smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CNc1nc(Nc2c(F)cccc2Cl)cc(-c2ccccc2)n1	ZINC000328980040	203844850	/nfs/dbraw/zinc/84/48/50/203844850.db2.gz	GKYYHVDRRINWJD-UHFFFAOYSA-N	-1	0	372.787	3.020	40	0		FGABRM
O=C([O-])C1(C[C@@H]2CC(c3ccc(C(F)(F)F)cc3)=NO2)CCOCC1	ZINC000012226293	204444679	/nfs/dbraw/zinc/44/46/79/204444679.db2.gz	AFJKFGUZSSTOAQ-ZDUSSCGKSA-N	-1	0	357.328	3.470	40	0		FGABRM
CCCCC[C@H](O)/C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000013521631	204533419	/nfs/dbraw/zinc/53/34/19/204533419.db2.gz	DZUXGQBLFALXCR-JBHGJIDXSA-N	-1	0	356.503	3.267	40	0		FGABRM
COc1cc(-c2noc(-c3ccccc3C(=O)[O-])n2)cc(OC)c1OC	ZINC000022119731	204770122	/nfs/dbraw/zinc/77/01/22/204770122.db2.gz	HNPTZETVBILVBX-UHFFFAOYSA-N	-1	0	356.334	3.128	40	0		FGABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c1	ZINC000047454285	205147300	/nfs/dbraw/zinc/14/73/00/205147300.db2.gz	ZWWOHZNLFRXVLI-UHFFFAOYSA-N	-1	0	351.424	3.130	40	0		FGABRM
COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cccc(SC)c2)c1	ZINC000063146561	205292062	/nfs/dbraw/zinc/29/20/62/205292062.db2.gz	QLGPWDMPOAWHEU-UHFFFAOYSA-N	-1	0	355.412	3.135	40	0		FGABRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)Nc1ccc(Cc2ccncc2)cc1	ZINC000100836999	205950187	/nfs/dbraw/zinc/95/01/87/205950187.db2.gz	ISNROLLRICGDTA-ISARSNTHSA-N	-1	0	350.418	3.358	40	0		FGABRM
C[C@H](Sc1nnc(COc2ccccc2)n1Cc1ccccc1)C(=O)[O-]	ZINC000004169196	206171113	/nfs/dbraw/zinc/17/11/13/206171113.db2.gz	PBZRYQAEZYCYFL-AWEZNQCLSA-N	-1	0	369.446	3.471	40	0		FGABRM
Cc1ccc(OCC(=O)NC(=S)Nc2cccc(C(=O)[O-])c2C)c(C)c1	ZINC000006613355	206243844	/nfs/dbraw/zinc/24/38/44/206243844.db2.gz	HJOCACUPGLINNY-UHFFFAOYSA-N	-1	0	372.446	3.202	40	0		FGABRM
Nc1c2ccc(-c3cccs3)nc2sc1C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000008783641	206230072	/nfs/dbraw/zinc/23/00/72/206230072.db2.gz	RZWGMDBJTMOMTK-NSHDSACASA-N	-1	0	373.459	3.296	40	0	biogenic,in-vitro	FGABRM
CCc1ccc(OCC(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2C)cc1	ZINC000005877734	206240311	/nfs/dbraw/zinc/24/03/11/206240311.db2.gz	DXVDUTYUXZLZBL-UHFFFAOYSA-N	-1	0	372.446	3.148	40	0		FGABRM
CCOC(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)[O-])cc1	ZINC000169619779	206255685	/nfs/dbraw/zinc/25/56/85/206255685.db2.gz	RASSOCXEEAYAHT-ATLSCFEFSA-N	-1	0	371.433	3.495	40	0		FGABRM
Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)[O-])cc1	ZINC000218393767	206369909	/nfs/dbraw/zinc/36/99/09/206369909.db2.gz	KEBPDVFKWWZVNR-XHSDSOJGSA-N	-1	0	350.823	3.289	40	0		FGABRM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2OC)c(C)c1	ZINC000223692629	206447153	/nfs/dbraw/zinc/44/71/53/206447153.db2.gz	UNFJOQXAFWTFSZ-UHFFFAOYSA-N	-1	0	367.398	3.120	40	0		FGABRM
Cc1cccc(N(CC(=O)[O-])S(=O)(=O)c2ccc3ccccc3c2)c1	ZINC000225042198	206468415	/nfs/dbraw/zinc/46/84/15/206468415.db2.gz	BPFBMGNPHYVIQF-UHFFFAOYSA-N	-1	0	355.415	3.428	40	0		FGABRM
CC(C)(C)C(=O)N1CC[C@H](Cc2cc(-c3cccc(C(=O)[O-])c3)ncn2)C1	ZINC000257236311	206605146	/nfs/dbraw/zinc/60/51/46/206605146.db2.gz	HBODOAHHVKEABL-CQSZACIVSA-N	-1	0	367.449	3.279	40	0		FGABRM
CCn1c2ccc(S(=O)(=O)[N-]c3ccccc3SC)cc2oc1=O	ZINC000019936843	220306745	/nfs/dbraw/zinc/30/67/45/220306745.db2.gz	FVKAWIXOTNLJBH-UHFFFAOYSA-N	-1	0	364.448	3.137	40	0		FGABRM
COc1ccc(-n2[n-]c3[nH]c(-c4ccccc4Cl)cc(=O)c3c2=O)cc1	ZINC000017075517	263372317	/nfs/dbraw/zinc/37/23/17/263372317.db2.gz	YNHOOZBHBLRWMA-UHFFFAOYSA-N	-1	0	367.792	3.336	40	0		FGABRM
Cc1cc(-c2nnc([N-]c3ccn(Cc4ccccc4)n3)s2)n(C)n1	ZINC000002731469	493817292	/nfs/dbraw/zinc/81/72/92/493817292.db2.gz	PFEUXSCKRRVAET-UHFFFAOYSA-N	-1	0	351.439	3.235	40	0		FGABRM
COc1cc(OC)cc(-c2nc(SC(=Cc3ccco3)C(=O)[O-])n[nH]2)c1	ZINC000007342138	494015681	/nfs/dbraw/zinc/01/56/81/494015681.db2.gz	OBCUREHRZOINPT-ZROIWOOFSA-N	-1	0	373.390	3.300	40	0		FGABRM
COc1cc(/C=C/C(=O)N[C@H](C)C(=O)[O-])ccc1OCc1ccccc1C	ZINC000062715166	494021721	/nfs/dbraw/zinc/02/17/21/494021721.db2.gz	ZDZNQCJLMPRZKE-SLZMIMFISA-N	-1	0	369.417	3.185	40	0		FGABRM
COc1cc(C(=O)[O-])cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	ZINC000033648064	494062438	/nfs/dbraw/zinc/06/24/38/494062438.db2.gz	TYLSFBLVAHHQGM-UHFFFAOYSA-N	-1	0	353.733	3.203	40	0		FGABRM
O=C(/C=C/c1cc([N+](=O)[O-])ccc1[O-])N1CCCC[C@H]1c1cccnc1	ZINC000036656456	494094854	/nfs/dbraw/zinc/09/48/54/494094854.db2.gz	YMDRYUYZFIPCEV-NADMHLTPSA-N	-1	0	353.378	3.462	40	0		FGABRM
CCOC(=O)C1=NN(c2cc(Cl)c(Cl)cc2Cl)[C@H](C(=O)[O-])C1	ZINC000071979253	494113239	/nfs/dbraw/zinc/11/32/39/494113239.db2.gz	YWORUKAMDPEQFH-NSHDSACASA-N	-1	0	365.600	3.229	40	0		FGABRM
CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000012496925	494235706	/nfs/dbraw/zinc/23/57/06/494235706.db2.gz	VKTIONYPMSCHQI-JPRPWBOBSA-N	-1	0	354.487	3.475	40	0	endogenous,in-man	FGABRM
CCc1ccc2nc([N-]c3nc(C)c(C(=O)OC)c(C)n3)nc(C)c2c1	ZINC000020634107	494478509	/nfs/dbraw/zinc/47/85/09/494478509.db2.gz	NLOUETSUJWVFDA-UHFFFAOYSA-N	-1	0	351.410	3.438	40	0		FGABRM
