smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([C@@H]2[C@@H](C(=O)[O-])CCC(=O)N2Cc2ccccc2)cc1	ZINC000008729926	201759464	/nfs/dbraw/zinc/75/94/64/201759464.db2.gz	YIEUICZEWBOXGY-PKOBYXMFSA-N	-1	0	339.391	3.260	50	0		EGAARM
CC(C)CNC(=O)c1ccccc1[N-]S(=O)(=O)Cc1ccccc1	ZINC000012382284	201842095	/nfs/dbraw/zinc/84/20/95/201842095.db2.gz	HHXLKJXFPQANEO-UHFFFAOYSA-N	-1	0	346.452	3.014	50	0		EGAARM
O=c1[n-]c(SCc2ccc(F)cc2)nnc1Cc1cccs1	ZINC000019897647	202024898	/nfs/dbraw/zinc/02/48/98/202024898.db2.gz	ZMHAZKBFPFZHCY-UHFFFAOYSA-N	-1	0	333.413	3.249	50	0		EGAARM
COc1ccc(-c2noc(-c3c[n-]c4ccccc4c3=O)n2)cc1OC	ZINC000020737348	202053321	/nfs/dbraw/zinc/05/33/21/202053321.db2.gz	HBCSLXUMHDHDBB-UHFFFAOYSA-N	-1	0	349.346	3.262	50	0		EGAARM
Cc1ccc(C2=N/C(=C\c3ccccc3)C(=O)N2CCC(=O)[O-])cc1	ZINC000026688753	202146014	/nfs/dbraw/zinc/14/60/14/202146014.db2.gz	VZVTVCQRJGLSCT-LGMDPLHJSA-N	-1	0	334.375	3.100	50	0		EGAARM
O=C([O-])CN1C(=O)S/C(=C\c2c(Cl)cccc2Cl)C1=O	ZINC000001799946	304066945	/nfs/dbraw/zinc/06/69/45/304066945.db2.gz	BNHOOWAWBKEXGT-WTKPLQERSA-N	-1	0	332.164	3.114	50	0		EGAARM
CC(C)(C)OC(=O)N[C@H](CCCCOCc1ccccc1)C(=O)[O-]	ZINC000039778402	202414858	/nfs/dbraw/zinc/41/48/58/202414858.db2.gz	DBZKZRCKEODFMS-OAHLLOKOSA-N	-1	0	337.416	3.351	50	0		EGAARM
C=C/C(=C\C=C\C)N1C(=O)S[C@@H](Nc2ccc(C(=O)[O-])cc2)C1=O	ZINC000039988985	202418463	/nfs/dbraw/zinc/41/84/63/202418463.db2.gz	UPMXVUQLIBGFNN-JIIMVLMMSA-N	-1	0	344.392	3.464	50	0		EGAARM
CCOC(=O)COc1cc([O-])cc2oc(-c3ccccc3)cc(=O)c12	ZINC000011865281	201363612	/nfs/dbraw/zinc/36/36/12/201363612.db2.gz	BSMAKKRXFNXVNW-UHFFFAOYSA-N	-1	0	340.331	3.108	50	0	biogenic	EGAARM
CCc1cc(-c2n[nH]cc2-c2ccc3c(c2)OCCO3)c(O)cc1O	ZINC000003985172	201360053	/nfs/dbraw/zinc/36/00/53/201360053.db2.gz	RTNZWGMBYCVCPK-UHFFFAOYSA-N	-1	0	338.363	3.489	50	0	biogenic	EGAARM
CC(=O)c1ccc(NC(=O)CSCc2ccc(C(=O)[O-])o2)cc1	ZINC000057352045	202720252	/nfs/dbraw/zinc/72/02/52/202720252.db2.gz	KNHFHVPXMNFMSB-UHFFFAOYSA-N	-1	0	333.365	3.052	50	0		EGAARM
COc1ccc(C(CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1OC	ZINC000000217006	201450883	/nfs/dbraw/zinc/45/08/83/201450883.db2.gz	KSZUUOFEQVFRQF-UHFFFAOYSA-N	-1	0	346.379	3.328	50	0	biogenic	EGAARM
CC1(C)CCCC2=C1C[C@@H](C(=O)[O-])[C@@H](C(=O)NCc1cccnc1)C2	ZINC000003256153	201561817	/nfs/dbraw/zinc/56/18/17/201561817.db2.gz	NETGOTNPMXBIPT-JKSUJKDBSA-N	-1	0	342.439	3.315	50	0		EGAARM
Cc1cccc(CN(C)c2nccc(-c3cc(C(=O)[O-])ccn3)n2)c1	ZINC000071750880	203105960	/nfs/dbraw/zinc/10/59/60/203105960.db2.gz	TUSSGPOZWNRKGV-UHFFFAOYSA-N	-1	0	334.379	3.182	50	0		EGAARM
COc1c(F)cccc1C(=O)N1CC[C@H](c2ccccc2C(=O)[O-])C1	ZINC000072158606	203176716	/nfs/dbraw/zinc/17/67/16/203176716.db2.gz	VDXSCIRIAYGFTC-LBPRGKRZSA-N	-1	0	343.354	3.162	50	0		EGAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4C)c=3c2=O)cc1	ZINC000101167697	204002073	/nfs/dbraw/zinc/00/20/73/204002073.db2.gz	FWTWOUCONSBOKO-ZWKOTPCHSA-N	-1	0	348.406	3.051	50	0		EGAARM
CCN(c1ccc(Cl)cc1C(=O)[O-])S(=O)(=O)c1ccccc1	ZINC000016622845	211920616	/nfs/dbraw/zinc/92/06/16/211920616.db2.gz	CQMRXSLMHUJVBQ-UHFFFAOYSA-N	-1	0	339.800	3.253	50	0		EGAARM
COc1ccc(-c2oc3ccccc3c(=O)c2O[C@@H](C)C(=O)[O-])cc1	ZINC000000151198	205415990	/nfs/dbraw/zinc/41/59/90/205415990.db2.gz	QFVVEOVMEWNQHV-NSHDSACASA-N	-1	0	340.331	3.321	50	0	biogenic,in-vitro	EGAARM
O=C([O-])c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1	ZINC000000203568	304250627	/nfs/dbraw/zinc/25/06/27/304250627.db2.gz	LRERUEHSZCRKIC-KRWDZBQOSA-N	-1	0	327.405	3.202	50	0		EGAARM
CC(C)(C)OC(=O)N1CCC2(Cc3cc(C(=O)[O-])ccc3O2)CC1	ZINC000218899202	278384955	/nfs/dbraw/zinc/38/49/55/278384955.db2.gz	GWTMKPRHZSHKOV-UHFFFAOYSA-N	-1	0	333.384	3.089	50	0		EGAARM
CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1	ZINC000000087851	452504093	/nfs/dbraw/zinc/50/40/93/452504093.db2.gz	VDVFCUWNCMDHJU-UHFFFAOYSA-N	-1	0	326.352	3.232	50	0		EGAARM
CCOc1ccc(-c2csc3ncn([C@@H](C)C(=O)[O-])c(=O)c23)cc1	ZINC000000131637	452515193	/nfs/dbraw/zinc/51/51/93/452515193.db2.gz	FAJBZPAGJFAZIR-JTQLQIEISA-N	-1	0	344.392	3.169	50	0		EGAARM
Cc1oc(C(=O)[O-])cc1CSc1nnc(-c2ccccc2)n1C	ZINC000000269530	452552019	/nfs/dbraw/zinc/55/20/19/452552019.db2.gz	YNTCXSUZMHEOLF-UHFFFAOYSA-N	-1	0	329.381	3.374	50	0		EGAARM
Nc1nc(NCCc2ccccc2)nc(-c2cc(Cl)ccc2[O-])n1	ZINC000000347254	452568667	/nfs/dbraw/zinc/56/86/67/452568667.db2.gz	NCPHBPHEMUDTST-UHFFFAOYSA-N	-1	0	341.802	3.134	50	0		EGAARM
Cc1ccc(CSC[C@@H]2Nc3ccc(C(=O)[O-])cc3NC2=O)cc1	ZINC000000617340	452632953	/nfs/dbraw/zinc/63/29/53/452632953.db2.gz	KWENFYQTCXEYRT-INIZCTEOSA-N	-1	0	342.420	3.359	50	0		EGAARM
COc1cc([N-]S(=O)(=O)c2cccs2)c(OC)cc1Cl	ZINC000003348258	452760490	/nfs/dbraw/zinc/76/04/90/452760490.db2.gz	KEXIYDXJSRPXPX-UHFFFAOYSA-N	-1	0	333.818	3.220	50	0		EGAARM
CCCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccccc2)cc1	ZINC000003623515	452785737	/nfs/dbraw/zinc/78/57/37/452785737.db2.gz	NXZJQZBAQFGBEK-QGZVFWFLSA-N	-1	0	327.380	3.421	50	0		EGAARM
Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc(NC(=O)C(=O)[O-])cc1	ZINC000004553292	452808036	/nfs/dbraw/zinc/80/80/36/452808036.db2.gz	ZXIXOUSBHXFWHQ-UHFFFAOYSA-N	-1	0	344.367	3.161	50	0		EGAARM
C[C@@H](NC(=O)c1ccccc1C(=O)[O-])c1ccc(-n2ccnc2)cc1	ZINC000004945467	452828294	/nfs/dbraw/zinc/82/82/94/452828294.db2.gz	SLZCTDVWWHNJOG-CYBMUJFWSA-N	-1	0	335.363	3.062	50	0		EGAARM
COc1ccc(C)cc1Nc1nnc(Cc2ccc(C)cc2)c(=O)[n-]1	ZINC000005154478	452839592	/nfs/dbraw/zinc/83/95/92/452839592.db2.gz	SEMVCXAKSSTLFL-UHFFFAOYSA-N	-1	0	336.395	3.125	50	0		EGAARM
O=C([O-])c1cccc(NS(=O)(=O)c2cccc3ccccc32)c1	ZINC000005234123	452850650	/nfs/dbraw/zinc/85/06/50/452850650.db2.gz	QPZBRDXXEIIZBR-UHFFFAOYSA-N	-1	0	327.361	3.339	50	0		EGAARM
CCn1nc(NC(=O)CCCC(=O)[O-])c2cc3ccc(C)cc3nc21	ZINC000005271486	452855334	/nfs/dbraw/zinc/85/53/34/452855334.db2.gz	HSNRTSSFPVDEJB-UHFFFAOYSA-N	-1	0	340.383	3.106	50	0		EGAARM
Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1Cc1ccc(Cl)cc1	ZINC000005354815	452863099	/nfs/dbraw/zinc/86/30/99/452863099.db2.gz	ZLCWGJYYWJLEFT-HNNXBMFYSA-N	-1	0	328.803	3.328	50	0		EGAARM
O=S(=O)([N-]c1ccccc1CO)c1c(Cl)cccc1Cl	ZINC000005582839	452887140	/nfs/dbraw/zinc/88/71/40/452887140.db2.gz	KXJABKSZDWQWBO-UHFFFAOYSA-N	-1	0	332.208	3.287	50	0		EGAARM
COc1ccc(-c2c([O-])c3c(OC)cc(OC)cc3oc2=O)cc1	ZINC000006411528	452942562	/nfs/dbraw/zinc/94/25/62/452942562.db2.gz	KMPCCVCJEXOHPJ-UHFFFAOYSA-N	-1	0	328.320	3.191	50	0		EGAARM
COC(=O)c1sccc1S(=O)(=O)[N-]c1cccc(Cl)c1C	ZINC000006916773	453007927	/nfs/dbraw/zinc/00/79/27/453007927.db2.gz	DINPKOLCTLTMRQ-UHFFFAOYSA-N	-1	0	345.829	3.297	50	0		EGAARM
O=C([O-])CCSc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1	ZINC000007343701	453061846	/nfs/dbraw/zinc/06/18/46/453061846.db2.gz	YUCMABKIOLAAHP-UHFFFAOYSA-N	-1	0	326.377	3.361	50	0		EGAARM
O=C([O-])CC1(CNS(=O)(=O)c2ccc(Cl)cc2)CCCCC1	ZINC000008733327	453231330	/nfs/dbraw/zinc/23/13/30/453231330.db2.gz	PVRBTYSULFFZLN-UHFFFAOYSA-N	-1	0	345.848	3.044	50	0		EGAARM
CC(C)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1	ZINC000009230433	453245789	/nfs/dbraw/zinc/24/57/89/453245789.db2.gz	ZRYUGWZGHJPHCX-HUUCEWRRSA-N	-1	0	332.400	3.111	50	0		EGAARM
CCc1c(C)nc2c(-c3ccc(Cl)cc3)c(COC)[n-]n2c1=O	ZINC000009261046	453249702	/nfs/dbraw/zinc/24/97/02/453249702.db2.gz	ASUATXDDUHAGED-UHFFFAOYSA-N	-1	0	331.803	3.360	50	0		EGAARM
CCCCOc1cccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1	ZINC000011951794	453339872	/nfs/dbraw/zinc/33/98/72/453339872.db2.gz	RXTWKCULUQXSLW-IAGOWNOFSA-N	-1	0	333.428	3.373	50	0		EGAARM
Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)[N-]c1ccccc1	ZINC000014254331	453526363	/nfs/dbraw/zinc/52/63/63/453526363.db2.gz	UXVHKYFTEHXIHH-UHFFFAOYSA-N	-1	0	327.409	3.290	50	0		EGAARM
Nc1ccccc1-c1nnc(SCc2ccccc2F)[n-]c1=O	ZINC000018164940	453646002	/nfs/dbraw/zinc/64/60/02/453646002.db2.gz	OKYVDYUJALFLCP-UHFFFAOYSA-N	-1	0	328.372	3.258	50	0		EGAARM
Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@H](C)CC(=O)[O-])cc1	ZINC000019864673	453660041	/nfs/dbraw/zinc/66/00/41/453660041.db2.gz	LTAXBCNVJHAYCL-CQSZACIVSA-N	-1	0	333.409	3.054	50	0		EGAARM
O=C([O-])c1ccc(-c2nccn2CCCn2nccc2C2CC2)cc1	ZINC000082096265	453923228	/nfs/dbraw/zinc/92/32/28/453923228.db2.gz	TWANEOLGNDSLPT-UHFFFAOYSA-N	-1	0	336.395	3.413	50	0		EGAARM
O=C([O-])[C@H](Cc1cccc(Cl)c1)NC(=O)OCc1ccccc1	ZINC000039956997	453945845	/nfs/dbraw/zinc/94/58/45/453945845.db2.gz	IWFZOONMJOMOIW-HNNXBMFYSA-N	-1	0	333.771	3.262	50	0		EGAARM
CCOc1ccc(-n2nnc(-c3nc(C)c(C(=O)[O-])s3)c2C)cc1	ZINC000040478837	453950995	/nfs/dbraw/zinc/95/09/95/453950995.db2.gz	NJAWALQHWFLJEI-UHFFFAOYSA-N	-1	0	344.396	3.105	50	0		EGAARM
Cc1c(C(=O)[O-])sc2ncnc(NCc3cc(CC(C)C)on3)c12	ZINC000067871835	453975199	/nfs/dbraw/zinc/97/51/99/453975199.db2.gz	NWDOCBDSQOJEAF-UHFFFAOYSA-N	-1	0	346.412	3.497	50	0		EGAARM
Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1[C@H]1OC(=O)c2ccccc21	ZINC000100287277	454464944	/nfs/dbraw/zinc/46/49/44/454464944.db2.gz	JRMYHMGBFVARON-INIZCTEOSA-N	-1	0	346.346	3.022	50	0		EGAARM
CCCc1ncncc1C(=O)N1CCC[C@](CC=C(C)C)(C(=O)[O-])C1	ZINC000091935260	454491576	/nfs/dbraw/zinc/49/15/76/454491576.db2.gz	WQGMTDLYXKLFGI-LJQANCHMSA-N	-1	0	345.443	3.092	50	0		EGAARM
Cc1ccc(NC(=O)c2c([O-])c3sccc3n(C)c2=O)cc1C	ZINC000049409454	454547744	/nfs/dbraw/zinc/54/77/44/454547744.db2.gz	VERMDPXXBYJTBR-UHFFFAOYSA-N	-1	0	328.393	3.175	50	0		EGAARM
COc1cccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-])c1	ZINC000117002485	455077147	/nfs/dbraw/zinc/07/71/47/455077147.db2.gz	AUHLGNLEEOAHPZ-GJZGRUSLSA-N	-1	0	335.400	3.120	50	0		EGAARM
O=C([O-])Cn1ccc([C@@H]2CCC[N@H+](Cc3ccc(Cl)s3)C2)n1	ZINC000426552336	457854509	/nfs/dbraw/zinc/85/45/09/457854509.db2.gz	MOLUINQQMWKTGX-LLVKDONJSA-N	-1	0	339.848	3.062	50	0		EGAARM
CC(C)N(C(=O)c1ccccc1-c1cn(C)nc1C(=O)[O-])C(C)C	ZINC000534652488	459343365	/nfs/dbraw/zinc/34/33/65/459343365.db2.gz	ONGITIVCKKIPTO-UHFFFAOYSA-N	-1	0	329.400	3.044	50	0		EGAARM
CCCN(Cc1cccc(OC)c1)C(=O)NC1(C(=O)[O-])CCCC1	ZINC000670464097	548220367	/nfs/dbraw/zinc/22/03/67/548220367.db2.gz	RHDNJWODLMWOOR-UHFFFAOYSA-N	-1	0	334.416	3.014	50	0		EGAARM
C[C@H](Cc1ccoc1)NS(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000206664355	564006056	/nfs/dbraw/zinc/00/60/56/564006056.db2.gz	UXCHEFSLGOBKFA-SECBINFHSA-N	-1	0	334.224	3.496	50	0		EGAARM
Cc1cc(-c2nnc(SCC(=O)[O-])n2[C@@H](C)c2ccccc2)on1	ZINC000067459246	1292160665	/nfs/dbraw/zinc/16/06/65/1292160665.db2.gz	NSILEQHHEDWCHO-NSHDSACASA-N	-1	0	344.396	3.028	50	0		EGAARM
COc1ccc(-c2onc(NC[C@H]3CCCCO3)c2C(=O)[O-])cc1	ZINC001704326123	1416444703	/nfs/dbraw/zinc/44/47/03/1416444703.db2.gz	XPMCRIYVBDDFEL-CYBMUJFWSA-N	-1	0	332.356	3.029	50	0		EGAARM
CC[C@@H](CNc1noc(-c2ccc(F)c(OC)c2)c1C(=O)[O-])OC	ZINC001704354633	1416453713	/nfs/dbraw/zinc/45/37/13/1416453713.db2.gz	HQWWEUGUNRRULG-JTQLQIEISA-N	-1	0	338.335	3.024	50	0		EGAARM
Cc1ccc(C[C@@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]2C)cc1	ZINC000100807288	219107100	/nfs/dbraw/zinc/10/71/00/219107100.db2.gz	FSEOBRZHMXJHRR-DYVFJYSZSA-N	-1	0	337.375	3.061	50	0		EGAARM
CC(C)C(=O)Nc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1	ZINC000009230432	201771665	/nfs/dbraw/zinc/77/16/65/201771665.db2.gz	ZRYUGWZGHJPHCX-GJZGRUSLSA-N	-1	0	332.400	3.111	50	0		EGAARM
CCC(=O)Oc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2C)cc1	ZINC000016606956	201976418	/nfs/dbraw/zinc/97/64/18/201976418.db2.gz	AZZQQOCCRZWIGH-UHFFFAOYSA-N	-1	0	327.336	3.261	50	0		EGAARM
O=C([O-])COc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1	ZINC000022015405	304070329	/nfs/dbraw/zinc/07/03/29/304070329.db2.gz	YFQOUUOEKOIYSD-UHFFFAOYSA-N	-1	0	329.396	3.305	50	0		EGAARM
O=C([O-])Cc1c(F)c(Br)cc(Br)c1F	ZINC000263624896	304088049	/nfs/dbraw/zinc/08/80/49/304088049.db2.gz	UZSQTSHLKSRHAV-UHFFFAOYSA-N	-1	0	329.922	3.117	50	0		EGAARM
O=C([O-])CC1(CNC(=O)Cn2ccc3ccccc32)CCCCC1	ZINC000036357274	202322903	/nfs/dbraw/zinc/32/29/03/202322903.db2.gz	NBOOEJCMTUQGNM-UHFFFAOYSA-N	-1	0	328.412	3.183	50	0		EGAARM
O=C([O-])C1(Oc2ccccc2F)CCN(C(=O)[C@@H]2CC=CCC2)CC1	ZINC000072432512	216227274	/nfs/dbraw/zinc/22/72/74/216227274.db2.gz	HVMNNZAOHRAWNT-CQSZACIVSA-N	-1	0	347.386	3.007	50	0		EGAARM
O=C([O-])[C@@H]1CC=C(Cl)C[C@H]1C(=O)Nc1nc2ccccc2s1	ZINC000004181303	304099634	/nfs/dbraw/zinc/09/96/34/304099634.db2.gz	JUWQMDZYNWZPIF-NXEZZACHSA-N	-1	0	336.800	3.468	50	0		EGAARM
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N1CCC(Cc2ccccc2)CC1	ZINC000000214449	304099909	/nfs/dbraw/zinc/09/99/09/304099909.db2.gz	ROMRGVRAGUOOTR-QZTJIDSGSA-N	-1	0	327.424	3.135	50	0		EGAARM
Cc1cccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)[C@H](C)C4)c1	ZINC000299738286	201354709	/nfs/dbraw/zinc/35/47/09/201354709.db2.gz	QYFTZVPYUNAXEP-GFCCVEGCSA-N	-1	0	334.375	3.385	50	0		EGAARM
CC(C)Oc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2ccccc2)cc1	ZINC000000106258	201435350	/nfs/dbraw/zinc/43/53/50/201435350.db2.gz	QDBRPWBSAVOYIV-SFHVURJKSA-N	-1	0	341.407	3.349	50	0		EGAARM
COc1cc([C@H]2CC(=O)Nc3c2c(=O)[nH]n3C2CCCC2)ccc1O	ZINC000071279220	203088283	/nfs/dbraw/zinc/08/82/83/203088283.db2.gz	AJCZPSZVOZTGMI-GFCCVEGCSA-N	-1	0	343.383	3.129	50	0		EGAARM
COc1cc(O)ccc1-c1nccn1[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000071614927	203101382	/nfs/dbraw/zinc/10/13/82/203101382.db2.gz	VILBLFVGTRWIOV-INIZCTEOSA-N	-1	0	338.363	3.133	50	0		EGAARM
Cc1cccc(OC2(C(=O)[O-])CCN(C(=O)[C@@H]3CC34CCC4)CC2)c1	ZINC000072448461	203227032	/nfs/dbraw/zinc/22/70/32/203227032.db2.gz	XXJWWMKXFHXCDF-INIZCTEOSA-N	-1	0	343.423	3.010	50	0		EGAARM
Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)cc1	ZINC000101260790	204003195	/nfs/dbraw/zinc/00/31/95/204003195.db2.gz	XEJIEUJYFDJMAJ-IRXDYDNUSA-N	-1	0	334.379	3.110	50	0		EGAARM
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N[C@H](CC(F)(F)F)c1ccccc1	ZINC000106828143	207798934	/nfs/dbraw/zinc/79/89/34/207798934.db2.gz	FODSKLMUGWDHFB-MGPQQGTHSA-N	-1	0	341.329	3.463	50	0		EGAARM
O=C([O-])c1nnn(-c2cccc(C(F)(F)F)c2)c1-c1ccncc1	ZINC000011730795	304285341	/nfs/dbraw/zinc/28/53/41/304285341.db2.gz	LTVAVNYLKGBHLO-UHFFFAOYSA-N	-1	0	334.257	3.046	50	0		EGAARM
Cc1ccc(Sc2ccc(N3CCC(C(=O)[O-])CC3)nn2)cc1	ZINC000040478929	132399646	/nfs/dbraw/zinc/39/96/46/132399646.db2.gz	ISIXTUDDUXTKGE-UHFFFAOYSA-N	-1	0	329.425	3.237	50	0		EGAARM
CC(C)c1ccccc1NC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000004756733	276061626	/nfs/dbraw/zinc/06/16/26/276061626.db2.gz	VORKPEJWHIVXKJ-UHFFFAOYSA-N	-1	0	332.425	3.434	50	0		EGAARM
O=C1NC(=O)C(=Cc2cc(Cl)cc(Br)c2[O-])S1	ZINC000001231170	280278274	/nfs/dbraw/zinc/27/82/74/280278274.db2.gz	MQHNNWACZDZXIP-FARCUNLSSA-N	-1	0	334.578	3.132	50	0		EGAARM
COc1ccc(OC)c(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])c1	ZINC000004976842	295177067	/nfs/dbraw/zinc/17/70/67/295177067.db2.gz	LOYKPULWUVGEGO-KBPBESRZSA-N	-1	0	333.384	3.090	50	0		EGAARM
O=S(=O)(C=C([O-])c1ccc(Cl)cc1)c1ccc(F)cc1F	ZINC000067340708	453923099	/nfs/dbraw/zinc/92/30/99/453923099.db2.gz	JIYBOXGAWPICIR-UHFFFAOYSA-N	-1	0	330.739	3.275	50	0		EGAARM
C[C@@H](C(=O)[O-])N(C)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000000057597	452495976	/nfs/dbraw/zinc/49/59/76/452495976.db2.gz	JOFHWKQIQLPZTC-LBPRGKRZSA-N	-1	0	325.364	3.340	50	0		EGAARM
CC[C@H](C(=O)[O-])n1cnc2scc(-c3ccc(C)cc3)c2c1=O	ZINC000000098502	452505713	/nfs/dbraw/zinc/50/57/13/452505713.db2.gz	MRWAQKPNTRTKRT-CYBMUJFWSA-N	-1	0	328.393	3.469	50	0		EGAARM
C[C@@H](C(=O)[O-])n1cnc2scc(-c3ccc(Cl)cc3)c2c1=O	ZINC000000145071	452520161	/nfs/dbraw/zinc/52/01/61/452520161.db2.gz	MRVBIPZFDCCVAN-QMMMGPOBSA-N	-1	0	334.784	3.424	50	0		EGAARM
CC(=O)c1cccc([N-]S(=O)(=O)c2cccc3cccnc32)c1	ZINC000000423509	452587689	/nfs/dbraw/zinc/58/76/89/452587689.db2.gz	HLFCFJZZIBLLCO-UHFFFAOYSA-N	-1	0	326.377	3.238	50	0		EGAARM
CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C)cc3C)ccc21	ZINC000000428693	452588937	/nfs/dbraw/zinc/58/89/37/452588937.db2.gz	DAIWJDIOFWUZQU-UHFFFAOYSA-N	-1	0	344.436	3.013	50	0		EGAARM
O=C(C[C@@H](c1ccccc1)c1cc(Cl)ccc1O)N1CCOCC1	ZINC000000620439	452632742	/nfs/dbraw/zinc/63/27/42/452632742.db2.gz	ZLKNHHFIWKKHRC-INIZCTEOSA-N	-1	0	345.826	3.426	50	0		EGAARM
O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1cccc(Br)c1	ZINC000002379741	452694922	/nfs/dbraw/zinc/69/49/22/452694922.db2.gz	RNUCHTKNUCXXPR-NEPJUHHUSA-N	-1	0	326.190	3.279	50	0		EGAARM
C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000002761481	452720655	/nfs/dbraw/zinc/72/06/55/452720655.db2.gz	CLOZXEURTKQOGR-NSHDSACASA-N	-1	0	333.771	3.122	50	0		EGAARM
CCCn1nc(NC(=O)CCC(=O)[O-])c2cc3cc(C)ccc3nc21	ZINC000004502253	452806911	/nfs/dbraw/zinc/80/69/11/452806911.db2.gz	QCTBHFLHJRCVOG-UHFFFAOYSA-N	-1	0	340.383	3.106	50	0		EGAARM
CCCCCC[C@H](O)C[C@@H](O)[C@H](O)CCCCCCCC(=O)[O-]	ZINC000006203415	452924980	/nfs/dbraw/zinc/92/49/80/452924980.db2.gz	DJKUVMZEGIWUTP-GVDBMIGSSA-N	-1	0	332.481	3.245	50	0		EGAARM
C[C@H](NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])C12CC3CC(CC(C3)C1)C2	ZINC000006249664	452928308	/nfs/dbraw/zinc/92/83/08/452928308.db2.gz	LWNFGAHZGNWAKY-ROPHWIFQSA-N	-1	0	331.456	3.375	50	0		EGAARM
C[C@@H](Sc1nnc(-c2ccccc2O)n1-c1ccccc1)C(=O)[O-]	ZINC000006670360	452967951	/nfs/dbraw/zinc/96/79/51/452967951.db2.gz	YYNPQUDMCKOEFV-LLVKDONJSA-N	-1	0	341.392	3.205	50	0		EGAARM
Cc1cc(Br)c(S(=O)(=O)[N-]c2cccnc2)cc1C	ZINC000006706829	452976078	/nfs/dbraw/zinc/97/60/78/452976078.db2.gz	WEOFIHJCMVBTQP-UHFFFAOYSA-N	-1	0	341.230	3.262	50	0		EGAARM
COc1cc(OC)c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1Cl	ZINC000006731852	452979810	/nfs/dbraw/zinc/97/98/10/452979810.db2.gz	CNZSIQRCTSPQIN-UWVGGRQHSA-N	-1	0	341.791	3.187	50	0		EGAARM
COc1cc(S(=O)(=O)[N-]c2cccc(C)c2C)c(OC)cc1C	ZINC000008132542	453166996	/nfs/dbraw/zinc/16/69/96/453166996.db2.gz	LZEMCOXCMVRQPJ-UHFFFAOYSA-N	-1	0	335.425	3.430	50	0		EGAARM
COc1cc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c(OC)cc1C	ZINC000008132583	453167695	/nfs/dbraw/zinc/16/76/95/453167695.db2.gz	XFMSORQXTRKWJE-UHFFFAOYSA-N	-1	0	335.425	3.430	50	0		EGAARM
O=C([O-])c1nc(-c2ccccc2)n(-c2ccc(Br)cc2)n1	ZINC000008730824	453228936	/nfs/dbraw/zinc/22/89/36/453228936.db2.gz	UOOYHABNJZCNTP-UHFFFAOYSA-N	-1	0	344.168	3.395	50	0		EGAARM
O=C(NCc1cc(=O)n(-c2ccccc2)[n-]1)c1ccc2ccccc2c1	ZINC000008769862	453233514	/nfs/dbraw/zinc/23/35/14/453233514.db2.gz	AGWLJJMAYKSOCX-UHFFFAOYSA-N	-1	0	343.386	3.249	50	0		EGAARM
O=C1CCc2cc([N-]S(=O)(=O)c3ccccc3Cl)ccc2N1	ZINC000008962472	453237847	/nfs/dbraw/zinc/23/78/47/453237847.db2.gz	MZXFBZIVBKIVKN-UHFFFAOYSA-N	-1	0	336.800	3.026	50	0		EGAARM
O=C([O-])c1cc(-c2ccccc2)nc2c1cnn2Cc1cccnc1	ZINC000009683207	453259323	/nfs/dbraw/zinc/25/93/23/453259323.db2.gz	COGYOLZVCQRYIJ-UHFFFAOYSA-N	-1	0	330.347	3.240	50	0		EGAARM
CCCCNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000010055019	453272467	/nfs/dbraw/zinc/27/24/67/453272467.db2.gz	OUTNWLNPZMSZLC-UHFFFAOYSA-N	-1	0	338.454	3.079	50	0		EGAARM
CCOc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1OC	ZINC000010301996	453283352	/nfs/dbraw/zinc/28/33/52/453283352.db2.gz	DKSQLBPUWZUZGC-UHFFFAOYSA-N	-1	0	325.361	3.034	50	0		EGAARM
CCCc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OC)cc1	ZINC000014257107	453528592	/nfs/dbraw/zinc/52/85/92/453528592.db2.gz	MELRUKCLGGDRIN-UHFFFAOYSA-N	-1	0	333.409	3.227	50	0		EGAARM
O=C([O-])/C(Cl)=C(/Cl)C(=O)Nc1cccc(C(F)(F)F)c1	ZINC000017176650	453631042	/nfs/dbraw/zinc/63/10/42/453631042.db2.gz	LULYSGMUJIBQIT-FPLPWBNLSA-N	-1	0	328.073	3.418	50	0		EGAARM
O=C([O-])CCCCCNC(=O)CCn1ccc2ccc(Cl)cc21	ZINC000040309452	453949642	/nfs/dbraw/zinc/94/96/42/453949642.db2.gz	MULDVSHPDVXSIX-UHFFFAOYSA-N	-1	0	336.819	3.446	50	0	biogenic	EGAARM
O=C([O-])CCc1nc2ccccc2n1-c1ccc(C(F)(F)F)nc1	ZINC000067724474	453960841	/nfs/dbraw/zinc/96/08/41/453960841.db2.gz	RZNXLEWLFPGSJV-UHFFFAOYSA-N	-1	0	335.285	3.457	50	0		EGAARM
O=C(CCc1cc(=O)[n-]o1)N1CCCC[C@H]1CCc1ccc(O)cc1	ZINC000055153456	453965923	/nfs/dbraw/zinc/96/59/23/453965923.db2.gz	XRVLUGZCOIEJBX-HNNXBMFYSA-N	-1	0	344.411	3.032	50	0		EGAARM
O=C([O-])c1cnn(-c2ccc(OC(F)(F)F)cc2)c1-n1cccc1	ZINC000044901554	454125940	/nfs/dbraw/zinc/12/59/40/454125940.db2.gz	PXIIFUNIAOAVPA-UHFFFAOYSA-N	-1	0	337.257	3.260	50	0		EGAARM
O=C([O-])c1nc(N2CCC[C@@H](OCc3ccccn3)C2)ccc1Cl	ZINC000096148068	454292666	/nfs/dbraw/zinc/29/26/66/454292666.db2.gz	KNTGXOAWKGPQMQ-CYBMUJFWSA-N	-1	0	347.802	3.014	50	0		EGAARM
CCCn1c2ccccc2c([O-])c(C(=O)Nc2ncccc2C)c1=O	ZINC000100504425	454466146	/nfs/dbraw/zinc/46/61/46/454466146.db2.gz	PTXGZMOYXGGLBS-UHFFFAOYSA-N	-1	0	337.379	3.073	50	0		EGAARM
CCc1ccccc1NC(=O)CSc1nc(=O)c2sccc2[n-]1	ZINC000051317184	454618559	/nfs/dbraw/zinc/61/85/59/454618559.db2.gz	JURCSUKGSPDOGR-UHFFFAOYSA-N	-1	0	345.449	3.278	50	0		EGAARM
COc1cccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)[O-])c1	ZINC000117002488	455077023	/nfs/dbraw/zinc/07/70/23/455077023.db2.gz	AUHLGNLEEOAHPZ-LSDHHAIUSA-N	-1	0	335.400	3.120	50	0		EGAARM
COc1ccc([P@](=O)([O-])N2CCCC[C@H]2c2cccnc2)cc1	ZINC000263621537	456178936	/nfs/dbraw/zinc/17/89/36/456178936.db2.gz	FSFLRRUUVLFUGK-KRWDZBQOSA-N	-1	0	332.340	3.128	50	0	biogenic	EGAARM
O=C([O-])COc1ccc(-c2cc(F)ccc2OC[C@H]2CCOC2)cc1	ZINC000578338524	459184513	/nfs/dbraw/zinc/18/45/13/459184513.db2.gz	LQTIXJQKAMDZIW-ZDUSSCGKSA-N	-1	0	346.354	3.371	50	0		EGAARM
COc1ccc(F)cc1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)[O-]	ZINC000221038384	547243876	/nfs/dbraw/zinc/24/38/76/547243876.db2.gz	ODOZJSJHKUMCJK-FZMZJTMJSA-N	-1	0	339.363	3.012	50	0		EGAARM
CN(Cc1c(Cl)ccc([O-])c1Cl)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1	ZINC001704303004	1416434345	/nfs/dbraw/zinc/43/43/45/1416434345.db2.gz	VMIZXUDUJXWUDS-OUAUKWLOSA-N	-1	0	343.254	3.046	50	0		EGAARM
COCC[C@H]1CCCN(c2noc(-c3ccccc3)c2C(=O)[O-])C1	ZINC001704315604	1416440081	/nfs/dbraw/zinc/44/00/81/1416440081.db2.gz	LSZGJXCWIUWFDB-CYBMUJFWSA-N	-1	0	330.384	3.293	50	0		EGAARM
O=C([O-])c1nc(SCc2ccc(F)cc2)ncc1Br	ZINC000008915501	201763791	/nfs/dbraw/zinc/76/37/91/201763791.db2.gz	WYEKNXMDKOMZDH-UHFFFAOYSA-N	-1	0	343.177	3.369	50	0		EGAARM
O=C([O-])C[C@H]1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1	ZINC000038025327	202087353	/nfs/dbraw/zinc/08/73/53/202087353.db2.gz	XDGLDEUDAYWMPC-LLVKDONJSA-N	-1	0	330.211	3.392	50	0		EGAARM
COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1cccc(O)c1	ZINC000032601885	202229273	/nfs/dbraw/zinc/22/92/73/202229273.db2.gz	BBVVGUBPZOCOEW-UHFFFAOYSA-N	-1	0	327.789	3.163	50	0		EGAARM
O=C([O-])CCN1C(=O)S/C(=C\C(Cl)=C\c2ccccc2)C1=O	ZINC000033558954	202267203	/nfs/dbraw/zinc/26/72/03/202267203.db2.gz	ISDXLNKVEUQHJK-QAHSQZNUSA-N	-1	0	337.784	3.320	50	0		EGAARM
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Cc2ccncc2)cc1	ZINC000000256523	201454093	/nfs/dbraw/zinc/45/40/93/201454093.db2.gz	BWJTWLLUAUTZNI-ROUUACIJSA-N	-1	0	336.391	3.278	50	0		EGAARM
Cc1nnc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])s1	ZINC000000328660	201461052	/nfs/dbraw/zinc/46/10/52/201461052.db2.gz	QSEPASOELXATLC-UHFFFAOYSA-N	-1	0	339.376	3.464	50	0		EGAARM
O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccsc1	ZINC000225537473	241918725	/nfs/dbraw/zinc/91/87/25/241918725.db2.gz	JFKLLZMZIJTLNQ-OAHLLOKOSA-N	-1	0	328.393	3.291	50	0		EGAARM
O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1	ZINC000003104089	201557394	/nfs/dbraw/zinc/55/73/94/201557394.db2.gz	NOPXPKAQTBKIIK-UHFFFAOYSA-N	-1	0	345.298	3.204	50	0		EGAARM
CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000003208016	201559748	/nfs/dbraw/zinc/55/97/48/201559748.db2.gz	HHHJPNINPDQBJZ-UHFFFAOYSA-N	-1	0	333.409	3.380	50	0		EGAARM
O=S(=O)(C=C([O-])c1ccc(Cl)cc1)c1cccnc1Cl	ZINC000067172815	202908477	/nfs/dbraw/zinc/90/84/77/202908477.db2.gz	IMBWLEGDKYYWIJ-UHFFFAOYSA-N	-1	0	330.192	3.045	50	0		EGAARM
COc1ccc([C@@H]2CC(=O)Nc3c2c(=O)[nH]n3C2CCCC2)cc1O	ZINC000071279246	203088383	/nfs/dbraw/zinc/08/83/83/203088383.db2.gz	OFAQPEPKPGPNNC-LBPRGKRZSA-N	-1	0	343.383	3.129	50	0		EGAARM
O=C([O-])[C@@]1(Cc2cccc(Cl)c2)CCCN(c2cnccn2)C1	ZINC000071745447	203105700	/nfs/dbraw/zinc/10/57/00/203105700.db2.gz	OPQJDEZJVHKEKT-QGZVFWFLSA-N	-1	0	331.803	3.044	50	0		EGAARM
Cc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)cc1	ZINC000101168202	204002021	/nfs/dbraw/zinc/00/20/21/204002021.db2.gz	FPFGEXMUKZDSEH-ROUUACIJSA-N	-1	0	348.406	3.105	50	0		EGAARM
O=C([O-])c1cc2c(c([C@@H]3CC(=O)c4cc(F)ccc4O3)c1)OCOC2	ZINC000001280473	304228532	/nfs/dbraw/zinc/22/85/32/304228532.db2.gz	PXGDTCGBKZHKTC-INIZCTEOSA-N	-1	0	344.294	3.097	50	0		EGAARM
O=C([O-])c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2	ZINC000000054307	304229668	/nfs/dbraw/zinc/22/96/68/304229668.db2.gz	FOEPEPMBSAXCJM-GXSJLCMTSA-N	-1	0	329.253	3.381	50	0		EGAARM
O=C([O-])c1ccsc1NC(=O)c1ccc(Br)cc1	ZINC000022147665	304273791	/nfs/dbraw/zinc/27/37/91/304273791.db2.gz	NEPQUINUAIDARA-UHFFFAOYSA-N	-1	0	326.171	3.461	50	0		EGAARM
O=C([O-])c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F	ZINC000012505700	304279890	/nfs/dbraw/zinc/27/98/90/304279890.db2.gz	VPNYSBNYKRROAB-UHFFFAOYSA-N	-1	0	325.168	3.003	50	0		EGAARM
Cc1ccc(S(=O)(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc1	ZINC000004317870	292186928	/nfs/dbraw/zinc/18/69/28/292186928.db2.gz	YVRSQAGRUUKBLR-UHFFFAOYSA-N	-1	0	335.331	3.360	50	0		EGAARM
CC(C)C[C@H]1CCN(c2nccc(-c3cc(C(=O)[O-])ccn3)n2)C1	ZINC000072469255	279215598	/nfs/dbraw/zinc/21/55/98/279215598.db2.gz	INGOQHDMUFCHAH-CYBMUJFWSA-N	-1	0	326.400	3.109	50	0		EGAARM
CCc1nc2sc([C@H](c3ccc(F)cc3)N3CCCC3)c([O-])n2n1	ZINC000022852958	288637403	/nfs/dbraw/zinc/63/74/03/288637403.db2.gz	RDTXQPJDYUOKJS-AWEZNQCLSA-N	-1	0	346.431	3.383	50	0		EGAARM
Cc1ccc2c(N)c(C(=O)Nc3ccccc3C(=O)[O-])sc2n1	ZINC000067239997	301875092	/nfs/dbraw/zinc/87/50/92/301875092.db2.gz	XAIKBTSQKCEQQJ-UHFFFAOYSA-N	-1	0	327.365	3.137	50	0		EGAARM
O=C([O-])[C@H]1CS[C@@H](c2ccc(OCc3cccc(F)c3)cc2)N1	ZINC000000031826	452492227	/nfs/dbraw/zinc/49/22/27/452492227.db2.gz	HSDWOBKUUZLTNK-CVEARBPZSA-N	-1	0	333.384	3.193	50	0		EGAARM
CN(C)c1cccc2c1cccc2S(=O)(=O)[N-]c1ccccn1	ZINC000000226319	452541482	/nfs/dbraw/zinc/54/14/82/452541482.db2.gz	QTTGUFALNOXXDZ-UHFFFAOYSA-N	-1	0	327.409	3.102	50	0		EGAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1OC	ZINC000000367653	452572547	/nfs/dbraw/zinc/57/25/47/452572547.db2.gz	APQAZYHTLRCCQQ-UHFFFAOYSA-N	-1	0	327.789	3.158	50	0		EGAARM
O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)c2cccs2)c1	ZINC000000463740	452598184	/nfs/dbraw/zinc/59/81/84/452598184.db2.gz	CCIRTJJHUMKINA-UHFFFAOYSA-N	-1	0	340.813	3.227	50	0		EGAARM
Cc1ccc(C)c(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)c1	ZINC000001305980	452653868	/nfs/dbraw/zinc/65/38/68/452653868.db2.gz	ZRJQHVSTSDPVHL-UHFFFAOYSA-N	-1	0	334.375	3.132	50	0		EGAARM
CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1	ZINC000002389136	452696048	/nfs/dbraw/zinc/69/60/48/452696048.db2.gz	UTYRIGRZLZNTLR-NSHDSACASA-N	-1	0	344.205	3.490	50	0		EGAARM
CCOC(=O)c1c(C)[nH]cc1[C@H](CC(=O)c1ccc(C)cc1)C(=O)[O-]	ZINC000003066342	452742391	/nfs/dbraw/zinc/74/23/91/452742391.db2.gz	BQOUXOOZEGDMRY-AWEZNQCLSA-N	-1	0	343.379	3.249	50	0	biogenic	EGAARM
COc1ccc(OC)c(NC(=O)[N-]C(=N)C(Cl)(Cl)Cl)c1	ZINC000003086200	452742920	/nfs/dbraw/zinc/74/29/20/452742920.db2.gz	ARLSGUXXTFMISF-UHFFFAOYSA-N	-1	0	340.594	3.173	50	0		EGAARM
O=S(=O)([N-]C(=S)Nc1ccccc1)c1ccc(Cl)s1	ZINC000003163331	452746294	/nfs/dbraw/zinc/74/62/94/452746294.db2.gz	HSYSZVFCPVYATG-UHFFFAOYSA-N	-1	0	332.859	3.077	50	0		EGAARM
O=C([O-])CSc1nnc(-c2ccccc2F)n1-c1ccccc1	ZINC000003281607	452758887	/nfs/dbraw/zinc/75/88/87/452758887.db2.gz	BHIQFICHYPJIOF-UHFFFAOYSA-N	-1	0	329.356	3.250	50	0		EGAARM
O=c1c2c(nc3c(-c4cccc(Br)c4)c[n-]n31)CCCC2	ZINC000004282403	452800227	/nfs/dbraw/zinc/80/02/27/452800227.db2.gz	OAWPWRODUPICPE-UHFFFAOYSA-N	-1	0	344.212	3.331	50	0		EGAARM
CCc1cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)ccc1OC	ZINC000004411705	452801509	/nfs/dbraw/zinc/80/15/09/452801509.db2.gz	RAMUAMFRCMAPOK-UHFFFAOYSA-N	-1	0	326.805	3.107	50	0		EGAARM
Cc1ccc(C)c(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)c1	ZINC000005329510	452858552	/nfs/dbraw/zinc/85/85/52/452858552.db2.gz	SXMJWZCMOQVMNL-UHFFFAOYSA-N	-1	0	344.436	3.231	50	0		EGAARM
O=C([O-])[C@@H](CC(=O)NCc1ccccc1)Cc1ccc(Cl)cc1	ZINC000005773618	452901916	/nfs/dbraw/zinc/90/19/16/452901916.db2.gz	JZEZADGIPUEMSC-OAHLLOKOSA-N	-1	0	331.799	3.290	50	0		EGAARM
CCCC[C@H](Sc1nc(C)c(Cc2ccccc2)c(=O)[nH]1)C(=O)[O-]	ZINC000005868900	452907785	/nfs/dbraw/zinc/90/77/85/452907785.db2.gz	CQKPUBAOCCCNJW-HNNXBMFYSA-N	-1	0	346.452	3.405	50	0		EGAARM
CCOC(=O)c1ccc(-c2coc3cc([O-])c(CC)cc3c2=O)o1	ZINC000006080978	452919038	/nfs/dbraw/zinc/91/90/38/452919038.db2.gz	XHXVBQYZZURGOF-UHFFFAOYSA-N	-1	0	328.320	3.498	50	0	biogenic	EGAARM
CC[C@H](C)[C@@H](NC(=O)Nc1cccc(Br)c1)C(=O)[O-]	ZINC000006358492	452939196	/nfs/dbraw/zinc/93/91/96/452939196.db2.gz	WIMLANPAAGLPOG-GZMMTYOYSA-N	-1	0	329.194	3.070	50	0		EGAARM
Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)Nc1cccnc1	ZINC000006719074	452976466	/nfs/dbraw/zinc/97/64/66/452976466.db2.gz	BFDFTCRLNUNMJN-UHFFFAOYSA-N	-1	0	344.754	3.037	50	0		EGAARM
COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1	ZINC000007052519	453023543	/nfs/dbraw/zinc/02/35/43/453023543.db2.gz	MAVNRZGAXJVRKB-UHFFFAOYSA-N	-1	0	342.214	3.259	50	0		EGAARM
O=c1nc(NCc2ccccc2)[n-]nc1Cc1ccc(Cl)cc1	ZINC000008914876	453238242	/nfs/dbraw/zinc/23/82/42/453238242.db2.gz	AWAPBNAOCSSLTD-UHFFFAOYSA-N	-1	0	326.787	3.021	50	0		EGAARM
Cc1[n-]n2c(nc3c(c2=O)CCC3)c1-c1ccc(Br)cc1	ZINC000009184414	453245445	/nfs/dbraw/zinc/24/54/45/453245445.db2.gz	SVXQECRYBHVKIA-UHFFFAOYSA-N	-1	0	344.212	3.249	50	0		EGAARM
CCn1ccc(-c2cc(C(=O)[O-])n3nc(C)c(-c4ccccc4)c3n2)n1	ZINC000013645534	453478685	/nfs/dbraw/zinc/47/86/85/453478685.db2.gz	WHFDWWXENCBUIL-UHFFFAOYSA-N	-1	0	347.378	3.286	50	0		EGAARM
CCc1nc2sc([C@H](c3ccco3)N3CCC[C@H](C)C3)c([O-])n2n1	ZINC000036104782	453926032	/nfs/dbraw/zinc/92/60/32/453926032.db2.gz	AEORYQAXPUGBGE-FZMZJTMJSA-N	-1	0	346.456	3.473	50	0		EGAARM
O=C([O-])[C@H](NC(=O)Cn1ccc2ccc(Cl)cc21)c1ccccc1	ZINC000040266901	453949666	/nfs/dbraw/zinc/94/96/66/453949666.db2.gz	BELAHWNKXMGAQL-QGZVFWFLSA-N	-1	0	342.782	3.237	50	0		EGAARM
CCc1nnc(CN(C(C)C)[C@H](C(=O)[O-])c2ccc(F)c(C)c2)o1	ZINC000055413124	453982905	/nfs/dbraw/zinc/98/29/05/453982905.db2.gz	NVLUZNPUUTXMLR-INIZCTEOSA-N	-1	0	335.379	3.116	50	0		EGAARM
CC(C)c1noc(CN2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)n1	ZINC000095371304	454198351	/nfs/dbraw/zinc/19/83/51/454198351.db2.gz	HKUPCQPFYGRREV-OAHLLOKOSA-N	-1	0	329.400	3.271	50	0		EGAARM
O=C([O-])c1cccc(N2CCC(Oc3ccc(Cl)cc3)CC2)n1	ZINC000095524785	454227987	/nfs/dbraw/zinc/22/79/87/454227987.db2.gz	BOTOLFVQYBECNU-UHFFFAOYSA-N	-1	0	332.787	3.481	50	0		EGAARM
COc1cccc(OC[C@@H]2CCCN(c3cccc(C(=O)[O-])n3)C2)c1	ZINC000095521568	454228068	/nfs/dbraw/zinc/22/80/68/454228068.db2.gz	ADPSWGCDSWRJFD-CQSZACIVSA-N	-1	0	342.395	3.084	50	0		EGAARM
CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CCc2cc(Cl)ccc2C1	ZINC000095635361	454231762	/nfs/dbraw/zinc/23/17/62/454231762.db2.gz	LZJLTCQUVKSYKI-MRXNPFEDSA-N	-1	0	325.792	3.177	50	0		EGAARM
Cc1cc(C)c(/C=C/S(=O)(=O)[N-]c2ccccc2C(N)=O)c(C)c1	ZINC000096137174	454291483	/nfs/dbraw/zinc/29/14/83/454291483.db2.gz	NVXALKZXZQGDLU-CMDGGOBGSA-N	-1	0	344.436	3.123	50	0		EGAARM
CC1(C)CCc2cc(CC(=O)NCCCCCC(=O)[O-])ccc2O1	ZINC000096222827	454309418	/nfs/dbraw/zinc/30/94/18/454309418.db2.gz	IRVQVJIQIWCOCG-UHFFFAOYSA-N	-1	0	333.428	3.094	50	0	biogenic	EGAARM
Nc1cc(Br)c(Br)c([O-])c1Br	ZINC000096319124	454319483	/nfs/dbraw/zinc/31/94/83/454319483.db2.gz	RNVOFJYKEQCHPV-UHFFFAOYSA-N	-1	0	345.816	3.262	50	0		EGAARM
COCCOC1CCN(Cc2c(Cl)ccc([O-])c2Cl)CC1	ZINC000097532715	454440979	/nfs/dbraw/zinc/44/09/79/454440979.db2.gz	CPEVERJKOBEXKY-UHFFFAOYSA-N	-1	0	334.243	3.326	50	0		EGAARM
Cc1ccc(CC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1F	ZINC000091745946	454466642	/nfs/dbraw/zinc/46/66/42/454466642.db2.gz	JSDQDHSCHWBYFJ-DLBZAZTESA-N	-1	0	341.382	3.003	50	0		EGAARM
CCCC([O-])=C1C(=O)C[C@H](c2ccccc2)[C@H](c2cc(C)no2)C1=O	ZINC000102942732	454527969	/nfs/dbraw/zinc/52/79/69/454527969.db2.gz	GNWCSCDSDBRSKW-NIKGAXFTSA-N	-1	0	339.391	3.378	50	0		EGAARM
COc1cccc(NC(=O)CSc2nc(=O)c3sccc3[n-]2)c1	ZINC000051317195	454618726	/nfs/dbraw/zinc/61/87/26/454618726.db2.gz	CXRPQUQOLUBOHW-UHFFFAOYSA-N	-1	0	347.421	3.136	50	0		EGAARM
Cc1cc(Br)c(I)cc1C(=O)[O-]	ZINC000115670786	455025403	/nfs/dbraw/zinc/02/54/03/455025403.db2.gz	RVWSYPOXDJYFAQ-UHFFFAOYSA-N	-1	0	340.942	3.060	50	0		EGAARM
CCOc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1ccncc1	ZINC000231431557	456141867	/nfs/dbraw/zinc/14/18/67/456141867.db2.gz	STGQXSHWRJVFNB-UHFFFAOYSA-N	-1	0	326.805	3.243	50	0		EGAARM
O=C([O-])c1ccc(CNC(=O)[C@@]2(c3ccccc3)CC23CCCC3)o1	ZINC000426436405	457829670	/nfs/dbraw/zinc/82/96/70/457829670.db2.gz	CLLAPCVDDHJDNP-FQEVSTJZSA-N	-1	0	339.391	3.496	50	0		EGAARM
COc1ccc(Cl)cc1-c1ccc(C[C@@H](NC(C)=O)C(=O)[O-])cc1	ZINC000534590888	459335659	/nfs/dbraw/zinc/33/56/59/459335659.db2.gz	QNRCPGSYYBGDLU-MRXNPFEDSA-N	-1	0	347.798	3.147	50	0		EGAARM
CC[C@@]1(O)CCC[C@@H]2CN(c3cc(C(=O)[O-])c4ccccc4n3)C[C@@H]21	ZINC001704314424	1416439501	/nfs/dbraw/zinc/43/95/01/1416439501.db2.gz	QJTZWEPMGQQNAO-JOTOCRJQSA-N	-1	0	340.423	3.310	50	0		EGAARM
FC(F)(F)c1cccnc1[C@@H](c1nnn[n-]1)c1ccc(Cl)cc1	ZINC000263639925	1423699949	/nfs/dbraw/zinc/69/99/49/1423699949.db2.gz	OORKRVPTRVDVHO-NSHDSACASA-N	-1	0	339.708	3.447	50	0		EGAARM
Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1	ZINC000023125732	202099182	/nfs/dbraw/zinc/09/91/82/202099182.db2.gz	KKINEKKVDWWZJJ-CABCVRRESA-N	-1	0	340.770	3.146	50	0		EGAARM
Cc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCCCC2)o1	ZINC000023748826	202108246	/nfs/dbraw/zinc/10/82/46/202108246.db2.gz	BULIRNMRQIGNOK-CYBMUJFWSA-N	-1	0	332.429	3.282	50	0		EGAARM
O=C([O-])/C=C\C(=O)Nc1ccccc1C(=O)Nc1cccc(Cl)c1	ZINC000033312466	202257303	/nfs/dbraw/zinc/25/73/03/202257303.db2.gz	NPNKOLQLIQSMHZ-HJWRWDBZSA-N	-1	0	344.754	3.172	50	0		EGAARM
COc1cccc(CC2(C(=O)[O-])CCN(C(=O)OC(C)(C)C)CC2)c1	ZINC000035571469	201078034	/nfs/dbraw/zinc/07/80/34/201078034.db2.gz	AEAJXOUTOBWRIQ-UHFFFAOYSA-N	-1	0	349.427	3.340	50	0		EGAARM
COc1ccc(-c2nc(N)ncc2Oc2cccc(OC)c2)c(O)c1	ZINC000018090511	201368404	/nfs/dbraw/zinc/36/84/04/201368404.db2.gz	PYBOOANVVNTMPL-UHFFFAOYSA-N	-1	0	339.351	3.241	50	0		EGAARM
Cc1ccccc1C(=O)NC(=S)Nc1cccc(C(=O)[O-])c1C	ZINC000000312324	201459585	/nfs/dbraw/zinc/45/95/85/201459585.db2.gz	NPBBQPGVXKDSJM-UHFFFAOYSA-N	-1	0	328.393	3.128	50	0		EGAARM
CCOC(=O)c1sc(NCCCC(=O)[O-])nc1-c1ccccc1	ZINC000004219054	201594279	/nfs/dbraw/zinc/59/42/79/201594279.db2.gz	GIHUXQNDMORFTG-UHFFFAOYSA-N	-1	0	334.397	3.264	50	0		EGAARM
O=C([O-])c1ccccc1[C@@H]1CCN(C(=O)Cc2c[nH]c3ccccc23)C1	ZINC000072127197	203165721	/nfs/dbraw/zinc/16/57/21/203165721.db2.gz	IZXHSMMHSVKSBJ-CQSZACIVSA-N	-1	0	348.402	3.425	50	0		EGAARM
Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)C=Cc1ccccc1	ZINC000000308588	206231120	/nfs/dbraw/zinc/23/11/20/206231120.db2.gz	ZFSRJBJYIATVGM-CSKARUKUSA-N	-1	0	340.404	3.220	50	0		EGAARM
Nc1nc(NCc2ccccc2)nc(-c2cc(Cl)ccc2[O-])n1	ZINC000000347221	206233994	/nfs/dbraw/zinc/23/39/94/206233994.db2.gz	VVZYFNDGIIDBNT-UHFFFAOYSA-N	-1	0	327.775	3.092	50	0		EGAARM
O=C([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)c1ccccc1	ZINC000015443296	304223964	/nfs/dbraw/zinc/22/39/64/304223964.db2.gz	KMPMAPHEKVRMEP-UHFFFAOYSA-N	-1	0	330.283	3.236	50	0		EGAARM
O=C([O-])c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2	ZINC000000054305	304229758	/nfs/dbraw/zinc/22/97/58/304229758.db2.gz	FOEPEPMBSAXCJM-ONGXEEELSA-N	-1	0	329.253	3.381	50	0		EGAARM
O=C([O-])c1ccccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O	ZINC000000062418	304269694	/nfs/dbraw/zinc/26/96/94/304269694.db2.gz	ZARVINMEVJCESJ-UHFFFAOYSA-N	-1	0	336.130	3.492	50	0		EGAARM
Cc1ccccc1Cc1c(C(=O)[O-])c(=O)cc(C)n1Cc1ccccn1	ZINC000299779590	258088767	/nfs/dbraw/zinc/08/87/67/258088767.db2.gz	QYNWVVBWCZKDCV-UHFFFAOYSA-N	-1	0	348.402	3.197	50	0		EGAARM
O=C([O-])c1nnn(-c2ccccc2C(F)(F)F)c1-c1ccncc1	ZINC000067323676	304285310	/nfs/dbraw/zinc/28/53/10/304285310.db2.gz	BYJXYLNCSSRXBD-UHFFFAOYSA-N	-1	0	334.257	3.046	50	0		EGAARM
C[C@@H](c1ccc2c(c1)OCO2)n1c(=O)c2ccccc2[n-]c1=S	ZINC000007276942	287141298	/nfs/dbraw/zinc/14/12/98/287141298.db2.gz	NWFCXWKCROVXRC-JTQLQIEISA-N	-1	0	326.377	3.397	50	0		EGAARM
COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)[O-])c3N2)cc1	ZINC000000226843	295250257	/nfs/dbraw/zinc/25/02/57/295250257.db2.gz	NTXNGOHFEKXPCS-NEPJUHHUSA-N	-1	0	341.289	3.250	50	0		EGAARM
COc1ccc2[nH]c3c(c2c1)CCN(C(=O)OC(C)(C)C)[C@@H]3C(=O)[O-]	ZINC000002583133	295255659	/nfs/dbraw/zinc/25/56/59/295255659.db2.gz	FHHQCFVVCMNABC-HNNXBMFYSA-N	-1	0	346.383	3.095	50	0		EGAARM
Cc1cc(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccsc2)CC(=O)N3)no1	ZINC000061719798	301034875	/nfs/dbraw/zinc/03/48/75/301034875.db2.gz	ZFBOJPHUGYDIHP-SNVBAGLBSA-N	-1	0	343.364	3.008	50	0		EGAARM
Cc1ccc([C@@H]2SC[C@@H](C(=O)[O-])N2C(=O)c2ccc(F)cc2)cc1	ZINC000000107222	301774247	/nfs/dbraw/zinc/77/42/47/301774247.db2.gz	DZTIRHYRVGCXOL-RDJZCZTQSA-N	-1	0	345.395	3.475	50	0		EGAARM
CCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccs2)cc1OC	ZINC000000037020	452494203	/nfs/dbraw/zinc/49/42/03/452494203.db2.gz	PCBOOOIHCXCELU-LBPRGKRZSA-N	-1	0	349.408	3.101	50	0		EGAARM
Cc1cccc(C[C@@H]2CC(=O)N(c3ccc(C=CC(=O)[O-])cc3)C2=O)c1	ZINC000000170494	452527329	/nfs/dbraw/zinc/52/73/29/452527329.db2.gz	NESCSAZSPUPZOK-PYUISTEWSA-N	-1	0	349.386	3.215	50	0		EGAARM
O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Cc2ccncc2)cc1	ZINC000000256515	452547836	/nfs/dbraw/zinc/54/78/36/452547836.db2.gz	BWJTWLLUAUTZNI-ZWKOTPCHSA-N	-1	0	336.391	3.278	50	0		EGAARM
COc1cc(-n2c(C)nc3cc(C(=O)[O-])ccc32)cc(OC)c1OC	ZINC000000266878	452550151	/nfs/dbraw/zinc/55/01/51/452550151.db2.gz	RBZOCMDZFLQPML-UHFFFAOYSA-N	-1	0	342.351	3.058	50	0		EGAARM
Cc1cccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2C)c1	ZINC000000309150	452560541	/nfs/dbraw/zinc/56/05/41/452560541.db2.gz	FZZKRKTVEHEDLU-UHFFFAOYSA-N	-1	0	328.393	3.128	50	0		EGAARM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1	ZINC000000470103	452602877	/nfs/dbraw/zinc/60/28/77/452602877.db2.gz	CGUYJWPUWLHQNB-UHFFFAOYSA-N	-1	0	330.818	3.161	50	0		EGAARM
CCCOC(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1	ZINC000001808021	452678148	/nfs/dbraw/zinc/67/81/48/452678148.db2.gz	AVOULVHWIGAGGT-UHFFFAOYSA-N	-1	0	327.336	3.204	50	0		EGAARM
O=C([O-])[C@H](Cc1ccc(Cl)cc1)NC(=O)OCc1ccccc1	ZINC000002002735	452683671	/nfs/dbraw/zinc/68/36/71/452683671.db2.gz	LEWUPPXPENCAKM-HNNXBMFYSA-N	-1	0	333.771	3.262	50	0		EGAARM
O=C([O-])CCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1	ZINC000002495836	452701587	/nfs/dbraw/zinc/70/15/87/452701587.db2.gz	OKXRMAROVZEYJL-UHFFFAOYSA-N	-1	0	349.390	3.134	50	0		EGAARM
O=C([O-])c1ccccc1SCC(=O)c1ccc2c(c1)OCCO2	ZINC000003121330	452743731	/nfs/dbraw/zinc/74/37/31/452743731.db2.gz	ZNMNIAXRNAAKOA-UHFFFAOYSA-N	-1	0	330.361	3.131	50	0		EGAARM
CCCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccccc2)cc1	ZINC000003623516	452786753	/nfs/dbraw/zinc/78/67/53/452786753.db2.gz	NXZJQZBAQFGBEK-KRWDZBQOSA-N	-1	0	327.380	3.421	50	0		EGAARM
Cc1ccc(C(=O)N[C@@H](C(=O)[O-])C23CC4CC(CC(C4)C2)C3)cc1	ZINC000003897594	452788858	/nfs/dbraw/zinc/78/88/58/452788858.db2.gz	RDEVIOIJOIUWIF-SOZFHFLDSA-N	-1	0	327.424	3.394	50	0	biogenic	EGAARM
COc1ccc(-c2oncc2-c2ccc3c(c2)OCCO3)c(O)c1	ZINC000004025976	452790534	/nfs/dbraw/zinc/79/05/34/452790534.db2.gz	OSWLTZMTCWQHCK-UHFFFAOYSA-N	-1	0	325.320	3.494	50	0	biogenic	EGAARM
O=C(N/C(=C/c1ccc(Cl)cc1)[P@](=O)([O-])O)c1ccccc1	ZINC000004071156	452791328	/nfs/dbraw/zinc/79/13/28/452791328.db2.gz	ZKXYPSGTDLTRPW-UVTDQMKNSA-N	-1	0	337.699	3.246	50	0		EGAARM
O=C([O-])c1ccccc1SCC(=O)NCc1ccc(Cl)cc1	ZINC000004419391	452801887	/nfs/dbraw/zinc/80/18/87/452801887.db2.gz	UCBWPJDQXPJJKU-UHFFFAOYSA-N	-1	0	335.812	3.447	50	0		EGAARM
O=C([O-])/C(=C\c1ccccc1)NC(=O)c1ccccc1Br	ZINC000004837045	452822531	/nfs/dbraw/zinc/82/25/31/452822531.db2.gz	DRUSPOKDJRFQRY-GXDHUFHOSA-N	-1	0	346.180	3.305	50	0		EGAARM
Cc1cc(Cl)ccc1-n1c(=S)[n-]nc1CN1CCSCC1	ZINC000005394241	452866992	/nfs/dbraw/zinc/86/69/92/452866992.db2.gz	IISLWPQCVQLAIF-UHFFFAOYSA-N	-1	0	340.905	3.441	50	0		EGAARM
O=S(=O)([N-]c1ccn(Cc2ccccc2)n1)c1cc(F)ccc1F	ZINC000006502400	452948930	/nfs/dbraw/zinc/94/89/30/452948930.db2.gz	FXMQOGYELMASTB-UHFFFAOYSA-N	-1	0	349.362	3.010	50	0		EGAARM
CC(C)OC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000006706546	452973191	/nfs/dbraw/zinc/97/31/91/452973191.db2.gz	COHSKHGJNYOJQA-UHFFFAOYSA-N	-1	0	325.411	3.114	50	0		EGAARM
CC[C@@H](C)NC(=O)c1cccc(NC(=O)c2ccccc2C(=O)[O-])c1	ZINC000012138591	453347315	/nfs/dbraw/zinc/34/73/15/453347315.db2.gz	IALLGVWYLYXUCT-GFCCVEGCSA-N	-1	0	340.379	3.165	50	0		EGAARM
Cc1ccc(S(=O)(=O)NCCCCCC(=O)[O-])c2ccccc12	ZINC000012291217	453354502	/nfs/dbraw/zinc/35/45/02/453354502.db2.gz	SWBRWYDBGGREAR-UHFFFAOYSA-N	-1	0	335.425	3.072	50	0		EGAARM
Cc1nc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])cc2nc1C	ZINC000012372663	453355921	/nfs/dbraw/zinc/35/59/21/453355921.db2.gz	RJMREODRLBVJHL-KGLIPLIRSA-N	-1	0	327.384	3.076	50	0		EGAARM
CCCC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1	ZINC000014838876	453544697	/nfs/dbraw/zinc/54/46/97/453544697.db2.gz	DAIORVXXNFLUKZ-CABCVRRESA-N	-1	0	332.400	3.255	50	0		EGAARM
CCc1nc2sc([C@@H](c3ccco3)N3CCC(C)CC3)c([O-])n2n1	ZINC000022853395	453700452	/nfs/dbraw/zinc/70/04/52/453700452.db2.gz	BXOKALXTWMSRBB-CQSZACIVSA-N	-1	0	346.456	3.473	50	0		EGAARM
CC(C)c1nc(CN(C)C(=O)c2cccc(NCC(=O)[O-])c2)cs1	ZINC000055386941	453980187	/nfs/dbraw/zinc/98/01/87/453980187.db2.gz	UFUZGBQOESLJHC-UHFFFAOYSA-N	-1	0	347.440	3.035	50	0		EGAARM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1	ZINC000044253040	454093054	/nfs/dbraw/zinc/09/30/54/454093054.db2.gz	SSPJVCLERZPWBD-UHFFFAOYSA-N	-1	0	342.779	3.238	50	0		EGAARM
COc1ccc(Cn2nc(-c3ccc(F)cc3)cc2C(=O)[O-])cc1	ZINC000044672164	454113559	/nfs/dbraw/zinc/11/35/59/454113559.db2.gz	FAYVILGKCBXLBV-UHFFFAOYSA-N	-1	0	326.327	3.444	50	0		EGAARM
CC(C)(C)OC(=O)N1CCc2c(nc3cc(C(C)(C)C)[n-]n3c2=O)C1	ZINC000100003374	454463829	/nfs/dbraw/zinc/46/38/29/454463829.db2.gz	OCWSIZXOJDCFJB-UHFFFAOYSA-N	-1	0	346.431	3.026	50	0		EGAARM
Cc1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CCC4)cc1	ZINC000100298331	454464986	/nfs/dbraw/zinc/46/49/86/454464986.db2.gz	IBUGSGHGDMYCJY-UHFFFAOYSA-N	-1	0	334.375	3.214	50	0		EGAARM
Cc1ccsc1CN(C(=O)c1ccccc1NCC(=O)[O-])C1CC1	ZINC000065393765	454559301	/nfs/dbraw/zinc/55/93/01/454559301.db2.gz	ZIQJFCATCYPZRS-UHFFFAOYSA-N	-1	0	344.436	3.358	50	0		EGAARM
Cc1oc([C@@H](NC(=O)OCc2ccccc2)C(C)C)nc1C(=O)[O-]	ZINC000137423819	454779700	/nfs/dbraw/zinc/77/97/00/454779700.db2.gz	NEXGTNKMMOBTFW-ZDUSSCGKSA-N	-1	0	332.356	3.305	50	0		EGAARM
COc1ccc2cc([C@H](C)C(=O)NC3(C(=O)[O-])CCCC3)ccc2c1	ZINC000237294126	455169333	/nfs/dbraw/zinc/16/93/33/455169333.db2.gz	UXHYMYPKQLRJFK-ZDUSSCGKSA-N	-1	0	341.407	3.466	50	0		EGAARM
O=C([O-])c1cccc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1	ZINC000261684103	455927077	/nfs/dbraw/zinc/92/70/77/455927077.db2.gz	AEQBXKRKEBTWPE-KRWDZBQOSA-N	-1	0	341.363	3.195	50	0		EGAARM
Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)OC(C)(C)C)[C@@H]3C(=O)[O-]	ZINC000585122802	459826674	/nfs/dbraw/zinc/82/66/74/459826674.db2.gz	NBBRPWFRRBRPQG-HNNXBMFYSA-N	-1	0	330.384	3.395	50	0		EGAARM
CC(C)(C)OC(=O)N[C@](C)(C(=O)[O-])c1cccc(Br)c1	ZINC000069550068	599886615	/nfs/dbraw/zinc/88/66/15/599886615.db2.gz	PZJYPIJGLYNHNY-AWEZNQCLSA-N	-1	0	344.205	3.274	50	0		EGAARM
CCN(c1cc(Br)cc(C(=O)[O-])c1C)C1CCOCC1	ZINC000098185366	1292965206	/nfs/dbraw/zinc/96/52/06/1292965206.db2.gz	IPITXYVHPYUULP-UHFFFAOYSA-N	-1	0	342.233	3.461	50	0		EGAARM
O=C(Nc1ccc(Oc2nn[n-]n2)cc1)c1c(F)cccc1Cl	ZINC000828133813	1426809836	/nfs/dbraw/zinc/80/98/36/1426809836.db2.gz	WSSLKOSQXCSLNI-UHFFFAOYSA-N	-1	0	333.710	3.037	50	0		EGAARM
COc1ccc(/C=C(\C)c2nc(N)nc(-c3ccccc3[O-])n2)cc1	ZINC000040283671	213288117	/nfs/dbraw/zinc/28/81/17/213288117.db2.gz	LOHRDGLHCXLTAX-VAWYXSNFSA-N	-1	0	334.379	3.396	50	0		EGAARM
O=C([O-])c1ccc2ncc(Cc3ccc(Cl)c(Cl)c3)c(=O)n2c1	ZINC000020096668	202032002	/nfs/dbraw/zinc/03/20/02/202032002.db2.gz	ZWSXIHWMGFHQFF-UHFFFAOYSA-N	-1	0	349.173	3.290	50	0		EGAARM
COc1cc(Nc2cc(C(=O)[O-])nc3ccc(C)cc32)cc(OC)c1	ZINC000021657768	202068095	/nfs/dbraw/zinc/06/80/95/202068095.db2.gz	RWCBCKADFWJGGW-UHFFFAOYSA-N	-1	0	338.363	3.424	50	0		EGAARM
CCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1C	ZINC000032601587	202229126	/nfs/dbraw/zinc/22/91/26/202229126.db2.gz	JWFUBDIZXCVVGJ-UHFFFAOYSA-N	-1	0	349.408	3.283	50	0		EGAARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2O)c2ccccc12	ZINC000032601982	202229232	/nfs/dbraw/zinc/22/92/32/202229232.db2.gz	LDKGTODSULALDG-UHFFFAOYSA-N	-1	0	329.377	3.355	50	0		EGAARM
O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1F	ZINC000013323794	304099543	/nfs/dbraw/zinc/09/95/43/304099543.db2.gz	NMUZNZIRSVKYPZ-VHSXEESVSA-N	-1	0	331.265	3.450	50	0		EGAARM
O=C(CCn1ccc2ccc(F)cc21)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000238924249	201151498	/nfs/dbraw/zinc/15/14/98/201151498.db2.gz	RKAOJFBSWBMDQJ-CTYIDZIISA-N	-1	0	346.402	3.178	50	0		EGAARM
O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N[C@@H](CC(F)(F)F)c1ccccc1	ZINC000229300611	242153199	/nfs/dbraw/zinc/15/31/99/242153199.db2.gz	FODSKLMUGWDHFB-MJBXVCDLSA-N	-1	0	341.329	3.463	50	0		EGAARM
O=C([O-])C[C@H](NC(=O)COc1ccccc1)c1ccc(Cl)cc1	ZINC000003622881	201578424	/nfs/dbraw/zinc/57/84/24/201578424.db2.gz	QOVDFEZLLXKEIQ-HNNXBMFYSA-N	-1	0	333.771	3.051	50	0		EGAARM
O=C([O-])C1(Oc2ccccc2F)CCN(C(=O)C[C@@H]2C=CCC2)CC1	ZINC000072474007	203231061	/nfs/dbraw/zinc/23/10/61/203231061.db2.gz	HRUPRCSAPGRREH-CQSZACIVSA-N	-1	0	347.386	3.007	50	0		EGAARM
O=C([O-])CCNC(=O)c1cc(-c2cccs2)nc2ccccc21	ZINC000072401318	203214381	/nfs/dbraw/zinc/21/43/81/203214381.db2.gz	YDHGHZZDCBCTOT-UHFFFAOYSA-N	-1	0	326.377	3.168	50	0		EGAARM
O=C([O-])C1(Oc2cccc(F)c2)CCN(C(=O)C[C@H]2C=CCC2)CC1	ZINC000072411572	203217066	/nfs/dbraw/zinc/21/70/66/203217066.db2.gz	FBLMGSKIYZSVIY-AWEZNQCLSA-N	-1	0	347.386	3.007	50	0		EGAARM
COc1ccc(-n2c(SCC(=O)[O-])nnc2-c2ccccc2)cc1	ZINC000019800394	212069861	/nfs/dbraw/zinc/06/98/61/212069861.db2.gz	XDZODQKTJBWKOO-UHFFFAOYSA-N	-1	0	341.392	3.120	50	0		EGAARM
CCCn1cc(C(=O)N2CCC[C@](CC=C(C)C)(C(=O)[O-])C2)c(C)n1	ZINC000092077106	203665414	/nfs/dbraw/zinc/66/54/14/203665414.db2.gz	AFINDYGIMCPVHM-LJQANCHMSA-N	-1	0	347.459	3.265	50	0		EGAARM
Cc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)cc1	ZINC000101168199	204002276	/nfs/dbraw/zinc/00/22/76/204002276.db2.gz	FPFGEXMUKZDSEH-ZWKOTPCHSA-N	-1	0	348.406	3.105	50	0		EGAARM
Cn1c(-c2ccc(O)cc2O)cs/c1=N\c1ccc(C(=O)[O-])cc1	ZINC000101731585	204021812	/nfs/dbraw/zinc/02/18/12/204021812.db2.gz	QOZAMXNWWSILBB-ZCXUNETKSA-N	-1	0	342.376	3.095	50	0		EGAARM
CCc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1	ZINC000000092740	206210758	/nfs/dbraw/zinc/21/07/58/206210758.db2.gz	ODHCIBCTBAEFBH-GOSISDBHSA-N	-1	0	336.391	3.156	50	0		EGAARM
COc1cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c(OC)cc1Cl	ZINC000000282800	206223205	/nfs/dbraw/zinc/22/32/05/206223205.db2.gz	MNMSQUUMWMQITB-VHSXEESVSA-N	-1	0	341.791	3.187	50	0		EGAARM
COc1cc(NC(=O)/C=C/c2ccccc2)c(C(=O)[O-])cc1OC	ZINC000000313362	206233100	/nfs/dbraw/zinc/23/31/00/206233100.db2.gz	FGZGCVSPYBKHEQ-CMDGGOBGSA-N	-1	0	327.336	3.054	50	0		EGAARM
O=S1(=O)[N-]C(SCc2ccc(F)cc2)=Nc2ccc(F)cc21	ZINC000012361106	207122412	/nfs/dbraw/zinc/12/24/12/207122412.db2.gz	MLCKKELAVVIYEU-UHFFFAOYSA-N	-1	0	340.376	3.368	50	0		EGAARM
O=C([O-])c1n[nH]c2c1[C@@H](c1ccccc1-c1ccccc1)CC(=O)N2	ZINC000065433142	304282807	/nfs/dbraw/zinc/28/28/07/304282807.db2.gz	JAFDSVODYLEYOF-CQSZACIVSA-N	-1	0	333.347	3.249	50	0		EGAARM
O=C([O-])c1nsc2c1NC(=O)C[C@@H]2c1ccc(C(F)(F)F)cc1	ZINC000066091695	304285659	/nfs/dbraw/zinc/28/56/59/304285659.db2.gz	ZTYWPVXBXGFRCV-MRVPVSSYSA-N	-1	0	342.298	3.334	50	0		EGAARM
CCc1nc2c3ccccc3oc2c(N2CCCC[C@H]2C(=O)[O-])n1	ZINC000005164360	288631413	/nfs/dbraw/zinc/63/14/13/288631413.db2.gz	QXJKZALMEGKOLG-LBPRGKRZSA-N	-1	0	325.368	3.382	50	0		EGAARM
CCn1cc(N2Cc3ccccc3O[C@H]2CC(C)C)c(C(=O)[O-])n1	ZINC000012397227	288697870	/nfs/dbraw/zinc/69/78/70/288697870.db2.gz	PCFMEKMDBVYODO-INIZCTEOSA-N	-1	0	329.400	3.372	50	0		EGAARM
COc1ccc2nc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])sc2c1	ZINC000001002531	295280335	/nfs/dbraw/zinc/28/03/35/295280335.db2.gz	LTAPUMJJHUYFKI-WDEREUQCSA-N	-1	0	334.397	3.134	50	0		EGAARM
Cc1nc2sc([C@H](c3ccco3)N3CCC[C@@H](C)C3)c([O-])n2n1	ZINC000023158057	302685557	/nfs/dbraw/zinc/68/55/57/302685557.db2.gz	KWIQCYJOJHPILY-MFKMUULPSA-N	-1	0	332.429	3.219	50	0		EGAARM
O=C([O-])c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1	ZINC000000142794	452520034	/nfs/dbraw/zinc/52/00/34/452520034.db2.gz	KKLUFCAOPPZISL-UHFFFAOYSA-N	-1	0	327.361	3.339	50	0		EGAARM
CCOC(=O)c1nc2ccccc2c(Nc2ccc(C(=O)[O-])cc2)n1	ZINC000000145904	452520872	/nfs/dbraw/zinc/52/08/72/452520872.db2.gz	AAOZFHWRNAFFPV-UHFFFAOYSA-N	-1	0	337.335	3.248	50	0		EGAARM
O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Br)cc1	ZINC000000233230	452542653	/nfs/dbraw/zinc/54/26/53/452542653.db2.gz	DHUJMLNQJBLMFX-RYUDHWBXSA-N	-1	0	326.190	3.279	50	0		EGAARM
COc1cc(Cl)c(S(=O)(=O)[N-]c2ccccn2)cc1Cl	ZINC000000310610	452560593	/nfs/dbraw/zinc/56/05/93/452560593.db2.gz	BNWQKWZQIFACEO-UHFFFAOYSA-N	-1	0	333.196	3.198	50	0		EGAARM
CCCC(=O)Nc1ccccc1C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000000449654	452594975	/nfs/dbraw/zinc/59/49/75/452594975.db2.gz	KMCIEHUVNFOLSO-UHFFFAOYSA-N	-1	0	326.352	3.376	50	0		EGAARM
CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)cc1	ZINC000004195647	452798230	/nfs/dbraw/zinc/79/82/30/452798230.db2.gz	TZGODJPEBIBRRP-UHFFFAOYSA-N	-1	0	327.789	3.245	50	0		EGAARM
COc1cc(NC(=O)c2cc3ccccc3o2)c(C(=O)[O-])cc1OC	ZINC000004512107	452806558	/nfs/dbraw/zinc/80/65/58/452806558.db2.gz	UFXKYJXBHDEQGM-UHFFFAOYSA-N	-1	0	341.319	3.401	50	0		EGAARM
O=c1[n-]c(Nc2ccc(F)c(Cl)c2)nnc1Cc1ccc(F)cc1	ZINC000005154490	452839946	/nfs/dbraw/zinc/83/99/46/452839946.db2.gz	HBPPVLFVNQAFCS-UHFFFAOYSA-N	-1	0	348.740	3.431	50	0		EGAARM
O=C1CCCCN1c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000005329780	452861251	/nfs/dbraw/zinc/86/12/51/452861251.db2.gz	UCJGEHDZSOJOPP-UHFFFAOYSA-N	-1	0	336.438	3.066	50	0		EGAARM
COC(=O)N=c1[n-]nc(COc2ccc(Br)cc2)s1	ZINC000005562438	452884297	/nfs/dbraw/zinc/88/42/97/452884297.db2.gz	RBWJBBSVKVSSTJ-UHFFFAOYSA-N	-1	0	344.190	3.058	50	0		EGAARM
CCOc1ccc(/C=C/C(=O)Nc2cccc(C(=O)[O-])c2)cc1OC	ZINC000005654101	452891638	/nfs/dbraw/zinc/89/16/38/452891638.db2.gz	AFHDIYHCXCWTKG-CSKARUKUSA-N	-1	0	341.363	3.444	50	0		EGAARM
C[C@@H](C(=O)[O-])n1nc(C(F)(F)F)c(Br)c1C1CC1	ZINC000006249501	452928359	/nfs/dbraw/zinc/92/83/59/452928359.db2.gz	NJGIZAQGXBXLJL-BYPYZUCNSA-N	-1	0	327.100	3.187	50	0		EGAARM
CC[C@H](C)[C@H](NC(=O)Nc1cccc(Br)c1)C(=O)[O-]	ZINC000006358399	452938642	/nfs/dbraw/zinc/93/86/42/452938642.db2.gz	WIMLANPAAGLPOG-KWQFWETISA-N	-1	0	329.194	3.070	50	0		EGAARM
COc1ccc(Cc2n[n-]c(=S)n2-c2ccc3c(c2)OCO3)cc1	ZINC000008743312	453230835	/nfs/dbraw/zinc/23/08/35/453230835.db2.gz	WXMGIEHBWJKEMU-UHFFFAOYSA-N	-1	0	341.392	3.258	50	0		EGAARM
O=c1c2c([n-]n1-c1ccccc1)[nH]c(-c1ccc(Cl)cc1)cc2=O	ZINC000009168755	453247284	/nfs/dbraw/zinc/24/72/84/453247284.db2.gz	WVQRXHGJWCBFHD-UHFFFAOYSA-N	-1	0	337.766	3.328	50	0		EGAARM
Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c(C)cc1Cl	ZINC000011613975	453327448	/nfs/dbraw/zinc/32/74/48/453327448.db2.gz	FTRUHPWVNIQIJZ-UHFFFAOYSA-N	-1	0	339.800	3.456	50	0		EGAARM
O=C([O-])c1ccccc1N[C@@H]1SC(=O)N(c2ccc(F)cc2)C1=O	ZINC000012112986	453345346	/nfs/dbraw/zinc/34/53/46/453345346.db2.gz	GEHKKSXLHLHCTJ-CYBMUJFWSA-N	-1	0	346.339	3.162	50	0		EGAARM
C[C@@H]1CCc2c(sc3[n-]c(=S)n(Cc4cnn(C)c4)c(=O)c23)C1	ZINC000017072165	453629280	/nfs/dbraw/zinc/62/92/80/453629280.db2.gz	WQZZAZHKRIPLJD-SECBINFHSA-N	-1	0	346.481	3.027	50	0		EGAARM
Cc1nc2[n-]c(COc3ccccc3)nn2c(=O)c1Cc1ccccc1	ZINC000018219930	453648177	/nfs/dbraw/zinc/64/81/77/453648177.db2.gz	QQRPUYZTDFHEBY-UHFFFAOYSA-N	-1	0	346.390	3.308	50	0		EGAARM
CCc1cc2c(nc(CC)nc2N[C@H](CCSC)C(=O)[O-])s1	ZINC000041090313	453955383	/nfs/dbraw/zinc/95/53/83/453955383.db2.gz	AFIZBCXTVRBOCY-LLVKDONJSA-N	-1	0	339.486	3.434	50	0		EGAARM
O=S(=O)([N-]c1cccc(-c2cnc3n2CCC3)c1)c1cccs1	ZINC000085471580	454030589	/nfs/dbraw/zinc/03/05/89/454030589.db2.gz	GESIIEBKIIEYKP-UHFFFAOYSA-N	-1	0	345.449	3.359	50	0		EGAARM
COCc1ccc(C(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)o1	ZINC000095357617	454197447	/nfs/dbraw/zinc/19/74/47/454197447.db2.gz	KXLNPSTWHCXSBM-HNNXBMFYSA-N	-1	0	343.379	3.144	50	0		EGAARM
O=C([O-])c1ccc([C@@H]2CCCN(C(=O)CSCC3CC3)C2)cc1	ZINC000095387405	454199898	/nfs/dbraw/zinc/19/98/98/454199898.db2.gz	HEUNYUYWFUYWKP-MRXNPFEDSA-N	-1	0	333.453	3.234	50	0		EGAARM
CCCn1cnnc1CN(C)Cc1c(Cl)ccc([O-])c1Cl	ZINC000097528895	454439255	/nfs/dbraw/zinc/43/92/55/454439255.db2.gz	RDZRSJIAUPPKIH-UHFFFAOYSA-N	-1	0	329.231	3.333	50	0		EGAARM
O=C(Nc1ccccc1F)c1c([O-])c2cccc3c2n(c1=O)CCC3	ZINC000100613737	454466733	/nfs/dbraw/zinc/46/67/33/454466733.db2.gz	DVXQHTOLSWJWQV-UHFFFAOYSA-N	-1	0	338.338	3.045	50	0		EGAARM
CC(C)Oc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])nsc32)cc1	ZINC000065362451	454554044	/nfs/dbraw/zinc/55/40/44/454554044.db2.gz	GWMMIQDREJHWNA-LLVKDONJSA-N	-1	0	332.381	3.103	50	0		EGAARM
COc1ccc(C2(C(=O)NCc3ccc(C(=O)[O-])o3)CCCC2)cc1	ZINC000221334653	456042104	/nfs/dbraw/zinc/04/21/04/456042104.db2.gz	UHFKFUWNAVZKMA-UHFFFAOYSA-N	-1	0	343.379	3.115	50	0		EGAARM
CC(C)N(C(=O)c1ccccc1-c1cnn([C@@H](C)C(=O)[O-])c1)C(C)C	ZINC000534640175	459340323	/nfs/dbraw/zinc/34/03/23/459340323.db2.gz	QFFBONRYLNNYRE-AWEZNQCLSA-N	-1	0	343.427	3.455	50	0		EGAARM
COc1ccc(-c2oc3cc(C)[nH]c(=O)c3c2CC(=O)[O-])cc1OC	ZINC000604405947	460422034	/nfs/dbraw/zinc/42/20/34/460422034.db2.gz	XKPOOGRJEXFSCC-UHFFFAOYSA-N	-1	0	343.335	3.153	50	0	biogenic	EGAARM
Cc1noc(C)c1[C@H](C)CC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000669434407	461675723	/nfs/dbraw/zinc/67/57/23/461675723.db2.gz	REUAWLKWYVSOFE-IAQYHMDHSA-N	-1	0	342.395	3.390	50	0		EGAARM
CCCc1nc(N[C@@H](C)c2ccc(OC)c(OC)c2)ncc1C(=O)[O-]	ZINC000169751202	564099980	/nfs/dbraw/zinc/09/99/80/564099980.db2.gz	WCCXMNKVAYIQFL-NSHDSACASA-N	-1	0	345.399	3.318	50	0		EGAARM
O=C([O-])[C@@H](CCF)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000230130159	1296161001	/nfs/dbraw/zinc/16/10/01/1296161001.db2.gz	AUWZDDFQQXJWBJ-QGZVFWFLSA-N	-1	0	343.354	3.338	50	0		EGAARM
COc1ccc(-c2onc(NCCC[C@H]3CCOC3)c2C(=O)[O-])cc1	ZINC001704325281	1416444681	/nfs/dbraw/zinc/44/46/81/1416444681.db2.gz	LIAKUNDDFRNMEC-LBPRGKRZSA-N	-1	0	346.383	3.277	50	0		EGAARM
Cc1cccc(C[C@H](C(=O)Nc2cc(C)ccc2C)c2nnn[n-]2)c1	ZINC000000418796	1424260727	/nfs/dbraw/zinc/26/07/27/1424260727.db2.gz	WWFUSZBHMXCHDI-INIZCTEOSA-N	-1	0	335.411	3.090	50	0		EGAARM
CC(C)Oc1cccc(C(=O)Nc2ccc(Oc3nn[n-]n3)cc2)c1	ZINC000952974329	1427707622	/nfs/dbraw/zinc/70/76/22/1427707622.db2.gz	AOHSJKBMEWALJH-UHFFFAOYSA-N	-1	0	339.355	3.032	50	0		EGAARM
CCC[C@]1(C(=O)[O-])CN(c2cc(C)c3cc(C)ccc3n2)CC[C@@H]1O	ZINC001772707532	1441417121	/nfs/dbraw/zinc/41/71/21/1441417121.db2.gz	URSNNEOXHQSTAR-PXNSSMCTSA-N	-1	0	342.439	3.294	50	0		EGAARM
O=C([O-])C1(Oc2ccccc2)CCN(C(=O)[C@@H]2CC23CCCC3)CC1	ZINC000072447932	304034719	/nfs/dbraw/zinc/03/47/19/304034719.db2.gz	GYWBKEOHRPEYIB-INIZCTEOSA-N	-1	0	343.423	3.092	50	0		EGAARM
O=C([O-])[C@@H]1CCCN(C(=O)CCn2ccc3ccc(Cl)cc32)C1	ZINC000040267666	213285702	/nfs/dbraw/zinc/28/57/02/213285702.db2.gz	CYWLUQLDMBNFDG-CYBMUJFWSA-N	-1	0	334.803	3.008	50	0		EGAARM
Cc1nc(-c2ccccc2F)sc1C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000020722262	202054011	/nfs/dbraw/zinc/05/40/11/202054011.db2.gz	NBWVYMUWQMYZCW-LBPRGKRZSA-N	-1	0	336.388	3.097	50	0		EGAARM
CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1cccc(Br)c1	ZINC000026423369	202143921	/nfs/dbraw/zinc/14/39/21/202143921.db2.gz	ZHAAYALRXSZQLX-SNVBAGLBSA-N	-1	0	330.178	3.100	50	0		EGAARM
O=C([O-])CN1C(=O)c2cccc3c2c1c(Br)cc3Cl	ZINC000000119423	304067144	/nfs/dbraw/zinc/06/71/44/304067144.db2.gz	BEJGVUUYUCALFL-UHFFFAOYSA-N	-1	0	340.560	3.301	50	0		EGAARM
CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c1	ZINC000035592611	202307022	/nfs/dbraw/zinc/30/70/22/202307022.db2.gz	SFHMAGLZJKFCKR-UHFFFAOYSA-N	-1	0	341.816	3.417	50	0		EGAARM
Cc1c(NC(=O)C2CC2)cccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000036567635	202326060	/nfs/dbraw/zinc/32/60/60/202326060.db2.gz	GUKQZJKMDIRQPF-KGLIPLIRSA-N	-1	0	344.411	3.173	50	0		EGAARM
Cc1ccccc1NC(=O)CSc1nc2cc(C(=O)[O-])ccc2[nH]1	ZINC000076565735	202388529	/nfs/dbraw/zinc/38/85/29/202388529.db2.gz	DZFCDZJJFDHTMO-UHFFFAOYSA-N	-1	0	341.392	3.300	50	0		EGAARM
C[C@H](CCc1ccccc1)NC(=O)[C@H]1C2CCC(CC2)[C@H]1C(=O)[O-]	ZINC000245256358	201153030	/nfs/dbraw/zinc/15/30/30/201153030.db2.gz	PQDZNBIUIOMHAV-GIVMSGLBSA-N	-1	0	329.440	3.261	50	0		EGAARM
CC(C)OC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1	ZINC000006699444	201363485	/nfs/dbraw/zinc/36/34/85/201363485.db2.gz	YSSRKZUOAPFAFO-HUUCEWRRSA-N	-1	0	333.384	3.081	50	0		EGAARM
O=C([O-])CCn1nc(C(F)(F)F)c(Br)c1C1CC1	ZINC000002549604	201534864	/nfs/dbraw/zinc/53/48/64/201534864.db2.gz	RKTGRNWEAJNKCG-UHFFFAOYSA-N	-1	0	327.100	3.017	50	0		EGAARM
O=C([O-])c1nnn(-c2ccc(OC(F)F)cc2)c1-c1ccccc1	ZINC000068675306	202968357	/nfs/dbraw/zinc/96/83/57/202968357.db2.gz	LTZHSTOWSNRPTR-UHFFFAOYSA-N	-1	0	331.278	3.234	50	0		EGAARM
Cc1cc(S(=O)(=O)[N-]c2nccs2)c(C)cc1Br	ZINC000072414555	203218290	/nfs/dbraw/zinc/21/82/90/203218290.db2.gz	FGGRQNPVXIPHBO-UHFFFAOYSA-N	-1	0	347.259	3.323	50	0		EGAARM
COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)CCc2ccccc2C)C1	ZINC000091587471	203640082	/nfs/dbraw/zinc/64/00/82/203640082.db2.gz	HNSWUUCPSBLHDI-FQEVSTJZSA-N	-1	0	347.455	3.048	50	0		EGAARM
O=C([O-])c1ccccc1NS(=O)(=O)c1cccc2ccccc21	ZINC000000575916	206244822	/nfs/dbraw/zinc/24/48/22/206244822.db2.gz	ICIVQQOSHWPWCK-UHFFFAOYSA-N	-1	0	327.361	3.339	50	0		EGAARM
COc1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)[O-])cc1OC	ZINC000000859718	206254596	/nfs/dbraw/zinc/25/45/96/206254596.db2.gz	AVUCJTVEIPEUFA-UHFFFAOYSA-N	-1	0	335.743	3.308	50	0		EGAARM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl	ZINC000004016960	304210859	/nfs/dbraw/zinc/21/08/59/304210859.db2.gz	WDEVWEPSEHQFBI-HTEOGMQZSA-N	-1	0	326.179	3.455	50	0		EGAARM
CCN(CC)c1ccc(Nc2nnc(-c3ccccc3)c(=O)[n-]2)cc1	ZINC000011905817	207018871	/nfs/dbraw/zinc/01/88/71/207018871.db2.gz	QXYXUXWKBAGJLA-UHFFFAOYSA-N	-1	0	335.411	3.422	50	0		EGAARM
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)on1	ZINC000012381633	207131672	/nfs/dbraw/zinc/13/16/72/207131672.db2.gz	SYJBYCIWLWWPPK-UHFFFAOYSA-N	-1	0	344.820	3.435	50	0		EGAARM
O=C([O-])c1ccc(N2C(=S)N=NC2c2cccc(F)c2F)cc1	ZINC000012324704	304231013	/nfs/dbraw/zinc/23/10/13/304231013.db2.gz	GZZYEBUKCCBROP-UHFFFAOYSA-N	-1	0	333.319	3.199	50	0		EGAARM
O=C([O-])c1cccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@H]3C2=O)c1	ZINC000017988461	304260901	/nfs/dbraw/zinc/26/09/01/304260901.db2.gz	MSVQNQCNCYKKHH-BMGDILEWSA-N	-1	0	349.386	3.458	50	0		EGAARM
O=C([O-])c1cn(-c2ccc(F)cc2)c2c1NC(=O)C[C@@H]2C(F)(F)F	ZINC000066087778	304274130	/nfs/dbraw/zinc/27/41/30/304274130.db2.gz	FJAIWHCJQZQVTQ-JTQLQIEISA-N	-1	0	342.248	3.303	50	0		EGAARM
Cc1ccc(C(=O)Nc2cnn(-c3ccc(C(=O)[O-])cc3)c2)c(C)c1	ZINC000299768888	258082732	/nfs/dbraw/zinc/08/27/32/258082732.db2.gz	QUDROOKWWQAHCG-UHFFFAOYSA-N	-1	0	335.363	3.440	50	0		EGAARM
CC(C)(C)[C@@H]1CCc2c(sc3ncn(CCC(=O)[O-])c(=O)c32)C1	ZINC000011768217	278508724	/nfs/dbraw/zinc/50/87/24/278508724.db2.gz	BPEOUPZOWSDSIS-SNVBAGLBSA-N	-1	0	334.441	3.084	50	0		EGAARM
CCc1nc2sc([C@H](c3ccco3)N3CCC[C@@H](C)C3)c([O-])n2n1	ZINC000016690064	288637892	/nfs/dbraw/zinc/63/78/92/288637892.db2.gz	AEORYQAXPUGBGE-RISCZKNCSA-N	-1	0	346.456	3.473	50	0		EGAARM
Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)[O-])c1C	ZINC000002887103	301180825	/nfs/dbraw/zinc/18/08/25/301180825.db2.gz	KRGBTFGKWMNEBQ-UHFFFAOYSA-N	-1	0	333.409	3.419	50	0		EGAARM
Cc1nn(CC(=O)[O-])c2nc(-c3ccco3)cc(C(F)(F)F)c12	ZINC000012395238	302803610	/nfs/dbraw/zinc/80/36/10/302803610.db2.gz	OKNBQYUVEVJJGV-UHFFFAOYSA-N	-1	0	325.246	3.103	50	0		EGAARM
CC(=O)Nc1ccccc1CCNC(=O)c1ccc2ccccc2c1O	ZINC000000058128	452496589	/nfs/dbraw/zinc/49/65/89/452496589.db2.gz	HNLJTZUJURZMTN-UHFFFAOYSA-N	-1	0	348.402	3.476	50	0		EGAARM
O=C([O-])[C@H](Cc1ccccc1)Nc1ncnc2sc3c(c21)CCC3	ZINC000000090327	452503499	/nfs/dbraw/zinc/50/34/99/452503499.db2.gz	QSNGLNKGJCOLDP-ZDUSSCGKSA-N	-1	0	339.420	3.288	50	0		EGAARM
COC(=O)c1sc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl	ZINC000000118182	452511782	/nfs/dbraw/zinc/51/17/82/452511782.db2.gz	FOOSOSNYXPOSGA-UHFFFAOYSA-N	-1	0	349.792	3.128	50	0		EGAARM
Nc1c(-c2n[nH]c(=S)n2Cc2ccccc2)cnn1-c1ccccc1	ZINC000000159857	452525133	/nfs/dbraw/zinc/52/51/33/452525133.db2.gz	IHNCQVLVNIVHJU-UHFFFAOYSA-N	-1	0	348.435	3.424	50	0		EGAARM
COc1ccc2nc([N-]S(=O)(=O)c3ccc(C)cc3)sc2c1	ZINC000000182454	452529547	/nfs/dbraw/zinc/52/95/47/452529547.db2.gz	AWPRLACBCRHZCW-UHFFFAOYSA-N	-1	0	334.422	3.414	50	0		EGAARM
CCN(c1ccccc1C(=O)[O-])S(=O)(=O)/C=C/c1ccccc1	ZINC000000190173	452530760	/nfs/dbraw/zinc/53/07/60/452530760.db2.gz	DUDOCEFQKZYUBT-OUKQBFOZSA-N	-1	0	331.393	3.212	50	0		EGAARM
O=C([O-])CSc1nc2ccccc2n1CCOc1ccccc1	ZINC000000310960	452560242	/nfs/dbraw/zinc/56/02/42/452560242.db2.gz	QYALXCFTRUHOKT-UHFFFAOYSA-N	-1	0	328.393	3.292	50	0		EGAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=S)Nc1ccccc1	ZINC000000504288	452607689	/nfs/dbraw/zinc/60/76/89/452607689.db2.gz	YBAKORVMEGFXQE-MRXNPFEDSA-N	-1	0	339.420	3.150	50	0		EGAARM
CC(=O)Oc1ccc2c(c1)oc(C(=O)[O-])c(-c1ccc(F)cc1)c2=O	ZINC000000517829	452612475	/nfs/dbraw/zinc/61/24/75/452612475.db2.gz	JXCJQLPSLWFBFQ-UHFFFAOYSA-N	-1	0	342.278	3.223	50	0	biogenic	EGAARM
O=S(=O)([N-]c1ccccc1F)c1ccc(Br)s1	ZINC000002464721	452700548	/nfs/dbraw/zinc/70/05/48/452700548.db2.gz	IUDXFBWVUHPEIQ-UHFFFAOYSA-N	-1	0	336.207	3.451	50	0		EGAARM
O=S(=O)([N-]c1ccc(F)cc1)c1c(F)c(F)c(F)c(F)c1F	ZINC000002849652	452730430	/nfs/dbraw/zinc/73/04/30/452730430.db2.gz	HCMSAEFFLPZIPD-UHFFFAOYSA-N	-1	0	341.232	3.322	50	0		EGAARM
CC1(C)CCCC2=C1C[C@@H](C(=O)[O-])[C@H](C(=O)NCc1cccnc1)C2	ZINC000003256157	452754943	/nfs/dbraw/zinc/75/49/43/452754943.db2.gz	NETGOTNPMXBIPT-HZPDHXFCSA-N	-1	0	342.439	3.315	50	0		EGAARM
O=C([O-])C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCO2	ZINC000003856201	452786135	/nfs/dbraw/zinc/78/61/35/452786135.db2.gz	WVRICKARICCKCN-ZDUSSCGKSA-N	-1	0	347.754	3.015	50	0		EGAARM
COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)[O-])c3N2)c1	ZINC000004196208	452796733	/nfs/dbraw/zinc/79/67/33/452796733.db2.gz	LSTMQXHIFRUHAC-RYUDHWBXSA-N	-1	0	341.289	3.250	50	0	aggregator	EGAARM
Cn1c(Cc2ccccc2)nnc1SCc1ccc(C(=O)[O-])cc1	ZINC000004419074	452802661	/nfs/dbraw/zinc/80/26/61/452802661.db2.gz	KVXGAOXQYIBICW-UHFFFAOYSA-N	-1	0	339.420	3.396	50	0		EGAARM
COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)cc1C	ZINC000004776450	452815893	/nfs/dbraw/zinc/81/58/93/452815893.db2.gz	NKZABVHODFXVNL-UHFFFAOYSA-N	-1	0	341.816	3.466	50	0		EGAARM
O=C([O-])COCC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1	ZINC000004770424	452815925	/nfs/dbraw/zinc/81/59/25/452815925.db2.gz	MAIKOKPHVIAIFD-UHFFFAOYSA-N	-1	0	342.376	3.003	50	0		EGAARM
CC(C)C[C@@H](C(=O)[O-])N1C(=O)c2ccc3c4c(ccc(c42)C1=O)CC3	ZINC000005294170	452855617	/nfs/dbraw/zinc/85/56/17/452855617.db2.gz	HYDHPVCDGADEKK-HNNXBMFYSA-N	-1	0	337.375	3.034	50	0		EGAARM
Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1Cc1ccccc1Cl	ZINC000005307222	452857247	/nfs/dbraw/zinc/85/72/47/452857247.db2.gz	FIFOGTTXFBHJLJ-UHFFFAOYSA-N	-1	0	328.803	3.125	50	0		EGAARM
CC(C)(C)c1ccc(OCC(=O)Nc2ccc(O)cc2C(=O)[O-])cc1	ZINC000005563089	452884611	/nfs/dbraw/zinc/88/46/11/452884611.db2.gz	AHXSRWJYCKNAGJ-UHFFFAOYSA-N	-1	0	343.379	3.405	50	0		EGAARM
COc1cc(OC)c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1Cl	ZINC000006731856	452980642	/nfs/dbraw/zinc/98/06/42/452980642.db2.gz	CNZSIQRCTSPQIN-VHSXEESVSA-N	-1	0	341.791	3.187	50	0		EGAARM
CC[C@H](C)n1c(=O)c([C@@H]2OC(=O)c3ccccc32)c([O-])[nH]c1=S	ZINC000008972256	453237212	/nfs/dbraw/zinc/23/72/12/453237212.db2.gz	MVQJPLCDDBTBNU-QPUJVOFHSA-N	-1	0	332.381	3.255	50	0		EGAARM
CC(C)[C@H](NC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(=O)[O-]	ZINC000009483867	453254451	/nfs/dbraw/zinc/25/44/51/453254451.db2.gz	LOBRMCNFXPJESW-INIZCTEOSA-N	-1	0	338.363	3.334	50	0		EGAARM
Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)s2)n[nH]1	ZINC000009686437	453259518	/nfs/dbraw/zinc/25/95/18/453259518.db2.gz	OAHUKEHNEQLIBF-UHFFFAOYSA-N	-1	0	337.401	3.387	50	0		EGAARM
O=C([O-])CCC(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1	ZINC000012138844	453347787	/nfs/dbraw/zinc/34/77/87/453347787.db2.gz	OEKOVQJLYNSHHP-UHFFFAOYSA-N	-1	0	340.379	3.061	50	0		EGAARM
O=C([O-])c1cccc(Cn2c(Cc3cccs3)n[nH]c2=S)c1	ZINC000013689098	453481950	/nfs/dbraw/zinc/48/19/50/453481950.db2.gz	KOUFEQIZKNQCJL-UHFFFAOYSA-N	-1	0	331.422	3.339	50	0		EGAARM
Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)[N-]c1ccc(F)cc1	ZINC000014254360	453526275	/nfs/dbraw/zinc/52/62/75/453526275.db2.gz	BVXUYTLUPJZDIY-UHFFFAOYSA-N	-1	0	345.399	3.429	50	0		EGAARM
O=c1nc(Nc2cccc(F)c2)[n-]nc1Cc1ccccc1Cl	ZINC000016777349	453621841	/nfs/dbraw/zinc/62/18/41/453621841.db2.gz	BQUJXUGEZWSFJO-UHFFFAOYSA-N	-1	0	330.750	3.292	50	0		EGAARM
Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1Cc1cccc(Cl)c1	ZINC000018155241	453644909	/nfs/dbraw/zinc/64/49/09/453644909.db2.gz	XVEOYSIDSMOYHX-HNNXBMFYSA-N	-1	0	328.803	3.328	50	0		EGAARM
COc1ccc(OC(=O)CSCc2ccccc2)c(C(=O)[O-])c1	ZINC000018193339	453646922	/nfs/dbraw/zinc/64/69/22/453646922.db2.gz	ATBOHDYKJKMXCF-UHFFFAOYSA-N	-1	0	332.377	3.232	50	0		EGAARM
Cc1nc2sc([C@H](c3ccco3)N3CCC(C)CC3)c([O-])n2n1	ZINC000023158061	453705887	/nfs/dbraw/zinc/70/58/87/453705887.db2.gz	QUTAQYDECKJJID-ZDUSSCGKSA-N	-1	0	332.429	3.219	50	0		EGAARM
O=S(=O)([N-]c1cnc(Oc2ccccc2F)nc1)c1ccccc1	ZINC000085557406	454033002	/nfs/dbraw/zinc/03/30/02/454033002.db2.gz	BZWHJTREWQRACY-UHFFFAOYSA-N	-1	0	345.355	3.209	50	0		EGAARM
O=C([O-])c1ccc([C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1	ZINC000095391721	454201795	/nfs/dbraw/zinc/20/17/95/454201795.db2.gz	SQZDROYWJJPBIG-CYBMUJFWSA-N	-1	0	329.318	3.433	50	0		EGAARM
O=C([O-])c1ccc(N2CCC[C@H](COc3ccc(F)cc3)C2)nc1	ZINC000095511325	454224980	/nfs/dbraw/zinc/22/49/80/454224980.db2.gz	KHRZDFITBJOIDI-ZDUSSCGKSA-N	-1	0	330.359	3.214	50	0		EGAARM
Cc1cc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)cc(C)c1C	ZINC000072233791	454276363	/nfs/dbraw/zinc/27/63/63/454276363.db2.gz	CSVNWXCONNVQCR-HOTGVXAUSA-N	-1	0	349.427	3.453	50	0		EGAARM
CCCCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C)ccn1	ZINC000096305740	454318252	/nfs/dbraw/zinc/31/82/52/454318252.db2.gz	FTDYQOMNHQTNPR-UHFFFAOYSA-N	-1	0	334.441	3.100	50	0		EGAARM
CC(C)n1[nH]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(C(=O)[O-])cc1	ZINC000079491371	454424029	/nfs/dbraw/zinc/42/40/29/454424029.db2.gz	SDZMEDNYASNLEQ-CYBMUJFWSA-N	-1	0	347.396	3.292	50	0		EGAARM
O=C([O-])CCCc1nc(-c2ccncc2)nn1C1Cc2ccccc2C1	ZINC000097527200	454439096	/nfs/dbraw/zinc/43/90/96/454439096.db2.gz	SMMWFMRLABGBGK-UHFFFAOYSA-N	-1	0	348.406	3.087	50	0		EGAARM
O=c1c2cc(Br)ccc2[n-]c(=S)n1Cc1ccco1	ZINC000100435391	454465644	/nfs/dbraw/zinc/46/56/44/454465644.db2.gz	JMNKEBFMTOBSBE-UHFFFAOYSA-N	-1	0	337.198	3.089	50	0		EGAARM
O=C(NCc1ccccc1Cl)c1csc([N-]c2ncccn2)n1	ZINC000049032165	454528941	/nfs/dbraw/zinc/52/89/41/454528941.db2.gz	SGZKDTHJCOBCPT-UHFFFAOYSA-N	-1	0	345.815	3.260	50	0		EGAARM
Cc1ccc(NC(=O)CSc2nc(=O)c3sccc3[n-]2)cc1F	ZINC000051317234	454618783	/nfs/dbraw/zinc/61/87/83/454618783.db2.gz	OWGOSOMRMYUWRQ-UHFFFAOYSA-N	-1	0	349.412	3.163	50	0		EGAARM
CC[C@H](C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C)C(=O)[O-]	ZINC000253487660	455850783	/nfs/dbraw/zinc/85/07/83/455850783.db2.gz	NPVHAHSXDFHQIN-TUKIKUTGSA-N	-1	0	347.415	3.328	50	0		EGAARM
Cc1nc2c3ccc(Br)cc3nn2c(C)c1CCC(=O)[O-]	ZINC000390834861	457446351	/nfs/dbraw/zinc/44/63/51/457446351.db2.gz	JFSPLRARYZWUFH-UHFFFAOYSA-N	-1	0	348.200	3.279	50	0		EGAARM
CC(C)[C@H](CO)NC(=O)c1ccc(-c2ccc(O)c(Cl)c2)cc1	ZINC000426358857	457810437	/nfs/dbraw/zinc/81/04/37/457810437.db2.gz	CBSDNTJODBAEDX-INIZCTEOSA-N	-1	0	333.815	3.459	50	0		EGAARM
Cn1c(-c2ccc(S(=O)(=O)CCC(=O)[O-])cc2)cc2ccccc21	ZINC000534636343	459340365	/nfs/dbraw/zinc/34/03/65/459340365.db2.gz	LPVIFKACDLJHHY-UHFFFAOYSA-N	-1	0	343.404	3.094	50	0		EGAARM
COCC1(CNc2noc(-c3ccc(OC)cc3)c2C(=O)[O-])CCC1	ZINC001704353005	1416453261	/nfs/dbraw/zinc/45/32/61/1416453261.db2.gz	IHBZAMVDOUUMCL-UHFFFAOYSA-N	-1	0	346.383	3.277	50	0		EGAARM
CC(=Cc1ccco1)c1c(-c2ccccc2)ncn1CCc1nnn[n-]1	ZINC000065376552	1423483820	/nfs/dbraw/zinc/48/38/20/1423483820.db2.gz	PQLISNJPLBGUMT-WYMLVPIESA-N	-1	0	346.394	3.459	50	0		EGAARM
CC(C)c1noc([C@@H](C)[N-]c2nnc(CSc3ccncc3)o2)n1	ZINC001772711189	1441417314	/nfs/dbraw/zinc/41/73/14/1441417314.db2.gz	XTLHOWLQHCAMGJ-SNVBAGLBSA-N	-1	0	346.416	3.436	50	0		EGAARM
O=C([O-])C1CCC(CNC(=O)Cn2ccc3ccc(Cl)cc32)CC1	ZINC000040268950	213286581	/nfs/dbraw/zinc/28/65/81/213286581.db2.gz	KBKDTIRPSSFLPI-UHFFFAOYSA-N	-1	0	348.830	3.302	50	0		EGAARM
Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC(C(=O)[O-])CC1	ZINC000040267982	213285647	/nfs/dbraw/zinc/28/56/47/213285647.db2.gz	STAIHALAHZHOOA-UHFFFAOYSA-N	-1	0	348.399	3.194	50	0		EGAARM
CC(C)(C)OC(=O)N1CCC(Cc2ccc(F)cc2)(C(=O)[O-])CC1	ZINC000035571449	202307081	/nfs/dbraw/zinc/30/70/81/202307081.db2.gz	CBYSCBWEDKOZKE-UHFFFAOYSA-N	-1	0	337.391	3.470	50	0		EGAARM
O=C([O-])[C@H]1CS[C@H](c2ccc(COc3ccc(Cl)cc3)o2)N1	ZINC000036612984	202326037	/nfs/dbraw/zinc/32/60/37/202326037.db2.gz	WGEPJEMVSQMNEA-TZMCWYRMSA-N	-1	0	339.800	3.300	50	0		EGAARM
COc1ccc(-c2nc3ccc(Cl)cc3n2O[C@@H](C)C(=O)[O-])cc1	ZINC000004001964	201586063	/nfs/dbraw/zinc/58/60/63/201586063.db2.gz	OXDRERZUVMJGTN-JTQLQIEISA-N	-1	0	346.770	3.267	50	0		EGAARM
O=C([O-])c1ccccc1[C@@H]1CCN(Cc2noc(-c3ccccc3)n2)C1	ZINC000072134763	203165884	/nfs/dbraw/zinc/16/58/84/203165884.db2.gz	KYHMGZJJRAGSPE-OAHLLOKOSA-N	-1	0	349.390	3.424	50	0		EGAARM
COc1nc2ccccc2cc1-c1cc(NCC(=O)[O-])nc2[nH]ccc21	ZINC000072148532	203171845	/nfs/dbraw/zinc/17/18/45/203171845.db2.gz	BJBYEVKJMCPPEQ-UHFFFAOYSA-N	-1	0	348.362	3.283	50	0		EGAARM
CCCc1cc(=O)n2nc(SCc3ccc(Cl)cc3)[n-]c2n1	ZINC000100133758	203989735	/nfs/dbraw/zinc/98/97/35/203989735.db2.gz	ZELJWVSPZRCKIT-UHFFFAOYSA-N	-1	0	334.832	3.316	50	0		EGAARM
CSCc1ccc(-c2nc(-c3ccccc3)nn2CC(=O)[O-])o1	ZINC000097532114	203949740	/nfs/dbraw/zinc/94/97/40/203949740.db2.gz	DHCCYYVISDTFCO-UHFFFAOYSA-N	-1	0	329.381	3.153	50	0		EGAARM
COc1ccc(-n2c(SCC(=O)[O-])nnc2-c2cccs2)cc1	ZINC000000107064	206208113	/nfs/dbraw/zinc/20/81/13/206208113.db2.gz	OOKJBOMIRRNBRO-UHFFFAOYSA-N	-1	0	347.421	3.181	50	0		EGAARM
Cc1cc(C)c(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccccc2)c(C)c1	ZINC000000181231	206208215	/nfs/dbraw/zinc/20/82/15/206208215.db2.gz	GZZODOOCSPMUJP-MRXNPFEDSA-N	-1	0	347.436	3.106	50	0		EGAARM
O=C([O-])c1c(=O)[nH]c2ccccc2c1NCc1ccccc1Cl	ZINC000170624642	206590840	/nfs/dbraw/zinc/59/08/40/206590840.db2.gz	OTPLEENKPVNDRQ-UHFFFAOYSA-N	-1	0	328.755	3.492	50	0		EGAARM
O=C([O-])c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1	ZINC000000275873	304229824	/nfs/dbraw/zinc/22/98/24/304229824.db2.gz	AFSLRXYYANFMSX-UHFFFAOYSA-N	-1	0	325.221	3.252	50	0		EGAARM
Cc1cc(=O)c(C(=O)[O-])c(CCc2ccccc2)n1Cc1ccccn1	ZINC000299773634	258085686	/nfs/dbraw/zinc/08/56/86/258085686.db2.gz	GOANOKWFGPKGNZ-UHFFFAOYSA-N	-1	0	348.402	3.083	50	0		EGAARM
CC(=O)N[C@@H]1CN(Cc2c(Cl)ccc([O-])c2Cl)C[C@H]1C(C)C	ZINC000095521026	277049269	/nfs/dbraw/zinc/04/92/69/277049269.db2.gz	JREQYQNIESRAKG-SMDDNHRTSA-N	-1	0	345.270	3.292	50	0		EGAARM
COC(=O)c1cc(Br)c(Cl)c(Br)c1[O-]	ZINC000015021271	277418552	/nfs/dbraw/zinc/41/85/52/277418552.db2.gz	GZRLWDKMFBMBDE-UHFFFAOYSA-N	-1	0	344.386	3.357	50	0		EGAARM
COc1ccc([C@@H]2CC(=O)c3ccccc3O2)c(C(=O)[O-])c1OC	ZINC000000518612	295218254	/nfs/dbraw/zinc/21/82/54/295218254.db2.gz	MUXUEWJEXAXFDA-HNNXBMFYSA-N	-1	0	328.320	3.109	50	0	biogenic	EGAARM
COc1ccc([C@H](CC(=O)[O-])c2ccc3c(c2)OCCO3)cc1OC	ZINC000000106361	452508291	/nfs/dbraw/zinc/50/82/91/452508291.db2.gz	KNCDODACLPRHBY-AWEZNQCLSA-N	-1	0	344.363	3.082	50	0		EGAARM
CC(C)C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1	ZINC000000237503	452543050	/nfs/dbraw/zinc/54/30/50/452543050.db2.gz	KERDHFVYBIIJMS-UHFFFAOYSA-N	-1	0	326.352	3.232	50	0		EGAARM
CC(C)(C)c1nnc([N-]S(=O)(=O)c2ccc(Cl)cc2)s1	ZINC000000380471	452576391	/nfs/dbraw/zinc/57/63/91/452576391.db2.gz	HQLOBCHPCJOPHH-UHFFFAOYSA-N	-1	0	331.850	3.290	50	0		EGAARM
O=S(=O)([N-]c1ccc(Br)cc1F)c1cccs1	ZINC000000610256	452630037	/nfs/dbraw/zinc/63/00/37/452630037.db2.gz	QXDZELHJEWIJAL-UHFFFAOYSA-N	-1	0	336.207	3.451	50	0		EGAARM
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCC[C@@H]1C(=O)[O-]	ZINC000000612664	452631532	/nfs/dbraw/zinc/63/15/32/452631532.db2.gz	UEPVIQVAERZLFO-CYBMUJFWSA-N	-1	0	348.786	3.383	50	0		EGAARM
O=C([O-])C[C@@H](c1ccccc1Cl)N1C(=O)c2ccccc2C1=O	ZINC000001301228	452652912	/nfs/dbraw/zinc/65/29/12/452652912.db2.gz	BGSPLXDOZVSYNN-AWEZNQCLSA-N	-1	0	329.739	3.152	50	0		EGAARM
CCCC[C@H](CCC(=O)Nc1ccn(-c2ccccc2)n1)C(=O)[O-]	ZINC000002377018	452695881	/nfs/dbraw/zinc/69/58/81/452695881.db2.gz	VNWDGQMXXIEUAP-CQSZACIVSA-N	-1	0	329.400	3.482	50	0		EGAARM
CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1	ZINC000002527621	452702194	/nfs/dbraw/zinc/70/21/94/452702194.db2.gz	HFPMULXPVQWEJG-SNVBAGLBSA-N	-1	0	330.178	3.100	50	0		EGAARM
Cc1cc(OC(F)F)ccc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000002784124	452724048	/nfs/dbraw/zinc/72/40/48/452724048.db2.gz	HJFMWBQZJIEVFC-RYUDHWBXSA-N	-1	0	327.327	3.426	50	0		EGAARM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl	ZINC000004206304	452798144	/nfs/dbraw/zinc/79/81/44/452798144.db2.gz	KDUPLHIWRBQFEC-CQSZACIVSA-N	-1	0	338.190	3.419	50	0		EGAARM
O=C([O-])c1cc(NCc2ccccc2Cl)ccc1N1CCOCC1	ZINC000004705131	452815553	/nfs/dbraw/zinc/81/55/53/452815553.db2.gz	QIEPONPDOLBLIU-UHFFFAOYSA-N	-1	0	346.814	3.487	50	0		EGAARM
Cc1ccccc1CNc1ccc(N2CCOCC2)c(C(=O)[O-])c1	ZINC000004703569	452815586	/nfs/dbraw/zinc/81/55/86/452815586.db2.gz	JRCIPRNCKIPVHH-UHFFFAOYSA-N	-1	0	326.396	3.142	50	0		EGAARM
O=C([O-])CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1	ZINC000005018154	452832444	/nfs/dbraw/zinc/83/24/44/452832444.db2.gz	JZKJDPSBWUHXNR-UHFFFAOYSA-N	-1	0	332.278	3.478	50	0		EGAARM
CC[C@H](C)OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000005910102	452910372	/nfs/dbraw/zinc/91/03/72/452910372.db2.gz	LPBJSBYDQADWLR-VBNZEHGJSA-N	-1	0	345.395	3.247	50	0		EGAARM
COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1	ZINC000006372020	452938826	/nfs/dbraw/zinc/93/88/26/452938826.db2.gz	WIWOCMYFXICZJF-UHFFFAOYSA-N	-1	0	341.388	3.427	50	0		EGAARM
COc1ccc(-c2cc(C(=O)[N-]c3nnc(SC)s3)no2)cc1	ZINC000011915995	453337551	/nfs/dbraw/zinc/33/75/51/453337551.db2.gz	AFBMIPVRCRRZKH-UHFFFAOYSA-N	-1	0	348.409	3.176	50	0		EGAARM
Cc1nc2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])cc2nc1C	ZINC000012372664	453356880	/nfs/dbraw/zinc/35/68/80/453356880.db2.gz	RJMREODRLBVJHL-KBPBESRZSA-N	-1	0	327.384	3.076	50	0		EGAARM
Cc1cc(N2CCN(c3ccccc3)CC2)nc(-c2ccccc2[O-])n1	ZINC000013130518	453447842	/nfs/dbraw/zinc/44/78/42/453447842.db2.gz	VRCXDZJKAPUFGZ-UHFFFAOYSA-N	-1	0	346.434	3.484	50	0	aggregator	EGAARM
CCc1nc2sc([C@@H](c3ccco3)N3CCC[C@@H](C)C3)c([O-])n2n1	ZINC000016690065	453619012	/nfs/dbraw/zinc/61/90/12/453619012.db2.gz	AEORYQAXPUGBGE-BXUZGUMPSA-N	-1	0	346.456	3.473	50	0		EGAARM
COc1ccc(-c2cc(=O)n3nc(-c4ccccc4)[n-]c3n2)cc1OC	ZINC000017879110	453639124	/nfs/dbraw/zinc/63/91/24/453639124.db2.gz	XNVZEWZSSLHBMI-UHFFFAOYSA-N	-1	0	348.362	3.181	50	0		EGAARM
CCc1cccc(C)c1NC(=O)c1c(C(=O)[O-])cccc1[N+](=O)[O-]	ZINC000019909592	453660820	/nfs/dbraw/zinc/66/08/20/453660820.db2.gz	QLULZMFDYWAILD-UHFFFAOYSA-N	-1	0	328.324	3.416	50	0		EGAARM
Cc1ccc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)nn1	ZINC000035597958	453924350	/nfs/dbraw/zinc/92/43/50/453924350.db2.gz	BHGCGFCUPJJPRZ-UHFFFAOYSA-N	-1	0	340.408	3.329	50	0		EGAARM
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)[O-]	ZINC000040566511	453953061	/nfs/dbraw/zinc/95/30/61/453953061.db2.gz	QIUZGOVYNVWFFN-ZDUSSCGKSA-N	-1	0	338.791	3.342	50	0		EGAARM
CCc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)[nH]1	ZINC000095388668	454199655	/nfs/dbraw/zinc/19/96/55/454199655.db2.gz	QKAQKQRPOISLCM-OAHLLOKOSA-N	-1	0	326.396	3.295	50	0		EGAARM
Cc1[nH]c2c(cccc2F)c1CC(=O)N[C@H](CC(=O)[O-])c1ccco1	ZINC000095519886	454226678	/nfs/dbraw/zinc/22/66/78/454226678.db2.gz	VMLOBAPGOPPTRB-CQSZACIVSA-N	-1	0	344.342	3.083	50	0		EGAARM
CCCn1c2ccccc2c([O-])c(C(=O)NCc2ccccc2)c1=O	ZINC000100512473	454466271	/nfs/dbraw/zinc/46/62/71/454466271.db2.gz	PMQHJARMPQEMPC-UHFFFAOYSA-N	-1	0	336.391	3.047	50	0		EGAARM
CCSc1n[n-]c2nc3c(c(=O)n12)[C@](C)(CC)Cc1ccccc1-3	ZINC000101015912	454469095	/nfs/dbraw/zinc/46/90/95/454469095.db2.gz	SAQZWUOTNUEMRJ-GOSISDBHSA-N	-1	0	340.452	3.420	50	0		EGAARM
Cc1cc(N(C)Cc2nc(C3CC3)no2)nc(-c2ccccc2[O-])n1	ZINC000091860746	454483331	/nfs/dbraw/zinc/48/33/31/454483331.db2.gz	DRJIHRNRLAZURY-UHFFFAOYSA-N	-1	0	337.383	3.054	50	0		EGAARM
C[C@H](O)[C@@H](C(=O)[O-])[C@@H](c1ccccc1)[Si](C)(C)c1ccccc1	ZINC000169950724	454931550	/nfs/dbraw/zinc/93/15/50/454931550.db2.gz	FWSPPXISTPEPSH-BMGDILEWSA-N	-1	0	328.484	3.007	50	0		EGAARM
Cc1cccc([N-]S(=O)(=O)c2ccc(Br)s2)n1	ZINC000000470819	462565600	/nfs/dbraw/zinc/56/56/00/462565600.db2.gz	BFWMRZYVKTWFDR-UHFFFAOYSA-N	-1	0	333.232	3.015	50	0		EGAARM
CCCc1nc(=NC[C@@H](c2ccc(Cl)cc2)n2ccnc2)s[n-]1	ZINC000585139191	459829187	/nfs/dbraw/zinc/82/91/87/459829187.db2.gz	OVLRMUGXRSMJDO-AWEZNQCLSA-N	-1	0	347.875	3.464	50	0		EGAARM
O=C([O-])C12CC(C1)CN2C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000253182968	547317961	/nfs/dbraw/zinc/31/79/61/547317961.db2.gz	JMVXIHLJJFHMKW-UHFFFAOYSA-N	-1	0	349.386	3.485	50	0		EGAARM
O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc2c(s1)CCCCC2	ZINC000006700310	1424142303	/nfs/dbraw/zinc/14/23/03/1424142303.db2.gz	DAUXFMAJAKWNHY-UHFFFAOYSA-N	-1	0	339.424	3.449	50	0		EGAARM
Cn1c(SCC(=O)[O-])nnc1C(c1ccccc1)c1ccccc1	ZINC000067489524	215153032	/nfs/dbraw/zinc/15/30/32/215153032.db2.gz	SIACAGQIDAKFDM-UHFFFAOYSA-N	-1	0	339.420	3.172	50	0		EGAARM
O=C([O-])C[C@@H]1COc2ccccc2N1C(=O)c1ccccc1Cl	ZINC000004003650	304079320	/nfs/dbraw/zinc/07/93/20/304079320.db2.gz	UKBQVLNEOLPVSM-LLVKDONJSA-N	-1	0	331.755	3.223	50	0		EGAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1	ZINC000000078004	209404355	/nfs/dbraw/zinc/40/43/55/209404355.db2.gz	QJERBBQXOMUURJ-MRXNPFEDSA-N	-1	0	342.782	3.247	50	0	biogenic,in-vitro	EGAARM
O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1nc(-c2ccccc2)cs1	ZINC000002759743	304099944	/nfs/dbraw/zinc/09/99/44/304099944.db2.gz	JHVAVFCAELQJSD-QWHCGFSZSA-N	-1	0	328.393	3.416	50	0		EGAARM
O=C(Cn1ccc2ccc(Cl)cc21)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000238900795	201151044	/nfs/dbraw/zinc/15/10/44/201151044.db2.gz	KBKDTIRPSSFLPI-MQMHXKEQSA-N	-1	0	348.830	3.302	50	0		EGAARM
CC(C)(C)OC(=O)N1CCC[C@@H](COc2cccc(C(=O)[O-])c2)C1	ZINC000047218842	202579203	/nfs/dbraw/zinc/57/92/03/202579203.db2.gz	IPFILXYOQWWBFO-CYBMUJFWSA-N	-1	0	335.400	3.411	50	0		EGAARM
O=C([O-])c1cccc(CN2C(=O)S[C@@H](Nc3ccccc3)C2=O)c1	ZINC000001300908	201501783	/nfs/dbraw/zinc/50/17/83/201501783.db2.gz	GZKIAFLMIQKHCK-CQSZACIVSA-N	-1	0	342.376	3.018	50	0		EGAARM
Cc1cccc([C@H](NC(=O)CCC(=O)c2ccc(F)cc2)C(=O)[O-])c1	ZINC000219934136	241422650	/nfs/dbraw/zinc/42/26/50/241422650.db2.gz	PTKSUWHKDZSROH-SFHVURJKSA-N	-1	0	343.354	3.039	50	0		EGAARM
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-]	ZINC000002569247	201536229	/nfs/dbraw/zinc/53/62/29/201536229.db2.gz	SMVCCWNHCHCWAZ-NSHDSACASA-N	-1	0	333.306	3.226	50	0		EGAARM
Nc1ccc(Br)cc1-c1nnc(-c2ccccc2)c(=O)[n-]1	ZINC000071922015	203152165	/nfs/dbraw/zinc/15/21/65/203152165.db2.gz	HZHYQSDWNBYORI-UHFFFAOYSA-N	-1	0	343.184	3.256	50	0		EGAARM
CCOC(=O)C[C@@H](c1ccsc1)c1c(=O)[nH]c2ccccc2c1[O-]	ZINC000072404683	203214541	/nfs/dbraw/zinc/21/45/41/203214541.db2.gz	YPQQHJTYFGRADR-ZDUSSCGKSA-N	-1	0	343.404	3.380	50	0		EGAARM
CCOc1ccc(-c2ccnc(N[C@H](C)C3CC3)n2)cc1C(=O)[O-]	ZINC000077379216	203384482	/nfs/dbraw/zinc/38/44/82/203384482.db2.gz	BRKQUKNCMFPQTC-LLVKDONJSA-N	-1	0	327.384	3.451	50	0		EGAARM
C[C@@H](c1ccccc1)n1c(SCC(=O)[O-])nnc1-c1ccncc1	ZINC000067696490	296237271	/nfs/dbraw/zinc/23/72/71/296237271.db2.gz	YMICILFPCZCISJ-LBPRGKRZSA-N	-1	0	340.408	3.126	50	0		EGAARM
O=C([O-])c1nsc2c1NC(=O)C[C@@H]2c1ccc(F)c(F)c1F	ZINC000072401759	304285236	/nfs/dbraw/zinc/28/52/36/304285236.db2.gz	CIGCNLKVEKCHQJ-RXMQYKEDSA-N	-1	0	328.271	3.382	50	0		EGAARM
CC(C)c1[nH]nc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)c1-c1ccccc1	ZINC000071284074	280659034	/nfs/dbraw/zinc/65/90/34/280659034.db2.gz	KSGDCXOZMYSBPA-KBPBESRZSA-N	-1	0	341.411	3.495	50	0		EGAARM
CC1(C)[C@@H](C(=O)Nc2nc3c(s2)CCCC3)CC[C@@]1(C)C(=O)[O-]	ZINC000003079633	281435194	/nfs/dbraw/zinc/43/51/94/281435194.db2.gz	RZKGSHKOELFAFT-QGHHPUGFSA-N	-1	0	336.457	3.488	50	0		EGAARM
CCc1nc2sc([C@H](c3ccco3)N3CCC(C)CC3)c([O-])n2n1	ZINC000022853392	288637932	/nfs/dbraw/zinc/63/79/32/288637932.db2.gz	BXOKALXTWMSRBB-AWEZNQCLSA-N	-1	0	346.456	3.473	50	0		EGAARM
COc1ccc2cc(CC(=O)[O-])c(I)cc2c1	ZINC000098042875	295278853	/nfs/dbraw/zinc/27/88/53/295278853.db2.gz	ALNQWCXUEFZKIR-UHFFFAOYSA-N	-1	0	342.132	3.080	50	0		EGAARM
COc1ccc2nc([N-]S(=O)(=O)Cc3ccccc3)sc2c1	ZINC000000068407	452497560	/nfs/dbraw/zinc/49/75/60/452497560.db2.gz	NMDLORKLDBJJBT-UHFFFAOYSA-N	-1	0	334.422	3.247	50	0		EGAARM
CC(C)Oc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2ccccc2)cc1	ZINC000000106253	452508215	/nfs/dbraw/zinc/50/82/15/452508215.db2.gz	QDBRPWBSAVOYIV-GOSISDBHSA-N	-1	0	341.407	3.349	50	0		EGAARM
Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)[O-])cc12	ZINC000000211818	452536622	/nfs/dbraw/zinc/53/66/22/452536622.db2.gz	NMVIGYPBNGYGGC-UHFFFAOYSA-N	-1	0	341.411	3.337	50	0		EGAARM
Cc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2)cc1Cl	ZINC000000309092	452561175	/nfs/dbraw/zinc/56/11/75/452561175.db2.gz	BXJZDQBFIMDKAI-UHFFFAOYSA-N	-1	0	348.811	3.473	50	0		EGAARM
COc1c(Br)cc(Br)cc1/C=C/C(=O)[O-]	ZINC000000570099	452626064	/nfs/dbraw/zinc/62/60/64/452626064.db2.gz	KMKGCULPJBXTLJ-NSCUHMNNSA-N	-1	0	335.979	3.318	50	0		EGAARM
COc1ccc(C(=O)NCc2c(CC(C)C)oc(C)c2C(=O)[O-])cc1	ZINC000000615149	452631621	/nfs/dbraw/zinc/63/16/21/452631621.db2.gz	GBRCPEAJORKSSP-UHFFFAOYSA-N	-1	0	345.395	3.423	50	0		EGAARM
O=C([O-])c1cc(Cl)c(=O)n(Cc2ccc(C(F)(F)F)cc2)c1	ZINC000002525227	452702908	/nfs/dbraw/zinc/70/29/08/452702908.db2.gz	HTOSRORQIXOYNC-UHFFFAOYSA-N	-1	0	331.677	3.267	50	0		EGAARM
COc1ccc(-c2n[nH]cc2Oc2ccc(C(=O)[O-])cc2)c(O)c1	ZINC000003892998	452789212	/nfs/dbraw/zinc/78/92/12/452789212.db2.gz	GGYBKIBKGILMSS-UHFFFAOYSA-N	-1	0	326.308	3.281	50	0		EGAARM
O=C([O-])CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1	ZINC000004871436	452823976	/nfs/dbraw/zinc/82/39/76/452823976.db2.gz	DHADCQMIKYYZNF-AWEZNQCLSA-N	-1	0	346.770	3.476	50	0		EGAARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)c(Cl)c1	ZINC000005769148	452902053	/nfs/dbraw/zinc/90/20/53/452902053.db2.gz	WTVWQKUYRUNANF-AWEZNQCLSA-N	-1	0	338.190	3.419	50	0		EGAARM
CCC(CC)c1nnc([N-]S(=O)(=O)c2ccc(OC)cc2)s1	ZINC000005940205	452912907	/nfs/dbraw/zinc/91/29/07/452912907.db2.gz	PGYDNNOJKJNSFD-UHFFFAOYSA-N	-1	0	341.458	3.251	50	0		EGAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc3cccnc32)c1	ZINC000007709489	453107057	/nfs/dbraw/zinc/10/70/57/453107057.db2.gz	KETQNWUXPITWTO-UHFFFAOYSA-N	-1	0	344.392	3.053	50	0		EGAARM
CCOC(=O)Cc1cc(=O)n2[n-]c(C)c(-c3ccc(Cl)cc3)c2n1	ZINC000018101478	453643438	/nfs/dbraw/zinc/64/34/38/453643438.db2.gz	INRKVASJZDMHSN-UHFFFAOYSA-N	-1	0	345.786	3.169	50	0		EGAARM
CC(C)c1nc(CN2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)no1	ZINC000095362740	454196862	/nfs/dbraw/zinc/19/68/62/454196862.db2.gz	GMZUTNPTGAMDRJ-HNNXBMFYSA-N	-1	0	329.400	3.271	50	0		EGAARM
CC(C)c1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(F)c(Cl)c2)no1	ZINC000095382948	454200737	/nfs/dbraw/zinc/20/07/37/454200737.db2.gz	ICKYOVZQQYVYBV-ZDUSSCGKSA-N	-1	0	340.738	3.146	50	0		EGAARM
O=C([O-])[C@@H](Cc1ccco1)NC(=O)CCCc1ccc(Cl)cc1	ZINC000095505179	454223238	/nfs/dbraw/zinc/22/32/38/454223238.db2.gz	UHLSDUJTTRTZOA-OAHLLOKOSA-N	-1	0	335.787	3.068	50	0		EGAARM
CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CCc2cc(Cl)ccc2C1	ZINC000095635362	454231928	/nfs/dbraw/zinc/23/19/28/454231928.db2.gz	LZJLTCQUVKSYKI-INIZCTEOSA-N	-1	0	325.792	3.177	50	0		EGAARM
CC[C@H]1CN(Cc2ccc(OCc3ccc(C(=O)[O-])o3)cc2)CCO1	ZINC000097604130	454441915	/nfs/dbraw/zinc/44/19/15/454441915.db2.gz	KRJLNELASSYPQF-HNNXBMFYSA-N	-1	0	345.395	3.168	50	0		EGAARM
C[C@@H](NC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3)c1ccccc1	ZINC000100662785	454466748	/nfs/dbraw/zinc/46/67/48/454466748.db2.gz	VVVYWXCAZJKVEQ-CYBMUJFWSA-N	-1	0	348.402	3.144	50	0		EGAARM
O=C(c1ccccc1)c1ccc2c(c1[O-])[C@@H](c1cccnc1)CC(=O)O2	ZINC000253411580	455840701	/nfs/dbraw/zinc/84/07/01/455840701.db2.gz	OUOBDXQXYLDDPF-MRXNPFEDSA-N	-1	0	345.354	3.459	50	0	biogenic	EGAARM
Cc1c2ccccc2[nH]c1CN(C)C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000426395115	457821488	/nfs/dbraw/zinc/82/14/88/457821488.db2.gz	CETIOKNWXYNAQS-HNNXBMFYSA-N	-1	0	331.416	3.117	50	0		EGAARM
CCCc1nc(C)c(CNC(=O)c2cc(CC(C)C)nc(=O)[nH]2)s1	ZINC000670450321	548216908	/nfs/dbraw/zinc/21/69/08/548216908.db2.gz	ZXOQSQIYBGSCRZ-UHFFFAOYSA-N	-1	0	348.472	3.028	50	0		EGAARM
CCCn1c2ccccc2c([O-])c(C(=O)Nc2cccc(C)n2)c1=O	ZINC000006493400	1291046181	/nfs/dbraw/zinc/04/61/81/1291046181.db2.gz	IJYWIWGPEYBOCE-UHFFFAOYSA-N	-1	0	337.379	3.073	50	0		EGAARM
COc1ccc(-c2nnc(-c3cc4ccc([O-])cc4oc3=O)o2)cc1	ZINC000952962651	1334625585	/nfs/dbraw/zinc/62/55/85/1334625585.db2.gz	GLVSDCHIVUREOD-UHFFFAOYSA-N	-1	0	336.303	3.224	50	0		EGAARM
O=C([O-])COc1ccc(-c2cccs2)cc1CN1CCSCC1	ZINC001704349935	1416452611	/nfs/dbraw/zinc/45/26/11/1416452611.db2.gz	LTUSPXFNASLRJM-UHFFFAOYSA-N	-1	0	349.477	3.427	50	0		EGAARM
O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc2c(s1)CCCC2	ZINC000006698522	1423489282	/nfs/dbraw/zinc/48/92/82/1423489282.db2.gz	JWCHEAFMFNFIRL-UHFFFAOYSA-N	-1	0	325.397	3.059	50	0		EGAARM
CCOc1cc(CNc2nnn[n-]2)ccc1OCc1ccc(C)cc1	ZINC000004999772	1426054443	/nfs/dbraw/zinc/05/44/43/1426054443.db2.gz	ZAVXRNOWPWYRKU-UHFFFAOYSA-N	-1	0	339.399	3.098	50	0		EGAARM
CCOc1cccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)[O-])c1	ZINC000004700942	210252976	/nfs/dbraw/zinc/25/29/76/210252976.db2.gz	WDCZLFFNUKCNCX-UHFFFAOYSA-N	-1	0	345.351	3.053	50	0		EGAARM
Cn1c(=O)c(C(=O)Nc2ccccc2Cl)c([O-])c2ccccc21	ZINC000100513781	219101056	/nfs/dbraw/zinc/10/10/56/219101056.db2.gz	WKDGCUBFDZWQMW-UHFFFAOYSA-N	-1	0	328.755	3.150	50	0		EGAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(C)cc4)c=3c2=O)cc1	ZINC000101418332	219126563	/nfs/dbraw/zinc/12/65/63/219126563.db2.gz	LIMLRDTWIZAIDC-ROUUACIJSA-N	-1	0	348.406	3.051	50	0		EGAARM
Cc1cc(C)c(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1C	ZINC000004305398	210164997	/nfs/dbraw/zinc/16/49/97/210164997.db2.gz	YIRKRCJUJNHYAP-MRXNPFEDSA-N	-1	0	347.436	3.106	50	0		EGAARM
CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2Cl)[C@H](C(=O)[O-])C1	ZINC000004241587	210149886	/nfs/dbraw/zinc/14/98/86/210149886.db2.gz	PGJXFBYJBMDMRZ-NWDGAFQWSA-N	-1	0	325.792	3.375	50	0		EGAARM
O=C([O-])c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1	ZINC000003884710	210083578	/nfs/dbraw/zinc/08/35/78/210083578.db2.gz	MXVNZLMSWKIWPW-UHFFFAOYSA-N	-1	0	345.298	3.204	50	0		EGAARM
CCCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccs2)cc1	ZINC000003623716	210069345	/nfs/dbraw/zinc/06/93/45/210069345.db2.gz	ZFAQWHOUXQXPII-AWEZNQCLSA-N	-1	0	333.409	3.483	50	0		EGAARM
O=C1CCCC2=Nc3nonc3N[C@@H](c3ccc4c(c3)OCCO4)C12	ZINC000102737674	219226698	/nfs/dbraw/zinc/22/66/98/219226698.db2.gz	OWKJRAVVBNHGSO-HNNXBMFYSA-N	-1	0	340.339	3.076	50	0		EGAARM
O=C([O-])c1nnn(-c2cccc(C(F)(F)F)c2)c1-c1ccccn1	ZINC000067323685	215134134	/nfs/dbraw/zinc/13/41/34/215134134.db2.gz	AJCKJWUCJOJPQA-UHFFFAOYSA-N	-1	0	334.257	3.046	50	0		EGAARM
C[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000002387008	209845251	/nfs/dbraw/zinc/84/52/51/209845251.db2.gz	BMUDOYSTGJHGNI-LBPRGKRZSA-N	-1	0	325.364	3.246	50	0		EGAARM
Cc1cc2ccccc2n1CC(=O)NCC1(CC(=O)[O-])CCCCC1	ZINC000040267880	213285968	/nfs/dbraw/zinc/28/59/68/213285968.db2.gz	ZUGFUKHZQBAKKE-UHFFFAOYSA-N	-1	0	342.439	3.491	50	0		EGAARM
O=C([O-])[C@H](Cc1ccccc1Cl)NC(=O)OCc1ccccc1	ZINC000039956999	213245895	/nfs/dbraw/zinc/24/58/95/213245895.db2.gz	LPDSUROFTBQSNW-HNNXBMFYSA-N	-1	0	333.771	3.262	50	0		EGAARM
Cc1ccc(S[C@H]2C=CC(=O)N(c3ccc(C(=O)[O-])cc3)N2)cc1	ZINC000032918628	212871889	/nfs/dbraw/zinc/87/18/89/212871889.db2.gz	CTJJNFWNBALLNF-INIZCTEOSA-N	-1	0	340.404	3.219	50	0		EGAARM
O=C([O-])c1cccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@@H]3C2=O)c1	ZINC000102835333	295990848	/nfs/dbraw/zinc/99/08/48/295990848.db2.gz	MSVQNQCNCYKKHH-OLMNPRSZSA-N	-1	0	349.386	3.458	50	0		EGAARM
CC(C)(C)Cc1nnc([N-]S(=O)(=O)Cc2ccccc2)s1	ZINC000000249639	209504150	/nfs/dbraw/zinc/50/41/50/209504150.db2.gz	VWXCQVPVSJAFRD-UHFFFAOYSA-N	-1	0	325.459	3.069	50	0		EGAARM
Cc1ccc(N2C(=O)C[C@H](Sc3ccccc3C(=O)[O-])C2=O)cc1	ZINC000000099226	209419379	/nfs/dbraw/zinc/41/93/79/209419379.db2.gz	CPZZDLSITZBBJF-HNNXBMFYSA-N	-1	0	341.388	3.117	50	0		EGAARM
O=C([O-])[C@H]1c2[nH]cnc2CCN1Cc1ccc(-c2ccccc2)s1	ZINC000072440578	216234888	/nfs/dbraw/zinc/23/48/88/216234888.db2.gz	UYBSMCNLSMFSQS-QGZVFWFLSA-N	-1	0	339.420	3.322	50	0		EGAARM
