562825126.db2.gz	MGKCAFQXBAFOSW-VSTIYMNMSA-N	-1	3	550.824	9.380	1	30		KKEFHM
CC(C)C[C@H](C(=O)N[O-])N1CC[C@@](N)(c2ccc(OCc3cc(C4CCCCC4)nc4ccccc34)cc2)C1=O	ZINC000169329933	562858618	/nfs/dbraw/zinc/85/86/18/562858618.db2.gz	SSSWULJHUZDXQI-QLWXXVCSSA-N	-1	3	544.696	5.168	1	30		KKEFHM
CC(C)(C)[C@@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)c(F)c1)CC(=O)N[O-])C(=O)NC(c1ccccc1)c1ccccc1	ZINC000213428936	562877239	/nfs/dbraw/zinc/87/72/39/562877239.db2.gz	ZWHGWUJFPYMQHK-BIMVPBQRSA-N	-1	3	623.769	6.764	1	30		KKEFHM
C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CCCc1ccc(-c2ccccc2)c(C(F)(F)F)c1)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000213425117	562877243	/nfs/dbraw/zinc/87/72/43/562877243.db2.gz	MDHGHVZOCBQJRL-PVLHBDHTSA-N	-1	3	611.705	6.615	1	30		KKEFHM
C[C@@]1(c2ccc(-c3cccc([N+](=O)[O-])c3)cc2)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\[O-])cc2)O1	ZINC000299835064	562886701	/nfs/dbraw/zinc/88/67/01/562886701.db2.gz	KCJMVEJIJXVNGX-PMERELPUSA-N	-1	3	573.602	5.974	1	30		KKEFHM
O=C(CCCCCCC(=O)N1C/C=C/COCc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1)N[O-]	ZINC000299859512	562892744	/nfs/dbraw/zinc/89/27/44/562892744.db2.gz	IBBQKUCOAKLFSA-AATRIKPKSA-N	-1	3	529.641	5.148	1	30		KKEFHM
Cc1ccsc1C(=CCCN1CCN(CCON=C(c2ccccc2)c2ccccc2)C[C@H](C(=O)[O-])C1)c1sccc1C	ZINC000299860005	562892866	/nfs/dbraw/zinc/89/28/66/562892866.db2.gz	GGISDZXAUGEXSU-SSEXGKCCSA-N	-1	3	613.849	7.036	1	30		KKEFHM
CCCCCCCCCCCCCCCCN=C1C=CC(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)=CC1	ZINC000377847125	562896370	/nfs/dbraw/zinc/89/63/70/562896370.db2.gz	RUIGCPFEGJUYSX-UHFFFAOYSA-N	-1	3	514.776	8.091	1	30		KKEFHM
Cn1cc2c([n-]1)nc(=NC(=Nc1cccc(Cl)c1)Nc1cccc(Cl)c1)n1nc(-c3ccco3)nc21	ZINC000473121884	562899463	/nfs/dbraw/zinc/89/94/63/562899463.db2.gz	IBFLFWYWQYIYRS-UHFFFAOYSA-N	-1	3	518.368	5.211	1	30		KKEFHM
C=CCc1ccc([O-])c(-c2cc(CC=C)ccc2OC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)c1	ZINC000653704209	562907684	/nfs/dbraw/zinc/90/76/84/562907684.db2.gz	QSOLQFIIGRYZSM-UHFFFAOYSA-N	-1	3	544.478	8.715	1	30		KKEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@]2(O[C@@H]2CCc2cc(N)nc(-c4ccnc(N)c4)c2)C2CCC(CC2)[C@@H]31	ZINC000085593971	565150653	/nfs/dbraw/zinc/15/06/53/565150653.db2.gz	LVPJBFHTMFBIFH-XWOMWQNVSA-N	-1	3	638.721	5.185	1	30	biogenic,in-vitro	KKEFHM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)OC(C)(C)[C@@H]1OC(=O)[C@]2(O[C@@H]2CCc2cc(N)nc(-c4ccnc(N)c4)c2)C2CCC(CC2)[C@@H]31	ZINC000085593971	565150660	/nfs/dbraw/zinc/15/06/60/565150660.db2.gz	LVPJBFHTMFBIFH-XWOMWQNVSA-N	-1	3	638.721	5.185	1	30	biogenic,in-vitro	KKEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@@]1(C)O[C@@H]1CC1(c2cc(N)nc(-c4ccnc(N)c4)c2)CCCC1)C3	ZINC000085594012	565150770	/nfs/dbraw/zinc/15/07/70/565150770.db2.gz	FCSVOUPYRXFWDB-NCXXJVAISA-N	-1	3	626.710	5.113	1	30	biogenic,in-vitro	KKEFHM
CCC[C@H]([C@H](O)CCO)[C@@H]1C[C@@H](Cc2ccnc(N)c2)C[C@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC([O-])=C(O)C(=O)[C@H]2C1	ZINC000085631352	565163788	/nfs/dbraw/zinc/16/37/88/565163788.db2.gz	HYHOJBWCGZKJAN-PVJJURBXSA-N	-1	3	682.858	5.010	1	30	biogenic,in-vitro	KKEFHM
CCC[C@H]([C@H](O)CCO)[C@@H]1C[C@@H](Cc2ccnc(N)c2)C[C@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)C(O)=C([O-])[C@H]2C1	ZINC000085631352	565163794	/nfs/dbraw/zinc/16/37/94/565163794.db2.gz	HYHOJBWCGZKJAN-PVJJURBXSA-N	-1	3	682.858	5.010	1	30	biogenic,in-vitro	KKEFHM
CCCC[C@@H]1C[C@@H](Cc2ccnc(N)c2)C[C@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC([O-])=C(O)C(=O)[C@H]2C1	ZINC000085631422	565164643	/nfs/dbraw/zinc/16/46/43/565164643.db2.gz	UWYHIUHSZHBVTB-UDBPYOBXSA-N	-1	3	608.779	6.040	1	30	biogenic,in-vitro	KKEFHM
CCCC[C@@H]1C[C@@H](Cc2ccnc(N)c2)C[C@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)C(O)=C([O-])[C@H]2C1	ZINC000085631422	565164647	/nfs/dbraw/zinc/16/46/47/565164647.db2.gz	UWYHIUHSZHBVTB-UDBPYOBXSA-N	-1	3	608.779	6.040	1	30	biogenic,in-vitro	KKEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCCC[C@H]31)O[C@@H]2CC1(c2cc(N)nc(-c3ccnc(N)c3)c2)CCCC1	ZINC000150345687	565201438	/nfs/dbraw/zinc/20/14/38/565201438.db2.gz	RYHAGKZUAFOKPM-JFTVTIBTSA-N	-1	3	666.775	6.209	1	30	biogenic,in-vitro	KKEFHM
CCCCCCCCCCCCCCCC(=O)O[C@@]12C=C[C@@H]3CC(C)(C)C[C@@H]3[C@@]1(C)C[C@@H]2OC(=O)c1c(C)cc([O-])cc1O	ZINC000100782687	571838207	/nfs/dbraw/zinc/83/82/07/571838207.db2.gz	SFZLJVNEGHGCDQ-PMPUBFDUSA-N	-1	3	610.876	9.727	1	30	endogenous,in-man	KKEFHM
CCCCCc1ccccc1CCCC[C@@H]1C=CC(=O)C[C@H]1C[C@H]1CC(=O)CCc2ccc(OC)c(c2)OCc2ccc3c(c([O-])cc4c3c2C=C[C@H]4C)CC#CO1	ZINC000085595994	291936166	/nfs/dbraw/zinc/93/61/66/291936166.db2.gz	FLDXOISSWNWSHW-JXVHPZQZSA-N	-1	3	779.030	11.837	1	30	biogenic,in-vitro	KKEFHM
CCCCCCCCCCCCn1nnc(C(C)(C)S(=O)(=O)[N-]c2c(C(C)C)cccc2C(C)C)n1	ZINC000014277156	561738845	/nfs/dbraw/zinc/73/88/45/561738845.db2.gz	MNAVNHZNGLDSEE-UHFFFAOYSA-N	-1	3	519.800	7.518	1	30		KKEFHM
Cc1ccc(S(=O)(=O)NN=C(CCN2CCCC2)C[C@H](c2ccccc2)c2c([O-])c3ccccc3oc2=O)cc1	ZINC000026495531	561794196	/nfs/dbraw/zinc/79/41/96/561794196.db2.gz	IBWUZPIRGVUGCQ-QOCNYRFBSA-N	-1	3	559.688	5.149	1	30		KKEFHM
N#Cc1c([N-]C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)sc2c1CC[C@@H](c1ccc(O)cc1)C2	ZINC000026643607	561807050	/nfs/dbraw/zinc/80/70/50/561807050.db2.gz	FYCZJQNQTRZJRM-MRXNPFEDSA-N	-1	3	592.526	5.178	1	30		KKEFHM
CCC[C@H](C)N(CC(=O)N[O-])C(=O)CN(C(=O)Nc1ccc2ccccc2c1)[C@H]1CCCc2ccccc21	ZINC000026717174	561814312	/nfs/dbraw/zinc/81/43/12/561814312.db2.gz	JDAADLBCXSWLIJ-IDISGSTGSA-N	-1	3	516.642	5.274	1	30		KKEFHM
O=C(CN(C(=O)CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCCc2ccccc21)[C@H]1CCCc2ccccc21)N[O-]	ZINC000026722295	561815452	/nfs/dbraw/zinc/81/54/52/561815452.db2.gz	CQWGNGOLUOZZBZ-HEVIKAOCSA-N	-1	3	618.734	6.802	1	30		KKEFHM
CC(C)(C)[C@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)N[O-])C(=O)NC(C)(c1ccccc1)c1ccccc1	ZINC000027639054	561874998	/nfs/dbraw/zinc/87/49/98/561874998.db2.gz	DJWZYQPRHLAHAP-VAVYLYDRSA-N	-1	3	543.708	5.132	1	30		KKEFHM
CC(C)=CCc1c2c(c([O-])c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(CC=C(C)C)C5=O)C3=O)C=C[C@@](C)(CCC(C)C)O2	ZINC000028525884	561931801	/nfs/dbraw/zinc/93/18/01/561931801.db2.gz	JBRMVLBIZUTECR-OPMIIXOVSA-N	-1	3	586.769	7.864	1	30		KKEFHM
CCN(CC)S(=O)(=O)c1cc(C(=O)[N-]c2sc3c(c2C#N)C[C@H](c2ccc(O)cc2)CC3)c(Cl)cc1Cl	ZINC000029133821	562003665	/nfs/dbraw/zinc/00/36/65/562003665.db2.gz	AQKMUQSKEAWRMT-MRXNPFEDSA-N	-1	3	578.543	6.187	1	30		KKEFHM
COc1cc(CC[C@H](CCc2ccc(C(F)(F)F)cc2)OC(=S)[N-]CCc2ccccc2)ccc1O	ZINC000029330989	562013845	/nfs/dbraw/zinc/01/38/45/562013845.db2.gz	JFKFVVBPXGVJKI-DEOSSOPVSA-N	-1	3	517.613	6.899	1	30		KKEFHM
COc1ccc(S(=O)(=O)[C@H](CCc2ccc(OCc3ccccc3)cc2)CC(=O)N[O-])cc1OC1CCCC1	ZINC000029390671	562017334	/nfs/dbraw/zinc/01/73/34/562017334.db2.gz	XHVNEGKHXFCMFM-HHHXNRCGSA-N	-1	3	553.677	5.266	1	30		KKEFHM
COc1ccc(S(=O)(=O)[C@@H](CCc2ccc(Oc3ccccc3)cc2)CC(=O)N[O-])cc1OC1CCCC1	ZINC000029396163	562018642	/nfs/dbraw/zinc/01/86/42/562018642.db2.gz	OFWLISQOQVGMBV-SANMLTNESA-N	-1	3	539.650	5.480	1	30		KKEFHM
CCCCCCCCn1cc2c(n1)nc([N-]C(=O)Nc1ccc(CC(=O)OCC)cc1)n1nc(-c3ccco3)nc21	ZINC000034800689	562040982	/nfs/dbraw/zinc/04/09/82/562040982.db2.gz	ZWZGJPPUAQDYAY-UHFFFAOYSA-N	-1	3	558.643	5.844	1	30		KKEFHM
CSC(C)=NOC(=O)N(C)SN(C(=O)[N-]C(=O)c1ccccc1Cl)c1ccc(Cl)cc1	ZINC000035325064	562045271	/nfs/dbraw/zinc/04/52/71/562045271.db2.gz	ODCGNQLJSGWNSN-FSJBWODESA-N	-1	3	501.417	5.678	1	30		KKEFHM
N#Cc1c[n-]c(=O)c(-c2ccc(C(c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)=C3CCN(CC4CC4)CC3)cc2)c1	ZINC000038157855	562069586	/nfs/dbraw/zinc/06/95/86/562069586.db2.gz	IMMIYXMQLAQCFS-UHFFFAOYSA-N	-1	3	547.556	6.255	1	30		KKEFHM
CCCCCC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CCCCCC(=O)N[O-]	ZINC000040412677	562075433	/nfs/dbraw/zinc/07/54/33/562075433.db2.gz	HLBNOIIOFYASPL-SANMLTNESA-N	-1	3	501.712	5.302	1	30		KKEFHM
CCOc1cc([C@H](Nc2ccc3c(N)[nH+]ccc3c2)C(=O)[N-]S(=O)(=O)c2ccc([O-])cc2)ccc1OC(C)C	ZINC000043063117	562645272	/nfs/dbraw/zinc/64/52/72/562645272.db2.gz	YAUIYXQWYKBVHU-SANMLTNESA-N	-1	3	550.637	5.207	1	30		KKEFHM
CCCCCCCC/C=C/CCCCCCCC(=O)Oc1cc([O-])c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O	ZINC000043365887	562648059	/nfs/dbraw/zinc/64/80/59/562648059.db2.gz	PVJMICZIWYJLLA-RJBGXBGNSA-N	-1	3	536.709	8.747	1	30		KKEFHM
O=C(CCCCC[C@H](NC(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(-c2ccccc2)cc1)N[O-]	ZINC000043543970	562649568	/nfs/dbraw/zinc/64/95/68/562649568.db2.gz	GCVYRYFFZDJEGL-DEOSSOPVSA-N	-1	3	538.442	5.309	1	30		KKEFHM
C=C1C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H]1C(C)=CC[C@H]2C(=O)C(OC)=CC(=O)[C@@]12c1cc(=O)c2c([O-])cc(OC)cc2o1	ZINC000049777704	562680437	/nfs/dbraw/zinc/68/04/37/562680437.db2.gz	NWFRZQVUFDCHQD-CTGSLWKSSA-N	-1	3	614.735	6.377	1	30		KKEFHM
COC(=O)/C(C)=C\C[C@@]12OC(C)(C)[C@@H]3C[C@@H](C=C4C(=O)c5c([O-])c6c(c(CC=C(C)C)c5O[C@]431)O[C@](C)(CCC=C(C)C)C=C6)C2=O	ZINC000049780711	562682116	/nfs/dbraw/zinc/68/21/16/562682116.db2.gz	MFUIGIDUBRLELJ-ITGPLMSCSA-N	-1	3	642.789	7.328	1	30		KKEFHM
CC(C)C(=O)c1c([O-])c2c(c3c1O[C@@]1(O)[C@@H]([C@@H](O)C(C)(C)C(=O)C1(C)C)[C@@H]3C(C)C)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]2C(C)C	ZINC000049823134	562687021	/nfs/dbraw/zinc/68/70/21/562687021.db2.gz	MHILVBADXLEDOF-FOPRCATESA-N	-1	3	652.825	6.254	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@@H](C5)CC[C@H]2[C@](C)(C=CC(C)=CC(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049863783	562689290	/nfs/dbraw/zinc/68/92/90/562689290.db2.gz	WNDPKXCADIELCH-CQOBYVOWSA-N	-1	3	679.898	8.183	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@@H](C5)CC[C@H]2[C@](C)(C=CC(C)=CC(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049863783	562689291	/nfs/dbraw/zinc/68/92/91/562689291.db2.gz	WNDPKXCADIELCH-CQOBYVOWSA-N	-1	3	679.898	8.183	1	30		KKEFHM
CCN1CCN(Cc2cccc(-c3cc(-c4ccc(F)cc4[O-])nc(NC(=O)c4ccco4)c3C#N)c2)CC1	ZINC000053314543	562697685	/nfs/dbraw/zinc/69/76/85/562697685.db2.gz	JLOUFXQEQKGJOU-UHFFFAOYSA-N	-1	3	525.584	5.115	1	30		KKEFHM