CCc1ccc(N2C(=O)C[C@@H](Sc3ccccc3C(=O)[O-])C2=O)cc1	ZINC000101163424	495067569	/nfs/dbraw/zinc/06/75/69/495067569.db2.gz	YXTGSVSIOBQLNC-MRXNPFEDSA-N	-1	0	355.415	3.371	40	0		FGABRM
O=C([O-])C1=Nc2nc(-c3ccccc3)nn2[C@@H](c2c[nH]c3ccccc32)C1	ZINC000102335874	495130628	/nfs/dbraw/zinc/13/06/28/495130628.db2.gz	ILPQMUXTSSUKHR-QGZVFWFLSA-N	-1	0	357.373	3.410	40	0		FGABRM
COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(OC)c2ncccc12	ZINC000223254357	497034384	/nfs/dbraw/zinc/03/43/84/497034384.db2.gz	MARDJPNLADFDJA-UHFFFAOYSA-N	-1	0	358.419	3.361	40	0		FGABRM
COc1cccc(N(CC(=O)[O-])S(=O)(=O)c2ccc3ccccc3c2)c1	ZINC000225047005	497055574	/nfs/dbraw/zinc/05/55/74/497055574.db2.gz	MSYIFQKIYSGNBZ-UHFFFAOYSA-N	-1	0	371.414	3.128	40	0		FGABRM
O=C([O-])CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2)CC1	ZINC000408609079	499593145	/nfs/dbraw/zinc/59/31/45/499593145.db2.gz	NRZCMLVKSZWSKR-LJQANCHMSA-N	-1	0	370.424	3.190	40	0		FGABRM
CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1	ZINC000409383709	570754502	/nfs/dbraw/zinc/75/45/02/570754502.db2.gz	BCMHDAYCGROQTO-UHFFFAOYSA-N	-1	0	352.843	3.117	40	0		FGABRM
CSC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000095774720	571210579	/nfs/dbraw/zinc/21/05/79/571210579.db2.gz	SKNJDZVHMNQAGO-QGZVFWFLSA-N	-1	0	357.431	3.341	40	0		FGABRM
CC(C)C[C@@](C)(CC(=O)[O-])C(=O)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21	ZINC000634923119	717131583	/nfs/dbraw/zinc/13/15/83/717131583.db2.gz	SEFYHSMQOJYFRN-GJYPPUQNSA-N	-1	0	351.487	3.321	40	0		FGABRM
O=C([O-])c1ccc(Oc2ccc3c(c2)C(=O)N(c2cccnc2)C3=O)cc1	ZINC000001090426	203981839	/nfs/dbraw/zinc/98/18/39/203981839.db2.gz	WEACTLOTOAKLLM-UHFFFAOYSA-N	-1	0	360.325	3.373	40	0		FGABRM
COc1ccc(C(=O)C[C@H](C(=O)[O-])c2ccc(OC)c(OC)c2)cc1OC	ZINC000001615076	204013398	/nfs/dbraw/zinc/01/33/98/204013398.db2.gz	CEBYSBHYFIMQJX-AWEZNQCLSA-N	-1	0	374.389	3.162	40	0		FGABRM
COc1ccc(Cc2ccc3[nH]c(=O)cc(C)c3c2)cc1S(=O)(=O)[O-]	ZINC000008582190	204334699	/nfs/dbraw/zinc/33/46/99/204334699.db2.gz	WGEZAODXRMUXFG-UHFFFAOYSA-N	-1	0	359.403	3.095	40	0	in-vitro	FGABRM
CCOC(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1Cl	ZINC000038753940	205041820	/nfs/dbraw/zinc/04/18/20/205041820.db2.gz	YFJFDUIVWTWUJR-UHFFFAOYSA-N	-1	0	353.827	3.459	40	0		FGABRM
Cc1c(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cccc1C(=O)[O-]	ZINC000006571300	206241339	/nfs/dbraw/zinc/24/13/39/206241339.db2.gz	FNNICWSCQRSSDO-UHFFFAOYSA-N	-1	0	362.838	3.402	40	0		FGABRM
Cc1cc(C(=O)[O-])ccc1NC(=O)COc1ccc(Br)cc1	ZINC000013391199	206303442	/nfs/dbraw/zinc/30/34/42/206303442.db2.gz	DDUASLXEAPJGFW-UHFFFAOYSA-N	-1	0	364.195	3.473	40	0		FGABRM
CC[C@@H](C)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1C(=O)[O-]	ZINC000217578590	206364711	/nfs/dbraw/zinc/36/47/11/206364711.db2.gz	OUXWCZJJHRYDCY-GFCCVEGCSA-N	-1	0	354.472	3.206	40	0		FGABRM
CCCCCNc1ccc(S(=O)(=O)N[C@@H](C)CCC)cc1C(=O)[O-]	ZINC000217661119	206366481	/nfs/dbraw/zinc/36/64/81/206366481.db2.gz	VQVRZHNBVIDBLH-ZDUSSCGKSA-N	-1	0	356.488	3.454	40	0		FGABRM
O=C([O-])C[C@@H](NC(=S)Nc1ncccn1)c1ccc(Cl)cc1Cl	ZINC000225217311	206473713	/nfs/dbraw/zinc/47/37/13/206473713.db2.gz	HYISEPNWTODVGN-LLVKDONJSA-N	-1	0	371.249	3.286	40	0		FGABRM
O=C([O-])Cc1c[nH]c(=S)n(-c2ccc(Oc3ccccc3)cc2)c1=O	ZINC000020156349	263379065	/nfs/dbraw/zinc/37/90/65/263379065.db2.gz	GPRSAQXXFXLXKY-UHFFFAOYSA-N	-1	0	354.387	3.314	40	0		FGABRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(Cl)cc1Cl	ZINC000006472874	493964964	/nfs/dbraw/zinc/96/49/64/493964964.db2.gz	YJQDZKMECBBWIL-WUXMJOGZSA-N	-1	0	365.172	3.248	40	0		FGABRM
CC(=O)Nc1ccc(-c2nc(SCc3cccc(C(=O)[O-])c3)n[nH]2)cc1	ZINC000007605191	494029409	/nfs/dbraw/zinc/02/94/09/494029409.db2.gz	BPGPJKHRJBJIQA-UHFFFAOYSA-N	-1	0	368.418	3.421	40	0		FGABRM
O=C([O-])[C@H]1CS[C@@H](c2cn(-c3ccccc3)nc2-c2cccs2)N1	ZINC000071195260	494089654	/nfs/dbraw/zinc/08/96/54/494089654.db2.gz	UKHOHSZEGIFSEH-CJNGLKHVSA-N	-1	0	357.460	3.389	40	0		FGABRM
Cc1c(Cl)cccc1NC(=O)c1cccc(NC(=O)/C=C\C(=O)[O-])c1	ZINC000038784939	494117463	/nfs/dbraw/zinc/11/74/63/494117463.db2.gz	QVBOWVARFCOLKC-HJWRWDBZSA-N	-1	0	358.781	3.480	40	0		FGABRM
COc1ccc(Cl)cc1NC(=O)c1ccccc1NC(=O)/C=C\C(=O)[O-]	ZINC000038784981	494117465	/nfs/dbraw/zinc/11/74/65/494117465.db2.gz	XPCRVDIGVCKADM-HJWRWDBZSA-N	-1	0	374.780	3.180	40	0		FGABRM
CCCC(=O)Nc1nc(-c2ccc(OC)c(OC)c2)c(CC(=O)[O-])s1	ZINC000085397410	494120349	/nfs/dbraw/zinc/12/03/49/494120349.db2.gz	PEXAVIPLCYTPID-UHFFFAOYSA-N	-1	0	364.423	3.193	40	0		FGABRM
O=C([O-])c1cn([C@@H]2C[C@H]2F)c2c(Br)c(F)c(F)cc2c1=O	ZINC000077863228	494194414	/nfs/dbraw/zinc/19/44/14/494194414.db2.gz	COYAYDQYXRRAPK-HTRCEHHLSA-N	-1	0	362.101	3.023	40	0		FGABRM
Cc1ncsc1C(=O)N1CCCC[C@@H]1c1cc2nc(C)c(C)c(=O)n2[n-]1	ZINC000012161553	494210155	/nfs/dbraw/zinc/21/01/55/494210155.db2.gz	QZMBEWBNBVRUOT-CQSZACIVSA-N	-1	0	371.466	3.184	40	0		FGABRM
Cc1nc(C)c(C(=O)N2CCCC[C@H]2c2cc3nc(C)c(C)c(=O)n3[n-]2)o1	ZINC000012161589	494210599	/nfs/dbraw/zinc/21/05/99/494210599.db2.gz	QSFYXMQUZJBBQA-HNNXBMFYSA-N	-1	0	369.425	3.024	40	0		FGABRM