Cc1cccc(OC2(C(=O)[O-])CCN(C(=O)C[C@H]3C=CCC3)CC2)c1	ZINC000072458396	216243481	/nfs/dbraw/zinc/24/34/81/216243481.db2.gz	GISDPLSDHJQCAW-INIZCTEOSA-N	-1	0	343.423	3.176	50	0		EGAARM
COc1cccc(-c2noc(-c3c[n-]c4ccccc4c3=O)n2)c1OC	ZINC000020736041	212166996	/nfs/dbraw/zinc/16/69/96/212166996.db2.gz	XHKGJXHIEWXQNQ-UHFFFAOYSA-N	-1	0	349.346	3.262	50	0		EGAARM
Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000020744923	212167895	/nfs/dbraw/zinc/16/78/95/212167895.db2.gz	STQIXEUCTHRSDE-LBPRGKRZSA-N	-1	0	336.388	3.097	50	0		EGAARM
CCCC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1	ZINC000014838879	211766909	/nfs/dbraw/zinc/76/69/09/211766909.db2.gz	DAIORVXXNFLUKZ-LSDHHAIUSA-N	-1	0	332.400	3.255	50	0		EGAARM
Cc1nc(-c2ccccc2)sc1C(=O)N1CCC(C(=O)[O-])CC1	ZINC000013425629	211556169	/nfs/dbraw/zinc/55/61/69/211556169.db2.gz	QLEYKOUWKNXEEK-UHFFFAOYSA-N	-1	0	330.409	3.055	50	0		EGAARM
CCCCNC(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1	ZINC000012403818	211369681	/nfs/dbraw/zinc/36/96/81/211369681.db2.gz	KERRPESALMNMIU-HOTGVXAUSA-N	-1	0	346.427	3.046	50	0		EGAARM
CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2c[nH]nc2-c2cccc(C)c2)C1	ZINC000091505129	218015523	/nfs/dbraw/zinc/01/55/23/218015523.db2.gz	PDGVSKMAFTVVCC-LJQANCHMSA-N	-1	0	341.411	3.102	50	0		EGAARM
CCCCOc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1	ZINC000011861716	211258574	/nfs/dbraw/zinc/25/85/74/211258574.db2.gz	OBDXULWYWQKUOZ-IAGOWNOFSA-N	-1	0	333.428	3.373	50	0		EGAARM
O=C([O-])[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@H]1c1cccc(F)c1	ZINC000091616380	218031533	/nfs/dbraw/zinc/03/15/33/218031533.db2.gz	AXFLGRQEMWGISB-JKSUJKDBSA-N	-1	0	347.773	3.420	50	0		EGAARM
Cc1ccccc1CSc1nnc([N-]C(=O)c2csnn2)s1	ZINC000009250857	211058450	/nfs/dbraw/zinc/05/84/50/211058450.db2.gz	XLBRQYJGZROLAV-UHFFFAOYSA-N	-1	0	349.466	3.243	50	0		EGAARM
CCCC(=O)Nc1cccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1	ZINC000009229945	211056012	/nfs/dbraw/zinc/05/60/12/211056012.db2.gz	QJVNFJBNQAOOSH-LSDHHAIUSA-N	-1	0	332.400	3.255	50	0		EGAARM
CC(=O)c1cccc([C@H](C(=O)[O-])N2CCc3ccccc3C2)c1F	ZINC000095354427	218288618	/nfs/dbraw/zinc/28/86/18/218288618.db2.gz	DMXJZHDBBKUJOK-GOSISDBHSA-N	-1	0	327.355	3.212	50	0		EGAARM
Cc1n[nH]c(C)c1CN(C)[C@@H](C(=O)[O-])c1c(F)cccc1OC(C)C	ZINC000095359037	218291278	/nfs/dbraw/zinc/29/12/78/218291278.db2.gz	KVXFGPQDMSXGLZ-QGZVFWFLSA-N	-1	0	349.406	3.211	50	0		EGAARM
CCCc1cc(C(=O)NC[C@H](CC(=O)[O-])c2ccc(Cl)cc2)[nH]n1	ZINC000095392394	218323377	/nfs/dbraw/zinc/32/33/77/218323377.db2.gz	HQWFMZRICURIFB-LBPRGKRZSA-N	-1	0	349.818	3.004	50	0		EGAARM
CCOc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1cccnc1	ZINC000004970395	210343827	/nfs/dbraw/zinc/34/38/27/210343827.db2.gz	SVOUJIKMNRIVIS-UHFFFAOYSA-N	-1	0	326.805	3.243	50	0		EGAARM
COc1cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)ccc1Cl	ZINC000004970448	210343562	/nfs/dbraw/zinc/34/35/62/210343562.db2.gz	BDERXWXQZZKKKI-UHFFFAOYSA-N	-1	0	333.196	3.198	50	0		EGAARM
COC(=O)c1c(NC(=O)/C=C/C(=O)[O-])sc(C)c1-c1ccccc1	ZINC000002766015	291995336	/nfs/dbraw/zinc/99/53/36/291995336.db2.gz	TWLARAPIYCNJPN-CMDGGOBGSA-N	-1	0	345.376	3.089	50	0		EGAARM
CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccccc2F)cc1	ZINC000000105066	452508416	/nfs/dbraw/zinc/50/84/16/452508416.db2.gz	NGRNCHBKOOGMOK-MRXNPFEDSA-N	-1	0	331.343	3.170	50	0		EGAARM
COc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1Cl	ZINC000000540753	452617590	/nfs/dbraw/zinc/61/75/90/452617590.db2.gz	SKCPQNXWJQYMJZ-AWEZNQCLSA-N	-1	0	348.786	3.166	50	0		EGAARM
Cc1ccc(N2C(=O)S[C@H](Nc3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000001232445	452648420	/nfs/dbraw/zinc/64/84/20/452648420.db2.gz	XZUBKCXZCGYWKL-AWEZNQCLSA-N	-1	0	342.376	3.331	50	0		EGAARM
COc1ccc(-c2oc3ccc(C)cc3c(=O)c2OCC(=O)[O-])cc1	ZINC000001951600	452683325	/nfs/dbraw/zinc/68/33/25/452683325.db2.gz	DVBCDHPFUAGSRZ-UHFFFAOYSA-N	-1	0	340.331	3.240	50	0		EGAARM
CCCCc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000002079173	452685682	/nfs/dbraw/zinc/68/56/82/452685682.db2.gz	DDSYBTJDTIFTQI-SFHVURJKSA-N	-1	0	325.408	3.455	50	0		EGAARM
S=c1[n-]nc(Cn2nnc3ccccc32)n1-c1ccc(Cl)cc1	ZINC000002523221	452702158	/nfs/dbraw/zinc/70/21/58/452702158.db2.gz	PNZIQKJZJWTJQW-UHFFFAOYSA-N	-1	0	342.815	3.376	50	0		EGAARM
CON(CCC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000002575691	452704665	/nfs/dbraw/zinc/70/46/65/452704665.db2.gz	ROUNCJXPHYHPTH-UHFFFAOYSA-N	-1	0	341.363	3.274	50	0		EGAARM
Cc1c(Cl)c(C(F)F)nn1CC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000002732811	452718254	/nfs/dbraw/zinc/71/82/54/452718254.db2.gz	ATBSPDSNJFQNQU-UHFFFAOYSA-N	-1	0	343.717	3.119	50	0		EGAARM
Cc1cc(OC(F)F)ccc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC000002784123	452724322	/nfs/dbraw/zinc/72/43/22/452724322.db2.gz	HJFMWBQZJIEVFC-VXGBXAGGSA-N	-1	0	327.327	3.426	50	0		EGAARM
O=C([O-])c1cc(NCc2ccc(Cl)cc2)ccc1N1CCOCC1	ZINC000004705119	452815544	/nfs/dbraw/zinc/81/55/44/452815544.db2.gz	BVHHBZMKPBGYFI-UHFFFAOYSA-N	-1	0	346.814	3.487	50	0		EGAARM
COc1cc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])ccc1OC(C)C	ZINC000005955361	452911712	/nfs/dbraw/zinc/91/17/12/452911712.db2.gz	BAWLMLXDHURPQP-RIYZIHGNSA-N	-1	0	349.412	3.127	50	0		EGAARM
COc1cccc(-c2cc(C(=O)[O-])n3nc4nc(C)cc(C)c4c3n2)c1	ZINC000013645653	453478445	/nfs/dbraw/zinc/47/84/45/453478445.db2.gz	WDNCPVFTJZSZTK-UHFFFAOYSA-N	-1	0	348.362	3.268	50	0		EGAARM
CS(=O)(=O)c1ccc(Oc2cccc(C(=O)[O-])c2)c(Cl)c1	ZINC000015443566	453573959	/nfs/dbraw/zinc/57/39/59/453573959.db2.gz	VDUWIGAMOUAEQF-UHFFFAOYSA-N	-1	0	326.757	3.234	50	0		EGAARM
O=c1c2c3c(sc2[n-]c(=S)n1Cc1ccccn1)CCCC3	ZINC000017067574	453627364	/nfs/dbraw/zinc/62/73/64/453627364.db2.gz	UEZBSPFFNDCGHO-UHFFFAOYSA-N	-1	0	329.450	3.443	50	0		EGAARM
O=C([O-])CCc1csc(NC(=O)Nc2ccc(Cl)cc2)n1	ZINC000026423676	453799977	/nfs/dbraw/zinc/79/99/77/453799977.db2.gz	BJDFRIKWZIMIIV-UHFFFAOYSA-N	-1	0	325.777	3.458	50	0		EGAARM
O=C([O-])c1ccc(NC(=O)Cc2csc(-c3cccnc3)n2)cc1	ZINC000031948027	453858416	/nfs/dbraw/zinc/85/84/16/453858416.db2.gz	QVJNVGNPBVIEJZ-UHFFFAOYSA-N	-1	0	339.376	3.085	50	0		EGAARM
O=C([O-])C1(Cc2ccccc2Cl)CCN(C(=O)C2CCC2)CC1	ZINC000071551799	454208867	/nfs/dbraw/zinc/20/88/67/454208867.db2.gz	QJHNGSBGOQCTJB-UHFFFAOYSA-N	-1	0	335.831	3.376	50	0		EGAARM
Cc1cc(=O)c(C2=NCCS[C@H](c3cccc(O)c3)C2)c([O-])o1	ZINC000138375842	454791937	/nfs/dbraw/zinc/79/19/37/454791937.db2.gz	HSDLYKTWICXXIR-HNNXBMFYSA-N	-1	0	331.393	3.027	50	0		EGAARM
C[C@]12[C@H](C(=O)[O-])CC[C@@H]1[C@H]1CC[C@H]3C[C@@H](O)CC[C@]3(C)[C@@H]1C[C@@H]2O	ZINC000257345816	455896539	/nfs/dbraw/zinc/89/65/39/455896539.db2.gz	JQJFMOYALOFIJZ-QINGEKLCSA-N	-1	0	336.472	3.062	50	0		EGAARM
COc1ccc2nc(NC(=O)[C@H]3CC(C)=CC[C@@H]3C(=O)[O-])sc2c1	ZINC000521398262	459147892	/nfs/dbraw/zinc/14/78/92/459147892.db2.gz	OUMCKLLKLDUBLJ-RYUDHWBXSA-N	-1	0	346.408	3.301	50	0		EGAARM
CCOCCC(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1	ZINC000585134127	459827772	/nfs/dbraw/zinc/82/77/72/459827772.db2.gz	FKZZXZJRXAACKA-UHFFFAOYSA-N	-1	0	343.379	3.329	50	0		EGAARM
C[C@@H](CNC(=O)COC1c2ccccc2-c2ccccc21)CC(=O)[O-]	ZINC000604220537	460393497	/nfs/dbraw/zinc/39/34/97/460393497.db2.gz	BDNGCEMHCIUUQI-CYBMUJFWSA-N	-1	0	339.391	3.000	50	0		EGAARM
O=C([O-])COc1ccc(Cl)cc1CN1CCc2sccc2C1	ZINC001704353036	1416453850	/nfs/dbraw/zinc/45/38/50/1416453850.db2.gz	JEAAVSTXLNTYCP-UHFFFAOYSA-N	-1	0	337.828	3.423	50	0		EGAARM
Cn1c(=O)c(C(=O)Nc2cccc(Cl)c2)c([O-])c2ccccc21	ZINC000100327228	219097078	/nfs/dbraw/zinc/09/70/78/219097078.db2.gz	LBQGFKJEKIKSTJ-UHFFFAOYSA-N	-1	0	328.755	3.150	50	0		EGAARM
CCCn1c2ccccc2c([O-])c(C(=O)Nc2cc(C)ccn2)c1=O	ZINC000100504428	219101007	/nfs/dbraw/zinc/10/10/07/219101007.db2.gz	RGARMGJDMVGSKK-UHFFFAOYSA-N	-1	0	337.379	3.073	50	0		EGAARM
CCn1c2ccsc2c([O-])c(C(=O)Nc2ccc(F)cc2C)c1=O	ZINC000049409538	214006098	/nfs/dbraw/zinc/00/60/98/214006098.db2.gz	IAOAIDWHNFFLFZ-UHFFFAOYSA-N	-1	0	346.383	3.488	50	0		EGAARM
CCCSc1n[n-]c2nc3sc4c(c3c(=O)n12)CCCCC4	ZINC000101655596	219151723	/nfs/dbraw/zinc/15/17/23/219151723.db2.gz	IXVOYYHUCYVPOD-UHFFFAOYSA-N	-1	0	334.470	3.403	50	0		EGAARM
CCCCCC[C@@H](O)C[C@H](O)[C@@H](O)CCCCCCCC(=O)[O-]	ZINC000004026461	210103090	/nfs/dbraw/zinc/10/30/90/210103090.db2.gz	DJKUVMZEGIWUTP-IKGGRYGDSA-N	-1	0	332.481	3.245	50	0	biogenic	EGAARM
CCCCNC(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1	ZINC000012403820	282833564	/nfs/dbraw/zinc/83/35/64/282833564.db2.gz	KERRPESALMNMIU-JKSUJKDBSA-N	-1	0	346.427	3.046	50	0		EGAARM
C[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])C12CC3CC(CC(C3)C1)C2	ZINC000004019408	299204336	/nfs/dbraw/zinc/20/43/36/299204336.db2.gz	LWNFGAHZGNWAKY-QNKUTRHNSA-N	-1	0	331.456	3.375	50	0		EGAARM
O=C([O-])CCC(=O)NCc1cn(Cc2ccccc2)c2ccccc12	ZINC000000517885	209643432	/nfs/dbraw/zinc/64/34/32/209643432.db2.gz	HCPHTSANHJVLFN-UHFFFAOYSA-N	-1	0	336.391	3.171	50	0		EGAARM
O=C([N-]C(=O)C(F)(F)F)N[C@H](c1ccccc1)c1cccc(F)c1	ZINC000000509831	209641168	/nfs/dbraw/zinc/64/11/68/209641168.db2.gz	MGGLNSJECPXDRZ-CYBMUJFWSA-N	-1	0	340.276	3.303	50	0		EGAARM
O=C([O-])[C@]1(CCCc2ccccc2)CCCN(c2cnccn2)C1	ZINC000071748783	215806284	/nfs/dbraw/zinc/80/62/84/215806284.db2.gz	WWTCGVRKYYQRLA-LJQANCHMSA-N	-1	0	325.412	3.171	50	0		EGAARM
CC(C)(C)c1nc(CN2CC[C@H](c3ccccc3C(=O)[O-])C2)no1	ZINC000072131922	216020246	/nfs/dbraw/zinc/02/02/46/216020246.db2.gz	AOVQVRIKURKRMN-LBPRGKRZSA-N	-1	0	329.400	3.055	50	0		EGAARM
Cc1cc(C2CCC2)nc(-c2cc(NCC(=O)[O-])nc3[nH]ccc32)n1	ZINC000072133506	216021726	/nfs/dbraw/zinc/02/17/26/216021726.db2.gz	JWEDBQZDHWAGIR-UHFFFAOYSA-N	-1	0	337.383	3.092	50	0		EGAARM
CC(C)(C)c1nc(CN2CC[C@@H](Cc3cccc(C(=O)[O-])c3)C2)no1	ZINC000072157901	216048408	/nfs/dbraw/zinc/04/84/08/216048408.db2.gz	HNOLZTDWAAEOFT-AWEZNQCLSA-N	-1	0	343.427	3.130	50	0		EGAARM
O=C([O-])Cc1c(Br)cc(Br)c(F)c1F	ZINC000263622792	304087701	/nfs/dbraw/zinc/08/77/01/304087701.db2.gz	AXZWIEPSDHVAGB-UHFFFAOYSA-N	-1	0	329.922	3.117	50	0		EGAARM
Cc1c(NC(=S)NC(=O)C=Cc2ccccc2)cccc1C(=O)[O-]	ZINC000000312277	209530650	/nfs/dbraw/zinc/53/06/50/209530650.db2.gz	PNYQBKOHUZOVGT-ZHACJKMWSA-N	-1	0	340.404	3.220	50	0		EGAARM
COc1ccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)cc1OC	ZINC000000070058	209399845	/nfs/dbraw/zinc/39/98/45/209399845.db2.gz	DXWLQMBYYQPYHQ-UHFFFAOYSA-N	-1	0	335.400	3.458	50	0		EGAARM
Cc1ccc(OC2(C(=O)[O-])CCN(C(=O)C[C@H]3C=CCC3)CC2)cc1	ZINC000072463159	216245879	/nfs/dbraw/zinc/24/58/79/216245879.db2.gz	DNCHVQFRNWODIZ-INIZCTEOSA-N	-1	0	343.423	3.176	50	0		EGAARM
CCCCN1CNc2c(c(=O)[n-]c(=S)n2-c2cccc(C)c2C)C1	ZINC000020567677	212147961	/nfs/dbraw/zinc/14/79/61/212147961.db2.gz	MLIITPZTLAZPET-UHFFFAOYSA-N	-1	0	344.484	3.497	50	0		EGAARM
Cc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)[O-])cc1C	ZINC000012394652	211367868	/nfs/dbraw/zinc/36/78/68/211367868.db2.gz	YXBMGPXQVFTPPI-CSKARUKUSA-N	-1	0	325.364	3.419	50	0		EGAARM
COC(=O)c1cnc([N-]c2nc(-c3ccccc3)cs2)nc1C	ZINC000012323057	211347959	/nfs/dbraw/zinc/34/79/59/211347959.db2.gz	IKOBBOLGJQUCKC-UHFFFAOYSA-N	-1	0	326.381	3.439	50	0		EGAARM
COCCC[C@]1(C(=O)[O-])CCCN(C(=O)CCc2ccccc2C)C1	ZINC000091587472	218026781	/nfs/dbraw/zinc/02/67/81/218026781.db2.gz	HNSWUUCPSBLHDI-HXUWFJFHSA-N	-1	0	347.455	3.048	50	0		EGAARM
O=C([O-])c1cccc(C[C@@H]2CCN(C(=O)CCC(F)(F)F)C2)c1	ZINC000095371991	218305201	/nfs/dbraw/zinc/30/52/01/218305201.db2.gz	GXVBABKCXMLVGL-LBPRGKRZSA-N	-1	0	329.318	3.118	50	0		EGAARM
Cn1cc(Cl)cc1C(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1	ZINC000095376946	218310137	/nfs/dbraw/zinc/31/01/37/218310137.db2.gz	YWCLXDHCCDSYNU-AWEZNQCLSA-N	-1	0	346.814	3.397	50	0		EGAARM
COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1	ZINC000006916782	210743107	/nfs/dbraw/zinc/74/31/07/210743107.db2.gz	QXAMGSSTTMPPIF-UHFFFAOYSA-N	-1	0	349.792	3.128	50	0		EGAARM
O=C([O-])c1cc2c(c([C@H]3CC(=O)c4cc(F)ccc4O3)c1)OCOC2	ZINC000001280474	304228663	/nfs/dbraw/zinc/22/86/63/304228663.db2.gz	PXGDTCGBKZHKTC-MRXNPFEDSA-N	-1	0	344.294	3.097	50	0		EGAARM
Cc1cc([O-])c(C2=NCCS[C@@H](c3cccc(O)c3)C2)c(=O)o1	ZINC000005730261	210525092	/nfs/dbraw/zinc/52/50/92/210525092.db2.gz	SJJQRYWCJXFVKU-OAHLLOKOSA-N	-1	0	331.393	3.027	50	0	biogenic	EGAARM
O=C([O-])c1ccc2c(=O)[nH]c(-c3ccc(Br)cc3)nc2c1	ZINC000019413752	304251722	/nfs/dbraw/zinc/25/17/22/304251722.db2.gz	XJTCTFJCLCJVEL-UHFFFAOYSA-N	-1	0	345.152	3.051	50	0		EGAARM
COc1ccc([C@H]2SCC(=O)N2c2ccc(C(=O)[O-])cc2)cc1	ZINC000005513926	210479083	/nfs/dbraw/zinc/47/90/83/210479083.db2.gz	WDBHEZJQSHYYSQ-MRXNPFEDSA-N	-1	0	329.377	3.172	50	0		EGAARM
C[C@H](NC(=O)c1ccccc1C(=O)[O-])c1ccc(-n2ccnc2)cc1	ZINC000004945466	210336001	/nfs/dbraw/zinc/33/60/01/210336001.db2.gz	SLZCTDVWWHNJOG-ZDUSSCGKSA-N	-1	0	335.363	3.062	50	0		EGAARM
O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2cc(-c3ccccc3Cl)no2)C1	ZINC000299770796	258083679	/nfs/dbraw/zinc/08/36/79/258083679.db2.gz	RMYYSHSCVWBECJ-WDEREUQCSA-N	-1	0	348.786	3.112	50	0		EGAARM
CC(=O)N1[C@H](C(=O)[O-])Cc2c3ccccc3[nH]c2[C@@H]1c1ccccc1	ZINC000000586551	278075666	/nfs/dbraw/zinc/07/56/66/278075666.db2.gz	RKISQQCZJAUBPR-HKUYNNGSSA-N	-1	0	334.375	3.115	50	0	biogenic	EGAARM
COc1ccc(S(=O)(=O)[N-]c2ncccc2C)cc1C(C)(C)C	ZINC000008714964	295201408	/nfs/dbraw/zinc/20/14/08/295201408.db2.gz	YMNXJPOMTWNJBY-UHFFFAOYSA-N	-1	0	334.441	3.497	50	0		EGAARM
CC(C)c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1	ZINC000000078895	452500858	/nfs/dbraw/zinc/50/08/58/452500858.db2.gz	DBSRXZMTMQLHQG-KRWDZBQOSA-N	-1	0	347.436	3.304	50	0		EGAARM
O=C([O-])c1ccc(CNC(=S)NCc2ccc(Cl)cc2)cc1	ZINC000000609643	452629718	/nfs/dbraw/zinc/62/97/18/452629718.db2.gz	UJKMFSHYTOHUNH-UHFFFAOYSA-N	-1	0	334.828	3.203	50	0		EGAARM
O=S(=O)([N-]c1nnc(C(F)(F)F)s1)c1ccc(Cl)cc1	ZINC000001140517	452646360	/nfs/dbraw/zinc/64/63/60/452646360.db2.gz	SAUHBIPFUMQGGQ-UHFFFAOYSA-N	-1	0	343.739	3.011	50	0		EGAARM
CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccncc2)c1=O	ZINC000002270818	452692303	/nfs/dbraw/zinc/69/23/03/452692303.db2.gz	SETXGDYFXNAUIX-UHFFFAOYSA-N	-1	0	337.379	3.155	50	0		EGAARM
O=C([O-])CC1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000002391703	452696196	/nfs/dbraw/zinc/69/61/96/452696196.db2.gz	RKRHXPLYZMPRAA-UHFFFAOYSA-N	-1	0	337.375	3.342	50	0		EGAARM
O=C([N-]c1c(F)c(F)cc(F)c1F)c1nn2cccnc2c1Cl	ZINC000002790093	452723938	/nfs/dbraw/zinc/72/39/38/452723938.db2.gz	BDKACDZLCOPSIL-UHFFFAOYSA-N	-1	0	344.655	3.191	50	0		EGAARM
Cc1cccc(Cn2cc([N-]S(=O)(=O)c3cccs3)cn2)c1	ZINC000002791916	452724505	/nfs/dbraw/zinc/72/45/05/452724505.db2.gz	PUGTWGCYXQLKNK-UHFFFAOYSA-N	-1	0	333.438	3.102	50	0		EGAARM
Cc1ccc(S(=O)(=O)[N-]c2cnn(Cc3cccc(F)c3)c2)cc1	ZINC000002792174	452724538	/nfs/dbraw/zinc/72/45/38/452724538.db2.gz	DCXUUFMTAPFVAA-UHFFFAOYSA-N	-1	0	345.399	3.180	50	0		EGAARM
Cc1cc(=O)n(-c2ccc(Br)cc2Br)[nH]1	ZINC000004015804	452790263	/nfs/dbraw/zinc/79/02/63/452790263.db2.gz	HYXFBIWSOUSCNV-UHFFFAOYSA-N	-1	0	331.995	3.324	50	0		EGAARM
O=C([O-])c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1	ZINC000006147438	452923184	/nfs/dbraw/zinc/92/31/84/452923184.db2.gz	KYCXQLZPDVXMGB-UHFFFAOYSA-N	-1	0	327.361	3.339	50	0		EGAARM
COC(=O)c1cc(-c2cccs2)n(-c2ccc(C(=O)[O-])cc2)n1	ZINC000006667018	452966480	/nfs/dbraw/zinc/96/64/80/452966480.db2.gz	LHFRNFJFRXSGFK-UHFFFAOYSA-N	-1	0	328.349	3.086	50	0		EGAARM
CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1	ZINC000006706571	452974336	/nfs/dbraw/zinc/97/43/36/452974336.db2.gz	ZQGCHWVKALWXMP-UHFFFAOYSA-N	-1	0	344.845	3.185	50	0		EGAARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2O)cc1C(C)(C)C	ZINC000008132543	453167538	/nfs/dbraw/zinc/16/75/38/453167538.db2.gz	XLXWDQHQUHATQR-UHFFFAOYSA-N	-1	0	335.425	3.499	50	0		EGAARM
O=C([O-])c1cccc(CN2C(=S)N=NC2c2cc(F)ccc2F)c1	ZINC000013733600	453486790	/nfs/dbraw/zinc/48/67/90/453486790.db2.gz	JTVKLSJQHDQPDV-UHFFFAOYSA-N	-1	0	347.346	3.259	50	0		EGAARM
CC(=O)c1ccc(NC(=S)NCc2ccc(C(=O)[O-])cc2)cc1	ZINC000013813220	453491405	/nfs/dbraw/zinc/49/14/05/453491405.db2.gz	YMLDSCZBOCBAKL-UHFFFAOYSA-N	-1	0	328.393	3.074	50	0		EGAARM
O=C([O-])CCCC(=O)Nc1scc2c1c(=O)oc1ccccc21	ZINC000017067975	453628254	/nfs/dbraw/zinc/62/82/54/453628254.db2.gz	XCNUZXHCLWRFQB-UHFFFAOYSA-N	-1	0	331.349	3.201	50	0		EGAARM
C[C@@H](NC(=O)Cc1csc([N-]c2ncccn2)n1)c1ccccc1	ZINC000044227662	454092435	/nfs/dbraw/zinc/09/24/35/454092435.db2.gz	YSBWRGQQKKFGBD-GFCCVEGCSA-N	-1	0	339.424	3.097	50	0		EGAARM
O=S(=O)(CCOc1ccccc1)[N-]c1cccc2cccnc21	ZINC000070637770	454170303	/nfs/dbraw/zinc/17/03/03/454170303.db2.gz	WURYTQKTELHSOZ-UHFFFAOYSA-N	-1	0	328.393	3.056	50	0		EGAARM
O=C([O-])[C@]1(CCCc2ccccc2)CCCN(c2ncccn2)C1	ZINC000071524138	454209046	/nfs/dbraw/zinc/20/90/46/454209046.db2.gz	JRSOLBBEVZMJFX-LJQANCHMSA-N	-1	0	325.412	3.171	50	0		EGAARM
Cc1ccc(N2CCC(CCCc3ccccc3)(C(=O)[O-])CC2)nn1	ZINC000071756983	454214500	/nfs/dbraw/zinc/21/45/00/454214500.db2.gz	LVRJGJWHCIKCKZ-UHFFFAOYSA-N	-1	0	339.439	3.479	50	0		EGAARM
CC(C)n1cc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)cn1	ZINC000095497047	454221620	/nfs/dbraw/zinc/22/16/20/454221620.db2.gz	MBDGMTZJQWTOBY-CQSZACIVSA-N	-1	0	335.791	3.063	50	0		EGAARM
C[C@@H](NC(=O)c1csc([N-]c2ncccn2)n1)c1ccccc1	ZINC000049032175	454528766	/nfs/dbraw/zinc/52/87/66/454528766.db2.gz	CWCUNRUDMJKSIC-LLVKDONJSA-N	-1	0	325.397	3.168	50	0		EGAARM
Cc1cccc(CNC(=O)c2c([O-])c3cccc4c3n(c2=O)[C@@H](C)C4)c1	ZINC000170624689	454944531	/nfs/dbraw/zinc/94/45/31/454944531.db2.gz	QZGDMCBFTXGLJM-ZDUSSCGKSA-N	-1	0	348.402	3.063	50	0		EGAARM
Cc1cccc(CN(C(=O)NC2(C(=O)[O-])CC2)C2CCCCC2)c1	ZINC000426623251	457864767	/nfs/dbraw/zinc/86/47/67/457864767.db2.gz	PTLIZKKIGUZUSH-UHFFFAOYSA-N	-1	0	330.428	3.457	50	0		EGAARM
Cc1cccc(N2CCC(NC(=O)c3ccccc3C(=O)[O-])CC2)c1	ZINC000426690757	457878212	/nfs/dbraw/zinc/87/82/12/457878212.db2.gz	VBZPFUUAZHHBPX-UHFFFAOYSA-N	-1	0	338.407	3.092	50	0		EGAARM
C[C@H](CCC(=O)[O-])NC(=O)COC1c2ccccc2-c2ccccc21	ZINC000604220541	460393391	/nfs/dbraw/zinc/39/33/91/460393391.db2.gz	DRFQMLQLUWQXLB-CYBMUJFWSA-N	-1	0	339.391	3.143	50	0		EGAARM
C[C@H](CNC(=O)COC1c2ccccc2-c2ccccc21)CC(=O)[O-]	ZINC000604220538	460393410	/nfs/dbraw/zinc/39/34/10/460393410.db2.gz	BDNGCEMHCIUUQI-ZDUSSCGKSA-N	-1	0	339.391	3.000	50	0		EGAARM
O=C([O-])CCN(Cc1cccnc1)C(=O)C[C@@H]1CCc2ccccc21	ZINC000095499109	527590067	/nfs/dbraw/zinc/59/00/67/527590067.db2.gz	ZUHHVGXGEMFAKE-KRWDZBQOSA-N	-1	0	338.407	3.005	50	0		EGAARM
CCO[C@@H](C)CNc1noc(-c2ccc(F)c(OC)c2)c1C(=O)[O-]	ZINC001704312787	1416439255	/nfs/dbraw/zinc/43/92/55/1416439255.db2.gz	AQZVYGGVEPJOLA-VIFPVBQESA-N	-1	0	338.335	3.024	50	0		EGAARM
Cc1ccccc1[C@@H]1CCCN1C(=O)c1cccc(NCC(=O)[O-])c1	ZINC000055118898	214277008	/nfs/dbraw/zinc/27/70/08/214277008.db2.gz	NGJADFQEABLOBF-SFHVURJKSA-N	-1	0	338.407	3.469	50	0		EGAARM
Cc1ccccc1C(=O)NC(=S)Nc1ccc(Cl)cc1C(=O)[O-]	ZINC000004658896	210239826	/nfs/dbraw/zinc/23/98/26/210239826.db2.gz	OIJZOVMLFDIQLB-UHFFFAOYSA-N	-1	0	348.811	3.473	50	0		EGAARM
CC(C)c1cc(=O)n2nc(SCc3ccccc3Cl)[n-]c2n1	ZINC000100133742	219092692	/nfs/dbraw/zinc/09/26/92/219092692.db2.gz	BCSQJNYMKHVSPD-UHFFFAOYSA-N	-1	0	334.832	3.487	50	0		EGAARM
O=C([O-])c1ccc(CN2C(=O)S[C@@H](Nc3ccccc3)C2=O)cc1	ZINC000004271888	210157242	/nfs/dbraw/zinc/15/72/42/210157242.db2.gz	JSIBCNOPLNWRGP-CQSZACIVSA-N	-1	0	342.376	3.018	50	0		EGAARM
CCCOc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1	ZINC000003765112	210073249	/nfs/dbraw/zinc/07/32/49/210073249.db2.gz	RWSBNVHBOLYIRX-QGZVFWFLSA-N	-1	0	327.380	3.421	50	0		EGAARM
O=C([O-])/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2	ZINC000003226930	209982151	/nfs/dbraw/zinc/98/21/51/209982151.db2.gz	ZOTORXKWXDPWNJ-VQHVLOKHSA-N	-1	0	348.358	3.408	50	0		EGAARM
CC(C)Cc1nnc(SCC(=O)[O-])n1-c1ccccc1Cl	ZINC000067770105	215208328	/nfs/dbraw/zinc/20/83/28/215208328.db2.gz	KZRFJBQLYKFEHB-UHFFFAOYSA-N	-1	0	325.821	3.296	50	0		EGAARM
Cc1cccc(Cn2cc([N-]S(=O)(=O)c3ccc(F)cc3)cn2)c1	ZINC000002804795	209919643	/nfs/dbraw/zinc/91/96/43/209919643.db2.gz	PUVIMKQKSBXFOP-UHFFFAOYSA-N	-1	0	345.399	3.180	50	0		EGAARM
O=C([O-])CCCNC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000002516950	209862196	/nfs/dbraw/zinc/86/21/96/209862196.db2.gz	ACUIFAAXWDLLTR-UHFFFAOYSA-N	-1	0	325.364	3.390	50	0		EGAARM
Cc1nc(-c2ccccc2)sc1C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000040268455	213287209	/nfs/dbraw/zinc/28/72/09/213287209.db2.gz	GOYZEFHUAUDVEX-ZDUSSCGKSA-N	-1	0	330.409	3.055	50	0		EGAARM
Cc1cccc(N2C(=O)S[C@H](Nc3cccc(C(=O)[O-])c3)C2=O)c1	ZINC000001516282	209755891	/nfs/dbraw/zinc/75/58/91/209755891.db2.gz	UBMGGFAYZVZEFJ-AWEZNQCLSA-N	-1	0	342.376	3.331	50	0		EGAARM
COc1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)c(OC)c1	ZINC000000582085	209672811	/nfs/dbraw/zinc/67/28/11/209672811.db2.gz	JOGIFHWLWNVQNR-UHFFFAOYSA-N	-1	0	339.438	3.227	50	0		EGAARM
CCOc1ccc(-n2c(SCC(=O)[O-])nnc2-c2ccco2)cc1	ZINC000036724657	213113529	/nfs/dbraw/zinc/11/35/29/213113529.db2.gz	HACMSFLBDUPRPU-UHFFFAOYSA-N	-1	0	345.380	3.103	50	0		EGAARM
CCOc1ccc2cc(S(=O)(=O)[N-]c3cc(C)ccn3)ccc2c1	ZINC000036638864	213106574	/nfs/dbraw/zinc/10/65/74/213106574.db2.gz	KIQWKQOFWXRPRQ-UHFFFAOYSA-N	-1	0	342.420	3.165	50	0		EGAARM
CCn1c2nc(-c3ccc(C)cc3)cc(C(=O)[O-])c2c(=O)[nH]c1=S	ZINC000036617228	213102448	/nfs/dbraw/zinc/10/24/48/213102448.db2.gz	QUNILTASQRNDKL-UHFFFAOYSA-N	-1	0	341.392	3.148	50	0		EGAARM
O=C([O-])[C@]1(Cc2cccc(Cl)c2)CCCN(c2cnccn2)C1	ZINC000071745448	215801421	/nfs/dbraw/zinc/80/14/21/215801421.db2.gz	OPQJDEZJVHKEKT-KRWDZBQOSA-N	-1	0	331.803	3.044	50	0		EGAARM
O=C([O-])c1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1	ZINC000000311841	295990487	/nfs/dbraw/zinc/99/04/87/295990487.db2.gz	PIIOKJNEAXWWRA-UHFFFAOYSA-N	-1	0	340.360	3.258	50	0		EGAARM
Cc1ccc(C(=O)N2CC[C@H](c3ccccc3C(=O)[O-])C2)cc1F	ZINC000072169237	216060469	/nfs/dbraw/zinc/06/04/69/216060469.db2.gz	NTDJJYIWPIRSFM-AWEZNQCLSA-N	-1	0	327.355	3.462	50	0		EGAARM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCC2)cc1	ZINC000000314722	209531795	/nfs/dbraw/zinc/53/17/95/209531795.db2.gz	ZCLRKFZJCFSPSF-UHFFFAOYSA-N	-1	0	344.436	3.032	50	0		EGAARM
O=C([O-])[C@@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1	ZINC000004809025	304095300	/nfs/dbraw/zinc/09/53/00/304095300.db2.gz	KRSNBCXIVHTAGJ-QAQURRIXSA-N	-1	0	328.412	3.080	50	0		EGAARM
COc1ccc(-c2oc3ccccc3c(=O)c2O[C@H](C)C(=O)[O-])cc1	ZINC000000151199	209454534	/nfs/dbraw/zinc/45/45/34/209454534.db2.gz	QFVVEOVMEWNQHV-LLVKDONJSA-N	-1	0	340.331	3.321	50	0	biogenic,in-vitro	EGAARM
O=C([O-])C1(Oc2cccc(F)c2)CCN(C(=O)[C@H]2CC=CCC2)CC1	ZINC000072421438	216209988	/nfs/dbraw/zinc/20/99/88/216209988.db2.gz	PNFNAJOGPLYIIT-AWEZNQCLSA-N	-1	0	347.386	3.007	50	0		EGAARM
Cc1cccc(OC2(C(=O)[O-])CCN(C(=O)[C@H]3CC=CCC3)CC2)c1	ZINC000072447885	216237397	/nfs/dbraw/zinc/23/73/97/216237397.db2.gz	HLDNMDYDMCDPGB-INIZCTEOSA-N	-1	0	343.423	3.176	50	0		EGAARM
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Br)cc1	ZINC000000233226	304107102	/nfs/dbraw/zinc/10/71/02/304107102.db2.gz	DHUJMLNQJBLMFX-NWDGAFQWSA-N	-1	0	326.190	3.279	50	0		EGAARM
Cc1c(C(=O)[O-])sc2ncnc(NCc3ccc4c(c3)OCO4)c12	ZINC000021715876	212242917	/nfs/dbraw/zinc/24/29/17/212242917.db2.gz	HCNTXHRALYJBTB-UHFFFAOYSA-N	-1	0	343.364	3.039	50	0		EGAARM
C[C@H](NC(=O)CCn1c(-c2ccccc2)cc2ccccc21)C(=O)[O-]	ZINC000020728159	212165410	/nfs/dbraw/zinc/16/54/10/212165410.db2.gz	MXEDGJBHUGAATP-AWEZNQCLSA-N	-1	0	336.391	3.288	50	0		EGAARM
O=C([O-])[C@H]1CCCN1c1ncnc2sc(-c3ccccc3)cc21	ZINC000020318021	212118499	/nfs/dbraw/zinc/11/84/99/212118499.db2.gz	YYBDNFCDZRLPTF-CYBMUJFWSA-N	-1	0	325.393	3.412	50	0		EGAARM
O=C([O-])c1sccc1NC(=O)Cc1ccc(Br)cc1	ZINC000019514938	212034926	/nfs/dbraw/zinc/03/49/26/212034926.db2.gz	RWOCJQKCBJGZJA-UHFFFAOYSA-N	-1	0	340.198	3.390	50	0		EGAARM
CCCC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1	ZINC000014838877	211766603	/nfs/dbraw/zinc/76/66/03/211766603.db2.gz	DAIORVXXNFLUKZ-GJZGRUSLSA-N	-1	0	332.400	3.255	50	0		EGAARM
CCCCNC(=O)c1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1	ZINC000012403803	211369233	/nfs/dbraw/zinc/36/92/33/211369233.db2.gz	LTUBGWQAQCANFE-CVEARBPZSA-N	-1	0	346.427	3.046	50	0		EGAARM
CCCCNC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1	ZINC000012403817	211368679	/nfs/dbraw/zinc/36/86/79/211368679.db2.gz	KERRPESALMNMIU-CVEARBPZSA-N	-1	0	346.427	3.046	50	0		EGAARM
Cc1ccc(N[C@@H]2SC(=O)N(c3ccccc3)C2=O)c(C(=O)[O-])c1	ZINC000011616062	211226990	/nfs/dbraw/zinc/22/69/90/211226990.db2.gz	VVKUAVLZMVSCQA-CQSZACIVSA-N	-1	0	342.376	3.331	50	0		EGAARM
CC(C)c1nc(CN2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)no1	ZINC000095362741	218294976	/nfs/dbraw/zinc/29/49/76/218294976.db2.gz	GMZUTNPTGAMDRJ-OAHLLOKOSA-N	-1	0	329.400	3.271	50	0		EGAARM
CCOc1cc(S(=O)(=O)[N-]c2ncccc2C)ccc1Cl	ZINC000004913635	210320532	/nfs/dbraw/zinc/32/05/32/210320532.db2.gz	BDSLCWIVGGQGJH-UHFFFAOYSA-N	-1	0	326.805	3.243	50	0		EGAARM
O=C([O-])c1ccccc1C(=O)c1cc2c3c(c1O)CCCN3CCC2	ZINC000000518470	304267379	/nfs/dbraw/zinc/26/73/79/304267379.db2.gz	NFHNAALGBZFXIK-UHFFFAOYSA-N	-1	0	337.375	3.020	50	0	biogenic	EGAARM
O=C([O-])[C@H]1CS[C@H](c2ccc(OCc3cccc(F)c3)cc2)N1	ZINC000000031827	258047582	/nfs/dbraw/zinc/04/75/82/258047582.db2.gz	HSDWOBKUUZLTNK-HZPDHXFCSA-N	-1	0	333.384	3.193	50	0		EGAARM
CC(C)Cc1nnc([N-]S(=O)(=O)c2ccc(Cl)cc2)s1	ZINC000000073943	258047111	/nfs/dbraw/zinc/04/71/11/258047111.db2.gz	OPTOQRJCGHEWBK-UHFFFAOYSA-N	-1	0	331.850	3.191	50	0	aggregator	EGAARM
COCc1c(C(=O)[O-])c(=O)cc(C)n1Cc1cccc2ccccc21	ZINC000299772801	258084662	/nfs/dbraw/zinc/08/46/62/258084662.db2.gz	BZCKQEXXJJSLFH-UHFFFAOYSA-N	-1	0	337.375	3.203	50	0		EGAARM
CCOC(=O)c1c(C)[nH]cc1[C@@H](CC(=O)c1ccc(C)cc1)C(=O)[O-]	ZINC000003066341	285959430	/nfs/dbraw/zinc/95/94/30/285959430.db2.gz	BQOUXOOZEGDMRY-CQSZACIVSA-N	-1	0	343.379	3.249	50	0	biogenic	EGAARM
CC(C)C[C@H](C(=O)[O-])N1C(=O)c2ccc3c4c(ccc(c42)C1=O)CC3	ZINC000005294206	279076741	/nfs/dbraw/zinc/07/67/41/279076741.db2.gz	HYDHPVCDGADEKK-OAHLLOKOSA-N	-1	0	337.375	3.034	50	0		EGAARM
COc1ccc2[nH]c3c(c2c1)CCN(C(=O)OC(C)(C)C)[C@H]3C(=O)[O-]	ZINC000040566519	295255669	/nfs/dbraw/zinc/25/56/69/295255669.db2.gz	FHHQCFVVCMNABC-OAHLLOKOSA-N	-1	0	346.383	3.095	50	0		EGAARM
O=C([O-])CCSc1nnc(-c2ccc(Br)cc2)o1	ZINC000008362637	453196548	/nfs/dbraw/zinc/19/65/48/453196548.db2.gz	IYMKAEHFGVOWRH-UHFFFAOYSA-N	-1	0	329.175	3.066	50	0		EGAARM
Cc1c2c(cc(=O)n1CCc1ccccc1)[n-]n(-c1ccccc1)c2=O	ZINC000018244306	301014964	/nfs/dbraw/zinc/01/49/64/301014964.db2.gz	ICYYTFBMNVALJS-UHFFFAOYSA-N	-1	0	345.402	3.032	50	0		EGAARM
Cc1c2ccccc2[nH]c1[C@H]1CC(=O)Nc2cc(O)c(C(=O)[O-])cc21	ZINC000067803116	301018205	/nfs/dbraw/zinc/01/82/05/301018205.db2.gz	BDNMEJPQFWLOEO-LBPRGKRZSA-N	-1	0	336.347	3.354	50	0		EGAARM
Cc1ccc(-n2c(N)c(C(=O)[O-])c3nc4ccccc4nc32)cc1C	ZINC000019891177	301476857	/nfs/dbraw/zinc/47/68/57/301476857.db2.gz	BTEKABGSOVIKAE-UHFFFAOYSA-N	-1	0	332.363	3.471	50	0		EGAARM
Cc1nc(-c2nnc(SCC(=O)[O-])n2[C@H](C)c2ccccc2)co1	ZINC000067757620	302539061	/nfs/dbraw/zinc/53/90/61/302539061.db2.gz	RMYWAFRDSGENDZ-SNVBAGLBSA-N	-1	0	344.396	3.028	50	0		EGAARM
Nc1c(Br)cc(Br)c([O-])c1Br	ZINC000001605503	303491152	/nfs/dbraw/zinc/49/11/52/303491152.db2.gz	SJWCHTASGVKLLS-UHFFFAOYSA-N	-1	0	345.816	3.262	50	0		EGAARM
COc1ccc([C@H]2SCC(=O)N2c2cccc(C(=O)[O-])c2)cc1	ZINC000000076076	452499983	/nfs/dbraw/zinc/49/99/83/452499983.db2.gz	RZXLXYBJMSQEIF-MRXNPFEDSA-N	-1	0	329.377	3.172	50	0		EGAARM
COc1cccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)c1	ZINC000000109812	452510410	/nfs/dbraw/zinc/51/04/10/452510410.db2.gz	FZNQSVNMZZJDHX-OAHLLOKOSA-N	-1	0	333.771	3.294	50	0	biogenic	EGAARM
Cc1ccc(Oc2ncccc2C(=O)NC(=O)c2ccccc2O)cc1	ZINC000000157018	452524857	/nfs/dbraw/zinc/52/48/57/452524857.db2.gz	CXPQGIPRANGQFN-UHFFFAOYSA-N	-1	0	348.358	3.458	50	0		EGAARM
O=C([O-])c1cccc(NC(=S)NC(=O)c2cccc(Cl)c2)c1	ZINC000000308579	452558035	/nfs/dbraw/zinc/55/80/35/452558035.db2.gz	FSRHFAVODNDGPS-UHFFFAOYSA-N	-1	0	334.784	3.165	50	0		EGAARM
CCOC(=O)c1oc2cc([O-])ccc2c(=O)c1-c1ccccc1OC	ZINC000000313893	452562575	/nfs/dbraw/zinc/56/25/75/452562575.db2.gz	RQGFJUMWWJJAQZ-UHFFFAOYSA-N	-1	0	340.331	3.351	50	0	biogenic	EGAARM
O=C([O-])CCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1F	ZINC000000367421	452572732	/nfs/dbraw/zinc/57/27/32/452572732.db2.gz	CWEXMMOMWMPVAB-AWEZNQCLSA-N	-1	0	346.383	3.430	50	0		EGAARM
O=C([O-])c1nc(SCC(=O)Nc2ccccc2)nc2ccccc21	ZINC000000390676	452579556	/nfs/dbraw/zinc/57/95/56/452579556.db2.gz	AKQRFRCOOUXMLN-UHFFFAOYSA-N	-1	0	339.376	3.059	50	0		EGAARM
CCCc1cc2c(cc1OCC(=O)[O-])occ(-c1ccccn1)c2=O	ZINC000000518605	452611906	/nfs/dbraw/zinc/61/19/06/452611906.db2.gz	MUCDROCSQGQNHJ-UHFFFAOYSA-N	-1	0	339.347	3.271	50	0	biogenic	EGAARM
Cc1cccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CCC4)c1	ZINC000001261138	452651176	/nfs/dbraw/zinc/65/11/76/452651176.db2.gz	IVXSNXYTNJUCIG-UHFFFAOYSA-N	-1	0	334.375	3.214	50	0		EGAARM
Cc1ccc(N2C(=O)S[C@H](Nc3ccccc3C(=O)[O-])C2=O)cc1	ZINC000001318011	452652680	/nfs/dbraw/zinc/65/26/80/452652680.db2.gz	IUQWQGMDGJJEPA-AWEZNQCLSA-N	-1	0	342.376	3.331	50	0		EGAARM
COc1ccc([P@](=O)([O-])N2CCCC[C@@H]2c2cccnc2)cc1	ZINC000002111137	452685102	/nfs/dbraw/zinc/68/51/02/452685102.db2.gz	FSFLRRUUVLFUGK-QGZVFWFLSA-N	-1	0	332.340	3.128	50	0	biogenic	EGAARM
CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000006482886	452946272	/nfs/dbraw/zinc/94/62/72/452946272.db2.gz	KGXITEJADYFVHK-UHFFFAOYSA-N	-1	0	338.454	3.031	50	0		EGAARM
O=C([O-])c1ccc(NC(=O)c2ccc(Br)cc2)cc1O	ZINC000006701498	452971546	/nfs/dbraw/zinc/97/15/46/452971546.db2.gz	ONPOCGSSCOKNJP-UHFFFAOYSA-N	-1	0	336.141	3.105	50	0		EGAARM
CCCOc1ccccc1C(=O)N[C@H](CC(=O)[O-])c1ccccc1	ZINC000015658651	453580734	/nfs/dbraw/zinc/58/07/34/453580734.db2.gz	GVEILALAFUIJKL-MRXNPFEDSA-N	-1	0	327.380	3.421	50	0		EGAARM
Cc1ccc(C)c(S(=O)(=O)[N-]c2nnc(CC(C)C)s2)c1	ZINC000016606894	453615520	/nfs/dbraw/zinc/61/55/20/453615520.db2.gz	HLYKLIXBUMCLHP-UHFFFAOYSA-N	-1	0	325.459	3.154	50	0		EGAARM
COc1ccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])c(OC)c1	ZINC000017068560	453628259	/nfs/dbraw/zinc/62/82/59/453628259.db2.gz	HADMDGXVCQDGGK-KGLIPLIRSA-N	-1	0	333.384	3.090	50	0		EGAARM
Cc1ccc(-n2nc(-c3ccc4c(c3)OCCO4)cc2C(=O)[O-])cc1	ZINC000025763057	453785060	/nfs/dbraw/zinc/78/50/60/453785060.db2.gz	PWFPLNOWBSJHBN-UHFFFAOYSA-N	-1	0	336.347	3.317	50	0		EGAARM
CCOc1cc(S(=O)(=O)[N-]c2ccccc2O)ccc1Cl	ZINC000032601984	453878959	/nfs/dbraw/zinc/87/89/59/453878959.db2.gz	XWENOTSBRQLKAB-UHFFFAOYSA-N	-1	0	327.789	3.245	50	0		EGAARM
CC(C)c1nnnn1-c1cc(C(=O)[O-])cc(-c2ccccc2F)c1	ZINC000077024686	454061581	/nfs/dbraw/zinc/06/15/81/454061581.db2.gz	OVAUJVKCTKBWRO-UHFFFAOYSA-N	-1	0	326.331	3.290	50	0		EGAARM
O=C([O-])c1nnn(Cc2cccc(C(F)(F)F)c2)c1-c1ccncc1	ZINC000070457024	454169701	/nfs/dbraw/zinc/16/97/01/454169701.db2.gz	YNWWLAIJNKVOPU-UHFFFAOYSA-N	-1	0	348.284	3.105	50	0		EGAARM
O=C([O-])[C@H](Sc1nc(C(F)(F)F)cc(=O)[nH]1)c1ccccc1	ZINC000096306366	454317910	/nfs/dbraw/zinc/31/79/10/454317910.db2.gz	AMYGLRWXUQANHO-SNVBAGLBSA-N	-1	0	330.287	3.119	50	0		EGAARM
O=C([O-])C1(NC(=O)C[C@H](c2ccco2)c2ccccc2)CCCC1	ZINC000252504536	455816566	/nfs/dbraw/zinc/81/65/66/455816566.db2.gz	VJXRXRGIAMVVCF-HNNXBMFYSA-N	-1	0	327.380	3.315	50	0		EGAARM
O=C([O-])c1ccc(CNC(=O)c2ccc3cccc(Cl)c3n2)o1	ZINC000426740652	457889320	/nfs/dbraw/zinc/88/93/20/457889320.db2.gz	XGDZTBRUFAFXOX-UHFFFAOYSA-N	-1	0	330.727	3.109	50	0		EGAARM
CCO[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1	ZINC000585134495	459828338	/nfs/dbraw/zinc/82/83/38/459828338.db2.gz	WKWINQHRGLUONO-CYBMUJFWSA-N	-1	0	343.379	3.327	50	0		EGAARM
O=S(=O)([N-]Cc1ccc(-c2ccoc2)o1)c1c(F)cccc1F	ZINC000575609469	459980810	/nfs/dbraw/zinc/98/08/10/459980810.db2.gz	BZVXZOZDLUQMAK-UHFFFAOYSA-N	-1	0	339.319	3.296	50	0		EGAARM
CCOc1cc(S(=O)(=O)[N-]c2cccc(C)n2)ccc1Cl	ZINC000036638917	472002948	/nfs/dbraw/zinc/00/29/48/472002948.db2.gz	ICHQADXZDPVMGI-UHFFFAOYSA-N	-1	0	326.805	3.243	50	0		EGAARM
CCCn1c(=O)c(C(=O)Nc2cccc(O)c2)c([O-])c2ccccc21	ZINC000006493399	1291045705	/nfs/dbraw/zinc/04/57/05/1291045705.db2.gz	WUVJXHCEOAQPCH-UHFFFAOYSA-N	-1	0	338.363	3.075	50	0		EGAARM
Cc1cc(NC[C@@H](CO)Cc2ccco2)nc(-c2ccccc2[O-])n1	ZINC001704338938	1416448911	/nfs/dbraw/zinc/44/89/11/1416448911.db2.gz	LDGUSHLYBKFWNQ-AWEZNQCLSA-N	-1	0	339.395	3.014	50	0		EGAARM
Cc1cccc(C[C@H](C(=O)Nc2ccc(C)cc2C)c2nnn[n-]2)c1	ZINC000004169534	1424216138	/nfs/dbraw/zinc/21/61/38/1424216138.db2.gz	PORWTMVFIHEECL-INIZCTEOSA-N	-1	0	335.411	3.090	50	0		EGAARM
O=C([O-])Cn1nc(C2CC2)nc1-c1ccc(-c2cccc(F)c2)nc1	ZINC000097694829	219048813	/nfs/dbraw/zinc/04/88/13/219048813.db2.gz	QVDNTKLRXIWMQA-UHFFFAOYSA-N	-1	0	338.342	3.108	50	0		EGAARM
COc1cccc(OCC(=O)Nc2cc(Cl)ccc2C(=O)[O-])c1	ZINC000004675188	210242685	/nfs/dbraw/zinc/24/26/85/210242685.db2.gz	CHFNUHZRTFQUEE-UHFFFAOYSA-N	-1	0	335.743	3.064	50	0		EGAARM
COc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc1	ZINC000004653993	210238338	/nfs/dbraw/zinc/23/83/38/210238338.db2.gz	DIGXYAOMVUWFKX-OAHLLOKOSA-N	-1	0	333.771	3.294	50	0	biogenic	EGAARM
CCCn1c(=O)c(C(=O)Nc2ccccc2O)c([O-])c2ccccc21	ZINC000100463766	219099844	/nfs/dbraw/zinc/09/98/44/219099844.db2.gz	WYNDCGGLRHHYJM-UHFFFAOYSA-N	-1	0	338.363	3.075	50	0		EGAARM
COc1ccc(-c2c(C)[n-]n3c2nc2c(c3=O)CCCC2)cc1OC	ZINC000102705483	219223748	/nfs/dbraw/zinc/22/37/48/219223748.db2.gz	MEQVGNCBEFUOQG-UHFFFAOYSA-N	-1	0	339.395	3.306	50	0		EGAARM
Cc1ccc(-c2noc(-c3ccc(SCC(=O)[O-])nc3)n2)cc1	ZINC000067172458	215120555	/nfs/dbraw/zinc/12/05/55/215120555.db2.gz	FGYVXERURUULGK-UHFFFAOYSA-N	-1	0	327.365	3.284	50	0		EGAARM
O=C([O-])Cc1cc(F)c(Br)c(F)c1Br	ZINC000263624906	304088611	/nfs/dbraw/zinc/08/86/11/304088611.db2.gz	VCCZMZVXRGNKDJ-UHFFFAOYSA-N	-1	0	329.922	3.117	50	0		EGAARM
COc1cc(NC(=O)c2ccccc2C(=O)[O-])c(OC)cc1Cl	ZINC000000231919	209496486	/nfs/dbraw/zinc/49/64/86/209496486.db2.gz	FPECEUKBQBMQAU-UHFFFAOYSA-N	-1	0	335.743	3.308	50	0		EGAARM
O=C([O-])[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)N1CCOCC1	ZINC000012390637	304096863	/nfs/dbraw/zinc/09/68/63/304096863.db2.gz	RFWVQBPEAIWYOG-LJQANCHMSA-N	-1	0	336.391	3.293	50	0		EGAARM
CCc1nc2sc([C@H](c3ccccc3F)N3CCCC3)c([O-])n2n1	ZINC000022852950	212329668	/nfs/dbraw/zinc/32/96/68/212329668.db2.gz	FFSCVHSNRRJNMF-AWEZNQCLSA-N	-1	0	346.431	3.383	50	0		EGAARM
COc1ccc(C=Cc2nc(NC#N)nc(-c3ccccc3[O-])n2)cc1	ZINC000021581105	212233632	/nfs/dbraw/zinc/23/36/32/212233632.db2.gz	CHORVESFECUTGV-DHZHZOJOSA-N	-1	0	345.362	3.316	50	0		EGAARM
CC[C@H](C)NC(=O)c1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1	ZINC000012403828	211369671	/nfs/dbraw/zinc/36/96/71/211369671.db2.gz	KJLJHAIVPDONBX-MAZHCROVSA-N	-1	0	346.427	3.044	50	0		EGAARM
CCn1ncc2c1nc(-c1ccc(OC(F)F)cc1)cc2C(=O)[O-]	ZINC000012396197	211368231	/nfs/dbraw/zinc/36/82/31/211368231.db2.gz	IHFZVCMPXMNMIO-UHFFFAOYSA-N	-1	0	333.294	3.418	50	0		EGAARM
Cc1csc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1	ZINC000010342346	211166929	/nfs/dbraw/zinc/16/69/29/211166929.db2.gz	IIFJHDDTEQLNMC-UHFFFAOYSA-N	-1	0	338.332	3.151	50	0		EGAARM
CCc1cc(C(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)ccn1	ZINC000095354111	218287732	/nfs/dbraw/zinc/28/77/32/218287732.db2.gz	HPMINPGZHWDICE-QGZVFWFLSA-N	-1	0	338.407	3.362	50	0		EGAARM
Cc1cc(C(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)c(C)n1C	ZINC000095373127	218304894	/nfs/dbraw/zinc/30/48/94/218304894.db2.gz	YDORAUGDUNODTD-KRWDZBQOSA-N	-1	0	340.423	3.360	50	0		EGAARM
Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(NC(=O)C2CC2)cc1	ZINC000008908357	211017473	/nfs/dbraw/zinc/01/74/73/211017473.db2.gz	YUEPIGXEYZEXEU-UHFFFAOYSA-N	-1	0	338.363	3.294	50	0		EGAARM
O=C([O-])c1ccc(CNC(=O)c2ccc3cccc(F)c3n2)s1	ZINC000095500237	218414977	/nfs/dbraw/zinc/41/49/77/218414977.db2.gz	ZYHXTIBEIPZJBH-UHFFFAOYSA-N	-1	0	330.340	3.064	50	0		EGAARM
O=C([O-])c1ccc(C=C2NC(=S)N(c3ccc(F)cc3)C2=O)cc1	ZINC000036395134	304231749	/nfs/dbraw/zinc/23/17/49/304231749.db2.gz	JXKGAPJLRGRWDS-ZROIWOOFSA-N	-1	0	342.351	3.197	50	0		EGAARM
O=C([O-])c1ccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@@H]3C2=O)cc1	ZINC000226384952	304246140	/nfs/dbraw/zinc/24/61/40/304246140.db2.gz	UJAJOWHSJQVELS-JQHSSLGASA-N	-1	0	349.386	3.458	50	0		EGAARM
O=C1CCCCN1c1cccc([N-]S(=O)(=O)c2ccccc2F)c1	ZINC000005330031	210441230	/nfs/dbraw/zinc/44/12/30/210441230.db2.gz	UMDVPPUYQCQPKG-UHFFFAOYSA-N	-1	0	348.399	3.143	50	0		EGAARM
O=C([O-])C[C@H](NCc1ccco1)C(=O)Nc1ccc2ccccc2c1	ZINC000004978335	210347116	/nfs/dbraw/zinc/34/71/16/210347116.db2.gz	DHWSGDNAYWAWOV-KRWDZBQOSA-N	-1	0	338.363	3.004	50	0		EGAARM
CCC[C@@H](CC(=O)[O-])NC(=O)N(C)Cc1cccc(C(F)(F)F)c1	ZINC000426726715	257957069	/nfs/dbraw/zinc/95/70/69/257957069.db2.gz	GLDBLNRTLOPKTL-ZDUSSCGKSA-N	-1	0	346.349	3.490	50	0		EGAARM
CCC(=O)Nc1cc2nc(Cc3ccccc3)n(C)c2c(C(=O)[O-])c1	ZINC000299759553	258076615	/nfs/dbraw/zinc/07/66/15/258076615.db2.gz	UNIBXBHIVVSYNM-UHFFFAOYSA-N	-1	0	337.379	3.211	50	0		EGAARM
O=C([O-])c1nn(C23CC4CC(CC(C4)C2)C3)cc1Br	ZINC000045358588	304284981	/nfs/dbraw/zinc/28/49/81/304284981.db2.gz	DDTFERJVOWDYAP-UHFFFAOYSA-N	-1	0	325.206	3.269	50	0		EGAARM
CC(C)(C)OC(=O)N1CCC2(CNc3ccc(C(=O)[O-])cc32)CC1	ZINC000051943343	278384347	/nfs/dbraw/zinc/38/43/47/278384347.db2.gz	GKEIXWRMVGDCSD-UHFFFAOYSA-N	-1	0	332.400	3.079	50	0		EGAARM
CC(C)(C)OC(=O)N1CCC[C@@](Cc2ccc(F)cc2)(C(=O)[O-])C1	ZINC000015446113	278392119	/nfs/dbraw/zinc/39/21/19/278392119.db2.gz	PIGMVBMBZVCFHU-SFHVURJKSA-N	-1	0	337.391	3.470	50	0		EGAARM
CC(C)c1noc([C@@H]2CCCCN2Cc2ncccc2C(=O)[O-])n1	ZINC000065373331	280735422	/nfs/dbraw/zinc/73/54/22/280735422.db2.gz	GKBWHTYDWXTCDE-AWEZNQCLSA-N	-1	0	330.388	3.013	50	0		EGAARM
O=S1(=O)C=C([O-])c2ccc(Cl)cc2N1Cc1ccccc1F	ZINC000012415068	304643009	/nfs/dbraw/zinc/64/30/09/304643009.db2.gz	UOCAHMPBOKTAJR-UHFFFAOYSA-N	-1	0	339.775	3.012	50	0		EGAARM
Cc1ccc([C@H](CC(=O)[O-])n2c(-c3ccncc3)n[nH]c2=S)cc1	ZINC000006054028	301790190	/nfs/dbraw/zinc/79/01/90/301790190.db2.gz	AZTPHVZOMDPAHG-AWEZNQCLSA-N	-1	0	340.408	3.375	50	0		EGAARM
O=C([O-])c1ccc(CNC(=O)C2(c3ccccc3)CCCCC2)o1	ZINC000244795484	455277055	/nfs/dbraw/zinc/27/70/55/455277055.db2.gz	RHFHBCRMADVBCZ-UHFFFAOYSA-N	-1	0	327.380	3.496	50	0		EGAARM
COc1ccc([C@@H](CC(=O)[O-])c2ccc3c(c2)OCCO3)cc1OC	ZINC000000106357	452508192	/nfs/dbraw/zinc/50/81/92/452508192.db2.gz	KNCDODACLPRHBY-CQSZACIVSA-N	-1	0	344.363	3.082	50	0		EGAARM
CCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(C)c2)cc1	ZINC000000106275	452508751	/nfs/dbraw/zinc/50/87/51/452508751.db2.gz	XFKCFHFRGANTPL-KRWDZBQOSA-N	-1	0	327.380	3.340	50	0		EGAARM
O=C([O-])c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1	ZINC000000244570	452545916	/nfs/dbraw/zinc/54/59/16/452545916.db2.gz	NHYURXHIYONRCY-UHFFFAOYSA-N	-1	0	346.191	3.492	50	0		EGAARM
Cc1ccc(-c2nnc(SCC(=O)[O-])n2-c2ccccc2)cc1	ZINC000000319863	452563915	/nfs/dbraw/zinc/56/39/15/452563915.db2.gz	ZYLNQEZPUFVDRJ-UHFFFAOYSA-N	-1	0	325.393	3.419	50	0		EGAARM
Cc1oc(C(C)(C)C)cc1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000000330904	452564118	/nfs/dbraw/zinc/56/41/18/452564118.db2.gz	MCSWOHOPDTWQCL-OAHLLOKOSA-N	-1	0	329.396	3.311	50	0		EGAARM
COc1cc2cccnc2c([N-]S(=O)(=O)c2ccc(C)cc2)c1	ZINC000000338359	452566840	/nfs/dbraw/zinc/56/68/40/452566840.db2.gz	HKRNYOZJJMFDBV-UHFFFAOYSA-N	-1	0	328.393	3.353	50	0		EGAARM
Cc1cc(Br)ccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000000398710	452579175	/nfs/dbraw/zinc/57/91/75/452579175.db2.gz	GWFKHFDHMIPHDJ-VXGBXAGGSA-N	-1	0	338.201	3.363	50	0		EGAARM
O=C([O-])[C@@H]1CC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1	ZINC000000800637	452635661	/nfs/dbraw/zinc/63/56/61/452635661.db2.gz	JDYYPZBKFSPQOC-CYBMUJFWSA-N	-1	0	345.782	3.357	50	0		EGAARM
O=C([O-])CN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O	ZINC000001799940	452679156	/nfs/dbraw/zinc/67/91/56/452679156.db2.gz	AZIOJYAXINTIGF-YCRREMRBSA-N	-1	0	332.164	3.114	50	0		EGAARM
O=C([O-])c1cccc(NC(=O)CSc2nncc3ccccc32)c1	ZINC000002197335	452687088	/nfs/dbraw/zinc/68/70/88/452687088.db2.gz	IKIQGPZJENSQJF-UHFFFAOYSA-N	-1	0	339.376	3.059	50	0		EGAARM
Cn1c(C(=O)[O-])cnc1Sc1ncc(C(F)(F)F)cc1Cl	ZINC000002561474	452704786	/nfs/dbraw/zinc/70/47/86/452704786.db2.gz	MIUTZOZOHMUQRX-UHFFFAOYSA-N	-1	0	337.710	3.337	50	0		EGAARM
O=C([O-])c1cc(Nc2nc(-c3ccc(O)cc3O)cs2)ccc1O	ZINC000002814345	452728173	/nfs/dbraw/zinc/72/81/73/452728173.db2.gz	MPAYVGVGFSEMRH-UHFFFAOYSA-N	-1	0	344.348	3.369	50	0		EGAARM
Cc1cccc(C[C@H](C(=O)Nc2ccc(C)c(C)c2)c2nnn[n-]2)c1	ZINC000006556965	452954998	/nfs/dbraw/zinc/95/49/98/452954998.db2.gz	XUHOCWDJZCGHOB-KRWDZBQOSA-N	-1	0	335.411	3.090	50	0		EGAARM
Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CCC(=O)[O-])o1	ZINC000007986618	453144562	/nfs/dbraw/zinc/14/45/62/453144562.db2.gz	VPJOPLCINMSKRI-GFCCVEGCSA-N	-1	0	332.381	3.192	50	0		EGAARM
Cc1ccc(N2C(=O)C[C@@H](Sc3ccccc3C(=O)[O-])C2=O)cc1	ZINC000019733180	453658281	/nfs/dbraw/zinc/65/82/81/453658281.db2.gz	CPZZDLSITZBBJF-OAHLLOKOSA-N	-1	0	341.388	3.117	50	0		EGAARM
Cc1ccc(NCCCn2ccnc2-c2ccccc2C(=O)[O-])nc1	ZINC000077303728	454087677	/nfs/dbraw/zinc/08/76/77/454087677.db2.gz	HJJITEJKFOEEJM-UHFFFAOYSA-N	-1	0	336.395	3.454	50	0		EGAARM
O=C(CSc1nc(=O)c2sccc2[n-]1)NCCC1=CCCCC1	ZINC000057477633	454131919	/nfs/dbraw/zinc/13/19/19/454131919.db2.gz	BZAVDOUCJSGXJV-UHFFFAOYSA-N	-1	0	349.481	3.496	50	0		EGAARM
CC(C)c1nc(N2CCC[C@@](Cc3ccccc3F)(C(=O)[O-])C2)no1	ZINC000071419203	454207072	/nfs/dbraw/zinc/20/70/72/454207072.db2.gz	CBFMUAXMWXYOET-SFHVURJKSA-N	-1	0	347.390	3.246	50	0		EGAARM
O=c1cc(C2Cc3ccccc3C2)nc2[n-]c(C3CCCCC3)nn21	ZINC000102610426	454511130	/nfs/dbraw/zinc/51/11/30/454511130.db2.gz	PZBUUHCZBCDBHL-UHFFFAOYSA-N	-1	0	334.423	3.348	50	0		EGAARM
c1ccc2c(CN=c3nc(C4CCOCC4)[n-]s3)nsc2c1	ZINC000585132686	459827682	/nfs/dbraw/zinc/82/76/82/459827682.db2.gz	MCXXQSNLTKSPEI-UHFFFAOYSA-N	-1	0	332.454	3.076	50	0		EGAARM
CC(C)(C)OC(=O)N[C@@](C)(C(=O)[O-])c1cccc(Br)c1	ZINC000069550069	599886490	/nfs/dbraw/zinc/88/64/90/599886490.db2.gz	PZJYPIJGLYNHNY-CQSZACIVSA-N	-1	0	344.205	3.274	50	0		EGAARM
O=C([O-])C1(Oc2ccc(F)cc2)CCN(C(=O)c2cccs2)CC1	ZINC000072454573	1292276249	/nfs/dbraw/zinc/27/62/49/1292276249.db2.gz	BYHCPIIZGANBTI-UHFFFAOYSA-N	-1	0	349.383	3.026	50	0		EGAARM
Cc1ccsc1-c1c(-c2ccccc2)ncn1CCc1nnn[n-]1	ZINC000067885452	1424843818	/nfs/dbraw/zinc/84/38/18/1424843818.db2.gz	IHPAMLXUEUZRJI-UHFFFAOYSA-N	-1	0	336.424	3.343	50	0		EGAARM
CC(C)(C)n1ncc2c1NC(=O)CS[C@@H]2c1ccc(C(=O)[O-])cc1	ZINC000049548956	214017990	/nfs/dbraw/zinc/01/79/90/214017990.db2.gz	HEJZJYLLWACIIW-CQSZACIVSA-N	-1	0	345.424	3.111	50	0		EGAARM
CCn1c2ccccc2c([O-])c(C(=O)N[C@@H](C)c2ccccc2)c1=O	ZINC000100505456	219101250	/nfs/dbraw/zinc/10/12/50/219101250.db2.gz	JUWPTXQKARMRSA-ZDUSSCGKSA-N	-1	0	336.391	3.218	50	0		EGAARM
Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)cc1	ZINC000101260787	219119432	/nfs/dbraw/zinc/11/94/32/219119432.db2.gz	XEJIEUJYFDJMAJ-DLBZAZTESA-N	-1	0	334.379	3.110	50	0		EGAARM
CCCN(CCc1ccccc1)C(=O)c1ccccc1NCC(=O)[O-]	ZINC000065506887	214938322	/nfs/dbraw/zinc/93/83/22/214938322.db2.gz	GSOBFQUPLAXAPL-UHFFFAOYSA-N	-1	0	340.423	3.278	50	0		EGAARM
O=C([O-])c1ccc(NS(=O)(=O)c2cccc3ccccc32)cc1O	ZINC000004062686	210111989	/nfs/dbraw/zinc/11/19/89/210111989.db2.gz	FQCDAJQMTHYPRN-UHFFFAOYSA-N	-1	0	343.360	3.044	50	0		EGAARM
CC(C)(C)OC(=O)N[C@H](CCSCc1ccccc1)C(=O)[O-]	ZINC000002569784	209868013	/nfs/dbraw/zinc/86/80/13/209868013.db2.gz	ACZRILZGPVJXKH-CYBMUJFWSA-N	-1	0	325.430	3.288	50	0		EGAARM
O=C([N-]c1nnc(C2CC2)s1)c1c(F)c(F)c(F)c(F)c1F	ZINC000012343462	304020581	/nfs/dbraw/zinc/02/05/81/304020581.db2.gz	GILQBUSOLMPVAX-UHFFFAOYSA-N	-1	0	335.257	3.363	50	0		EGAARM
Cc1nc(-c2ccccc2F)sc1C(=O)N1CCC(C(=O)[O-])CC1	ZINC000040266602	213286322	/nfs/dbraw/zinc/28/63/22/213286322.db2.gz	PLRCKQRHOJASQT-UHFFFAOYSA-N	-1	0	348.399	3.194	50	0		EGAARM
CCOC(=O)c1cnc([N-]c2nc(C)c3ccc(C)cc3n2)nc1C	ZINC000000541565	209656949	/nfs/dbraw/zinc/65/69/49/209656949.db2.gz	XSIIPXGWZJIDGV-UHFFFAOYSA-N	-1	0	337.383	3.265	50	0		EGAARM
Cc1c(NC(=O)C2CC2)cccc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000036567637	213100183	/nfs/dbraw/zinc/10/01/83/213100183.db2.gz	GUKQZJKMDIRQPF-KBPBESRZSA-N	-1	0	344.411	3.173	50	0		EGAARM
O=C([O-])c1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc32)nc1	ZINC000072164007	216053385	/nfs/dbraw/zinc/05/33/85/216053385.db2.gz	HVPRRQMHCGNLLW-UHFFFAOYSA-N	-1	0	345.362	3.330	50	0		EGAARM
O=C([O-])Cc1cc(Br)c(F)c(F)c1Br	ZINC000263623655	304088218	/nfs/dbraw/zinc/08/82/18/304088218.db2.gz	JJQWGENIJZJNGM-UHFFFAOYSA-N	-1	0	329.922	3.117	50	0		EGAARM
CCOC(=O)c1c(C)oc2cc(Br)c([O-])c(C=O)c21	ZINC000000067134	209398255	/nfs/dbraw/zinc/39/82/55/209398255.db2.gz	DEWAXLBVKWQCKV-UHFFFAOYSA-N	-1	0	327.130	3.199	50	0		EGAARM
O=C([O-])[C@@H]1c2[nH]cnc2CCN1Cc1ccc(-c2ccccc2)s1	ZINC000072440580	216235689	/nfs/dbraw/zinc/23/56/89/216235689.db2.gz	UYBSMCNLSMFSQS-KRWDZBQOSA-N	-1	0	339.420	3.322	50	0		EGAARM
Cc1c(C(=O)[O-])sc2ncnc(Nc3ccc4c(c3)OCCO4)c12	ZINC000021715856	212243288	/nfs/dbraw/zinc/24/32/88/212243288.db2.gz	UIBSSFHDQMCGTF-UHFFFAOYSA-N	-1	0	343.364	3.213	50	0		EGAARM
O=C([O-])c1ccc(C(=O)N2CCC(Oc3ccccc3)CC2)s1	ZINC000237987897	242885636	/nfs/dbraw/zinc/88/56/36/242885636.db2.gz	ITAOPHWURXHDGW-UHFFFAOYSA-N	-1	0	331.393	3.130	50	0		EGAARM
Cn1ncc(C(=O)[O-])c1C(=O)Nc1ccccc1Oc1ccccc1	ZINC000020614688	212154653	/nfs/dbraw/zinc/15/46/53/212154653.db2.gz	DPINAHWDZSCOGW-UHFFFAOYSA-N	-1	0	337.335	3.163	50	0		EGAARM
O=S1(=O)[N-]C(SCc2cccc(F)c2)=Nc2ccc(F)cc21	ZINC000012361103	211355993	/nfs/dbraw/zinc/35/59/93/211355993.db2.gz	YWBLXUQZYFLPLK-UHFFFAOYSA-N	-1	0	340.376	3.368	50	0		EGAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2ccccc2o1	ZINC000011866894	211261482	/nfs/dbraw/zinc/26/14/82/211261482.db2.gz	HXQIEAOUNVXAQY-INIZCTEOSA-N	-1	0	348.358	3.340	50	0		EGAARM
CCC[C@]1(C(=O)[O-])CCCN(C(=O)c2c(F)cc(OC)cc2F)C1	ZINC000091547779	218020755	/nfs/dbraw/zinc/02/07/55/218020755.db2.gz	KXKATGNDUFCBRZ-KRWDZBQOSA-N	-1	0	341.354	3.081	50	0		EGAARM
COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2OC)cc1Cl	ZINC000010302019	211160862	/nfs/dbraw/zinc/16/08/62/211160862.db2.gz	YSEHSTKDZZUHPM-UHFFFAOYSA-N	-1	0	345.779	3.297	50	0		EGAARM
CCCc1cc(=O)n2[n-]c(COC)c(-c3ccc(Cl)cc3)c2n1	ZINC000009261155	211059076	/nfs/dbraw/zinc/05/90/76/211059076.db2.gz	WNLCUVWYFSTDGW-UHFFFAOYSA-N	-1	0	331.803	3.442	50	0		EGAARM
CCN(Cc1ccc(C(=O)[O-])cc1)C(=O)CCc1scnc1C	ZINC000095382086	218314680	/nfs/dbraw/zinc/31/46/80/218314680.db2.gz	OXLJEZSQBCWODD-UHFFFAOYSA-N	-1	0	332.425	3.131	50	0		EGAARM
Cc1nn(C)cc1-c1cc(C(=O)[O-])c2ccc(Br)cc2n1	ZINC000006825222	210723608	/nfs/dbraw/zinc/72/36/08/210723608.db2.gz	NQZLCSHRJGZVNA-UHFFFAOYSA-N	-1	0	346.184	3.404	50	0		EGAARM
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C(C)=O)c1	ZINC000004809447	210281175	/nfs/dbraw/zinc/28/11/75/210281175.db2.gz	YNMFRSAFUDPORF-UHFFFAOYSA-N	-1	0	339.800	3.352	50	0		EGAARM
COc1cc(C(=O)[O-])cc(C(=O)N2CCc3ccc(F)cc3[C@@H]2C)c1	ZINC000097532193	219034198	/nfs/dbraw/zinc/03/41/98/219034198.db2.gz	WKWPKJDFDKRXSD-NSHDSACASA-N	-1	0	343.354	3.292	50	0		EGAARM
O=C([O-])c1ccc(CNC(=O)C2(c3ccc(Cl)cc3)CCC2)o1	ZINC000426489827	257966807	/nfs/dbraw/zinc/96/68/07/257966807.db2.gz	YVENPORIYVIOKA-UHFFFAOYSA-N	-1	0	333.771	3.369	50	0		EGAARM
CC(C)(C)OC(=O)N1CCC(n2cnc3cc(C(=O)[O-])ccc32)CC1	ZINC000044135682	277181546	/nfs/dbraw/zinc/18/15/46/277181546.db2.gz	KHGZVCGGWBBXTM-UHFFFAOYSA-N	-1	0	345.399	3.307	50	0		EGAARM
CC1(C)O[C@@H](C(=O)[O-])[C@H](c2ccccc2)N1C(=O)c1ccccc1	ZINC000021982888	281417324	/nfs/dbraw/zinc/41/73/24/281417324.db2.gz	AQOXAQNPPJHPAD-JKSUJKDBSA-N	-1	0	325.364	3.090	50	0		EGAARM
COc1ccc(C[C@@H](C(=O)[O-])[C@@H](C)C(=O)Nc2ccccc2)cc1	ZINC000071405929	295135596	/nfs/dbraw/zinc/13/55/96/295135596.db2.gz	VYOUWCFUUPZHJQ-CXAGYDPISA-N	-1	0	327.380	3.213	50	0		EGAARM
O=C(c1ccccc1)c1ccc2c(c1[O-])[C@H](c1ccncc1)CC(=O)O2	ZINC000253397708	304564065	/nfs/dbraw/zinc/56/40/65/304564065.db2.gz	BOZCUXKGLAQXTP-INIZCTEOSA-N	-1	0	345.354	3.459	50	0	biogenic	EGAARM
Cc1cc(Br)ccc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000000398709	301071283	/nfs/dbraw/zinc/07/12/83/301071283.db2.gz	GWFKHFDHMIPHDJ-NWDGAFQWSA-N	-1	0	338.201	3.363	50	0		EGAARM
O=C([O-])c1cccc(-n2nnnc2SCc2ccccc2Cl)c1	ZINC000000107848	452507627	/nfs/dbraw/zinc/50/76/27/452507627.db2.gz	JEMZGUAXODUYCV-UHFFFAOYSA-N	-1	0	346.799	3.306	50	0		EGAARM
O=C([O-])[C@@H]1CS[C@H](c2ccc(OCc3ccc(F)cc3)cc2)N1	ZINC000000140199	452517503	/nfs/dbraw/zinc/51/75/03/452517503.db2.gz	ZFRLMTNGSVCZMW-JKSUJKDBSA-N	-1	0	333.384	3.193	50	0		EGAARM
Cc1sc2ncn([C@@H](C)C(=O)[O-])c(=O)c2c1-c1ccc(F)cc1	ZINC000000148211	452521742	/nfs/dbraw/zinc/52/17/42/452521742.db2.gz	PXSASSBOOFVYHK-QMMMGPOBSA-N	-1	0	332.356	3.218	50	0		EGAARM
O=C([O-])c1c(NC(=S)NC(=O)c2ccccc2)sc2c1CCC2	ZINC000000209991	452536554	/nfs/dbraw/zinc/53/65/54/452536554.db2.gz	XCKSMPCWJDMWSH-UHFFFAOYSA-N	-1	0	346.433	3.062	50	0		EGAARM
CCc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2)cc1	ZINC000000471186	452602348	/nfs/dbraw/zinc/60/23/48/452602348.db2.gz	KLURQCISYGTSSQ-UHFFFAOYSA-N	-1	0	328.393	3.074	50	0		EGAARM
O=C([N-]C(=O)C(F)(F)F)N[C@@H](c1ccccc1)c1cccc(F)c1	ZINC000000509830	452610861	/nfs/dbraw/zinc/61/08/61/452610861.db2.gz	MGGLNSJECPXDRZ-ZDUSSCGKSA-N	-1	0	340.276	3.303	50	0		EGAARM
Cc1ccc(N2C(=O)S[C@@H](Nc3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000001232446	452648045	/nfs/dbraw/zinc/64/80/45/452648045.db2.gz	XZUBKCXZCGYWKL-CQSZACIVSA-N	-1	0	342.376	3.331	50	0		EGAARM
C[C@H](CCc1ccccc1)NC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000002105522	452684695	/nfs/dbraw/zinc/68/46/95/452684695.db2.gz	WGYJIJUHGBHHIH-QAPCUYQASA-N	-1	0	340.423	3.003	50	0	biogenic	EGAARM
Cc1nn(C[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2)c(C)c1Cl	ZINC000002809710	452728731	/nfs/dbraw/zinc/72/87/31/452728731.db2.gz	IDWVYSIHDAYLIQ-SECBINFHSA-N	-1	0	335.791	3.126	50	0		EGAARM
O=C([O-])CCC(=O)Nc1cnn(Cc2c(Cl)cccc2Cl)c1	ZINC000002843648	452730787	/nfs/dbraw/zinc/73/07/87/452730787.db2.gz	OBROOAKAJSEGFU-UHFFFAOYSA-N	-1	0	342.182	3.042	50	0		EGAARM
CCOc1ccc(OCC)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1	ZINC000002884683	452733852	/nfs/dbraw/zinc/73/38/52/452733852.db2.gz	GYXCSAWFNVPQIV-UHFFFAOYSA-N	-1	0	339.388	3.424	50	0		EGAARM
Cc1oc2cc([O-])cc(O)c2c(=O)c1-c1ccc2c(c1)OCCCO2	ZINC000004282336	452797075	/nfs/dbraw/zinc/79/70/75/452797075.db2.gz	LVOYLLOLYGVLEE-UHFFFAOYSA-N	-1	0	340.331	3.341	50	0	biogenic	EGAARM
O=C([O-])c1csc(-n2nc(-c3cccnc3)cc2C(F)(F)F)n1	ZINC000005242828	452849492	/nfs/dbraw/zinc/84/94/92/452849492.db2.gz	FOXJORIAEVBFJW-UHFFFAOYSA-N	-1	0	340.286	3.108	50	0		EGAARM
COc1cc(-c2cc(=O)c3ccc([O-])cc3o2)cc(OC)c1OC	ZINC000005639600	452891501	/nfs/dbraw/zinc/89/15/01/452891501.db2.gz	MDEDRFPEUVNRFK-UHFFFAOYSA-N	-1	0	328.320	3.191	50	0		EGAARM
CC1CCC(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1	ZINC000006591504	452958392	/nfs/dbraw/zinc/95/83/92/452958392.db2.gz	SOQMJCDVRVFRFH-QWQCLYJRSA-N	-1	0	328.412	3.106	50	0		EGAARM
Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(N)=O)c(C)c1C	ZINC000006919640	453009164	/nfs/dbraw/zinc/00/91/64/453009164.db2.gz	KGBTUDRHTUFMDT-UHFFFAOYSA-N	-1	0	346.452	3.128	50	0		EGAARM
CCOc1cc(C(=O)[O-])ccc1OCC(=O)Nc1ccc(Cl)cc1	ZINC000007604164	453092137	/nfs/dbraw/zinc/09/21/37/453092137.db2.gz	ACHAUQUCQVOYAY-UHFFFAOYSA-N	-1	0	349.770	3.454	50	0		EGAARM
CCC1(CC)Cc2ccccc2-c2[nH]c3n[n-]c(=S)n3c(=O)c21	ZINC000009065987	453240869	/nfs/dbraw/zinc/24/08/69/453240869.db2.gz	NZZZRBGBIOEZKC-UHFFFAOYSA-N	-1	0	326.425	3.361	50	0		EGAARM
O=c1c2c3c(sc2[n-]c(=S)n1Cc1cccnc1)CCCC3	ZINC000017067576	453627384	/nfs/dbraw/zinc/62/73/84/453627384.db2.gz	DTGGJLOWKTXKEL-UHFFFAOYSA-N	-1	0	329.450	3.443	50	0		EGAARM
Nc1ccc(SCC(=O)Nc2cc(C(=O)[O-])ccc2Cl)cc1	ZINC000017070798	453628247	/nfs/dbraw/zinc/62/82/47/453628247.db2.gz	HFUYDWGZTOTFKR-UHFFFAOYSA-N	-1	0	336.800	3.351	50	0		EGAARM
COc1ccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])c(OC)c1	ZINC000017068563	453628316	/nfs/dbraw/zinc/62/83/16/453628316.db2.gz	HADMDGXVCQDGGK-ZIAGYGMSSA-N	-1	0	333.384	3.090	50	0		EGAARM
CC[C@@H](C)n1c(=O)c([C@@H]2OC(=O)c3ccccc32)c([O-])[nH]c1=S	ZINC000018206279	453647860	/nfs/dbraw/zinc/64/78/60/453647860.db2.gz	MVQJPLCDDBTBNU-PRHODGIISA-N	-1	0	332.381	3.255	50	0		EGAARM
O=C([O-])c1nnn(Cc2cccc(C(F)(F)F)c2)c1-c1cccnc1	ZINC000070457007	454169651	/nfs/dbraw/zinc/16/96/51/454169651.db2.gz	QYAIKGWPQJCKCS-UHFFFAOYSA-N	-1	0	348.284	3.105	50	0		EGAARM
Cc1cccc(OC[C@@H]2CCCN(c3cccc(C(=O)[O-])n3)C2)c1	ZINC000095509755	454224752	/nfs/dbraw/zinc/22/47/52/454224752.db2.gz	NGAPYRYUFFMGPM-OAHLLOKOSA-N	-1	0	326.396	3.384	50	0		EGAARM
O=C([O-])c1ccc(N2CCC[C@@H](COc3ccc(F)cc3)C2)nc1	ZINC000095511324	454225039	/nfs/dbraw/zinc/22/50/39/454225039.db2.gz	KHRZDFITBJOIDI-CYBMUJFWSA-N	-1	0	330.359	3.214	50	0		EGAARM
CSc1ccc2c(c1)CCN(C(=O)c1ccc(C(=O)[O-])cc1)C2	ZINC000097529098	454440255	/nfs/dbraw/zinc/44/02/55/454440255.db2.gz	PGEZGQVVHYTQKT-UHFFFAOYSA-N	-1	0	327.405	3.305	50	0		EGAARM
CC(C)(C)OC(=O)NC[C@H](C(=O)[O-])c1ccc(Br)cc1	ZINC000221538324	456043623	/nfs/dbraw/zinc/04/36/23/456043623.db2.gz	DGFFEPBGLNMTQI-NSHDSACASA-N	-1	0	344.205	3.142	50	0		EGAARM
COc1ccc2nc(NC(=O)[C@@H]3CC(C)=CC[C@@H]3C(=O)[O-])sc2c1	ZINC000521398261	459147865	/nfs/dbraw/zinc/14/78/65/459147865.db2.gz	OUMCKLLKLDUBLJ-NWDGAFQWSA-N	-1	0	346.408	3.301	50	0		EGAARM
CC(=O)N[C@H](Cc1ccc(-c2cccc(OC(C)C)c2)cc1)C(=O)[O-]	ZINC000534676842	459346102	/nfs/dbraw/zinc/34/61/02/459346102.db2.gz	YITFWRGWVVGHES-LJQANCHMSA-N	-1	0	341.407	3.273	50	0		EGAARM
CCc1ccc(OCCS(=O)(=O)[N-]c2nc(C)c(C)s2)cc1	ZINC000070637882	472499887	/nfs/dbraw/zinc/49/98/87/472499887.db2.gz	OPDJGYJEQLCBLA-UHFFFAOYSA-N	-1	0	340.470	3.143	50	0		EGAARM
CC(C)[C@H]1c2[nH]c3ccccc3c2CCN1Cc1c[nH]nc1C(=O)[O-]	ZINC001704349567	1416452571	/nfs/dbraw/zinc/45/25/71/1416452571.db2.gz	SJRFIVJEIXYWPB-SFHVURJKSA-N	-1	0	338.411	3.345	50	0		EGAARM
CC(C)c1noc([C@H](C)[N-]c2nnc(CSc3ccncc3)o2)n1	ZINC001772711182	1441417237	/nfs/dbraw/zinc/41/72/37/1441417237.db2.gz	XTLHOWLQHCAMGJ-JTQLQIEISA-N	-1	0	346.416	3.436	50	0		EGAARM
CC(C)(C)OC(=O)N(CC(=O)[O-])Cc1cccc(Br)c1	ZINC000725343457	978290271	/nfs/dbraw/zinc/29/02/71/978290271.db2.gz	XFGYZRUUXFPAIC-UHFFFAOYSA-N	-1	0	344.205	3.271	50	0		EGAARM
COc1cc(/C=C/[N+](=O)[O-])ccc1OCc1cccc(C(=O)[O-])c1	ZINC000004740773	210265424	/nfs/dbraw/zinc/26/54/24/210265424.db2.gz	BEYTXTFEYCNHIB-BQYQJAHWSA-N	-1	0	329.308	3.220	50	0		EGAARM
CCSCCn1c2cc(C(=O)[O-])cnc2n(C2CCCCC2)c1=O	ZINC000055401841	214318013	/nfs/dbraw/zinc/31/80/13/214318013.db2.gz	PTNJJYRYVBCYOQ-UHFFFAOYSA-N	-1	0	349.456	3.155	50	0		EGAARM
O=C([O-])C[C@@H](Cc1ccc(Cl)cc1)C(=O)NCc1ccccc1	ZINC000004602981	210230436	/nfs/dbraw/zinc/23/04/36/210230436.db2.gz	HBQYMPYUVWEVGD-OAHLLOKOSA-N	-1	0	331.799	3.290	50	0		EGAARM
Cn1c2ccsc2c([O-])c(C(=O)Nc2ccccc2Cl)c1=O	ZINC000049409470	214005623	/nfs/dbraw/zinc/00/56/23/214005623.db2.gz	ZOLHRRZGOVFBOQ-UHFFFAOYSA-N	-1	0	334.784	3.211	50	0		EGAARM
Cc1ccc(C[C@@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]2C)cc1	ZINC000100807283	219107449	/nfs/dbraw/zinc/10/74/49/219107449.db2.gz	FSEOBRZHMXJHRR-GUYCJALGSA-N	-1	0	337.375	3.061	50	0		EGAARM
O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1	ZINC000004242014	210149713	/nfs/dbraw/zinc/14/97/13/210149713.db2.gz	YMLZBPTXRMNAFP-GOSISDBHSA-N	-1	0	337.375	3.388	50	0		EGAARM
CC[C@@H](Sc1ccc2nnc(-c3ccc(C)cc3)n2n1)C(=O)[O-]	ZINC000004164871	210137336	/nfs/dbraw/zinc/13/73/36/210137336.db2.gz	JFHAGKVFATXAIS-GFCCVEGCSA-N	-1	0	328.397	3.055	50	0		EGAARM
COCCOc1ccc(-c2noc(-c3cccc(C(=O)[O-])c3)n2)cc1	ZINC000066331746	215034020	/nfs/dbraw/zinc/03/40/20/215034020.db2.gz	GHZLPZGBHDIIPA-UHFFFAOYSA-N	-1	0	340.335	3.127	50	0		EGAARM
CCO[C@H](C)c1nnc(SCC(=O)[O-])n1-c1ccc(Cl)cc1	ZINC000067432454	215145390	/nfs/dbraw/zinc/14/53/90/215145390.db2.gz	VUHHKOPLBYVPNE-SECBINFHSA-N	-1	0	341.820	3.195	50	0		EGAARM
Cc1cc(C)n(C[C@H](C)Nc2ncnc3sc(C(=O)[O-])c(C)c32)n1	ZINC000067880964	215238538	/nfs/dbraw/zinc/23/85/38/215238538.db2.gz	AWGNCRDMDBYLSB-VIFPVBQESA-N	-1	0	345.428	3.012	50	0		EGAARM
CN(C)C(=O)c1ccc(-n2ccnc2-c2ccc(C(=O)[O-])s2)s1	ZINC000067909683	215248726	/nfs/dbraw/zinc/24/87/26/215248726.db2.gz	CAZLXTBJXQNEDA-UHFFFAOYSA-N	-1	0	347.421	3.062	50	0		EGAARM
O=C([O-])CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1	ZINC000036724661	213113702	/nfs/dbraw/zinc/11/37/02/213113702.db2.gz	FWJRMUUTIMSFMP-UHFFFAOYSA-N	-1	0	335.772	3.357	50	0		EGAARM
O=C([O-])CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1	ZINC000036724671	213113258	/nfs/dbraw/zinc/11/32/58/213113258.db2.gz	OVNOIVGPZODTIJ-UHFFFAOYSA-N	-1	0	346.799	3.159	50	0		EGAARM
O=C([O-])C1CCC(CNC(=O)Cn2ccc3c2cccc3Cl)CC1	ZINC000036355084	213088917	/nfs/dbraw/zinc/08/89/17/213088917.db2.gz	VZPQSIGWUVSLSA-UHFFFAOYSA-N	-1	0	348.830	3.302	50	0		EGAARM
O=C([O-])Cc1c(F)cc(Br)c(F)c1Br	ZINC000263623202	304087840	/nfs/dbraw/zinc/08/78/40/304087840.db2.gz	FPKXUHXVZUWTJN-UHFFFAOYSA-N	-1	0	329.922	3.117	50	0		EGAARM
O=C([O-])c1ccc(Nc2ncnc3c2cnn3Cc2ccccc2)cc1	ZINC000000378169	209558534	/nfs/dbraw/zinc/55/85/34/209558534.db2.gz	UPDHHXUNXOCMQA-UHFFFAOYSA-N	-1	0	345.362	3.316	50	0		EGAARM
O=C([O-])c1cccc(NC(=S)NC(=O)c2cc3ccccc3o2)c1	ZINC000000310521	209529461	/nfs/dbraw/zinc/52/94/61/209529461.db2.gz	JDLXTMODDXVZTA-UHFFFAOYSA-N	-1	0	340.360	3.258	50	0		EGAARM
O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1cccs1	ZINC000000319405	209535864	/nfs/dbraw/zinc/53/58/64/209535864.db2.gz	PRMACEYGHWOWBZ-AWEZNQCLSA-N	-1	0	328.393	3.291	50	0		EGAARM
Cc1ccccc1OC1(C(=O)[O-])CCN(C(=O)[C@@H]2CC=CCC2)CC1	ZINC000072409425	216200653	/nfs/dbraw/zinc/20/06/53/216200653.db2.gz	JDQPIUASGPBQFC-MRXNPFEDSA-N	-1	0	343.423	3.176	50	0		EGAARM
Cc1cs/c(=N\c2ccc(C(=O)[O-])cc2)n1C(=O)c1ccoc1C	ZINC000025759473	212496365	/nfs/dbraw/zinc/49/63/65/212496365.db2.gz	MAEYOHDZXIKEAF-ZCXUNETKSA-N	-1	0	342.376	3.379	50	0		EGAARM
CC(C)c1ccc(-c2nc(CC(=O)NCCCC(=O)[O-])cs2)cc1	ZINC000020736379	212166732	/nfs/dbraw/zinc/16/67/32/212166732.db2.gz	GZZKHJDEJSZCCX-UHFFFAOYSA-N	-1	0	346.452	3.457	50	0		EGAARM
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCCC(=O)[O-]	ZINC000020744687	212168765	/nfs/dbraw/zinc/16/87/65/212168765.db2.gz	SAAHUWZAIIHDCR-UHFFFAOYSA-N	-1	0	338.816	3.367	50	0		EGAARM
Cc1nn(C)c2nc(-c3ccc(OC(F)F)cc3)cc(C(=O)[O-])c12	ZINC000012396170	211367388	/nfs/dbraw/zinc/36/73/88/211367388.db2.gz	NPDXWBQIEAVDBE-UHFFFAOYSA-N	-1	0	333.294	3.243	50	0		EGAARM
CC1(C)Cc2nc(-c3ccccc3)nc(SCC(=O)[O-])c2CO1	ZINC000012384532	211362931	/nfs/dbraw/zinc/36/29/31/211362931.db2.gz	BAFAQOWHBQLHBT-UHFFFAOYSA-N	-1	0	330.409	3.172	50	0		EGAARM
O=C([O-])COc1ccc2cc(-c3cc(F)cc(F)c3)c(=O)oc2c1	ZINC000011766574	211246252	/nfs/dbraw/zinc/24/62/52/211246252.db2.gz	HXBGQKKMLRYODB-UHFFFAOYSA-N	-1	0	332.258	3.202	50	0		EGAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1	ZINC000010342312	211167330	/nfs/dbraw/zinc/16/73/30/211167330.db2.gz	LDWPGXFYLNNQDZ-UHFFFAOYSA-N	-1	0	332.303	3.089	50	0		EGAARM
O=C([O-])CCSc1nnc(-c2cccc(Br)c2)o1	ZINC000006746472	210699182	/nfs/dbraw/zinc/69/91/82/210699182.db2.gz	ABMDIRVZTDRTIH-UHFFFAOYSA-N	-1	0	329.175	3.066	50	0		EGAARM
Nc1ccc(Nc2ccc(O)cc2)c2ccc(S(=O)(=O)[O-])cc12	ZINC000004787889	210278661	/nfs/dbraw/zinc/27/86/61/210278661.db2.gz	CAUOCGDGBOJRSS-UHFFFAOYSA-N	-1	0	330.365	3.118	50	0	in-vitro	EGAARM
O=C([O-])c1cn(-c2cccc(F)c2)c2c1NC(=O)C[C@H]2C(F)(F)F	ZINC000066091443	304274094	/nfs/dbraw/zinc/27/40/94/304274094.db2.gz	GTWXFDMMJNCVCI-SNVBAGLBSA-N	-1	0	342.248	3.303	50	0		EGAARM
Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C(=O)[O-]	ZINC000000079167	452500476	/nfs/dbraw/zinc/50/04/76/452500476.db2.gz	ZPYMHPJLWVFYFC-UHFFFAOYSA-N	-1	0	325.773	3.147	50	0		EGAARM
Cc1ccc(S[C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1	ZINC000013092447	275120480	/nfs/dbraw/zinc/12/04/80/275120480.db2.gz	OQBBSMSVLSSXNH-ZDUSSCGKSA-N	-1	0	329.421	3.490	50	0		EGAARM
CC(C)=CCC[C@@]1(C)OC(=O)N(CCCCCC(=O)[O-])[C@]1(C)O	ZINC000002491266	278661857	/nfs/dbraw/zinc/66/18/57/278661857.db2.gz	JYNJXJGAWYBQLR-IAGOWNOFSA-N	-1	0	327.421	3.297	50	0		EGAARM
CC(C)Cn1c2ccccc2c([O-])c(C(=O)Nc2ccccn2)c1=O	ZINC000100658519	279257067	/nfs/dbraw/zinc/25/70/67/279257067.db2.gz	DTQFBQJZLVFVRT-UHFFFAOYSA-N	-1	0	337.379	3.010	50	0		EGAARM
C[C@H]1CCc2c(sc3[n-]c(=S)n(C[C@@H]4CCCO4)c(=O)c23)C1	ZINC000006420521	300087832	/nfs/dbraw/zinc/08/78/32/300087832.db2.gz	RGQKPVWWDPDHER-UWVGGRQHSA-N	-1	0	336.482	3.424	50	0		EGAARM
Cc1ccc([C@H]2SC[C@@H](C(=O)[O-])N2C(=O)c2ccc(F)cc2)cc1	ZINC000000107224	301845038	/nfs/dbraw/zinc/84/50/38/301845038.db2.gz	DZTIRHYRVGCXOL-DOTOQJQBSA-N	-1	0	345.395	3.475	50	0		EGAARM
CC(=O)c1sc([N-]c2nc(NC(C)C)nc(NC(C)C)n2)nc1C	ZINC000000098987	452506621	/nfs/dbraw/zinc/50/66/21/452506621.db2.gz	VVQBPOSMJDEHCF-UHFFFAOYSA-N	-1	0	349.464	3.223	50	0		EGAARM
COc1ccc(S(=O)(=O)[N-]c2nc3c(cccc3C)s2)cc1	ZINC000000364344	452572416	/nfs/dbraw/zinc/57/24/16/452572416.db2.gz	HBSJNPXMEQLZHW-UHFFFAOYSA-N	-1	0	334.422	3.414	50	0		EGAARM
CN(CCC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000002386076	452695953	/nfs/dbraw/zinc/69/59/53/452695953.db2.gz	QZUDWCRKKTVLLX-UHFFFAOYSA-N	-1	0	325.364	3.342	50	0		EGAARM
O=C([O-])c1ccc(N[C@H]2SC(=O)N(Cc3ccccc3)C2=O)cc1	ZINC000002455811	452697052	/nfs/dbraw/zinc/69/70/52/452697052.db2.gz	MGWGBLRCYRVKJZ-AWEZNQCLSA-N	-1	0	342.376	3.018	50	0		EGAARM
O=C([O-])CCCCC(=O)c1cccc(I)c1	ZINC000002579885	452706483	/nfs/dbraw/zinc/70/64/83/452706483.db2.gz	WYUJKKRJIGVNEB-UHFFFAOYSA-N	-1	0	332.137	3.119	50	0		EGAARM
CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1	ZINC000002585856	452707111	/nfs/dbraw/zinc/70/71/11/452707111.db2.gz	UTYRIGRZLZNTLR-LLVKDONJSA-N	-1	0	344.205	3.490	50	0		EGAARM
CC1(C)[C@H](C(=O)Nc2nc3c(s2)CCCC3)CC[C@]1(C)C(=O)[O-]	ZINC000003079634	452742870	/nfs/dbraw/zinc/74/28/70/452742870.db2.gz	RZKGSHKOELFAFT-DYZYQPBXSA-N	-1	0	336.457	3.488	50	0		EGAARM
O=C([O-])c1ccc(-n2c(=O)c3ccc(Cl)cc3[nH]c2=S)cc1	ZINC000003911036	452787749	/nfs/dbraw/zinc/78/77/49/452787749.db2.gz	KHSUQSCXZILKNT-UHFFFAOYSA-N	-1	0	332.768	3.400	50	0		EGAARM
CCCC[C@@H](Sc1nc(C)c(Cc2ccccc2)c(=O)[nH]1)C(=O)[O-]	ZINC000005869014	452907645	/nfs/dbraw/zinc/90/76/45/452907645.db2.gz	CQKPUBAOCCCNJW-OAHLLOKOSA-N	-1	0	346.452	3.405	50	0		EGAARM
COc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1	ZINC000006502336	452948288	/nfs/dbraw/zinc/94/82/88/452948288.db2.gz	FGNGCEXIBCDFCD-UHFFFAOYSA-N	-1	0	348.243	3.320	50	0		EGAARM
O=C([O-])c1ccc(C[S@](=O)c2ccc(Br)cc2)o1	ZINC000006919215	453008654	/nfs/dbraw/zinc/00/86/54/453008654.db2.gz	ZYIHVIAYKLFAOE-GOSISDBHSA-N	-1	0	329.171	3.048	50	0		EGAARM
O=C1[N-]C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)N1	ZINC000014011274	453498242	/nfs/dbraw/zinc/49/82/42/453498242.db2.gz	SPKYUUCYHBXALQ-DHDCSXOGSA-N	-1	0	328.755	3.099	50	0		EGAARM
O=C1C[C@H](SC(=S)[N-]c2ccccc2)C(=O)N1c1ccccc1	ZINC000017071556	453629326	/nfs/dbraw/zinc/62/93/26/453629326.db2.gz	YRGWXJNDVQWHRB-AWEZNQCLSA-N	-1	0	342.445	3.449	50	0		EGAARM
Cc1nc2sc([C@@H](c3ccco3)N3C[C@H](C)C[C@H](C)C3)c([O-])n2n1	ZINC000033682169	453916382	/nfs/dbraw/zinc/91/63/82/453916382.db2.gz	KNNOMGOJHQKQJB-UHIISALHSA-N	-1	0	346.456	3.465	50	0		EGAARM
COc1cccc([C@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C(=O)[O-])c1	ZINC000035571968	453924272	/nfs/dbraw/zinc/92/42/72/453924272.db2.gz	NTWGMYJAYZNBRS-CABCVRRESA-N	-1	0	335.400	3.263	50	0		EGAARM
CCn1cc(C(=O)[O-])c(=O)c2c(N)c(F)c(NC3CCCCC3)cc21	ZINC000068248381	454010764	/nfs/dbraw/zinc/01/07/64/454010764.db2.gz	MOMCHYGXXYBDCD-UHFFFAOYSA-N	-1	0	347.390	3.186	50	0	in-vitro	EGAARM
C[C@H](Cc1cccnc1)n1ccnc1-c1ccccc1OCC(=O)[O-]	ZINC000071416388	454206092	/nfs/dbraw/zinc/20/60/92/454206092.db2.gz	NQSIRPDTDSIZKJ-CQSZACIVSA-N	-1	0	337.379	3.212	50	0		EGAARM
CC(C)c1nc(N2CCC[C@](Cc3ccccc3F)(C(=O)[O-])C2)no1	ZINC000071419204	454207339	/nfs/dbraw/zinc/20/73/39/454207339.db2.gz	CBFMUAXMWXYOET-GOSISDBHSA-N	-1	0	347.390	3.246	50	0		EGAARM
COC[C@@H](C)N(Cc1ccccc1F)C(=O)c1cccc(C(=O)[O-])c1	ZINC000426493273	457841833	/nfs/dbraw/zinc/84/18/33/457841833.db2.gz	SQIIZORPRMTWRS-CYBMUJFWSA-N	-1	0	345.370	3.201	50	0		EGAARM
CCn1c(=O)c(C(=O)Nc2cccc(F)c2)c([O-])c2ccccc21	ZINC000006520095	1291047027	/nfs/dbraw/zinc/04/70/27/1291047027.db2.gz	TZILXLHCUOUBSX-UHFFFAOYSA-N	-1	0	326.327	3.118	50	0		EGAARM
CO[C@@H]1CCCN(c2noc(-c3ccc(Cl)cc3)c2C(=O)[O-])C1	ZINC001704329036	1416445630	/nfs/dbraw/zinc/44/56/30/1416445630.db2.gz	RWJJRASEBXPODX-GFCCVEGCSA-N	-1	0	336.775	3.308	50	0		EGAARM
CC[C@H]1CCN(c2noc(-c3ccc(F)c(OC)c3)c2C(=O)[O-])C1	ZINC001704337649	1416448690	/nfs/dbraw/zinc/44/86/90/1416448690.db2.gz	XNBWDKAVCZBNOO-JTQLQIEISA-N	-1	0	334.347	3.424	50	0		EGAARM
O=C(c1cc(=O)c2cccc(F)c2[n-]1)N1CCC[C@@]2(CCCO2)CC1	ZINC000097773027	219055308	/nfs/dbraw/zinc/05/53/08/219055308.db2.gz	KRMQHRZUEIBCHX-LJQANCHMSA-N	-1	0	344.386	3.255	50	0		EGAARM
O=C(Nc1ccc(Cl)cc1)c1c([O-])c2cccc3c2n(c1=O)CC3	ZINC000001258144	304001865	/nfs/dbraw/zinc/00/18/65/304001865.db2.gz	IUHJTHVPALTDQM-UHFFFAOYSA-N	-1	0	340.766	3.169	50	0		EGAARM
CC(=O)c1ccc(-n2c(SCC(=O)[O-])nnc2[C@@H]2CC2(C)C)cc1	ZINC000067513661	215156289	/nfs/dbraw/zinc/15/62/89/215156289.db2.gz	MFRCZTNBNOMPKF-ZDUSSCGKSA-N	-1	0	345.424	3.160	50	0		EGAARM
Cc1cccc(Cn2ccc([N-]S(=O)(=O)c3ccc(F)cc3)n2)c1	ZINC000002804735	209919533	/nfs/dbraw/zinc/91/95/33/209919533.db2.gz	FTAIRPMZLHBYNX-UHFFFAOYSA-N	-1	0	345.399	3.180	50	0		EGAARM
Cc1cc(OC(F)F)ccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC000002784122	209912808	/nfs/dbraw/zinc/91/28/08/209912808.db2.gz	HJFMWBQZJIEVFC-NWDGAFQWSA-N	-1	0	327.327	3.426	50	0		EGAARM
CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)[O-]	ZINC000040566512	213352507	/nfs/dbraw/zinc/35/25/07/213352507.db2.gz	QIUZGOVYNVWFFN-CYBMUJFWSA-N	-1	0	338.791	3.342	50	0		EGAARM
Cc1[n-]n(-c2ccccc2)c(=O)c1CCC(=O)N1CCc2ccccc21	ZINC000001425350	209747140	/nfs/dbraw/zinc/74/71/40/209747140.db2.gz	QPAZBAMPCGUCCP-SFHVURJKSA-N	-1	0	347.418	3.395	50	0		EGAARM
Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1	ZINC000037641987	213161684	/nfs/dbraw/zinc/16/16/84/213161684.db2.gz	XCBNCLQVGDKNEQ-UHFFFAOYSA-N	-1	0	325.773	3.147	50	0		EGAARM
O=C([O-])[C@]1(Cc2ccc(F)cc2)CCCN(c2ncccc2F)C1	ZINC000071750180	215807129	/nfs/dbraw/zinc/80/71/29/215807129.db2.gz	OOVBRWMAKAASFH-SFHVURJKSA-N	-1	0	332.350	3.274	50	0		EGAARM
O=C([O-])c1ccnc(-c2ccnc(N[C@@H]3C[C@H]3c3ccccc3)n2)c1	ZINC000072411554	216204010	/nfs/dbraw/zinc/20/40/10/216204010.db2.gz	VWZQLGHVFOEDQS-GOEBONIOSA-N	-1	0	332.363	3.205	50	0		EGAARM
CC(C)C[C@@H]1CCN(c2nccc(-c3cc(C(=O)[O-])ccn3)n2)C1	ZINC000072469254	216248863	/nfs/dbraw/zinc/24/88/63/216248863.db2.gz	INGOQHDMUFCHAH-ZDUSSCGKSA-N	-1	0	326.400	3.109	50	0		EGAARM
Cc1cccc2c1ncc(C(=O)[O-])c2Nc1ccc2c(c1)OCCO2	ZINC000019795517	212068584	/nfs/dbraw/zinc/06/85/84/212068584.db2.gz	SFBUUYDFJDNBPM-UHFFFAOYSA-N	-1	0	336.347	3.178	50	0		EGAARM
Cc1ccccc1N1C(=O)C[C@H](Sc2ccccc2C(=O)[O-])C1=O	ZINC000019789455	212066987	/nfs/dbraw/zinc/06/69/87/212066987.db2.gz	QWPRCIGYEPLAMY-HNNXBMFYSA-N	-1	0	341.388	3.117	50	0		EGAARM
Cc1nc(CC(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)cs1	ZINC000095374611	218307402	/nfs/dbraw/zinc/30/74/02/218307402.db2.gz	JKXOVGDBERVPGB-OAHLLOKOSA-N	-1	0	344.436	3.098	50	0		EGAARM
COc1ccc2cc([C@@H](C(=O)[O-])N(C)Cc3ccon3)ccc2c1	ZINC000095374203	218306682	/nfs/dbraw/zinc/30/66/82/218306682.db2.gz	HPVJQHNBIAIPNP-KRWDZBQOSA-N	-1	0	326.352	3.094	50	0		EGAARM
O=C([O-])c1ccc([C@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1	ZINC000095391722	218323527	/nfs/dbraw/zinc/32/35/27/218323527.db2.gz	SQZDROYWJJPBIG-ZDUSSCGKSA-N	-1	0	329.318	3.433	50	0		EGAARM
COc1ccc2ccccc2c1C=C(Sc1nnc(C)[nH]1)C(=O)[O-]	ZINC000005025704	210364796	/nfs/dbraw/zinc/36/47/96/210364796.db2.gz	UEMHZXNYXQMWLD-DHDCSXOGSA-N	-1	0	341.392	3.493	50	0		EGAARM
COc1ccc(-c2ccc(C(=O)[O-])c(N3CCSCC3)n2)cc1	ZINC000299775916	258086546	/nfs/dbraw/zinc/08/65/46/258086546.db2.gz	MDMJWYMYQAWDCV-UHFFFAOYSA-N	-1	0	330.409	3.009	50	0		EGAARM
CC(C)(Cc1ccc(O)cc1)NC(=O)[C@@H](C(=O)[O-])C1CCCCC1	ZINC000299757642	258075620	/nfs/dbraw/zinc/07/56/20/258075620.db2.gz	IERVRPYWLUCURI-INIZCTEOSA-N	-1	0	333.428	3.111	50	0		EGAARM
COc1cccc([C@@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C(=O)[O-])c1	ZINC000035571966	295315083	/nfs/dbraw/zinc/31/50/83/295315083.db2.gz	NTWGMYJAYZNBRS-LSDHHAIUSA-N	-1	0	335.400	3.263	50	0		EGAARM
Cc1cc(C(=O)[O-])cc(-c2ccc([C@@H](C)N3CCOCC3)cc2)n1	ZINC000215506318	301151613	/nfs/dbraw/zinc/15/16/13/301151613.db2.gz	VOOTUEUBABIWHQ-CQSZACIVSA-N	-1	0	326.396	3.148	50	0		EGAARM
Cc1ccc(S(=O)(=O)[N-]C(=O)O[C@H]2C[C@H]3C[C@@H]2[C@H]2C=CC[C@H]32)cc1	ZINC000004110279	301687564	/nfs/dbraw/zinc/68/75/64/301687564.db2.gz	IABLGVHYLVGUFH-CMZRPVNOSA-N	-1	0	347.436	3.011	50	0		EGAARM
O=c1oc2cc(O)ccc2c([O-])c1-c1ccc2c(c1)OCCCO2	ZINC000005731259	304819647	/nfs/dbraw/zinc/81/96/47/304819647.db2.gz	RNBMXPOZZWDXQK-UHFFFAOYSA-N	-1	0	326.304	3.033	50	0		EGAARM
O=S(=O)([N-]c1ccc(Br)cc1)c1ccccc1F	ZINC000000074627	452498951	/nfs/dbraw/zinc/49/89/51/452498951.db2.gz	JCUDAZLHIJGDBV-UHFFFAOYSA-N	-1	0	330.178	3.389	50	0		EGAARM
O=C([O-])c1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2)c1	ZINC000000310691	452561294	/nfs/dbraw/zinc/56/12/94/452561294.db2.gz	CZSMCBWKEOAYML-UHFFFAOYSA-N	-1	0	334.784	3.165	50	0		EGAARM
O=C([O-])/C(=C\c1cccc(Br)c1)NC(=O)c1ccccc1	ZINC000000445339	452592810	/nfs/dbraw/zinc/59/28/10/452592810.db2.gz	LGBSOFCREJXJFG-GXDHUFHOSA-N	-1	0	346.180	3.305	50	0		EGAARM
Cc1cc(Oc2nnnn2-c2ccc(C(=O)[O-])cc2)ccc1Cl	ZINC000000528826	452614066	/nfs/dbraw/zinc/61/40/66/452614066.db2.gz	AUXCVSJUYLCNET-UHFFFAOYSA-N	-1	0	330.731	3.115	50	0		EGAARM
O=C([O-])[C@@H](Cc1ccc(Cl)cc1)NC(=O)OCc1ccccc1	ZINC000002002736	452683815	/nfs/dbraw/zinc/68/38/15/452683815.db2.gz	LEWUPPXPENCAKM-OAHLLOKOSA-N	-1	0	333.771	3.262	50	0		EGAARM
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(=O)[O-]	ZINC000002386874	452695202	/nfs/dbraw/zinc/69/52/02/452695202.db2.gz	XKMOOODKNPYTEE-LLVKDONJSA-N	-1	0	333.306	3.226	50	0		EGAARM
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000002583126	452706518	/nfs/dbraw/zinc/70/65/18/452706518.db2.gz	BTOGCFAOJIQONJ-OYYNGEPBSA-N	-1	0	349.386	3.340	50	0		EGAARM
O=C([O-])C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(F)cc1	ZINC000002884649	452734155	/nfs/dbraw/zinc/73/41/55/452734155.db2.gz	HAQMYIJEXSFJRM-OAHLLOKOSA-N	-1	0	335.762	3.354	50	0		EGAARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)Nc1ccc(F)c(Cl)c1	ZINC000005164923	452842908	/nfs/dbraw/zinc/84/29/08/452842908.db2.gz	RCHBAAPWFJMJOM-AWEZNQCLSA-N	-1	0	336.750	3.297	50	0		EGAARM
Cc1ccc(S(=O)(=O)Nc2ccc(C)c(N3CCCC3=O)c2)cc1	ZINC000005329527	452858716	/nfs/dbraw/zinc/85/87/16/452858716.db2.gz	AOVLULYFZPPGIX-UHFFFAOYSA-N	-1	0	344.436	3.231	50	0		EGAARM
O=C1CCCCN1c1ccc([N-]S(=O)(=O)c2ccccc2F)cc1	ZINC000005329764	452860797	/nfs/dbraw/zinc/86/07/97/452860797.db2.gz	GDAANICDWBMEKC-UHFFFAOYSA-N	-1	0	348.399	3.143	50	0		EGAARM
COc1ccc(-c2c(C)oc3cc([O-])cc(O)c3c2=O)cc1OC	ZINC000005955706	452912668	/nfs/dbraw/zinc/91/26/68/452912668.db2.gz	OKMZAQXBYWZWCL-UHFFFAOYSA-N	-1	0	328.320	3.197	50	0	biogenic	EGAARM
CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccc(Cl)cc2)C1	ZINC000006357308	452937493	/nfs/dbraw/zinc/93/74/93/452937493.db2.gz	NSBYJYHHDUOADW-CHWSQXEVSA-N	-1	0	325.792	3.375	50	0		EGAARM
COCCCn1c(=O)c2c([n-]c1=S)sc1c2CCCS1	ZINC000006506184	452949111	/nfs/dbraw/zinc/94/91/11/452949111.db2.gz	DRSMBNVOEVCLIT-UHFFFAOYSA-N	-1	0	328.484	3.195	50	0		EGAARM
CC1CCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1	ZINC000006591502	452958929	/nfs/dbraw/zinc/95/89/29/452958929.db2.gz	SOQMJCDVRVFRFH-FVKWTLKZSA-N	-1	0	328.412	3.106	50	0		EGAARM
O=C([O-])CCC(=O)Nc1ccc(Oc2ccc3c(c2)OCO3)cc1	ZINC000006668224	452967874	/nfs/dbraw/zinc/96/78/74/452967874.db2.gz	SWJIBJMKYFCRKI-UHFFFAOYSA-N	-1	0	329.308	3.011	50	0		EGAARM
CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])Cc1c[nH]c2ccccc12	ZINC000006882752	453003533	/nfs/dbraw/zinc/00/35/33/453003533.db2.gz	FVYUVNZXIBSYAM-CYBMUJFWSA-N	-1	0	332.400	3.469	50	0		EGAARM
CC(C)(C)[C@@H]1CCc2c(sc3[nH]c(CCC(=O)[O-])nc(=O)c23)C1	ZINC000012381411	453358974	/nfs/dbraw/zinc/35/89/74/453358974.db2.gz	CULXUUJRCHADKV-SECBINFHSA-N	-1	0	334.441	3.153	50	0		EGAARM
COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)[O-])c(OC)c1	ZINC000013095034	453444974	/nfs/dbraw/zinc/44/49/74/453444974.db2.gz	XJMJPWQLZZFSAK-CSKARUKUSA-N	-1	0	327.336	3.054	50	0		EGAARM
O=C([O-])c1ccc(CNC(=O)c2ccccc2Br)cc1	ZINC000013166192	453450909	/nfs/dbraw/zinc/45/09/09/453450909.db2.gz	GVNYYRNXKYJMDS-UHFFFAOYSA-N	-1	0	334.169	3.077	50	0		EGAARM
CCCCSc1nnc(-c2ccccc2NC(=O)CC)c(=O)[n-]1	ZINC000015016326	453552226	/nfs/dbraw/zinc/55/22/26/453552226.db2.gz	PKJPHEDASAAUAT-UHFFFAOYSA-N	-1	0	332.429	3.485	50	0		EGAARM
COc1ccc(NC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1OC	ZINC000017067646	453627264	/nfs/dbraw/zinc/62/72/64/453627264.db2.gz	WGIOBVDZPJXZTP-UHFFFAOYSA-N	-1	0	330.340	3.354	50	0		EGAARM
COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c(OC)c1	ZINC000017067137	453627423	/nfs/dbraw/zinc/62/74/23/453627423.db2.gz	DZZLBNQLDIVKFD-UHFFFAOYSA-N	-1	0	327.789	3.158	50	0		EGAARM
Cc1cccc(N2C(=O)C[C@@H](Sc3ccccc3C(=O)[O-])C2=O)c1	ZINC000018181181	453646657	/nfs/dbraw/zinc/64/66/57/453646657.db2.gz	ORKFBYIPMPEPIJ-OAHLLOKOSA-N	-1	0	341.388	3.117	50	0		EGAARM
Cc1ccc(NC(=O)Cc2csc([N-]c3ncccn3)n2)cc1F	ZINC000044227690	454092261	/nfs/dbraw/zinc/09/22/61/454092261.db2.gz	PRJLQLMSXKBOSS-UHFFFAOYSA-N	-1	0	343.387	3.305	50	0		EGAARM
O=C([O-])c1ccccc1CN1CCO[C@@H](Cc2ccccc2Cl)C1	ZINC000071614870	454208850	/nfs/dbraw/zinc/20/88/50/454208850.db2.gz	ZBFZFSJBFQKCHY-INIZCTEOSA-N	-1	0	345.826	3.482	50	0		EGAARM
Cc1ncnc(N2CCC[C@](Cc3ccccc3F)(C(=O)[O-])C2)c1C	ZINC000071524721	454208932	/nfs/dbraw/zinc/20/89/32/454208932.db2.gz	SQLQRKGHTSTRFF-LJQANCHMSA-N	-1	0	343.402	3.146	50	0		EGAARM
O=C([O-])[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)OCc2ccccc2)C1	ZINC000095642944	454232035	/nfs/dbraw/zinc/23/20/35/454232035.db2.gz	ZCRHDDGIVRGRQG-VXGBXAGGSA-N	-1	0	331.290	3.051	50	0		EGAARM
CC(C)[C@H](Nc1nc(N)nc2ccc(C(=O)[O-])cc21)c1cccnc1	ZINC000065424008	454565800	/nfs/dbraw/zinc/56/58/00/454565800.db2.gz	ZCJXIGDZXVBNAK-HNNXBMFYSA-N	-1	0	337.383	3.114	50	0		EGAARM
O=C([O-])c1ccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1	ZINC000261770849	455944902	/nfs/dbraw/zinc/94/49/02/455944902.db2.gz	ODCRFHLLTYHRLI-QGZVFWFLSA-N	-1	0	341.363	3.195	50	0		EGAARM
CCn1c(SCc2ccc(C(=O)[O-])cc2)nnc1-c1ccccn1	ZINC000195751369	535997569	/nfs/dbraw/zinc/99/75/69/535997569.db2.gz	BUARBTLOPQPQAB-UHFFFAOYSA-N	-1	0	340.408	3.351	50	0		EGAARM
CN(C(=O)OCC1c2ccccc2-c2ccccc21)C1(C(=O)[O-])CC1	ZINC000234243214	547252213	/nfs/dbraw/zinc/25/22/13/547252213.db2.gz	PCEPBBOZZJAHST-UHFFFAOYSA-N	-1	0	337.375	3.485	50	0		EGAARM
CCCC[C@@H](NC(=O)c1cc(O)cc(C(=O)[O-])c1)c1cccnc1	ZINC000822830897	1320127219	/nfs/dbraw/zinc/12/72/19/1320127219.db2.gz	FTOHVAUYGBTBDI-MRXNPFEDSA-N	-1	0	328.368	3.147	50	0		EGAARM
CC[C@@H]1CCN(c2noc(-c3ccc(F)c(OC)c3)c2C(=O)[O-])C1	ZINC001704337650	1416448904	/nfs/dbraw/zinc/44/89/04/1416448904.db2.gz	XNBWDKAVCZBNOO-SNVBAGLBSA-N	-1	0	334.347	3.424	50	0		EGAARM
CCc1ccccc1NC(=O)[C@H](Cc1cccc(C)c1)c1nnn[n-]1	ZINC000006359363	1443435042	/nfs/dbraw/zinc/43/50/42/1443435042.db2.gz	NJQYBAXYISGQLM-MRXNPFEDSA-N	-1	0	335.411	3.036	50	0		EGAARM
CCCN(Cc1ccccc1F)C(=O)c1cccc(NCC(=O)[O-])c1	ZINC000055413544	214321256	/nfs/dbraw/zinc/32/12/56/214321256.db2.gz	SZHUEODTPKSAHN-UHFFFAOYSA-N	-1	0	344.386	3.375	50	0		EGAARM
CSc1nn2c([n-]1)nc(C)c(Cc1cccc3ccccc31)c2=O	ZINC000100133382	219092502	/nfs/dbraw/zinc/09/25/02/219092502.db2.gz	CQYSXEZJRNIGGW-UHFFFAOYSA-N	-1	0	336.420	3.192	50	0		EGAARM
CCCOc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1	ZINC000003765111	210072951	/nfs/dbraw/zinc/07/29/51/210072951.db2.gz	RWSBNVHBOLYIRX-KRWDZBQOSA-N	-1	0	327.380	3.421	50	0		EGAARM
CCc1nnc2c(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)cccn12	ZINC000067172404	215120504	/nfs/dbraw/zinc/12/05/04/215120504.db2.gz	LAWOLKHNARXJAP-UHFFFAOYSA-N	-1	0	344.440	3.216	50	0		EGAARM
COc1cc(NC(=O)c2ccccc2Cl)c(C(=O)[O-])cc1OC	ZINC000002641104	209881053	/nfs/dbraw/zinc/88/10/53/209881053.db2.gz	IVKQQBXBFXAHGH-UHFFFAOYSA-N	-1	0	335.743	3.308	50	0		EGAARM
CC(C)(C)OC(=O)N1CCC(Cc2cccc(F)c2)(C(=O)[O-])CC1	ZINC000035571451	213038939	/nfs/dbraw/zinc/03/89/39/213038939.db2.gz	SSHQHNYFKRVNHG-UHFFFAOYSA-N	-1	0	337.391	3.470	50	0		EGAARM
O=C([O-])c1ccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@@H]3C2=O)cc1	ZINC000102607472	295990467	/nfs/dbraw/zinc/99/04/67/295990467.db2.gz	UJAJOWHSJQVELS-NXHRZFHOSA-N	-1	0	349.386	3.458	50	0		EGAARM
CC(C)(C)c1nc(CN2CC[C@@H](c3ccccc3C(=O)[O-])C2)no1	ZINC000072131923	216020852	/nfs/dbraw/zinc/02/08/52/216020852.db2.gz	AOVQVRIKURKRMN-GFCCVEGCSA-N	-1	0	329.400	3.055	50	0		EGAARM
CCCc1nc(C(=O)N2CC[C@@H](c3ccccc3C(=O)[O-])C2)cs1	ZINC000072153297	216042033	/nfs/dbraw/zinc/04/20/33/216042033.db2.gz	SJHXKYGVFWPUEL-GFCCVEGCSA-N	-1	0	344.436	3.424	50	0		EGAARM
Cc1ccccc1C(=O)NC(=S)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000000311308	209530473	/nfs/dbraw/zinc/53/04/73/209530473.db2.gz	WBGBDVJKRNZLJU-UHFFFAOYSA-N	-1	0	348.811	3.473	50	0		EGAARM
O=C([O-])[C@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000000056735	209393082	/nfs/dbraw/zinc/39/30/82/209393082.db2.gz	ZPGDWQNBZYOZTI-GOSISDBHSA-N	-1	0	337.375	3.485	50	0		EGAARM
O=C([O-])c1cccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@@H]3C2=O)c1	ZINC000226396118	242100764	/nfs/dbraw/zinc/10/07/64/242100764.db2.gz	MSVQNQCNCYKKHH-QGTPRVQTSA-N	-1	0	349.386	3.458	50	0		EGAARM
CCOC(=O)C[C@@H](c1ccccc1)c1c([O-])c2ccccc2[nH]c1=O	ZINC000078496515	217063488	/nfs/dbraw/zinc/06/34/88/217063488.db2.gz	QCMPTIRRZYKJIO-HNNXBMFYSA-N	-1	0	337.375	3.319	50	0		EGAARM
CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1	ZINC000012138595	211302908	/nfs/dbraw/zinc/30/29/08/211302908.db2.gz	KNEGVRQYNSQQCA-LBPRGKRZSA-N	-1	0	340.379	3.165	50	0		EGAARM
CCCCOc1cccc(CNC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1	ZINC000011951788	211273904	/nfs/dbraw/zinc/27/39/04/211273904.db2.gz	RXTWKCULUQXSLW-IRXDYDNUSA-N	-1	0	333.428	3.373	50	0		EGAARM
Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)[O-]	ZINC000009614599	211109739	/nfs/dbraw/zinc/10/97/39/211109739.db2.gz	WAYCGVGIBVZAKC-IBGZPJMESA-N	-1	0	334.375	3.496	50	0		EGAARM
COC(=O)c1sccc1S(=O)(=O)[N-]c1cccc(SC)c1	ZINC000009002280	211030017	/nfs/dbraw/zinc/03/00/17/211030017.db2.gz	DUUZVGFPNVRRMU-UHFFFAOYSA-N	-1	0	343.451	3.057	50	0		EGAARM
CC(C)OC(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1	ZINC000006699443	210683722	/nfs/dbraw/zinc/68/37/22/210683722.db2.gz	YSSRKZUOAPFAFO-GJZGRUSLSA-N	-1	0	333.384	3.081	50	0		EGAARM
COc1cccc([C@@H]2CC(c3c([O-])cc(C)oc3=O)=NCCS2)c1	ZINC000005956913	210567334	/nfs/dbraw/zinc/56/73/34/210567334.db2.gz	UFCNJKKZCJDOHU-INIZCTEOSA-N	-1	0	345.420	3.330	50	0	biogenic	EGAARM
COc1ccc(CN2C(=O)CC[C@@H](C(=O)[O-])[C@H]2c2ccccc2)cc1	ZINC000005661515	210510697	/nfs/dbraw/zinc/51/06/97/210510697.db2.gz	DXPXRAGPKFGOQD-IEBWSBKVSA-N	-1	0	339.391	3.260	50	0		EGAARM
O=C([O-])c1ccccc1[C@@H]1CCN(c2ncnc3ccsc32)C1	ZINC000072144025	304271293	/nfs/dbraw/zinc/27/12/93/304271293.db2.gz	GXPLBUFDOAZDFS-LLVKDONJSA-N	-1	0	325.393	3.383	50	0		EGAARM
O=C([O-])c1n[nH]c2c1[C@H](c1ccccc1-c1ccccc1)CC(=O)N2	ZINC000065433139	304282913	/nfs/dbraw/zinc/28/29/13/304282913.db2.gz	JAFDSVODYLEYOF-AWEZNQCLSA-N	-1	0	333.347	3.249	50	0		EGAARM
O=C([O-])C[C@@H]1Oc2ccccc2N(Cc2cc(Cl)ccc2F)C1=O	ZINC000063855552	132805925	/nfs/dbraw/zinc/80/59/25/132805925.db2.gz	NCRQKBDZEMYYBV-HNNXBMFYSA-N	-1	0	349.745	3.248	50	0		EGAARM
CCC1(CC)Cc2ccccc2-c2[nH]c3n[n-]c(=S)n3c(=O)c21	ZINC000102911857	275962166	/nfs/dbraw/zinc/96/21/66/275962166.db2.gz	XXAKXAOSEUKAFT-UHFFFAOYSA-N	-1	0	326.425	3.400	50	0		EGAARM
CC(C)(C)OC(=O)NC1(C(=O)[O-])Cc2cccc3cccc(c32)C1	ZINC000038528641	278424789	/nfs/dbraw/zinc/42/47/89/278424789.db2.gz	UGIMPWOOLDLSRX-UHFFFAOYSA-N	-1	0	327.380	3.287	50	0		EGAARM
CC1(C)Cc2nc([N-]S(=O)(=O)c3ccccc3)sc2C(=O)C1	ZINC000000795391	281375948	/nfs/dbraw/zinc/37/59/48/281375948.db2.gz	DCCIWDHJDHMNLV-UHFFFAOYSA-N	-1	0	336.438	3.099	50	0		EGAARM
COc1ccc2[nH]c3c(nc([O-])n(-c4ccc(Cl)cc4)c3=O)c2c1	ZINC000071328549	295255728	/nfs/dbraw/zinc/25/57/28/295255728.db2.gz	UFFAXCCLAMQQJV-UHFFFAOYSA-N	-1	0	341.754	3.235	50	0		EGAARM
Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(C(=O)[O-])cc2)c1C	ZINC000000387294	301178189	/nfs/dbraw/zinc/17/81/89/301178189.db2.gz	PQPFGHOAPLHTAE-UHFFFAOYSA-N	-1	0	347.436	3.097	50	0		EGAARM
Cc1ccc(S(=O)(=O)[N-]C(=O)O[C@H]2C[C@H]3C[C@@H]2[C@@H]2C=CC[C@@H]32)cc1	ZINC000013401111	301687690	/nfs/dbraw/zinc/68/76/90/301687690.db2.gz	IABLGVHYLVGUFH-LBWNCTQTSA-N	-1	0	347.436	3.011	50	0		EGAARM
Cc1nc2sc3c(c2c(N2CCC(C(=O)[O-])CC2)n1)CCCC3	ZINC000002875433	302686061	/nfs/dbraw/zinc/68/60/61/302686061.db2.gz	ZFKBNFMMSFIGHP-UHFFFAOYSA-N	-1	0	331.441	3.180	50	0		EGAARM
Cc1ccc([C@H]2SC[C@H](C(=O)[O-])N2C(=O)c2ccc(F)cc2)cc1	ZINC000000107220	452509052	/nfs/dbraw/zinc/50/90/52/452509052.db2.gz	DZTIRHYRVGCXOL-NVXWUHKLSA-N	-1	0	345.395	3.475	50	0		EGAARM
O=C([O-])c1ccc(NC(=O)c2ccco2)c(NC(=O)c2ccco2)c1	ZINC000000176912	452527084	/nfs/dbraw/zinc/52/70/84/452527084.db2.gz	ORDGTUOCHROOLP-UHFFFAOYSA-N	-1	0	340.291	3.075	50	0		EGAARM
CC(=O)Oc1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)[O-])cc1	ZINC000000237464	452544151	/nfs/dbraw/zinc/54/41/51/452544151.db2.gz	SZCXWCDLNZVMQZ-UHFFFAOYSA-N	-1	0	333.727	3.216	50	0		EGAARM
[O-]c1c(Br)cc(Br)nc1Br	ZINC000000343299	452567662	/nfs/dbraw/zinc/56/76/62/452567662.db2.gz	CJJDOBAYAHWINI-UHFFFAOYSA-N	-1	0	331.789	3.075	50	0		EGAARM
Cc1c(NC(=S)NC(=O)c2ccccc2Cl)cccc1C(=O)[O-]	ZINC000000311062	452560274	/nfs/dbraw/zinc/56/02/74/452560274.db2.gz	ODIZQJVJCRIONA-UHFFFAOYSA-N	-1	0	348.811	3.473	50	0		EGAARM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2nc3ccccc3s2)cc1	ZINC000000337642	452566410	/nfs/dbraw/zinc/56/64/10/452566410.db2.gz	QBCQRNFZSOLOGV-UHFFFAOYSA-N	-1	0	347.421	3.115	50	0		EGAARM
O=C(Cc1c(=O)[nH]c2ccccc2c1[O-])Nc1ccccc1Cl	ZINC000000406861	452579440	/nfs/dbraw/zinc/57/94/40/452579440.db2.gz	GTHDDNNTKFBFLF-UHFFFAOYSA-N	-1	0	328.755	3.068	50	0		EGAARM
O=c1c2ccc(Cl)cc2[n-]c(=S)n1Cc1ccc2c(c1)OCO2	ZINC000000425276	452586725	/nfs/dbraw/zinc/58/67/25/452586725.db2.gz	GEQABKOLHLOEDO-UHFFFAOYSA-N	-1	0	346.795	3.489	50	0		EGAARM
COc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1OC	ZINC000000470805	452602599	/nfs/dbraw/zinc/60/25/99/452602599.db2.gz	HEQILIHBMVATFY-UHFFFAOYSA-N	-1	0	333.818	3.220	50	0		EGAARM
Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])ccc1Cl	ZINC000000572690	452626628	/nfs/dbraw/zinc/62/66/28/452626628.db2.gz	NZTFKFSZZUXLOD-UHFFFAOYSA-N	-1	0	325.773	3.147	50	0		EGAARM
CCOC(=O)c1cc(C)sc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC000002759328	452720325	/nfs/dbraw/zinc/72/03/25/452720325.db2.gz	UBWCQYVHYWIVBZ-GHMZBOCLSA-N	-1	0	339.413	3.063	50	0		EGAARM
Cc1cccc(S(=O)(=O)Nc2ccc(C)c(N3CCCC3=O)c2)c1	ZINC000005329526	452859247	/nfs/dbraw/zinc/85/92/47/452859247.db2.gz	CQQASRPGAMFNIR-UHFFFAOYSA-N	-1	0	344.436	3.231	50	0		EGAARM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)c(Cl)c1	ZINC000005769170	452901184	/nfs/dbraw/zinc/90/11/84/452901184.db2.gz	WTVWQKUYRUNANF-CQSZACIVSA-N	-1	0	338.190	3.419	50	0		EGAARM
CCOC(=O)c1oc2cc(C)cc(=O)c-2c([O-])c1-c1csc(C)n1	ZINC000005790995	452903670	/nfs/dbraw/zinc/90/36/70/452903670.db2.gz	LYTQHMRLXZZAAB-UHFFFAOYSA-N	-1	0	345.376	3.416	50	0		EGAARM
Cc1ccc(C(=O)N2[C@H](C(=O)[O-])CS[C@H]2c2ccccc2)cc1	ZINC000006663723	452965092	/nfs/dbraw/zinc/96/50/92/452965092.db2.gz	KVYGIPWXEZZRSM-RDJZCZTQSA-N	-1	0	327.405	3.336	50	0		EGAARM
Cc1ccccc1C(=O)NC(=S)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000006861005	452998511	/nfs/dbraw/zinc/99/85/11/452998511.db2.gz	VRIWIJJLHKWAIC-UHFFFAOYSA-N	-1	0	348.811	3.473	50	0		EGAARM
Cc1ccc2[nH]c(SCC(=O)Nc3ccccc3C(=O)[O-])nc2c1	ZINC000008014851	453151150	/nfs/dbraw/zinc/15/11/50/453151150.db2.gz	CAZJHWFLEMKWQL-UHFFFAOYSA-N	-1	0	341.392	3.300	50	0		EGAARM
O=C([O-])c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1	ZINC000013166563	453451191	/nfs/dbraw/zinc/45/11/91/453451191.db2.gz	LWGRUICNIQAXTR-UHFFFAOYSA-N	-1	0	334.169	3.329	50	0		EGAARM
Cc1c(C(=O)[O-])sc2ncn(Cc3ccc(Cl)cc3)c(=O)c12	ZINC000013417131	453463070	/nfs/dbraw/zinc/46/30/70/453463070.db2.gz	BMBUGTUWKCOUMK-UHFFFAOYSA-N	-1	0	334.784	3.166	50	0		EGAARM
Cc1nc2[n-]c(C(F)(F)F)nn2c(=O)c1Cc1cccc(Cl)c1	ZINC000018223179	453648799	/nfs/dbraw/zinc/64/87/99/453648799.db2.gz	SBZPVUOMDGPZHA-UHFFFAOYSA-N	-1	0	342.708	3.401	50	0		EGAARM
O=C([O-])CCCC(=O)Nc1cccc(NC(=O)c2cccs2)c1	ZINC000019799940	453659581	/nfs/dbraw/zinc/65/95/81/453659581.db2.gz	FZTMCRWYSHHAJH-UHFFFAOYSA-N	-1	0	332.381	3.194	50	0		EGAARM
COc1cc2c(cc1OC)-c1[n-]n(-c3ccc(F)cc3)c(=O)c1CC2	ZINC000019925328	453660773	/nfs/dbraw/zinc/66/07/73/453660773.db2.gz	PHASRIMFFSYNQZ-AWEZNQCLSA-N	-1	0	340.354	3.156	50	0		EGAARM
COc1cccc(C[C@@]2(C(=O)[O-])CCCN(c3ncccc3F)C2)c1	ZINC000071776466	454217808	/nfs/dbraw/zinc/21/78/08/454217808.db2.gz	GQJWPSKOYKQAPW-IBGZPJMESA-N	-1	0	344.386	3.143	50	0		EGAARM
COc1ccc2c(C)c(C(=O)N[C@@H](CC(=O)[O-])c3ccco3)oc2c1	ZINC000095507498	454223936	/nfs/dbraw/zinc/22/39/36/454223936.db2.gz	SBZGSQZZHASALJ-ZDUSSCGKSA-N	-1	0	343.335	3.289	50	0		EGAARM
CCOc1ccc(S(=O)(=O)[N-]c2cc(C)ccn2)cc1C(C)(C)C	ZINC000095946080	454235355	/nfs/dbraw/zinc/23/53/55/454235355.db2.gz	YQHWLEOAZHUFBX-UHFFFAOYSA-N	-1	0	348.468	3.309	50	0		EGAARM
O=C([O-])c1ccc(CNC(=O)[C@]2(c3ccccc3)CC23CCCC3)o1	ZINC000426436413	457830293	/nfs/dbraw/zinc/83/02/93/457830293.db2.gz	CLLAPCVDDHJDNP-HXUWFJFHSA-N	-1	0	339.391	3.496	50	0		EGAARM
COc1cccc(SCC(=O)NC2(CC(=O)[O-])CCCCC2)c1	ZINC000426442094	457832271	/nfs/dbraw/zinc/83/22/71/457832271.db2.gz	YFKBCNIPAXJUBP-UHFFFAOYSA-N	-1	0	337.441	3.081	50	0		EGAARM
COc1cccc(OC)c1-c1cc(C(=O)[O-])nn1-c1ccc(F)cc1	ZINC000498045696	459566359	/nfs/dbraw/zinc/56/63/59/459566359.db2.gz	YXZZFYTZKLINTK-UHFFFAOYSA-N	-1	0	342.326	3.394	50	0		EGAARM
Cc1cc2oc(-c3ccc4c(c3)C[C@@H](C)O4)c(CC(=O)[O-])c2c(=O)[nH]1	ZINC000604406064	460422353	/nfs/dbraw/zinc/42/23/53/460422353.db2.gz	ZTNGLASRMXNRGG-SNVBAGLBSA-N	-1	0	339.347	3.459	50	0	biogenic	EGAARM
CCOc1ccc2nc([N-]c3ncc4c(n3)CCCC4=O)nc(C)c2c1	ZINC000018061842	471967954	/nfs/dbraw/zinc/96/79/54/471967954.db2.gz	KKVKNVXBNOLGKI-UHFFFAOYSA-N	-1	0	349.394	3.390	50	0		EGAARM
COc1ccc(S(=O)(=O)[N-]c2cc(C)ccn2)c2ccccc12	ZINC000036638859	472003048	/nfs/dbraw/zinc/00/30/48/472003048.db2.gz	TYJWXYNBNRMJIR-UHFFFAOYSA-N	-1	0	328.393	3.353	50	0		EGAARM
COc1cc(-c2onc(N3C[C@@H]4CC[C@@H](C4)C3)c2C(=O)[O-])ccc1F	ZINC001704325289	1416444433	/nfs/dbraw/zinc/44/44/33/1416444433.db2.gz	HFJAXDILKLEVFC-PHIMTYICSA-N	-1	0	346.358	3.424	50	0		EGAARM
CO[C@H]1CCCN(c2noc(-c3ccc(Cl)cc3)c2C(=O)[O-])C1	ZINC001704329037	1416445884	/nfs/dbraw/zinc/44/58/84/1416445884.db2.gz	RWJJRASEBXPODX-LBPRGKRZSA-N	-1	0	336.775	3.308	50	0		EGAARM
Clc1cccc(-c2nccn2-c2ccc(Oc3nn[n-]n3)cc2)c1	ZINC000072159403	1423617463	/nfs/dbraw/zinc/61/74/63/1423617463.db2.gz	RVWFOZOXYXTJHU-UHFFFAOYSA-N	-1	0	338.758	3.498	50	0		EGAARM
O=C([O-])c1ccccc1NC(=S)NC(=O)c1ccc(Cl)cc1	ZINC000004674563	210243087	/nfs/dbraw/zinc/24/30/87/210243087.db2.gz	SJRHMNICFFSTPT-UHFFFAOYSA-N	-1	0	334.784	3.165	50	0		EGAARM
Cc1cc(C)cc(NC(=O)c2ccccc2NC(=O)CCC(=O)[O-])c1	ZINC000004593123	210229569	/nfs/dbraw/zinc/22/95/69/210229569.db2.gz	GAENVXFWJWAXSX-UHFFFAOYSA-N	-1	0	340.379	3.359	50	0		EGAARM
Cc1[n-]n(-c2ccccc2)c(=O)c1CCC(=O)N1CCc2ccccc21	ZINC000100167693	219093443	/nfs/dbraw/zinc/09/34/43/219093443.db2.gz	QPAZBAMPCGUCCP-GOSISDBHSA-N	-1	0	347.418	3.395	50	0		EGAARM
Cc1ccc(NC(=O)c2c([O-])c3sccc3n(C)c2=O)cc1F	ZINC000049409460	214005907	/nfs/dbraw/zinc/00/59/07/214005907.db2.gz	QXNDVZRGYOSPRY-UHFFFAOYSA-N	-1	0	332.356	3.005	50	0		EGAARM
O=C([O-])[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000101197820	219118999	/nfs/dbraw/zinc/11/89/99/219118999.db2.gz	BTOGCFAOJIQONJ-LLSQANQASA-N	-1	0	349.386	3.340	50	0		EGAARM
Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1Cc1ccc(Cl)cc1	ZINC000101369307	219124107	/nfs/dbraw/zinc/12/41/07/219124107.db2.gz	ZLCWGJYYWJLEFT-OAHLLOKOSA-N	-1	0	328.803	3.328	50	0		EGAARM
COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)[O-])c3N2)c1	ZINC000004196205	210143355	/nfs/dbraw/zinc/14/33/55/210143355.db2.gz	LSTMQXHIFRUHAC-NWDGAFQWSA-N	-1	0	341.289	3.250	50	0	aggregator	EGAARM
O=C([O-])CCSCCCN1C(=O)c2cccc3cccc(c32)C1=O	ZINC000004070869	210111217	/nfs/dbraw/zinc/11/12/17/210111217.db2.gz	GTKXGZUMBCLIJE-UHFFFAOYSA-N	-1	0	343.404	3.034	50	0		EGAARM
Cc1ccc(C(=O)N[C@H](C(=O)[O-])C23CC4CC(CC(C4)C2)C3)cc1	ZINC000003897595	210087669	/nfs/dbraw/zinc/08/76/69/210087669.db2.gz	RDEVIOIJOIUWIF-SJFHUFEGSA-N	-1	0	327.424	3.394	50	0	biogenic	EGAARM
O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1	ZINC000003855777	210079974	/nfs/dbraw/zinc/07/99/74/210079974.db2.gz	XDUFELBTIZCYDJ-UHFFFAOYSA-N	-1	0	346.191	3.492	50	0		EGAARM
C[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])C12CC3CC(CC(C3)C1)C2	ZINC000239339229	299204385	/nfs/dbraw/zinc/20/43/85/299204385.db2.gz	LWNFGAHZGNWAKY-LKZHAKSLSA-N	-1	0	331.456	3.375	50	0		EGAARM
O=C([O-])Cc1cc(=O)n(Cc2ccc(Cl)cc2)c2ccccc12	ZINC000039295629	213234450	/nfs/dbraw/zinc/23/44/50/213234450.db2.gz	CIJJYMSASPQXIX-UHFFFAOYSA-N	-1	0	327.767	3.330	50	0		EGAARM
COc1ccccc1C(=O)N1CC[C@H](Cc2cccc(C(=O)[O-])c2)C1	ZINC000072167342	216058408	/nfs/dbraw/zinc/05/84/08/216058408.db2.gz	XFKQYQJAFXYNGW-OAHLLOKOSA-N	-1	0	339.391	3.098	50	0		EGAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1	ZINC000000214928	209489471	/nfs/dbraw/zinc/48/94/71/209489471.db2.gz	LERJGVDIGWFGPM-UHFFFAOYSA-N	-1	0	335.425	3.430	50	0		EGAARM
CC(=O)c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1	ZINC000000067531	209398708	/nfs/dbraw/zinc/39/87/08/209398708.db2.gz	LEZZKRJGHZRDCN-UHFFFAOYSA-N	-1	0	326.377	3.238	50	0		EGAARM
COc1ccc2oc(-c3cccc(OC)c3OC)c(O)c(=O)c2c1	ZINC000000057771	209392709	/nfs/dbraw/zinc/39/27/09/209392709.db2.gz	JXSYQDXUXXSGDH-UHFFFAOYSA-N	-1	0	328.320	3.191	50	0		EGAARM