CSC(C)=NOC(=O)N(C)SN(C(=O)[N-]C(=O)c1ccccc1Cl)c1ccc(C(F)(F)F)c(Br)c1	ZINC000060178878	562702587	/nfs/dbraw/zinc/70/25/87/562702587.db2.gz	WOUZAQDRZUFULJ-LUOAPIJWSA-N	-1	3	613.865	6.806	1	30		KKEFHM
O=C(/C=C/c1cccc(OC/C=C/c2ccccc2)c1)N[C@@H](CCCCCC(=O)N[O-])C(=O)Nc1cccc2cccnc21	ZINC000064573552	562708701	/nfs/dbraw/zinc/70/87/01/562708701.db2.gz	AAQDZOUAUUFNTR-PRGQVOBMSA-N	-1	3	592.696	5.920	1	30		KKEFHM
Cc1ccc(-c2nc3c(c(=O)[n-]2)[C@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N3c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000066102792	562711476	/nfs/dbraw/zinc/71/14/76/562711476.db2.gz	PPWTYAVVFQYKOW-RUZDIDTESA-N	-1	3	607.519	6.403	1	30		KKEFHM
COc1ccc(C(=O)/C=C/c2ccc([O-])c(CN3CCN(c4ccnc5cc(Cl)ccc54)CC3)c2)c(OC)c1	ZINC000071316138	562717877	/nfs/dbraw/zinc/71/78/77/562717877.db2.gz	OVOHORZSLVQNDN-ONNFQVAWSA-N	-1	3	544.051	5.829	1	30		KKEFHM
CNC(=O)/C(CCCCC[C@@H](C(=O)Nc1ccccc1)N(Cc1ccccc1)Cc1ccccc1)=N\[O-]	ZINC000071317596	562718250	/nfs/dbraw/zinc/71/82/50/562718250.db2.gz	OVHRAKAWLQRSHS-IWFGRPCPSA-N	-1	3	500.643	5.223	1	30		KKEFHM
COc1ccc(C(=O)/C=C/c2cc(CN3CCN(c4ccnc5cc(Cl)ccc54)CC3)c([O-])c(OC)c2)c(OC)c1	ZINC000071318665	562718622	/nfs/dbraw/zinc/71/86/22/562718622.db2.gz	AHMGYTNWXZZFLL-RUDMXATFSA-N	-1	3	574.077	5.838	1	30		KKEFHM
N/C(=N\[O-])c1ccc(S(=O)(=O)C2=C(c3ccc(Nc4ccc(/C(N)=N/O)cc4)cc3)OC(c3ccccc3)(c3ccccc3)C2)cc1	ZINC000072122094	562724357	/nfs/dbraw/zinc/72/43/57/562724357.db2.gz	KBTOEOJFNVQJFN-UHFFFAOYSA-N	-1	3	645.741	6.126	1	30		KKEFHM
C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N\[O-])cc2)=C(c2ccc(C(F)(F)F)cc2)O1	ZINC000072170941	562730394	/nfs/dbraw/zinc/73/03/94/562730394.db2.gz	GYLDZKLYVCRDCO-VWLOTQADSA-N	-1	3	516.541	5.364	1	30		KKEFHM
N#Cc1c(=O)n(Cc2ccccc2)c(SCC(=O)Nn2c(COc3ccc(Cl)cc3Cl)nc3ccccc3c2=O)nc1-c1ccc([O-])cc1	ZINC000084710862	562750551	/nfs/dbraw/zinc/75/05/51/562750551.db2.gz	MTZTVTGHKHTABZ-UHFFFAOYSA-N	-1	3	711.587	5.994	1	30		KKEFHM
Cn1c(SCC(=O)[N-]n2c(COc3ccc(Cl)cc3Cl)nc3ccccc3c2=O)nc(-c2ccc(Cl)cc2)c(C#N)c1=O	ZINC000084723616	562751131	/nfs/dbraw/zinc/75/11/31/562751131.db2.gz	KCNZZQHWXKAZTQ-UHFFFAOYSA-N	-1	3	653.935	5.430	1	30		KKEFHM
N#Cc1c(Nc2ccc(Cl)cc2)nc(SCC(=O)Nn2c(COc3ccc(Cl)cc3Cl)nc3ccccc3c2=O)nc1-c1ccc([O-])cc1	ZINC000095551697	562760391	/nfs/dbraw/zinc/76/03/91/562760391.db2.gz	POQLRLYKAREJJD-UHFFFAOYSA-N	-1	3	731.021	7.576	1	30		KKEFHM
COc1cc2c(cc1C)c(O)cc1c2C=C(C2=C3C(=CC(=O)c4cc(C)c([O-])cc43)C(C)(C)C2=O)C(=O)C1(C)C	ZINC000095552939	562760790	/nfs/dbraw/zinc/76/07/90/562760790.db2.gz	XHMHATOOSRPEOR-UHFFFAOYSA-N	-1	3	534.608	6.306	1	30		KKEFHM
C[C@@H](C(=O)N[O-])N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000095610005	562784148	/nfs/dbraw/zinc/78/41/48/562784148.db2.gz	RBEXYWXIIUYFFI-ZETCQYMHSA-N	-1	3	721.342	5.587	1	30		KKEFHM
COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccccc3OCCCCCCCC(=O)N[O-])[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000096286405	562796136	/nfs/dbraw/zinc/79/61/36/562796136.db2.gz	DTJYXVIPQULTRZ-HYYVTZFESA-N	-1	3	648.709	5.451	1	30		KKEFHM
COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(OCCCCCCC(=O)N[O-])cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000096286410	562796141	/nfs/dbraw/zinc/79/61/41/562796141.db2.gz	WCTKRCRAZCFSSL-YZCUKXFTSA-N	-1	3	634.682	5.061	1	30		KKEFHM
CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\[O-])C[C@@H]12)c1cccc(C)c1	ZINC000096932707	562803502	/nfs/dbraw/zinc/80/35/02/562803502.db2.gz	YEHUZYGWFHPHCO-OUBNOZQMSA-N	-1	3	627.788	7.720	1	30		KKEFHM
CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\[O-])C[C@@H]12)c1ccccc1	ZINC000096932699	562803537	/nfs/dbraw/zinc/80/35/37/562803537.db2.gz	SINFUWYDGMUNGG-SXTFYJMJSA-N	-1	3	613.761	7.412	1	30		KKEFHM
CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\[O-])C[C@@H]12)c1cccc(Cl)c1	ZINC000096935430	562804120	/nfs/dbraw/zinc/80/41/20/562804120.db2.gz	DPGIQLDQKWBBRE-SSXXBGJTSA-N	-1	3	648.206	8.065	1	30		KKEFHM
CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\[O-])C[C@@H]12)c1cccc(Cl)c1	ZINC000096935429	562804128	/nfs/dbraw/zinc/80/41/28/562804128.db2.gz	DPGIQLDQKWBBRE-RPNNYWJASA-N	-1	3	648.206	8.065	1	30		KKEFHM
CCCCCC=Nc1ccc2c(c1)nc(CCCC)n2Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1	ZINC000098084622	562805720	/nfs/dbraw/zinc/80/57/20/562805720.db2.gz	ORBZJWPBIYQQMP-UZWMFBFFSA-N	-1	3	505.670	7.557	1	30		KKEFHM
CCCCCC=Nc1ccc2c(c1)nc(CCCC)n2Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1	ZINC000098084622	562805721	/nfs/dbraw/zinc/80/57/21/562805721.db2.gz	ORBZJWPBIYQQMP-UZWMFBFFSA-N	-1	3	505.670	7.557	1	30		KKEFHM
Cc1c([O-])c([C@H](CCc2ccccc2)C2C(=O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c(C(=O)CCc2ccccc2)c1O	ZINC000101199910	562809964	/nfs/dbraw/zinc/80/99/64/562809964.db2.gz	OHJVUGQZZLSHQV-QHCPKHFHSA-N	-1	3	570.682	6.660	1	30		KKEFHM
O=C(CCCCCCNC(=O)c1ccc(N(c2cccc(Cl)c2)c2cccc(Cl)c2)cc1)N[O-]	ZINC000118363229	562830279	/nfs/dbraw/zinc/83/02/79/562830279.db2.gz	GUBCJYLNPRSJAB-UHFFFAOYSA-N	-1	3	500.426	6.649	1	30		KKEFHM
COC(c1ccc(C(=O)NCCCCCCC(=O)N[O-])cc1)(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1	ZINC000118356363	562830284	/nfs/dbraw/zinc/83/02/84/562830284.db2.gz	XMVMDNMZOYIMDX-UHFFFAOYSA-N	-1	3	532.534	5.367	1	30		KKEFHM
C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CCC(C(F)(F)F)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1	ZINC000145617246	562837408	/nfs/dbraw/zinc/83/74/08/562837408.db2.gz	GOLFMGJVINWTIM-CQSZACIVSA-N	-1	3	569.543	5.415	1	30		KKEFHM
Cn1cc2c(n1)nc(NCCCCNC(=S)Nc1ccc([C@H]3c4ccc(O)cc4OC4=CC(=O)C=CC43)c(C(=O)[O-])c1)n1nc(-c3ccco3)nc21	ZINC000150546030	562844412	/nfs/dbraw/zinc/84/44/12/562844412.db2.gz	INPOPWSUUIWRAQ-YUDQIZAISA-N	-1	3	717.768	5.017	1	30		KKEFHM
Cn1cc2c(n1)nc(NCCCCNC(=S)Nc1ccc([C@H]3c4ccc(O)cc4OC4=CC(=O)C=CC43)c(C(=O)[O-])c1)n1nc(-c3ccco3)nc21	ZINC000150546027	562844427	/nfs/dbraw/zinc/84/44/27/562844427.db2.gz	INPOPWSUUIWRAQ-WVXBCFDCSA-N	-1	3	717.768	5.017	1	30		KKEFHM
O=C(CCCCC[C@@H]1c2nc(Cc3ccccc3)c(o2)[C@H](Cc2ccccc2)CCn2cc(nn2)CCCN1Cc1ccccc1)N[O-]	ZINC000169291905	562851974	/nfs/dbraw/zinc/85/19/74/562851974.db2.gz	JPFZLPCINWHUKQ-MSEJLTFDSA-N	-1	3	646.836	7.219	1	30		KKEFHM
C[C@]1(c2ccc(Br)cc2)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\[O-])cc2)O1	ZINC000299832938	562886024	/nfs/dbraw/zinc/88/60/24/562886024.db2.gz	GYQRESDPYBQADU-XMMPIXPASA-N	-1	3	531.403	5.161	1	30		KKEFHM
C[C@]1(c2ccc(-c3ccccc3C#N)cc2)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\[O-])cc2)O1	ZINC000299838282	562887793	/nfs/dbraw/zinc/88/77/93/562887793.db2.gz	UJROSGGUBLVXJZ-WJOKGBTCSA-N	-1	3	553.615	5.937	1	30		KKEFHM
COc1ccc(-c2csc(/N=C/c3cc(/C=C/C(=O)c4cccs4)cc(C(C)(C)C)c3[O-])n2)cc1OC	ZINC000473088990	562897349	/nfs/dbraw/zinc/89/73/49/562897349.db2.gz	PVEKBIVAFIUIKW-RWEAKBJWSA-N	-1	3	532.687	7.539	1	30		KKEFHM
COc1ccc(C(=O)/C=C/c2cc(/C=N/c3nc(-c4ccc(OC)c(OC)c4)cs3)c([O-])c(C(C)(C)C)c2)cc1	ZINC000473092089	562897757	/nfs/dbraw/zinc/89/77/57/562897757.db2.gz	ZUPZFKPBWHKQNN-XCIFFSFBSA-N	-1	3	556.684	7.486	1	30		KKEFHM
Cn1cc2c([n-]1)nc(=NC(=Nc1cccc(C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1)n1nc(-c3ccco3)nc21	ZINC000473119641	562899268	/nfs/dbraw/zinc/89/92/68/562899268.db2.gz	BCDSKVUYBBUTTM-UHFFFAOYSA-N	-1	3	585.472	5.942	1	30		KKEFHM
Cc1cc([O-])c2c(c1)[C@@H]1OC(=O)[C@H](Cc3ccc(NC(=O)COc4ccc5ccccc5c4)cc3)N1C1=C2C(=O)c2cccc(O[C@H]3C[C@@H](O)[C@@H](O)[C@H](C)O3)c2C1=O	ZINC000473121979	562899483	/nfs/dbraw/zinc/89/94/83/562899483.db2.gz	IMROACHYBVZGDE-HRSHRPESSA-N	-1	3	782.802	5.379	1	30		KKEFHM
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C(=O)N(C)[O-])CC[C@]23C)C1(C)C	ZINC000653766374	562911637	/nfs/dbraw/zinc/91/16/37/562911637.db2.gz	UURISSBMZLTZGC-LVNUYWAMSA-N	-1	3	527.790	7.567	1	30		KKEFHM
C=C(C)[C@@H]1CC[C@]2(C(=O)N(C)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12	ZINC000653787739	562912467	/nfs/dbraw/zinc/91/24/67/562912467.db2.gz	PNJHTYUXBAZQFD-ODLWIBRJSA-N	-1	3	527.790	7.423	1	30		KKEFHM
C=C(C)[C@@H]1CC[C@]2(C(=O)[N-]OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12	ZINC000653787775	562912505	/nfs/dbraw/zinc/91/25/05/562912505.db2.gz	XJRLZPIYBQHONB-ODLWIBRJSA-N	-1	3	527.790	7.253	1	30		KKEFHM
CCCCC[C@H]1C#CO[C@@H](CCCCCCCc2cccc(NC[C@H](C)O)c2)CC(=O)CCc2ccc(OC)c(c2)OCc2ccc3c(ccc([O-])c31)c2	ZINC000085596080	291933933	/nfs/dbraw/zinc/93/39/33/291933933.db2.gz	PXTCDDXGWVBBNW-GCLMYXGOSA-N	-1	3	733.990	10.424	1	30	biogenic,in-vitro	KKEFHM
CCC[C@]1(O)[C@@H]2CCC(=O)[C@H](C2)Cc2cccc(c2)C2(CCCCC2)[C@H](O)/C=C2/C[C@H](c3cc(O)cc(CO)c3)C#C[C@@H]3CC(=O)Oc4cc([O-])c(cc43)C[C@H]1OC2=O	ZINC000150344498	291939297	/nfs/dbraw/zinc/93/92/97/291939297.db2.gz	PVWZOEOHAJBFSC-ZPTYESCASA-N	-1	3	802.961	6.890	1	30	biogenic,in-vitro	KKEFHM
CCNc1cccc(CCCC[C@H]2C=CC(=O)C[C@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3ccc4c(c([O-])cc5c4c3C=C[C@H]5C)CC#CO2)c1	ZINC000085595933	291942541	/nfs/dbraw/zinc/94/25/41/291942541.db2.gz	PVBPDYQCHVXPSR-LNIXQXTQSA-N	-1	3	751.964	10.536	1	30	biogenic,in-vitro	KKEFHM
COc1cc([O-])c2c(c1C(=O)/C=C/c1ccc(O)cc1)O[C@@H](c1ccc(O)cc1)[C@H]1[C@H]2C[C@H](CCc2ccc(O)cc2)O[C@@H]1c1ccc(O)cc1	ZINC000049841486	291971526	/nfs/dbraw/zinc/97/15/26/291971526.db2.gz	UJEBJUQQVRWYAG-SOFNOPICSA-N	-1	3	686.757	8.116	1	30	biogenic,in-vitro	KKEFHM
COc1ccc2cc1OCc1ccc3c(c([O-])cc4c3c1C=C[C@H]4C)CC#CO[C@@H](C[C@@H]1CC(=O)C=C[C@H]1CCCCc1ccccc1)CC(=O)CC2	ZINC000085595971	291981334	/nfs/dbraw/zinc/98/13/34/291981334.db2.gz	DYJYAOOHUISYBS-RYANWQIMSA-N	-1	3	708.895	10.105	1	30	biogenic,in-vitro	KKEFHM
N=NC([N-]S(=O)(=O)c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1)Nc1ccc(Cl)cc1	ZINC000006013604	561701913	/nfs/dbraw/zinc/70/19/13/561701913.db2.gz	SKHZKLPXPZDEJB-UHFFFAOYSA-N	-1	3	565.222	5.621	1	30		KKEFHM
Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1[O-]	ZINC000013555543	561718639	/nfs/dbraw/zinc/71/86/39/561718639.db2.gz	LFOATKGEHBUQMH-HSZRJFAPSA-N	-1	3	523.504	8.510	1	30		KKEFHM
CC1=C(CCCCCC(=O)OCc2cc(NC(=O)CN3CCCCC3)cc(Nc3ccnc4cc(Cl)ccc43)c2)C(=O)c2c([O-])cccc2C1=O	ZINC000027426937	561858542	/nfs/dbraw/zinc/85/85/42/561858542.db2.gz	FAIRTFKOJZPOTL-UHFFFAOYSA-N	-1	3	709.243	8.151	1	30		KKEFHM