O=C([O-])[C@@]1(Cc2cc(-c3ccccc3F)no2)CCCN(C(=O)C2CC2)C1	ZINC000012366459	494228086	/nfs/dbraw/zinc/22/80/86/494228086.db2.gz	TZNZWNONALKDNB-HXUWFJFHSA-N	-1	0	372.396	3.127	40	0		FGABRM
CCCOc1cccc(C(=O)NC(=S)Nc2ccc(O)c(C(=O)[O-])c2)c1	ZINC000020152683	494468586	/nfs/dbraw/zinc/46/85/86/494468586.db2.gz	RDBIUUAWMVWKML-UHFFFAOYSA-N	-1	0	374.418	3.006	40	0		FGABRM
CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000020152890	494468951	/nfs/dbraw/zinc/46/89/51/494468951.db2.gz	QUYMIQZYFVLNLF-UHFFFAOYSA-N	-1	0	374.418	3.004	40	0		FGABRM
CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1	ZINC000025246313	494713652	/nfs/dbraw/zinc/71/36/52/494713652.db2.gz	FYELKDHCQQZYII-UHFFFAOYSA-N	-1	0	350.415	3.075	40	0		FGABRM
Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1	ZINC000126879173	494854495	/nfs/dbraw/zinc/85/44/95/494854495.db2.gz	BOYJPAYJDCQKKQ-UHFFFAOYSA-N	-1	0	356.787	3.013	40	0		FGABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c1	ZINC000223324326	497035589	/nfs/dbraw/zinc/03/55/89/497035589.db2.gz	YKHFECWSAREWHK-UHFFFAOYSA-N	-1	0	352.799	3.192	40	0		FGABRM
O=C([O-])[C@H]1[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1	ZINC000252514066	497309437	/nfs/dbraw/zinc/30/94/37/497309437.db2.gz	BBGKUGWNEADOPG-RBSFLKMASA-N	-1	0	354.786	3.120	40	0		FGABRM
CCc1nnc([N-]c2cc([C@H]3CCCN3Cc3ncc[nH]3)nc(C)n2)s1	ZINC000257305654	497401071	/nfs/dbraw/zinc/40/10/71/497401071.db2.gz	SQWWIQBWDRGSEU-CYBMUJFWSA-N	-1	0	370.486	3.003	40	0		FGABRM
Cc1cnc(Nc2nccnc2[C@@H]2CCCN(Cc3nccn3C)C2)s1	ZINC000257334088	497404211	/nfs/dbraw/zinc/40/42/11/497404211.db2.gz	YELPBLNFQVZVEM-CQSZACIVSA-N	-1	0	369.498	3.098	40	0		FGABRM
Cc1cc(Nc2cc(-c3ccccn3)nc(NCC(=O)[O-])n2)ccc1Cl	ZINC000329010075	499013525	/nfs/dbraw/zinc/01/35/25/499013525.db2.gz	LYSYMLIWQGOIJH-UHFFFAOYSA-N	-1	0	369.812	3.162	40	0		FGABRM
O=C([O-])CNc1nc(Nc2ccc(F)c(Cl)c2)cc(-c2ccccc2)n1	ZINC000329024968	499018453	/nfs/dbraw/zinc/01/84/53/499018453.db2.gz	PDXCFXSVNKLEOB-UHFFFAOYSA-N	-1	0	372.787	3.020	40	0		FGABRM
COc1ccc(CNC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1C(=O)[O-]	ZINC000532252286	504586374	/nfs/dbraw/zinc/58/63/74/504586374.db2.gz	HKJJJQXKYLGLCK-VXGBXAGGSA-N	-1	0	359.344	3.378	40	0		FGABRM
CCCCCC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](Cc2nc3cc[nH]cc-3n2)C1	ZINC000514288362	560035215	/nfs/dbraw/zinc/03/52/15/560035215.db2.gz	AZOYDRNSZTYOAJ-GJZGRUSLSA-N	-1	0	372.469	3.020	40	0	biogenic,in-vitro	FGABRM
CCOC(=O)COc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1	ZINC000409112056	570725561	/nfs/dbraw/zinc/72/55/61/570725561.db2.gz	ASCKFYDZWPQUON-UHFFFAOYSA-N	-1	0	363.435	3.046	40	0		FGABRM
CCCc1nc(SC(=Cc2ccc(N(CC)CC)o2)C(=O)[O-])n[nH]1	ZINC000213381129	571307611	/nfs/dbraw/zinc/30/76/11/571307611.db2.gz	MGCZBBDTVSZBND-BENRWUELSA-N	-1	0	350.444	3.414	40	0		FGABRM
COc1ccc2[nH]cc(C[C@H](NC(=O)OCc3ccccc3)C(=O)[O-])c2c1	ZINC000044909832	203782834	/nfs/dbraw/zinc/78/28/34/203782834.db2.gz	RWUUGBCLAUENQX-SFHVURJKSA-N	-1	0	368.389	3.099	40	0		FGABRM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C/c1ccc(F)cc1	ZINC000000955813	203967910	/nfs/dbraw/zinc/96/79/10/203967910.db2.gz	KZVWMLMJQYTQQL-HKMNZKMDSA-N	-1	0	352.365	3.132	40	0		FGABRM
COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OCC(=O)[O-]	ZINC000001628982	204014961	/nfs/dbraw/zinc/01/49/61/204014961.db2.gz	RCPRCGQIDXYANB-AATRIKPKSA-N	-1	0	374.389	3.355	40	0		FGABRM
O=C([O-])c1ccc(NC(=O)COc2ccc(Br)cc2)cc1	ZINC000003109874	204077887	/nfs/dbraw/zinc/07/78/87/204077887.db2.gz	KHWWNNKIXQCPJT-UHFFFAOYSA-N	-1	0	350.168	3.165	40	0		FGABRM
Cc1ccc(NC(=O)CCCC(=O)[O-])c(-c2nc3ccccc3[nH]c2=O)c1	ZINC000004320258	204133226	/nfs/dbraw/zinc/13/32/26/204133226.db2.gz	AYQXIXQKQXBWIQ-UHFFFAOYSA-N	-1	0	365.389	3.092	40	0		FGABRM
CCCc1cc(C(=O)OC)c(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])s1	ZINC000005094752	204192336	/nfs/dbraw/zinc/19/23/36/204192336.db2.gz	FXXQCNHLQWABOO-OAACRXHESA-N	-1	0	365.451	3.173	40	0		FGABRM
COCc1[n-]n2c(nc(-c3ccncc3)cc2=O)c1-c1ccc(OC)cc1	ZINC000019594263	204695977	/nfs/dbraw/zinc/69/59/77/204695977.db2.gz	DDELYDZZDDWZAB-UHFFFAOYSA-N	-1	0	362.389	3.319	40	0		FGABRM
CC/C=C\C[C@@H](O)/C=C/[C@H]1C(=O)C[C@@H](O)[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000043772057	205105304	/nfs/dbraw/zinc/10/53/04/205105304.db2.gz	ANOICLBSJIMQTA-HBUIZNLBSA-N	-1	0	350.455	3.027	40	0	in-vitro	FGABRM
COc1ccc(-c2[n-]n3c(nc(-c4cnc(C)nc4C)cc3=O)c2C)cc1	ZINC000100775725	205947663	/nfs/dbraw/zinc/94/76/63/205947663.db2.gz	QVGUWLBFYBKFMA-UHFFFAOYSA-N	-1	0	361.405	3.493	40	0		FGABRM
Cc1cccc(OCc2nnc(SCC(=O)[O-])n2Cc2ccccc2)c1	ZINC000000916263	206139196	/nfs/dbraw/zinc/13/91/96/206139196.db2.gz	LQNMRPASAKWOJP-UHFFFAOYSA-N	-1	0	369.446	3.391	40	0		FGABRM
COc1ccc(C(=O)[O-])c(OCC(=O)Nc2ccc(OC)c(Cl)c2)c1	ZINC000013084063	206299972	/nfs/dbraw/zinc/29/99/72/206299972.db2.gz	BFYIBGPODRQFEU-UHFFFAOYSA-N	-1	0	365.769	3.073	40	0		FGABRM
C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)C1	ZINC000013340246	206301201	/nfs/dbraw/zinc/30/12/01/206301201.db2.gz	SOXZXFJTSIYJLI-QMMMGPOBSA-N	-1	0	352.239	3.112	40	0		FGABRM