Cc1cc(C(=O)N2CC[C@H](Cc3ccc(C(=O)[O-])cc3)C2)ccc1O	ZINC000072429552	216222672	/nfs/dbraw/zinc/22/26/72/216222672.db2.gz	CXDCAZBFAHTKJS-OAHLLOKOSA-N	-1	0	339.391	3.104	50	0		EGAARM
CN(Cc1csc(-c2ccccc2)n1)C(=O)CCc1cc(=O)[n-]o1	ZINC000072434858	216229921	/nfs/dbraw/zinc/22/99/21/216229921.db2.gz	ZUQYZGMWUYZXRH-UHFFFAOYSA-N	-1	0	343.408	3.095	50	0		EGAARM
O=C([O-])C1(NC(=O)c2ccccc2OCc2ccccc2)CCCC1	ZINC000243901285	243034150	/nfs/dbraw/zinc/03/41/50/243034150.db2.gz	BAYICPWKENYMRT-UHFFFAOYSA-N	-1	0	339.391	3.393	50	0		EGAARM
Cc1ccc(OCc2occc2C(=O)NC2(C(=O)[O-])CCCC2)cc1	ZINC000244874798	243095345	/nfs/dbraw/zinc/09/53/45/243095345.db2.gz	XHNLFGZNYXYSEN-UHFFFAOYSA-N	-1	0	343.379	3.294	50	0		EGAARM
C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)n1ccc(C(=O)[O-])n1	ZINC000020602694	212152493	/nfs/dbraw/zinc/15/24/93/212152493.db2.gz	OVDHKTSZHNXKDS-SSDOTTSWSA-N	-1	0	328.155	3.088	50	0		EGAARM
C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC000020503534	212141276	/nfs/dbraw/zinc/14/12/76/212141276.db2.gz	CWVTWMOUBBUSDC-LLVKDONJSA-N	-1	0	349.770	3.209	50	0		EGAARM
C[C@H](Sc1nnc2n1c1ccccc1n2-c1ccccc1)C(=O)[O-]	ZINC000019737352	212059305	/nfs/dbraw/zinc/05/93/05/212059305.db2.gz	ZECZDCGZTWKZRB-NSHDSACASA-N	-1	0	338.392	3.238	50	0		EGAARM
CC(C)CSc1nc2c(c(=O)[nH][n-]c2=O)n1Cc1ccccc1	ZINC000013132696	211526831	/nfs/dbraw/zinc/52/68/31/211526831.db2.gz	KOPPNJUZEQMEHA-UHFFFAOYSA-N	-1	0	330.413	3.034	50	0		EGAARM
COc1ccc(OCCOc2ccc(/C=C/C(=O)[O-])cc2OC)cc1	ZINC000011883845	211264504	/nfs/dbraw/zinc/26/45/04/211264504.db2.gz	WGQXSWJPNIDYCQ-ONNFQVAWSA-N	-1	0	344.363	3.259	50	0		EGAARM
Cc1cc(C(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)cnc1C	ZINC000095376790	218308609	/nfs/dbraw/zinc/30/86/09/218308609.db2.gz	SHDPMHYVPFSAGX-KRWDZBQOSA-N	-1	0	338.407	3.416	50	0		EGAARM
O=C([O-])c1cc(N2CCC[C@H](Cn3ccnc3)C2)nc2ccccc21	ZINC000096166368	218640165	/nfs/dbraw/zinc/64/01/65/218640165.db2.gz	BPUIYXAHGGZAMA-CQSZACIVSA-N	-1	0	336.395	3.046	50	0		EGAARM
O=C([O-])C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCO1	ZINC000000036412	208553952	/nfs/dbraw/zinc/55/39/52/208553952.db2.gz	DEVKFZDTYBKBAG-SKDRFNHKSA-N	-1	0	332.183	3.202	50	0		EGAARM
COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)[O-])cc3N2)c1	ZINC000004825184	210289458	/nfs/dbraw/zinc/28/94/58/210289458.db2.gz	LDNKVPOAPZQKIK-CMPLNLGQSA-N	-1	0	341.289	3.250	50	0		EGAARM
O=C([O-])[C@H]1CCCN(C(=O)c2ccccc2NCc2cccs2)C1	ZINC000426419765	257968938	/nfs/dbraw/zinc/96/89/38/257968938.db2.gz	MMDLLOHYQNXKBB-ZDUSSCGKSA-N	-1	0	344.436	3.297	50	0		EGAARM
O=C([O-])[C@@H]1CS[C@H](c2ccc(OCc3cccc(F)c3)cc2)N1	ZINC000000031829	258047125	/nfs/dbraw/zinc/04/71/25/258047125.db2.gz	HSDWOBKUUZLTNK-JKSUJKDBSA-N	-1	0	333.384	3.193	50	0		EGAARM
Cc1cc(Br)ccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000000398712	301071691	/nfs/dbraw/zinc/07/16/91/301071691.db2.gz	GWFKHFDHMIPHDJ-NEPJUHHUSA-N	-1	0	338.201	3.363	50	0		EGAARM
Cc1nc2sc3c(c2c2nc(CCC(=O)[O-])nn21)[C@H](C)CCC3	ZINC000002350002	302687092	/nfs/dbraw/zinc/68/70/92/302687092.db2.gz	OVAOUFAJGXHYFW-MRVPVSSYSA-N	-1	0	330.413	3.104	50	0		EGAARM
O=c1cc(-c2ccc3ccccc3c2)nc2[n-]c(C(F)(F)F)nn21	ZINC000100136827	304816829	/nfs/dbraw/zinc/81/68/29/304816829.db2.gz	OCRCOVIQPCZDHI-UHFFFAOYSA-N	-1	0	330.269	3.257	50	0		EGAARM
COc1ccc2c(C)c(C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)oc2c1	ZINC000244742009	455277032	/nfs/dbraw/zinc/27/70/32/455277032.db2.gz	OALQDRXIBSGFAO-JOCQHMNTSA-N	-1	0	345.395	3.371	50	0		EGAARM
O=C(CSc1nc2ccccc2o1)Nc1ccc(C(=O)[O-])cc1	ZINC000000042221	452496048	/nfs/dbraw/zinc/49/60/48/452496048.db2.gz	CNSQETRMTCZBJR-UHFFFAOYSA-N	-1	0	328.349	3.257	50	0		EGAARM
O=C([O-])c1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1	ZINC000000074470	452498495	/nfs/dbraw/zinc/49/84/95/452498495.db2.gz	LTXNSYUJJVHELV-UHFFFAOYSA-N	-1	0	345.298	3.204	50	0		EGAARM
O=C([O-])c1ccccc1C(=O)NCc1ccccc1OC(F)(F)F	ZINC000000147743	452521229	/nfs/dbraw/zinc/52/12/29/452521229.db2.gz	HUXDWFVQDWJHGM-UHFFFAOYSA-N	-1	0	339.269	3.213	50	0		EGAARM
CCOC(=O)c1c(C)c(C)sc1[N-]S(=O)(=O)c1ccccc1	ZINC000000205256	452535014	/nfs/dbraw/zinc/53/50/14/452535014.db2.gz	FSBAVUDDFNAOJS-UHFFFAOYSA-N	-1	0	339.438	3.342	50	0		EGAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1	ZINC000000308593	452558787	/nfs/dbraw/zinc/55/87/87/452558787.db2.gz	URCWAYPWBTUUJV-UHFFFAOYSA-N	-1	0	340.404	3.405	50	0		EGAARM
Cc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1	ZINC000000311119	452560721	/nfs/dbraw/zinc/56/07/21/452560721.db2.gz	FSYKXFIQIAZRKJ-UHFFFAOYSA-N	-1	0	348.811	3.473	50	0		EGAARM
Cc1ccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2C)cc1	ZINC000000309237	452561166	/nfs/dbraw/zinc/56/11/66/452561166.db2.gz	ACLHIJPDHCFZDY-UHFFFAOYSA-N	-1	0	328.393	3.128	50	0		EGAARM
O=C([O-])CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1F	ZINC000000367415	452571504	/nfs/dbraw/zinc/57/15/04/452571504.db2.gz	CWEXMMOMWMPVAB-CQSZACIVSA-N	-1	0	346.383	3.430	50	0		EGAARM
COc1cc(S(=O)(=O)[N-]c2ccccn2)c(Cl)cc1Cl	ZINC000000384637	452576593	/nfs/dbraw/zinc/57/65/93/452576593.db2.gz	DFQXJASOUVLYOP-UHFFFAOYSA-N	-1	0	333.196	3.198	50	0		EGAARM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1	ZINC000000470666	452602850	/nfs/dbraw/zinc/60/28/50/452602850.db2.gz	PODOIXNNDVMYEJ-UHFFFAOYSA-N	-1	0	345.829	3.379	50	0		EGAARM
COc1cc(Br)ccc1[N-]S(=O)(=O)c1ccccc1	ZINC000000612346	452631883	/nfs/dbraw/zinc/63/18/83/452631883.db2.gz	MUZSGEXAXKLYAX-UHFFFAOYSA-N	-1	0	342.214	3.259	50	0		EGAARM
Cc1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CCC4)cc1	ZINC000001240896	452649074	/nfs/dbraw/zinc/64/90/74/452649074.db2.gz	ILPJQXKKAZPAMI-UHFFFAOYSA-N	-1	0	334.375	3.214	50	0		EGAARM
Cc1[n-]n(-c2ccccc2)c(=O)c1CCC(=O)NCc1ccccc1	ZINC000001425266	452663843	/nfs/dbraw/zinc/66/38/43/452663843.db2.gz	TWTNBPLTIKMTRZ-GOSISDBHSA-N	-1	0	335.407	3.122	50	0		EGAARM
O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1S(=O)(=O)[O-]	ZINC000002743600	452719417	/nfs/dbraw/zinc/71/94/17/452719417.db2.gz	ZOXNANWZLQCSAK-UHFFFAOYSA-N	-1	0	335.768	3.095	50	0		EGAARM
COc1ccc(-c2n[n-]c(=S)n2-c2ccc3c(c2)OCCO3)cc1	ZINC000005695540	452895948	/nfs/dbraw/zinc/89/59/48/452895948.db2.gz	XRILWMTYPAJTEF-UHFFFAOYSA-N	-1	0	341.392	3.377	50	0		EGAARM
Cc1c(Cl)cccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000006703938	452974194	/nfs/dbraw/zinc/97/41/94/452974194.db2.gz	PCCGBCLWVZLCIJ-UHFFFAOYSA-N	-1	0	325.773	3.147	50	0		EGAARM
CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])c(C)c1C	ZINC000008715824	453226044	/nfs/dbraw/zinc/22/60/44/453226044.db2.gz	PYUYEJJTRWPEAM-UHFFFAOYSA-N	-1	0	349.408	3.201	50	0		EGAARM
CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1ccccc1Br	ZINC000026423363	453799906	/nfs/dbraw/zinc/79/99/06/453799906.db2.gz	XAAGWHKTRALRLO-SNVBAGLBSA-N	-1	0	330.178	3.100	50	0		EGAARM
CCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1C	ZINC000032601580	453878884	/nfs/dbraw/zinc/87/88/84/453878884.db2.gz	ISHDJFPULOHTAQ-UHFFFAOYSA-N	-1	0	349.408	3.283	50	0		EGAARM
CN(Cc1cccc(F)c1)c1nccc(-c2cc(C(=O)[O-])ccn2)n1	ZINC000071770995	454217215	/nfs/dbraw/zinc/21/72/15/454217215.db2.gz	PELIDVLZAJFTHJ-UHFFFAOYSA-N	-1	0	338.342	3.012	50	0		EGAARM
CN(C(=O)CC12CC3CC(CC(C3)C1)C2)[C@@H](C(=O)[O-])c1cccnc1	ZINC000095508445	454224400	/nfs/dbraw/zinc/22/44/00/454224400.db2.gz	OAYMOCFMCAXIHG-XAPRQVHKSA-N	-1	0	342.439	3.272	50	0		EGAARM
O=C([O-])c1cccc(C(=O)N(CCCO)Cc2ccc(Cl)cc2)c1	ZINC000097495260	454439532	/nfs/dbraw/zinc/43/95/32/454439532.db2.gz	LGOPFYCDRPFOJX-UHFFFAOYSA-N	-1	0	347.798	3.063	50	0		EGAARM
Cc1cc(-c2ccc(S(C)(=O)=O)cc2)nc(-c2ccccc2[O-])n1	ZINC000065420841	454564379	/nfs/dbraw/zinc/56/43/79/454564379.db2.gz	FBSIJVXJHWSCTC-UHFFFAOYSA-N	-1	0	340.404	3.228	50	0		EGAARM
CC(C)OCc1nnc(SCC(=O)[O-])n1-c1ccccc1Cl	ZINC000065506586	454579586	/nfs/dbraw/zinc/57/95/86/454579586.db2.gz	LDLSCVGYMGZLGT-UHFFFAOYSA-N	-1	0	341.820	3.022	50	0		EGAARM
Cc1cc2nc(CCC(=O)N[C@H](CC(=O)[O-])CC(C)C)[nH]c2cc1C	ZINC000223797710	456061062	/nfs/dbraw/zinc/06/10/62/456061062.db2.gz	QJRIFMHCJWHIBF-AWEZNQCLSA-N	-1	0	345.443	3.118	50	0		EGAARM
COC[C@H](C)N(Cc1ccccc1F)C(=O)c1cccc(C(=O)[O-])c1	ZINC000426493275	457841404	/nfs/dbraw/zinc/84/14/04/457841404.db2.gz	SQIIZORPRMTWRS-ZDUSSCGKSA-N	-1	0	345.370	3.201	50	0		EGAARM
CC(=O)N[C@@H](Cc1ccc(-c2cccc(OC(C)C)c2)cc1)C(=O)[O-]	ZINC000534676841	459346116	/nfs/dbraw/zinc/34/61/16/459346116.db2.gz	YITFWRGWVVGHES-IBGZPJMESA-N	-1	0	341.407	3.273	50	0		EGAARM
COc1cc(C(=O)[O-])cc(-c2ccc(C(=O)N(C)CC(C)C)cc2)n1	ZINC000584903754	459821317	/nfs/dbraw/zinc/82/13/17/459821317.db2.gz	SJZIYFIEQMGURJ-UHFFFAOYSA-N	-1	0	342.395	3.183	50	0		EGAARM
Cc1ccc(CNC(=O)c2c([O-])c3cccc4c3n(c2=O)[C@H](C)C4)cc1	ZINC000170624686	534047823	/nfs/dbraw/zinc/04/78/23/534047823.db2.gz	JGUFXLGWWVDUOJ-CYBMUJFWSA-N	-1	0	348.402	3.063	50	0		EGAARM
C=CCn1c(=O)c(C(=O)Nc2cccc(F)c2)c([O-])c2ccccc21	ZINC000135912414	1293803463	/nfs/dbraw/zinc/80/34/63/1293803463.db2.gz	XPUDFCKQKDVUGZ-UHFFFAOYSA-N	-1	0	338.338	3.285	50	0		EGAARM
CC(C)c1nc(CNc2noc(-c3ccccc3)c2C(=O)[O-])no1	ZINC001704331899	1416446040	/nfs/dbraw/zinc/44/60/40/1416446040.db2.gz	NROOSGFHCVIEEF-UHFFFAOYSA-N	-1	0	328.328	3.158	50	0		EGAARM
CN(CCCOc1ccc(Cl)cc1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000097657329	219045056	/nfs/dbraw/zinc/04/50/56/219045056.db2.gz	QHLZHRBVPBGANG-QWHCGFSZSA-N	-1	0	339.819	3.068	50	0		EGAARM
COc1ccc(NC(=O)[C@H](CC(=O)[O-])Cc2ccc(C)cc2)cc1	ZINC000004713965	210256929	/nfs/dbraw/zinc/25/69/29/210256929.db2.gz	AXAZYKMGTNMXOZ-HNNXBMFYSA-N	-1	0	327.380	3.276	50	0		EGAARM
COc1ccc(NC(=O)[C@@H](CC(=O)[O-])Cc2ccc(C)cc2)cc1	ZINC000004713966	210255747	/nfs/dbraw/zinc/25/57/47/210255747.db2.gz	AXAZYKMGTNMXOZ-OAHLLOKOSA-N	-1	0	327.380	3.276	50	0		EGAARM
CCc1nnc(CN(C(C)C)[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)o1	ZINC000055413126	214321181	/nfs/dbraw/zinc/32/11/81/214321181.db2.gz	NVLUZNPUUTXMLR-MRXNPFEDSA-N	-1	0	335.379	3.116	50	0		EGAARM
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000004652307	210238260	/nfs/dbraw/zinc/23/82/60/210238260.db2.gz	FVUAQZYJHCRJGO-MNOVXSKESA-N	-1	0	328.195	3.277	50	0		EGAARM
CC(C)(C)OC(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1CC(=O)[O-]	ZINC000004521115	210213144	/nfs/dbraw/zinc/21/31/44/210213144.db2.gz	JMUKNEBKTDVWBE-GJZGRUSLSA-N	-1	0	335.400	3.056	50	0		EGAARM
O=c1[n-]c(NCCc2c[nH]c3ccccc23)nnc1Cc1ccccc1	ZINC000101448518	219127492	/nfs/dbraw/zinc/12/74/92/219127492.db2.gz	SBHQLRSMMVMDPE-HNNXBMFYSA-N	-1	0	345.406	3.057	50	0		EGAARM
Cc1c(C(=O)[O-])sc2ncnc(N[C@@H](c3nccn3C)C(C)C)c12	ZINC000067821230	215221811	/nfs/dbraw/zinc/22/18/11/215221811.db2.gz	ZXFCLAGSQRSRHF-LLVKDONJSA-N	-1	0	345.428	3.241	50	0		EGAARM
O=C([O-])[C@@H](Cc1cccc(Cl)c1)NC(=O)OCc1ccccc1	ZINC000039956998	213245932	/nfs/dbraw/zinc/24/59/32/213245932.db2.gz	IWFZOONMJOMOIW-OAHLLOKOSA-N	-1	0	333.771	3.262	50	0		EGAARM
O=C([O-])c1n[nH]c(-c2cccc(Br)c2)c1Br	ZINC000038478443	213209711	/nfs/dbraw/zinc/20/97/11/213209711.db2.gz	YBUOXRNTRKZZKY-UHFFFAOYSA-N	-1	0	345.978	3.300	50	0		EGAARM
CCCN1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1	ZINC000000070009	283315911	/nfs/dbraw/zinc/31/59/11/283315911.db2.gz	VQZMBKSKJMYQOE-ROUUACIJSA-N	-1	0	339.391	3.471	50	0		EGAARM
Cc1nccnc1N1CCC(Cc2ccccc2Cl)(C(=O)[O-])CC1	ZINC000071749839	215805501	/nfs/dbraw/zinc/80/55/01/215805501.db2.gz	HXNVSXUUJOCOIL-UHFFFAOYSA-N	-1	0	345.830	3.352	50	0		EGAARM
CN(Cc1ccccc1F)c1nccc(-c2cc(C(=O)[O-])ccn2)n1	ZINC000071746590	215803320	/nfs/dbraw/zinc/80/33/20/215803320.db2.gz	YLHUPIOFDUVNBJ-UHFFFAOYSA-N	-1	0	338.342	3.012	50	0		EGAARM
COC(=O)c1cc(-c2ccccc2)c2c(=O)n(-c3ccccc3)nc-2[n-]1	ZINC000000408341	209572989	/nfs/dbraw/zinc/57/29/89/209572989.db2.gz	HWKMDTNWOIQYSU-UHFFFAOYSA-N	-1	0	345.358	3.167	50	0		EGAARM
Cc1cc(CN(C)Cc2ccc(O[C@@H](C)C(=O)[O-])c(Cl)c2)on1	ZINC000215276141	241118338	/nfs/dbraw/zinc/11/83/38/241118338.db2.gz	ONDFNWZLNRARQG-NSHDSACASA-N	-1	0	338.791	3.120	50	0		EGAARM
O=S(=O)([N-]c1ccn2nccc2c1)c1cccc(C(F)(F)F)c1	ZINC000217961826	241287314	/nfs/dbraw/zinc/28/73/14/241287314.db2.gz	BSVWXCBFZSEBSB-UHFFFAOYSA-N	-1	0	341.314	3.154	50	0		EGAARM
Cc1ccc(OCC(=O)Nc2cccc(/C=C/C(=O)[O-])c2)c(C)c1	ZINC000226322688	242098517	/nfs/dbraw/zinc/09/85/17/242098517.db2.gz	KTKGOJGYAAOOPQ-VQHVLOKHSA-N	-1	0	325.364	3.419	50	0		EGAARM
Cc1c(C(=O)[O-])sc2ncn(CCCc3ccccc3)c(=O)c12	ZINC000019620850	212051906	/nfs/dbraw/zinc/05/19/06/212051906.db2.gz	UIPHPABINLIYAE-UHFFFAOYSA-N	-1	0	328.393	3.097	50	0		EGAARM
O=C([O-])[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1	ZINC000004809026	304172347	/nfs/dbraw/zinc/17/23/47/304172347.db2.gz	KRSNBCXIVHTAGJ-SFIVQVFOSA-N	-1	0	328.412	3.080	50	0		EGAARM
O=C([O-])c1ccccc1N[C@H]1SC(=O)N(c2ccc(F)cc2)C1=O	ZINC000012112987	211291032	/nfs/dbraw/zinc/29/10/32/211291032.db2.gz	GEHKKSXLHLHCTJ-ZDUSSCGKSA-N	-1	0	346.339	3.162	50	0		EGAARM
O=C([O-])c1ccccc1C(=O)Nc1cccc(OC[C@H]2CCCO2)c1	ZINC000010296433	211161464	/nfs/dbraw/zinc/16/14/64/211161464.db2.gz	HQUSBJMZYXBBOH-OAHLLOKOSA-N	-1	0	341.363	3.195	50	0		EGAARM
COc1cccc([N-]S(=O)(=O)c2ccc(-c3cc(C)[nH]n3)s2)c1	ZINC000009686395	211114167	/nfs/dbraw/zinc/11/41/67/211114167.db2.gz	UEDDOCYDKOXYGL-UHFFFAOYSA-N	-1	0	349.437	3.256	50	0		EGAARM
CCC[C@H](C)c1nnc([N-]S(=O)(=O)Cc2ccccc2)s1	ZINC000009096308	211040457	/nfs/dbraw/zinc/04/04/57/211040457.db2.gz	DLUFVRMQEYQDKW-NSHDSACASA-N	-1	0	325.459	3.384	50	0		EGAARM
CN(Cc1ccon1)[C@H](C(=O)[O-])c1cc(F)cc(C(F)(F)F)c1	ZINC000095361055	218294749	/nfs/dbraw/zinc/29/47/49/218294749.db2.gz	DYSABGVRNMODNJ-LBPRGKRZSA-N	-1	0	332.253	3.090	50	0		EGAARM
O=C([O-])c1cc(=O)c2c([nH]1)c(Br)ccc2C(F)(F)F	ZINC000097757466	304220470	/nfs/dbraw/zinc/22/04/70/304220470.db2.gz	PGCPJNGBRXWRCL-UHFFFAOYSA-N	-1	0	336.063	3.008	50	0		EGAARM
O=C([O-])c1ccc([C@@H]2CCCN(C(=O)COc3ccccc3)C2)cc1	ZINC000095383898	218315618	/nfs/dbraw/zinc/31/56/18/218315618.db2.gz	MCUBXVCQIIXJQX-QGZVFWFLSA-N	-1	0	339.391	3.170	50	0		EGAARM
COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2)cc1	ZINC000000037022	208554115	/nfs/dbraw/zinc/55/41/15/208554115.db2.gz	CBWWJKKIMHVAMZ-HNNXBMFYSA-N	-1	0	333.771	3.294	50	0		EGAARM
C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(=O)[O-])C(=O)N2Cc1ccccc1	ZINC000004770593	210273806	/nfs/dbraw/zinc/27/38/06/210273806.db2.gz	ACHKSQKUNCACKU-KNBMTAEXSA-N	-1	0	337.375	3.012	50	0		EGAARM
CCCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000004757010	210272917	/nfs/dbraw/zinc/27/29/17/210272917.db2.gz	HIJZQFVXBLRYHB-UHFFFAOYSA-N	-1	0	346.452	3.407	50	0		EGAARM
O=C([O-])c1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1	ZINC000000062553	304261088	/nfs/dbraw/zinc/26/10/88/304261088.db2.gz	LIARMWIEXVDOCD-UHFFFAOYSA-N	-1	0	336.130	3.492	50	0		EGAARM
O=C([O-])c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F	ZINC000000226840	304280241	/nfs/dbraw/zinc/28/02/41/304280241.db2.gz	XSJNLTMLNRRDMX-GHMZBOCLSA-N	-1	0	329.253	3.381	50	0		EGAARM
O=C([O-])[C@@]1(CCCc2ccccc2)CCCN(c2ncccn2)C1	ZINC000071524135	132814667	/nfs/dbraw/zinc/81/46/67/132814667.db2.gz	JRSOLBBEVZMJFX-IBGZPJMESA-N	-1	0	325.412	3.171	50	0		EGAARM
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](C(=O)[O-])Oc1ccccc12	ZINC000071257468	278383435	/nfs/dbraw/zinc/38/34/35/278383435.db2.gz	ORZDVRCNBGEZFG-HNNXBMFYSA-N	-1	0	347.411	3.191	50	0		EGAARM
COc1ccc(N2C(=O)CC[C@H](C(=O)[O-])[C@H]2c2ccccc2)cc1	ZINC000004092474	295155169	/nfs/dbraw/zinc/15/51/69/295155169.db2.gz	MNYJLXJYIKCRFL-FUHWJXTLSA-N	-1	0	325.364	3.264	50	0		EGAARM
COc1ccc(N2C(=O)CC[C@@H](C(=O)[O-])[C@H]2c2ccccc2)cc1	ZINC000004092472	295155298	/nfs/dbraw/zinc/15/52/98/295155298.db2.gz	MNYJLXJYIKCRFL-SJLPKXTDSA-N	-1	0	325.364	3.264	50	0		EGAARM
COc1ccccc1C1(C(=O)[O-])CCN(C(=O)OC(C)(C)C)CC1	ZINC000098213853	295356416	/nfs/dbraw/zinc/35/64/16/295356416.db2.gz	SJXGSVFAOLEMSN-UHFFFAOYSA-N	-1	0	335.400	3.049	50	0		EGAARM
Cc1cc(C)c2c(nn3c2nc(-c2ccccc2F)cc3C(=O)[O-])n1	ZINC000020615865	301213603	/nfs/dbraw/zinc/21/36/03/301213603.db2.gz	MOWBWYOKTVSLDG-UHFFFAOYSA-N	-1	0	336.326	3.399	50	0		EGAARM
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1nnc(-c2cccs2)s1	ZINC000000205185	452534970	/nfs/dbraw/zinc/53/49/70/452534970.db2.gz	HDGGCXFEJDMDNK-RKDXNWHRSA-N	-1	0	337.426	3.096	50	0		EGAARM
Cc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccco3)C2)cc1	ZINC000000376048	452574642	/nfs/dbraw/zinc/57/46/42/452574642.db2.gz	MZGUMYQOSWGQTD-HNNXBMFYSA-N	-1	0	326.352	3.131	50	0		EGAARM
Cc1cccc(NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)c1	ZINC000000425042	452587448	/nfs/dbraw/zinc/58/74/48/452587448.db2.gz	WTUPZYBOBLHKLX-UHFFFAOYSA-N	-1	0	339.420	3.396	50	0		EGAARM
COc1ccc(NC(=S)Nc2ccc(CC(=O)[O-])cc2)cc1OC	ZINC000000610967	452629428	/nfs/dbraw/zinc/62/94/28/452629428.db2.gz	FELIUCSGKAMBLF-UHFFFAOYSA-N	-1	0	346.408	3.140	50	0		EGAARM
COc1cc(/C=C/C(=O)[O-])ccc1OCc1cnc(Cl)s1	ZINC000001395357	452660561	/nfs/dbraw/zinc/66/05/61/452660561.db2.gz	ZPKQOZGAPCPKMD-HWKANZROSA-N	-1	0	325.773	3.482	50	0		EGAARM
Cc1ccc(S(=O)(=O)[N-]c2ccn(Cc3ccccc3C)n2)cc1	ZINC000002767801	452722344	/nfs/dbraw/zinc/72/23/44/452722344.db2.gz	JTMANLCMFAUUCH-UHFFFAOYSA-N	-1	0	341.436	3.349	50	0		EGAARM
Cc1cccc(Cn2ccc([N-]S(=O)(=O)c3cccs3)n2)c1	ZINC000002791435	452724196	/nfs/dbraw/zinc/72/41/96/452724196.db2.gz	CGVZKJJBYAHHQU-UHFFFAOYSA-N	-1	0	333.438	3.102	50	0		EGAARM
CCCCOC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1	ZINC000005707715	452897474	/nfs/dbraw/zinc/89/74/74/452897474.db2.gz	RNWXEXPNXAICBK-HOTGVXAUSA-N	-1	0	345.395	3.249	50	0		EGAARM
Cc1ccc(Cl)cc1NC(=O)CSc1ccc(C(=O)[O-])cn1	ZINC000006811580	452993646	/nfs/dbraw/zinc/99/36/46/452993646.db2.gz	ZTLCKBJATUVNQE-UHFFFAOYSA-N	-1	0	336.800	3.472	50	0		EGAARM
Cc1ccc(F)c(OC2(C(=O)[O-])CCN(c3ccncc3F)CC2)c1	ZINC000082107359	453924638	/nfs/dbraw/zinc/92/46/38/453924638.db2.gz	RPXZADDSDSSGKI-UHFFFAOYSA-N	-1	0	348.349	3.171	50	0		EGAARM
COc1ccc2cc(S(=O)(=O)[N-]c3ccccc3O)ccc2c1	ZINC000041091962	453955731	/nfs/dbraw/zinc/95/57/31/453955731.db2.gz	VWINBWSFHXUSRP-UHFFFAOYSA-N	-1	0	329.377	3.355	50	0		EGAARM
COc1cccc([N-]S(=O)(=O)c2ccc(-c3ccno3)s2)c1	ZINC000044902850	454125884	/nfs/dbraw/zinc/12/58/84/454125884.db2.gz	AOLUWWVYUFBAPH-UHFFFAOYSA-N	-1	0	336.394	3.213	50	0		EGAARM
CCOc1ccccc1[N-]S(=O)(=O)Cc1noc2ccccc12	ZINC000096124207	454289483	/nfs/dbraw/zinc/28/94/83/454289483.db2.gz	FVFPDRDQUIHUCM-UHFFFAOYSA-N	-1	0	332.381	3.168	50	0		EGAARM
CC(C)c1noc([C@H]2CCCCN2Cc2ncccc2C(=O)[O-])n1	ZINC000065373332	454555218	/nfs/dbraw/zinc/55/52/18/454555218.db2.gz	GKBWHTYDWXTCDE-CQSZACIVSA-N	-1	0	330.388	3.013	50	0		EGAARM
CO[C@H](C)CNc1c(C(=O)[O-])cnc2ccc(Br)cc21	ZINC000221979446	456045022	/nfs/dbraw/zinc/04/50/22/456045022.db2.gz	GQFLADCQCJHNDE-MRVPVSSYSA-N	-1	0	339.189	3.142	50	0		EGAARM
O=C([O-])COc1ccc(-c2cc(F)ccc2OC[C@@H]2CCOC2)cc1	ZINC000578338523	459185206	/nfs/dbraw/zinc/18/52/06/459185206.db2.gz	LQTIXJQKAMDZIW-CYBMUJFWSA-N	-1	0	346.354	3.371	50	0		EGAARM
CC(C)N(C(=O)c1ccccc1-c1cnn(C)c1C(=O)[O-])C(C)C	ZINC000534590252	459335939	/nfs/dbraw/zinc/33/59/39/459335939.db2.gz	LKAPWEUVCLWPNG-UHFFFAOYSA-N	-1	0	329.400	3.044	50	0		EGAARM
COc1cc(/C=C/C(=O)Nc2ccccc2C(=O)[O-])cc(OC)c1	ZINC000263623008	536874418	/nfs/dbraw/zinc/87/44/18/536874418.db2.gz	CUXSXIZNONCTII-BQYQJAHWSA-N	-1	0	327.336	3.054	50	0		EGAARM
O=C([O-])[C@H]1[C@@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]21	ZINC000253185489	568415500	/nfs/dbraw/zinc/41/55/00/568415500.db2.gz	PUSKDCKSDXNANI-DZFIZOCASA-N	-1	0	349.386	3.198	50	0		EGAARM
O=C([O-])C1(F)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000253182232	568415528	/nfs/dbraw/zinc/41/55/28/568415528.db2.gz	IJTNKSBPPIQONE-UHFFFAOYSA-N	-1	0	341.338	3.044	50	0		EGAARM
Cc1cc(NC(=O)CCC(=O)[O-])ccc1NC(=O)c1ccccc1	ZINC000000470186	1291020450	/nfs/dbraw/zinc/02/04/50/1291020450.db2.gz	MAPXNSIUWGRZKZ-UHFFFAOYSA-N	-1	0	326.352	3.051	50	0		EGAARM
O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)c1[n-]c(=O)nc2ccccc21	ZINC000032565134	1291380354	/nfs/dbraw/zinc/38/03/54/1291380354.db2.gz	ZQGJFQFISWZGOL-DOTOQJQBSA-N	-1	0	347.418	3.379	50	0		EGAARM
C[C@@H]1CN(c2noc(-c3ccc(Cl)cc3)c2C(=O)[O-])C[C@H](C)O1	ZINC001704307485	1416436647	/nfs/dbraw/zinc/43/66/47/1416436647.db2.gz	HKPQUADMYZHADU-AOOOYVTPSA-N	-1	0	336.775	3.307	50	0		EGAARM
COc1cc(OC)c(CN2CCC[C@H]2c2nccs2)c(C(=O)[O-])c1	ZINC000097674420	219046072	/nfs/dbraw/zinc/04/60/72/219046072.db2.gz	QGCCUIDBRNYJHD-AWEZNQCLSA-N	-1	0	348.424	3.196	50	0		EGAARM
CC(C)(C)n1ncc2c1NC(=O)CS[C@H]2c1ccc(C(=O)[O-])cc1	ZINC000049548954	214017349	/nfs/dbraw/zinc/01/73/49/214017349.db2.gz	HEJZJYLLWACIIW-AWEZNQCLSA-N	-1	0	345.424	3.111	50	0		EGAARM
Nc1nc(/C=C/c2c[nH]c3ccccc23)nc(-c2ccccc2[O-])n1	ZINC000004497983	210205074	/nfs/dbraw/zinc/20/50/74/210205074.db2.gz	VBNQKEPADBOKLQ-MDZDMXLPSA-N	-1	0	329.363	3.478	50	0		EGAARM
Cc1cc(C)c(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1C	ZINC000004305397	210165456	/nfs/dbraw/zinc/16/54/56/210165456.db2.gz	YIRKRCJUJNHYAP-INIZCTEOSA-N	-1	0	347.436	3.106	50	0		EGAARM
Cc1cc(C)c(S(=O)(=O)[N-]c2cccc3nsnc32)c(C)c1	ZINC000004001631	210098967	/nfs/dbraw/zinc/09/89/67/210098967.db2.gz	OZYYEJKEHJDVKI-UHFFFAOYSA-N	-1	0	333.438	3.417	50	0		EGAARM
COc1ccc(CN2C(=O)CC[C@H](C(=O)[O-])[C@H]2c2ccccc2)cc1	ZINC000003855954	210079935	/nfs/dbraw/zinc/07/99/35/210079935.db2.gz	DXPXRAGPKFGOQD-PKOBYXMFSA-N	-1	0	339.391	3.260	50	0		EGAARM
CC(=O)c1ccc(-n2c(SCC(=O)[O-])nnc2[C@H]2CC2(C)C)cc1	ZINC000067513663	215155760	/nfs/dbraw/zinc/15/57/60/215155760.db2.gz	MFRCZTNBNOMPKF-CYBMUJFWSA-N	-1	0	345.424	3.160	50	0		EGAARM
Cc1cccc(-n2c(SCC(=O)[O-])nnc2[C@H](C)OC(C)C)c1	ZINC000067643249	215172454	/nfs/dbraw/zinc/17/24/54/215172454.db2.gz	RWSWXXLEVOAXOT-LBPRGKRZSA-N	-1	0	335.429	3.238	50	0		EGAARM
C[C@H](C(=O)[O-])n1nc(C(F)(F)F)c(Br)c1C1CC1	ZINC000002549596	209866046	/nfs/dbraw/zinc/86/60/46/209866046.db2.gz	NJGIZAQGXBXLJL-SCSAIBSYSA-N	-1	0	327.100	3.187	50	0		EGAARM
CCCCc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000002079174	209817068	/nfs/dbraw/zinc/81/70/68/209817068.db2.gz	DDSYBTJDTIFTQI-GOSISDBHSA-N	-1	0	325.408	3.455	50	0		EGAARM
O=C([O-])C1(CCCc2ccccc2)CCN(c2ncccn2)CC1	ZINC000071764210	304029667	/nfs/dbraw/zinc/02/96/67/304029667.db2.gz	JZPQGYIABQNDEX-UHFFFAOYSA-N	-1	0	325.412	3.171	50	0		EGAARM
O=C([O-])C1(Oc2ccc3ccccc3c2)CCN(c2ncccn2)CC1	ZINC000072432631	304034752	/nfs/dbraw/zinc/03/47/52/304034752.db2.gz	GZFWSMWWJFLGLV-UHFFFAOYSA-N	-1	0	349.390	3.132	50	0		EGAARM
Cc1nc(-c2ccccc2)sc1C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000040268457	213287257	/nfs/dbraw/zinc/28/72/57/213287257.db2.gz	GOYZEFHUAUDVEX-CYBMUJFWSA-N	-1	0	330.409	3.055	50	0		EGAARM
O=C([O-])[C@H](NC(=O)Cn1ccc2cc(Cl)ccc21)c1ccccc1	ZINC000071279106	215749067	/nfs/dbraw/zinc/74/90/67/215749067.db2.gz	OGEWIIVRGSUDLB-QGZVFWFLSA-N	-1	0	342.782	3.237	50	0		EGAARM
Cc1ccn(-c2ccc(NC(=O)Cc3ccccc3C(=O)[O-])cc2)n1	ZINC000071287259	215754701	/nfs/dbraw/zinc/75/47/01/215754701.db2.gz	WNEUFFXCHVLGDP-UHFFFAOYSA-N	-1	0	335.363	3.060	50	0		EGAARM
O=C([O-])C1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1	ZINC000035287485	213017787	/nfs/dbraw/zinc/01/77/87/213017787.db2.gz	NEQLVBPHUSLUJK-UHFFFAOYSA-N	-1	0	339.391	3.442	50	0		EGAARM
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC3(C=Cc4ccccc43)CC2)C1	ZINC000097527884	295986499	/nfs/dbraw/zinc/98/64/99/295986499.db2.gz	ZIFFZTPTAWHJKM-JKSUJKDBSA-N	-1	0	325.408	3.075	50	0		EGAARM
O=C([O-])C[C@H]1CCCCN1C(=O)Cc1ccccc1C(F)(F)F	ZINC000219972300	304082527	/nfs/dbraw/zinc/08/25/27/304082527.db2.gz	DJVRSQFPGGZGEI-GFCCVEGCSA-N	-1	0	329.318	3.104	50	0		EGAARM
CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccccc1C(=O)[O-]	ZINC000000334166	209540112	/nfs/dbraw/zinc/54/01/12/209540112.db2.gz	PAVWTDUNYDCQOC-UHFFFAOYSA-N	-1	0	347.392	3.492	50	0		EGAARM
CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C)cc2)cc1	ZINC000000116244	209431313	/nfs/dbraw/zinc/43/13/13/209431313.db2.gz	ZGZPAUNBYNFRSU-QGZVFWFLSA-N	-1	0	327.380	3.340	50	0		EGAARM
N=C1NC(=O)/C(=C\c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)S1	ZINC000023128353	212352872	/nfs/dbraw/zinc/35/28/72/212352872.db2.gz	WMNNURLQLGVKAQ-WUXMJOGZSA-N	-1	0	348.767	3.437	50	0		EGAARM
C[C@@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])C12CC3CC(CC(C3)C1)C2	ZINC000004019411	296100497	/nfs/dbraw/zinc/10/04/97/296100497.db2.gz	LWNFGAHZGNWAKY-VXLPUBFQSA-N	-1	0	331.456	3.375	50	0		EGAARM
Cn1ncc(C(=O)[O-])c1C(=O)Nc1ccc(Oc2ccccc2)cc1	ZINC000020614703	212154748	/nfs/dbraw/zinc/15/47/48/212154748.db2.gz	SWPRJWHIUUYCIS-UHFFFAOYSA-N	-1	0	337.335	3.163	50	0		EGAARM
CCCN1CNc2c(c(=O)[n-]c(=S)n2-c2cccc(C)c2C)C1	ZINC000019939120	212087426	/nfs/dbraw/zinc/08/74/26/212087426.db2.gz	ZJWBTIPSOQFXIS-UHFFFAOYSA-N	-1	0	330.457	3.107	50	0		EGAARM
CC(C)Oc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccccc2)cc1	ZINC000012401644	211368360	/nfs/dbraw/zinc/36/83/60/211368360.db2.gz	GYWOTQOWVVWYIX-KRWDZBQOSA-N	-1	0	327.380	3.420	50	0		EGAARM
O=C([O-])c1ccc(N[C@@H]2SC(=O)N(c3ccc(F)cc3)C2=O)cc1	ZINC000012112970	211290526	/nfs/dbraw/zinc/29/05/26/211290526.db2.gz	KZKOSKQOSSSTDT-CYBMUJFWSA-N	-1	0	346.339	3.162	50	0		EGAARM
CC[C@H](C)C1C(=O)N=C(SCC(=O)Nc2ccccc2C)N=C1[O-]	ZINC000009348957	211072009	/nfs/dbraw/zinc/07/20/09/211072009.db2.gz	BBKHYBKUUIMVBK-JTQLQIEISA-N	-1	0	347.440	3.028	50	0		EGAARM
Cc1n[nH]c(C)c1CN(C)[C@H](C(=O)[O-])c1c(F)cccc1OC(C)C	ZINC000095359036	218292215	/nfs/dbraw/zinc/29/22/15/218292215.db2.gz	KVXFGPQDMSXGLZ-KRWDZBQOSA-N	-1	0	349.406	3.211	50	0		EGAARM
COCc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)o1	ZINC000095386027	218317924	/nfs/dbraw/zinc/31/79/24/218317924.db2.gz	YZEJSBILYMJBEP-OAHLLOKOSA-N	-1	0	343.379	3.144	50	0		EGAARM
Cc1ccc2nc(C)cc(C(=O)N(C)[C@H](C(=O)[O-])c3cccnc3)c2c1	ZINC000095529863	218432334	/nfs/dbraw/zinc/43/23/34/218432334.db2.gz	GUTHJUYKLZKSID-SFHVURJKSA-N	-1	0	349.390	3.145	50	0		EGAARM
CC[C@@H](C)[C@H](NC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)[O-]	ZINC000005138128	210397953	/nfs/dbraw/zinc/39/79/53/210397953.db2.gz	WUJIUOWQTOPWOO-PBHICJAKSA-N	-1	0	332.444	3.150	50	0		EGAARM
CCCn1cnc2c1cc(C)c(C)c2[N-]S(=O)(=O)C(F)(F)F	ZINC000001391845	452658390	/nfs/dbraw/zinc/65/83/90/452658390.db2.gz	LVTAKXXPWRLYDY-UHFFFAOYSA-N	-1	0	335.351	3.325	50	0		EGAARM
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](C(=O)[O-])c1ccccc1O2	ZINC000051943394	278383379	/nfs/dbraw/zinc/38/33/79/278383379.db2.gz	KFYDPTLAMZWDGO-AWEZNQCLSA-N	-1	0	347.411	3.407	50	0		EGAARM
CC[C@]1(C)Cc2ccccc2-c2nc3[n-]nc(SC)n3c(=O)c21	ZINC000101011952	288469351	/nfs/dbraw/zinc/46/93/51/288469351.db2.gz	IDAIYOGKTHRVKA-QGZVFWFLSA-N	-1	0	326.425	3.030	50	0		EGAARM
C[C@H]1CCc2c(sc3[n-]c(=S)n(C[C@H]4CCCO4)c(=O)c23)C1	ZINC000006420522	300088034	/nfs/dbraw/zinc/08/80/34/300088034.db2.gz	RGQKPVWWDPDHER-VHSXEESVSA-N	-1	0	336.482	3.424	50	0		EGAARM
Cc1cc(C)c2c(n1)sc1c2ncnc1N1CCC(C(=O)[O-])CC1	ZINC000040478772	301213375	/nfs/dbraw/zinc/21/33/75/301213375.db2.gz	FLWOJIXERGKOFD-UHFFFAOYSA-N	-1	0	342.424	3.157	50	0		EGAARM
Cc1noc([N-]S(=O)(=O)c2cccc3c2cccc3N(C)C)c1C	ZINC000000005803	452491281	/nfs/dbraw/zinc/49/12/81/452491281.db2.gz	MJRGSRRZKSJHOE-UHFFFAOYSA-N	-1	0	345.424	3.311	50	0	in-vitro	EGAARM
O=S(=O)([N-]c1ccc(Br)cn1)c1ccc(Cl)cc1	ZINC000000272197	452553069	/nfs/dbraw/zinc/55/30/69/452553069.db2.gz	PLNLBJSKSQOTJN-UHFFFAOYSA-N	-1	0	347.621	3.298	50	0		EGAARM
O=C([O-])c1cccc(-n2c(=O)c3ccc(Cl)cc3[nH]c2=S)c1	ZINC000000424137	452587659	/nfs/dbraw/zinc/58/76/59/452587659.db2.gz	GVYVEEDQVHWPJD-UHFFFAOYSA-N	-1	0	332.768	3.400	50	0		EGAARM
Cc1cccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)c1C	ZINC000001302597	452653017	/nfs/dbraw/zinc/65/30/17/452653017.db2.gz	ZDQUXCITIDMXPE-UHFFFAOYSA-N	-1	0	334.375	3.132	50	0		EGAARM
Cc1cc2c(ncn2Cc2ccccc2)c([N-]S(C)(=O)=O)c1C	ZINC000001385898	452658355	/nfs/dbraw/zinc/65/83/55/452658355.db2.gz	RHYYIIBUXGVRNI-UHFFFAOYSA-N	-1	0	329.425	3.073	50	0		EGAARM
COc1ccc(NC(=O)[C@@H](SCC(=O)[O-])c2ccccc2)cc1	ZINC000001402923	452661755	/nfs/dbraw/zinc/66/17/55/452661755.db2.gz	OVIPXACIEVHQEK-INIZCTEOSA-N	-1	0	331.393	3.193	50	0		EGAARM
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2c[nH]nc21	ZINC000001427072	452663385	/nfs/dbraw/zinc/66/33/85/452663385.db2.gz	SIPKETOQDQABRO-UHFFFAOYSA-N	-1	0	337.788	3.026	50	0		EGAARM
O=S(=O)([N-]c1cccc2[nH]cnc21)c1ccc(F)c(Cl)c1	ZINC000001428969	452663567	/nfs/dbraw/zinc/66/35/67/452663567.db2.gz	WSUWVHHMECGECL-UHFFFAOYSA-N	-1	0	325.752	3.156	50	0		EGAARM
O=C([O-])CCO[C@@H](Cc1cnccn1)c1ccc(C(F)(F)F)cc1	ZINC000001495014	452668467	/nfs/dbraw/zinc/66/84/67/452668467.db2.gz	AFMLTUYQSBFOMQ-AWEZNQCLSA-N	-1	0	340.301	3.271	50	0		EGAARM
COc1ccc(NC(=O)CSCc2ccc(C(=O)[O-])cc2)cc1	ZINC000001892660	452681433	/nfs/dbraw/zinc/68/14/33/452681433.db2.gz	BHMZHEGEJQHABO-UHFFFAOYSA-N	-1	0	331.393	3.265	50	0		EGAARM
O=C([O-])Cc1ccccc1C(=O)Nc1cccc(Br)c1	ZINC000002381048	452695131	/nfs/dbraw/zinc/69/51/31/452695131.db2.gz	AEEHRAJZTHLHTH-UHFFFAOYSA-N	-1	0	334.169	3.329	50	0		EGAARM
CCCCc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000002685254	452714662	/nfs/dbraw/zinc/71/46/62/452714662.db2.gz	AJISVEXLPBAKLT-UHFFFAOYSA-N	-1	0	349.408	3.234	50	0		EGAARM
Cc1cc(O[C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)ccc1Cl	ZINC000002760168	452720092	/nfs/dbraw/zinc/72/00/92/452720092.db2.gz	NTPZHOQMUKXCBG-LBPRGKRZSA-N	-1	0	347.798	3.430	50	0		EGAARM
COC(Cc1n[n-]c(=S)n1-c1cccc(C(F)(F)F)c1)OC	ZINC000005701493	452895176	/nfs/dbraw/zinc/89/51/76/452895176.db2.gz	PUWRFFUPZVWOFU-UHFFFAOYSA-N	-1	0	333.335	3.110	50	0		EGAARM
O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCC(Cc2ccccc2)CC1	ZINC000006338628	452937555	/nfs/dbraw/zinc/93/75/55/452937555.db2.gz	XOKBMWSDZRZJOZ-MSOLQXFVSA-N	-1	0	329.440	3.359	50	0		EGAARM
COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc2ccccc2c1	ZINC000006706418	452973524	/nfs/dbraw/zinc/97/35/24/452973524.db2.gz	AVHWGBCYPUSDMV-UHFFFAOYSA-N	-1	0	347.417	3.489	50	0		EGAARM
O=C([O-])c1cc2ccccc2cc1NS(=O)(=O)c1ccc(F)cc1	ZINC000013262988	453456043	/nfs/dbraw/zinc/45/60/43/453456043.db2.gz	VOAHLYLBMHCXON-UHFFFAOYSA-N	-1	0	345.351	3.478	50	0		EGAARM
Cn1cc(Cn2c(=O)c3c4c(sc3[n-]c2=S)CCCCC4)cn1	ZINC000017072167	453628924	/nfs/dbraw/zinc/62/89/24/453628924.db2.gz	HMKBNRXHKWLVHS-UHFFFAOYSA-N	-1	0	346.481	3.171	50	0		EGAARM
COc1cc(OC)c(C(=O)CCC(=O)[O-])cc1Cc1ccccc1	ZINC000033882884	453917602	/nfs/dbraw/zinc/91/76/02/453917602.db2.gz	UDUACPUPFFGOMC-UHFFFAOYSA-N	-1	0	328.364	3.342	50	0		EGAARM
O=C([O-])C(F)(F)CNC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000044122486	454089119	/nfs/dbraw/zinc/08/91/19/454089119.db2.gz	HOZFQTTWTYZFHA-UHFFFAOYSA-N	-1	0	347.317	3.245	50	0		EGAARM
CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cc(C)ccn1	ZINC000095946079	454235407	/nfs/dbraw/zinc/23/54/07/454235407.db2.gz	DCCMSLKTMZAJNT-UHFFFAOYSA-N	-1	0	348.468	3.309	50	0		EGAARM
CC(C)c1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)[O-])cc1	ZINC000096511548	454374075	/nfs/dbraw/zinc/37/40/75/454374075.db2.gz	GYIRBQRMGQBACR-UHFFFAOYSA-N	-1	0	339.438	3.395	50	0		EGAARM
C[C@H](NC(=O)c1csc([N-]c2ncccn2)n1)c1ccccc1	ZINC000049032171	454529171	/nfs/dbraw/zinc/52/91/71/454529171.db2.gz	CWCUNRUDMJKSIC-NSHDSACASA-N	-1	0	325.397	3.168	50	0		EGAARM
C[C@@H]1Cc2cccc3c2n1c(=O)c(C(=O)NCC1CCCCC1)c3[O-]	ZINC000170624708	454944442	/nfs/dbraw/zinc/94/44/42/454944442.db2.gz	DWAUMCOBMRABOE-GFCCVEGCSA-N	-1	0	340.423	3.134	50	0		EGAARM
O=C([O-])[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]2C[C@H]21	ZINC000725240383	563973683	/nfs/dbraw/zinc/97/36/83/563973683.db2.gz	ASRYHUYFNSHKKU-SCTDSRPQSA-N	-1	0	349.386	3.340	50	0		EGAARM
CCOc1cccc(CNc2nnn[n-]2)c1OCc1ccc(C)cc1	ZINC000004999771	1423449659	/nfs/dbraw/zinc/44/96/59/1423449659.db2.gz	KWZNWCPCRAXELC-UHFFFAOYSA-N	-1	0	339.399	3.098	50	0		EGAARM
C[C@@H]1CCc2c(C(=O)Nc3cccc(-c4nn[n-]n4)c3)csc2C1	ZINC000006698803	1423953738	/nfs/dbraw/zinc/95/37/38/1423953738.db2.gz	SWUIXMKMPSGZMS-SNVBAGLBSA-N	-1	0	339.424	3.305	50	0		EGAARM
COc1cc(OC)c(CN2CCC[C@@H]2c2nccs2)c(C(=O)[O-])c1	ZINC000097674419	219046259	/nfs/dbraw/zinc/04/62/59/219046259.db2.gz	QGCCUIDBRNYJHD-CQSZACIVSA-N	-1	0	348.424	3.196	50	0		EGAARM
COc1ccc([C@H](CC(=O)[O-])NC(=O)Nc2ccccc2)cc1OC	ZINC000004689400	210249683	/nfs/dbraw/zinc/24/96/83/210249683.db2.gz	DFAWTADXHFXKQQ-AWEZNQCLSA-N	-1	0	344.367	3.041	50	0		EGAARM
CCCCCc1nnc([N-]S(=O)(=O)c2ccc(F)cc2)s1	ZINC000004499998	210205160	/nfs/dbraw/zinc/20/51/60/210205160.db2.gz	GDKOMQBZOXNBBJ-UHFFFAOYSA-N	-1	0	329.422	3.211	50	0		EGAARM
CCn1c(=O)c(C(=O)Nc2ccc(Cl)cn2)c([O-])c2ccccc21	ZINC000100448383	219099656	/nfs/dbraw/zinc/09/96/56/219099656.db2.gz	OAEZNIMNXRWFDX-UHFFFAOYSA-N	-1	0	343.770	3.028	50	0		EGAARM
CCn1c2ccsc2c([O-])c(C(=O)Nc2ccccc2OC)c1=O	ZINC000049409518	214006395	/nfs/dbraw/zinc/00/63/95/214006395.db2.gz	DKMWEFCSXLYEIF-UHFFFAOYSA-N	-1	0	344.392	3.049	50	0		EGAARM
Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(C)c(C)c4)c=3c2=O)c1	ZINC000101261276	219119501	/nfs/dbraw/zinc/11/95/01/219119501.db2.gz	JXCOJGZDNDGPNS-MSOLQXFVSA-N	-1	0	348.406	3.418	50	0		EGAARM
COc1ccccc1-c1nc(SCc2ccc(C(=O)[O-])cc2)n[nH]1	ZINC000004019287	210101138	/nfs/dbraw/zinc/10/11/38/210101138.db2.gz	OVNTYFIQXSCCBH-UHFFFAOYSA-N	-1	0	341.392	3.471	50	0		EGAARM
O=C([O-])CN(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1	ZINC000066349276	215035723	/nfs/dbraw/zinc/03/57/23/215035723.db2.gz	MZYHCMVDZHPUST-UHFFFAOYSA-N	-1	0	337.375	3.485	50	0		EGAARM
COc1ccc([C@@H]2Nc3nonc3N=C3CCCC(=O)C32)cc1O	ZINC000102742517	219226333	/nfs/dbraw/zinc/22/63/33/219226333.db2.gz	UKKOLJIANPMKNT-AWEZNQCLSA-N	-1	0	328.328	3.019	50	0		EGAARM
Cc1c(C(=O)[O-])sc2ncnc(N[C@H](C)Cc3ncccc3C)c12	ZINC000067541950	215159588	/nfs/dbraw/zinc/15/95/88/215159588.db2.gz	IUPMFERLPVKNSL-SNVBAGLBSA-N	-1	0	342.424	3.444	50	0		EGAARM
Cc1c(C(=O)[O-])sc2ncnc(N[C@H](c3nccn3C)C(C)C)c12	ZINC000067821231	215221083	/nfs/dbraw/zinc/22/10/83/215221083.db2.gz	ZXFCLAGSQRSRHF-NSHDSACASA-N	-1	0	345.428	3.241	50	0		EGAARM
Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2)nn1	ZINC000038670851	213219018	/nfs/dbraw/zinc/21/90/18/213219018.db2.gz	UVFNYJYXZFYATB-UHFFFAOYSA-N	-1	0	347.421	3.440	50	0		EGAARM
CC(=O)N1[C@H](c2ccccc2)c2[nH]c3ccccc3c2C[C@H]1C(=O)[O-]	ZINC000000586549	209672438	/nfs/dbraw/zinc/67/24/38/209672438.db2.gz	RKISQQCZJAUBPR-PKOBYXMFSA-N	-1	0	334.375	3.115	50	0	biogenic	EGAARM
CC(C)(O)c1ccc2c(c1)[C@H](O)C[C@H]1[C@](C)(C(=O)[O-])CCC[C@]21C	ZINC000038230161	213205854	/nfs/dbraw/zinc/20/58/54/213205854.db2.gz	ALGYTGOYQATWBA-XNFNUYLZSA-N	-1	0	332.440	3.500	50	0	biogenic	EGAARM
CCc1cnc(C)nc1N1CC[C@H](Cc2cccc(C(=O)[O-])c2)C1	ZINC000072148645	216036228	/nfs/dbraw/zinc/03/62/28/216036228.db2.gz	XLGCYWSTQIETKX-OAHLLOKOSA-N	-1	0	325.412	3.115	50	0		EGAARM
O=C([O-])c1ccccc1[C@@H]1CCN(C(=O)c2ccc3cc[nH]c3c2)C1	ZINC000072156653	216045833	/nfs/dbraw/zinc/04/58/33/216045833.db2.gz	VNRJTMXLMLKGKB-OAHLLOKOSA-N	-1	0	334.375	3.496	50	0		EGAARM
COc1c2c(c(C)c(OC)c1C/C=C(\C)CCC(=O)[O-])COC2=O	ZINC000028824028	212638969	/nfs/dbraw/zinc/63/89/69/212638969.db2.gz	KPDDZPBBEIESMK-BJMVGYQFSA-N	-1	0	334.368	3.036	50	0	biogenic,in-vitro	EGAARM
Cc1cc(C)c(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c(C)c1	ZINC000000181229	209469464	/nfs/dbraw/zinc/46/94/64/209469464.db2.gz	GZZODOOCSPMUJP-INIZCTEOSA-N	-1	0	347.436	3.106	50	0		EGAARM
O=C([O-])c1ccc([C@@H]2CC(=O)Nc3c2cnn3Cc2ccco2)cc1	ZINC000072404774	216196268	/nfs/dbraw/zinc/19/62/68/216196268.db2.gz	FOUWRISARMPHLK-AWEZNQCLSA-N	-1	0	337.335	3.346	50	0		EGAARM
O=C([O-])C1(Oc2ccccc2F)CCN(C(=O)c2ccsc2)CC1	ZINC000072430873	216224026	/nfs/dbraw/zinc/22/40/26/216224026.db2.gz	SJDJBIAPBSMJRE-UHFFFAOYSA-N	-1	0	349.383	3.026	50	0		EGAARM
O=C(CCn1ccc2ccccc21)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000245255209	243100876	/nfs/dbraw/zinc/10/08/76/243100876.db2.gz	GCMZMACLZFMPRB-KOMQPUFPSA-N	-1	0	328.412	3.039	50	0		EGAARM
C[C@]12CC(=O)[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1CC[C@H]2C(=O)[O-]	ZINC000253591338	244029419	/nfs/dbraw/zinc/02/94/19/244029419.db2.gz	QAANIDZFOKGZHZ-JARKONOUSA-N	-1	0	334.456	3.270	50	0		EGAARM
C[C@@]12[C@@H](C(=O)[O-])CC[C@H]1[C@H]1CC[C@H]3C[C@H](O)CC[C@]3(C)[C@@H]1C[C@H]2O	ZINC000257356682	244584029	/nfs/dbraw/zinc/58/40/29/244584029.db2.gz	JQJFMOYALOFIJZ-LFELOCEJSA-N	-1	0	336.472	3.062	50	0		EGAARM
O=C([O-])[C@H](Cc1ccccc1)N1C(=O)c2cccc3cccc(c32)C1=O	ZINC000003900907	304171552	/nfs/dbraw/zinc/17/15/52/304171552.db2.gz	SJGFGXSJCPZIMK-KRWDZBQOSA-N	-1	0	345.354	3.132	50	0		EGAARM
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1F	ZINC000013323796	304175736	/nfs/dbraw/zinc/17/57/36/304175736.db2.gz	NMUZNZIRSVKYPZ-UWVGGRQHSA-N	-1	0	331.265	3.450	50	0		EGAARM
CCCCNC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1	ZINC000012403819	211369477	/nfs/dbraw/zinc/36/94/77/211369477.db2.gz	KERRPESALMNMIU-HZPDHXFCSA-N	-1	0	346.427	3.046	50	0		EGAARM
CCCc1nc(Nc2ccc(F)cc2)[n-]c(=O)c1Br	ZINC000011904230	211266845	/nfs/dbraw/zinc/26/68/45/211266845.db2.gz	QPNWQRHVSZLLJK-UHFFFAOYSA-N	-1	0	326.169	3.368	50	0		EGAARM
Cc1nc(C)c(C(=O)N2C[C@@H](c3ccccc3C)[C@H](C(=O)[O-])C2)s1	ZINC000091657012	218042124	/nfs/dbraw/zinc/04/21/24/218042124.db2.gz	MDODMUUVANQNDY-LSDHHAIUSA-N	-1	0	344.436	3.009	50	0		EGAARM
CCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2c(F)ccc(OC)c2F)C1	ZINC000091896250	218085480	/nfs/dbraw/zinc/08/54/80/218085480.db2.gz	CYHOQHWORCAXKU-QGZVFWFLSA-N	-1	0	341.354	3.081	50	0		EGAARM
COc1ccc2nc([N-]c3ncc4c(n3)C[C@@H](C)CC4=O)nc(C)c2c1	ZINC000010157463	211151974	/nfs/dbraw/zinc/15/19/74/211151974.db2.gz	CZXXMDVNOPICAD-SNVBAGLBSA-N	-1	0	349.394	3.245	50	0		EGAARM
CC(C)C(=O)Nc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1	ZINC000009231696	211056996	/nfs/dbraw/zinc/05/69/96/211056996.db2.gz	MMZYHOUDUFRKGY-HUUCEWRRSA-N	-1	0	332.400	3.111	50	0		EGAARM
O=C([O-])c1ccc(COc2ccc(I)cc2)o1	ZINC000000133379	304244076	/nfs/dbraw/zinc/24/40/76/304244076.db2.gz	PKQGNEQSBCKQOG-UHFFFAOYSA-N	-1	0	344.104	3.161	50	0		EGAARM
O=C([O-])[C@H](CC(=O)Nc1ccc2ccccc2c1)NCc1ccco1	ZINC000004939767	210331258	/nfs/dbraw/zinc/33/12/58/210331258.db2.gz	HYHVNFKWYJUFHG-KRWDZBQOSA-N	-1	0	338.363	3.004	50	0		EGAARM
COc1ccc(CC(=O)Nc2cc(Cl)ccc2C(=O)[O-])cc1OC	ZINC000004819756	210286481	/nfs/dbraw/zinc/28/64/81/210286481.db2.gz	POSXBZHZCIJVBV-UHFFFAOYSA-N	-1	0	349.770	3.237	50	0		EGAARM
O=C([N-]c1nnc(-c2ccc(Cl)cc2F)s1)c1csnn1	ZINC000334162060	258015942	/nfs/dbraw/zinc/01/59/42/258015942.db2.gz	IYRGJHVEDMFVGH-UHFFFAOYSA-N	-1	0	341.780	3.101	50	0		EGAARM
CC(C)(C)OC(=O)N1CCC2(CC(=O)c3ccc(C(=O)[O-])cc32)CC1	ZINC000091302825	278383092	/nfs/dbraw/zinc/38/30/92/278383092.db2.gz	RQYNVQFRINEPMB-UHFFFAOYSA-N	-1	0	345.395	3.240	50	0		EGAARM
CC(C)C[C@H](C(=O)[O-])N1C(=O)c2cc(Cl)c(Cl)cc2C1=O	ZINC000000191467	279076715	/nfs/dbraw/zinc/07/67/15/279076715.db2.gz	TWODTUQFHQPSOV-LLVKDONJSA-N	-1	0	330.167	3.089	50	0		EGAARM
O=C1NC(=O)C(=Cc2cc(Cl)cc(Br)c2[O-])S1	ZINC000033326262	280277827	/nfs/dbraw/zinc/27/78/27/280277827.db2.gz	MQHNNWACZDZXIP-UQCOIBPSSA-N	-1	0	334.578	3.132	50	0		EGAARM
COc1ccc(N2C(=O)c3cccc4c(C(=O)[O-])ccc(c43)C2=O)cc1	ZINC000004785848	295156021	/nfs/dbraw/zinc/15/60/21/295156021.db2.gz	PPDBNHDAKFVCLY-UHFFFAOYSA-N	-1	0	347.326	3.347	50	0		EGAARM
COc1ccccc1-c1cc(C(F)(F)F)n2ncc(C(=O)[O-])c2n1	ZINC000004826424	295344231	/nfs/dbraw/zinc/34/42/31/295344231.db2.gz	GFSKUFPQRIQWMU-UHFFFAOYSA-N	-1	0	337.257	3.122	50	0		EGAARM
COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)[O-])c3n2)cc1	ZINC000000275882	452552382	/nfs/dbraw/zinc/55/23/82/452552382.db2.gz	RAQDYXSUXDKBDZ-UHFFFAOYSA-N	-1	0	337.257	3.122	50	0		EGAARM
Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccccc1Cl	ZINC000000309798	452560625	/nfs/dbraw/zinc/56/06/25/452560625.db2.gz	RBMRNXYONHZZDA-UHFFFAOYSA-N	-1	0	348.811	3.473	50	0		EGAARM
O=C([O-])CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2	ZINC000000309017	452561061	/nfs/dbraw/zinc/56/10/61/452561061.db2.gz	WHQDMFAAGYYEIY-UHFFFAOYSA-N	-1	0	340.326	3.438	50	0		EGAARM
O=C([O-])[C@H](CSc1ccccc1)NC(=O)OCc1ccccc1	ZINC000000403485	452578860	/nfs/dbraw/zinc/57/88/60/452578860.db2.gz	ISBOGFMUFMJWEP-HNNXBMFYSA-N	-1	0	331.393	3.158	50	0	in-vitro	EGAARM
O=C([O-])c1ccc(COc2ccc(Br)cc2CO)cc1	ZINC000000470970	452601971	/nfs/dbraw/zinc/60/19/71/452601971.db2.gz	RIOXSBAHPNYNOV-UHFFFAOYSA-N	-1	0	337.169	3.219	50	0		EGAARM
CC(=O)c1cccc(NC(=S)NCc2ccc(C(=O)[O-])cc2)c1	ZINC000000611718	452631563	/nfs/dbraw/zinc/63/15/63/452631563.db2.gz	UWMNXGUWJMFSQC-UHFFFAOYSA-N	-1	0	328.393	3.074	50	0		EGAARM
Cc1nn(CCCn2c(=O)c3ccccc3[n-]c2=S)c(C)c1Cl	ZINC000002554066	452704887	/nfs/dbraw/zinc/70/48/87/452704887.db2.gz	KLCIIZIMUQBWHH-UHFFFAOYSA-N	-1	0	348.859	3.242	50	0		EGAARM
CCOc1cccc(OCCOCCOc2ccc(C(=O)[O-])cc2)c1	ZINC000002985654	452737696	/nfs/dbraw/zinc/73/76/96/452737696.db2.gz	LXJZMLQEPHPULL-UHFFFAOYSA-N	-1	0	346.379	3.258	50	0		EGAARM
CC(C)=CCC[C@]1(C)OC(=O)N(CCCCCC(=O)[O-])[C@@]1(C)O	ZINC000004143415	452794950	/nfs/dbraw/zinc/79/49/50/452794950.db2.gz	JYNJXJGAWYBQLR-IRXDYDNUSA-N	-1	0	327.421	3.297	50	0		EGAARM
O=C([O-])Cc1cc(Cl)c2oc(-c3ccccc3)c(O)c(=O)c2c1	ZINC000005902195	452909082	/nfs/dbraw/zinc/90/90/82/452909082.db2.gz	SEPPGMWKNCBTCP-UHFFFAOYSA-N	-1	0	330.723	3.446	50	0		EGAARM
O=C([O-])c1ccccc1N[C@@H]1SC(=O)N(Cc2ccccc2)C1=O	ZINC000006590766	452958738	/nfs/dbraw/zinc/95/87/38/452958738.db2.gz	LAAOCNMXKBSXQM-CQSZACIVSA-N	-1	0	342.376	3.018	50	0		EGAARM
O=C([O-])c1cc(N2C(=S)N=NC2c2ccccc2O)ccc1Cl	ZINC000006659250	452964676	/nfs/dbraw/zinc/96/46/76/452964676.db2.gz	IRZPDYGEGYGNAE-UHFFFAOYSA-N	-1	0	347.783	3.280	50	0		EGAARM
C[C@H](Sc1nnc(-c2ccccc2O)n1-c1ccccc1)C(=O)[O-]	ZINC000006670352	452966389	/nfs/dbraw/zinc/96/63/89/452966389.db2.gz	YYNPQUDMCKOEFV-NSHDSACASA-N	-1	0	341.392	3.205	50	0		EGAARM
O=C([O-])[C@@H]1CCCN(C(=O)c2ccccc2COc2ccccc2)C1	ZINC000013171083	453451425	/nfs/dbraw/zinc/45/14/25/453451425.db2.gz	HBRHVWJESVUSQM-OAHLLOKOSA-N	-1	0	339.391	3.202	50	0		EGAARM
Cc1ccc(S(=O)(=O)[N-]C(=O)O[C@@H]2C[C@H]3C[C@@H]2[C@@H]2C=CC[C@@H]32)cc1	ZINC000013401106	453463353	/nfs/dbraw/zinc/46/33/53/453463353.db2.gz	IABLGVHYLVGUFH-GWZLXJJCSA-N	-1	0	347.436	3.011	50	0		EGAARM
COc1ccc(-c2nnc(SCC(=O)[O-])c3ccccc32)cc1	ZINC000019861999	453659734	/nfs/dbraw/zinc/65/97/34/453659734.db2.gz	URGPAFUJTIESRA-UHFFFAOYSA-N	-1	0	326.377	3.482	50	0		EGAARM
CC(=O)N[C@H](c1ccccc1)c1c(O)c(C(=O)[O-])cc2ccccc21	ZINC000022238465	453688664	/nfs/dbraw/zinc/68/86/64/453688664.db2.gz	SPSLGSPDBRFYLE-GOSISDBHSA-N	-1	0	335.359	3.469	50	0		EGAARM
Cc1nccc(N2CCC(CCCc3ccccc3)(C(=O)[O-])CC2)n1	ZINC000071775665	454218749	/nfs/dbraw/zinc/21/87/49/454218749.db2.gz	UQCAGVWDDXSLIR-UHFFFAOYSA-N	-1	0	339.439	3.479	50	0		EGAARM
COc1ccc([C@H]2Nc3ccccc3C(=O)N2CCCC(=O)[O-])cc1	ZINC000072220549	454275575	/nfs/dbraw/zinc/27/55/75/454275575.db2.gz	LOKSTEQVYSTBLA-SFHVURJKSA-N	-1	0	340.379	3.127	50	0		EGAARM
CCSc1n[n-]c2nc3c(c(=O)n12)[C@@](C)(CC)Cc1ccccc1-3	ZINC000101015915	454469080	/nfs/dbraw/zinc/46/90/80/454469080.db2.gz	SAQZWUOTNUEMRJ-SFHVURJKSA-N	-1	0	340.452	3.420	50	0		EGAARM
O=C([O-])CSc1nnc(C2CC2)n1-c1cccc(C(F)(F)F)c1	ZINC000065499678	454578302	/nfs/dbraw/zinc/57/83/02/454578302.db2.gz	MMQMEERSMHSJAC-UHFFFAOYSA-N	-1	0	343.330	3.340	50	0		EGAARM
Cc1cc(C(=O)CCC(=O)N[C@@H](C(=O)[O-])c2ccccc2)c(C)s1	ZINC000170811339	454981784	/nfs/dbraw/zinc/98/17/84/454981784.db2.gz	XTCOYPIQILIOLN-QGZVFWFLSA-N	-1	0	345.420	3.270	50	0		EGAARM
CC(C)(C)OC(=O)N1Cc2sc(C(=O)[O-])c(Br)c2C1	ZINC000309863416	456577129	/nfs/dbraw/zinc/57/71/29/456577129.db2.gz	KLCHQUAJNIIUDX-UHFFFAOYSA-N	-1	0	348.218	3.460	50	0		EGAARM
CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(-c2ccccc2OC)cc1	ZINC000426403816	457822694	/nfs/dbraw/zinc/82/26/94/457822694.db2.gz	WENPJHLVLAOXDM-INIZCTEOSA-N	-1	0	327.380	3.297	50	0		EGAARM
O=C(NCc1ccccc1-n1cccn1)c1c[nH]nc1-c1cccs1	ZINC000426555676	457854241	/nfs/dbraw/zinc/85/42/41/457854241.db2.gz	RYPZBAUXJKWDNL-UHFFFAOYSA-N	-1	0	349.419	3.254	50	0		EGAARM
CC(C)(C)OC(=O)N(CC(=O)[O-])Cc1ccccc1Br	ZINC000725343449	1298352831	/nfs/dbraw/zinc/35/28/31/1298352831.db2.gz	SWTSAAHPSOLCPE-UHFFFAOYSA-N	-1	0	344.205	3.271	50	0		EGAARM
Cc1cccc(C[C@H](C(=O)Nc2cc(C)cc(C)c2)c2nnn[n-]2)c1	ZINC000004169536	1424095821	/nfs/dbraw/zinc/09/58/21/1424095821.db2.gz	CXBGZQDOYOSJJU-KRWDZBQOSA-N	-1	0	335.411	3.090	50	0		EGAARM
O=C([O-])C1(NC(=O)c2ccc(N3CCCC3)c(Cl)c2)CCCC1	ZINC000952980245	939809709	/nfs/dbraw/zinc/80/97/09/939809709.db2.gz	WNCKRRUJHGNMLX-UHFFFAOYSA-N	-1	0	336.819	3.067	50	0		EGAARM
O=C([O-])[C@@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000004530486	210215468	/nfs/dbraw/zinc/21/54/68/210215468.db2.gz	CAXCRXDCRBCENL-HXUWFJFHSA-N	-1	0	347.414	3.014	50	0		EGAARM
CCCCn1c2ccccc2c([O-])c(C(=O)Nc2cccnc2)c1=O	ZINC000100602428	219102578	/nfs/dbraw/zinc/10/25/78/219102578.db2.gz	LJFCNNQUEWKOBF-UHFFFAOYSA-N	-1	0	337.379	3.155	50	0		EGAARM
Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1C(=O)[O-]	ZINC000003855762	210080601	/nfs/dbraw/zinc/08/06/01/210080601.db2.gz	QHCHLIFCIBMTGC-UHFFFAOYSA-N	-1	0	325.773	3.147	50	0		EGAARM
COc1ccc(Cl)cc1NC(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000003863981	210080435	/nfs/dbraw/zinc/08/04/35/210080435.db2.gz	CZVQALXEJTVKMW-UHFFFAOYSA-N	-1	0	334.759	3.369	50	0		EGAARM
COc1ccc(CN2C(=O)CC[C@@H](C(=O)[O-])[C@@H]2c2ccccc2)cc1	ZINC000003855953	210080469	/nfs/dbraw/zinc/08/04/69/210080469.db2.gz	DXPXRAGPKFGOQD-MJGOQNOKSA-N	-1	0	339.391	3.260	50	0		EGAARM
O=C([O-])c1ccc(N[C@@H]2SC(=O)N(Cc3ccccc3)C2=O)cc1	ZINC000002455813	209852190	/nfs/dbraw/zinc/85/21/90/209852190.db2.gz	MGWGBLRCYRVKJZ-CQSZACIVSA-N	-1	0	342.376	3.018	50	0		EGAARM
Cc1ccc(CSC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1	ZINC000002391031	209845925	/nfs/dbraw/zinc/84/59/25/209845925.db2.gz	CUNVVZWSABRKAL-ZDUSSCGKSA-N	-1	0	325.430	3.206	50	0		EGAARM
O=C([O-])C1=CN(c2ccc(C(F)(F)F)cc2)O[C@@H]1C(F)(F)F	ZINC000030696565	304035491	/nfs/dbraw/zinc/03/54/91/304035491.db2.gz	QTDVBTNPXNKFTI-VIFPVBQESA-N	-1	0	327.180	3.356	50	0		EGAARM
O=C([O-])C[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1	ZINC000038025328	213192442	/nfs/dbraw/zinc/19/24/42/213192442.db2.gz	XDGLDEUDAYWMPC-NSHDSACASA-N	-1	0	330.211	3.392	50	0		EGAARM
CCCN1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1	ZINC000000070017	283315982	/nfs/dbraw/zinc/31/59/82/283315982.db2.gz	VQZMBKSKJMYQOE-QZTJIDSGSA-N	-1	0	339.391	3.471	50	0		EGAARM
O=C([O-])c1cn(Cc2ccc(F)cc2)nc1OCc1ccc(F)cc1	ZINC000035587931	213040161	/nfs/dbraw/zinc/04/01/61/213040161.db2.gz	GGASKMXURJGHSG-UHFFFAOYSA-N	-1	0	344.317	3.487	50	0		EGAARM
Cc1nc(-c2cccc(NC(=O)[C@H]3[C@H](C(=O)[O-])C3(C)C)c2)cs1	ZINC000071284149	215752665	/nfs/dbraw/zinc/75/26/65/215752665.db2.gz	SCGWAARBKYNXQJ-ZIAGYGMSSA-N	-1	0	330.409	3.414	50	0		EGAARM
CCCc1ccc(S(=O)(=O)Nc2ccsc2C(=O)[O-])cc1	ZINC000035306387	213019631	/nfs/dbraw/zinc/01/96/31/213019631.db2.gz	XKOUFSNMMOVZFU-UHFFFAOYSA-N	-1	0	325.411	3.200	50	0		EGAARM
O=C([O-])c1ccc(C[N@@H+]2CC[C@H](Cc3cccc(C(=O)[O-])c3)C2)cc1	ZINC000072143204	216028913	/nfs/dbraw/zinc/02/89/13/216028913.db2.gz	NQAMYBPANUDSPL-MRXNPFEDSA-N	-1	0	339.391	3.148	50	0		EGAARM
Cc1ccccc1-c1cccc(-c2nccn2CCc2n[nH]c(=O)[n-]2)c1	ZINC000072152087	216041052	/nfs/dbraw/zinc/04/10/52/216041052.db2.gz	NPERGSTWVNDNSB-UHFFFAOYSA-N	-1	0	345.406	3.180	50	0		EGAARM
CCOc1cc(C)c(CN2CCOC[C@H]2CC(=O)[O-])cc1C(C)C	ZINC000072163989	216053217	/nfs/dbraw/zinc/05/32/17/216053217.db2.gz	PVXPOGLQTLFRPG-MRXNPFEDSA-N	-1	0	335.444	3.193	50	0		EGAARM
O=C([O-])Cc1cc(F)c(F)c(Br)c1Br	ZINC000263623982	304088474	/nfs/dbraw/zinc/08/84/74/304088474.db2.gz	MIAORTZBRICRHK-UHFFFAOYSA-N	-1	0	329.922	3.117	50	0		EGAARM
O=C([O-])CNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21	ZINC000072400984	216193917	/nfs/dbraw/zinc/19/39/17/216193917.db2.gz	FXJHEDIUSGVUDS-UHFFFAOYSA-N	-1	0	340.766	3.370	50	0		EGAARM
O=C([O-])[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccccc1	ZINC000000091033	209413902	/nfs/dbraw/zinc/41/39/02/209413902.db2.gz	VTULPAQMHCOZTG-SFHVURJKSA-N	-1	0	336.343	3.486	50	0		EGAARM
CC[C@H](Nc1nccc(-c2cc(C(=O)[O-])ccn2)n1)c1ccncc1	ZINC000072476850	216253762	/nfs/dbraw/zinc/25/37/62/216253762.db2.gz	WOCVRIBKPXNJBX-AWEZNQCLSA-N	-1	0	335.367	3.195	50	0		EGAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(-c4cc(C)cc(C)c4)c=3c2=O)cc1	ZINC000023125649	212350816	/nfs/dbraw/zinc/35/08/16/212350816.db2.gz	XVSCYKPGYCYGES-ZWKOTPCHSA-N	-1	0	348.406	3.364	50	0		EGAARM
Cc1noc(-c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)n1	ZINC000022462405	212299050	/nfs/dbraw/zinc/29/90/50/212299050.db2.gz	HRXSACDLJVDPGA-UHFFFAOYSA-N	-1	0	329.381	3.154	50	0		EGAARM
COc1ccc(-c2cc3ncc(C(=O)c4ccccc4[O-])cn3n2)cc1	ZINC000021729226	212245623	/nfs/dbraw/zinc/24/56/23/212245623.db2.gz	ZQGKJSSEMPXGHQ-UHFFFAOYSA-N	-1	0	345.358	3.342	50	0		EGAARM
O=C([O-])CC1(CNC(=O)Cn2ccc3ccc(F)cc32)CCCCC1	ZINC000020722681	212163878	/nfs/dbraw/zinc/16/38/78/212163878.db2.gz	HKPHCZVEYASZED-UHFFFAOYSA-N	-1	0	346.402	3.322	50	0		EGAARM
Cc1cc(C)cc(C[C@@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)c1	ZINC000019929842	212085729	/nfs/dbraw/zinc/08/57/29/212085729.db2.gz	BCRUUYFLEJKVJU-MRXNPFEDSA-N	-1	0	337.375	3.124	50	0		EGAARM
O=C1CCc2cc([N-]S(=O)(=O)c3ccc(Cl)s3)ccc2N1	ZINC000009828278	211125225	/nfs/dbraw/zinc/12/52/25/211125225.db2.gz	MBAQKHGQOPUDAV-UHFFFAOYSA-N	-1	0	342.829	3.087	50	0		EGAARM
CCCC(=O)Nc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1	ZINC000009229942	211056461	/nfs/dbraw/zinc/05/64/61/211056461.db2.gz	QJVNFJBNQAOOSH-CABCVRRESA-N	-1	0	332.400	3.255	50	0		EGAARM
CSCc1noc(CN2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)n1	ZINC000095380874	218313901	/nfs/dbraw/zinc/31/39/01/218313901.db2.gz	JTERLWXURRHYFK-CQSZACIVSA-N	-1	0	347.440	3.010	50	0		EGAARM
CN(Cc1ccccc1Cl)[C@@H](C(=O)[O-])c1ccc(F)c(CO)c1	ZINC000095382119	218314972	/nfs/dbraw/zinc/31/49/72/218314972.db2.gz	XIFLFJBOAIEVRJ-MRXNPFEDSA-N	-1	0	337.778	3.229	50	0		EGAARM
O=C([O-])c1ccc([C@H]2CCCN(C(=O)COc3ccccc3)C2)cc1	ZINC000095383897	218315830	/nfs/dbraw/zinc/31/58/30/218315830.db2.gz	MCUBXVCQIIXJQX-KRWDZBQOSA-N	-1	0	339.391	3.170	50	0		EGAARM
COc1c(C)cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)c(C)c1C	ZINC000004970446	210344028	/nfs/dbraw/zinc/34/40/28/210344028.db2.gz	SLSBLDFWZDCFKM-UHFFFAOYSA-N	-1	0	340.832	3.470	50	0		EGAARM
O=C([O-])c1cn(-c2ccc(F)cc2)c2c1NC(=O)C[C@H]2C(F)(F)F	ZINC000066087775	304274022	/nfs/dbraw/zinc/27/40/22/304274022.db2.gz	FJAIWHCJQZQVTQ-SNVBAGLBSA-N	-1	0	342.248	3.303	50	0		EGAARM
O=C([O-])c1ccn(COc2ccc(Br)cc2Cl)n1	ZINC000002537589	258049826	/nfs/dbraw/zinc/04/98/26/258049826.db2.gz	MJJTVHPXSDXLAU-UHFFFAOYSA-N	-1	0	331.553	3.034	50	0		EGAARM
CCCc1nc(=O)c2sc3nc4c(cc3c2[n-]1)COC(C)(C)C4	ZINC000008817055	276057298	/nfs/dbraw/zinc/05/72/98/276057298.db2.gz	UZRBDZXRLQOAPW-UHFFFAOYSA-N	-1	0	329.425	3.337	50	0		EGAARM
COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[O-])cc3n2)cc1	ZINC000000224890	295046719	/nfs/dbraw/zinc/04/67/19/295046719.db2.gz	ZIZDJEVOZFFKAS-UHFFFAOYSA-N	-1	0	337.257	3.122	50	0		EGAARM
Nc1nc(SCc2cccc(C(F)(F)F)c2)ncc1C(=O)[O-]	ZINC000000146440	452521415	/nfs/dbraw/zinc/52/14/15/452521415.db2.gz	VAAFICIVUZKXQU-UHFFFAOYSA-N	-1	0	329.303	3.068	50	0		EGAARM
O=C([O-])[C@@H](CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H]1CCCO1	ZINC000000291767	452553683	/nfs/dbraw/zinc/55/36/83/452553683.db2.gz	UVDRCVQFHQOGIH-CABZTGNLSA-N	-1	0	332.183	3.202	50	0		EGAARM
Cc1cc(C)c(S(=O)(=O)[N-]c2nnc(C(C)C)s2)c(C)c1	ZINC000000298928	452557387	/nfs/dbraw/zinc/55/73/87/452557387.db2.gz	WRSDZJHEQWUKDL-UHFFFAOYSA-N	-1	0	325.459	3.388	50	0		EGAARM
COc1ccc(OC)c(NC(=O)[C@@H]2CC[C@@](C)(C(=O)[O-])C2(C)C)c1	ZINC000000339839	452565659	/nfs/dbraw/zinc/56/56/59/452565659.db2.gz	FDXWBDFSWCCKEG-SGTLLEGYSA-N	-1	0	335.400	3.169	50	0		EGAARM
O=C([O-])c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1	ZINC000000477312	452604635	/nfs/dbraw/zinc/60/46/35/452604635.db2.gz	OJRMVJNGUBEDKS-UHFFFAOYSA-N	-1	0	325.364	3.072	50	0		EGAARM
O=C([O-])[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000001433088	452665578	/nfs/dbraw/zinc/66/55/78/452665578.db2.gz	GUAMYYOQAAUXLR-ZDUSSCGKSA-N	-1	0	337.375	3.342	50	0		EGAARM
Cn1cc(Cl)c(C(=O)[N-]c2c(F)c(F)c(F)c(F)c2F)n1	ZINC000002767153	452722680	/nfs/dbraw/zinc/72/26/80/452722680.db2.gz	MOPOEQMQBWFLMU-UHFFFAOYSA-N	-1	0	325.624	3.021	50	0		EGAARM
CCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000005683965	452894395	/nfs/dbraw/zinc/89/43/95/452894395.db2.gz	KBAVNOYVMTTWJJ-UHFFFAOYSA-N	-1	0	346.452	3.326	50	0		EGAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(Br)c1	ZINC000006315753	452933377	/nfs/dbraw/zinc/93/33/77/452933377.db2.gz	XMGZCQZVYNZCTD-UHFFFAOYSA-N	-1	0	342.214	3.259	50	0		EGAARM
CCn1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2OC)cn1	ZINC000006706503	452974074	/nfs/dbraw/zinc/97/40/74/452974074.db2.gz	WYZKPZNOWFMSLF-UHFFFAOYSA-N	-1	0	337.445	3.010	50	0		EGAARM
COc1ccccc1-c1c(C)nn2c1nc(C)cc2SCC(=O)[O-]	ZINC000006919166	453007839	/nfs/dbraw/zinc/00/78/39/453007839.db2.gz	ANSNKOZRSANYGK-UHFFFAOYSA-N	-1	0	343.408	3.198	50	0		EGAARM
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C)ccc1O	ZINC000016622262	453616122	/nfs/dbraw/zinc/61/61/22/453616122.db2.gz	QFMCUDZSGBLFLT-UHFFFAOYSA-N	-1	0	327.789	3.163	50	0		EGAARM
Cc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCCCC2)o1	ZINC000023748830	453716935	/nfs/dbraw/zinc/71/69/35/453716935.db2.gz	BULIRNMRQIGNOK-ZDUSSCGKSA-N	-1	0	332.429	3.282	50	0		EGAARM
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NC1(C(=O)[O-])CCCC1	ZINC000095501340	454222617	/nfs/dbraw/zinc/22/26/17/454222617.db2.gz	MIHZWVHYDVUKRG-CYBMUJFWSA-N	-1	0	327.380	3.121	50	0		EGAARM
O=C([O-])[C@H](Cc1ccco1)NC(=O)CCCc1ccc(Cl)cc1	ZINC000095505178	454223639	/nfs/dbraw/zinc/22/36/39/454223639.db2.gz	UHLSDUJTTRTZOA-HNNXBMFYSA-N	-1	0	335.787	3.068	50	0		EGAARM
O=C(Cn1[n-]c(-c2ccc(F)cc2)cc1=O)Nc1ccc(Cl)cc1	ZINC000049006604	454527465	/nfs/dbraw/zinc/52/74/65/454527465.db2.gz	WHKMKOHDOBTDOA-UHFFFAOYSA-N	-1	0	345.761	3.275	50	0		EGAARM
CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1	ZINC000065833353	454629928	/nfs/dbraw/zinc/62/99/28/454629928.db2.gz	CSSCWLOGSWDTBI-UHFFFAOYSA-N	-1	0	338.816	3.124	50	0		EGAARM
O=C([O-])c1ccc(CNC(=O)CCSCc2ccc(F)cc2)o1	ZINC000221269086	456042310	/nfs/dbraw/zinc/04/23/10/456042310.db2.gz	QVUQKPYTESUMSM-UHFFFAOYSA-N	-1	0	337.372	3.057	50	0		EGAARM
COc1ccccc1-c1ccc(C(=O)[O-])c(N2C[C@@H](C)O[C@@H](C)C2)n1	ZINC000299764065	456780929	/nfs/dbraw/zinc/78/09/29/456780929.db2.gz	JZRLGZBLNDIEAE-BETUJISGSA-N	-1	0	342.395	3.069	50	0		EGAARM
COc1ccc(CN(C)C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c2ccccc12	ZINC000426494009	457841561	/nfs/dbraw/zinc/84/15/61/457841561.db2.gz	KDGQKJZKQWZIIZ-UONOGXRCSA-N	-1	0	341.407	3.308	50	0		EGAARM
O=C1N=C(c2c(=O)oc3ccccc3c2[O-])C(c2ccsc2)N1	ZINC000524729788	459384669	/nfs/dbraw/zinc/38/46/69/459384669.db2.gz	JHQIULSKBANRDD-UHFFFAOYSA-N	-1	0	326.333	3.323	50	0	biogenic	EGAARM
Cc1cc(S(=O)(=O)N[C@H](C)Cc2ccccn2)c(Cl)cc1F	ZINC000655651399	461344976	/nfs/dbraw/zinc/34/49/76/461344976.db2.gz	NSSSEHLOUWTOHC-LLVKDONJSA-N	-1	0	342.823	3.092	50	0		EGAARM
COc1cccc(OCC(=O)Nc2ccc(Cl)cc2C(=O)[O-])c1	ZINC000004724573	210259169	/nfs/dbraw/zinc/25/91/69/210259169.db2.gz	ALOTYEWLXZXFSX-UHFFFAOYSA-N	-1	0	335.743	3.064	50	0		EGAARM
CCN(CCSc1ccc(C)cc1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000097823305	219058520	/nfs/dbraw/zinc/05/85/20/219058520.db2.gz	QRKAHAAAZJSKBL-LSDHHAIUSA-N	-1	0	335.469	3.437	50	0		EGAARM
CCn1c(=O)c(C(=O)Nc2cccc(F)c2)c([O-])c2ccccc21	ZINC000100504390	219100962	/nfs/dbraw/zinc/10/09/62/219100962.db2.gz	RDKDDWFWSVYAGK-UHFFFAOYSA-N	-1	0	326.327	3.118	50	0		EGAARM
CC1(C)OC(=O)C(=C([O-])Nc2ccc(Cl)c(Cl)c2)C(=O)O1	ZINC000100912406	219111044	/nfs/dbraw/zinc/11/10/44/219111044.db2.gz	ZNOKIVVGKSPAQB-UHFFFAOYSA-N	-1	0	332.139	3.011	50	0		EGAARM
O=C([O-])CSCc1nc(=O)c2c(-c3cccs3)csc2[nH]1	ZINC000003887675	210084557	/nfs/dbraw/zinc/08/45/57/210084557.db2.gz	RYFWXBSJYRZDOB-UHFFFAOYSA-N	-1	0	338.435	3.031	50	0		EGAARM
CCOc1ccc([N-]S(=O)(=O)c2cc(N)ccc2Cl)cc1	ZINC000003885385	210083395	/nfs/dbraw/zinc/08/33/95/210083395.db2.gz	SBUJUALJFGVVIF-UHFFFAOYSA-N	-1	0	326.805	3.122	50	0		EGAARM
COc1ccc([C@H]2Nc3nonc3N=C3CCCC(=O)C32)c(OC)c1	ZINC000102738904	219226274	/nfs/dbraw/zinc/22/62/74/219226274.db2.gz	UZZVEVMQDNKKIN-OAHLLOKOSA-N	-1	0	342.355	3.322	50	0		EGAARM
Cc1nn(-c2ccc(-c3ncc(C)cn3)cc2)c(C)c1CCC(=O)[O-]	ZINC000067869009	215235957	/nfs/dbraw/zinc/23/59/57/215235957.db2.gz	FWGFFRDYLPTHHS-UHFFFAOYSA-N	-1	0	336.395	3.272	50	0		EGAARM
C[C@@H](CCc1ccccc1)NC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000002105520	209819453	/nfs/dbraw/zinc/81/94/53/209819453.db2.gz	WGYJIJUHGBHHIH-YJBOKZPZSA-N	-1	0	340.423	3.003	50	0	biogenic	EGAARM
O=C([O-])C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[C@@H]1CCCO1	ZINC000000333483	304081158	/nfs/dbraw/zinc/08/11/58/304081158.db2.gz	CTUIWXAHWPJHFP-CABZTGNLSA-N	-1	0	332.183	3.202	50	0		EGAARM
CC(C)(C)c1nc(CN2CC[C@H](Cc3cccc(C(=O)[O-])c3)C2)no1	ZINC000072157900	216048202	/nfs/dbraw/zinc/04/82/02/216048202.db2.gz	HNOLZTDWAAEOFT-CQSZACIVSA-N	-1	0	343.427	3.130	50	0		EGAARM
Cc1ccccc1OC1(C(=O)[O-])CCN(C(=O)c2ccsc2)CC1	ZINC000072454628	216242083	/nfs/dbraw/zinc/24/20/83/216242083.db2.gz	FGZYEJFWBOPLFL-UHFFFAOYSA-N	-1	0	345.420	3.195	50	0		EGAARM
CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC000244708257	243061935	/nfs/dbraw/zinc/06/19/35/243061935.db2.gz	KQFVPGMKSMLNOS-MELADBBJSA-N	-1	0	346.427	3.044	50	0		EGAARM
CC[C@H](C)N1CNc2c(c(=O)[n-]c(=S)n2-c2cccc(C)c2C)C1	ZINC000020567378	212148041	/nfs/dbraw/zinc/14/80/41/212148041.db2.gz	CURQCINJVMJBAD-LBPRGKRZSA-N	-1	0	344.484	3.495	50	0		EGAARM
CN(C(=O)CSc1nc2cc(C(=O)[O-])ccc2[nH]1)c1ccccc1	ZINC000076566032	216792393	/nfs/dbraw/zinc/79/23/93/216792393.db2.gz	CMHISOBZLFTKEM-UHFFFAOYSA-N	-1	0	341.392	3.016	50	0		EGAARM
CCCn1c(=O)c(C(=O)Nc2ncc(C)s2)c([O-])c2ccccc21	ZINC000100534604	284127631	/nfs/dbraw/zinc/12/76/31/284127631.db2.gz	XXKIIIQTBBZOKY-UHFFFAOYSA-N	-1	0	343.408	3.134	50	0		EGAARM
O=C([O-])[C@H]1CC=C(Cl)C[C@H]1C(=O)Nc1nc2ccccc2s1	ZINC000004181300	304175751	/nfs/dbraw/zinc/17/57/51/304175751.db2.gz	JUWQMDZYNWZPIF-VHSXEESVSA-N	-1	0	336.800	3.468	50	0		EGAARM
C[C@@H]1C[C@H](O)[C@@]2(C)C(C(=O)[O-])=CCC[C@@H]2[C@@]1(C)CCC1=CCOC1=O	ZINC000085841965	217686058	/nfs/dbraw/zinc/68/60/58/217686058.db2.gz	VIZZFMPBFLWOFS-JJOBAADDSA-N	-1	0	348.439	3.084	50	0	biogenic	EGAARM
CC[C@@H](C)NC(=O)c1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1	ZINC000012403827	211368734	/nfs/dbraw/zinc/36/87/34/211368734.db2.gz	KJLJHAIVPDONBX-WQVCFCJDSA-N	-1	0	346.427	3.044	50	0		EGAARM
O=C([O-])[C@H](c1c2ccccc2[nH]c1-c1ccccc1)N1CCOCC1	ZINC000012390636	211366829	/nfs/dbraw/zinc/36/68/29/211366829.db2.gz	RFWVQBPEAIWYOG-IBGZPJMESA-N	-1	0	336.391	3.293	50	0		EGAARM
CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCCC(=O)[O-])c1	ZINC000010288058	211161785	/nfs/dbraw/zinc/16/17/85/211161785.db2.gz	ITOLKVYYFCMDEY-UHFFFAOYSA-N	-1	0	326.780	3.272	50	0		EGAARM
Cc1noc(C)c1CSc1nnc(Cc2ccccc2)c(=O)[n-]1	ZINC000009049579	211034272	/nfs/dbraw/zinc/03/42/72/211034272.db2.gz	IYFMIDNVLOOVRQ-UHFFFAOYSA-N	-1	0	328.397	3.065	50	0		EGAARM
CC(C)c1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)cc1	ZINC000006770284	210706835	/nfs/dbraw/zinc/70/68/35/210706835.db2.gz	KRFUMRWDJXJWDX-QZTJIDSGSA-N	-1	0	348.406	3.303	50	0		EGAARM
O=C([O-])c1ccc(OCCCN2CCC[C@@H]2c2nccs2)cc1	ZINC000244715954	304248655	/nfs/dbraw/zinc/24/86/55/304248655.db2.gz	LFPOWHUJFKHZDO-OAHLLOKOSA-N	-1	0	332.425	3.447	50	0		EGAARM
CC(C)(C)c1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000000009688	208550091	/nfs/dbraw/zinc/55/00/91/208550091.db2.gz	STEXBIQSNXOZRU-QGZVFWFLSA-N	-1	0	325.408	3.410	50	0		EGAARM
O=C([O-])c1cnn(-c2ccc(Br)cc2)c1C(F)(F)F	ZINC000002522124	304279839	/nfs/dbraw/zinc/27/98/39/304279839.db2.gz	PANAIRIJPGLPGO-UHFFFAOYSA-N	-1	0	335.079	3.352	50	0		EGAARM
Cc1cc(=O)c(C(=O)[O-])c(CCc2ccccc2)n1Cc1ccncc1	ZINC000299776066	258086818	/nfs/dbraw/zinc/08/68/18/258086818.db2.gz	KGLGAWSCQXNWCT-UHFFFAOYSA-N	-1	0	348.402	3.083	50	0		EGAARM
CCc1nc2sc3c(c2c(N2CCC[C@@H](C(=O)[O-])C2)n1)CCC3	ZINC000041090219	288637784	/nfs/dbraw/zinc/63/77/84/288637784.db2.gz	IYQMKGDXZOCMDN-SNVBAGLBSA-N	-1	0	331.441	3.043	50	0		EGAARM
COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)[O-])cc3N2)cc1	ZINC000000351356	295226085	/nfs/dbraw/zinc/22/60/85/295226085.db2.gz	OUGYIYVYHCQEET-JQWIXIFHSA-N	-1	0	341.289	3.250	50	0		EGAARM
O=C(NC[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc([C@@H]2CCCO2)s1	ZINC000244574771	455275955	/nfs/dbraw/zinc/27/59/55/455275955.db2.gz	CRFZOPGKWCPSSH-AVGNSLFASA-N	-1	0	337.441	3.220	50	0		EGAARM
CCCc1cc(C(=O)OCC)c(NC(=O)CCCC(=O)[O-])s1	ZINC000000028443	452491194	/nfs/dbraw/zinc/49/11/94/452491194.db2.gz	HZLOLZKQBWPFJD-UHFFFAOYSA-N	-1	0	327.402	3.071	50	0		EGAARM
Cc1cnc(NC(=O)c2ccccc2C(=O)[O-])c(Br)c1	ZINC000000146444	452521466	/nfs/dbraw/zinc/52/14/66/452521466.db2.gz	XFTPLFROVQMXLW-UHFFFAOYSA-N	-1	0	335.157	3.103	50	0		EGAARM
CC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(C)ccc3C)ccc21	ZINC000000428692	452589457	/nfs/dbraw/zinc/58/94/57/452589457.db2.gz	ZLDXMCPIKATPBG-UHFFFAOYSA-N	-1	0	344.436	3.013	50	0		EGAARM
COc1ccc(S(=O)(=O)[N-]c2cccnc2)c(Cl)c1Cl	ZINC000000617666	452633624	/nfs/dbraw/zinc/63/36/24/452633624.db2.gz	DQZOFLWYFWYWGA-UHFFFAOYSA-N	-1	0	333.196	3.198	50	0		EGAARM
Cc1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)c(C)c1	ZINC000001297045	452651845	/nfs/dbraw/zinc/65/18/45/452651845.db2.gz	XPXNEVCIWSEPPO-UHFFFAOYSA-N	-1	0	334.375	3.132	50	0		EGAARM
O=C([O-])Cc1sc(CC2=NC(=O)CS2)nc1-c1ccccc1	ZINC000001395299	452660342	/nfs/dbraw/zinc/66/03/42/452660342.db2.gz	VTVQMBMRJVKSDI-UHFFFAOYSA-N	-1	0	332.406	3.190	50	0		EGAARM
Cc1ccc(CSC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1	ZINC000001576253	452668482	/nfs/dbraw/zinc/66/84/82/452668482.db2.gz	CUNVVZWSABRKAL-CYBMUJFWSA-N	-1	0	325.430	3.206	50	0		EGAARM
O=C([O-])Cc1ccccc1C(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000002381050	452695085	/nfs/dbraw/zinc/69/50/85/452695085.db2.gz	PUVXWDSDNZTLSW-UHFFFAOYSA-N	-1	0	339.269	3.465	50	0		EGAARM
C[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000002526563	452702575	/nfs/dbraw/zinc/70/25/75/452702575.db2.gz	BMUDOYSTGJHGNI-GFCCVEGCSA-N	-1	0	325.364	3.246	50	0		EGAARM
O=C([O-])c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1	ZINC000002550768	452705126	/nfs/dbraw/zinc/70/51/26/452705126.db2.gz	STTDXJDJQQYOPK-UHFFFAOYSA-N	-1	0	345.298	3.204	50	0		EGAARM
CCOc1ccc([C@@H](CC(=O)[O-])N2Cc3ccccc3C2=O)cc1	ZINC000002597318	452706116	/nfs/dbraw/zinc/70/61/16/452706116.db2.gz	GBCSXZOBWJGYOG-QGZVFWFLSA-N	-1	0	325.364	3.257	50	0		EGAARM
O=C([O-])Cc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1	ZINC000002876645	452731763	/nfs/dbraw/zinc/73/17/63/452731763.db2.gz	XWDBKLBYPAUUSU-UHFFFAOYSA-N	-1	0	335.359	3.484	50	0		EGAARM
CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1	ZINC000005707714	452898125	/nfs/dbraw/zinc/89/81/25/452898125.db2.gz	RNWXEXPNXAICBK-HZPDHXFCSA-N	-1	0	345.395	3.249	50	0		EGAARM
COc1ccccc1-c1nc(SCc2cccc(C(=O)[O-])c2)n[nH]1	ZINC000006703238	452973463	/nfs/dbraw/zinc/97/34/63/452973463.db2.gz	VDAWRSWQVPZMMA-UHFFFAOYSA-N	-1	0	341.392	3.471	50	0		EGAARM
COc1cc(OC)c([N-]S(=O)(=O)c2ccccc2F)cc1Cl	ZINC000007381482	453068484	/nfs/dbraw/zinc/06/84/84/453068484.db2.gz	NOPIMQFFBDDPET-UHFFFAOYSA-N	-1	0	345.779	3.297	50	0		EGAARM
Cc1[n-]n2c(nc(C)c(C)c2=O)c1-c1ccc(Br)cc1	ZINC000017879101	453639266	/nfs/dbraw/zinc/63/92/66/453639266.db2.gz	VDQOGGVFCQUXIH-UHFFFAOYSA-N	-1	0	332.201	3.377	50	0		EGAARM
Cc1nc2[n-]c(C(F)(F)F)nn2c(=O)c1Cc1ccc(Cl)cc1	ZINC000018223176	453648556	/nfs/dbraw/zinc/64/85/56/453648556.db2.gz	RGBRRZMRODATFN-UHFFFAOYSA-N	-1	0	342.708	3.401	50	0		EGAARM
O=C([O-])c1nc(SCc2ccccc2F)ncc1Br	ZINC000028292777	453822976	/nfs/dbraw/zinc/82/29/76/453822976.db2.gz	RCPAZJZBIWQMBL-UHFFFAOYSA-N	-1	0	343.177	3.369	50	0		EGAARM
COc1ccccc1-c1noc(-c2c[n-]c3ccc(F)cc3c2=O)n1	ZINC000075352740	453883553	/nfs/dbraw/zinc/88/35/53/453883553.db2.gz	MLWOHKIQMNIKFJ-UHFFFAOYSA-N	-1	0	337.310	3.393	50	0		EGAARM
COCCC1(C(=O)[O-])CCN(c2cc(C)c3ccccc3n2)CC1	ZINC000071753443	454213891	/nfs/dbraw/zinc/21/38/91/454213891.db2.gz	VWOTWYNDCQGKDX-UHFFFAOYSA-N	-1	0	328.412	3.251	50	0		EGAARM
Cc1scc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1-c1ccccc1	ZINC000244724186	526905395	/nfs/dbraw/zinc/90/53/95/526905395.db2.gz	MPKNMBUJSUGCFK-VIKVFOODSA-N	-1	0	327.405	3.126	50	0		EGAARM
CN(Cc1cccc(-n2cccn2)c1)c1ccc(Cl)c(C(=O)[O-])n1	ZINC000095504864	1292945237	/nfs/dbraw/zinc/94/52/37/1292945237.db2.gz	OMWIPYRPAGDHEG-UHFFFAOYSA-N	-1	0	342.786	3.255	50	0		EGAARM
C[C@@H](Oc1ccc(CN2CC(c3ccccn3)C2)cc1Cl)C(=O)[O-]	ZINC001704349981	1416452679	/nfs/dbraw/zinc/45/26/79/1416452679.db2.gz	MQUAZSRUDUTROY-GFCCVEGCSA-N	-1	0	346.814	3.186	50	0		EGAARM
Cc1cc(NC(=O)c2ccc(C(=O)[O-])cc2)ccc1N1CCCC1=O	ZINC000013408170	948779942	/nfs/dbraw/zinc/77/99/42/948779942.db2.gz	JEZVTHZJTVMXAM-UHFFFAOYSA-N	-1	0	338.363	3.072	50	0		EGAARM
Cc1cc(C)cc(C[C@@H](CC(=O)[O-])C(=O)NCc2ccccc2)c1	ZINC000004719265	210258222	/nfs/dbraw/zinc/25/82/22/210258222.db2.gz	RIMQBDNHGWMURU-SFHVURJKSA-N	-1	0	325.408	3.253	50	0		EGAARM
COc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1	ZINC000004653992	210239040	/nfs/dbraw/zinc/23/90/40/210239040.db2.gz	DIGXYAOMVUWFKX-HNNXBMFYSA-N	-1	0	333.771	3.294	50	0	biogenic	EGAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C)c4)c=3c2=O)cc1	ZINC000004483636	210199642	/nfs/dbraw/zinc/19/96/42/210199642.db2.gz	LQERDMJHYPOABJ-QZTJIDSGSA-N	-1	0	348.406	3.051	50	0		EGAARM
Cc1ccc(NC(=O)c2c([O-])c3sccc3n(C)c2=O)c(C)c1	ZINC000049409466	214006340	/nfs/dbraw/zinc/00/63/40/214006340.db2.gz	GKUYZKLIMMHVFD-UHFFFAOYSA-N	-1	0	328.393	3.175	50	0		EGAARM
CCN1C(=O)S/C(=C/c2cccn2-c2ccc(C(=O)[O-])cc2)C1=O	ZINC000004457126	210193497	/nfs/dbraw/zinc/19/34/97/210193497.db2.gz	JRWNVLIFHXMBPZ-GXDHUFHOSA-N	-1	0	342.376	3.232	50	0		EGAARM
CC(C)c1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccccc2)cc1	ZINC000004089503	210117579	/nfs/dbraw/zinc/11/75/79/210117579.db2.gz	ISMSMRLMDHRZHI-KRWDZBQOSA-N	-1	0	347.436	3.304	50	0		EGAARM
CCCCCC[C@H](O)C[C@H](O)[C@@H](O)CCCCCCCC(=O)[O-]	ZINC000004026460	210103129	/nfs/dbraw/zinc/10/31/29/210103129.db2.gz	DJKUVMZEGIWUTP-ULQDDVLXSA-N	-1	0	332.481	3.245	50	0	biogenic	EGAARM
Nc1ccc(F)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1	ZINC000003885520	210083192	/nfs/dbraw/zinc/08/31/92/210083192.db2.gz	ILOBQKMWGAWHPI-UHFFFAOYSA-N	-1	0	334.294	3.228	50	0		EGAARM
O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000003683925	210073377	/nfs/dbraw/zinc/07/33/77/210073377.db2.gz	YSDNWNOGHQYWPK-HYRRULHTSA-N	-1	0	326.179	3.455	50	0		EGAARM
CSc1ccccc1NC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000003612633	210066203	/nfs/dbraw/zinc/06/62/03/210066203.db2.gz	GSFFLKINVQQQSL-UHFFFAOYSA-N	-1	0	336.438	3.032	50	0		EGAARM
Cc1nc2sc([C@@H](c3ccco3)N3CCC[C@@H](C)C3)c([O-])n2n1	ZINC000102822248	219232862	/nfs/dbraw/zinc/23/28/62/219232862.db2.gz	KWIQCYJOJHPILY-ZWNOBZJWSA-N	-1	0	332.429	3.219	50	0		EGAARM
O=C([O-])CSc1nnc(-c2ccccc2F)n1-c1ccc(F)cc1	ZINC000003336122	210011134	/nfs/dbraw/zinc/01/11/34/210011134.db2.gz	QJNLVEQHAPFSMY-UHFFFAOYSA-N	-1	0	347.346	3.389	50	0		EGAARM
O=C([O-])c1nnn(-c2ccccc2C(F)(F)F)c1-c1ccccn1	ZINC000067323679	215133467	/nfs/dbraw/zinc/13/34/67/215133467.db2.gz	WDYIDXRRLHPBBQ-UHFFFAOYSA-N	-1	0	334.257	3.046	50	0		EGAARM
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccc(Cl)cc12)C(=O)[O-]	ZINC000040566505	213352850	/nfs/dbraw/zinc/35/28/50/213352850.db2.gz	PZZXAZAYKCNQAL-ZDUSSCGKSA-N	-1	0	338.791	3.342	50	0		EGAARM
CCC(=O)Oc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2C)cc1	ZINC000000616001	209681289	/nfs/dbraw/zinc/68/12/89/209681289.db2.gz	YJZPDCIKPPSIEK-UHFFFAOYSA-N	-1	0	327.336	3.261	50	0		EGAARM
O=C([O-])C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[C@H]1CCCO1	ZINC000000333480	304081126	/nfs/dbraw/zinc/08/11/26/304081126.db2.gz	CTUIWXAHWPJHFP-JOYOIKCWSA-N	-1	0	332.183	3.202	50	0		EGAARM
COc1ccc(-c2cc3nccc(-c4c([O-])cc(C)oc4=O)n3n2)cc1	ZINC000072405161	216195749	/nfs/dbraw/zinc/19/57/49/216195749.db2.gz	GBZDGBGYPJVWFZ-UHFFFAOYSA-N	-1	0	349.346	3.039	50	0		EGAARM
COC(=O)c1[n-]c(=NC(=O)CCCc2ccccc2)sc1C(C)C	ZINC000072402155	216193985	/nfs/dbraw/zinc/19/39/85/216193985.db2.gz	PKYBPHUDTHMSMV-UHFFFAOYSA-N	-1	0	346.452	3.436	50	0		EGAARM
O=C([O-])C1(Oc2ccccc2F)CCN(C(=O)c2cccs2)CC1	ZINC000072408790	216199755	/nfs/dbraw/zinc/19/97/55/216199755.db2.gz	SIYITXLROZEGEA-UHFFFAOYSA-N	-1	0	349.383	3.026	50	0		EGAARM
COc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1	ZINC000000117229	209431296	/nfs/dbraw/zinc/43/12/96/209431296.db2.gz	UJYQXDUESKLNIM-OAHLLOKOSA-N	-1	0	333.771	3.294	50	0		EGAARM
O=C([O-])c1cc(Br)ccc1NC(=O)c1cccs1	ZINC000000062958	209396324	/nfs/dbraw/zinc/39/63/24/209396324.db2.gz	GBSCZSKZVKSHLF-UHFFFAOYSA-N	-1	0	326.171	3.461	50	0		EGAARM
O=C([O-])[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)OCc1ccccc1	ZINC000261508811	304123952	/nfs/dbraw/zinc/12/39/52/304123952.db2.gz	XEFKTZBOJCDHDB-NEPJUHHUSA-N	-1	0	331.290	3.051	50	0		EGAARM
Cc1cc([O-])c(C2=NCCS[C@@H](c3cccc(F)c3)C2)c(=O)o1	ZINC000022018202	212271012	/nfs/dbraw/zinc/27/10/12/212271012.db2.gz	NDQQZHRGCHTJBY-OAHLLOKOSA-N	-1	0	333.384	3.460	50	0		EGAARM
Cc1cc(C)c2c(N)c(C(=O)Nc3cccc(C(=O)[O-])c3)sc2n1	ZINC000020849583	212175861	/nfs/dbraw/zinc/17/58/61/212175861.db2.gz	OCKRCOCMZOOUTG-UHFFFAOYSA-N	-1	0	341.392	3.446	50	0		EGAARM
CCc1ccccc1O[C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	ZINC000014632468	211749166	/nfs/dbraw/zinc/74/91/66/211749166.db2.gz	MKOUFVGDODLAMK-KBPBESRZSA-N	-1	0	335.400	3.090	50	0		EGAARM
CCCCNC(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1	ZINC000012138567	211303623	/nfs/dbraw/zinc/30/36/23/211303623.db2.gz	DHQKECVYJOEHGR-UHFFFAOYSA-N	-1	0	340.379	3.167	50	0		EGAARM
CC(=O)N(C)c1ccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])cc1	ZINC000006728952	210693007	/nfs/dbraw/zinc/69/30/07/210693007.db2.gz	ZYHUUPIZAORDHO-SJORKVTESA-N	-1	0	344.411	3.055	50	0		EGAARM
Cc1cc(C)cc(C[C@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)c1	ZINC000004981605	210348350	/nfs/dbraw/zinc/34/83/50/210348350.db2.gz	BCRUUYFLEJKVJU-INIZCTEOSA-N	-1	0	337.375	3.124	50	0		EGAARM
O=C([O-])c1ccccc1NC(=O)Cc1ccc(Br)cc1	ZINC000004823864	210287576	/nfs/dbraw/zinc/28/75/76/210287576.db2.gz	QUPQMWWCAXRWNE-UHFFFAOYSA-N	-1	0	334.169	3.329	50	0		EGAARM
O=C([O-])c1ccc(C(=O)N2CCC[C@@H](OCc3ccccc3)C2)s1	ZINC000097568923	219035738	/nfs/dbraw/zinc/03/57/38/219035738.db2.gz	UNQUSSGTFHKLBJ-CQSZACIVSA-N	-1	0	345.420	3.268	50	0		EGAARM
CCc1cccc(CC)c1NC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000004757006	210272193	/nfs/dbraw/zinc/27/21/93/210272193.db2.gz	HEZPSXQYQGZTTB-UHFFFAOYSA-N	-1	0	346.452	3.435	50	0		EGAARM
O=C([O-])c1cn(-c2cccc(F)c2)c2c1NC(=O)C[C@@H]2C(F)(F)F	ZINC000066091444	304274126	/nfs/dbraw/zinc/27/41/26/304274126.db2.gz	GTWXFDMMJNCVCI-JTQLQIEISA-N	-1	0	342.248	3.303	50	0		EGAARM
COc1ccc(-c2oc3cc4c(cc3c2CC(=O)[O-])OCO4)cc1	ZINC000524731839	257842809	/nfs/dbraw/zinc/84/28/09/257842809.db2.gz	MDIVYTXZQOYFLC-UHFFFAOYSA-N	-1	0	326.304	3.464	50	0	biogenic	EGAARM
CCc1c(C)nc2c(-c3ccc(OC)c(OC)c3)c(C)[n-]n2c1=O	ZINC000102804237	258069697	/nfs/dbraw/zinc/06/96/97/258069697.db2.gz	YUPDWRFHZLDCIQ-UHFFFAOYSA-N	-1	0	327.384	3.298	50	0		EGAARM
O=C([O-])c1sccc1NC(=O)c1ccc(Br)cc1	ZINC000022150700	304285822	/nfs/dbraw/zinc/28/58/22/304285822.db2.gz	ZYSJJWWEKZMADT-UHFFFAOYSA-N	-1	0	326.171	3.461	50	0		EGAARM
CC(C)c1nnc2n1N1C(=CS[C@H]1c1ccc(C(=O)[O-])cc1)S2	ZINC000020731053	280733344	/nfs/dbraw/zinc/73/33/44/280733344.db2.gz	FUSPFBYGGOYIFI-ZDUSSCGKSA-N	-1	0	346.437	3.388	50	0		EGAARM
COc1ccc([C@H]2C(CC(=O)[O-])C(=O)C(=O)N2c2ccccc2)cc1	ZINC000020440464	295246974	/nfs/dbraw/zinc/24/69/74/295246974.db2.gz	GHAMAABQYIMQSA-KRWDZBQOSA-N	-1	0	339.347	3.070	50	0		EGAARM
Cc1c2c(cc(=O)n1Cc1cccs1)[n-]n(-c1ccccc1)c2=O	ZINC000102492503	301014857	/nfs/dbraw/zinc/01/48/57/301014857.db2.gz	CYRYPHQOFWVLSB-UHFFFAOYSA-N	-1	0	337.404	3.263	50	0		EGAARM
Cc1cc(C(F)(F)F)nc2nn3c(nc(C4CC4)cc3C(=O)[O-])c21	ZINC000013645636	301160345	/nfs/dbraw/zinc/16/03/45/301160345.db2.gz	PLSRXYOCYNWVIO-UHFFFAOYSA-N	-1	0	336.273	3.180	50	0		EGAARM
Cn1ccc2ccc(C(=O)N[C@]3(C(=O)[O-])CCCc4ccccc43)cc21	ZINC000095510328	302956363	/nfs/dbraw/zinc/95/63/63/302956363.db2.gz	JHEMVBXCCVGYKF-OAQYLSRUSA-N	-1	0	348.402	3.225	50	0		EGAARM
COc1ccc([C@@H]2SCC(=O)N2c2cccc(C(=O)[O-])c2)cc1	ZINC000000076070	452501010	/nfs/dbraw/zinc/50/10/10/452501010.db2.gz	RZXLXYBJMSQEIF-INIZCTEOSA-N	-1	0	329.377	3.172	50	0		EGAARM
O=C([O-])[C@@H]1CS[C@@H](c2ccc(OCc3ccccc3F)cc2)N1	ZINC000000088405	452503634	/nfs/dbraw/zinc/50/36/34/452503634.db2.gz	DCSDVVSNCGVNKC-HOTGVXAUSA-N	-1	0	333.384	3.193	50	0		EGAARM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3s2)cc1	ZINC000000121224	452514447	/nfs/dbraw/zinc/51/44/47/452514447.db2.gz	UFCIJXMPMHBRTO-UHFFFAOYSA-N	-1	0	347.421	3.056	50	0		EGAARM
Cc1sc2ncn(CC(=O)[O-])c(=O)c2c1-c1ccc(C)c(C)c1	ZINC000000148664	452523568	/nfs/dbraw/zinc/52/35/68/452523568.db2.gz	XLQPQJBERZGEDY-UHFFFAOYSA-N	-1	0	328.393	3.135	50	0		EGAARM
Cc1cc(C)c(S(=O)(=O)[N-]c2nnc(CC(C)C)s2)c(C)c1	ZINC000000250096	452546056	/nfs/dbraw/zinc/54/60/56/452546056.db2.gz	IEBHKPVWBNNSNZ-UHFFFAOYSA-N	-1	0	339.486	3.463	50	0		EGAARM
COc1ccc(OC)c(NC(=O)[C@H]2CC[C@](C)(C(=O)[O-])C2(C)C)c1	ZINC000000339836	452565353	/nfs/dbraw/zinc/56/53/53/452565353.db2.gz	FDXWBDFSWCCKEG-KZULUSFZSA-N	-1	0	335.400	3.169	50	0		EGAARM
CCOc1cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)ccc1F	ZINC000000384746	452575453	/nfs/dbraw/zinc/57/54/53/452575453.db2.gz	VSUUOVOIPALBSG-UHFFFAOYSA-N	-1	0	330.768	3.074	50	0		EGAARM
C[C@@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1ccccc1-c1ccccc1	ZINC000000477049	452603820	/nfs/dbraw/zinc/60/38/20/452603820.db2.gz	GQGZYKYUMLHPDY-LLVKDONJSA-N	-1	0	336.313	3.359	50	0		EGAARM
COc1ccc(OCC(=O)Nc2cc(Cl)ccc2C(=O)[O-])cc1	ZINC000001178430	452647200	/nfs/dbraw/zinc/64/72/00/452647200.db2.gz	XFCZRVAPVVVENK-UHFFFAOYSA-N	-1	0	335.743	3.064	50	0		EGAARM
O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Br)cc1F	ZINC000002734359	452719063	/nfs/dbraw/zinc/71/90/63/452719063.db2.gz	LGLQLMOMMALFKA-VHSXEESVSA-N	-1	0	342.164	3.194	50	0		EGAARM
O=C([O-])c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1	ZINC000002882165	452734308	/nfs/dbraw/zinc/73/43/08/452734308.db2.gz	AKPAXFIVLVXWKY-UHFFFAOYSA-N	-1	0	346.191	3.492	50	0		EGAARM
COc1cc(OC)c([N-]S(=O)(=O)c2ccc(F)cc2)cc1Cl	ZINC000005526563	452881093	/nfs/dbraw/zinc/88/10/93/452881093.db2.gz	INLWWVHAUACJGN-UHFFFAOYSA-N	-1	0	345.779	3.297	50	0		EGAARM
O=C([O-])CNC(=O)/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	ZINC000005713939	452897783	/nfs/dbraw/zinc/89/77/83/452897783.db2.gz	GWUQEYIBYHMNGM-FNORWQNLSA-N	-1	0	339.269	3.179	50	0		EGAARM
Nc1c(-c2n[n-]c(=S)n2-c2ccccc2)cnn1-c1ccccc1	ZINC000008382918	453198690	/nfs/dbraw/zinc/19/86/90/453198690.db2.gz	YNGYXHKONFSDMU-UHFFFAOYSA-N	-1	0	334.408	3.365	50	0		EGAARM
O=C([O-])CSCC(=O)N(Cc1ccccc1)Cc1ccccc1	ZINC000017067498	453627453	/nfs/dbraw/zinc/62/74/53/453627453.db2.gz	MIGOVZCHFBTJPY-UHFFFAOYSA-N	-1	0	329.421	3.033	50	0		EGAARM
CC(C)(C)OC(=O)N[C@H](C(=O)[O-])c1cccc(Br)c1	ZINC000026423371	453799535	/nfs/dbraw/zinc/79/95/35/453799535.db2.gz	ZHAAYALRXSZQLX-JTQLQIEISA-N	-1	0	330.178	3.100	50	0		EGAARM
CC(C)C(=O)Nc1cccc(NC(=O)Cc2ccccc2C(=O)[O-])c1	ZINC000070666643	454170325	/nfs/dbraw/zinc/17/03/25/454170325.db2.gz	RFOGCQIAHYFUDM-UHFFFAOYSA-N	-1	0	340.379	3.161	50	0	biogenic	EGAARM
Cc1nc(C(C)C)sc1C(=O)N[C@@H](C(=O)[O-])c1ccccc1F	ZINC000095523321	454228116	/nfs/dbraw/zinc/22/81/16/454228116.db2.gz	OABTVPLHKSHFHY-GFCCVEGCSA-N	-1	0	336.388	3.270	50	0		EGAARM
CC(C)n1[nH]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(C(=O)[O-])cc1	ZINC000079491363	454423528	/nfs/dbraw/zinc/42/35/28/454423528.db2.gz	SDZMEDNYASNLEQ-ZDUSSCGKSA-N	-1	0	347.396	3.292	50	0		EGAARM
CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccccc2N2CCCC2)C1	ZINC000091650041	454454859	/nfs/dbraw/zinc/45/48/59/454454859.db2.gz	WTYMSEXIDXINRQ-LJQANCHMSA-N	-1	0	330.428	3.004	50	0		EGAARM
Cc1cc(C(=O)CCC(=O)N[C@H](C(=O)[O-])c2ccccc2)c(C)s1	ZINC000170811338	454981799	/nfs/dbraw/zinc/98/17/99/454981799.db2.gz	XTCOYPIQILIOLN-KRWDZBQOSA-N	-1	0	345.420	3.270	50	0		EGAARM
O=C([O-])c1ccc(CNC(=O)c2ccc(Oc3ccccc3)o2)o1	ZINC000220199881	456038647	/nfs/dbraw/zinc/03/86/47/456038647.db2.gz	VJQFFZAKUYNDGC-UHFFFAOYSA-N	-1	0	327.292	3.293	50	0		EGAARM
CCCc1nc(=NC[C@H](c2ccc(Cl)cc2)n2ccnc2)s[n-]1	ZINC000585139192	459828999	/nfs/dbraw/zinc/82/89/99/459828999.db2.gz	OVLRMUGXRSMJDO-CQSZACIVSA-N	-1	0	347.875	3.464	50	0		EGAARM
Cc1ccc(CNC(=O)c2c([O-])c3cccc4c3n(c2=O)[C@@H](C)C4)cc1	ZINC000170624685	534046633	/nfs/dbraw/zinc/04/66/33/534046633.db2.gz	JGUFXLGWWVDUOJ-ZDUSSCGKSA-N	-1	0	348.402	3.063	50	0		EGAARM
COc1cc(O)ccc1-c1nccn1[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000071614932	1292267709	/nfs/dbraw/zinc/26/77/09/1292267709.db2.gz	VILBLFVGTRWIOV-MRXNPFEDSA-N	-1	0	338.363	3.133	50	0		EGAARM
CC[C@H](C)Sc1nnc([N-]S(=O)(=O)Cc2ccccc2)s1	ZINC000004731642	210262680	/nfs/dbraw/zinc/26/26/80/210262680.db2.gz	GTUJSGMBKHZIQR-JTQLQIEISA-N	-1	0	343.499	3.371	50	0		EGAARM
O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000004652310	210238821	/nfs/dbraw/zinc/23/88/21/210238821.db2.gz	FVUAQZYJHCRJGO-WDEREUQCSA-N	-1	0	328.195	3.277	50	0		EGAARM
COc1ccc(CN2C(=O)CC[C@H](C(=O)[O-])[C@@H]2c2ccccc2)cc1	ZINC000004650731	210237594	/nfs/dbraw/zinc/23/75/94/210237594.db2.gz	DXPXRAGPKFGOQD-HKUYNNGSSA-N	-1	0	339.391	3.260	50	0		EGAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(C)cc4)c=3c2=O)cc1	ZINC000004483641	210199497	/nfs/dbraw/zinc/19/94/97/210199497.db2.gz	LIMLRDTWIZAIDC-QZTJIDSGSA-N	-1	0	348.406	3.051	50	0		EGAARM
Cn1c2ccccc2c([O-])c(C(=O)NC2CCCCCCC2)c1=O	ZINC000100515988	219101161	/nfs/dbraw/zinc/10/11/61/219101161.db2.gz	ATOBZIKJNPMPRM-UHFFFAOYSA-N	-1	0	328.412	3.087	50	0		EGAARM
O=C(Nc1cccc(Cl)c1)c1c([O-])c2cccc3c2n(c1=O)CC3	ZINC000100621267	219102979	/nfs/dbraw/zinc/10/29/79/219102979.db2.gz	XQDPPBTZEKCAFQ-UHFFFAOYSA-N	-1	0	340.766	3.169	50	0		EGAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4C)c=3c2=O)cc1	ZINC000101167692	219117886	/nfs/dbraw/zinc/11/78/86/219117886.db2.gz	FWTWOUCONSBOKO-MSOLQXFVSA-N	-1	0	348.406	3.051	50	0		EGAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(-c4cc(C)cc(C)c4)c=3c2=O)cc1	ZINC000102807969	219232046	/nfs/dbraw/zinc/23/20/46/219232046.db2.gz	XVSCYKPGYCYGES-QZTJIDSGSA-N	-1	0	348.406	3.364	50	0		EGAARM
C[C@H](CCc1ccccc1)NC(=O)[C@@H]1C2CCC(CC2)[C@@H]1C(=O)[O-]	ZINC000040488453	213318236	/nfs/dbraw/zinc/31/82/36/213318236.db2.gz	PQDZNBIUIOMHAV-XNKYFZPBSA-N	-1	0	329.440	3.261	50	0		EGAARM
CC(C)C[C@H](NC(=O)CCn1ccc2c1cccc2Cl)C(=O)[O-]	ZINC000040310290	213291015	/nfs/dbraw/zinc/29/10/15/213291015.db2.gz	XRXILJVGUFRWOZ-AWEZNQCLSA-N	-1	0	336.819	3.300	50	0	biogenic	EGAARM
CC(=O)N(CC(=O)[O-])c1c2ccccc2oc1C(=O)c1ccccc1	ZINC000039177278	213231744	/nfs/dbraw/zinc/23/17/44/213231744.db2.gz	BEWXPDJCHMFVEL-UHFFFAOYSA-N	-1	0	337.331	3.101	50	0		EGAARM
C[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])C12CC3CC(CC(C3)C1)C2	ZINC000004019410	299227432	/nfs/dbraw/zinc/22/74/32/299227432.db2.gz	LWNFGAHZGNWAKY-PKICGZEPSA-N	-1	0	331.456	3.375	50	0		EGAARM
Cc1ccc(-c2nnc(SCC(=O)[O-])n2Cc2ccco2)cc1	ZINC000037407992	213144475	/nfs/dbraw/zinc/14/44/75/213144475.db2.gz	ONMJIVMGJBLLCA-UHFFFAOYSA-N	-1	0	329.381	3.072	50	0		EGAARM
CCOc1cc(C)c(CN2CCOC[C@@H]2CC(=O)[O-])cc1C(C)C	ZINC000072163988	216053039	/nfs/dbraw/zinc/05/30/39/216053039.db2.gz	PVXPOGLQTLFRPG-INIZCTEOSA-N	-1	0	335.444	3.193	50	0		EGAARM
Cc1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])ccc1Br	ZINC000000402021	209569994	/nfs/dbraw/zinc/56/99/94/209569994.db2.gz	CDPVUHDUJSDMNP-RYUDHWBXSA-N	-1	0	338.201	3.363	50	0		EGAARM
Cc1cc(NC(=O)CCC(=O)[O-])ccc1NC(=O)c1cccs1	ZINC000000319695	209535650	/nfs/dbraw/zinc/53/56/50/209535650.db2.gz	VCJJWOYJQWKTQT-UHFFFAOYSA-N	-1	0	332.381	3.112	50	0		EGAARM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2cccc(Cl)c2C)cc1	ZINC000000228043	209497067	/nfs/dbraw/zinc/49/70/67/209497067.db2.gz	LPCJPUZGVQNHLG-UHFFFAOYSA-N	-1	0	338.816	3.467	50	0		EGAARM
COc1ccccc1-c1csc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)n1	ZINC000072401888	216194174	/nfs/dbraw/zinc/19/41/74/216194174.db2.gz	XFSYNAPPBLFGFJ-OLZOCXBDSA-N	-1	0	346.408	3.114	50	0		EGAARM
C[C@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21)C(=O)[O-]	ZINC000072400643	216194374	/nfs/dbraw/zinc/19/43/74/216194374.db2.gz	HXAIXSWZAUFOQG-NSHDSACASA-N	-1	0	338.338	3.244	50	0		EGAARM
CCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccccc2F)cc1	ZINC000000105069	209423221	/nfs/dbraw/zinc/42/32/21/209423221.db2.gz	NGRNCHBKOOGMOK-INIZCTEOSA-N	-1	0	331.343	3.170	50	0		EGAARM
COc1ccc([N-]S(=O)(=O)c2c(C)cc(C)nc2Cl)cc1	ZINC000000053825	209392183	/nfs/dbraw/zinc/39/21/83/209392183.db2.gz	QQJFWBWLPMWNJU-UHFFFAOYSA-N	-1	0	326.805	3.161	50	0		EGAARM
Cc1ccc(OC2(C(=O)[O-])CCN(C(=O)C[C@@H]3C=CCC3)CC2)cc1	ZINC000072463160	216245303	/nfs/dbraw/zinc/24/53/03/216245303.db2.gz	DNCHVQFRNWODIZ-MRXNPFEDSA-N	-1	0	343.423	3.176	50	0		EGAARM
CCCC[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-]	ZINC000227154874	242123355	/nfs/dbraw/zinc/12/33/55/242123355.db2.gz	SYWBBABANUUJRN-KRWDZBQOSA-N	-1	0	347.436	3.275	50	0		EGAARM
CC(C)c1nnsc1CN(C)Cc1nc(=O)c2sccc2[n-]1	ZINC000253537362	244015601	/nfs/dbraw/zinc/01/56/01/244015601.db2.gz	RDRKVTUWCIMHFS-UHFFFAOYSA-N	-1	0	335.458	3.004	50	0		EGAARM
O=C([O-])c1ccc(CNC(=O)Nc2ccccc2Br)cc1	ZINC000013745450	211629497	/nfs/dbraw/zinc/62/94/97/211629497.db2.gz	AYXLQSUTUKJXHT-UHFFFAOYSA-N	-1	0	349.184	3.469	50	0		EGAARM
Cc1ccsc1C1N=NC(=S)N1Cc1cccc(C(=O)[O-])c1	ZINC000012391714	211367914	/nfs/dbraw/zinc/36/79/14/211367914.db2.gz	IDXMJFUWNWPZEX-UHFFFAOYSA-N	-1	0	331.422	3.350	50	0		EGAARM
CC[C@]1(C(=O)[O-])CCCN(C(=O)c2c[nH]nc2-c2cccc(C)c2)C1	ZINC000091505126	218015077	/nfs/dbraw/zinc/01/50/77/218015077.db2.gz	PDGVSKMAFTVVCC-IBGZPJMESA-N	-1	0	341.411	3.102	50	0		EGAARM
Cc1cc(NCc2ncc3c(n2)CCC3)nc(-c2ccccc2[O-])n1	ZINC000091595853	218029719	/nfs/dbraw/zinc/02/97/19/218029719.db2.gz	YSKMFLRRUUCFJM-UHFFFAOYSA-N	-1	0	333.395	3.048	50	0		EGAARM
CC(C)C(=O)Nc1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1	ZINC000009231695	211055974	/nfs/dbraw/zinc/05/59/74/211055974.db2.gz	MMZYHOUDUFRKGY-GJZGRUSLSA-N	-1	0	332.400	3.111	50	0		EGAARM
O=C([O-])c1cc2cc(Br)cc(Br)c2oc1=O	ZINC000000132750	304229263	/nfs/dbraw/zinc/22/92/63/304229263.db2.gz	KJFIZDKBEUTEPR-UHFFFAOYSA-N	-1	0	347.946	3.016	50	0		EGAARM
Cc1c2ccc(OCc3ccccc3F)cc2oc(=O)c1CC(=O)[O-]	ZINC000005047384	210374100	/nfs/dbraw/zinc/37/41/00/210374100.db2.gz	NTKNBBKJKDYWCP-UHFFFAOYSA-N	-1	0	342.322	3.447	50	0		EGAARM
CC[C@@H]1CN(Cc2ccc(OCc3ccc(C(=O)[O-])o3)cc2)CCO1	ZINC000097604129	219040030	/nfs/dbraw/zinc/04/00/30/219040030.db2.gz	KRJLNELASSYPQF-OAHLLOKOSA-N	-1	0	345.395	3.168	50	0		EGAARM
Cc1cnc(-n2ncc(C(=O)[O-])c2C2CC2)nc1-c1cccs1	ZINC000299786466	258093475	/nfs/dbraw/zinc/09/34/75/258093475.db2.gz	LVMSLCAYFBMPHY-UHFFFAOYSA-N	-1	0	326.381	3.275	50	0		EGAARM
O=C([O-])[C@@H]1CCCC=C1C(=O)Nc1ccccc1N1CCCCC1	ZINC000000153054	135645623	/nfs/dbraw/zinc/64/56/23/135645623.db2.gz	TXFIHWNQICKWKX-OAHLLOKOSA-N	-1	0	328.412	3.427	50	0		EGAARM
COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)[O-])cc3N2)c1	ZINC000004825192	295316772	/nfs/dbraw/zinc/31/67/72/295316772.db2.gz	LDNKVPOAPZQKIK-JQWIXIFHSA-N	-1	0	341.289	3.250	50	0		EGAARM
C[C@@]1(C2CCCCC2)Cc2ccccc2-c2nc3[n-]ncn3c(=O)c21	ZINC000102083813	297888459	/nfs/dbraw/zinc/88/84/59/297888459.db2.gz	XZYSRSSYTKYQTK-FQEVSTJZSA-N	-1	0	334.423	3.479	50	0		EGAARM
O=C([O-])[C@H]1CS[C@@H](c2ccc(OCc3ccccc3F)cc2)N1	ZINC000000088399	452504008	/nfs/dbraw/zinc/50/40/08/452504008.db2.gz	DCSDVVSNCGVNKC-CVEARBPZSA-N	-1	0	333.384	3.193	50	0		EGAARM
Cc1cc(OCC(=O)[O-])c2c(C)c(Cc3ccccc3)c(=O)oc2c1	ZINC000000454681	452597397	/nfs/dbraw/zinc/59/73/97/452597397.db2.gz	BUXSBYXHQMQTOF-UHFFFAOYSA-N	-1	0	338.359	3.464	50	0		EGAARM
COCCCNc1nc(-c2cccc(OC)c2[O-])nc2ccccc21	ZINC000002228987	452690462	/nfs/dbraw/zinc/69/04/62/452690462.db2.gz	WYVMZLXLEYQERZ-UHFFFAOYSA-N	-1	0	339.395	3.459	50	0		EGAARM
Cc1nc2sc3c(c2c2nc(/C=C/C(=O)[O-])nn21)[C@H](C)CCC3	ZINC000002323683	452691888	/nfs/dbraw/zinc/69/18/88/452691888.db2.gz	UZXXGKUKUBLYJW-HYDMIIDASA-N	-1	0	328.397	3.185	50	0		EGAARM
CCCCOC(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1	ZINC000002729560	452716806	/nfs/dbraw/zinc/71/68/06/452716806.db2.gz	FNKRETGBTXXBRB-HOTGVXAUSA-N	-1	0	347.411	3.473	50	0		EGAARM
COc1cc(C=O)ccc1OCCCOc1ccccc1C(=O)[O-]	ZINC000002994756	452737959	/nfs/dbraw/zinc/73/79/59/452737959.db2.gz	ARMODUMADBVIPT-UHFFFAOYSA-N	-1	0	330.336	3.054	50	0		EGAARM
Cc1ccc(OCC[N-]C(=S)SCC(=O)OC(C)(C)C)cc1	ZINC000003141801	452746818	/nfs/dbraw/zinc/74/68/18/452746818.db2.gz	YBFUREYIPPTSFZ-UHFFFAOYSA-N	-1	0	341.498	3.323	50	0		EGAARM
CCOC(=O)c1ccc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])cc1	ZINC000004818753	452819522	/nfs/dbraw/zinc/81/95/22/452819522.db2.gz	RCLVXILSHQBSON-JKSUJKDBSA-N	-1	0	345.395	3.249	50	0		EGAARM
CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1	ZINC000005516093	452880582	/nfs/dbraw/zinc/88/05/82/452880582.db2.gz	LCOBMYOUALVYHR-UHFFFAOYSA-N	-1	0	333.409	3.483	50	0		EGAARM
CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2Cl)C1	ZINC000005976555	452913855	/nfs/dbraw/zinc/91/38/55/452913855.db2.gz	PGJXFBYJBMDMRZ-VXGBXAGGSA-N	-1	0	325.792	3.375	50	0		EGAARM
CCCCCCNC(CC)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O	ZINC000006379779	452938607	/nfs/dbraw/zinc/93/86/07/452938607.db2.gz	UDBUUEYUNKBXQT-FOCLMDBBSA-N	-1	0	349.475	3.232	50	0		EGAARM
Cc1ccc(C(=O)Nc2ccccc2-c2n[nH]c(=S)[n-]c2=O)s1	ZINC000006565428	452954479	/nfs/dbraw/zinc/95/44/79/452954479.db2.gz	BTCGEQZQWCNCCN-UHFFFAOYSA-N	-1	0	344.421	3.117	50	0		EGAARM
CC(C)(C)[C@H]1CCc2c(sc3ncn(CCC(=O)[O-])c(=O)c32)C1	ZINC000011768225	453333360	/nfs/dbraw/zinc/33/33/60/453333360.db2.gz	BPEOUPZOWSDSIS-JTQLQIEISA-N	-1	0	334.441	3.084	50	0		EGAARM
C[C@@H]1CCc2nc([N-]S(=O)(=O)c3cc(F)ccc3F)sc2C1	ZINC000014221930	453521526	/nfs/dbraw/zinc/52/15/26/453521526.db2.gz	YKXIHAZDGMKFFF-MRVPVSSYSA-N	-1	0	344.408	3.347	50	0		EGAARM
CCCc1ccccc1O[C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1	ZINC000014632470	453540028	/nfs/dbraw/zinc/54/00/28/453540028.db2.gz	PEOKUVOKSORQBL-GJZGRUSLSA-N	-1	0	349.427	3.481	50	0		EGAARM
CCCc1nc2sc3c([n-]cnc3=O)c2c2c1COC(C)(C)C2	ZINC000018068875	453641951	/nfs/dbraw/zinc/64/19/51/453641951.db2.gz	XXIVANWNDYLQHQ-UHFFFAOYSA-N	-1	0	329.425	3.337	50	0		EGAARM
CCCc1c([O-])nc(Nc2nc(C)c3cc(C)c(C)cc3n2)[nH]c1=O	ZINC000018059108	453642312	/nfs/dbraw/zinc/64/23/12/453642312.db2.gz	SNMRFEBTBUWDMJ-UHFFFAOYSA-N	-1	0	339.399	3.040	50	0		EGAARM
CCc1cc2c(nc(-c3ccccc3)nc2N(C)CC(=O)[O-])s1	ZINC000041090416	453955478	/nfs/dbraw/zinc/95/54/78/453955478.db2.gz	QJDNFNZYKVYCHU-UHFFFAOYSA-N	-1	0	327.409	3.442	50	0		EGAARM
COc1ccc([N-]S(=O)(=O)c2cc(-c3ccno3)cs2)cc1	ZINC000044921280	454127136	/nfs/dbraw/zinc/12/71/36/454127136.db2.gz	SRGSOFZKSHHSHS-UHFFFAOYSA-N	-1	0	336.394	3.213	50	0		EGAARM
COc1cccc(OC[C@H]2CCCN(c3cccc(C(=O)[O-])n3)C2)c1	ZINC000095521569	454227581	/nfs/dbraw/zinc/22/75/81/454227581.db2.gz	ADPSWGCDSWRJFD-AWEZNQCLSA-N	-1	0	342.395	3.084	50	0		EGAARM
Cc1nc(C(C)C)sc1C(=O)N[C@H](C(=O)[O-])c1ccccc1F	ZINC000095523320	454228016	/nfs/dbraw/zinc/22/80/16/454228016.db2.gz	OABTVPLHKSHFHY-LBPRGKRZSA-N	-1	0	336.388	3.270	50	0		EGAARM
COc1cc(C)cc(OC)c1-c1nc2cc(C(=O)[O-])ccc2n1C	ZINC000534587395	459335023	/nfs/dbraw/zinc/33/50/23/459335023.db2.gz	STNIMBOODHVCNM-UHFFFAOYSA-N	-1	0	326.352	3.264	50	0		EGAARM
COc1cc(C(=O)N2CCC[C@@H]2c2nc(C(=O)[O-])cs2)ccc1C	ZINC000585134377	459827886	/nfs/dbraw/zinc/82/78/86/459827886.db2.gz	QBXMRAAZBZHVSD-CYBMUJFWSA-N	-1	0	346.408	3.136	50	0		EGAARM
CCC[C@H](NC(=O)N(C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-]	ZINC000670460120	548219609	/nfs/dbraw/zinc/21/96/09/548219609.db2.gz	UYRKVFHKIZXCTK-LBPRGKRZSA-N	-1	0	332.322	3.100	50	0		EGAARM
O=C([O-])c1ccc(Cn2ccnc2-c2ccc(-c3cc[nH]n3)o2)s1	ZINC000071751320	1292267702	/nfs/dbraw/zinc/26/77/02/1292267702.db2.gz	RQNFIJCFJYSPLB-UHFFFAOYSA-N	-1	0	340.364	3.341	50	0		EGAARM
O=C([O-])[C@H](CCF)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000230130164	1296161310	/nfs/dbraw/zinc/16/13/10/1296161310.db2.gz	AUWZDDFQQXJWBJ-KRWDZBQOSA-N	-1	0	343.354	3.338	50	0		EGAARM
Cc1cc(Cl)cc2c(N3C[C@@H]4COCC[C@]4(C(=O)[O-])C3)ccnc12	ZINC001772710940	1441417273	/nfs/dbraw/zinc/41/72/73/1441417273.db2.gz	UTFAGHYVNGMUJB-XIKOKIGWSA-N	-1	0	346.814	3.124	50	0		EGAARM
COc1ccc(OC)c([N-]S(=O)(=O)Cc2ccccc2Cl)c1	ZINC000004740651	210266102	/nfs/dbraw/zinc/26/61/02/210266102.db2.gz	MRLOYYAULJLADL-UHFFFAOYSA-N	-1	0	341.816	3.299	50	0		EGAARM
Cc1ccc(NC(=O)CSc2nc(=O)c3sccc3[n-]2)cc1C	ZINC000051317182	214087085	/nfs/dbraw/zinc/08/70/85/214087085.db2.gz	ZEECJZRLLHYPDT-UHFFFAOYSA-N	-1	0	345.449	3.332	50	0		EGAARM
O=C([O-])CNC(=S)N(Cc1ccccc1Cl)C1CCCCC1	ZINC000004670149	210242620	/nfs/dbraw/zinc/24/26/20/210242620.db2.gz	XZXBECFETLAVCH-UHFFFAOYSA-N	-1	0	340.876	3.434	50	0		EGAARM
O=S(=O)([N-]C(=S)Nc1ccccc1)c1ccc(Cl)cc1	ZINC000004513457	210210018	/nfs/dbraw/zinc/21/00/18/210210018.db2.gz	UWQMOELQEXJTGQ-UHFFFAOYSA-N	-1	0	326.830	3.015	50	0		EGAARM
CCn1nc(NC(=O)CCCC(=O)[O-])c2cc3cccc(C)c3nc21	ZINC000004502248	210206508	/nfs/dbraw/zinc/20/65/08/210206508.db2.gz	SZWRRRYKPUHHLT-UHFFFAOYSA-N	-1	0	340.383	3.106	50	0		EGAARM
CCCCc1ccc(NC(=O)C[C@H](NCc2ccco2)C(=O)[O-])cc1	ZINC000004318844	210169095	/nfs/dbraw/zinc/16/90/95/210169095.db2.gz	VQFVRHRJBGVWKJ-KRWDZBQOSA-N	-1	0	344.411	3.194	50	0		EGAARM
CC(C)(C)OC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1	ZINC000004241601	210149957	/nfs/dbraw/zinc/14/99/57/210149957.db2.gz	NSBYJYHHDUOADW-QWHCGFSZSA-N	-1	0	325.792	3.375	50	0		EGAARM