C[C@@H](O[C@@H]1OCCN(Cc2n[n-]nc2CN2CCC2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000027429933	561859026	/nfs/dbraw/zinc/85/90/26/561859026.db2.gz	BUZFNMDWWXZBPX-MNCIPDHPSA-N	-1	3	587.540	5.865	1	30		KKEFHM
CC[C@@H](c1ccccc1)[C@@H](c1ccc(O)cc1)c1ccc(OCCN(C)CCOCCO/N=C/c2ccc([O-])c(C(N)=O)c2)cc1	ZINC000028225573	561907960	/nfs/dbraw/zinc/90/79/60/561907960.db2.gz	YFIFXXYJJRIEKS-CGQYIYCSSA-N	-1	3	625.766	5.900	1	30		KKEFHM
N#Cc1c([N-]C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)sc2c1C[C@H](c1ccc(O)cc1)CC2	ZINC000029132702	562003390	/nfs/dbraw/zinc/00/33/90/562003390.db2.gz	OGMCFUGKYKHGSN-MRXNPFEDSA-N	-1	3	592.526	5.178	1	30		KKEFHM
COc1ccc(S(=O)(=O)[C@H](CC(=O)N[O-])c2cccc(OCc3ccccc3)c2)cc1OC1CCCC1	ZINC000029391288	562017370	/nfs/dbraw/zinc/01/73/70/562017370.db2.gz	UBTDNVISINZMMM-HHHXNRCGSA-N	-1	3	525.623	5.006	1	30		KKEFHM
O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)[N-]S(=O)(=O)C(F)(F)F	ZINC000034804338	562043229	/nfs/dbraw/zinc/04/32/29/562043229.db2.gz	PEGBWCNPSOYCQX-JOCHJYFZSA-N	-1	3	643.572	5.599	1	30		KKEFHM
CCCCCCCCCCCCc1c(=O)c2c(OC)cc(OC)c(OC)c2oc1-c1ccc([O-])c(O)c1	ZINC000036222876	562051864	/nfs/dbraw/zinc/05/18/64/562051864.db2.gz	CTTZQAWSNNLMNO-UHFFFAOYSA-N	-1	3	512.643	7.360	1	30		KKEFHM
CCCCCCCCCCCCCCOc1c(OC)c(OC)cc2oc(-c3ccc([O-])c(O)c3)cc(=O)c21	ZINC000036241704	562052002	/nfs/dbraw/zinc/05/20/02/562052002.db2.gz	IYOZOJWVQOHWLP-UHFFFAOYSA-N	-1	3	526.670	7.968	1	30		KKEFHM
CCCCCCCCCCCCCCCCCCOc1c(OC)c(OC)cc2oc(-c3ccc([O-])c(O)c3)cc(=O)c21	ZINC000036241678	562052006	/nfs/dbraw/zinc/05/20/06/562052006.db2.gz	XQCLVUBIKNBRPH-UHFFFAOYSA-N	-1	3	582.778	9.529	1	30		KKEFHM
CC(C)[C@@H]([N-]C(=O)Cn1c(=O)c(NC(=O)OCc2ccccc2)cnc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)C(F)(F)F	ZINC000037858614	562062124	/nfs/dbraw/zinc/06/21/24/562062124.db2.gz	IXBVAWGNZNKMKO-OAQYLSRUSA-N	-1	3	666.497	5.969	1	30		KKEFHM
O=C(CCCCCCOc1ccc(N(Cc2ccncc2)C(=O)CCc2c[nH]c3ccccc23)cc1)N[O-]	ZINC000040828430	562080003	/nfs/dbraw/zinc/08/00/03/562080003.db2.gz	JSTQHCMNAAOJKV-UHFFFAOYSA-N	-1	3	514.626	5.564	1	30		KKEFHM
CC(=O)N1c2cccc([O-])c2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(OCc2ccccc2)cc1Cl	ZINC000040880724	562082652	/nfs/dbraw/zinc/08/26/52/562082652.db2.gz	VZBRCRRODKYBEF-LJAQVGFWSA-N	-1	3	517.025	6.788	1	30	in-vitro	KKEFHM
CC(C)=CCC1=C([O-])[C@@]2(C(=O)C(C)C)C(=O)[C@](CC=C(C)C)(C[C@@H](CC=C(C)C)[C@]2(C)CC/C=C(\C)CO)C1=O	ZINC000100042380	560053642	/nfs/dbraw/zinc/05/36/42/560053642.db2.gz	HBIUPVRWLXFZQP-MLWSCOHPSA-N	-1	3	552.796	7.962	1	30	biogenic,in-vitro	KKEFHM
CC(C)=CCC1=C([O-])[C@@]2(CC=C(C)C)C[C@@H](CC=C(C)C)[C@](C)(CC/C=C(\C)CO)[C@@](C(=O)C(C)C)(C1=O)C2=O	ZINC000100042380	560053644	/nfs/dbraw/zinc/05/36/44/560053644.db2.gz	HBIUPVRWLXFZQP-MLWSCOHPSA-N	-1	3	552.796	7.962	1	30	biogenic,in-vitro	KKEFHM
CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@]2(C/C=C(\C)CO)C(=O)C(CC=C(C)C)=C([O-])[C@@]1(C(=O)C(C)C)C2=O	ZINC000100042395	560053656	/nfs/dbraw/zinc/05/36/56/560053656.db2.gz	RVQVTDFIZLGSPU-WQNTWZTNSA-N	-1	3	552.796	7.962	1	30	biogenic,in-vitro	KKEFHM
CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]2(C/C=C(\C)CO)C(=O)[C@]1(C(=O)C(C)C)C(=O)C(CC=C(C)C)=C2[O-]	ZINC000100042395	560053658	/nfs/dbraw/zinc/05/36/58/560053658.db2.gz	RVQVTDFIZLGSPU-WQNTWZTNSA-N	-1	3	552.796	7.962	1	30	biogenic,in-vitro	KKEFHM
CC(C)=CCC[C@@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C([O-])[C@]1(C(=O)C(C)C)C2=O	ZINC000044675967	560085260	/nfs/dbraw/zinc/08/52/60/560085260.db2.gz	IWBJJCOKGLUQIZ-WPOGHTEWSA-N	-1	3	536.797	8.990	1	30	biogenic,in-vitro	KKEFHM
CC(C)=CCC[C@@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C(=O)C(CC=C(C)C)=C2[O-]	ZINC000044675967	560085261	/nfs/dbraw/zinc/08/52/61/560085261.db2.gz	IWBJJCOKGLUQIZ-WPOGHTEWSA-N	-1	3	536.797	8.990	1	30	biogenic,in-vitro	KKEFHM
CCCCCCCC/C=C\CCCCCCCCOc1cc([O-])c2c(c1)O[C@@H](c1ccc(OC)c(O)c1)CC2=O	ZINC000043285177	562647402	/nfs/dbraw/zinc/64/74/02/562647402.db2.gz	BKKFBXLJXKRVEF-VBIORDRPSA-N	-1	3	552.752	9.229	1	30		KKEFHM
CCCCCCCCCCCCCCCCC(=O)Oc1cc([O-])c2c(c1)O[C@@H](c1ccc(O)cc1)CC2=O	ZINC000043365979	562648084	/nfs/dbraw/zinc/64/80/84/562648084.db2.gz	CDYAYMBWUJDEBW-GDLZYMKVSA-N	-1	3	524.698	8.581	1	30		KKEFHM
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CNc1ccc(Cc2nnn[n-]2)cc1	ZINC000043450435	562648564	/nfs/dbraw/zinc/64/85/64/562648564.db2.gz	QRKIZZRPTVWFRB-UHFFFAOYSA-N	-1	3	557.261	5.577	1	30		KKEFHM
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CNc1ccc(Cc2nn[n-]n2)cc1	ZINC000043450435	562648565	/nfs/dbraw/zinc/64/85/65/562648565.db2.gz	QRKIZZRPTVWFRB-UHFFFAOYSA-N	-1	3	557.261	5.577	1	30		KKEFHM
CCC[C@H](C(=O)N[O-])[C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(-c3cccc(F)c3)c2)C1=O	ZINC000043523585	562648821	/nfs/dbraw/zinc/64/88/21/562648821.db2.gz	GUMXLOSQVVGJSN-VJGNERBWSA-N	-1	3	525.665	5.074	1	30		KKEFHM
CCCCCCCCCCCCCCCCCC(=O)Oc1cc([O-])c2c(c1)O[C@H](c1ccc(OC)c(O)c1)CC2=O	ZINC000044280186	562652799	/nfs/dbraw/zinc/65/27/99/562652799.db2.gz	CPCDQXFVKLNRGH-HKBQPEDESA-N	-1	3	568.751	8.980	1	30		KKEFHM
CCCCCCCCCCCC(=O)Oc1cc([O-])c2c(c1)O[C@H](c1ccc3c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@@H](CO)O3)[C@@H](O)C2=O	ZINC000049683001	562669223	/nfs/dbraw/zinc/66/92/23/562669223.db2.gz	JWORRUYJWRDLNJ-RXJSGBQWSA-N	-1	3	664.748	6.483	1	30		KKEFHM
CCCCCCCCCCCCCCCC(=O)Oc1cc([O-])c2c(c1)O[C@H](c1ccc3c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@@H](CO)O3)[C@@H](O)C2=O	ZINC000049780480	562681763	/nfs/dbraw/zinc/68/17/63/562681763.db2.gz	WPMFGQMFMQCEOY-PXKGFRMJSA-N	-1	3	720.856	8.044	1	30		KKEFHM
Cc1cccc(C)c1CN[C@@]1(CCC(C)(C)C)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000049803473	562686110	/nfs/dbraw/zinc/68/61/10/562686110.db2.gz	RGLQGAGMCKRGQY-XIFFEERXSA-N	-1	3	650.823	5.551	1	30		KKEFHM
CC(C)C(=O)c1c([O-])c2c(c3c1O[C@@]1(O)[C@@H]([C@H](O)C(C)(C)C(=O)C1(C)C)[C@@H]3C(C)C)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]2C(C)C	ZINC000049823133	562687010	/nfs/dbraw/zinc/68/70/10/562687010.db2.gz	MHILVBADXLEDOF-LETZLIQYSA-N	-1	3	652.825	6.254	1	30		KKEFHM
CC(C)(C)CC[C@]1(NCc2ccc3ccccc3c2)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000049841587	562688516	/nfs/dbraw/zinc/68/85/16/562688516.db2.gz	RVURIWXELGVDTH-DHUJRADRSA-N	-1	3	672.829	6.087	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@@H](C5)CC[C@H]2[C@](C)(C=CC=C(CCC)C(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O	ZINC000049863746	562689199	/nfs/dbraw/zinc/68/91/99/562689199.db2.gz	ITAYMVKASMKNTO-FHNVKRQMSA-N	-1	3	707.952	8.963	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@@H](C5)CC[C@H]2[C@](C)(C=CC=C(CCC)C(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O	ZINC000049863746	562689200	/nfs/dbraw/zinc/68/92/00/562689200.db2.gz	ITAYMVKASMKNTO-FHNVKRQMSA-N	-1	3	707.952	8.963	1	30		KKEFHM
Cc1cc(C)c(CN[C@@]2(CCC(C)(C)C)c3ccccc3C(=O)C(C3=NS(=O)(=O)c4cc(NS(C)(=O)=O)ccc4[N-]3)C2=O)c(C)c1	ZINC000049889133	562691798	/nfs/dbraw/zinc/69/17/98/562691798.db2.gz	ZSWLKWVVIOMROC-UMSFTDKQSA-N	-1	3	664.850	5.859	1	30		KKEFHM
COC(=O)c1c(C#N)c(OC)cc([O-])c1CSC[C@@H](CN1CCCCC1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1	ZINC000049917981	562694296	/nfs/dbraw/zinc/69/42/96/562694296.db2.gz	ATAKTGQQKNDKTJ-LJQANCHMSA-N	-1	3	597.719	5.291	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@@H](C5)CC[C@H]2[C@](C)(C=CC=C(C)C(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049952355	562695819	/nfs/dbraw/zinc/69/58/19/562695819.db2.gz	UNCVXXVJJXJZII-KEGSXLOTSA-N	-1	3	679.898	8.183	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@@H](C5)CC[C@H]2[C@](C)(C=CC=C(C)C(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049952355	562695820	/nfs/dbraw/zinc/69/58/20/562695820.db2.gz	UNCVXXVJJXJZII-KEGSXLOTSA-N	-1	3	679.898	8.183	1	30		KKEFHM
CCN[C@H](CC)C(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3[O-])nc(NC(=O)c3ccco3)c2C#N)c1	ZINC000053294197	562697246	/nfs/dbraw/zinc/69/72/46/562697246.db2.gz	AVCJOCSUKBWQLN-HSZRJFAPSA-N	-1	3	527.556	5.304	1	30		KKEFHM
CC(C)(C)CC[C@@]1(NCc2ccccc2C(F)(F)F)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000058523353	562698548	/nfs/dbraw/zinc/69/85/48/562698548.db2.gz	MBTMOQWJAAIQKA-WJOKGBTCSA-N	-1	3	690.766	5.953	1	30		KKEFHM
CSC(C)=NOC(=O)N(C)SN(C([O-])=NC(=O)c1c(F)cccc1F)c1ccc(OC(F)(F)F)cc1	ZINC000060178893	562702594	/nfs/dbraw/zinc/70/25/94/562702594.db2.gz	QKOKKPMPCOCMKN-LUOAPIJWSA-N	-1	3	552.503	5.548	1	30		KKEFHM
CSC(C)=NOC(=O)N(C)SN(C(=O)[N-]C(=O)c1c(F)cccc1F)c1ccc(OC(F)(F)F)cc1	ZINC000060178893	562702595	/nfs/dbraw/zinc/70/25/95/562702595.db2.gz	QKOKKPMPCOCMKN-LUOAPIJWSA-N	-1	3	552.503	5.548	1	30		KKEFHM
CSC(C)=NOC(=O)N(C)SN(C([O-])=NC(=O)c1c(F)cccc1F)c1ccc(C(F)(F)F)cc1	ZINC000060178892	562702613	/nfs/dbraw/zinc/70/26/13/562702613.db2.gz	BVHPFRQIUKTUFU-LUOAPIJWSA-N	-1	3	536.504	5.668	1	30		KKEFHM
CSC(C)=NOC(=O)N(C)SN(C(=O)[N-]C(=O)c1c(F)cccc1F)c1ccc(C(F)(F)F)cc1	ZINC000060178892	562702614	/nfs/dbraw/zinc/70/26/14/562702614.db2.gz	BVHPFRQIUKTUFU-LUOAPIJWSA-N	-1	3	536.504	5.668	1	30		KKEFHM
C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N/[O-])cc2)=C(c2ccc(Nc3ccc(/C(N)=N/O)cc3)cc2)O1	ZINC000064361563	562704801	/nfs/dbraw/zinc/70/48/01/562704801.db2.gz	RBJXAJZPNPXNKT-JGCGQSQUSA-N	-1	3	597.697	5.183	1	30		KKEFHM
CC(C)CCOc1ccc(/C=C/C(=O)N[C@@H](CCCCCC(=O)N[O-])C(=O)Nc2cccc3cccnc32)cc1	ZINC000064559548	562708458	/nfs/dbraw/zinc/70/84/58/562708458.db2.gz	ZCPMVRPZOWWPLC-QSRNJPNHSA-N	-1	3	546.668	5.252	1	30		KKEFHM
CC(C)CCOc1cccc(/C=C/C(=O)N[C@@H](CCCCCC(=O)N[O-])C(=O)Nc2cccc3cccnc32)c1	ZINC000064560007	562708468	/nfs/dbraw/zinc/70/84/68/562708468.db2.gz	KTNKTHFSDUVHJX-HPEPBICTSA-N	-1	3	546.668	5.252	1	30		KKEFHM
C=C(C)[C@H](C)c1cc(C(=O)/C=C/c2cc(Br)c(O[C@H]3CCCCO3)cc2[O-])ccc1OC	ZINC000071334680	562719657	/nfs/dbraw/zinc/71/96/57/562719657.db2.gz	LYOJJHXOAUWTNC-XJRVITLXSA-N	-1	3	501.417	6.644	1	30		KKEFHM
CCCCCCCCCCCCCCCCOc1c(O)cc(/C=C/c2cc(O)c([O-])c(O)c2)cc1O	ZINC000072116358	562723076	/nfs/dbraw/zinc/72/30/76/562723076.db2.gz	UGVONDVNPRKCRD-WUKNDPDISA-N	-1	3	500.676	8.245	1	30		KKEFHM