O=C([O-])c1cc(S(=O)(=O)NC2CCCC2)ccc1NC1CCCCC1	ZINC000217575435	206364085	/nfs/dbraw/zinc/36/40/85/206364085.db2.gz	LIJOGPNSPJZOSV-UHFFFAOYSA-N	-1	0	366.483	3.350	40	0		FGABRM
CCC[C@H](C)NS(=O)(=O)c1ccc(NCCC(C)C)c(C(=O)[O-])c1	ZINC000217661401	206366228	/nfs/dbraw/zinc/36/62/28/206366228.db2.gz	NYBVYZXUXRYALD-ZDUSSCGKSA-N	-1	0	356.488	3.310	40	0		FGABRM
CCCCC[C@H](O)/C=C\[C@@H]1[C@@H](CCCCCCC(=O)[O-])C(=O)C[C@@H]1O	ZINC000082027039	493977622	/nfs/dbraw/zinc/97/76/22/493977622.db2.gz	GMVPRGQOIOIIMI-NNFFNURQSA-N	-1	0	354.487	3.475	40	0		FGABRM
CCCc1nc(SC(=Cc2cc3c(cc2Cl)OCO3)C(=O)[O-])n[nH]1	ZINC000007342357	494017036	/nfs/dbraw/zinc/01/70/36/494017036.db2.gz	CCTOUZCEKFQEAC-XGICHPGQSA-N	-1	0	367.814	3.357	40	0		FGABRM
Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)[O-])cc3)CC2=O)cc1Cl	ZINC000007881782	494049334	/nfs/dbraw/zinc/04/93/34/494049334.db2.gz	FGYIZKQFSDCTNJ-ZDUSSCGKSA-N	-1	0	372.808	3.338	40	0		FGABRM
CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000033838893	494063502	/nfs/dbraw/zinc/06/35/02/494063502.db2.gz	DZUXGQBLFALXCR-HBYHEDERSA-N	-1	0	356.503	3.267	40	0	in-vitro	FGABRM
CCCCC[C@@H](O)/C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000038146904	494111294	/nfs/dbraw/zinc/11/12/94/494111294.db2.gz	XEYBRNLFEZDVAW-RWANYTLVSA-N	-1	0	352.471	3.251	40	0		FGABRM
Cc1c(Cl)cccc1-n1nnc(C(=O)[O-])c1CSc1ncccn1	ZINC000085398259	494120564	/nfs/dbraw/zinc/12/05/64/494120564.db2.gz	VSYDGOWUYKBPAA-UHFFFAOYSA-N	-1	0	361.814	3.010	40	0		FGABRM
CC(C)(C)OC(=O)N1C[C@H](Oc2ccc(Cl)c(F)c2)C[C@H]1C(=O)[O-]	ZINC000039954218	494124228	/nfs/dbraw/zinc/12/42/28/494124228.db2.gz	OSDUKJYFAKCXAV-MFKMUULPSA-N	-1	0	359.781	3.321	40	0		FGABRM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C/c1ccc(F)cc1	ZINC000013125273	494279468	/nfs/dbraw/zinc/27/94/68/494279468.db2.gz	KZVWMLMJQYTQQL-RUJXFNLJSA-N	-1	0	352.365	3.132	40	0		FGABRM
O=C([O-])CN(c1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1	ZINC000020061320	494466136	/nfs/dbraw/zinc/46/61/36/494466136.db2.gz	YMBXZNZKVNDJMV-UHFFFAOYSA-N	-1	0	360.218	3.273	40	0		FGABRM
Cc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(Cl)cc2)c(C)c1	ZINC000020061315	494466432	/nfs/dbraw/zinc/46/64/32/494466432.db2.gz	QSTZUFQDRYHBCQ-UHFFFAOYSA-N	-1	0	353.827	3.237	40	0		FGABRM
Cc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])c(O)c2)cc1Cl	ZINC000020152319	494468898	/nfs/dbraw/zinc/46/88/98/494468898.db2.gz	CFEINPOKSCMWDE-UHFFFAOYSA-N	-1	0	364.810	3.179	40	0		FGABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1cccs1	ZINC000020460842	494473836	/nfs/dbraw/zinc/47/38/36/494473836.db2.gz	MKPQLOXKTUSAAD-UHFFFAOYSA-N	-1	0	359.432	3.196	40	0		FGABRM
COC(=O)c1c(C)nc([N-]c2nc(C)c3cc(C)c(C)cc3n2)nc1C	ZINC000020634119	494478052	/nfs/dbraw/zinc/47/80/52/494478052.db2.gz	LXXOCJYQDAFXDS-UHFFFAOYSA-N	-1	0	351.410	3.492	40	0		FGABRM
Cc1nc2sc([C@H](c3ccc(C)cc3)N3C[C@@H](C)O[C@H](C)C3)c([O-])n2n1	ZINC000023156881	494554469	/nfs/dbraw/zinc/55/44/69/494554469.db2.gz	HQVRCELBSBOAGY-IOASZLSFSA-N	-1	0	372.494	3.312	40	0		FGABRM
O=C(NC[C@H]1CC[C@H](c2ccnc(Nc3cnccn3)n2)CC1)C1CCC1	ZINC000100707550	495066041	/nfs/dbraw/zinc/06/60/41/495066041.db2.gz	SQHOYECHEBFKQV-GASCZTMLSA-N	-1	0	366.469	3.200	40	0		FGABRM
CCc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccccc4Cl)c(=O)c2=3)cc1	ZINC000101418575	495068668	/nfs/dbraw/zinc/06/86/68/495068668.db2.gz	NLNJMUKTCZLHSO-DLBZAZTESA-N	-1	0	368.824	3.396	40	0		FGABRM
COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(N2CCCC2)cc1	ZINC000224936296	497053900	/nfs/dbraw/zinc/05/39/00/497053900.db2.gz	SYGKQJJZFDLSHF-UHFFFAOYSA-N	-1	0	350.415	3.235	40	0		FGABRM
CC(C)(C)C(=O)c1cc(C(=O)[O-])c(=O)n(-c2cccc(Cl)c2Cl)n1	ZINC000225968273	497079670	/nfs/dbraw/zinc/07/96/70/497079670.db2.gz	AURCZIBLAOOVOI-UHFFFAOYSA-N	-1	0	369.204	3.466	40	0		FGABRM
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(NC(C)=O)c1	ZINC000244250760	497364306	/nfs/dbraw/zinc/36/43/06/497364306.db2.gz	WGXRKZKDDVYLOE-UHFFFAOYSA-N	-1	0	354.815	3.108	40	0		FGABRM
O=C([O-])c1nn(-c2ccc(F)cc2)nc1N1CC[C@@H](c2ccccc2)C1	ZINC000256045802	497381870	/nfs/dbraw/zinc/38/18/70/497381870.db2.gz	BASQYPFFACMCFE-CQSZACIVSA-N	-1	0	352.369	3.099	40	0		FGABRM
Cc1cc(-c2cncc(C(=O)[O-])c2)nc([C@H]2CCCN2C(=O)C(C)(C)C)n1	ZINC000257200182	497389398	/nfs/dbraw/zinc/38/93/98/497389398.db2.gz	ACHFCGDCQCJTEO-MRXNPFEDSA-N	-1	0	368.437	3.255	40	0		FGABRM
Cc1cc(-c2cncc(C(=O)[O-])c2)nc([C@@H]2CCCN2C(=O)C(C)(C)C)n1	ZINC000257200181	497389422	/nfs/dbraw/zinc/38/94/22/497389422.db2.gz	ACHFCGDCQCJTEO-INIZCTEOSA-N	-1	0	368.437	3.255	40	0		FGABRM
O=C([O-])c1ccccc1-c1ccc(CN2CCO[C@H](c3cnco3)C2)o1	ZINC000257208592	497390627	/nfs/dbraw/zinc/39/06/27/497390627.db2.gz	BMUGZDDVKUYEDE-SFHVURJKSA-N	-1	0	354.362	3.206	40	0		FGABRM