C[C@@]1(C(=O)[O-])CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@]4(O)CO)CC[C@H]12	ZINC000004097891	210119515	/nfs/dbraw/zinc/11/95/15/210119515.db2.gz	MRBLTWPEPGRXQN-INIPNLRTSA-N	-1	0	336.472	3.207	50	0	biogenic,in-vitro	EGAARM
COc1ccc2c(C=O)c(C(=O)[O-])n(Cc3ccc(F)cc3)c2c1	ZINC000045795944	213756286	/nfs/dbraw/zinc/75/62/86/213756286.db2.gz	JNVIQNGRLJDZEV-UHFFFAOYSA-N	-1	0	327.311	3.348	50	0		EGAARM
O=C(Nc1ccc(F)cc1)c1c([O-])c2cccc3c2n(c1=O)CCC3	ZINC000100613743	304002274	/nfs/dbraw/zinc/00/22/74/304002274.db2.gz	JQAWYYUXGOOSPZ-UHFFFAOYSA-N	-1	0	338.338	3.045	50	0		EGAARM
CC(C)(C)OC(=O)N[C@](C)(C(=O)[O-])c1ccc(Br)cc1	ZINC000069550217	215469097	/nfs/dbraw/zinc/46/90/97/215469097.db2.gz	KXDMYNYXKAUFFF-AWEZNQCLSA-N	-1	0	344.205	3.274	50	0		EGAARM
C=C/C(=C\C=C\C)N1C(=O)S[C@H](Nc2ccc(C(=O)[O-])cc2)C1=O	ZINC000039988986	213249332	/nfs/dbraw/zinc/24/93/32/213249332.db2.gz	UPMXVUQLIBGFNN-WHTXIRTBSA-N	-1	0	344.392	3.464	50	0		EGAARM
O=C([O-])[C@H](NC(=O)Cn1ccc2c1cccc2Cl)c1ccccc1	ZINC000036366952	213091056	/nfs/dbraw/zinc/09/10/56/213091056.db2.gz	MYZXBWYDOLSDIF-QGZVFWFLSA-N	-1	0	342.782	3.237	50	0		EGAARM
Cc1ccccc1C[C@]1(C(=O)[O-])CCCN(c2noc(C(C)C)n2)C1	ZINC000071762620	215817931	/nfs/dbraw/zinc/81/79/31/215817931.db2.gz	XBTFHEHQYXATRU-LJQANCHMSA-N	-1	0	343.427	3.415	50	0		EGAARM
COc1ccccc1C(=O)N1CC[C@@H](Cc2cccc(C(=O)[O-])c2)C1	ZINC000072167343	216057002	/nfs/dbraw/zinc/05/70/02/216057002.db2.gz	XFKQYQJAFXYNGW-HNNXBMFYSA-N	-1	0	339.391	3.098	50	0		EGAARM
CCn1c(SCC(=O)[O-])nnc1-c1ccc(Cl)cc1Cl	ZINC000000244800	209502616	/nfs/dbraw/zinc/50/26/16/209502616.db2.gz	MMEQDLUEWRRHGK-UHFFFAOYSA-N	-1	0	332.212	3.449	50	0		EGAARM
CCOc1ccc(S(=O)(=O)[N-]c2nccs2)c2ccccc12	ZINC000072414556	216204949	/nfs/dbraw/zinc/20/49/49/216204949.db2.gz	HEPQPUUYBCPWHH-UHFFFAOYSA-N	-1	0	334.422	3.496	50	0		EGAARM
Cc1ccc(C(=O)N2CCC(Oc3ccccc3)(C(=O)[O-])CC2)s1	ZINC000072432435	216226366	/nfs/dbraw/zinc/22/63/66/216226366.db2.gz	VMXMVDOSFWJNCY-UHFFFAOYSA-N	-1	0	345.420	3.195	50	0		EGAARM
O=C([O-])CCNC(=O)CCn1c(-c2ccccc2)cc2ccccc21	ZINC000020722126	212164152	/nfs/dbraw/zinc/16/41/52/212164152.db2.gz	WIBDVIWYLMNCIS-UHFFFAOYSA-N	-1	0	336.391	3.289	50	0		EGAARM
C[C@@H](C(=O)Nc1c(Cl)cccc1Cl)n1ccc(C(=O)[O-])n1	ZINC000020614572	212154938	/nfs/dbraw/zinc/15/49/38/212154938.db2.gz	UNFHSMSIMFIHSN-ZETCQYMHSA-N	-1	0	328.155	3.088	50	0		EGAARM
Cc1ccc(C[C@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]2C)cc1	ZINC000020032125	212095661	/nfs/dbraw/zinc/09/56/61/212095661.db2.gz	FSEOBRZHMXJHRR-CXAGYDPISA-N	-1	0	337.375	3.061	50	0		EGAARM
O=c1[n-]c(NCCc2c[nH]c3ccccc23)nnc1Cc1ccccc1	ZINC000009304709	211063389	/nfs/dbraw/zinc/06/33/89/211063389.db2.gz	SBHQLRSMMVMDPE-OAHLLOKOSA-N	-1	0	345.406	3.057	50	0		EGAARM
CC[C@H](C)[C@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)[O-]	ZINC000006224655	210603940	/nfs/dbraw/zinc/60/39/40/210603940.db2.gz	CONJVKOOFPYKRB-KWQFWETISA-N	-1	0	334.294	3.206	50	0		EGAARM
CCCOc1cc(S(=O)(=O)[N-]c2ccccn2)ccc1Cl	ZINC000004970376	210343470	/nfs/dbraw/zinc/34/34/70/210343470.db2.gz	IJLXBGRKNCUTSB-UHFFFAOYSA-N	-1	0	326.805	3.325	50	0		EGAARM
CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Cl)cn2)c1	ZINC000004937481	210330149	/nfs/dbraw/zinc/33/01/49/210330149.db2.gz	QLTIVRHXNBBVOL-UHFFFAOYSA-N	-1	0	326.805	3.107	50	0		EGAARM
COc1ccccc1[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)[O-])c2N1	ZINC000004827403	210289426	/nfs/dbraw/zinc/28/94/26/210289426.db2.gz	NRJIGCFSMOJIPE-PWSUYJOCSA-N	-1	0	341.289	3.250	50	0		EGAARM
COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)[O-])cc3N2)cc1	ZINC000000351357	295250688	/nfs/dbraw/zinc/25/06/88/295250688.db2.gz	OUGYIYVYHCQEET-ZYHUDNBSSA-N	-1	0	341.289	3.250	50	0		EGAARM
Cc1ccccc1[C@@H]1CN(C(=O)c2c(F)cccc2F)C[C@H]1C(=O)[O-]	ZINC000091849386	302154240	/nfs/dbraw/zinc/15/42/40/302154240.db2.gz	VTEVFZBMLFPVJM-UONOGXRCSA-N	-1	0	345.345	3.214	50	0		EGAARM
COc1ccc(NC(=O)c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1Cl	ZINC000000148417	452521682	/nfs/dbraw/zinc/52/16/82/452521682.db2.gz	ALLQFJGMILKBRY-JTQLQIEISA-N	-1	0	349.770	3.453	50	0		EGAARM
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)N1CCC(Cc2ccccc2)CC1	ZINC000000214455	452536750	/nfs/dbraw/zinc/53/67/50/452536750.db2.gz	ROMRGVRAGUOOTR-ROUUACIJSA-N	-1	0	327.424	3.135	50	0		EGAARM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C)ccc1OC	ZINC000000309022	452560846	/nfs/dbraw/zinc/56/08/46/452560846.db2.gz	GOZSARZTNRBCKB-UHFFFAOYSA-N	-1	0	341.816	3.466	50	0		EGAARM
COc1ccc(-c2nnc(SCC(=O)[O-])n2-c2ccccc2)cc1	ZINC000000407303	452579385	/nfs/dbraw/zinc/57/93/85/452579385.db2.gz	JEERZZPCEQJFBR-UHFFFAOYSA-N	-1	0	341.392	3.120	50	0		EGAARM
O=S(=O)([N-]c1cccc(F)c1)c1ccc(Br)s1	ZINC000000531863	452616689	/nfs/dbraw/zinc/61/66/89/452616689.db2.gz	YIDRFYMXBXQTRJ-UHFFFAOYSA-N	-1	0	336.207	3.451	50	0		EGAARM
Cc1ccc2nsnc2c1[N-]S(=O)(=O)c1ccc(F)c(C)c1	ZINC000001061946	452644625	/nfs/dbraw/zinc/64/46/25/452644625.db2.gz	IBMREOWQCODKPN-UHFFFAOYSA-N	-1	0	337.401	3.248	50	0		EGAARM
O=C([O-])CCCC(=O)N1CCC(c2nc3ccccc3s2)CC1	ZINC000001069467	452645548	/nfs/dbraw/zinc/64/55/48/452645548.db2.gz	MLMLBLATDCZWGD-UHFFFAOYSA-N	-1	0	332.425	3.257	50	0		EGAARM
CCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1[C@H](C)CCC2	ZINC000002480388	452699690	/nfs/dbraw/zinc/69/96/90/452699690.db2.gz	FWWGCVKUHKDZAJ-SECBINFHSA-N	-1	0	339.413	3.168	50	0		EGAARM
CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl	ZINC000002655688	452711894	/nfs/dbraw/zinc/71/18/94/452711894.db2.gz	SZYQKZSPWPXWMK-SSDOTTSWSA-N	-1	0	340.228	3.159	50	0		EGAARM
Cc1ccc2nc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])sc2c1	ZINC000004164293	452795393	/nfs/dbraw/zinc/79/53/93/452795393.db2.gz	JJKWXKZGNNDZNK-OAACRXHESA-N	-1	0	328.393	3.066	50	0		EGAARM
COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cn1	ZINC000006238679	452927590	/nfs/dbraw/zinc/92/75/90/452927590.db2.gz	XHNYLWBFQMQOTB-UHFFFAOYSA-N	-1	0	333.196	3.198	50	0		EGAARM
Cc1c(NC(=O)c2ccc(NC(=O)C3CC3)cc2)cccc1C(=O)[O-]	ZINC000006702345	452972474	/nfs/dbraw/zinc/97/24/74/452972474.db2.gz	GNLZCRVNRJUDNM-UHFFFAOYSA-N	-1	0	338.363	3.294	50	0		EGAARM
COc1ccc(Cl)cc1/C=C/C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000008187056	453175505	/nfs/dbraw/zinc/17/55/05/453175505.db2.gz	XHOLQPFBYLFEPZ-RMKNXTFCSA-N	-1	0	345.782	3.376	50	0		EGAARM
O=C1[N-]C(=O)/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)N1	ZINC000013518996	453467921	/nfs/dbraw/zinc/46/79/21/453467921.db2.gz	QLTLNJZPGUSDQQ-CXUHLZMHSA-N	-1	0	335.338	3.009	50	0		EGAARM
Cc1cc(NC(=O)CCC(=O)[O-])ccc1NC(=O)C1CCCCC1	ZINC000016527342	453610493	/nfs/dbraw/zinc/61/04/93/453610493.db2.gz	INSGFGMLMZRRJW-UHFFFAOYSA-N	-1	0	332.400	3.317	50	0		EGAARM
CCn1c(SCc2ccc(C(=O)[O-])cc2)nnc1-c1ccncc1	ZINC000016755468	453621094	/nfs/dbraw/zinc/62/10/94/453621094.db2.gz	XYSIXSPEURAESR-UHFFFAOYSA-N	-1	0	340.408	3.351	50	0		EGAARM
COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c(OC)c1	ZINC000017067135	453627376	/nfs/dbraw/zinc/62/73/76/453627376.db2.gz	YPHNTQXRHULGAI-UHFFFAOYSA-N	-1	0	327.789	3.158	50	0		EGAARM
O=c1c2ccccc2[n-]c(=S)n1Cc1cccc(Br)c1	ZINC000017072210	453629367	/nfs/dbraw/zinc/62/93/67/453629367.db2.gz	CCSFRCQSZCKTKT-UHFFFAOYSA-N	-1	0	347.237	3.496	50	0		EGAARM
COc1ccccc1NC(=O)N=c1[n-]nc(-c2cccc(F)c2)s1	ZINC000018128737	453644549	/nfs/dbraw/zinc/64/45/49/453644549.db2.gz	HLBZVTQBJKLZHZ-UHFFFAOYSA-N	-1	0	344.371	3.419	50	0		EGAARM
Cc1cc(C)c(S(=O)(=O)[N-]c2nnc(CC(C)C)s2)cc1C	ZINC000028248506	453822791	/nfs/dbraw/zinc/82/27/91/453822791.db2.gz	URNNXDDYCKCDLK-UHFFFAOYSA-N	-1	0	339.486	3.463	50	0		EGAARM
COc1ccccc1NC(=O)CSc1nc(=O)c2sccc2[n-]1	ZINC000032765488	453889090	/nfs/dbraw/zinc/88/90/90/453889090.db2.gz	DNJNDJDQAOXPAS-UHFFFAOYSA-N	-1	0	347.421	3.136	50	0		EGAARM
C[C@H](NC(=O)Cc1csc([N-]c2ncccn2)n1)c1ccccc1	ZINC000044227657	454092460	/nfs/dbraw/zinc/09/24/60/454092460.db2.gz	YSBWRGQQKKFGBD-LBPRGKRZSA-N	-1	0	339.424	3.097	50	0		EGAARM
Cn1c2ccccc2nc1-c1nccn1[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000071764738	454217050	/nfs/dbraw/zinc/21/70/50/454217050.db2.gz	UWGPENBBCPTZGD-KRWDZBQOSA-N	-1	0	346.390	3.305	50	0		EGAARM
COc1cccc([C@@H](C)Nc2nc(N)nc3ccc(C(=O)[O-])cc32)c1	ZINC000065386264	454557662	/nfs/dbraw/zinc/55/76/62/454557662.db2.gz	VVTNVIDXHIHPBX-SNVBAGLBSA-N	-1	0	338.367	3.092	50	0		EGAARM
CC[C@H](C)[C@@H](NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C)C(=O)[O-]	ZINC000253487659	455850841	/nfs/dbraw/zinc/85/08/41/455850841.db2.gz	NPVHAHSXDFHQIN-NILFDRSVSA-N	-1	0	347.415	3.328	50	0		EGAARM
O=C([O-])CCCCCCCCN1C(=O)C[C@@H](c2ccccc2)C1=O	ZINC000575442872	548087172	/nfs/dbraw/zinc/08/71/72/548087172.db2.gz	HYZCFVILPGXTLG-INIZCTEOSA-N	-1	0	331.412	3.344	50	0		EGAARM
CCC[C@H](NC(=O)N(Cc1ccncc1)C1CCCCC1)C(=O)[O-]	ZINC000670444421	548216163	/nfs/dbraw/zinc/21/61/63/548216163.db2.gz	BFKYGUOZJPHOCQ-INIZCTEOSA-N	-1	0	333.432	3.179	50	0		EGAARM
COc1ccc(Nc2ncc(Br)c(=O)[n-]2)cc1Cl	ZINC000642878250	1298100783	/nfs/dbraw/zinc/10/07/83/1298100783.db2.gz	XQPXBRVJZCWQST-UHFFFAOYSA-N	-1	0	330.569	3.350	50	0		EGAARM
C[C@@H]1CCC(=O)N1c1ccc(NC(=O)c2cccc(C(=O)[O-])c2)cc1	ZINC000952972147	1334627777	/nfs/dbraw/zinc/62/77/77/1334627777.db2.gz	FJSJTKSMZRORPG-GFCCVEGCSA-N	-1	0	338.363	3.152	50	0		EGAARM
CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc2c(c1)CCCC2	ZINC000219246278	1424335882	/nfs/dbraw/zinc/33/58/82/1424335882.db2.gz	KOHADOCSORWWFW-UHFFFAOYSA-N	-1	0	347.422	3.018	50	0		EGAARM
O=C([O-])COc1ccccc1-c1nccn1-c1ccc2c(c1)COC2	ZINC001772812029	1441417530	/nfs/dbraw/zinc/41/75/30/1441417530.db2.gz	GIBVHRDIXLOSNJ-UHFFFAOYSA-N	-1	0	336.347	3.033	50	0		EGAARM
CS(=O)(=O)N(Cc1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1	ZINC000004641509	210236238	/nfs/dbraw/zinc/23/62/38/210236238.db2.gz	SPWOGQXKCSXMRO-UHFFFAOYSA-N	-1	0	339.800	3.004	50	0		EGAARM
COCc1cc(=O)n2[n-]c(Cc3ccccc3)c(-c3ccccc3)c2n1	ZINC000100523662	219101085	/nfs/dbraw/zinc/10/10/85/219101085.db2.gz	KLJZNPRMSFJFGA-UHFFFAOYSA-N	-1	0	345.402	3.427	50	0		EGAARM
O=C([O-])Cn1c(COc2cccc3cccnc32)nc2ccccc21	ZINC000004386794	210186029	/nfs/dbraw/zinc/18/60/29/210186029.db2.gz	UPSORGOKQDKICC-UHFFFAOYSA-N	-1	0	333.347	3.248	50	0		EGAARM
Cc1cccc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1	ZINC000004029782	210103239	/nfs/dbraw/zinc/10/32/39/210103239.db2.gz	UCSQAXGFRAEICS-KRWDZBQOSA-N	-1	0	337.379	3.294	50	0	biogenic	EGAARM
CCCc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)[O-])cc1	ZINC000067172498	215120801	/nfs/dbraw/zinc/12/08/01/215120801.db2.gz	PWXIPGFHHCWCLP-UHFFFAOYSA-N	-1	0	339.438	3.224	50	0		EGAARM
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1nc(-c2ccccc2)cs1	ZINC000002759745	209904125	/nfs/dbraw/zinc/90/41/25/209904125.db2.gz	JHVAVFCAELQJSD-STQMWFEESA-N	-1	0	328.393	3.416	50	0		EGAARM
O=C([O-])[C@@H]1C=CCN1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000002583333	209871383	/nfs/dbraw/zinc/87/13/83/209871383.db2.gz	OALUMAMYGOBVTF-SFHVURJKSA-N	-1	0	335.359	3.261	50	0		EGAARM
CCCC[C@H](Nc1ncnc2ccc(Br)cc21)C(=O)[O-]	ZINC000001912283	209804932	/nfs/dbraw/zinc/80/49/32/209804932.db2.gz	GNNFTKZYDJXRCE-LBPRGKRZSA-N	-1	0	338.205	3.448	50	0		EGAARM
COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCO2	ZINC000038556570	213214498	/nfs/dbraw/zinc/21/44/98/213214498.db2.gz	QYSNDNLQDAQWBH-UHFFFAOYSA-N	-1	0	349.408	3.348	50	0		EGAARM
O=C([O-])c1ccc(-c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1	ZINC000034927270	213001004	/nfs/dbraw/zinc/00/10/04/213001004.db2.gz	RVXKFYPQIHUEPO-UHFFFAOYSA-N	-1	0	343.339	3.295	50	0		EGAARM
O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1Cl)C2=O	ZINC000000243221	295990635	/nfs/dbraw/zinc/99/06/35/295990635.db2.gz	KXGBUXGNQCHWAF-UHFFFAOYSA-N	-1	0	336.130	3.492	50	0		EGAARM
O=C([O-])Cc1c(F)c(Br)cc(F)c1Br	ZINC000263623983	304088011	/nfs/dbraw/zinc/08/80/11/304088011.db2.gz	MIBMQSIGKVSWTQ-UHFFFAOYSA-N	-1	0	329.922	3.117	50	0		EGAARM
CC(C)Oc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2cccs2)cc1	ZINC000000104992	209422591	/nfs/dbraw/zinc/42/25/91/209422591.db2.gz	BWJWWHYPCMZQSF-MRXNPFEDSA-N	-1	0	347.436	3.410	50	0		EGAARM
Cc1ccccc1OC1(C(=O)[O-])CCN(C(=O)c2cccs2)CC1	ZINC000072410574	216202468	/nfs/dbraw/zinc/20/24/68/216202468.db2.gz	BVVVJWJCEHYNRJ-UHFFFAOYSA-N	-1	0	345.420	3.195	50	0		EGAARM
COc1ccc2nc([N-]S(=O)(=O)c3ccc(F)cc3)sc2c1	ZINC000000068382	209399240	/nfs/dbraw/zinc/39/92/40/209399240.db2.gz	UYBFZAINKUPHDN-UHFFFAOYSA-N	-1	0	338.385	3.245	50	0		EGAARM
Cc1ccc(OC2(C(=O)[O-])CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc1	ZINC000072432218	216225492	/nfs/dbraw/zinc/22/54/92/216225492.db2.gz	YFNQUIQHKNKFMC-MRXNPFEDSA-N	-1	0	343.423	3.176	50	0		EGAARM
Cc1oc([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)nc1C(=O)[O-]	ZINC000218910753	241351173	/nfs/dbraw/zinc/35/11/73/241351173.db2.gz	RWJKXZBZQFDKFQ-ZDUSSCGKSA-N	-1	0	346.383	3.490	50	0		EGAARM
O=C([O-])CCCNC(=O)c1cc(-c2ccccc2)nc2ccccc21	ZINC000020200080	212111138	/nfs/dbraw/zinc/11/11/38/212111138.db2.gz	WYUSFVVZGPDBCR-UHFFFAOYSA-N	-1	0	334.375	3.496	50	0		EGAARM
Cc1c(C(=O)[O-])sc2ncn(Cc3cccc(Cl)c3)c(=O)c12	ZINC000013417139	211556149	/nfs/dbraw/zinc/55/61/49/211556149.db2.gz	NRVJODJYOMURON-UHFFFAOYSA-N	-1	0	334.784	3.166	50	0		EGAARM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1nc(-c2ccccc2)cs1	ZINC000004164305	304211716	/nfs/dbraw/zinc/21/17/16/304211716.db2.gz	RPODMOJFOQMYGO-OSRDXIQISA-N	-1	0	340.404	3.272	50	0		EGAARM
CCn1c(C)cc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1C	ZINC000091626178	218035575	/nfs/dbraw/zinc/03/55/75/218035575.db2.gz	KOEJJQSMDJHDHL-ZWKOTPCHSA-N	-1	0	340.423	3.065	50	0		EGAARM
COc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C)[nH]n3)s2)cc1	ZINC000009686398	211113152	/nfs/dbraw/zinc/11/31/52/211113152.db2.gz	WEBRHOOPHYCGFN-UHFFFAOYSA-N	-1	0	349.437	3.256	50	0		EGAARM
O=C([O-])c1ccc([C@H]2CCCN(C(=O)CCc3ccncc3)C2)cc1	ZINC000095359400	218292722	/nfs/dbraw/zinc/29/27/22/218292722.db2.gz	MCAFWOSDINQKGK-SFHVURJKSA-N	-1	0	338.407	3.119	50	0		EGAARM
CCc1cc(Br)cc(Br)c1NCC(=O)[O-]	ZINC000005928873	210560832	/nfs/dbraw/zinc/56/08/32/210560832.db2.gz	LPPRZNYKXQMPHJ-UHFFFAOYSA-N	-1	0	337.011	3.271	50	0		EGAARM
O=C([O-])c1ccc(CNC(=O)CSC23CC4CC(CC(C4)C2)C3)o1	ZINC000218248003	304242167	/nfs/dbraw/zinc/24/21/67/304242167.db2.gz	JOXNTXYHQXVVAW-UHFFFAOYSA-N	-1	0	349.452	3.296	50	0		EGAARM
O=C([O-])C[C@@H](NCc1ccco1)C(=O)Nc1cccc2ccccc21	ZINC000004978203	210346172	/nfs/dbraw/zinc/34/61/72/210346172.db2.gz	DUMYYKDOBNNQNI-QGZVFWFLSA-N	-1	0	338.363	3.004	50	0		EGAARM
COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ncccc1C	ZINC000004970562	210343281	/nfs/dbraw/zinc/34/32/81/210343281.db2.gz	QTQHSRCXKRSCEI-UHFFFAOYSA-N	-1	0	334.441	3.497	50	0		EGAARM
CC(C)(C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1	ZINC000004941300	210332863	/nfs/dbraw/zinc/33/28/63/210332863.db2.gz	KTXVMYALFUFGJC-UHFFFAOYSA-N	-1	0	338.454	3.077	50	0		EGAARM
Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000004826091	210288646	/nfs/dbraw/zinc/28/86/46/210288646.db2.gz	CNWBDKGBYFLPJS-SNVBAGLBSA-N	-1	0	349.770	3.458	50	0		EGAARM
COc1cc(C(=O)[O-])cc(C(=O)N2CC[C@H]2c2ccc(F)cc2)c1	ZINC000426684416	257958437	/nfs/dbraw/zinc/95/84/37/257958437.db2.gz	LCXICPJAMNJDJI-INIZCTEOSA-N	-1	0	329.327	3.120	50	0		EGAARM
O=C([O-])c1ccn(COc2ccc(Cl)cc2Br)n1	ZINC000002537576	258049870	/nfs/dbraw/zinc/04/98/70/258049870.db2.gz	LHBMBVYYAHECMG-UHFFFAOYSA-N	-1	0	331.553	3.034	50	0		EGAARM
CC[C@@H](C(=O)Nc1ccc(OC(C)=O)cc1C(=O)[O-])c1ccccc1	ZINC000004841860	286746248	/nfs/dbraw/zinc/74/62/48/286746248.db2.gz	BUWHXZJFLBJMFP-OAHLLOKOSA-N	-1	0	341.363	3.442	50	0		EGAARM
CC(C)Cn1c(=O)c(C(=O)Nc2nccs2)c([O-])c2ccccc21	ZINC000100602550	279251681	/nfs/dbraw/zinc/25/16/81/279251681.db2.gz	HMNVNBKETAVPSA-UHFFFAOYSA-N	-1	0	343.408	3.072	50	0	biogenic,in-vitro	EGAARM
COc1ccc(-c2cc(C(=O)[O-])n3nc4nc(C)cc(C)c4c3n2)cc1	ZINC000013645809	295046200	/nfs/dbraw/zinc/04/62/00/295046200.db2.gz	NUUVPHSINALPCU-UHFFFAOYSA-N	-1	0	348.362	3.268	50	0		EGAARM
COc1ccc2nc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])sc2c1	ZINC000001002534	295280303	/nfs/dbraw/zinc/28/03/03/295280303.db2.gz	LTAPUMJJHUYFKI-MNOVXSKESA-N	-1	0	334.397	3.134	50	0		EGAARM
C[C@]1(C2CCCCC2)Cc2ccccc2-c2nc3[n-]ncn3c(=O)c21	ZINC000102083816	300791282	/nfs/dbraw/zinc/79/12/82/300791282.db2.gz	XZYSRSSYTKYQTK-HXUWFJFHSA-N	-1	0	334.423	3.479	50	0		EGAARM
Cc1c2ccccc2[nH]c1[C@@H]1CC(=O)Nc2cc(O)c(C(=O)[O-])cc21	ZINC000067803115	301018113	/nfs/dbraw/zinc/01/81/13/301018113.db2.gz	BDNMEJPQFWLOEO-GFCCVEGCSA-N	-1	0	336.347	3.354	50	0		EGAARM
Cc1cc(-c2ccc([C@@H](C)N3CCOCC3)cc2)nc(C)c1C(=O)[O-]	ZINC000218031443	301034417	/nfs/dbraw/zinc/03/44/17/301034417.db2.gz	BHAIQHPPJVUSMR-OAHLLOKOSA-N	-1	0	340.423	3.457	50	0		EGAARM
Cc1cc2nc(CCC(=O)N[C@@H](CC(=O)[O-])CC(C)C)[nH]c2cc1C	ZINC000223797652	301461906	/nfs/dbraw/zinc/46/19/06/301461906.db2.gz	QJRIFMHCJWHIBF-CQSZACIVSA-N	-1	0	345.443	3.118	50	0		EGAARM
Cc1ccccc1CC1(NC(=O)[C@@H](C(=O)[O-])C2CCCCC2)CC1	ZINC000244724476	455275799	/nfs/dbraw/zinc/27/57/99/455275799.db2.gz	MUWJWBLYZHNIHV-KRWDZBQOSA-N	-1	0	329.440	3.467	50	0		EGAARM
COc1ccc(S(=O)(=O)[N-]c2nc3ccc(C)cc3s2)cc1	ZINC000000030983	452491608	/nfs/dbraw/zinc/49/16/08/452491608.db2.gz	RXDMMKXDJXYXHE-UHFFFAOYSA-N	-1	0	334.422	3.414	50	0		EGAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000000101784	452508450	/nfs/dbraw/zinc/50/84/50/452508450.db2.gz	WZNBBKMKBQJNKL-UHFFFAOYSA-N	-1	0	342.214	3.259	50	0		EGAARM
COC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1	ZINC000000168062	452525358	/nfs/dbraw/zinc/52/53/58/452525358.db2.gz	CRDKWTKQTKMXMS-UHFFFAOYSA-N	-1	0	341.388	3.427	50	0		EGAARM
CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000000200531	452533324	/nfs/dbraw/zinc/53/33/24/452533324.db2.gz	YGWAAKDAFIYGSI-NSHDSACASA-N	-1	0	338.454	3.077	50	0		EGAARM
COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl	ZINC000000363230	452571842	/nfs/dbraw/zinc/57/18/42/452571842.db2.gz	DCDLAAQYNYPDEX-UHFFFAOYSA-N	-1	0	341.816	3.466	50	0		EGAARM
CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)ccc21	ZINC000000428696	452589395	/nfs/dbraw/zinc/58/93/95/452589395.db2.gz	XESJSVKSJFRHPE-UHFFFAOYSA-N	-1	0	344.436	3.013	50	0		EGAARM
CCOc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Cl)c1O[C@@H](C)CC	ZINC000000479022	452604127	/nfs/dbraw/zinc/60/41/27/452604127.db2.gz	SCMRDWVYCRFFJY-SZUMLMDFSA-N	-1	0	338.791	3.096	50	0		EGAARM
CCOc1cc(S(=O)(=O)[N-]c2cc(C)ccn2)ccc1Cl	ZINC000000529017	452614485	/nfs/dbraw/zinc/61/44/85/452614485.db2.gz	QWXCEKLHEBKTCX-UHFFFAOYSA-N	-1	0	326.805	3.243	50	0		EGAARM
COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc2ccccc21	ZINC000000572692	452626479	/nfs/dbraw/zinc/62/64/79/452626479.db2.gz	NDVCGHVPXSXVOG-UHFFFAOYSA-N	-1	0	341.388	3.427	50	0		EGAARM
Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2n1	ZINC000000612558	452631965	/nfs/dbraw/zinc/63/19/65/452631965.db2.gz	IKKDCAUFARXLAG-UHFFFAOYSA-N	-1	0	342.376	3.073	50	0		EGAARM
COc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)cc(OC)c1	ZINC000000811979	452636831	/nfs/dbraw/zinc/63/68/31/452636831.db2.gz	ZGJYTJPVTUICEX-UHFFFAOYSA-N	-1	0	333.818	3.220	50	0		EGAARM
O=C(Nc1cccc(F)c1)c1c([O-])c2cccc3c2n(c1=O)CCC3	ZINC000001302760	452653270	/nfs/dbraw/zinc/65/32/70/452653270.db2.gz	KYPQTDYRWNOWSL-UHFFFAOYSA-N	-1	0	338.338	3.045	50	0		EGAARM
CSCC[C@H](NC(=O)Nc1cccc(Cl)c1Cl)C(=O)[O-]	ZINC000002428358	452696919	/nfs/dbraw/zinc/69/69/19/452696919.db2.gz	AJOZVQKUYFKHSN-VIFPVBQESA-N	-1	0	337.228	3.321	50	0		EGAARM
Cc1oc(C(C)(C)C)cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000002578343	452706660	/nfs/dbraw/zinc/70/66/60/452706660.db2.gz	MCSWOHOPDTWQCL-HNNXBMFYSA-N	-1	0	329.396	3.311	50	0		EGAARM
O=C([O-])c1nccnc1C(=O)Nc1ccc(Oc2ccccc2)cc1	ZINC000003265225	452756886	/nfs/dbraw/zinc/75/68/86/452756886.db2.gz	PZABGFFZVSIROL-UHFFFAOYSA-N	-1	0	335.319	3.219	50	0		EGAARM
CCOc1ccccc1Nc1nnc(Cc2ccc(F)cc2)c(=O)[n-]1	ZINC000005154394	452839625	/nfs/dbraw/zinc/83/96/25/452839625.db2.gz	WCTNOLMPOZTWLI-UHFFFAOYSA-N	-1	0	340.358	3.037	50	0		EGAARM
CCOc1ccc(Nc2nnc(Cc3ccc(C)cc3)c(=O)[n-]2)cc1	ZINC000005154374	452840507	/nfs/dbraw/zinc/84/05/07/452840507.db2.gz	FVABIAHVIOMNGX-UHFFFAOYSA-N	-1	0	336.395	3.206	50	0		EGAARM
CC[C@@H](C)[C@H](NC(=O)c1cccc2c1-c1ccccc1C2=O)C(=O)[O-]	ZINC000005302540	452856162	/nfs/dbraw/zinc/85/61/62/452856162.db2.gz	KNERXKYUZIDBRX-DIFFPNOSSA-N	-1	0	337.375	3.127	50	0		EGAARM
Cc1ccc(-n2ncc3c4nnc(-c5ccccc5O)n4cnc32)cc1	ZINC000005322049	452859342	/nfs/dbraw/zinc/85/93/42/452859342.db2.gz	IDAWQQTXORAMKM-UHFFFAOYSA-N	-1	0	342.362	3.144	50	0		EGAARM
COc1ccc([C@@H]2SCC(=O)N2c2ccc(C(=O)[O-])cc2)cc1	ZINC000005513955	452880724	/nfs/dbraw/zinc/88/07/24/452880724.db2.gz	WDBHEZJQSHYYSQ-INIZCTEOSA-N	-1	0	329.377	3.172	50	0		EGAARM
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1noc2ccccc21	ZINC000006800802	452989909	/nfs/dbraw/zinc/98/99/09/452989909.db2.gz	VPYHWBAHLRUXPH-UHFFFAOYSA-N	-1	0	338.772	3.291	50	0		EGAARM
COc1ccc([C@H]2[C@H](C(=O)[O-])CCC(=O)N2Cc2ccccc2)cc1	ZINC000008729925	453228998	/nfs/dbraw/zinc/22/89/98/453228998.db2.gz	YIEUICZEWBOXGY-MJGOQNOKSA-N	-1	0	339.391	3.260	50	0		EGAARM
CC[C@H](C)[C@@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)[O-]	ZINC000009164625	453246988	/nfs/dbraw/zinc/24/69/88/453246988.db2.gz	NPVHAHSXDFHQIN-GLQYFDAESA-N	-1	0	347.415	3.328	50	0		EGAARM
CC(C)c1ccc(S(=O)(=O)Nc2ccsc2C(=O)[O-])cc1	ZINC000035306395	453923371	/nfs/dbraw/zinc/92/33/71/453923371.db2.gz	JYRORHOEQDBFGG-UHFFFAOYSA-N	-1	0	325.411	3.371	50	0		EGAARM
CCOc1ccc(-c2ccnc(N[C@H]3CCSC3)n2)cc1C(=O)[O-]	ZINC000077516225	454116401	/nfs/dbraw/zinc/11/64/01/454116401.db2.gz	JWRRMDBZCNLPGL-LBPRGKRZSA-N	-1	0	345.424	3.158	50	0		EGAARM
Cc1ccccc1CNC(=O)c1c([O-])c2cccc3c2n(c1=O)[C@H](C)C3	ZINC000170624694	454945030	/nfs/dbraw/zinc/94/50/30/454945030.db2.gz	CXUJUPHWLVDZAA-CYBMUJFWSA-N	-1	0	348.402	3.063	50	0		EGAARM
Cc1cccc(C[C@@H](C(=O)Nc2cc(C)cc(C)c2)c2nnn[n-]2)c1	ZINC000004169537	1424424421	/nfs/dbraw/zinc/42/44/21/1424424421.db2.gz	CXBGZQDOYOSJJU-QGZVFWFLSA-N	-1	0	335.411	3.090	50	0		EGAARM
Cc1cc(Br)ccc1-c1ccc(CNc2nnn[n-]2)o1	ZINC000004999779	1441536609	/nfs/dbraw/zinc/53/66/09/1441536609.db2.gz	ZCIXAISZWYAXNY-UHFFFAOYSA-N	-1	0	334.177	3.143	50	0		EGAARM
CCC[C@@H](CC(=O)[O-])NC(=O)CCSCc1ccc(F)cc1	ZINC000055282926	214301199	/nfs/dbraw/zinc/30/11/99/214301199.db2.gz	WAOHZAGTKMTHMP-AWEZNQCLSA-N	-1	0	327.421	3.209	50	0		EGAARM
C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)c1ccccc1NCC(=O)[O-])C2	ZINC000055383038	214314433	/nfs/dbraw/zinc/31/44/33/214314433.db2.gz	YDTOWAFGNZIYTC-BFUOFWGJSA-N	-1	0	330.428	3.224	50	0		EGAARM
O=C([O-])CCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1	ZINC000004668789	210241795	/nfs/dbraw/zinc/24/17/95/210241795.db2.gz	ZZBNJMPWLOZQRP-NSHDSACASA-N	-1	0	334.422	3.352	50	0		EGAARM
CC[C@@H](C)[C@H](NC(=O)Nc1cccc(Br)c1)C(=O)[O-]	ZINC000004657366	210240261	/nfs/dbraw/zinc/24/02/61/210240261.db2.gz	WIMLANPAAGLPOG-KCJUWKMLSA-N	-1	0	329.194	3.070	50	0		EGAARM
CCn1c(=O)c(C(=O)Nc2ccccc2F)c([O-])c2ccccc21	ZINC000100498449	219100611	/nfs/dbraw/zinc/10/06/11/219100611.db2.gz	PSDKLPHPFVFIKY-UHFFFAOYSA-N	-1	0	326.327	3.118	50	0		EGAARM
Cc1cccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)c1C	ZINC000100621277	219102903	/nfs/dbraw/zinc/10/29/03/219102903.db2.gz	ZZAJAGSEYGWYNY-UHFFFAOYSA-N	-1	0	334.375	3.132	50	0		EGAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4C)c=3c2=O)cc1	ZINC000101167691	219117719	/nfs/dbraw/zinc/11/77/19/219117719.db2.gz	FWTWOUCONSBOKO-ROUUACIJSA-N	-1	0	348.406	3.051	50	0		EGAARM
O=C([O-])c1ccc(CN2C(=O)S[C@H](Nc3ccccc3)C2=O)cc1	ZINC000004271887	210156736	/nfs/dbraw/zinc/15/67/36/210156736.db2.gz	JSIBCNOPLNWRGP-AWEZNQCLSA-N	-1	0	342.376	3.018	50	0		EGAARM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000004006572	210099070	/nfs/dbraw/zinc/09/90/70/210099070.db2.gz	YSDNWNOGHQYWPK-BCWBERDBSA-N	-1	0	326.179	3.455	50	0		EGAARM
Cn1c(SCc2ccc(C(=O)[O-])cc2)nnc1-c1ccccc1	ZINC000003670805	210073016	/nfs/dbraw/zinc/07/30/16/210073016.db2.gz	GOQOFHFKBCBPRN-UHFFFAOYSA-N	-1	0	325.393	3.473	50	0		EGAARM
O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000002562127	209868602	/nfs/dbraw/zinc/86/86/02/209868602.db2.gz	JTIRSISIFPGBKY-IUCAKERBSA-N	-1	0	341.207	3.383	50	0		EGAARM
O=C([O-])c1cccc(N[C@H]2SC(=O)N(c3ccccc3)C2=O)c1	ZINC000001317934	209725220	/nfs/dbraw/zinc/72/52/20/209725220.db2.gz	ZBIOTCIFPWNUEY-ZDUSSCGKSA-N	-1	0	328.349	3.023	50	0		EGAARM
CCN(CC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000070915532	215721330	/nfs/dbraw/zinc/72/13/30/215721330.db2.gz	JMRZSLGQRNZKJI-UHFFFAOYSA-N	-1	0	325.364	3.342	50	0		EGAARM
O=C([O-])C[C@@H]1CCCCN1C(=O)Cc1ccccc1C(F)(F)F	ZINC000219972241	304074907	/nfs/dbraw/zinc/07/49/07/304074907.db2.gz	DJVRSQFPGGZGEI-LBPRGKRZSA-N	-1	0	329.318	3.104	50	0		EGAARM
C[C@@H](Cc1cccnc1)n1ccnc1-c1ccccc1OCC(=O)[O-]	ZINC000071416387	215772256	/nfs/dbraw/zinc/77/22/56/215772256.db2.gz	NQSIRPDTDSIZKJ-AWEZNQCLSA-N	-1	0	337.379	3.212	50	0		EGAARM
O=C([O-])[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)C2CCC2)C1	ZINC000071422275	215772896	/nfs/dbraw/zinc/77/28/96/215772896.db2.gz	ROIQVJZEAIELLU-GOSISDBHSA-N	-1	0	335.831	3.376	50	0		EGAARM
O=C([O-])CCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1	ZINC000000312892	209530855	/nfs/dbraw/zinc/53/08/55/209530855.db2.gz	WBLDTEVDXXXCLG-UHFFFAOYSA-N	-1	0	331.755	3.374	50	0		EGAARM
CC(C)(C)c1ccc(C(=O)C[C@@H](NCc2ccco2)C(=O)[O-])cc1	ZINC000000044859	209387793	/nfs/dbraw/zinc/38/77/93/209387793.db2.gz	HPSVCXIMDFDJBB-MRXNPFEDSA-N	-1	0	329.396	3.393	50	0		EGAARM
Cc1cccc(OC2(C(=O)[O-])CCN(C(=O)c3ccsc3)CC2)c1	ZINC000072430212	216222647	/nfs/dbraw/zinc/22/26/47/216222647.db2.gz	GIUVBYHHZRFQOL-UHFFFAOYSA-N	-1	0	345.420	3.195	50	0		EGAARM
CC(C)(C)OC(=O)N1CCC[C@@H](c2cccc(CCC(=O)[O-])n2)C1	ZINC000074941251	216538781	/nfs/dbraw/zinc/53/87/81/216538781.db2.gz	MNFMJMZXQVKADH-CYBMUJFWSA-N	-1	0	334.416	3.213	50	0		EGAARM
CCc1nc2sc([C@H](c3cccc(F)c3)N3CCCC3)c([O-])n2n1	ZINC000022852954	212329212	/nfs/dbraw/zinc/32/92/12/212329212.db2.gz	ZLPRRLATQVBCKM-AWEZNQCLSA-N	-1	0	346.431	3.383	50	0		EGAARM
C[C@H](CCc1ccccc1)NC(=O)[C@@H]1C2CCC(CC2)[C@H]1C(=O)[O-]	ZINC000245256359	243103636	/nfs/dbraw/zinc/10/36/36/243103636.db2.gz	PQDZNBIUIOMHAV-HDXKUCRCSA-N	-1	0	329.440	3.261	50	0		EGAARM
O=C([O-])CCCCCNC(=O)Cc1csc(-c2ccccc2)n1	ZINC000020739453	212167816	/nfs/dbraw/zinc/16/78/16/212167816.db2.gz	XJGYKWBRYAZYGL-UHFFFAOYSA-N	-1	0	332.425	3.114	50	0		EGAARM
COCc1nn2c(nc(C)c(CCC(=O)[O-])c2C)c1-c1ccccc1	ZINC000253398966	243903558	/nfs/dbraw/zinc/90/35/58/243903558.db2.gz	CLHOPAVSECBZAX-UHFFFAOYSA-N	-1	0	339.395	3.177	50	0		EGAARM
O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Br)cc1	ZINC000000233231	304181430	/nfs/dbraw/zinc/18/14/30/304181430.db2.gz	DHUJMLNQJBLMFX-NEPJUHHUSA-N	-1	0	326.190	3.279	50	0		EGAARM
CCN(CC)C(=O)c1cccc(NC(=O)c2ccccc2C(=O)[O-])c1	ZINC000012138605	211303368	/nfs/dbraw/zinc/30/33/68/211303368.db2.gz	WYROCURWOBTUSS-UHFFFAOYSA-N	-1	0	340.379	3.119	50	0		EGAARM
CCOc1ccc(-c2cc(C(=O)[O-])c3nc(C)[nH]c3n2)cc1OC	ZINC000011694739	211236448	/nfs/dbraw/zinc/23/64/48/211236448.db2.gz	PYAUTNDQWZZQCT-UHFFFAOYSA-N	-1	0	327.340	3.039	50	0		EGAARM
COc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(SC)c1	ZINC000010302024	211161732	/nfs/dbraw/zinc/16/17/32/211161732.db2.gz	DDNDFPFRMQSHKB-UHFFFAOYSA-N	-1	0	327.402	3.357	50	0		EGAARM
Cc1ccc(S(=O)(=O)[N-]c2nc3cc(C)c(C)cc3s2)cc1	ZINC000008995232	211029978	/nfs/dbraw/zinc/02/99/78/211029978.db2.gz	NIGOFRLINXCTJW-UHFFFAOYSA-N	-1	0	332.450	3.444	50	0		EGAARM
O=C([O-])c1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1	ZINC000014009880	304231904	/nfs/dbraw/zinc/23/19/04/304231904.db2.gz	ZHJIVSXSLLTLDM-RIYZIHGNSA-N	-1	0	342.738	3.136	50	0		EGAARM
O=C([O-])c1ccc2c(=O)n(-c3cccc(C(F)(F)F)c3)cnc2c1	ZINC000035686493	304251464	/nfs/dbraw/zinc/25/14/64/304251464.db2.gz	HINQTJZWSHCJHR-UHFFFAOYSA-N	-1	0	334.253	3.103	50	0		EGAARM
O=C([O-])C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCO1	ZINC000000036410	208554049	/nfs/dbraw/zinc/55/40/49/208554049.db2.gz	DEVKFZDTYBKBAG-BXKDBHETSA-N	-1	0	332.183	3.202	50	0		EGAARM
COc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(C)cc1	ZINC000004858162	210303365	/nfs/dbraw/zinc/30/33/65/210303365.db2.gz	TZNYVBBFMKTSMB-UHFFFAOYSA-N	-1	0	325.817	3.136	50	0		EGAARM
Cc1c(Br)cccc1NC(=O)c1ccc(C(=O)[O-])nc1	ZINC000220664349	153424935	/nfs/dbraw/zinc/42/49/35/153424935.db2.gz	CWNUWYNKSMEGJI-UHFFFAOYSA-N	-1	0	335.157	3.103	50	0		EGAARM
O=C([O-])c1cc(Br)ccc1NC(=O)Cc1ccccc1	ZINC000005602835	452887884	/nfs/dbraw/zinc/88/78/84/452887884.db2.gz	VXZIMMVRDGSCQT-UHFFFAOYSA-N	-1	0	334.169	3.329	50	0		EGAARM
CCc1nc2c3ccccc3oc2c(N2CCCC[C@@H]2C(=O)[O-])n1	ZINC000000537047	288631730	/nfs/dbraw/zinc/63/17/30/288631730.db2.gz	QXJKZALMEGKOLG-GFCCVEGCSA-N	-1	0	325.368	3.382	50	0		EGAARM
C[C@@]12[C@H](C(=O)[O-])CC[C@@H]1[C@H]1CC[C@H]3C[C@H](O)CC[C@]3(C)[C@@H]1C[C@H]2O	ZINC000257356684	297943422	/nfs/dbraw/zinc/94/34/22/297943422.db2.gz	JQJFMOYALOFIJZ-ZKNNHURWSA-N	-1	0	336.472	3.062	50	0		EGAARM
C[C@H](Sc1nnc(-c2ccccc2)n1-c1ccccc1)C(=O)[O-]	ZINC000000080093	452500374	/nfs/dbraw/zinc/50/03/74/452500374.db2.gz	YKAQAXFMGQXMMV-LBPRGKRZSA-N	-1	0	325.393	3.500	50	0		EGAARM
COC(=O)c1c(-c2ccccc2)csc1NC(=O)CCC(=O)[O-]	ZINC000000205156	452534409	/nfs/dbraw/zinc/53/44/09/452534409.db2.gz	FBOSUHSWPVSFMU-UHFFFAOYSA-N	-1	0	333.365	3.005	50	0		EGAARM
CC(C)(C)Cc1nnc([N-]S(=O)(=O)c2ccc(F)cc2)s1	ZINC000000268454	452549815	/nfs/dbraw/zinc/54/98/15/452549815.db2.gz	RPODJOFYGYNBRW-UHFFFAOYSA-N	-1	0	329.422	3.067	50	0		EGAARM
COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1	ZINC000000270130	452552551	/nfs/dbraw/zinc/55/25/51/452552551.db2.gz	YLJPJGHSZOMHFP-UHFFFAOYSA-N	-1	0	347.436	3.473	50	0		EGAARM
COc1ccc(OC)c(NC(=O)[C@@H]2CC[C@](C)(C(=O)[O-])C2(C)C)c1	ZINC000000339838	452565950	/nfs/dbraw/zinc/56/59/50/452565950.db2.gz	FDXWBDFSWCCKEG-KPZWWZAWSA-N	-1	0	335.400	3.169	50	0		EGAARM
O=C([O-])c1ccc(COc2ccc(CO)cc2Br)cc1	ZINC000000470995	452602256	/nfs/dbraw/zinc/60/22/56/452602256.db2.gz	ZEPXIMKNCGEPSQ-UHFFFAOYSA-N	-1	0	337.169	3.219	50	0		EGAARM
C[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1ccccc1-c1ccccc1	ZINC000000477048	452604198	/nfs/dbraw/zinc/60/41/98/452604198.db2.gz	GQGZYKYUMLHPDY-NSHDSACASA-N	-1	0	336.313	3.359	50	0		EGAARM
O=C([O-])c1cccc(CN2C(=O)S[C@H](Nc3ccccc3)C2=O)c1	ZINC000001300909	452652997	/nfs/dbraw/zinc/65/29/97/452652997.db2.gz	GZKIAFLMIQKHCK-AWEZNQCLSA-N	-1	0	342.376	3.018	50	0		EGAARM
Cc1ccc(N2C(=O)S[C@@H](Nc3ccccc3C(=O)[O-])C2=O)cc1	ZINC000001318012	452653664	/nfs/dbraw/zinc/65/36/64/452653664.db2.gz	IUQWQGMDGJJEPA-CQSZACIVSA-N	-1	0	342.376	3.331	50	0		EGAARM
O=C([O-])c1ccc(NC(=O)CSc2nncc3ccccc32)cc1	ZINC000002237071	452690346	/nfs/dbraw/zinc/69/03/46/452690346.db2.gz	HXIABPFSFLXKMJ-UHFFFAOYSA-N	-1	0	339.376	3.059	50	0		EGAARM
CC(C)[C@H](NC(=O)NCC(c1ccccc1)c1ccccc1)C(=O)[O-]	ZINC000002400377	452695232	/nfs/dbraw/zinc/69/52/32/452695232.db2.gz	DTBPCOQKKSTEKS-SFHVURJKSA-N	-1	0	340.423	3.227	50	0		EGAARM
Cc1nn(C[C@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2)c(C)c1Cl	ZINC000002809711	452727431	/nfs/dbraw/zinc/72/74/31/452727431.db2.gz	IDWVYSIHDAYLIQ-VIFPVBQESA-N	-1	0	335.791	3.126	50	0		EGAARM
CCOC(=O)NC([N-]c1nccs1)(C(F)(F)F)C(F)(F)F	ZINC000002937628	452736057	/nfs/dbraw/zinc/73/60/57/452736057.db2.gz	GNRMFIZQARGMDG-UHFFFAOYSA-N	-1	0	337.245	3.122	50	0		EGAARM
CCOc1ccc(Cc2nnc(Nc3ccc(F)cc3)[n-]c2=O)cc1	ZINC000005154411	452839493	/nfs/dbraw/zinc/83/94/93/452839493.db2.gz	ICAHWLIDVGDEAH-UHFFFAOYSA-N	-1	0	340.358	3.037	50	0		EGAARM
CCc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1	ZINC000005329465	452858421	/nfs/dbraw/zinc/85/84/21/452858421.db2.gz	OLCRQUITONAODM-UHFFFAOYSA-N	-1	0	344.436	3.177	50	0		EGAARM
COc1cc(OC)c([N-]S(=O)(=O)c2cccs2)cc1Cl	ZINC000007381451	453067979	/nfs/dbraw/zinc/06/79/79/453067979.db2.gz	LORSBQTWUWMPAT-UHFFFAOYSA-N	-1	0	333.818	3.220	50	0		EGAARM
Cc1cc(C)nc([N-]c2n[nH]c(-c3cc(-c4ccccc4)[nH]n3)n2)n1	ZINC000008743791	453230181	/nfs/dbraw/zinc/23/01/81/453230181.db2.gz	IKTMEKNRPFEAHS-UHFFFAOYSA-N	-1	0	332.371	3.012	50	0		EGAARM
O=C([O-])c1nc(SCc2ccccc2)ncc1Br	ZINC000028403358	453823392	/nfs/dbraw/zinc/82/33/92/453823392.db2.gz	JODADVAEKGWGHZ-UHFFFAOYSA-N	-1	0	325.187	3.230	50	0		EGAARM
Cc1ccc([C@@H](c2sc3ncnn3c2[O-])N2CCCCCC2)o1	ZINC000041637613	453975130	/nfs/dbraw/zinc/97/51/30/453975130.db2.gz	IJBSXJOPDLYMHS-ZDUSSCGKSA-N	-1	0	332.429	3.363	50	0		EGAARM
Cc1ncnc(N2CCC[C@@](Cc3ccccc3F)(C(=O)[O-])C2)c1C	ZINC000071524718	454208653	/nfs/dbraw/zinc/20/86/53/454208653.db2.gz	SQLQRKGHTSTRFF-IBGZPJMESA-N	-1	0	343.402	3.146	50	0		EGAARM
CCc1cc(C(=O)N2CCC[C@@](CCCOC)(C(=O)[O-])C2)cs1	ZINC000091351007	454430094	/nfs/dbraw/zinc/43/00/94/454430094.db2.gz	IZPBGUCLPNIJOD-KRWDZBQOSA-N	-1	0	339.457	3.044	50	0		EGAARM
O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccsc1	ZINC000225537503	456092651	/nfs/dbraw/zinc/09/26/51/456092651.db2.gz	JFKLLZMZIJTLNQ-HNNXBMFYSA-N	-1	0	328.393	3.291	50	0		EGAARM
Cc1ccc2ncccc2c1CNC(=O)[C@@H](C(=O)[O-])C1CCCCC1	ZINC000299764299	456781178	/nfs/dbraw/zinc/78/11/78/456781178.db2.gz	RJEDRILSUROKQB-SFHVURJKSA-N	-1	0	340.423	3.441	50	0		EGAARM
CC(C)N(C(=O)c1ccccc1-c1cnn([C@H](C)C(=O)[O-])c1)C(C)C	ZINC000534640176	459340912	/nfs/dbraw/zinc/34/09/12/459340912.db2.gz	QFFBONRYLNNYRE-CQSZACIVSA-N	-1	0	343.427	3.455	50	0		EGAARM
COc1ccc(Cl)cc1C(=O)N[C@H](C(=O)[O-])c1cccc(C)c1	ZINC000218647748	536547098	/nfs/dbraw/zinc/54/70/98/536547098.db2.gz	OBTZJJWTQLOZAY-HNNXBMFYSA-N	-1	0	333.771	3.213	50	0		EGAARM
COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)[O-])c2)cc1OC	ZINC000226322583	536777543	/nfs/dbraw/zinc/77/75/43/536777543.db2.gz	XBVYMJZPJBFXSJ-RMKNXTFCSA-N	-1	0	327.336	3.054	50	0		EGAARM
C[C@@H](C(=O)Nc1nn[n-]n1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12	ZINC000095474284	1423692846	/nfs/dbraw/zinc/69/28/46/1423692846.db2.gz	UETHLTAJHCMPNF-MRVPVSSYSA-N	-1	0	340.774	3.230	50	0		EGAARM
Cc1cccc(C[C@@H](C(=O)Nc2ccc(C)c(C)c2)c2nnn[n-]2)c1	ZINC000006556969	1442329914	/nfs/dbraw/zinc/32/99/14/1442329914.db2.gz	XUHOCWDJZCGHOB-QGZVFWFLSA-N	-1	0	335.411	3.090	50	0		EGAARM
O=C(CCc1cc(=O)[n-]o1)N1CCCC[C@@H]1CCc1ccc(O)cc1	ZINC000055153458	214280831	/nfs/dbraw/zinc/28/08/31/214280831.db2.gz	XRVLUGZCOIEJBX-OAHLLOKOSA-N	-1	0	344.411	3.032	50	0		EGAARM
COc1ccc(-c2cc3ccc(O[C@@H](C)C(=O)[O-])cc3oc2=O)cc1	ZINC000004538814	210216951	/nfs/dbraw/zinc/21/69/51/210216951.db2.gz	BAYDTBZMJLIPKO-NSHDSACASA-N	-1	0	340.331	3.321	50	0		EGAARM
CCn1nc(C)c2[n-]c(=S)n(Cc3ccccc3Cl)c(=O)c21	ZINC000101151742	219117952	/nfs/dbraw/zinc/11/79/52/219117952.db2.gz	WXPCVHIKZYSKIR-UHFFFAOYSA-N	-1	0	334.832	3.286	50	0		EGAARM
O=C([O-])CSc1nnc(C2CC2)n1-c1ccccc1C(F)(F)F	ZINC000065394389	214886171	/nfs/dbraw/zinc/88/61/71/214886171.db2.gz	OMVCITJDWBWQJC-UHFFFAOYSA-N	-1	0	343.330	3.340	50	0		EGAARM
CCCCCC[C@@H](O)C[C@@H](O)[C@@H](O)CCCCCCCC(=O)[O-]	ZINC000004026463	210103171	/nfs/dbraw/zinc/10/31/71/210103171.db2.gz	DJKUVMZEGIWUTP-IXDOHACOSA-N	-1	0	332.481	3.245	50	0	biogenic	EGAARM
O=C([O-])CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1	ZINC000003336123	210011183	/nfs/dbraw/zinc/01/11/83/210011183.db2.gz	XPUIWOLBUFCGNH-UHFFFAOYSA-N	-1	0	347.346	3.389	50	0		EGAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl	ZINC000003109867	209965208	/nfs/dbraw/zinc/96/52/08/209965208.db2.gz	PIHNVMQBEJPYDL-INIZCTEOSA-N	-1	0	342.782	3.247	50	0		EGAARM
CC(C)(C(N)=O)c1ccc(-n2cc(C(=O)[O-])c(-c3ccccc3)n2)cc1	ZINC000067772527	215208936	/nfs/dbraw/zinc/20/89/36/215208936.db2.gz	QXZOTZXDFJHJAA-UHFFFAOYSA-N	-1	0	349.390	3.000	50	0		EGAARM
CCc1ccc2oc(-c3ccco3)c(O[C@@H](C)C(=O)[O-])c(=O)c2c1	ZINC000001987842	209808989	/nfs/dbraw/zinc/80/89/89/209808989.db2.gz	BEQLYQIMYYXGJI-JTQLQIEISA-N	-1	0	328.320	3.467	50	0		EGAARM
O=C([O-])CCCCCNC(=O)CCn1ccc2c1cccc2Cl	ZINC000040309884	213291315	/nfs/dbraw/zinc/29/13/15/213291315.db2.gz	XLJCVXBZLZTUKC-UHFFFAOYSA-N	-1	0	336.819	3.446	50	0	biogenic	EGAARM
O=C([O-])c1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2cccnc2)cc1	ZINC000040286275	213288268	/nfs/dbraw/zinc/28/82/68/213288268.db2.gz	SSEOUKRXAZWKKR-AWEZNQCLSA-N	-1	0	334.335	3.089	50	0		EGAARM
O=C([O-])[C@@H]1CS[C@H](c2ccc(COc3ccc(Cl)cc3)o2)N1	ZINC000036612982	213101726	/nfs/dbraw/zinc/10/17/26/213101726.db2.gz	WGEPJEMVSQMNEA-GXTWGEPZSA-N	-1	0	339.800	3.300	50	0		EGAARM
O=C([O-])C1C2CC3(Br)CC1CC(Br)(C2)C3	ZINC000034414147	212978377	/nfs/dbraw/zinc/97/83/77/212978377.db2.gz	MCUVGCGOALEPKR-UHFFFAOYSA-N	-1	0	338.039	3.178	50	0		EGAARM
CC(C)Oc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2cccs2)cc1	ZINC000000104996	209422540	/nfs/dbraw/zinc/42/25/40/209422540.db2.gz	BWJWWHYPCMZQSF-INIZCTEOSA-N	-1	0	347.436	3.410	50	0		EGAARM
Cc1ccc(OC2(C(=O)[O-])CCN(C(=O)c3cccs3)CC2)cc1	ZINC000072462955	216245416	/nfs/dbraw/zinc/24/54/16/216245416.db2.gz	BSETXNWFJPXJDJ-UHFFFAOYSA-N	-1	0	345.420	3.195	50	0		EGAARM
CCc1nc2sc([C@@H](c3ccccc3F)N3CCCC3)c([O-])n2n1	ZINC000022852952	212329372	/nfs/dbraw/zinc/32/93/72/212329372.db2.gz	FFSCVHSNRRJNMF-CQSZACIVSA-N	-1	0	346.431	3.383	50	0		EGAARM
O=C([O-])c1ccc(NC(=S)NC(=O)c2ccccc2)cc1Cl	ZINC000020509084	212141881	/nfs/dbraw/zinc/14/18/81/212141881.db2.gz	FHXXKSBUZHRMST-UHFFFAOYSA-N	-1	0	334.784	3.165	50	0		EGAARM
C[C@@]12CC(=O)[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1CC[C@H]2C(=O)[O-]	ZINC000253591340	244030011	/nfs/dbraw/zinc/03/00/11/244030011.db2.gz	QAANIDZFOKGZHZ-YXJLAUJTSA-N	-1	0	334.456	3.270	50	0		EGAARM
O=C([O-])c1c(NC(=O)c2ccc3c(c2)OCO3)sc2c1CCCC2	ZINC000020333448	212120819	/nfs/dbraw/zinc/12/08/19/212120819.db2.gz	HPJZCDQCOHIIEU-UHFFFAOYSA-N	-1	0	345.376	3.306	50	0		EGAARM
CCCCNC(=O)c1cccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1	ZINC000012403806	211369142	/nfs/dbraw/zinc/36/91/42/211369142.db2.gz	LTUBGWQAQCANFE-JKSUJKDBSA-N	-1	0	346.427	3.046	50	0		EGAARM
COCc1ccc(C(=O)N2CCC[C@@](CC3CC3)(C(=O)[O-])C2)s1	ZINC000091965273	218096294	/nfs/dbraw/zinc/09/62/94/218096294.db2.gz	MCGXBFDQMKJEHG-KRWDZBQOSA-N	-1	0	337.441	3.002	50	0		EGAARM
CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000010684190	211185511	/nfs/dbraw/zinc/18/55/11/211185511.db2.gz	KQFVPGMKSMLNOS-MCIONIFRSA-N	-1	0	346.427	3.044	50	0		EGAARM
CCCC(=O)Nc1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1	ZINC000009229943	211057191	/nfs/dbraw/zinc/05/71/91/211057191.db2.gz	QJVNFJBNQAOOSH-GJZGRUSLSA-N	-1	0	332.400	3.255	50	0		EGAARM
CC(C)C(=O)Nc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1	ZINC000009231694	211056550	/nfs/dbraw/zinc/05/65/50/211056550.db2.gz	MMZYHOUDUFRKGY-CABCVRRESA-N	-1	0	332.400	3.111	50	0		EGAARM
Cc1nc(CC(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)cs1	ZINC000095392413	218323326	/nfs/dbraw/zinc/32/33/26/218323326.db2.gz	IZWUWTWEGNZVLW-OAHLLOKOSA-N	-1	0	344.436	3.098	50	0		EGAARM
CCc1ccccc1OC1CN(c2ccc(Cl)c(C(=O)[O-])n2)C1	ZINC000096162737	218638429	/nfs/dbraw/zinc/63/84/29/218638429.db2.gz	QKKPTJMLSVVEST-UHFFFAOYSA-N	-1	0	332.787	3.263	50	0		EGAARM
COc1cc2c(c3oc(=O)c(CCC(=O)[O-])c(C)c13)CCC(C)(C)O2	ZINC000006645444	210668356	/nfs/dbraw/zinc/66/83/56/210668356.db2.gz	QJTJZLXNETXUGL-UHFFFAOYSA-N	-1	0	346.379	3.231	50	0	biogenic	EGAARM
CCN(c1ccsc1C(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1	ZINC000096511547	218880869	/nfs/dbraw/zinc/88/08/69/218880869.db2.gz	SNDJYTQOGJSWBP-UHFFFAOYSA-N	-1	0	345.829	3.315	50	0		EGAARM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1C	ZINC000004970460	210343674	/nfs/dbraw/zinc/34/36/74/210343674.db2.gz	KXNXRSPRMWBECX-UHFFFAOYSA-N	-1	0	326.805	3.243	50	0		EGAARM
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000004826084	210289693	/nfs/dbraw/zinc/28/96/93/210289693.db2.gz	CNWBDKGBYFLPJS-JTQLQIEISA-N	-1	0	349.770	3.458	50	0		EGAARM
COc1cccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)[O-])cc3N2)c1	ZINC000004825188	210289417	/nfs/dbraw/zinc/28/94/17/210289417.db2.gz	LDNKVPOAPZQKIK-ZYHUDNBSSA-N	-1	0	341.289	3.250	50	0		EGAARM
O=C([O-])c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000003884637	304270951	/nfs/dbraw/zinc/27/09/51/304270951.db2.gz	XWGJXKXVKFOJBZ-UHFFFAOYSA-N	-1	0	339.269	3.421	50	0		EGAARM
CC(C)c1c(C(=O)[O-])cnn1-c1nccc(-c2ccccc2F)n1	ZINC000299790751	258096069	/nfs/dbraw/zinc/09/60/69/258096069.db2.gz	BQKORXZWKCCEIV-UHFFFAOYSA-N	-1	0	326.331	3.290	50	0		EGAARM
CSc1ccc(-c2ccc(C(=O)[O-])c(N3CCC(O)CC3)n2)cc1	ZINC000299792416	258097746	/nfs/dbraw/zinc/09/77/46/258097746.db2.gz	FFFDVNWUXYTEGS-UHFFFAOYSA-N	-1	0	344.436	3.130	50	0		EGAARM
O=C([O-])c1nsc2c1NC(=O)C[C@H]2c1ccc(C(F)(F)F)cc1	ZINC000066091694	304285568	/nfs/dbraw/zinc/28/55/68/304285568.db2.gz	ZTYWPVXBXGFRCV-QMMMGPOBSA-N	-1	0	342.298	3.334	50	0		EGAARM
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C(F)(F)F)C(=O)[O-]	ZINC000002386875	452694323	/nfs/dbraw/zinc/69/43/23/452694323.db2.gz	XKMOOODKNPYTEE-NSHDSACASA-N	-1	0	333.306	3.226	50	0		EGAARM
COc1cc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c(OC)cc1Cl	ZINC000000282804	295000574	/nfs/dbraw/zinc/00/05/74/295000574.db2.gz	MNMSQUUMWMQITB-UWVGGRQHSA-N	-1	0	341.791	3.187	50	0		EGAARM
COc1ccccc1[C@@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)[O-])c2N1	ZINC000004827400	295394490	/nfs/dbraw/zinc/39/44/90/295394490.db2.gz	NRJIGCFSMOJIPE-JQWIXIFHSA-N	-1	0	341.289	3.250	50	0		EGAARM
O=C(c1ccccc1)c1ccc2c(c1[O-])[C@@H](c1ccncc1)CC(=O)O2	ZINC000253397715	304564067	/nfs/dbraw/zinc/56/40/67/304564067.db2.gz	BOZCUXKGLAQXTP-MRXNPFEDSA-N	-1	0	345.354	3.459	50	0	biogenic	EGAARM
Cc1c2oc(=O)sc2c(Br)c([O-])c1Br	ZINC000000058921	301022398	/nfs/dbraw/zinc/02/23/98/301022398.db2.gz	UUKUAOFWZRKMLE-UHFFFAOYSA-N	-1	0	339.992	3.394	50	0		EGAARM
Cc1cc(Br)cc(C(=O)[O-])c1I	ZINC000067800120	301069812	/nfs/dbraw/zinc/06/98/12/301069812.db2.gz	KTXSGSFUMHDBCD-UHFFFAOYSA-N	-1	0	340.942	3.060	50	0		EGAARM
COc1cc([N-]S(=O)(=O)c2ccc(C)cc2)c(OC)cc1Cl	ZINC000000094639	452505557	/nfs/dbraw/zinc/50/55/57/452505557.db2.gz	FPNOAPIPFGTKSQ-UHFFFAOYSA-N	-1	0	341.816	3.466	50	0		EGAARM
O=C([O-])c1cc(Cl)cn(Cc2ccc(C(F)(F)F)cc2)c1=O	ZINC000000170487	452527544	/nfs/dbraw/zinc/52/75/44/452527544.db2.gz	JEXMKCVWLJCMRU-UHFFFAOYSA-N	-1	0	331.677	3.267	50	0		EGAARM
O=C([O-])/C=C/c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1	ZINC000000198272	452533430	/nfs/dbraw/zinc/53/34/30/452533430.db2.gz	LUJQGKDFCRVBLE-HULFFUFUSA-N	-1	0	329.377	3.197	50	0		EGAARM
O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1F	ZINC000000318533	452565038	/nfs/dbraw/zinc/56/50/38/452565038.db2.gz	SNFPQHQOHVXHTI-QGZVFWFLSA-N	-1	0	340.354	3.368	50	0		EGAARM
CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(C)c3C)ccc21	ZINC000000428661	452588723	/nfs/dbraw/zinc/58/87/23/452588723.db2.gz	NPSBOJFEKBMXBC-UHFFFAOYSA-N	-1	0	344.436	3.013	50	0		EGAARM
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)[O-])cc1	ZINC000000608976	452630434	/nfs/dbraw/zinc/63/04/34/452630434.db2.gz	KTCNPAVZBYNXHD-UHFFFAOYSA-N	-1	0	339.800	3.004	50	0		EGAARM
CC(=O)c1cccc(NC(=S)Nc2ccc(CC(=O)[O-])cc2)c1	ZINC000000621461	452633014	/nfs/dbraw/zinc/63/30/14/452633014.db2.gz	JRYXBWYIASNLKZ-UHFFFAOYSA-N	-1	0	328.393	3.325	50	0		EGAARM
CC(C)(C)OC(=O)N[C@@H](CCSCc1ccccc1)C(=O)[O-]	ZINC000002571895	452705007	/nfs/dbraw/zinc/70/50/07/452705007.db2.gz	ACZRILZGPVJXKH-ZDUSSCGKSA-N	-1	0	325.430	3.288	50	0		EGAARM
CC[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1)n1nc(C)c(Cl)c1C	ZINC000002731468	452716755	/nfs/dbraw/zinc/71/67/55/452716755.db2.gz	UTFZCLYUSDOJRY-CYBMUJFWSA-N	-1	0	335.791	3.441	50	0		EGAARM
O=C([O-])c1ccc2c3c(cccc13)C(=O)N(c1ccccc1O)C2=O	ZINC000004985206	452830405	/nfs/dbraw/zinc/83/04/05/452830405.db2.gz	IUXQCIXYXJMMTK-UHFFFAOYSA-N	-1	0	333.299	3.044	50	0		EGAARM
CSCC[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[O-]	ZINC000005156329	452840384	/nfs/dbraw/zinc/84/03/84/452840384.db2.gz	BIJMNKCKXXJXLE-VIFPVBQESA-N	-1	0	337.228	3.321	50	0		EGAARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCCc2ccccc21	ZINC000005163918	452842480	/nfs/dbraw/zinc/84/24/80/452842480.db2.gz	JLGLGUCBRXVUCB-MSOLQXFVSA-N	-1	0	338.407	3.059	50	0		EGAARM
CCOC(=O)c1ccc(Oc2coc3cc([O-])ccc3c2=O)cc1	ZINC000006499534	452947803	/nfs/dbraw/zinc/94/78/03/452947803.db2.gz	LMNOXBUFIHGLBO-UHFFFAOYSA-N	-1	0	326.304	3.468	50	0	biogenic	EGAARM
CCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1	ZINC000006706807	452974182	/nfs/dbraw/zinc/97/41/82/452974182.db2.gz	WMQPBSZYSXOSBQ-UHFFFAOYSA-N	-1	0	338.454	3.031	50	0		EGAARM
COc1ccc(C)cc1S(=O)(=O)[N-]c1cccc2cccnc21	ZINC000007709490	453105793	/nfs/dbraw/zinc/10/57/93/453105793.db2.gz	ONKMZSSCPSIGKG-UHFFFAOYSA-N	-1	0	328.393	3.353	50	0		EGAARM
O=C([O-])COc1ccc(C=C2SC(=S)NC2=O)cc1Cl	ZINC000013799632	453488816	/nfs/dbraw/zinc/48/88/16/453488816.db2.gz	UVYOPTXUMGKWCN-WTKPLQERSA-N	-1	0	329.786	3.133	50	0		EGAARM
C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2C(=O)[O-])C[C@H](C)O1	ZINC000018193227	453646664	/nfs/dbraw/zinc/64/66/64/453646664.db2.gz	IUZRMOWCCNQRTA-OKILXGFUSA-N	-1	0	339.391	3.301	50	0		EGAARM
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c(C)c1C	ZINC000032601624	453879411	/nfs/dbraw/zinc/87/94/11/453879411.db2.gz	KVTCRFYBVDBEMW-UHFFFAOYSA-N	-1	0	349.408	3.201	50	0		EGAARM
CCCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1C	ZINC000032601679	453879428	/nfs/dbraw/zinc/87/94/28/453879428.db2.gz	YLMWHQBIXICYRN-UHFFFAOYSA-N	-1	0	349.408	3.283	50	0		EGAARM
O=C([O-])c1nccnc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl	ZINC000034236390	453919163	/nfs/dbraw/zinc/91/91/63/453919163.db2.gz	IXINDWDWXOMDNM-UHFFFAOYSA-N	-1	0	345.664	3.099	50	0		EGAARM
Cc1ccccc1SC1CCN(C(=O)CCc2cc(=O)[n-]o2)CC1	ZINC000077337727	454093486	/nfs/dbraw/zinc/09/34/86/454093486.db2.gz	ZYAIYPQXSHWPKK-UHFFFAOYSA-N	-1	0	346.452	3.405	50	0		EGAARM
Cc1nc(-c2cccc(NC(=O)[C@@H]3[C@@H](C(=O)[O-])C3(C)C)c2)cs1	ZINC000071284150	454203951	/nfs/dbraw/zinc/20/39/51/454203951.db2.gz	SCGWAARBKYNXQJ-KBPBESRZSA-N	-1	0	330.409	3.414	50	0		EGAARM
Cc1ccc2nc(C)cc(C(=O)N(C)[C@@H](C(=O)[O-])c3cccnc3)c2c1	ZINC000095529864	454229519	/nfs/dbraw/zinc/22/95/19/454229519.db2.gz	GUTHJUYKLZKSID-GOSISDBHSA-N	-1	0	349.390	3.145	50	0		EGAARM
CC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2ccccc2C(F)(F)F)C1	ZINC000091325704	454427558	/nfs/dbraw/zinc/42/75/58/454427558.db2.gz	HZUPVDPYGAEOKC-MRXNPFEDSA-N	-1	0	343.345	3.351	50	0		EGAARM
O=C([O-])[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)OCc1ccccc1	ZINC000253188647	455831531	/nfs/dbraw/zinc/83/15/31/455831531.db2.gz	XEFKTZBOJCDHDB-RYUDHWBXSA-N	-1	0	331.290	3.051	50	0		EGAARM
O=C([O-])c1cccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c1	ZINC000261684104	455928082	/nfs/dbraw/zinc/92/80/82/455928082.db2.gz	AEQBXKRKEBTWPE-QGZVFWFLSA-N	-1	0	341.363	3.195	50	0		EGAARM
CC(C)[C@@H](CO)N(C)C(=O)c1ccc(-c2ccc(O)cc2F)cc1	ZINC000426720035	457883619	/nfs/dbraw/zinc/88/36/19/457883619.db2.gz	WQCGHHVUKLHDQZ-GOSISDBHSA-N	-1	0	331.387	3.287	50	0		EGAARM
Cc1cc(S(=O)(=O)N[C@@H](C)Cc2ccccn2)c(Cl)cc1F	ZINC000655651400	461345263	/nfs/dbraw/zinc/34/52/63/461345263.db2.gz	NSSSEHLOUWTOHC-NSHDSACASA-N	-1	0	342.823	3.092	50	0		EGAARM
O=C([O-])[C@@H]1CC12CN(C(=O)OCC1c3ccccc3-c3ccccc31)C2	ZINC000307186163	547460454	/nfs/dbraw/zinc/46/04/54/547460454.db2.gz	UDVDZQYKIXBMOY-SFHVURJKSA-N	-1	0	349.386	3.342	50	0		EGAARM
O=C([O-])[C@@H]1[C@@H]2CC=C[C@@H]2c2cc([N+](=O)[O-])cc3c2N1C[C@@H]1CC=C[C@H]31	ZINC000247374516	1296389903	/nfs/dbraw/zinc/38/99/03/1296389903.db2.gz	HXHDAYQUOCEHKQ-KGPAQONLSA-N	-1	0	338.363	3.201	50	0		EGAARM
CN(C[C@H]1CCCO1)c1noc(-c2ccc(Cl)cc2)c1C(=O)[O-]	ZINC001704331287	1416446010	/nfs/dbraw/zinc/44/60/10/1416446010.db2.gz	QFWKBSJCDQVVTA-GFCCVEGCSA-N	-1	0	336.775	3.308	50	0		EGAARM
O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1	ZINC000006699658	1424452502	/nfs/dbraw/zinc/45/25/02/1424452502.db2.gz	DVYVZPGHRBVPAG-UHFFFAOYSA-N	-1	0	333.273	3.138	50	0	in-vitro	EGAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c1	ZINC000004741062	210265636	/nfs/dbraw/zinc/26/56/36/210265636.db2.gz	QMRAOLNAWGCFEO-UHFFFAOYSA-N	-1	0	341.816	3.466	50	0		EGAARM
Cc1ccc(NC(=O)CSc2nc(=O)c3sccc3[n-]2)cc1	ZINC000051317181	214087964	/nfs/dbraw/zinc/08/79/64/214087964.db2.gz	YJBGZWXIEYIIOE-UHFFFAOYSA-N	-1	0	331.422	3.024	50	0		EGAARM
O=C([O-])c1nn(-c2nc(-c3ccccc3)cs2)c(=O)c2ccccc21	ZINC000054361215	214233378	/nfs/dbraw/zinc/23/33/78/214233378.db2.gz	AUXSFQZTVUQDRO-UHFFFAOYSA-N	-1	0	349.371	3.207	50	0		EGAARM
COc1ccc(OCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1	ZINC000004679874	210246258	/nfs/dbraw/zinc/24/62/58/210246258.db2.gz	GSCJZVMERVCJEY-UHFFFAOYSA-N	-1	0	335.743	3.064	50	0		EGAARM
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000004652308	210238471	/nfs/dbraw/zinc/23/84/71/210238471.db2.gz	FVUAQZYJHCRJGO-QWRGUYRKSA-N	-1	0	328.195	3.277	50	0		EGAARM
O=C([O-])C1=Nc2ncnn2[C@H](c2cccc(Oc3ccccc3)c2)C1	ZINC000100243182	219095392	/nfs/dbraw/zinc/09/53/92/219095392.db2.gz	RLLKTGBQZKETRD-INIZCTEOSA-N	-1	0	334.335	3.054	50	0		EGAARM
Cc1sc(C2CCN(C(=O)OC(C)(C)C)CC2)nc1CC(=O)[O-]	ZINC000004287709	210162566	/nfs/dbraw/zinc/16/25/66/210162566.db2.gz	IHHZQULPYDMAOP-UHFFFAOYSA-N	-1	0	340.445	3.193	50	0		EGAARM
COc1ccc2[nH]c(C)c(C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])c2c1	ZINC000040566507	213352640	/nfs/dbraw/zinc/35/26/40/213352640.db2.gz	GLKSHZNZQVZZJQ-HNNXBMFYSA-N	-1	0	348.399	3.005	50	0		EGAARM
O=C([O-])[C@H]1CCCN(C(=O)CCn2ccc3c2cccc3Cl)C1	ZINC000040286743	213289277	/nfs/dbraw/zinc/28/92/77/213289277.db2.gz	MYNGKFAHWDCSHX-LBPRGKRZSA-N	-1	0	334.803	3.008	50	0		EGAARM
O=C([O-])C1CCN(C(=O)CCn2ccc3c2cccc3Cl)CC1	ZINC000040287496	213289322	/nfs/dbraw/zinc/28/93/22/213289322.db2.gz	UWZPJRHGTFATHG-UHFFFAOYSA-N	-1	0	334.803	3.008	50	0		EGAARM
O=C([O-])C1CCC(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)CC1	ZINC000000194178	304037873	/nfs/dbraw/zinc/03/78/73/304037873.db2.gz	KWXASNQKPVUGES-UHFFFAOYSA-N	-1	0	342.178	3.233	50	0		EGAARM
O=C([O-])CCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2	ZINC000034928848	213000978	/nfs/dbraw/zinc/00/09/78/213000978.db2.gz	HCSUJSDQIGCTOZ-UHFFFAOYSA-N	-1	0	336.347	3.285	50	0		EGAARM
O=C([O-])C[C@H](c1ccccc1F)n1cccc1C(=O)C(F)(F)F	ZINC000012959121	304082218	/nfs/dbraw/zinc/08/22/18/304082218.db2.gz	RULIAJPAYIIMQG-GFCCVEGCSA-N	-1	0	329.249	3.436	50	0		EGAARM
O=C([O-])Cc1c(Br)c(F)cc(F)c1Br	ZINC000263622876	304087677	/nfs/dbraw/zinc/08/76/77/304087677.db2.gz	BPFVWSAJEYFCFB-UHFFFAOYSA-N	-1	0	329.922	3.117	50	0		EGAARM
COc1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)[O-])cc1	ZINC000000169169	209461684	/nfs/dbraw/zinc/46/16/84/209461684.db2.gz	MZZFUYXERIPXAS-XNTDXEJSSA-N	-1	0	331.755	3.204	50	0	biogenic	EGAARM
Cc1cccc(OC2(C(=O)[O-])CCN(C(=O)C[C@@H]3C=CCC3)CC2)c1	ZINC000072458399	216243818	/nfs/dbraw/zinc/24/38/18/216243818.db2.gz	GISDPLSDHJQCAW-MRXNPFEDSA-N	-1	0	343.423	3.176	50	0		EGAARM
O=C([O-])C1(Oc2ccccc2F)CCN(C(=O)C[C@H]2C=CCC2)CC1	ZINC000072474006	216251614	/nfs/dbraw/zinc/25/16/14/216251614.db2.gz	HRUPRCSAPGRREH-AWEZNQCLSA-N	-1	0	347.386	3.007	50	0		EGAARM
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1F	ZINC000013323798	304099822	/nfs/dbraw/zinc/09/98/22/304099822.db2.gz	NMUZNZIRSVKYPZ-NXEZZACHSA-N	-1	0	331.265	3.450	50	0		EGAARM
CCc1nc2sc([C@@H](c3cccc(F)c3)N3CCCC3)c([O-])n2n1	ZINC000022852956	212329052	/nfs/dbraw/zinc/32/90/52/212329052.db2.gz	ZLPRRLATQVBCKM-CQSZACIVSA-N	-1	0	346.431	3.383	50	0		EGAARM
Cc1cc([O-])c(C2=NCCS[C@H](c3cccc(F)c3)C2)c(=O)o1	ZINC000022018206	212270789	/nfs/dbraw/zinc/27/07/89/212270789.db2.gz	NDQQZHRGCHTJBY-HNNXBMFYSA-N	-1	0	333.384	3.460	50	0		EGAARM
O=C([O-])c1ccc(OCCCN2CCC[C@H]2c2nccs2)cc1	ZINC000244715953	243062123	/nfs/dbraw/zinc/06/21/23/243062123.db2.gz	LFPOWHUJFKHZDO-HNNXBMFYSA-N	-1	0	332.425	3.447	50	0		EGAARM
C[C@@H](c1ccccc1)[C@@H]1CC(=O)N(c2cccc(C=CC(=O)[O-])c2)C1=O	ZINC000020028878	212094305	/nfs/dbraw/zinc/09/43/05/212094305.db2.gz	PYXOKILXRBHECR-QUMLYMBLSA-N	-1	0	349.386	3.468	50	0		EGAARM
COc1ccc(CNc2ncc(Br)cc2C(=O)[O-])cc1	ZINC000050042987	214042013	/nfs/dbraw/zinc/04/20/13/214042013.db2.gz	DQWQZYIWJHDTRH-UHFFFAOYSA-N	-1	0	337.173	3.163	50	0		EGAARM
O=C([O-])[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)C2CCCC2)C1	ZINC000071388544	304213322	/nfs/dbraw/zinc/21/33/22/304213322.db2.gz	ZNEVKUYNVCMKLJ-IBGZPJMESA-N	-1	0	333.403	3.252	50	0		EGAARM
C[C@@H]1CN(c2nc(-c3ccccc3)ccc2C(=O)[O-])C[C@@]1(O)C1CC1	ZINC000091650716	218040344	/nfs/dbraw/zinc/04/03/44/218040344.db2.gz	JQROXYSFWVFZGR-XCLFUZPHSA-N	-1	0	338.407	3.044	50	0		EGAARM
CSCc1ccc(C(=O)N2CCC[C@](CC3CC3)(C(=O)[O-])C2)o1	ZINC000091663986	218043553	/nfs/dbraw/zinc/04/35/53/218043553.db2.gz	ADBMDSGILBPXOG-QGZVFWFLSA-N	-1	0	337.441	3.250	50	0		EGAARM
CCOCCOc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1	ZINC000009878198	211130171	/nfs/dbraw/zinc/13/01/71/211130171.db2.gz	VUVOUDNCVVMYFD-UHFFFAOYSA-N	-1	0	329.352	3.052	50	0		EGAARM
CC(C)n1ncc2c1nc(-c1ccc3c(c1)OCCO3)cc2C(=O)[O-]	ZINC000009256656	211060114	/nfs/dbraw/zinc/06/01/14/211060114.db2.gz	ANWKDRFBQQMRJA-UHFFFAOYSA-N	-1	0	339.351	3.149	50	0		EGAARM
Cc1cc(C)nc([N-]c2n[nH]c(COc3cccc4cccnc43)n2)n1	ZINC000009088262	211039256	/nfs/dbraw/zinc/03/92/56/211039256.db2.gz	NCRGJEMRXBDVEJ-UHFFFAOYSA-N	-1	0	347.382	3.082	50	0		EGAARM
COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1	ZINC000009002281	211030284	/nfs/dbraw/zinc/03/02/84/211030284.db2.gz	FLZKVFXSOADPEB-UHFFFAOYSA-N	-1	0	339.438	3.459	50	0		EGAARM
CCc1nc(C)sc1Cn1cc(-c2ccccc2C(=O)[O-])nn1	ZINC000095361023	218294695	/nfs/dbraw/zinc/29/46/95/218294695.db2.gz	FVKRSLSYGNPDLO-UHFFFAOYSA-N	-1	0	328.397	3.019	50	0		EGAARM
O=C([O-])c1cccc([C@H]2CCCN(C(=O)CCc3ccncc3)C2)c1	ZINC000095363953	218296437	/nfs/dbraw/zinc/29/64/37/218296437.db2.gz	CMXUDBQMEHRHCD-SFHVURJKSA-N	-1	0	338.407	3.119	50	0		EGAARM
Cc1[n-]n2c(nc(CSc3ncccn3)cc2=O)c1-c1ccccc1	ZINC000008991201	211027777	/nfs/dbraw/zinc/02/77/77/211027777.db2.gz	JPFUOSMVQBPACO-UHFFFAOYSA-N	-1	0	349.419	3.493	50	0		EGAARM
CCc1nc2ccccc2n1Cc1nc2ccccc2n1CC(=O)[O-]	ZINC000006703171	210686570	/nfs/dbraw/zinc/68/65/70/210686570.db2.gz	HSFSNDSSFDZKGM-UHFFFAOYSA-N	-1	0	334.379	3.081	50	0		EGAARM
O=C([O-])c1ccccc1C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1	ZINC000006746492	210699000	/nfs/dbraw/zinc/69/90/00/210699000.db2.gz	RDCWTWYLLAJMTE-OAHLLOKOSA-N	-1	0	341.363	3.195	50	0		EGAARM
CN(CC(=O)[O-])C(=O)NC12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2	ZINC000005043542	210373140	/nfs/dbraw/zinc/37/31/40/210373140.db2.gz	AOQZCVJUXKFHPL-JNKARSBBSA-N	-1	0	342.439	3.003	50	0		EGAARM
Cc1cc(OCC(=O)Nc2ccc(O)cc2C(=O)[O-])cc(C)c1Cl	ZINC000004826444	210289330	/nfs/dbraw/zinc/28/93/30/210289330.db2.gz	WQVWKCXEIVVJIN-UHFFFAOYSA-N	-1	0	349.770	3.378	50	0		EGAARM
O=C([O-])c1cnn2c1N[C@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F	ZINC000000226839	304280119	/nfs/dbraw/zinc/28/01/19/304280119.db2.gz	XSJNLTMLNRRDMX-QWRGUYRKSA-N	-1	0	329.253	3.381	50	0		EGAARM
CC(C)(Cc1ccc(O)cc1)NC(=O)[C@H](C(=O)[O-])C1CCCCC1	ZINC000299757644	258075609	/nfs/dbraw/zinc/07/56/09/258075609.db2.gz	IERVRPYWLUCURI-MRXNPFEDSA-N	-1	0	333.428	3.111	50	0		EGAARM
C[C@@H](OCc1ccc(Cl)cc1)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000002555049	452704793	/nfs/dbraw/zinc/70/47/93/452704793.db2.gz	XTUUXTJZDRXJIL-MFKMUULPSA-N	-1	0	343.807	3.223	50	0		EGAARM
O=C1NC(=O)C(=Cc2cc(Br)cc(Cl)c2[O-])S1	ZINC000001515350	280278213	/nfs/dbraw/zinc/27/82/13/280278213.db2.gz	UTXJEPZIHSPYKQ-FARCUNLSSA-N	-1	0	334.578	3.132	50	0		EGAARM
Cc1cc(C)c(C)c(S(=O)(=O)N(C)c2ccccc2C(=O)[O-])c1C	ZINC000004842768	301173928	/nfs/dbraw/zinc/17/39/28/301173928.db2.gz	GHXKVEZZILJVIB-UHFFFAOYSA-N	-1	0	347.436	3.444	50	0		EGAARM
Cc1nc(N[C@H](c2cccs2)[C@H]2C[C@@H](O)C2)c(Cl)c(=O)[n-]1	ZINC000244734463	455276289	/nfs/dbraw/zinc/27/62/89/455276289.db2.gz	NFXFRUGUCNXKGD-SBMIAAHKSA-N	-1	0	325.821	3.130	50	0		EGAARM
Cc1nc(N[C@@H](c2cccs2)[C@H]2C[C@@H](O)C2)c(Cl)c(=O)[n-]1	ZINC000244734464	455277116	/nfs/dbraw/zinc/27/71/16/455277116.db2.gz	NFXFRUGUCNXKGD-VDDIYKPWSA-N	-1	0	325.821	3.130	50	0		EGAARM
O=c1oc2cc(Br)c([O-])c(Br)c2s1	ZINC000000061840	452496056	/nfs/dbraw/zinc/49/60/56/452496056.db2.gz	IMCHHEFYSSYRFL-UHFFFAOYSA-N	-1	0	325.965	3.085	50	0		EGAARM
O=C([O-])c1ccccc1C(=O)N(Cc1ccccn1)Cc1ccccn1	ZINC000000118304	452512523	/nfs/dbraw/zinc/51/25/23/452512523.db2.gz	ZBEVGAXOTRDKJI-UHFFFAOYSA-N	-1	0	347.374	3.017	50	0		EGAARM
COc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1	ZINC000000117225	452512952	/nfs/dbraw/zinc/51/29/52/452512952.db2.gz	UJYQXDUESKLNIM-HNNXBMFYSA-N	-1	0	333.771	3.294	50	0		EGAARM
O=C([O-])c1cc(Cl)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1	ZINC000000170168	452527381	/nfs/dbraw/zinc/52/73/81/452527381.db2.gz	JISPEGBVULHADZ-UHFFFAOYSA-N	-1	0	331.677	3.267	50	0		EGAARM
O=C([O-])c1ccc(N2C(=O)C[C@@H](Cc3ccc(Cl)cc3)C2=O)cc1	ZINC000000203032	452534769	/nfs/dbraw/zinc/53/47/69/452534769.db2.gz	NJJYCKFCHIWOOT-CYBMUJFWSA-N	-1	0	343.766	3.160	50	0		EGAARM
COC(=O)c1c(-c2ccccc2)csc1NC(=O)CCCC(=O)[O-]	ZINC000000204997	452535664	/nfs/dbraw/zinc/53/56/64/452535664.db2.gz	LXBPOWXHJKJQHP-UHFFFAOYSA-N	-1	0	347.392	3.395	50	0		EGAARM
CCc1cc2c(ncnc2N[C@H](Cc2ccccc2)C(=O)[O-])s1	ZINC000000250167	452545730	/nfs/dbraw/zinc/54/57/30/452545730.db2.gz	JKCVGZRZNDGRMG-CQSZACIVSA-N	-1	0	327.409	3.362	50	0		EGAARM
O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O	ZINC000000243222	452546225	/nfs/dbraw/zinc/54/62/25/452546225.db2.gz	WQJRCVALNJFUHE-UHFFFAOYSA-N	-1	0	336.130	3.492	50	0		EGAARM
O=C([O-])[C@@H](Cc1ccccc1)Nc1ncnc2c3ccccc3oc21	ZINC000000383020	452576551	/nfs/dbraw/zinc/57/65/51/452576551.db2.gz	AJRLFWZZRHSNQZ-CQSZACIVSA-N	-1	0	333.347	3.484	50	0	biogenic	EGAARM
COc1cc(S(=O)(=O)[N-]c2cccnc2)c(Cl)cc1Cl	ZINC000000384640	452576691	/nfs/dbraw/zinc/57/66/91/452576691.db2.gz	ZCRRNWAKAHJZDZ-UHFFFAOYSA-N	-1	0	333.196	3.198	50	0		EGAARM
O=C([O-])c1ccc(NS(=O)(=O)c2cccc3ccccc32)cc1	ZINC000000571015	452626075	/nfs/dbraw/zinc/62/60/75/452626075.db2.gz	OZHJRRJWXFGVAF-UHFFFAOYSA-N	-1	0	327.361	3.339	50	0		EGAARM
O=C([O-])c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc1	ZINC000000576019	452628045	/nfs/dbraw/zinc/62/80/45/452628045.db2.gz	XUCUQIJVPBSBHR-NTEUORMPSA-N	-1	0	327.723	3.383	50	0		EGAARM
COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OC)cc1Cl	ZINC000000615191	452631104	/nfs/dbraw/zinc/63/11/04/452631104.db2.gz	OHGYTFHFUDWFHV-UHFFFAOYSA-N	-1	0	341.816	3.466	50	0		EGAARM
CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1	ZINC000000813867	452637498	/nfs/dbraw/zinc/63/74/98/452637498.db2.gz	ZRIOCQBDATXXSN-LLVKDONJSA-N	-1	0	338.454	3.077	50	0		EGAARM
[O-]C(N=c1[nH]c2ccccc2s1)=C(C(F)(F)F)C(F)(F)F	ZINC000002282440	452692149	/nfs/dbraw/zinc/69/21/49/452692149.db2.gz	NYGXSUQZWJCTNB-UHFFFAOYSA-N	-1	0	328.237	3.398	50	0		EGAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2cnc3ccccc3c2)c1	ZINC000002479470	452700336	/nfs/dbraw/zinc/70/03/36/452700336.db2.gz	JZSPHTPWUXNQGB-UHFFFAOYSA-N	-1	0	344.392	3.053	50	0		EGAARM
C[C@@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000002562489	452703878	/nfs/dbraw/zinc/70/38/78/452703878.db2.gz	LYMLSPRRJWJJQD-LBPRGKRZSA-N	-1	0	325.364	3.388	50	0		EGAARM
Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)c1C	ZINC000002709626	452716718	/nfs/dbraw/zinc/71/67/18/452716718.db2.gz	PSHPILRBLRCHCW-UHFFFAOYSA-N	-1	0	349.408	3.125	50	0		EGAARM
CCOc1ccc2cc(S(=O)(=O)[N-]c3ccccn3)ccc2c1	ZINC000005980534	452913992	/nfs/dbraw/zinc/91/39/92/452913992.db2.gz	NILQAIIZTKGWAT-UHFFFAOYSA-N	-1	0	328.393	3.434	50	0		EGAARM
CC(C)OC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1	ZINC000006699442	452971187	/nfs/dbraw/zinc/97/11/87/452971187.db2.gz	YSSRKZUOAPFAFO-CABCVRRESA-N	-1	0	333.384	3.081	50	0		EGAARM
COc1cccc([N-]S(=O)(=O)c2ccccc2Br)c1	ZINC000007052981	453024631	/nfs/dbraw/zinc/02/46/31/453024631.db2.gz	HSQPAIMHRBPZFR-UHFFFAOYSA-N	-1	0	342.214	3.259	50	0		EGAARM
CCCC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1	ZINC000014838878	453544988	/nfs/dbraw/zinc/54/49/88/453544988.db2.gz	DAIORVXXNFLUKZ-HUUCEWRRSA-N	-1	0	332.400	3.255	50	0		EGAARM
COc1ccc(-c2nnc([N-]S(=O)(=O)c3ccccc3)s2)cc1	ZINC000016360986	453602257	/nfs/dbraw/zinc/60/22/57/453602257.db2.gz	UGUFESPQUXQECX-UHFFFAOYSA-N	-1	0	347.421	3.015	50	0		EGAARM
CC(C)OC(=O)c1ccsc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000017071108	453628138	/nfs/dbraw/zinc/62/81/38/453628138.db2.gz	XIUMCHZIBTZQMA-MNOVXSKESA-N	-1	0	339.413	3.143	50	0		EGAARM
Cn1ccc2ccc(C(=O)N[C@@]3(C(=O)[O-])CCCc4ccccc43)cc21	ZINC000095510329	454225326	/nfs/dbraw/zinc/22/53/26/454225326.db2.gz	JHEMVBXCCVGYKF-NRFANRHFSA-N	-1	0	348.402	3.225	50	0		EGAARM
O=C([O-])[C@@H]1CN(C(=O)CCc2cccs2)C[C@H]1c1ccc(F)cc1	ZINC000091304531	454423467	/nfs/dbraw/zinc/42/34/67/454423467.db2.gz	YLGATJLAADHARD-JKSUJKDBSA-N	-1	0	347.411	3.147	50	0		EGAARM
Cc1ccccc1-n1c(SCC(=O)[O-])nnc1-c1ccc(O)cc1	ZINC000065386020	454557389	/nfs/dbraw/zinc/55/73/89/454557389.db2.gz	WOFDHYQLCMWGIS-UHFFFAOYSA-N	-1	0	341.392	3.125	50	0		EGAARM
Cc1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)[C@@H](C)C4)cc1	ZINC000299738268	456778151	/nfs/dbraw/zinc/77/81/51/456778151.db2.gz	PAPGEKXNHAOISW-LBPRGKRZSA-N	-1	0	334.375	3.385	50	0		EGAARM
CCO[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1	ZINC000585134496	459828214	/nfs/dbraw/zinc/82/82/14/459828214.db2.gz	WKWINQHRGLUONO-ZDUSSCGKSA-N	-1	0	343.379	3.327	50	0		EGAARM
O=C(N[C@H]1C[C@H](C(=O)[O-])C1)OCC1c2ccccc2-c2ccccc21	ZINC000253183651	547318003	/nfs/dbraw/zinc/31/80/03/547318003.db2.gz	LQVPKLDMKLANJH-JOCQHMNTSA-N	-1	0	337.375	3.388	50	0		EGAARM
O=C([O-])C1CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000253183655	547318010	/nfs/dbraw/zinc/31/80/10/547318010.db2.gz	LQVPKLDMKLANJH-UHFFFAOYSA-N	-1	0	337.375	3.388	50	0		EGAARM
Cc1cc(NC[C@@H](c2ccco2)[NH+](C)C)nc(-c2ccccc2[O-])n1	ZINC001704278189	1416417986	/nfs/dbraw/zinc/41/79/86/1416417986.db2.gz	CHTRIFUINKMAOX-HNNXBMFYSA-N	-1	0	338.411	3.465	50	0		EGAARM
COc1cc(-c2onc(N3CCC[C@@H](C)C3)c2C(=O)[O-])ccc1F	ZINC001704315420	1416440052	/nfs/dbraw/zinc/44/00/52/1416440052.db2.gz	CTPLCRVYFDTCPO-SNVBAGLBSA-N	-1	0	334.347	3.424	50	0		EGAARM
Cc1ccsc1CN(C(=O)c1ccccc1-c1nn[n-]n1)C1CC1	ZINC000067755168	1423951537	/nfs/dbraw/zinc/95/15/37/1423951537.db2.gz	BDSGBYRFDRNFCS-UHFFFAOYSA-N	-1	0	339.424	3.041	50	0		EGAARM
COc1ccc(-n2[n-]c(-c3ccc(OC)c(OC)c3)cc2=O)cc1	ZINC000100238846	219095236	/nfs/dbraw/zinc/09/52/36/219095236.db2.gz	CSFTUMALMJSVPC-UHFFFAOYSA-N	-1	0	326.352	3.271	50	0		EGAARM
O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CC1	ZINC000004242011	210149842	/nfs/dbraw/zinc/14/98/42/210149842.db2.gz	YMLZBPTXRMNAFP-SFHVURJKSA-N	-1	0	337.375	3.388	50	0		EGAARM
O=C([O-])CSCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1	ZINC000004084623	210116909	/nfs/dbraw/zinc/11/69/09/210116909.db2.gz	PBFJREWLZRQCCM-UHFFFAOYSA-N	-1	0	342.829	3.220	50	0		EGAARM
O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000002886627	209936489	/nfs/dbraw/zinc/93/64/89/209936489.db2.gz	YKJHDHHIYSFGGR-UHFFFAOYSA-N	-1	0	346.191	3.492	50	0		EGAARM
C[C@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000002562487	209869253	/nfs/dbraw/zinc/86/92/53/209869253.db2.gz	LYMLSPRRJWJJQD-GFCCVEGCSA-N	-1	0	325.364	3.388	50	0		EGAARM
O=C([O-])c1ccc([C@H]2CC(=O)Nc3c2ncn3-c2cccnc2)cc1	ZINC000040286273	213288104	/nfs/dbraw/zinc/28/81/04/213288104.db2.gz	SSEOUKRXAZWKKR-CQSZACIVSA-N	-1	0	334.335	3.089	50	0		EGAARM
CCC(=O)Nc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1C	ZINC000036566170	213100623	/nfs/dbraw/zinc/10/06/23/213100623.db2.gz	KVPRGQQVNRKTCE-CHWSQXEVSA-N	-1	0	332.400	3.173	50	0		EGAARM
Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3C(=O)[O-])C2)cc1F	ZINC000072169238	216061258	/nfs/dbraw/zinc/06/12/58/216061258.db2.gz	NTDJJYIWPIRSFM-CQSZACIVSA-N	-1	0	327.355	3.462	50	0		EGAARM
COc1ccc(CC(=O)N2[N-]C(=O)SC=C2c2ccccc2)cc1	ZINC000000408201	209572843	/nfs/dbraw/zinc/57/28/43/209572843.db2.gz	VNXBRNSFBLPHSG-UHFFFAOYSA-N	-1	0	340.404	3.436	50	0		EGAARM
CCOC(=O)C[C@H](c1ccsc1)c1c(=O)[nH]c2ccccc2c1[O-]	ZINC000072404684	216195973	/nfs/dbraw/zinc/19/59/73/216195973.db2.gz	YPQQHJTYFGRADR-CYBMUJFWSA-N	-1	0	343.404	3.380	50	0		EGAARM
CCCN1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1	ZINC000000070014	209399645	/nfs/dbraw/zinc/39/96/45/209399645.db2.gz	VQZMBKSKJMYQOE-ZWKOTPCHSA-N	-1	0	339.391	3.471	50	0		EGAARM
CC[C@H](C)OC(=O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000245253582	243099376	/nfs/dbraw/zinc/09/93/76/243099376.db2.gz	IILHURVYVFCVLC-MAZHCROVSA-N	-1	0	345.395	3.247	50	0		EGAARM
C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21)C(=O)[O-]	ZINC000080329859	217298319	/nfs/dbraw/zinc/29/83/19/217298319.db2.gz	HXAIXSWZAUFOQG-LLVKDONJSA-N	-1	0	338.338	3.244	50	0		EGAARM
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1F	ZINC000013323800	304176036	/nfs/dbraw/zinc/17/60/36/304176036.db2.gz	NMUZNZIRSVKYPZ-ZJUUUORDSA-N	-1	0	331.265	3.450	50	0		EGAARM
CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1	ZINC000012138531	211303901	/nfs/dbraw/zinc/30/39/01/211303901.db2.gz	DJMYZBCOQWOVHJ-UHFFFAOYSA-N	-1	0	340.379	3.165	50	0		EGAARM
O=C([O-])[C@@H]1CN(C(=O)c2c(F)cccc2F)C[C@H]1c1ccc(F)cc1	ZINC000092078155	218115605	/nfs/dbraw/zinc/11/56/05/218115605.db2.gz	UVGVBEGXIPBTGG-QWHCGFSZSA-N	-1	0	349.308	3.044	50	0		EGAARM
O=c1nc(Nc2ccc(F)cc2)[n-]nc1Cc1ccc(Cl)cc1	ZINC000009170378	211049026	/nfs/dbraw/zinc/04/90/26/211049026.db2.gz	LJQFYBKRVRTZGE-UHFFFAOYSA-N	-1	0	330.750	3.292	50	0		EGAARM
CCCn1nc(NC(=O)CCCC(=O)[O-])c2cc3ccccc3nc21	ZINC000009109211	211040399	/nfs/dbraw/zinc/04/03/99/211040399.db2.gz	FKYULBSTZFSTPS-UHFFFAOYSA-N	-1	0	340.383	3.188	50	0		EGAARM
O=C([O-])c1cc(-c2cccnc2)nc2c1cnn2Cc1cccs1	ZINC000008939981	211021410	/nfs/dbraw/zinc/02/14/10/211021410.db2.gz	FXFVPHZZKFYNNG-UHFFFAOYSA-N	-1	0	336.376	3.301	50	0		EGAARM
Cc1nc(CC(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)cs1	ZINC000095392412	218324298	/nfs/dbraw/zinc/32/42/98/218324298.db2.gz	IZWUWTWEGNZVLW-HNNXBMFYSA-N	-1	0	344.436	3.098	50	0		EGAARM
CCCc1cc(C(=O)NC[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)[nH]n1	ZINC000095392393	218324397	/nfs/dbraw/zinc/32/43/97/218324397.db2.gz	HQWFMZRICURIFB-GFCCVEGCSA-N	-1	0	349.818	3.004	50	0		EGAARM
Cc1c2ccc(OCc3ccc(F)cc3)cc2oc(=O)c1CC(=O)[O-]	ZINC000005025206	210365896	/nfs/dbraw/zinc/36/58/96/210365896.db2.gz	OVISGMQLRCKIOC-UHFFFAOYSA-N	-1	0	342.322	3.447	50	0		EGAARM
O=C([O-])[C@@H](CC(=O)Nc1ccc2ccccc2c1)NCc1ccco1	ZINC000004939769	210331540	/nfs/dbraw/zinc/33/15/40/210331540.db2.gz	HYHVNFKWYJUFHG-QGZVFWFLSA-N	-1	0	338.363	3.004	50	0		EGAARM
COc1cc(C(=O)[O-])cc(C(=O)N2CCc3ccc(F)cc3[C@H]2C)c1	ZINC000097532191	219034536	/nfs/dbraw/zinc/03/45/36/219034536.db2.gz	WKWPKJDFDKRXSD-LLVKDONJSA-N	-1	0	343.354	3.292	50	0		EGAARM
O=C([O-])c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F	ZINC000000226838	304280244	/nfs/dbraw/zinc/28/02/44/304280244.db2.gz	XSJNLTMLNRRDMX-MNOVXSKESA-N	-1	0	329.253	3.381	50	0		EGAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1	ZINC000002539823	258003442	/nfs/dbraw/zinc/00/34/42/258003442.db2.gz	QJERBBQXOMUURJ-INIZCTEOSA-N	-1	0	342.782	3.247	50	0	biogenic,in-man	EGAARM
O=C([O-])c1nsc2c1NC(=O)C[C@H]2c1ccc(F)c(F)c1F	ZINC000072401758	304285374	/nfs/dbraw/zinc/28/53/74/304285374.db2.gz	CIGCNLKVEKCHQJ-YFKPBYRVSA-N	-1	0	328.271	3.382	50	0		EGAARM
CN1C(=O)S/C(=C\c2cc(Cl)c([O-])c(Br)c2)C1=O	ZINC000001185766	289856156	/nfs/dbraw/zinc/85/61/56/289856156.db2.gz	WJTQELIMPWUJAV-YWEYNIOJSA-N	-1	0	348.605	3.474	50	0		EGAARM
COc1ccc(N2C(=O)CC[C@@H](C(=O)[O-])[C@@H]2c2ccccc2)cc1	ZINC000004092473	295155294	/nfs/dbraw/zinc/15/52/94/295155294.db2.gz	MNYJLXJYIKCRFL-AEFFLSMTSA-N	-1	0	325.364	3.264	50	0		EGAARM
COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)[O-])c3N2)c1	ZINC000004196209	295327927	/nfs/dbraw/zinc/32/79/27/295327927.db2.gz	LSTMQXHIFRUHAC-NEPJUHHUSA-N	-1	0	341.289	3.250	50	0	aggregator	EGAARM
Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C)c(C)c1	ZINC000003248378	301200135	/nfs/dbraw/zinc/20/01/35/301200135.db2.gz	LTUWGDCXUSDXKK-UHFFFAOYSA-N	-1	0	333.409	3.419	50	0		EGAARM
COc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1	ZINC000000109807	452509937	/nfs/dbraw/zinc/50/99/37/452509937.db2.gz	FZNQSVNMZZJDHX-HNNXBMFYSA-N	-1	0	333.771	3.294	50	0	biogenic	EGAARM
O=C([O-])CCCC(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1	ZINC000000151724	452523831	/nfs/dbraw/zinc/52/38/31/452523831.db2.gz	PVHMMTDQWNVSNQ-UHFFFAOYSA-N	-1	0	341.289	3.085	50	0		EGAARM
O=S(=O)([N-]c1cnn(Cc2ccc(F)cc2)c1)c1ccc(F)cc1	ZINC000000214923	452538738	/nfs/dbraw/zinc/53/87/38/452538738.db2.gz	PXNJZGBGWXAYPX-UHFFFAOYSA-N	-1	0	349.362	3.010	50	0		EGAARM
Cc1sc2ncnc(N[C@@H](Cc3ccccc3)C(=O)[O-])c2c1C	ZINC000000314757	452562727	/nfs/dbraw/zinc/56/27/27/452562727.db2.gz	ITCLRZBSYTWDRG-ZDUSSCGKSA-N	-1	0	327.409	3.416	50	0		EGAARM
CC(C)(C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000000567127	452624738	/nfs/dbraw/zinc/62/47/38/452624738.db2.gz	YMATWYSXMRXZHA-UHFFFAOYSA-N	-1	0	332.425	3.016	50	0		EGAARM
Cc1cccc(N2C(=O)S[C@@H](Nc3ccccc3C(=O)[O-])C2=O)c1	ZINC000001318059	452653513	/nfs/dbraw/zinc/65/35/13/452653513.db2.gz	NMJRJKQJGIIQTN-CQSZACIVSA-N	-1	0	342.376	3.331	50	0		EGAARM
O=C([O-])c1ccc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)cc1	ZINC000002951540	452736483	/nfs/dbraw/zinc/73/64/83/452736483.db2.gz	URUITJPRUJCASJ-UHFFFAOYSA-N	-1	0	343.722	3.397	50	0		EGAARM
Cc1nn(-c2ccccc2)c2nc(-c3cccnc3)cc(C(=O)[O-])c12	ZINC000012396113	453358286	/nfs/dbraw/zinc/35/82/86/453358286.db2.gz	XFBVGNJKOKKXGS-UHFFFAOYSA-N	-1	0	330.347	3.489	50	0		EGAARM
O=C([O-])CCCCCNC(=O)N1CCC(Cc2ccccc2)CC1	ZINC000013684054	453480166	/nfs/dbraw/zinc/48/01/66/453480166.db2.gz	QSZWHYBNCLTIKZ-UHFFFAOYSA-N	-1	0	332.444	3.296	50	0		EGAARM
O=c1c2ccccc2[n-]c(=S)n1Cc1ccccc1Br	ZINC000017072211	453629288	/nfs/dbraw/zinc/62/92/88/453629288.db2.gz	LXZVWPQKJDBBTI-UHFFFAOYSA-N	-1	0	347.237	3.496	50	0		EGAARM
O=c1c2c(nc3[n-]c(SCc4ccccc4Cl)nn31)CCC2	ZINC000018029786	453640961	/nfs/dbraw/zinc/64/09/61/453640961.db2.gz	FHPAGUUEEXCFHF-UHFFFAOYSA-N	-1	0	332.816	3.264	50	0		EGAARM
O=C([O-])c1cccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)c1	ZINC000017988458	453641414	/nfs/dbraw/zinc/64/14/14/453641414.db2.gz	MSVQNQCNCYKKHH-ZTFGCOKTSA-N	-1	0	349.386	3.458	50	0		EGAARM
C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2C(=O)[O-])C[C@@H](C)O1	ZINC000018193223	453646715	/nfs/dbraw/zinc/64/67/15/453646715.db2.gz	IUZRMOWCCNQRTA-ZIAGYGMSSA-N	-1	0	339.391	3.301	50	0		EGAARM
O=C(CSc1nc(=O)c2sccc2[n-]1)Nc1cccc(F)c1	ZINC000032765489	453888837	/nfs/dbraw/zinc/88/88/37/453888837.db2.gz	DRCLDWGFKCUTPV-UHFFFAOYSA-N	-1	0	335.385	3.267	50	0		EGAARM
Cc1nc(-c2nnn(-c3ccc(C)c(C)c3)c2C)sc1C(=O)[O-]	ZINC000033268091	453912498	/nfs/dbraw/zinc/91/24/98/453912498.db2.gz	SHDWDDPNGQDAOA-UHFFFAOYSA-N	-1	0	328.397	3.323	50	0		EGAARM
COc1cccc(C[C@]2(C(=O)[O-])CCCN(c3ncccc3F)C2)c1	ZINC000071776465	454218140	/nfs/dbraw/zinc/21/81/40/454218140.db2.gz	GQJWPSKOYKQAPW-LJQANCHMSA-N	-1	0	344.386	3.143	50	0		EGAARM
CCN(Cc1cccc(OC)c1OC)C(=O)c1ccc(C(=O)[O-])cc1	ZINC000097076301	454399393	/nfs/dbraw/zinc/39/93/93/454399393.db2.gz	AZZMOSTYHOFELG-UHFFFAOYSA-N	-1	0	343.379	3.064	50	0		EGAARM
COc1ccccc1CCNc1ncnc2sc(C(=O)[O-])c(C)c21	ZINC000299803048	456781900	/nfs/dbraw/zinc/78/19/00/456781900.db2.gz	VJEQJHSCDKNYJX-UHFFFAOYSA-N	-1	0	343.408	3.361	50	0		EGAARM
COCCOc1ccc(-c2nc(C(F)(F)F)c(C(=O)[O-])o2)cc1	ZINC000685942365	550456325	/nfs/dbraw/zinc/45/63/25/550456325.db2.gz	RGHOUSOISJAJAI-UHFFFAOYSA-N	-1	0	331.246	3.084	50	0		EGAARM
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000685944826	550456823	/nfs/dbraw/zinc/45/68/23/550456823.db2.gz	BBKBGSJZQUDYLA-SJKOYZFVSA-N	-1	0	337.375	3.246	50	0		EGAARM
Cn1ccnc1CN1CCC(CCCc2ccccc2)(C(=O)[O-])CC1	ZINC000071747089	1292267635	/nfs/dbraw/zinc/26/76/35/1292267635.db2.gz	PTCJVVJFCUIOGD-UHFFFAOYSA-N	-1	0	341.455	3.110	50	0		EGAARM
CCC[C@]1(C(=O)[O-])CN(c2cc(C)c3cc(C)ccc3n2)CC[C@H]1O	ZINC001704308997	1416437497	/nfs/dbraw/zinc/43/74/97/1416437497.db2.gz	URSNNEOXHQSTAR-XLIONFOSSA-N	-1	0	342.439	3.294	50	0		EGAARM
Cc1cccc(C[C@@H](C(=O)Nc2cc(C)ccc2C)c2nnn[n-]2)c1	ZINC000000418797	1424757175	/nfs/dbraw/zinc/75/71/75/1424757175.db2.gz	WWFUSZBHMXCHDI-MRXNPFEDSA-N	-1	0	335.411	3.090	50	0		EGAARM
Cc1ccccc1NC(=O)CSc1nc(=O)c2sccc2[n-]1	ZINC000051317179	214087539	/nfs/dbraw/zinc/08/75/39/214087539.db2.gz	DLXNUFYMBVSQFN-UHFFFAOYSA-N	-1	0	331.422	3.024	50	0		EGAARM
O=C([O-])c1ccc([C@H]2CC(=O)Nc3c2cnn3Cc2ccccc2)cc1	ZINC000061719376	214674155	/nfs/dbraw/zinc/67/41/55/214674155.db2.gz	PLRMIUXRIBMICV-MRXNPFEDSA-N	-1	0	347.374	3.104	50	0		EGAARM
COc1cccc(C2(C(=O)[O-])CCN(C(=O)OC(C)(C)C)CC2)c1	ZINC000098213830	219088070	/nfs/dbraw/zinc/08/80/70/219088070.db2.gz	JKEQEBNJZQBNCE-UHFFFAOYSA-N	-1	0	335.400	3.049	50	0		EGAARM
COc1ccc([C@H](NC(=O)CCCC(=O)[O-])c2ccccc2)cc1	ZINC000004523740	210214034	/nfs/dbraw/zinc/21/40/34/210214034.db2.gz	ZRMFURHKBIEJNT-LJQANCHMSA-N	-1	0	327.380	3.156	50	0		EGAARM
Cc1[n-]n(-c2ccccc2)c(=O)c1CCC(=O)NCc1ccccc1	ZINC000100166781	219093238	/nfs/dbraw/zinc/09/32/38/219093238.db2.gz	TWTNBPLTIKMTRZ-SFHVURJKSA-N	-1	0	335.407	3.122	50	0		EGAARM
C[C@H](NC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3)c1ccccc1	ZINC000100662782	219104182	/nfs/dbraw/zinc/10/41/82/219104182.db2.gz	VVVYWXCAZJKVEQ-ZDUSSCGKSA-N	-1	0	348.402	3.144	50	0		EGAARM
CCc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1	ZINC000101167651	219117939	/nfs/dbraw/zinc/11/79/39/219117939.db2.gz	XXQKGXNBOAJTJZ-ZWKOTPCHSA-N	-1	0	348.406	3.051	50	0		EGAARM
CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])Cc1cc(F)c(F)cc1F	ZINC000004242022	210149436	/nfs/dbraw/zinc/14/94/36/210149436.db2.gz	TUAXCHGULMWHIO-SECBINFHSA-N	-1	0	333.306	3.014	50	0		EGAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(-c4cc(C)cc(C)c4)c=3c2=O)cc1	ZINC000102807968	219232071	/nfs/dbraw/zinc/23/20/71/219232071.db2.gz	XVSCYKPGYCYGES-MSOLQXFVSA-N	-1	0	348.406	3.364	50	0		EGAARM
O=C([O-])C1CCC(CNC(=O)CCn2ccc3ccccc32)CC1	ZINC000040266926	213286324	/nfs/dbraw/zinc/28/63/24/213286324.db2.gz	GCMZMACLZFMPRB-UHFFFAOYSA-N	-1	0	328.412	3.039	50	0		EGAARM
O=C([O-])c1cccc(Nc2ncnc3c2cnn3Cc2ccccc2)c1	ZINC000000486119	209630700	/nfs/dbraw/zinc/63/07/00/209630700.db2.gz	OWBZZYXFZFZKCF-UHFFFAOYSA-N	-1	0	345.362	3.316	50	0	biogenic	EGAARM
CCc1cccc(OC2CN(Cc3ccc(OC)c(C(=O)[O-])c3)C2)c1	ZINC000072131802	216021373	/nfs/dbraw/zinc/02/13/73/216021373.db2.gz	YYQCYBFVHXBDAR-UHFFFAOYSA-N	-1	0	341.407	3.219	50	0		EGAARM
O=C([O-])c1ccc(NC(=O)Cc2csc(-c3ccncc3)n2)cc1	ZINC000031948010	212769364	/nfs/dbraw/zinc/76/93/64/212769364.db2.gz	YHMHAYCYWDBQON-UHFFFAOYSA-N	-1	0	339.376	3.085	50	0		EGAARM
COc1c(F)cccc1C(=O)N1CC[C@@H](c2ccccc2C(=O)[O-])C1	ZINC000072158607	216048002	/nfs/dbraw/zinc/04/80/02/216048002.db2.gz	VDXSCIRIAYGFTC-GFCCVEGCSA-N	-1	0	343.354	3.162	50	0		EGAARM
O=C([O-])Cc1cc(Br)c(Br)c(F)c1F	ZINC000263624081	304088233	/nfs/dbraw/zinc/08/82/33/304088233.db2.gz	NFMIOZSOAQIRPZ-UHFFFAOYSA-N	-1	0	329.922	3.117	50	0		EGAARM
Cc1oc2cc(OCC(=O)[O-])ccc2c(=O)c1Oc1ccccc1	ZINC000000044210	209387158	/nfs/dbraw/zinc/38/71/58/209387158.db2.gz	AUDRNTPCTORBDI-UHFFFAOYSA-N	-1	0	326.304	3.357	50	0	biogenic	EGAARM
CC(C)(C)OC(=O)N[C@H](C(=O)[O-])c1ccccc1Br	ZINC000026423365	212519832	/nfs/dbraw/zinc/51/98/32/212519832.db2.gz	XAAGWHKTRALRLO-JTQLQIEISA-N	-1	0	330.178	3.100	50	0		EGAARM
CCOc1cc(CN2CCC(F)(F)CC2)ccc1O[C@H](C)C(=O)[O-]	ZINC000215700403	241140959	/nfs/dbraw/zinc/14/09/59/241140959.db2.gz	GOMOTYJCHUDNAJ-GFCCVEGCSA-N	-1	0	343.370	3.168	50	0		EGAARM
C[C@@H](Sc1nnc2n1c1ccccc1n2-c1ccccc1)C(=O)[O-]	ZINC000019737351	212059084	/nfs/dbraw/zinc/05/90/84/212059084.db2.gz	ZECZDCGZTWKZRB-LLVKDONJSA-N	-1	0	338.392	3.238	50	0		EGAARM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2	ZINC000012252096	211330264	/nfs/dbraw/zinc/33/02/64/211330264.db2.gz	ASEGORYQXCECTA-UHFFFAOYSA-N	-1	0	349.408	3.047	50	0		EGAARM
O=C([O-])[C@@H]1CN(C(=O)c2ccc3cc[nH]c3c2)C[C@H]1c1ccccc1	ZINC000091425565	218004209	/nfs/dbraw/zinc/00/42/09/218004209.db2.gz	FXYAQTTTWLNEDX-DLBZAZTESA-N	-1	0	334.375	3.108	50	0		EGAARM
O=C([O-])C1CCC(CNC(=O)CCn2ccc3ccc(F)cc32)CC1	ZINC000011866059	211261244	/nfs/dbraw/zinc/26/12/44/211261244.db2.gz	RKAOJFBSWBMDQJ-UHFFFAOYSA-N	-1	0	346.402	3.178	50	0		EGAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cc(C)[nH]n2)s1	ZINC000009686601	211113573	/nfs/dbraw/zinc/11/35/73/211113573.db2.gz	HQPUDSGEGUPPSY-UHFFFAOYSA-N	-1	0	349.437	3.256	50	0		EGAARM
COCc1[n-]n2c(nc(Cc3ccccc3)cc2=O)c1-c1ccccc1	ZINC000009044085	211033106	/nfs/dbraw/zinc/03/31/06/211033106.db2.gz	YCTILRQSGIXGCJ-UHFFFAOYSA-N	-1	0	345.402	3.427	50	0		EGAARM
Cc1ncsc1C(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1	ZINC000095380375	218312093	/nfs/dbraw/zinc/31/20/93/218312093.db2.gz	MQPJFMXMFMTHBJ-CQSZACIVSA-N	-1	0	330.409	3.170	50	0		EGAARM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(F)ccc1F	ZINC000008105049	210896364	/nfs/dbraw/zinc/89/63/64/210896364.db2.gz	JTHUWDUBLLDPQL-UHFFFAOYSA-N	-1	0	333.743	3.428	50	0		EGAARM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1CC	ZINC000004970435	210344137	/nfs/dbraw/zinc/34/41/37/210344137.db2.gz	PVMXKAOSHDQHQI-UHFFFAOYSA-N	-1	0	340.832	3.497	50	0		EGAARM
C[C@@H](c1ccccc1)[C@H]1CC(=O)N(c2cccc(C=CC(=O)[O-])c2)C1=O	ZINC000004860632	210304931	/nfs/dbraw/zinc/30/49/31/210304931.db2.gz	PYXOKILXRBHECR-LVDURTMUSA-N	-1	0	349.386	3.468	50	0		EGAARM
O=C([O-])c1cnn2c1N[C@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F	ZINC000000226841	304280257	/nfs/dbraw/zinc/28/02/57/304280257.db2.gz	XSJNLTMLNRRDMX-WDEREUQCSA-N	-1	0	329.253	3.381	50	0		EGAARM
CC(C)(C)OC(=O)N1CCC(Cc2ccccc2F)(C(=O)[O-])CC1	ZINC000035571453	278381684	/nfs/dbraw/zinc/38/16/84/278381684.db2.gz	JLBACSOTZZXNBB-UHFFFAOYSA-N	-1	0	337.391	3.470	50	0		EGAARM
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](C(=O)[O-])c1ccccc1O2	ZINC000051943397	278383337	/nfs/dbraw/zinc/38/33/37/278383337.db2.gz	KFYDPTLAMZWDGO-CQSZACIVSA-N	-1	0	347.411	3.407	50	0		EGAARM
CC(C)C[C@@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)[O-]	ZINC000017044631	278998550	/nfs/dbraw/zinc/99/85/50/278998550.db2.gz	WDHILXRWGHJHIY-HIFRSBDPSA-N	-1	0	347.415	3.328	50	0		EGAARM
CC1(C)[C@H](C(=O)Nc2nc3c(s2)CCCC3)CC[C@@]1(C)C(=O)[O-]	ZINC000003079635	281465674	/nfs/dbraw/zinc/46/56/74/281465674.db2.gz	RZKGSHKOELFAFT-BTDLBPIBSA-N	-1	0	336.457	3.488	50	0		EGAARM
COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)[O-])cc3N2)cc1	ZINC000000351355	295250233	/nfs/dbraw/zinc/25/02/33/295250233.db2.gz	OUGYIYVYHCQEET-PWSUYJOCSA-N	-1	0	341.289	3.250	50	0		EGAARM
COc1ccccc1[C@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)[O-])c2N1	ZINC000004827395	295414514	/nfs/dbraw/zinc/41/45/14/295414514.db2.gz	NRJIGCFSMOJIPE-ZYHUDNBSSA-N	-1	0	341.289	3.250	50	0		EGAARM
C[C@H]1CN(C(=O)c2ccccc2-c2ccccc2C(=O)[O-])C[C@H](C)O1	ZINC000018193229	300200263	/nfs/dbraw/zinc/20/02/63/300200263.db2.gz	IUZRMOWCCNQRTA-KBPBESRZSA-N	-1	0	339.391	3.301	50	0		EGAARM
Cc1nc2sc([C@H](c3ccco3)N3CCC[C@H](C)C3)c([O-])n2n1	ZINC000023158059	302685677	/nfs/dbraw/zinc/68/56/77/302685677.db2.gz	KWIQCYJOJHPILY-GWCFXTLKSA-N	-1	0	332.429	3.219	50	0		EGAARM
O=C([O-])C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCO1	ZINC000000036411	452494272	/nfs/dbraw/zinc/49/42/72/452494272.db2.gz	DEVKFZDTYBKBAG-CABZTGNLSA-N	-1	0	332.183	3.202	50	0		EGAARM
Cc1ccc(S(=O)(=O)n2cc(/C=C/C(=O)[O-])c3ccccc32)cc1	ZINC000000163362	452524554	/nfs/dbraw/zinc/52/45/54/452524554.db2.gz	XOIGITWGUHKORS-DHZHZOJOSA-N	-1	0	341.388	3.285	50	0		EGAARM
O=C([O-])CCCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1	ZINC000000367423	452572845	/nfs/dbraw/zinc/57/28/45/452572845.db2.gz	GFVWKBNPDPQJFQ-GFCCVEGCSA-N	-1	0	332.381	3.274	50	0		EGAARM
Cc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)ccc1Cl	ZINC000000575901	452628347	/nfs/dbraw/zinc/62/83/47/452628347.db2.gz	LQGRQWSEVFHAJP-UHFFFAOYSA-N	-1	0	325.773	3.147	50	0		EGAARM
CC(C)CC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)NC3=O)cc1	ZINC000000620935	452633857	/nfs/dbraw/zinc/63/38/57/452633857.db2.gz	QMRLGAVMJRMKMO-UHFFFAOYSA-N	-1	0	338.363	3.347	50	0		EGAARM
O=C([O-])[C@H]1CC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1	ZINC000000800636	452635855	/nfs/dbraw/zinc/63/58/55/452635855.db2.gz	JDYYPZBKFSPQOC-ZDUSSCGKSA-N	-1	0	345.782	3.357	50	0		EGAARM
CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1	ZINC000002389430	452695107	/nfs/dbraw/zinc/69/51/07/452695107.db2.gz	ZAMLGGRVTAXBHI-NSHDSACASA-N	-1	0	344.205	3.490	50	0		EGAARM
CCOC(=O)c1cc(C)sc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC000002759327	452721124	/nfs/dbraw/zinc/72/11/24/452721124.db2.gz	UBWCQYVHYWIVBZ-WDEREUQCSA-N	-1	0	339.413	3.063	50	0		EGAARM
CCc1nc2sc3c(c2c(SCC(=O)[O-])n1)CC(C)(C)OC3	ZINC000004898050	452825569	/nfs/dbraw/zinc/82/55/69/452825569.db2.gz	IVBQTVBFRDVSNM-UHFFFAOYSA-N	-1	0	338.454	3.282	50	0		EGAARM
COc1ccc(-c2oc3cc(OC)cc(=O)c-3c([O-])c2OC)cc1	ZINC000005733532	452899937	/nfs/dbraw/zinc/89/99/37/452899937.db2.gz	WSQWAMGRHJQANC-UHFFFAOYSA-N	-1	0	328.320	3.191	50	0	biogenic,in-vitro	EGAARM
O=C([O-])[C@H](CC(=O)NCc1ccccc1)Cc1ccc(Cl)cc1	ZINC000005773622	452901228	/nfs/dbraw/zinc/90/12/28/452901228.db2.gz	JZEZADGIPUEMSC-HNNXBMFYSA-N	-1	0	331.799	3.290	50	0		EGAARM
Cc1cc(C)cc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)c1	ZINC000014632484	453539424	/nfs/dbraw/zinc/53/94/24/453539424.db2.gz	VVMGGXXAZFVBSP-GJZGRUSLSA-N	-1	0	335.400	3.145	50	0		EGAARM
CC(C)OC(=O)c1ccsc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC000017071110	453628229	/nfs/dbraw/zinc/62/82/29/453628229.db2.gz	XIUMCHZIBTZQMA-GHMZBOCLSA-N	-1	0	339.413	3.143	50	0		EGAARM
O=C([O-])c1ccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)cc1	ZINC000018244026	453650314	/nfs/dbraw/zinc/65/03/14/453650314.db2.gz	UJAJOWHSJQVELS-KBAYOESNSA-N	-1	0	349.386	3.458	50	0		EGAARM
CCCCCCNC(C)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O	ZINC000020290940	453663698	/nfs/dbraw/zinc/66/36/98/453663698.db2.gz	PDCMEQSNHDUBDV-JQIJEIRASA-N	-1	0	343.427	3.022	50	0		EGAARM
Cc1cccc(-n2nc(-c3ccc4c(c3)OCCO4)cc2C(=O)[O-])c1	ZINC000025763105	453785068	/nfs/dbraw/zinc/78/50/68/453785068.db2.gz	SCFXZULYEBBXMP-UHFFFAOYSA-N	-1	0	336.347	3.317	50	0		EGAARM
CCCCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1	ZINC000032601683	453879282	/nfs/dbraw/zinc/87/92/82/453879282.db2.gz	NQYWFBSAPQKXHD-UHFFFAOYSA-N	-1	0	349.408	3.365	50	0		EGAARM
CC(C)CN1CCCc2ccc([N-]S(=O)(=O)C(F)(F)F)cc21	ZINC000071186531	454202743	/nfs/dbraw/zinc/20/27/43/454202743.db2.gz	ITBCQMHROXPFES-UHFFFAOYSA-N	-1	0	336.379	3.357	50	0		EGAARM
Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1[C@@H]1OC(=O)c2ccccc21	ZINC000100287280	454465084	/nfs/dbraw/zinc/46/50/84/454465084.db2.gz	JRMYHMGBFVARON-MRXNPFEDSA-N	-1	0	346.346	3.022	50	0		EGAARM
CCCC([O-])=C1C(=O)C[C@@H](c2ccccc2)[C@@H](c2cc(C)no2)C1=O	ZINC000248149754	455688241	/nfs/dbraw/zinc/68/82/41/455688241.db2.gz	GNWCSCDSDBRSKW-ZOCIIQOWSA-N	-1	0	339.391	3.378	50	0		EGAARM
Cc1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)[C@H](C)C4)cc1	ZINC000299738267	456778412	/nfs/dbraw/zinc/77/84/12/456778412.db2.gz	PAPGEKXNHAOISW-GFCCVEGCSA-N	-1	0	334.375	3.385	50	0		EGAARM
COc1cccc(CNc2ncnc3sc(C(=O)[O-])c(C)c32)c1	ZINC000299754886	456779446	/nfs/dbraw/zinc/77/94/46/456779446.db2.gz	BJIMGJUHYRSCMS-UHFFFAOYSA-N	-1	0	329.381	3.319	50	0		EGAARM
O=C([O-])CC[C@]12CCC(=O)N1c1ccccc1-c1nc3ccccc3n12	ZINC000521398800	459147734	/nfs/dbraw/zinc/14/77/34/459147734.db2.gz	CJZAAYVFTIJJDX-HXUWFJFHSA-N	-1	0	347.374	3.361	50	0		EGAARM
Cc1ccccc1CC(=O)N1CCC(c2nc(C(=O)[O-])cs2)CC1	ZINC000585134442	459828069	/nfs/dbraw/zinc/82/80/69/459828069.db2.gz	TYEKTFKNNWDMOF-UHFFFAOYSA-N	-1	0	344.436	3.098	50	0		EGAARM
CC1(C(=O)[O-])CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000306993281	547460661	/nfs/dbraw/zinc/46/06/61/547460661.db2.gz	YURGDOUBZIDRBV-UHFFFAOYSA-N	-1	0	337.375	3.342	50	0		EGAARM
O=C([O-])c1cnc(CN(Cc2c(F)cccc2Cl)C2CC2)cn1	ZINC001772710646	1441417255	/nfs/dbraw/zinc/41/72/55/1441417255.db2.gz	QVQJCRGZTWBFCQ-UHFFFAOYSA-N	-1	0	335.766	3.132	50	0		EGAARM
Cc1cccc(C)c1NC(=O)CSc1nc(=O)c2sccc2[n-]1	ZINC000051317193	214087396	/nfs/dbraw/zinc/08/73/96/214087396.db2.gz	OPLQLDSOEIRCKQ-UHFFFAOYSA-N	-1	0	345.449	3.332	50	0		EGAARM
CCc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1	ZINC000101167655	219118055	/nfs/dbraw/zinc/11/80/55/219118055.db2.gz	XXQKGXNBOAJTJZ-ROUUACIJSA-N	-1	0	348.406	3.051	50	0		EGAARM
CC(C)c1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)cc1	ZINC000101417292	219126643	/nfs/dbraw/zinc/12/66/43/219126643.db2.gz	KRFUMRWDJXJWDX-MSOLQXFVSA-N	-1	0	348.406	3.303	50	0		EGAARM
CCOc1ccc([C@H]2[C@H](C(=O)[O-])CC(=O)N2Cc2ccccc2)cc1	ZINC000004237887	210148317	/nfs/dbraw/zinc/14/83/17/210148317.db2.gz	QPBRKUMIIIZCPY-MJGOQNOKSA-N	-1	0	339.391	3.260	50	0		EGAARM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000004205295	210145127	/nfs/dbraw/zinc/14/51/27/210145127.db2.gz	CPOZZGCEUIQCFV-VQBCORBOSA-N	-1	0	327.424	3.015	50	0		EGAARM
COc1ccc(-c2csc3nc4[n-]nc(SC)n4c(=O)c23)cc1	ZINC000101659073	219152614	/nfs/dbraw/zinc/15/26/14/219152614.db2.gz	VBCLZALSNXTDJA-UHFFFAOYSA-N	-1	0	344.421	3.030	50	0		EGAARM
Cc1ccc(OCc2nc(-c3ccc(C(=O)[O-])cc3)no2)c(C)n1	ZINC000067472892	215150500	/nfs/dbraw/zinc/15/05/00/215150500.db2.gz	NKYYYKUIYCWENH-UHFFFAOYSA-N	-1	0	325.324	3.026	50	0		EGAARM
CC[C@H](OC)c1nnc(SCC(=O)[O-])n1-c1cccc(Cl)c1	ZINC000067542068	215159952	/nfs/dbraw/zinc/15/99/52/215159952.db2.gz	HMLSLYJLNBCJNI-NSHDSACASA-N	-1	0	341.820	3.195	50	0		EGAARM
CC[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1)n1nc(C)c(Cl)c1C	ZINC000002731467	209897435	/nfs/dbraw/zinc/89/74/35/209897435.db2.gz	UTFZCLYUSDOJRY-ZDUSSCGKSA-N	-1	0	335.791	3.441	50	0		EGAARM
CCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1[C@@H](C)CCC2	ZINC000002480390	209857009	/nfs/dbraw/zinc/85/70/09/209857009.db2.gz	FWWGCVKUHKDZAJ-VIFPVBQESA-N	-1	0	339.413	3.168	50	0		EGAARM
Cc1cccc(Oc2coc3cc(OCC(=O)[O-])ccc3c2=O)c1	ZINC000000064975	209397396	/nfs/dbraw/zinc/39/73/96/209397396.db2.gz	PQXZCDUYIBDSAV-UHFFFAOYSA-N	-1	0	326.304	3.357	50	0		EGAARM
O=C([O-])C1(Oc2cccc(F)c2)CCN(C(=O)c2cccs2)CC1	ZINC000072431686	216224583	/nfs/dbraw/zinc/22/45/83/216224583.db2.gz	PBTGQYSGEQYGEU-UHFFFAOYSA-N	-1	0	349.383	3.026	50	0		EGAARM
COc1ccc(CN(C)Cc2cc(C(C)(C)C)n[nH]2)cc1C(=O)[O-]	ZINC000215773953	241144234	/nfs/dbraw/zinc/14/42/34/241144234.db2.gz	ZKZXVSSGEYXEHI-UHFFFAOYSA-N	-1	0	331.416	3.046	50	0		EGAARM
Cc1cc(-c2ccc([C@H](C)N3CCOCC3)cc2)nc(C)c1C(=O)[O-]	ZINC000218031515	241292156	/nfs/dbraw/zinc/29/21/56/241292156.db2.gz	BHAIQHPPJVUSMR-HNNXBMFYSA-N	-1	0	340.423	3.457	50	0		EGAARM
CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC000244708256	243062927	/nfs/dbraw/zinc/06/29/27/243062927.db2.gz	KQFVPGMKSMLNOS-BFHYXJOUSA-N	-1	0	346.427	3.044	50	0		EGAARM
O=c1[nH]c(C[P@@](=O)([O-])CCc2ccccc2)nc2ccc(F)cc12	ZINC000020745822	212168427	/nfs/dbraw/zinc/16/84/27/212168427.db2.gz	PGQRALYDOJRXGY-UHFFFAOYSA-N	-1	0	346.298	3.075	50	0		EGAARM
CCCCN1C(=O)[N-]C(=O)C(=C(CC)NCCC2=CCCCC2)C1=O	ZINC000020330057	212119808	/nfs/dbraw/zinc/11/98/08/212119808.db2.gz	HBYUJLKCUUDNLH-NXVVXOECSA-N	-1	0	347.459	3.009	50	0		EGAARM
O=C([O-])[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)C2CCCC2)C1	ZINC000071388543	304163427	/nfs/dbraw/zinc/16/34/27/304163427.db2.gz	ZNEVKUYNVCMKLJ-LJQANCHMSA-N	-1	0	333.403	3.252	50	0		EGAARM
CC(C)Oc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccccc2)cc1	ZINC000012401643	211367939	/nfs/dbraw/zinc/36/79/39/211367939.db2.gz	GYWOTQOWVVWYIX-QGZVFWFLSA-N	-1	0	327.380	3.420	50	0		EGAARM
CCCCOc1cccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1	ZINC000011951784	211273713	/nfs/dbraw/zinc/27/37/13/211273713.db2.gz	RXTWKCULUQXSLW-SJORKVTESA-N	-1	0	333.428	3.373	50	0		EGAARM
O=C([O-])[C@@]1(CC2CC2)CCCN(C(=O)CCC(=O)c2ccccc2)C1	ZINC000091474917	218012481	/nfs/dbraw/zinc/01/24/81/218012481.db2.gz	IMLWEZHMCFWOCI-HXUWFJFHSA-N	-1	0	343.423	3.143	50	0		EGAARM
COc1ccc(-c2coc3cc([O-])cc(OC)c3c2=O)cc1OC	ZINC000011865244	211261757	/nfs/dbraw/zinc/26/17/57/211261757.db2.gz	RVBTZQMZDAESAA-UHFFFAOYSA-N	-1	0	328.320	3.191	50	0	biogenic	EGAARM
CC(C)=CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ncoc2C2CC2)C1	ZINC000091756893	218060272	/nfs/dbraw/zinc/06/02/72/218060272.db2.gz	LXGKAWBHGFMXER-SFHVURJKSA-N	-1	0	332.400	3.215	50	0		EGAARM
CCOc1ccc([N-]S(=O)(=O)c2cc(F)ccc2OC)cc1	ZINC000010301998	211161765	/nfs/dbraw/zinc/16/17/65/211161765.db2.gz	ZUNRJVZXMQKBMH-UHFFFAOYSA-N	-1	0	325.361	3.034	50	0		EGAARM
O=C([O-])c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2	ZINC000000054306	304229821	/nfs/dbraw/zinc/22/98/21/304229821.db2.gz	FOEPEPMBSAXCJM-MWLCHTKSSA-N	-1	0	329.253	3.381	50	0		EGAARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCCc2ccccc21	ZINC000005163920	210405217	/nfs/dbraw/zinc/40/52/17/210405217.db2.gz	JLGLGUCBRXVUCB-ROUUACIJSA-N	-1	0	338.407	3.059	50	0		EGAARM
COc1cc(OC)c(NC(=O)c2ccccc2C(=O)[O-])cc1Cl	ZINC000004829007	210290983	/nfs/dbraw/zinc/29/09/83/210290983.db2.gz	PSXXAACYUVPCOK-UHFFFAOYSA-N	-1	0	335.743	3.308	50	0		EGAARM
Cc1cc(C)c(OCC(=O)Nc2cc(O)ccc2C(=O)[O-])cc1C	ZINC000004824860	210289179	/nfs/dbraw/zinc/28/91/79/210289179.db2.gz	JIXWNGDRENWDEA-UHFFFAOYSA-N	-1	0	329.352	3.033	50	0		EGAARM
O=C([O-])c1cn(C2CCCCC2)cc2c(=O)n(-c3ccccc3)nc1-2	ZINC000101713135	304274485	/nfs/dbraw/zinc/27/44/85/304274485.db2.gz	KEWSFFVJHZKRBE-UHFFFAOYSA-N	-1	0	337.379	3.342	50	0		EGAARM
CN1c2ccccc2C([O-])=C(C(=S)Nc2ccccc2)S1(=O)=O	ZINC000100911044	290320661	/nfs/dbraw/zinc/32/06/61/290320661.db2.gz	AFYAZUJOYKGCKI-UHFFFAOYSA-N	-1	0	346.433	3.132	50	0		EGAARM
COc1ccc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])c(OC)c1	ZINC000017068562	295161407	/nfs/dbraw/zinc/16/14/07/295161407.db2.gz	HADMDGXVCQDGGK-KBPBESRZSA-N	-1	0	333.384	3.090	50	0		EGAARM
Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c1C	ZINC000003295570	301180738	/nfs/dbraw/zinc/18/07/38/301180738.db2.gz	GXRBZEBVKOIXDU-UHFFFAOYSA-N	-1	0	333.409	3.419	50	0		EGAARM