N/C(=N\[O-])c1ccc(C2=C(S(=O)(=O)c3ccc(Nc4ccccc4/C(N)=N/O)cc3)CC(c3ccccc3)(c3ccccc3)O2)cc1	ZINC000072129969	562726653	/nfs/dbraw/zinc/72/66/53/562726653.db2.gz	ZIHUEQSRTUZIMO-UHFFFAOYSA-N	-1	3	645.741	6.126	1	30		KKEFHM
CCOC(=S)SC(C(=O)C=Cc1ccc(OC)c(OC)c1)=C([O-])C=Cc1ccc(OC)c(OC)c1	ZINC000072172084	562730618	/nfs/dbraw/zinc/73/06/18/562730618.db2.gz	QZLWWLNQEVOEGJ-UJCWQVJTSA-N	-1	3	516.637	5.841	1	30		KKEFHM
C/C(=N\NS(=O)(=O)c1ccc(C)cc1)[C@H](CN1CCCCC1)[C@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O	ZINC000073298288	562737766	/nfs/dbraw/zinc/73/77/66/562737766.db2.gz	ROMVJTUNRSGIAY-BMDRNRSDSA-N	-1	3	573.715	5.395	1	30		KKEFHM
COc1cc(OC)c(/C=C/C(=O)C(=Cc2ccc([O-])c(OC)c2)C(=O)/C=C/c2c(OC)cc(OC)cc2OC)c(OC)c1	ZINC000084654294	562747230	/nfs/dbraw/zinc/74/72/30/562747230.db2.gz	XVSJWRNAQBFPFF-JOWSBRCASA-N	-1	3	590.625	5.401	1	30		KKEFHM
N#Cc1c(Nc2ccc(Cl)cc2)nc(SCC(=O)[N-]n2c(COc3ccc(Cl)cc3Cl)nc3ccccc3c2=O)nc1-c1ccccc1	ZINC000084713168	562750867	/nfs/dbraw/zinc/75/08/67/562750867.db2.gz	PDGFRGJNSDXSBY-UHFFFAOYSA-N	-1	3	715.022	7.870	1	30		KKEFHM
O=C([N-]S(=O)(=O)CC12C[C@H]3C[C@@H](C1)CC(NC(=O)C1CC1)(C3)C2)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1	ZINC000084730314	562751603	/nfs/dbraw/zinc/75/16/03/562751603.db2.gz	OYGGOERWKSDPFT-SCAUKORFSA-N	-1	3	701.333	6.829	1	30		KKEFHM
Clc1ccc(Cn2c(C=N[N-]c3nc4ccsc4c(N4CCOCC4)n3)nc3ccccc32)cc1	ZINC000084732551	562751811	/nfs/dbraw/zinc/75/18/11/562751811.db2.gz	OMXAMGVPMDXNHB-JFLMPSFJSA-N	-1	3	504.019	5.025	1	30		KKEFHM
O=C([N-]S(=O)(=O)CC12C[C@H]3C[C@@H](C1)CC(OCCN1CCOCC1)(C3)C2)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1	ZINC000084732678	562751863	/nfs/dbraw/zinc/75/18/63/562751863.db2.gz	JUSSDUSHYLMUFB-JXRDSNDXSA-N	-1	3	747.402	6.651	1	30		KKEFHM
O=C(CCCCC[C@@H]1c2nc(Cc3ccccc3)c(o2)[C@@H](Cc2ccccc2)CCCCn2cc(nn2)CCCN1Cc1ccccc1)N[O-]	ZINC000095559559	562762760	/nfs/dbraw/zinc/76/27/60/562762760.db2.gz	UYJXMQDQMVVXSA-FOYYQAIFSA-N	-1	3	674.890	7.999	1	30		KKEFHM
CCCCCCCCCCCCCCCC[N+](C)(C)CCCCOc1cc([O-])c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O	ZINC000095563151	562763930	/nfs/dbraw/zinc/76/39/30/562763930.db2.gz	QEPWTEFGJCGTQB-UHFFFAOYSA-O	-1	3	594.857	8.898	1	30		KKEFHM
N#Cc1cc(S(=O)(=O)[N-]c2ncc(Cl)s2)ccc1Oc1ccc(F)cc1-c1ccc(N)nc1	ZINC000095583658	562773016	/nfs/dbraw/zinc/77/30/16/562773016.db2.gz	ZTXNXQPNWITAID-UHFFFAOYSA-N	-1	3	501.952	5.045	1	30		KKEFHM
C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1	ZINC000095573935	562769787	/nfs/dbraw/zinc/76/97/87/562769787.db2.gz	UMQDSQPGKGJAGO-KRWDZBQOSA-N	-1	3	647.617	5.376	1	30		KKEFHM
COc1ccc(C[C@H](OC(=O)/C=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C(=O)N[O-])cc1OC	ZINC000095586747	562774112	/nfs/dbraw/zinc/77/41/12/562774112.db2.gz	IVGTXCKCPLHTEJ-IPXXLZSSSA-N	-1	3	583.637	5.535	1	30		KKEFHM
C=C(C)[C@]12C[C@@H](C)[C@]3(OCc4ccccc4)[C@@H]4C=C(C)C(=O)[C@@]4(O)CC(COC(=O)c4cc(OC)c([O-])cc4I)=C[C@H]3[C@H]1OCO2	ZINC000095614849	562786914	/nfs/dbraw/zinc/78/69/14/562786914.db2.gz	YRKHPRIXSNDBOP-NTKAHUIRSA-N	-1	3	742.603	5.668	1	30		KKEFHM
C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Oc1cc(F)c([O-])c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2	ZINC000096284104	562795060	/nfs/dbraw/zinc/79/50/60/562795060.db2.gz	ACXDGKMEJQEPQL-GGBXHWPASA-N	-1	3	648.680	5.314	1	30		KKEFHM
C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCc1cccc(C(F)(F)F)c1)c1ccc([N-]S(C)(=O)=O)c(F)c1	ZINC000096286060	562795989	/nfs/dbraw/zinc/79/59/89/562795989.db2.gz	KMECXDVTQRTBNN-AWEZNQCLSA-N	-1	3	609.589	6.342	1	30		KKEFHM
C=C[C@@H]1C[C@]1(N[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NCCCC(C)(C)C/C=C\c1cc3c(cc1OC)nc(-c1ccccc1)cc3O2)C(=O)[N-]S(=O)(=O)C1CC1	ZINC000096901507	562797135	/nfs/dbraw/zinc/79/71/35/562797135.db2.gz	GWIXFQKHJAXMMY-DVWHMTKOSA-N	-1	3	810.074	7.961	1	30		KKEFHM
C/C=C/[C@@H]1[C@H]2C[C@@H](C)CC[C@@H]2C(C)=C[C@H]1C(=O)c1c([O-])c(-c2ccc(OCC#N)cc2)cn(CC#N)c1=O	ZINC000096909874	562799767	/nfs/dbraw/zinc/79/97/67/562799767.db2.gz	GCQUXTYQQUYMOS-BAAFBZMWSA-N	-1	3	511.622	5.650	1	30		KKEFHM
C[C@@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)c(Cl)cc1Cl	ZINC000096914383	562800730	/nfs/dbraw/zinc/80/07/30/562800730.db2.gz	BXZFFYGPODQBGJ-CYBMUJFWSA-N	-1	3	512.484	5.621	1	30		KKEFHM
CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\[O-])C[C@@H]12)c1ccc(Br)cc1	ZINC000096935431	562804113	/nfs/dbraw/zinc/80/41/13/562804113.db2.gz	JCFWMJKFVCHXKB-RPNNYWJASA-N	-1	3	692.657	8.174	1	30		KKEFHM
CC[C@H](C)C1=CC(C=CC(=O)c2ccc([O-])cc2)=CC(=CNCCNc2ccnc3cc(Cl)ccc32)C1=O	ZINC000102974491	562813829	/nfs/dbraw/zinc/81/38/29/562813829.db2.gz	YVVZDGCSTIBOMD-OZWLPNQJSA-N	-1	3	528.052	6.400	1	30		KKEFHM
Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(/N=C/c5ccc([O-])cc5O)cc4)nc(N(C)C)n3)ccc12	ZINC000103167031	562814646	/nfs/dbraw/zinc/81/46/46/562814646.db2.gz	BOZBQBCEQNHWST-WKULSOCRSA-N	-1	3	524.537	5.050	1	30		KKEFHM
Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(/N=C/c5ccc(O)cc5[O-])cc4)nc(N(C)C)n3)ccc12	ZINC000103167031	562814647	/nfs/dbraw/zinc/81/46/47/562814647.db2.gz	BOZBQBCEQNHWST-WKULSOCRSA-N	-1	3	524.537	5.050	1	30		KKEFHM
C[C@H]([N-]S(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(OC(F)F)cc3n2C2CCC2)nc1)C(F)(F)F	ZINC000103270476	562822945	/nfs/dbraw/zinc/82/29/45/562822945.db2.gz	ZLGQGMUTVCQNFC-NSHDSACASA-N	-1	3	532.466	5.270	1	30		KKEFHM
CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C([O-])[C@]1(C(=O)C(C)C)C2=O	ZINC000104882825	562825158	/nfs/dbraw/zinc/82/51/58/562825158.db2.gz	KGSZHKRKHXOAMG-QFBSZDFWSA-N	-1	3	536.797	8.990	1	30		KKEFHM
CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C(=O)C(CC=C(C)C)=C2[O-]	ZINC000104882825	562825159	/nfs/dbraw/zinc/82/51/59/562825159.db2.gz	KGSZHKRKHXOAMG-QFBSZDFWSA-N	-1	3	536.797	8.990	1	30		KKEFHM
Cn1cc2c(n1)nc(NCCCCNC(=S)Nc1ccc([C@@H]3c4ccc(O)cc4OC4=CC(=O)C=CC43)c(C(=O)[O-])c1)n1nc(-c3ccco3)nc21	ZINC000150546025	562844425	/nfs/dbraw/zinc/84/44/25/562844425.db2.gz	INPOPWSUUIWRAQ-DJUQAAIZSA-N	-1	3	717.768	5.017	1	30		KKEFHM
Cn1cc2c(n1)nc(NCCCCCNC(=S)Nc1ccc([C@H]3c4ccc(O)cc4OC4=CC(=O)C=CC43)c(C(=O)[O-])c1)n1nc(-c3ccco3)nc21	ZINC000150546036	562844431	/nfs/dbraw/zinc/84/44/31/562844431.db2.gz	ZSATUYYTGUYBSM-WBBHLRKXSA-N	-1	3	731.795	5.407	1	30		KKEFHM
CC(C)(C)[C@@H](NC(=O)[C@@H](CCCc1ccccc1)CC(=O)N[O-])C(=O)NC(C)(c1ccccc1)c1ccccc1	ZINC000213406171	562877181	/nfs/dbraw/zinc/87/71/81/562877181.db2.gz	DJWZYQPRHLAHAP-SVEHJYQDSA-N	-1	3	543.708	5.132	1	30		KKEFHM
CC(C)(C)[C@H](NC(=O)[C@@H](CCCc1ccccc1)CC(=O)N[O-])C(=O)NC(C)(c1ccccc1)c1ccccc1	ZINC000213406104	562877200	/nfs/dbraw/zinc/87/72/00/562877200.db2.gz	DJWZYQPRHLAHAP-ABYGYWHVSA-N	-1	3	543.708	5.132	1	30		KKEFHM
O=C(CCCCCC(=O)Nc1cc2c(ncnc2Nc2ccc(Cl)c(C(F)(F)F)c2)s1)N[O-]	ZINC000299831840	562885735	/nfs/dbraw/zinc/88/57/35/562885735.db2.gz	ZVHADTUWBRWMOQ-UHFFFAOYSA-N	-1	3	501.918	5.502	1	30		KKEFHM
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@H]3[C@@](C)(NC(=O)CCCCCCC(=O)N[O-])[C@H](O)CC[C@@]34C)[C@@H]2[C@H]1C	ZINC000299833451	562886178	/nfs/dbraw/zinc/88/61/78/562886178.db2.gz	YBCYVWWAQQHZRT-PPZGYCOTSA-N	-1	3	612.896	6.899	1	30		KKEFHM
C[C@]1(c2ccc(-c3ccc(/C(N)=N\O)cc3)cc2)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\[O-])cc2)O1	ZINC000299833625	562886206	/nfs/dbraw/zinc/88/62/06/562886206.db2.gz	HWEPTUTWXQFEIW-WJOKGBTCSA-N	-1	3	586.645	5.160	1	30		KKEFHM
C[C@]1(c2ccc(-c3cccc([N+](=O)[O-])c3)cc2)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\[O-])cc2)O1	ZINC000299835066	562886733	/nfs/dbraw/zinc/88/67/33/562886733.db2.gz	KCJMVEJIJXVNGX-SSEXGKCCSA-N	-1	3	573.602	5.974	1	30		KKEFHM
O=C(CCCCCCCC(=O)N1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1)N[O-]	ZINC000299855543	562891690	/nfs/dbraw/zinc/89/16/90/562891690.db2.gz	BHOCOSOMLRVDBJ-QPJJXVBHSA-N	-1	3	543.668	5.791	1	30		KKEFHM
O=C(/C=C(\[O-])C(=O)N1CCN(c2ccc(-n3cccn3)cc2)CC1)c1cc(Cc2cc(F)cc(F)c2)cn(Cc2ccccc2F)c1=O	ZINC000299855769	562891753	/nfs/dbraw/zinc/89/17/53/562891753.db2.gz	GDWSIUSWUUJWSX-ZXSNDDASSA-N	-1	3	653.661	5.064	1	30		KKEFHM
O=C(CCCCCCCC(=O)N1C/C=C/COCc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1)N[O-]	ZINC000299868031	562894988	/nfs/dbraw/zinc/89/49/88/562894988.db2.gz	ZGLMOHGZOVHVIU-VOTSOKGWSA-N	-1	3	543.668	5.538	1	30		KKEFHM
CN1c2ccc(NCc3ccc(-c4noc(CCCCCCC(=O)N[O-])n4)cc3)cc2C(=O)N2CCc3c4cc(O)ccc4[nH]c3[C@@H]12	ZINC000473121163	562899379	/nfs/dbraw/zinc/89/93/79/562899379.db2.gz	FTVNKVXRXIRGTC-UMSFTDKQSA-N	-1	3	635.725	5.681	1	30		KKEFHM
CN1c2ccc(NCc3ccc(NC(=O)CCCCCCC(=O)N[O-])cc3)cc2C(=O)N2CCc3c4cc(O)ccc4[nH]c3[C@@H]12	ZINC000473127569	562899883	/nfs/dbraw/zinc/89/98/83/562899883.db2.gz	WWLROYXCFWQTSZ-XIFFEERXSA-N	-1	3	610.715	5.417	1	30		KKEFHM
COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@@H](CN(C)CC#N)CC4)c3c2)cc(Cl)c1[O-]	ZINC000473215453	562904050	/nfs/dbraw/zinc/90/40/50/562904050.db2.gz	MZCOGFKCFVQDRI-CXGRPWHSSA-N	-1	3	533.072	5.710	1	30		KKEFHM
COc1ncc(-c2ccc3nccc(C#CCN4CCCCC4)c3c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1F	ZINC000653691259	562906805	/nfs/dbraw/zinc/90/68/05/562906805.db2.gz	RUQMDKFNEKYZSA-UHFFFAOYSA-N	-1	3	548.615	5.222	1	30		KKEFHM
CCCCCCCOc1cc([O-])c2c(c1)O[C@H](c1ccc3c(c1)O[C@@H](c1ccc(O)c(OC)c1)[C@@H](CO)O3)[C@@H](O)C2=O	ZINC000653703973	562907617	/nfs/dbraw/zinc/90/76/17/562907617.db2.gz	VIDIHKFKIQDZIJ-CDFDACKPSA-N	-1	3	580.630	5.006	1	30		KKEFHM
CCCCCCCOc1cc([O-])c2c(c1)O[C@H](c1ccc3c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@@H](CO)O3)[C@@H](O)C2=O	ZINC000653703975	562907646	/nfs/dbraw/zinc/90/76/46/562907646.db2.gz	VIDIHKFKIQDZIJ-PNEQTXRNSA-N	-1	3	580.630	5.006	1	30		KKEFHM
COc1cc(CCC[C@H](CC(=O)N[O-])C(=O)N[C@H](C(=O)N[C@@H](C)c2ccccc2)C(C)(C)C)ccc1-c1ccccc1	ZINC000653837916	562914816	/nfs/dbraw/zinc/91/48/16/562914816.db2.gz	PCGCWQHPTVXXQZ-PEQYHHCYSA-N	-1	3	573.734	5.605	1	30		KKEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@]2(CCCC[C@H]31)O[C@@H]2CCc1cc(N)nc(-c2cc(N)nc(C(C)C)c2)c1	ZINC000085593939	565149995	/nfs/dbraw/zinc/14/99/95/565149995.db2.gz	NDZHZLGHLLAKMA-XXVJUQKKSA-N	-1	3	654.764	6.063	1	30	biogenic,in-vitro	KKEFHM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)OC(C)(C)[C@@H]1OC(=O)[C@]2(CCCC[C@H]31)O[C@@H]2CCc1cc(N)nc(-c2cc(N)nc(C(C)C)c2)c1	ZINC000085593939	565150002	/nfs/dbraw/zinc/15/00/02/565150002.db2.gz	NDZHZLGHLLAKMA-XXVJUQKKSA-N	-1	3	654.764	6.063	1	30	biogenic,in-vitro	KKEFHM