Cc1cncc([C@@H]2CCCN2Cc2cnn(-c3ccccc3C(=O)[O-])c2)n1	ZINC000257213883	497392519	/nfs/dbraw/zinc/39/25/19/497392519.db2.gz	CJNBMPFUUUMDTR-IBGZPJMESA-N	-1	0	363.421	3.006	40	0		FGABRM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(C)=O)c(C)c1	ZINC000408624705	499592997	/nfs/dbraw/zinc/59/29/97/499592997.db2.gz	RFTISXCOEFBARO-UHFFFAOYSA-N	-1	0	368.842	3.416	40	0		FGABRM
CCCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NCc1ccco1	ZINC000217516342	520227483	/nfs/dbraw/zinc/22/74/83/520227483.db2.gz	SPHNYCKJEZOFHC-UHFFFAOYSA-N	-1	0	366.439	3.058	40	0		FGABRM
Cc1ccc(Cl)cc1Nc1cc(-c2ccccc2)nc(NCC(=O)[O-])n1	ZINC000329024913	524737824	/nfs/dbraw/zinc/73/78/24/524737824.db2.gz	PDJVSUHVHUURHH-UHFFFAOYSA-N	-1	0	368.824	3.189	40	0		FGABRM
O=C([O-])Cn1c2ccccc2c2nnc(SCc3ccccc3F)nc21	ZINC000004571144	203810454	/nfs/dbraw/zinc/81/04/54/203810454.db2.gz	GHEWKRUZAFYTPN-UHFFFAOYSA-N	-1	0	368.393	3.496	40	0		FGABRM
C[C@H](CSC(=O)c1ccccc1)C(=O)N1c2ccccc2C[C@@H]1C(=O)[O-]	ZINC000001608467	204014057	/nfs/dbraw/zinc/01/40/57/204014057.db2.gz	YTQUHORAJYMUKY-CXAGYDPISA-N	-1	0	369.442	3.239	40	0		FGABRM
O=C([O-])c1cccc(NC(=O)COc2ccc(Br)cc2)c1	ZINC000006220743	204240838	/nfs/dbraw/zinc/24/08/38/204240838.db2.gz	QCGHECSNQIAFRW-UHFFFAOYSA-N	-1	0	350.168	3.165	40	0		FGABRM
O=C([O-])c1ccc(NC(=S)NC(=O)c2cccc(F)c2)cc1Cl	ZINC000009140226	204355198	/nfs/dbraw/zinc/35/51/98/204355198.db2.gz	WUAMDHYBRMLNQN-UHFFFAOYSA-N	-1	0	352.774	3.304	40	0		FGABRM
COCc1[n-]n2c(nc(-c3cnn(C)c3)cc2=O)c1-c1ccc(Cl)cc1	ZINC000019290741	204674823	/nfs/dbraw/zinc/67/48/23/204674823.db2.gz	VXFSEUOGKWXAMI-UHFFFAOYSA-N	-1	0	369.812	3.302	40	0		FGABRM
CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](CCCCCCC(=O)[O-])[C@@H](O)C[C@@H]1O	ZINC000043772080	205105544	/nfs/dbraw/zinc/10/55/44/205105544.db2.gz	DZUXGQBLFALXCR-RMUGGXORSA-N	-1	0	356.503	3.267	40	0	in-vitro	FGABRM
CCCCC[C@@H](O)CC[C@@H]1[C@@H](CCCCCCC(=O)[O-])[C@@H](O)C[C@@H]1O	ZINC000043772125	205104970	/nfs/dbraw/zinc/10/49/70/205104970.db2.gz	WMHAOJIJVNDMKA-QQXKLLMISA-N	-1	0	358.519	3.491	40	0	in-vitro	FGABRM
O=C1OCC([O-])=C1[C@@H](c1ccc(Cl)cc1)c1cc2c(cc1O)OCO2	ZINC000102950639	205984303	/nfs/dbraw/zinc/98/43/03/205984303.db2.gz	RLIUCWGSAUIPRX-INIZCTEOSA-N	-1	0	360.749	3.275	40	0		FGABRM
Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)cc2)c1C(=O)Nc1ccccc1	ZINC000049003323	206084879	/nfs/dbraw/zinc/08/48/79/206084879.db2.gz	WXQGHYJXOPJGDH-UHFFFAOYSA-N	-1	0	370.434	3.080	40	0		FGABRM
CC/C=C/C[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000150373706	206145493	/nfs/dbraw/zinc/14/54/93/206145493.db2.gz	ANOICLBSJIMQTA-YSUVRJCPSA-N	-1	0	350.455	3.027	40	0	in-vitro	FGABRM
CCn1cnc2cc([N-]S(=O)(=O)c3c(C)nn(C(F)F)c3C)ccc21	ZINC000019578323	263374556	/nfs/dbraw/zinc/37/45/56/263374556.db2.gz	WPBJKBMNKPBQLN-UHFFFAOYSA-N	-1	0	369.397	3.065	40	0		FGABRM
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)[O-])cc2)c1C	ZINC000028911911	493806895	/nfs/dbraw/zinc/80/68/95/493806895.db2.gz	XUQPDHIDZWBVQW-MHWRWJLKSA-N	-1	0	350.374	3.313	40	0		FGABRM
COc1cc(CCc2ccccc2)c(C(=O)[O-])c2c1C[C@H](C(C)(C)O)O2	ZINC000031161960	493928805	/nfs/dbraw/zinc/92/88/05/493928805.db2.gz	XJKIBJFVLHQLKC-QGZVFWFLSA-N	-1	0	356.418	3.253	40	0	biogenic,in-vitro	FGABRM
COc1cc(CCc2ccccc2)c(C(=O)[O-])c2c1C[C@@H](C(C)(C)O)O2	ZINC000031161964	493929344	/nfs/dbraw/zinc/92/93/44/493929344.db2.gz	XJKIBJFVLHQLKC-KRWDZBQOSA-N	-1	0	356.418	3.253	40	0	biogenic,in-vitro	FGABRM
CCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C	ZINC000032032924	493971335	/nfs/dbraw/zinc/97/13/35/493971335.db2.gz	ZRBSVDCSZGUKGN-UHFFFAOYSA-N	-1	0	364.442	3.465	40	0		FGABRM
O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(-c2ccccc2)o1	ZINC000007096665	494000965	/nfs/dbraw/zinc/00/09/65/494000965.db2.gz	AMEBMAIAMODVQQ-LFIBNONCSA-N	-1	0	359.341	3.008	40	0		FGABRM
COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C(C)C)c1	ZINC000007361260	494017965	/nfs/dbraw/zinc/01/79/65/494017965.db2.gz	LAVHVPTXIRNIRM-UHFFFAOYSA-N	-1	0	363.435	3.406	40	0		FGABRM
O=C([O-])c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1	ZINC000007882232	494049361	/nfs/dbraw/zinc/04/93/61/494049361.db2.gz	ZDRGRISSCQCBGR-LBPRGKRZSA-N	-1	0	358.781	3.030	40	0		FGABRM
CC/C=C/C[C@H](O)/C=C\[C@@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000033789777	494063398	/nfs/dbraw/zinc/06/33/98/494063398.db2.gz	CBOMORHDRONZRN-FZDYYAGTSA-N	-1	0	350.455	3.027	40	0		FGABRM
COc1ccc(-n2nc(C(=O)[O-])nc2-c2ccc(Br)cc2)cc1	ZINC000008730808	494101954	/nfs/dbraw/zinc/10/19/54/494101954.db2.gz	WOVDGMWKIVVUOJ-UHFFFAOYSA-N	-1	0	374.194	3.404	40	0		FGABRM
Cc1ccc(Cl)cc1-n1nnc(C(=O)[O-])c1CSc1ncccn1	ZINC000085398227	494120870	/nfs/dbraw/zinc/12/08/70/494120870.db2.gz	JDTYHLBZVVTPLT-UHFFFAOYSA-N	-1	0	361.814	3.010	40	0		FGABRM
Cc1nc([N-]c2nncs2)cc([C@@H]2CCCN2C(=O)c2ccccc2)n1	ZINC000072360189	494158320	/nfs/dbraw/zinc/15/83/20/494158320.db2.gz	KVDCHJWSXVMSFD-HNNXBMFYSA-N	-1	0	366.450	3.357	40	0		FGABRM
COc1cccc(-c2cccc([N-]S(=O)(=O)c3cn(C)nc3C)c2)c1	ZINC000012147752	494209427	/nfs/dbraw/zinc/20/94/27/494209427.db2.gz	UZKWWQWTPXMPBH-UHFFFAOYSA-N	-1	0	357.435	3.205	40	0		FGABRM