Cc1ccccc1-c1nc2ccc(Br)cc2c(=O)n1[O-]	ZINC000001382209	302074473	/nfs/dbraw/zinc/07/44/73/302074473.db2.gz	WUNVCZLOSPJGGR-UHFFFAOYSA-N	-1	0	331.169	3.372	50	0		EGAARM
Cc1nc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])cc2nc1C	ZINC000012372666	302663954	/nfs/dbraw/zinc/66/39/54/302663954.db2.gz	RJMREODRLBVJHL-UONOGXRCSA-N	-1	0	327.384	3.076	50	0		EGAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c1	ZINC000000141414	452520139	/nfs/dbraw/zinc/52/01/39/452520139.db2.gz	MJOYUPFFHHAXMW-UHFFFAOYSA-N	-1	0	341.816	3.466	50	0		EGAARM
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(Cc2ccncc2)cc1	ZINC000000256520	452548269	/nfs/dbraw/zinc/54/82/69/452548269.db2.gz	BWJTWLLUAUTZNI-QZTJIDSGSA-N	-1	0	336.391	3.278	50	0		EGAARM
CCOc1ccc(S(=O)(=O)[N-]c2cccnc2)c2ccccc12	ZINC000000260662	452549908	/nfs/dbraw/zinc/54/99/08/452549908.db2.gz	UBEYEHBUXIZPKU-UHFFFAOYSA-N	-1	0	328.393	3.434	50	0		EGAARM
COc1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c(OC)cc1Cl	ZINC000000282805	452554159	/nfs/dbraw/zinc/55/41/59/452554159.db2.gz	MNMSQUUMWMQITB-ZJUUUORDSA-N	-1	0	341.791	3.187	50	0		EGAARM
CCOc1ccc(S(=O)(=O)[N-]c2ccccn2)c2ccccc12	ZINC000000297231	452556453	/nfs/dbraw/zinc/55/64/53/452556453.db2.gz	KKKXQGGAGVKPPV-UHFFFAOYSA-N	-1	0	328.393	3.434	50	0	aggregator	EGAARM
COc1cc(OC)c([N-]S(=O)(=O)c2ccccc2)cc1Cl	ZINC000000363187	452572533	/nfs/dbraw/zinc/57/25/33/452572533.db2.gz	GOZDGKCIDBBTEN-UHFFFAOYSA-N	-1	0	327.789	3.158	50	0		EGAARM
COc1cc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)ccc1Cl	ZINC000001427081	452663535	/nfs/dbraw/zinc/66/35/35/452663535.db2.gz	KRRQIKOGMBIYCN-UHFFFAOYSA-N	-1	0	337.788	3.026	50	0		EGAARM
Cc1nc2sc3c(c2c2nc(CCC(=O)[O-])nn21)[C@@H](C)CCC3	ZINC000002350003	452694889	/nfs/dbraw/zinc/69/48/89/452694889.db2.gz	OVAOUFAJGXHYFW-QMMMGPOBSA-N	-1	0	330.413	3.104	50	0		EGAARM
CC(C)=C(NC(=O)c1ccccc1)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000002585164	452706675	/nfs/dbraw/zinc/70/66/75/452706675.db2.gz	BDQGFQDIZHQHHB-UHFFFAOYSA-N	-1	0	338.363	3.047	50	0		EGAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1cccc2cccnc21	ZINC000002745709	452717744	/nfs/dbraw/zinc/71/77/44/452717744.db2.gz	JSPKGGRGOFEARE-UHFFFAOYSA-N	-1	0	328.393	3.353	50	0		EGAARM
O=c1cc([O-])c2sc3nc(-c4ccc5c(c4)OCO5)ccc3c2[nH]1	ZINC000004945464	452827650	/nfs/dbraw/zinc/82/76/50/452827650.db2.gz	QVCMUDFQRHLUIP-UHFFFAOYSA-N	-1	0	338.344	3.239	50	0		EGAARM
O=C([O-])c1cc(S(=O)(=O)Nc2cccc3ccccc32)ccc1O	ZINC000005516171	452880379	/nfs/dbraw/zinc/88/03/79/452880379.db2.gz	STOYZLUYPSOEKB-UHFFFAOYSA-N	-1	0	343.360	3.044	50	0		EGAARM
COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C)n1	ZINC000008714944	453227141	/nfs/dbraw/zinc/22/71/41/453227141.db2.gz	ARNWXTJDJQUSTM-UHFFFAOYSA-N	-1	0	334.441	3.497	50	0		EGAARM
O=C1[N-]C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)N1	ZINC000014011264	453497525	/nfs/dbraw/zinc/49/75/25/453497525.db2.gz	OGBLTCFSEOZAMY-DHDCSXOGSA-N	-1	0	328.755	3.099	50	0		EGAARM
COc1cc(CNc2cccc(C(=O)[O-])c2C)cc(OC)c1OC	ZINC000016577408	453611937	/nfs/dbraw/zinc/61/19/37/453611937.db2.gz	PDGRYWIIZGOSPL-UHFFFAOYSA-N	-1	0	331.368	3.331	50	0		EGAARM
COc1cc(Cn2cc(CC(=O)[O-])c3ccccc32)cc(OC)c1	ZINC000026423473	453799600	/nfs/dbraw/zinc/79/96/00/453799600.db2.gz	RJWHWSGTGAGKHO-UHFFFAOYSA-N	-1	0	325.364	3.334	50	0		EGAARM
CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1	ZINC000044253067	454092850	/nfs/dbraw/zinc/09/28/50/454092850.db2.gz	DRXBJRRQHRXYMP-UHFFFAOYSA-N	-1	0	327.764	3.483	50	0		EGAARM
COc1ccc(Cl)cc1[N-]S(=O)(=O)CCOc1ccccc1	ZINC000070637738	454169934	/nfs/dbraw/zinc/16/99/34/454169934.db2.gz	MBYDBWXRAWLHTR-UHFFFAOYSA-N	-1	0	341.816	3.169	50	0		EGAARM
CCc1ccc([C@H]2CC(c3ccco3)=NN2C(=O)CCC(=O)[O-])cc1	ZINC000096118927	454287038	/nfs/dbraw/zinc/28/70/38/454287038.db2.gz	GVHLLPAHVPRCOO-MRXNPFEDSA-N	-1	0	340.379	3.385	50	0		EGAARM
Cc1cc(Br)c(S(=O)(=O)[N-]c2ccncc2)cc1C	ZINC000048044474	454433916	/nfs/dbraw/zinc/43/39/16/454433916.db2.gz	SHILCRXEBFECTM-UHFFFAOYSA-N	-1	0	341.230	3.262	50	0		EGAARM
C[N@H+](CC(=O)Nc1cccc(C(=O)[O-])c1)Cc1cccc2ncccc12	ZINC000252490703	455812400	/nfs/dbraw/zinc/81/24/00/455812400.db2.gz	KZGOYDRTSWYCKN-UHFFFAOYSA-N	-1	0	349.390	3.004	50	0		EGAARM
Cc1cccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)[C@@H](C)C4)c1	ZINC000299738287	456777904	/nfs/dbraw/zinc/77/79/04/456777904.db2.gz	QYFTZVPYUNAXEP-LBPRGKRZSA-N	-1	0	334.375	3.385	50	0		EGAARM
CCCOc1ccccc1CCNC(=O)c1ccccc1C(=O)[O-]	ZINC000426472715	457836245	/nfs/dbraw/zinc/83/62/45/457836245.db2.gz	IXNPRFOBPAEEIS-UHFFFAOYSA-N	-1	0	327.380	3.146	50	0		EGAARM
CCCn1c2ccccc2c([O-])c(C(=O)Nc2cc(C)ccn2)c1=O	ZINC000006493393	1291046663	/nfs/dbraw/zinc/04/66/63/1291046663.db2.gz	RBVGGHNIYVNCDB-UHFFFAOYSA-N	-1	0	337.379	3.073	50	0		EGAARM
O=C([O-])C1(CCOc2ccccc2)CCN(c2ncccc2F)CC1	ZINC000071763544	1292269069	/nfs/dbraw/zinc/26/90/69/1292269069.db2.gz	DWJKQRKHAYGMPE-UHFFFAOYSA-N	-1	0	344.386	3.361	50	0		EGAARM
CCCC[C@H](NC(=O)c1cc(O)cc(C(=O)[O-])c1)c1cccnc1	ZINC000822830896	1320127248	/nfs/dbraw/zinc/12/72/48/1320127248.db2.gz	FTOHVAUYGBTBDI-INIZCTEOSA-N	-1	0	328.368	3.147	50	0		EGAARM
Cc1cc(NC[C@H](CO)Cc2ccco2)nc(-c2ccccc2[O-])n1	ZINC001704338939	1416449053	/nfs/dbraw/zinc/44/90/53/1416449053.db2.gz	LDGUSHLYBKFWNQ-CQSZACIVSA-N	-1	0	339.395	3.014	50	0		EGAARM
O=C(NCCCSC1CCCCC1)c1ccccc1-c1nn[n-]n1	ZINC000097574943	1423635311	/nfs/dbraw/zinc/63/53/11/1423635311.db2.gz	YFQCBGTVTLYEFS-UHFFFAOYSA-N	-1	0	345.472	3.053	50	0		EGAARM
Brc1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1	ZINC000016285729	1424453999	/nfs/dbraw/zinc/45/39/99/1424453999.db2.gz	MPQRLKPDLLBCEB-UHFFFAOYSA-N	-1	0	331.173	3.208	50	0		EGAARM
O=C(Nc1cccc(-c2nn[n-]n2)c1)c1csc2c1CCCC2	ZINC000006726325	1424681139	/nfs/dbraw/zinc/68/11/39/1424681139.db2.gz	SBMIFOXYPMTYDW-UHFFFAOYSA-N	-1	0	325.397	3.059	50	0		EGAARM
O=C([O-])C1(Oc2ccccc2F)CCN(C(=O)[C@H]2CC=CCC2)CC1	ZINC000072432510	304034832	/nfs/dbraw/zinc/03/48/32/304034832.db2.gz	HVMNNZAOHRAWNT-AWEZNQCLSA-N	-1	0	347.386	3.007	50	0		EGAARM
CCn1nccc1-c1cc(C(=O)[O-])n2nc(C)c(-c3ccccc3)c2n1	ZINC000020605296	202049713	/nfs/dbraw/zinc/04/97/13/202049713.db2.gz	BLUMIGCRJDXPRN-UHFFFAOYSA-N	-1	0	347.378	3.286	50	0		EGAARM
CCOc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1C	ZINC000032601641	202228395	/nfs/dbraw/zinc/22/83/95/202228395.db2.gz	MRUKXQSWOOPIIA-UHFFFAOYSA-N	-1	0	349.408	3.201	50	0		EGAARM
O=C([O-])[C@H](NC(=O)CCn1ccc2ccc(F)cc21)c1ccccc1	ZINC000036358937	202322478	/nfs/dbraw/zinc/32/24/78/202322478.db2.gz	PDUQFQZNJTWBFU-GOSISDBHSA-N	-1	0	340.354	3.113	50	0		EGAARM
O=C([O-])c1ccc(COc2ccc3c4c(c(=O)oc3c2)CCC4)o1	ZINC000002110598	201359012	/nfs/dbraw/zinc/35/90/12/201359012.db2.gz	YDSZVOWSROECBP-UHFFFAOYSA-N	-1	0	326.304	3.152	50	0	biogenic	EGAARM
Cc1nc2sc([C@@H](c3cccs3)N3CCCCC3)c([O-])n2n1	ZINC000023158170	212356787	/nfs/dbraw/zinc/35/67/87/212356787.db2.gz	LWFPAKCWHMGRMG-GFCCVEGCSA-N	-1	0	334.470	3.442	50	0		EGAARM
COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)[O-])ccc23)cc1	ZINC000000486911	201480426	/nfs/dbraw/zinc/48/04/26/201480426.db2.gz	HXRDDBNOBBLTLY-UHFFFAOYSA-N	-1	0	340.331	3.240	50	0	biogenic	EGAARM
CC(C)(C)OC(=O)NC[C@@H](C(=O)[O-])c1ccc(Br)cc1	ZINC000221538386	241471198	/nfs/dbraw/zinc/47/11/98/241471198.db2.gz	DGFFEPBGLNMTQI-LLVKDONJSA-N	-1	0	344.205	3.142	50	0		EGAARM
O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000003135720	201557853	/nfs/dbraw/zinc/55/78/53/201557853.db2.gz	JTIRSISIFPGBKY-RKDXNWHRSA-N	-1	0	341.207	3.383	50	0		EGAARM
CCOC(=O)c1ccc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])cc1	ZINC000004818750	201620366	/nfs/dbraw/zinc/62/03/66/201620366.db2.gz	RCLVXILSHQBSON-HOTGVXAUSA-N	-1	0	345.395	3.249	50	0		EGAARM
O=C([O-])c1ccccc1CC(=O)Nc1nc(-c2ccncc2)cs1	ZINC000071287054	203091373	/nfs/dbraw/zinc/09/13/73/203091373.db2.gz	QEMGEZYLKWTRBM-UHFFFAOYSA-N	-1	0	339.376	3.085	50	0		EGAARM
Cc1cc(=O)c2cccc(-c3cc(NCC(=O)[O-])nc4[nH]ccc43)c2[nH]1	ZINC000072124090	203164674	/nfs/dbraw/zinc/16/46/74/203164674.db2.gz	KLNYWWSDBDCXKO-UHFFFAOYSA-N	-1	0	348.362	3.289	50	0		EGAARM
CCc1cnc(C)nc1N1CC[C@@H](Cc2cccc(C(=O)[O-])c2)C1	ZINC000072148646	203171031	/nfs/dbraw/zinc/17/10/31/203171031.db2.gz	XLGCYWSTQIETKX-HNNXBMFYSA-N	-1	0	325.412	3.115	50	0		EGAARM
O=C([O-])c1cccc(CC2CCN(c3ncnc4c3CCC4)CC2)c1	ZINC000072149869	203173092	/nfs/dbraw/zinc/17/30/92/203173092.db2.gz	JUXDUROBTLPRAG-UHFFFAOYSA-N	-1	0	337.423	3.123	50	0		EGAARM
O=c1[n-]c(CCn2ccnc2-c2cccc3c4ccccc4oc32)n[nH]1	ZINC000072173830	203182341	/nfs/dbraw/zinc/18/23/41/203182341.db2.gz	UCTFZLWAZNWLBP-UHFFFAOYSA-N	-1	0	345.362	3.104	50	0		EGAARM
Cc1cccc(OC2(C(=O)[O-])CCN(C(=O)[C@H]3CC34CCC4)CC2)c1	ZINC000072448462	203226502	/nfs/dbraw/zinc/22/65/02/203226502.db2.gz	XXJWWMKXFHXCDF-MRXNPFEDSA-N	-1	0	343.423	3.010	50	0		EGAARM
CC(=O)NCC1CCN(Cc2c(Cl)ccc([O-])c2Cl)CC1	ZINC000077408079	203387628	/nfs/dbraw/zinc/38/76/28/203387628.db2.gz	HJYWEGHXBCTEAO-UHFFFAOYSA-N	-1	0	331.243	3.047	50	0		EGAARM
Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1	ZINC000101260647	204004194	/nfs/dbraw/zinc/00/41/94/204004194.db2.gz	KKINEKKVDWWZJJ-LSDHHAIUSA-N	-1	0	340.770	3.146	50	0		EGAARM
CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000000479487	206236718	/nfs/dbraw/zinc/23/67/18/206236718.db2.gz	HWCXGOSOXDBVRY-ZDUSSCGKSA-N	-1	0	332.425	3.016	50	0		EGAARM
O=C([O-])c1cc(Br)c(Cl)c(Br)c1O	ZINC000097757465	304220835	/nfs/dbraw/zinc/22/08/35/304220835.db2.gz	CPDBOWUZALQWGM-UHFFFAOYSA-N	-1	0	330.359	3.269	50	0		EGAARM
O=C([O-])c1ccccc1[C@@H]1CCN(c2noc(-c3ccccc3)n2)C1	ZINC000072165105	304271525	/nfs/dbraw/zinc/27/15/25/304271525.db2.gz	OJPDFJKMUMQEDR-CQSZACIVSA-N	-1	0	335.363	3.429	50	0		EGAARM
O=C([O-])c1ccnc(-c2ccnc(COc3ccc(Cl)cc3)n2)c1	ZINC000071479721	304272901	/nfs/dbraw/zinc/27/29/01/304272901.db2.gz	UHBYXQHHUBGGDP-UHFFFAOYSA-N	-1	0	341.754	3.469	50	0		EGAARM
COC(=O)c1c(NC(=O)CCC(=O)[O-])sc(C)c1-c1ccccc1	ZINC000006184234	291995342	/nfs/dbraw/zinc/99/53/42/291995342.db2.gz	REOQWKCTCBCHBU-UHFFFAOYSA-N	-1	0	347.392	3.313	50	0		EGAARM
CC(C)c1[nH]nc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)c1-c1ccccc1	ZINC000071284072	280658891	/nfs/dbraw/zinc/65/88/91/280658891.db2.gz	KSGDCXOZMYSBPA-UONOGXRCSA-N	-1	0	341.411	3.495	50	0		EGAARM
COc1c2occc2c(OC)c(/C=C/C(=O)N2CCCCC2)c1O	ZINC000000058307	452496686	/nfs/dbraw/zinc/49/66/86/452496686.db2.gz	MAIHCYYFZCSSQD-VOTSOKGWSA-N	-1	0	331.368	3.181	50	0		EGAARM
O=C([O-])CSc1nnc(Cc2ccccc2)n1-c1ccccc1	ZINC000000239039	452544546	/nfs/dbraw/zinc/54/45/46/452544546.db2.gz	BJDMEMNVJVOBKL-UHFFFAOYSA-N	-1	0	325.393	3.035	50	0		EGAARM
O=C([O-])c1cnn2c1nc(-c1ccc(F)cc1)cc2C(F)(F)F	ZINC000000275879	452552804	/nfs/dbraw/zinc/55/28/04/452552804.db2.gz	HPHIECSLGTYDHH-UHFFFAOYSA-N	-1	0	325.221	3.252	50	0		EGAARM
CC[C@@]1(c2ccccc2)C(=O)[N-]C(=O)N(C(=O)c2ccccc2)C1=O	ZINC000000437559	452593296	/nfs/dbraw/zinc/59/32/96/452593296.db2.gz	QMOWPJIFTHVQMB-LJQANCHMSA-N	-1	0	336.347	3.094	50	0	in-man	EGAARM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C)cc1OC	ZINC000000618848	452632674	/nfs/dbraw/zinc/63/26/74/452632674.db2.gz	HKELGEQIBAZRHK-UHFFFAOYSA-N	-1	0	341.816	3.466	50	0		EGAARM
Cc1cccc(C(C)C)c1NC(=O)CSc1nnc(C)c(=O)[n-]1	ZINC000001282352	452650517	/nfs/dbraw/zinc/65/05/17/452650517.db2.gz	UWEZMNTZXZYCRO-UHFFFAOYSA-N	-1	0	332.429	3.048	50	0		EGAARM
O=C(c1ccccc1)c1ccc2cc(OS(=O)(=O)[O-])ccc2c1	ZINC000002168937	452687448	/nfs/dbraw/zinc/68/74/48/452687448.db2.gz	YJXPCRRZAIIINT-UHFFFAOYSA-N	-1	0	328.345	3.252	50	0		EGAARM
Cc1ccc(S(=O)(=O)[N-]c2cnn(Cc3cccc(C)c3)c2)cc1	ZINC000002791974	452724721	/nfs/dbraw/zinc/72/47/21/452724721.db2.gz	PVUPCVMONPEOSH-UHFFFAOYSA-N	-1	0	341.436	3.349	50	0		EGAARM
c1coc(-c2nnc([N-]c3nc4cc5c(cc4s3)OCO5)o2)c1	ZINC000004137830	452794677	/nfs/dbraw/zinc/79/46/77/452794677.db2.gz	KAOFLVNUEZTUPK-UHFFFAOYSA-N	-1	0	328.309	3.412	50	0		EGAARM
Cc1c(Cl)cccc1NC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000005051129	452834513	/nfs/dbraw/zinc/83/45/13/452834513.db2.gz	GYPVDZPBUNTHTJ-UHFFFAOYSA-N	-1	0	338.816	3.272	50	0		EGAARM
CCOc1cc(/C=C\[N+](=O)[O-])ccc1OCc1ccc(C(=O)[O-])o1	ZINC000005068397	452835387	/nfs/dbraw/zinc/83/53/87/452835387.db2.gz	BEKJXBJKCVOPLD-FPLPWBNLSA-N	-1	0	333.296	3.203	50	0		EGAARM
CCOc1ccc(Cc2nnc(Nc3cccc(F)c3)[n-]c2=O)cc1	ZINC000005154322	452839847	/nfs/dbraw/zinc/83/98/47/452839847.db2.gz	ROHFXQFZTXCYPG-UHFFFAOYSA-N	-1	0	340.358	3.037	50	0		EGAARM
Cc1cccc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)n1	ZINC000005884105	452907344	/nfs/dbraw/zinc/90/73/44/452907344.db2.gz	APZDONADRLTHHU-UHFFFAOYSA-N	-1	0	341.230	3.262	50	0		EGAARM
Cc1[n-]n(-c2ccccc2)c(=O)c1CCOC(=O)c1ccc(C)cc1	ZINC000008672138	453220596	/nfs/dbraw/zinc/22/05/96/453220596.db2.gz	PNRJHSVXGVENLZ-UHFFFAOYSA-N	-1	0	336.391	3.182	50	0		EGAARM
CC(C)C(=O)Nc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1	ZINC000009230402	453247164	/nfs/dbraw/zinc/24/71/64/453247164.db2.gz	ULMHFNHMRRCWDM-UHFFFAOYSA-N	-1	0	326.352	3.232	50	0		EGAARM
COc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1SC	ZINC000010302068	453284370	/nfs/dbraw/zinc/28/43/70/453284370.db2.gz	XHOYFIJQSGWVPD-UHFFFAOYSA-N	-1	0	327.402	3.357	50	0		EGAARM
Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)NCC(=O)[O-]	ZINC000012321362	453354989	/nfs/dbraw/zinc/35/49/89/453354989.db2.gz	HZKPURWCDXQKNF-UHFFFAOYSA-N	-1	0	345.207	3.240	50	0		EGAARM
CC(C)Oc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)[O-])cc1	ZINC000012654934	453387734	/nfs/dbraw/zinc/38/77/34/453387734.db2.gz	QAFWGGFZRDQCIV-ATVHPVEESA-N	-1	0	325.364	3.329	50	0		EGAARM
CSc1ccc(Cl)c(C(=O)Nc2nc(CC(=O)[O-])cs2)c1	ZINC000013406160	453462884	/nfs/dbraw/zinc/46/28/84/453462884.db2.gz	GGDLKMAKIHYVMK-UHFFFAOYSA-N	-1	0	342.829	3.398	50	0		EGAARM
Cc1ccc(C(=O)[O-])cc1NC(=S)Nc1ccc2c(c1)OCO2	ZINC000017067673	453627389	/nfs/dbraw/zinc/62/73/89/453627389.db2.gz	VWHZCVWPMXZLMQ-UHFFFAOYSA-N	-1	0	330.365	3.231	50	0		EGAARM
COc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCCC(=O)[O-])cc1	ZINC000072220548	454275510	/nfs/dbraw/zinc/27/55/10/454275510.db2.gz	LOKSTEQVYSTBLA-GOSISDBHSA-N	-1	0	340.379	3.127	50	0		EGAARM
O=S(=O)(CCOc1ccccc1F)[N-]c1cccc2cccnc21	ZINC000096191827	454300864	/nfs/dbraw/zinc/30/08/64/454300864.db2.gz	GITVBMXRCHOVKD-UHFFFAOYSA-N	-1	0	346.383	3.195	50	0		EGAARM
COCCC[C@@]1(C(=O)[O-])CCCN(c2ccc(C(F)(F)F)cn2)C1	ZINC000091320460	454427281	/nfs/dbraw/zinc/42/72/81/454427281.db2.gz	BWJATUQIORBXJH-HNNXBMFYSA-N	-1	0	346.349	3.198	50	0		EGAARM
COc1ccc(C2(CC(=O)[O-])CCN(C(=O)OC(C)(C)C)CC2)cc1	ZINC000097463418	454437969	/nfs/dbraw/zinc/43/79/69/454437969.db2.gz	ZWDLFYQGUGHHNH-UHFFFAOYSA-N	-1	0	349.427	3.439	50	0		EGAARM
Cc1nc(-c2cccc(F)c2)sc1C(=O)N1CCC(C(=O)[O-])CC1	ZINC000049548409	454551287	/nfs/dbraw/zinc/55/12/87/454551287.db2.gz	PINUKUQHDZQXDD-UHFFFAOYSA-N	-1	0	348.399	3.194	50	0		EGAARM
O=C(c1ccccc1)c1ccc2c(c1[O-])[C@H](c1cccnc1)CC(=O)O2	ZINC000253411578	455841312	/nfs/dbraw/zinc/84/13/12/455841312.db2.gz	OUOBDXQXYLDDPF-INIZCTEOSA-N	-1	0	345.354	3.459	50	0	biogenic	EGAARM
COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1cccc(C)n1	ZINC000041096182	472044309	/nfs/dbraw/zinc/04/43/09/472044309.db2.gz	DQUMEDZXXSQTLA-UHFFFAOYSA-N	-1	0	326.805	3.161	50	0		EGAARM
Cc1ccc(-c2nnc(NCCc3c[nH]c4ccccc34)[n-]c2=O)cc1	ZINC000004818281	525851087	/nfs/dbraw/zinc/85/10/87/525851087.db2.gz	INQIFVSHZBWUHY-UHFFFAOYSA-N	-1	0	345.406	3.276	50	0		EGAARM
O=C([O-])c1cnc(NCc2ccncc2)nc1-c1cc(F)cc(F)c1	ZINC000169751249	1294370332	/nfs/dbraw/zinc/37/03/32/1294370332.db2.gz	SHVUJSRZDPWVMX-UHFFFAOYSA-N	-1	0	342.305	3.127	50	0		EGAARM
C[C@H]1CCC(=O)N1c1ccc(NC(=O)c2cccc(C(=O)[O-])c2)cc1	ZINC000952972148	1334627923	/nfs/dbraw/zinc/62/79/23/1334627923.db2.gz	FJSJTKSMZRORPG-LBPRGKRZSA-N	-1	0	338.363	3.152	50	0		EGAARM
CC[C@H](CNc1noc(-c2ccc(F)c(OC)c2)c1C(=O)[O-])OC	ZINC001704354634	1416453773	/nfs/dbraw/zinc/45/37/73/1416453773.db2.gz	HQWWEUGUNRRULG-SNVBAGLBSA-N	-1	0	338.335	3.024	50	0		EGAARM
C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccccc2-c2nn[n-]n2)C1	ZINC000091440605	1423453552	/nfs/dbraw/zinc/45/35/52/1423453552.db2.gz	HWQXAQMIUCOWQV-HXUWFJFHSA-N	-1	0	347.422	3.061	50	0		EGAARM
Cc1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)c2ccc(F)cc2n1	ZINC000065507416	1423465790	/nfs/dbraw/zinc/46/57/90/1423465790.db2.gz	ODDIWENLRBSMLZ-UHFFFAOYSA-N	-1	0	348.341	3.115	50	0		EGAARM
CC(C)Oc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccs2)cc1	ZINC000004581136	210226841	/nfs/dbraw/zinc/22/68/41/210226841.db2.gz	NYMZFPDZZXTKLD-AWEZNQCLSA-N	-1	0	333.409	3.481	50	0		EGAARM
CCCCNC(=O)c1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1	ZINC000012403804	201844414	/nfs/dbraw/zinc/84/44/14/201844414.db2.gz	LTUBGWQAQCANFE-HOTGVXAUSA-N	-1	0	346.427	3.046	50	0		EGAARM
O=C(Nc1ccc(F)cc1)c1c([O-])c2cccc3c2n(c1=O)CCC3	ZINC000001299093	304002317	/nfs/dbraw/zinc/00/23/17/304002317.db2.gz	GBYDMABOETWSSP-UHFFFAOYSA-N	-1	0	338.338	3.045	50	0		EGAARM
O=C([O-])CCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccccc1Cl	ZINC000000551609	304045049	/nfs/dbraw/zinc/04/50/49/304045049.db2.gz	QSBBEKYUAWGQSU-AWEZNQCLSA-N	-1	0	346.770	3.476	50	0		EGAARM
COc1cc2c(cc1OC)-c1c(c(C(=O)[O-])nn1-c1ccccc1)C2	ZINC000032123955	212790686	/nfs/dbraw/zinc/79/06/86/212790686.db2.gz	RXUPYSBKYUAPKX-UHFFFAOYSA-N	-1	0	336.347	3.159	50	0	biogenic	EGAARM
Cc1nc(-c2cccc(NC(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)c2)cs1	ZINC000071284151	202343651	/nfs/dbraw/zinc/34/36/51/202343651.db2.gz	SCGWAARBKYNXQJ-KGLIPLIRSA-N	-1	0	330.409	3.414	50	0		EGAARM
O=C(Cn1ccc2c1cccc2Cl)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000245247559	201152328	/nfs/dbraw/zinc/15/23/28/201152328.db2.gz	VZPQSIGWUVSLSA-JOCQHMNTSA-N	-1	0	348.830	3.302	50	0		EGAARM
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N1CCC(Cc2ccccc2)CC1	ZINC000000214461	201358287	/nfs/dbraw/zinc/35/82/87/201358287.db2.gz	ROMRGVRAGUOOTR-MSOLQXFVSA-N	-1	0	327.424	3.135	50	0		EGAARM
CC(C)(C)OC(=O)N1CCC[C@@H](COc2ccc(C(=O)[O-])cc2)C1	ZINC000047218840	202579191	/nfs/dbraw/zinc/57/91/91/202579191.db2.gz	OXAINLRKRAAVQO-CYBMUJFWSA-N	-1	0	335.400	3.411	50	0		EGAARM
O=C([O-])[C@@H](NC(=O)c1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2	ZINC000004031805	201586728	/nfs/dbraw/zinc/58/67/28/201586728.db2.gz	YUFSHYRSVIKQNJ-FVTZREDMSA-N	-1	0	331.387	3.225	50	0		EGAARM
COCCNc1cc(-c2cccc(C(=O)[O-])c2C)c2cc[nH]c2n1	ZINC000072419765	203218724	/nfs/dbraw/zinc/21/87/24/203218724.db2.gz	HPEGYENDKYBSGN-UHFFFAOYSA-N	-1	0	325.368	3.295	50	0		EGAARM
CCOC(=O)c1sc(-n2[n-]c(-c3ccccc3)cc2=O)nc1C	ZINC000102071781	204032424	/nfs/dbraw/zinc/03/24/24/204032424.db2.gz	FJCQNUHUGIVALC-UHFFFAOYSA-N	-1	0	329.381	3.187	50	0		EGAARM
Cc1cc2nnn(CCCOc3ccc(C(=O)[O-])cc3)c2cc1C	ZINC000041582587	204047218	/nfs/dbraw/zinc/04/72/18/204047218.db2.gz	OOWPEPJQGVSKIN-UHFFFAOYSA-N	-1	0	325.368	3.215	50	0		EGAARM
CC(C)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1	ZINC000000078898	206210816	/nfs/dbraw/zinc/21/08/16/206210816.db2.gz	DBSRXZMTMQLHQG-QGZVFWFLSA-N	-1	0	347.436	3.304	50	0		EGAARM
COc1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c(OC)cc1Cl	ZINC000000282802	206224484	/nfs/dbraw/zinc/22/44/84/206224484.db2.gz	MNMSQUUMWMQITB-NXEZZACHSA-N	-1	0	341.791	3.187	50	0		EGAARM
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Br)cc1F	ZINC000000474117	206241400	/nfs/dbraw/zinc/24/14/00/206241400.db2.gz	TVJRALFTRVPIBO-NXEZZACHSA-N	-1	0	344.180	3.418	50	0		EGAARM
O=C([O-])c1cc(NC(=S)NC(=O)c2ccccc2)ccc1Cl	ZINC000005998889	206325216	/nfs/dbraw/zinc/32/52/16/206325216.db2.gz	KCLFUUZRYPXRLE-UHFFFAOYSA-N	-1	0	334.784	3.165	50	0		EGAARM
CSCC[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[O-]	ZINC000002411119	206382469	/nfs/dbraw/zinc/38/24/69/206382469.db2.gz	FWSPNYWCLPKZOD-JTQLQIEISA-N	-1	0	337.228	3.321	50	0		EGAARM
CC(C)N(C(=O)c1ccccc1-c1cncc(C(=O)[O-])n1)C(C)C	ZINC000215215051	279315712	/nfs/dbraw/zinc/31/57/12/279315712.db2.gz	KVXRXUPRVHFADG-UHFFFAOYSA-N	-1	0	327.384	3.101	50	0		EGAARM
COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)[O-])cc3N2)cc1	ZINC000004294536	295226781	/nfs/dbraw/zinc/22/67/81/295226781.db2.gz	OUGYIYVYHCQEET-CMPLNLGQSA-N	-1	0	341.289	3.250	50	0		EGAARM
Cc1cc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccsc2)CC(=O)N3)no1	ZINC000061719797	301034944	/nfs/dbraw/zinc/03/49/44/301034944.db2.gz	ZFBOJPHUGYDIHP-JTQLQIEISA-N	-1	0	343.364	3.008	50	0		EGAARM
Cc1ccccc1NC(=O)c1c([O-])c2cccc3c2n(c1=O)[C@H](C)C3	ZINC000299738250	302106019	/nfs/dbraw/zinc/10/60/19/302106019.db2.gz	MXFIRERFRCEDLS-GFCCVEGCSA-N	-1	0	334.375	3.385	50	0		EGAARM
Nc1c(C(=O)c2ccccc2)sc2sc3c([nH]c(=O)cc3[O-])c12	ZINC000036559133	303492007	/nfs/dbraw/zinc/49/20/07/303492007.db2.gz	XGZIINYVFHPNMO-UHFFFAOYSA-N	-1	0	342.401	3.323	50	0		EGAARM
O=c1nc[n-]c2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3	ZINC000018086360	304814742	/nfs/dbraw/zinc/81/47/42/304814742.db2.gz	BZBQUTGZJCAICB-UHFFFAOYSA-N	-1	0	340.452	3.402	50	0		EGAARM
CCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(F)cc2)cc1	ZINC000000116256	452511908	/nfs/dbraw/zinc/51/19/08/452511908.db2.gz	SZJQDUPPRYXDFZ-INIZCTEOSA-N	-1	0	331.343	3.170	50	0		EGAARM
COc1ccc(Oc2coc3cc(OCC(=O)[O-])ccc3c2=O)cc1	ZINC000000120943	452513962	/nfs/dbraw/zinc/51/39/62/452513962.db2.gz	XLYKDLBSXBWYKC-UHFFFAOYSA-N	-1	0	342.303	3.057	50	0	biogenic	EGAARM
COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccccc2Cl)cc1	ZINC000000203409	452535835	/nfs/dbraw/zinc/53/58/35/452535835.db2.gz	JZWKNJGQHHQXME-OAHLLOKOSA-N	-1	0	333.771	3.294	50	0		EGAARM
CCc1cc2c(ncnc2N[C@@H](Cc2ccccc2)C(=O)[O-])s1	ZINC000000250164	452545573	/nfs/dbraw/zinc/54/55/73/452545573.db2.gz	JKCVGZRZNDGRMG-AWEZNQCLSA-N	-1	0	327.409	3.362	50	0		EGAARM
O=S(=O)([N-]c1nnc(Cc2ccccc2)s1)c1ccc(F)cc1	ZINC000000412269	452581174	/nfs/dbraw/zinc/58/11/74/452581174.db2.gz	COWBCYSYUPRTFS-UHFFFAOYSA-N	-1	0	349.412	3.069	50	0		EGAARM
O=C([O-])c1ccccc1N[C@H]1SC(=O)N(c2ccccc2)C1=O	ZINC000001232439	452648793	/nfs/dbraw/zinc/64/87/93/452648793.db2.gz	NKAPDFVOPLTJOG-ZDUSSCGKSA-N	-1	0	328.349	3.023	50	0		EGAARM
CSCC[C@H](Nc1ncnc2sc3c(c21)CCCC3)C(=O)[O-]	ZINC000001801968	452679182	/nfs/dbraw/zinc/67/91/82/452679182.db2.gz	SCVGTVXPYUKBDJ-JTQLQIEISA-N	-1	0	337.470	3.188	50	0		EGAARM
O=C([O-])c1cccnc1Sc1ncnc2sc3c(c21)CCC3	ZINC000003260990	452754500	/nfs/dbraw/zinc/75/45/00/452754500.db2.gz	SUTUUAVFYZIJSH-UHFFFAOYSA-N	-1	0	329.406	3.424	50	0		EGAARM
Cc1ccccc1OCC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1	ZINC000003626957	452786494	/nfs/dbraw/zinc/78/64/94/452786494.db2.gz	QAVLHBHUZOXEJH-HNNXBMFYSA-N	-1	0	347.798	3.359	50	0		EGAARM
O=C([O-])c1ccccc1NC(=S)NC(=O)c1ccccc1Cl	ZINC000004674744	452813407	/nfs/dbraw/zinc/81/34/07/452813407.db2.gz	UXFYHSKZRCQHIX-UHFFFAOYSA-N	-1	0	334.784	3.165	50	0		EGAARM
O=C([O-])/C(=C\c1ccccc1)NC(=O)c1ccc(Br)cc1	ZINC000004836912	452821420	/nfs/dbraw/zinc/82/14/20/452821420.db2.gz	IVYFPQJIEKTYRF-GXDHUFHOSA-N	-1	0	346.180	3.305	50	0		EGAARM
CC[C@H](C(=O)Nc1ccc(OC(C)=O)cc1C(=O)[O-])c1ccccc1	ZINC000004841859	452822437	/nfs/dbraw/zinc/82/24/37/452822437.db2.gz	BUWHXZJFLBJMFP-HNNXBMFYSA-N	-1	0	341.363	3.442	50	0		EGAARM
CC[C@@H](C)[C@@H](NC(=O)Nc1cccc(Br)c1)C(=O)[O-]	ZINC000006357786	452938544	/nfs/dbraw/zinc/93/85/44/452938544.db2.gz	WIMLANPAAGLPOG-LDYMZIIASA-N	-1	0	329.194	3.070	50	0		EGAARM
Cc1ccc2c([O-])c(C(=O)c3ccc(Br)cc3)cnc2n1	ZINC000009268240	453249186	/nfs/dbraw/zinc/24/91/86/453249186.db2.gz	LCNSFWNYIURKRM-UHFFFAOYSA-N	-1	0	343.180	3.225	50	0		EGAARM
CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000010684191	453299069	/nfs/dbraw/zinc/29/90/69/453299069.db2.gz	KQFVPGMKSMLNOS-MJBXVCDLSA-N	-1	0	346.427	3.044	50	0		EGAARM
CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccccc2)cc1OC	ZINC000012412054	453361612	/nfs/dbraw/zinc/36/16/12/453361612.db2.gz	HCIMYEKZXJYIRH-OAHLLOKOSA-N	-1	0	343.379	3.040	50	0		EGAARM
Cc1nc2sc([C@H](c3ccco3)N3C[C@H](C)C[C@@H](C)C3)c([O-])n2n1	ZINC000023158086	453705788	/nfs/dbraw/zinc/70/57/88/453705788.db2.gz	KNNOMGOJHQKQJB-GYSYKLTISA-N	-1	0	346.456	3.465	50	0		EGAARM
O=S(=O)([N-]c1ccc(Br)cn1)c1ccccc1Cl	ZINC000068038600	453990509	/nfs/dbraw/zinc/99/05/09/453990509.db2.gz	FVDSUXAHNGAJRI-UHFFFAOYSA-N	-1	0	347.621	3.298	50	0		EGAARM
CN(Cc1ccon1)[C@@H](C(=O)[O-])c1cc(F)cc(C(F)(F)F)c1	ZINC000095361057	454197704	/nfs/dbraw/zinc/19/77/04/454197704.db2.gz	DYSABGVRNMODNJ-GFCCVEGCSA-N	-1	0	332.253	3.090	50	0		EGAARM
Cn1cc(Cl)cc1C(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1	ZINC000095376947	454198943	/nfs/dbraw/zinc/19/89/43/454198943.db2.gz	YWCLXDHCCDSYNU-CQSZACIVSA-N	-1	0	346.814	3.397	50	0		EGAARM
COCc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)o1	ZINC000095386026	454200013	/nfs/dbraw/zinc/20/00/13/454200013.db2.gz	YZEJSBILYMJBEP-HNNXBMFYSA-N	-1	0	343.379	3.144	50	0		EGAARM
Cc1[nH]c2c(cccc2F)c1CC(=O)N[C@@H](CC(=O)[O-])c1ccco1	ZINC000095519885	454226787	/nfs/dbraw/zinc/22/67/87/454226787.db2.gz	VMLOBAPGOPPTRB-AWEZNQCLSA-N	-1	0	344.342	3.083	50	0		EGAARM
COc1ccc(F)cc1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)[O-]	ZINC000072233773	454276849	/nfs/dbraw/zinc/27/68/49/454276849.db2.gz	ODOZJSJHKUMCJK-SMDDNHRTSA-N	-1	0	339.363	3.012	50	0		EGAARM
COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(Cl)cc2)C1	ZINC000091635673	454454824	/nfs/dbraw/zinc/45/48/24/454454824.db2.gz	FWKMUUTXBQMSFZ-KRWDZBQOSA-N	-1	0	339.819	3.074	50	0		EGAARM
CSCc1ccc(C(=O)N2CCC[C@@](CC3CC3)(C(=O)[O-])C2)o1	ZINC000091663985	454454911	/nfs/dbraw/zinc/45/49/11/454454911.db2.gz	ADBMDSGILBPXOG-KRWDZBQOSA-N	-1	0	337.441	3.250	50	0		EGAARM
CC(C)=CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ncoc2C2CC2)C1	ZINC000091756890	454466507	/nfs/dbraw/zinc/46/65/07/454466507.db2.gz	LXGKAWBHGFMXER-GOSISDBHSA-N	-1	0	332.400	3.215	50	0		EGAARM
Cc1ccccc1[C@@H]1CN(C(=O)c2ccc3[nH]ccc3c2)C[C@H]1C(=O)[O-]	ZINC000091907151	454488847	/nfs/dbraw/zinc/48/88/47/454488847.db2.gz	LGCGNSBDXRBFHX-ZWKOTPCHSA-N	-1	0	348.402	3.417	50	0		EGAARM
CC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(-c2ccccc2OC)cc1	ZINC000426403818	457822570	/nfs/dbraw/zinc/82/25/70/457822570.db2.gz	WENPJHLVLAOXDM-MRXNPFEDSA-N	-1	0	327.380	3.297	50	0		EGAARM
O=C1OC2(CCCCC2)OC([O-])=C1c1c(F)c(F)nc(F)c1F	ZINC000526058557	459542618	/nfs/dbraw/zinc/54/26/18/459542618.db2.gz	WBZZREYOESKRJR-UHFFFAOYSA-N	-1	0	333.237	3.098	50	0		EGAARM
C[C@@H](Cc1ccoc1)NS(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000206664314	564006054	/nfs/dbraw/zinc/00/60/54/564006054.db2.gz	UXCHEFSLGOBKFA-VIFPVBQESA-N	-1	0	334.224	3.496	50	0		EGAARM
Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)[O-]	ZINC000004277332	210159455	/nfs/dbraw/zinc/15/94/55/210159455.db2.gz	XDKKXEMKXSGKOR-UHFFFAOYSA-N	-1	0	326.418	3.264	50	0		EGAARM
Cc1c(Cl)cccc1Nc1nc(=O)c(Cc2ccccc2)n[n-]1	ZINC000008742587	201759119	/nfs/dbraw/zinc/75/91/19/201759119.db2.gz	JKWYZKAHMUBXLN-UHFFFAOYSA-N	-1	0	326.787	3.461	50	0		EGAARM
CCc1ccc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)cc1	ZINC000014632510	201939271	/nfs/dbraw/zinc/93/92/71/201939271.db2.gz	BFZRTUCQJZGPFF-GJZGRUSLSA-N	-1	0	335.400	3.090	50	0		EGAARM
Cc1ccc(C)c(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)c1	ZINC000014632466	201939368	/nfs/dbraw/zinc/93/93/68/201939368.db2.gz	ITAOMBAMIZRHIR-KBPBESRZSA-N	-1	0	335.400	3.145	50	0		EGAARM
O=C([O-])Cc1c(F)cc(F)c(Br)c1Br	ZINC000263623767	304087919	/nfs/dbraw/zinc/08/79/19/304087919.db2.gz	KOMQDFTTWANZOR-UHFFFAOYSA-N	-1	0	329.922	3.117	50	0		EGAARM
COc1ccc(-c2noc(-c3c[n-]c4ccc(F)cc4c3=O)n2)cc1	ZINC000075352736	202380943	/nfs/dbraw/zinc/38/09/43/202380943.db2.gz	STTYOIHSKSIGDP-UHFFFAOYSA-N	-1	0	337.310	3.393	50	0		EGAARM
COc1ccc(-c2c(C)oc3cc(OCC(=O)[O-])ccc3c2=O)cc1	ZINC000011865304	201362601	/nfs/dbraw/zinc/36/26/01/201362601.db2.gz	RQLBJSJTIGFVRE-UHFFFAOYSA-N	-1	0	340.331	3.240	50	0	biogenic	EGAARM
Cc1ccc(-n2nnnc2SCc2ccc(C(=O)[O-])cc2)cc1C	ZINC000000107545	201434939	/nfs/dbraw/zinc/43/49/39/201434939.db2.gz	PUXNRYAASFLXJO-UHFFFAOYSA-N	-1	0	340.408	3.270	50	0		EGAARM
O=C([O-])c1cccc(N[C@@H]2SC(=O)N(c3ccccc3)C2=O)c1	ZINC000001317935	201502556	/nfs/dbraw/zinc/50/25/56/201502556.db2.gz	ZBIOTCIFPWNUEY-CYBMUJFWSA-N	-1	0	328.349	3.023	50	0		EGAARM
O=C([O-])c1cccc(NC(=O)Cc2ccc(Br)cc2)c1	ZINC000006701542	201691414	/nfs/dbraw/zinc/69/14/14/201691414.db2.gz	UBLREUAUMUDFTP-UHFFFAOYSA-N	-1	0	334.169	3.329	50	0		EGAARM
O=C([O-])[C@]1(Cc2cccc(Cl)c2)CCCN(c2ncccn2)C1	ZINC000071416008	203094868	/nfs/dbraw/zinc/09/48/68/203094868.db2.gz	ULXPSNOJMKKQPV-KRWDZBQOSA-N	-1	0	331.803	3.044	50	0		EGAARM
Cc1ccc(F)c(OC2(C(=O)[O-])CCN(C(=O)C3CCCC3)CC2)c1	ZINC000072476728	203231569	/nfs/dbraw/zinc/23/15/69/203231569.db2.gz	DZDZBTTWYCCLCF-UHFFFAOYSA-N	-1	0	349.402	3.149	50	0		EGAARM
O=C([O-])C1(Oc2ccc(F)cc2)CCN(C(=O)c2ccsc2)CC1	ZINC000072438474	203224386	/nfs/dbraw/zinc/22/43/86/203224386.db2.gz	RFYCTSNFTPLJLR-UHFFFAOYSA-N	-1	0	349.383	3.026	50	0		EGAARM
CCn1nc(C(C)C)cc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1	ZINC000095516339	203753287	/nfs/dbraw/zinc/75/32/87/203753287.db2.gz	BCODGQFSXLYGTJ-HNNXBMFYSA-N	-1	0	347.390	3.111	50	0		EGAARM
Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(C)c(C)c4)c=3c2=O)c1	ZINC000101261265	204003232	/nfs/dbraw/zinc/00/32/32/204003232.db2.gz	JXCOJGZDNDGPNS-ZWKOTPCHSA-N	-1	0	348.406	3.418	50	0		EGAARM
COc1ccc(Cl)cc1C(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC000008189212	206528337	/nfs/dbraw/zinc/52/83/37/206528337.db2.gz	AEQMYPNGVTUHTK-UHFFFAOYSA-N	-1	0	335.743	3.064	50	0		EGAARM
O=c1nc2sc3c(c2c2[n-]c(Cc4ccccc4)nn21)CCCC3	ZINC000009547529	285201503	/nfs/dbraw/zinc/20/15/03/285201503.db2.gz	SXEGUVQDDCWMFN-UHFFFAOYSA-N	-1	0	336.420	3.102	50	0		EGAARM
O=C([O-])c1cnn(-c2ccc(Br)cc2)c1-n1cccc1	ZINC000044845999	304279820	/nfs/dbraw/zinc/27/98/20/304279820.db2.gz	XJBNVDSPVQJIJA-UHFFFAOYSA-N	-1	0	332.157	3.124	50	0		EGAARM
O=C([O-])c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1	ZINC000299778076	258087664	/nfs/dbraw/zinc/08/76/64/258087664.db2.gz	PIIAKVCAYJCBMA-UHFFFAOYSA-N	-1	0	346.390	3.394	50	0		EGAARM
CC(C)c1[nH]nc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)c1-c1ccccc1	ZINC000071284073	280658878	/nfs/dbraw/zinc/65/88/78/280658878.db2.gz	KSGDCXOZMYSBPA-ZIAGYGMSSA-N	-1	0	341.411	3.495	50	0		EGAARM
Cc1oc2cc(OCC(=O)[O-])ccc2c(=O)c1-c1ccc(F)cc1	ZINC000000518929	294039636	/nfs/dbraw/zinc/03/96/36/294039636.db2.gz	DNYWQKFRDCKTOD-UHFFFAOYSA-N	-1	0	328.295	3.371	50	0	biogenic	EGAARM
COc1ccc2oc(=O)c(-c3c([O-])c4ccccc4[nH]c3=O)cc2c1	ZINC000006493637	295280415	/nfs/dbraw/zinc/28/04/15/295280415.db2.gz	GYDDFSXQMFTHNH-UHFFFAOYSA-N	-1	0	335.315	3.016	50	0		EGAARM
Cn1cc(C(=O)[O-])c(C(=O)N(C2CCCCC2)C2CCCCC2)n1	ZINC000020614426	302910022	/nfs/dbraw/zinc/91/00/22/302910022.db2.gz	XHUONVLNLDKQDH-UHFFFAOYSA-N	-1	0	333.432	3.226	50	0		EGAARM
Cc1oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2c1C(=O)[O-]	ZINC000000100303	452507031	/nfs/dbraw/zinc/50/70/31/452507031.db2.gz	XFSNTYITJPDVTQ-UHFFFAOYSA-N	-1	0	349.339	3.379	50	0		EGAARM
Nc1c(Br)cc(Br)c(Cl)c1C(=O)[O-]	ZINC000000152808	452522937	/nfs/dbraw/zinc/52/29/37/452522937.db2.gz	YCVONUPUCAHKJM-UHFFFAOYSA-N	-1	0	329.375	3.145	50	0		EGAARM
CCOc1ccc(S(=O)(=O)[N-]c2cc(C)ccn2)c2ccccc12	ZINC000000179549	452528511	/nfs/dbraw/zinc/52/85/11/452528511.db2.gz	PUDMOCQMKMVOTB-UHFFFAOYSA-N	-1	0	342.420	3.165	50	0		EGAARM
O=C([O-])[C@H](CC(=O)Nc1ccc(Cl)cc1Cl)[C@H]1CCCO1	ZINC000000291765	452555445	/nfs/dbraw/zinc/55/54/45/452555445.db2.gz	UVDRCVQFHQOGIH-BXKDBHETSA-N	-1	0	332.183	3.202	50	0		EGAARM
C[C@@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2	ZINC000000477047	452603437	/nfs/dbraw/zinc/60/34/37/452603437.db2.gz	DIULBGDXUPDKQD-SNVBAGLBSA-N	-1	0	348.324	3.263	50	0		EGAARM
O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(F)cc1	ZINC000000529388	452614877	/nfs/dbraw/zinc/61/48/77/452614877.db2.gz	CIHQNVARDNBZGB-KRWDZBQOSA-N	-1	0	340.354	3.368	50	0		EGAARM
COc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1Cl	ZINC000001070416	452644319	/nfs/dbraw/zinc/64/43/19/452644319.db2.gz	PRQIABXIIJMWAB-UHFFFAOYSA-N	-1	0	333.743	3.428	50	0		EGAARM
CCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000001079618	452644402	/nfs/dbraw/zinc/64/44/02/452644402.db2.gz	OESFDXLVWKLQPD-UHFFFAOYSA-N	-1	0	346.452	3.278	50	0		EGAARM
Cc1cccc(N2C(=O)S[C@H](Nc3ccc(C(=O)[O-])cc3)C2=O)c1	ZINC000001232455	452648866	/nfs/dbraw/zinc/64/88/66/452648866.db2.gz	MWSQSLAKXOSFLZ-AWEZNQCLSA-N	-1	0	342.376	3.331	50	0		EGAARM
C[C@H](NC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3)c1ccccc1	ZINC000001248298	452649155	/nfs/dbraw/zinc/64/91/55/452649155.db2.gz	TWDDSWRFOLEMID-ZDUSSCGKSA-N	-1	0	348.402	3.144	50	0		EGAARM
Cc1cccc(Cn2cnc3c2cc(C)c(C)c3[N-]S(C)(=O)=O)c1	ZINC000001388568	452658296	/nfs/dbraw/zinc/65/82/96/452658296.db2.gz	BBKXRCHPDAVHLF-UHFFFAOYSA-N	-1	0	343.452	3.381	50	0		EGAARM
O=C([O-])c1cccc(NC(=O)c2cccc(Br)c2)c1O	ZINC000001429487	452664063	/nfs/dbraw/zinc/66/40/63/452664063.db2.gz	PFIWWMNMRAWLKG-UHFFFAOYSA-N	-1	0	336.141	3.105	50	0		EGAARM
COCCNc1nc(-c2cccc(OC)c2[O-])nc2ccccc21	ZINC000002213024	452690174	/nfs/dbraw/zinc/69/01/74/452690174.db2.gz	VXDXBOOZVCOJIS-UHFFFAOYSA-N	-1	0	325.368	3.069	50	0		EGAARM
COc1cc([N-]S(=O)(=O)c2cccs2)ccc1OC(F)F	ZINC000002788863	452724432	/nfs/dbraw/zinc/72/44/32/452724432.db2.gz	KSZWNGCDXDZGII-UHFFFAOYSA-N	-1	0	335.353	3.159	50	0		EGAARM
COc1cccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)[O-])c3N2)c1	ZINC000004196206	452797438	/nfs/dbraw/zinc/79/74/38/452797438.db2.gz	LSTMQXHIFRUHAC-VXGBXAGGSA-N	-1	0	341.289	3.250	50	0	aggregator	EGAARM
COc1ccc(S(=O)(=O)[N-]c2ncccc2C)c2ccccc12	ZINC000004411688	452802941	/nfs/dbraw/zinc/80/29/41/452802941.db2.gz	KVZQKKRGEVTYAB-UHFFFAOYSA-N	-1	0	328.393	3.353	50	0		EGAARM
COc1ccc([C@@H](NC(=O)CCCC(=O)[O-])c2ccccc2)cc1	ZINC000004523741	452807023	/nfs/dbraw/zinc/80/70/23/452807023.db2.gz	ZRMFURHKBIEJNT-IBGZPJMESA-N	-1	0	327.380	3.156	50	0		EGAARM
Cc1cc(C)cc(C[C@H](CC(=O)[O-])C(=O)NCc2ccccc2)c1	ZINC000004719267	452814246	/nfs/dbraw/zinc/81/42/46/452814246.db2.gz	RIMQBDNHGWMURU-GOSISDBHSA-N	-1	0	325.408	3.253	50	0		EGAARM
COc1ccc(OC)c(NC(=O)CSc2ccccc2C(=O)[O-])c1	ZINC000004727921	452815120	/nfs/dbraw/zinc/81/51/20/452815120.db2.gz	NNANACFVCLKXNB-UHFFFAOYSA-N	-1	0	347.392	3.133	50	0		EGAARM
Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(N2CCCC2=O)cc1	ZINC000005329261	452859410	/nfs/dbraw/zinc/85/94/10/452859410.db2.gz	PHXGRAGGRAFQRG-UHFFFAOYSA-N	-1	0	348.399	3.062	50	0		EGAARM
CCOc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1	ZINC000005557578	452884231	/nfs/dbraw/zinc/88/42/31/452884231.db2.gz	SMDTZLFVDJPWJS-UHFFFAOYSA-N	-1	0	334.422	3.496	50	0		EGAARM
COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)s2)c1	ZINC000006317124	452935301	/nfs/dbraw/zinc/93/53/01/452935301.db2.gz	HFZCKXGRHMMMHI-UHFFFAOYSA-N	-1	0	345.829	3.297	50	0		EGAARM
C[C@@H]1CCc2c(sc3[n-]c(=S)n(C[C@@H]4CCCO4)c(=O)c23)C1	ZINC000006420482	452943083	/nfs/dbraw/zinc/94/30/83/452943083.db2.gz	RGQKPVWWDPDHER-ZJUUUORDSA-N	-1	0	336.482	3.424	50	0		EGAARM
O=C([O-])C1CCC(CNC(=O)COc2ccc3ccccc3c2)CC1	ZINC000006760772	452984348	/nfs/dbraw/zinc/98/43/48/452984348.db2.gz	SZYLKGGNWABQEW-UHFFFAOYSA-N	-1	0	341.407	3.226	50	0		EGAARM
CC(=O)Nc1ccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)cc1	ZINC000006880663	453001606	/nfs/dbraw/zinc/00/16/06/453001606.db2.gz	LDTDYEZMIKBQBC-UHFFFAOYSA-N	-1	0	332.400	3.399	50	0		EGAARM
CCCCNC(=O)c1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1	ZINC000012403805	453359807	/nfs/dbraw/zinc/35/98/07/453359807.db2.gz	LTUBGWQAQCANFE-HZPDHXFCSA-N	-1	0	346.427	3.046	50	0		EGAARM
COC(=O)c1ccc(NC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1	ZINC000013746905	453488861	/nfs/dbraw/zinc/48/88/61/453488861.db2.gz	NDBDERPGRPRAST-UHFFFAOYSA-N	-1	0	328.324	3.124	50	0		EGAARM
CCn1ncc(Cn2c(=O)c3c(C)c(C)sc3[n-]c2=S)c1C	ZINC000017070517	453628264	/nfs/dbraw/zinc/62/82/64/453628264.db2.gz	URLAYBNKMSGFMG-UHFFFAOYSA-N	-1	0	334.470	3.311	50	0		EGAARM
CC(=O)N[C@@H](c1ccccc1)c1c(O)c(C(=O)[O-])cc2ccccc21	ZINC000022238464	453688530	/nfs/dbraw/zinc/68/85/30/453688530.db2.gz	SPSLGSPDBRFYLE-SFHVURJKSA-N	-1	0	335.359	3.469	50	0		EGAARM
O=C([O-])c1cccnc1N1CCc2onc(-c3cccc(F)c3)c2C1	ZINC000067446772	453932086	/nfs/dbraw/zinc/93/20/86/453932086.db2.gz	VZGVMCKCZIESAF-UHFFFAOYSA-N	-1	0	339.326	3.137	50	0		EGAARM
O=C([O-])c1n[nH]c(-c2ccc(Br)cc2)c1Br	ZINC000038478108	453940566	/nfs/dbraw/zinc/94/05/66/453940566.db2.gz	HXLYQTRCABXQDI-UHFFFAOYSA-N	-1	0	345.978	3.300	50	0		EGAARM
COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(Cl)cn1	ZINC000041095725	453956450	/nfs/dbraw/zinc/95/64/50/453956450.db2.gz	YRZNTTCGBQKDIC-UHFFFAOYSA-N	-1	0	333.196	3.198	50	0		EGAARM
O=C([O-])COc1ccc(-n2ccnc2-c2ccccn2)cc1Cl	ZINC000067975468	453985728	/nfs/dbraw/zinc/98/57/28/453985728.db2.gz	ALKHTBUONPTNDJ-UHFFFAOYSA-N	-1	0	329.743	3.051	50	0		EGAARM
O=C([O-])c1ccc([C@H]2CCCN(C(=O)Cc3cccc(O)c3)C2)cc1	ZINC000095378537	454200468	/nfs/dbraw/zinc/20/04/68/454200468.db2.gz	VMOXSOIEQSBNBE-KRWDZBQOSA-N	-1	0	339.391	3.039	50	0		EGAARM
O=C(c1cc(=O)c2cccc(F)c2[n-]1)N1CCC[C@]2(CCCO2)CC1	ZINC000097773028	454446622	/nfs/dbraw/zinc/44/66/22/454446622.db2.gz	KRMQHRZUEIBCHX-IBGZPJMESA-N	-1	0	344.386	3.255	50	0		EGAARM
COc1ccc(-c2cc(=O)n(-c3ccccc3OC)[n-]2)cc1OC	ZINC000100236140	454465009	/nfs/dbraw/zinc/46/50/09/454465009.db2.gz	UQMCBKQCEXXBKP-UHFFFAOYSA-N	-1	0	326.352	3.271	50	0		EGAARM
CCn1c(=O)c(C(=O)Nc2ccc(F)cc2)c([O-])c2ccccc21	ZINC000100504387	454466316	/nfs/dbraw/zinc/46/63/16/454466316.db2.gz	SKFPUYRMFSNUTD-UHFFFAOYSA-N	-1	0	326.327	3.118	50	0		EGAARM
Cc1nc(NC(=O)c2csc([N-]c3ncccn3)n2)sc1C	ZINC000049032260	454528814	/nfs/dbraw/zinc/52/88/14/454528814.db2.gz	VTUQLCZDPSXAEP-UHFFFAOYSA-N	-1	0	332.414	3.002	50	0		EGAARM
O=C([O-])c1cc2c(cc1O)NC(=O)C[C@H]2c1cc(F)cc(Cl)c1	ZINC000065459709	454570044	/nfs/dbraw/zinc/57/00/44/454570044.db2.gz	WFTKSLLZIIBUML-JTQLQIEISA-N	-1	0	335.718	3.357	50	0		EGAARM
C[C@H]1Cc2cccc3c2n1c(=O)c(C(=O)NCC1CCCCC1)c3[O-]	ZINC000170624709	454944802	/nfs/dbraw/zinc/94/48/02/454944802.db2.gz	DWAUMCOBMRABOE-LBPRGKRZSA-N	-1	0	340.423	3.134	50	0		EGAARM
O=C([O-])CC[C@@]12CCC(=O)N1c1ccccc1-c1nc3ccccc3n12	ZINC000521398799	459148052	/nfs/dbraw/zinc/14/80/52/459148052.db2.gz	CJZAAYVFTIJJDX-FQEVSTJZSA-N	-1	0	347.374	3.361	50	0		EGAARM
Cc1cc(C(=O)[O-])nc(-c2ccccc2C(=O)N(C(C)C)C(C)C)n1	ZINC000534583264	459335206	/nfs/dbraw/zinc/33/52/06/459335206.db2.gz	YMGNOEDDCMUVIG-UHFFFAOYSA-N	-1	0	341.411	3.409	50	0		EGAARM
Cc1noc(C)c1[C@@H](C)CC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21	ZINC000669434409	461675863	/nfs/dbraw/zinc/67/58/63/461675863.db2.gz	REUAWLKWYVSOFE-XHDPSFHLSA-N	-1	0	342.395	3.390	50	0		EGAARM
O=C([O-])[C@H]1CC12CN(C(=O)OCC1c3ccccc3-c3ccccc31)C2	ZINC000307186162	547460550	/nfs/dbraw/zinc/46/05/50/547460550.db2.gz	UDVDZQYKIXBMOY-GOSISDBHSA-N	-1	0	349.386	3.342	50	0		EGAARM
Cc1cc(NC[C@H](c2ccco2)[NH+](C)C)nc(-c2ccccc2[O-])n1	ZINC001704278203	1416418092	/nfs/dbraw/zinc/41/80/92/1416418092.db2.gz	CHTRIFUINKMAOX-OAHLLOKOSA-N	-1	0	338.411	3.465	50	0		EGAARM
COC1CCN(c2noc(-c3ccc(Cl)cc3)c2C(=O)[O-])CC1	ZINC001704311109	1416438636	/nfs/dbraw/zinc/43/86/36/1416438636.db2.gz	YIUWDNPPDIONSJ-UHFFFAOYSA-N	-1	0	336.775	3.308	50	0		EGAARM
O=C([O-])c1cc(N2CCC[C@]3(CCC[C@H]3O)C2)nc2ccccc21	ZINC001704335280	1416447740	/nfs/dbraw/zinc/44/77/40/1416447740.db2.gz	CEEOSXNPFRLPSY-VQIMIIECSA-N	-1	0	326.396	3.064	50	0		EGAARM
Cc1cccc([C@@H]2CCCN(C(=O)c3ccccc3-c3nn[n-]n3)C2)c1	ZINC000077564591	1424387898	/nfs/dbraw/zinc/38/78/98/1424387898.db2.gz	CUUCIHAABMYMAD-MRXNPFEDSA-N	-1	0	347.422	3.195	50	0		EGAARM
CC1(C)CN(C(=O)c2ccccc2-c2nn[n-]n2)C[C@H]1c1ccccc1	ZINC000426711980	1426297560	/nfs/dbraw/zinc/29/75/60/1426297560.db2.gz	DLLPCNXXCCCZFM-KRWDZBQOSA-N	-1	0	347.422	3.133	50	0		EGAARM
CCCCCCc1c(C)c2ccc(OCc3nn[n-]n3)cc2oc1=O	ZINC000013804391	1441891754	/nfs/dbraw/zinc/89/17/54/1441891754.db2.gz	DYUYXHMXZKQJFW-UHFFFAOYSA-N	-1	0	342.399	3.316	50	0		EGAARM
Cc1cc(C)c(C)c(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)c1	ZINC000014632463	201939381	/nfs/dbraw/zinc/93/93/81/201939381.db2.gz	KOELDDFRSKUVKW-GJZGRUSLSA-N	-1	0	349.427	3.453	50	0		EGAARM
Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1NC(=O)C1CC1	ZINC000030830927	202199089	/nfs/dbraw/zinc/19/90/89/202199089.db2.gz	QBNMWGJUCQGOJF-UHFFFAOYSA-N	-1	0	338.363	3.294	50	0		EGAARM
O=C([O-])[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000001433087	201508411	/nfs/dbraw/zinc/50/84/11/201508411.db2.gz	GUAMYYOQAAUXLR-CYBMUJFWSA-N	-1	0	337.375	3.342	50	0		EGAARM
CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)[O-]	ZINC000002567677	201536462	/nfs/dbraw/zinc/53/64/62/201536462.db2.gz	SHMWDGGGZHFFRC-NSHDSACASA-N	-1	0	333.306	3.226	50	0		EGAARM
Cc1ccccc1OCC(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)cc1	ZINC000003626959	201578553	/nfs/dbraw/zinc/57/85/53/201578553.db2.gz	QAVLHBHUZOXEJH-OAHLLOKOSA-N	-1	0	347.798	3.359	50	0		EGAARM
CC[C@H](C)NC(=O)c1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1	ZINC000244707889	243064210	/nfs/dbraw/zinc/06/42/10/243064210.db2.gz	KJLJHAIVPDONBX-APHBMKBZSA-N	-1	0	346.427	3.044	50	0		EGAARM
O=C([O-])c1ccccc1CC(=O)Nc1nnc(C2CCCCC2)s1	ZINC000071288796	203091527	/nfs/dbraw/zinc/09/15/27/203091527.db2.gz	JBKFNJPRRQKPJI-UHFFFAOYSA-N	-1	0	345.424	3.465	50	0		EGAARM
COc1cccc(CC2(C(=O)[O-])CCN(c3nccs3)CC2)c1	ZINC000071759072	203109029	/nfs/dbraw/zinc/10/90/29/203109029.db2.gz	PUQYAOYFJCHKJH-UHFFFAOYSA-N	-1	0	332.425	3.066	50	0		EGAARM
Cn1c2ccccc2nc1-c1nccn1[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000071764739	203111191	/nfs/dbraw/zinc/11/11/91/203111191.db2.gz	UWGPENBBCPTZGD-QGZVFWFLSA-N	-1	0	346.390	3.305	50	0		EGAARM
Cc1ccccc1OC1(C(=O)[O-])CCN(C(=O)[C@@H]2CC23CCC3)CC1	ZINC000072410078	203217965	/nfs/dbraw/zinc/21/79/65/203217965.db2.gz	OJWOCQRELRMASO-HNNXBMFYSA-N	-1	0	343.423	3.010	50	0		EGAARM
O=C([O-])C1(Oc2cccc(F)c2)CCN(C(=O)[C@@H]2CC=CCC2)CC1	ZINC000072421439	203219617	/nfs/dbraw/zinc/21/96/17/203219617.db2.gz	PNFNAJOGPLYIIT-CQSZACIVSA-N	-1	0	347.386	3.007	50	0		EGAARM
Cc1c(NC(=S)NC(=O)c2ccc(Cl)cc2)cccc1C(=O)[O-]	ZINC000000311306	206232314	/nfs/dbraw/zinc/23/23/14/206232314.db2.gz	CZLSGNYMFMUBFS-UHFFFAOYSA-N	-1	0	348.811	3.473	50	0		EGAARM
CCOc1ccccc1C(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-]	ZINC000002849784	206418283	/nfs/dbraw/zinc/41/82/83/206418283.db2.gz	AALSTTRZOFULQQ-UHFFFAOYSA-N	-1	0	345.351	3.053	50	0		EGAARM
O=C([O-])[C@H]1c2ccccc2C(=O)N(Cc2ccco2)C12CCCC2	ZINC000044921496	304212442	/nfs/dbraw/zinc/21/24/42/304212442.db2.gz	POZIYBSVYVDVDW-MRXNPFEDSA-N	-1	0	325.364	3.417	50	0		EGAARM
O=C([O-])c1csc(-n2nc(-c3ccco3)cc2C(F)(F)F)n1	ZINC000005243376	210423593	/nfs/dbraw/zinc/42/35/93/210423593.db2.gz	RICGBCBHFWKTSG-UHFFFAOYSA-N	-1	0	329.259	3.306	50	0		EGAARM
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](C(=O)[O-])Oc1ccccc12	ZINC000071257467	278383329	/nfs/dbraw/zinc/38/33/29/278383329.db2.gz	ORZDVRCNBGEZFG-OAHLLOKOSA-N	-1	0	347.411	3.191	50	0		EGAARM
CC(C)C[C@H](O)C1CCN(c2ccc(Cl)c(C(=O)[O-])n2)CC1	ZINC000095513043	279196057	/nfs/dbraw/zinc/19/60/57/279196057.db2.gz	GYVUCXDFJCDJRL-ZDUSSCGKSA-N	-1	0	326.824	3.057	50	0		EGAARM
CC(C)c1[nH]nc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)c1-c1ccccc1	ZINC000071284075	280658939	/nfs/dbraw/zinc/65/89/39/280658939.db2.gz	KSGDCXOZMYSBPA-KGLIPLIRSA-N	-1	0	341.411	3.495	50	0		EGAARM
CCc1cc2c(nc(SCC(=O)[O-])n(-c3ccccc3)c2=O)s1	ZINC000000573811	288526252	/nfs/dbraw/zinc/52/62/52/288526252.db2.gz	HKKMMGWUETVWDQ-UHFFFAOYSA-N	-1	0	346.433	3.186	50	0		EGAARM
C[C@]12[C@H](C(=O)[O-])CC[C@@H]1[C@H]1CC[C@H]3C[C@@H](O)CC[C@]3(C)[C@@H]1C[C@H]2O	ZINC000257345815	300876130	/nfs/dbraw/zinc/87/61/30/300876130.db2.gz	JQJFMOYALOFIJZ-BZJMFBRLSA-N	-1	0	336.472	3.062	50	0		EGAARM
CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)[O-]	ZINC000242722844	455272172	/nfs/dbraw/zinc/27/21/72/455272172.db2.gz	XWXRNPULSQYGII-UHFFFAOYSA-N	-1	0	331.393	3.070	50	0		EGAARM
CCc1ccc(-c2csc3ncn([C@H](C)C(=O)[O-])c(=O)c23)cc1	ZINC000000131635	452514741	/nfs/dbraw/zinc/51/47/41/452514741.db2.gz	RHQIJFCELYKQAE-SNVBAGLBSA-N	-1	0	328.393	3.333	50	0		EGAARM
COc1ccccc1N1C(=O)c2cccc3c(C(=O)[O-])ccc(c32)C1=O	ZINC000000284463	452555303	/nfs/dbraw/zinc/55/53/03/452555303.db2.gz	DISVWDVTSGSKRN-UHFFFAOYSA-N	-1	0	347.326	3.347	50	0		EGAARM
CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000000388696	452578012	/nfs/dbraw/zinc/57/80/12/452578012.db2.gz	HOZZVEPRYYCBTO-UHFFFAOYSA-N	-1	0	325.364	3.388	50	0		EGAARM
O=C([O-])c1cc(NC(=O)c2ccco2)cc(NC(=O)c2ccco2)c1	ZINC000000447008	452595068	/nfs/dbraw/zinc/59/50/68/452595068.db2.gz	JQFVFZUCZIUGMT-UHFFFAOYSA-N	-1	0	340.291	3.075	50	0		EGAARM
O=C([O-])/C=C/C(=O)Nc1ccc(NC(=O)c2ccccc2)c(Cl)c1	ZINC000000447998	452595093	/nfs/dbraw/zinc/59/50/93/452595093.db2.gz	XNOSIEGOSCOCFJ-CMDGGOBGSA-N	-1	0	344.754	3.172	50	0		EGAARM
O=C1[N-]C(=O)/C(=C\c2cc(Cl)ccc2OCc2ccccc2)N1	ZINC000000464595	452600578	/nfs/dbraw/zinc/60/05/78/452600578.db2.gz	AGASWLHYDOYTPY-NTEUORMPSA-N	-1	0	328.755	3.099	50	0		EGAARM
CCc1ccccc1NC(=O)c1ccccc1NC(=O)CCC(=O)[O-]	ZINC000000482328	452606215	/nfs/dbraw/zinc/60/62/15/452606215.db2.gz	DQKOFXOPZBLVFT-UHFFFAOYSA-N	-1	0	340.379	3.305	50	0		EGAARM
COc1cc2ncnc(Nc3cccc(C(=O)[O-])c3)c2cc1OC	ZINC000001903669	452680613	/nfs/dbraw/zinc/68/06/13/452680613.db2.gz	LFQFTSLSEMWELU-UHFFFAOYSA-N	-1	0	325.324	3.089	50	0		EGAARM
COc1cc2c(cc1[O-])occ(-c1ccc(OC(C)=O)cc1)c2=O	ZINC000002553970	452704431	/nfs/dbraw/zinc/70/44/31/452704431.db2.gz	SCGPGVGUAVSEGR-UHFFFAOYSA-N	-1	0	326.304	3.100	50	0		EGAARM
O=C([O-])/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1	ZINC000003227315	452749821	/nfs/dbraw/zinc/74/98/21/452749821.db2.gz	ILWWQTZKJOPNQC-JXMROGBWSA-N	-1	0	337.784	3.239	50	0		EGAARM
O=C([O-])CCc1nc2cc(Cl)ccc2n(Cc2ccccc2)c1=O	ZINC000003269649	452755774	/nfs/dbraw/zinc/75/57/74/452755774.db2.gz	RJPOKRWIBHUGTN-UHFFFAOYSA-N	-1	0	342.782	3.115	50	0		EGAARM
O=S(=O)([N-]c1ccccc1Sc1cnccn1)c1ccccc1	ZINC000003997673	452787873	/nfs/dbraw/zinc/78/78/73/452787873.db2.gz	YDJBZMNSRPCGKS-UHFFFAOYSA-N	-1	0	343.433	3.429	50	0		EGAARM
CCn1nc(C)c2c1ncc(C(=O)[O-])c2NCc1ccc(OC)cc1	ZINC000004072999	452793211	/nfs/dbraw/zinc/79/32/11/452793211.db2.gz	NJYQFXVWUKSNFT-UHFFFAOYSA-N	-1	0	340.383	3.079	50	0		EGAARM
Cc1ccccc1CSCC(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000004841316	452822406	/nfs/dbraw/zinc/82/24/06/452822406.db2.gz	NLDYALJLDWGZQK-UHFFFAOYSA-N	-1	0	331.393	3.271	50	0		EGAARM
COc1cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)c(C)cc1C	ZINC000004970541	452829541	/nfs/dbraw/zinc/82/95/41/452829541.db2.gz	OLJKTIMFQIWTIW-UHFFFAOYSA-N	-1	0	326.805	3.161	50	0		EGAARM
CSc1nnc(-c2ccccc2NC(=O)c2ccccc2)c(=O)[n-]1	ZINC000005156689	452839992	/nfs/dbraw/zinc/83/99/92/452839992.db2.gz	YBTORWXBISWEHX-UHFFFAOYSA-N	-1	0	338.392	3.218	50	0		EGAARM
O=C([O-])COc1ccc(-c2n[nH]cc2Oc2ccccc2)c(O)c1	ZINC000005819251	452903146	/nfs/dbraw/zinc/90/31/46/452903146.db2.gz	LRRAGYAQNDCAIR-UHFFFAOYSA-N	-1	0	326.308	3.038	50	0		EGAARM
CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1	ZINC000005826249	452906405	/nfs/dbraw/zinc/90/64/05/452906405.db2.gz	RYZWBAMQABFRHP-UHFFFAOYSA-N	-1	0	330.818	3.161	50	0		EGAARM
O=S(=O)([N-]c1ccc(F)cc1)c1ccccc1Br	ZINC000007401957	453069408	/nfs/dbraw/zinc/06/94/08/453069408.db2.gz	WVLYYXOZUIPMKZ-UHFFFAOYSA-N	-1	0	330.178	3.389	50	0		EGAARM
O=C([O-])c1cc(-c2cccnc2)nc2nc(N3CCCC3)sc21	ZINC000008754358	453233737	/nfs/dbraw/zinc/23/37/37/453233737.db2.gz	HQOUPAQXUBLOFO-UHFFFAOYSA-N	-1	0	326.381	3.052	50	0		EGAARM
Cc1[n-]n2c(nc(SCc3cccnc3)nc2=O)c1-c1ccccc1	ZINC000008979621	453237745	/nfs/dbraw/zinc/23/77/45/453237745.db2.gz	DMDXHAQEYQIPJV-UHFFFAOYSA-N	-1	0	349.419	3.080	50	0		EGAARM
CCCCOc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1	ZINC000011861714	453335367	/nfs/dbraw/zinc/33/53/67/453335367.db2.gz	OBDXULWYWQKUOZ-SJORKVTESA-N	-1	0	333.428	3.373	50	0		EGAARM
O=C([O-])c1ccc(N[C@H]2SC(=O)N(c3ccc(F)cc3)C2=O)cc1	ZINC000012112971	453344616	/nfs/dbraw/zinc/34/46/16/453344616.db2.gz	KZKOSKQOSSSTDT-ZDUSSCGKSA-N	-1	0	346.339	3.162	50	0		EGAARM
Oc1ccc(-c2n[n-]c(=S)n2-c2ccc3c(c2)OCCO3)cc1	ZINC000013125555	453446636	/nfs/dbraw/zinc/44/66/36/453446636.db2.gz	LGDZXLIPFNMOAE-UHFFFAOYSA-N	-1	0	327.365	3.074	50	0		EGAARM
CCCCOc1ccc(C(C)=O)cc1Cc1c([O-])[nH]c(=S)[nH]c1=O	ZINC000013154728	453448477	/nfs/dbraw/zinc/44/84/77/453448477.db2.gz	NOMOQAFYWXAJHH-UHFFFAOYSA-N	-1	0	348.424	3.149	50	0		EGAARM
COC(=O)c1ccccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1	ZINC000014291445	453529401	/nfs/dbraw/zinc/52/94/01/453529401.db2.gz	XSKKDLICEYNMST-UHFFFAOYSA-N	-1	0	339.800	3.069	50	0		EGAARM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCC(C)CC3)cc21	ZINC000022511146	453694380	/nfs/dbraw/zinc/69/43/80/453694380.db2.gz	GXSSURZJRUKQBQ-UHFFFAOYSA-N	-1	0	332.375	3.095	50	0		EGAARM
O=C([O-])c1nn(-c2ccc(F)cc2)cc1OCc1ccc(F)cc1	ZINC000026421982	453799111	/nfs/dbraw/zinc/79/91/11/453799111.db2.gz	QDSCEILSPRZCTE-UHFFFAOYSA-N	-1	0	330.290	3.428	50	0		EGAARM
Cc1[nH]nc2nc(-c3cc(Br)ccc3O)cc(C(=O)[O-])c12	ZINC000040287839	453949484	/nfs/dbraw/zinc/94/94/84/453949484.db2.gz	KYNIOIHGKBEPPK-UHFFFAOYSA-N	-1	0	348.156	3.100	50	0		EGAARM
[O-]c1c([C@H](c2ccccc2Cl)N2CCCC2)sc2ncnn12	ZINC000041637721	453974638	/nfs/dbraw/zinc/97/46/38/453974638.db2.gz	WJWRPZHOJCGPIG-LBPRGKRZSA-N	-1	0	334.832	3.335	50	0		EGAARM
O=S(=O)([N-]c1cnc(Oc2ccccc2)nc1)c1ccccc1F	ZINC000085557404	454033041	/nfs/dbraw/zinc/03/30/41/454033041.db2.gz	GDRWUVNPMLNWNX-UHFFFAOYSA-N	-1	0	345.355	3.209	50	0		EGAARM
CCCCCCc1cc(C)nc([N-]S(=O)(=O)c2ccc(N)cc2)n1	ZINC000043190888	454048263	/nfs/dbraw/zinc/04/82/63/454048263.db2.gz	KYRCCWKTPWMTSK-UHFFFAOYSA-N	-1	0	348.472	3.291	50	0		EGAARM
O=C([O-])c1cccc(N2CCC(c3nc4cc(F)ccc4[nH]3)CC2)n1	ZINC000095365310	454197281	/nfs/dbraw/zinc/19/72/81/454197281.db2.gz	HELTWPOZNDSVBR-UHFFFAOYSA-N	-1	0	340.358	3.179	50	0		EGAARM
CC(C)c1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(Cl)c2)no1	ZINC000095382949	454200652	/nfs/dbraw/zinc/20/06/52/454200652.db2.gz	ICKYOVZQQYVYBV-CYBMUJFWSA-N	-1	0	340.738	3.146	50	0		EGAARM
O=C([O-])c1n[nH]c(-c2cccc(Cl)c2)c1I	ZINC000061714976	454352225	/nfs/dbraw/zinc/35/22/25/454352225.db2.gz	FFYAHBDVXHZADG-UHFFFAOYSA-N	-1	0	348.527	3.033	50	0		EGAARM
CO[C@]12CCN(Cc3c(Cl)ccc([O-])c3Cl)[C@H]1C[C@@H](O)CC2	ZINC000426737517	457890347	/nfs/dbraw/zinc/89/03/47/457890347.db2.gz	NPYOUDGTTAMNIN-JMPLFQLZSA-N	-1	0	346.254	3.203	50	0		EGAARM
COc1ccc2nc(NC(=O)[C@H]3CC(C)=CC[C@H]3C(=O)[O-])sc2c1	ZINC000521398260	459148042	/nfs/dbraw/zinc/14/80/42/459148042.db2.gz	OUMCKLLKLDUBLJ-NEPJUHHUSA-N	-1	0	346.408	3.301	50	0		EGAARM
O=C([O-])COc1ccccc1CN1CCCC[C@H]1c1nccs1	ZINC000534582493	459335735	/nfs/dbraw/zinc/33/57/35/459335735.db2.gz	TWVIZMWQARHYQQ-AWEZNQCLSA-N	-1	0	332.425	3.334	50	0		EGAARM
CN(Cc1[nH]nc2c1CCCCC2)C(=O)c1ccc([O-])c(Cl)c1	ZINC000215551035	536485942	/nfs/dbraw/zinc/48/59/42/536485942.db2.gz	ZRWCOVOYZAGMCH-UHFFFAOYSA-N	-1	0	333.819	3.310	50	0		EGAARM
O=C1N=C(c2c(=O)oc3ccccc3c2[O-])C(c2ccsc2)N1	ZINC000888089291	1304031431	/nfs/dbraw/zinc/03/14/31/1304031431.db2.gz	SVYVYYCILJJTIW-UHFFFAOYSA-N	-1	0	326.333	3.323	50	0		EGAARM
Cc1cccc([C@H]2CCCN(C(=O)c3ccccc3-c3nn[n-]n3)C2)c1	ZINC000077564595	1424338515	/nfs/dbraw/zinc/33/85/15/1424338515.db2.gz	CUUCIHAABMYMAD-INIZCTEOSA-N	-1	0	347.422	3.195	50	0		EGAARM
Cc1nc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])cc2nc1C	ZINC000012372665	201842497	/nfs/dbraw/zinc/84/24/97/201842497.db2.gz	RJMREODRLBVJHL-ZIAGYGMSSA-N	-1	0	327.384	3.076	50	0		EGAARM
O=C([O-])c1ccc(CNC(=O)Cn2ccc3ccc(Cl)cc32)cc1	ZINC000040283614	213288274	/nfs/dbraw/zinc/28/82/74/213288274.db2.gz	SGJREOCOQQZSRF-UHFFFAOYSA-N	-1	0	342.782	3.309	50	0		EGAARM
O=C([O-])C[C@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(F)(F)F	ZINC000055401543	304081699	/nfs/dbraw/zinc/08/16/99/304081699.db2.gz	WXWOMPLVZDQLIH-ONTFQQAWSA-N	-1	0	333.350	3.115	50	0		EGAARM
CCC(=O)Nc1cccc(NC(=O)c2ccccc2C(=O)[O-])c1C	ZINC000036566140	202326509	/nfs/dbraw/zinc/32/65/09/202326509.db2.gz	RHWBLKOPGJETBQ-UHFFFAOYSA-N	-1	0	326.352	3.294	50	0		EGAARM
CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)[N-]c1cc(C)ccn1	ZINC000036638857	202327931	/nfs/dbraw/zinc/32/79/31/202327931.db2.gz	PMZQJKMHIYFESO-UHFFFAOYSA-N	-1	0	348.468	3.443	50	0		EGAARM
O=C([O-])CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1	ZINC000036724659	202329341	/nfs/dbraw/zinc/32/93/41/202329341.db2.gz	GBTRCFQHWDEMRC-UHFFFAOYSA-N	-1	0	349.799	3.417	50	0		EGAARM
COc1ccc(CCNc2ncnc3sc(C(=O)[O-])c(C)c32)cc1	ZINC000299797996	201355120	/nfs/dbraw/zinc/35/51/20/201355120.db2.gz	PJOAKGQXTZYIFY-UHFFFAOYSA-N	-1	0	343.408	3.361	50	0		EGAARM
Cc1cc(-c2ccccc2)nc2c(Br)c(C(=O)[O-])nn21	ZINC000000317997	201460646	/nfs/dbraw/zinc/46/06/46/201460646.db2.gz	JKWJPEBPFMSVBX-UHFFFAOYSA-N	-1	0	332.157	3.165	50	0		EGAARM
CSCC[C@@H](Nc1nc(C)nc2c3ccccc3oc21)C(=O)[O-]	ZINC000002411756	201532218	/nfs/dbraw/zinc/53/22/18/201532218.db2.gz	SHIGIJWQNCLILN-LLVKDONJSA-N	-1	0	331.397	3.303	50	0		EGAARM
O=C([O-])c1nnn(-c2ccccc2C(F)(F)F)c1-c1cccnc1	ZINC000070456731	203077150	/nfs/dbraw/zinc/07/71/50/203077150.db2.gz	LPBXAJXQNOWTCU-UHFFFAOYSA-N	-1	0	334.257	3.046	50	0		EGAARM
O=C([O-])C1(Oc2ccc(F)cc2)CCN(C(=O)[C@H]2CC=CCC2)CC1	ZINC000072476747	203232049	/nfs/dbraw/zinc/23/20/49/203232049.db2.gz	MOULLLGKHYKSKR-AWEZNQCLSA-N	-1	0	347.386	3.007	50	0		EGAARM
O=C([O-])c1ccc([C@H]2CC(=O)Nc3c2cnn3Cc2ccco2)cc1	ZINC000072404775	203215191	/nfs/dbraw/zinc/21/51/91/203215191.db2.gz	FOUWRISARMPHLK-CQSZACIVSA-N	-1	0	337.335	3.346	50	0		EGAARM
CC(C)C[C@@H](O)C1CCN(c2ccc(Cl)c(C(=O)[O-])n2)CC1	ZINC000095513044	203753670	/nfs/dbraw/zinc/75/36/70/203753670.db2.gz	GYVUCXDFJCDJRL-CYBMUJFWSA-N	-1	0	326.824	3.057	50	0		EGAARM
Cc1cc2c(nc3[n-]nc(SCc4ccccc4)n3c2=O)s1	ZINC000101658726	204017398	/nfs/dbraw/zinc/01/73/98/204017398.db2.gz	GDRNGTKKIABFGF-UHFFFAOYSA-N	-1	0	328.422	3.233	50	0		EGAARM
Cc1ccc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)s1	ZINC000002436946	135657418	/nfs/dbraw/zinc/65/74/18/135657418.db2.gz	YQQZIGBBAGVTHM-UHFFFAOYSA-N	-1	0	332.425	3.203	50	0		EGAARM
CC1(C)Cc2c(sc(NC(=O)N3CCCCC3)c2C(=O)[O-])CO1	ZINC000006661978	281369874	/nfs/dbraw/zinc/36/98/74/281369874.db2.gz	ORAGSMLQGSXAPA-UHFFFAOYSA-N	-1	0	338.429	3.315	50	0		EGAARM
COc1ccc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])c(OC)c1	ZINC000017068565	295161190	/nfs/dbraw/zinc/16/11/90/295161190.db2.gz	HADMDGXVCQDGGK-UONOGXRCSA-N	-1	0	333.384	3.090	50	0		EGAARM
Cc1cc(C(=O)[O-])cc(-c2ccc([C@H](C)N3CCOCC3)cc2)n1	ZINC000215506364	301151749	/nfs/dbraw/zinc/15/17/49/301151749.db2.gz	VOOTUEUBABIWHQ-AWEZNQCLSA-N	-1	0	326.396	3.148	50	0		EGAARM
Cc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c(Br)c1	ZINC000000441554	301641027	/nfs/dbraw/zinc/64/10/27/301641027.db2.gz	PQICXQMAYOCLRN-MNOVXSKESA-N	-1	0	338.201	3.363	50	0		EGAARM
Cc1nc2ccccc2c2c1C(=O)N(c1cccc(C(=O)[O-])c1)C2=O	ZINC000001902314	302665206	/nfs/dbraw/zinc/66/52/06/302665206.db2.gz	RJYHDINDBBSSFD-UHFFFAOYSA-N	-1	0	332.315	3.042	50	0		EGAARM
Cc1sc(NC(=O)CSCC(=O)[O-])nc1-c1ccc(C)cc1	ZINC000017070742	302880684	/nfs/dbraw/zinc/88/06/84/302880684.db2.gz	WUOVATBOYPHZEA-UHFFFAOYSA-N	-1	0	336.438	3.183	50	0		EGAARM
COc1ccc2c(c1)oc(-c1cccc(OC)c1OC)c(O)c2=O	ZINC000000057767	452496757	/nfs/dbraw/zinc/49/67/57/452496757.db2.gz	ZRXPNKGQYPKANN-UHFFFAOYSA-N	-1	0	328.320	3.191	50	0		EGAARM
CC[C@H](C(=O)[O-])n1cnc2sc(C)c(-c3ccccc3)c2c1=O	ZINC000000145958	452521080	/nfs/dbraw/zinc/52/10/80/452521080.db2.gz	LGPFPZPACCUANZ-GFCCVEGCSA-N	-1	0	328.393	3.469	50	0		EGAARM
COC(=O)N(C)c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1	ZINC000000213093	452537705	/nfs/dbraw/zinc/53/77/05/452537705.db2.gz	SNRYLLABGGAGIS-UHFFFAOYSA-N	-1	0	331.212	3.201	50	0		EGAARM
O=C([O-])CSc1nnc(COc2ccccc2)n1-c1ccccc1	ZINC000000276462	452552846	/nfs/dbraw/zinc/55/28/46/452552846.db2.gz	YPYYQRMPSLYSNZ-UHFFFAOYSA-N	-1	0	341.392	3.023	50	0		EGAARM
COc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3c2)cc1OC	ZINC000000299096	452557173	/nfs/dbraw/zinc/55/71/73/452557173.db2.gz	WEYRMGPIWPNMSQ-UHFFFAOYSA-N	-1	0	344.392	3.053	50	0		EGAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(Cl)c2C)c1	ZINC000000308289	452559435	/nfs/dbraw/zinc/55/94/35/452559435.db2.gz	WVLCEKPFTOSZED-UHFFFAOYSA-N	-1	0	341.816	3.466	50	0		EGAARM
CCCC(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1	ZINC000000313561	452562554	/nfs/dbraw/zinc/56/25/54/452562554.db2.gz	RFAGVRWOQQSIMH-UHFFFAOYSA-N	-1	0	326.352	3.376	50	0		EGAARM
CCOC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000000479897	452606428	/nfs/dbraw/zinc/60/64/28/452606428.db2.gz	BXUZVQKNWHCLOE-UHFFFAOYSA-N	-1	0	339.800	3.318	50	0		EGAARM
CCOc1cc(/C=C(/NC(C)=O)C(=O)[O-])cc(Cl)c1OC(C)C	ZINC000000554952	452620377	/nfs/dbraw/zinc/62/03/77/452620377.db2.gz	YIWDJBFPXGMUMK-NTUHNPAUSA-N	-1	0	341.791	3.088	50	0		EGAARM
O=C([O-])CCCCCNC(=O)COc1ccc(Cl)cc1Cl	ZINC000002277548	452692612	/nfs/dbraw/zinc/69/26/12/452692612.db2.gz	HVTGLNTXHGVFHY-UHFFFAOYSA-N	-1	0	334.199	3.133	50	0		EGAARM
O=C([O-])C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(F)cc1	ZINC000002884648	452733420	/nfs/dbraw/zinc/73/34/20/452733420.db2.gz	HAQMYIJEXSFJRM-HNNXBMFYSA-N	-1	0	335.762	3.354	50	0		EGAARM
CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2ccc(F)cc2)cc1	ZINC000003624349	452785837	/nfs/dbraw/zinc/78/58/37/452785837.db2.gz	JEPHMQVXBBEKQA-QGZVFWFLSA-N	-1	0	345.370	3.099	50	0		EGAARM
CC(C)(C)OC(=O)N1C[C@@H](c2cccc(Cl)c2)[C@H](C(=O)[O-])C1	ZINC000004241596	452797001	/nfs/dbraw/zinc/79/70/01/452797001.db2.gz	JWDQWZPPUIYEEZ-QWHCGFSZSA-N	-1	0	325.792	3.375	50	0		EGAARM
CCCCCc1nnc([N-]S(=O)(=O)c2ccc(OC)cc2)s1	ZINC000004499997	452807166	/nfs/dbraw/zinc/80/71/66/452807166.db2.gz	HRKLCSMVUFNXOR-UHFFFAOYSA-N	-1	0	341.458	3.080	50	0		EGAARM
CC[C@H](C)OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000004551237	452807954	/nfs/dbraw/zinc/80/79/54/452807954.db2.gz	IILHURVYVFCVLC-VBNZEHGJSA-N	-1	0	345.395	3.247	50	0		EGAARM
O=C([O-])[C@@H]1CC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C1	ZINC000004547019	452808963	/nfs/dbraw/zinc/80/89/63/452808963.db2.gz	JPMORZKNPKIDSM-CYBMUJFWSA-N	-1	0	345.782	3.357	50	0		EGAARM
CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1	ZINC000005707713	452897331	/nfs/dbraw/zinc/89/73/31/452897331.db2.gz	RNWXEXPNXAICBK-CVEARBPZSA-N	-1	0	345.395	3.249	50	0		EGAARM
O=S(=O)([N-]c1ncccc1OCc1ccccc1)c1ccccc1	ZINC000006057221	452917630	/nfs/dbraw/zinc/91/76/30/452917630.db2.gz	JBHHMMLJGNLVNB-UHFFFAOYSA-N	-1	0	340.404	3.461	50	0		EGAARM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Br)cn2)c1	ZINC000006706570	452974447	/nfs/dbraw/zinc/97/44/47/452974447.db2.gz	VUJKKLBRXAZVAQ-UHFFFAOYSA-N	-1	0	341.230	3.262	50	0		EGAARM
O=C([O-])C1CCN(C(=O)COc2ccccc2-c2ccccc2)CC1	ZINC000008026933	453152773	/nfs/dbraw/zinc/15/27/73/453152773.db2.gz	YQAKHIWLAUJJNY-UHFFFAOYSA-N	-1	0	339.391	3.056	50	0		EGAARM
O=C([O-])Cc1csc(SCC(=O)Nc2ccc(Cl)cc2)n1	ZINC000013414752	453462608	/nfs/dbraw/zinc/46/26/08/453462608.db2.gz	AGIMCNNUXDWEHE-UHFFFAOYSA-N	-1	0	342.829	3.154	50	0		EGAARM
CCn1c(SCc2ccc(C(=O)[O-])cc2)nnc1-c1cccnc1	ZINC000016755464	453621258	/nfs/dbraw/zinc/62/12/58/453621258.db2.gz	XJIIJXJUAQOZMI-UHFFFAOYSA-N	-1	0	340.408	3.351	50	0		EGAARM
Cc1cc(C)nc([N-]c2n[nH]c(COc3ccc(Cl)cc3)n2)n1	ZINC000017014505	453626581	/nfs/dbraw/zinc/62/65/81/453626581.db2.gz	DZPSKVLJXKFCNG-UHFFFAOYSA-N	-1	0	330.779	3.188	50	0	aggregator	EGAARM
O=c1[nH]c(=S)[n-]c2sc3c(c21)CCN(Cc1ccccc1)C3	ZINC000018207734	453647939	/nfs/dbraw/zinc/64/79/39/453647939.db2.gz	JVCUGJVMXILHQW-UHFFFAOYSA-N	-1	0	329.450	3.205	50	0		EGAARM
CC[C@@H](OC)c1nnc(SCC(=O)[O-])n1-c1cccc(Cl)c1	ZINC000067542076	453940904	/nfs/dbraw/zinc/94/09/04/453940904.db2.gz	HMLSLYJLNBCJNI-LLVKDONJSA-N	-1	0	341.820	3.195	50	0		EGAARM
CCc1nc2sc(C)cc2c(N[C@H](CCSC)C(=O)[O-])n1	ZINC000041090718	453955695	/nfs/dbraw/zinc/95/56/95/453955695.db2.gz	GQVWMXWNJACJCQ-SNVBAGLBSA-N	-1	0	325.459	3.180	50	0		EGAARM
CC(C)OCc1nnc(SCC(=O)[O-])n1-c1ccc(Cl)cc1	ZINC000067884494	453976615	/nfs/dbraw/zinc/97/66/15/453976615.db2.gz	FBLIDXPPIVNKNP-UHFFFAOYSA-N	-1	0	341.820	3.022	50	0		EGAARM
O=C([O-])c1cccc([C@@H]2CCCN(C(=O)CSCC3CC3)C2)c1	ZINC000095358453	454196899	/nfs/dbraw/zinc/19/68/99/454196899.db2.gz	SNBHXHUOQSCEEI-MRXNPFEDSA-N	-1	0	333.453	3.234	50	0		EGAARM
Cn1cc(Cl)cc1C(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1	ZINC000095361958	454197550	/nfs/dbraw/zinc/19/75/50/454197550.db2.gz	ZNNBCLQDDYBLCQ-AWEZNQCLSA-N	-1	0	346.814	3.397	50	0		EGAARM
O=C([O-])c1ccc([C@@H]2CCCN(C(=O)Cc3cccc(O)c3)C2)cc1	ZINC000095378538	454200793	/nfs/dbraw/zinc/20/07/93/454200793.db2.gz	VMOXSOIEQSBNBE-QGZVFWFLSA-N	-1	0	339.391	3.039	50	0		EGAARM
Cn1c(=O)c(C(=O)Nc2ccc(Cl)cc2)c([O-])c2ccccc21	ZINC000100498458	454466463	/nfs/dbraw/zinc/46/64/63/454466463.db2.gz	QQBREMHXWVEAHL-UHFFFAOYSA-N	-1	0	328.755	3.150	50	0		EGAARM
O=C([O-])CCN(CCc1ccccc1)C(=O)OCc1ccccc1	ZINC000118310293	455103063	/nfs/dbraw/zinc/10/30/63/455103063.db2.gz	UATBFEJJXSCPED-UHFFFAOYSA-N	-1	0	327.380	3.343	50	0		EGAARM
Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2cccnc2)cs1	ZINC000206908808	456018175	/nfs/dbraw/zinc/01/81/75/456018175.db2.gz	ZGPUHYGFGYJHRZ-UHFFFAOYSA-N	-1	0	331.422	3.314	50	0		EGAARM
Cc1nn(C)c(C=Cc2cc(=O)[nH]c(C3CC3)n2)c1Br	ZINC000329231710	456858114	/nfs/dbraw/zinc/85/81/14/456858114.db2.gz	FJICEDHJDHFDIM-AATRIKPKSA-N	-1	0	335.205	3.034	50	0		EGAARM
O=c1c2sccc2n2c([S-])nnc2n1Cc1ccc(Cl)cc1	ZINC000390830952	457444811	/nfs/dbraw/zinc/44/48/11/457444811.db2.gz	OOAZEYGQULEVKX-UHFFFAOYSA-N	-1	0	348.840	3.096	50	0		EGAARM
CCOC(=O)c1cc(Br)sc1NC(=O)C(F)(F)F	ZINC000584906600	459821521	/nfs/dbraw/zinc/82/15/21/459821521.db2.gz	FHUJFYAHUHERBE-UHFFFAOYSA-N	-1	0	346.124	3.188	50	0		EGAARM
O=C1[C@@H](Cc2c[nH]c3ccccc23)N=C2c3ccccc3[N-]C(=S)N12	ZINC000575615032	459984926	/nfs/dbraw/zinc/98/49/26/459984926.db2.gz	DKVFDSHSFLGXDM-MRXNPFEDSA-N	-1	0	346.415	3.078	50	0		EGAARM
O=C([O-])COc1ccc(N2C(=O)c3cccc4cccc(c43)C2=O)cc1	ZINC000000033451	527617614	/nfs/dbraw/zinc/61/76/14/527617614.db2.gz	OKBDNYIGHHUXLZ-UHFFFAOYSA-N	-1	0	347.326	3.104	50	0		EGAARM
CCC[C@@H](NC(=O)N(C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-]	ZINC000670460119	548219275	/nfs/dbraw/zinc/21/92/75/548219275.db2.gz	UYRKVFHKIZXCTK-GFCCVEGCSA-N	-1	0	332.322	3.100	50	0		EGAARM
O=C([O-])C=C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000725240624	563973704	/nfs/dbraw/zinc/97/37/04/563973704.db2.gz	RSZYIFTUUZMIDT-UHFFFAOYSA-N	-1	0	335.359	3.262	50	0		EGAARM
Cc1cc(-c2nnc(SCC(=O)[O-])n2[C@H](C)c2ccccc2)on1	ZINC000067459251	1292161172	/nfs/dbraw/zinc/16/11/72/1292161172.db2.gz	NSILEQHHEDWCHO-LLVKDONJSA-N	-1	0	344.396	3.028	50	0		EGAARM
Cc1cc(C(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)cnc1C	ZINC000095376791	1292945152	/nfs/dbraw/zinc/94/51/52/1292945152.db2.gz	SHDPMHYVPFSAGX-QGZVFWFLSA-N	-1	0	338.407	3.416	50	0		EGAARM
C[C@H]1CCc2c(C(=O)Nc3cccc(-c4nn[n-]n4)c3)csc2C1	ZINC000006698804	1443896552	/nfs/dbraw/zinc/89/65/52/1443896552.db2.gz	SWUIXMKMPSGZMS-JTQLQIEISA-N	-1	0	339.424	3.305	50	0		EGAARM
COc1ccc(C(=O)C=C([O-])c2ccc(OC)c(OC)c2)cc1OC	ZINC000100802017	219107157	/nfs/dbraw/zinc/10/71/57/219107157.db2.gz	ZLFWYIZYFQAOBZ-UHFFFAOYSA-N	-1	0	344.363	3.177	50	0		EGAARM
Cc1cc(Br)c(I)c(C(=O)[O-])c1	ZINC000148856026	301069167	/nfs/dbraw/zinc/06/91/67/301069167.db2.gz	BGNUGOQOZLIANN-UHFFFAOYSA-N	-1	0	340.942	3.060	50	0		EGAARM
CCOc1ccc(NC(=O)COc2ccccc2/C=C/C(=O)[O-])cc1	ZINC000012394644	201843759	/nfs/dbraw/zinc/84/37/59/201843759.db2.gz	DKNKVHMLVGASQD-KPKJPENVSA-N	-1	0	341.363	3.201	50	0		EGAARM
CCOC(=O)C1=C(C)NC(C)=C(C(=O)[O-])[C@H]1c1cccc(Cl)c1	ZINC000025757616	202135287	/nfs/dbraw/zinc/13/52/87/202135287.db2.gz	NQDWZIVMDCMDJE-OAHLLOKOSA-N	-1	0	335.787	3.223	50	0		EGAARM
CC(=O)Oc1cc(NC(=O)OCc2ccccc2)ccc1C(=O)[O-]	ZINC000071769780	202353810	/nfs/dbraw/zinc/35/38/10/202353810.db2.gz	QCAKSBPZNKYDQH-UHFFFAOYSA-N	-1	0	329.308	3.059	50	0		EGAARM
CCOc1ccccc1[N-]S(=O)(=O)c1cccc2cccnc21	ZINC000000423528	201470969	/nfs/dbraw/zinc/47/09/69/201470969.db2.gz	XDDLOGKNBIQVIX-UHFFFAOYSA-N	-1	0	328.393	3.434	50	0		EGAARM
O=C([O-])CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccccc1Cl	ZINC000000551608	201486617	/nfs/dbraw/zinc/48/66/17/201486617.db2.gz	QSBBEKYUAWGQSU-CQSZACIVSA-N	-1	0	346.770	3.476	50	0		EGAARM
O=C([O-])CCCN1C(=O)S/C(=C\c2c[nH]c3ccccc23)C1=O	ZINC000002329007	201529840	/nfs/dbraw/zinc/52/98/40/201529840.db2.gz	RZTZVFOLCBWIRT-JYRVWZFOSA-N	-1	0	330.365	3.069	50	0		EGAARM
CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl	ZINC000002655689	201539291	/nfs/dbraw/zinc/53/92/91/201539291.db2.gz	SZYQKZSPWPXWMK-ZETCQYMHSA-N	-1	0	340.228	3.159	50	0		EGAARM
CC(C)C[C@@H]1COCCN1Cc1cc(Cl)ccc1OCC(=O)[O-]	ZINC000243901754	243032177	/nfs/dbraw/zinc/03/21/77/243032177.db2.gz	BDOFFPNGHZXUQS-OAHLLOKOSA-N	-1	0	341.835	3.050	50	0		EGAARM
COc1ccc([C@H]2CC(=O)Nc3c2c(=O)[nH]n3C2CCCC2)cc1O	ZINC000071279247	203089196	/nfs/dbraw/zinc/08/91/96/203089196.db2.gz	OFAQPEPKPGPNNC-GFCCVEGCSA-N	-1	0	343.383	3.129	50	0		EGAARM
Cc1nc(-c2cccc(F)c2)sc1C(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000071328925	203092523	/nfs/dbraw/zinc/09/25/23/203092523.db2.gz	MPRJPJHALCMVRI-GFCCVEGCSA-N	-1	0	336.388	3.097	50	0		EGAARM
O=C([O-])c1ccccc1[C@H]1CCN(C(=O)Cc2c[nH]c3ccccc23)C1	ZINC000072127196	203164781	/nfs/dbraw/zinc/16/47/81/203164781.db2.gz	IZXHSMMHSVKSBJ-AWEZNQCLSA-N	-1	0	348.402	3.425	50	0		EGAARM
Cc1ccc(C(=O)N2CC[C@H](c3ccccc3C(=O)[O-])C2)cc1O	ZINC000072140424	203167901	/nfs/dbraw/zinc/16/79/01/203167901.db2.gz	DDYJAZKYISUTKN-AWEZNQCLSA-N	-1	0	325.364	3.029	50	0		EGAARM
CCc1nc(C)c(C(=O)N2CC[C@H](c3ccccc3C(=O)[O-])C2)s1	ZINC000072149659	203171810	/nfs/dbraw/zinc/17/18/10/203171810.db2.gz	ARTUJEBQGBRDLG-LBPRGKRZSA-N	-1	0	344.436	3.342	50	0		EGAARM
CCCn1c(=O)c(C(=O)Nc2nc(C)cs2)c([O-])c2ccccc21	ZINC000100534600	284127722	/nfs/dbraw/zinc/12/77/22/284127722.db2.gz	GIMZILLZOBVSOH-UHFFFAOYSA-N	-1	0	343.408	3.134	50	0		EGAARM
O=C([O-])C1(Oc2ccc3ccccc3c2)CCN(c2cnccn2)CC1	ZINC000072440808	203225815	/nfs/dbraw/zinc/22/58/15/203225815.db2.gz	FXKBSIFCBWPOQP-UHFFFAOYSA-N	-1	0	349.390	3.132	50	0		EGAARM
CC(C)Oc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1	ZINC000000206841	206209241	/nfs/dbraw/zinc/20/92/41/206209241.db2.gz	NFKOKZMQZVOUBY-QGZVFWFLSA-N	-1	0	327.380	3.420	50	0		EGAARM
COc1cc(NC(=O)CSc2ccccc2)c(C(=O)[O-])cc1OC	ZINC000000367877	206236106	/nfs/dbraw/zinc/23/61/06/206236106.db2.gz	IUFAVHVWXKVLKB-UHFFFAOYSA-N	-1	0	347.392	3.133	50	0		EGAARM
Cc1cc2nc(CN3CCCC[C@H]3c3cccc(F)c3)cc(=O)n2[n-]1	ZINC000101788172	206328537	/nfs/dbraw/zinc/32/85/37/206328537.db2.gz	WNJPYLQKGVLCLU-KRWDZBQOSA-N	-1	0	340.402	3.197	50	0		EGAARM
O=C([O-])c1nccnc1C(=O)Nc1ccc(C2CCCCC2)cc1	ZINC000072400791	304284237	/nfs/dbraw/zinc/28/42/37/304284237.db2.gz	YFPRMLCRVDEAIR-UHFFFAOYSA-N	-1	0	325.368	3.475	50	0		EGAARM
COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)[O-])c3N2)cc1	ZINC000000226844	295225987	/nfs/dbraw/zinc/22/59/87/295225987.db2.gz	NTXNGOHFEKXPCS-RYUDHWBXSA-N	-1	0	341.289	3.250	50	0		EGAARM
O=C([O-])c1ccc2c(c1)C(=O)N(c1cccc(C(F)(F)F)c1)C2=O	ZINC000000069757	452497803	/nfs/dbraw/zinc/49/78/03/452497803.db2.gz	LVGRZMPHTFMGEL-UHFFFAOYSA-N	-1	0	335.237	3.204	50	0		EGAARM
O=C([O-])[C@@H](Cc1ccccc1)Nc1ncnc2sc3c(c21)CCC3	ZINC000000090330	452504657	/nfs/dbraw/zinc/50/46/57/452504657.db2.gz	QSNGLNKGJCOLDP-CYBMUJFWSA-N	-1	0	339.420	3.288	50	0		EGAARM
COc1cccc(Nc2nc(N)nc(-c3cc(Cl)ccc3[O-])n2)c1	ZINC000000405165	452579797	/nfs/dbraw/zinc/57/97/97/452579797.db2.gz	KKHBGDQJRWVUOX-UHFFFAOYSA-N	-1	0	343.774	3.232	50	0		EGAARM
CCn1c(=O)c(C(=O)Nc2ccc(F)cc2)c([O-])c2ccccc21	ZINC000001306142	452652658	/nfs/dbraw/zinc/65/26/58/452652658.db2.gz	VGGVBJDXLDAEMJ-UHFFFAOYSA-N	-1	0	326.327	3.118	50	0		EGAARM
COc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)c(OC)c1	ZINC000002465204	452699378	/nfs/dbraw/zinc/69/93/78/452699378.db2.gz	QLHIFKLMQJZHIF-UHFFFAOYSA-N	-1	0	344.392	3.053	50	0		EGAARM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1	ZINC000003211052	452748376	/nfs/dbraw/zinc/74/83/76/452748376.db2.gz	GDSRKKAEEKYVAQ-UHFFFAOYSA-N	-1	0	325.773	3.147	50	0		EGAARM
C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)[O-]	ZINC000003888398	452788178	/nfs/dbraw/zinc/78/81/78/452788178.db2.gz	BOSLYFPDZHNTDX-VIFPVBQESA-N	-1	0	346.433	3.358	50	0		EGAARM
Cc1ccc(-c2csc3ncn([C@@H](C)C(=O)[O-])c(=O)c23)cc1C	ZINC000004056262	452789737	/nfs/dbraw/zinc/78/97/37/452789737.db2.gz	AQBHNBFOXYLAJF-NSHDSACASA-N	-1	0	328.393	3.387	50	0		EGAARM
Cc1ccc(S(=O)(=O)[N-]C(=O)N(c2ccccc2)C(C)C)cc1	ZINC000004109967	452792048	/nfs/dbraw/zinc/79/20/48/452792048.db2.gz	KNGHMGJFTJZKEF-UHFFFAOYSA-N	-1	0	332.425	3.308	50	0		EGAARM
COCCN1C(=O)S/C(=C/c2cc(Cl)c([O-])c(Cl)c2)C1=O	ZINC000004699775	452812909	/nfs/dbraw/zinc/81/29/09/452812909.db2.gz	JRCHMVBWEZOKOA-UXBLZVDNSA-N	-1	0	348.207	3.382	50	0		EGAARM
COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)[O-])cc3N2)c1	ZINC000004825197	452818765	/nfs/dbraw/zinc/81/87/65/452818765.db2.gz	LDNKVPOAPZQKIK-PWSUYJOCSA-N	-1	0	341.289	3.250	50	0		EGAARM
Cc1ccc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1Cl	ZINC000004809365	452819573	/nfs/dbraw/zinc/81/95/73/452819573.db2.gz	GCBPFLRKVVERCT-UHFFFAOYSA-N	-1	0	338.816	3.272	50	0		EGAARM
O=C([O-])c1cccc(CSc2nnc(Cc3ccccc3)[nH]2)c1	ZINC000005068521	452836658	/nfs/dbraw/zinc/83/66/58/452836658.db2.gz	HTCZPCDYRVSEOH-UHFFFAOYSA-N	-1	0	325.393	3.386	50	0		EGAARM
CCCCCC[C@H](O)C[C@H](O)[C@H](O)CCCCCCCC(=O)[O-]	ZINC000006203414	452924777	/nfs/dbraw/zinc/92/47/77/452924777.db2.gz	DJKUVMZEGIWUTP-BBWFWOEESA-N	-1	0	332.481	3.245	50	0		EGAARM
Cc1ccc(C(=O)Nc2ccccc2-c2n[nH]c(=S)[n-]c2=O)cc1	ZINC000006565328	452954334	/nfs/dbraw/zinc/95/43/34/452954334.db2.gz	XWKHGUBYPYQDTE-UHFFFAOYSA-N	-1	0	338.392	3.055	50	0		EGAARM
CCn1ncc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1C	ZINC000006706575	452973559	/nfs/dbraw/zinc/97/35/59/452973559.db2.gz	JGKKVSTWJQFKDU-UHFFFAOYSA-N	-1	0	333.335	3.031	50	0		EGAARM
Cc1ccc2[nH]c(SCC(=O)Nc3ccc(C(=O)[O-])cc3)nc2c1	ZINC000006908890	453005950	/nfs/dbraw/zinc/00/59/50/453005950.db2.gz	FDWKPVYYODQOSU-UHFFFAOYSA-N	-1	0	341.392	3.300	50	0		EGAARM
CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C)n1	ZINC000008714943	453225970	/nfs/dbraw/zinc/22/59/70/453225970.db2.gz	UXXAOLHUYMFVON-UHFFFAOYSA-N	-1	0	326.805	3.243	50	0		EGAARM
COc1ccc2nc([N-]c3nc(C)c(C(C)=O)c(C)n3)nc(C)c2c1	ZINC000009111368	453242221	/nfs/dbraw/zinc/24/22/21/453242221.db2.gz	DHEGKCQJXWQXRZ-UHFFFAOYSA-N	-1	0	337.383	3.300	50	0		EGAARM
CCCN(CCC)C(=O)c1ccc(NC(=O)CCCC(=O)[O-])cc1	ZINC000012403786	453359449	/nfs/dbraw/zinc/35/94/49/453359449.db2.gz	FBSHPRZKTQFMCB-UHFFFAOYSA-N	-1	0	334.416	3.142	50	0		EGAARM
C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(=O)[O-])C(=O)N2Cc1ccccc1	ZINC000015022873	453551903	/nfs/dbraw/zinc/55/19/03/453551903.db2.gz	ACHKSQKUNCACKU-VPWXQRGCSA-N	-1	0	337.375	3.012	50	0		EGAARM
CC[C@@H](C)[C@H](NC(=O)CCn1ccc2ccc(Cl)cc21)C(=O)[O-]	ZINC000040309206	453949492	/nfs/dbraw/zinc/94/94/92/453949492.db2.gz	IUTZOUDSDUNHPO-BZNIZROVSA-N	-1	0	336.819	3.300	50	0	biogenic	EGAARM
O=C([O-])CCCc1nc2ccccc2c2nc(Cc3ccccc3)nn21	ZINC000040555395	453953016	/nfs/dbraw/zinc/95/30/16/453953016.db2.gz	FWYAUURBQZZSGN-UHFFFAOYSA-N	-1	0	346.390	3.276	50	0		EGAARM
CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccc(Cl)cc12)C(=O)[O-]	ZINC000040566506	453953369	/nfs/dbraw/zinc/95/33/69/453953369.db2.gz	PZZXAZAYKCNQAL-CYBMUJFWSA-N	-1	0	338.791	3.342	50	0		EGAARM
CC(=O)c1cccc([C@@H](C(=O)[O-])N2CCc3ccccc3C2)c1F	ZINC000095354426	454197659	/nfs/dbraw/zinc/19/76/59/454197659.db2.gz	DMXJZHDBBKUJOK-SFHVURJKSA-N	-1	0	327.355	3.212	50	0		EGAARM
O=C([O-])c1nc(N2CCC[C@H](OCc3ccccn3)C2)ccc1Cl	ZINC000096148069	454293201	/nfs/dbraw/zinc/29/32/01/454293201.db2.gz	KNTGXOAWKGPQMQ-ZDUSSCGKSA-N	-1	0	347.802	3.014	50	0		EGAARM
Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1Cc1ccccc1Cl	ZINC000100129106	454464122	/nfs/dbraw/zinc/46/41/22/454464122.db2.gz	GKVPPGBOQFSZGC-AWEZNQCLSA-N	-1	0	328.803	3.328	50	0		EGAARM
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2	ZINC000065365477	454554052	/nfs/dbraw/zinc/55/40/52/454554052.db2.gz	UFUIJJUXBILROO-MRXNPFEDSA-N	-1	0	347.374	3.353	50	0		EGAARM
Cc1ccccc1Cc1c(C(=O)[O-])c(=O)cc(C)n1Cc1ccncc1	ZINC000299783907	456781223	/nfs/dbraw/zinc/78/12/23/456781223.db2.gz	RHKFELAHQCAACB-UHFFFAOYSA-N	-1	0	348.402	3.197	50	0		EGAARM
Cc1cc(C(=O)N2Cc3[nH]c4ccccc4c3C[C@H]2C(=O)[O-])c(C)o1	ZINC000426556038	457853580	/nfs/dbraw/zinc/85/35/80/457853580.db2.gz	SCALNWDWRKHRNR-KRWDZBQOSA-N	-1	0	338.363	3.029	50	0		EGAARM
COc1ccc(Cl)cc1-c1ccc(C[C@H](NC(C)=O)C(=O)[O-])cc1	ZINC000534590887	459335888	/nfs/dbraw/zinc/33/58/88/459335888.db2.gz	QNRCPGSYYBGDLU-INIZCTEOSA-N	-1	0	347.798	3.147	50	0		EGAARM
Cc1cc(S(=O)(=O)[N-]c2ncccc2C)ccc1Br	ZINC000037384341	472012133	/nfs/dbraw/zinc/01/21/33/472012133.db2.gz	QIGAQXDILWALAQ-UHFFFAOYSA-N	-1	0	341.230	3.262	50	0		EGAARM
O=C(NC[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc([C@H]2CCCO2)s1	ZINC000244574772	526619150	/nfs/dbraw/zinc/61/91/50/526619150.db2.gz	CRFZOPGKWCPSSH-JHJVBQTASA-N	-1	0	337.441	3.220	50	0		EGAARM
C[C@@H]1Cc2cccc3c2n1c(=O)c(C(=O)Nc1ccc(F)cc1)c3[O-]	ZINC000200459140	564013751	/nfs/dbraw/zinc/01/37/51/564013751.db2.gz	PWVOIVZUSCQBQR-SNVBAGLBSA-N	-1	0	338.338	3.216	50	0		EGAARM
O=C([O-])c1c(NC[C@H]2CC[C@H](CO)CC2)noc1-c1ccccc1	ZINC001704336292	1416448213	/nfs/dbraw/zinc/44/82/13/1416448213.db2.gz	FORUCUIAJIUOLA-JOCQHMNTSA-N	-1	0	330.384	3.250	50	0		EGAARM
C[C@]1(c2ccccc2)CCCN(C(=O)c2ccccc2-c2nn[n-]n2)C1	ZINC000091440602	1423414208	/nfs/dbraw/zinc/41/42/08/1423414208.db2.gz	HWQXAQMIUCOWQV-FQEVSTJZSA-N	-1	0	347.422	3.061	50	0		EGAARM
CCOC(=O)c1cc(C)sc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000002759330	209903671	/nfs/dbraw/zinc/90/36/71/209903671.db2.gz	UBWCQYVHYWIVBZ-MNOVXSKESA-N	-1	0	339.413	3.063	50	0		EGAARM
CCCN1CNc2c(c(=O)[n-]c(=S)n2-c2cccc(Cl)c2)C1	ZINC000019939132	202027979	/nfs/dbraw/zinc/02/79/79/202027979.db2.gz	XLSAGAHRYVBVDZ-UHFFFAOYSA-N	-1	0	336.848	3.143	50	0		EGAARM
O=C([O-])C[C@@H](c1ccccc1F)n1cccc1C(=O)C(F)(F)F	ZINC000012959126	304074622	/nfs/dbraw/zinc/07/46/22/304074622.db2.gz	RULIAJPAYIIMQG-LBPRGKRZSA-N	-1	0	329.249	3.436	50	0		EGAARM
O=C([O-])Cc1c(F)cc(Br)c(Br)c1F	ZINC000263625080	304087868	/nfs/dbraw/zinc/08/78/68/304087868.db2.gz	WNPQERPJLFNXCE-UHFFFAOYSA-N	-1	0	329.922	3.117	50	0		EGAARM
Cc1c(NC(=O)C2CC2)cccc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC000036567639	202325913	/nfs/dbraw/zinc/32/59/13/202325913.db2.gz	GUKQZJKMDIRQPF-ZIAGYGMSSA-N	-1	0	344.411	3.173	50	0		EGAARM
CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)[O-])cc2)cc1	ZINC000000258677	201453551	/nfs/dbraw/zinc/45/35/51/201453551.db2.gz	DJHQDSIEHWQOEJ-UHFFFAOYSA-N	-1	0	347.436	3.161	50	0		EGAARM
COc1ccc(-c2cc(=O)oc3cc(O[C@H](C)C(=O)[O-])ccc32)cc1	ZINC000004700981	201613420	/nfs/dbraw/zinc/61/34/20/201613420.db2.gz	GRCOJEJDUKRHCS-LLVKDONJSA-N	-1	0	340.331	3.321	50	0	biogenic	EGAARM
C[C@@]12CC(=O)[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1CC[C@H]2C(=O)[O-]	ZINC000253591337	244028536	/nfs/dbraw/zinc/02/85/36/244028536.db2.gz	QAANIDZFOKGZHZ-GOHZNODWSA-N	-1	0	334.456	3.270	50	0		EGAARM
C[C@]12CC(=O)[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1CC[C@H]2C(=O)[O-]	ZINC000253591339	244028572	/nfs/dbraw/zinc/02/85/72/244028572.db2.gz	QAANIDZFOKGZHZ-LPIUDUMJSA-N	-1	0	334.456	3.270	50	0		EGAARM
O=C([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1	ZINC000020265321	212114431	/nfs/dbraw/zinc/11/44/31/212114431.db2.gz	GRQSYNDBXRCRKH-UHFFFAOYSA-N	-1	0	346.191	3.492	50	0		EGAARM
COc1ccc(-n2ccnc2-c2cnc(C(C)C)nc2)cc1C(=O)[O-]	ZINC000072421997	203220695	/nfs/dbraw/zinc/22/06/95/203220695.db2.gz	FOXUJDDAZZFTQL-UHFFFAOYSA-N	-1	0	338.367	3.160	50	0		EGAARM
CC(C)(C)OC(=O)N1CCC[C@H](c2cccc(CCC(=O)[O-])n2)C1	ZINC000074941248	203297734	/nfs/dbraw/zinc/29/77/34/203297734.db2.gz	MNFMJMZXQVKADH-ZDUSSCGKSA-N	-1	0	334.416	3.213	50	0		EGAARM
Cc1cc(N2CCC[C@H](c3ncc[nH]3)C2)nc(-c2ccccc2[O-])n1	ZINC000077385604	203384819	/nfs/dbraw/zinc/38/48/19/203384819.db2.gz	SAFZIWNUZBXPSC-AWEZNQCLSA-N	-1	0	335.411	3.265	50	0		EGAARM
Cc1cc(N2CCC[C@@H](c3ncc[nH]3)C2)nc(-c2ccccc2[O-])n1	ZINC000077385607	203384979	/nfs/dbraw/zinc/38/49/79/203384979.db2.gz	SAFZIWNUZBXPSC-CQSZACIVSA-N	-1	0	335.411	3.265	50	0		EGAARM
CCOc1ccc(-c2ccnc(N[C@@H](C)C3CC3)n2)cc1C(=O)[O-]	ZINC000077379215	203385365	/nfs/dbraw/zinc/38/53/65/203385365.db2.gz	BRKQUKNCMFPQTC-NSHDSACASA-N	-1	0	327.384	3.451	50	0		EGAARM
COc1ccc(C(=O)C=C([O-])c2ccc(OC)cc2OC)c(OC)c1	ZINC000100778284	203997630	/nfs/dbraw/zinc/99/76/30/203997630.db2.gz	KWBFJDUJUZGKQY-UHFFFAOYSA-N	-1	0	344.363	3.177	50	0		EGAARM
CC(C)c1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)cc1	ZINC000101417288	204006250	/nfs/dbraw/zinc/00/62/50/204006250.db2.gz	KRFUMRWDJXJWDX-ROUUACIJSA-N	-1	0	348.406	3.303	50	0		EGAARM
CSCC[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)[O-]	ZINC000002425785	206387319	/nfs/dbraw/zinc/38/73/19/206387319.db2.gz	LIOIRKVULFDPGZ-JTQLQIEISA-N	-1	0	336.335	3.033	50	0		EGAARM
Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000005065598	206500138	/nfs/dbraw/zinc/50/01/38/206500138.db2.gz	SJRCFHXMOWBVPM-UHFFFAOYSA-N	-1	0	335.743	3.070	50	0		EGAARM
O=C([O-])c1cnc2cc(C(F)(F)F)cc(C(F)(F)F)c2c1O	ZINC000002562238	304218570	/nfs/dbraw/zinc/21/85/70/304218570.db2.gz	DCWNMQCUGHBNRZ-UHFFFAOYSA-N	-1	0	325.164	3.264	50	0		EGAARM
CC[C@@]1(C)Cc2ccccc2-c2nc3[n-]nc(SC)n3c(=O)c21	ZINC000101011954	287429028	/nfs/dbraw/zinc/42/90/28/287429028.db2.gz	IDAIYOGKTHRVKA-KRWDZBQOSA-N	-1	0	326.425	3.030	50	0		EGAARM
COc1cc2cccc3c2c(c1)C(=O)N(c1cccc(C(=O)[O-])c1)C3=O	ZINC000005555511	295044160	/nfs/dbraw/zinc/04/41/60/295044160.db2.gz	YTAKRDBORYBGEQ-UHFFFAOYSA-N	-1	0	347.326	3.347	50	0		EGAARM
COc1ccc(C[C@@H](C(=O)[O-])[C@H](C)C(=O)Nc2ccccc2)cc1	ZINC000071405928	295135777	/nfs/dbraw/zinc/13/57/77/295135777.db2.gz	VYOUWCFUUPZHJQ-SUMWQHHRSA-N	-1	0	327.380	3.213	50	0		EGAARM
COc1ccc(N2C(=O)CC[C@H](C(=O)[O-])[C@@H]2c2ccccc2)cc1	ZINC000004092475	295155387	/nfs/dbraw/zinc/15/53/87/295155387.db2.gz	MNYJLXJYIKCRFL-WMZOPIPTSA-N	-1	0	325.364	3.264	50	0		EGAARM
CC(C)C[C@@H](Nc1ncnc2ccc(Br)cc21)C(=O)[O-]	ZINC000000065026	452495712	/nfs/dbraw/zinc/49/57/12/452495712.db2.gz	CGVJSCOXEHOOCG-GFCCVEGCSA-N	-1	0	338.205	3.304	50	0		EGAARM
CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(F)cc2)cc1	ZINC000000116251	452512909	/nfs/dbraw/zinc/51/29/09/452512909.db2.gz	SZJQDUPPRYXDFZ-MRXNPFEDSA-N	-1	0	331.343	3.170	50	0		EGAARM
Cc1ccccc1NC(=O)c1cccc(NC(=O)CCC(=O)[O-])c1	ZINC000000243215	452546022	/nfs/dbraw/zinc/54/60/22/452546022.db2.gz	JPNGZTYUIDWKCY-UHFFFAOYSA-N	-1	0	326.352	3.051	50	0		EGAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(Br)s2)c1	ZINC000000471053	452602700	/nfs/dbraw/zinc/60/27/00/452602700.db2.gz	BAVMKZCRUOAQCO-UHFFFAOYSA-N	-1	0	333.232	3.015	50	0		EGAARM
CCc1ccccc1NC(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1	ZINC000000482327	452605702	/nfs/dbraw/zinc/60/57/02/452605702.db2.gz	ZQTYQNAGLOQABI-UHFFFAOYSA-N	-1	0	340.379	3.305	50	0		EGAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=S)Nc1ccccc1	ZINC000000504287	452608696	/nfs/dbraw/zinc/60/86/96/452608696.db2.gz	YBAKORVMEGFXQE-INIZCTEOSA-N	-1	0	339.420	3.150	50	0		EGAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(SC)cc2)c1	ZINC000000581193	452628144	/nfs/dbraw/zinc/62/81/44/452628144.db2.gz	KHKINSFQHMMKAG-UHFFFAOYSA-N	-1	0	339.438	3.227	50	0		EGAARM
Cc1ccc(C(=O)Nc2cccc(NC(=O)CCC(=O)[O-])c2)cc1	ZINC000000993274	452641415	/nfs/dbraw/zinc/64/14/15/452641415.db2.gz	CALMNTUTQSMIFH-UHFFFAOYSA-N	-1	0	326.352	3.051	50	0		EGAARM
CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1	ZINC000002379440	452695343	/nfs/dbraw/zinc/69/53/43/452695343.db2.gz	ZAMLGGRVTAXBHI-LLVKDONJSA-N	-1	0	344.205	3.490	50	0		EGAARM
Cc1ccccc1Cn1ccc([N-]S(=O)(=O)c2cccs2)n1	ZINC000002780414	452723047	/nfs/dbraw/zinc/72/30/47/452723047.db2.gz	BPTDZHUKGYMKEU-UHFFFAOYSA-N	-1	0	333.438	3.102	50	0		EGAARM
CCCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccs2)cc1	ZINC000003623714	452785220	/nfs/dbraw/zinc/78/52/20/452785220.db2.gz	ZFAQWHOUXQXPII-CQSZACIVSA-N	-1	0	333.409	3.483	50	0		EGAARM
O=S(=O)([N-]c1nc2ccccc2nc1Cl)c1cccs1	ZINC000003888455	452787830	/nfs/dbraw/zinc/78/78/30/452787830.db2.gz	QBQLVTHNNAKGRB-UHFFFAOYSA-N	-1	0	325.802	3.146	50	0		EGAARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000004205294	452796710	/nfs/dbraw/zinc/79/67/10/452796710.db2.gz	CPOZZGCEUIQCFV-FAKMSMKASA-N	-1	0	327.424	3.015	50	0		EGAARM
Cc1ccc(Cc2n[n-]c(Nc3ccc(Cl)cc3)nc2=O)cc1	ZINC000005154507	452840459	/nfs/dbraw/zinc/84/04/59/452840459.db2.gz	GCNLCSZHWCCHSQ-UHFFFAOYSA-N	-1	0	326.787	3.461	50	0		EGAARM
CCOc1ccccc1Nc1nnc(Cc2ccc(C)cc2)c(=O)[n-]1	ZINC000005154392	452840528	/nfs/dbraw/zinc/84/05/28/452840528.db2.gz	LBWWUCUWODDPFZ-UHFFFAOYSA-N	-1	0	336.395	3.206	50	0		EGAARM
O=C1[N-]C(=O)/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)N1	ZINC000005673395	452893825	/nfs/dbraw/zinc/89/38/25/452893825.db2.gz	CTEYVWBQLGJNHH-CXUHLZMHSA-N	-1	0	335.338	3.009	50	0		EGAARM
COc1ccc2c([O-])c(-c3ccc4c(c3)OCCCO4)c(=O)oc2c1	ZINC000005729828	452899223	/nfs/dbraw/zinc/89/92/23/452899223.db2.gz	JPSKDVSERPQKOI-UHFFFAOYSA-N	-1	0	340.331	3.336	50	0		EGAARM
O=C([O-])c1ccccc1N[C@H]1SC(=O)N(Cc2ccccc2)C1=O	ZINC000006590767	452958920	/nfs/dbraw/zinc/95/89/20/452958920.db2.gz	LAAOCNMXKBSXQM-AWEZNQCLSA-N	-1	0	342.376	3.018	50	0		EGAARM
COC(=O)c1sccc1S(=O)(=O)[N-]c1cc(Cl)ccc1C	ZINC000006916780	453008446	/nfs/dbraw/zinc/00/84/46/453008446.db2.gz	HMHKNMVVELGVKG-UHFFFAOYSA-N	-1	0	345.829	3.297	50	0		EGAARM
O=c1cc(CSc2ccccn2)[n-]n1-c1nc2ccccc2s1	ZINC000009192411	453246442	/nfs/dbraw/zinc/24/64/42/453246442.db2.gz	WNYOXEZLRPDBQH-UHFFFAOYSA-N	-1	0	340.433	3.463	50	0		EGAARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cn2)cc1C	ZINC000013947752	453493826	/nfs/dbraw/zinc/49/38/26/453493826.db2.gz	OCSWGAWFISKXGC-UHFFFAOYSA-N	-1	0	341.230	3.262	50	0		EGAARM
Cc1cccc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)c1C	ZINC000014632462	453540106	/nfs/dbraw/zinc/54/01/06/453540106.db2.gz	TWXSIXCMECBNHX-KBPBESRZSA-N	-1	0	335.400	3.145	50	0		EGAARM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1	ZINC000016101417	453594618	/nfs/dbraw/zinc/59/46/18/453594618.db2.gz	ROYPAXUFEVGUGH-UHFFFAOYSA-N	-1	0	333.743	3.428	50	0		EGAARM
Cc1cc(=O)oc2cc(NC(=O)CC3(C(=O)[O-])CCCC3)ccc12	ZINC000016480050	453609342	/nfs/dbraw/zinc/60/93/42/453609342.db2.gz	DXZCEMMFUZGRTG-UHFFFAOYSA-N	-1	0	329.352	3.075	50	0		EGAARM
CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1	ZINC000039971422	453945888	/nfs/dbraw/zinc/94/58/88/453945888.db2.gz	MGZPOJUIZLPGRV-UHFFFAOYSA-N	-1	0	327.764	3.483	50	0		EGAARM
CCc1nc2sc(C)cc2c(N[C@@H](CCSC)C(=O)[O-])n1	ZINC000041090717	453955553	/nfs/dbraw/zinc/95/55/53/453955553.db2.gz	GQVWMXWNJACJCQ-JTQLQIEISA-N	-1	0	325.459	3.180	50	0		EGAARM
Cc1cc(C)cc(CSCc2nc(C3CC3)nn2CC(=O)[O-])c1	ZINC000097655407	454442240	/nfs/dbraw/zinc/44/22/40/454442240.db2.gz	IPAKPIVAGPCOMR-UHFFFAOYSA-N	-1	0	331.441	3.290	50	0		EGAARM
CCCC([O-])=C1C(=O)C[C@H](c2ccccc2)[C@@H](c2cc(C)no2)C1=O	ZINC000248149749	455688412	/nfs/dbraw/zinc/68/84/12/455688412.db2.gz	GNWCSCDSDBRSKW-MDASCCDHSA-N	-1	0	339.391	3.378	50	0		EGAARM
Cn1cc(C(=O)[O-])c(C(=O)Nc2ccccc2Oc2ccccc2)n1	ZINC000020614911	1291194331	/nfs/dbraw/zinc/19/43/31/1291194331.db2.gz	RYKGSMFAJSWERW-UHFFFAOYSA-N	-1	0	337.335	3.163	50	0		EGAARM
CN(C[C@@H]1CCCO1)c1noc(-c2ccc(Cl)cc2)c1C(=O)[O-]	ZINC001704331288	1416446147	/nfs/dbraw/zinc/44/61/47/1416446147.db2.gz	QFWKBSJCDQVVTA-LBPRGKRZSA-N	-1	0	336.775	3.308	50	0		EGAARM
COc1ccc(-c2nccn2-c2ccc3c(c2)COC3)cc1C(=O)[O-]	ZINC001772806272	1441417416	/nfs/dbraw/zinc/41/74/16/1441417416.db2.gz	AUILIBNIPJPXJX-UHFFFAOYSA-N	-1	0	336.347	3.276	50	0		EGAARM
O=C([O-])C1=CN(c2ccc(C(F)(F)F)cc2)O[C@H]1C(F)(F)F	ZINC000030696573	304035666	/nfs/dbraw/zinc/03/56/66/304035666.db2.gz	QTDVBTNPXNKFTI-SECBINFHSA-N	-1	0	327.180	3.356	50	0		EGAARM
O=C([O-])[C@H]1CCCN(C(=O)CCn2ccc3ccc(Cl)cc32)C1	ZINC000040267665	213285993	/nfs/dbraw/zinc/28/59/93/213285993.db2.gz	CYWLUQLDMBNFDG-ZDUSSCGKSA-N	-1	0	334.803	3.008	50	0		EGAARM
CCCN1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1	ZINC000000070010	283315987	/nfs/dbraw/zinc/31/59/87/283315987.db2.gz	VQZMBKSKJMYQOE-MSOLQXFVSA-N	-1	0	339.391	3.471	50	0		EGAARM
O=C([O-])C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[C@H]1CCCO1	ZINC000000333482	304073349	/nfs/dbraw/zinc/07/33/49/304073349.db2.gz	CTUIWXAHWPJHFP-BXKDBHETSA-N	-1	0	332.183	3.202	50	0		EGAARM
O=C([O-])C[C@H]1COc2ccccc2N1C(=O)c1ccccc1Cl	ZINC000004003651	304085609	/nfs/dbraw/zinc/08/56/09/304085609.db2.gz	UKBQVLNEOLPVSM-NSHDSACASA-N	-1	0	331.755	3.223	50	0		EGAARM
Cc1cc(C(=O)[O-])c2c(=O)[nH]c(=S)n(-c3cccc(C)c3C)c2n1	ZINC000036617295	202327410	/nfs/dbraw/zinc/32/74/10/202327410.db2.gz	JFTPSBQBVKUMNL-UHFFFAOYSA-N	-1	0	341.392	3.067	50	0		EGAARM
CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc1	ZINC000005234576	201361381	/nfs/dbraw/zinc/36/13/81/201361381.db2.gz	SHXVGWWZXXDPJK-UHFFFAOYSA-N	-1	0	349.408	3.189	50	0		EGAARM
COc1cc([N-]S(=O)(=O)c2ccccc2)c(OC)cc1Cl	ZINC000000102248	201434381	/nfs/dbraw/zinc/43/43/81/201434381.db2.gz	DLBRNLJHRWXVHR-UHFFFAOYSA-N	-1	0	327.789	3.158	50	0		EGAARM
CCCCN(Cc1cccnc1)C(=O)c1c(C)[nH]c(C(=O)[O-])c1C	ZINC000215663153	241138057	/nfs/dbraw/zinc/13/80/57/241138057.db2.gz	CCYKKSFLDZCNKU-UHFFFAOYSA-N	-1	0	329.400	3.167	50	0		EGAARM
O=C([O-])c1ccc(-c2nnn(Cc3ccc(Cl)cc3Cl)n2)cc1	ZINC000000617381	201491343	/nfs/dbraw/zinc/49/13/43/201491343.db2.gz	OHDBXNWMBVFRHX-UHFFFAOYSA-N	-1	0	349.177	3.393	50	0		EGAARM
Cc1cccc(C(=O)N[C@@H](C(=O)[O-])C23CC4CC(CC(C4)C2)C3)c1	ZINC000004185745	201593367	/nfs/dbraw/zinc/59/33/67/201593367.db2.gz	LXUPKNGVKLDZJH-SOZFHFLDSA-N	-1	0	327.424	3.394	50	0		EGAARM
O=C([O-])C[C@H](NCc1ccco1)C(=O)Nc1cccc2ccccc21	ZINC000004978204	201630330	/nfs/dbraw/zinc/63/03/30/201630330.db2.gz	DUMYYKDOBNNQNI-KRWDZBQOSA-N	-1	0	338.363	3.004	50	0		EGAARM
O=C([O-])Cc1ccc(NC(=S)NCc2ccc(Cl)cc2)cc1	ZINC000005042084	201635885	/nfs/dbraw/zinc/63/58/85/201635885.db2.gz	HZPDSBNDTLVIMV-UHFFFAOYSA-N	-1	0	334.828	3.454	50	0		EGAARM
O=C([O-])[C@@]1(CCOc2ccccc2)CCCN(c2nccs2)C1	ZINC000071748842	203106390	/nfs/dbraw/zinc/10/63/90/203106390.db2.gz	UNEQKTOYKKKASF-QGZVFWFLSA-N	-1	0	332.425	3.283	50	0		EGAARM
O=C([O-])c1nccnc1C(=O)Nc1ccc2c(c1)oc1ccccc12	ZINC000072401999	203215157	/nfs/dbraw/zinc/21/51/57/203215157.db2.gz	IWCYOELHASOCPT-UHFFFAOYSA-N	-1	0	333.303	3.327	50	0		EGAARM
CC1(CCC(=O)N2CCC(Oc3ccccc3F)(C(=O)[O-])CC2)CC1	ZINC000072407322	203215549	/nfs/dbraw/zinc/21/55/49/203215549.db2.gz	MITBCJCIIPWLKM-UHFFFAOYSA-N	-1	0	349.402	3.231	50	0		EGAARM
O=C([O-])[C@@H]1c2[nH]cnc2CCN1Cc1cccc(Oc2ccccc2)c1	ZINC000072420488	203220266	/nfs/dbraw/zinc/22/02/66/203220266.db2.gz	NNFDSFKHWCJJCI-IBGZPJMESA-N	-1	0	349.390	3.386	50	0		EGAARM
O=C([O-])c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2	ZINC000000054304	304229970	/nfs/dbraw/zinc/22/99/70/304229970.db2.gz	FOEPEPMBSAXCJM-KOLCDFICSA-N	-1	0	329.253	3.381	50	0		EGAARM
CN(C)c1ccc(-c2noc(-c3cc4ccc([O-])cc4oc3=O)n2)cc1	ZINC000012540132	273820900	/nfs/dbraw/zinc/82/09/00/273820900.db2.gz	HOUDYHXFHFRYPR-UHFFFAOYSA-N	-1	0	349.346	3.282	50	0		EGAARM
COc1ccc(-c2nc3ccc(C(=O)[O-])cn3c2Br)cc1	ZINC000004025168	295049470	/nfs/dbraw/zinc/04/94/70/295049470.db2.gz	ROHHFUJEMPIBHP-UHFFFAOYSA-N	-1	0	347.168	3.471	50	0		EGAARM
COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)[O-])c3N2)cc1	ZINC000000226845	295250532	/nfs/dbraw/zinc/25/05/32/295250532.db2.gz	NTXNGOHFEKXPCS-VXGBXAGGSA-N	-1	0	341.289	3.250	50	0		EGAARM
Cc1cc(=O)oc2c1ccc1c2CN(c2cccc(C(=O)[O-])c2)CO1	ZINC000040486304	301068525	/nfs/dbraw/zinc/06/85/25/301068525.db2.gz	LIYGBVYTTXRTQC-UHFFFAOYSA-N	-1	0	337.331	3.156	50	0		EGAARM
COC(=O)c1sc(-c2cccs2)cc1NC(=O)CCC(=O)[O-]	ZINC000000119314	452512653	/nfs/dbraw/zinc/51/26/53/452512653.db2.gz	OOXNTNQHHKBNMZ-UHFFFAOYSA-N	-1	0	339.394	3.067	50	0		EGAARM
COc1ccc(OC)c(NC(=O)[C@H]2CC[C@@](C)(C(=O)[O-])C2(C)C)c1	ZINC000000339837	452566722	/nfs/dbraw/zinc/56/67/22/452566722.db2.gz	FDXWBDFSWCCKEG-XIKOKIGWSA-N	-1	0	335.400	3.169	50	0		EGAARM
O=C([O-])CCCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1	ZINC000000367426	452572029	/nfs/dbraw/zinc/57/20/29/452572029.db2.gz	GFVWKBNPDPQJFQ-LBPRGKRZSA-N	-1	0	332.381	3.274	50	0		EGAARM
CC(C)(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2)c(O)c1	ZINC000000396454	452578643	/nfs/dbraw/zinc/57/86/43/452578643.db2.gz	DHPPQUIAGZDEOX-UHFFFAOYSA-N	-1	0	348.424	3.178	50	0		EGAARM
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Br)cc1F	ZINC000000474116	452602473	/nfs/dbraw/zinc/60/24/73/452602473.db2.gz	TVJRALFTRVPIBO-VHSXEESVSA-N	-1	0	344.180	3.418	50	0		EGAARM
Cc1ccc(NC(=O)c2cccc(NC(=O)CCC(=O)[O-])c2)cc1C	ZINC000000482334	452606664	/nfs/dbraw/zinc/60/66/64/452606664.db2.gz	IARLLSRCUYMHIM-UHFFFAOYSA-N	-1	0	340.379	3.359	50	0		EGAARM
O=C(NC1CCCC1)c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000000571605	452625403	/nfs/dbraw/zinc/62/54/03/452625403.db2.gz	LYWLGKRHYWSATE-UHFFFAOYSA-N	-1	0	344.436	3.160	50	0		EGAARM
O=C([O-])c1ccc(NC(=O)Cn2nc(C(F)F)cc2C2CC2)cc1	ZINC000002732835	452717787	/nfs/dbraw/zinc/71/77/87/452717787.db2.gz	KPXCTSJQJIJIKW-UHFFFAOYSA-N	-1	0	335.310	3.035	50	0		EGAARM
CCCCOc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)[O-])cc1	ZINC000002918285	452735851	/nfs/dbraw/zinc/73/58/51/452735851.db2.gz	KMBLGUCRHJGTHR-FOWTUZBSSA-N	-1	0	329.352	3.314	50	0		EGAARM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CC12CC3CC(CC(C3)C1)C2	ZINC000003866363	452785588	/nfs/dbraw/zinc/78/55/88/452785588.db2.gz	KGZGOFICHUPWBA-IGDKPHCXSA-N	-1	0	341.451	3.405	50	0		EGAARM
CC(C)C[C@@H](NC(=O)Nc1cccc(Br)c1)C(=O)[O-]	ZINC000005354102	452862597	/nfs/dbraw/zinc/86/25/97/452862597.db2.gz	JPALHBUKDNYXFY-LLVKDONJSA-N	-1	0	329.194	3.070	50	0		EGAARM
COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1S(=O)(=O)[O-]	ZINC000005361310	452863038	/nfs/dbraw/zinc/86/30/38/452863038.db2.gz	LWGJGACMJWOCTR-GXDHUFHOSA-N	-1	0	344.388	3.154	50	0		EGAARM
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCC(Cc2ccccc2)CC1	ZINC000006338641	452937756	/nfs/dbraw/zinc/93/77/56/452937756.db2.gz	XOKBMWSDZRZJOZ-ZWKOTPCHSA-N	-1	0	329.440	3.359	50	0		EGAARM
Cc1cc(S(=O)(=O)[N-]c2cccnc2)c(C)cc1Br	ZINC000006706991	452976003	/nfs/dbraw/zinc/97/60/03/452976003.db2.gz	CQVMUCAMSHTHGJ-UHFFFAOYSA-N	-1	0	341.230	3.262	50	0		EGAARM
COC(=O)c1[n-]c(=NC(=O)OC(C)(C)C)sc1Br	ZINC000008698468	453222566	/nfs/dbraw/zinc/22/25/66/453222566.db2.gz	BUOGHUPVVLMNNM-UHFFFAOYSA-N	-1	0	337.195	3.039	50	0		EGAARM
Cc1cc(C)c2oc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc(=O)c2c1	ZINC000011689975	453330995	/nfs/dbraw/zinc/33/09/95/453330995.db2.gz	ADBQNELWGIZAQX-UHFFFAOYSA-N	-1	0	337.331	3.360	50	0		EGAARM
C[C@@H](c1ccccc1)n1c(SCC(=O)[O-])nnc1-c1cccnc1	ZINC000067788131	453966152	/nfs/dbraw/zinc/96/61/52/453966152.db2.gz	MSNZJQLFLWOZNE-LBPRGKRZSA-N	-1	0	340.408	3.126	50	0		EGAARM
Cc1cc(CN(C)[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)on1	ZINC000095361724	454196772	/nfs/dbraw/zinc/19/67/72/454196772.db2.gz	AELVMBJKUYCWIX-CYBMUJFWSA-N	-1	0	328.290	3.260	50	0		EGAARM
O=C([O-])c1cccc(C[C@@H]2CCN(C(=O)Cc3cccs3)C2)c1	ZINC000095376697	454199374	/nfs/dbraw/zinc/19/93/74/454199374.db2.gz	SBOMQJXYYBVIGD-AWEZNQCLSA-N	-1	0	329.421	3.080	50	0		EGAARM
COc1cccc(OC[C@@H]2CCCN(c3ccc(C(=O)[O-])cn3)C2)c1	ZINC000095498123	454221153	/nfs/dbraw/zinc/22/11/53/454221153.db2.gz	YGHXNXFVZAKTTJ-CQSZACIVSA-N	-1	0	342.395	3.084	50	0		EGAARM
COc1ccc(C2(c3nc(C4CCCC4)nn3CC(=O)[O-])CC2)cc1	ZINC000097610076	454441695	/nfs/dbraw/zinc/44/16/95/454441695.db2.gz	WYYBAHYYKCDWMG-UHFFFAOYSA-N	-1	0	341.411	3.109	50	0		EGAARM
COCCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(Cl)cc2)C1	ZINC000091635672	454454319	/nfs/dbraw/zinc/45/43/19/454454319.db2.gz	FWKMUUTXBQMSFZ-QGZVFWFLSA-N	-1	0	339.819	3.074	50	0		EGAARM
CCn1nc(C)c2[n-]c(=S)n(Cc3ccc(Cl)cc3)c(=O)c21	ZINC000100028510	454463884	/nfs/dbraw/zinc/46/38/84/454463884.db2.gz	UJEJYUQWMIUGNE-UHFFFAOYSA-N	-1	0	334.832	3.286	50	0		EGAARM
Cc1ccc(-c2ccc(C(=O)[O-])c(N3C[C@@H](C)[C@@](C)(O)C3)n2)s1	ZINC000091769348	454468751	/nfs/dbraw/zinc/46/87/51/454468751.db2.gz	FYRPZWUZLCZGBM-QGHHPUGFSA-N	-1	0	332.425	3.024	50	0		EGAARM
CCCn1cc(C(=O)N2CCC[C@@](CC=C(C)C)(C(=O)[O-])C2)c(C)n1	ZINC000092077104	454517723	/nfs/dbraw/zinc/51/77/23/454517723.db2.gz	AFINDYGIMCPVHM-IBGZPJMESA-N	-1	0	347.459	3.265	50	0		EGAARM
Cc1noc(C)c1[C@@H](C)CC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000669434408	461675177	/nfs/dbraw/zinc/67/51/77/461675177.db2.gz	REUAWLKWYVSOFE-NHYWBVRUSA-N	-1	0	342.395	3.390	50	0		EGAARM
Cc1ccc2ncccc2c1CNC(=O)[C@H](C(=O)[O-])C1CCCCC1	ZINC000299764296	526258979	/nfs/dbraw/zinc/25/89/79/526258979.db2.gz	RJEDRILSUROKQB-GOSISDBHSA-N	-1	0	340.423	3.441	50	0		EGAARM
Cc1ccoc1CNc1nnc([C@H]2CCN(C(=O)OC(C)(C)C)C2)o1	ZINC000685942172	550456466	/nfs/dbraw/zinc/45/64/66/550456466.db2.gz	FNXQOQCQCFNBJP-LBPRGKRZSA-N	-1	0	348.403	3.308	50	0		EGAARM
COc1ccc(-c2onc(NCCC[C@@H]3CCOC3)c2C(=O)[O-])cc1	ZINC001704325280	1416444389	/nfs/dbraw/zinc/44/43/89/1416444389.db2.gz	LIAKUNDDFRNMEC-GFCCVEGCSA-N	-1	0	346.383	3.277	50	0		EGAARM
CCc1ccc(-c2c(-c3ccccc3)ncn2CCc2nnn[n-]2)o1	ZINC000065375412	1423760105	/nfs/dbraw/zinc/76/01/05/1423760105.db2.gz	YLVSEDDJMPOXRF-UHFFFAOYSA-N	-1	0	334.383	3.128	50	0		EGAARM
CCCCOc1cccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1	ZINC000006741949	1423875671	/nfs/dbraw/zinc/87/56/71/1423875671.db2.gz	AJZZGTJXDHUEJP-UHFFFAOYSA-N	-1	0	337.383	3.298	50	0		EGAARM
Cc1cccc(C[C@@H](C(=O)Nc2ccc(C)cc2C)c2nnn[n-]2)c1	ZINC000006556972	1442248934	/nfs/dbraw/zinc/24/89/34/1442248934.db2.gz	PORWTMVFIHEECL-MRXNPFEDSA-N	-1	0	335.411	3.090	50	0		EGAARM
O=C([O-])CCCn1cc(NC(=O)c2ccc(Cl)c(Cl)c2)cn1	ZINC000004694771	210250880	/nfs/dbraw/zinc/25/08/80/210250880.db2.gz	SBVXOYPHCONKDB-UHFFFAOYSA-N	-1	0	342.182	3.307	50	0		EGAARM
Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)[N-]c1ccccc1	ZINC000036357669	213089041	/nfs/dbraw/zinc/08/90/41/213089041.db2.gz	ZBKADDGYADOTAJ-UHFFFAOYSA-N	-1	0	345.399	3.429	50	0		EGAARM
O=C([O-])CCNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21	ZINC000072401899	216193731	/nfs/dbraw/zinc/19/37/31/216193731.db2.gz	INIQKHQLJUPHCH-UHFFFAOYSA-N	-1	0	338.338	3.245	50	0		EGAARM
O=C([O-])C1(Oc2ccc(F)cc2)CCN(C(=O)C[C@@H]2C=CCC2)CC1	ZINC000072411984	216204243	/nfs/dbraw/zinc/20/42/43/216204243.db2.gz	YXQLDNZDWXQDQG-CQSZACIVSA-N	-1	0	347.386	3.007	50	0		EGAARM
O=C([O-])[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000000056734	209393227	/nfs/dbraw/zinc/39/32/27/209393227.db2.gz	ZPGDWQNBZYOZTI-SFHVURJKSA-N	-1	0	337.375	3.485	50	0		EGAARM
O=C([O-])[C@@]1(Cc2cccc(Cl)c2)CCCN(c2ncccn2)C1	ZINC000071416006	304163388	/nfs/dbraw/zinc/16/33/88/304163388.db2.gz	ULXPSNOJMKKQPV-QGZVFWFLSA-N	-1	0	331.803	3.044	50	0		EGAARM
Cc1nc2[n-]c(C(F)(F)F)nn2c(=O)c1Cc1ccccc1Cl	ZINC000018223180	211991364	/nfs/dbraw/zinc/99/13/64/211991364.db2.gz	RYTAJTLCPDXBCC-UHFFFAOYSA-N	-1	0	342.708	3.401	50	0		EGAARM
CC(C)OC(=O)c1ccsc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000017071109	211952191	/nfs/dbraw/zinc/95/21/91/211952191.db2.gz	XIUMCHZIBTZQMA-QWRGUYRKSA-N	-1	0	339.413	3.143	50	0		EGAARM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1cc(Cl)ccc1Cl	ZINC000004016959	304211409	/nfs/dbraw/zinc/21/14/09/304211409.db2.gz	WDEVWEPSEHQFBI-BCWBERDBSA-N	-1	0	326.179	3.455	50	0		EGAARM
CCn1cc(N2Cc3ccccc3O[C@@H]2CC(C)C)c(C(=O)[O-])n1	ZINC000012397225	211367279	/nfs/dbraw/zinc/36/72/79/211367279.db2.gz	PCFMEKMDBVYODO-MRXNPFEDSA-N	-1	0	329.400	3.372	50	0		EGAARM
CCCCOc1ccc(CNC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1	ZINC000011861715	211259664	/nfs/dbraw/zinc/25/96/64/211259664.db2.gz	OBDXULWYWQKUOZ-IRXDYDNUSA-N	-1	0	333.428	3.373	50	0		EGAARM
O=C([O-])[C@@H]1CN(C(=O)c2cccc3cnccc32)C[C@H]1c1ccccc1	ZINC000091656275	218040531	/nfs/dbraw/zinc/04/05/31/218040531.db2.gz	DNRIJCUQNNZKIM-RBUKOAKNSA-N	-1	0	346.386	3.175	50	0		EGAARM
CC(C)C(=O)Nc1cccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1	ZINC000009231697	211055955	/nfs/dbraw/zinc/05/59/55/211055955.db2.gz	MMZYHOUDUFRKGY-LSDHHAIUSA-N	-1	0	332.400	3.111	50	0		EGAARM
O=C([O-])c1cccc([C@@H]2CCCN(C(=O)COc3ccccc3)C2)c1	ZINC000095359824	218293514	/nfs/dbraw/zinc/29/35/14/218293514.db2.gz	IZYDISRGELTNTM-QGZVFWFLSA-N	-1	0	339.391	3.170	50	0		EGAARM
COc1ccc2cc([C@H](C(=O)[O-])N(C)Cc3ccon3)ccc2c1	ZINC000095374204	218306535	/nfs/dbraw/zinc/30/65/35/218306535.db2.gz	HPVJQHNBIAIPNP-QGZVFWFLSA-N	-1	0	326.352	3.094	50	0		EGAARM
COc1cc(NC(=O)c2ccc(C)c(C)c2)c(C(=O)[O-])cc1OC	ZINC000005077706	210384749	/nfs/dbraw/zinc/38/47/49/210384749.db2.gz	FTDRMQOQPFNLIQ-UHFFFAOYSA-N	-1	0	329.352	3.271	50	0		EGAARM
Cc1ccc(Sc2ccc(N3CCC[C@H](C(=O)[O-])C3)nn2)cc1	ZINC000040478922	132399869	/nfs/dbraw/zinc/39/98/69/132399869.db2.gz	JFZHSSWPEWZTOP-ZDUSSCGKSA-N	-1	0	329.425	3.237	50	0		EGAARM
COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)[O-])c3N2)cc1	ZINC000000226847	295226801	/nfs/dbraw/zinc/22/68/01/295226801.db2.gz	NTXNGOHFEKXPCS-NWDGAFQWSA-N	-1	0	341.289	3.250	50	0		EGAARM
Cc1nc2sc([C@H](c3cccs3)N3CCCCC3)c([O-])n2n1	ZINC000023158167	302685711	/nfs/dbraw/zinc/68/57/11/302685711.db2.gz	LWFPAKCWHMGRMG-LBPRGKRZSA-N	-1	0	334.470	3.442	50	0		EGAARM
COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)[O-])cc1OC	ZINC000000000797	452491306	/nfs/dbraw/zinc/49/13/06/452491306.db2.gz	NZHGWWWHIYHZNX-CSKARUKUSA-N	-1	0	327.336	3.054	50	0	world	EGAARM
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CCC(=O)[O-]	ZINC000000078986	452500939	/nfs/dbraw/zinc/50/09/39/452500939.db2.gz	XZGANOSLDDHUSF-UHFFFAOYSA-N	-1	0	347.392	3.395	50	0		EGAARM
CCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C)cc2)cc1	ZINC000000116248	452512622	/nfs/dbraw/zinc/51/26/22/452512622.db2.gz	ZGZPAUNBYNFRSU-KRWDZBQOSA-N	-1	0	327.380	3.340	50	0		EGAARM
O=C([O-])[C@@H]1CS[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)N1	ZINC000000140196	452516983	/nfs/dbraw/zinc/51/69/83/452516983.db2.gz	ZFRLMTNGSVCZMW-HOTGVXAUSA-N	-1	0	333.384	3.193	50	0		EGAARM
Cc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2C)cc1	ZINC000000359716	452570449	/nfs/dbraw/zinc/57/04/49/452570449.db2.gz	DBXCGCBJQPDJFT-UHFFFAOYSA-N	-1	0	328.393	3.128	50	0		EGAARM
COc1ccc(Cn2c(=O)c3cc(Cl)ccc3[n-]c2=S)cc1	ZINC000000425320	452587522	/nfs/dbraw/zinc/58/75/22/452587522.db2.gz	GESNTSCBWSYKAZ-UHFFFAOYSA-N	-1	0	332.812	3.396	50	0		EGAARM
O=C([O-])c1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000000479711	452604046	/nfs/dbraw/zinc/60/40/46/452604046.db2.gz	WICOSEKIAWUUAV-NTEUORMPSA-N	-1	0	342.738	3.136	50	0		EGAARM
O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Br)cc1F	ZINC000000474118	452604230	/nfs/dbraw/zinc/60/42/30/452604230.db2.gz	TVJRALFTRVPIBO-UWVGGRQHSA-N	-1	0	344.180	3.418	50	0		EGAARM
C[C@@H](NC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3)c1ccccc1	ZINC000001248299	452649268	/nfs/dbraw/zinc/64/92/68/452649268.db2.gz	TWDDSWRFOLEMID-CYBMUJFWSA-N	-1	0	348.402	3.144	50	0		EGAARM
Cc1cc(O[C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)ccc1Cl	ZINC000002760169	452719877	/nfs/dbraw/zinc/71/98/77/452719877.db2.gz	NTPZHOQMUKXCBG-GFCCVEGCSA-N	-1	0	347.798	3.430	50	0		EGAARM
COc1cc2ncnc(Nc3ccc(CC(=O)[O-])cc3)c2cc1OC	ZINC000005511126	452880123	/nfs/dbraw/zinc/88/01/23/452880123.db2.gz	YAWTYNUYRZWXPV-UHFFFAOYSA-N	-1	0	339.351	3.018	50	0		EGAARM
CCOc1ccc([C@H](CC(=O)[O-])N2Cc3ccccc3C2=O)cc1	ZINC000005653381	452891765	/nfs/dbraw/zinc/89/17/65/452891765.db2.gz	GBCSXZOBWJGYOG-KRWDZBQOSA-N	-1	0	325.364	3.257	50	0		EGAARM
Cc1cc([O-])c(C2=NCCS[C@H](c3cccc(O)c3)C2)c(=O)o1	ZINC000005730255	452899914	/nfs/dbraw/zinc/89/99/14/452899914.db2.gz	SJJQRYWCJXFVKU-HNNXBMFYSA-N	-1	0	331.393	3.027	50	0	biogenic	EGAARM
CCOc1ccc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])cc1Cl	ZINC000005906706	452910496	/nfs/dbraw/zinc/91/04/96/452910496.db2.gz	WHXLICCZIDBBHM-GHXNOFRVSA-N	-1	0	339.804	3.383	50	0		EGAARM
Cc1ccc(C(=O)N2[C@H](C(=O)[O-])CS[C@@H]2c2ccccc2)cc1	ZINC000006663721	452965178	/nfs/dbraw/zinc/96/51/78/452965178.db2.gz	KVYGIPWXEZZRSM-DOTOQJQBSA-N	-1	0	327.405	3.336	50	0		EGAARM
COc1ccc(CNc2cc(C(=O)[O-])ccc2C)c(OC)c1OC	ZINC000006701041	452972293	/nfs/dbraw/zinc/97/22/93/452972293.db2.gz	ATHXQTUBMWLCCG-UHFFFAOYSA-N	-1	0	331.368	3.331	50	0		EGAARM
COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1	ZINC000006919557	453008116	/nfs/dbraw/zinc/00/81/16/453008116.db2.gz	JMQGYWZANZCFQZ-UHFFFAOYSA-N	-1	0	333.409	3.397	50	0		EGAARM
Cc1nn(C)cc1-c1cc(C(=O)[O-])n2nc(C)c(-c3ccccc3)c2n1	ZINC000013645131	453476295	/nfs/dbraw/zinc/47/62/95/453476295.db2.gz	RUGMEANCEQSWTD-UHFFFAOYSA-N	-1	0	347.378	3.112	50	0		EGAARM
COc1cc(OC)c(OC)cc1CNc1cc(C(=O)[O-])ccc1C	ZINC000015083745	453556346	/nfs/dbraw/zinc/55/63/46/453556346.db2.gz	CTGFDKMRMNLUEJ-UHFFFAOYSA-N	-1	0	331.368	3.331	50	0		EGAARM
CCc1nnc2c3ccccc3nc(Nc3cccc(C(=O)[O-])c3)n12	ZINC000015728358	453583897	/nfs/dbraw/zinc/58/38/97/453583897.db2.gz	INDKHRIZOIEPIG-UHFFFAOYSA-N	-1	0	333.351	3.282	50	0		EGAARM
CCCCCCNC(C)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O	ZINC000020565910	453667072	/nfs/dbraw/zinc/66/70/72/453667072.db2.gz	HJVWNPMSXAWSIE-JQIJEIRASA-N	-1	0	343.427	3.022	50	0		EGAARM
COc1ccc(-c2noc(-c3c[n-]c4ccccc4c3=O)n2)c(OC)c1	ZINC000075352722	453883874	/nfs/dbraw/zinc/88/38/74/453883874.db2.gz	QWDDETIKKAZBTF-UHFFFAOYSA-N	-1	0	349.346	3.262	50	0		EGAARM
CCOC(=O)c1cc(-c2ccc(OC)cc2)n(CCC(=O)[O-])c1C	ZINC000032919446	453897162	/nfs/dbraw/zinc/89/71/62/453897162.db2.gz	WMVUJDSVGSAIGQ-UHFFFAOYSA-N	-1	0	331.368	3.124	50	0		EGAARM
O=C([O-])CCCCCN1C(=O)CC(c2ccc(Cl)cc2)CC1=O	ZINC000032985367	453899619	/nfs/dbraw/zinc/89/96/19/453899619.db2.gz	FPOZZIWHOBBHHI-UHFFFAOYSA-N	-1	0	337.803	3.218	50	0		EGAARM
Cc1oc([C@@H]2CCCN2C(=O)OCc2ccccc2)nc1C(=O)[O-]	ZINC000034494646	453919422	/nfs/dbraw/zinc/91/94/22/453919422.db2.gz	KTEHJUOQDRVAAC-ZDUSSCGKSA-N	-1	0	330.340	3.155	50	0		EGAARM
Cc1ccc(-c2cc(=O)n(CC(=O)Nc3cccc(C)c3C)[n-]2)cc1	ZINC000049006615	454527954	/nfs/dbraw/zinc/52/79/54/454527954.db2.gz	FPQUSUGFJNTUQY-UHFFFAOYSA-N	-1	0	335.407	3.407	50	0		EGAARM
Cc1c(I)cc(Br)cc1C(=O)[O-]	ZINC000093097631	454681657	/nfs/dbraw/zinc/68/16/57/454681657.db2.gz	MEEJCTGTAAQGIF-UHFFFAOYSA-N	-1	0	340.942	3.060	50	0		EGAARM
Cc1noc(C)c1[C@H](C)CC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21	ZINC000669434406	461675584	/nfs/dbraw/zinc/67/55/84/461675584.db2.gz	REUAWLKWYVSOFE-ABAIWWIYSA-N	-1	0	342.395	3.390	50	0		EGAARM
Cc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)nc1	ZINC000000111399	462542211	/nfs/dbraw/zinc/54/22/11/462542211.db2.gz	GDIMZIOJMARTTP-UHFFFAOYSA-N	-1	0	333.232	3.015	50	0		EGAARM
CCO[C@H](C)CNc1noc(-c2ccc(F)c(OC)c2)c1C(=O)[O-]	ZINC001704312786	1416439105	/nfs/dbraw/zinc/43/91/05/1416439105.db2.gz	AQZVYGGVEPJOLA-SECBINFHSA-N	-1	0	338.335	3.024	50	0		EGAARM
CCCO[C@@H]1CCCN(c2noc(-c3ccccc3)c2C(=O)[O-])C1	ZINC001704336347	1416448225	/nfs/dbraw/zinc/44/82/25/1416448225.db2.gz	GKQQKYVACWYRBF-CQSZACIVSA-N	-1	0	330.384	3.435	50	0		EGAARM
O=C([O-])c1cccc(COc2ccc(CO)cc2Br)c1	ZINC000004653032	210238766	/nfs/dbraw/zinc/23/87/66/210238766.db2.gz	UBAVBVFQDGVYOO-UHFFFAOYSA-N	-1	0	337.169	3.219	50	0		EGAARM
O=C([O-])c1cc(O)ccc1NC(=O)COc1ccc2ccccc2c1	ZINC000004598696	210229125	/nfs/dbraw/zinc/22/91/25/210229125.db2.gz	QOZRHPPYLYQZOM-UHFFFAOYSA-N	-1	0	337.331	3.261	50	0		EGAARM
COc1cccc2cc(-c3nc4cc(C(=O)[O-])ccc4[nH]3)c(=O)oc21	ZINC000004370952	210182539	/nfs/dbraw/zinc/18/25/39/210182539.db2.gz	DKHPSUSCUGLZGL-UHFFFAOYSA-N	-1	0	336.303	3.043	50	0		EGAARM
O=C([O-])c1cc(Br)ccc1NC(=O)Cc1cccs1	ZINC000004171294	210137636	/nfs/dbraw/zinc/13/76/36/210137636.db2.gz	HQYLZSPLZPDUDZ-UHFFFAOYSA-N	-1	0	340.198	3.390	50	0		EGAARM
COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC000003997618	210096958	/nfs/dbraw/zinc/09/69/58/210096958.db2.gz	SXZSSKSAJOEBQK-UHFFFAOYSA-N	-1	0	345.829	3.297	50	0		EGAARM
CC[C@H]1CN(c2cc(C)nc(-c3ccccc3[O-])n2)CC[C@@]1(C)O	ZINC000102627017	219215541	/nfs/dbraw/zinc/21/55/41/219215541.db2.gz	BIXOIHFKJJUOOB-IFXJQAMLSA-N	-1	0	327.428	3.145	50	0		EGAARM
CN(Cc1ccccc1)c1ncccc1CNc1ncccc1C(=O)[O-]	ZINC000067773054	215209105	/nfs/dbraw/zinc/20/91/05/215209105.db2.gz	QWMJNJLIKYURER-UHFFFAOYSA-N	-1	0	348.406	3.423	50	0		EGAARM
O=C([O-])C1(Cc2ccc(Cl)cc2)CCN(c2ncccn2)CC1	ZINC000071746571	304030568	/nfs/dbraw/zinc/03/05/68/304030568.db2.gz	FNECUWKBTBSFOU-UHFFFAOYSA-N	-1	0	331.803	3.044	50	0		EGAARM
Cc1ccc(CSC[C@H]2Nc3ccc(C(=O)[O-])cc3NC2=O)cc1	ZINC000000617342	209681235	/nfs/dbraw/zinc/68/12/35/209681235.db2.gz	KWENFYQTCXEYRT-MRXNPFEDSA-N	-1	0	342.420	3.359	50	0		EGAARM
COc1ccc([N-]S(=O)(=O)c2ccc(-c3ccno3)s2)cc1	ZINC000036366276	213090311	/nfs/dbraw/zinc/09/03/11/213090311.db2.gz	BBHHNHUTBGJKBL-UHFFFAOYSA-N	-1	0	336.394	3.213	50	0		EGAARM
O=C([O-])Cc1cc(Br)c(F)c(Br)c1F	ZINC000263623507	304088134	/nfs/dbraw/zinc/08/81/34/304088134.db2.gz	ICHYLKMIRCNHQW-UHFFFAOYSA-N	-1	0	329.922	3.117	50	0		EGAARM
Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)CCC(=O)[O-]	ZINC000000205068	209482640	/nfs/dbraw/zinc/48/26/40/209482640.db2.gz	AQESWWLHRNMZKB-UHFFFAOYSA-N	-1	0	335.791	3.005	50	0		EGAARM
O=C([O-])CSc1nnc(Nc2ccccc2)n1-c1ccccc1	ZINC000000189754	209472715	/nfs/dbraw/zinc/47/27/15/209472715.db2.gz	XCJSJYYPXUCHEM-UHFFFAOYSA-N	-1	0	326.381	3.188	50	0		EGAARM
COc1cc(C)ccc1S(=O)(=O)[N-]c1cnc2ccccc2c1	ZINC000072414251	216205270	/nfs/dbraw/zinc/20/52/70/216205270.db2.gz	FBFJCNJZIZTYKI-UHFFFAOYSA-N	-1	0	328.393	3.353	50	0		EGAARM
COc1ccc(-c2oc3cc(OC)ccc3c(=O)c2O)c(OC)c1	ZINC000000057755	209392702	/nfs/dbraw/zinc/39/27/02/209392702.db2.gz	CPSQIOPVWINXFH-UHFFFAOYSA-N	-1	0	328.320	3.191	50	0		EGAARM
Cc1nnc([C@@H]2CCCN2Cc2c(Cl)ccc([O-])c2Cl)[nH]1	ZINC000216029718	241159494	/nfs/dbraw/zinc/15/94/94/241159494.db2.gz	MHYZSNAXRHFFQJ-NSHDSACASA-N	-1	0	327.215	3.463	50	0		EGAARM
C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)n1ccc(C(=O)[O-])n1	ZINC000020602693	212152841	/nfs/dbraw/zinc/15/28/41/212152841.db2.gz	OVDHKTSZHNXKDS-ZETCQYMHSA-N	-1	0	328.155	3.088	50	0		EGAARM
O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2-c2c(O)c3ccccc3c(=O)n21	ZINC000015919780	304151186	/nfs/dbraw/zinc/15/11/86/304151186.db2.gz	FNAHVCQRCYNMPV-HNNXBMFYSA-N	-1	0	346.342	3.037	50	0	biogenic	EGAARM
Cc1[nH]c2ccccc2c1[C@H]1CC(=O)N(c2cccc(C(=O)[O-])c2)C1=O	ZINC000015413605	211822101	/nfs/dbraw/zinc/82/21/01/211822101.db2.gz	XPCHQJJZYQCJMG-OAHLLOKOSA-N	-1	0	348.358	3.222	50	0		EGAARM
Cc1ncsc1C(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1	ZINC000095357777	218291871	/nfs/dbraw/zinc/29/18/71/218291871.db2.gz	SYAMPWDPFVPSBL-CQSZACIVSA-N	-1	0	330.409	3.170	50	0		EGAARM
Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1	ZINC000004845174	210297631	/nfs/dbraw/zinc/29/76/31/210297631.db2.gz	BHPJVYVVUIFMOX-UHFFFAOYSA-N	-1	0	348.811	3.473	50	0		EGAARM
O=C([O-])c1oc(Br)c(Br)c1Br	ZINC000002173202	258049412	/nfs/dbraw/zinc/04/94/12/258049412.db2.gz	PBDHRIGQLQZEDH-UHFFFAOYSA-N	-1	0	348.772	3.265	50	0		EGAARM
CCCOc1ccc(C(=O)NC2(C(=O)[O-])CCCC2)cc1Cl	ZINC000299768878	258082812	/nfs/dbraw/zinc/08/28/12/258082812.db2.gz	ZRWCDMDCCSHZBI-UHFFFAOYSA-N	-1	0	325.792	3.256	50	0		EGAARM
O=S(=O)([O-])c1nc2ccccc2n1Cc1cccc2ccccc21	ZINC000169295899	226237849	/nfs/dbraw/zinc/23/78/49/226237849.db2.gz	HXWVVSRHIFAIHE-UHFFFAOYSA-N	-1	0	338.388	3.485	50	0		EGAARM
CCCN1CNc2c(c(=O)[n-]c(=S)n2-c2ccccc2Cl)C1	ZINC000019874211	276014127	/nfs/dbraw/zinc/01/41/27/276014127.db2.gz	QMHRDHILGHTETB-UHFFFAOYSA-N	-1	0	336.848	3.143	50	0		EGAARM
CC(C)(C)[C@H]1CCc2c(sc3[nH]c(CCC(=O)[O-])nc(=O)c23)C1	ZINC000012381412	278548783	/nfs/dbraw/zinc/54/87/83/278548783.db2.gz	CULXUUJRCHADKV-VIFPVBQESA-N	-1	0	334.441	3.153	50	0		EGAARM
COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1	ZINC000000123182	452514471	/nfs/dbraw/zinc/51/44/71/452514471.db2.gz	PINRYSVBMZMDCG-UHFFFAOYSA-N	-1	0	327.789	3.158	50	0		EGAARM
O=C([O-])[C@@H](CC(=O)Nc1ccc(Cl)cc1Cl)[C@H]1CCCO1	ZINC000000291764	452554174	/nfs/dbraw/zinc/55/41/74/452554174.db2.gz	UVDRCVQFHQOGIH-JOYOIKCWSA-N	-1	0	332.183	3.202	50	0		EGAARM
COc1c(Cl)c(Cl)ccc1S(=O)(=O)[N-]c1cccnc1	ZINC000000308798	452560551	/nfs/dbraw/zinc/56/05/51/452560551.db2.gz	YUIBHBARIXTCSZ-UHFFFAOYSA-N	-1	0	333.196	3.198	50	0		EGAARM
COc1ccc(CCn2c(=O)c3sccc3[n-]c2=S)cc1OC	ZINC000000425418	452587203	/nfs/dbraw/zinc/58/72/03/452587203.db2.gz	XSJXPFAGFHEOMP-UHFFFAOYSA-N	-1	0	348.449	3.380	50	0		EGAARM
COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)[O-])c3n2)c1	ZINC000000902758	452639940	/nfs/dbraw/zinc/63/99/40/452639940.db2.gz	XRAFVTBHXRPEMD-UHFFFAOYSA-N	-1	0	337.257	3.122	50	0		EGAARM
Cn1c2n[n-]c(=S)n2c2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3	ZINC000001245076	452648915	/nfs/dbraw/zinc/64/89/15/452648915.db2.gz	YHLJMGUKKIGVDE-QMMMGPOBSA-N	-1	0	348.497	3.456	50	0		EGAARM
O=C(Nc1ccccc1F)c1c([O-])c2cccc3c2n(c1=O)CCC3	ZINC000001295633	452651537	/nfs/dbraw/zinc/65/15/37/452651537.db2.gz	JXEZIWDSRCEZHY-UHFFFAOYSA-N	-1	0	338.338	3.045	50	0		EGAARM
C[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000002761482	452720398	/nfs/dbraw/zinc/72/03/98/452720398.db2.gz	CLOZXEURTKQOGR-LLVKDONJSA-N	-1	0	333.771	3.122	50	0		EGAARM
COc1ccc(NC(=O)COc2ccccc2C(=O)[O-])cc1Cl	ZINC000003259190	452754676	/nfs/dbraw/zinc/75/46/76/452754676.db2.gz	PJELJXBWOLJQCR-UHFFFAOYSA-N	-1	0	335.743	3.064	50	0		EGAARM
Cc1cccc(-c2nc3c(c(SCC(=O)[O-])n2)COC(C)(C)C3)c1	ZINC000005269509	452852934	/nfs/dbraw/zinc/85/29/34/452852934.db2.gz	CZJAHMCQDLRPHB-UHFFFAOYSA-N	-1	0	344.436	3.480	50	0		EGAARM
CC(C)Oc1ccc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1	ZINC000006702553	452973287	/nfs/dbraw/zinc/97/32/87/452973287.db2.gz	XLDQVYVNPGNGBD-UHFFFAOYSA-N	-1	0	348.424	3.098	50	0		EGAARM
O=C([O-])c1ccc(C[S@@](=O)c2ccc(Br)cc2)o1	ZINC000006919216	453009063	/nfs/dbraw/zinc/00/90/63/453009063.db2.gz	ZYIHVIAYKLFAOE-SFHVURJKSA-N	-1	0	329.171	3.048	50	0		EGAARM
CSCC[C@@H](NC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[O-]	ZINC000008238208	453180189	/nfs/dbraw/zinc/18/01/89/453180189.db2.gz	BIJMNKCKXXJXLE-SECBINFHSA-N	-1	0	337.228	3.321	50	0		EGAARM
CCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)Cc1ccccc1	ZINC000016579766	453612447	/nfs/dbraw/zinc/61/24/47/453612447.db2.gz	LDHDBMDTIBFKOY-UHFFFAOYSA-N	-1	0	346.452	3.111	50	0		EGAARM
COc1cc(C(=O)[O-])ccc1-n1ccnc1-c1cccc(C(C)=O)c1	ZINC000077437484	454106384	/nfs/dbraw/zinc/10/63/84/454106384.db2.gz	JYYMQIUKGKIFFZ-UHFFFAOYSA-N	-1	0	336.347	3.449	50	0		EGAARM
Cc1cc(C)c2c(N)c(C(=O)Nc3ccc(C(=O)[O-])cc3)sc2n1	ZINC000044859797	454122382	/nfs/dbraw/zinc/12/23/82/454122382.db2.gz	FKORCRGTOBTWGF-UHFFFAOYSA-N	-1	0	341.392	3.446	50	0		EGAARM
Cc1cccc(OC[C@H]2CCCN(c3cccc(C(=O)[O-])n3)C2)c1	ZINC000095509756	454224819	/nfs/dbraw/zinc/22/48/19/454224819.db2.gz	NGAPYRYUFFMGPM-HNNXBMFYSA-N	-1	0	326.396	3.384	50	0		EGAARM
CCc1ccc([C@@H]2CC(c3ccco3)=NN2C(=O)CCC(=O)[O-])cc1	ZINC000096118926	454287580	/nfs/dbraw/zinc/28/75/80/454287580.db2.gz	GVHLLPAHVPRCOO-INIZCTEOSA-N	-1	0	340.379	3.385	50	0		EGAARM
CCCC(=O)NC(=S)Nc1cccc(-c2ccc(C(=O)[O-])o2)c1	ZINC000226350679	456108763	/nfs/dbraw/zinc/10/87/63/456108763.db2.gz	FGBGCVRCJLIUKO-UHFFFAOYSA-N	-1	0	332.381	3.258	50	0		EGAARM
O=C([O-])CCCCCCCCN1C(=O)C[C@H](c2ccccc2)C1=O	ZINC000575442873	548087012	/nfs/dbraw/zinc/08/70/12/548087012.db2.gz	HYZCFVILPGXTLG-MRXNPFEDSA-N	-1	0	331.412	3.344	50	0		EGAARM
O=C([O-])C[C@H]1Oc2ccccc2N(Cc2cc(Cl)ccc2F)C1=O	ZINC000063855553	1292027156	/nfs/dbraw/zinc/02/71/56/1292027156.db2.gz	NCRQKBDZEMYYBV-OAHLLOKOSA-N	-1	0	349.745	3.248	50	0		EGAARM
COc1ccc(-c2onc(NC[C@@H]3CCCCO3)c2C(=O)[O-])cc1	ZINC001704326124	1416444746	/nfs/dbraw/zinc/44/47/46/1416444746.db2.gz	XPMCRIYVBDDFEL-ZDUSSCGKSA-N	-1	0	332.356	3.029	50	0		EGAARM
Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1Cc1cccc(Cl)c1	ZINC000100129101	219091663	/nfs/dbraw/zinc/09/16/63/219091663.db2.gz	XVEOYSIDSMOYHX-OAHLLOKOSA-N	-1	0	328.803	3.328	50	0		EGAARM
CC(C)Cn1c2ccccc2c([O-])c(C(=O)Nc2cccnc2)c1=O	ZINC000100658410	219103404	/nfs/dbraw/zinc/10/34/04/219103404.db2.gz	JQPBYTSTCJWBHZ-UHFFFAOYSA-N	-1	0	337.379	3.010	50	0		EGAARM
COc1ccc(-c2ccc3c(n2)[nH]n(-c2ccccc2)c3=O)cc1OC	ZINC000101572807	219140057	/nfs/dbraw/zinc/14/00/57/219140057.db2.gz	DHYLMSBDYDJUGY-UHFFFAOYSA-N	-1	0	347.374	3.398	50	0		EGAARM
CC(C)c1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccccc2)cc1	ZINC000004089501	210117417	/nfs/dbraw/zinc/11/74/17/210117417.db2.gz	ISMSMRLMDHRZHI-QGZVFWFLSA-N	-1	0	347.436	3.304	50	0		EGAARM
O=C([O-])C[C@@H](NC(=O)COc1ccccc1)c1ccc(Cl)cc1	ZINC000003622883	210068028	/nfs/dbraw/zinc/06/80/28/210068028.db2.gz	QOVDFEZLLXKEIQ-OAHLLOKOSA-N	-1	0	333.771	3.051	50	0		EGAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(-c4cc(C)cc(C)c4)c=3c2=O)cc1	ZINC000102807966	219232158	/nfs/dbraw/zinc/23/21/58/219232158.db2.gz	XVSCYKPGYCYGES-ROUUACIJSA-N	-1	0	348.406	3.364	50	0		EGAARM
CCOc1ccc(C([O-])=CS(=O)(=O)c2ccc(F)cc2F)cc1	ZINC000067340705	215134677	/nfs/dbraw/zinc/13/46/77/215134677.db2.gz	VBDYQENKEVPNMN-UHFFFAOYSA-N	-1	0	340.347	3.020	50	0		EGAARM
CCO[C@@H](C)c1nnc(SCC(=O)[O-])n1-c1ccc(Cl)cc1	ZINC000067432450	215145495	/nfs/dbraw/zinc/14/54/95/215145495.db2.gz	VUHHKOPLBYVPNE-VIFPVBQESA-N	-1	0	341.820	3.195	50	0		EGAARM
CO[C@H](C)c1nnc(SCC(=O)[O-])n1-c1cccc2ccccc21	ZINC000067954711	215258804	/nfs/dbraw/zinc/25/88/04/215258804.db2.gz	ORTQKUHNYHWQNF-LLVKDONJSA-N	-1	0	343.408	3.305	50	0		EGAARM
CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1	ZINC000002729559	209897315	/nfs/dbraw/zinc/89/73/15/209897315.db2.gz	FNKRETGBTXXBRB-HZPDHXFCSA-N	-1	0	347.411	3.473	50	0		EGAARM
Cc1nc(-c2ccccc2)sc1C(=O)NCCCCCC(=O)[O-]	ZINC000040285149	213287986	/nfs/dbraw/zinc/28/79/86/213287986.db2.gz	RPVSSKGLUHPLPO-UHFFFAOYSA-N	-1	0	332.425	3.493	50	0		EGAARM
O=C([O-])CCSCC(=O)Nc1c2ccccc2oc1C(=O)C1CC1	ZINC000002201751	304057206	/nfs/dbraw/zinc/05/72/06/304057206.db2.gz	PNFKWHOMSDGOHC-UHFFFAOYSA-N	-1	0	347.392	3.172	50	0		EGAARM
CCc1nc(C)c(C(=O)N2CC[C@@H](c3ccccc3C(=O)[O-])C2)s1	ZINC000072149660	216037236	/nfs/dbraw/zinc/03/72/36/216037236.db2.gz	ARTUJEBQGBRDLG-GFCCVEGCSA-N	-1	0	344.436	3.342	50	0		EGAARM
CC(C)C[C@H](Nc1ncnc2ccc(Br)cc21)C(=O)[O-]	ZINC000000065024	209396580	/nfs/dbraw/zinc/39/65/80/209396580.db2.gz	CGVJSCOXEHOOCG-LBPRGKRZSA-N	-1	0	338.205	3.304	50	0		EGAARM
O=C([O-])[C@@H]1CC=C(Cl)C[C@@H]1C(=O)Nc1nc2ccccc2s1	ZINC000004181305	304099624	/nfs/dbraw/zinc/09/96/24/304099624.db2.gz	JUWQMDZYNWZPIF-ZJUUUORDSA-N	-1	0	336.800	3.468	50	0		EGAARM
CCc1nc2sc([C@H](c3cccs3)N3CCCC3)c([O-])n2n1	ZINC000022853015	212329460	/nfs/dbraw/zinc/32/94/60/212329460.db2.gz	WNPLWNGYHAKKPJ-LBPRGKRZSA-N	-1	0	334.470	3.306	50	0		EGAARM
CCc1nc2sc([C@@H](c3ccco3)N3CCCCC3)c([O-])n2n1	ZINC000022853162	212328690	/nfs/dbraw/zinc/32/86/90/212328690.db2.gz	HAVNTGRGIZZMMV-CYBMUJFWSA-N	-1	0	332.429	3.227	50	0		EGAARM
COc1ccccc1/C=C(/NC(=O)c1ccccc1Cl)C(=O)[O-]	ZINC000022229423	212284068	/nfs/dbraw/zinc/28/40/68/212284068.db2.gz	CJURIGYTGHIOBJ-GXDHUFHOSA-N	-1	0	331.755	3.204	50	0		EGAARM
O=C([O-])C1(NC(=O)CSCc2ccccc2Cl)CCCC1	ZINC000252486898	243784561	/nfs/dbraw/zinc/78/45/61/243784561.db2.gz	HQEPXUPFVUURBX-UHFFFAOYSA-N	-1	0	327.833	3.087	50	0		EGAARM
COc1cc(Br)cc(C(=O)[O-])c1OCc1ccncc1	ZINC000020284793	212116352	/nfs/dbraw/zinc/11/63/52/212116352.db2.gz	RZISBENJZZKLMB-UHFFFAOYSA-N	-1	0	338.157	3.130	50	0		EGAARM
O=C([O-])Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1	ZINC000012021189	211279748	/nfs/dbraw/zinc/27/97/48/211279748.db2.gz	MSLLBBVXVAPZKE-UHFFFAOYSA-N	-1	0	334.169	3.329	50	0		EGAARM
Cc1nnc(SCc2cc(=O)n(-c3ccc(Cl)cc3)[n-]2)s1	ZINC000009937274	211134193	/nfs/dbraw/zinc/13/41/93/211134193.db2.gz	XZAGNTFPXRNPEV-UHFFFAOYSA-N	-1	0	338.845	3.271	50	0		EGAARM
COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1	ZINC000009320491	211068512	/nfs/dbraw/zinc/06/85/12/211068512.db2.gz	WZRFPAKBRGJDCK-UHFFFAOYSA-N	-1	0	345.829	3.297	50	0		EGAARM
COc1ccc(CSc2nnc(Cc3ccccc3)c(=O)[n-]2)cc1	ZINC000009305293	211063126	/nfs/dbraw/zinc/06/31/26/211063126.db2.gz	PYESIVLJEYBPQO-UHFFFAOYSA-N	-1	0	339.420	3.057	50	0		EGAARM
CCCc1nc([N-]c2nc3ccccc3o2)ncc1C(=O)OCC	ZINC000009013340	211031999	/nfs/dbraw/zinc/03/19/99/211031999.db2.gz	MPIFXSJKAKHDFF-UHFFFAOYSA-N	-1	0	326.356	3.491	50	0		EGAARM
O=C([O-])c1ccc(Cn2cnc3sc4c(c3c2=O)CCCC4)cc1	ZINC000000131673	304244864	/nfs/dbraw/zinc/24/48/64/304244864.db2.gz	DROOLDSOLTXUQB-UHFFFAOYSA-N	-1	0	340.404	3.083	50	0		EGAARM
C[C@H](c1ccccc1)[C@H]1CC(=O)N(c2cccc(C=CC(=O)[O-])c2)C1=O	ZINC000004860634	210304548	/nfs/dbraw/zinc/30/45/48/210304548.db2.gz	PYXOKILXRBHECR-UVBGIDOTSA-N	-1	0	349.386	3.468	50	0		EGAARM
CC(C)CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000004757094	210272292	/nfs/dbraw/zinc/27/22/92/210272292.db2.gz	RRCMYHGMUKPKRV-UHFFFAOYSA-N	-1	0	346.452	3.263	50	0		EGAARM
CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ncccc1C	ZINC000011565932	258054359	/nfs/dbraw/zinc/05/43/59/258054359.db2.gz	DCDZSCOMYCBWEE-UHFFFAOYSA-N	-1	0	326.805	3.243	50	0		EGAARM
CCCc1cc(=O)n2[n-]c(C)c(-c3ccc(OC)c(OC)c3)c2n1	ZINC000102803456	258069708	/nfs/dbraw/zinc/06/97/08/258069708.db2.gz	PDJBFNZPXHKFJX-UHFFFAOYSA-N	-1	0	327.384	3.380	50	0		EGAARM
O=C(c1nn(-c2ccccc2)cc1[O-])N1CC=C(c2ccccc2F)C1	ZINC000355006083	166084934	/nfs/dbraw/zinc/08/49/34/166084934.db2.gz	RSNKQNZVBJGFEF-UHFFFAOYSA-N	-1	0	349.365	3.256	50	0		EGAARM
CN(C(=O)c1cc(=O)n(-c2ccccc2)[n-]1)[C@H]1CCCc2ccccc21	ZINC000077321804	288917575	/nfs/dbraw/zinc/91/75/75/288917575.db2.gz	VTUZPAJGVHQFBW-IBGZPJMESA-N	-1	0	347.418	3.315	50	0		EGAARM
COc1ccc([C@@H]2[C@H](C(=O)[O-])CCC(=O)N2Cc2ccccc2)cc1	ZINC000008729924	295232343	/nfs/dbraw/zinc/23/23/43/295232343.db2.gz	YIEUICZEWBOXGY-IEBWSBKVSA-N	-1	0	339.391	3.260	50	0		EGAARM
C[C@H](C(=O)[O-])n1cnc2scc(-c3ccc(Cl)cc3)c2c1=O	ZINC000000145073	298219289	/nfs/dbraw/zinc/21/92/89/298219289.db2.gz	MRVBIPZFDCCVAN-MRVPVSSYSA-N	-1	0	334.784	3.424	50	0		EGAARM
Cc1oc(CSc2nnc(-c3ccccc3)n2C)cc1C(=O)[O-]	ZINC000000033304	452492982	/nfs/dbraw/zinc/49/29/82/452492982.db2.gz	DCZQLWZLLDUCSJ-UHFFFAOYSA-N	-1	0	329.381	3.374	50	0		EGAARM
CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccs2)cc1OC	ZINC000000037019	452493472	/nfs/dbraw/zinc/49/34/72/452493472.db2.gz	PCBOOOIHCXCELU-GFCCVEGCSA-N	-1	0	349.408	3.101	50	0		EGAARM
O=C([O-])[C@H]1CS[C@H](c2ccc(OCc3ccc(F)cc3)cc2)N1	ZINC000000140194	452517148	/nfs/dbraw/zinc/51/71/48/452517148.db2.gz	ZFRLMTNGSVCZMW-HZPDHXFCSA-N	-1	0	333.384	3.193	50	0		EGAARM
Cc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccco3)C2)cc1	ZINC000000376046	452574803	/nfs/dbraw/zinc/57/48/03/452574803.db2.gz	MZGUMYQOSWGQTD-OAHLLOKOSA-N	-1	0	326.352	3.131	50	0		EGAARM
Cc1ccccc1C(=O)NC(=S)Nc1cc(C(=O)[O-])ccc1Cl	ZINC000000466298	452601044	/nfs/dbraw/zinc/60/10/44/452601044.db2.gz	AFBOQRQFBKUVOO-UHFFFAOYSA-N	-1	0	348.811	3.473	50	0		EGAARM
COc1ccc(OC)c(NC(=O)Nc2cc(C(=O)[O-])ccc2C)c1	ZINC000000611853	452631322	/nfs/dbraw/zinc/63/13/22/452631322.db2.gz	LJTHAZUYQHVXRG-UHFFFAOYSA-N	-1	0	330.340	3.354	50	0		EGAARM
Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C(=O)[O-])c1	ZINC000001274375	452651125	/nfs/dbraw/zinc/65/11/25/452651125.db2.gz	KZILFSJXWYKWMG-UHFFFAOYSA-N	-1	0	325.773	3.147	50	0		EGAARM
Cc1ccc(N2C(=O)S[C@H](Nc3cccc(C(=O)[O-])c3)C2=O)cc1	ZINC000001318009	452653472	/nfs/dbraw/zinc/65/34/72/452653472.db2.gz	LCNGXJFWWDWQCM-AWEZNQCLSA-N	-1	0	342.376	3.331	50	0		EGAARM
CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccn2)c1=O	ZINC000002271177	452692219	/nfs/dbraw/zinc/69/22/19/452692219.db2.gz	DQKNZHVSBUOJOU-UHFFFAOYSA-N	-1	0	337.379	3.155	50	0		EGAARM
CCCCOC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1	ZINC000005707716	452897041	/nfs/dbraw/zinc/89/70/41/452897041.db2.gz	RNWXEXPNXAICBK-JKSUJKDBSA-N	-1	0	345.395	3.249	50	0		EGAARM
O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc(F)c(F)c1	ZINC000005863542	452905075	/nfs/dbraw/zinc/90/50/75/452905075.db2.gz	VITBEOUOSLCONN-UHFFFAOYSA-N	-1	0	327.396	3.212	50	0		EGAARM
O=c1c(-c2ccc3c(c2)OCCCO3)coc2cc([O-])cc(O)c12	ZINC000006557501	452953884	/nfs/dbraw/zinc/95/38/84/452953884.db2.gz	GKQZRSBHTVASBV-UHFFFAOYSA-N	-1	0	326.304	3.033	50	0	biogenic	EGAARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2SC)c(OC)c1	ZINC000006706423	452973239	/nfs/dbraw/zinc/97/32/39/452973239.db2.gz	BGOXLSGXBHXQCF-UHFFFAOYSA-N	-1	0	339.438	3.227	50	0		EGAARM
CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc3c(c2)CCC3)C[C@H]1C(=O)[O-]	ZINC000014632511	453539521	/nfs/dbraw/zinc/53/95/21/453539521.db2.gz	SEDQHCXTLUYVOX-HOTGVXAUSA-N	-1	0	347.411	3.017	50	0		EGAARM
O=C([O-])c1ccc(N2C(=O)C[C@H](Cc3ccc(Cl)cc3)C2=O)cc1	ZINC000018115881	453644636	/nfs/dbraw/zinc/64/46/36/453644636.db2.gz	NJJYCKFCHIWOOT-ZDUSSCGKSA-N	-1	0	343.766	3.160	50	0		EGAARM
COCc1cccc(S(=O)(=O)[N-]c2nc3ccccc3s2)c1	ZINC000071195372	454202244	/nfs/dbraw/zinc/20/22/44/454202244.db2.gz	LOIGXBQHFSWJOM-UHFFFAOYSA-N	-1	0	334.422	3.244	50	0		EGAARM
Cc1ccc(N2CCC[C@@](Cc3ccccc3C)(C(=O)[O-])C2)nn1	ZINC000071746687	454212154	/nfs/dbraw/zinc/21/21/54/454212154.db2.gz	FWSNMIIVAVJSHH-IBGZPJMESA-N	-1	0	325.412	3.007	50	0		EGAARM
O=C([O-])c1cccc(N2CCC[C@@H](COc3ccc(F)cc3)C2)n1	ZINC000095499278	454222362	/nfs/dbraw/zinc/22/23/62/454222362.db2.gz	LGHUVABDEJRRNG-CYBMUJFWSA-N	-1	0	330.359	3.214	50	0		EGAARM
Cc1ccc(-c2cc(=O)n(CC(=O)Nc3ccc(F)cc3F)[n-]2)cc1	ZINC000049006613	454528074	/nfs/dbraw/zinc/52/80/74/454528074.db2.gz	ZOYKRIMSMOWONU-UHFFFAOYSA-N	-1	0	343.333	3.069	50	0		EGAARM
O=C([O-])c1ccc(OS(=O)(=O)c2cccc3ccccc32)cc1	ZINC000080914996	454645148	/nfs/dbraw/zinc/64/51/48/454645148.db2.gz	BNRABDFPKBMCRH-UHFFFAOYSA-N	-1	0	328.345	3.306	50	0		EGAARM
O=C([O-])c1ccc2cc(Br)cc(Br)c2n1	ZINC000230093989	456132879	/nfs/dbraw/zinc/13/28/79/456132879.db2.gz	IQLSNUSBHFYMFQ-UHFFFAOYSA-N	-1	0	330.963	3.458	50	0		EGAARM
Cc1ccccc1CC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1	ZINC000585134157	459828081	/nfs/dbraw/zinc/82/80/81/459828081.db2.gz	GDLRNOCTCQHJGZ-AWEZNQCLSA-N	-1	0	330.409	3.056	50	0		EGAARM
C[C@H]1Cc2cccc3c2n1c(=O)c(C(=O)Nc1ccc(F)cc1)c3[O-]	ZINC000200459174	564013746	/nfs/dbraw/zinc/01/37/46/564013746.db2.gz	PWVOIVZUSCQBQR-JTQLQIEISA-N	-1	0	338.338	3.216	50	0		EGAARM
CCCc1nc(N[C@H](C)c2ccc(OC)c(OC)c2)ncc1C(=O)[O-]	ZINC000169751203	564100007	/nfs/dbraw/zinc/10/00/07/564100007.db2.gz	WCCXMNKVAYIQFL-LLVKDONJSA-N	-1	0	345.399	3.318	50	0		EGAARM
CN(CCC[C@@H]1CCCO1)c1noc(-c2ccccc2)c1C(=O)[O-]	ZINC001772707388	1441417074	/nfs/dbraw/zinc/41/70/74/1441417074.db2.gz	RLDAAYUQMKHUHJ-CQSZACIVSA-N	-1	0	330.384	3.435	50	0		EGAARM
Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1nc2ccccc2[nH]1	ZINC000059449027	214620357	/nfs/dbraw/zinc/62/03/57/214620357.db2.gz	HUDPPXYJCFFMAE-UHFFFAOYSA-N	-1	0	341.392	3.300	50	0		EGAARM
COc1ccc(C2(C(=O)[O-])CCN(C(=O)OC(C)(C)C)CC2)cc1	ZINC000098213829	219087850	/nfs/dbraw/zinc/08/78/50/219087850.db2.gz	ZZTINMROZIPULP-UHFFFAOYSA-N	-1	0	335.400	3.049	50	0		EGAARM
CCCn1nc(NC(=O)CCC(=O)[O-])c2cc3cccc(C)c3nc21	ZINC000004502249	210206845	/nfs/dbraw/zinc/20/68/45/210206845.db2.gz	BJHUFCZADXMWHC-UHFFFAOYSA-N	-1	0	340.383	3.106	50	0		EGAARM
Cc1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)c(C)c1	ZINC000100621278	219102863	/nfs/dbraw/zinc/10/28/63/219102863.db2.gz	FLQWILQLYNAHFK-UHFFFAOYSA-N	-1	0	334.375	3.132	50	0		EGAARM
CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1	ZINC000003888229	210085465	/nfs/dbraw/zinc/08/54/65/210085465.db2.gz	WSXARGRPZNRDBF-UHFFFAOYSA-N	-1	0	333.409	3.483	50	0		EGAARM
O=C(Nc1ccc(Cl)cc1)c1c([O-])c2cccc3c2n(c1=O)CC3	ZINC000100662940	304001735	/nfs/dbraw/zinc/00/17/35/304001735.db2.gz	VJEJKFSGWPEUOI-UHFFFAOYSA-N	-1	0	340.766	3.169	50	0		EGAARM
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000002860465	209929451	/nfs/dbraw/zinc/92/94/51/209929451.db2.gz	UEPVIQVAERZLFO-ZDUSSCGKSA-N	-1	0	348.786	3.383	50	0		EGAARM
O=C([O-])C(F)(F)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12	ZINC000261494957	304027169	/nfs/dbraw/zinc/02/71/69/304027169.db2.gz	XMGVICGUJHUXCI-UHFFFAOYSA-N	-1	0	347.652	3.171	50	0		EGAARM
Cc1nc(-c2ccccc2F)sc1C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000040286458	213289473	/nfs/dbraw/zinc/28/94/73/213289473.db2.gz	CPMWXGXTUUWPIW-NSHDSACASA-N	-1	0	348.399	3.194	50	0		EGAARM
O=C([O-])[C@@H]1CCCN(C(=O)CCn2ccc3c2cccc3Cl)C1	ZINC000040286744	213288880	/nfs/dbraw/zinc/28/88/80/213288880.db2.gz	MYNGKFAHWDCSHX-GFCCVEGCSA-N	-1	0	334.803	3.008	50	0		EGAARM
CCC(=O)Nc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1C	ZINC000036566166	213100133	/nfs/dbraw/zinc/10/01/33/213100133.db2.gz	KVPRGQQVNRKTCE-OLZOCXBDSA-N	-1	0	332.400	3.173	50	0		EGAARM
O=C([O-])c1ccccc1[C@H]1CCN(C(=O)c2ccc3cc[nH]c3c2)C1	ZINC000072156654	216045961	/nfs/dbraw/zinc/04/59/61/216045961.db2.gz	VNRJTMXLMLKGKB-HNNXBMFYSA-N	-1	0	334.375	3.496	50	0		EGAARM
O=C([O-])/C=C/c1cccn1-c1ccc(I)cc1	ZINC000000165861	209461139	/nfs/dbraw/zinc/46/11/39/209461139.db2.gz	CAEFSQWFHAEUBT-BQYQJAHWSA-N	-1	0	339.132	3.180	50	0		EGAARM
Cc1ccc(C[C@H]2CC(=O)N(c3cccc(C=CC(=O)[O-])c3)C2=O)cc1	ZINC000020028756	212094581	/nfs/dbraw/zinc/09/45/81/212094581.db2.gz	DMZRLNQDZYFTFD-FVNWOWOISA-N	-1	0	349.386	3.215	50	0		EGAARM
Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@H]1C(=O)[O-]	ZINC000091616670	218031519	/nfs/dbraw/zinc/03/15/19/218031519.db2.gz	GCQOCVOMMIHSIU-DLBZAZTESA-N	-1	0	327.355	3.075	50	0		EGAARM
Cc1ccccc1[C@@H]1CN(C(=O)c2ccc3c(c2)CCC3)C[C@H]1C(=O)[O-]	ZINC000091808330	218068694	/nfs/dbraw/zinc/06/86/94/218068694.db2.gz	HJQOACXCAJPRKB-VQTJNVASSA-N	-1	0	349.430	3.424	50	0		EGAARM
CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000010684193	211185010	/nfs/dbraw/zinc/18/50/10/211185010.db2.gz	KQFVPGMKSMLNOS-IHRRRGAJSA-N	-1	0	346.427	3.044	50	0		EGAARM
CCCC(=O)Nc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1	ZINC000009229944	211056801	/nfs/dbraw/zinc/05/68/01/211056801.db2.gz	QJVNFJBNQAOOSH-HUUCEWRRSA-N	-1	0	332.400	3.255	50	0		EGAARM
CCc1cc(C(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)ccn1	ZINC000095354110	218288603	/nfs/dbraw/zinc/28/86/03/218288603.db2.gz	HPMINPGZHWDICE-KRWDZBQOSA-N	-1	0	338.407	3.362	50	0		EGAARM
O=C([O-])c1cccc([C@@H]2CCCN(C(=O)CCc3ccncc3)C2)c1	ZINC000095363952	218297170	/nfs/dbraw/zinc/29/71/70/218297170.db2.gz	CMXUDBQMEHRHCD-GOSISDBHSA-N	-1	0	338.407	3.119	50	0		EGAARM
O=C([O-])c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1	ZINC000000203565	304251162	/nfs/dbraw/zinc/25/11/62/304251162.db2.gz	LRERUEHSZCRKIC-QGZVFWFLSA-N	-1	0	327.405	3.202	50	0		EGAARM
CCOP(=O)(OCC)C(CC(=O)[O-])P(=O)(OCC)OCC	ZINC000002507501	286186989	/nfs/dbraw/zinc/18/69/89/286186989.db2.gz	GDQZCDGSLKIQJU-UHFFFAOYSA-N	-1	0	346.253	3.319	50	0		EGAARM
CCc1ccc(-c2csc3ncn([C@@H](C)C(=O)[O-])c(=O)c23)cc1	ZINC000000131632	452515915	/nfs/dbraw/zinc/51/59/15/452515915.db2.gz	RHQIJFCELYKQAE-JTQLQIEISA-N	-1	0	328.393	3.333	50	0		EGAARM
COc1cc([N-]S(=O)(=O)c2ccc(F)cc2)c(OC)cc1Cl	ZINC000000183185	452528843	/nfs/dbraw/zinc/52/88/43/452528843.db2.gz	ZEVRGDDSXZKBCD-UHFFFAOYSA-N	-1	0	345.779	3.297	50	0		EGAARM
O=C([O-])CCCC(=O)Nc1nc(-c2ccc(F)cc2F)cs1	ZINC000000205087	452534922	/nfs/dbraw/zinc/53/49/22/452534922.db2.gz	BABCDPNEEGFZNL-UHFFFAOYSA-N	-1	0	326.324	3.282	50	0		EGAARM
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1nnc(-c2cccs2)s1	ZINC000000205183	452535196	/nfs/dbraw/zinc/53/51/96/452535196.db2.gz	HDGGCXFEJDMDNK-DTWKUNHWSA-N	-1	0	337.426	3.096	50	0		EGAARM
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Br)cc1	ZINC000000233228	452543545	/nfs/dbraw/zinc/54/35/45/452543545.db2.gz	DHUJMLNQJBLMFX-VXGBXAGGSA-N	-1	0	326.190	3.279	50	0		EGAARM
COc1cc([N-]S(=O)(=O)Cc2ccccc2)c(OC)cc1Cl	ZINC000000304089	452558931	/nfs/dbraw/zinc/55/89/31/452558931.db2.gz	VZRCSIQTVNPVIT-UHFFFAOYSA-N	-1	0	341.816	3.299	50	0		EGAARM
O=C([O-])c1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1Cl	ZINC000000311504	452560266	/nfs/dbraw/zinc/56/02/66/452560266.db2.gz	YYLGPJHHLIFWNF-UHFFFAOYSA-N	-1	0	348.811	3.094	50	0		EGAARM
O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1F	ZINC000000318535	452564571	/nfs/dbraw/zinc/56/45/71/452564571.db2.gz	SNFPQHQOHVXHTI-KRWDZBQOSA-N	-1	0	340.354	3.368	50	0		EGAARM
CCOc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1	ZINC000000423497	452588093	/nfs/dbraw/zinc/58/80/93/452588093.db2.gz	LFQVYZNHEYHGEB-UHFFFAOYSA-N	-1	0	328.393	3.434	50	0		EGAARM
O=C([O-])CCc1ccc(-c2cccs2)n1NC(=O)c1ccco1	ZINC000000528844	452615071	/nfs/dbraw/zinc/61/50/71/452615071.db2.gz	STJROFSIHBZKBU-UHFFFAOYSA-N	-1	0	330.365	3.211	50	0		EGAARM
CCN(CC)c1cc(Nc2ccccc2)c(N)cc1S(=O)(=O)[O-]	ZINC000002505887	452701474	/nfs/dbraw/zinc/70/14/74/452701474.db2.gz	UWNNNYZLBVUMGV-UHFFFAOYSA-N	-1	0	335.429	3.105	50	0		EGAARM
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1nc(-c2ccccc2)cs1	ZINC000002759746	452719976	/nfs/dbraw/zinc/71/99/76/452719976.db2.gz	JHVAVFCAELQJSD-OLZOCXBDSA-N	-1	0	328.393	3.416	50	0		EGAARM
O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1	ZINC000002884644	452734097	/nfs/dbraw/zinc/73/40/97/452734097.db2.gz	UMXULSULDRDBOZ-UHFFFAOYSA-N	-1	0	346.191	3.492	50	0		EGAARM
O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000003135719	452744009	/nfs/dbraw/zinc/74/40/09/452744009.db2.gz	JTIRSISIFPGBKY-DTWKUNHWSA-N	-1	0	341.207	3.383	50	0		EGAARM
COc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)[O-]	ZINC000003259175	452753970	/nfs/dbraw/zinc/75/39/70/452753970.db2.gz	YZROVEHZEOJJNZ-UHFFFAOYSA-N	-1	0	335.743	3.064	50	0		EGAARM
CCOc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1	ZINC000004028695	452790971	/nfs/dbraw/zinc/79/09/71/452790971.db2.gz	ATAAUEOFIFSLSY-ROUUACIJSA-N	-1	0	336.391	3.255	50	0	biogenic	EGAARM
Cc1ccc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc1	ZINC000004703557	452814891	/nfs/dbraw/zinc/81/48/91/452814891.db2.gz	OABJWSLRBDBUOK-UHFFFAOYSA-N	-1	0	326.396	3.142	50	0		EGAARM
Cc1cc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1F	ZINC000005329262	452859105	/nfs/dbraw/zinc/85/91/05/452859105.db2.gz	JSQYLRWTHTYJFP-UHFFFAOYSA-N	-1	0	348.399	3.062	50	0		EGAARM
O=S(=O)([N-]c1nc2ccccc2s1)c1cc(F)ccc1F	ZINC000006699938	452971481	/nfs/dbraw/zinc/97/14/81/452971481.db2.gz	BHCJOUWRPOQYOF-UHFFFAOYSA-N	-1	0	326.349	3.375	50	0		EGAARM
COc1ccc(C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1Cl	ZINC000006704093	452974223	/nfs/dbraw/zinc/97/42/23/452974223.db2.gz	VYEWPZUCGYCLMZ-UHFFFAOYSA-N	-1	0	335.743	3.064	50	0		EGAARM
O=C([O-])CCC(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1	ZINC000006742020	452980447	/nfs/dbraw/zinc/98/04/47/452980447.db2.gz	CTMHWAVWTOJAGV-UHFFFAOYSA-N	-1	0	334.441	3.414	50	0		EGAARM
COc1cc(OC)c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1Cl	ZINC000006731850	452980764	/nfs/dbraw/zinc/98/07/64/452980764.db2.gz	CNZSIQRCTSPQIN-ZJUUUORDSA-N	-1	0	341.791	3.187	50	0		EGAARM
Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CCC(=O)[O-])o1	ZINC000007986617	453144150	/nfs/dbraw/zinc/14/41/50/453144150.db2.gz	VPJOPLCINMSKRI-LBPRGKRZSA-N	-1	0	332.381	3.192	50	0		EGAARM
CCOc1ccc([N-]S(=O)(=O)c2cc(CC)ccc2OC)cc1	ZINC000008132486	453167644	/nfs/dbraw/zinc/16/76/44/453167644.db2.gz	KYCGOSLVECJOTH-UHFFFAOYSA-N	-1	0	335.425	3.457	50	0		EGAARM
CCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccnc1	ZINC000016647996	453618009	/nfs/dbraw/zinc/61/80/09/453618009.db2.gz	UTJPFTDJJGDEMT-UHFFFAOYSA-N	-1	0	326.805	3.325	50	0		EGAARM
Cc1nc2sc([C@H](c3ccco3)N3C[C@@H](C)C[C@H](C)C3)c([O-])n2n1	ZINC000023158092	453705773	/nfs/dbraw/zinc/70/57/73/453705773.db2.gz	KNNOMGOJHQKQJB-MJVIPROJSA-N	-1	0	346.456	3.465	50	0		EGAARM
COc1cc(OC)cc(-c2noc(-c3c[n-]c4ccccc4c3=O)n2)c1	ZINC000057354815	454121315	/nfs/dbraw/zinc/12/13/15/454121315.db2.gz	NBMLCLVNRWUSBS-UHFFFAOYSA-N	-1	0	349.346	3.262	50	0		EGAARM
Cc1nc(-c2cccc(NC(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)c2)cs1	ZINC000071284148	454204220	/nfs/dbraw/zinc/20/42/20/454204220.db2.gz	SCGWAARBKYNXQJ-UONOGXRCSA-N	-1	0	330.409	3.414	50	0		EGAARM
CCn1nc(C(C)C)cc1C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1	ZINC000095516340	454226507	/nfs/dbraw/zinc/22/65/07/454226507.db2.gz	BCODGQFSXLYGTJ-OAHLLOKOSA-N	-1	0	347.390	3.111	50	0		EGAARM
O=C([O-])c1ccc(N2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)nc1	ZINC000096163931	454295352	/nfs/dbraw/zinc/29/53/52/454295352.db2.gz	TXQXHZYUJPVSOZ-CYBMUJFWSA-N	-1	0	336.395	3.115	50	0		EGAARM
O=C([O-])c1ccc(N2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)nc1	ZINC000096163930	454295374	/nfs/dbraw/zinc/29/53/74/454295374.db2.gz	TXQXHZYUJPVSOZ-ZDUSSCGKSA-N	-1	0	336.395	3.115	50	0		EGAARM
COCCC[C@]1(C(=O)[O-])CCCN(c2ccc(C(F)(F)F)cn2)C1	ZINC000091320458	454426185	/nfs/dbraw/zinc/42/61/85/454426185.db2.gz	BWJATUQIORBXJH-OAHLLOKOSA-N	-1	0	346.349	3.198	50	0		EGAARM
Cc1cccc(CNC(=O)c2c([O-])c3cccc4c3n(c2=O)[C@H](C)C4)c1	ZINC000170624691	454944450	/nfs/dbraw/zinc/94/44/50/454944450.db2.gz	QZGDMCBFTXGLJM-CYBMUJFWSA-N	-1	0	348.402	3.063	50	0		EGAARM
Cc1cccc([C@@H](NC(=O)CCC(=O)c2ccc(F)cc2)C(=O)[O-])c1	ZINC000219934104	456038042	/nfs/dbraw/zinc/03/80/42/456038042.db2.gz	PTKSUWHKDZSROH-GOSISDBHSA-N	-1	0	343.354	3.039	50	0		EGAARM
O=C([O-])CC1(NC(=O)c2ccc(Cn3cccc3)cc2)CCCCC1	ZINC000426444691	457831271	/nfs/dbraw/zinc/83/12/71/457831271.db2.gz	UCVQDMDKRDISQE-UHFFFAOYSA-N	-1	0	340.423	3.444	50	0		EGAARM
COc1cc(C(=O)[O-])cc(C(=O)N2CC[C@@H]2c2ccc(F)cc2)c1	ZINC000426684418	457877361	/nfs/dbraw/zinc/87/73/61/457877361.db2.gz	LCXICPJAMNJDJI-MRXNPFEDSA-N	-1	0	329.327	3.120	50	0		EGAARM
O=C1[C@H](Cc2c[nH]c3ccccc23)N=C2c3ccccc3[N-]C(=S)N12	ZINC000575615022	459985437	/nfs/dbraw/zinc/98/54/37/459985437.db2.gz	DKVFDSHSFLGXDM-INIZCTEOSA-N	-1	0	346.415	3.078	50	0		EGAARM
CC(C)c1nccc(-c2nccn2-c2ccc(C(=O)[O-])cc2F)n1	ZINC000077489643	1292468799	/nfs/dbraw/zinc/46/87/99/1292468799.db2.gz	AWXBFZPQYQAPCK-UHFFFAOYSA-N	-1	0	326.331	3.290	50	0		EGAARM
COc1cc(NCc2ccc(Cl)cc2)c(-c2nn[n-]n2)cc1OC	ZINC000006659160	1422286369	/nfs/dbraw/zinc/28/63/69/1422286369.db2.gz	FNOJHFABJGLBJX-UHFFFAOYSA-N	-1	0	345.790	3.149	50	0		EGAARM
CCC[C@]1(C(=O)[O-])CN(c2ccc3cc(Cl)ccc3n2)CC[C@@H]1O	ZINC001772709541	1441417047	/nfs/dbraw/zinc/41/70/47/1441417047.db2.gz	KCTJRZCEUCHRCM-YJBOKZPZSA-N	-1	0	348.830	3.330	50	0		EGAARM
O=C([O-])c1ccccc1-c1ccccc1C(=O)NCc1cccnc1	ZINC000004635605	210234928	/nfs/dbraw/zinc/23/49/28/210234928.db2.gz	NQERCRFLQJTBBY-UHFFFAOYSA-N	-1	0	332.359	3.377	50	0		EGAARM
Cc1nc(-c2cccc(F)c2)sc1C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000049547587	214017578	/nfs/dbraw/zinc/01/75/78/214017578.db2.gz	MPRJPJHALCMVRI-LBPRGKRZSA-N	-1	0	336.388	3.097	50	0		EGAARM
Cc1nnc(NC(=O)c2cccc(C(=O)[O-])c2-c2ccccc2)s1	ZINC000098086988	219082388	/nfs/dbraw/zinc/08/23/88/219082388.db2.gz	OCAZYJCFMRHKJP-UHFFFAOYSA-N	-1	0	339.376	3.464	50	0		EGAARM
CCCn1c2ccccc2c([O-])c(-c2nc3ccccc3c(=O)[nH]2)c1=O	ZINC000100504354	219101288	/nfs/dbraw/zinc/10/12/88/219101288.db2.gz	RKTDSBMPDAUXDF-UHFFFAOYSA-N	-1	0	347.374	3.021	50	0		EGAARM
CCn1c2ccccc2c([O-])c(C(=O)N[C@H](C)c2ccccc2)c1=O	ZINC000100505457	219101458	/nfs/dbraw/zinc/10/14/58/219101458.db2.gz	JUWPTXQKARMRSA-CYBMUJFWSA-N	-1	0	336.391	3.218	50	0	biogenic	EGAARM
Cc1cccc(NC(=O)c2c([O-])c3sccc3n(C)c2=O)c1C	ZINC000049409464	214006344	/nfs/dbraw/zinc/00/63/44/214006344.db2.gz	LZEUPKRRJYNZQL-UHFFFAOYSA-N	-1	0	328.393	3.175	50	0		EGAARM
Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1	ZINC000101260651	219119891	/nfs/dbraw/zinc/11/98/91/219119891.db2.gz	KKINEKKVDWWZJJ-GJZGRUSLSA-N	-1	0	340.770	3.146	50	0		EGAARM
CCCOC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000003907368	210091633	/nfs/dbraw/zinc/09/16/33/210091633.db2.gz	NFJYXJJQOJBFTD-UHFFFAOYSA-N	-1	0	325.411	3.116	50	0		EGAARM
COc1ccc([N-]S(=O)(=O)c2cc(C)ccc2OC)cc1Cl	ZINC000003613134	210066151	/nfs/dbraw/zinc/06/61/51/210066151.db2.gz	NRSXLZVHEZUSOU-UHFFFAOYSA-N	-1	0	341.816	3.466	50	0		EGAARM
C[C@H](c1ccccc1)n1c(SCC(=O)[O-])nnc1-c1ccncc1	ZINC000067696492	215189795	/nfs/dbraw/zinc/18/97/95/215189795.db2.gz	YMICILFPCZCISJ-GFCCVEGCSA-N	-1	0	340.408	3.126	50	0		EGAARM
Nc1nc2ccc(C(=O)[O-])cc2c(NCc2cccc3[nH]ccc32)n1	ZINC000067886566	215242648	/nfs/dbraw/zinc/24/26/48/215242648.db2.gz	VUPXQFWFXQEOJN-UHFFFAOYSA-N	-1	0	333.351	3.004	50	0		EGAARM
CC[C@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000001085153	209709537	/nfs/dbraw/zinc/70/95/37/209709537.db2.gz	LPBJSBYDQADWLR-RCBQFDQVSA-N	-1	0	345.395	3.247	50	0		EGAARM
Cc1ccc(S(=O)(=O)Nc2c(Cl)cccc2C(=O)[O-])cc1	ZINC000036370634	213091763	/nfs/dbraw/zinc/09/17/63/213091763.db2.gz	JDHGCXQGALXPQW-UHFFFAOYSA-N	-1	0	325.773	3.147	50	0		EGAARM
CCOc1cc(CNc2cccc(C(=O)[O-])c2C)ccc1OCCO	ZINC000035684084	213046233	/nfs/dbraw/zinc/04/62/33/213046233.db2.gz	HXGWSWDVMCVDGC-UHFFFAOYSA-N	-1	0	345.395	3.075	50	0		EGAARM
Cc1nc2ccc(Cl)cn2c1C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000031948101	212769662	/nfs/dbraw/zinc/76/96/62/212769662.db2.gz	WWATUKDJKVNWBQ-UHFFFAOYSA-N	-1	0	329.743	3.247	50	0		EGAARM
O=C([O-])c1ccc(NC(=S)NC(=O)c2cccc(Cl)c2)cc1	ZINC000000311110	209529214	/nfs/dbraw/zinc/52/92/14/209529214.db2.gz	QKBKNVVRRMROBH-UHFFFAOYSA-N	-1	0	334.784	3.165	50	0		EGAARM
O=C([O-])CCn1nc(Nc2ccccc2)n(-c2ccccc2)c1=S	ZINC000000234993	209497961	/nfs/dbraw/zinc/49/79/61/209497961.db2.gz	IVSMAMHRDUGOAP-UHFFFAOYSA-N	-1	0	340.408	3.043	50	0		EGAARM
Cc1cc(F)ccc1OC1(C(=O)[O-])CCN(C(=O)CCC2CC2)CC1	ZINC000072423608	216213874	/nfs/dbraw/zinc/21/38/74/216213874.db2.gz	GLBQYUKSAYXQQW-UHFFFAOYSA-N	-1	0	349.402	3.149	50	0		EGAARM
CCc1nc2sc([C@@H](c3cccs3)N3CCCC3)c([O-])n2n1	ZINC000022853017	212329570	/nfs/dbraw/zinc/32/95/70/212329570.db2.gz	WNPLWNGYHAKKPJ-GFCCVEGCSA-N	-1	0	334.470	3.306	50	0		EGAARM
Cc1cccc(OC(C)(C)C(=O)NCc2ccc(C(=O)[O-])o2)c1C	ZINC000221437901	241468125	/nfs/dbraw/zinc/46/81/25/241468125.db2.gz	RLCCZXNLHYPJNG-UHFFFAOYSA-N	-1	0	331.368	3.068	50	0		EGAARM
O=C([O-])[C@H]1CC=C(Cl)C[C@@H]1C(=O)Nc1nc2ccccc2s1	ZINC000004181302	304175838	/nfs/dbraw/zinc/17/58/38/304175838.db2.gz	JUWQMDZYNWZPIF-UWVGGRQHSA-N	-1	0	336.800	3.468	50	0		EGAARM
CCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccccc2)cc1OC	ZINC000012412055	211372535	/nfs/dbraw/zinc/37/25/35/211372535.db2.gz	HCIMYEKZXJYIRH-HNNXBMFYSA-N	-1	0	343.379	3.040	50	0		EGAARM
CC[C@@H](C)NC(=O)c1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1	ZINC000012403829	211369427	/nfs/dbraw/zinc/36/94/27/211369427.db2.gz	KJLJHAIVPDONBX-KCXAZCMYSA-N	-1	0	346.427	3.044	50	0		EGAARM
CCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1	ZINC000012138560	211303468	/nfs/dbraw/zinc/30/34/68/211303468.db2.gz	OORVBILJMCNYFV-UHFFFAOYSA-N	-1	0	340.379	3.119	50	0		EGAARM
CCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2c(F)cc(OC)cc2F)C1	ZINC000091547780	218020292	/nfs/dbraw/zinc/02/02/92/218020292.db2.gz	KXKATGNDUFCBRZ-QGZVFWFLSA-N	-1	0	341.354	3.081	50	0		EGAARM
CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cccc2ccccc21	ZINC000011691459	211235377	/nfs/dbraw/zinc/23/53/77/211235377.db2.gz	WVOXLAIMFUPQRG-UHFFFAOYSA-N	-1	0	341.388	3.363	50	0		EGAARM
CSCc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)o1	ZINC000092046471	218111058	/nfs/dbraw/zinc/11/10/58/218111058.db2.gz	PYYZLJUTPDGRNF-LSDHHAIUSA-N	-1	0	345.420	3.083	50	0		EGAARM
COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1	ZINC000010301969	211161900	/nfs/dbraw/zinc/16/19/00/211161900.db2.gz	XSUPZHWEZJDIKR-UHFFFAOYSA-N	-1	0	333.743	3.428	50	0		EGAARM
CCOc1ccc(Cl)cc1C=C(Sc1nc(C)n[nH]1)C(=O)[O-]	ZINC000009361266	211074493	/nfs/dbraw/zinc/07/44/93/211074493.db2.gz	MGUFCKLNDXIOAF-GHXNOFRVSA-N	-1	0	339.804	3.383	50	0		EGAARM
CCCCN1C(=O)[N-]C(=O)C(=C(C)Nc2ccc(C(C)C)cc2)C1=O	ZINC000009358625	211074014	/nfs/dbraw/zinc/07/40/14/211074014.db2.gz	BHXNWFHIPRFTQQ-SSZFMOIBSA-N	-1	0	343.427	3.374	50	0		EGAARM
O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(Br)c1	ZINC000005671032	210513080	/nfs/dbraw/zinc/51/30/80/210513080.db2.gz	RNUCHTKNUCXXPR-RYUDHWBXSA-N	-1	0	326.190	3.279	50	0		EGAARM
O=C([O-])c1nnn(-c2ccc(C(F)(F)F)cc2)c1-c1ccncc1	ZINC000067323688	304285415	/nfs/dbraw/zinc/28/54/15/304285415.db2.gz	RSWGBSJVXUEYSM-UHFFFAOYSA-N	-1	0	334.257	3.046	50	0		EGAARM
O=C([O-])c1ccc(N2CCCN(Cc3ccccc3F)C2=O)cc1	ZINC000034798153	132388496	/nfs/dbraw/zinc/38/84/96/132388496.db2.gz	GZUGQCFVCOSNPK-UHFFFAOYSA-N	-1	0	328.343	3.356	50	0		EGAARM
CC[C@@H](C(=O)[O-])n1cnc2sc(C)c(-c3ccccc3)c2c1=O	ZINC000002589021	286747661	/nfs/dbraw/zinc/74/76/61/286747661.db2.gz	LGPFPZPACCUANZ-LBPRGKRZSA-N	-1	0	328.393	3.469	50	0		EGAARM
COc1ccc([C@H]2CC(=O)c3ccccc3O2)c(C(=O)[O-])c1OC	ZINC000000518611	295247224	/nfs/dbraw/zinc/24/72/24/295247224.db2.gz	MUXUEWJEXAXFDA-OAHLLOKOSA-N	-1	0	328.320	3.109	50	0	biogenic	EGAARM
Cc1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])ccc1Br	ZINC000000402019	301360300	/nfs/dbraw/zinc/36/03/00/301360300.db2.gz	CDPVUHDUJSDMNP-NWDGAFQWSA-N	-1	0	338.201	3.363	50	0		EGAARM
Cc1cc([N-]S(=O)(=O)c2ccc(C)cc2)n(-c2ccccc2)n1	ZINC000000270746	301363676	/nfs/dbraw/zinc/36/36/76/301363676.db2.gz	HRAHXPGUFKXYLH-UHFFFAOYSA-N	-1	0	327.409	3.290	50	0		EGAARM
Cc1ccccc1OC1(C(=O)[O-])CCN(C(=O)[C@H]2CC23CCC3)CC1	ZINC000072410079	302106842	/nfs/dbraw/zinc/10/68/42/302106842.db2.gz	OJWOCQRELRMASO-OAHLLOKOSA-N	-1	0	343.423	3.010	50	0		EGAARM
Cc1nc(-c2nnc(SCC(=O)[O-])n2[C@@H](C)c2ccccc2)co1	ZINC000067757617	302538908	/nfs/dbraw/zinc/53/89/08/302538908.db2.gz	RMYWAFRDSGENDZ-JTQLQIEISA-N	-1	0	344.396	3.028	50	0		EGAARM
Cc1sc2ncn([C@H](C)C(=O)[O-])c(=O)c2c1-c1ccc(F)cc1	ZINC000000148212	452521435	/nfs/dbraw/zinc/52/14/35/452521435.db2.gz	PXSASSBOOFVYHK-MRVPVSSYSA-N	-1	0	332.356	3.218	50	0		EGAARM
Cc1ccc(S(=O)(=O)[N-]C(=O)N[C@@H]2CCCc3ccccc32)cc1	ZINC000000152235	452522983	/nfs/dbraw/zinc/52/29/83/452522983.db2.gz	HAIWZUBMWIKDPJ-QGZVFWFLSA-N	-1	0	344.436	3.061	50	0		EGAARM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccc(Cl)cc2C)cc1	ZINC000000228046	452540618	/nfs/dbraw/zinc/54/06/18/452540618.db2.gz	WWNZCBCXXSYATB-UHFFFAOYSA-N	-1	0	338.816	3.467	50	0		EGAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(SC)c2)c1	ZINC000000249096	452545586	/nfs/dbraw/zinc/54/55/86/452545586.db2.gz	KHYXUXAUMOEWHQ-UHFFFAOYSA-N	-1	0	339.438	3.227	50	0		EGAARM
Cc1c(OCc2ccc(C(=O)[O-])o2)ccc2c3c(c(=O)oc12)CCC3	ZINC000000319000	452565110	/nfs/dbraw/zinc/56/51/10/452565110.db2.gz	ABKKIHXIMHPKJH-UHFFFAOYSA-N	-1	0	340.331	3.460	50	0	biogenic	EGAARM
CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])c1ccccc1Br	ZINC000002585855	452706235	/nfs/dbraw/zinc/70/62/35/452706235.db2.gz	JLEZYQLFLYPMMA-LLVKDONJSA-N	-1	0	344.205	3.490	50	0		EGAARM
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1nc(-c2ccccc2)cs1	ZINC000002759744	452721145	/nfs/dbraw/zinc/72/11/45/452721145.db2.gz	JHVAVFCAELQJSD-CHWSQXEVSA-N	-1	0	328.393	3.416	50	0		EGAARM
CC1(C)[C@@H](C(=O)Nc2nc3c(s2)CCCC3)CC[C@]1(C)C(=O)[O-]	ZINC000003079632	452743031	/nfs/dbraw/zinc/74/30/31/452743031.db2.gz	RZKGSHKOELFAFT-BMLIUANNSA-N	-1	0	336.457	3.488	50	0		EGAARM
Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1C	ZINC000003195240	452747922	/nfs/dbraw/zinc/74/79/22/452747922.db2.gz	OKKFXFCGXAUYLY-UHFFFAOYSA-N	-1	0	339.800	3.456	50	0		EGAARM
Cc1ccc(C(=O)N2[C@@H](C(=O)[O-])CS[C@H]2c2ccccc2)cc1	ZINC000006663724	452964187	/nfs/dbraw/zinc/96/41/87/452964187.db2.gz	KVYGIPWXEZZRSM-WBVHZDCISA-N	-1	0	327.405	3.336	50	0		EGAARM
COc1ccc(Cl)cc1/C=C/C(=O)Nc1ccc(O)cc1C(=O)[O-]	ZINC000008186859	453175284	/nfs/dbraw/zinc/17/52/84/453175284.db2.gz	PYNIHILWPBDJPV-FARCUNLSSA-N	-1	0	347.754	3.404	50	0		EGAARM
Cc1ccc(-c2cc(C(=O)[O-])n3ncc(Br)c3n2)cc1	ZINC000036615737	453928130	/nfs/dbraw/zinc/92/81/30/453928130.db2.gz	XXJJLDXHFJUZAE-UHFFFAOYSA-N	-1	0	332.157	3.165	50	0		EGAARM
O=C([N-]c1nnc(-c2cccc(F)c2)o1)c1cc(-c2ccco2)on1	ZINC000044224956	454092218	/nfs/dbraw/zinc/09/22/18/454092218.db2.gz	TWNLEVLMEKOFEI-UHFFFAOYSA-N	-1	0	340.270	3.376	50	0		EGAARM
O=C([O-])c1cccc(N2CCC[C@H](COc3ccc(F)cc3)C2)n1	ZINC000095499277	454222765	/nfs/dbraw/zinc/22/27/65/454222765.db2.gz	LGHUVABDEJRRNG-ZDUSSCGKSA-N	-1	0	330.359	3.214	50	0		EGAARM
CCCCOc1cc2oc(=O)c(C(=O)[O-])cc2cc1Br	ZINC000072219790	454275760	/nfs/dbraw/zinc/27/57/60/454275760.db2.gz	YXZDPGNEYASZOS-UHFFFAOYSA-N	-1	0	341.157	3.433	50	0		EGAARM
O=C([O-])[C@@H]1CN(C(=O)c2cccc(Cl)c2Cl)C[C@H]1C1CC1	ZINC000091269933	454420862	/nfs/dbraw/zinc/42/08/62/454420862.db2.gz	DYPUKJLUIZXTON-WDEREUQCSA-N	-1	0	328.195	3.176	50	0		EGAARM
CSc1n[n-]c2nc3c(c(=O)n12)C1(CCCC1)Cc1ccccc1-3	ZINC000101150850	454469601	/nfs/dbraw/zinc/46/96/01/454469601.db2.gz	MFUAJZKXOYLGEV-UHFFFAOYSA-N	-1	0	338.436	3.174	50	0		EGAARM
CC(C)Oc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])nsc32)cc1	ZINC000065362450	454553982	/nfs/dbraw/zinc/55/39/82/454553982.db2.gz	GWMMIQDREJHWNA-NSHDSACASA-N	-1	0	332.381	3.103	50	0		EGAARM
COc1cccc(-c2oc3cc4c(cc3c2CC(=O)[O-])OCO4)c1	ZINC000524730859	459384814	/nfs/dbraw/zinc/38/48/14/459384814.db2.gz	ZWOJUORHCNJZMU-UHFFFAOYSA-N	-1	0	326.304	3.464	50	0	biogenic	EGAARM
Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCCC[C@@H]1c1ccc(F)cc1	ZINC000077504622	1292468748	/nfs/dbraw/zinc/46/87/48/1292468748.db2.gz	DWBAWDUIQJTNNN-QGZVFWFLSA-N	-1	0	339.370	3.474	50	0		EGAARM
C[C@H](Oc1ccc(CN2CC(c3ccccn3)C2)cc1Cl)C(=O)[O-]	ZINC001704349982	1416452820	/nfs/dbraw/zinc/45/28/20/1416452820.db2.gz	MQUAZSRUDUTROY-LBPRGKRZSA-N	-1	0	346.814	3.186	50	0		EGAARM
CCOc1ccc(CNc2ccccc2-c2nn[n-]n2)cc1OCC	ZINC000006659215	1424664056	/nfs/dbraw/zinc/66/40/56/1424664056.db2.gz	YVDBBYLJIORHTR-UHFFFAOYSA-N	-1	0	339.399	3.276	50	0		EGAARM
CCN(C(=O)CSc1nc(=O)c2sccc2[n-]1)c1ccccc1	ZINC000051317188	214087634	/nfs/dbraw/zinc/08/76/34/214087634.db2.gz	OVCVOPLRUKXGSJ-UHFFFAOYSA-N	-1	0	345.449	3.130	50	0		EGAARM
CCC[C@H](CC(=O)[O-])NC(=O)CCSCc1ccc(F)cc1	ZINC000055282928	214301307	/nfs/dbraw/zinc/30/13/07/214301307.db2.gz	WAOHZAGTKMTHMP-CQSZACIVSA-N	-1	0	327.421	3.209	50	0		EGAARM
Cc1ccc(SCc2cc(=O)n(-c3nc(C)cc(C)n3)[n-]2)cc1	ZINC000100130783	219092201	/nfs/dbraw/zinc/09/22/01/219092201.db2.gz	ZQINASOKHOLGOX-UHFFFAOYSA-N	-1	0	326.425	3.287	50	0		EGAARM
Cc1cccc(C(=O)[O-])c1N[C@@H]1SC(=O)N(c2ccccc2)C1=O	ZINC000004514049	210210359	/nfs/dbraw/zinc/21/03/59/210210359.db2.gz	NPRZDOBLCAAWIW-CQSZACIVSA-N	-1	0	342.376	3.331	50	0		EGAARM
CCCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1	ZINC000004450214	210193629	/nfs/dbraw/zinc/19/36/29/210193629.db2.gz	BXSBETBXZHTRCD-UHFFFAOYSA-N	-1	0	349.408	3.365	50	0		EGAARM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1nc(-c2ccccc2)cs1	ZINC000004164307	210136540	/nfs/dbraw/zinc/13/65/40/210136540.db2.gz	RPODMOJFOQMYGO-DHMWGJHJSA-N	-1	0	340.404	3.272	50	0		EGAARM
C[C@@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)[O-]	ZINC000003888399	210085439	/nfs/dbraw/zinc/08/54/39/210085439.db2.gz	BOSLYFPDZHNTDX-SECBINFHSA-N	-1	0	346.433	3.358	50	0		EGAARM
O=C([O-])COc1cccc(-n2ccc(-c3cc(Cl)ccc3O)n2)c1	ZINC000067851876	215232223	/nfs/dbraw/zinc/23/22/23/215232223.db2.gz	FHOSBHUQOPIVEO-UHFFFAOYSA-N	-1	0	344.754	3.362	50	0		EGAARM
CSCC[C@@H](Nc1ncnc2sc3c(c21)CCCC3)C(=O)[O-]	ZINC000001801970	209795263	/nfs/dbraw/zinc/79/52/63/209795263.db2.gz	SCVGTVXPYUKBDJ-SNVBAGLBSA-N	-1	0	337.470	3.188	50	0		EGAARM
CC(C)C[C@H](NC(=O)CCn1ccc2ccc(Cl)cc21)C(=O)[O-]	ZINC000040313088	213290737	/nfs/dbraw/zinc/29/07/37/213290737.db2.gz	GFLGZQFJWJGIBV-AWEZNQCLSA-N	-1	0	336.819	3.300	50	0	biogenic	EGAARM
Cn1cc(C(=O)[O-])c(C(=O)Nc2ccc(Nc3ccccc3)cc2)n1	ZINC000036617508	213103533	/nfs/dbraw/zinc/10/35/33/213103533.db2.gz	GIIVOMWKVMHNNY-UHFFFAOYSA-N	-1	0	336.351	3.114	50	0		EGAARM
Cc1nc2sc([C@@H](c3ccco3)N3CCC[C@H](C)C3)c([O-])n2n1	ZINC000033682124	212959080	/nfs/dbraw/zinc/95/90/80/212959080.db2.gz	KWIQCYJOJHPILY-GXFFZTMASA-N	-1	0	332.429	3.219	50	0		EGAARM
O=C([O-])c1ccccc1[C@H]1CCN(Cc2noc(-c3ccccc3)n2)C1	ZINC000072134762	216023123	/nfs/dbraw/zinc/02/31/23/216023123.db2.gz	KYHMGZJJRAGSPE-HNNXBMFYSA-N	-1	0	349.390	3.424	50	0		EGAARM
Cc1ccc(OC2(C(=O)[O-])CCN(C(=O)c3ccsc3)CC2)cc1	ZINC000072408795	216199974	/nfs/dbraw/zinc/19/99/74/216199974.db2.gz	WPGQPJJIAUHJIU-UHFFFAOYSA-N	-1	0	345.420	3.195	50	0		EGAARM
O=C([O-])CSc1nccc(-c2ncc(C(F)(F)F)cc2Cl)n1	ZINC000091695733	218049812	/nfs/dbraw/zinc/04/98/12/218049812.db2.gz	WHGUUPFVKIZVRF-UHFFFAOYSA-N	-1	0	349.721	3.388	50	0		EGAARM
COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccccc1	ZINC000009646291	211110160	/nfs/dbraw/zinc/11/01/60/211110160.db2.gz	JWGMNUYMIGCKIH-UHFFFAOYSA-N	-1	0	347.417	3.489	50	0		EGAARM
O=C([O-])c1cccc([C@H]2CCCN(C(=O)COc3ccccc3)C2)c1	ZINC000095359823	218293185	/nfs/dbraw/zinc/29/31/85/218293185.db2.gz	IZYDISRGELTNTM-KRWDZBQOSA-N	-1	0	339.391	3.170	50	0		EGAARM
Cn1cc(Cl)cc1C(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1	ZINC000095361959	218293960	/nfs/dbraw/zinc/29/39/60/218293960.db2.gz	ZNNBCLQDDYBLCQ-CQSZACIVSA-N	-1	0	346.814	3.397	50	0		EGAARM
COC([O-])=NC(=O)c1c(C)c(C)sc1NC(=O)c1cccs1	ZINC000005145033	210399587	/nfs/dbraw/zinc/39/95/87/210399587.db2.gz	CSVBSRVGLHHYFV-UHFFFAOYSA-N	-1	0	338.410	3.175	50	0		EGAARM
O=C([O-])/C(=C/c1ccc(Cl)cc1Cl)NC(=O)c1ccco1	ZINC000005059511	210378723	/nfs/dbraw/zinc/37/87/23/210378723.db2.gz	JDSQJPLENDCDFK-WDZFZDKYSA-N	-1	0	326.135	3.442	50	0		EGAARM
O=C([O-])c1csc(-n2nc3c(c2C(F)(F)F)CCCCC3)n1	ZINC000005274963	304281912	/nfs/dbraw/zinc/28/19/12/304281912.db2.gz	CAEQFGXYQDTCHK-UHFFFAOYSA-N	-1	0	331.319	3.315	50	0		EGAARM
COC(=O)c1cc(=O)c2cc(Br)c(Cl)c(C)c2[n-]1	ZINC000095644693	292002625	/nfs/dbraw/zinc/00/26/25/292002625.db2.gz	DFICLYSHRHABBR-UHFFFAOYSA-N	-1	0	330.565	3.451	50	0		EGAARM
Cc1ccc(S[C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)cc1	ZINC000013092446	275120477	/nfs/dbraw/zinc/12/04/77/275120477.db2.gz	OQBBSMSVLSSXNH-CYBMUJFWSA-N	-1	0	329.421	3.490	50	0		EGAARM
CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccc(Cl)cc2)C1	ZINC000006357310	278417761	/nfs/dbraw/zinc/41/77/61/278417761.db2.gz	NSBYJYHHDUOADW-STQMWFEESA-N	-1	0	325.792	3.375	50	0		EGAARM
CN1CCc2c(sc3[n-]c(=S)n(Cc4ccccc4)c(=O)c23)C1	ZINC000019866387	290252913	/nfs/dbraw/zinc/25/29/13/290252913.db2.gz	XIEGZAYJBQFRCC-UHFFFAOYSA-N	-1	0	343.477	3.157	50	0		EGAARM
Cc1ccccc1CC1(NC(=O)[C@H](C(=O)[O-])C2CCCCC2)CC1	ZINC000244724477	455276004	/nfs/dbraw/zinc/27/60/04/455276004.db2.gz	MUWJWBLYZHNIHV-QGZVFWFLSA-N	-1	0	329.440	3.467	50	0		EGAARM
Cc1ccc(C[C@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]2C)cc1	ZINC000000249135	452545879	/nfs/dbraw/zinc/54/58/79/452545879.db2.gz	FSEOBRZHMXJHRR-SUMWQHHRSA-N	-1	0	337.375	3.061	50	0		EGAARM
Cc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])cc2)c(Cl)c1	ZINC000000311963	452560610	/nfs/dbraw/zinc/56/06/10/452560610.db2.gz	AKWBJOQYBDPHSU-UHFFFAOYSA-N	-1	0	348.811	3.473	50	0		EGAARM
CC(C)c1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccccc2)cc1	ZINC000000379986	452573639	/nfs/dbraw/zinc/57/36/39/452573639.db2.gz	AJKLXWBDOWQANC-UHFFFAOYSA-N	-1	0	333.409	3.090	50	0		EGAARM
Cc1ccc(C[C@@H]2CC(=O)N(c3cccc(C=CC(=O)[O-])c3)C2=O)cc1	ZINC000000377131	452574681	/nfs/dbraw/zinc/57/46/81/452574681.db2.gz	DMZRLNQDZYFTFD-OAGJVSPASA-N	-1	0	349.386	3.215	50	0		EGAARM
COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)c(C)c1C	ZINC000000384697	452576371	/nfs/dbraw/zinc/57/63/71/452576371.db2.gz	XQRZKJKZAUAJHD-UHFFFAOYSA-N	-1	0	326.805	3.161	50	0		EGAARM
CCOc1ccc(NC(=O)C[C@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000000524480	452612179	/nfs/dbraw/zinc/61/21/79/452612179.db2.gz	ODTGEQICFDQNPZ-HNNXBMFYSA-N	-1	0	327.380	3.357	50	0		EGAARM
COc1cccc(-c2cc(C(F)(F)F)n3nc(C(=O)[O-])cc3n2)c1	ZINC000000902748	452639059	/nfs/dbraw/zinc/63/90/59/452639059.db2.gz	HOPCPFHPTMJOHS-UHFFFAOYSA-N	-1	0	337.257	3.122	50	0		EGAARM
Cc1ccccc1NC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3	ZINC000001247410	452648238	/nfs/dbraw/zinc/64/82/38/452648238.db2.gz	SSMTZTIPFKBAFH-UHFFFAOYSA-N	-1	0	334.375	3.214	50	0		EGAARM
Cc1ccccc1Cn1cnc2c1cc(C)c(C)c2[N-]S(C)(=O)=O	ZINC000001391864	452658433	/nfs/dbraw/zinc/65/84/33/452658433.db2.gz	LUPCQHWBVTUKBT-UHFFFAOYSA-N	-1	0	343.452	3.381	50	0		EGAARM
COc1ccc(N)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000002865658	452732336	/nfs/dbraw/zinc/73/23/36/452732336.db2.gz	NSLIZHANISQKLD-UHFFFAOYSA-N	-1	0	347.223	3.385	50	0		EGAARM
CCOc1ccc([C@@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1	ZINC000004028693	452790018	/nfs/dbraw/zinc/79/00/18/452790018.db2.gz	ATAAUEOFIFSLSY-MSOLQXFVSA-N	-1	0	336.391	3.255	50	0	biogenic	EGAARM
Cc1cccc(C(=O)N[C@H](C(=O)[O-])C23CC4CC(CC(C4)C2)C3)c1	ZINC000004185746	452798393	/nfs/dbraw/zinc/79/83/93/452798393.db2.gz	LXUPKNGVKLDZJH-SJFHUFEGSA-N	-1	0	327.424	3.394	50	0		EGAARM
O=c1[n-]c(Nc2ccc(F)c(Cl)c2)nnc1Cc1ccccc1	ZINC000005154487	452840011	/nfs/dbraw/zinc/84/00/11/452840011.db2.gz	OSWXSJIPNLJUIS-UHFFFAOYSA-N	-1	0	330.750	3.292	50	0		EGAARM
CCc1ccc(CC)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c1	ZINC000005234951	452849559	/nfs/dbraw/zinc/84/95/59/452849559.db2.gz	NQYCZQVOQCSBKM-UHFFFAOYSA-N	-1	0	333.409	3.310	50	0		EGAARM
CSCC[C@H](Nc1nc(C)nc2c3ccccc3oc21)C(=O)[O-]	ZINC000006320404	452935282	/nfs/dbraw/zinc/93/52/82/452935282.db2.gz	SHIGIJWQNCLILN-NSHDSACASA-N	-1	0	331.397	3.303	50	0		EGAARM
CCc1ccccc1NC(=O)[C@@H](Cc1cccc(C)c1)c1nnn[n-]1	ZINC000006359361	452938843	/nfs/dbraw/zinc/93/88/43/452938843.db2.gz	NJQYBAXYISGQLM-INIZCTEOSA-N	-1	0	335.411	3.036	50	0		EGAARM
O=S(=O)([N-]c1cnn(Cc2ccccc2)c1)c1ccc(F)cc1F	ZINC000014227449	453522767	/nfs/dbraw/zinc/52/27/67/453522767.db2.gz	NJPUHWSCPUIOTM-UHFFFAOYSA-N	-1	0	349.362	3.010	50	0		EGAARM
O=S(=O)([N-]c1ccn(Cc2ccc(F)cc2)n1)c1ccc(F)cc1	ZINC000014225537	453523341	/nfs/dbraw/zinc/52/33/41/453523341.db2.gz	XEAPALOOBQMVJA-UHFFFAOYSA-N	-1	0	349.362	3.010	50	0		EGAARM
CCc1nc2sc([C@H](c3ccco3)N3CCCCC3)c([O-])n2n1	ZINC000022853159	453699992	/nfs/dbraw/zinc/69/99/92/453699992.db2.gz	HAVNTGRGIZZMMV-ZDUSSCGKSA-N	-1	0	332.429	3.227	50	0		EGAARM
CSCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)[O-]	ZINC000025502814	453775649	/nfs/dbraw/zinc/77/56/49/453775649.db2.gz	HECMOUCFMHUWNN-INIZCTEOSA-N	-1	0	343.448	3.141	50	0		EGAARM
Cc1nc2c(C(=O)[O-])cnn2c(C)c1Cc1ccc(F)cc1Cl	ZINC000032917462	453897215	/nfs/dbraw/zinc/89/72/15/453897215.db2.gz	OHIMGKYJGJKFMN-UHFFFAOYSA-N	-1	0	333.750	3.428	50	0		EGAARM
Cc1ccc(Sc2ccc(N3CCC[C@@H](C(=O)[O-])C3)nn2)cc1	ZINC000040478923	453950911	/nfs/dbraw/zinc/95/09/11/453950911.db2.gz	JFZHSSWPEWZTOP-CYBMUJFWSA-N	-1	0	329.425	3.237	50	0		EGAARM
O=C([O-])[C@H]1CC(=O)N(c2ccc3nc(-c4cccc(F)c4)oc3c2)C1	ZINC000070461338	454169659	/nfs/dbraw/zinc/16/96/59/454169659.db2.gz	OARTUWBEUKAXRU-NSHDSACASA-N	-1	0	340.310	3.071	50	0		EGAARM
O=S(=O)([N-]c1ccccc1)c1ccc(Br)cc1F	ZINC000096170834	454297018	/nfs/dbraw/zinc/29/70/18/454297018.db2.gz	PVZFATREKMVKIL-UHFFFAOYSA-N	-1	0	330.178	3.389	50	0		EGAARM
COc1ccc(C)cc1NC(=O)c1csc([N-]c2ncccn2)n1	ZINC000049032193	454529052	/nfs/dbraw/zinc/52/90/52/454529052.db2.gz	HCEBYSGKDLTGTN-UHFFFAOYSA-N	-1	0	341.396	3.246	50	0		EGAARM
CCC[C@H](CC(=O)[O-])NC(=O)N(C)Cc1cccc(C(F)(F)F)c1	ZINC000426726714	457886473	/nfs/dbraw/zinc/88/64/73/457886473.db2.gz	GLDBLNRTLOPKTL-CYBMUJFWSA-N	-1	0	346.349	3.490	50	0		EGAARM
Cc1ccccc1CC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1	ZINC000585134158	459828183	/nfs/dbraw/zinc/82/81/83/459828183.db2.gz	GDLRNOCTCQHJGZ-CQSZACIVSA-N	-1	0	330.409	3.056	50	0		EGAARM
CCC(CC)C(=O)N1Cc2sc(C(=O)[O-])c(Br)c2C1	ZINC000585134331	459828335	/nfs/dbraw/zinc/82/83/35/459828335.db2.gz	NNWACXLFKHNZKF-UHFFFAOYSA-N	-1	0	346.246	3.487	50	0		EGAARM
COc1ccc2cc(S(=O)(=O)[N-]c3cccc(C)n3)ccc2c1	ZINC000041096195	472044612	/nfs/dbraw/zinc/04/46/12/472044612.db2.gz	SNRAEXFEYVREPA-UHFFFAOYSA-N	-1	0	328.393	3.353	50	0		EGAARM
C=CCn1c(=O)c(C(=O)Nc2ccccc2F)c([O-])c2ccccc21	ZINC000135647360	1293800094	/nfs/dbraw/zinc/80/00/94/1293800094.db2.gz	RNYCMNBBQABFHR-UHFFFAOYSA-N	-1	0	338.338	3.285	50	0		EGAARM
COc1cc2nc(-c3cc(Cl)c([O-])cc3F)nc(N)c2cc1OC	ZINC001772811789	1441417626	/nfs/dbraw/zinc/41/76/26/1441417626.db2.gz	ZDWGYJDJKVVIQL-UHFFFAOYSA-N	-1	0	349.749	3.394	50	0		EGAARM
Cc1ccc(C)c(NC(=O)CSc2nc(=O)c3sccc3[n-]2)c1	ZINC000051317191	214087801	/nfs/dbraw/zinc/08/78/01/214087801.db2.gz	LZOOTTJKFQUOLC-UHFFFAOYSA-N	-1	0	345.449	3.332	50	0		EGAARM
O=C(CSc1nc2ccccc2o1)Nc1cccc(C(=O)[O-])c1	ZINC000004699677	210251372	/nfs/dbraw/zinc/25/13/72/210251372.db2.gz	FVYVFBJRJVGBRT-UHFFFAOYSA-N	-1	0	328.349	3.257	50	0		EGAARM
COc1ccc(C(=O)CCNc2ccc(C(=O)[O-])cc2)cc1OC	ZINC000055174986	214283790	/nfs/dbraw/zinc/28/37/90/214283790.db2.gz	BWPNMQBBEJTENG-UHFFFAOYSA-N	-1	0	329.352	3.087	50	0	biogenic,in-vitro	EGAARM
O=C([O-])C[C@H](Cc1ccc(Cl)cc1)C(=O)NCc1ccccc1	ZINC000004602980	210230276	/nfs/dbraw/zinc/23/02/76/210230276.db2.gz	HBQYMPYUVWEVGD-HNNXBMFYSA-N	-1	0	331.799	3.290	50	0		EGAARM
O=c1cc(-c2ccccc2)nc2nc(SCc3ccccc3)[n-]n21	ZINC000100506277	219101219	/nfs/dbraw/zinc/10/12/19/219101219.db2.gz	DCGVEJDPJGVQTN-UHFFFAOYSA-N	-1	0	334.404	3.377	50	0		EGAARM
CC(C)c1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)cc1	ZINC000101417283	219126300	/nfs/dbraw/zinc/12/63/00/219126300.db2.gz	KRFUMRWDJXJWDX-ZWKOTPCHSA-N	-1	0	348.406	3.303	50	0		EGAARM
COC(=O)c1ccc(Nc2nnc(-c3ccc(C)cc3)c(=O)[n-]2)cc1	ZINC000004317196	210168938	/nfs/dbraw/zinc/16/89/38/210168938.db2.gz	LOWIGSSRQSYHAL-UHFFFAOYSA-N	-1	0	336.351	3.083	50	0		EGAARM
CCCCc1ccc(NC(=O)C[C@@H](NCc2ccco2)C(=O)[O-])cc1	ZINC000004318846	210168583	/nfs/dbraw/zinc/16/85/83/210168583.db2.gz	VQFVRHRJBGVWKJ-QGZVFWFLSA-N	-1	0	344.411	3.194	50	0		EGAARM
Cc1c(Br)cc(I)cc1C(=O)[O-]	ZINC000093097628	300908990	/nfs/dbraw/zinc/90/89/90/300908990.db2.gz	JGSFWZGJNRDWDV-UHFFFAOYSA-N	-1	0	340.942	3.060	50	0		EGAARM
CC(C)=CCC[C@]1(C)OC(=O)N(CCCCCC(=O)[O-])[C@]1(C)O	ZINC000004143412	210132009	/nfs/dbraw/zinc/13/20/09/210132009.db2.gz	JYNJXJGAWYBQLR-DLBZAZTESA-N	-1	0	327.421	3.297	50	0		EGAARM
O=C([O-])CSc1nc2ccccc2n1CCOc1ccccc1F	ZINC000004094992	210119163	/nfs/dbraw/zinc/11/91/63/210119163.db2.gz	AMZZFPSWIZDLPE-UHFFFAOYSA-N	-1	0	346.383	3.431	50	0		EGAARM
O=C([O-])[C@@H](Cc1ccccc1Cl)NC(=O)OCc1ccccc1	ZINC000039957000	213245680	/nfs/dbraw/zinc/24/56/80/213245680.db2.gz	LPDSUROFTBQSNW-OAHLLOKOSA-N	-1	0	333.771	3.262	50	0		EGAARM
O=C([O-])Cc1cc(F)c(Br)c(Br)c1F	ZINC000263623521	304088488	/nfs/dbraw/zinc/08/84/88/304088488.db2.gz	IFHOCKXIMBBWGU-UHFFFAOYSA-N	-1	0	329.922	3.117	50	0		EGAARM
Cc1ccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2C)cc1C	ZINC000000310402	209529350	/nfs/dbraw/zinc/52/93/50/209529350.db2.gz	HWILDXYIQPIZMW-UHFFFAOYSA-N	-1	0	342.420	3.437	50	0		EGAARM
O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)c2cccc3cccc(c32)C1=O	ZINC000003900908	304094445	/nfs/dbraw/zinc/09/44/45/304094445.db2.gz	SJGFGXSJCPZIMK-QGZVFWFLSA-N	-1	0	345.354	3.132	50	0		EGAARM
Cc1ccccc1OC1(C(=O)[O-])CCN(C(=O)[C@H]2CC=CCC2)CC1	ZINC000072409424	216200857	/nfs/dbraw/zinc/20/08/57/216200857.db2.gz	JDQPIUASGPBQFC-INIZCTEOSA-N	-1	0	343.423	3.176	50	0		EGAARM
O=C([O-])[C@@H](c1ccccc1)N1C(=O)c2cccc3cccc(c32)C1=O	ZINC000004832198	304097477	/nfs/dbraw/zinc/09/74/77/304097477.db2.gz	UPNIYDYJAMBWJR-QGZVFWFLSA-N	-1	0	331.327	3.262	50	0		EGAARM
O=C([O-])CCc1cc2n(n1)CCCN(Cc1ccc(Cl)s1)C2	ZINC000072448094	216237467	/nfs/dbraw/zinc/23/74/67/216237467.db2.gz	VAYYJHDPBQKRDX-UHFFFAOYSA-N	-1	0	339.848	3.021	50	0		EGAARM
O=C([O-])c1cc(-c2cccc(OC(F)F)c2)nc2c(Cl)cnn21	ZINC000020605201	212153011	/nfs/dbraw/zinc/15/30/11/212153011.db2.gz	FRIAWLIBAHFHDI-UHFFFAOYSA-N	-1	0	339.685	3.349	50	0		EGAARM
O=C([O-])CCC(=O)Nc1cnn(Cc2ccc(Cl)cc2Cl)c1	ZINC000020435870	212128635	/nfs/dbraw/zinc/12/86/35/212128635.db2.gz	HARWVHVGTMXKHU-UHFFFAOYSA-N	-1	0	342.182	3.042	50	0		EGAARM
COc1ccc(-c2cc(C(F)F)c3c(C)nn(CC(=O)[O-])c3n2)cc1	ZINC000012395310	211368001	/nfs/dbraw/zinc/36/80/01/211368001.db2.gz	HWGHIJUPXHPAKY-UHFFFAOYSA-N	-1	0	347.321	3.438	50	0		EGAARM
O=C([O-])[C@H](CO)n1cnc(-c2ccccc2)c1-c1ccc2[nH]ccc2c1	ZINC000092078871	218117303	/nfs/dbraw/zinc/11/73/03/218117303.db2.gz	JWOCDRZOBKGIHF-KRWDZBQOSA-N	-1	0	347.374	3.316	50	0		EGAARM
O=C([O-])c1ccccc1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1	ZINC000010296428	211161267	/nfs/dbraw/zinc/16/12/67/211161267.db2.gz	HQUSBJMZYXBBOH-HNNXBMFYSA-N	-1	0	341.363	3.195	50	0		EGAARM
O=C([O-])c1ccc(N2C(=O)C/C(=C/c3c[nH]c4ccccc34)C2=O)cc1	ZINC000009183944	211048496	/nfs/dbraw/zinc/04/84/96/211048496.db2.gz	BWZLQYBCXQQNAD-LCYFTJDESA-N	-1	0	346.342	3.213	50	0		EGAARM
Cc1ccccc1[C@H](C(=O)[O-])N(C)Cc1cc(-c2ccncc2)no1	ZINC000095378235	218311659	/nfs/dbraw/zinc/31/16/59/218311659.db2.gz	ZZEWKUUVPBFKAV-GOSISDBHSA-N	-1	0	337.379	3.303	50	0		EGAARM
CCc1ccc(C(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)[nH]1	ZINC000095382822	218315481	/nfs/dbraw/zinc/31/54/81/218315481.db2.gz	VFRGWBDRGKAGEJ-OAHLLOKOSA-N	-1	0	326.396	3.295	50	0		EGAARM
Cc1nn(C)cc1S(=O)(=O)[N-]c1ccccc1-c1ccccc1	ZINC000006698948	210682913	/nfs/dbraw/zinc/68/29/13/210682913.db2.gz	FCOBPODFQDCLCC-UHFFFAOYSA-N	-1	0	327.409	3.196	50	0		EGAARM
O=C([O-])c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3	ZINC000000275909	304229780	/nfs/dbraw/zinc/22/97/80/304229780.db2.gz	DCKWLYGFBWFABD-UHFFFAOYSA-N	-1	0	333.269	3.212	50	0		EGAARM
O=C([O-])c1cc2nc(C(F)(F)F)cc(-c3ccc(F)cc3)n2n1	ZINC000047474242	304229860	/nfs/dbraw/zinc/22/98/60/304229860.db2.gz	DBFYHFIWTDWLGF-UHFFFAOYSA-N	-1	0	325.221	3.252	50	0		EGAARM
O=C([O-])c1cnn(-c2cccc(Br)c2)c1C(F)(F)F	ZINC000035778641	304279722	/nfs/dbraw/zinc/27/97/22/304279722.db2.gz	YMZSGGCQNYKRBL-UHFFFAOYSA-N	-1	0	335.079	3.352	50	0		EGAARM
Cc1cc(C)c(C)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c1C	ZINC000002890586	301180685	/nfs/dbraw/zinc/18/06/85/301180685.db2.gz	YLYTXIQORGJGNT-UHFFFAOYSA-N	-1	0	333.409	3.419	50	0		EGAARM
Cc1cc(C)c(S(=O)(=O)Nc2ccsc2C(=O)[O-])c(C)c1	ZINC000035306400	301200860	/nfs/dbraw/zinc/20/08/60/301200860.db2.gz	RBBZXTWDIIRTEE-UHFFFAOYSA-N	-1	0	325.411	3.172	50	0		EGAARM
Cc1ccc(OC2(C(=O)[O-])CCN(C(=O)[C@H]3CC=CCC3)CC2)cc1	ZINC000072432216	301655642	/nfs/dbraw/zinc/65/56/42/301655642.db2.gz	YFNQUIQHKNKFMC-INIZCTEOSA-N	-1	0	343.423	3.176	50	0		EGAARM
COc1ccc(C(=O)N2Cc3ccccc3[N-]C2=S)cc1OC	ZINC000000031289	452491255	/nfs/dbraw/zinc/49/12/55/452491255.db2.gz	AKDIPSZQEUMBSI-UHFFFAOYSA-N	-1	0	328.393	3.057	50	0		EGAARM
CC[C@@H](C(=O)[O-])n1cnc2scc(-c3ccc(C)cc3)c2c1=O	ZINC000000098499	452507096	/nfs/dbraw/zinc/50/70/96/452507096.db2.gz	MRWAQKPNTRTKRT-ZDUSSCGKSA-N	-1	0	328.393	3.469	50	0		EGAARM
Cc1noc(-c2cc(Br)cc(Br)c2[O-])n1	ZINC000000182231	452529387	/nfs/dbraw/zinc/52/93/87/452529387.db2.gz	YIUYXKFKQQBODT-UHFFFAOYSA-N	-1	0	333.967	3.276	50	0		EGAARM
O=c1c2c3ccc(Br)c([O-])c3sc2nc2n1CCC2	ZINC000000195167	452532726	/nfs/dbraw/zinc/53/27/26/452532726.db2.gz	PCJYQCZDTDWCQW-UHFFFAOYSA-N	-1	0	337.198	3.026	50	0		EGAARM
CC(C)Oc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1	ZINC000000206839	452534864	/nfs/dbraw/zinc/53/48/64/452534864.db2.gz	NFKOKZMQZVOUBY-KRWDZBQOSA-N	-1	0	327.380	3.420	50	0		EGAARM
Cc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2)cc1C	ZINC000000310613	452560637	/nfs/dbraw/zinc/56/06/37/452560637.db2.gz	TULHQWKWGPUVQW-UHFFFAOYSA-N	-1	0	328.393	3.128	50	0		EGAARM
CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000000388694	452577672	/nfs/dbraw/zinc/57/76/72/452577672.db2.gz	XQIRYUNKLVPVRR-KRWDZBQOSA-N	-1	0	325.364	3.388	50	0		EGAARM
O=C(CCCn1c(=O)c2ccccc2[n-]c1=S)NC1CCCCC1	ZINC000000425037	452586828	/nfs/dbraw/zinc/58/68/28/452586828.db2.gz	DUFUTSZNVXARRN-UHFFFAOYSA-N	-1	0	345.468	3.288	50	0		EGAARM
O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc[nH]1	ZINC000000441051	452592152	/nfs/dbraw/zinc/59/21/52/452592152.db2.gz	RRKQGAUZSZJACE-XYOKQWHBSA-N	-1	0	331.784	3.340	50	0		EGAARM
CCOc1ccc(NC(=O)[C@@H](CC(=O)[O-])Cc2ccccc2)cc1	ZINC000000459418	452598884	/nfs/dbraw/zinc/59/88/84/452598884.db2.gz	YBEQWEMECKSBSO-OAHLLOKOSA-N	-1	0	327.380	3.357	50	0		EGAARM
C[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2	ZINC000000477046	452604514	/nfs/dbraw/zinc/60/45/14/452604514.db2.gz	DIULBGDXUPDKQD-JTQLQIEISA-N	-1	0	348.324	3.263	50	0		EGAARM
CCOc1ccc(NC(=O)C[C@@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000000524478	452612601	/nfs/dbraw/zinc/61/26/01/452612601.db2.gz	ODTGEQICFDQNPZ-OAHLLOKOSA-N	-1	0	327.380	3.357	50	0		EGAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c1	ZINC000000619074	452632841	/nfs/dbraw/zinc/63/28/41/452632841.db2.gz	XUPBEQVADWHTNV-UHFFFAOYSA-N	-1	0	341.816	3.466	50	0		EGAARM
Cc1cc(C)nc([N-]c2n[nH]c(-c3ccccc3Br)n2)n1	ZINC000001268662	452650368	/nfs/dbraw/zinc/65/03/68/452650368.db2.gz	WCQDZPAUTWNXRU-UHFFFAOYSA-N	-1	0	345.204	3.385	50	0		EGAARM
Cc1ccc(N2C(=O)S[C@@H](Nc3cccc(C(=O)[O-])c3)C2=O)cc1	ZINC000001318010	452652733	/nfs/dbraw/zinc/65/27/33/452652733.db2.gz	LCNGXJFWWDWQCM-CQSZACIVSA-N	-1	0	342.376	3.331	50	0		EGAARM
COc1ccc(NC(=O)[C@H](SCC(=O)[O-])c2ccccc2)cc1	ZINC000001402922	452662544	/nfs/dbraw/zinc/66/25/44/452662544.db2.gz	OVIPXACIEVHQEK-MRXNPFEDSA-N	-1	0	331.393	3.193	50	0		EGAARM
CCCC[C@@H](CCC(=O)Nc1ccc(C(=O)OCC)cc1)C(=O)[O-]	ZINC000002374609	452695041	/nfs/dbraw/zinc/69/50/41/452695041.db2.gz	KIHUQBFPLNMDSV-ZDUSSCGKSA-N	-1	0	335.400	3.473	50	0		EGAARM
O=C([O-])CC12C[C@H]3C[C@@H](C1)CC(n1nnc(-c4ccccc4)n1)(C3)C2	ZINC000002505977	452702285	/nfs/dbraw/zinc/70/22/85/452702285.db2.gz	YCPNBGBGMZIDEC-BAUKFBFWSA-N	-1	0	338.411	3.110	50	0		EGAARM
CCOC(=O)c1cc(C)sc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000002759329	452720855	/nfs/dbraw/zinc/72/08/55/452720855.db2.gz	UBWCQYVHYWIVBZ-QWRGUYRKSA-N	-1	0	339.413	3.063	50	0		EGAARM
CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1	ZINC000002964326	452736495	/nfs/dbraw/zinc/73/64/95/452736495.db2.gz	FAVVCHYAORQMHE-UHFFFAOYSA-N	-1	0	333.409	3.382	50	0		EGAARM
CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000003281079	452755730	/nfs/dbraw/zinc/75/57/30/452755730.db2.gz	OQZORFCSUZSIDR-UHFFFAOYSA-N	-1	0	343.763	3.002	50	0		EGAARM
CC1(C)CCCC2=C1C[C@H](C(=O)[O-])[C@H](C(=O)NCc1cccnc1)C2	ZINC000003863569	452785747	/nfs/dbraw/zinc/78/57/47/452785747.db2.gz	NETGOTNPMXBIPT-CVEARBPZSA-N	-1	0	342.439	3.315	50	0		EGAARM
CC(=O)N1CCCc2cc(NS(=O)(=O)c3cccc(C)c3)ccc21	ZINC000005328983	452858298	/nfs/dbraw/zinc/85/82/98/452858298.db2.gz	YVFYTAXCRRDHSN-UHFFFAOYSA-N	-1	0	344.436	3.095	50	0		EGAARM
S=c1[n-]nc(Cc2cccs2)n1-c1ccc2c(c1)OCCO2	ZINC000005555856	452881960	/nfs/dbraw/zinc/88/19/60/452881960.db2.gz	WWQNSVUBCOKPKX-UHFFFAOYSA-N	-1	0	331.422	3.353	50	0		EGAARM
Cc1ccc([C@@H](CC(=O)[O-])n2c(-c3ccncc3)n[nH]c2=S)cc1	ZINC000006009397	452915489	/nfs/dbraw/zinc/91/54/89/452915489.db2.gz	AZTPHVZOMDPAHG-CQSZACIVSA-N	-1	0	340.408	3.375	50	0		EGAARM
O=C([O-])c1ccc(N2C(=S)N=NC2CCc2ccccc2)cc1	ZINC000006402867	452941173	/nfs/dbraw/zinc/94/11/73/452941173.db2.gz	VVUROZMFUQKTBA-UHFFFAOYSA-N	-1	0	325.393	3.039	50	0		EGAARM
CC(=O)N(C)c1ccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])cc1	ZINC000006728953	452977992	/nfs/dbraw/zinc/97/79/92/452977992.db2.gz	ZYHUUPIZAORDHO-IAGOWNOFSA-N	-1	0	344.411	3.055	50	0		EGAARM
CC(=O)Nc1cccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])c1	ZINC000006726152	452978371	/nfs/dbraw/zinc/97/83/71/452978371.db2.gz	ADYVEIWMHIRONU-HZPDHXFCSA-N	-1	0	330.384	3.031	50	0		EGAARM
COc1cc(S(=O)(=O)[N-]c2ccc(C)cc2C)c(OC)cc1C	ZINC000008132582	453167514	/nfs/dbraw/zinc/16/75/14/453167514.db2.gz	NNEMOXCWGHYWPS-UHFFFAOYSA-N	-1	0	335.425	3.430	50	0		EGAARM
O=C([O-])c1cccnc1N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1	ZINC000067758003	453963435	/nfs/dbraw/zinc/96/34/35/453963435.db2.gz	DVTYWYFFWYIPDI-PKOBYXMFSA-N	-1	0	348.402	3.288	50	0		EGAARM
O=C([O-])[C@@]1(CCCc2ccccc2)CCCN(c2cnccn2)C1	ZINC000071748782	454213602	/nfs/dbraw/zinc/21/36/02/454213602.db2.gz	WWTCGVRKYYQRLA-IBGZPJMESA-N	-1	0	325.412	3.171	50	0		EGAARM
CC(C)[C@@H](Nc1nc(N)nc2ccc(C(=O)[O-])cc21)c1cccnc1	ZINC000065424011	454565375	/nfs/dbraw/zinc/56/53/75/454565375.db2.gz	ZCJXIGDZXVBNAK-OAHLLOKOSA-N	-1	0	337.383	3.114	50	0		EGAARM
CC(C)OCc1nnc(SCC(=O)[O-])n1-c1cccc(Cl)c1	ZINC000065432698	454567307	/nfs/dbraw/zinc/56/73/07/454567307.db2.gz	YLDYLONNSWZFFU-UHFFFAOYSA-N	-1	0	341.820	3.022	50	0		EGAARM
C[C@@]12O[C@H]3C[C@H]1C[C@@]1(CC[C@@H]4[C@](C)(C(=O)[O-])CCC[C@@]4(C)[C@H]31)[C@@H]2O	ZINC000252498835	455815118	/nfs/dbraw/zinc/81/51/18/455815118.db2.gz	RNEBMVMFRKVVMY-GOCTUUHOSA-N	-1	0	334.456	3.222	50	0	biogenic	EGAARM
COc1cccc(COc2cccc(-c3cnn(C)c3C(=O)[O-])c2)c1	ZINC000534673048	459346134	/nfs/dbraw/zinc/34/61/34/459346134.db2.gz	IPRWKHCNMNRBEG-UHFFFAOYSA-N	-1	0	338.363	3.373	50	0		EGAARM
COc1ccc(-c2nc(NCc3ccco3)ncc2C(=O)[O-])cc1	ZINC000169751235	564100011	/nfs/dbraw/zinc/10/00/11/564100011.db2.gz	QDEWHEVGDXAZQQ-UHFFFAOYSA-N	-1	0	325.324	3.056	50	0		EGAARM
Cn1c(=O)c(C(=O)Nc2ccc(Cl)cc2)c([O-])c2ccccc21	ZINC000006557234	1291047807	/nfs/dbraw/zinc/04/78/07/1291047807.db2.gz	LRPJGQKHQHBFQO-UHFFFAOYSA-N	-1	0	328.755	3.150	50	0		EGAARM
CO[C@@H]1CCC[C@@]12CCCN(c1nc3cc(C(=O)[O-])ccc3n1C)C2	ZINC001704298259	1416433137	/nfs/dbraw/zinc/43/31/37/1416433137.db2.gz	FURYVOWZAPOQOW-APWZRJJASA-N	-1	0	343.427	3.057	50	0		EGAARM
O=C(CSc1nc2ccccc2o1)Nc1ccccc1C(=O)[O-]	ZINC000004689848	210249385	/nfs/dbraw/zinc/24/93/85/210249385.db2.gz	AWHZJPWXLMXBRW-UHFFFAOYSA-N	-1	0	328.349	3.257	50	0		EGAARM
CC(C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc1	ZINC000004660903	210240407	/nfs/dbraw/zinc/24/04/07/210240407.db2.gz	JJBOIICDZLSRPQ-UHFFFAOYSA-N	-1	0	335.381	3.015	50	0		EGAARM
Cc1cccc(C(=O)[O-])c1N[C@H]1SC(=O)N(c2ccccc2)C1=O	ZINC000004514045	210209667	/nfs/dbraw/zinc/20/96/67/210209667.db2.gz	NPRZDOBLCAAWIW-AWEZNQCLSA-N	-1	0	342.376	3.331	50	0		EGAARM
CCc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1	ZINC000101167659	219118203	/nfs/dbraw/zinc/11/82/03/219118203.db2.gz	XXQKGXNBOAJTJZ-QZTJIDSGSA-N	-1	0	348.406	3.051	50	0		EGAARM
O=C([O-])CCc1ccc(-c2ccc(F)cc2)n1NC(=O)c1ccco1	ZINC000004195618	210143743	/nfs/dbraw/zinc/14/37/43/210143743.db2.gz	UOEKWXYCGHPOMF-UHFFFAOYSA-N	-1	0	342.326	3.288	50	0		EGAARM
CC[C@H](Sc1ccc2nnc(-c3ccc(C)cc3)n2n1)C(=O)[O-]	ZINC000004164869	210136926	/nfs/dbraw/zinc/13/69/26/210136926.db2.gz	JFHAGKVFATXAIS-LBPRGKRZSA-N	-1	0	328.397	3.055	50	0		EGAARM
CCC(=O)Nc1nc(C)c(-c2csc([N-]c3ncccn3)n2)s1	ZINC000004141454	210131459	/nfs/dbraw/zinc/13/14/59/210131459.db2.gz	NVOKYWSNWOSUEJ-UHFFFAOYSA-N	-1	0	346.441	3.457	50	0		EGAARM
COc1ccc(-c2nc3ccc(Cl)cc3n2O[C@H](C)C(=O)[O-])cc1	ZINC000004001965	210099084	/nfs/dbraw/zinc/09/90/84/210099084.db2.gz	OXDRERZUVMJGTN-SNVBAGLBSA-N	-1	0	346.770	3.267	50	0		EGAARM
CCCOc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2ccccc2)cc1	ZINC000003623493	210068947	/nfs/dbraw/zinc/06/89/47/210068947.db2.gz	AVOYRGCOYDNSKD-SFHVURJKSA-N	-1	0	341.407	3.350	50	0		EGAARM
CCCc1ccc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)cc1	ZINC000042783182	213533938	/nfs/dbraw/zinc/53/39/38/213533938.db2.gz	LTWQZKKJKJRALC-HOTGVXAUSA-N	-1	0	349.427	3.481	50	0		EGAARM
C[C@H](c1ccccc1)n1c(SCC(=O)[O-])nnc1-c1cccnc1	ZINC000067788132	215211798	/nfs/dbraw/zinc/21/17/98/215211798.db2.gz	MSNZJQLFLWOZNE-GFCCVEGCSA-N	-1	0	340.408	3.126	50	0		EGAARM
CO[C@@H](C)c1nnc(SCC(=O)[O-])n1-c1cccc2ccccc21	ZINC000067954710	215258820	/nfs/dbraw/zinc/25/88/20/215258820.db2.gz	ORTQKUHNYHWQNF-NSHDSACASA-N	-1	0	343.408	3.305	50	0		EGAARM
O=C([O-])CCO[C@H](Cc1cnccn1)c1ccc(C(F)(F)F)cc1	ZINC000001495013	209755016	/nfs/dbraw/zinc/75/50/16/209755016.db2.gz	AFMLTUYQSBFOMQ-CQSZACIVSA-N	-1	0	340.301	3.271	50	0		EGAARM
O=C([O-])C[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(F)(F)F	ZINC000055401546	304073663	/nfs/dbraw/zinc/07/36/63/304073663.db2.gz	WXWOMPLVZDQLIH-RDZWNTDESA-N	-1	0	333.350	3.115	50	0		EGAARM
Cc1ccccc1C[C@@]1(C(=O)[O-])CCCN(c2noc(C(C)C)n2)C1	ZINC000071762621	215817838	/nfs/dbraw/zinc/81/78/38/215817838.db2.gz	XBTFHEHQYXATRU-IBGZPJMESA-N	-1	0	343.427	3.415	50	0		EGAARM
O=C([O-])CCCNC(=O)Cn1c(-c2ccccc2)cc2ccccc21	ZINC000032094608	212786918	/nfs/dbraw/zinc/78/69/18/212786918.db2.gz	QRXDVWRYCMOVCP-UHFFFAOYSA-N	-1	0	336.391	3.289	50	0		EGAARM
O=C([O-])C1(Oc2cccc(F)c2)CCN(C(=O)c2ccsc2)CC1	ZINC000072426319	216216527	/nfs/dbraw/zinc/21/65/27/216216527.db2.gz	LYEXXGUHSDAGID-UHFFFAOYSA-N	-1	0	349.383	3.026	50	0		EGAARM
Cc1noc(C)c1CN(C)Cc1cc(Cl)ccc1OCC(=O)[O-]	ZINC000215688572	241140028	/nfs/dbraw/zinc/14/00/28/241140028.db2.gz	NAMRJIVJPWBGDD-UHFFFAOYSA-N	-1	0	338.791	3.040	50	0		EGAARM
Cc1oc([C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)nc1C(=O)[O-]	ZINC000218910835	241351719	/nfs/dbraw/zinc/35/17/19/241351719.db2.gz	RWJKXZBZQFDKFQ-CYBMUJFWSA-N	-1	0	346.383	3.490	50	0		EGAARM
Cc1cccc(C[C@H]2CC(=O)N(c3cccc(C=CC(=O)[O-])c3)C2=O)c1	ZINC000020028742	212094281	/nfs/dbraw/zinc/09/42/81/212094281.db2.gz	QXRFMJPUNITBRH-IJDCCNJMSA-N	-1	0	349.386	3.215	50	0		EGAARM
O=C([O-])Cn1nc(C2CC2)c2c1nc(C1CC1)cc2C(F)(F)F	ZINC000012395254	211367426	/nfs/dbraw/zinc/36/74/26/211367426.db2.gz	AFCQVXHNERZCGZ-UHFFFAOYSA-N	-1	0	325.290	3.290	50	0		EGAARM
CC(C)=CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(C(C)C)n[nH]2)C1	ZINC000091459399	218010239	/nfs/dbraw/zinc/01/02/39/218010239.db2.gz	JIGYDTWFUGAVIY-SFHVURJKSA-N	-1	0	333.432	3.196	50	0		EGAARM
CCCc1ncncc1C(=O)N1CCC[C@@](CC=C(C)C)(C(=O)[O-])C1	ZINC000091935259	218091842	/nfs/dbraw/zinc/09/18/42/218091842.db2.gz	WQGMTDLYXKLFGI-IBGZPJMESA-N	-1	0	345.443	3.092	50	0		EGAARM
CC(C)C(=O)Nc1cccc(NC(=O)c2ccccc2C(=O)[O-])c1	ZINC000009231669	211056420	/nfs/dbraw/zinc/05/64/20/211056420.db2.gz	CDJMLLRHXJSXOG-UHFFFAOYSA-N	-1	0	326.352	3.232	50	0		EGAARM
O=C([O-])c1ccc([C@@H]2CCCN(C(=O)NCc3ccco3)C2)cc1	ZINC000095381201	218313174	/nfs/dbraw/zinc/31/31/74/218313174.db2.gz	LNATTYVJYHBZHA-OAHLLOKOSA-N	-1	0	328.368	3.067	50	0		EGAARM
O=C([O-])c1ccc(N2C(=O)c3cccc4cccc(c43)C2=O)cc1O	ZINC000000437616	304246570	/nfs/dbraw/zinc/24/65/70/304246570.db2.gz	ZYNLTSSIEXTZOF-UHFFFAOYSA-N	-1	0	333.299	3.044	50	0		EGAARM
COc1ccc(OC)c(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])c1	ZINC000004976839	210346156	/nfs/dbraw/zinc/34/61/56/210346156.db2.gz	LOYKPULWUVGEGO-KGLIPLIRSA-N	-1	0	333.384	3.090	50	0		EGAARM
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1C	ZINC000004970454	210343993	/nfs/dbraw/zinc/34/39/93/210343993.db2.gz	BKPLGJGWPIWURE-UHFFFAOYSA-N	-1	0	326.805	3.161	50	0		EGAARM
O=C([O-])C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCO1	ZINC000000036409	208553868	/nfs/dbraw/zinc/55/38/68/208553868.db2.gz	DEVKFZDTYBKBAG-JOYOIKCWSA-N	-1	0	332.183	3.202	50	0		EGAARM
CC(C)c1ccc(OCC(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1	ZINC000004825639	210289437	/nfs/dbraw/zinc/28/94/37/210289437.db2.gz	RDXUNZCMFCKOGM-UHFFFAOYSA-N	-1	0	343.379	3.291	50	0		EGAARM
C[C@]12C[C@H](c3ccccc3O1)[C@H](C(=O)[O-])C(=O)N2Cc1ccccc1	ZINC000004770595	210274245	/nfs/dbraw/zinc/27/42/45/210274245.db2.gz	ACHKSQKUNCACKU-OXFYSEKESA-N	-1	0	337.375	3.012	50	0		EGAARM
O=C([O-])c1cccc(N2C(=O)c3ccc4c5c(ccc(c53)C2=O)CC4)c1	ZINC000001027920	304261148	/nfs/dbraw/zinc/26/11/48/304261148.db2.gz	CSKUWLYZOBZIIE-UHFFFAOYSA-N	-1	0	343.338	3.437	50	0		EGAARM
O=C([O-])c1cnn(-c2nc(C(F)(F)F)cs2)c1C(F)(F)F	ZINC000002513371	304280157	/nfs/dbraw/zinc/28/01/57/304280157.db2.gz	QILNZDFJBDJTPQ-UHFFFAOYSA-N	-1	0	331.197	3.065	50	0		EGAARM
CCOc1ccc(CCCC(=O)NC2(C(=O)[O-])CCCC2)cc1C	ZINC000299784632	258092051	/nfs/dbraw/zinc/09/20/51/258092051.db2.gz	IZQBSODPDNPRAC-UHFFFAOYSA-N	-1	0	333.428	3.230	50	0		EGAARM
O=C([O-])c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Cl	ZINC000005092688	304285091	/nfs/dbraw/zinc/28/50/91/304285091.db2.gz	IABDMKQIQLELPY-UHFFFAOYSA-N	-1	0	331.637	3.360	50	0		EGAARM
CC(=O)N1[C@@H](C(=O)[O-])Cc2c3ccccc3[nH]c2[C@H]1c1ccccc1	ZINC000000489381	278075126	/nfs/dbraw/zinc/07/51/26/278075126.db2.gz	RKISQQCZJAUBPR-IEBWSBKVSA-N	-1	0	334.375	3.115	50	0		EGAARM
CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccc(Cl)cc2)C1	ZINC000002576615	278417760	/nfs/dbraw/zinc/41/77/60/278417760.db2.gz	NSBYJYHHDUOADW-OLZOCXBDSA-N	-1	0	325.792	3.375	50	0		EGAARM
COc1ccc2nc(NC(=O)c3ccccc3C(=O)[O-])sc2c1	ZINC000000090051	295280286	/nfs/dbraw/zinc/28/02/86/295280286.db2.gz	UYRFFLDBIVSQBK-UHFFFAOYSA-N	-1	0	328.349	3.255	50	0		EGAARM
C[C@@H]1Oc2ccc(Cl)cc2N(Cc2ccc(C(=O)[O-])cc2)C1=O	ZINC000004226853	297653655	/nfs/dbraw/zinc/65/36/55/297653655.db2.gz	GZXCRGGUBWSAQQ-JTQLQIEISA-N	-1	0	331.755	3.352	50	0		EGAARM
C[C@]12[C@H](CC[C@@H]1C(=O)[O-])[C@H]1CC[C@H]3C[C@H](O)CC[C@]3(C)[C@@H]1C[C@H]2O	ZINC000257356681	300876178	/nfs/dbraw/zinc/87/61/78/300876178.db2.gz	JQJFMOYALOFIJZ-CSXQEGBMSA-N	-1	0	336.472	3.062	50	0		EGAARM
Cc1ccc2nc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])sc2c1	ZINC000004164292	301926649	/nfs/dbraw/zinc/92/66/49/301926649.db2.gz	JJKWXKZGNNDZNK-QOBDMFJFSA-N	-1	0	328.393	3.066	50	0		EGAARM
O=C([O-])[C@H]1CS[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)N1	ZINC000000140191	452517900	/nfs/dbraw/zinc/51/79/00/452517900.db2.gz	ZFRLMTNGSVCZMW-CVEARBPZSA-N	-1	0	333.384	3.193	50	0		EGAARM
CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)C2CCCCC2)cc1OC	ZINC000000203471	452535230	/nfs/dbraw/zinc/53/52/30/452535230.db2.gz	FNODCBXIDWFBKQ-OAHLLOKOSA-N	-1	0	349.427	3.306	50	0		EGAARM
O=C([O-])[C@H](CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H]1CCCO1	ZINC000000291769	452554803	/nfs/dbraw/zinc/55/48/03/452554803.db2.gz	UVDRCVQFHQOGIH-SKDRFNHKSA-N	-1	0	332.183	3.202	50	0		EGAARM
O=C([O-])CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1	ZINC000000386003	452578206	/nfs/dbraw/zinc/57/82/06/452578206.db2.gz	ZZBNJMPWLOZQRP-LLVKDONJSA-N	-1	0	334.422	3.352	50	0		EGAARM
Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1ccccc1	ZINC000000612332	452631839	/nfs/dbraw/zinc/63/18/39/452631839.db2.gz	KOZMWQBQHVMFDI-UHFFFAOYSA-N	-1	0	327.409	3.290	50	0		EGAARM
Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)[O-])cc1	ZINC000002661570	452714398	/nfs/dbraw/zinc/71/43/98/452714398.db2.gz	OUBOGOIHVZQFAD-UHFFFAOYSA-N	-1	0	325.773	3.147	50	0		EGAARM
O=C([O-])[C@H]1C[C@H]1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000003135721	452744257	/nfs/dbraw/zinc/74/42/57/452744257.db2.gz	JTIRSISIFPGBKY-BDAKNGLRSA-N	-1	0	341.207	3.383	50	0		EGAARM
O=C([O-])CNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21	ZINC000003207970	452748848	/nfs/dbraw/zinc/74/88/48/452748848.db2.gz	ALEAQVWMOSWFSI-UHFFFAOYSA-N	-1	0	340.766	3.370	50	0		EGAARM
CCc1ccc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc1	ZINC000004703561	452815563	/nfs/dbraw/zinc/81/55/63/452815563.db2.gz	COFNMXQHXDXIEY-UHFFFAOYSA-N	-1	0	340.423	3.396	50	0		EGAARM
CCCc1nc2ccccc2n1Cc1nc2ccccc2n1CC(=O)[O-]	ZINC000008715642	453227170	/nfs/dbraw/zinc/22/71/70/453227170.db2.gz	BCTNANDNDOLXAH-UHFFFAOYSA-N	-1	0	348.406	3.471	50	0		EGAARM
CCCCc1cc(=O)oc2c(C)c([O-])c(-c3ccnc(N)n3)cc12	ZINC000012898945	453422737	/nfs/dbraw/zinc/42/27/37/453422737.db2.gz	KMPDNLYICWJCPY-UHFFFAOYSA-N	-1	0	325.368	3.189	50	0	biogenic	EGAARM
Cc1ccc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)c(C)c1	ZINC000014632464	453539981	/nfs/dbraw/zinc/53/99/81/453539981.db2.gz	OJZLDMCNNYIUDJ-KBPBESRZSA-N	-1	0	335.400	3.145	50	0		EGAARM
O=C([O-])c1ccc(N2CCCN(Cc3ccc(F)cc3)C2=O)cc1	ZINC000015414076	453571766	/nfs/dbraw/zinc/57/17/66/453571766.db2.gz	YXWCOGMNNAVACY-UHFFFAOYSA-N	-1	0	328.343	3.356	50	0		EGAARM
CCCCCCNC(CC)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000020323959	453663927	/nfs/dbraw/zinc/66/39/27/453663927.db2.gz	KNWDYMZTWKQLRX-FOCLMDBBSA-N	-1	0	343.427	3.103	50	0		EGAARM
CCOc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c(C)cc1C	ZINC000032601635	453879117	/nfs/dbraw/zinc/87/91/17/453879117.db2.gz	CWNHDWKHXCXKLX-UHFFFAOYSA-N	-1	0	349.408	3.201	50	0		EGAARM
CCSc1ncc(-c2nccn2-c2cc(C(=O)[O-])ccc2F)cn1	ZINC000077440814	454106885	/nfs/dbraw/zinc/10/68/85/454106885.db2.gz	KDEWRFMFGRNPNT-UHFFFAOYSA-N	-1	0	344.371	3.279	50	0		EGAARM
COc1ccc2c(C)c(C(=O)N[C@H](CC(=O)[O-])c3ccco3)oc2c1	ZINC000095507499	454223487	/nfs/dbraw/zinc/22/34/87/454223487.db2.gz	SBZGSQZZHASALJ-CYBMUJFWSA-N	-1	0	343.335	3.289	50	0		EGAARM