CCCCCNc1cc(-c2cc(CC[C@H]3O[C@]3(C)C(=O)O[C@@H]3Cc4c([O-])c5c(=O)cc(C)oc5cc4OC3(C)C)cc(N)n2)ccn1	ZINC000085594028	565150966	/nfs/dbraw/zinc/15/09/66/565150966.db2.gz	FROOKVCBOSIEMF-PQUNRTFBSA-N	-1	3	642.753	5.864	1	30	biogenic,in-vitro	KKEFHM
CCCCCNc1cc(-c2cc(CC[C@H]3O[C@]3(C)C(=O)O[C@@H]3Cc4c(cc5oc(C)cc([O-])c-5c4=O)OC3(C)C)cc(N)n2)ccn1	ZINC000085594028	565150970	/nfs/dbraw/zinc/15/09/70/565150970.db2.gz	FROOKVCBOSIEMF-PQUNRTFBSA-N	-1	3	642.753	5.864	1	30	biogenic,in-vitro	KKEFHM
CCCC[C@@H]1C[C@H]2C(=O)C=C([O-])CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3)C#C[C@@H]2C[C@@H](Cc2ccnc(NCCCO)c2)C1	ZINC000085631458	565164534	/nfs/dbraw/zinc/16/45/34/565164534.db2.gz	PQXINHFRUQSIDD-HDKYUSRHSA-N	-1	3	650.860	7.282	1	30	biogenic,in-vitro	KKEFHM
CCCC[C@@H]1C[C@H]2C([O-])=CC(=O)CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3)C#C[C@@H]2C[C@@H](Cc2ccnc(NCCCO)c2)C1	ZINC000085631458	565164537	/nfs/dbraw/zinc/16/45/37/565164537.db2.gz	PQXINHFRUQSIDD-HDKYUSRHSA-N	-1	3	650.860	7.282	1	30	biogenic,in-vitro	KKEFHM
CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C([O-])[C@@]1(C(=O)C(C)C)C2=O	ZINC000100773579	571818464	/nfs/dbraw/zinc/81/84/64/571818464.db2.gz	KGSZHKRKHXOAMG-OJCNYLSASA-N	-1	3	536.797	8.990	1	30	endogenous,in-man	KKEFHM
CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C(=O)C(CC=C(C)C)=C2[O-]	ZINC000100773579	571818465	/nfs/dbraw/zinc/81/84/65/571818465.db2.gz	KGSZHKRKHXOAMG-OJCNYLSASA-N	-1	3	536.797	8.990	1	30	endogenous,in-man	KKEFHM
CO[C@]12C=C3C(=O)c4c([O-])c(CC=C(C)C)c5c(c4O[C@]34[C@H](C1)C(C)(C)O[C@]4(CC=C(C)C)C2=O)C(C)(C)[C@@H](C)O5	ZINC000044351784	291963601	/nfs/dbraw/zinc/96/36/01/291963601.db2.gz	JXVGZQWFGMBBFV-UORHYOFISA-N	-1	3	562.703	6.091	1	30	biogenic,in-vitro	KKEFHM
O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc([C@]([O-])(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)cc1	ZINC000014976891	561752255	/nfs/dbraw/zinc/75/22/55/561752255.db2.gz	XUVYNXAYRAIJTP-OAHLLOKOSA-N	-1	3	581.350	6.027	1	30		KKEFHM
O=C(CCCCCCC(=O)Nc1ccc([C@H]2O[C@@H](CSc3ccncc3)C[C@@H](c3ccccc3)O2)cc1)N[O-]	ZINC000014978683	561752655	/nfs/dbraw/zinc/75/26/55/561752655.db2.gz	YHZHZWCKPHXEEJ-DILYWTOHSA-N	-1	3	549.693	6.204	1	30		KKEFHM
CC(C)=CC[C@@H](OC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C)C1=CC(=O)c2c(O)ccc([O-])c2C1=O	ZINC000025995016	561764915	/nfs/dbraw/zinc/76/49/15/561764915.db2.gz	XXUTVXADNZJSAB-XLRAXISUSA-N	-1	3	570.726	8.203	1	30		KKEFHM
CC(C)=CC[C@@H](OC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C)C1=CC(=O)c2c([O-])ccc(O)c2C1=O	ZINC000025995016	561764917	/nfs/dbraw/zinc/76/49/17/561764917.db2.gz	XXUTVXADNZJSAB-XLRAXISUSA-N	-1	3	570.726	8.203	1	30		KKEFHM
CCCCC/C=C/C/C=C/CCCCCCCC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc([O-])c2C1=O	ZINC000025995642	561765083	/nfs/dbraw/zinc/76/50/83/561765083.db2.gz	MHLBKWFNBUJFIY-XLUDZEGCSA-N	-1	3	550.736	8.485	1	30		KKEFHM
CCCCC/C=C/C/C=C/CCCCCCCC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c([O-])ccc(O)c2C1=O	ZINC000025995642	561765085	/nfs/dbraw/zinc/76/50/85/561765085.db2.gz	MHLBKWFNBUJFIY-XLUDZEGCSA-N	-1	3	550.736	8.485	1	30		KKEFHM
CCN(CC)S(=O)(=O)c1cc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](c2ccc(O)cc2)C3)c(Cl)cc1Cl	ZINC000026658213	561809784	/nfs/dbraw/zinc/80/97/84/561809784.db2.gz	UMCBFQNRSMSXAY-MRXNPFEDSA-N	-1	3	578.543	6.187	1	30		KKEFHM
CCN(CC)S(=O)(=O)c1cc(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](c2ccc(O)cc2)C3)c(Cl)cc1Cl	ZINC000026658207	561809799	/nfs/dbraw/zinc/80/97/99/561809799.db2.gz	UMCBFQNRSMSXAY-INIZCTEOSA-N	-1	3	578.543	6.187	1	30		KKEFHM
O=C(CN(C(=O)CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCCc2ccccc21)[C@@H]1CCCc2ccccc21)N[O-]	ZINC000026722288	561815428	/nfs/dbraw/zinc/81/54/28/561815428.db2.gz	CQWGNGOLUOZZBZ-NOCHOARKSA-N	-1	3	618.734	6.802	1	30		KKEFHM
C[C@@H](O[C@@H]1OCCN(Cc2n[n-]nc2CN(C)C)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000027440852	561860724	/nfs/dbraw/zinc/86/07/24/561860724.db2.gz	USRYEHHMJIRICK-BDJFWFNGSA-N	-1	3	575.529	5.720	1	30		KKEFHM
CN(C/C(=N\OCC(=O)[O-])[C@@H](CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1	ZINC000027987535	561892471	/nfs/dbraw/zinc/89/24/71/561892471.db2.gz	KYEAUAKSYSOFSP-XTMMBBRYSA-N	-1	3	686.464	6.480	1	30		KKEFHM
CC[C@H](c1ccccc1)[C@H](c1ccc(O)cc1)c1ccc(OCCN(C)CCOCCOCCO/N=C/c2ccc([O-])c(C(N)=O)c2)cc1	ZINC000028224427	561907617	/nfs/dbraw/zinc/90/76/17/561907617.db2.gz	BNHPIVFPOYQMFP-UWFHWKMJSA-N	-1	3	669.819	5.917	1	30		KKEFHM
CC[C@@H](c1ccccc1)[C@@H](c1ccc(O)cc1)c1ccc(OCCN(C)CCO/N=C/c2ccc([O-])c(C(N)=O)c2)cc1	ZINC000028225236	561907878	/nfs/dbraw/zinc/90/78/78/561907878.db2.gz	MHOBLDMCIRQQBQ-RLCJJCCPSA-N	-1	3	581.713	5.884	1	30		KKEFHM
C=C(C)[C@]12C[C@@H](C)[C@]3(OCc4ccccc4)[C@@H]4C=C(C)C(=O)[C@@]4(O)CC(COC(=O)c4ccc([O-])c(OC)c4)=C[C@H]3[C@H]1OCO2	ZINC000028817276	561964623	/nfs/dbraw/zinc/96/46/23/561964623.db2.gz	ZNKMPMLXIZZWBH-BDNDQWHVSA-N	-1	3	616.707	5.063	1	30		KKEFHM
CC(=O)c1ccc(Oc2ccc(-c3scc(-c4ccccc4Cl)c3C=C([O-])NC(=N)N)cc2)cc1	ZINC000028826079	561971156	/nfs/dbraw/zinc/97/11/56/561971156.db2.gz	MOWOCBABTRBSFW-UHFFFAOYSA-N	-1	3	504.011	6.073	1	30		KKEFHM
COc1ccc(S(=O)(=O)[C@H](CC(=O)N[O-])c2ccccc2OCc2ccccc2)cc1OC1CCCC1	ZINC000029397344	562018990	/nfs/dbraw/zinc/01/89/90/562018990.db2.gz	PSHCHUIVTMBGMR-HHHXNRCGSA-N	-1	3	525.623	5.006	1	30		KKEFHM
CCCCCCCCCCCCCCCCCCN1CCN(Cc2ccc(Cc3nc(=O)o[n-]3)cc2)CC1	ZINC000036176039	562049200	/nfs/dbraw/zinc/04/92/00/562049200.db2.gz	USIIIERPAJGWCS-UHFFFAOYSA-N	-1	3	526.810	7.745	1	30		KKEFHM
CCCCCCCCCCCCCCc1c(=O)c2c(OC)cc(OC)c(OC)c2oc1-c1ccc([O-])c(O)c1	ZINC000036222852	562051849	/nfs/dbraw/zinc/05/18/49/562051849.db2.gz	STNYOTYITNKERH-UHFFFAOYSA-N	-1	3	540.697	8.141	1	30		KKEFHM
C=C(C)COc1cc2oc3cc(OCC(=C)C)c(OC)c(CC=C(C)C)c3c([O-])c-2c(=O)c1CC=C(C)C	ZINC000040872704	562081670	/nfs/dbraw/zinc/08/16/70/562081670.db2.gz	QPUAIXLSMPFNKZ-UHFFFAOYSA-N	-1	3	518.650	7.588	1	30		KKEFHM
C=C(C)COc1cc2oc3cc(OCC(=C)C)c(OC)c(CC=C(C)C)c3c(=O)c2c([O-])c1CC=C(C)C	ZINC000040872704	562081672	/nfs/dbraw/zinc/08/16/72/562081672.db2.gz	QPUAIXLSMPFNKZ-UHFFFAOYSA-N	-1	3	518.650	7.588	1	30		KKEFHM
Cc1cc(OCc2ccccc2)ccc1[C@@H]1C2C(=O)CC(C)(C)CC2=Nc2c([O-])cccc2N1C(=O)C(C)C	ZINC000040891506	562082614	/nfs/dbraw/zinc/08/26/14/562082614.db2.gz	FORLUKULGRWJEG-WJOKGBTCSA-N	-1	3	524.661	7.079	1	30		KKEFHM
CC1(C)CC(=O)C2C(=Nc3c([O-])cccc3N(C(=O)c3cccc(F)n3)[C@@H]2c2ccc(OCc3ccccc3)cc2F)C1	ZINC000042806320	562089539	/nfs/dbraw/zinc/08/95/39/562089539.db2.gz	YGWUKDVAGFGHCB-JGCGQSQUSA-N	-1	3	581.619	7.101	1	30		KKEFHM
CO[C@]12C=C3C(=O)c4c([O-])c(CC=C(C)C)c5c(c4O[C@]34[C@H](C1)C(C)(C)O[C@]4(CC=C(C)C)C2=O)C(C)(C)[C@H](C)O5	ZINC000095915111	560055246	/nfs/dbraw/zinc/05/52/46/560055246.db2.gz	JXVGZQWFGMBBFV-XJOXUACHSA-N	-1	3	562.703	6.091	1	30	biogenic,in-vitro	KKEFHM
CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C([O-])[C@]1(C(=O)C(C)C)C2=O	ZINC000014514081	571711904	/nfs/dbraw/zinc/71/19/04/571711904.db2.gz	KGSZHKRKHXOAMG-YNFGEEFKSA-N	-1	3	536.797	8.990	1	30	endogenous,in-man	KKEFHM
CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C(=O)C(CC=C(C)C)=C2[O-]	ZINC000014514081	571711906	/nfs/dbraw/zinc/71/19/06/571711906.db2.gz	KGSZHKRKHXOAMG-YNFGEEFKSA-N	-1	3	536.797	8.990	1	30	endogenous,in-man	KKEFHM
O=C(Nc1cccc(Cc2nnn[n-]2)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000043450460	562648551	/nfs/dbraw/zinc/64/85/51/562648551.db2.gz	QHEKADKXLZBVIH-UHFFFAOYSA-N	-1	3	571.244	5.103	1	30		KKEFHM
O=C(Nc1cccc(Cc2nn[n-]n2)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000043450460	562648552	/nfs/dbraw/zinc/64/85/52/562648552.db2.gz	QHEKADKXLZBVIH-UHFFFAOYSA-N	-1	3	571.244	5.103	1	30		KKEFHM
O=C(Nc1ccccc1Cc1nnn[n-]1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000044005092	562651408	/nfs/dbraw/zinc/65/14/08/562651408.db2.gz	RHTVSMUXAHLUTQ-UHFFFAOYSA-N	-1	3	571.244	5.103	1	30		KKEFHM
O=C(Nc1ccccc1Cc1nn[n-]n1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000044005092	562651409	/nfs/dbraw/zinc/65/14/09/562651409.db2.gz	RHTVSMUXAHLUTQ-UHFFFAOYSA-N	-1	3	571.244	5.103	1	30		KKEFHM
CCC[C@H](C(=O)N[O-])[C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(-c3cccc(C)c3)c2)C1=O	ZINC000044031966	562651734	/nfs/dbraw/zinc/65/17/34/562651734.db2.gz	PUMJTKBYFYCDHJ-IARZGTGTSA-N	-1	3	521.702	5.243	1	30		KKEFHM
CCC[C@H](C(=O)N[O-])[C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(-c3ccc(C)cc3)c2)C1=O	ZINC000044053455	562652039	/nfs/dbraw/zinc/65/20/39/562652039.db2.gz	AUFVSWSDCLCHTF-IARZGTGTSA-N	-1	3	521.702	5.243	1	30		KKEFHM
COC(=O)/C(C)=C\C[C@@]12OC(C)(C)[C@@H]3C[C@@H](C=C4C(=O)c5c([O-])c([C@@H]6C[C@](C)(OC)CCC6=C(C)C)c6c(c5O[C@]431)CCC(C)(C)O6)C2=O	ZINC000049793272	562684685	/nfs/dbraw/zinc/68/46/85/562684685.db2.gz	GBQLXOPZKHBGOY-ANXYOFEVSA-N	-1	3	674.831	7.021	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@]4(C)C[C@@H]([C@H](O)[C@H](C)C(=O)[O-])O[C@@]4(O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049817209	562686788	/nfs/dbraw/zinc/68/67/88/562686788.db2.gz	UVWBKHSYPWQMOP-KRNOYFLTSA-N	-1	3	713.912	6.794	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@]4(C)C[C@@H]([C@H](O)[C@H](C)C(=O)[O-])O[C@@]4(O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049817209	562686789	/nfs/dbraw/zinc/68/67/89/562686789.db2.gz	UVWBKHSYPWQMOP-KRNOYFLTSA-N	-1	3	713.912	6.794	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@]4(C)C[C@@H]([C@H](O)[C@@H](C)C(=O)[O-])O[C@@]4(O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049817212	562686800	/nfs/dbraw/zinc/68/68/00/562686800.db2.gz	UVWBKHSYPWQMOP-YWBDCVOQSA-N	-1	3	713.912	6.794	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@]4(C)C[C@@H]([C@H](O)[C@@H](C)C(=O)[O-])O[C@@]4(O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049817212	562686801	/nfs/dbraw/zinc/68/68/01/562686801.db2.gz	UVWBKHSYPWQMOP-YWBDCVOQSA-N	-1	3	713.912	6.794	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@](C)(C=CC=C(C)C(=O)NCCC(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O	ZINC000049823314	562687157	/nfs/dbraw/zinc/68/71/57/562687157.db2.gz	HUSUTWRZGZUUEP-SGMGHCNKSA-N	-1	3	750.977	7.690	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@](C)(C=CC=C(C)C(=O)NCCC(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O	ZINC000049823314	562687158	/nfs/dbraw/zinc/68/71/58/562687158.db2.gz	HUSUTWRZGZUUEP-SGMGHCNKSA-N	-1	3	750.977	7.690	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@]4(C)C[C@@H](/C=C(\C)C(=O)[O-])O[C@@]4(O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049841616	562688538	/nfs/dbraw/zinc/68/85/38/562688538.db2.gz	ISIUAWYGRFWXQR-DKNYIOSXSA-N	-1	3	695.897	7.744	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@]4(C)C[C@@H](/C=C(\C)C(=O)[O-])O[C@@]4(O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049841616	562688539	/nfs/dbraw/zinc/68/85/39/562688539.db2.gz	ISIUAWYGRFWXQR-DKNYIOSXSA-N	-1	3	695.897	7.744	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@](C)(C=CC=CC(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O	ZINC000049863792	562689278	/nfs/dbraw/zinc/68/92/78/562689278.db2.gz	DVUZIAWNDGLJQF-VDHYFCECSA-N	-1	3	665.871	7.793	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@](C)(C=CC=CC(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O	ZINC000049863792	562689279	/nfs/dbraw/zinc/68/92/79/562689279.db2.gz	DVUZIAWNDGLJQF-VDHYFCECSA-N	-1	3	665.871	7.793	1	30		KKEFHM