CCCc1nn2c([n-]1)nc(C)c(Cc1ccc(Br)cc1)c2=O	ZINC000017074373	494407707	/nfs/dbraw/zinc/40/77/07/494407707.db2.gz	ROWGDJKURLEVJJ-UHFFFAOYSA-N	-1	0	361.243	3.032	40	0		FGABRM
COc1ccc(C(=O)OC(C)C)cc1[N-]S(=O)(=O)c1cccs1	ZINC000223657549	497041052	/nfs/dbraw/zinc/04/10/52/497041052.db2.gz	HCOVWOUFBGPLCI-UHFFFAOYSA-N	-1	0	355.437	3.123	40	0		FGABRM
CCOC(=O)c1c([N-]S(=O)(=O)c2ccc(F)cc2)sc2c1CCC2	ZINC000326244495	498841056	/nfs/dbraw/zinc/84/10/56/498841056.db2.gz	CBKHRVNWACQDLX-UHFFFAOYSA-N	-1	0	369.439	3.353	40	0		FGABRM
CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc4c(n3)CCCC4=O)ccc2O1	ZINC000333396616	498997107	/nfs/dbraw/zinc/99/71/07/498997107.db2.gz	HYOZZBMCMQFSAM-UHFFFAOYSA-N	-1	0	372.446	3.115	40	0		FGABRM
CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2OCC)cc1	ZINC000408559164	499592127	/nfs/dbraw/zinc/59/21/27/499592127.db2.gz	VWBXYZLVYVBLEV-UHFFFAOYSA-N	-1	0	364.423	3.455	40	0		FGABRM
CCCn1nnc(=NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)[n-]1	ZINC000408629014	499593406	/nfs/dbraw/zinc/59/34/06/499593406.db2.gz	HXVAJCPRZBIVKN-UHFFFAOYSA-N	-1	0	366.208	3.324	40	0		FGABRM
CCC[C@@H](C)NS(=O)(=O)c1ccc(NCc2ccco2)c(C(=O)[O-])c1	ZINC000217659550	520667064	/nfs/dbraw/zinc/66/70/64/520667064.db2.gz	WATVTFMIAXNBTH-GFCCVEGCSA-N	-1	0	366.439	3.057	40	0		FGABRM
O=C([O-])c1cc(Br)ccc1OCC(=O)Nc1ccccc1F	ZINC000217718141	571202351	/nfs/dbraw/zinc/20/23/51/571202351.db2.gz	SJVRNHMFDYIAIU-UHFFFAOYSA-N	-1	0	368.158	3.304	40	0		FGABRM
O=S(=O)([N-]c1cccc2c[nH]nc21)c1ccc(OC(F)(F)F)cc1	ZINC000001440662	204006805	/nfs/dbraw/zinc/00/68/05/204006805.db2.gz	WNPQZIOZHLHALX-UHFFFAOYSA-N	-1	0	357.313	3.262	40	0		FGABRM
Nc1c2cc3c(nc2sc1C(=O)Nc1cccc(C(=O)[O-])c1)CCC3	ZINC000002603025	204045360	/nfs/dbraw/zinc/04/53/60/204045360.db2.gz	PVSTVNJTZSUJNJ-UHFFFAOYSA-N	-1	0	353.403	3.318	40	0		FGABRM
O=C([O-])C1CC[NH+](Cc2c(-c3ccc(F)cc3)nc3ccccn32)CC1	ZINC000002599733	204045435	/nfs/dbraw/zinc/04/54/35/204045435.db2.gz	GYMOYBLUHVJMPK-UHFFFAOYSA-N	-1	0	353.397	3.437	40	0		FGABRM
CC/C=C\C[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000004654922	204151531	/nfs/dbraw/zinc/15/15/31/204151531.db2.gz	ANOICLBSJIMQTA-WXGBOJPQSA-N	-1	0	350.455	3.027	40	0	endogenous,in-man	FGABRM
CCc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccccc4Cl)c(=O)c2=3)cc1	ZINC000006770889	204268199	/nfs/dbraw/zinc/26/81/99/204268199.db2.gz	NLNJMUKTCZLHSO-IAGOWNOFSA-N	-1	0	368.824	3.396	40	0		FGABRM
CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](C/C=C/CCCC(=O)[O-])[C@@H](O)C[C@@H]1O	ZINC000043772212	205106181	/nfs/dbraw/zinc/10/61/81/205106181.db2.gz	PXGPLTODNUVGFL-AAHGHVGUSA-N	-1	0	354.487	3.043	40	0	in-vitro	FGABRM
COc1cc(-c2nc3cc(C(=O)[O-])ccc3[nH]2)cc(Br)c1O	ZINC000048877092	205165352	/nfs/dbraw/zinc/16/53/52/205165352.db2.gz	GARSVNOMPLZSSJ-UHFFFAOYSA-N	-1	0	363.167	3.405	40	0		FGABRM
CSc1ccccc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000008105998	206245687	/nfs/dbraw/zinc/24/56/87/206245687.db2.gz	JYIIYWHXXOEPMO-UHFFFAOYSA-N	-1	0	351.449	3.227	40	0		FGABRM
CC1CCN(S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)CC1	ZINC000003902400	206235747	/nfs/dbraw/zinc/23/57/47/206235747.db2.gz	ZTUVSJQWPWPBBQ-UHFFFAOYSA-N	-1	0	352.239	3.112	40	0		FGABRM
O=C([O-])c1cc(Cl)ccc1NC(=S)NC(=O)/C=C/c1ccco1	ZINC000005997338	206240294	/nfs/dbraw/zinc/24/02/94/206240294.db2.gz	CABQJXBZIMDTEJ-GQCTYLIASA-N	-1	0	350.783	3.158	40	0		FGABRM
CC(C)c1ccc(OCC(=O)NC(=S)Nc2cccc(C(=O)[O-])c2)cc1	ZINC000005848726	206240547	/nfs/dbraw/zinc/24/05/47/206240547.db2.gz	QXMUWOARUBJNGT-UHFFFAOYSA-N	-1	0	372.446	3.400	40	0		FGABRM
Cc1nn(CC(=O)[O-])c(C)c1[C@H]1CCCCCN1C(=O)OC(C)(C)C	ZINC000217459817	206361885	/nfs/dbraw/zinc/36/18/85/206361885.db2.gz	HYUMZARXHXZTFT-CQSZACIVSA-N	-1	0	351.447	3.437	40	0		FGABRM
CC(C)CNc1ccc(C(=O)[O-])cc1S(=O)(=O)NC1CCCCC1	ZINC000217446893	206362279	/nfs/dbraw/zinc/36/22/79/206362279.db2.gz	GMXMKWVTOBMWPV-UHFFFAOYSA-N	-1	0	354.472	3.064	40	0		FGABRM
CC(C)(C)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)[O-]	ZINC000217604050	206363642	/nfs/dbraw/zinc/36/36/42/206363642.db2.gz	JZEPZDLTZGOGQT-UHFFFAOYSA-N	-1	0	362.451	3.074	40	0		FGABRM
CC(C)CNc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(=O)[O-]	ZINC000217581952	206364888	/nfs/dbraw/zinc/36/48/88/206364888.db2.gz	OFRQNYYFVQOIKY-UHFFFAOYSA-N	-1	0	368.499	3.454	40	0		FGABRM
COc1cc(C(=O)[O-])cc(OC)c1OCC(=O)Nc1cc(C)cc(C)c1	ZINC000217731726	206366556	/nfs/dbraw/zinc/36/65/56/206366556.db2.gz	QFDSLDMYKJPTIH-UHFFFAOYSA-N	-1	0	359.378	3.036	40	0		FGABRM
CC(C)(C)C(=O)N1CC[C@@H](Cc2cccc(-c3cncc(C(=O)[O-])c3)n2)C1	ZINC000257217650	206601698	/nfs/dbraw/zinc/60/16/98/206601698.db2.gz	CZYAJQARKBJRKO-AWEZNQCLSA-N	-1	0	367.449	3.279	40	0		FGABRM
COc1ccc(-n2[n-]c3[nH]c(-c4ccc(Cl)cc4)cc(=O)c3c2=O)cc1	ZINC000017075518	263372351	/nfs/dbraw/zinc/37/23/51/263372351.db2.gz	CUJWNATVHVEEEG-UHFFFAOYSA-N	-1	0	367.792	3.336	40	0		FGABRM
CCc1nnc(S/C(=C\c2cc(Br)ccc2O)C(=O)[O-])o1	ZINC000007342647	494016753	/nfs/dbraw/zinc/01/67/53/494016753.db2.gz	WXQNQWIIXFZYED-POHAHGRESA-N	-1	0	371.212	3.318	40	0		FGABRM