O=C([O-])c1ccccc1-c1cn(CCc2c[nH]c3ccccc23)nn1	ZINC000091255045	454419244	/nfs/dbraw/zinc/41/92/44/454419244.db2.gz	NIVOUAVTMVXIAL-UHFFFAOYSA-N	-1	0	332.363	3.367	50	0		EGAARM
COc1ccc(C)cc1-n1c(SCC(=O)[O-])nnc1-c1ccco1	ZINC000065398485	454560189	/nfs/dbraw/zinc/56/01/89/454560189.db2.gz	MDDYKTLNFOVSRX-UHFFFAOYSA-N	-1	0	345.380	3.021	50	0		EGAARM
CC(C)[C@@H](CO)NC(=O)c1ccc(-c2ccc(O)c(Cl)c2)cc1	ZINC000426358859	457810683	/nfs/dbraw/zinc/81/06/83/457810683.db2.gz	CBSDNTJODBAEDX-MRXNPFEDSA-N	-1	0	333.815	3.459	50	0		EGAARM
COC(=O)c1ccc(Oc2c(C)oc3cc([O-])cc(O)c3c2=O)cc1	ZINC000111925415	1293113591	/nfs/dbraw/zinc/11/35/91/1293113591.db2.gz	VLHCCNGZAJNLJD-UHFFFAOYSA-N	-1	0	342.303	3.092	50	0		EGAARM
CC1(C)CN(C(=O)c2ccccc2-c2nn[n-]n2)C[C@@H]1c1ccccc1	ZINC000426711981	1425671812	/nfs/dbraw/zinc/67/18/12/1425671812.db2.gz	DLLPCNXXCCCZFM-QGZVFWFLSA-N	-1	0	347.422	3.133	50	0		EGAARM
COc1cccc([N-]S(=O)(=O)c2cc(-c3ccno3)cs2)c1	ZINC000049549228	214017547	/nfs/dbraw/zinc/01/75/47/214017547.db2.gz	PLWXQOGNWABQNR-UHFFFAOYSA-N	-1	0	336.394	3.213	50	0		EGAARM
COc1ccc(NC(=O)CSc2ccccc2C(=O)[O-])cc1OC	ZINC000003407866	210029387	/nfs/dbraw/zinc/02/93/87/210029387.db2.gz	YMYKFTOVLBWREI-UHFFFAOYSA-N	-1	0	347.392	3.133	50	0		EGAARM
O=C([O-])C1(Cc2ccccc2Cl)CCN(c2ncccn2)CC1	ZINC000071662214	304030564	/nfs/dbraw/zinc/03/05/64/304030564.db2.gz	NEOPSLCTADRPND-UHFFFAOYSA-N	-1	0	331.803	3.044	50	0		EGAARM
CC[C@@H](C)[C@H](NC(=O)CCn1ccc2c1cccc2Cl)C(=O)[O-]	ZINC000040312399	213290838	/nfs/dbraw/zinc/29/08/38/213290838.db2.gz	NWHZQAUOXMTVHJ-BZNIZROVSA-N	-1	0	336.819	3.300	50	0	biogenic	EGAARM
Cc1nc(-c2ccccc2F)sc1C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000040286459	213289236	/nfs/dbraw/zinc/28/92/36/213289236.db2.gz	CPMWXGXTUUWPIW-LLVKDONJSA-N	-1	0	348.399	3.194	50	0		EGAARM
O=C([O-])C[C@H](c1ccccc1Cl)N1C(=O)c2ccccc2C1=O	ZINC000001301229	209724639	/nfs/dbraw/zinc/72/46/39/209724639.db2.gz	BGSPLXDOZVSYNN-CQSZACIVSA-N	-1	0	329.739	3.152	50	0		EGAARM
COc1ccc(NC(=O)C[C@@H](Cc2ccc(C)cc2)C(=O)[O-])cc1	ZINC000035141829	213009742	/nfs/dbraw/zinc/00/97/42/213009742.db2.gz	SCCXFRHYRGSHKN-OAHLLOKOSA-N	-1	0	327.380	3.276	50	0		EGAARM
CC(C)c1nc(N2CCC(Cc3cccc(C(=O)[O-])c3)CC2)no1	ZINC000072156354	216046079	/nfs/dbraw/zinc/04/60/79/216046079.db2.gz	SQKBEKWZUWOULA-UHFFFAOYSA-N	-1	0	329.400	3.350	50	0		EGAARM
O=C([O-])c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1	ZINC000000311247	209528803	/nfs/dbraw/zinc/52/88/03/209528803.db2.gz	YUDKEHSLUZHWKS-UHFFFAOYSA-N	-1	0	334.784	3.165	50	0		EGAARM
COc1ccccc1-c1csc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)n1	ZINC000072401887	216194322	/nfs/dbraw/zinc/19/43/22/216194322.db2.gz	XFSYNAPPBLFGFJ-STQMWFEESA-N	-1	0	346.408	3.114	50	0		EGAARM
O=C([O-])[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccccc1	ZINC000000091038	209413420	/nfs/dbraw/zinc/41/34/20/209413420.db2.gz	VTULPAQMHCOZTG-GOSISDBHSA-N	-1	0	336.343	3.486	50	0		EGAARM
Cc1cccc(OC2(C(=O)[O-])CCN(C(=O)[C@@H]3CC=CCC3)CC2)c1	ZINC000072447886	216237418	/nfs/dbraw/zinc/23/74/18/216237418.db2.gz	HLDNMDYDMCDPGB-MRXNPFEDSA-N	-1	0	343.423	3.176	50	0		EGAARM
O=C([O-])C1(Oc2ccc(F)cc2)CCN(C(=O)[C@@H]2CC=CCC2)CC1	ZINC000072476748	216254264	/nfs/dbraw/zinc/25/42/64/216254264.db2.gz	MOULLLGKHYKSKR-CQSZACIVSA-N	-1	0	347.386	3.007	50	0		EGAARM
CC(C)C[C@H]1COCCN1Cc1cc(Cl)ccc1OCC(=O)[O-]	ZINC000243901752	243033542	/nfs/dbraw/zinc/03/35/42/243033542.db2.gz	BDOFFPNGHZXUQS-HNNXBMFYSA-N	-1	0	341.835	3.050	50	0		EGAARM
O=C([O-])c1cc(-c2ccc(OC(F)F)cc2)nc2c(Cl)cnn21	ZINC000020605622	212153274	/nfs/dbraw/zinc/15/32/74/212153274.db2.gz	NHCWOINHPTZDKU-UHFFFAOYSA-N	-1	0	339.685	3.349	50	0		EGAARM
O=C([O-])[C@@]1(Cc2ccc(F)cc2)CCCN(c2ncccc2F)C1	ZINC000071750181	304163369	/nfs/dbraw/zinc/16/33/69/304163369.db2.gz	OOVBRWMAKAASFH-GOSISDBHSA-N	-1	0	332.350	3.274	50	0		EGAARM
CC(C)=CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(C(C)C)n[nH]2)C1	ZINC000091459401	218010211	/nfs/dbraw/zinc/01/02/11/218010211.db2.gz	JIGYDTWFUGAVIY-GOSISDBHSA-N	-1	0	333.432	3.196	50	0		EGAARM
COc1cc2[n-]c(=S)n(Cc3cccs3)c(=O)c2cc1OC	ZINC000009330011	211068965	/nfs/dbraw/zinc/06/89/65/211068965.db2.gz	NEUVUQRWRMSZGA-UHFFFAOYSA-N	-1	0	334.422	3.186	50	0		EGAARM
CC(C)C(=O)Nc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1	ZINC000009230434	211057115	/nfs/dbraw/zinc/05/71/15/211057115.db2.gz	ZRYUGWZGHJPHCX-LSDHHAIUSA-N	-1	0	332.400	3.111	50	0		EGAARM
Cc1ccc(Cn2cc(/C=C3/NC(=O)[N-]C3=O)c3ccccc32)cc1	ZINC000009111425	211040829	/nfs/dbraw/zinc/04/08/29/211040829.db2.gz	KSXAAQRCCKSENO-LICLKQGHSA-N	-1	0	331.375	3.178	50	0		EGAARM
CCOc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1C	ZINC000009002241	211030147	/nfs/dbraw/zinc/03/01/47/211030147.db2.gz	LFOOXAUZPXSJSH-UHFFFAOYSA-N	-1	0	349.408	3.201	50	0		EGAARM
Cc1cc(C(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)c(C)n1C	ZINC000095373128	218305598	/nfs/dbraw/zinc/30/55/98/218305598.db2.gz	YDORAUGDUNODTD-QGZVFWFLSA-N	-1	0	340.423	3.360	50	0		EGAARM
Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(NC(=O)C2CC2)cc1	ZINC000008909074	211017231	/nfs/dbraw/zinc/01/72/31/211017231.db2.gz	BGDRVERHAIUVKZ-UHFFFAOYSA-N	-1	0	338.363	3.294	50	0		EGAARM
COc1ccc(Cl)cc1C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC000008189225	210910229	/nfs/dbraw/zinc/91/02/29/210910229.db2.gz	IWBSZTQVUXKUQJ-UHFFFAOYSA-N	-1	0	335.743	3.064	50	0		EGAARM
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(Br)c1	ZINC000005671028	210513564	/nfs/dbraw/zinc/51/35/64/210513564.db2.gz	RNUCHTKNUCXXPR-VXGBXAGGSA-N	-1	0	326.190	3.279	50	0		EGAARM
O=C([O-])c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O	ZINC000000060347	304251840	/nfs/dbraw/zinc/25/18/40/304251840.db2.gz	RPULTEWMPQHULS-UHFFFAOYSA-N	-1	0	336.130	3.492	50	0		EGAARM
COc1ccc(OC)c(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])c1	ZINC000004976840	210347125	/nfs/dbraw/zinc/34/71/25/210347125.db2.gz	LOYKPULWUVGEGO-ZIAGYGMSSA-N	-1	0	333.384	3.090	50	0		EGAARM
O=S(=O)([N-]c1ccc(Cl)cn1)c1ccc(Br)cc1	ZINC000000030290	208551438	/nfs/dbraw/zinc/55/14/38/208551438.db2.gz	SQSCFUAPLWCHHO-UHFFFAOYSA-N	-1	0	347.621	3.298	50	0		EGAARM
COc1ccc(/C=C(/C(=O)[O-])c2ccc(OC)c(OC)c2)cc1OC	ZINC000004831767	210290634	/nfs/dbraw/zinc/29/06/34/210290634.db2.gz	LRQNEBDGXKAKHW-NTEUORMPSA-N	-1	0	344.363	3.346	50	0		EGAARM
COc1cccc(CCNc2ncnc3sc(C(=O)[O-])c(C)c32)c1	ZINC000299759129	257950177	/nfs/dbraw/zinc/95/01/77/257950177.db2.gz	OPVRVTFLFWXMMW-UHFFFAOYSA-N	-1	0	343.408	3.361	50	0		EGAARM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O	ZINC000100432930	292018507	/nfs/dbraw/zinc/01/85/07/292018507.db2.gz	VTJFKHZYOMPUJU-UHFFFAOYSA-N	-1	0	340.404	3.088	50	0		EGAARM
O=C([O-])c1cc(NCc2cccc(Cl)c2)ccc1N1CCOCC1	ZINC000002350004	135657289	/nfs/dbraw/zinc/65/72/89/135657289.db2.gz	OXBOUDCXZWCYKU-UHFFFAOYSA-N	-1	0	346.814	3.487	50	0		EGAARM
O=C([O-])c1ccc(CNC(=O)Nc2ccc(Br)cc2)cc1	ZINC000013320254	453456993	/nfs/dbraw/zinc/45/69/93/453456993.db2.gz	ZFBKVKSMCMEMCC-UHFFFAOYSA-N	-1	0	349.184	3.469	50	0		EGAARM
O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1nnc(-c2cccs2)s1	ZINC000000205188	452535261	/nfs/dbraw/zinc/53/52/61/452535261.db2.gz	HDGGCXFEJDMDNK-BDAKNGLRSA-N	-1	0	337.426	3.096	50	0		EGAARM
COc1ccc(Nc2nc(N)nc(-c3cc(Cl)ccc3[O-])n2)cc1	ZINC000000347231	452568640	/nfs/dbraw/zinc/56/86/40/452568640.db2.gz	LNFQPMOGLVGIBY-UHFFFAOYSA-N	-1	0	343.774	3.232	50	0		EGAARM
CC(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1	ZINC000000378299	452573906	/nfs/dbraw/zinc/57/39/06/452573906.db2.gz	BIYWSLRZCGRNJO-UHFFFAOYSA-N	-1	0	326.352	3.232	50	0	biogenic	EGAARM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCC(C)C)cc1	ZINC000000382684	452575916	/nfs/dbraw/zinc/57/59/16/452575916.db2.gz	RVHAQSPMNAPLCR-UHFFFAOYSA-N	-1	0	346.452	3.182	50	0		EGAARM
O=C([N-]n1c(=O)c2ccccc2nc1-c1ccccc1)c1ccco1	ZINC000000507423	452610090	/nfs/dbraw/zinc/61/00/90/452610090.db2.gz	IUVBBDKATUUSGF-UHFFFAOYSA-N	-1	0	331.331	3.040	50	0		EGAARM
Cn1c2n[n-]c(=S)n2c2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3	ZINC000001245077	452649194	/nfs/dbraw/zinc/64/91/94/452649194.db2.gz	YHLJMGUKKIGVDE-MRVPVSSYSA-N	-1	0	348.497	3.456	50	0		EGAARM
CC(C)(C)OC(=O)N[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)[O-]	ZINC000002567678	452704307	/nfs/dbraw/zinc/70/43/07/452704307.db2.gz	SHMWDGGGZHFFRC-LLVKDONJSA-N	-1	0	333.306	3.226	50	0		EGAARM
Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000002730689	452716874	/nfs/dbraw/zinc/71/68/74/452716874.db2.gz	FKVPYYHSYHJQOL-SECBINFHSA-N	-1	0	341.289	3.108	50	0		EGAARM
Cc1ccc(S(=O)(=O)[N-]c2cnn(Cc3ccccc3F)c2)cc1	ZINC000002792168	452724292	/nfs/dbraw/zinc/72/42/92/452724292.db2.gz	YZJGKJOKOWHYET-UHFFFAOYSA-N	-1	0	345.399	3.180	50	0		EGAARM
Cc1ccc(Cc2n[n-]c(Nc3cccc(Cl)c3)nc2=O)cc1	ZINC000005154600	452839698	/nfs/dbraw/zinc/83/96/98/452839698.db2.gz	HBIMCDGULMOFJQ-UHFFFAOYSA-N	-1	0	326.787	3.461	50	0		EGAARM
CC(C)C[C@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)[O-]	ZINC000005219606	452847611	/nfs/dbraw/zinc/84/76/11/452847611.db2.gz	QMAHQQUXWLZAHB-NSHDSACASA-N	-1	0	334.294	3.206	50	0		EGAARM
CCOc1ccccc1[N-]S(=O)(=O)c1cc(CC)ccc1OC	ZINC000006702182	452972157	/nfs/dbraw/zinc/97/21/57/452972157.db2.gz	JIKLTXUGXJOQLB-UHFFFAOYSA-N	-1	0	335.425	3.457	50	0		EGAARM
COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000006706440	452973263	/nfs/dbraw/zinc/97/32/63/452973263.db2.gz	VPZJAUZMSZGFMW-UHFFFAOYSA-N	-1	0	337.831	3.050	50	0		EGAARM
COc1ccc([C@H]2[C@@H](C(=O)[O-])CCC(=O)N2Cc2ccccc2)cc1	ZINC000008729927	453228883	/nfs/dbraw/zinc/22/88/83/453228883.db2.gz	YIEUICZEWBOXGY-HKUYNNGSSA-N	-1	0	339.391	3.260	50	0		EGAARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cn2)c(C)c1	ZINC000013323039	453458180	/nfs/dbraw/zinc/45/81/80/453458180.db2.gz	DCDQKLHERXZTON-UHFFFAOYSA-N	-1	0	341.230	3.262	50	0		EGAARM
CCc1nc2sc([C@@H](c3ccco3)N3CCC[C@H](C)C3)c([O-])n2n1	ZINC000036104779	453926357	/nfs/dbraw/zinc/92/63/57/453926357.db2.gz	AEORYQAXPUGBGE-SMDDNHRTSA-N	-1	0	346.456	3.473	50	0		EGAARM
Cc1cc(C)c(S(=O)(=O)[N-]c2cccnc2)cc1Br	ZINC000041096797	453956589	/nfs/dbraw/zinc/95/65/89/453956589.db2.gz	ROUKETDENHESLU-UHFFFAOYSA-N	-1	0	341.230	3.262	50	0		EGAARM
Cc1ccc(CN(C)c2nccc(-c3cc(C(=O)[O-])ccn3)n2)cc1	ZINC000071763239	454215732	/nfs/dbraw/zinc/21/57/32/454215732.db2.gz	DASCOSPKCJOFNK-UHFFFAOYSA-N	-1	0	334.379	3.182	50	0		EGAARM
O=C([O-])c1ccnc(N2CCC[C@@H](COc3ccc(F)cc3)C2)c1	ZINC000095504661	454223905	/nfs/dbraw/zinc/22/39/05/454223905.db2.gz	BOEGLJXFDNZLHO-CYBMUJFWSA-N	-1	0	330.359	3.214	50	0		EGAARM
Cc1cc(=O)c(C2=NCCS[C@@H](c3cccc(O)c3)C2)c([O-])o1	ZINC000138376785	454791600	/nfs/dbraw/zinc/79/16/00/454791600.db2.gz	HSDLYKTWICXXIR-OAHLLOKOSA-N	-1	0	331.393	3.027	50	0		EGAARM
O=C([O-])Cn1ccc([C@H]2CCC[N@H+](Cc3ccc(Cl)s3)C2)n1	ZINC000426552337	457853769	/nfs/dbraw/zinc/85/37/69/457853769.db2.gz	MOLUINQQMWKTGX-NSHDSACASA-N	-1	0	339.848	3.062	50	0		EGAARM
Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)OC(C)(C)C)[C@H]3C(=O)[O-]	ZINC000585122803	459827378	/nfs/dbraw/zinc/82/73/78/459827378.db2.gz	NBBRPWFRRBRPQG-OAHLLOKOSA-N	-1	0	330.384	3.395	50	0		EGAARM
[O-]c1cc(I)c(Cl)cc1Br	ZINC000575674310	459991052	/nfs/dbraw/zinc/99/10/52/459991052.db2.gz	OTSGJMWRVJNQDH-UHFFFAOYSA-N	-1	0	333.350	3.413	50	0		EGAARM
CCCn1c2ccccc2c([O-])c(C(=O)Nc2ncccc2C)c1=O	ZINC000006493392	1291046755	/nfs/dbraw/zinc/04/67/55/1291046755.db2.gz	OHQKDNJKELDEKL-UHFFFAOYSA-N	-1	0	337.379	3.073	50	0		EGAARM
CC(C)[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1c[nH]nc1C(=O)[O-]	ZINC001704349563	1416452855	/nfs/dbraw/zinc/45/28/55/1416452855.db2.gz	SJRFIVJEIXYWPB-GOSISDBHSA-N	-1	0	338.411	3.345	50	0		EGAARM
CN(CCC[C@H]1CCCO1)c1noc(-c2ccccc2)c1C(=O)[O-]	ZINC001772707385	1441417076	/nfs/dbraw/zinc/41/70/76/1441417076.db2.gz	RLDAAYUQMKHUHJ-AWEZNQCLSA-N	-1	0	330.384	3.435	50	0		EGAARM
O=C(C[C@H]1CCc2ccccc21)Nc1ccc(Oc2nn[n-]n2)cc1	ZINC000827807419	1446145303	/nfs/dbraw/zinc/14/53/03/1446145303.db2.gz	NYAOAVUQDYHUEH-CYBMUJFWSA-N	-1	0	335.367	3.051	50	0		EGAARM
COc1ccccc1C1(CC(=O)[O-])CCN(C(=O)OC(C)(C)C)CC1	ZINC000098213970	219087954	/nfs/dbraw/zinc/08/79/54/219087954.db2.gz	NQZHBAIBOKWSER-UHFFFAOYSA-N	-1	0	349.427	3.439	50	0		EGAARM
Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1	ZINC000101260654	219120158	/nfs/dbraw/zinc/12/01/58/219120158.db2.gz	KKINEKKVDWWZJJ-HUUCEWRRSA-N	-1	0	340.770	3.146	50	0		EGAARM
Cc1ccccc1N1C(=O)C[C@@H](Sc2ccccc2C(=O)[O-])C1=O	ZINC000004158690	210134020	/nfs/dbraw/zinc/13/40/20/210134020.db2.gz	QWPRCIGYEPLAMY-OAHLLOKOSA-N	-1	0	341.388	3.117	50	0		EGAARM
CCOC(=O)c1csc([N-]c2nc3cc4c(cc3s2)OCO4)n1	ZINC000004137823	210129365	/nfs/dbraw/zinc/12/93/65/210129365.db2.gz	JVXBANHHLVPSFY-UHFFFAOYSA-N	-1	0	349.393	3.402	50	0		EGAARM
Cc1c(C(=O)[O-])sc2ncnc(N[C@@H](C)Cc3ncccc3C)c12	ZINC000067541956	215159507	/nfs/dbraw/zinc/15/95/07/215159507.db2.gz	IUPMFERLPVKNSL-JTQLQIEISA-N	-1	0	342.424	3.444	50	0		EGAARM
O=C([O-])[C@@H]1C[C@H](Cc2ccccc2)CN1C(=O)OCc1ccccc1	ZINC000039297573	213234033	/nfs/dbraw/zinc/23/40/33/213234033.db2.gz	KOJYRKKMDHAISI-ROUUACIJSA-N	-1	0	339.391	3.341	50	0		EGAARM
O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Br)cc1F	ZINC000000474119	209624906	/nfs/dbraw/zinc/62/49/06/209624906.db2.gz	TVJRALFTRVPIBO-ZJUUUORDSA-N	-1	0	344.180	3.418	50	0		EGAARM
O=C([O-])c1ccnc(-c2ccnc(COc3ccccc3Cl)n2)c1	ZINC000071755227	215813507	/nfs/dbraw/zinc/81/35/07/215813507.db2.gz	PKEUJIMKKIZMQI-UHFFFAOYSA-N	-1	0	341.754	3.469	50	0		EGAARM
Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3C(=O)[O-])C2)cc1O	ZINC000072140425	216028110	/nfs/dbraw/zinc/02/81/10/216028110.db2.gz	DDYJAZKYISUTKN-CQSZACIVSA-N	-1	0	325.364	3.029	50	0		EGAARM
Cc1cc(C)n(-c2cc(Cl)ccc2-c2cncc(C(=O)[O-])n2)n1	ZINC000216189516	241172588	/nfs/dbraw/zinc/17/25/88/241172588.db2.gz	GUGCDJZXIFVUBR-UHFFFAOYSA-N	-1	0	328.759	3.298	50	0		EGAARM
O=C([O-])c1ccc(-n2nnnc2SCc2ccc(Cl)cc2)cc1	ZINC000015869145	211866065	/nfs/dbraw/zinc/86/60/65/211866065.db2.gz	LJUMDBGKWRMLPG-UHFFFAOYSA-N	-1	0	346.799	3.306	50	0		EGAARM
COc1cccc(-c2cc(C(F)F)c3c(C)nn(CC(=O)[O-])c3n2)c1	ZINC000012395308	211367935	/nfs/dbraw/zinc/36/79/35/211367935.db2.gz	HFKFHIXQRLVWBP-UHFFFAOYSA-N	-1	0	347.321	3.438	50	0		EGAARM
O=S1(=O)[N-]C(SCc2ccccn2)=Nc2ccc(Cl)cc21	ZINC000009708803	211118291	/nfs/dbraw/zinc/11/82/91/211118291.db2.gz	AQAYVDABGALTNX-UHFFFAOYSA-N	-1	0	339.829	3.139	50	0		EGAARM
CSCc1noc(CN2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)n1	ZINC000095380873	218313743	/nfs/dbraw/zinc/31/37/43/218313743.db2.gz	JTERLWXURRHYFK-AWEZNQCLSA-N	-1	0	347.440	3.010	50	0		EGAARM
CCOc1ccc(Cl)cc1C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000008188969	210910080	/nfs/dbraw/zinc/91/00/80/210910080.db2.gz	DXLPNQOGHKSTTN-UHFFFAOYSA-N	-1	0	333.771	3.367	50	0		EGAARM
CCC(C)(C)c1nnc([N-]S(=O)(=O)Cc2ccccc2)s1	ZINC000006703987	210687747	/nfs/dbraw/zinc/68/77/47/210687747.db2.gz	QLIPRTAFWMZTGW-UHFFFAOYSA-N	-1	0	325.459	3.168	50	0		EGAARM
Cc1ccnc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2C)c1	ZINC000096305735	218741448	/nfs/dbraw/zinc/74/14/48/218741448.db2.gz	PSPDVWBAOBYODN-UHFFFAOYSA-N	-1	0	331.224	3.228	50	0		EGAARM
O=C([O-])c1ccc(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1	ZINC000000302690	304230699	/nfs/dbraw/zinc/23/06/99/304230699.db2.gz	VDZSJHZDAQVKLM-UHFFFAOYSA-N	-1	0	326.377	3.229	50	0		EGAARM
CCOc1ccc(Cc2n[n-]c(Nc3ccccc3F)nc2=O)cc1	ZINC000005154331	210401547	/nfs/dbraw/zinc/40/15/47/210401547.db2.gz	RWNZUMIYEWYPMB-UHFFFAOYSA-N	-1	0	340.358	3.037	50	0		EGAARM
O=C(c1ccc(Br)cc1)c1cc2ccc([O-])cc2oc1=O	ZINC000004937843	210329606	/nfs/dbraw/zinc/32/96/06/210329606.db2.gz	RHXQRQNFRVDIHD-UHFFFAOYSA-N	-1	0	345.148	3.492	50	0		EGAARM
O=C([O-])[C@@H]1CC[C@H](C(=O)NCCCSc2ccc(Cl)cc2)C1	ZINC000097217533	218998890	/nfs/dbraw/zinc/99/88/90/218998890.db2.gz	ASHDAPGEQVEXMB-NWDGAFQWSA-N	-1	0	341.860	3.439	50	0		EGAARM
O=C([O-])c1ccc(-c2cc3ccccc3s2)nc1N1CCOCC1	ZINC000299800306	258103496	/nfs/dbraw/zinc/10/34/96/258103496.db2.gz	WQPLCCLZMUSVMT-UHFFFAOYSA-N	-1	0	340.404	3.498	50	0		EGAARM
Cc1cccc(Cn2cc(/C=C3\NC(=O)[N-]C3=O)c3ccccc32)c1	ZINC000014009275	258056354	/nfs/dbraw/zinc/05/63/54/258056354.db2.gz	CAIZITLSFHLNOT-YVLHZVERSA-N	-1	0	331.375	3.178	50	0		EGAARM
CC(=O)N1[C@@H](C(=O)[O-])Cc2c3ccccc3[nH]c2[C@@H]1c1ccccc1	ZINC000000489382	278074986	/nfs/dbraw/zinc/07/49/86/278074986.db2.gz	RKISQQCZJAUBPR-MJGOQNOKSA-N	-1	0	334.375	3.115	50	0		EGAARM
CC(C)(C)OC(=O)N1CCC[C@](Cc2ccc(F)cc2)(C(=O)[O-])C1	ZINC000002513081	278395891	/nfs/dbraw/zinc/39/58/91/278395891.db2.gz	PIGMVBMBZVCFHU-GOSISDBHSA-N	-1	0	337.391	3.470	50	0		EGAARM
C[C@@]12[C@H](C(=O)[O-])CC[C@@H]1[C@H]1CC[C@H]3C[C@@H](O)CC[C@]3(C)[C@@H]1C[C@H]2O	ZINC000257345817	297943757	/nfs/dbraw/zinc/94/37/57/297943757.db2.gz	JQJFMOYALOFIJZ-SETKGQFJSA-N	-1	0	336.472	3.062	50	0		EGAARM
O=S1(=O)c2ccc(C(F)(F)F)cc2C([O-])=C1c1ccccc1	ZINC000071769464	304720509	/nfs/dbraw/zinc/72/05/09/304720509.db2.gz	WBBIFGGVCVJPCV-CQSZACIVSA-N	-1	0	326.295	3.417	50	0		EGAARM
Cc1ccc2nc(C)c(C)c(C(=O)N3CCCC[C@@H]3C(=O)[O-])c2c1	ZINC000095521366	301925280	/nfs/dbraw/zinc/92/52/80/301925280.db2.gz	XJSJQZHXBHZFRP-MRXNPFEDSA-N	-1	0	326.396	3.239	50	0		EGAARM
CC(C)C(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000000098467	452506330	/nfs/dbraw/zinc/50/63/30/452506330.db2.gz	WWTPDWGPDZPINT-UHFFFAOYSA-N	-1	0	326.352	3.232	50	0	biogenic	EGAARM
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000000094941	452506593	/nfs/dbraw/zinc/50/65/93/452506593.db2.gz	PNCIQZQDCYGQGQ-ZDUSSCGKSA-N	-1	0	336.775	3.142	50	0		EGAARM
CCOC(=O)c1nc2ccccc2c(Nc2cccc(C(=O)[O-])c2)n1	ZINC000000145902	452521448	/nfs/dbraw/zinc/52/14/48/452521448.db2.gz	JPGHAWOKTWJTEX-UHFFFAOYSA-N	-1	0	337.335	3.248	50	0		EGAARM
O=S(=O)(Nc1ccccc1C(F)(F)F)c1ccc2c(c1)CCO2	ZINC000000157660	452525153	/nfs/dbraw/zinc/52/51/53/452525153.db2.gz	BBNUOGDJLUKEMA-UHFFFAOYSA-N	-1	0	343.326	3.441	50	0		EGAARM
O=C([O-])CCCC(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1	ZINC000000466281	452601210	/nfs/dbraw/zinc/60/12/10/452601210.db2.gz	XBEKUGVNMKGWSX-UHFFFAOYSA-N	-1	0	341.323	3.190	50	0		EGAARM
Cc1cc2c(ncn2C)c([N-]S(=O)(=O)c2ccc(F)cc2)c1C	ZINC000001385929	452658455	/nfs/dbraw/zinc/65/84/55/452658455.db2.gz	BYXKACUKLNTEDX-UHFFFAOYSA-N	-1	0	333.388	3.130	50	0		EGAARM
CC[C@]1(c2ccccc2)C(=O)[N-]C(=O)N(C(=O)c2ccccc2)C1=O	ZINC000002899983	452734125	/nfs/dbraw/zinc/73/41/25/452734125.db2.gz	QMOWPJIFTHVQMB-IBGZPJMESA-N	-1	0	336.347	3.094	50	0	in-man	EGAARM
CCOc1ccc([C@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1	ZINC000004028692	452791007	/nfs/dbraw/zinc/79/10/07/452791007.db2.gz	ATAAUEOFIFSLSY-QZTJIDSGSA-N	-1	0	336.391	3.255	50	0	biogenic	EGAARM
Cn1c(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc2cc(Cl)ccc21	ZINC000005324980	452859282	/nfs/dbraw/zinc/85/92/82/452859282.db2.gz	SHGLFLBLWCBNKP-MRXNPFEDSA-N	-1	0	342.782	3.387	50	0		EGAARM
Cc1nn(C)cc1S(=O)(=O)[N-]c1ccccc1Oc1ccccc1	ZINC000006698567	452969983	/nfs/dbraw/zinc/96/99/83/452969983.db2.gz	ZUTIOGAPFZJIRI-UHFFFAOYSA-N	-1	0	343.408	3.322	50	0		EGAARM
COc1ccc(Nc2nnc(Cc3ccccc3Cl)c(=O)[n-]2)cc1	ZINC000008579113	453217424	/nfs/dbraw/zinc/21/74/24/453217424.db2.gz	ZBMFTFAJAFULFD-UHFFFAOYSA-N	-1	0	342.786	3.161	50	0	aggregator	EGAARM
Cc1c(C)n(Cc2ccco2)c2ncnc(SCCC(=O)[O-])c12	ZINC000016622341	453615587	/nfs/dbraw/zinc/61/55/87/453615587.db2.gz	LFGYOQLWZYOPQK-UHFFFAOYSA-N	-1	0	331.397	3.256	50	0		EGAARM
CC(C)OC(=O)c1ccsc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC000017071111	453628280	/nfs/dbraw/zinc/62/82/80/453628280.db2.gz	XIUMCHZIBTZQMA-WDEREUQCSA-N	-1	0	339.413	3.143	50	0		EGAARM
COc1ccc(OC)c(-n2c(-c3ccc(O)cc3O)n[n-]c2=S)c1	ZINC000018057383	453642328	/nfs/dbraw/zinc/64/23/28/453642328.db2.gz	JCXIMXAVQHEUIN-UHFFFAOYSA-N	-1	0	345.380	3.025	50	0		EGAARM
COc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1OC	ZINC000018194143	453647968	/nfs/dbraw/zinc/64/79/68/453647968.db2.gz	OJGLASKJDIRAAU-UHFFFAOYSA-N	-1	0	335.743	3.308	50	0		EGAARM
COc1cccc([C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C(=O)[O-])c1	ZINC000035571964	453924404	/nfs/dbraw/zinc/92/44/04/453924404.db2.gz	NTWGMYJAYZNBRS-HUUCEWRRSA-N	-1	0	335.400	3.263	50	0		EGAARM
CCOc1ccc(-c2ccnc(N[C@@H]3CCSC3)n2)cc1C(=O)[O-]	ZINC000077516220	454116614	/nfs/dbraw/zinc/11/66/14/454116614.db2.gz	JWRRMDBZCNLPGL-GFCCVEGCSA-N	-1	0	345.424	3.158	50	0		EGAARM
CC(C)(C)OC(=O)N[C@@](C)(C(=O)[O-])c1ccc(Br)cc1	ZINC000069550219	454118673	/nfs/dbraw/zinc/11/86/73/454118673.db2.gz	KXDMYNYXKAUFFF-CQSZACIVSA-N	-1	0	344.205	3.274	50	0		EGAARM
O=C([O-])[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)C2CCC2)C1	ZINC000071422276	454207798	/nfs/dbraw/zinc/20/77/98/454207798.db2.gz	ROIQVJZEAIELLU-SFHVURJKSA-N	-1	0	335.831	3.376	50	0		EGAARM
CCCCCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C)ccn1	ZINC000095946089	454235183	/nfs/dbraw/zinc/23/51/83/454235183.db2.gz	YPMIOOZLDQWJQN-UHFFFAOYSA-N	-1	0	348.468	3.490	50	0		EGAARM
Cn1cccc1CN(C(=O)C[C@@H](CC(=O)[O-])c1cccs1)C1CC1	ZINC000096024609	454263321	/nfs/dbraw/zinc/26/33/21/454263321.db2.gz	FEBGXEVQAFHJHR-ZDUSSCGKSA-N	-1	0	346.452	3.226	50	0		EGAARM
O=S(=O)([N-]c1ccc(-c2cnc3n2CCC3)cc1)c1cccs1	ZINC000090607231	454327775	/nfs/dbraw/zinc/32/77/75/454327775.db2.gz	WTWPZUYSBGZTAQ-UHFFFAOYSA-N	-1	0	345.449	3.359	50	0		EGAARM
CC(C)[C@H](CO)N(C)C(=O)c1ccc(-c2ccc(O)cc2F)cc1	ZINC000426720036	457883521	/nfs/dbraw/zinc/88/35/21/457883521.db2.gz	WQCGHHVUKLHDQZ-SFHVURJKSA-N	-1	0	331.387	3.287	50	0		EGAARM
CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C)ccn1	ZINC000095946017	473227724	/nfs/dbraw/zinc/22/77/24/473227724.db2.gz	MGWPNURZWOHICP-UHFFFAOYSA-N	-1	0	326.805	3.243	50	0		EGAARM
Cc1nc2sccc2c(N(C)Cc2nc(=O)c3sccc3[n-]2)n1	ZINC001772709368	1441417160	/nfs/dbraw/zinc/41/71/60/1441417160.db2.gz	JBCSICISUPCPCX-UHFFFAOYSA-N	-1	0	343.437	3.346	50	0		EGAARM
CCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C)cn2)c1=O	ZINC000100706606	219105142	/nfs/dbraw/zinc/10/51/42/219105142.db2.gz	QBBBVVDPPGCQLK-UHFFFAOYSA-N	-1	0	337.379	3.073	50	0		EGAARM
Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(C)c(C)c4)c=3c2=O)c1	ZINC000101261270	219119301	/nfs/dbraw/zinc/11/93/01/219119301.db2.gz	JXCOJGZDNDGPNS-ROUUACIJSA-N	-1	0	348.406	3.418	50	0		EGAARM
CCOc1ccc(-c2nnc(SC(F)F)n2CCC(=O)[O-])cc1	ZINC000004207385	210145264	/nfs/dbraw/zinc/14/52/64/210145264.db2.gz	NLJCAFIBAFOLPC-UHFFFAOYSA-N	-1	0	343.355	3.133	50	0		EGAARM
Cc1ccc(S(=O)(=O)[N-]C(=O)O[C@@H]2C[C@H]3C[C@@H]2[C@H]2C=CC[C@H]32)cc1	ZINC000004110278	210122598	/nfs/dbraw/zinc/12/25/98/210122598.db2.gz	IABLGVHYLVGUFH-USACIQFYSA-N	-1	0	347.436	3.011	50	0		EGAARM
O=C([O-])c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1	ZINC000003884636	210083626	/nfs/dbraw/zinc/08/36/26/210083626.db2.gz	USYPGRJORUFEPH-UHFFFAOYSA-N	-1	0	339.269	3.421	50	0		EGAARM
Cc1nc(-c2ccccc2Cl)sc1C(=O)NCCCC(=O)[O-]	ZINC000040285315	213288188	/nfs/dbraw/zinc/28/81/88/213288188.db2.gz	DWCUQKVMXJIKJA-UHFFFAOYSA-N	-1	0	338.816	3.367	50	0		EGAARM
Cc1cccc(N2C(=O)S[C@@H](Nc3cccc(C(=O)[O-])c3)C2=O)c1	ZINC000001516283	209756047	/nfs/dbraw/zinc/75/60/47/209756047.db2.gz	UBMGGFAYZVZEFJ-CQSZACIVSA-N	-1	0	342.376	3.331	50	0		EGAARM
O=C([O-])C1CCN(c2nc(-c3ccco3)cc(C(F)(F)F)n2)CC1	ZINC000002554398	304042285	/nfs/dbraw/zinc/04/22/85/304042285.db2.gz	KKRUPLJGYAXYEZ-UHFFFAOYSA-N	-1	0	341.289	3.056	50	0		EGAARM
O=C([O-])CCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1	ZINC000000378751	304044976	/nfs/dbraw/zinc/04/49/76/304044976.db2.gz	CQNMRKQLCWNVJS-AWEZNQCLSA-N	-1	0	328.393	3.291	50	0		EGAARM
Cc1c(NC(=O)c2ccccc2C(=O)[O-])cccc1NC(=O)C1CC1	ZINC000036567508	213100740	/nfs/dbraw/zinc/10/07/40/213100740.db2.gz	JYBZPAKZXLWBKW-UHFFFAOYSA-N	-1	0	338.363	3.294	50	0		EGAARM
O=C([O-])Cc1c(F)c(F)cc(Br)c1Br	ZINC000263624653	304087872	/nfs/dbraw/zinc/08/78/72/304087872.db2.gz	SHTPZMMNIKKIAH-UHFFFAOYSA-N	-1	0	329.922	3.117	50	0		EGAARM
CC(C)=C(NC(=O)c1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000000173645	209462864	/nfs/dbraw/zinc/46/28/64/209462864.db2.gz	KRLLWFWECBJRAJ-UHFFFAOYSA-N	-1	0	338.363	3.047	50	0		EGAARM
O=S(=O)(C=C([O-])c1ccc(Br)cc1)c1ccccc1	ZINC000000058221	209392861	/nfs/dbraw/zinc/39/28/61/209392861.db2.gz	JWHMVCXCZLETGB-UHFFFAOYSA-N	-1	0	339.210	3.106	50	0		EGAARM
CC(C)(C)OC(=O)N1CCC(Oc2ccc(F)cc2)(C(=O)[O-])CC1	ZINC000208722222	241068027	/nfs/dbraw/zinc/06/80/27/241068027.db2.gz	OCXKKTLFKNJDAN-UHFFFAOYSA-N	-1	0	339.363	3.059	50	0		EGAARM
Cc1nnc([C@H]2CCCN2Cc2c(Cl)ccc([O-])c2Cl)[nH]1	ZINC000216029764	241159925	/nfs/dbraw/zinc/15/99/25/241159925.db2.gz	MHYZSNAXRHFFQJ-LLVKDONJSA-N	-1	0	327.215	3.463	50	0		EGAARM
C[C@H](c1ccccc1)[C@@H]1CC(=O)N(c2cccc(C=CC(=O)[O-])c2)C1=O	ZINC000020028876	212094657	/nfs/dbraw/zinc/09/46/57/212094657.db2.gz	PYXOKILXRBHECR-UTBWHBDQSA-N	-1	0	349.386	3.468	50	0		EGAARM
O=C([O-])[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)OCc1ccccc1	ZINC000261508812	304195607	/nfs/dbraw/zinc/19/56/07/304195607.db2.gz	XEFKTZBOJCDHDB-NWDGAFQWSA-N	-1	0	331.290	3.051	50	0		EGAARM
Cn1cc(/C=C2\SC(=O)N(CCCC(=O)[O-])C2=O)c2ccccc21	ZINC000012492086	211392981	/nfs/dbraw/zinc/39/29/81/211392981.db2.gz	OXTWYQGVKDOAHN-ZROIWOOFSA-N	-1	0	344.392	3.079	50	0		EGAARM
CCC[C@@H]1CN(C(=O)c2c(F)ccc(C)c2Cl)C[C@H]1C(=O)[O-]	ZINC000091536637	218019665	/nfs/dbraw/zinc/01/96/65/218019665.db2.gz	GJBMXVMLGXJTMF-GHMZBOCLSA-N	-1	0	327.783	3.360	50	0		EGAARM
Cc1cc(C(=O)N2C[C@@H](c3ccccc3C)[C@H](C(=O)[O-])C2)c(C)o1	ZINC000091587482	218026792	/nfs/dbraw/zinc/02/67/92/218026792.db2.gz	LPLPPFVOJNNDHR-DLBZAZTESA-N	-1	0	327.380	3.145	50	0		EGAARM
O=C([O-])c1cccc([C@H]2CCCN(C(=O)CSCC3CC3)C2)c1	ZINC000095358454	218292467	/nfs/dbraw/zinc/29/24/67/218292467.db2.gz	SNBHXHUOQSCEEI-INIZCTEOSA-N	-1	0	333.453	3.234	50	0		EGAARM
Cc1ncsc1C(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1	ZINC000095357776	218292343	/nfs/dbraw/zinc/29/23/43/218292343.db2.gz	SYAMPWDPFVPSBL-AWEZNQCLSA-N	-1	0	330.409	3.170	50	0		EGAARM
O=C([O-])c1cccc(C[C@H]2CCN(C(=O)CCC(F)(F)F)C2)c1	ZINC000095371992	218305327	/nfs/dbraw/zinc/30/53/27/218305327.db2.gz	GXVBABKCXMLVGL-GFCCVEGCSA-N	-1	0	329.318	3.118	50	0		EGAARM
Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)cc1	ZINC000004809562	210283120	/nfs/dbraw/zinc/28/31/20/210283120.db2.gz	ASSOCMIBWKXEGA-UHFFFAOYSA-N	-1	0	325.773	3.147	50	0		EGAARM
O=C([O-])c1cn(-c2ccccc2F)c2c1NC(=O)C[C@@H]2C(F)(F)F	ZINC000078546648	304274064	/nfs/dbraw/zinc/27/40/64/304274064.db2.gz	XWEIONRRFGAIBB-QMMMGPOBSA-N	-1	0	342.248	3.303	50	0		EGAARM
O=S(=O)([O-])c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1	ZINC000004951414	304768562	/nfs/dbraw/zinc/76/85/62/304768562.db2.gz	XWBCFSPHSFEACS-UHFFFAOYSA-N	-1	0	336.800	3.201	50	0		EGAARM
COc1cccc([C@H]2CC(c3c([O-])cc(C)oc3=O)=NCCS2)c1	ZINC000000027326	452492328	/nfs/dbraw/zinc/49/23/28/452492328.db2.gz	UFCNJKKZCJDOHU-MRXNPFEDSA-N	-1	0	345.420	3.330	50	0	biogenic	EGAARM
O=C([O-])c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1	ZINC000000074474	452498049	/nfs/dbraw/zinc/49/80/49/452498049.db2.gz	NJEQBXPASRIDHG-UHFFFAOYSA-N	-1	0	345.298	3.204	50	0		EGAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1	ZINC000000249021	452546497	/nfs/dbraw/zinc/54/64/97/452546497.db2.gz	UOKZWCARHMVBML-UHFFFAOYSA-N	-1	0	345.779	3.297	50	0		EGAARM
O=C([O-])C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[C@@H]1CCCO1	ZINC000000333484	452565501	/nfs/dbraw/zinc/56/55/01/452565501.db2.gz	CTUIWXAHWPJHFP-SKDRFNHKSA-N	-1	0	332.183	3.202	50	0		EGAARM
COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1ncccc1C	ZINC000000384750	452575786	/nfs/dbraw/zinc/57/57/86/452575786.db2.gz	XAJMIFCQQRVMEE-UHFFFAOYSA-N	-1	0	326.805	3.161	50	0		EGAARM
CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000000388695	452578260	/nfs/dbraw/zinc/57/82/60/452578260.db2.gz	XQIRYUNKLVPVRR-QGZVFWFLSA-N	-1	0	325.364	3.388	50	0		EGAARM
COc1cc(NC(=O)CCCc2ccccc2)c(C(=O)[O-])cc1OC	ZINC000000462063	452598848	/nfs/dbraw/zinc/59/88/48/452598848.db2.gz	AZJIFEULPVEQKN-UHFFFAOYSA-N	-1	0	343.379	3.363	50	0		EGAARM
O=C([O-])CCC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1	ZINC000000462649	452599076	/nfs/dbraw/zinc/59/90/76/452599076.db2.gz	WSPMKJFUPPTOCO-UHFFFAOYSA-N	-1	0	337.335	3.207	50	0		EGAARM
CC(C)(C)c1ccc(Oc2nnnn2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000001060553	452643714	/nfs/dbraw/zinc/64/37/14/452643714.db2.gz	RZYCWVYNPUWSDL-UHFFFAOYSA-N	-1	0	338.367	3.450	50	0		EGAARM
O=C([O-])c1ccccc1N[C@@H]1SC(=O)N(c2ccccc2)C1=O	ZINC000001232440	452648767	/nfs/dbraw/zinc/64/87/67/452648767.db2.gz	NKAPDFVOPLTJOG-CYBMUJFWSA-N	-1	0	328.349	3.023	50	0		EGAARM
Cc1ccc2nc([N-]c3ncc4c(n3)CC(C)(C)CC4=O)nc(C)c2c1	ZINC000001261597	452651235	/nfs/dbraw/zinc/65/12/35/452651235.db2.gz	IIBLTCQPIQYFIA-UHFFFAOYSA-N	-1	0	347.422	3.357	50	0		EGAARM
CC1(C)CCCC2=C1C[C@H](C(=O)[O-])[C@@H](C(=O)NCc1cccnc1)C2	ZINC000003256161	452754777	/nfs/dbraw/zinc/75/47/77/452754777.db2.gz	NETGOTNPMXBIPT-HOTGVXAUSA-N	-1	0	342.439	3.315	50	0		EGAARM
Cc1ccc(Cc2nnc(Nc3ccccc3Cl)[n-]c2=O)cc1	ZINC000005154351	452840100	/nfs/dbraw/zinc/84/01/00/452840100.db2.gz	KKWRCNNFZVNYNY-UHFFFAOYSA-N	-1	0	326.787	3.461	50	0		EGAARM
O=c1[n-]c(Nc2cccc(Cl)c2)nnc1Cc1ccc(F)cc1	ZINC000005154601	452840418	/nfs/dbraw/zinc/84/04/18/452840418.db2.gz	UFCXVFVVJUQGAJ-UHFFFAOYSA-N	-1	0	330.750	3.292	50	0		EGAARM
O=C([O-])c1cc(Cl)cn(Cc2cccc(C(F)(F)F)c2)c1=O	ZINC000005248923	452851762	/nfs/dbraw/zinc/85/17/62/452851762.db2.gz	PSOKAGYBZNYHEB-UHFFFAOYSA-N	-1	0	331.677	3.267	50	0		EGAARM
O=C(COc1ccc(Cl)cc1)c1c(=O)oc2ccccc2c1[O-]	ZINC000005731624	452899381	/nfs/dbraw/zinc/89/93/81/452899381.db2.gz	YGFMLWZBAASSPK-UHFFFAOYSA-N	-1	0	330.723	3.414	50	0		EGAARM
CC(C)(C)OC(=O)N1C[C@H](OCc2ccccc2)C[C@H]1CC(=O)[O-]	ZINC000006363851	452938634	/nfs/dbraw/zinc/93/86/34/452938634.db2.gz	JMUKNEBKTDVWBE-LSDHHAIUSA-N	-1	0	335.400	3.056	50	0		EGAARM
CC(C)OC(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1	ZINC000006699445	452972093	/nfs/dbraw/zinc/97/20/93/452972093.db2.gz	YSSRKZUOAPFAFO-LSDHHAIUSA-N	-1	0	333.384	3.081	50	0		EGAARM
C[C@H](c1ccc2c(c1)OCO2)n1c(=O)c2ccccc2[n-]c1=S	ZINC000007277276	453053771	/nfs/dbraw/zinc/05/37/71/453053771.db2.gz	NWFCXWKCROVXRC-SNVBAGLBSA-N	-1	0	326.377	3.397	50	0		EGAARM
CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000008227407	453178091	/nfs/dbraw/zinc/17/80/91/453178091.db2.gz	JTRAEMIESZUYMS-UHFFFAOYSA-N	-1	0	339.800	3.318	50	0		EGAARM
COc1ccc(Cl)cc1Nc1nc(=O)c(-c2ccccc2)n[n-]1	ZINC000016806893	453622636	/nfs/dbraw/zinc/62/26/36/453622636.db2.gz	OQOKFEPMTULODC-UHFFFAOYSA-N	-1	0	328.759	3.238	50	0		EGAARM
COc1ccc(N(C)c2cc([N+](=O)[O-])ccc2C(=O)[O-])cc1OC	ZINC000019799321	453659625	/nfs/dbraw/zinc/65/96/25/453659625.db2.gz	GDBOICWCDAMJNY-UHFFFAOYSA-N	-1	0	332.312	3.078	50	0		EGAARM
COc1cccc(NC(=O)/C=C(\C(=O)[O-])c2ccc(Cl)cc2)c1	ZINC000022023142	453685420	/nfs/dbraw/zinc/68/54/20/453685420.db2.gz	FLVZPSOWEDMWFS-GDNBJRDFSA-N	-1	0	331.755	3.455	50	0		EGAARM
CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)s1	ZINC000032531945	453876619	/nfs/dbraw/zinc/87/66/19/453876619.db2.gz	RVISIYZNKYUQOH-UHFFFAOYSA-N	-1	0	325.411	3.034	50	0		EGAARM
CCc1cc(C(=O)N2CCC[C@](CCCOC)(C(=O)[O-])C2)cs1	ZINC000091351008	454429778	/nfs/dbraw/zinc/42/97/78/454429778.db2.gz	IZPBGUCLPNIJOD-QGZVFWFLSA-N	-1	0	339.457	3.044	50	0		EGAARM
Cc1ccccc1NC(=O)c1c([O-])c2cccc3c2n(c1=O)[C@@H](C)C3	ZINC000299738251	456778082	/nfs/dbraw/zinc/77/80/82/456778082.db2.gz	MXFIRERFRCEDLS-LBPRGKRZSA-N	-1	0	334.375	3.385	50	0		EGAARM
COc1ccccc1CNc1ncnc2sc(C(=O)[O-])c(C)c21	ZINC000299795707	456780590	/nfs/dbraw/zinc/78/05/90/456780590.db2.gz	MMIUSWIWSYADFV-UHFFFAOYSA-N	-1	0	329.381	3.319	50	0		EGAARM
O=C([O-])c1ccc(-c2ccc(C(=O)N3C[C@@H]4CC=CC[C@@H]4C3)cc2)nc1	ZINC000426436776	457830378	/nfs/dbraw/zinc/83/03/78/457830378.db2.gz	UJYOQBPJGXLBSW-HDICACEKSA-N	-1	0	348.402	3.485	50	0		EGAARM
COc1ccc2nc(NC(=O)[C@@H]3CC(C)=CC[C@H]3C(=O)[O-])sc2c1	ZINC000521398263	459147437	/nfs/dbraw/zinc/14/74/37/459147437.db2.gz	OUMCKLLKLDUBLJ-VXGBXAGGSA-N	-1	0	346.408	3.301	50	0		EGAARM
CCCCCc1ccc(-c2nccc(NCC(=O)[O-])n2)c(F)c1F	ZINC000534645973	459341345	/nfs/dbraw/zinc/34/13/45/459341345.db2.gz	WHTXTPLYVZDWNS-UHFFFAOYSA-N	-1	0	335.354	3.073	50	0		EGAARM
O=C([O-])[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000253189023	568415524	/nfs/dbraw/zinc/41/55/24/568415524.db2.gz	XOOXAQNBHBESGV-NXXSPTCGSA-N	-1	0	349.386	3.483	50	0		EGAARM
COc1cccc(-c2nccn2Cc2ccc(C(=O)[O-])s2)c1OC	ZINC000071753172	1292267885	/nfs/dbraw/zinc/26/78/85/1292267885.db2.gz	YWMLIVZMIYWLEP-UHFFFAOYSA-N	-1	0	344.392	3.375	50	0		EGAARM
COc1cccc(CNc2nnn[n-]2)c1OCc1ccc(Cl)cc1	ZINC000013494783	1424203988	/nfs/dbraw/zinc/20/39/88/1424203988.db2.gz	PJXQGQZFCQJEKK-UHFFFAOYSA-N	-1	0	345.790	3.053	50	0		EGAARM
Cc1cccc(-c2cccc(C(=O)N3CCC(c4nn[n-]n4)CC3)c2)c1	ZINC000299795949	1424356156	/nfs/dbraw/zinc/35/61/56/1424356156.db2.gz	MDCSSTQGDMFBSS-UHFFFAOYSA-N	-1	0	347.422	3.195	50	0		EGAARM
CC(=O)c1ccc(NC(=O)CSc2ccccc2C(=O)[O-])cc1	ZINC000004727913	210261942	/nfs/dbraw/zinc/26/19/42/210261942.db2.gz	JSAPQGITEYCARR-UHFFFAOYSA-N	-1	0	329.377	3.318	50	0		EGAARM
CCCn1c(=O)c(C(=O)Nc2ccc(O)cc2)c([O-])c2ccccc21	ZINC000100451866	219099932	/nfs/dbraw/zinc/09/99/32/219099932.db2.gz	CQDVLDCIJCDFNB-UHFFFAOYSA-N	-1	0	338.363	3.075	50	0		EGAARM
CCn1c2ccsc2c([O-])c(C(=O)Nc2ccc(C)c(F)c2)c1=O	ZINC000049409507	214005801	/nfs/dbraw/zinc/00/58/01/214005801.db2.gz	NGHGIFCCKUKOSH-UHFFFAOYSA-N	-1	0	346.383	3.488	50	0		EGAARM
Cn1[n-]nc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1=S	ZINC000101392557	219125964	/nfs/dbraw/zinc/12/59/64/219125964.db2.gz	PSLNIMTUSOPIJX-UHFFFAOYSA-N	-1	0	337.619	3.316	50	0		EGAARM
CCCCCC[C@H](O)C[C@@H](O)[C@@H](O)CCCCCCCC(=O)[O-]	ZINC000004026462	210103328	/nfs/dbraw/zinc/10/33/28/210103328.db2.gz	DJKUVMZEGIWUTP-YESZJQIVSA-N	-1	0	332.481	3.245	50	0	biogenic	EGAARM
Cn1cc(/C=C/c2nc(N)nc(-c3ccccc3[O-])n2)c2ccccc21	ZINC000003906354	210090646	/nfs/dbraw/zinc/09/06/46/210090646.db2.gz	ZBCZFMYNLXIMNO-ZHACJKMWSA-N	-1	0	343.390	3.489	50	0		EGAARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)CC12CC3CC(CC(C3)C1)C2	ZINC000003866362	210080340	/nfs/dbraw/zinc/08/03/40/210080340.db2.gz	KGZGOFICHUPWBA-QQABJKMWSA-N	-1	0	341.451	3.405	50	0		EGAARM
O=C([O-])c1cnn(-c2ccccc2Br)c1-n1cccc1	ZINC000044889913	213658927	/nfs/dbraw/zinc/65/89/27/213658927.db2.gz	TYRJDIWBHFATKR-UHFFFAOYSA-N	-1	0	332.157	3.124	50	0		EGAARM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000003096469	209961638	/nfs/dbraw/zinc/96/16/38/209961638.db2.gz	YSDNWNOGHQYWPK-XXHBBNRNSA-N	-1	0	326.179	3.455	50	0		EGAARM
O=S(=O)([N-]c1ccc(Br)cn1)c1cccc(Cl)c1	ZINC000068038574	215271230	/nfs/dbraw/zinc/27/12/30/215271230.db2.gz	OIWXQQOWBMRHFT-UHFFFAOYSA-N	-1	0	347.621	3.298	50	0		EGAARM
O=C([O-])CCCCC(=O)c1ccccc1I	ZINC000002579880	209870437	/nfs/dbraw/zinc/87/04/37/209870437.db2.gz	UJVVKJITTRJRDR-UHFFFAOYSA-N	-1	0	332.137	3.119	50	0		EGAARM
C[C@H](CCc1ccccc1)NC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)[O-]	ZINC000040488455	213318158	/nfs/dbraw/zinc/31/81/58/213318158.db2.gz	PQDZNBIUIOMHAV-MXQZTYMVSA-N	-1	0	329.440	3.261	50	0		EGAARM
CCc1ccc(-n2nnc(-c3nc(C)c(C(=O)[O-])s3)c2C)cc1	ZINC000040478836	213313938	/nfs/dbraw/zinc/31/39/38/213313938.db2.gz	YIRABQOCRSMYAZ-UHFFFAOYSA-N	-1	0	328.397	3.268	50	0		EGAARM
CC(C)(C)OC(=O)N[C@@H](CCCCOCc1ccccc1)C(=O)[O-]	ZINC000039778403	213241952	/nfs/dbraw/zinc/24/19/52/213241952.db2.gz	DBZKZRCKEODFMS-HNNXBMFYSA-N	-1	0	337.416	3.351	50	0		EGAARM
O=C([O-])CSCC(=O)Nc1ccc(Cl)cc1C(F)(F)F	ZINC000001388254	304072608	/nfs/dbraw/zinc/07/26/08/304072608.db2.gz	WBAKUVAMGCUVGK-UHFFFAOYSA-N	-1	0	327.711	3.115	50	0		EGAARM
Cc1ccc(Nc2ccc([N-]S(=O)(=O)c3cccs3)cc2)nn1	ZINC000035597961	213041412	/nfs/dbraw/zinc/04/14/12/213041412.db2.gz	XSDSEBZHPJYBIU-UHFFFAOYSA-N	-1	0	346.437	3.391	50	0		EGAARM
CC(=O)Nc1ccc(NC(=O)C[C@@H](CC(=O)[O-])c2ccccc2)cc1	ZINC000000152809	209456777	/nfs/dbraw/zinc/45/67/77/209456777.db2.gz	WKKMRBABBIWSPL-HNNXBMFYSA-N	-1	0	340.379	3.232	50	0		EGAARM
COc1cc(C)ccc1S(=O)(=O)[N-]c1cccc2cccnc21	ZINC000214077533	241095536	/nfs/dbraw/zinc/09/55/36/241095536.db2.gz	KPIKYQPQFANJPD-UHFFFAOYSA-N	-1	0	328.393	3.353	50	0		EGAARM
CC[C@@H](C)N1CNc2c(c(=O)[n-]c(=S)n2-c2cccc(C)c2C)C1	ZINC000020567376	212147640	/nfs/dbraw/zinc/14/76/40/212147640.db2.gz	CURQCINJVMJBAD-GFCCVEGCSA-N	-1	0	344.484	3.495	50	0		EGAARM
COc1ccc(CSc2nc(=O)c(-c3ccccc3)n[n-]2)cc1	ZINC000013629848	211594764	/nfs/dbraw/zinc/59/47/64/211594764.db2.gz	YDFVXMUBQVRJPE-UHFFFAOYSA-N	-1	0	325.393	3.133	50	0		EGAARM
O=C([O-])c1cccc(CN2C(=S)N=NC2c2cccc(F)c2F)c1	ZINC000012321068	211346612	/nfs/dbraw/zinc/34/66/12/211346612.db2.gz	GXOAMAQYMXKQMB-UHFFFAOYSA-N	-1	0	347.346	3.259	50	0		EGAARM
CCCCNC(=O)c1cccc(NC(=O)c2ccccc2C(=O)[O-])c1	ZINC000012138585	211303224	/nfs/dbraw/zinc/30/32/24/211303224.db2.gz	PYKHZMSWSIGLBK-UHFFFAOYSA-N	-1	0	340.379	3.167	50	0		EGAARM
Cc1[n-]n2c(nc(SCc3ccccn3)nc2=O)c1-c1ccccc1	ZINC000008979623	211025473	/nfs/dbraw/zinc/02/54/73/211025473.db2.gz	LLXVMHGLWZDGFX-UHFFFAOYSA-N	-1	0	349.419	3.080	50	0		EGAARM
CN(Cc1cc(-c2ccncc2)no1)c1ncc(C(=O)[O-])cc1Cl	ZINC000096163087	218638646	/nfs/dbraw/zinc/63/86/46/218638646.db2.gz	LFNNKUKWRDEEBL-UHFFFAOYSA-N	-1	0	344.758	3.120	50	0		EGAARM
CCCCC(=O)Nc1ccc(I)cc1C(=O)[O-]	ZINC000005711521	210522268	/nfs/dbraw/zinc/52/22/68/210522268.db2.gz	RITXZOCDIBSWPC-UHFFFAOYSA-N	-1	0	347.152	3.118	50	0		EGAARM
Cc1cc2oc(=O)sc2cc1[N-]S(=O)(=O)c1cccs1	ZINC000004914211	210320925	/nfs/dbraw/zinc/32/09/25/210320925.db2.gz	YAYUVAMIKMSPMJ-UHFFFAOYSA-N	-1	0	327.408	3.025	50	0		EGAARM
Cc1cc(C)c(S(=O)(=O)N(CC(=O)[O-])C2CCCCC2)c(C)c1	ZINC000000559304	258048703	/nfs/dbraw/zinc/04/87/03/258048703.db2.gz	YQJJKMKPGFAHIR-UHFFFAOYSA-N	-1	0	339.457	3.020	50	0		EGAARM
[O-]c1c(Br)ccc(Cl)c1I	ZINC000097437808	304844147	/nfs/dbraw/zinc/84/41/47/304844147.db2.gz	OWFGULOCNLYTKD-UHFFFAOYSA-N	-1	0	333.350	3.413	50	0		EGAARM
CC(C)Cn1c2ccccc2c([O-])c(C(=O)Nc2ccncc2)c1=O	ZINC000100673763	279257229	/nfs/dbraw/zinc/25/72/29/279257229.db2.gz	GJGJXIYRGWFMJH-UHFFFAOYSA-N	-1	0	337.379	3.010	50	0		EGAARM
COc1ccc(S(=O)(=O)[N-]c2cccc(C)n2)cc1C(C)(C)C	ZINC000008714949	295201161	/nfs/dbraw/zinc/20/11/61/295201161.db2.gz	CGQSOZRPKUOCLL-UHFFFAOYSA-N	-1	0	334.441	3.497	50	0		EGAARM
C[C@H]1CCc2c(sc3[n-]c(=S)n(Cc4cnn(C)c4)c(=O)c23)C1	ZINC000017072166	300087734	/nfs/dbraw/zinc/08/77/34/300087734.db2.gz	WQZZAZHKRIPLJD-VIFPVBQESA-N	-1	0	346.481	3.027	50	0		EGAARM
COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccccc2Cl)cc1	ZINC000000203411	452535847	/nfs/dbraw/zinc/53/58/47/452535847.db2.gz	JZWKNJGQHHQXME-HNNXBMFYSA-N	-1	0	333.771	3.294	50	0		EGAARM
CCOC(=O)c1cc(C(C)C)sc1NC(=O)CCCC(=O)[O-]	ZINC000000215156	452538866	/nfs/dbraw/zinc/53/88/66/452538866.db2.gz	GSBMCHAATVWUES-UHFFFAOYSA-N	-1	0	327.402	3.242	50	0		EGAARM
O=C([O-])c1ccc2c3c(cccc13)C(=O)N(c1cccc(O)c1)C2=O	ZINC000000234587	452543807	/nfs/dbraw/zinc/54/38/07/452543807.db2.gz	DPGFSWKXKILALK-UHFFFAOYSA-N	-1	0	333.299	3.044	50	0		EGAARM
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)[O-])cc1	ZINC000000277550	452552076	/nfs/dbraw/zinc/55/20/76/452552076.db2.gz	PSRBPWWNHRUUQP-UHFFFAOYSA-N	-1	0	339.800	3.004	50	0		EGAARM
COc1cc(OC)c([N-]S(=O)(=O)c2ccccc2C)cc1Cl	ZINC000000364275	452572189	/nfs/dbraw/zinc/57/21/89/452572189.db2.gz	WRSOWRALXOBEHM-UHFFFAOYSA-N	-1	0	341.816	3.466	50	0		EGAARM
Cc1cccc(N2C(=O)C[C@H](Sc3ccccc3C(=O)[O-])C2=O)c1	ZINC000000457778	452599090	/nfs/dbraw/zinc/59/90/90/452599090.db2.gz	ORKFBYIPMPEPIJ-HNNXBMFYSA-N	-1	0	341.388	3.117	50	0		EGAARM
CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000000479486	452604053	/nfs/dbraw/zinc/60/40/53/452604053.db2.gz	HWCXGOSOXDBVRY-CYBMUJFWSA-N	-1	0	332.425	3.016	50	0		EGAARM
CC[C@@H](C)C1C(=O)N=C(SCC(=O)Nc2ccccc2C)N=C1[O-]	ZINC000000503794	452607892	/nfs/dbraw/zinc/60/78/92/452607892.db2.gz	BBKHYBKUUIMVBK-SNVBAGLBSA-N	-1	0	347.440	3.028	50	0		EGAARM
CC[C@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000001085110	452645205	/nfs/dbraw/zinc/64/52/05/452645205.db2.gz	IILHURVYVFCVLC-RCBQFDQVSA-N	-1	0	345.395	3.247	50	0		EGAARM
CCCC[C@@H](Nc1ncnc2ccc(Br)cc21)C(=O)[O-]	ZINC000001912285	452680789	/nfs/dbraw/zinc/68/07/89/452680789.db2.gz	GNNFTKZYDJXRCE-GFCCVEGCSA-N	-1	0	338.205	3.448	50	0		EGAARM
Cc1nc2sc3c(c2c2nc(/C=C/C(=O)[O-])nn21)[C@@H](C)CCC3	ZINC000002323687	452692963	/nfs/dbraw/zinc/69/29/63/452692963.db2.gz	UZXXGKUKUBLYJW-CZEYKFRCSA-N	-1	0	328.397	3.185	50	0		EGAARM
CCC(CC)c1nnc([N-]S(=O)(=O)c2ccc(F)cc2)s1	ZINC000002735001	452719009	/nfs/dbraw/zinc/71/90/09/452719009.db2.gz	MHSQQRMXORKSOI-UHFFFAOYSA-N	-1	0	329.422	3.382	50	0		EGAARM
Cc1ccc(-c2ccc(CCC(=O)[O-])n2NC(=O)c2ccco2)cc1	ZINC000002881303	452733275	/nfs/dbraw/zinc/73/32/75/452733275.db2.gz	PNALSNHNXQVTMN-UHFFFAOYSA-N	-1	0	338.363	3.458	50	0		EGAARM
CCCCN(CC)S(=O)(=O)c1ccc2oc(C(=O)[O-])c(C)c2c1	ZINC000002944848	452736087	/nfs/dbraw/zinc/73/60/87/452736087.db2.gz	ZNAUAGCDXWZECI-UHFFFAOYSA-N	-1	0	339.413	3.250	50	0		EGAARM
Cc1cc([O-])c(C2=NCCS[C@H](c3ccccc3O)C2)c(=O)o1	ZINC000005730256	452899887	/nfs/dbraw/zinc/89/98/87/452899887.db2.gz	CRWFUOOQLGQOFW-HNNXBMFYSA-N	-1	0	331.393	3.027	50	0	biogenic	EGAARM
CCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)[O-])cc2)cc1OC	ZINC000005953716	452911478	/nfs/dbraw/zinc/91/14/78/452911478.db2.gz	IEJSDFDOSTXOEX-VZUCSPMQSA-N	-1	0	341.363	3.444	50	0		EGAARM
COc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)c(OC)cc1Cl	ZINC000006703508	452973847	/nfs/dbraw/zinc/97/38/47/452973847.db2.gz	MOGFTDXEWAKWIF-UHFFFAOYSA-N	-1	0	345.779	3.297	50	0		EGAARM
CC(=O)Nc1cccc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])c1	ZINC000006726154	452977404	/nfs/dbraw/zinc/97/74/04/452977404.db2.gz	ADYVEIWMHIRONU-JKSUJKDBSA-N	-1	0	330.384	3.031	50	0		EGAARM
Cc1nn(CCCn2c(=O)c3ccccc3[n-]c2=S)cc1Cl	ZINC000007277638	453054048	/nfs/dbraw/zinc/05/40/48/453054048.db2.gz	CTYJOLUGPPMBSK-UHFFFAOYSA-N	-1	0	334.832	3.308	50	0		EGAARM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000007402526	453071823	/nfs/dbraw/zinc/07/18/23/453071823.db2.gz	QFWVQRXCYAKBIX-UHFFFAOYSA-N	-1	0	333.743	3.428	50	0		EGAARM
Cc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c(C)cc1Cl	ZINC000008714995	453225760	/nfs/dbraw/zinc/22/57/60/453225760.db2.gz	PLIVKRZERADOLG-UHFFFAOYSA-N	-1	0	339.800	3.456	50	0		EGAARM
Cc1ccc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)cc1C	ZINC000014632483	453540329	/nfs/dbraw/zinc/54/03/29/453540329.db2.gz	AGTFPYNQDZAZRA-GJZGRUSLSA-N	-1	0	335.400	3.145	50	0		EGAARM
COc1ccc(NC(=S)Nc2cccc(C(=O)[O-])c2)cc1OC	ZINC000017068291	453627948	/nfs/dbraw/zinc/62/79/48/453627948.db2.gz	MGTZWAMLPAFSSR-UHFFFAOYSA-N	-1	0	332.381	3.211	50	0		EGAARM
COc1ccc(C(=O)[O-])cc1Cn1nc(C)c(Br)c1C	ZINC000026545280	453802944	/nfs/dbraw/zinc/80/29/44/453802944.db2.gz	JLOIIMFEVKWLOG-UHFFFAOYSA-N	-1	0	339.189	3.018	50	0		EGAARM
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nc(C(=O)[O-])co1	ZINC000040449176	453949867	/nfs/dbraw/zinc/94/98/67/453949867.db2.gz	WJWOQUSJHQZWAY-LBPRGKRZSA-N	-1	0	332.356	3.181	50	0		EGAARM
Cc1ccc2nc(N3CCC[C@H](c4cc(=O)[nH]c(C)n4)C3)sc2c1	ZINC000077455195	454107489	/nfs/dbraw/zinc/10/74/89/454107489.db2.gz	NJVDJVBUTRQBJM-ZDUSSCGKSA-N	-1	0	340.452	3.380	50	0		EGAARM
Cc1nc2ccc(NC(=O)Cc3ccccc3C(=O)[O-])cc2nc1C	ZINC000071284421	454204247	/nfs/dbraw/zinc/20/42/47/454204247.db2.gz	CGWSEZXCDOKFOY-UHFFFAOYSA-N	-1	0	335.363	3.126	50	0		EGAARM
Cn1cccc1CN(C(=O)C[C@H](CC(=O)[O-])c1cccs1)C1CC1	ZINC000096024611	454263813	/nfs/dbraw/zinc/26/38/13/454263813.db2.gz	FEBGXEVQAFHJHR-CYBMUJFWSA-N	-1	0	346.452	3.226	50	0		EGAARM
O=C([O-])c1cc(N2CCC[C@@H](Cn3ccnc3)C2)nc2ccccc21	ZINC000096166369	454296651	/nfs/dbraw/zinc/29/66/51/454296651.db2.gz	BPUIYXAHGGZAMA-AWEZNQCLSA-N	-1	0	336.395	3.046	50	0		EGAARM
C[C@@]12[C@H](C(=O)[O-])CC[C@H]1[C@H]1CC[C@H]3C[C@H](O)CC[C@]3(C)[C@@H]1C[C@H]2O	ZINC000257356683	455898173	/nfs/dbraw/zinc/89/81/73/455898173.db2.gz	JQJFMOYALOFIJZ-NZSMAFGOSA-N	-1	0	336.472	3.062	50	0		EGAARM
Cc1nc(-c2ccc([C@@H](C)N3CCOCC3)cc2)sc1C(=O)[O-]	ZINC000534652950	459343273	/nfs/dbraw/zinc/34/32/73/459343273.db2.gz	OBIFGALTWADRFR-GFCCVEGCSA-N	-1	0	332.425	3.210	50	0		EGAARM
CCCC[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-]	ZINC000227154869	534936094	/nfs/dbraw/zinc/93/60/94/534936094.db2.gz	SYWBBABANUUJRN-QGZVFWFLSA-N	-1	0	347.436	3.275	50	0		EGAARM
COc1ccc(F)cc1[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)[O-]	ZINC000221038319	547243553	/nfs/dbraw/zinc/24/35/53/547243553.db2.gz	ODOZJSJHKUMCJK-RISCZKNCSA-N	-1	0	339.363	3.012	50	0		EGAARM
COc1cc(-c2onc(N3CCC(F)CC3)c2C(=O)[O-])ccc1F	ZINC001704313802	1416439655	/nfs/dbraw/zinc/43/96/55/1416439655.db2.gz	JYBZTSCEXOTRET-UHFFFAOYSA-N	-1	0	338.310	3.126	50	0		EGAARM
O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccccc1-c1nn[n-]n1	ZINC000055228587	1423284125	/nfs/dbraw/zinc/28/41/25/1423284125.db2.gz	UOKLPIXZZHRNFZ-UHFFFAOYSA-N	-1	0	337.427	3.412	50	0		EGAARM
COc1ccc(-c2cc(=O)oc3cc(O[C@@H](C)C(=O)[O-])ccc32)cc1	ZINC000004700980	210253573	/nfs/dbraw/zinc/25/35/73/210253573.db2.gz	GRCOJEJDUKRHCS-NSHDSACASA-N	-1	0	340.331	3.321	50	0	biogenic	EGAARM
O=C([O-])[C@H]1CC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C1	ZINC000004547022	210218821	/nfs/dbraw/zinc/21/88/21/210218821.db2.gz	JPMORZKNPKIDSM-ZDUSSCGKSA-N	-1	0	345.782	3.357	50	0		EGAARM
CCOC(=O)c1n[n-]c(Nc2cccc(Cl)c2)c1C(=O)OCC	ZINC000004543173	210218446	/nfs/dbraw/zinc/21/84/46/210218446.db2.gz	WLBGQBDXPUQALV-UHFFFAOYSA-N	-1	0	337.763	3.160	50	0		EGAARM
COc1ccccc1CC1(C(=O)[O-])CCN(C(=O)OC(C)(C)C)CC1	ZINC000098213831	219088051	/nfs/dbraw/zinc/08/80/51/219088051.db2.gz	DGVINYKZILYPIF-UHFFFAOYSA-N	-1	0	349.427	3.340	50	0		EGAARM
CCCCn1c(=O)c(C(=O)NCc2ccco2)c([O-])c2ccccc21	ZINC000100512598	219101475	/nfs/dbraw/zinc/10/14/75/219101475.db2.gz	JKEDCCVFCRFVSK-UHFFFAOYSA-N	-1	0	340.379	3.030	50	0		EGAARM
CCc1ccccc1NC(=O)c1c([O-])c2sccc2n(C)c1=O	ZINC000049409478	214005618	/nfs/dbraw/zinc/00/56/18/214005618.db2.gz	XNPYPQDGNAOJEU-UHFFFAOYSA-N	-1	0	328.393	3.120	50	0		EGAARM
Cc1nc2[n-]c(C(c3ccccc3)c3ccccc3)nn2c(=O)c1C	ZINC000100650723	219103371	/nfs/dbraw/zinc/10/33/71/219103371.db2.gz	SBEWBDIVNDGYFE-UHFFFAOYSA-N	-1	0	330.391	3.215	50	0		EGAARM
O=C([O-])c1cc2c(cc1O)NC(=O)C[C@@H]2c1cc(F)cc(Cl)c1	ZINC000065459710	214917360	/nfs/dbraw/zinc/91/73/60/214917360.db2.gz	WFTKSLLZIIBUML-SNVBAGLBSA-N	-1	0	335.718	3.357	50	0		EGAARM
CC(C)(C)OC(=O)N1CCC[C@H](COc2ccc(C(=O)[O-])cc2)C1	ZINC000047218839	213837164	/nfs/dbraw/zinc/83/71/64/213837164.db2.gz	OXAINLRKRAAVQO-ZDUSSCGKSA-N	-1	0	335.400	3.411	50	0		EGAARM
O=C([O-])/C(=C\c1ccccc1)NC(=O)c1cccc(Br)c1	ZINC000004099687	210119401	/nfs/dbraw/zinc/11/94/01/210119401.db2.gz	JZCUQUWIYJOMAY-NTEUORMPSA-N	-1	0	346.180	3.305	50	0		EGAARM
CCCOc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2ccccc2)cc1	ZINC000003623491	210069402	/nfs/dbraw/zinc/06/94/02/210069402.db2.gz	AVOYRGCOYDNSKD-GOSISDBHSA-N	-1	0	341.407	3.350	50	0		EGAARM
CCc1cc2c(nc(CC)nc2N[C@@H](CCSC)C(=O)[O-])s1	ZINC000041090312	213415403	/nfs/dbraw/zinc/41/54/03/213415403.db2.gz	AFIZBCXTVRBOCY-NSHDSACASA-N	-1	0	339.486	3.434	50	0		EGAARM
O=C([O-])CCCCCNc1ncnc2ccc(Br)cc21	ZINC000001766186	209790853	/nfs/dbraw/zinc/79/08/53/209790853.db2.gz	JXJZEJFXLDKTSU-UHFFFAOYSA-N	-1	0	338.205	3.449	50	0		EGAARM
COc1ccccc1-c1csc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)n1	ZINC000072401885	216193907	/nfs/dbraw/zinc/19/39/07/216193907.db2.gz	XFSYNAPPBLFGFJ-QWHCGFSZSA-N	-1	0	346.408	3.114	50	0		EGAARM
Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(C)c(C)c4)c=3c2=O)c1	ZINC000023125918	212350595	/nfs/dbraw/zinc/35/05/95/212350595.db2.gz	JXCOJGZDNDGPNS-QZTJIDSGSA-N	-1	0	348.406	3.418	50	0		EGAARM
Cn1cc(C(=O)[O-])c(C(=O)Nc2cccc(Nc3ccccc3)c2)n1	ZINC000020615813	212156375	/nfs/dbraw/zinc/15/63/75/212156375.db2.gz	GKLFAIDMEYLFOA-UHFFFAOYSA-N	-1	0	336.351	3.114	50	0		EGAARM
C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC000020503536	212141557	/nfs/dbraw/zinc/14/15/57/212141557.db2.gz	CWVTWMOUBBUSDC-NSHDSACASA-N	-1	0	349.770	3.209	50	0		EGAARM
O=C([O-])C1(NC(=O)C[C@@H](c2ccco2)c2ccccc2)CCCC1	ZINC000252504537	243828834	/nfs/dbraw/zinc/82/88/34/243828834.db2.gz	VJXRXRGIAMVVCF-OAHLLOKOSA-N	-1	0	327.380	3.315	50	0		EGAARM
O=C([O-])Cc1ccc(NC(=O)c2cccc(Br)c2)cc1	ZINC000013439500	211557809	/nfs/dbraw/zinc/55/78/09/211557809.db2.gz	GIVCBIRYYDUQKC-UHFFFAOYSA-N	-1	0	334.169	3.329	50	0		EGAARM
Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1F	ZINC000091987050	218099010	/nfs/dbraw/zinc/09/90/10/218099010.db2.gz	IDAJYHVDCAHSFQ-JKSUJKDBSA-N	-1	0	327.355	3.075	50	0		EGAARM
COC(=O)c1sccc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C	ZINC000009002285	211029291	/nfs/dbraw/zinc/02/92/91/211029291.db2.gz	CZPCLYILAUMSJG-UHFFFAOYSA-N	-1	0	339.438	3.261	50	0		EGAARM
O=C([O-])c1nc(N2CCC(OCc3cccnc3)CC2)ccc1Cl	ZINC000096131948	218617358	/nfs/dbraw/zinc/61/73/58/218617358.db2.gz	GWOPAFKRJHFACT-UHFFFAOYSA-N	-1	0	347.802	3.014	50	0		EGAARM
CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1O	ZINC000006706788	210687920	/nfs/dbraw/zinc/68/79/20/210687920.db2.gz	QOYMFRJCQUFFIL-UHFFFAOYSA-N	-1	0	327.789	3.245	50	0		EGAARM
O=C([O-])c1ccc(N2C(=S)N=NC2c2cc(F)ccc2F)cc1	ZINC000009305487	304231021	/nfs/dbraw/zinc/23/10/21/304231021.db2.gz	PNDARGCLMMXKBX-UHFFFAOYSA-N	-1	0	333.319	3.199	50	0		EGAARM
CCCOc1cc(S(=O)(=O)[N-]c2cccnc2)ccc1Cl	ZINC000004970379	210343416	/nfs/dbraw/zinc/34/34/16/210343416.db2.gz	JFIDEEWTSNOBIS-UHFFFAOYSA-N	-1	0	326.805	3.325	50	0		EGAARM
COc1cc(Cl)c(S(=O)(=O)[N-]c2cccnc2)cc1Cl	ZINC000004970547	210343210	/nfs/dbraw/zinc/34/32/10/210343210.db2.gz	VVCDGGIWHBZAQQ-UHFFFAOYSA-N	-1	0	333.196	3.198	50	0		EGAARM
O=C([O-])c1nn(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc21	ZINC000002508385	304284668	/nfs/dbraw/zinc/28/46/68/304284668.db2.gz	KEJRCWXHFCFPFG-UHFFFAOYSA-N	-1	0	334.253	3.103	50	0		EGAARM
CCc1nc2c3ccccc3oc2c(N2CCC(C(=O)[O-])CC2)n1	ZINC000005218648	135670454	/nfs/dbraw/zinc/67/04/54/135670454.db2.gz	JEDXGECWXJDEPV-UHFFFAOYSA-N	-1	0	325.368	3.239	50	0		EGAARM
Cc1nc2ccccc2c2c1C(=O)N(c1ccc(C(=O)[O-])cc1)C2=O	ZINC000000082310	293475178	/nfs/dbraw/zinc/47/51/78/293475178.db2.gz	PYUACFIPSQQMAL-UHFFFAOYSA-N	-1	0	332.315	3.042	50	0		EGAARM
Cc1cc(C)c(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)c(C)c1	ZINC000000033715	452494022	/nfs/dbraw/zinc/49/40/22/452494022.db2.gz	CYVRVLYZVGPNOA-UHFFFAOYSA-N	-1	0	333.409	3.040	50	0		EGAARM
COC(=O)c1c(C)c(C)sc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000000141373	452519846	/nfs/dbraw/zinc/51/98/46/452519846.db2.gz	FDBUSJUBWMFNRK-UHFFFAOYSA-N	-1	0	339.438	3.261	50	0		EGAARM
Cc1nn2c(ncc(C(=O)[O-])c2N)c1-c1cccc(C(F)(F)F)c1	ZINC000000168447	452524822	/nfs/dbraw/zinc/52/48/22/452524822.db2.gz	VFCQYZIFTWAWJV-UHFFFAOYSA-N	-1	0	336.273	3.004	50	0		EGAARM
COc1ccc2nc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])sc2c1	ZINC000001002532	452640633	/nfs/dbraw/zinc/64/06/33/452640633.db2.gz	LTAPUMJJHUYFKI-GHMZBOCLSA-N	-1	0	334.397	3.134	50	0		EGAARM
COc1ccc2nc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])sc2c1	ZINC000001002533	452641045	/nfs/dbraw/zinc/64/10/45/452641045.db2.gz	LTAPUMJJHUYFKI-QWRGUYRKSA-N	-1	0	334.397	3.134	50	0		EGAARM
Cc1cc(C([O-])=CS(=O)(=O)c2ccc(Cl)cc2)cc(C)c1O	ZINC000001397540	452660630	/nfs/dbraw/zinc/66/06/30/452660630.db2.gz	MNEFUTHASXEELU-UHFFFAOYSA-N	-1	0	338.812	3.319	50	0		EGAARM
COc1cc2ncnc(Nc3ccc(C(=O)[O-])cc3)c2cc1OC	ZINC000001903672	452681479	/nfs/dbraw/zinc/68/14/79/452681479.db2.gz	KDABJXTYYAZTOQ-UHFFFAOYSA-N	-1	0	325.324	3.089	50	0		EGAARM
Cc1ccccc1Cn1cc([N-]S(=O)(=O)c2cccs2)cn1	ZINC000002781064	452722640	/nfs/dbraw/zinc/72/26/40/452722640.db2.gz	ZZEGRDOSMXMUSR-UHFFFAOYSA-N	-1	0	333.438	3.102	50	0		EGAARM
CCN(CC)C(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S	ZINC000002970457	452737977	/nfs/dbraw/zinc/73/79/77/452737977.db2.gz	MUNHHCUWKQSPMS-UHFFFAOYSA-N	-1	0	347.484	3.488	50	0		EGAARM
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000003209113	452748863	/nfs/dbraw/zinc/74/88/63/452748863.db2.gz	PNIGVEBGWOEVFD-UHFFFAOYSA-N	-1	0	339.800	3.253	50	0		EGAARM
O=C([O-])c1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1	ZINC000005331508	452860651	/nfs/dbraw/zinc/86/06/51/452860651.db2.gz	NWGDQIAMHUHDNI-UHFFFAOYSA-N	-1	0	330.815	3.360	50	0		EGAARM
Cc1oc2cc(OCC(=O)[O-])ccc2c(=O)c1Oc1ccc(F)cc1	ZINC000006796038	452990590	/nfs/dbraw/zinc/99/05/90/452990590.db2.gz	GWLASIRMHGNYLV-UHFFFAOYSA-N	-1	0	344.294	3.496	50	0		EGAARM
Cc1nc2sc3c([n-]c(=S)[nH]c3=O)c2c2c1COC(C)(C)C2	ZINC000017180919	453631116	/nfs/dbraw/zinc/63/11/16/453631116.db2.gz	ZFCZTCNBXQOYQB-UHFFFAOYSA-N	-1	0	333.438	3.355	50	0		EGAARM
O=S(=O)([N-]c1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1cccs1	ZINC000044900461	454125548	/nfs/dbraw/zinc/12/55/48/454125548.db2.gz	RGINNRPGSBHREF-CYBMUJFWSA-N	-1	0	349.437	3.277	50	0		EGAARM
Cn1c2ccccc2nc1-c1nccn1Cc1ccc(C(=O)[O-])s1	ZINC000071711885	454210547	/nfs/dbraw/zinc/21/05/47/454210547.db2.gz	WETXWHKBUUQDFM-UHFFFAOYSA-N	-1	0	338.392	3.245	50	0		EGAARM
O=C([O-])CSc1nc2ccccc2c2nc(-c3cccs3)nn21	ZINC000095469515	454218713	/nfs/dbraw/zinc/21/87/13/454218713.db2.gz	RGHUSWGIAMQURL-UHFFFAOYSA-N	-1	0	342.405	3.183	50	0		EGAARM
O=C([O-])c1cnn(-c2ncccc2Cl)c1C(F)(F)C(F)(F)F	ZINC000062151923	454369306	/nfs/dbraw/zinc/36/93/06/454369306.db2.gz	SXHFMWCGGCPNRK-UHFFFAOYSA-N	-1	0	341.623	3.273	50	0		EGAARM
CC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2ccccc2C(F)(F)F)C1	ZINC000091325702	454428031	/nfs/dbraw/zinc/42/80/31/454428031.db2.gz	HZUPVDPYGAEOKC-INIZCTEOSA-N	-1	0	343.345	3.351	50	0		EGAARM
CC(C)C[C@H](NC(=O)OC(C)(C)C(Cl)(Cl)Cl)C(=O)[O-]	ZINC000526058545	459540720	/nfs/dbraw/zinc/54/07/20/459540720.db2.gz	LMPYDSRXIGDZAB-ZETCQYMHSA-N	-1	0	334.627	3.361	50	0		EGAARM
COc1ccc(S(=O)(=O)[N-]c2cccc(C)n2)c2ccccc12	ZINC000006482583	471547675	/nfs/dbraw/zinc/54/76/75/471547675.db2.gz	NKPKZQWXQJYNKL-UHFFFAOYSA-N	-1	0	328.393	3.353	50	0		EGAARM
O=C([O-])[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]2C[C@@H]21	ZINC000725240385	563973673	/nfs/dbraw/zinc/97/36/73/563973673.db2.gz	ASRYHUYFNSHKKU-ZHALLVOQSA-N	-1	0	349.386	3.340	50	0		EGAARM
O=C([O-])CCC(=O)Nc1ccc(NC(=O)c2ccccc2)c(Cl)c1	ZINC000000447988	1291019690	/nfs/dbraw/zinc/01/96/90/1291019690.db2.gz	DOFBDJLVYFKUMN-UHFFFAOYSA-N	-1	0	346.770	3.396	50	0		EGAARM
COc1cc(-c2onc(N3CCC[C@H](C)C3)c2C(=O)[O-])ccc1F	ZINC001704315419	1416440188	/nfs/dbraw/zinc/44/01/88/1416440188.db2.gz	CTPLCRVYFDTCPO-JTQLQIEISA-N	-1	0	334.347	3.424	50	0		EGAARM
c1cn(CCCc2nnn[n-]2)c(-c2ccc(-c3ccccc3)s2)n1	ZINC000072121728	1424485481	/nfs/dbraw/zinc/48/54/81/1424485481.db2.gz	YVVSLEHGBZRECQ-UHFFFAOYSA-N	-1	0	336.424	3.425	50	0		EGAARM
O=C([O-])[C@@H]1CC[C@H](C(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)C1	ZINC000097660410	219045951	/nfs/dbraw/zinc/04/59/51/219045951.db2.gz	HESNONZNAQMXDI-LSDHHAIUSA-N	-1	0	326.396	3.160	50	0		EGAARM
Cc1ccc(C(F)(F)F)cc1-c1nc(C2CC2)nn1CC(=O)[O-]	ZINC000097744672	219053610	/nfs/dbraw/zinc/05/36/10/219053610.db2.gz	OTZSTSIEPXGNPG-UHFFFAOYSA-N	-1	0	325.290	3.234	50	0		EGAARM
CCOC(=O)N=c1[n-]nc(SCCOc2ccccc2)s1	ZINC000004695001	210250075	/nfs/dbraw/zinc/25/00/75/210250075.db2.gz	HKKXFMLASHASIN-UHFFFAOYSA-N	-1	0	325.415	3.278	50	0		EGAARM
COc1cccc(C2(CC(=O)[O-])CCN(C(=O)OC(C)(C)C)CC2)c1	ZINC000098213949	219087876	/nfs/dbraw/zinc/08/78/76/219087876.db2.gz	DQCUAMNNWOSGLF-UHFFFAOYSA-N	-1	0	349.427	3.439	50	0		EGAARM
Cc1ccc(C(=O)[O-])c(N[C@H]2SC(=O)N(c3ccccc3)C2=O)c1	ZINC000004514053	210210178	/nfs/dbraw/zinc/21/01/78/210210178.db2.gz	LSFCRUMBWWLJAD-AWEZNQCLSA-N	-1	0	342.376	3.331	50	0		EGAARM
CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccc(F)c(F)c1)C(=O)[O-]	ZINC000004241106	210149953	/nfs/dbraw/zinc/14/99/53/210149953.db2.gz	UOBIEKXTHCSFGK-QGZVFWFLSA-N	-1	0	341.354	3.362	50	0		EGAARM
COc1ccc(-c2c(C(=O)[O-])c3cc(OC(C)=O)ccc3n2C)cc1	ZINC000003466001	210047989	/nfs/dbraw/zinc/04/79/89/210047989.db2.gz	IKODKDAYBLGYNM-UHFFFAOYSA-N	-1	0	339.347	3.477	50	0		EGAARM
O=C([O-])CSc1nnc(C2CC2)n1-c1cccc2ccccc21	ZINC000067787573	215211706	/nfs/dbraw/zinc/21/17/06/215211706.db2.gz	MYMWFLCXAXFMRV-UHFFFAOYSA-N	-1	0	325.393	3.475	50	0		EGAARM
CCCC[C@@H](CCC(=O)Nc1ccn(-c2ccccc2)n1)C(=O)[O-]	ZINC000002377017	209843886	/nfs/dbraw/zinc/84/38/86/209843886.db2.gz	VNWDGQMXXIEUAP-AWEZNQCLSA-N	-1	0	329.400	3.482	50	0		EGAARM
Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000040267557	213285885	/nfs/dbraw/zinc/28/58/85/213285885.db2.gz	MHOQYVXWZAIMNQ-LBPRGKRZSA-N	-1	0	348.399	3.194	50	0		EGAARM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1F	ZINC000036400897	213098397	/nfs/dbraw/zinc/09/83/97/213098397.db2.gz	NIJSESWVGUMMLX-UHFFFAOYSA-N	-1	0	343.763	3.287	50	0		EGAARM
O=C([O-])[C@H]1CS[C@@H](c2ccc(COc3ccc(Cl)cc3)o2)N1	ZINC000036612985	213102058	/nfs/dbraw/zinc/10/20/58/213102058.db2.gz	WGEPJEMVSQMNEA-OCCSQVGLSA-N	-1	0	339.800	3.300	50	0		EGAARM
O=C([O-])[C@@H]1CS[C@@H](c2ccc(COc3ccc(Cl)cc3)o2)N1	ZINC000036612983	213101342	/nfs/dbraw/zinc/10/13/42/213101342.db2.gz	WGEPJEMVSQMNEA-JSGCOSHPSA-N	-1	0	339.800	3.300	50	0		EGAARM
Cc1c(NC(=O)C2CC2)cccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC000036567641	213100422	/nfs/dbraw/zinc/10/04/22/213100422.db2.gz	GUKQZJKMDIRQPF-UONOGXRCSA-N	-1	0	344.411	3.173	50	0		EGAARM
COc1ccccc1-c1csc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)n1	ZINC000072401886	216193969	/nfs/dbraw/zinc/19/39/69/216193969.db2.gz	XFSYNAPPBLFGFJ-CHWSQXEVSA-N	-1	0	346.408	3.114	50	0		EGAARM
COc1cc(-c2oc3ccccc3c(=O)c2O)cc(OC)c1OC	ZINC000000057874	209393006	/nfs/dbraw/zinc/39/30/06/209393006.db2.gz	MWFLTXAQDCOKEK-UHFFFAOYSA-N	-1	0	328.320	3.191	50	0		EGAARM
CCCC(=O)Nc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1	ZINC000000052655	209391756	/nfs/dbraw/zinc/39/17/56/209391756.db2.gz	YIQVNDVAIQZGFP-UHFFFAOYSA-N	-1	0	326.352	3.376	50	0		EGAARM
Cc1cc(C(=O)N2CC[C@@H](Cc3ccc(C(=O)[O-])cc3)C2)ccc1O	ZINC000072429554	216221584	/nfs/dbraw/zinc/22/15/84/216221584.db2.gz	CXDCAZBFAHTKJS-HNNXBMFYSA-N	-1	0	339.391	3.104	50	0		EGAARM
Cn1cc(-c2nc3cc(C(=O)[O-])ccc3[nH]2)c(-c2ccccc2F)n1	ZINC000072447374	216237969	/nfs/dbraw/zinc/23/79/69/216237969.db2.gz	ISKLNWWVYDEKNL-UHFFFAOYSA-N	-1	0	336.326	3.468	50	0		EGAARM
COc1cc(CN2CCC(F)(F)CC2)cc(Cl)c1OCC(=O)[O-]	ZINC000215606905	241134255	/nfs/dbraw/zinc/13/42/55/241134255.db2.gz	OKFIOHCHVPLWIN-UHFFFAOYSA-N	-1	0	349.761	3.043	50	0		EGAARM
O=C([O-])c1ccc(N2C(=S)N=NC2Cc2cc(F)cc(F)c2)cc1	ZINC000012324200	211347433	/nfs/dbraw/zinc/34/74/33/211347433.db2.gz	HMCMDRBJHHSXRC-UHFFFAOYSA-N	-1	0	347.346	3.123	50	0		EGAARM
CCn1c2ccccc2c([O-])c(-c2nc3ccccc3c(=O)[nH]2)c1=O	ZINC000008995211	211030002	/nfs/dbraw/zinc/03/00/02/211030002.db2.gz	ZOXBBYFIKXVHNE-UHFFFAOYSA-N	-1	0	333.347	3.043	50	0	biogenic	EGAARM
CCc1ccc(C(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)[nH]1	ZINC000095382821	218315097	/nfs/dbraw/zinc/31/50/97/218315097.db2.gz	VFRGWBDRGKAGEJ-HNNXBMFYSA-N	-1	0	326.396	3.295	50	0		EGAARM
O=C([O-])c1ccc([C@H]2CCCN(C(=O)CSCC3CC3)C2)cc1	ZINC000095387406	218319707	/nfs/dbraw/zinc/31/97/07/218319707.db2.gz	HEUNYUYWFUYWKP-INIZCTEOSA-N	-1	0	333.453	3.234	50	0		EGAARM
Cc1cc(C)c(NC(=O)c2ccccc2[N-]S(C)(=O)=O)c(C)c1	ZINC000005050558	210375599	/nfs/dbraw/zinc/37/55/99/210375599.db2.gz	OIFRCASIGJUXGK-UHFFFAOYSA-N	-1	0	332.425	3.236	50	0		EGAARM
O=C([O-])c1cnc2c(Br)ccc(Br)c2c1O	ZINC000042582160	304278897	/nfs/dbraw/zinc/27/88/97/304278897.db2.gz	WKYBCCFNEQGRSZ-UHFFFAOYSA-N	-1	0	346.962	3.164	50	0		EGAARM
O=C([O-])c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F	ZINC000058038147	304280251	/nfs/dbraw/zinc/28/02/51/304280251.db2.gz	HFQVASHHJCLSHD-UHFFFAOYSA-N	-1	0	326.061	3.291	50	0		EGAARM
CC(C)(C)OC(=O)N1CCC2(CCc3ccc(C(=O)[O-])cc3O2)CC1	ZINC000044137764	278384349	/nfs/dbraw/zinc/38/43/49/278384349.db2.gz	KMSFTOVQKNLKDT-UHFFFAOYSA-N	-1	0	347.411	3.480	50	0		EGAARM
COc1cccc(-n2cc(C(=O)[O-])c3c2[C@@H](C(C)C)CC(=O)N3)c1	ZINC000062001574	295280889	/nfs/dbraw/zinc/28/08/89/295280889.db2.gz	JBGCJDYLJZNEFP-CYBMUJFWSA-N	-1	0	328.368	3.266	50	0	biogenic	EGAARM
O=C([O-])[C@@H]1CS[C@H](c2ccc(OCc3ccccc3F)cc2)N1	ZINC000000088407	452504843	/nfs/dbraw/zinc/50/48/43/452504843.db2.gz	DCSDVVSNCGVNKC-JKSUJKDBSA-N	-1	0	333.384	3.193	50	0		EGAARM
Cn1cnc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)c1	ZINC000000153368	452522435	/nfs/dbraw/zinc/52/24/35/452522435.db2.gz	QRRGDOSBIRJGNX-UHFFFAOYSA-N	-1	0	329.381	3.013	50	0		EGAARM
CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000000200529	452533371	/nfs/dbraw/zinc/53/33/71/452533371.db2.gz	YGWAAKDAFIYGSI-LLVKDONJSA-N	-1	0	338.454	3.077	50	0		EGAARM
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(Cc2ccncc2)cc1	ZINC000000256526	452547699	/nfs/dbraw/zinc/54/76/99/452547699.db2.gz	BWJTWLLUAUTZNI-MSOLQXFVSA-N	-1	0	336.391	3.278	50	0		EGAARM
O=C([O-])CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1	ZINC000000376050	452574389	/nfs/dbraw/zinc/57/43/89/452574389.db2.gz	DHADCQMIKYYZNF-CQSZACIVSA-N	-1	0	346.770	3.476	50	0		EGAARM
O=C([O-])c1ccc(N[C@@H]2SC(=O)N(c3ccccc3)C2=O)cc1	ZINC000001232442	452649442	/nfs/dbraw/zinc/64/94/42/452649442.db2.gz	LMNXIHPWMNLQSD-CYBMUJFWSA-N	-1	0	328.349	3.023	50	0		EGAARM
CCOc1ccc2nc([N-]c3ncc(C(C)=O)c(C)n3)nc(C)c2c1	ZINC000001853163	452678895	/nfs/dbraw/zinc/67/88/95/452678895.db2.gz	VEPQRPNYKGCMBZ-UHFFFAOYSA-N	-1	0	337.383	3.382	50	0		EGAARM
CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])c1ccccc1Br	ZINC000002389131	452695940	/nfs/dbraw/zinc/69/59/40/452695940.db2.gz	JLEZYQLFLYPMMA-NSHDSACASA-N	-1	0	344.205	3.490	50	0		EGAARM
Cc1ccc(S(=O)(=O)[N-]c2ccn(Cc3cccc(F)c3)n2)cc1	ZINC000002792145	452723303	/nfs/dbraw/zinc/72/33/03/452723303.db2.gz	ATVADTXIEKTUGR-UHFFFAOYSA-N	-1	0	345.399	3.180	50	0		EGAARM
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000005234919	452850344	/nfs/dbraw/zinc/85/03/44/452850344.db2.gz	CGSDIPDBTOCGAM-UHFFFAOYSA-N	-1	0	325.773	3.147	50	0		EGAARM
O=C(c1ccc(F)cc1)n1c(NCc2ccccc2)n[n-]c1=S	ZINC000005999238	452915064	/nfs/dbraw/zinc/91/50/64/452915064.db2.gz	VSBHDLAMCSJSID-UHFFFAOYSA-N	-1	0	328.372	3.380	50	0		EGAARM
CCCCNC(=O)c1ccccc1[N-]S(=O)(=O)Cc1ccccc1	ZINC000006352221	452937356	/nfs/dbraw/zinc/93/73/56/452937356.db2.gz	ATKSUZLYHBMAJQ-UHFFFAOYSA-N	-1	0	346.452	3.158	50	0		EGAARM
CC(=O)Nc1cccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])c1	ZINC000006726151	452977598	/nfs/dbraw/zinc/97/75/98/452977598.db2.gz	ADYVEIWMHIRONU-CVEARBPZSA-N	-1	0	330.384	3.031	50	0		EGAARM
CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2cccc(Cl)c2)C1	ZINC000008699239	453222295	/nfs/dbraw/zinc/22/22/95/453222295.db2.gz	JWDQWZPPUIYEEZ-OLZOCXBDSA-N	-1	0	325.792	3.375	50	0		EGAARM
S=c1[n-]nc(-c2ccc3c(c2)OCO3)n1-c1ccc2c(c1)OCO2	ZINC000008743249	453230033	/nfs/dbraw/zinc/23/00/33/453230033.db2.gz	ARLDRGKIAIQBBC-UHFFFAOYSA-N	-1	0	341.348	3.054	50	0		EGAARM
CCc1cccc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)c1	ZINC000014632485	453540422	/nfs/dbraw/zinc/54/04/22/453540422.db2.gz	NAMHWOFFSGHOLJ-GJZGRUSLSA-N	-1	0	335.400	3.090	50	0		EGAARM
CCCc1cc(=O)[nH]c(SCc2nc3cc(C(=O)[O-])ccc3[nH]2)n1	ZINC000016678161	453618878	/nfs/dbraw/zinc/61/88/78/453618878.db2.gz	DXXIMUQOOOCKLN-UHFFFAOYSA-N	-1	0	344.396	3.002	50	0		EGAARM
CC(C)n1cc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cn1	ZINC000095497046	454221559	/nfs/dbraw/zinc/22/15/59/454221559.db2.gz	MBDGMTZJQWTOBY-AWEZNQCLSA-N	-1	0	335.791	3.063	50	0		EGAARM
CCCCOc1ccc(S(=O)(=O)[N-]c2cc(C)ccn2)cc1C	ZINC000095946074	454235817	/nfs/dbraw/zinc/23/58/17/454235817.db2.gz	MURSSVWMDGEFOY-UHFFFAOYSA-N	-1	0	334.441	3.100	50	0		EGAARM
Cc1ccc(C(=O)[O-])c(N(C)C[C@H]2CCN(c3ccccc3)C2)n1	ZINC000096152137	454294100	/nfs/dbraw/zinc/29/41/00/454294100.db2.gz	OUHZRKMOBUAUFP-OAHLLOKOSA-N	-1	0	325.412	3.051	50	0		EGAARM
O=C([O-])c1c(F)c(Br)c(F)c(Br)c1F	ZINC000390824596	457442457	/nfs/dbraw/zinc/44/24/57/457442457.db2.gz	ODMZNZZKRLYCPN-UHFFFAOYSA-N	-1	0	333.885	3.327	50	0		EGAARM
C[C@@H](CCC(=O)[O-])NC(=O)COC1c2ccccc2-c2ccccc21	ZINC000604220542	460393061	/nfs/dbraw/zinc/39/30/61/460393061.db2.gz	DRFQMLQLUWQXLB-ZDUSSCGKSA-N	-1	0	339.391	3.143	50	0		EGAARM
Cc1ccc(S(=O)(=O)CCSc2cccc(C(=O)[O-])c2)cc1	ZINC000000446166	1291020276	/nfs/dbraw/zinc/02/02/76/1291020276.db2.gz	OUERTFNLTGQOAB-UHFFFAOYSA-N	-1	0	336.434	3.259	50	0		EGAARM
CC(C)CNC(=O)c1cccc(NC(=O)c2cccc(C(=O)[O-])c2)c1	ZINC000952965094	1334626244	/nfs/dbraw/zinc/62/62/44/1334626244.db2.gz	QGLAVUXSQWNOCM-UHFFFAOYSA-N	-1	0	340.379	3.023	50	0		EGAARM
CCC[C@]1(C(=O)[O-])CC[N@H+](Cc2c(Cl)ccc(C)c2F)C[C@@H]1O	ZINC001704312074	1416439130	/nfs/dbraw/zinc/43/91/30/1416439130.db2.gz	YRNWXAKKMOFMOL-YOEHRIQHSA-N	-1	0	343.826	3.225	50	0		EGAARM
O=C([O-])c1c(N[C@@H]2CCCC[C@H]2O)noc1-c1ccc(Cl)cc1	ZINC001704331147	1416446086	/nfs/dbraw/zinc/44/60/86/1416446086.db2.gz	OWSQRVRKFUUDND-VXGBXAGGSA-N	-1	0	336.775	3.409	50	0		EGAARM
CCCO[C@H]1CCCN(c2noc(-c3ccccc3)c2C(=O)[O-])C1	ZINC001704336345	1416448120	/nfs/dbraw/zinc/44/81/20/1416448120.db2.gz	GKQQKYVACWYRBF-AWEZNQCLSA-N	-1	0	330.384	3.435	50	0		EGAARM
COc1cc(-c2onc(N(C)CC3CCC3)c2C(=O)[O-])ccc1F	ZINC001772706413	1441417157	/nfs/dbraw/zinc/41/71/57/1441417157.db2.gz	ZJNBTKHBHAVGOQ-UHFFFAOYSA-N	-1	0	334.347	3.424	50	0		EGAARM
COc1ccc(-c2nc3cc(C(=O)[O-])ccc3[nH]2)cc1Cn1cccn1	ZINC000055255161	214296604	/nfs/dbraw/zinc/29/66/04/214296604.db2.gz	BFRYPTSQFSYCON-UHFFFAOYSA-N	-1	0	348.362	3.182	50	0		EGAARM
CSCC1CCN(C(=O)c2cc(=O)c3cccc(F)c3[n-]2)CC1	ZINC000097797473	219057717	/nfs/dbraw/zinc/05/77/17/219057717.db2.gz	HASHGDNHNFHMOJ-UHFFFAOYSA-N	-1	0	334.416	3.295	50	0		EGAARM
CCN(CC)c1ccc2c(c1)oc(=O)c(C(=O)[O-])c2C(F)(F)F	ZINC000100034550	219088901	/nfs/dbraw/zinc/08/89/01/219088901.db2.gz	UBLYBLZKNQBUGD-UHFFFAOYSA-N	-1	0	329.274	3.356	50	0		EGAARM
CCc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1	ZINC000004483619	210199404	/nfs/dbraw/zinc/19/94/04/210199404.db2.gz	XXQKGXNBOAJTJZ-MSOLQXFVSA-N	-1	0	348.406	3.051	50	0		EGAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C)c4)c=3c2=O)cc1	ZINC000101418325	219126382	/nfs/dbraw/zinc/12/63/82/219126382.db2.gz	LQERDMJHYPOABJ-MSOLQXFVSA-N	-1	0	348.406	3.051	50	0		EGAARM
Cc1nn(CC(=O)[O-])c(C)c1NC(=O)c1cc(Cl)cc(Cl)c1	ZINC000065529532	214948238	/nfs/dbraw/zinc/94/82/38/214948238.db2.gz	FTILGRWOIBAWFL-UHFFFAOYSA-N	-1	0	342.182	3.144	50	0		EGAARM
Cc1c2ccc(OCc3cccc(F)c3)cc2oc(=O)c1CC(=O)[O-]	ZINC000004046180	210107656	/nfs/dbraw/zinc/10/76/56/210107656.db2.gz	NYZAGICBDIDBJX-UHFFFAOYSA-N	-1	0	342.322	3.447	50	0	biogenic	EGAARM
CCc1ccc(CC)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)c1	ZINC000003855852	210080244	/nfs/dbraw/zinc/08/02/44/210080244.db2.gz	RAKXVOOGGFKLMJ-UHFFFAOYSA-N	-1	0	349.408	3.016	50	0		EGAARM
O=C([O-])c1ccccc1SCCCN1C(=O)c2ccccc2C1=O	ZINC000002315318	209839843	/nfs/dbraw/zinc/83/98/43/209839843.db2.gz	IBHRKLPMMUUGDG-UHFFFAOYSA-N	-1	0	341.388	3.163	50	0		EGAARM
O=C([O-])C1CCN(C(=O)CCn2ccc3ccc(Cl)cc32)CC1	ZINC000040288609	213289755	/nfs/dbraw/zinc/28/97/55/213289755.db2.gz	SFUYARJHXHRGIN-UHFFFAOYSA-N	-1	0	334.803	3.008	50	0		EGAARM
O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)Cc2ccccc2)c1	ZINC000000568683	209667511	/nfs/dbraw/zinc/66/75/11/209667511.db2.gz	CEEJCPBWVNSQAX-UHFFFAOYSA-N	-1	0	348.811	3.094	50	0		EGAARM
O=C([O-])c1ccc(CNC(=O)CCn2ccc3ccc(F)cc32)cc1	ZINC000036365253	213091095	/nfs/dbraw/zinc/09/10/95/213091095.db2.gz	DQSWFODJDYOCGE-UHFFFAOYSA-N	-1	0	340.354	3.185	50	0		EGAARM
O=C([O-])c1ccc(CNC(=O)Cn2ccc3c2cccc3Cl)cc1	ZINC000036359283	213089741	/nfs/dbraw/zinc/08/97/41/213089741.db2.gz	OEZIYRPCHQWTCU-UHFFFAOYSA-N	-1	0	342.782	3.309	50	0		EGAARM
COc1ccc(NC(=O)C[C@H](Cc2ccc(C)cc2)C(=O)[O-])cc1	ZINC000035141826	213009634	/nfs/dbraw/zinc/00/96/34/213009634.db2.gz	SCCXFRHYRGSHKN-HNNXBMFYSA-N	-1	0	327.380	3.276	50	0		EGAARM
O=C([O-])Cc1c(Br)cc(F)c(Br)c1F	ZINC000263624120	304087573	/nfs/dbraw/zinc/08/75/73/304087573.db2.gz	NOVPQLCHWZGJAV-UHFFFAOYSA-N	-1	0	329.922	3.117	50	0		EGAARM
O=C([O-])C1(Oc2cccc(F)c2)CCN(C(=O)C[C@@H]2C=CCC2)CC1	ZINC000072411573	216204049	/nfs/dbraw/zinc/20/40/49/216204049.db2.gz	FBLMGSKIYZSVIY-CQSZACIVSA-N	-1	0	347.386	3.007	50	0		EGAARM
CC(C)(C)c1ccc(C(=O)C[C@H](NCc2ccco2)C(=O)[O-])cc1	ZINC000000044858	209388457	/nfs/dbraw/zinc/38/84/57/209388457.db2.gz	HPSVCXIMDFDJBB-INIZCTEOSA-N	-1	0	329.396	3.393	50	0		EGAARM
O=C([O-])c1cncc(-c2cc(NCc3cccnc3)nc3[nH]ccc32)c1	ZINC000072435559	216230910	/nfs/dbraw/zinc/23/09/10/216230910.db2.gz	UEWJYLIVWFSBCP-UHFFFAOYSA-N	-1	0	345.362	3.330	50	0		EGAARM
CC[C@@H](Nc1nccc(-c2cc(C(=O)[O-])ccn2)n1)c1ccncc1	ZINC000072476851	216254684	/nfs/dbraw/zinc/25/46/84/216254684.db2.gz	WOCVRIBKPXNJBX-CQSZACIVSA-N	-1	0	335.367	3.195	50	0		EGAARM
CCc1cc(C(=O)N2CC[C@H](Cc3ccc(C(=O)[O-])cc3)C2)ccn1	ZINC000072475363	216253429	/nfs/dbraw/zinc/25/34/29/216253429.db2.gz	WWOSSVRWIQHTKF-OAHLLOKOSA-N	-1	0	338.407	3.047	50	0		EGAARM
Cc1nc[nH]c1CSCCn1ccnc1-c1ccccc1C(=O)[O-]	ZINC000072479236	216258478	/nfs/dbraw/zinc/25/84/78/216258478.db2.gz	FRKUHXSBNZGNJS-UHFFFAOYSA-N	-1	0	342.424	3.213	50	0		EGAARM
O=C([O-])[C@H]1[C@@H](C(=O)Nc2ccc(Cl)c3ccccc23)[C@H]2CC[C@@H]1O2	ZINC000085389764	217661473	/nfs/dbraw/zinc/66/14/73/217661473.db2.gz	FIXUZLBYYPPGQN-FXUDXRNXSA-N	-1	0	345.782	3.310	50	0		EGAARM
O=C1[N-]C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)N1	ZINC000012375570	211358490	/nfs/dbraw/zinc/35/84/90/211358490.db2.gz	ZATPHDRUKXNVQF-ZROIWOOFSA-N	-1	0	328.755	3.099	50	0		EGAARM
O=C([O-])[C@@H]1CN(C(=O)c2ccc(F)c(F)c2)C[C@H]1c1cccc(F)c1	ZINC000091475573	218012545	/nfs/dbraw/zinc/01/25/45/218012545.db2.gz	DOMHTGOMCMTCFD-UONOGXRCSA-N	-1	0	349.308	3.044	50	0		EGAARM
CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000010684192	211185952	/nfs/dbraw/zinc/18/59/52/211185952.db2.gz	KQFVPGMKSMLNOS-RDBSUJKOSA-N	-1	0	346.427	3.044	50	0		EGAARM
Cc1n[nH]c(SC(=Cc2ccc(Br)cc2)C(=O)[O-])n1	ZINC000009349928	211071168	/nfs/dbraw/zinc/07/11/68/211071168.db2.gz	CSKOBJIXIVDCHG-POHAHGRESA-N	-1	0	340.202	3.093	50	0		EGAARM
CC(=O)Nc1ccc(O)c(C(=O)C=C([O-])c2ccc(Cl)cc2)c1	ZINC000095092834	218280029	/nfs/dbraw/zinc/28/00/29/218280029.db2.gz	KMVQGDOQQVSVCD-UHFFFAOYSA-N	-1	0	331.755	3.460	50	0		EGAARM
CN(Cc1ccccc1Cl)[C@H](C(=O)[O-])c1ccc(F)c(CO)c1	ZINC000095382118	218314747	/nfs/dbraw/zinc/31/47/47/218314747.db2.gz	XIFLFJBOAIEVRJ-INIZCTEOSA-N	-1	0	337.778	3.229	50	0		EGAARM
CCOc1cc(C(=O)[O-])ccc1OCC(=O)Nc1cccc(C)c1	ZINC000007604149	210818957	/nfs/dbraw/zinc/81/89/57/210818957.db2.gz	OWMVQRGVGSAQEG-UHFFFAOYSA-N	-1	0	329.352	3.109	50	0		EGAARM
O=C([O-])c1ccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1	ZINC000005927137	210560540	/nfs/dbraw/zinc/56/05/40/210560540.db2.gz	RHMHNJJVPLUCAQ-UHFFFAOYSA-N	-1	0	348.811	3.094	50	0		EGAARM
O=C([O-])c1coc2c(Br)cc(Br)cc2c1=O	ZINC000004975450	304281989	/nfs/dbraw/zinc/28/19/89/304281989.db2.gz	WTCDNUVXHXGJDU-UHFFFAOYSA-N	-1	0	347.946	3.016	50	0		EGAARM
COc1ccc(C[C@H](C(=O)[O-])[C@H](C)C(=O)Nc2ccccc2)cc1	ZINC000071405930	295138783	/nfs/dbraw/zinc/13/87/83/295138783.db2.gz	VYOUWCFUUPZHJQ-GUYCJALGSA-N	-1	0	327.380	3.213	50	0		EGAARM
C[C@H](C(=O)[O-])N(C)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000000057598	298207444	/nfs/dbraw/zinc/20/74/44/298207444.db2.gz	JOFHWKQIQLPZTC-GFCCVEGCSA-N	-1	0	325.364	3.340	50	0		EGAARM
Cc1c([C@@H]2c3ccccc3C(=O)N2CC(=O)[O-])c2ccccc2n1C	ZINC000004731418	301001714	/nfs/dbraw/zinc/00/17/14/301001714.db2.gz	YSYTZSDXVNGFOX-IBGZPJMESA-N	-1	0	334.375	3.117	50	0		EGAARM
Cc1cc2oc(=O)cc(C)c2cc1NC(=O)c1ccccc1C(=O)[O-]	ZINC000004851664	301464351	/nfs/dbraw/zinc/46/43/51/301464351.db2.gz	BQBAICUUTYPKAO-UHFFFAOYSA-N	-1	0	337.331	3.360	50	0		EGAARM
CCOc1ccc(-c2csc3ncn([C@H](C)C(=O)[O-])c(=O)c23)cc1	ZINC000000131640	452515699	/nfs/dbraw/zinc/51/56/99/452515699.db2.gz	FAJBZPAGJFAZIR-SNVBAGLBSA-N	-1	0	344.392	3.169	50	0		EGAARM
CC[C@H](C)OC(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000000136043	452518124	/nfs/dbraw/zinc/51/81/24/452518124.db2.gz	LPBJSBYDQADWLR-APHBMKBZSA-N	-1	0	345.395	3.247	50	0		EGAARM
Cc1sc2ncn(CC(=O)[O-])c(=O)c2c1-c1ccc(Cl)cc1	ZINC000000149249	452522658	/nfs/dbraw/zinc/52/26/58/452522658.db2.gz	RKFNKNDZAUBWHA-UHFFFAOYSA-N	-1	0	334.784	3.171	50	0		EGAARM
O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N1CCC(Cc2ccccc2)CC1	ZINC000000214444	452537727	/nfs/dbraw/zinc/53/77/27/452537727.db2.gz	ROMRGVRAGUOOTR-ZWKOTPCHSA-N	-1	0	327.424	3.135	50	0		EGAARM
CCc1ccc(S(=O)(=O)[N-]c2ccc(Br)cn2)cc1	ZINC000000243443	452545643	/nfs/dbraw/zinc/54/56/43/452545643.db2.gz	PXYOZAXZSSTFMG-UHFFFAOYSA-N	-1	0	341.230	3.207	50	0		EGAARM
Cc1[nH]c2ccccc2c1C(=O)[N-]S(=O)(=O)c1ccccc1Cl	ZINC000000336280	452565419	/nfs/dbraw/zinc/56/54/19/452565419.db2.gz	JAOOFWPQYUWTLZ-UHFFFAOYSA-N	-1	0	348.811	3.248	50	0		EGAARM
O=C([O-])CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1	ZINC000000378750	452573926	/nfs/dbraw/zinc/57/39/26/452573926.db2.gz	CQNMRKQLCWNVJS-CQSZACIVSA-N	-1	0	328.393	3.291	50	0		EGAARM
Cc1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])ccc1Br	ZINC000000402020	452579348	/nfs/dbraw/zinc/57/93/48/452579348.db2.gz	CDPVUHDUJSDMNP-VXGBXAGGSA-N	-1	0	338.201	3.363	50	0		EGAARM
Cc1cc(Br)ccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000000398711	452579691	/nfs/dbraw/zinc/57/96/91/452579691.db2.gz	GWFKHFDHMIPHDJ-RYUDHWBXSA-N	-1	0	338.201	3.363	50	0		EGAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2cccc3cccnc32)c1	ZINC000000423503	452586611	/nfs/dbraw/zinc/58/66/11/452586611.db2.gz	JCHPDQCUSCWSPY-UHFFFAOYSA-N	-1	0	344.392	3.053	50	0		EGAARM
Cc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c(Br)c1	ZINC000000441551	452592752	/nfs/dbraw/zinc/59/27/52/452592752.db2.gz	PQICXQMAYOCLRN-WDEREUQCSA-N	-1	0	338.201	3.363	50	0		EGAARM
CCOc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Cl)c1O[C@H](C)CC	ZINC000000479020	452604529	/nfs/dbraw/zinc/60/45/29/452604529.db2.gz	SCMRDWVYCRFFJY-SZJBZFAYSA-N	-1	0	338.791	3.096	50	0		EGAARM
CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000000859372	452636523	/nfs/dbraw/zinc/63/65/23/452636523.db2.gz	STEXBIQSNXOZRU-KRWDZBQOSA-N	-1	0	325.408	3.410	50	0		EGAARM
CC(C)(C)OC(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-]	ZINC000002569504	452704132	/nfs/dbraw/zinc/70/41/32/452704132.db2.gz	SMVCCWNHCHCWAZ-LLVKDONJSA-N	-1	0	333.306	3.226	50	0		EGAARM
COc1ccc2[nH]c(C)c(C[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])c2c1	ZINC000002583091	452706587	/nfs/dbraw/zinc/70/65/87/452706587.db2.gz	GLKSHZNZQVZZJQ-OAHLLOKOSA-N	-1	0	348.399	3.005	50	0		EGAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl	ZINC000003109868	452744600	/nfs/dbraw/zinc/74/46/00/452744600.db2.gz	PIHNVMQBEJPYDL-MRXNPFEDSA-N	-1	0	342.782	3.247	50	0		EGAARM
Cc1n[nH]c(SC(=Cc2ccc(OCC(C)C)cc2)C(=O)[O-])n1	ZINC000005955395	452912857	/nfs/dbraw/zinc/91/28/57/452912857.db2.gz	LAZNPHVDWWVMMN-RIYZIHGNSA-N	-1	0	333.413	3.366	50	0		EGAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1OC	ZINC000006698123	452968810	/nfs/dbraw/zinc/96/88/10/452968810.db2.gz	AATNFQAFAKGSGV-UHFFFAOYSA-N	-1	0	341.816	3.466	50	0		EGAARM
COc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC)c1	ZINC000006706878	452975559	/nfs/dbraw/zinc/97/55/59/452975559.db2.gz	ARQJYZWQLHFIOP-UHFFFAOYSA-N	-1	0	327.789	3.158	50	0		EGAARM
CCc1cc(-c2[nH]nc(C(=O)[O-])c2-c2nc(C)cs2)c(O)cc1O	ZINC000008466100	453205473	/nfs/dbraw/zinc/20/54/73/453205473.db2.gz	OCJHRSUQKVZHOT-UHFFFAOYSA-N	-1	0	345.380	3.180	50	0		EGAARM
Cc1ccccc1NC(=O)c1[n-]cnc1C(=O)Nc1ccc(F)cc1	ZINC000008559486	453214967	/nfs/dbraw/zinc/21/49/67/453214967.db2.gz	ULAHSMGLVMBGIK-UHFFFAOYSA-N	-1	0	338.342	3.362	50	0		EGAARM
CC(C)(C)OC(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1	ZINC000012957156	453430908	/nfs/dbraw/zinc/43/09/08/453430908.db2.gz	HFPMULXPVQWEJG-JTQLQIEISA-N	-1	0	330.178	3.100	50	0		EGAARM
COC(=O)c1ccccc1[N-]S(=O)(=O)Cc1cccc(Cl)c1	ZINC000016577863	453612217	/nfs/dbraw/zinc/61/22/17/453612217.db2.gz	ZRQRPPPQEYPIQC-UHFFFAOYSA-N	-1	0	339.800	3.069	50	0		EGAARM
COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)on1	ZINC000016623472	453616281	/nfs/dbraw/zinc/61/62/81/453616281.db2.gz	PONVHMXPTUEFSL-UHFFFAOYSA-N	-1	0	338.429	3.398	50	0		EGAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(-c2ccno2)cs1	ZINC000044918872	454127126	/nfs/dbraw/zinc/12/71/26/454127126.db2.gz	YMPHEXKEWHKAFN-UHFFFAOYSA-N	-1	0	336.394	3.213	50	0		EGAARM
O=C([O-])c1ccccc1CC(=O)Nc1nc(-c2ccccn2)cs1	ZINC000071285087	454204335	/nfs/dbraw/zinc/20/43/35/454204335.db2.gz	IVMLEHSALMSTGW-UHFFFAOYSA-N	-1	0	339.376	3.085	50	0		EGAARM
O=C([O-])[C@]1(CCOc2ccccc2)CCCN(c2nccs2)C1	ZINC000071748843	454212964	/nfs/dbraw/zinc/21/29/64/454212964.db2.gz	UNEQKTOYKKKASF-KRWDZBQOSA-N	-1	0	332.425	3.283	50	0		EGAARM
O=S1(=O)c2ccc(C(F)(F)F)cc2C([O-])=C1c1ccccc1	ZINC000071769465	454216663	/nfs/dbraw/zinc/21/66/63/454216663.db2.gz	WBBIFGGVCVJPCV-AWEZNQCLSA-N	-1	0	326.295	3.417	50	0		EGAARM
COc1c(C)cc([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C(=O)[O-])cc1C	ZINC000072233796	454276630	/nfs/dbraw/zinc/27/66/30/454276630.db2.gz	PMSZLTKYVYYGSP-LSDHHAIUSA-N	-1	0	349.427	3.490	50	0		EGAARM
Cc1ccc(C(=O)[O-])c(N(C)C[C@@H]2CCN(c3ccccc3)C2)n1	ZINC000096152136	454294126	/nfs/dbraw/zinc/29/41/26/454294126.db2.gz	OUHZRKMOBUAUFP-HNNXBMFYSA-N	-1	0	325.412	3.051	50	0		EGAARM
CCCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)[O-]	ZINC000140939672	454825343	/nfs/dbraw/zinc/82/53/43/454825343.db2.gz	WSVWDDCYQOYKQN-SFHVURJKSA-N	-1	0	341.407	3.178	50	0		EGAARM
Cc1nn(C)c(C(=O)[O-])c1-c1ccccc1C(=O)N(C(C)C)C(C)C	ZINC000534646006	459341954	/nfs/dbraw/zinc/34/19/54/459341954.db2.gz	SFCVZESUHPDCLV-UHFFFAOYSA-N	-1	0	343.427	3.353	50	0		EGAARM
Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCCC[C@H]1c1ccc(F)cc1	ZINC000077504623	1292468588	/nfs/dbraw/zinc/46/85/88/1292468588.db2.gz	DWBAWDUIQJTNNN-KRWDZBQOSA-N	-1	0	339.370	3.474	50	0		EGAARM
Cc1nc2ccc(C(=O)NCC3CCC(C(=O)[O-])CC3)cc2s1	ZINC000952962483	1334625790	/nfs/dbraw/zinc/62/57/90/1334625790.db2.gz	BHMHDBVMMGLFQC-UHFFFAOYSA-N	-1	0	332.425	3.226	50	0		EGAARM
O=C([O-])c1cccc(NC(=S)NC(=O)c2ccccc2Cl)c1	ZINC000004674763	210242606	/nfs/dbraw/zinc/24/26/06/210242606.db2.gz	WTNOPUSEQSKJGW-UHFFFAOYSA-N	-1	0	334.784	3.165	50	0		EGAARM
CC(C)(C)c1ccc(Cn2c3ccccc3n(CC(=O)[O-])c2=N)cc1	ZINC000004639096	210236247	/nfs/dbraw/zinc/23/62/47/210236247.db2.gz	SXHRTTXAJKTLNQ-UHFFFAOYSA-N	-1	0	337.423	3.353	50	0		EGAARM
CC(C)Oc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccs2)cc1	ZINC000004581135	210226055	/nfs/dbraw/zinc/22/60/55/210226055.db2.gz	NYMZFPDZZXTKLD-CQSZACIVSA-N	-1	0	333.409	3.481	50	0		EGAARM
COc1ccc(-c2cc3ccc(O[C@H](C)C(=O)[O-])cc3oc2=O)cc1	ZINC000004538818	210216086	/nfs/dbraw/zinc/21/60/86/210216086.db2.gz	BAYDTBZMJLIPKO-LLVKDONJSA-N	-1	0	340.331	3.321	50	0		EGAARM
CCc1c(C)nc2[n-]c(SCc3ccccc3Cl)nn2c1=O	ZINC000100133748	219092811	/nfs/dbraw/zinc/09/28/11/219092811.db2.gz	OKPXLKBRVORABL-UHFFFAOYSA-N	-1	0	334.832	3.234	50	0		EGAARM
O=C([O-])C1=Nc2ncnn2[C@@H](c2cccc(Oc3ccccc3)c2)C1	ZINC000100243184	219095309	/nfs/dbraw/zinc/09/53/09/219095309.db2.gz	RLLKTGBQZKETRD-MRXNPFEDSA-N	-1	0	334.335	3.054	50	0		EGAARM
CCCn1c(=O)c(C(=O)Nc2cccc(O)c2)c([O-])c2ccccc21	ZINC000100502078	219100272	/nfs/dbraw/zinc/10/02/72/219100272.db2.gz	PPOJTDZMBSQABN-UHFFFAOYSA-N	-1	0	338.363	3.075	50	0		EGAARM
Cc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)cc1	ZINC000101168207	219117856	/nfs/dbraw/zinc/11/78/56/219117856.db2.gz	FPFGEXMUKZDSEH-QZTJIDSGSA-N	-1	0	348.406	3.105	50	0		EGAARM
Cc1nc2[n-]c(CCc3ccccc3)nn2c(=O)c1Cc1ccccc1	ZINC000101215730	219119865	/nfs/dbraw/zinc/11/98/65/219119865.db2.gz	RJKHDBMWDFITIO-UHFFFAOYSA-N	-1	0	344.418	3.102	50	0		EGAARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl	ZINC000004206302	210145839	/nfs/dbraw/zinc/14/58/39/210145839.db2.gz	KDUPLHIWRBQFEC-AWEZNQCLSA-N	-1	0	338.190	3.419	50	0		EGAARM
O=C([O-])[C@H](Cc1ccccc1)Nc1ncnc2c3ccccc3oc21	ZINC000004061683	210110638	/nfs/dbraw/zinc/11/06/38/210110638.db2.gz	AJRLFWZZRHSNQZ-AWEZNQCLSA-N	-1	0	333.347	3.484	50	0	biogenic	EGAARM
O=c1cc([O-])c2sc(SCc3c(F)cccc3F)nc2[nH]1	ZINC000067602015	215165567	/nfs/dbraw/zinc/16/55/67/215165567.db2.gz	MUDVVRJIYANNQS-UHFFFAOYSA-N	-1	0	326.349	3.261	50	0		EGAARM
CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1	ZINC000002729561	209897470	/nfs/dbraw/zinc/89/74/70/209897470.db2.gz	FNKRETGBTXXBRB-CVEARBPZSA-N	-1	0	347.411	3.473	50	0		EGAARM
CCc1ccc2oc(-c3ccco3)c(O[C@H](C)C(=O)[O-])c(=O)c2c1	ZINC000001987843	209809740	/nfs/dbraw/zinc/80/97/40/209809740.db2.gz	BEQLYQIMYYXGJI-SNVBAGLBSA-N	-1	0	328.320	3.467	50	0		EGAARM
O=C([O-])CCCc1nc2ccccc2c2nc(-c3ccccc3)nn21	ZINC000040555397	213350586	/nfs/dbraw/zinc/35/05/86/213350586.db2.gz	ZZYPNGGIRIMHPM-UHFFFAOYSA-N	-1	0	332.363	3.352	50	0		EGAARM
C[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)[O-]	ZINC000004093900	299246656	/nfs/dbraw/zinc/24/66/56/299246656.db2.gz	POVNRMZQJADAAM-PGBBXINNSA-N	-1	0	327.424	3.357	50	0		EGAARM
CCC(=O)Nc1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1C	ZINC000036566168	213100992	/nfs/dbraw/zinc/10/09/92/213100992.db2.gz	KVPRGQQVNRKTCE-STQMWFEESA-N	-1	0	332.400	3.173	50	0		EGAARM
CCC(=O)Nc1cccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1C	ZINC000036566172	213100316	/nfs/dbraw/zinc/10/03/16/213100316.db2.gz	KVPRGQQVNRKTCE-QWHCGFSZSA-N	-1	0	332.400	3.173	50	0		EGAARM
O=C([O-])c1cn(Cc2cccc(F)c2)nc1OCc1cccc(F)c1	ZINC000035587934	213039821	/nfs/dbraw/zinc/03/98/21/213039821.db2.gz	UPEMMVJXIVDPLQ-UHFFFAOYSA-N	-1	0	344.317	3.487	50	0		EGAARM
O=C([O-])c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1	ZINC000000245307	295990398	/nfs/dbraw/zinc/99/03/98/295990398.db2.gz	YNOBZDKRXIQORN-UHFFFAOYSA-N	-1	0	336.130	3.492	50	0		EGAARM
O=C([O-])c1cccc(CC2CCN(C(=O)c3ccncc3F)CC2)c1	ZINC000072162462	216050279	/nfs/dbraw/zinc/05/02/79/216050279.db2.gz	FCJYIPBQJRVJOX-UHFFFAOYSA-N	-1	0	342.370	3.014	50	0		EGAARM
COC(=O)c1cscc1NC(=O)C[C@H](CC(=O)[O-])c1ccccc1	ZINC000000152819	209456446	/nfs/dbraw/zinc/45/64/46/209456446.db2.gz	UJOHJOGUOWCXRB-GFCCVEGCSA-N	-1	0	347.392	3.122	50	0		EGAARM
O=C([O-])C1(Oc2ccc(F)cc2)CCN(C(=O)C[C@H]2C=CCC2)CC1	ZINC000072411983	216203636	/nfs/dbraw/zinc/20/36/36/216203636.db2.gz	YXQLDNZDWXQDQG-AWEZNQCLSA-N	-1	0	347.386	3.007	50	0		EGAARM
Cc1cccc(OC2(C(=O)[O-])CCN(C(=O)c3cccs3)CC2)c1	ZINC000072435430	216229071	/nfs/dbraw/zinc/22/90/71/216229071.db2.gz	YAPCJPSHFZRXGX-UHFFFAOYSA-N	-1	0	345.420	3.195	50	0		EGAARM
CCc1cc(C(=O)N2CC[C@@H](Cc3ccc(C(=O)[O-])cc3)C2)ccn1	ZINC000072475364	216253136	/nfs/dbraw/zinc/25/31/36/216253136.db2.gz	WWOSSVRWIQHTKF-HNNXBMFYSA-N	-1	0	338.407	3.047	50	0		EGAARM
CCOC(=O)C1=C(C)NC(C)=C(C(=O)[O-])[C@@H]1c1cccc(Cl)c1	ZINC000025757612	212496853	/nfs/dbraw/zinc/49/68/53/212496853.db2.gz	NQDWZIVMDCMDJE-HNNXBMFYSA-N	-1	0	335.787	3.223	50	0		EGAARM
Cc1cccc(-c2nnc(SCC(=O)[O-])n2-c2ccccc2)c1	ZINC000000408271	541305356	/nfs/dbraw/zinc/30/53/56/541305356.db2.gz	BTXAHVDZPYZRLH-UHFFFAOYSA-N	-1	0	325.393	3.419	50	0		EGAARM
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N[C@@H](CC(F)(F)F)c1ccccc1	ZINC000229300621	242154841	/nfs/dbraw/zinc/15/48/41/242154841.db2.gz	FODSKLMUGWDHFB-MCIONIFRSA-N	-1	0	341.329	3.463	50	0		EGAARM
C[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)[O-]	ZINC000004093901	296104777	/nfs/dbraw/zinc/10/47/77/296104777.db2.gz	POVNRMZQJADAAM-JSFDKUKPSA-N	-1	0	327.424	3.357	50	0		EGAARM
O=C([O-])[C@]1(CC2CC2)CCCN(C(=O)CCC(=O)c2ccccc2)C1	ZINC000091474913	218012535	/nfs/dbraw/zinc/01/25/35/218012535.db2.gz	IMLWEZHMCFWOCI-FQEVSTJZSA-N	-1	0	343.423	3.143	50	0		EGAARM
COc1ccc2nc([N-]c3ncc4c(n3)C[C@H](C)CC4=O)nc(C)c2c1	ZINC000010157462	211152152	/nfs/dbraw/zinc/15/21/52/211152152.db2.gz	CZXXMDVNOPICAD-JTQLQIEISA-N	-1	0	349.394	3.245	50	0		EGAARM
Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)[O-]	ZINC000009614600	211109791	/nfs/dbraw/zinc/10/97/91/211109791.db2.gz	WAYCGVGIBVZAKC-LJQANCHMSA-N	-1	0	334.375	3.496	50	0		EGAARM
O=C([O-])c1ccc([C@@H]2CCCN(C(=O)CCc3ccncc3)C2)cc1	ZINC000095359399	218293008	/nfs/dbraw/zinc/29/30/08/218293008.db2.gz	MCAFWOSDINQKGK-GOSISDBHSA-N	-1	0	338.407	3.119	50	0		EGAARM
COCc1ccc(C(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)o1	ZINC000095357618	218291001	/nfs/dbraw/zinc/29/10/01/218291001.db2.gz	KXLNPSTWHCXSBM-OAHLLOKOSA-N	-1	0	343.379	3.144	50	0		EGAARM
CC(C)(C)OC(=O)N[C@@H](Cc1cccc(OC(F)(F)F)c1)C(=O)[O-]	ZINC000095749024	218447396	/nfs/dbraw/zinc/44/73/96/218447396.db2.gz	RMRFZVYLKTUKNA-NSHDSACASA-N	-1	0	349.305	3.106	50	0		EGAARM
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(Br)c1	ZINC000005671033	210512676	/nfs/dbraw/zinc/51/26/76/210512676.db2.gz	RNUCHTKNUCXXPR-NWDGAFQWSA-N	-1	0	326.190	3.279	50	0		EGAARM
CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(CC)cc1	ZINC000005262294	210429269	/nfs/dbraw/zinc/42/92/69/210429269.db2.gz	YTSPMOVNGLFPCW-UHFFFAOYSA-N	-1	0	333.409	3.227	50	0		EGAARM
O=C([O-])C[C@@H](NCc1ccco1)C(=O)Nc1ccc2ccccc2c1	ZINC000004978334	210346842	/nfs/dbraw/zinc/34/68/42/210346842.db2.gz	DHWSGDNAYWAWOV-QGZVFWFLSA-N	-1	0	338.363	3.004	50	0		EGAARM
COc1ccc(OC)c(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])c1	ZINC000004976843	210346287	/nfs/dbraw/zinc/34/62/87/210346287.db2.gz	LOYKPULWUVGEGO-UONOGXRCSA-N	-1	0	333.384	3.090	50	0		EGAARM
CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])cc1	ZINC000004818748	210286787	/nfs/dbraw/zinc/28/67/87/210286787.db2.gz	RCLVXILSHQBSON-CVEARBPZSA-N	-1	0	345.395	3.249	50	0		EGAARM
CC(C)(C)OC(=O)N1CCC2(C=C(C(=O)[O-])c3ccccc3O2)CC1	ZINC000051943400	278383145	/nfs/dbraw/zinc/38/31/45/278383145.db2.gz	SSYZMMRKSFBCAV-UHFFFAOYSA-N	-1	0	345.395	3.317	50	0		EGAARM
C[C@H]1Oc2ccc(Cl)cc2N(Cc2ccc(C(=O)[O-])cc2)C1=O	ZINC000004226852	300646635	/nfs/dbraw/zinc/64/66/35/300646635.db2.gz	GZXCRGGUBWSAQQ-SNVBAGLBSA-N	-1	0	331.755	3.352	50	0		EGAARM
Cc1cc(C)c(S(=O)(=O)N(C)c2ccsc2C(=O)[O-])c(C)c1	ZINC000067172497	301191162	/nfs/dbraw/zinc/19/11/62/301191162.db2.gz	RZJNCNFDKSGIJX-UHFFFAOYSA-N	-1	0	339.438	3.197	50	0		EGAARM
Cc1[nH]nc(NC(=O)Cc2ccccc2C(=O)[O-])c1-c1ccccc1	ZINC000071280021	302531311	/nfs/dbraw/zinc/53/13/11/302531311.db2.gz	QHQCCKNKFIGIIG-UHFFFAOYSA-N	-1	0	335.363	3.265	50	0		EGAARM
Cn1ncc(C(=O)[O-])c1C(=O)N(C1CCCCC1)C1CCCCC1	ZINC000020614552	303048253	/nfs/dbraw/zinc/04/82/53/303048253.db2.gz	NLVGHJHJOHQQQZ-UHFFFAOYSA-N	-1	0	333.432	3.226	50	0		EGAARM
O=C([O-])c1cccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1	ZINC000238204406	455258655	/nfs/dbraw/zinc/25/86/55/455258655.db2.gz	OIAYDKNZHRUXGU-UHFFFAOYSA-N	-1	0	337.375	3.120	50	0		EGAARM
CC(=O)c1ccc([N-]S(C)(=O)=O)c(Oc2ccc(F)cc2F)c1	ZINC000000003880	452491210	/nfs/dbraw/zinc/49/12/10/452491210.db2.gz	DIIYLGZNZGPXRR-UHFFFAOYSA-N	-1	0	341.335	3.331	50	0	in-vitro	EGAARM
CC(=O)Nc1ccc(NC(=O)C[C@H](CC(=O)[O-])c2ccccc2)cc1	ZINC000000152813	452523147	/nfs/dbraw/zinc/52/31/47/452523147.db2.gz	WKKMRBABBIWSPL-OAHLLOKOSA-N	-1	0	340.379	3.232	50	0		EGAARM
COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)cc1	ZINC000000253033	452547620	/nfs/dbraw/zinc/54/76/20/452547620.db2.gz	ATYQDOWOVFHSBG-UHFFFAOYSA-N	-1	0	327.789	3.158	50	0		EGAARM
Cc1c(OCC(=O)[O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc12	ZINC000000253049	452547865	/nfs/dbraw/zinc/54/78/65/452547865.db2.gz	XBWXIAFVOFIVEA-UHFFFAOYSA-N	-1	0	338.359	3.464	50	0	biogenic	EGAARM
Cc1cccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])c(Cl)c2)c1	ZINC000000311470	452560214	/nfs/dbraw/zinc/56/02/14/452560214.db2.gz	JCDVHPUTBZCKOK-UHFFFAOYSA-N	-1	0	348.811	3.473	50	0		EGAARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2OC)cc1Cl	ZINC000000571719	452625647	/nfs/dbraw/zinc/62/56/47/452625647.db2.gz	LIUQUGOVFZSDIX-UHFFFAOYSA-N	-1	0	327.789	3.158	50	0		EGAARM
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1	ZINC000001728490	452677314	/nfs/dbraw/zinc/67/73/14/452677314.db2.gz	HRZDKTQRPPZBNW-UHFFFAOYSA-N	-1	0	325.773	3.147	50	0		EGAARM
Cc1ccc(S(=O)(=O)[N-]c2ccn(Cc3cccc(C)c3)n2)cc1	ZINC000002791938	452723825	/nfs/dbraw/zinc/72/38/25/452723825.db2.gz	XNJGIZQNGILKPV-UHFFFAOYSA-N	-1	0	341.436	3.349	50	0		EGAARM
CCn1cc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cn1	ZINC000006706595	452974007	/nfs/dbraw/zinc/97/40/07/452974007.db2.gz	ZMRZROUJTYCMGB-UHFFFAOYSA-N	-1	0	327.409	3.371	50	0		EGAARM
O=c1nc(NCCc2ccccc2)[n-]nc1Cc1ccc(Cl)cc1	ZINC000008739833	453231501	/nfs/dbraw/zinc/23/15/01/453231501.db2.gz	NPFVPCHPCGQTQP-UHFFFAOYSA-N	-1	0	340.814	3.064	50	0		EGAARM
CC[C@H](C)[C@H](NC(=O)c1cccc2c1-c1ccccc1C2=O)C(=O)[O-]	ZINC000013556590	453469349	/nfs/dbraw/zinc/46/93/49/453469349.db2.gz	KNERXKYUZIDBRX-GTNSWQLSSA-N	-1	0	337.375	3.127	50	0		EGAARM
COc1ccccc1[N-]S(=O)(=O)Cc1c(F)cccc1Cl	ZINC000016577507	453611886	/nfs/dbraw/zinc/61/18/86/453611886.db2.gz	SKFDKZVMGUPEDO-UHFFFAOYSA-N	-1	0	329.780	3.430	50	0		EGAARM
COc1ccc(Cl)cc1[N-]S(=O)(=O)Cc1ccc(F)cc1	ZINC000016577838	453612193	/nfs/dbraw/zinc/61/21/93/453612193.db2.gz	BPOSZVDNGCOSJJ-UHFFFAOYSA-N	-1	0	329.780	3.430	50	0		EGAARM
O=C([O-])/C=C\C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1	ZINC000031723490	453852852	/nfs/dbraw/zinc/85/28/52/453852852.db2.gz	WJUVDLDSMBIRKE-HJWRWDBZSA-N	-1	0	329.739	3.150	50	0		EGAARM
O=S(=O)([N-]c1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1cccs1	ZINC000044900459	454125631	/nfs/dbraw/zinc/12/56/31/454125631.db2.gz	RGINNRPGSBHREF-ZDUSSCGKSA-N	-1	0	349.437	3.277	50	0		EGAARM
COc1ccc(Cn2c3cc(OC)ccc3c(C=O)c2C(=O)[O-])cc1	ZINC000045795941	454183622	/nfs/dbraw/zinc/18/36/22/454183622.db2.gz	UYTMKFGAMMCWAW-UHFFFAOYSA-N	-1	0	339.347	3.218	50	0		EGAARM
CCCc1nc2cc(C(=O)[O-])ccc2n1-c1ccc2c(c1)OCCO2	ZINC000071257105	454204280	/nfs/dbraw/zinc/20/42/80/454204280.db2.gz	NSHGSXQRWAOJPA-UHFFFAOYSA-N	-1	0	338.363	3.447	50	0		EGAARM
O=C([O-])c1ccnc(N2CCC[C@H](COc3ccc(F)cc3)C2)c1	ZINC000095504662	454224166	/nfs/dbraw/zinc/22/41/66/454224166.db2.gz	BOEGLJXFDNZLHO-ZDUSSCGKSA-N	-1	0	330.359	3.214	50	0		EGAARM
O=C([O-])[C@@H]1[C@H]2C[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000074938217	454663062	/nfs/dbraw/zinc/66/30/62/454663062.db2.gz	BTOGCFAOJIQONJ-KHDYIWLOSA-N	-1	0	349.386	3.340	50	0		EGAARM