CC(C)(C)CC[C@@]1(NCc2csc3ccccc23)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000049881870	562691223	/nfs/dbraw/zinc/69/12/23/562691223.db2.gz	KQDZEPDLUKVLFZ-MGBGTMOVSA-N	-1	3	678.858	6.149	1	30		KKEFHM
CC(C)(C)CC[C@@]1(NCc2ccc(OCc3ccccc3)cc2)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000049899410	562693077	/nfs/dbraw/zinc/69/30/77/562693077.db2.gz	ATGJYOQTZGPLRY-KXQOOQHDSA-N	-1	3	728.893	6.513	1	30		KKEFHM
CC(C)(C)CC[C@]1(NCc2ccc(OCc3ccccc3)cc2)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000049899409	562693096	/nfs/dbraw/zinc/69/30/96/562693096.db2.gz	ATGJYOQTZGPLRY-LHEWISCISA-N	-1	3	728.893	6.513	1	30		KKEFHM
CC[NH+](CC)[C@H](C)CC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3[O-])nc([N-]C(=O)c3ccco3)c2C#N)c1	ZINC000053294172	562697225	/nfs/dbraw/zinc/69/72/25/562697225.db2.gz	ZFZOJMJOOSZWMT-LJQANCHMSA-N	-1	3	555.610	6.036	1	30		KKEFHM
CCN1CCN(c2cccc(-c3cc(-c4ccc(F)cc4[O-])nc(NC(=O)c4ccco4)c3C#N)c2)CC1	ZINC000053312793	562697613	/nfs/dbraw/zinc/69/76/13/562697613.db2.gz	JFEAGZFSEPIRLF-UHFFFAOYSA-N	-1	3	511.557	5.119	1	30		KKEFHM
NS(=O)(=O)c1ccc(N2c3nc(-c4ccccc4)[n-]c(=O)c3[C@@H](c3ccc(Cl)cc3Cl)C3=C2CCCC3=O)cc1	ZINC000066099788	562711176	/nfs/dbraw/zinc/71/11/76/562711176.db2.gz	AJHGSFAMXVBYOD-DEOSSOPVSA-N	-1	3	593.492	6.094	1	30		KKEFHM
CCc1ccc([C@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1	ZINC000073221669	562736351	/nfs/dbraw/zinc/73/63/51/562736351.db2.gz	IDWBZRLHHNMOQH-MHZLTWQESA-N	-1	3	542.632	6.065	1	30		KKEFHM
CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1	ZINC000073221669	562736352	/nfs/dbraw/zinc/73/63/52/562736352.db2.gz	IDWBZRLHHNMOQH-MHZLTWQESA-N	-1	3	542.632	6.065	1	30		KKEFHM
CC(C)=CCC[C@]1(C)C=Cc2c([O-])c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)OCCN1CCOCC1)C4=O)C3=O	ZINC000082164787	562741265	/nfs/dbraw/zinc/74/12/65/562741265.db2.gz	KCALBYYRHOKKBO-BCFMDSCZSA-N	-1	3	741.922	7.030	1	30		KKEFHM
CC(C)CN(c1ccc([C@@]([O-])(C#Cc2ccccc2)C(F)(F)F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000084687789	562748967	/nfs/dbraw/zinc/74/89/67/562748967.db2.gz	OPWASPRJSUBIAP-VWLOTQADSA-N	-1	3	556.433	6.646	1	30		KKEFHM
CC1(C)[C@@]2(C)C[C@]1(C)[C@H](CS(=O)(=O)[N-]C(=O)c1ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc1)CC2	ZINC000084688628	562749205	/nfs/dbraw/zinc/74/92/05/562749205.db2.gz	YAIFIQIAZOILGN-BXQIBZSOSA-N	-1	3	634.286	7.816	1	30		KKEFHM
CC(C)CN(c1ccc([C@]([O-])(C#Cc2ccc(C#N)cc2)C(F)(F)F)cc1)S(=O)(=O)c1cccc(C#N)c1	ZINC000084689357	562749336	/nfs/dbraw/zinc/74/93/36/562749336.db2.gz	WURQNCCSOKMJQO-HHHXNRCGSA-N	-1	3	537.563	5.083	1	30		KKEFHM
Cc1cc([N+](=O)[O-])ccc1C#C[C@]([O-])(c1ccc(N(CC(C)C)S(=O)(=O)c2ccccc2)cc1)C(F)(F)F	ZINC000084689353	562749362	/nfs/dbraw/zinc/74/93/62/562749362.db2.gz	NGVQTVNPIHWYMH-SANMLTNESA-N	-1	3	546.567	5.556	1	30		KKEFHM
COc1ccc(C#C[C@]([O-])(c2ccc(N(CC(C)C)S(=O)(=O)c3ccccc3)cc2)C(F)(F)F)cc1	ZINC000084690741	562749700	/nfs/dbraw/zinc/74/97/00/562749700.db2.gz	SPBPFJHZPFDYNQ-SANMLTNESA-N	-1	3	517.569	5.348	1	30		KKEFHM
Cc1ccc(C#C[C@@]([O-])(c2ccc(N(CC(C)C)S(=O)(=O)c3ccccc3)cc2)C(F)(F)F)cc1	ZINC000084709560	562750325	/nfs/dbraw/zinc/75/03/25/562750325.db2.gz	HOKWHENHZPOIMO-AREMUKBSSA-N	-1	3	501.570	5.648	1	30		KKEFHM
CCCCc1ccc(C#C[C@]([O-])(c2ccc(N(CC(C)C)S(=O)(=O)c3ccccc3)cc2)C(F)(F)F)cc1	ZINC000084709567	562750345	/nfs/dbraw/zinc/75/03/45/562750345.db2.gz	XKVLTCFSICEGEB-LJAQVGFWSA-N	-1	3	543.651	6.682	1	30		KKEFHM
O=C(CCCCC[C@H]1c2nc(Cc3ccccc3)c(o2)[C@@H](Cc2ccccc2)CCCCn2cc(nn2)CCCN1Cc1ccccc1)N[O-]	ZINC000095559558	562762768	/nfs/dbraw/zinc/76/27/68/562762768.db2.gz	UYJXMQDQMVVXSA-UXMGRTHOSA-N	-1	3	674.890	7.999	1	30		KKEFHM
CCCCCCCC[N+](C)(CCCCCCCC)CCCCOc1cc([O-])c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O	ZINC000095562015	562763541	/nfs/dbraw/zinc/76/35/41/562763541.db2.gz	PQZBWDNBKZHOTF-UHFFFAOYSA-O	-1	3	580.830	8.508	1	30		KKEFHM
C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1	ZINC000095573936	562769780	/nfs/dbraw/zinc/76/97/80/562769780.db2.gz	UMQDSQPGKGJAGO-QGZVFWFLSA-N	-1	3	647.617	5.376	1	30		KKEFHM
C[C@H](NC(=O)[C@@]([O-])(c1ccc(-c2ccc3cccnc3n2)cc1)C(F)(F)F)c1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1	ZINC000095580532	562771878	/nfs/dbraw/zinc/77/18/78/562771878.db2.gz	IRMAYPNFECPMPF-PBYQXAPXSA-N	-1	3	613.533	7.749	1	30		KKEFHM
CCc1nc2c(c(=O)n(Cc3ccccc3C#N)cc2C)n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[n-]3)ccc21	ZINC000095582228	562772486	/nfs/dbraw/zinc/77/24/86/562772486.db2.gz	RAUNYZMCEZPALE-NDEPHWFRSA-N	-1	3	552.642	5.372	1	30		KKEFHM
CCc1nc2c(c(=O)n(Cc3ccccc3C#N)cc2C)n1[C@H]1CCc2cc(-c3ccccc3-c3nn[n-]n3)ccc21	ZINC000095582228	562772487	/nfs/dbraw/zinc/77/24/87/562772487.db2.gz	RAUNYZMCEZPALE-NDEPHWFRSA-N	-1	3	552.642	5.372	1	30		KKEFHM
C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)[O-])c(Cl)c1	ZINC000095587748	562774430	/nfs/dbraw/zinc/77/44/30/562774430.db2.gz	LFRFHNNDPXJMKU-VTNSRFBWSA-N	-1	3	510.984	6.912	1	30		KKEFHM
C[C@H]([N-]S(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(Cl)cc3n2C2CCC2)nc1)C(F)(F)F	ZINC000103270496	562822937	/nfs/dbraw/zinc/82/29/37/562822937.db2.gz	PHEKODZUYSUIOY-NSHDSACASA-N	-1	3	500.905	5.322	1	30		KKEFHM
O=C(NC[C@@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(F)cn1)[C@@]([O-])(c1ccccc1)C(F)(F)F	ZINC000114404714	562828235	/nfs/dbraw/zinc/82/82/35/562828235.db2.gz	CMNNDSPUDJVCNI-NSOVKSMOSA-N	-1	3	594.502	6.474	1	30		KKEFHM
COC(c1ccc(C(=O)N(C)CCCCCCC(=O)N[O-])cc1)(c1ccc(F)cc1F)c1ccc(F)cc1F	ZINC000118362329	562830249	/nfs/dbraw/zinc/83/02/49/562830249.db2.gz	HYCMHEHTQWMTJC-UHFFFAOYSA-N	-1	3	546.561	5.709	1	30		KKEFHM
Cc1cc(F)ccc1C(O)(c1ccc(C(=O)NCCCCCCC(=O)N[O-])cc1)c1ccc(F)cc1C	ZINC000118357280	562830282	/nfs/dbraw/zinc/83/02/82/562830282.db2.gz	LQGNYHYDYAWRAO-UHFFFAOYSA-N	-1	3	510.581	5.052	1	30		KKEFHM
N#Cc1cccc(Oc2cc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)ccc2C(=O)[N-]S(=O)(=O)c2ccc(NCC3CCOCC3)c([N+](=O)[O-])c2)c1	ZINC000165240710	562849934	/nfs/dbraw/zinc/84/99/34/562849934.db2.gz	ODTYFMGRCDRUSB-UHFFFAOYSA-N	-1	3	821.356	7.859	1	30		KKEFHM
O=C(CCCCC[C@H]1c2nc(Cc3ccccc3)c(o2)[C@H](Cc2ccccc2)CCn2cc(nn2)CCCN1Cc1ccccc1)N[O-]	ZINC000169291906	562851970	/nfs/dbraw/zinc/85/19/70/562851970.db2.gz	JPFZLPCINWHUKQ-JUKUECOXSA-N	-1	3	646.836	7.219	1	30		KKEFHM
COc1cc(-c2cc(NC(=O)Nc3cc(OCCN4CCCC4)ccc3C)cc(OC)c2OC)ccc1/C(C)=N/[O-]	ZINC000169324013	562857274	/nfs/dbraw/zinc/85/72/74/562857274.db2.gz	FQCYGORZADKSSD-KEIPNQJHSA-N	-1	3	562.667	6.005	1	30		KKEFHM
COc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCSCc2ccc([C@@H]3C=CCCC3)cc2)C(=O)N[O-])cc1	ZINC000169339225	562860365	/nfs/dbraw/zinc/86/03/65/562860365.db2.gz	MEVLEABHOAUFQW-KCWPFWIISA-N	-1	3	546.755	5.363	1	30		KKEFHM
CC1(C)CN(c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2c1c(-c1ccc(C(F)(F)F)cn1)c(F)cc2[O-]	ZINC000299827280	562884121	/nfs/dbraw/zinc/88/41/21/562884121.db2.gz	WNXPRFLKLJQEDJ-UHFFFAOYSA-N	-1	3	620.525	8.584	1	30		KKEFHM
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(NC(=O)CCCC(=O)N[O-])[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C	ZINC000299832218	562885798	/nfs/dbraw/zinc/88/57/98/562885798.db2.gz	SUGYANMAYPXWJZ-OTNGOTFXSA-N	-1	3	556.832	6.549	1	30		KKEFHM
COc1ccc([C@]2(c3ccccc3)CC(S(=O)(=O)c3ccc(F)cc3)=C(c3ccc(/C(N)=N\[O-])cc3)O2)cc1	ZINC000299839888	562888324	/nfs/dbraw/zinc/88/83/24/562888324.db2.gz	ZTUMEOKFIFZETI-SSEXGKCCSA-N	-1	3	544.604	5.435	1	30		KKEFHM
CCCCOC(=O)OCOP(=O)(OCOC(=O)OCCCC)[C@H](CCC(=O)N(C)[O-])c1ccc(F)c(F)c1	ZINC000299864373	562894102	/nfs/dbraw/zinc/89/41/02/562894102.db2.gz	MIJLEQHJJVBOHK-HXUWFJFHSA-N	-1	3	569.491	5.682	1	30		KKEFHM
CCCCCCCCCCOC(=O)CCCC(=O)OCCN1CCN(c2cc([N-]c3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C)n2)CC1	ZINC000299870951	562895609	/nfs/dbraw/zinc/89/56/09/562895609.db2.gz	XGSBSAFAHWOIAT-UHFFFAOYSA-N	-1	3	742.387	7.719	1	30		KKEFHM
O=C(CCCCCCC(=O)Nc1ccc2ccnc(Nc3ccc(Br)cc3F)c2c1)N[O-]	ZINC000473097892	562897957	/nfs/dbraw/zinc/89/79/57/562897957.db2.gz	DFKQAHYOXDWTAQ-UHFFFAOYSA-N	-1	3	503.372	5.665	1	30		KKEFHM
Cn1cc2c([n-]1)nc(=NC(=Nc1ccc(Br)cc1)Nc1ccc(Br)cc1)n1nc(-c3ccco3)nc21	ZINC000473127246	562899782	/nfs/dbraw/zinc/89/97/82/562899782.db2.gz	VIIZBWPVQKRQPA-UHFFFAOYSA-N	-1	3	607.270	5.430	1	30		KKEFHM
C=CCc1ccc([O-])c(-c2cc(CC=C)ccc2OC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c1	ZINC000653706681	562907848	/nfs/dbraw/zinc/90/78/48/562907848.db2.gz	BYQNLKGHLFHBFG-HSZRJFAPSA-N	-1	3	502.610	7.456	1	30		KKEFHM
C=C(C)[C@@H]1CC[C@]2(C(=O)N[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12	ZINC000653784776	562912278	/nfs/dbraw/zinc/91/22/78/562912278.db2.gz	ANDNOSPVUURNLX-BWXYOZBYSA-N	-1	3	513.763	7.081	1	30		KKEFHM