COc1cc(/C=C/C(=O)N[C@@H](C(=O)[O-])C(C)C)ccc1OCCC(C)C	ZINC000062714866	494021617	/nfs/dbraw/zinc/02/16/17/494021617.db2.gz	SIDJGDMWPBOMKT-QRBZPYHOSA-N	-1	0	363.454	3.359	40	0		FGABRM
CCc1ccc(-c2nc3ccc(N4C[C@@H](C(=O)[O-])CC4=O)cc3o2)cc1	ZINC000070461293	494044648	/nfs/dbraw/zinc/04/46/48/494044648.db2.gz	DKGUKPXFGAZTHM-AWEZNQCLSA-N	-1	0	350.374	3.495	40	0		FGABRM
Fc1ccc(CN2CCC[C@H]2c2ccnc([N-]c3ncccn3)n2)cc1	ZINC000072377412	494159167	/nfs/dbraw/zinc/15/91/67/494159167.db2.gz	BABYTQMGBZXKMG-KRWDZBQOSA-N	-1	0	350.401	3.486	40	0		FGABRM
O=C(CCc1ccccc1)N1CCC[C@H]1c1ccnc([N-]c2ncccn2)n1	ZINC000072377693	494159997	/nfs/dbraw/zinc/15/99/97/494159997.db2.gz	LJLYMKVWMOXXKI-SFHVURJKSA-N	-1	0	374.448	3.307	40	0		FGABRM
Cc1ncsc1C(=O)N1CCCC[C@H]1c1cc2nc(C)c(C)c(=O)n2[n-]1	ZINC000012161558	494210578	/nfs/dbraw/zinc/21/05/78/494210578.db2.gz	QZMBEWBNBVRUOT-AWEZNQCLSA-N	-1	0	371.466	3.184	40	0		FGABRM
CCCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])c(O)c2)cc1	ZINC000020152831	494468267	/nfs/dbraw/zinc/46/82/67/494468267.db2.gz	NDMRHTDJPJNOFU-UHFFFAOYSA-N	-1	0	374.418	3.006	40	0		FGABRM
Cc1ccc(C(=O)NC(=S)Nc2ccc(O)c(C(=O)[O-])c2)cc1Cl	ZINC000020152321	494468870	/nfs/dbraw/zinc/46/88/70/494468870.db2.gz	NJCYKGKRWQJQLJ-UHFFFAOYSA-N	-1	0	364.810	3.179	40	0		FGABRM
CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000223998321	497045194	/nfs/dbraw/zinc/04/51/94/497045194.db2.gz	HHMRGMRZKVEJDI-UHFFFAOYSA-N	-1	0	352.481	3.467	40	0		FGABRM
COc1ccccc1[N-]S(=O)(=O)c1ccc(SC)c(NC(C)=O)c1	ZINC000224808679	497053307	/nfs/dbraw/zinc/05/33/07/497053307.db2.gz	LTTZYOBGHLEQFY-UHFFFAOYSA-N	-1	0	366.464	3.176	40	0		FGABRM
COc1ccccc1N(CC(=O)[O-])S(=O)(=O)c1ccc2ccccc2c1	ZINC000225051518	497056143	/nfs/dbraw/zinc/05/61/43/497056143.db2.gz	UKSWQOLXBBTGGW-UHFFFAOYSA-N	-1	0	371.414	3.128	40	0		FGABRM
CC1=[N+](c2ccc(C(=O)[O-])cc2)c2ccc(S(=O)(=O)[O-])cc2C1(C)C	ZINC000230490398	497104657	/nfs/dbraw/zinc/10/46/57/497104657.db2.gz	DTUPVUZDHPEXNF-UHFFFAOYSA-O	-1	0	360.411	3.218	40	0		FGABRM
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]2c2cccc(Cl)c2)cc1	ZINC000242701733	497355835	/nfs/dbraw/zinc/35/58/35/497355835.db2.gz	WNJINEPEOLFLIC-PMPSAXMXSA-N	-1	0	350.823	3.289	40	0		FGABRM
O=C([O-])[C@H]1CN[C@@H](c2ccc(-c3ccc(Br)cc3)o2)S1	ZINC000408978213	499595594	/nfs/dbraw/zinc/59/55/94/499595594.db2.gz	LINCPJSYKSWJSV-CHWSQXEVSA-N	-1	0	354.225	3.497	40	0		FGABRM
O=C([O-])c1cnc(N2CCc3ccccc3C2)nc1Cc1ccc(F)cc1	ZINC000585265591	507581954	/nfs/dbraw/zinc/58/19/54/507581954.db2.gz	OTKJISHRHPAZQP-UHFFFAOYSA-N	-1	0	363.392	3.467	40	0		FGABRM
CC(C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1NCCC1=CCCCC1	ZINC000217416478	519732938	/nfs/dbraw/zinc/73/29/38/519732938.db2.gz	SSBOOSCPLTVDPA-UHFFFAOYSA-N	-1	0	366.483	3.374	40	0		FGABRM
COc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1Cl	ZINC000409130965	568358418	/nfs/dbraw/zinc/35/84/18/568358418.db2.gz	OPUFOOUYSNHRST-RUDMXATFSA-N	-1	0	362.190	3.123	40	0		FGABRM
CCCCC[C@H](O)/C=C/C=C/C=C/C=C\[C@@H](O)[C@@H](O)CCCC(=O)[O-]	ZINC000299888421	203777644	/nfs/dbraw/zinc/77/76/44/203777644.db2.gz	IXAQOQZEOGMIQS-VEMSUFOLSA-N	-1	0	352.471	3.129	40	0		FGABRM
O=C([N-]n1c(=O)c2ccccc2nc1C1CCC1)c1c(F)cccc1F	ZINC000001365019	204000416	/nfs/dbraw/zinc/00/04/16/204000416.db2.gz	KINHYZKAXJJJLT-UHFFFAOYSA-N	-1	0	355.344	3.326	40	0		FGABRM
O=C([O-])c1cc(Cl)cc(I)c1Br	ZINC000001732280	204018570	/nfs/dbraw/zinc/01/85/70/204018570.db2.gz	HCNIYHWHWCIJLY-UHFFFAOYSA-N	-1	0	361.360	3.405	40	0		FGABRM
COc1cccc(OC)c1NC(=O)[C@H](CC(=O)[O-])Cc1ccc(C)cc1	ZINC000005600240	204216857	/nfs/dbraw/zinc/21/68/57/204216857.db2.gz	QPJURTSCIJLXOR-HNNXBMFYSA-N	-1	0	357.406	3.284	40	0		FGABRM
CC/C=C/C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000005761919	204224864	/nfs/dbraw/zinc/22/48/64/204224864.db2.gz	CBOMORHDRONZRN-YYFRSVFISA-N	-1	0	350.455	3.027	40	0	in-vitro	FGABRM
COC(=O)c1ccsc1NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2=C(C)C)[C@@H]1C(=O)[O-]	ZINC000006363168	204245907	/nfs/dbraw/zinc/24/59/07/204245907.db2.gz	AESCBCIBMTZBCE-QOBDMFJFSA-N	-1	0	363.435	3.166	40	0		FGABRM
Nc1cc(C(=O)[O-])ccc1Nc1ccc(I)cc1	ZINC000037930768	205035479	/nfs/dbraw/zinc/03/54/79/205035479.db2.gz	TWTSRAJPNYGQQE-UHFFFAOYSA-N	-1	0	354.147	3.315	40	0		FGABRM
O=c1c([C@H](O)c2ccc(F)cc2)c(C(F)(F)F)[n-]n1-c1ccccc1	ZINC000101460207	205961025	/nfs/dbraw/zinc/96/10/25/205961025.db2.gz	LJBVEUYYLADQPN-UONOGXRCSA-N	-1	0	352.287	3.440	40	0		FGABRM
COc1ccc(NC(=O)COc2ccc(C(=O)[O-])cc2OC)cc1Cl	ZINC000013419534	206303770	/nfs/dbraw/zinc/30/37/70/206303770.db2.gz	WXYCEMJEMFYQPL-UHFFFAOYSA-N	-1	0	365.769	3.073	40	0		FGABRM
O=C([O-])[C@@H]1[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218551516	206371776	/nfs/dbraw/zinc/37/17/76/206371776.db2.gz	BBGKUGWNEADOPG-KFWWJZLASA-N	-1	0	354.786	3.120	40	0		FGABRM
COc1cc(C(=O)n2cc(C(=O)[O-])c3ccccc32)cc(OC)c1OC	ZINC000216958929	206361305	/nfs/dbraw/zinc/36/13/05/206361305.db2.gz	WDZKYCREDCXURR-UHFFFAOYSA-N	-1	0	355.346	3.054	40	0		FGABRM