O=C([O-])c1ccc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1	ZINC000261770845	455944590	/nfs/dbraw/zinc/94/45/90/455944590.db2.gz	ODCRFHLLTYHRLI-KRWDZBQOSA-N	-1	0	341.363	3.195	50	0		EGAARM
CC[C@@H](C)c1ccccc1OCC(=O)NCc1ccc(C(=O)[O-])o1	ZINC000262027841	455987312	/nfs/dbraw/zinc/98/73/12/455987312.db2.gz	ALIOFGLPNNKPHD-GFCCVEGCSA-N	-1	0	331.368	3.187	50	0		EGAARM
Cc1cc2oc(-c3ccc4c(c3)C[C@H](C)O4)c(CC(=O)[O-])c2c(=O)[nH]1	ZINC000604406062	460422382	/nfs/dbraw/zinc/42/23/82/460422382.db2.gz	ZTNGLASRMXNRGG-JTQLQIEISA-N	-1	0	339.347	3.459	50	0	biogenic	EGAARM
O=C([O-])CCN(Cc1cccnc1)C(=O)C[C@H]1CCc2ccccc21	ZINC000095499108	527590128	/nfs/dbraw/zinc/59/01/28/527590128.db2.gz	ZUHHVGXGEMFAKE-QGZVFWFLSA-N	-1	0	338.407	3.005	50	0		EGAARM
Cc1ccoc1CNc1nnc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)o1	ZINC000685942165	550456335	/nfs/dbraw/zinc/45/63/35/550456335.db2.gz	FNXQOQCQCFNBJP-GFCCVEGCSA-N	-1	0	348.403	3.308	50	0		EGAARM
O=c1[n-]c(CNCc2cccc(Oc3ccc(Cl)cc3)c2)n[nH]1	ZINC000952967523	1334626973	/nfs/dbraw/zinc/62/69/73/1334626973.db2.gz	IHLJTILGZOWSOQ-UHFFFAOYSA-N	-1	0	330.775	3.246	50	0		EGAARM
[O-]c1ccc(Cl)c(CN2CCC[C@H](c3nnc[nH]3)C2)c1Cl	ZINC000097679824	219046906	/nfs/dbraw/zinc/04/69/06/219046906.db2.gz	ZMJZXIVEUYPHQE-VIFPVBQESA-N	-1	0	327.215	3.197	50	0		EGAARM
O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2-c2c(O)c3ccccc3c(=O)n21	ZINC000056673038	214383950	/nfs/dbraw/zinc/38/39/50/214383950.db2.gz	FNAHVCQRCYNMPV-OAHLLOKOSA-N	-1	0	346.342	3.037	50	0		EGAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C)c4)c=3c2=O)cc1	ZINC000101418321	219126512	/nfs/dbraw/zinc/12/65/12/219126512.db2.gz	LQERDMJHYPOABJ-ROUUACIJSA-N	-1	0	348.406	3.051	50	0		EGAARM
O=C([O-])CSc1nnc(-c2ccccc2Cl)n1-c1cccnc1	ZINC000065432383	214908938	/nfs/dbraw/zinc/90/89/38/214908938.db2.gz	RMHGWHQNWOVTFY-UHFFFAOYSA-N	-1	0	346.799	3.159	50	0		EGAARM
CCOC(=O)Cc1c(C)nc2c(-c3ccc(Cl)cc3)c[n-]n2c1=O	ZINC000102268644	219193219	/nfs/dbraw/zinc/19/32/19/219193219.db2.gz	XJNJSMFDPMPPPJ-UHFFFAOYSA-N	-1	0	345.786	3.169	50	0		EGAARM
O=S(=O)([N-]c1cccc(F)c1)c1ccccc1Br	ZINC000003348279	210014468	/nfs/dbraw/zinc/01/44/68/210014468.db2.gz	NKJCKUUNHKBWAO-UHFFFAOYSA-N	-1	0	330.178	3.389	50	0		EGAARM
O=C([O-])Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1	ZINC000003296439	210000386	/nfs/dbraw/zinc/00/03/86/210000386.db2.gz	DMWBQJUULJVOPA-UHFFFAOYSA-N	-1	0	341.388	3.268	50	0		EGAARM
Cc1nc(-c2ccc(Cl)cc2Cl)sc1C(=O)NCC(=O)[O-]	ZINC000040267852	213286169	/nfs/dbraw/zinc/28/61/69/213286169.db2.gz	KUSHFNXAIBZPRZ-UHFFFAOYSA-N	-1	0	345.207	3.240	50	0		EGAARM
COc1cc(C)c(C(C)C)cc1S(=O)(=O)[N-]c1cc(C)ccn1	ZINC000036638858	213106419	/nfs/dbraw/zinc/10/64/19/213106419.db2.gz	HQNKNHUIQXZNKF-UHFFFAOYSA-N	-1	0	334.441	3.053	50	0		EGAARM
Cc1cc(C(=O)N2CC[C@H](c3ccccc3C(=O)[O-])C2)ccc1O	ZINC000072153937	216042130	/nfs/dbraw/zinc/04/21/30/216042130.db2.gz	YMXQQJZCIKPAST-AWEZNQCLSA-N	-1	0	325.364	3.029	50	0		EGAARM
O=C([O-])c1ccc(-c2cc(NCc3cccnc3)nc3[nH]ccc32)nc1	ZINC000072166978	216058181	/nfs/dbraw/zinc/05/81/81/216058181.db2.gz	TYXMWRDLLNSFOP-UHFFFAOYSA-N	-1	0	345.362	3.330	50	0		EGAARM
Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1	ZINC000000049975	209390235	/nfs/dbraw/zinc/39/02/35/209390235.db2.gz	OMCGHCMQAFZAEE-UHFFFAOYSA-N	-1	0	325.773	3.147	50	0		EGAARM
CCSc1ncc(-c2nccn2Cc2cccc(C(=O)[O-])c2)cn1	ZINC000072433867	216227928	/nfs/dbraw/zinc/22/79/28/216227928.db2.gz	RZZFTDDJEVPJFP-UHFFFAOYSA-N	-1	0	340.408	3.199	50	0		EGAARM
Cc1nc2sc([C@@H](c3ccco3)N3CCC(C)CC3)c([O-])n2n1	ZINC000023158064	212357442	/nfs/dbraw/zinc/35/74/42/212357442.db2.gz	QUTAQYDECKJJID-CYBMUJFWSA-N	-1	0	332.429	3.219	50	0		EGAARM
Cc1cc(CN(C)Cc2ccc(O[C@H](C)C(=O)[O-])c(Cl)c2)on1	ZINC000215276187	241118404	/nfs/dbraw/zinc/11/84/04/241118404.db2.gz	ONDFNWZLNRARQG-LLVKDONJSA-N	-1	0	338.791	3.120	50	0		EGAARM
Cc1oc([C@H](NC(=O)OCc2ccccc2)C(C)C)nc1C(=O)[O-]	ZINC000207146327	241060349	/nfs/dbraw/zinc/06/03/49/241060349.db2.gz	NEXGTNKMMOBTFW-CYBMUJFWSA-N	-1	0	332.356	3.305	50	0		EGAARM
CCCc1cc(=O)oc2c3c(cc(OCC(=O)[O-])c12)OC(C)(C)CC3	ZINC000006624252	284104442	/nfs/dbraw/zinc/10/44/42/284104442.db2.gz	SESLHFYVDDXKIV-UHFFFAOYSA-N	-1	0	346.379	3.313	50	0	biogenic	EGAARM
CCOC(=O)C[C@H](c1ccccc1)c1c([O-])c2ccccc2[nH]c1=O	ZINC000078496520	217063410	/nfs/dbraw/zinc/06/34/10/217063410.db2.gz	QCMPTIRRZYKJIO-OAHLLOKOSA-N	-1	0	337.375	3.319	50	0		EGAARM
CCOCCCn1c(=O)c2c([n-]c1=S)c(-c1ccccc1)cn2C	ZINC000015829074	211856637	/nfs/dbraw/zinc/85/66/37/211856637.db2.gz	ZHRFORSHSWJHBR-UHFFFAOYSA-N	-1	0	343.452	3.491	50	0		EGAARM
O=C([O-])[C@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000004530485	304171168	/nfs/dbraw/zinc/17/11/68/304171168.db2.gz	CAXCRXDCRBCENL-FQEVSTJZSA-N	-1	0	347.414	3.014	50	0		EGAARM
C[C@@H](CCc1ccccc1)NC(=O)CSc1ncccc1C(=O)[O-]	ZINC000013188452	211534910	/nfs/dbraw/zinc/53/49/10/211534910.db2.gz	RZYIERIILBFFNQ-ZDUSSCGKSA-N	-1	0	344.436	3.009	50	0		EGAARM
CCN(C(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1)c1ccccc1	ZINC000012403812	211369332	/nfs/dbraw/zinc/36/93/32/211369332.db2.gz	CZBGOZGFWULGFJ-UHFFFAOYSA-N	-1	0	340.379	3.157	50	0		EGAARM
O=S1(=O)[N-]C(SCc2cccnc2)=Nc2ccc(Cl)cc21	ZINC000009708800	211118421	/nfs/dbraw/zinc/11/84/21/211118421.db2.gz	AFIVEEXSTKHYMZ-UHFFFAOYSA-N	-1	0	339.829	3.139	50	0		EGAARM
CCOc1ccc2cc(S(=O)(=O)[N-]c3cccnc3)ccc2c1	ZINC000009061826	211038049	/nfs/dbraw/zinc/03/80/49/211038049.db2.gz	CJDIMRPKMNRLOG-UHFFFAOYSA-N	-1	0	328.393	3.434	50	0		EGAARM
O=C([O-])c1cc(=O)c2cc(Br)cc(Br)c2o1	ZINC000012428296	304220519	/nfs/dbraw/zinc/22/05/19/304220519.db2.gz	MBAHJVWHVARFAZ-UHFFFAOYSA-N	-1	0	347.946	3.016	50	0		EGAARM
Cc1ccc(NC(=O)c2ccccc2NC(=O)CCC(=O)[O-])cc1C	ZINC000005795161	210539117	/nfs/dbraw/zinc/53/91/17/210539117.db2.gz	FYCCGXVYAGIORW-UHFFFAOYSA-N	-1	0	340.379	3.359	50	0		EGAARM
CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(F)c(Cl)c1	ZINC000005050310	210375168	/nfs/dbraw/zinc/37/51/68/210375168.db2.gz	IHGHOAHTGJYJQB-UHFFFAOYSA-N	-1	0	342.779	3.103	50	0		EGAARM
O=C([O-])CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1	ZINC000004998754	210354005	/nfs/dbraw/zinc/35/40/05/210354005.db2.gz	UUYLMIJNUNRUSM-UHFFFAOYSA-N	-1	0	346.799	3.159	50	0		EGAARM
COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2)cc1	ZINC000000037021	208554100	/nfs/dbraw/zinc/55/41/00/208554100.db2.gz	CBWWJKKIMHVAMZ-OAHLLOKOSA-N	-1	0	333.771	3.294	50	0		EGAARM
CCOc1ccc(Cl)cc1CN(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000097259291	219006578	/nfs/dbraw/zinc/00/65/78/219006578.db2.gz	CSWGREOUBPLKTQ-NWDGAFQWSA-N	-1	0	339.819	3.198	50	0		EGAARM
Cc1cc(Cl)ccc1NC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000004809327	210281613	/nfs/dbraw/zinc/28/16/13/210281613.db2.gz	SIMLQSXHDYRJCX-UHFFFAOYSA-N	-1	0	338.816	3.272	50	0		EGAARM
COc1ccc(CNc2ncnc3sc(C(=O)[O-])c(C)c32)cc1	ZINC000299799629	257950065	/nfs/dbraw/zinc/95/00/65/257950065.db2.gz	UWAAHXUZFHJNKB-UHFFFAOYSA-N	-1	0	329.381	3.319	50	0		EGAARM
C[C@@H]1OC=C(C(=O)[O-])[C@H]2Cc3c4nc5ccccc5c-4ccn3C[C@H]12	ZINC000334159660	258004754	/nfs/dbraw/zinc/00/47/54/258004754.db2.gz	UFDPRYZHVYKRKM-TUKIKUTGSA-N	-1	0	334.375	3.317	50	0	biogenic	EGAARM
C[C@@H]1CCc2c(sc3[n-]c(=S)n(C[C@H]4CCCO4)c(=O)c23)C1	ZINC000006420483	296763254	/nfs/dbraw/zinc/76/32/54/296763254.db2.gz	RGQKPVWWDPDHER-NXEZZACHSA-N	-1	0	336.482	3.424	50	0		EGAARM
CN(C(=O)c1cc(=O)n(-c2ccccc2)[n-]1)[C@@H]1CCCc2ccccc21	ZINC000077321802	288917583	/nfs/dbraw/zinc/91/75/83/288917583.db2.gz	VTUZPAJGVHQFBW-LJQANCHMSA-N	-1	0	347.418	3.315	50	0		EGAARM
Cc1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])ccc1Br	ZINC000000402022	301357147	/nfs/dbraw/zinc/35/71/47/301357147.db2.gz	CDPVUHDUJSDMNP-NEPJUHHUSA-N	-1	0	338.201	3.363	50	0		EGAARM
O=C(COc1ccc2ccccc2c1)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000238937061	455260001	/nfs/dbraw/zinc/26/00/01/455260001.db2.gz	SZYLKGGNWABQEW-KOMQPUFPSA-N	-1	0	341.407	3.226	50	0		EGAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c2ncccc12	ZINC000000032967	452493561	/nfs/dbraw/zinc/49/35/61/452493561.db2.gz	VIUNNFULIKEGIA-UHFFFAOYSA-N	-1	0	344.392	3.053	50	0		EGAARM
CC[C@H](C)OC(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000000135982	452517794	/nfs/dbraw/zinc/51/77/94/452517794.db2.gz	IILHURVYVFCVLC-APHBMKBZSA-N	-1	0	345.395	3.247	50	0		EGAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2SC)c1	ZINC000000611156	452629667	/nfs/dbraw/zinc/62/96/67/452629667.db2.gz	SWLZOTOBJGNROL-UHFFFAOYSA-N	-1	0	339.438	3.227	50	0		EGAARM
Cc1cccc(N2C(=O)S[C@@H](Nc3ccc(C(=O)[O-])cc3)C2=O)c1	ZINC000001232456	452648101	/nfs/dbraw/zinc/64/81/01/452648101.db2.gz	MWSQSLAKXOSFLZ-CQSZACIVSA-N	-1	0	342.376	3.331	50	0		EGAARM
CCOC(=O)CC[P@@](=O)([O-])C(O)(c1ccccc1)c1ccccc1	ZINC000002195986	452687476	/nfs/dbraw/zinc/68/74/76/452687476.db2.gz	KWVBFAPJMUQCQN-UHFFFAOYSA-N	-1	0	348.335	3.104	50	0		EGAARM
CCOc1ccccc1OCCOCCOc1ccc(C(=O)[O-])cc1	ZINC000002984361	452738803	/nfs/dbraw/zinc/73/88/03/452738803.db2.gz	JXRWJQVAWAGPJZ-UHFFFAOYSA-N	-1	0	346.379	3.258	50	0		EGAARM
O=c1[n-]c(Nc2ccc(Cl)cc2)nnc1Cc1ccc(F)cc1	ZINC000005154508	452840840	/nfs/dbraw/zinc/84/08/40/452840840.db2.gz	YIMNHGOFLRAHTP-UHFFFAOYSA-N	-1	0	330.750	3.292	50	0		EGAARM
CC(C)C[C@H](NC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)[O-]	ZINC000005190253	452844272	/nfs/dbraw/zinc/84/42/72/452844272.db2.gz	NAMDHGHJALYPCN-KRWDZBQOSA-N	-1	0	332.444	3.150	50	0		EGAARM
S=c1[n-]nc(CN2CCSCC2)n1-c1ccccc1Cl	ZINC000005395022	452866954	/nfs/dbraw/zinc/86/69/54/452866954.db2.gz	DXOJBDCEIIUBJP-UHFFFAOYSA-N	-1	0	326.878	3.132	50	0		EGAARM
CCOC(=O)c1oc2cc([O-])ccc2c(=O)c1-c1ccc(F)cc1	ZINC000005905678	452909659	/nfs/dbraw/zinc/90/96/59/452909659.db2.gz	ZVFONBJGZQQBAG-UHFFFAOYSA-N	-1	0	328.295	3.481	50	0		EGAARM
CSc1cccc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)c1	ZINC000006268902	452929633	/nfs/dbraw/zinc/92/96/33/452929633.db2.gz	VQWVLUTWGUATEU-UHFFFAOYSA-N	-1	0	336.438	3.032	50	0		EGAARM
CCCOc1ccccc1C(=O)N[C@@H](CC(=O)[O-])c1ccccc1	ZINC000015658649	453581437	/nfs/dbraw/zinc/58/14/37/453581437.db2.gz	GVEILALAFUIJKL-INIZCTEOSA-N	-1	0	327.380	3.421	50	0		EGAARM
CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(O)c1	ZINC000032601906	453879487	/nfs/dbraw/zinc/87/94/87/453879487.db2.gz	PERWIWCAXJCQAE-UHFFFAOYSA-N	-1	0	327.789	3.245	50	0		EGAARM
COc1ccc2c(C=O)c(C(=O)[O-])n(Cc3ccccc3F)c2c1	ZINC000045795961	454183640	/nfs/dbraw/zinc/18/36/40/454183640.db2.gz	HFPWQOHSZAAFDV-UHFFFAOYSA-N	-1	0	327.311	3.348	50	0		EGAARM
Cc1ccc(N2CCC[C@](Cc3ccccc3C)(C(=O)[O-])C2)nn1	ZINC000071746686	454211694	/nfs/dbraw/zinc/21/16/94/454211694.db2.gz	FWSNMIIVAVJSHH-LJQANCHMSA-N	-1	0	325.412	3.007	50	0		EGAARM
O=C([O-])C1(CCCc2ccccc2)CCN(Cc2ncc[nH]2)CC1	ZINC000071751838	454214065	/nfs/dbraw/zinc/21/40/65/454214065.db2.gz	UCRFMPOATQZTDQ-UHFFFAOYSA-N	-1	0	327.428	3.099	50	0		EGAARM
CSc1ccccc1[N-]S(=O)(=O)Cc1noc2ccccc21	ZINC000096124218	454289810	/nfs/dbraw/zinc/28/98/10/454289810.db2.gz	KGUDDERCFZSLBX-UHFFFAOYSA-N	-1	0	334.422	3.492	50	0		EGAARM
COc1cccc(-n2cc(C(=O)[O-])c3c2[C@H](C(C)C)CC(=O)N3)c1	ZINC000062001573	454365415	/nfs/dbraw/zinc/36/54/15/454365415.db2.gz	JBGCJDYLJZNEFP-ZDUSSCGKSA-N	-1	0	328.368	3.266	50	0	biogenic	EGAARM
CCCC([O-])=C1C(=O)C[C@@H](c2ccccc2)[C@H](c2cc(C)no2)C1=O	ZINC000102942738	454527427	/nfs/dbraw/zinc/52/74/27/454527427.db2.gz	GNWCSCDSDBRSKW-GDIGMMSISA-N	-1	0	339.391	3.378	50	0		EGAARM
O=C([O-])c1ccc(OCc2ccccc2)c(NC(=O)[C@H]2CCCO2)c1	ZINC000585134310	459827800	/nfs/dbraw/zinc/82/78/00/459827800.db2.gz	MQZXQMGHGYIEDK-QGZVFWFLSA-N	-1	0	341.363	3.081	50	0		EGAARM
CC[C@H](C)[C@H](NC(=O)CCn1ccc2c1cccc2Cl)C(=O)[O-]	ZINC000071745207	1292267714	/nfs/dbraw/zinc/26/77/14/1292267714.db2.gz	NWHZQAUOXMTVHJ-ZBEGNZNMSA-N	-1	0	336.819	3.300	50	0		EGAARM
COc1cc(-c2onc(NCc3cc(C)on3)c2C(=O)[O-])ccc1F	ZINC001704312833	1416438974	/nfs/dbraw/zinc/43/89/74/1416438974.db2.gz	CDRVFGDKGYQRPM-UHFFFAOYSA-N	-1	0	347.302	3.096	50	0		EGAARM
C[C@H](C(=O)Nc1nn[n-]n1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12	ZINC000095474283	1424866007	/nfs/dbraw/zinc/86/60/07/1424866007.db2.gz	UETHLTAJHCMPNF-QMMMGPOBSA-N	-1	0	340.774	3.230	50	0		EGAARM
Cc1ccsc1CNc1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1	ZINC000065458612	214916544	/nfs/dbraw/zinc/91/65/44/214916544.db2.gz	BIFHNJDTRNMYKS-HNNXBMFYSA-N	-1	0	344.436	3.358	50	0		EGAARM
O=C(Nc1cccc(F)c1)c1c([O-])c2cccc3c2n(c1=O)CCC3	ZINC000100613740	304006592	/nfs/dbraw/zinc/00/65/92/304006592.db2.gz	REXWRCHHNRDXJE-UHFFFAOYSA-N	-1	0	338.338	3.045	50	0		EGAARM
O=C([O-])C1(Oc2ccccc2)CCN(C(=O)[C@H]2CC23CCCC3)CC1	ZINC000072447933	304034788	/nfs/dbraw/zinc/03/47/88/304034788.db2.gz	GYWBKEOHRPEYIB-MRXNPFEDSA-N	-1	0	343.423	3.092	50	0		EGAARM
CCN(c1ccccc1)c1nc(=O)[n-]c(N(CC)c2ccccc2)n1	ZINC000001422514	209745299	/nfs/dbraw/zinc/74/52/99/209745299.db2.gz	GRXGXOAWMCTZAY-UHFFFAOYSA-N	-1	0	335.411	3.481	50	0		EGAARM
Cc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c(Br)c1	ZINC000000441553	209601201	/nfs/dbraw/zinc/60/12/01/209601201.db2.gz	PQICXQMAYOCLRN-QWRGUYRKSA-N	-1	0	338.201	3.363	50	0		EGAARM
CCCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1	ZINC000000312452	209530771	/nfs/dbraw/zinc/53/07/71/209530771.db2.gz	UVYGZKFVRMQTGA-UHFFFAOYSA-N	-1	0	326.352	3.376	50	0		EGAARM
COc1ccc2oc(-c3ccc(OC)c(OC)c3)c(O)c(=O)c2c1	ZINC000000057769	209392681	/nfs/dbraw/zinc/39/26/81/209392681.db2.gz	GTTYINPAUAIFMI-UHFFFAOYSA-N	-1	0	328.320	3.191	50	0		EGAARM
C[C@@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])C12CC3CC(CC(C3)C1)C2	ZINC000004019409	296095448	/nfs/dbraw/zinc/09/54/48/296095448.db2.gz	LWNFGAHZGNWAKY-DLEVPPGRSA-N	-1	0	331.456	3.375	50	0		EGAARM
Cc1nc2ccccc2n1CCC(=O)NC1(CC(=O)[O-])CCCCC1	ZINC000244872883	243089443	/nfs/dbraw/zinc/08/94/43/243089443.db2.gz	WGDGCMANTTWCGT-UHFFFAOYSA-N	-1	0	343.427	3.029	50	0		EGAARM
Cn1ncc(C(=O)[O-])c1C(=O)Nc1ccc(Nc2ccccc2)cc1	ZINC000020616459	212156480	/nfs/dbraw/zinc/15/64/80/212156480.db2.gz	PKXLYOQZZKBZGF-UHFFFAOYSA-N	-1	0	336.351	3.114	50	0		EGAARM
O=C([O-])[C@H](c1ccccc1)N1C(=O)c2cccc3cccc(c32)C1=O	ZINC000004832196	304173927	/nfs/dbraw/zinc/17/39/27/304173927.db2.gz	UPNIYDYJAMBWJR-KRWDZBQOSA-N	-1	0	331.327	3.262	50	0		EGAARM
COc1ccc(C[C@@]2(C(=O)[O-])CCCN(C(=O)OC(C)(C)C)C2)cc1	ZINC000015020810	211790602	/nfs/dbraw/zinc/79/06/02/211790602.db2.gz	CHSWQHSEOABKRS-IBGZPJMESA-N	-1	0	349.427	3.340	50	0		EGAARM
O=C([O-])[C@H]1CCCC=C1C(=O)Nc1ccccc1N1CCCCC1	ZINC000000153059	304176209	/nfs/dbraw/zinc/17/62/09/304176209.db2.gz	TXFIHWNQICKWKX-HNNXBMFYSA-N	-1	0	328.412	3.427	50	0		EGAARM
CC[C@H](C)NC(=O)c1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1	ZINC000012403830	211369626	/nfs/dbraw/zinc/36/96/26/211369626.db2.gz	KJLJHAIVPDONBX-RCBQFDQVSA-N	-1	0	346.427	3.044	50	0		EGAARM
O=S1(=O)[N-]C(SCc2ccccc2F)=Nc2ccc(F)cc21	ZINC000012361115	211355980	/nfs/dbraw/zinc/35/59/80/211355980.db2.gz	JANAJJANQKXZCP-UHFFFAOYSA-N	-1	0	340.376	3.368	50	0		EGAARM
COc1ccc([C@@H](NC(=O)c2ccccc2)C(C)(C)C(=O)[O-])cc1	ZINC000011887875	211265174	/nfs/dbraw/zinc/26/51/74/211265174.db2.gz	NDMFNCYTXXYWRP-MRXNPFEDSA-N	-1	0	327.380	3.277	50	0		EGAARM
Cc1ccc(N[C@H]2SC(=O)N(c3ccccc3)C2=O)c(C(=O)[O-])c1	ZINC000011616064	211226899	/nfs/dbraw/zinc/22/68/99/211226899.db2.gz	VVKUAVLZMVSCQA-AWEZNQCLSA-N	-1	0	342.376	3.331	50	0		EGAARM
CCC[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)n2C)C[C@H]1C(=O)[O-]	ZINC000092097661	218118760	/nfs/dbraw/zinc/11/87/60/218118760.db2.gz	WWWZEIAFNOJMDX-HZPDHXFCSA-N	-1	0	340.423	3.265	50	0		EGAARM
Cc1ccc(CSc2nnc([N-]C(=O)c3csnn3)s2)cc1	ZINC000009250859	211058625	/nfs/dbraw/zinc/05/86/25/211058625.db2.gz	KRYCITBGOFHXMD-UHFFFAOYSA-N	-1	0	349.466	3.243	50	0		EGAARM
O=S(=O)([N-]c1nc2ccccc2s1)c1ccc(Cl)nc1	ZINC000008997060	211030348	/nfs/dbraw/zinc/03/03/48/211030348.db2.gz	VODPVBIFQABKRW-UHFFFAOYSA-N	-1	0	325.802	3.146	50	0		EGAARM
Cc1c2cc(C)cc(C)c2[nH]c1C(=O)NCC1(C(=O)[O-])CCCC1	ZINC000095503865	218417742	/nfs/dbraw/zinc/41/77/42/218417742.db2.gz	OHKWICPXBDPSBP-UHFFFAOYSA-N	-1	0	328.412	3.468	50	0		EGAARM
CCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1	ZINC000006244073	210606248	/nfs/dbraw/zinc/60/62/48/210606248.db2.gz	SVVFMSAWCJEHMC-UHFFFAOYSA-N	-1	0	338.454	3.079	50	0		EGAARM
Cc1cccc(-c2noc(C[N-]C(=O)C(Cl)(Cl)Cl)n2)c1	ZINC000004868224	210308049	/nfs/dbraw/zinc/30/80/49/210308049.db2.gz	QIABHVQBCXFMRY-UHFFFAOYSA-N	-1	0	334.590	3.031	50	0		EGAARM
Cc1cc(=O)c(C(=O)[O-])c(CC2CCCC2)n1Cc1cccnc1	ZINC000299789733	258095692	/nfs/dbraw/zinc/09/56/92/258095692.db2.gz	AFSUFKLKXSAKQO-UHFFFAOYSA-N	-1	0	326.396	3.031	50	0		EGAARM
O=C([O-])C1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CC1	ZINC000002540542	258049996	/nfs/dbraw/zinc/04/99/96/258049996.db2.gz	FLEXEGCTGAJEAR-UHFFFAOYSA-N	-1	0	337.375	3.390	50	0		EGAARM
Cc1ccccc1CNC(=O)c1c([O-])c2cccc3c2n(c1=O)[C@@H](C)C3	ZINC000170624693	226664045	/nfs/dbraw/zinc/66/40/45/226664045.db2.gz	CXUJUPHWLVDZAA-ZDUSSCGKSA-N	-1	0	348.402	3.063	50	0		EGAARM
CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)cc1	ZINC000007056149	287787661	/nfs/dbraw/zinc/78/76/61/287787661.db2.gz	BDASCUMMZYRMMD-LBPRGKRZSA-N	-1	0	332.425	3.100	50	0		EGAARM
Cc1ccc2nc(C)c(C)c(C(=O)N3CCCC[C@H]3C(=O)[O-])c2c1	ZINC000095521367	301925287	/nfs/dbraw/zinc/92/52/87/301925287.db2.gz	XJSJQZHXBHZFRP-INIZCTEOSA-N	-1	0	326.396	3.239	50	0		EGAARM
Cc1nn2c(nc(-c3ccccc3)cc2C(=O)[O-])c1Br	ZINC000020605907	453667378	/nfs/dbraw/zinc/66/73/78/453667378.db2.gz	WMUYNXKFCIETHR-UHFFFAOYSA-N	-1	0	332.157	3.165	50	0		EGAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000000101199	452506108	/nfs/dbraw/zinc/50/61/08/452506108.db2.gz	WGKJKMRKFSGQCH-UHFFFAOYSA-N	-1	0	327.789	3.158	50	0		EGAARM
Cc1sc(NC(=O)CCCC(=O)[O-])c(C(N)=O)c1-c1ccccc1	ZINC000000215154	452539812	/nfs/dbraw/zinc/53/98/12/452539812.db2.gz	BJVOSOVZVGSMPK-UHFFFAOYSA-N	-1	0	346.408	3.016	50	0		EGAARM
O=C([O-])c1ccc(O)cc1NC(=O)c1cccc(Br)c1	ZINC000000237523	452542963	/nfs/dbraw/zinc/54/29/63/452542963.db2.gz	NTEIEYGYZSCPPU-UHFFFAOYSA-N	-1	0	336.141	3.105	50	0		EGAARM
O=C([O-])/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1	ZINC000000332662	452566598	/nfs/dbraw/zinc/56/65/98/452566598.db2.gz	VHUMMOUDXPTOBW-GXDHUFHOSA-N	-1	0	346.180	3.305	50	0		EGAARM
O=C([O-])c1cccc(Nc2ncnc3c2cnn3-c2ccccc2)c1	ZINC000000378174	452574519	/nfs/dbraw/zinc/57/45/19/452574519.db2.gz	CKKKEZLMHXWCAM-UHFFFAOYSA-N	-1	0	331.335	3.257	50	0		EGAARM
O=S(=O)([N-]c1nc2c(s1)CCCC2)c1ccc2ccccc2c1	ZINC000000495378	452608149	/nfs/dbraw/zinc/60/81/49/452608149.db2.gz	BDNABQXVYLDCOY-UHFFFAOYSA-N	-1	0	344.461	3.398	50	0		EGAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(Br)s1	ZINC000002464718	452700486	/nfs/dbraw/zinc/70/04/86/452700486.db2.gz	LAQLWNURBVQLLN-UHFFFAOYSA-N	-1	0	348.243	3.320	50	0		EGAARM
O=C([O-])CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1	ZINC000002523715	452701335	/nfs/dbraw/zinc/70/13/35/452701335.db2.gz	IDFOHMGTLKLWGA-UHFFFAOYSA-N	-1	0	329.356	3.250	50	0		EGAARM
O=S(=O)([N-]c1cnn(Cc2cccc(F)c2)c1)c1ccc(F)cc1	ZINC000002804302	452726191	/nfs/dbraw/zinc/72/61/91/452726191.db2.gz	RKQJBMKYOCGTLE-UHFFFAOYSA-N	-1	0	349.362	3.010	50	0		EGAARM
CC(C)(C)OC(=O)CSC(=S)[N-]CCOc1ccccc1	ZINC000002836027	452727402	/nfs/dbraw/zinc/72/74/02/452727402.db2.gz	KTENJZMOHINVTN-UHFFFAOYSA-N	-1	0	327.471	3.015	50	0		EGAARM
CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(Cl)cn1	ZINC000003017282	452739897	/nfs/dbraw/zinc/73/98/97/452739897.db2.gz	BKAMWGZCZHKCFZ-UHFFFAOYSA-N	-1	0	326.805	3.243	50	0	aggregator	EGAARM
CCOc1ccc(Cc2nnc(Nc3cccc(C)c3)[n-]c2=O)cc1	ZINC000005154346	452840713	/nfs/dbraw/zinc/84/07/13/452840713.db2.gz	UREOLLGBTPSSME-UHFFFAOYSA-N	-1	0	336.395	3.206	50	0		EGAARM
COc1ccc(Nc2c(C(=O)[O-])c[nH+]c3ccc(C(=O)[O-])cc32)cc1	ZINC000005510786	452879902	/nfs/dbraw/zinc/87/99/02/452879902.db2.gz	KARHKSLAXZXNHY-UHFFFAOYSA-N	-1	0	338.319	3.383	50	0		EGAARM
Cc1ccc(S(=O)(=O)[N-]c2ccn(Cc3ccccc3)n2)c(C)c1	ZINC000006502357	452948466	/nfs/dbraw/zinc/94/84/66/452948466.db2.gz	NUJKNEULUZHPIT-UHFFFAOYSA-N	-1	0	341.436	3.349	50	0		EGAARM
Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)Nc1ccccn1	ZINC000006673395	452966198	/nfs/dbraw/zinc/96/61/98/452966198.db2.gz	CMOKQOUXTFMBKL-UHFFFAOYSA-N	-1	0	344.754	3.037	50	0		EGAARM
O=C([O-])Cc1csc(NC(=O)CSc2ccc(Cl)cc2)n1	ZINC000008379124	453199734	/nfs/dbraw/zinc/19/97/34/453199734.db2.gz	KRYAOPOTYZIRLF-UHFFFAOYSA-N	-1	0	342.829	3.154	50	0		EGAARM
[O-]c1c(I)cc(Cl)cc1-c1csnn1	ZINC000010231851	453282041	/nfs/dbraw/zinc/28/20/41/453282041.db2.gz	STLKJYCFWZTQIQ-UHFFFAOYSA-N	-1	0	338.557	3.169	50	0		EGAARM
O=C([O-])c1ccc(N2CCCN(Cc3cccc(F)c3)C2=O)cc1	ZINC000015414061	453572042	/nfs/dbraw/zinc/57/20/42/453572042.db2.gz	TZTCHWLSEQOKNB-UHFFFAOYSA-N	-1	0	328.343	3.356	50	0		EGAARM
Cc1cc(C)c2c(N)c(C(=O)Nc3ccccc3C(=O)[O-])sc2n1	ZINC000028615345	453823877	/nfs/dbraw/zinc/82/38/77/453823877.db2.gz	FBSFSQCRABEZNS-UHFFFAOYSA-N	-1	0	341.392	3.446	50	0		EGAARM
COc1cccc([C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C(=O)[O-])c1	ZINC000035571970	453924393	/nfs/dbraw/zinc/92/43/93/453924393.db2.gz	NTWGMYJAYZNBRS-GJZGRUSLSA-N	-1	0	335.400	3.263	50	0		EGAARM
C[C@@H](Sc1nc2cc(C(=O)[O-])ccc2[nH]1)C(=O)Nc1ccccc1	ZINC000076565755	454016150	/nfs/dbraw/zinc/01/61/50/454016150.db2.gz	OHZRQDRSNWSPQY-SNVBAGLBSA-N	-1	0	341.392	3.380	50	0		EGAARM
O=C([O-])c1ccc(CNC(=O)Cn2ccc3cc(Cl)ccc32)cc1	ZINC000071281136	454203665	/nfs/dbraw/zinc/20/36/65/454203665.db2.gz	HMFBDEZIYQDZAS-UHFFFAOYSA-N	-1	0	342.782	3.309	50	0		EGAARM
O=C([O-])[C@@H](NC(=O)Cn1ccc2cc(Cl)ccc21)c1ccccc1	ZINC000071335634	454205557	/nfs/dbraw/zinc/20/55/57/454205557.db2.gz	OGEWIIVRGSUDLB-KRWDZBQOSA-N	-1	0	342.782	3.237	50	0		EGAARM
O=C([O-])Cn1c2ccccc2nc1SCCOc1ccccc1	ZINC000169355691	454930183	/nfs/dbraw/zinc/93/01/83/454930183.db2.gz	DIFSJPMGIJWIGW-UHFFFAOYSA-N	-1	0	328.393	3.292	50	0		EGAARM
Cc1c(C(=O)[O-])sc2ncnc(NCCc3ccccc3F)c12	ZINC000299796421	456780396	/nfs/dbraw/zinc/78/03/96/456780396.db2.gz	NTURTGFSDPBHRT-UHFFFAOYSA-N	-1	0	331.372	3.492	50	0		EGAARM
O=C([O-])C1CCC(CC(=O)Nc2cnn(-c3ccccc3)c2)CC1	ZINC000585134342	459828171	/nfs/dbraw/zinc/82/81/71/459828171.db2.gz	OTCJEKLKUTVHAU-UHFFFAOYSA-N	-1	0	327.384	3.092	50	0		EGAARM
COc1cccc(-c2ccc(C(=O)NC3(C(=O)[O-])CCCC3)cc2)c1	ZINC000240825093	537064378	/nfs/dbraw/zinc/06/43/78/537064378.db2.gz	QMSCFIKNHLTCFS-UHFFFAOYSA-N	-1	0	339.391	3.489	50	0		EGAARM
C=CCn1c2ccccc2c([O-])c(C(=O)Nc2cccc(C)c2)c1=O	ZINC000006556990	1291047962	/nfs/dbraw/zinc/04/79/62/1291047962.db2.gz	QDXBUBMYZJVKGB-UHFFFAOYSA-N	-1	0	334.375	3.454	50	0		EGAARM
COc1cc(-c2onc(N3CCC(C)CC3)c2C(=O)[O-])ccc1F	ZINC001704311680	1416439217	/nfs/dbraw/zinc/43/92/17/1416439217.db2.gz	PRGRPZWDNCMIIX-UHFFFAOYSA-N	-1	0	334.347	3.424	50	0		EGAARM
Cc1ccc(COc2ccc(Cl)cc2CNc2nnn[n-]2)cc1	ZINC000004999776	1426933422	/nfs/dbraw/zinc/93/34/22/1426933422.db2.gz	NXBFUPVJBJYURH-UHFFFAOYSA-N	-1	0	329.791	3.353	50	0		EGAARM
CC[C@@H](C)Sc1nnc([N-]S(=O)(=O)Cc2ccccc2)s1	ZINC000004731641	210262694	/nfs/dbraw/zinc/26/26/94/210262694.db2.gz	GTUJSGMBKHZIQR-SNVBAGLBSA-N	-1	0	343.499	3.371	50	0		EGAARM
Cc1ccccc1[C@H]1CCCN1C(=O)c1cccc(NCC(=O)[O-])c1	ZINC000055118900	214276229	/nfs/dbraw/zinc/27/62/29/214276229.db2.gz	NGJADFQEABLOBF-GOSISDBHSA-N	-1	0	338.407	3.469	50	0		EGAARM
Cc1cccc(-c2noc(CN(C)Cc3ccccc3C(=O)[O-])n2)c1	ZINC000055392846	214317182	/nfs/dbraw/zinc/31/71/82/214317182.db2.gz	QJMZWHAKEYWODF-UHFFFAOYSA-N	-1	0	337.379	3.375	50	0		EGAARM
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000004652309	210238110	/nfs/dbraw/zinc/23/81/10/210238110.db2.gz	FVUAQZYJHCRJGO-GHMZBOCLSA-N	-1	0	328.195	3.277	50	0		EGAARM
Cc1ccc2c(N)c(C(=O)Nc3cccc(C(=O)[O-])c3)sc2n1	ZINC000004575700	210225248	/nfs/dbraw/zinc/22/52/48/210225248.db2.gz	HPMYSIZYDLWERP-UHFFFAOYSA-N	-1	0	327.365	3.137	50	0		EGAARM
COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)[O-])cc1OC	ZINC000004204725	210144656	/nfs/dbraw/zinc/14/46/56/210144656.db2.gz	YCNWUPUPMGWWAU-UHFFFAOYSA-N	-1	0	338.363	3.314	50	0		EGAARM
O=C([O-])c1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cc1	ZINC000003456811	210045666	/nfs/dbraw/zinc/04/56/66/210045666.db2.gz	NJYABYRNRVDOLB-UHFFFAOYSA-N	-1	0	341.388	3.017	50	0		EGAARM
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(Br)cc1F	ZINC000002734362	209898057	/nfs/dbraw/zinc/89/80/57/209898057.db2.gz	LGLQLMOMMALFKA-ZJUUUORDSA-N	-1	0	342.164	3.194	50	0		EGAARM
O=S(=O)([N-]c1ccc2[nH]c(C(F)(F)F)nc2c1)c1cccs1	ZINC000040287994	213288846	/nfs/dbraw/zinc/28/88/46/213288846.db2.gz	ZMRNARBYIPPZKL-UHFFFAOYSA-N	-1	0	347.343	3.444	50	0		EGAARM
Cc1ccc(-c2nc3c4ccccc4nc(CCC(=O)[O-])n3n2)cc1	ZINC000040153148	213275008	/nfs/dbraw/zinc/27/50/08/213275008.db2.gz	GHPHKIKMEDPQOQ-UHFFFAOYSA-N	-1	0	332.363	3.270	50	0		EGAARM
Cc1cc(C(=O)N2CC[C@@H](c3ccccc3C(=O)[O-])C2)ccc1O	ZINC000072153938	216042532	/nfs/dbraw/zinc/04/25/32/216042532.db2.gz	YMXQQJZCIKPAST-CQSZACIVSA-N	-1	0	325.364	3.029	50	0		EGAARM
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)cn1	ZINC000000367643	209555134	/nfs/dbraw/zinc/55/51/34/209555134.db2.gz	TXTNYUUDJCJSCP-UHFFFAOYSA-N	-1	0	333.196	3.198	50	0		EGAARM
Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1	ZINC000000051778	209390937	/nfs/dbraw/zinc/39/09/37/209390937.db2.gz	ILEGAEKNESXVDF-UHFFFAOYSA-N	-1	0	325.773	3.147	50	0		EGAARM
CCCCOc1cccc(CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1	ZINC000011951798	211274780	/nfs/dbraw/zinc/27/47/80/211274780.db2.gz	RXTWKCULUQXSLW-DLBZAZTESA-N	-1	0	333.428	3.373	50	0		EGAARM
Cc1cc(C(=O)[O-])ccc1-c1ccc(C=C2SC(=O)NC2=O)o1	ZINC000009295415	211064049	/nfs/dbraw/zinc/06/40/49/211064049.db2.gz	LRLHVLUTQMGBSV-NTUHNPAUSA-N	-1	0	329.333	3.277	50	0		EGAARM
CC(C)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1	ZINC000009230431	211055993	/nfs/dbraw/zinc/05/59/93/211055993.db2.gz	ZRYUGWZGHJPHCX-CABCVRRESA-N	-1	0	332.400	3.111	50	0		EGAARM
CCC(=O)Nc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2C)cc1	ZINC000008908550	211017561	/nfs/dbraw/zinc/01/75/61/211017561.db2.gz	HQUZDIGLCNIXCT-UHFFFAOYSA-N	-1	0	326.352	3.294	50	0		EGAARM
O=C([O-])c1cccc(C[C@H]2CCN(C(=O)Cc3cccs3)C2)c1	ZINC000095376698	218308772	/nfs/dbraw/zinc/30/87/72/218308772.db2.gz	SBOMQJXYYBVIGD-CQSZACIVSA-N	-1	0	329.421	3.080	50	0		EGAARM
CS(=O)(=O)Nc1ccc(-c2coc3cc([S-])ccc3c2=O)cc1	ZINC000096096375	218590086	/nfs/dbraw/zinc/59/00/86/218590086.db2.gz	LBTAAVQVVHBUHS-UHFFFAOYSA-N	-1	0	347.417	3.120	50	0		EGAARM
CC(=O)N(C)c1ccc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])cc1	ZINC000006728955	210692831	/nfs/dbraw/zinc/69/28/31/210692831.db2.gz	ZYHUUPIZAORDHO-IRXDYDNUSA-N	-1	0	344.411	3.055	50	0		EGAARM
O=C([O-])c1ccc2c3c(cccc13)C(=O)N(c1ccc(O)cc1)C2=O	ZINC000000323369	304254289	/nfs/dbraw/zinc/25/42/89/304254289.db2.gz	DBBWMAHBSZXHCK-UHFFFAOYSA-N	-1	0	333.299	3.044	50	0		EGAARM
CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccccc2N2CCCC2)C1	ZINC000091650039	288430500	/nfs/dbraw/zinc/43/05/00/288430500.db2.gz	WTYMSEXIDXINRQ-IBGZPJMESA-N	-1	0	330.428	3.004	50	0		EGAARM
CCc1nc2sc3c(c2c(N2CCC(C(=O)[O-])CC2)n1)CCC3	ZINC000041090214	288637939	/nfs/dbraw/zinc/63/79/39/288637939.db2.gz	QKERJHCJCABSFS-UHFFFAOYSA-N	-1	0	331.441	3.043	50	0		EGAARM
COc1ccc(CC2(C(=O)[O-])CCN(C(=O)OC(C)(C)C)CC2)cc1	ZINC000035571467	295117011	/nfs/dbraw/zinc/11/70/11/295117011.db2.gz	FOTLBMJVXZPPCP-UHFFFAOYSA-N	-1	0	349.427	3.340	50	0		EGAARM
COc1ccc(C[C@H](C(=O)[O-])[C@@H](C)C(=O)Nc2ccccc2)cc1	ZINC000071405931	295138463	/nfs/dbraw/zinc/13/84/63/295138463.db2.gz	VYOUWCFUUPZHJQ-DYVFJYSZSA-N	-1	0	327.380	3.213	50	0		EGAARM
Cc1sc2nc(SCC(=O)[O-])n(-c3ccccc3)c(=O)c2c1C	ZINC000004294388	302882076	/nfs/dbraw/zinc/88/20/76/302882076.db2.gz	NEKYZFDGTCDMIY-UHFFFAOYSA-N	-1	0	346.433	3.241	50	0		EGAARM
O=C([O-])[C@H]1CS[C@H](c2ccc(OCc3ccccc3F)cc2)N1	ZINC000000088402	452503834	/nfs/dbraw/zinc/50/38/34/452503834.db2.gz	DCSDVVSNCGVNKC-HZPDHXFCSA-N	-1	0	333.384	3.193	50	0		EGAARM
Cc1cccc(Cn2cc(/C=C3/NC(=O)[N-]C3=O)c3ccccc32)c1	ZINC000000094167	452505992	/nfs/dbraw/zinc/50/59/92/452505992.db2.gz	CAIZITLSFHLNOT-LICLKQGHSA-N	-1	0	331.375	3.178	50	0		EGAARM
CC(C)C[C@@H](C(=O)[O-])N1C(=O)c2cc(Cl)c(Cl)cc2C1=O	ZINC000000191464	452531420	/nfs/dbraw/zinc/53/14/20/452531420.db2.gz	TWODTUQFHQPSOV-NSHDSACASA-N	-1	0	330.167	3.089	50	0		EGAARM
COC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C	ZINC000000271871	452551887	/nfs/dbraw/zinc/55/18/87/452551887.db2.gz	WGQVBRVQIHZDBP-UHFFFAOYSA-N	-1	0	333.409	3.199	50	0		EGAARM
Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccccc1C	ZINC000000310706	452560702	/nfs/dbraw/zinc/56/07/02/452560702.db2.gz	BVGIBXAJROOUCK-UHFFFAOYSA-N	-1	0	328.393	3.128	50	0		EGAARM
O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cccs1	ZINC000000319403	452564500	/nfs/dbraw/zinc/56/45/00/452564500.db2.gz	PRMACEYGHWOWBZ-CQSZACIVSA-N	-1	0	328.393	3.291	50	0		EGAARM
COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)n2)c2ccccc12	ZINC000000381868	452576278	/nfs/dbraw/zinc/57/62/78/452576278.db2.gz	XQBHQFQJBRDNME-UHFFFAOYSA-N	-1	0	342.420	3.083	50	0		EGAARM
COc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)c(OC)c1	ZINC000000470594	452602962	/nfs/dbraw/zinc/60/29/62/452602962.db2.gz	GNGNJQFYNAODDY-UHFFFAOYSA-N	-1	0	333.818	3.220	50	0		EGAARM
CCC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl	ZINC000000621624	452633786	/nfs/dbraw/zinc/63/37/86/452633786.db2.gz	OWMFQXREPRYXPW-MRVPVSSYSA-N	-1	0	326.245	3.469	50	0		EGAARM
O=C([O-])CCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O	ZINC000002207612	452690701	/nfs/dbraw/zinc/69/07/01/452690701.db2.gz	SDOUFNKPBBWODY-FLIBITNWSA-N	-1	0	325.773	3.241	50	0		EGAARM
Cc1cc(OC(F)F)ccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000002784125	452724213	/nfs/dbraw/zinc/72/42/13/452724213.db2.gz	HJFMWBQZJIEVFC-NEPJUHHUSA-N	-1	0	327.327	3.426	50	0		EGAARM
CC(C)(C)c1cc(CCC(=O)[O-])cc(-n2nc3ccccc3n2)c1O	ZINC000005355202	452863913	/nfs/dbraw/zinc/86/39/13/452863913.db2.gz	OYGYNUPKLMDVHM-UHFFFAOYSA-N	-1	0	339.395	3.441	50	0		EGAARM
O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N1CCC(Cc2ccccc2)CC1	ZINC000006338637	452937176	/nfs/dbraw/zinc/93/71/76/452937176.db2.gz	XOKBMWSDZRZJOZ-ROUUACIJSA-N	-1	0	329.440	3.359	50	0		EGAARM
Cc1ccc(C(=O)N2[C@@H](c3ccccc3)SC[C@@H]2C(=O)[O-])cc1	ZINC000006663722	452964136	/nfs/dbraw/zinc/96/41/36/452964136.db2.gz	KVYGIPWXEZZRSM-NVXWUHKLSA-N	-1	0	327.405	3.336	50	0		EGAARM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(F)c1	ZINC000006706915	452975931	/nfs/dbraw/zinc/97/59/31/452975931.db2.gz	ZOWUAFBHCXWRHL-UHFFFAOYSA-N	-1	0	325.361	3.034	50	0		EGAARM
O=c1cc([O-])c2sc(Nc3cccc(C(F)(F)F)c3)nc2[nH]1	ZINC000008690303	453222585	/nfs/dbraw/zinc/22/25/85/453222585.db2.gz	JMFKJLOBBFTGOF-UHFFFAOYSA-N	-1	0	327.287	3.453	50	0	aggregator	EGAARM
CC(C)(C)c1ccc(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)cc1	ZINC000013262879	453456281	/nfs/dbraw/zinc/45/62/81/453456281.db2.gz	NFQLNZWUUMJXOS-UHFFFAOYSA-N	-1	0	339.457	3.050	50	0		EGAARM
O=C([O-])CSc1nc(Cc2ccccc2)nc2c1SCCC2	ZINC000013629025	453476843	/nfs/dbraw/zinc/47/68/43/453476843.db2.gz	ZWCJEDXDQQMTEI-UHFFFAOYSA-N	-1	0	332.450	3.282	50	0		EGAARM
CCCCOc1ccc(C(C)=O)cc1CSc1nc([O-])cc(=O)[nH]1	ZINC000015723931	453583234	/nfs/dbraw/zinc/58/32/34/453583234.db2.gz	VELRAEKRUDCGFR-UHFFFAOYSA-N	-1	0	348.424	3.149	50	0		EGAARM
Cc1nc2sc([C@H](c3ccco3)N3C[C@H](C)C[C@H](C)C3)c([O-])n2n1	ZINC000017144237	453630200	/nfs/dbraw/zinc/63/02/00/453630200.db2.gz	KNNOMGOJHQKQJB-WDMOLILDSA-N	-1	0	346.456	3.465	50	0		EGAARM
Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@@H](C)CC(=O)[O-])cc1	ZINC000019864670	453659619	/nfs/dbraw/zinc/65/96/19/453659619.db2.gz	LTAXBCNVJHAYCL-AWEZNQCLSA-N	-1	0	333.409	3.054	50	0		EGAARM
Cc1ccc([C@H](c2sc3ncnn3c2[O-])N2CCCCCC2)o1	ZINC000041637616	453974921	/nfs/dbraw/zinc/97/49/21/453974921.db2.gz	IJBSXJOPDLYMHS-CYBMUJFWSA-N	-1	0	332.429	3.363	50	0		EGAARM
Cc1cccc(NC(=O)CSc2nc3cc(C(=O)[O-])ccc3[nH]2)c1	ZINC000076565733	454016023	/nfs/dbraw/zinc/01/60/23/454016023.db2.gz	LZUCYZKWRQQUSO-UHFFFAOYSA-N	-1	0	341.392	3.300	50	0		EGAARM
CC(C)C(=O)Nc1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1	ZINC000070666396	454170097	/nfs/dbraw/zinc/17/00/97/454170097.db2.gz	IKIGEPYETUCASW-UHFFFAOYSA-N	-1	0	340.379	3.161	50	0	biogenic	EGAARM
CC(C)(C)OC(=O)N1CCC[C@H](COc2cccc(C(=O)[O-])c2)C1	ZINC000047218841	454342409	/nfs/dbraw/zinc/34/24/09/454342409.db2.gz	IPFILXYOQWWBFO-ZDUSSCGKSA-N	-1	0	335.400	3.411	50	0		EGAARM
O=C([O-])c1cc(Br)cc(OC(=O)c2ccccc2)c1O	ZINC000091297067	454423423	/nfs/dbraw/zinc/42/34/23/454423423.db2.gz	WUKYYMXTEHGABC-UHFFFAOYSA-N	-1	0	337.125	3.072	50	0		EGAARM
CCOCc1nnc(SCC(=O)[O-])n1-c1cccc2ccccc21	ZINC000065468349	454572933	/nfs/dbraw/zinc/57/29/33/454572933.db2.gz	LCIUCWOWELDYGO-UHFFFAOYSA-N	-1	0	343.408	3.134	50	0		EGAARM
C[C@@]12[C@H](C(=O)[O-])CC[C@@H]1[C@H]1CC[C@H]3C[C@@H](O)CC[C@]3(C)[C@@H]1C[C@@H]2O	ZINC000257345818	455897446	/nfs/dbraw/zinc/89/74/46/455897446.db2.gz	JQJFMOYALOFIJZ-UHHUSZFYSA-N	-1	0	336.472	3.062	50	0		EGAARM
COc1cc(Cl)cc(CN2CCC[C@H]2C(=O)[O-])c1OC(C)C	ZINC000223061663	456054226	/nfs/dbraw/zinc/05/42/26/456054226.db2.gz	FGNILOXUPUFYEG-ZDUSSCGKSA-N	-1	0	327.808	3.185	50	0		EGAARM
Cc1cccc2c(CCNC(=O)C34CCC(C(=O)[O-])(CC3)C4)c[nH]c21	ZINC000585134078	459828089	/nfs/dbraw/zinc/82/80/89/459828089.db2.gz	CXVDACZKMMUHKY-UHFFFAOYSA-N	-1	0	340.423	3.170	50	0		EGAARM
COc1ccc(F)cc1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)[O-]	ZINC000221038249	547244007	/nfs/dbraw/zinc/24/40/07/547244007.db2.gz	ODOZJSJHKUMCJK-BXUZGUMPSA-N	-1	0	339.363	3.012	50	0		EGAARM
CCC[C@@H](NC(=O)N(Cc1ccncc1)C1CCCCC1)C(=O)[O-]	ZINC000670444422	548216044	/nfs/dbraw/zinc/21/60/44/548216044.db2.gz	BFKYGUOZJPHOCQ-MRXNPFEDSA-N	-1	0	333.432	3.179	50	0		EGAARM
CN(Cc1cccc2ncccc12)C(=O)c1cccc(NCC(=O)[O-])c1	ZINC000055358177	214310968	/nfs/dbraw/zinc/31/09/68/214310968.db2.gz	UXYQAJSLLNTFQG-UHFFFAOYSA-N	-1	0	349.390	3.004	50	0		EGAARM
O=C([O-])c1ccc([C@@H]2CC(=O)Nc3c2cnn3Cc2ccccc2)cc1	ZINC000061719375	214673619	/nfs/dbraw/zinc/67/36/19/214673619.db2.gz	PLRMIUXRIBMICV-INIZCTEOSA-N	-1	0	347.374	3.104	50	0		EGAARM
CC(C)c1cc(=O)n2nc(SCc3ccc(Cl)cc3)[n-]c2n1	ZINC000100133777	219092230	/nfs/dbraw/zinc/09/22/30/219092230.db2.gz	PRBVJVMASKRLAS-UHFFFAOYSA-N	-1	0	334.832	3.487	50	0		EGAARM
Cc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)cc1	ZINC000004483769	210199853	/nfs/dbraw/zinc/19/98/53/210199853.db2.gz	FPFGEXMUKZDSEH-MSOLQXFVSA-N	-1	0	348.406	3.105	50	0		EGAARM
O=C([O-])c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1	ZINC000003884711	210084202	/nfs/dbraw/zinc/08/42/02/210084202.db2.gz	FAZWJWDFXYVIJW-UHFFFAOYSA-N	-1	0	346.191	3.492	50	0		EGAARM
Cc1cccc(-n2c(SCC(=O)[O-])nnc2[C@@H](C)OC(C)C)c1	ZINC000067643248	215171856	/nfs/dbraw/zinc/17/18/56/215171856.db2.gz	RWSWXXLEVOAXOT-GFCCVEGCSA-N	-1	0	335.429	3.238	50	0		EGAARM
O=C([O-])CCCCC(=O)c1ccc(I)cc1	ZINC000002579890	209869825	/nfs/dbraw/zinc/86/98/25/209869825.db2.gz	XQGYDLUMTFGDSY-UHFFFAOYSA-N	-1	0	332.137	3.119	50	0		EGAARM
O=C([O-])[C@@H](CSCc1ccccc1)NC(=O)OCc1ccccc1	ZINC000001689800	209782166	/nfs/dbraw/zinc/78/21/66/209782166.db2.gz	ATPNWHGYKFXQNF-MRXNPFEDSA-N	-1	0	345.420	3.299	50	0		EGAARM
Cc1ccc(S[C@@H]2C=CC(=O)N(c3ccc(C(=O)[O-])cc3)N2)cc1	ZINC000032918629	212871906	/nfs/dbraw/zinc/87/19/06/212871906.db2.gz	CTJJNFWNBALLNF-MRXNPFEDSA-N	-1	0	340.404	3.219	50	0		EGAARM
O=C([O-])Cc1c(Br)cc(F)c(F)c1Br	ZINC000263625069	304087599	/nfs/dbraw/zinc/08/75/99/304087599.db2.gz	WLPGHSWYZWKDRK-UHFFFAOYSA-N	-1	0	329.922	3.117	50	0		EGAARM
O=C([O-])CSc1nnc(Cc2ccccc2)n1Cc1ccccc1	ZINC000000408279	209572410	/nfs/dbraw/zinc/57/24/10/209572410.db2.gz	OBJZMXWOWNKCCO-UHFFFAOYSA-N	-1	0	339.420	3.094	50	0		EGAARM
Cc1ccc(S(=O)(=O)[N-]C(=O)N[C@H]2CCCc3ccccc32)cc1	ZINC000000152234	209454443	/nfs/dbraw/zinc/45/44/43/209454443.db2.gz	HAIWZUBMWIKDPJ-KRWDZBQOSA-N	-1	0	344.436	3.061	50	0		EGAARM
CC[C@H](C)NC(=O)c1cccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1	ZINC000244707890	243064798	/nfs/dbraw/zinc/06/47/98/243064798.db2.gz	KJLJHAIVPDONBX-VBNZEHGJSA-N	-1	0	346.427	3.044	50	0		EGAARM
O=C([O-])C1CCN(C(=O)c2ccccc2COc2ccccc2)CC1	ZINC000013167406	211533022	/nfs/dbraw/zinc/53/30/22/211533022.db2.gz	VLFQNBKPRRNNDV-UHFFFAOYSA-N	-1	0	339.391	3.202	50	0		EGAARM
CCCCOc1ccc(CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1	ZINC000011861717	211259556	/nfs/dbraw/zinc/25/95/56/211259556.db2.gz	OBDXULWYWQKUOZ-DLBZAZTESA-N	-1	0	333.428	3.373	50	0		EGAARM
Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(F)c(F)c2)C[C@H]1C(=O)[O-]	ZINC000091755335	218058906	/nfs/dbraw/zinc/05/89/06/218058906.db2.gz	DCFUKMAIVTVARR-LSDHHAIUSA-N	-1	0	345.345	3.214	50	0		EGAARM
CN(C)c1ncc(-c2c(-c3ccccc3)ncn2CCC(=O)[O-])s1	ZINC000091952022	218094574	/nfs/dbraw/zinc/09/45/74/218094574.db2.gz	VOLSAMMTPNLBOP-UHFFFAOYSA-N	-1	0	342.424	3.214	50	0		EGAARM
Cc1cccc(CSc2nnc([N-]C(=O)c3csnn3)s2)c1	ZINC000009250858	211058463	/nfs/dbraw/zinc/05/84/63/211058463.db2.gz	GWFANDXTOSRGMU-UHFFFAOYSA-N	-1	0	349.466	3.243	50	0		EGAARM
CCC[C@@H](C)c1nnc([N-]S(=O)(=O)Cc2ccccc2)s1	ZINC000009096307	211040490	/nfs/dbraw/zinc/04/04/90/211040490.db2.gz	DLUFVRMQEYQDKW-LLVKDONJSA-N	-1	0	325.459	3.384	50	0		EGAARM
Cc1nc(CC(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)cs1	ZINC000095374610	218307497	/nfs/dbraw/zinc/30/74/97/218307497.db2.gz	JKXOVGDBERVPGB-HNNXBMFYSA-N	-1	0	344.436	3.098	50	0		EGAARM
Cc1ncsc1C(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1	ZINC000095380374	218312189	/nfs/dbraw/zinc/31/21/89/218312189.db2.gz	MQPJFMXMFMTHBJ-AWEZNQCLSA-N	-1	0	330.409	3.170	50	0		EGAARM
O=C([O-])c1ccc([C@H]2CCCN(C(=O)NCc3ccco3)C2)cc1	ZINC000095381200	218313577	/nfs/dbraw/zinc/31/35/77/218313577.db2.gz	LNATTYVJYHBZHA-HNNXBMFYSA-N	-1	0	328.368	3.067	50	0		EGAARM
Cc1[nH]c2c(cccc2F)c1CC(=O)NCc1ccc(C(=O)[O-])s1	ZINC000095528971	218431718	/nfs/dbraw/zinc/43/17/18/218431718.db2.gz	ZTCUQAKKFCGXCR-UHFFFAOYSA-N	-1	0	346.383	3.234	50	0		EGAARM
O=C([O-])c1cn(-c2ccccc2F)c2c1NC(=O)C[C@H]2C(F)(F)F	ZINC000078546646	304274100	/nfs/dbraw/zinc/27/41/00/304274100.db2.gz	XWEIONRRFGAIBB-MRVPVSSYSA-N	-1	0	342.248	3.303	50	0		EGAARM
COc1cc2[n-]c(=S)n(CCc3ccccc3)c(=O)c2cc1OC	ZINC000000425216	295028510	/nfs/dbraw/zinc/02/85/10/295028510.db2.gz	RHIHUSRDKUPJHL-UHFFFAOYSA-N	-1	0	342.420	3.319	50	0		EGAARM
COc1ccc(C[C@]2(C(=O)[O-])CCCN(C(=O)OC(C)(C)C)C2)cc1	ZINC000002513079	295141463	/nfs/dbraw/zinc/14/14/63/295141463.db2.gz	CHSWQHSEOABKRS-LJQANCHMSA-N	-1	0	349.427	3.340	50	0		EGAARM
Cc1c([C@H]2c3ccccc3C(=O)N2CC(=O)[O-])c2ccccc2n1C	ZINC000004731419	301012396	/nfs/dbraw/zinc/01/23/96/301012396.db2.gz	YSYTZSDXVNGFOX-LJQANCHMSA-N	-1	0	334.375	3.117	50	0		EGAARM
Cc1ccccc1NC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3	ZINC000100298328	302105990	/nfs/dbraw/zinc/10/59/90/302105990.db2.gz	XIHJBWCLSAXVFT-UHFFFAOYSA-N	-1	0	334.375	3.214	50	0		EGAARM
O=c1c2c3c(sc2[n-]c(=S)n1Cc1ccncc1)CCCC3	ZINC000002522248	304815947	/nfs/dbraw/zinc/81/59/47/304815947.db2.gz	MPQUAJSELKMCSK-UHFFFAOYSA-N	-1	0	329.450	3.069	50	0		EGAARM
Cc1ccc(S(=O)(=O)[N-]C(=O)Oc2cccc3cccnc32)cc1	ZINC000000114783	452510162	/nfs/dbraw/zinc/51/01/62/452510162.db2.gz	UIXSQQKYZVQBMT-UHFFFAOYSA-N	-1	0	342.376	3.021	50	0		EGAARM
O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1nnc(-c2cccs2)s1	ZINC000000205187	452534457	/nfs/dbraw/zinc/53/44/57/452534457.db2.gz	HDGGCXFEJDMDNK-IUCAKERBSA-N	-1	0	337.426	3.096	50	0		EGAARM
O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl	ZINC000000296058	452556728	/nfs/dbraw/zinc/55/67/28/452556728.db2.gz	YRPRMTCMCSOUFS-UHFFFAOYSA-N	-1	0	346.191	3.492	50	0		EGAARM
Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(Cl)cc1	ZINC000000309890	452560971	/nfs/dbraw/zinc/56/09/71/452560971.db2.gz	OCZPIPVMJMMIIM-UHFFFAOYSA-N	-1	0	348.811	3.473	50	0		EGAARM
O=c1c2cc(Cl)ccc2[n-]c(=S)n1Cc1ccc2c(c1)OCO2	ZINC000000425324	452587290	/nfs/dbraw/zinc/58/72/90/452587290.db2.gz	YBPVWSVNIXCYJX-UHFFFAOYSA-N	-1	0	346.795	3.489	50	0		EGAARM
Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c(Br)c1	ZINC000000441552	452592325	/nfs/dbraw/zinc/59/23/25/452592325.db2.gz	PQICXQMAYOCLRN-GHMZBOCLSA-N	-1	0	338.201	3.363	50	0		EGAARM
O=C1C[C@H](N(O)c2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1	ZINC000000538693	452617612	/nfs/dbraw/zinc/61/76/12/452617612.db2.gz	WQTHMRQRVADURE-AWEZNQCLSA-N	-1	0	334.734	3.007	50	0		EGAARM
CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1	ZINC000000620280	452633110	/nfs/dbraw/zinc/63/31/10/452633110.db2.gz	HZZWKENBLLISKU-UHFFFAOYSA-N	-1	0	337.372	3.112	50	0		EGAARM
O=C([O-])[C@H](CSCc1ccccc1)NC(=O)OCc1ccccc1	ZINC000001640326	452672286	/nfs/dbraw/zinc/67/22/86/452672286.db2.gz	ATPNWHGYKFXQNF-INIZCTEOSA-N	-1	0	345.420	3.299	50	0		EGAARM
Cc1oc2ccc(NS(=O)(=O)c3ccccc3)cc2c1C(=O)[O-]	ZINC000001744438	452676863	/nfs/dbraw/zinc/67/68/63/452676863.db2.gz	SCTWRESOEGMMHL-UHFFFAOYSA-N	-1	0	331.349	3.240	50	0		EGAARM
CCCC[C@H](CCC(=O)Nc1ccc(C(=O)OCC)cc1)C(=O)[O-]	ZINC000002374611	452695326	/nfs/dbraw/zinc/69/53/26/452695326.db2.gz	KIHUQBFPLNMDSV-CYBMUJFWSA-N	-1	0	335.400	3.473	50	0		EGAARM
CCc1c(C)nc2c(-c3cccc(Br)c3)c[n-]n2c1=O	ZINC000002488619	452699942	/nfs/dbraw/zinc/69/99/42/452699942.db2.gz	MIYHPWWTPUYSHX-UHFFFAOYSA-N	-1	0	332.201	3.323	50	0		EGAARM
CCCCOC(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1	ZINC000002729558	452716429	/nfs/dbraw/zinc/71/64/29/452716429.db2.gz	FNKRETGBTXXBRB-JKSUJKDBSA-N	-1	0	347.411	3.473	50	0		EGAARM
Cc1ccccc1Cn1cc([N-]S(=O)(=O)c2ccc(F)cc2)cn1	ZINC000002767705	452722446	/nfs/dbraw/zinc/72/24/46/452722446.db2.gz	NSGHRJURSOHICT-UHFFFAOYSA-N	-1	0	345.399	3.180	50	0		EGAARM
COc1ccc(CCn2c(=O)c3ccccc3[n-]c2=S)cc1OC	ZINC000002788039	452723800	/nfs/dbraw/zinc/72/38/00/452723800.db2.gz	AHPDQPJQSCAGGL-UHFFFAOYSA-N	-1	0	342.420	3.319	50	0		EGAARM
O=C([O-])Cn1c2ccccc2nc1SCCOc1ccccc1F	ZINC000002915677	452735867	/nfs/dbraw/zinc/73/58/67/452735867.db2.gz	ZNRFTUGFUAAFSR-UHFFFAOYSA-N	-1	0	346.383	3.431	50	0		EGAARM
O=C([O-])CSc1nnc(NC(=O)Nc2ccc(Cl)cc2)s1	ZINC000005253846	452851024	/nfs/dbraw/zinc/85/10/24/452851024.db2.gz	DEWRHFZVGDTMJB-UHFFFAOYSA-N	-1	0	344.805	3.012	50	0		EGAARM
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)c1	ZINC000005329259	452858389	/nfs/dbraw/zinc/85/83/89/452858389.db2.gz	LFMODWDQJKIILC-UHFFFAOYSA-N	-1	0	344.436	3.231	50	0		EGAARM
COC(=O)c1ccc(Oc2c(C)oc3cc([O-])ccc3c2=O)cc1	ZINC000005730181	452899024	/nfs/dbraw/zinc/89/90/24/452899024.db2.gz	XSBZKAXHWUDYHJ-UHFFFAOYSA-N	-1	0	326.304	3.386	50	0	biogenic	EGAARM
Cc1cc([O-])c(C2=NCCS[C@@H](c3ccccc3O)C2)c(=O)o1	ZINC000005730262	452900271	/nfs/dbraw/zinc/90/02/71/452900271.db2.gz	CRWFUOOQLGQOFW-OAHLLOKOSA-N	-1	0	331.393	3.027	50	0	biogenic	EGAARM
CC[C@H](C)[C@H](NC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)[O-]	ZINC000006224652	452927333	/nfs/dbraw/zinc/92/73/33/452927333.db2.gz	WUJIUOWQTOPWOO-YOEHRIQHSA-N	-1	0	332.444	3.150	50	0		EGAARM
Cc1nn(C)cc1S(=O)(=O)[N-]c1ccccc1Cc1ccccc1	ZINC000006706506	452973487	/nfs/dbraw/zinc/97/34/87/452973487.db2.gz	XGXMVRYLWKCVFB-UHFFFAOYSA-N	-1	0	341.436	3.120	50	0		EGAARM
CC(C)OC(=O)c1cc(C(C)C)sc1NC(=O)CCC(=O)[O-]	ZINC000006731153	452977345	/nfs/dbraw/zinc/97/73/45/452977345.db2.gz	BVWYJTGKPQFVDB-UHFFFAOYSA-N	-1	0	327.402	3.240	50	0		EGAARM
O=C([O-])c1ccccc1C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1	ZINC000006746491	452982458	/nfs/dbraw/zinc/98/24/58/452982458.db2.gz	RDCWTWYLLAJMTE-HNNXBMFYSA-N	-1	0	341.363	3.195	50	0		EGAARM
CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)cc1	ZINC000007056148	453026211	/nfs/dbraw/zinc/02/62/11/453026211.db2.gz	BDASCUMMZYRMMD-GFCCVEGCSA-N	-1	0	332.425	3.100	50	0		EGAARM
CCOc1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)cc1	ZINC000007709428	453106935	/nfs/dbraw/zinc/10/69/35/453106935.db2.gz	NDTILUUMHGYSPP-UHFFFAOYSA-N	-1	0	328.393	3.434	50	0		EGAARM
Cc1cccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1	ZINC000008696860	453222529	/nfs/dbraw/zinc/22/25/29/453222529.db2.gz	VDERVOUFODAPED-UHFFFAOYSA-N	-1	0	332.303	3.089	50	0		EGAARM
Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])c(C)cc1Cl	ZINC000008715006	453226537	/nfs/dbraw/zinc/22/65/37/453226537.db2.gz	QDQCXZFRMMNENS-UHFFFAOYSA-N	-1	0	339.800	3.456	50	0		EGAARM
Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])cc1	ZINC000009191464	453246473	/nfs/dbraw/zinc/24/64/73/453246473.db2.gz	GBAOAWVZMZQULB-UHFFFAOYSA-N	-1	0	325.773	3.147	50	0		EGAARM
C[C@H](CCc1ccccc1)NC(=O)CSc1ncccc1C(=O)[O-]	ZINC000013188454	453451888	/nfs/dbraw/zinc/45/18/88/453451888.db2.gz	RZYIERIILBFFNQ-CYBMUJFWSA-N	-1	0	344.436	3.009	50	0		EGAARM
CSCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)[O-]	ZINC000013729119	453486258	/nfs/dbraw/zinc/48/62/58/453486258.db2.gz	HECMOUCFMHUWNN-MRXNPFEDSA-N	-1	0	343.448	3.141	50	0		EGAARM
O=c1[n-]c(Nc2cccc(Br)c2)nnc1-c1ccccc1	ZINC000016675970	453619453	/nfs/dbraw/zinc/61/94/53/453619453.db2.gz	UQLOGSSTXCBXMN-UHFFFAOYSA-N	-1	0	343.184	3.338	50	0		EGAARM
Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1Cc1ccccc1Cl	ZINC000018222485	453648213	/nfs/dbraw/zinc/64/82/13/453648213.db2.gz	GKVPPGBOQFSZGC-CQSZACIVSA-N	-1	0	328.803	3.328	50	0		EGAARM
Cc1cc(S(=O)(=O)[N-]c2ccccc2O)ccc1Br	ZINC000041091872	453955558	/nfs/dbraw/zinc/95/55/58/453955558.db2.gz	DSTVAOWZCRCWJP-UHFFFAOYSA-N	-1	0	342.214	3.264	50	0		EGAARM
CC1CCN(c2ccc(Nc3nc(=O)c(C(C)(C)C)n[n-]3)cc2)CC1	ZINC000057779134	454146530	/nfs/dbraw/zinc/14/65/30/454146530.db2.gz	LVFYYGTVVDIRLE-UHFFFAOYSA-N	-1	0	341.459	3.442	50	0		EGAARM
COc1cccc(OC[C@H]2CCCN(c3ccc(C(=O)[O-])cn3)C2)c1	ZINC000095498124	454220948	/nfs/dbraw/zinc/22/09/48/454220948.db2.gz	YGHXNXFVZAKTTJ-AWEZNQCLSA-N	-1	0	342.395	3.084	50	0		EGAARM
O=C([O-])[C@@H](Sc1nc(C(F)(F)F)cc(=O)[nH]1)c1ccccc1	ZINC000096306365	454318487	/nfs/dbraw/zinc/31/84/87/454318487.db2.gz	AMYGLRWXUQANHO-JTQLQIEISA-N	-1	0	330.287	3.119	50	0		EGAARM
Cc1ncsc1CN(Cc1ccccc1)C(=O)CCCC(=O)[O-]	ZINC000426434110	457830552	/nfs/dbraw/zinc/83/05/52/457830552.db2.gz	MXCRNUUIFOBECU-UHFFFAOYSA-N	-1	0	332.425	3.235	50	0		EGAARM
O=C([O-])COc1ccccc1CN1CCCC[C@@H]1c1nccs1	ZINC000534582494	459335522	/nfs/dbraw/zinc/33/55/22/459335522.db2.gz	TWVIZMWQARHYQQ-CQSZACIVSA-N	-1	0	332.425	3.334	50	0		EGAARM
CCc1ncc2c(n1)CN(c1nc(-c3ccccc3)ccc1C(=O)[O-])C2	ZINC000067472737	1292160801	/nfs/dbraw/zinc/16/08/01/1292160801.db2.gz	GRYHEQBCRBGUBA-UHFFFAOYSA-N	-1	0	346.390	3.319	50	0		EGAARM
CC[C@H](C)[C@H](NC(=O)CCn1ccc2ccc(Cl)cc21)C(=O)[O-]	ZINC000071745156	1292268029	/nfs/dbraw/zinc/26/80/29/1292268029.db2.gz	IUTZOUDSDUNHPO-ZBEGNZNMSA-N	-1	0	336.819	3.300	50	0		EGAARM
O=C([O-])[C@@H]1[C@@H]2CC=C[C@@H]2c2cc([N+](=O)[O-])cc3c2N1C[C@@H]1CC=C[C@@H]31	ZINC000247374510	1296389665	/nfs/dbraw/zinc/38/96/65/1296389665.db2.gz	HXHDAYQUOCEHKQ-IBDZOAASSA-N	-1	0	338.363	3.201	50	0		EGAARM
CCC1(CC)CN(c2noc(-c3ccccc3)c2C(=O)[O-])CCO1	ZINC001704309257	1416437454	/nfs/dbraw/zinc/43/74/54/1416437454.db2.gz	LZAGDSYZMUKHFG-UHFFFAOYSA-N	-1	0	330.384	3.435	50	0		EGAARM
COCC[C@@H]1CCCN(c2noc(-c3ccccc3)c2C(=O)[O-])C1	ZINC001704315605	1416440002	/nfs/dbraw/zinc/44/00/02/1416440002.db2.gz	LSZGJXCWIUWFDB-ZDUSSCGKSA-N	-1	0	330.384	3.293	50	0		EGAARM
Cc1cccc(NC(=O)CSc2nc(=O)c3sccc3[n-]2)c1C	ZINC000051317189	214087929	/nfs/dbraw/zinc/08/79/29/214087929.db2.gz	FRDIRFYXEFTVEX-UHFFFAOYSA-N	-1	0	345.449	3.332	50	0		EGAARM
O=S(=O)([O-])c1ccc(Oc2ccc(Br)cc2)cc1	ZINC000004619513	210232400	/nfs/dbraw/zinc/23/24/00/210232400.db2.gz	DEQBSLRJMNLAHO-UHFFFAOYSA-N	-1	0	329.171	3.488	50	0		EGAARM
CC(C)COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)[O-])cc1	ZINC000004526230	210215216	/nfs/dbraw/zinc/21/52/16/210215216.db2.gz	CHRGWBKTNXKEAV-YBEGLDIGSA-N	-1	0	329.352	3.170	50	0		EGAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4C)c=3c2=O)cc1	ZINC000004483631	210199682	/nfs/dbraw/zinc/19/96/82/210199682.db2.gz	FWTWOUCONSBOKO-QZTJIDSGSA-N	-1	0	348.406	3.051	50	0		EGAARM
Cc1cccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CCC4)c1	ZINC000100613753	219102797	/nfs/dbraw/zinc/10/27/97/219102797.db2.gz	FZENJQBKHKWBSG-UHFFFAOYSA-N	-1	0	334.375	3.214	50	0		EGAARM
CCn1c(=O)c(C(=O)Nc2ccc(F)c(F)c2)c([O-])c2ccccc21	ZINC000100694783	219103923	/nfs/dbraw/zinc/10/39/23/219103923.db2.gz	FAFXGMVIJKEKKH-UHFFFAOYSA-N	-1	0	344.317	3.258	50	0		EGAARM
O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl	ZINC000048567794	213945425	/nfs/dbraw/zinc/94/54/25/213945425.db2.gz	JOFHLNMKIXEQMM-UHFFFAOYSA-N	-1	0	346.191	3.492	50	0		EGAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C)c4)c=3c2=O)cc1	ZINC000101418328	219126439	/nfs/dbraw/zinc/12/64/39/219126439.db2.gz	LQERDMJHYPOABJ-ZWKOTPCHSA-N	-1	0	348.406	3.051	50	0		EGAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(C)cc4)c=3c2=O)cc1	ZINC000101418336	219126726	/nfs/dbraw/zinc/12/67/26/219126726.db2.gz	LIMLRDTWIZAIDC-MSOLQXFVSA-N	-1	0	348.406	3.051	50	0		EGAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(C)cc4)c=3c2=O)cc1	ZINC000101418339	219126728	/nfs/dbraw/zinc/12/67/28/219126728.db2.gz	LIMLRDTWIZAIDC-ZWKOTPCHSA-N	-1	0	348.406	3.051	50	0		EGAARM
CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(F)c(F)c1)C(=O)[O-]	ZINC000004241113	210150330	/nfs/dbraw/zinc/15/03/30/210150330.db2.gz	UOBIEKXTHCSFGK-KRWDZBQOSA-N	-1	0	341.354	3.362	50	0		EGAARM
Cc1cccc(S(=O)(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)c1	ZINC000067172784	215120532	/nfs/dbraw/zinc/12/05/32/215120532.db2.gz	CKFZEEMWWVYFEJ-UHFFFAOYSA-N	-1	0	335.331	3.360	50	0		EGAARM
Cc1cc([O-])c(-c2ccnc3c(-c4ccc(F)cc4)cnn32)c(=O)o1	ZINC000067630475	215170120	/nfs/dbraw/zinc/17/01/20/215170120.db2.gz	WYBARRMRQPMAOZ-UHFFFAOYSA-N	-1	0	337.310	3.170	50	0		EGAARM
CCCc1nc(C(=O)N2CC[C@H](c3ccccc3C(=O)[O-])C2)cs1	ZINC000072153296	216042203	/nfs/dbraw/zinc/04/22/03/216042203.db2.gz	SJHXKYGVFWPUEL-LBPRGKRZSA-N	-1	0	344.436	3.424	50	0		EGAARM
CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(C)c2)cc1	ZINC000000106272	209424097	/nfs/dbraw/zinc/42/40/97/209424097.db2.gz	XFKCFHFRGANTPL-QGZVFWFLSA-N	-1	0	327.380	3.340	50	0		EGAARM
Cc1ccc(-c2csc3ncn([C@H](C)C(=O)[O-])c(=O)c23)cc1C	ZINC000000098761	209418311	/nfs/dbraw/zinc/41/83/11/209418311.db2.gz	AQBHNBFOXYLAJF-LLVKDONJSA-N	-1	0	328.393	3.387	50	0		EGAARM
Cc1cccc(C[C@H]2CC(=O)N(c3ccc(C=CC(=O)[O-])cc3)C2=O)c1	ZINC000022215652	212282874	/nfs/dbraw/zinc/28/28/74/212282874.db2.gz	NESCSAZSPUPZOK-JEJOPICUSA-N	-1	0	349.386	3.215	50	0		EGAARM
Cn1cc(C(=O)[O-])c(C(=O)Nc2ccc(Oc3ccccc3)cc2)n1	ZINC000020614534	212155285	/nfs/dbraw/zinc/15/52/85/212155285.db2.gz	MXXLJWJEBHURMV-UHFFFAOYSA-N	-1	0	337.335	3.163	50	0		EGAARM
C[C@H](C(=O)Nc1c(Cl)cccc1Cl)n1ccc(C(=O)[O-])n1	ZINC000020614574	212154517	/nfs/dbraw/zinc/15/45/17/212154517.db2.gz	UNFHSMSIMFIHSN-SSDOTTSWSA-N	-1	0	328.155	3.088	50	0		EGAARM
COc1ccc([C@@H]2C(CC(=O)[O-])C(=O)C(=O)N2c2ccccc2)cc1	ZINC000020440468	212129157	/nfs/dbraw/zinc/12/91/57/212129157.db2.gz	GHAMAABQYIMQSA-QGZVFWFLSA-N	-1	0	339.347	3.070	50	0		EGAARM
Cc1ccc(Cl)cc1NC(=O)c1c([O-])c2ccccc2[nH]c1=O	ZINC000012414638	211372857	/nfs/dbraw/zinc/37/28/57/211372857.db2.gz	WZCVMSJNKWZLCX-UHFFFAOYSA-N	-1	0	328.755	3.448	50	0		EGAARM
COc1ccc([C@H](NC(=O)c2ccccc2)C(C)(C)C(=O)[O-])cc1	ZINC000011887879	211264056	/nfs/dbraw/zinc/26/40/56/211264056.db2.gz	NDMFNCYTXXYWRP-INIZCTEOSA-N	-1	0	327.380	3.277	50	0		EGAARM
CCC[C@]1(C(=O)[O-])CCCN(C(=O)c2c(F)ccc(OC)c2F)C1	ZINC000091896247	218086255	/nfs/dbraw/zinc/08/62/55/218086255.db2.gz	CYHOQHWORCAXKU-KRWDZBQOSA-N	-1	0	341.354	3.081	50	0		EGAARM
COCc1ccc(C(=O)N2CCC[C@](CC3CC3)(C(=O)[O-])C2)s1	ZINC000091965274	218096189	/nfs/dbraw/zinc/09/61/89/218096189.db2.gz	MCGXBFDQMKJEHG-QGZVFWFLSA-N	-1	0	337.441	3.002	50	0		EGAARM
COCc1[n-]n2c(nc(C)c(Cl)c2=O)c1-c1ccc(Cl)cc1	ZINC000009877280	211129546	/nfs/dbraw/zinc/12/95/46/211129546.db2.gz	LFDVZADFBRLFBS-UHFFFAOYSA-N	-1	0	338.194	3.451	50	0		EGAARM
CC(=O)c1c(C)nc(-c2ccccc2Cl)nc1SCC(=O)[O-]	ZINC000009530628	211100306	/nfs/dbraw/zinc/10/03/06/211100306.db2.gz	HQLIKYXQYZUGLR-UHFFFAOYSA-N	-1	0	336.800	3.485	50	0		EGAARM
Cc1cc(CN(C)[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)on1	ZINC000095361723	218294352	/nfs/dbraw/zinc/29/43/52/218294352.db2.gz	AELVMBJKUYCWIX-ZDUSSCGKSA-N	-1	0	328.290	3.260	50	0		EGAARM
CN(C(=O)CC12CC3CC(CC(C3)C1)C2)[C@H](C(=O)[O-])c1cccnc1	ZINC000095508444	218420325	/nfs/dbraw/zinc/42/03/25/218420325.db2.gz	OAYMOCFMCAXIHG-ITOSSNOYSA-N	-1	0	342.439	3.272	50	0		EGAARM
O=C([O-])c1ccc([C@H]2CC(=O)Nc3c2c(=O)[nH]n3C2CCCC2)cc1	ZINC000071280387	304250836	/nfs/dbraw/zinc/25/08/36/304250836.db2.gz	NGHZCHMLECZHDD-CYBMUJFWSA-N	-1	0	341.367	3.113	50	0		EGAARM
COc1ccccc1[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)[O-])c2N1	ZINC000004827393	210288990	/nfs/dbraw/zinc/28/89/90/210288990.db2.gz	NRJIGCFSMOJIPE-CMPLNLGQSA-N	-1	0	341.289	3.250	50	0		EGAARM
CC(C)c1ccc(OCC(=O)Nc2ccc(O)cc2C(=O)[O-])cc1	ZINC000004825610	210289109	/nfs/dbraw/zinc/28/91/09/210289109.db2.gz	QNZQJAWGYWWQHU-UHFFFAOYSA-N	-1	0	329.352	3.231	50	0		EGAARM
O=C([O-])c1ccccc1[C@H]1CCN(c2ncnc3ccsc32)C1	ZINC000072144026	304271848	/nfs/dbraw/zinc/27/18/48/304271848.db2.gz	GXPLBUFDOAZDFS-NSHDSACASA-N	-1	0	325.393	3.383	50	0		EGAARM
CC(=O)c1c([O-])c2c(-c3ccccc3)cc(=O)oc2c(C(C)=O)c1O	ZINC000000386236	278241870	/nfs/dbraw/zinc/24/18/70/278241870.db2.gz	KZRFEGICLBOVBX-UHFFFAOYSA-N	-1	0	338.315	3.276	50	0		EGAARM
CC(C)c1nnc2n1N1C(=CS[C@@H]1c1ccc(C(=O)[O-])cc1)S2	ZINC000020731056	280732821	/nfs/dbraw/zinc/73/28/21/280732821.db2.gz	FUSPFBYGGOYIFI-CYBMUJFWSA-N	-1	0	346.437	3.388	50	0		EGAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1	ZINC000000080835	452502057	/nfs/dbraw/zinc/50/20/57/452502057.db2.gz	AHYFYYVVAXRMKB-QGZVFWFLSA-N	-1	0	338.363	3.090	50	0		EGAARM
CCc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1	ZINC000000092737	452503747	/nfs/dbraw/zinc/50/37/47/452503747.db2.gz	ODHCIBCTBAEFBH-SFHVURJKSA-N	-1	0	336.391	3.156	50	0		EGAARM
COC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000000093678	452506878	/nfs/dbraw/zinc/50/68/78/452506878.db2.gz	MGUYTMBNWANARW-UHFFFAOYSA-N	-1	0	339.800	3.236	50	0		EGAARM
Cc1ccc(S(=O)(=O)[N-]c2nnc(CC(C)(C)C)s2)cc1	ZINC000000249605	452545983	/nfs/dbraw/zinc/54/59/83/452545983.db2.gz	AHTPYRHNFNHCNG-UHFFFAOYSA-N	-1	0	325.459	3.236	50	0		EGAARM
Cc1cccc(C[C@@H]2CC(=O)N(c3cccc(C=CC(=O)[O-])c3)C2=O)c1	ZINC000000550459	452619937	/nfs/dbraw/zinc/61/99/37/452619937.db2.gz	QXRFMJPUNITBRH-KBOKABMXSA-N	-1	0	349.386	3.215	50	0		EGAARM
CCOC(=O)N=c1[n-]nc(Cc2cccc(Br)c2)s1	ZINC000000618341	452633641	/nfs/dbraw/zinc/63/36/41/452633641.db2.gz	RHJSYUBXDWEKRD-UHFFFAOYSA-N	-1	0	342.218	3.460	50	0		EGAARM
O=C([O-])c1ccc(-c2nnn(Cc3cccc(C(F)(F)F)c3)n2)cc1	ZINC000000615414	452631648	/nfs/dbraw/zinc/63/16/48/452631648.db2.gz	ILEUVDBITKKOLV-UHFFFAOYSA-N	-1	0	348.284	3.105	50	0		EGAARM
CCC(CC)c1nnc([N-]S(=O)(=O)Cc2ccccc2)s1	ZINC000000617595	452633165	/nfs/dbraw/zinc/63/31/65/452633165.db2.gz	PGPUTZVYBZOOOM-UHFFFAOYSA-N	-1	0	325.459	3.384	50	0		EGAARM
Cc1cccc(N2C(=O)S[C@H](Nc3ccccc3C(=O)[O-])C2=O)c1	ZINC000001318058	452652741	/nfs/dbraw/zinc/65/27/41/452652741.db2.gz	NMJRJKQJGIIQTN-AWEZNQCLSA-N	-1	0	342.376	3.331	50	0		EGAARM
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c[nH]nc2c1	ZINC000001427083	452663654	/nfs/dbraw/zinc/66/36/54/452663654.db2.gz	BOTUSVCERFHUSK-UHFFFAOYSA-N	-1	0	337.788	3.026	50	0		EGAARM
Cc1cc(C(=O)CSCc2nc(=O)c3sccc3[n-]2)c(C)n1C	ZINC000002626324	452707942	/nfs/dbraw/zinc/70/79/42/452707942.db2.gz	VINDEJYZSWXXJS-UHFFFAOYSA-N	-1	0	347.465	3.056	50	0		EGAARM
Cc1cc(S(=O)(=O)[N-]c2ccccn2)c(C)cc1Br	ZINC000005598778	452886763	/nfs/dbraw/zinc/88/67/63/452886763.db2.gz	KSGQOLNLYDLZEF-UHFFFAOYSA-N	-1	0	341.230	3.262	50	0		EGAARM
CCn1cc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)cn1	ZINC000006706481	452974430	/nfs/dbraw/zinc/97/44/30/452974430.db2.gz	DINDDWADAVWDHF-UHFFFAOYSA-N	-1	0	341.436	3.295	50	0		EGAARM
CC(=O)Nc1cccc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])c1	ZINC000006726153	452977607	/nfs/dbraw/zinc/97/76/07/452977607.db2.gz	ADYVEIWMHIRONU-HOTGVXAUSA-N	-1	0	330.384	3.031	50	0		EGAARM
COc1cc(OC)c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1Cl	ZINC000006731854	452979885	/nfs/dbraw/zinc/97/98/85/452979885.db2.gz	CNZSIQRCTSPQIN-NXEZZACHSA-N	-1	0	341.791	3.187	50	0		EGAARM
O=C([O-])[C@H]1CCCN(C(=O)c2ccccc2COc2ccccc2)C1	ZINC000013171084	453450826	/nfs/dbraw/zinc/45/08/26/453450826.db2.gz	HBRHVWJESVUSQM-HNNXBMFYSA-N	-1	0	339.391	3.202	50	0		EGAARM
Cc1ccc(-c2ccc(/C=C3\NC(=O)[N-]C3=O)o2)c(Br)c1	ZINC000013895850	453490632	/nfs/dbraw/zinc/49/06/32/453490632.db2.gz	YUKVCONJLXFSEZ-GHXNOFRVSA-N	-1	0	347.168	3.198	50	0		EGAARM
CC[C@H](C)n1c(=O)c([C@H]2OC(=O)c3ccccc32)c([O-])[nH]c1=S	ZINC000017027926	453625982	/nfs/dbraw/zinc/62/59/82/453625982.db2.gz	MVQJPLCDDBTBNU-UFBFGSQYSA-N	-1	0	332.381	3.255	50	0		EGAARM
O=C([O-])C[C@@H](Cc1cc(F)c(F)cc1F)NOCc1ccccc1	ZINC000034577522	453920071	/nfs/dbraw/zinc/92/00/71/453920071.db2.gz	WNCDQXXKCXRWRC-CYBMUJFWSA-N	-1	0	339.313	3.211	50	0		EGAARM
O=C([O-])[C@@H]1c2ccccc2C(=O)N(Cc2ccco2)C12CCCC2	ZINC000044921499	454127026	/nfs/dbraw/zinc/12/70/26/454127026.db2.gz	POZIYBSVYVDVDW-INIZCTEOSA-N	-1	0	325.364	3.417	50	0		EGAARM
COc1ccc(-c2cnn3c2nccc3-c2c([O-])cc(C)oc2=O)cc1	ZINC000095477465	454220119	/nfs/dbraw/zinc/22/01/19/454220119.db2.gz	HHHCYCMZDLFESQ-UHFFFAOYSA-N	-1	0	349.346	3.039	50	0		EGAARM
C[C@H](Oc1ccc2ccccc2c1)C(=O)NC1(C(=O)[O-])CCCC1	ZINC000095501339	454222001	/nfs/dbraw/zinc/22/20/01/454222001.db2.gz	MIHZWVHYDVUKRG-ZDUSSCGKSA-N	-1	0	327.380	3.121	50	0		EGAARM
Cc1cc2cc(C(=O)N(CCC(=O)[O-])Cc3cccnc3)ccc2o1	ZINC000095507081	454223286	/nfs/dbraw/zinc/22/32/86/454223286.db2.gz	CRZZTISZDTUGRG-UHFFFAOYSA-N	-1	0	338.363	3.253	50	0		EGAARM
Cc1c2c(cc(=O)n1C1CC1)[n-]n(-c1nc3ccccc3s1)c2=O	ZINC000101512458	454470980	/nfs/dbraw/zinc/47/09/80/454470980.db2.gz	LZHYXLXBKYZZHU-UHFFFAOYSA-N	-1	0	338.392	3.097	50	0		EGAARM
COc1cc2c(cc1OC)-c1[n-]n(-c3ccc(F)cc3)c(=O)c1CC2	ZINC000138177470	454789456	/nfs/dbraw/zinc/78/94/56/454789456.db2.gz	PHASRIMFFSYNQZ-CQSZACIVSA-N	-1	0	340.354	3.156	50	0		EGAARM
O=C([O-])[C@@H]1CCCN(C(=O)c2ccccc2NCc2cccs2)C1	ZINC000426419764	457825990	/nfs/dbraw/zinc/82/59/90/457825990.db2.gz	MMDLLOHYQNXKBB-CYBMUJFWSA-N	-1	0	344.436	3.297	50	0		EGAARM
CC(C)C[C@H](CNC(=O)c1cccc(-c2cnco2)c1)CC(=O)[O-]	ZINC000585135123	459827737	/nfs/dbraw/zinc/82/77/37/459827737.db2.gz	YOEVXABSWMZFGG-ZDUSSCGKSA-N	-1	0	330.384	3.208	50	0		EGAARM
COc1ccc(Cl)cc1C(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1	ZINC000218647674	536547815	/nfs/dbraw/zinc/54/78/15/536547815.db2.gz	OBTZJJWTQLOZAY-OAHLLOKOSA-N	-1	0	333.771	3.213	50	0		EGAARM
Cc1cc(N2C[C@@H]3COCC[C@]3(C(=O)[O-])C2)nc2cc(Cl)ccc12	ZINC001772711521	1441417341	/nfs/dbraw/zinc/41/73/41/1441417341.db2.gz	ZTDRXSKFBSDPRK-XIKOKIGWSA-N	-1	0	346.814	3.124	50	0		EGAARM
Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)N1CCCCC1	ZINC000004742560	210266054	/nfs/dbraw/zinc/26/60/54/210266054.db2.gz	BBJFKRNDXGECPC-UHFFFAOYSA-N	-1	0	335.787	3.015	50	0		EGAARM
O=C([O-])c1ccc2[nH]c(-c3ccccc3OCCn3ccnc3)nc2c1	ZINC000055308613	214304885	/nfs/dbraw/zinc/30/48/85/214304885.db2.gz	HOTSTEBMEGRDTR-UHFFFAOYSA-N	-1	0	348.362	3.204	50	0		EGAARM
Cc1ccc(C(=O)[O-])c(N[C@@H]2SC(=O)N(c3ccccc3)C2=O)c1	ZINC000004514057	210210107	/nfs/dbraw/zinc/21/01/07/210210107.db2.gz	LSFCRUMBWWLJAD-CQSZACIVSA-N	-1	0	342.376	3.331	50	0		EGAARM
O=c1c2c(nc3[n-]c(C(c4ccccc4)c4ccccc4)nn31)CCC2	ZINC000100650724	219103501	/nfs/dbraw/zinc/10/35/01/219103501.db2.gz	TVXZWWDUYSNUNJ-UHFFFAOYSA-N	-1	0	342.402	3.087	50	0		EGAARM
CCCCN1C(=O)[N-]C(=O)C(=C(CC)NCCC2=CCCCC2)C1=O	ZINC000101083482	219115884	/nfs/dbraw/zinc/11/58/84/219115884.db2.gz	HBYUJLKCUUDNLH-FOCLMDBBSA-N	-1	0	347.459	3.009	50	0		EGAARM
Cc1[n-]n2c(nc(CSc3ncccn3)cc2=O)c1-c1ccccc1	ZINC000101479331	219128087	/nfs/dbraw/zinc/12/80/87/219128087.db2.gz	UEAGVTIPVJHRST-UHFFFAOYSA-N	-1	0	349.419	3.080	50	0		EGAARM
CC(C)(C)OC(=O)N1C[C@H](Cc2ccc(F)c(F)c2)C[C@H]1C(=O)[O-]	ZINC000004241442	210149834	/nfs/dbraw/zinc/14/98/34/210149834.db2.gz	XWPPSCLTPIAQRJ-RISCZKNCSA-N	-1	0	341.354	3.218	50	0		EGAARM
O=C([O-])C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCO2	ZINC000003856202	210080337	/nfs/dbraw/zinc/08/03/37/210080337.db2.gz	WVRICKARICCKCN-CYBMUJFWSA-N	-1	0	347.754	3.015	50	0		EGAARM
Cc1cc(C)n(C[C@@H](C)Nc2ncnc3sc(C(=O)[O-])c(C)c32)n1	ZINC000067880961	215239160	/nfs/dbraw/zinc/23/91/60/215239160.db2.gz	AWGNCRDMDBYLSB-SECBINFHSA-N	-1	0	345.428	3.012	50	0		EGAARM
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Br)cc1F	ZINC000002734361	209897790	/nfs/dbraw/zinc/89/77/90/209897790.db2.gz	LGLQLMOMMALFKA-UWVGGRQHSA-N	-1	0	342.164	3.194	50	0		EGAARM
O=C([O-])[C@@H]1C[C@@H](Cc2ccccc2)CN1C(=O)OCc1ccccc1	ZINC000039297572	213233992	/nfs/dbraw/zinc/23/39/92/213233992.db2.gz	KOJYRKKMDHAISI-MSOLQXFVSA-N	-1	0	339.391	3.341	50	0		EGAARM
O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(F)cc1	ZINC000000529387	209650195	/nfs/dbraw/zinc/65/01/95/209650195.db2.gz	CIHQNVARDNBZGB-QGZVFWFLSA-N	-1	0	340.354	3.368	50	0		EGAARM
COc1ccc(C)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1O	ZINC000035592590	213040383	/nfs/dbraw/zinc/04/03/83/213040383.db2.gz	SFNFOZRZUZRFFH-UHFFFAOYSA-N	-1	0	327.789	3.163	50	0		EGAARM
O=C([O-])[C@H]1c2[nH]cnc2CCN1Cc1cccc(Oc2ccccc2)c1	ZINC000072420487	216208870	/nfs/dbraw/zinc/20/88/70/216208870.db2.gz	NNFDSFKHWCJJCI-LJQANCHMSA-N	-1	0	349.390	3.386	50	0		EGAARM
Cc1cc(COc2ccccc2)oc1C(=O)NC1(C(=O)[O-])CCCC1	ZINC000244874551	243094788	/nfs/dbraw/zinc/09/47/88/243094788.db2.gz	XDBYOELNTHGNDU-UHFFFAOYSA-N	-1	0	343.379	3.294	50	0		EGAARM
CCCC1(C(=O)[O-])CCN(C(=O)CCc2ccc(N(C)C)cc2)CC1	ZINC000252496043	243810533	/nfs/dbraw/zinc/81/05/33/243810533.db2.gz	PEJLJLVUXPDNBY-UHFFFAOYSA-N	-1	0	346.471	3.179	50	0		EGAARM
CN(C(=O)c1cccc(NC(=O)CCCC(=O)[O-])c1)c1ccccc1	ZINC000012406093	211370574	/nfs/dbraw/zinc/37/05/74/211370574.db2.gz	APBAPCSLKUWGTP-UHFFFAOYSA-N	-1	0	340.379	3.157	50	0		EGAARM
CC[C@H](C)NC(=O)c1cccc(NC(=O)c2ccccc2C(=O)[O-])c1	ZINC000012138592	211303914	/nfs/dbraw/zinc/30/39/14/211303914.db2.gz	IALLGVWYLYXUCT-LBPRGKRZSA-N	-1	0	340.379	3.165	50	0		EGAARM
O=C([O-])CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1	ZINC000009738456	211121309	/nfs/dbraw/zinc/12/13/09/211121309.db2.gz	GSUHRTPRFGKPIZ-UHFFFAOYSA-N	-1	0	349.799	3.417	50	0		EGAARM
COc1ccccc1[N-]S(=O)(=O)c1ccccc1Br	ZINC000009645064	211110958	/nfs/dbraw/zinc/11/09/58/211110958.db2.gz	ZFKOGIZQVJFPRA-UHFFFAOYSA-N	-1	0	342.214	3.259	50	0		EGAARM
O=C([O-])c1cccc(NC(=O)c2ccc(Br)s2)c1	ZINC000004749371	210268786	/nfs/dbraw/zinc/26/87/86/210268786.db2.gz	HBYQQKKVJBFTPJ-UHFFFAOYSA-N	-1	0	326.171	3.461	50	0		EGAARM
O=C([O-])c1ccc(C(=O)N2CCC[C@H](OCc3ccccc3)C2)s1	ZINC000097568924	219035182	/nfs/dbraw/zinc/03/51/82/219035182.db2.gz	UNQUSSGTFHKLBJ-AWEZNQCLSA-N	-1	0	345.420	3.268	50	0		EGAARM
O=C([O-])[C@@H]1CS[C@@H](c2ccc(OCc3cccc(F)c3)cc2)N1	ZINC000000031828	258047189	/nfs/dbraw/zinc/04/71/89/258047189.db2.gz	HSDWOBKUUZLTNK-HOTGVXAUSA-N	-1	0	333.384	3.193	50	0		EGAARM
CC(C)(C)OC(=O)N1CCC(c2cccc(CCC(=O)[O-])n2)CC1	ZINC000077011017	278382835	/nfs/dbraw/zinc/38/28/35/278382835.db2.gz	FDWZIHOMNXOCLT-UHFFFAOYSA-N	-1	0	334.416	3.213	50	0		EGAARM
O=C(NC1CCCCCC1)c1c([O-])c2cccc3c2n(c1=O)CCC3	ZINC000100749118	303743159	/nfs/dbraw/zinc/74/31/59/303743159.db2.gz	LTKZXVRTMTUTJN-UHFFFAOYSA-N	-1	0	340.423	3.106	50	0		EGAARM
C[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccccc1)C(=O)[O-]	ZINC000000080096	452500347	/nfs/dbraw/zinc/50/03/47/452500347.db2.gz	YKAQAXFMGQXMMV-GFCCVEGCSA-N	-1	0	325.393	3.500	50	0		EGAARM
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000000094943	452505661	/nfs/dbraw/zinc/50/56/61/452505661.db2.gz	PNCIQZQDCYGQGQ-CYBMUJFWSA-N	-1	0	336.775	3.142	50	0		EGAARM
COC(=O)c1cscc1NC(=O)C[C@@H](CC(=O)[O-])c1ccccc1	ZINC000000152816	452522819	/nfs/dbraw/zinc/52/28/19/452522819.db2.gz	UJOHJOGUOWCXRB-LBPRGKRZSA-N	-1	0	347.392	3.122	50	0		EGAARM
CSc1nc2sc3c(c2c(SCC(=O)[O-])n1)CCCC3	ZINC000000554914	452620873	/nfs/dbraw/zinc/62/08/73/452620873.db2.gz	GSPUPXWHPJRTTB-UHFFFAOYSA-N	-1	0	326.468	3.469	50	0		EGAARM
Cc1nn(Cc2ccccc2)c(C)c1[N-]S(=O)(=O)c1ccccc1	ZINC000000609098	452629452	/nfs/dbraw/zinc/62/94/52/452629452.db2.gz	PXOWFBKKQFQBAB-UHFFFAOYSA-N	-1	0	341.436	3.349	50	0		EGAARM
O=C1NC(=S)NC1=Cc1ccccc1OCc1ccccc1Cl	ZINC000001086689	452645114	/nfs/dbraw/zinc/64/51/14/452645114.db2.gz	DYWKCFWJTOXCKJ-NTEUORMPSA-N	-1	0	344.823	3.264	50	0		EGAARM
O=C([O-])c1ccc(N[C@H]2SC(=O)N(c3ccccc3)C2=O)cc1	ZINC000001232441	452648301	/nfs/dbraw/zinc/64/83/01/452648301.db2.gz	LMNXIHPWMNLQSD-ZDUSSCGKSA-N	-1	0	328.349	3.023	50	0		EGAARM
CCCn1c(=O)c(C(=O)Nc2ccc(O)cc2)c([O-])c2ccccc21	ZINC000001247019	452649142	/nfs/dbraw/zinc/64/91/42/452649142.db2.gz	GWZMAZLWCTZIIZ-UHFFFAOYSA-N	-1	0	338.363	3.075	50	0		EGAARM
Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000002730688	452716264	/nfs/dbraw/zinc/71/62/64/452716264.db2.gz	FKVPYYHSYHJQOL-VIFPVBQESA-N	-1	0	341.289	3.108	50	0		EGAARM
COC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCC(=O)[O-]	ZINC000002761582	452721345	/nfs/dbraw/zinc/72/13/45/452721345.db2.gz	YCXNXMWDLDPZCZ-UHFFFAOYSA-N	-1	0	333.365	3.005	50	0		EGAARM
O=c1cc([O-])c2c(cc(-c3ccccc3)n(-c3ccccc3)c2=O)o1	ZINC000005731518	452899502	/nfs/dbraw/zinc/89/95/02/452899502.db2.gz	HUZKNNZZOXINTC-UHFFFAOYSA-N	-1	0	331.327	3.317	50	0		EGAARM
Cc1oc2c(C)c([O-])ccc2c(=O)c1-c1nncn1-c1ccccc1	ZINC000005925624	452909759	/nfs/dbraw/zinc/90/97/59/452909759.db2.gz	NRWAXYQTCRAKHU-UHFFFAOYSA-N	-1	0	333.347	3.363	50	0		EGAARM
CC(C)(C)c1ccc(C(=O)Nc2cnn(CCCC(=O)[O-])c2)cc1	ZINC000006703004	452973110	/nfs/dbraw/zinc/97/31/10/452973110.db2.gz	GXVXBOQEPHWAHB-UHFFFAOYSA-N	-1	0	329.400	3.298	50	0		EGAARM
COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc(Cl)cn1	ZINC000006706943	452975415	/nfs/dbraw/zinc/97/54/15/452975415.db2.gz	MKEVZESYWJSFEG-UHFFFAOYSA-N	-1	0	326.805	3.161	50	0		EGAARM
O=C([O-])CSc1nnc(COc2ccc(Cl)cc2Cl)o1	ZINC000008362785	453197249	/nfs/dbraw/zinc/19/72/49/453197249.db2.gz	FFCADKCPKNDIHY-UHFFFAOYSA-N	-1	0	335.168	3.132	50	0		EGAARM
O=c1cc([O-])c2sc3nc4c(c(C(F)(F)F)c3c2[nH]1)CCC4	ZINC000008417852	453203154	/nfs/dbraw/zinc/20/31/54/453203154.db2.gz	KYGQPUKHJRUMSL-UHFFFAOYSA-N	-1	0	326.299	3.351	50	0		EGAARM
CCn1ccc(-c2cc(C(=O)[O-])c3c(C)nn(C4CCCC4)c3n2)n1	ZINC000012396985	453358869	/nfs/dbraw/zinc/35/88/69/453358869.db2.gz	QNUGZGPKDVZSGA-UHFFFAOYSA-N	-1	0	339.399	3.436	50	0		EGAARM
CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(Cl)cc2)C[C@H]1C(=O)[O-]	ZINC000014632488	453540075	/nfs/dbraw/zinc/54/00/75/453540075.db2.gz	XQRJMROGXSIXNT-STQMWFEESA-N	-1	0	341.791	3.181	50	0		EGAARM
CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2)C[C@H]1C(=O)[O-]	ZINC000014632473	453540407	/nfs/dbraw/zinc/54/04/07/453540407.db2.gz	RHZIYXIKVQLGRP-STQMWFEESA-N	-1	0	341.791	3.181	50	0		EGAARM
CCc1nc2sc3c(c2c(N2CCC[C@H](C(=O)[O-])C2)n1)CCC3	ZINC000041090218	453955896	/nfs/dbraw/zinc/95/58/96/453955896.db2.gz	IYQMKGDXZOCMDN-JTQLQIEISA-N	-1	0	331.441	3.043	50	0		EGAARM
[O-]c1c([C@@H](c2ccccc2Cl)N2CCCC2)sc2ncnn12	ZINC000041637724	453974817	/nfs/dbraw/zinc/97/48/17/453974817.db2.gz	WJWRPZHOJCGPIG-GFCCVEGCSA-N	-1	0	334.832	3.335	50	0		EGAARM
C[C@H](Sc1nc2cc(C(=O)[O-])ccc2[nH]1)C(=O)Nc1ccccc1	ZINC000076565751	454016030	/nfs/dbraw/zinc/01/60/30/454016030.db2.gz	OHZRQDRSNWSPQY-JTQLQIEISA-N	-1	0	341.392	3.380	50	0		EGAARM
Cc1ccc(CCNc2nccc(-c3cc(C(=O)[O-])ccn3)n2)s1	ZINC000077538927	454119467	/nfs/dbraw/zinc/11/94/67/454119467.db2.gz	ARGCMUAHRHFFKJ-UHFFFAOYSA-N	-1	0	340.408	3.261	50	0		EGAARM
O=C([O-])[C@@H]1CC[C@H](C(=O)N(Cc2ccncc2)C2CCCCC2)C1	ZINC000097137133	454414222	/nfs/dbraw/zinc/41/42/22/454414222.db2.gz	AUZFDTUUYVTYAN-JKSUJKDBSA-N	-1	0	330.428	3.244	50	0		EGAARM
O=C([O-])c1ccc(OCc2ccccc2)c(NC(=O)[C@@H]2CCCO2)c1	ZINC000585134309	459828035	/nfs/dbraw/zinc/82/80/35/459828035.db2.gz	MQZXQMGHGYIEDK-KRWDZBQOSA-N	-1	0	341.363	3.081	50	0		EGAARM
Cc1cc2oc(-c3ccc(Cl)s3)c(CC(=O)[O-])c2c(=O)n1C	ZINC000604419317	460424631	/nfs/dbraw/zinc/42/46/31/460424631.db2.gz	RQSPBRZZMSXSAV-UHFFFAOYSA-N	-1	0	337.784	3.449	50	0		EGAARM
O=C([O-])[C@@H]1[C@@H]2CC=C[C@@H]2c2cc([N+](=O)[O-])cc3c2N1C[C@H]1CC=C[C@H]31	ZINC000247374502	1296390495	/nfs/dbraw/zinc/39/04/95/1296390495.db2.gz	HXHDAYQUOCEHKQ-ANXWAFIOSA-N	-1	0	338.363	3.201	50	0		EGAARM
Cc1ccc(C)c(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)c1	ZINC000100662957	219104190	/nfs/dbraw/zinc/10/41/90/219104190.db2.gz	XSLDMAAEORCJFW-UHFFFAOYSA-N	-1	0	334.375	3.132	50	0		EGAARM
O=C1C[C@@H](SC(=S)[N-]c2ccccc2)C(=O)N1c1ccccc1	ZINC000101442680	219127540	/nfs/dbraw/zinc/12/75/40/219127540.db2.gz	YRGWXJNDVQWHRB-CQSZACIVSA-N	-1	0	342.445	3.449	50	0		EGAARM
COc1cccc(Nc2nnc(Cc3ccc(F)cc3)c(=O)[n-]2)c1	ZINC000004317185	210168529	/nfs/dbraw/zinc/16/85/29/210168529.db2.gz	UFBSBRCHPZOEQK-UHFFFAOYSA-N	-1	0	326.331	3.059	50	0		EGAARM
CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])Cc1cc(F)c(F)cc1F	ZINC000004242020	210150317	/nfs/dbraw/zinc/15/03/17/210150317.db2.gz	TUAXCHGULMWHIO-VIFPVBQESA-N	-1	0	333.306	3.014	50	0		EGAARM
O=C([O-])[C@H](NC(=O)c1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2	ZINC000004031804	210104700	/nfs/dbraw/zinc/10/47/00/210104700.db2.gz	YUFSHYRSVIKQNJ-RTLPCREESA-N	-1	0	331.387	3.225	50	0		EGAARM
O=C([O-])c1cc(NC(=O)c2ccc(Br)cc2)ccc1O	ZINC000002820951	209922310	/nfs/dbraw/zinc/92/23/10/209922310.db2.gz	QJVANKHCQPCPCB-UHFFFAOYSA-N	-1	0	336.141	3.105	50	0		EGAARM
CC(C)=CCC[C@@]1(C)OC(=O)N(CCCCCC(=O)[O-])[C@@]1(C)O	ZINC000002491264	209857376	/nfs/dbraw/zinc/85/73/76/209857376.db2.gz	JYNJXJGAWYBQLR-SJORKVTESA-N	-1	0	327.421	3.297	50	0		EGAARM
Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000040267558	213285530	/nfs/dbraw/zinc/28/55/30/213285530.db2.gz	MHOQYVXWZAIMNQ-GFCCVEGCSA-N	-1	0	348.399	3.194	50	0		EGAARM
O=C([O-])[C@@H]1CC(=O)N(c2ccc3nc(-c4cccc(F)c4)oc3c2)C1	ZINC000070461337	215697614	/nfs/dbraw/zinc/69/76/14/215697614.db2.gz	OARTUWBEUKAXRU-LLVKDONJSA-N	-1	0	340.310	3.071	50	0		EGAARM
O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](Cc3cccc(C(=O)[O-])c3)C2)cc1	ZINC000072143202	216029528	/nfs/dbraw/zinc/02/95/28/216029528.db2.gz	NQAMYBPANUDSPL-INIZCTEOSA-N	-1	0	339.391	3.148	50	0		EGAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(Cl)s2)c1	ZINC000000374919	209557354	/nfs/dbraw/zinc/55/73/54/209557354.db2.gz	HGWOPGDYUZYMRH-UHFFFAOYSA-N	-1	0	333.818	3.220	50	0		EGAARM
COc1cccc(-c2nccn2Cc2cccc(C(=O)[O-])c2)c1OC	ZINC000072430101	216222124	/nfs/dbraw/zinc/22/21/24/216222124.db2.gz	FSOMXOXRLHNPRF-UHFFFAOYSA-N	-1	0	338.363	3.314	50	0		EGAARM
COc1ccc(-c2cc(=O)n(-c3nc4ccccc4[nH]3)[n-]2)cc1OC	ZINC000009191578	211050893	/nfs/dbraw/zinc/05/08/93/211050893.db2.gz	HXSYVHNBEVFDLF-UHFFFAOYSA-N	-1	0	336.351	3.138	50	0		EGAARM
Cc1ccccc1[C@@H](C(=O)[O-])N(C)Cc1cc(-c2ccncc2)no1	ZINC000095378234	218311510	/nfs/dbraw/zinc/31/15/10/218311510.db2.gz	ZZEWKUUVPBFKAV-SFHVURJKSA-N	-1	0	337.379	3.303	50	0		EGAARM
CCc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)[nH]1	ZINC000095388667	218320291	/nfs/dbraw/zinc/32/02/91/218320291.db2.gz	QKAQKQRPOISLCM-HNNXBMFYSA-N	-1	0	326.396	3.295	50	0		EGAARM
O=C([O-])c1ccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@H]3C2=O)cc1	ZINC000018244028	304246256	/nfs/dbraw/zinc/24/62/56/304246256.db2.gz	UJAJOWHSJQVELS-CGTJXYLNSA-N	-1	0	349.386	3.458	50	0		EGAARM
O=C([O-])c1ccc2c(c1)C(=O)N(c1ccccc1C(F)(F)F)C2=O	ZINC000000201162	304252385	/nfs/dbraw/zinc/25/23/85/304252385.db2.gz	LUKYKPAINCDVNZ-UHFFFAOYSA-N	-1	0	335.237	3.204	50	0		EGAARM
CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])cc1	ZINC000004818751	210286290	/nfs/dbraw/zinc/28/62/90/210286290.db2.gz	RCLVXILSHQBSON-HZPDHXFCSA-N	-1	0	345.395	3.249	50	0		EGAARM
CCn1cc(CN(C)Cc2csc(C)n2)c2cc(C(=O)[O-])ncc21	ZINC000097529055	219033671	/nfs/dbraw/zinc/03/36/71/219033671.db2.gz	BVSHXZQYKPEYND-UHFFFAOYSA-N	-1	0	344.440	3.151	50	0		EGAARM
O=C([O-])c1ccccc1[C@H]1CCN(c2noc(-c3ccccc3)n2)C1	ZINC000072165104	304271849	/nfs/dbraw/zinc/27/18/49/304271849.db2.gz	OJPDFJKMUMQEDR-AWEZNQCLSA-N	-1	0	335.363	3.429	50	0		EGAARM
Cc1cccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2Cl)c1	ZINC000000465956	258048420	/nfs/dbraw/zinc/04/84/20/258048420.db2.gz	SNUAWGIVLNMWAK-UHFFFAOYSA-N	-1	0	348.811	3.473	50	0		EGAARM
CC(C)n1c2nc(C3CC3)c(Cl)c(C(=O)[O-])c2c(=O)[nH]c1=S	ZINC000036617099	280762523	/nfs/dbraw/zinc/76/25/23/280762523.db2.gz	WUIQVFUTGCGQLR-UHFFFAOYSA-N	-1	0	339.804	3.264	50	0		EGAARM
O=C([O-])CCC(=O)Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1	ZINC000000125581	452513853	/nfs/dbraw/zinc/51/38/53/452513853.db2.gz	PSCRNIQGBCBXPU-UHFFFAOYSA-N	-1	0	346.770	3.396	50	0		EGAARM
COc1ccc(NC(=O)c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1Cl	ZINC000000148419	452521453	/nfs/dbraw/zinc/52/14/53/452521453.db2.gz	ALLQFJGMILKBRY-SNVBAGLBSA-N	-1	0	349.770	3.453	50	0		EGAARM
Cc1ccc(-n2c(SCC(=O)[O-])nnc2-c2ccccc2)cc1	ZINC000000350965	452567565	/nfs/dbraw/zinc/56/75/65/452567565.db2.gz	AWXLVZDLCOOFNZ-UHFFFAOYSA-N	-1	0	325.393	3.419	50	0		EGAARM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(F)ccc1OC	ZINC000000384614	452576842	/nfs/dbraw/zinc/57/68/42/452576842.db2.gz	WDPROUWTGNNKKX-UHFFFAOYSA-N	-1	0	345.779	3.297	50	0		EGAARM
CCOc1ccc(NC(=O)[C@H](CC(=O)[O-])Cc2ccccc2)cc1	ZINC000000459417	452599101	/nfs/dbraw/zinc/59/91/01/452599101.db2.gz	YBEQWEMECKSBSO-HNNXBMFYSA-N	-1	0	327.380	3.357	50	0		EGAARM
O=S(=O)([N-]c1ccc(F)cc1)c1ccc(Br)s1	ZINC000000479466	452603966	/nfs/dbraw/zinc/60/39/66/452603966.db2.gz	PZRYNEBYHCDETM-UHFFFAOYSA-N	-1	0	336.207	3.451	50	0		EGAARM
O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)c2ccccc2)c1	ZINC000000568695	452623621	/nfs/dbraw/zinc/62/36/21/452623621.db2.gz	HWYGPBLJIDYXQY-UHFFFAOYSA-N	-1	0	334.784	3.165	50	0		EGAARM
COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1ccccc1O	ZINC000000611689	452631596	/nfs/dbraw/zinc/63/15/96/452631596.db2.gz	CYHRLKWAGMVBCL-UHFFFAOYSA-N	-1	0	327.789	3.163	50	0		EGAARM
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(C(C)C)cc2)cc1	ZINC000002959960	452735603	/nfs/dbraw/zinc/73/56/03/452735603.db2.gz	KCDFUHDUHZTDKK-UHFFFAOYSA-N	-1	0	347.436	3.398	50	0		EGAARM
O=C([O-])c1cc(NC/C=C/c2ccccc2)ccc1N1CCOCC1	ZINC000004386332	452801570	/nfs/dbraw/zinc/80/15/70/452801570.db2.gz	FALXHHPOPPCZHN-QPJJXVBHSA-N	-1	0	338.407	3.347	50	0		EGAARM
CCOc1ccc(Cc2nnc(Nc3ccccc3C)[n-]c2=O)cc1	ZINC000005154527	452840811	/nfs/dbraw/zinc/84/08/11/452840811.db2.gz	QLWSDMSBZOYXDL-UHFFFAOYSA-N	-1	0	336.395	3.206	50	0		EGAARM
Cc1cc(NS(=O)(=O)c2ccc(F)cc2)ccc1N1CCCC1=O	ZINC000005329296	452858135	/nfs/dbraw/zinc/85/81/35/452858135.db2.gz	PMKVIGDACYGIEU-UHFFFAOYSA-N	-1	0	348.399	3.062	50	0		EGAARM
CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCC(=O)[O-]	ZINC000005953204	452912152	/nfs/dbraw/zinc/91/21/52/452912152.db2.gz	KTYSQGFRUIXZKK-UHFFFAOYSA-N	-1	0	347.392	3.395	50	0		EGAARM
CCOC(=O)C=C([O-])c1sc(SCc2ccccc2)nc1N	ZINC000006697236	452969929	/nfs/dbraw/zinc/96/99/29/452969929.db2.gz	YIKPQEHSOLQEFG-UHFFFAOYSA-N	-1	0	336.438	3.154	50	0		EGAARM
CC(=O)N(C)c1ccc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])cc1	ZINC000006728956	452978358	/nfs/dbraw/zinc/97/83/58/452978358.db2.gz	ZYHUUPIZAORDHO-DLBZAZTESA-N	-1	0	344.411	3.055	50	0		EGAARM
COc1cc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c(OC)cc1C	ZINC000008132528	453166642	/nfs/dbraw/zinc/16/66/42/453166642.db2.gz	GTFIHQDBSMXULY-UHFFFAOYSA-N	-1	0	335.425	3.430	50	0		EGAARM
CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1	ZINC000008714574	453227024	/nfs/dbraw/zinc/22/70/24/453227024.db2.gz	QWULAMIYVJUGHC-UHFFFAOYSA-N	-1	0	333.409	3.483	50	0		EGAARM
Cc1nn(C)cc1-c1cc(C(=O)[O-])c2c(n1)onc2-c1ccccc1	ZINC000012397265	453358632	/nfs/dbraw/zinc/35/86/32/453358632.db2.gz	IQANVUBRHQKIHK-UHFFFAOYSA-N	-1	0	334.335	3.297	50	0		EGAARM
Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000013439770	453462936	/nfs/dbraw/zinc/46/29/36/453462936.db2.gz	OJOXVUMGNDXNIL-UHFFFAOYSA-N	-1	0	333.771	3.293	50	0		EGAARM
O=c1[n-]c(SCCOc2ccccc2)nnc1-c1ccccc1	ZINC000013629569	453477474	/nfs/dbraw/zinc/47/74/74/453477474.db2.gz	XNSLHIQMIKBWOU-UHFFFAOYSA-N	-1	0	325.393	3.003	50	0		EGAARM
CC(C)(C)OC(=O)N1C[C@@H](Oc2ccccc2Cl)C[C@H]1C(=O)[O-]	ZINC000014632449	453539786	/nfs/dbraw/zinc/53/97/86/453539786.db2.gz	IZDZLCJBKPFIJC-JQWIXIFHSA-N	-1	0	341.791	3.181	50	0		EGAARM
CCOc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)[O-])cc1	ZINC000015821552	453586135	/nfs/dbraw/zinc/58/61/35/453586135.db2.gz	IMCVUOZMLOBMIG-SFQUDFHCSA-N	-1	0	325.364	3.249	50	0		EGAARM
COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1	ZINC000016623887	453615743	/nfs/dbraw/zinc/61/57/43/453615743.db2.gz	CVMCDBONAMSAOA-UHFFFAOYSA-N	-1	0	327.789	3.158	50	0		EGAARM
CC[C@@H](C)n1c(=O)c([C@H]2OC(=O)c3ccccc32)c([O-])[nH]c1=S	ZINC000017027924	453626585	/nfs/dbraw/zinc/62/65/85/453626585.db2.gz	MVQJPLCDDBTBNU-PELKAZGASA-N	-1	0	332.381	3.255	50	0		EGAARM
COc1ccc(-c2n[n-]c(=NC(=O)OCC(C)C)s2)cc1OC	ZINC000017207865	453630790	/nfs/dbraw/zinc/63/07/90/453630790.db2.gz	RDDCAIBBQUCEJH-UHFFFAOYSA-N	-1	0	337.401	3.427	50	0		EGAARM
O=C(CCc1cc(=O)[n-]o1)N1CCCC[C@@H]1CCc1cccs1	ZINC000077407623	454102492	/nfs/dbraw/zinc/10/24/92/454102492.db2.gz	OPHWRWUQEGITLZ-CYBMUJFWSA-N	-1	0	334.441	3.388	50	0		EGAARM
O=C(CCc1cc(=O)[n-]o1)N1CCCC[C@H]1CCc1cccs1	ZINC000077407622	454102643	/nfs/dbraw/zinc/10/26/43/454102643.db2.gz	OPHWRWUQEGITLZ-ZDUSSCGKSA-N	-1	0	334.441	3.388	50	0		EGAARM
O=C([O-])c1ccccc1CN1CCO[C@H](Cc2ccccc2Cl)C1	ZINC000071614868	454209203	/nfs/dbraw/zinc/20/92/03/454209203.db2.gz	ZBFZFSJBFQKCHY-MRXNPFEDSA-N	-1	0	345.826	3.482	50	0		EGAARM
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2	ZINC000065365479	454554347	/nfs/dbraw/zinc/55/43/47/454554347.db2.gz	UFUIJJUXBILROO-INIZCTEOSA-N	-1	0	347.374	3.353	50	0		EGAARM
CC[C@H](C)c1ccccc1OCC(=O)NCc1ccc(C(=O)[O-])o1	ZINC000262027842	455987942	/nfs/dbraw/zinc/98/79/42/455987942.db2.gz	ALIOFGLPNNKPHD-LBPRGKRZSA-N	-1	0	331.368	3.187	50	0		EGAARM
CCOc1cc(CN2CCC(F)(F)CC2)ccc1O[C@@H](C)C(=O)[O-]	ZINC000215700361	456026307	/nfs/dbraw/zinc/02/63/07/456026307.db2.gz	GOMOTYJCHUDNAJ-LBPRGKRZSA-N	-1	0	343.370	3.168	50	0		EGAARM
COc1cc(C(=O)N2CCC[C@H]2c2nc(C(=O)[O-])cs2)ccc1C	ZINC000585134378	459827704	/nfs/dbraw/zinc/82/77/04/459827704.db2.gz	QBXMRAAZBZHVSD-ZDUSSCGKSA-N	-1	0	346.408	3.136	50	0		EGAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)c1	ZINC000037384321	472011889	/nfs/dbraw/zinc/01/18/89/472011889.db2.gz	CTXCRSIRJKGJKV-UHFFFAOYSA-N	-1	0	341.230	3.262	50	0		EGAARM
O=C([O-])[C@@H]1C[C@H]2C[C@H]2N1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000253189021	568415526	/nfs/dbraw/zinc/41/55/26/568415526.db2.gz	XOOXAQNBHBESGV-DPMMWBKBSA-N	-1	0	349.386	3.483	50	0		EGAARM
Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(F)cc3)[nH]n2)cc1	ZINC000005490672	1291029084	/nfs/dbraw/zinc/02/90/84/1291029084.db2.gz	GOMLNJWWEDPUQD-UHFFFAOYSA-N	-1	0	331.372	3.325	50	0		EGAARM
CCCn1c(=O)c(C(=O)Nc2ncc(C)s2)c([O-])c2ccccc21	ZINC000006493405	1291046094	/nfs/dbraw/zinc/04/60/94/1291046094.db2.gz	FTJPPCVTASFYPJ-UHFFFAOYSA-N	-1	0	343.408	3.134	50	0		EGAARM
[O-]c1ccc(Cl)c(CN2CCC[C@@H](c3nnc[nH]3)C2)c1Cl	ZINC000097679825	219046595	/nfs/dbraw/zinc/04/65/95/219046595.db2.gz	ZMJZXIVEUYPHQE-SECBINFHSA-N	-1	0	327.215	3.197	50	0		EGAARM
COc1ccc([C@@H](CC(=O)[O-])NC(=O)Nc2ccccc2)cc1OC	ZINC000004689399	210248851	/nfs/dbraw/zinc/24/88/51/210248851.db2.gz	DFAWTADXHFXKQQ-CQSZACIVSA-N	-1	0	344.367	3.041	50	0		EGAARM
CCCn1c2ccccc2c([O-])c(C(=O)Nc2cccc(C)n2)c1=O	ZINC000100467659	219099594	/nfs/dbraw/zinc/09/95/94/219099594.db2.gz	GTUYYRBOGBGMKC-UHFFFAOYSA-N	-1	0	337.379	3.073	50	0		EGAARM
CCCCn1c(=O)c(C(=O)Nc2nccs2)c([O-])c2ccccc21	ZINC000100498522	219100388	/nfs/dbraw/zinc/10/03/88/219100388.db2.gz	DREFYWNZLFMCLU-UHFFFAOYSA-N	-1	0	343.408	3.216	50	0	biogenic,in-vitro	EGAARM
CCOc1ccc(OCC(=O)c2c([O-])c3ccccc3oc2=O)cc1	ZINC000101168815	219118679	/nfs/dbraw/zinc/11/86/79/219118679.db2.gz	VROCBPDYDDKJIB-UHFFFAOYSA-N	-1	0	340.331	3.159	50	0		EGAARM
Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)cc1	ZINC000101260792	219119422	/nfs/dbraw/zinc/11/94/22/219119422.db2.gz	XEJIEUJYFDJMAJ-SJORKVTESA-N	-1	0	334.379	3.110	50	0		EGAARM
O=C([O-])c1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1O	ZINC000004138969	210130259	/nfs/dbraw/zinc/13/02/59/210130259.db2.gz	QXZNFXSPMLZFMU-UHFFFAOYSA-N	-1	0	344.348	3.369	50	0		EGAARM
O=C([O-])c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1	ZINC000003888894	210085404	/nfs/dbraw/zinc/08/54/04/210085404.db2.gz	KCTGBSZXRNRGOD-UHFFFAOYSA-N	-1	0	330.347	3.240	50	0	in-vitro	EGAARM
Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)cc1	ZINC000003024304	209954958	/nfs/dbraw/zinc/95/49/58/209954958.db2.gz	YKYCELLZOAVFCT-UHFFFAOYSA-N	-1	0	331.422	3.314	50	0		EGAARM
O=C([O-])c1ccc(C(F)(F)F)n(Cc2ccc(Cl)cc2)c1=O	ZINC000002578135	209869562	/nfs/dbraw/zinc/86/95/62/209869562.db2.gz	QOQRTVZFTFYMRJ-UHFFFAOYSA-N	-1	0	331.677	3.267	50	0		EGAARM
CCC(=O)Nc1cc(NC(=O)c2ccccc2C(=O)[O-])ccc1C	ZINC000036566978	213101031	/nfs/dbraw/zinc/10/10/31/213101031.db2.gz	JQJZCLQOGQSDOQ-UHFFFAOYSA-N	-1	0	326.352	3.294	50	0		EGAARM
O=C([O-])c1nn(Cc2c(F)cccc2Cl)cc1Br	ZINC000072115355	216011121	/nfs/dbraw/zinc/01/11/21/216011121.db2.gz	DLLPXHCWXKWORO-UHFFFAOYSA-N	-1	0	333.544	3.185	50	0		EGAARM
Cc1sc2ncnc(N[C@H](Cc3ccccc3)C(=O)[O-])c2c1C	ZINC000000314758	209531472	/nfs/dbraw/zinc/53/14/72/209531472.db2.gz	ITCLRZBSYTWDRG-CYBMUJFWSA-N	-1	0	327.409	3.416	50	0		EGAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1	ZINC000000080832	209406978	/nfs/dbraw/zinc/40/69/78/209406978.db2.gz	AHYFYYVVAXRMKB-KRWDZBQOSA-N	-1	0	338.363	3.090	50	0	biogenic,in-vitro	EGAARM
Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)cc1	ZINC000023125745	212350210	/nfs/dbraw/zinc/35/02/10/212350210.db2.gz	XEJIEUJYFDJMAJ-IAGOWNOFSA-N	-1	0	334.379	3.110	50	0		EGAARM
CC[C@H](C)OC(=O)[C@H]1CC=CC[C@H]1C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000245253720	243100859	/nfs/dbraw/zinc/10/08/59/243100859.db2.gz	LPBJSBYDQADWLR-MAZHCROVSA-N	-1	0	345.395	3.247	50	0		EGAARM
O=C([O-])[C@@H]1CCCN1c1ncnc2sc(-c3ccccc3)cc21	ZINC000020318017	212118736	/nfs/dbraw/zinc/11/87/36/212118736.db2.gz	YYBDNFCDZRLPTF-ZDUSSCGKSA-N	-1	0	325.393	3.412	50	0		EGAARM
O=C([O-])c1ccc(N2C(=S)N=NC2Cc2ccc(Cl)cc2)cc1	ZINC000020100117	212100746	/nfs/dbraw/zinc/10/07/46/212100746.db2.gz	ZMAAJZGYXWDWSP-UHFFFAOYSA-N	-1	0	345.811	3.498	50	0		EGAARM
CCOc1cc(-c2nccn2-c2cncc(C(=O)[O-])c2)ccc1OC	ZINC000077488911	216917212	/nfs/dbraw/zinc/91/72/12/216917212.db2.gz	DXNMOSXAHBKPOF-UHFFFAOYSA-N	-1	0	339.351	3.040	50	0		EGAARM
CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1	ZINC000012138594	211303262	/nfs/dbraw/zinc/30/32/62/211303262.db2.gz	KNEGVRQYNSQQCA-GFCCVEGCSA-N	-1	0	340.379	3.165	50	0		EGAARM
CC(C)c1noc(CN2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)n1	ZINC000095371303	218304225	/nfs/dbraw/zinc/30/42/25/218304225.db2.gz	HKUPCQPFYGRREV-HNNXBMFYSA-N	-1	0	329.400	3.271	50	0		EGAARM
O=C([O-])c1ccc([C@@H]2CC(=O)Nc3c2c(=O)[nH]n3C2CCCC2)cc1	ZINC000071280386	304250666	/nfs/dbraw/zinc/25/06/66/304250666.db2.gz	NGHZCHMLECZHDD-ZDUSSCGKSA-N	-1	0	341.367	3.113	50	0		EGAARM
O=C([O-])c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O	ZINC000000231626	304252003	/nfs/dbraw/zinc/25/20/03/304252003.db2.gz	NIYITOBHYIPJJI-UHFFFAOYSA-N	-1	0	336.130	3.492	50	0		EGAARM
Cc1c(C(=O)[O-])cnn1-c1nccc(-c2ccccc2C(F)(F)F)n1	ZINC000299797095	258101005	/nfs/dbraw/zinc/10/10/05/258101005.db2.gz	PLDGJXFRRNRCLC-UHFFFAOYSA-N	-1	0	348.284	3.355	50	0		EGAARM
CC(C)(C)OC(=O)N1CCC2(C=C(C(=O)[O-])c3ccccc32)CC1	ZINC000051943354	278383070	/nfs/dbraw/zinc/38/30/70/278383070.db2.gz	JIXCGOZFMCOYSW-UHFFFAOYSA-N	-1	0	329.396	3.437	50	0		EGAARM
COc1c(C(=O)[O-])cc(I)cc1C(F)(F)F	ZINC000094986137	294888341	/nfs/dbraw/zinc/88/83/41/294888341.db2.gz	BMDXNAMGZCFUIZ-UHFFFAOYSA-N	-1	0	346.042	3.017	50	0		EGAARM
Cc1ccc([C@@H]2SC[C@H](C(=O)[O-])N2C(=O)c2ccc(F)cc2)cc1	ZINC000000107216	301774036	/nfs/dbraw/zinc/77/40/36/301774036.db2.gz	DZTIRHYRVGCXOL-WBVHZDCISA-N	-1	0	345.395	3.475	50	0		EGAARM
Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1C(=O)[O-]	ZINC000037420058	453935698	/nfs/dbraw/zinc/93/56/98/453935698.db2.gz	LKHQBGDGSQVXBS-UHFFFAOYSA-N	-1	0	325.773	3.147	50	0		EGAARM
CCOc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2ccc(F)cc2)cc1	ZINC000000105930	452508917	/nfs/dbraw/zinc/50/89/17/452508917.db2.gz	JEPHMQVXBBEKQA-KRWDZBQOSA-N	-1	0	345.370	3.099	50	0		EGAARM
CCOc1ccc([C@H](CC(=O)[O-])NC(=O)C2CCCCC2)cc1OC	ZINC000000203473	452534579	/nfs/dbraw/zinc/53/45/79/452534579.db2.gz	FNODCBXIDWFBKQ-HNNXBMFYSA-N	-1	0	349.427	3.306	50	0		EGAARM
Cc1ccc(NC(=O)c2cccc(NC(=O)CCC(=O)[O-])c2)cc1	ZINC000000378320	452574190	/nfs/dbraw/zinc/57/41/90/452574190.db2.gz	REZFDPMANVGRLK-UHFFFAOYSA-N	-1	0	326.352	3.051	50	0		EGAARM
CCCn1c(=O)c2ccc(C(=O)NC3CCCCC3)cc2[n-]c1=S	ZINC000000425384	452586963	/nfs/dbraw/zinc/58/69/63/452586963.db2.gz	YITQLRBASCKSIA-UHFFFAOYSA-N	-1	0	345.468	3.158	50	0		EGAARM
CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OCC)cc1	ZINC000000470985	452602578	/nfs/dbraw/zinc/60/25/78/452602578.db2.gz	LRGXJHPESRPBJJ-UHFFFAOYSA-N	-1	0	349.408	3.063	50	0		EGAARM
CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1	ZINC000000813869	452637890	/nfs/dbraw/zinc/63/78/90/452637890.db2.gz	ZRIOCQBDATXXSN-NSHDSACASA-N	-1	0	338.454	3.077	50	0		EGAARM
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(Br)cc1F	ZINC000002734360	452718268	/nfs/dbraw/zinc/71/82/68/452718268.db2.gz	LGLQLMOMMALFKA-NXEZZACHSA-N	-1	0	342.164	3.194	50	0		EGAARM
CC[C@@H](C)[C@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)[O-]	ZINC000005354974	452863218	/nfs/dbraw/zinc/86/32/18/452863218.db2.gz	CONJVKOOFPYKRB-KCJUWKMLSA-N	-1	0	334.294	3.206	50	0		EGAARM
COC(=O)c1c(-c2cccc(C)c2)csc1NC(=O)CCC(=O)[O-]	ZINC000006217446	452926251	/nfs/dbraw/zinc/92/62/51/452926251.db2.gz	BQWTUEJVCCWZGW-UHFFFAOYSA-N	-1	0	347.392	3.313	50	0		EGAARM
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N1CCC(Cc2ccccc2)CC1	ZINC000006338632	452936988	/nfs/dbraw/zinc/93/69/88/452936988.db2.gz	XOKBMWSDZRZJOZ-QZTJIDSGSA-N	-1	0	329.440	3.359	50	0		EGAARM
CSc1nc2c3c(sc2c(SCC(=O)[O-])n1)CCCC3	ZINC000006662458	452965279	/nfs/dbraw/zinc/96/52/79/452965279.db2.gz	JCSAAIPITFPCJX-UHFFFAOYSA-N	-1	0	326.468	3.469	50	0		EGAARM
Cc1nn2c([n-]1)nc(CSc1nc3ccccc3s1)cc2=O	ZINC000008602303	453217938	/nfs/dbraw/zinc/21/79/38/453217938.db2.gz	YXLWVQIDPAUOQH-UHFFFAOYSA-N	-1	0	329.410	3.040	50	0		EGAARM
O=C([O-])CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O	ZINC000008731862	453230705	/nfs/dbraw/zinc/23/07/05/453230705.db2.gz	GENIQYJGGOCVRV-UHFFFAOYSA-N	-1	0	328.755	3.192	50	0		EGAARM
O=S(=O)([N-]c1ccon1)c1cc(Cl)c(Cl)cc1Cl	ZINC000013947909	453492718	/nfs/dbraw/zinc/49/27/18/453492718.db2.gz	QHWRYVVFNTUSGQ-UHFFFAOYSA-N	-1	0	327.576	3.436	50	0		EGAARM
C[C@H]1CCc2nc([N-]S(=O)(=O)c3cc(F)ccc3F)sc2C1	ZINC000014221932	453521836	/nfs/dbraw/zinc/52/18/36/453521836.db2.gz	YKXIHAZDGMKFFF-QMMMGPOBSA-N	-1	0	344.408	3.347	50	0		EGAARM
COc1ccc(CNc2cccc(C(=O)[O-])c2C)c(OC)c1OC	ZINC000016576988	453611489	/nfs/dbraw/zinc/61/14/89/453611489.db2.gz	KSIZIUVZVYXCBY-UHFFFAOYSA-N	-1	0	331.368	3.331	50	0		EGAARM
O=c1nc(Nc2ccc(F)cc2)[n-]nc1Cc1ccccc1Cl	ZINC000016777331	453621816	/nfs/dbraw/zinc/62/18/16/453621816.db2.gz	GBGWODULUYHMMK-UHFFFAOYSA-N	-1	0	330.750	3.292	50	0		EGAARM
CCc1c(C)sc2[n-]c(=S)n(CCCn3ccnc3)c(=O)c12	ZINC000017070518	453627984	/nfs/dbraw/zinc/62/79/84/453627984.db2.gz	JTHRXQCJEJVKQE-UHFFFAOYSA-N	-1	0	334.470	3.278	50	0		EGAARM
O=C([O-])CSCC(=O)NCCC(c1ccccc1)c1ccccc1	ZINC000017071692	453629352	/nfs/dbraw/zinc/62/93/52/453629352.db2.gz	KMXFOXVATFNCRN-UHFFFAOYSA-N	-1	0	343.448	3.143	50	0		EGAARM
Cc1nc2[n-]c(Cc3ccccc3)nn2c(=O)c1Cc1ccccc1	ZINC000018222070	453648812	/nfs/dbraw/zinc/64/88/12/453648812.db2.gz	KKDJGZMXKOUBFL-UHFFFAOYSA-N	-1	0	330.391	3.320	50	0		EGAARM
COC(=O)c1sccc1NC(=O)CC1(CC(=O)[O-])CCCCC1	ZINC000019925009	453661024	/nfs/dbraw/zinc/66/10/24/453661024.db2.gz	BTAQWQOFNLQQPA-UHFFFAOYSA-N	-1	0	339.413	3.289	50	0		EGAARM
CCc1nc2sc([C@@H](c3ccc(F)cc3)N3CCCC3)c([O-])n2n1	ZINC000022852960	453700591	/nfs/dbraw/zinc/70/05/91/453700591.db2.gz	RDTXQPJDYUOKJS-CQSZACIVSA-N	-1	0	346.431	3.383	50	0		EGAARM
CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c(C)c1C	ZINC000032601661	453879340	/nfs/dbraw/zinc/87/93/40/453879340.db2.gz	BBZXOPZERINDJZ-UHFFFAOYSA-N	-1	0	349.408	3.201	50	0		EGAARM
CCOc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1C	ZINC000032601663	453879375	/nfs/dbraw/zinc/87/93/75/453879375.db2.gz	HEBGLQSNFAKHJP-UHFFFAOYSA-N	-1	0	349.408	3.201	50	0		EGAARM
COc1ccc(NC(=O)c2c[n-]c3cc(F)cc(F)c3c2=O)cc1	ZINC000032608172	453880040	/nfs/dbraw/zinc/88/00/40/453880040.db2.gz	UAHFKSCAELTDGB-UHFFFAOYSA-N	-1	0	330.290	3.067	50	0		EGAARM
O=C([O-])c1nnn(Cc2cccc(C(F)(F)F)c2)c1-c1ccccn1	ZINC000070456991	454169640	/nfs/dbraw/zinc/16/96/40/454169640.db2.gz	ZAVYIPNFALUXPZ-UHFFFAOYSA-N	-1	0	348.284	3.105	50	0		EGAARM
Cc1cnc(C)nc1N1CCC(CCc2ccccc2)(C(=O)[O-])CC1	ZINC000071746389	454211514	/nfs/dbraw/zinc/21/15/14/454211514.db2.gz	XSEQSORMJBLQEP-UHFFFAOYSA-N	-1	0	339.439	3.397	50	0		EGAARM
CN(Cc1ccc(F)cc1)c1nccc(-c2cc(C(=O)[O-])ccn2)n1	ZINC000071760310	454215048	/nfs/dbraw/zinc/21/50/48/454215048.db2.gz	YPEDIDCOIGGZJE-UHFFFAOYSA-N	-1	0	338.342	3.012	50	0		EGAARM
O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N[C@H](CC(F)(F)F)c1ccccc1	ZINC000106828146	454722020	/nfs/dbraw/zinc/72/20/20/454722020.db2.gz	FODSKLMUGWDHFB-BFHYXJOUSA-N	-1	0	341.329	3.463	50	0		EGAARM
Cc1[nH]c2ccccc2c1[C@@H]1CC(=O)N(c2cccc(C(=O)[O-])c2)C1=O	ZINC000111954718	454878346	/nfs/dbraw/zinc/87/83/46/454878346.db2.gz	XPCHQJJZYQCJMG-HNNXBMFYSA-N	-1	0	348.358	3.222	50	0		EGAARM
O=C([O-])c1c(=O)[nH]c2ccccc2c1NCc1ccc(Cl)cc1	ZINC000170624641	454944941	/nfs/dbraw/zinc/94/49/41/454944941.db2.gz	PZIFINRGLDMMNL-UHFFFAOYSA-N	-1	0	328.755	3.492	50	0		EGAARM
Cc1nc(-c2ccc([C@H](C)N3CCOCC3)cc2)sc1C(=O)[O-]	ZINC000534652951	459342848	/nfs/dbraw/zinc/34/28/48/459342848.db2.gz	OBIFGALTWADRFR-LBPRGKRZSA-N	-1	0	332.425	3.210	50	0		EGAARM