CO[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CCCc1ccc(-c2ccccc2)c(C)c1)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000653813306	562913955	/nfs/dbraw/zinc/91/39/55/562913955.db2.gz	MDNBGABATBOAOY-YBAOVTMCSA-N	-1	3	573.734	5.489	1	30		KKEFHM
CCC[C@H](CO)[C@@H]1C[C@@H](Cc2ccnc(NCCCO)c2)C[C@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC([O-])=C(O)C(=O)[C@H]2C1	ZINC000085631356	565163589	/nfs/dbraw/zinc/16/35/89/565163589.db2.gz	UPFBHUIJWUKDNY-IFRBHFMQSA-N	-1	3	696.885	5.471	1	30	biogenic,in-vitro	KKEFHM
CCC[C@H](CO)[C@@H]1C[C@@H](Cc2ccnc(NCCCO)c2)C[C@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)C(O)=C([O-])[C@H]2C1	ZINC000085631356	565163595	/nfs/dbraw/zinc/16/35/95/565163595.db2.gz	UPFBHUIJWUKDNY-IFRBHFMQSA-N	-1	3	696.885	5.471	1	30	biogenic,in-vitro	KKEFHM
CCCC1([C@@H]2C[C@H]3C(=O)C(O)=C([O-])CCc4cc(OC)c(O)cc4[C@@H](c4ccccc4)C#C[C@@H]3C[C@@H](Cc3ccnc(N)c3)C2)CCCC1	ZINC000085631412	565164402	/nfs/dbraw/zinc/16/44/02/565164402.db2.gz	XFVCBMUSUDELEL-NHJUTFAASA-N	-1	3	662.871	7.211	1	30	biogenic,in-vitro	KKEFHM
CCCC1([C@@H]2C[C@H]3C([O-])=C(O)C(=O)CCc4cc(OC)c(O)cc4[C@@H](c4ccccc4)C#C[C@@H]3C[C@@H](Cc3ccnc(N)c3)C2)CCCC1	ZINC000085631412	565164407	/nfs/dbraw/zinc/16/44/07/565164407.db2.gz	XFVCBMUSUDELEL-NHJUTFAASA-N	-1	3	662.871	7.211	1	30	biogenic,in-vitro	KKEFHM
C/C=C1/C[C@@H](c2cccc(CO)c2)C#C[C@H]2CC(=O)Oc3cc([O-])c(cc32)C[C@H]([C@]2(O)CC[C@H]3CC[C@@H]4CC(=O)C[C@H]3[C@@H]42)OC1=O	ZINC000150344642	565201453	/nfs/dbraw/zinc/20/14/53/565201453.db2.gz	BUTLALRVMIWSAK-MWOHZDHTSA-N	-1	3	624.730	5.015	1	30	biogenic,in-vitro	KKEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCCC[C@H]31)O[C@@H]2CCc1cc(N)nc(-c2cc(N)nc(C(C)C)c2)c1	ZINC000150345675	565201478	/nfs/dbraw/zinc/20/14/78/565201478.db2.gz	NDZHZLGHLLAKMA-ZRWMQDEVSA-N	-1	3	654.764	6.063	1	30	biogenic,in-vitro	KKEFHM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCCC[C@H]31)O[C@@H]2CCc1cc(N)nc(-c2cc(N)nc(C(C)C)c2)c1	ZINC000150345675	565201482	/nfs/dbraw/zinc/20/14/82/565201482.db2.gz	NDZHZLGHLLAKMA-ZRWMQDEVSA-N	-1	3	654.764	6.063	1	30	biogenic,in-vitro	KKEFHM
COc1ccc2cc1OCc1ccc3c4c1C=C[C@@H](C)c4cc([O-])c3C1(C#CO[C@@H](C[C@H]3CC(=O)C=C[C@H]3CCCCc3ccccc3)CC(=O)CC2)CCCC1	ZINC000085595970	291981337	/nfs/dbraw/zinc/98/13/37/291981337.db2.gz	OJZDGWIPOMHUMA-ZNFNVPTJSA-N	-1	3	762.987	11.374	1	30	biogenic,in-vitro	KKEFHM
O=C(CN(Cc1ccccc1)C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)N[O-]	ZINC000003924326	561686296	/nfs/dbraw/zinc/68/62/96/561686296.db2.gz	FLQJJGGFZOAADY-UHFFFAOYSA-N	-1	3	566.658	5.480	1	30		KKEFHM
N#Cc1ccc(-c2ccc(C(=O)N3Cc4c([n-]c5ccccc5c4=O)[C@@H]3c3ccc4c(c3)OCO4)o2)cc1	ZINC000013493104	561716523	/nfs/dbraw/zinc/71/65/23/561716523.db2.gz	ZQMKDSDNZMGXPC-NDEPHWFRSA-N	-1	3	501.498	5.134	1	30		KKEFHM
CCOc1cc([C@H](Nc2ccc3c(N)[nH+]ccc3c2)C(=O)[N-]S(=O)(=O)c2cccc([O-])c2)ccc1OC(C)C	ZINC000014191602	561737631	/nfs/dbraw/zinc/73/76/31/561737631.db2.gz	NSKJHJNUMAJGCP-SANMLTNESA-N	-1	3	550.637	5.207	1	30		KKEFHM
O=C(C[C@@H](CCCC1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1)N[O-]	ZINC000026661263	561810352	/nfs/dbraw/zinc/81/03/52/561810352.db2.gz	VFZUGYPXLGNLTO-SXOMAYOGSA-N	-1	3	513.723	5.063	1	30		KKEFHM
C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)CC(=O)N(C)[O-])c3S1	ZINC000026668573	561811787	/nfs/dbraw/zinc/81/17/87/561811787.db2.gz	NOAXZQNIKFBNGQ-DEOSSOPVSA-N	-1	3	640.249	8.827	1	30		KKEFHM
O=C(CN(C(=O)CN(CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCc2ccccc21)N[O-]	ZINC000026674418	561813532	/nfs/dbraw/zinc/81/35/32/561813532.db2.gz	HJASPQSKQSRTLC-MGBGTMOVSA-N	-1	3	606.723	6.357	1	30		KKEFHM
CC(C)C[C@H]1C(=O)N[C@H](C(=O)c2ccc(C(C)(C)C)cc2)Cc2ccc(cc2)OCCCC[C@@H]1C(=O)N[O-]	ZINC000026968317	561830222	/nfs/dbraw/zinc/83/02/22/561830222.db2.gz	QESYNYYOSNECPA-VJGNERBWSA-N	-1	3	522.686	5.241	1	30		KKEFHM
C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc2c(c1)Cc1ccccc1-2)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000027653164	561876956	/nfs/dbraw/zinc/87/69/56/561876956.db2.gz	FLMHRETZLINTLJ-PCFFTZKOSA-N	-1	3	555.719	5.501	1	30		KKEFHM
CC[C@H](c1ccccc1)[C@@H](c1ccc(O)cc1)c1ccc(OCCN(C)CCOCCO/N=C/c2ccc([O-])c(C(N)=O)c2)cc1	ZINC000028225567	561907975	/nfs/dbraw/zinc/90/79/75/561907975.db2.gz	YFIFXXYJJRIEKS-RJKGHIAFSA-N	-1	3	625.766	5.900	1	30		KKEFHM
CC(=O)c1ccc(Oc2ccc(-c3ccc(-c4ccc(C(F)(F)F)cc4)n3C=C([O-])NC(=N)N)cc2)cc1	ZINC000029040048	561990385	/nfs/dbraw/zinc/99/03/85/561990385.db2.gz	UCWCVUHXRRHJSK-UHFFFAOYSA-N	-1	3	520.511	5.636	1	30		KKEFHM
COc1ccc(S(=O)(=O)[C@@H](CC(=O)N[O-])c2ccc(OCc3ccccc3)cc2)cc1OC1CCCC1	ZINC000029393578	562018052	/nfs/dbraw/zinc/01/80/52/562018052.db2.gz	CSLQYGQMUXSECS-MHZLTWQESA-N	-1	3	525.623	5.006	1	30		KKEFHM
CN1C(=O)[C@]2(C[C@@H]2C(=O)N[O-])C[C@H]1c1ccc(OCc2cc(-c3ccccc3)nc3ccccc23)c(F)c1	ZINC000040394198	562074216	/nfs/dbraw/zinc/07/42/16/562074216.db2.gz	NIMFDLGXDWOYBK-WHOFMZINSA-N	-1	3	511.553	5.035	1	30		KKEFHM
CC(C)C(=O)N1c2cccc([O-])c2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(OCc2ccccc2)cc1F	ZINC000040875806	562082151	/nfs/dbraw/zinc/08/21/51/562082151.db2.gz	KVMVGINANFWERF-PMERELPUSA-N	-1	3	528.624	6.909	1	30		KKEFHM
Cc1nc(C(=O)N2c3cccc([O-])c3N=C3CC(C)(C)CC(=O)C3[C@@H]2c2ccc(OCc3ccccc3)cc2F)c(C)o1	ZINC000042805645	562089262	/nfs/dbraw/zinc/08/92/62/562089262.db2.gz	CFUGIIBOYXFYRK-YTTGMZPUSA-N	-1	3	581.644	7.172	1	30	in-vivo	KKEFHM
Cc1cc(C(=O)N2c3cccc([O-])c3N=C3CC(C)(C)CC(=O)C3[C@@H]2c2ccc(OCc3ccccc3)cc2F)no1	ZINC000042806551	562089755	/nfs/dbraw/zinc/08/97/55/562089755.db2.gz	WHWBKFIIXPWRLP-HKBQPEDESA-N	-1	3	567.617	6.864	1	30		KKEFHM
Cc1c([O-])c2c(c3c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]3c1ccccc1)O[C@H](c1ccccc1)CC2=O	ZINC000014859623	560227275	/nfs/dbraw/zinc/22/72/75/560227275.db2.gz	XFYRJHANHCHCTK-FCHUYYIVSA-N	-1	3	522.597	6.390	1	30	biogenic,in-vitro	KKEFHM
CCOc1cc([C@@H](Nc2ccc3c(N)[nH+]ccc3c2)C(=O)[N-]S(=O)(=O)c2ccc([O-])cc2)ccc1OC(C)C	ZINC000043063120	562645230	/nfs/dbraw/zinc/64/52/30/562645230.db2.gz	YAUIYXQWYKBVHU-AREMUKBSSA-N	-1	3	550.637	5.207	1	30		KKEFHM
CCCCCCC/C=C\CCCCCCCCC(=O)Oc1cc([O-])c2c(c1)O[C@H](c1ccc(OC)c(O)c1)CC2=O	ZINC000043300216	562647375	/nfs/dbraw/zinc/64/73/75/562647375.db2.gz	PZLXQLFGGNPFOQ-KKUMVYOXSA-N	-1	3	566.735	8.756	1	30		KKEFHM
CCCCCCCN(CC(=O)N(CCc1ccc(F)cc1)CC(=O)N[O-])C(=O)Nc1ccc(Oc2ccccc2)cc1	ZINC000043834388	562650974	/nfs/dbraw/zinc/65/09/74/562650974.db2.gz	QQIWYSRJJVUKEE-UHFFFAOYSA-N	-1	3	578.685	5.999	1	30		KKEFHM
CC1(C)CC(=O)C2C(=Nc3c([O-])cccc3N(C(=O)c3nccs3)[C@H]2c2ccc(OCc3ccccc3)cc2F)C1	ZINC000044306850	562653833	/nfs/dbraw/zinc/65/38/33/562653833.db2.gz	PADXTVXIXFXYEJ-LJAQVGFWSA-N	-1	3	569.658	7.024	1	30		KKEFHM
C=C[C@@H]1C[C@]1(N[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NCCCCC/C=C\c1ccc3ccnc(c3c1)O2)C(=O)[N-]S(=O)(=O)C1CC1	ZINC000049649968	562667952	/nfs/dbraw/zinc/66/79/52/562667952.db2.gz	YMCXXRVSTGFVJZ-VLKTZLOCSA-N	-1	3	661.869	5.259	1	30		KKEFHM
CCCCCCCCCCCC(=O)Oc1cc([O-])c2c(c1)O[C@H](c1ccc3c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@@H](CO)O3)[C@@H](O)C2=O	ZINC000049682999	562669250	/nfs/dbraw/zinc/66/92/50/562669250.db2.gz	JWORRUYJWRDLNJ-LPMCDCQYSA-N	-1	3	664.748	6.483	1	30		KKEFHM
O=C(Nc1ccc(Cc2nnn[n-]2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000049771981	562678527	/nfs/dbraw/zinc/67/85/27/562678527.db2.gz	ADZKOYUFTBEHBC-UHFFFAOYSA-N	-1	3	671.258	6.374	1	30		KKEFHM
O=C(Nc1ccc(Cc2nn[n-]n2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000049771981	562678528	/nfs/dbraw/zinc/67/85/28/562678528.db2.gz	ADZKOYUFTBEHBC-UHFFFAOYSA-N	-1	3	671.258	6.374	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@@H](C5)CC[C@H]2[C@](C)(C=CC=C(C)C(=O)NCCC(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049823315	562687163	/nfs/dbraw/zinc/68/71/63/562687163.db2.gz	HUSUTWRZGZUUEP-KKPZZSDHSA-N	-1	3	750.977	7.690	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@@H](C5)CC[C@H]2[C@](C)(C=CC=C(C)C(=O)NCCC(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O	ZINC000049823315	562687164	/nfs/dbraw/zinc/68/71/64/562687164.db2.gz	HUSUTWRZGZUUEP-KKPZZSDHSA-N	-1	3	750.977	7.690	1	30		KKEFHM
CCCCCC(=O)c1c([O-])c2c(c3c1O[C@@]1(O)[C@@H]([C@H](O)C(C)(C)C(=O)C1(C)C)[C@@H]3C(C)C)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]2CC(C)C	ZINC000049833386	562687760	/nfs/dbraw/zinc/68/77/60/562687760.db2.gz	UCPPOTQBYGVTAX-CVWOZKEQSA-N	-1	3	694.906	7.568	1	30		KKEFHM
C=C(C)C1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@](C)(C=CC=C(CCC)C(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O	ZINC000049863747	562689185	/nfs/dbraw/zinc/68/91/85/562689185.db2.gz	ITAYMVKASMKNTO-JDAGKAOTSA-N	-1	3	707.952	8.963	1	30		KKEFHM
C=C(C)c1c(O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@](C)(C=CC=C(CCC)C(=O)[O-])[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O	ZINC000049863747	562689186	/nfs/dbraw/zinc/68/91/86/562689186.db2.gz	ITAYMVKASMKNTO-JDAGKAOTSA-N	-1	3	707.952	8.963	1	30		KKEFHM
CC(C)[NH2+][C@H](C)CC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3[O-])nc([N-]C(=O)c3ccco3)c2C#N)c1	ZINC000053242643	562696746	/nfs/dbraw/zinc/69/67/46/562696746.db2.gz	LBZXIMVHSCCDBC-GOSISDBHSA-N	-1	3	541.583	5.692	1	30		KKEFHM
CC[NH2+][C@@H](CC)CC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3[O-])nc([N-]C(=O)c3ccco3)c2C#N)c1	ZINC000053294176	562697209	/nfs/dbraw/zinc/69/72/09/562697209.db2.gz	LQGKAOHALGAYHK-FQEVSTJZSA-N	-1	3	541.583	5.694	1	30		KKEFHM
CCCCOc1ccc(/C=C/C(=O)N[C@@H](CCCCCC(=O)N[O-])C(=O)Nc2cccc3cccnc32)cc1	ZINC000064573274	562708658	/nfs/dbraw/zinc/70/86/58/562708658.db2.gz	FGVYISPLOUYHHQ-DXCHCPKQSA-N	-1	3	532.641	5.006	1	30		KKEFHM
CCC(=O)N(CCCCCCNC(=NC(=O)OC(C)(C)C)[N-]C(=O)OC(C)(C)C)C1CCN(CCc2ccccc2)CC1	ZINC000066114234	562712356	/nfs/dbraw/zinc/71/23/56/562712356.db2.gz	LRSRFLDNYARSAZ-UHFFFAOYSA-N	-1	3	601.833	6.102	1	30		KKEFHM
CCCCCCCCCCCCCC(=O)OCOC(=O)c1c(C(C)(C)O)nc(CCC)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1	ZINC000072113394	562722313	/nfs/dbraw/zinc/72/23/13/562722313.db2.gz	OSXOYTMLDNFASC-UHFFFAOYSA-N	-1	3	686.898	8.317	1	30		KKEFHM
CCCCCCCCCCCCCC(=O)OCOC(=O)c1c(C(C)(C)O)nc(CCC)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1	ZINC000072113394	562722314	/nfs/dbraw/zinc/72/23/14/562722314.db2.gz	OSXOYTMLDNFASC-UHFFFAOYSA-N	-1	3	686.898	8.317	1	30		KKEFHM
N/C(=N\[O-])c1ccc(C2=C(S(=O)(=O)c3ccc(Nc4cccc(/C(N)=N/O)c4)cc3)CC(c3ccccc3)(c3ccccc3)O2)cc1	ZINC000072128709	562726251	/nfs/dbraw/zinc/72/62/51/562726251.db2.gz	PIOVFPHUFBOXRH-UHFFFAOYSA-N	-1	3	645.741	6.126	1	30		KKEFHM
C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(Br)cc2)=C(c2ccc(/C(N)=N/[O-])cc2)O1	ZINC000072170936	562730391	/nfs/dbraw/zinc/73/03/91/562730391.db2.gz	XKYJNCHQONYHOE-RUZDIDTESA-N	-1	3	527.440	5.108	1	30		KKEFHM
C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(C(F)(F)F)cc2)=C(c2ccc(/C(N)=N/[O-])cc2)O1	ZINC000072171074	562730464	/nfs/dbraw/zinc/73/04/64/562730464.db2.gz	ACYRFSUHBDNUNJ-RUZDIDTESA-N	-1	3	516.541	5.364	1	30		KKEFHM
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C/C=C/[C@@]([O-])(C(C)(F)F)C(F)(F)F)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1O	ZINC000084635160	562746078	/nfs/dbraw/zinc/74/60/78/562746078.db2.gz	MBORAXGXLXZGNZ-XIDQWODCSA-N	-1	3	604.741	7.580	1	30		KKEFHM
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C/C=C/[C@@]([O-])(C(C)(F)F)C(F)(F)F)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1O	ZINC000084635850	562746267	/nfs/dbraw/zinc/74/62/67/562746267.db2.gz	MBORAXGXLXZGNZ-GZNNEHOLSA-N	-1	3	604.741	7.580	1	30		KKEFHM
CC(C)CN(c1ccc([C@]([O-])(C#Cc2ccccc2)C(F)(F)F)cc1)S(=O)(=O)c1cccc(C#N)c1	ZINC000084687788	562748986	/nfs/dbraw/zinc/74/89/86/562748986.db2.gz	UPBQKZKPZNVPRI-AREMUKBSSA-N	-1	3	512.553	5.211	1	30		KKEFHM
CC(C)CN(c1ccc([C@@]([O-])(C#Cc2ccc(C#N)cc2)C(F)(F)F)cc1)S(=O)(=O)c1cccc(C#N)c1	ZINC000084689356	562749328	/nfs/dbraw/zinc/74/93/28/562749328.db2.gz	WURQNCCSOKMJQO-MHZLTWQESA-N	-1	3	537.563	5.083	1	30		KKEFHM
CS(=O)(=O)c1ccc(C#C[C@]([O-])(c2ccc(N(CC3CCCC3)S(=O)(=O)c3ccccc3)cc2)C(F)(F)F)cc1	ZINC000084704123	562749829	/nfs/dbraw/zinc/74/98/29/562749829.db2.gz	RXPXFGQFOCMGBP-NDEPHWFRSA-N	-1	3	591.673	5.277	1	30		KKEFHM
Clc1ccccc1Cn1c(C=N[N-]c2nc3ccsc3c(N3CCOCC3)n2)nc2ccccc21	ZINC000084729626	562751597	/nfs/dbraw/zinc/75/15/97/562751597.db2.gz	FURICAVOTORIQP-JFLMPSFJSA-N	-1	3	504.019	5.025	1	30		KKEFHM
O=C([N-]S(=O)(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1	ZINC000084732044	562751753	/nfs/dbraw/zinc/75/17/53/562751753.db2.gz	OROHZFTYRMYNPK-UHFFFAOYSA-N	-1	3	604.216	6.932	1	30		KKEFHM
O=C([N-]S(=O)(=O)c1ccc(NCCSc2ccccc2)c([N+](=O)[O-])c1)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1	ZINC000095548934	562759627	/nfs/dbraw/zinc/75/96/27/562759627.db2.gz	RLJOZRFWOFYEQE-UHFFFAOYSA-N	-1	3	742.323	8.135	1	30		KKEFHM
C[C@@H](C(=O)N[O-])N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000095558087	562762354	/nfs/dbraw/zinc/76/23/54/562762354.db2.gz	BNMHWGJBZGPFLG-ZETCQYMHSA-N	-1	3	721.342	5.587	1	30		KKEFHM
C[C@@H](C(=O)[O-])c1ccc([C@@H](c2ccc(F)cc2)N2CCC(C(F)(F)F)CC2)c(-c2ccc(C(F)(F)F)cc2)c1	ZINC000095558702	562762502	/nfs/dbraw/zinc/76/25/02/562762502.db2.gz	DAXUHCFVRMWEHX-WGDIFIGCSA-N	-1	3	553.518	8.063	1	30		KKEFHM
COc1ccc(CCN(CCC(=O)N[O-])S(=O)(=O)c2ccc(NC(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)cc1	ZINC000095560268	562763028	/nfs/dbraw/zinc/76/30/28/562763028.db2.gz	LYCZLLQDTLTBDK-UHFFFAOYSA-N	-1	3	616.740	5.058	1	30		KKEFHM
CCCCCCCCCCCCCC[N+](C)(C)CCCCOc1cc([O-])c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O	ZINC000095561644	562763486	/nfs/dbraw/zinc/76/34/86/562763486.db2.gz	VUCJUOMORJYBBS-UHFFFAOYSA-O	-1	3	566.803	8.118	1	30		KKEFHM
CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\[O-])C[C@@H]12)c1ccc(F)cc1	ZINC000096932710	562803522	/nfs/dbraw/zinc/80/35/22/562803522.db2.gz	ZVCUCJIQZAMDEY-SSXXBGJTSA-N	-1	3	631.751	7.551	1	30		KKEFHM
CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\[O-])C[C@@H]12)c1ccc(OC)cc1	ZINC000096932702	562803525	/nfs/dbraw/zinc/80/35/25/562803525.db2.gz	RIUINLHDOIASQE-JUKOORMISA-N	-1	3	643.787	7.420	1	30		KKEFHM
O=C(C=Cc1ccccc1)C(=C([O-])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1OC(=O)c2ccccc21	ZINC000102944635	562813668	/nfs/dbraw/zinc/81/36/68/562813668.db2.gz	OELAZIOOJNXHDH-BCVGDKJSSA-N	-1	3	527.882	5.677	1	30		KKEFHM
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C(=C([O-])C=Cc1ccccc1)[C@@H]1OC(=O)c2ccccc21	ZINC000102944635	562813669	/nfs/dbraw/zinc/81/36/69/562813669.db2.gz	OELAZIOOJNXHDH-BCVGDKJSSA-N	-1	3	527.882	5.677	1	30		KKEFHM
Cc1cc(C#N)cc(C)c1Oc1ccc([N+](=O)[O-])c(NC2CCN(Cc3ccc(C(=O)[O-])cc3)CC2)c1	ZINC000103230401	562818169	/nfs/dbraw/zinc/81/81/69/562818169.db2.gz	GGHBBLWNYDMOIX-UHFFFAOYSA-N	-1	3	500.555	5.650	1	30		KKEFHM
O=C(NC[C@@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(F)cn1)[C@]([O-])(c1ccccc1)C(F)(F)F	ZINC000114404717	562828233	/nfs/dbraw/zinc/82/82/33/562828233.db2.gz	CMNNDSPUDJVCNI-WUFINQPMSA-N	-1	3	594.502	6.474	1	30		KKEFHM
COc1ccc(/C=N/c2ccc(-n3c(=O)c4cc(Br)ccc4nc3Cc3ccccc3Nc3c(Cl)cccc3Cl)cc2)c([O-])c1	ZINC000150588116	562845963	/nfs/dbraw/zinc/84/59/63/562845963.db2.gz	OOJCPBHRIZJFTM-JOXMEQDKSA-N	-1	3	700.420	9.254	1	30		KKEFHM
C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CCCc1ccc(-c2ccccc2)c(Cl)c1)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000165124139	562849844	/nfs/dbraw/zinc/84/98/44/562849844.db2.gz	LOAUOKWVGGODSI-PVLHBDHTSA-N	-1	3	578.153	6.250	1	30		KKEFHM
C[C@H](NC(=O)[C@H](NC(=O)[C@@H](CCCc1ccc(-c2ccccc2)c(F)c1)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000165114988	562849858	/nfs/dbraw/zinc/84/98/58/562849858.db2.gz	NXBDTIZSKZYBRI-PJISXUAISA-N	-1	3	561.698	5.735	1	30		KKEFHM
O=C(CCCCCCC(=O)Nc1cc2c(ncnc2Nc2ccc(N3CCCCC3)c(F)c2)s1)N[O-]	ZINC000299828538	562884519	/nfs/dbraw/zinc/88/45/19/562884519.db2.gz	RPWRDYIMQCEIAX-UHFFFAOYSA-N	-1	3	514.627	5.349	1	30		KKEFHM
C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccccc2C(F)(F)F)=C(c2ccc(/C(N)=N\[O-])cc2)O1	ZINC000299837425	562887458	/nfs/dbraw/zinc/88/74/58/562887458.db2.gz	QUFDJBJWJGUWOV-VWLOTQADSA-N	-1	3	516.541	5.364	1	30		KKEFHM
CCCCCCCCOC(=O)CCCC(=O)OCCN1CCN(c2cc([N-]c3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C)n2)CC1	ZINC000299861557	562893332	/nfs/dbraw/zinc/89/33/32/562893332.db2.gz	IMAIJPSRAGJCQB-UHFFFAOYSA-N	-1	3	714.333	6.938	1	30		KKEFHM
CCCCCCCCCCCCOC(=O)CCC(=O)OCCN1CCN(c2cc([N-]c3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C)n2)CC1	ZINC000299870700	562895518	/nfs/dbraw/zinc/89/55/18/562895518.db2.gz	WTDQHEGSBYUPPX-UHFFFAOYSA-N	-1	3	756.414	8.109	1	30		KKEFHM
CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2[O-])c1C#CC(C)(C)NCc1ccc(C(F)(F)F)cc1	ZINC000473090280	562897504	/nfs/dbraw/zinc/89/75/04/562897504.db2.gz	NYJJEDZAPVQCSV-UHFFFAOYSA-N	-1	3	529.559	5.565	1	30		KKEFHM
CCN(CC)c1ccc(/C=N/c2cc(C(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)ccc2OC)c([O-])c1	ZINC000473104944	562898184	/nfs/dbraw/zinc/89/81/84/562898184.db2.gz	QKULCRGQAPYDCL-CDEUTMJKSA-N	-1	3	518.610	5.920	1	30		KKEFHM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C3C4=C(CC(C)(C)CC4=O)N(c4ccc(S(N)(=O)=O)cc4)C4=C3C(=O)CC(C)(C)C4)c2)cc1	ZINC000473115349	562899054	/nfs/dbraw/zinc/89/90/54/562899054.db2.gz	SGPJHCHZBWEFLE-UHFFFAOYSA-N	-1	3	673.857	6.333	1	30		KKEFHM
CCCCCCCCC(=O)Nc1ccc(C[C@H]2C(=O)O[C@H]3c4cc(C)cc([O-])c4C4=C(C(=O)c5c(O[C@H]6C[C@@H](O)[C@@H](O)[C@H](C)O6)cccc5C4=O)N23)cc1	ZINC000473123101	562899536	/nfs/dbraw/zinc/89/95/36/562899536.db2.gz	KKTPQABJIXMCJH-UALUTEQUSA-N	-1	3	738.834	5.898	1	30		KKEFHM
C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1	ZINC000473157249	562902513	/nfs/dbraw/zinc/90/25/13/562902513.db2.gz	UQGTYRFJDKOVEQ-GOSISDBHSA-N	-1	3	646.629	5.981	1	30		KKEFHM
CCCCN([O-])C(=O)c1cccc(NC(=O)CCCCCS[C@@H]2Cc3cc(O)ccc3[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]23)c1	ZINC000653757080	562910989	/nfs/dbraw/zinc/91/09/89/562910989.db2.gz	JVMAHNUVIQGWMZ-XWIKPOQUSA-N	-1	3	608.845	7.152	1	30		KKEFHM
C[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)c(C(F)(F)F)c1)CC(=O)N[O-])C(C)(C)C)c1ccccc1	ZINC000653835858	562914717	/nfs/dbraw/zinc/91/47/17/562914717.db2.gz	MDHGHVZOCBQJRL-WCUBMSFQSA-N	-1	3	611.705	6.615	1	30		KKEFHM
C=CCc1cc(NC(=O)CCCCCCCCCCCCCCCCC)c([O-])c(-c2ccc(OC)c(CC=C)c2)c1	ZINC000653846198	562915181	/nfs/dbraw/zinc/91/51/81/562915181.db2.gz	FUWYDXKTUVFQJT-UHFFFAOYSA-N	-1	3	561.851	10.725	1	30		KKEFHM
CCCCCCCCCC[NH2+][C@H](c1cc(Br)ccc1[O-])C1=C([O-])c2ccccc2C(=O)C1=O	ZINC000653864013	562916114	/nfs/dbraw/zinc/91/61/14/562916114.db2.gz	CFJNUDIVPMUIBJ-XMMPIXPASA-N	-1	3	514.460	6.817	1	30		KKEFHM
CCCCCCCCCC[NH2+][C@H](c1cc(Br)ccc1[O-])C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000653864013	562916115	/nfs/dbraw/zinc/91/61/15/562916115.db2.gz	CFJNUDIVPMUIBJ-XMMPIXPASA-N	-1	3	514.460	6.817	1	30		KKEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@]2(CCCC[C@H]31)O[C@@H]2CC1(c2cc(N)nc(-c3ccnc(N)c3)c2)CCCC1	ZINC000085593975	565150536	/nfs/dbraw/zinc/15/05/36/565150536.db2.gz	RYHAGKZUAFOKPM-GISZOUCSSA-N	-1	3	666.775	6.209	1	30	biogenic,in-vitro	KKEFHM
CCCCCNc1cc(-c2cc(CC[C@H]3O[C@@]3(C)C(=O)O[C@@H]3Cc4c([O-])c5c(=O)cc(C)oc5cc4OC3(C)C)cc(N)n2)ccn1	ZINC000085594030	565150557	/nfs/dbraw/zinc/15/05/57/565150557.db2.gz	FROOKVCBOSIEMF-DFNFTQNPSA-N	-1	3	642.753	5.864	1	30	biogenic,in-vitro	KKEFHM
CCCCCNc1cc(-c2cc(CC[C@H]3O[C@@]3(C)C(=O)O[C@@H]3Cc4c(cc5oc(C)cc([O-])c-5c4=O)OC3(C)C)cc(N)n2)ccn1	ZINC000085594030	565150562	/nfs/dbraw/zinc/15/05/62/565150562.db2.gz	FROOKVCBOSIEMF-DFNFTQNPSA-N	-1	3	642.753	5.864	1	30	biogenic,in-vitro	KKEFHM
CCCC[C@@H]1C[C@H]2C(=O)C=C([O-])CCc3cc(OC)c(O)c(CCc4ccccc4)c3[C@@H](c3ccccc3)C#C[C@@H]2C[C@@H](Cc2ccnc(N)c2)C1	ZINC000085631539	565164504	/nfs/dbraw/zinc/16/45/04/565164504.db2.gz	BIUSNIJUNWYLMA-ZQCGDWPPSA-N	-1	3	696.932	8.855	1	30	biogenic,in-vitro	KKEFHM
CCCC[C@@H]1C[C@H]2C([O-])=CC(=O)CCc3cc(OC)c(O)c(CCc4ccccc4)c3[C@@H](c3ccccc3)C#C[C@@H]2C[C@@H](Cc2ccnc(N)c2)C1	ZINC000085631539	565164506	/nfs/dbraw/zinc/16/45/06/565164506.db2.gz	BIUSNIJUNWYLMA-ZQCGDWPPSA-N	-1	3	696.932	8.855	1	30	biogenic,in-vitro	KKEFHM
CCCCCCCCCCCCCCCC(=O)O[C@]12C=C[C@@H]3CC(C)(C)C[C@@H]3[C@@]1(C)C[C@H]2OC(=O)c1c(C)cc([O-])cc1O	ZINC000085599982	574411203	/nfs/dbraw/zinc/41/12/03/574411203.db2.gz	SFZLJVNEGHGCDQ-JMUGSSTBSA-N	-1	3	610.876	9.727	1	30	endogenous,in-man	KKEFHM