CC(C)CCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCC(C)C	ZINC000217521041	206364012	/nfs/dbraw/zinc/36/40/12/206364012.db2.gz	WVUGPNMOHAUIDU-UHFFFAOYSA-N	-1	0	356.488	3.167	40	0		FGABRM
CSc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cccc(C)c2C)cc1	ZINC000224981083	206466631	/nfs/dbraw/zinc/46/66/31/206466631.db2.gz	MCARXRMRARURQO-UHFFFAOYSA-N	-1	0	365.476	3.305	40	0		FGABRM
CC(=O)OC1=C(c2ccccc2)[C@H](c2ccccc2)C[C@H]1OS(=O)(=O)[O-]	ZINC000001718654	493797584	/nfs/dbraw/zinc/79/75/84/493797584.db2.gz	KNVCUBUQYJGRIN-DLBZAZTESA-N	-1	0	374.414	3.336	40	0		FGABRM
Cc1nc(SCC(=O)Nc2cccc(C(=O)[O-])c2)c(C#N)c(C)c1C	ZINC000004123769	493866589	/nfs/dbraw/zinc/86/65/89/493866589.db2.gz	XCDMVVTWHHYHBQ-UHFFFAOYSA-N	-1	0	355.419	3.308	40	0		FGABRM
CCCCC[C@H](O)/C=C\[C@H]1[C@H](O)C[C@H](O)[C@H]1C/C=C/CCCC(=O)[O-]	ZINC000031372742	493940153	/nfs/dbraw/zinc/94/01/53/493940153.db2.gz	PXGPLTODNUVGFL-OGIUYSEQSA-N	-1	0	354.487	3.043	40	0		FGABRM
COc1cc(/C=C/C(=O)N[C@H](C(=O)[O-])C(C)C)ccc1OCCC(C)C	ZINC000062714864	494021328	/nfs/dbraw/zinc/02/13/28/494021328.db2.gz	SIDJGDMWPBOMKT-XSBJJCPUSA-N	-1	0	363.454	3.359	40	0		FGABRM
O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1cccn1-c1ccccc1F	ZINC000007495305	494025495	/nfs/dbraw/zinc/02/54/95/494025495.db2.gz	UJVZVJOZXQUPRT-NTCAYCPXSA-N	-1	0	367.380	3.021	40	0		FGABRM
CCc1cccc2c(/C=C3/C(=O)[N-]C(=O)N(C4CCCC4)C3=O)c[nH]c21	ZINC000008088011	494066481	/nfs/dbraw/zinc/06/64/81/494066481.db2.gz	PXBZXCXYUDUFHH-YBEGLDIGSA-N	-1	0	351.406	3.135	40	0		FGABRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)Nc1ccccc1Oc1ccccc1	ZINC000035889637	494082368	/nfs/dbraw/zinc/08/23/68/494082368.db2.gz	YSXLXGLMMQLIBQ-XDNAFOTISA-N	-1	0	353.374	3.296	40	0		FGABRM
CCO[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000040433984	494142791	/nfs/dbraw/zinc/14/27/91/494142791.db2.gz	CUBBXMGQJYSGLW-BFUOFWGJSA-N	-1	0	369.417	3.403	40	0		FGABRM
Fc1ccc(CN2CCC[C@@H]2c2ccnc([N-]c3ncccn3)n2)cc1	ZINC000072377413	494159980	/nfs/dbraw/zinc/15/99/80/494159980.db2.gz	BABYTQMGBZXKMG-QGZVFWFLSA-N	-1	0	350.401	3.486	40	0		FGABRM
CCn1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)ccc2OC)cn1	ZINC000012117094	494205999	/nfs/dbraw/zinc/20/59/99/494205999.db2.gz	BODVGJWIWBVUMG-UHFFFAOYSA-N	-1	0	357.435	3.379	40	0		FGABRM
CC(C)C(=O)N1CCC[C@@](Cc2cc(-c3ccccc3F)no2)(C(=O)[O-])C1	ZINC000012220012	494214559	/nfs/dbraw/zinc/21/45/59/494214559.db2.gz	ZWOZEMGGEFTLSP-FQEVSTJZSA-N	-1	0	374.412	3.373	40	0		FGABRM
O=C([O-])Cc1csc(NC(=O)/C=C/c2cccc(Br)c2)n1	ZINC000013406500	494287609	/nfs/dbraw/zinc/28/76/09/494287609.db2.gz	YUJMXFLWZFXSPZ-SNAWJCMRSA-N	-1	0	367.224	3.185	40	0		FGABRM
CCCCC[C@@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000013521609	494288624	/nfs/dbraw/zinc/28/86/24/494288624.db2.gz	BHMBVRSPMRCCGG-DFVNJMEGSA-N	-1	0	352.471	3.251	40	0	in-vitro	FGABRM
CCCOc1cccc(C(=O)NC(=S)Nc2ccc(CC(=O)[O-])cc2)c1	ZINC000020152679	494468997	/nfs/dbraw/zinc/46/89/97/494468997.db2.gz	JLULGVYRIYBZTJ-UHFFFAOYSA-N	-1	0	372.446	3.229	40	0		FGABRM
O=C([O-])[C@H]1CC(=O)N(Cc2ccc(-c3nc4ccccc4s3)cc2)C1	ZINC000045886886	494473168	/nfs/dbraw/zinc/47/31/68/494473168.db2.gz	BTBPNMXVAKZKSD-AWEZNQCLSA-N	-1	0	352.415	3.396	40	0		FGABRM
COc1ccc(C([O-])=CC(=O)C(=O)Nc2ccccc2C(F)(F)F)cc1	ZINC000101354833	495068009	/nfs/dbraw/zinc/06/80/09/495068009.db2.gz	ATBQPUBHPVAWLU-UHFFFAOYSA-N	-1	0	365.307	3.495	40	0		FGABRM
C/C(=C\C(=O)Nc1ccc(SCC(=O)Nc2ccccc2)cc1)C(=O)[O-]	ZINC000211519782	496976341	/nfs/dbraw/zinc/97/63/41/496976341.db2.gz	FYYNDQRVMFXVMC-ACCUITESSA-N	-1	0	370.430	3.387	40	0		FGABRM
CCc1ccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1	ZINC000223324794	497035713	/nfs/dbraw/zinc/03/57/13/497035713.db2.gz	WRRHSTCHBYONHU-UHFFFAOYSA-N	-1	0	352.799	3.138	40	0		FGABRM
CC(C)c1ccc(C[C@H](C(=O)[O-])N(C)S(=O)(=O)c2ccccc2)cc1	ZINC000225157445	497057064	/nfs/dbraw/zinc/05/70/64/497057064.db2.gz	IYTQYIBRFIYMGZ-GOSISDBHSA-N	-1	0	361.463	3.126	40	0		FGABRM
CC(C)c1ccc(C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c2ccccc2)cc1	ZINC000225157406	497057430	/nfs/dbraw/zinc/05/74/30/497057430.db2.gz	IYTQYIBRFIYMGZ-SFHVURJKSA-N	-1	0	361.463	3.126	40	0		FGABRM
Cc1cncc([C@H]2CCCN2Cc2cnn(-c3ccccc3C(=O)[O-])c2)n1	ZINC000257213884	497392176	/nfs/dbraw/zinc/39/21/76/497392176.db2.gz	CJNBMPFUUUMDTR-LJQANCHMSA-N	-1	0	363.421	3.006	40	0		FGABRM
CCOc1ccc(S(=O)(=O)Nc2ccccc2F)cc1NC(=O)CC	ZINC000408696398	499593837	/nfs/dbraw/zinc/59/38/37/499593837.db2.gz	AZGLIHUDZYSQKM-UHFFFAOYSA-N	-1	0	366.414	3.374	40	0		FGABRM
CCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1N[C@H](C)c1ccccc1	ZINC000217413662	519980237	/nfs/dbraw/zinc/98/02/37/519980237.db2.gz	YURYWLKORAAYLF-CYBMUJFWSA-N	-1	0	362.451	3.246	40	0		FGABRM
CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3cccc(F)c3)c(Cl)cc21	ZINC000223362469	568645624	/nfs/dbraw/zinc/64/56/24/568645624.db2.gz	SHTRVHHSNDNRNO-UHFFFAOYSA-N	-1	0	370.789	3.208	40	0		FGABRM
O=C([O-])CN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2)C1=O	ZINC000409126181	570729814	/nfs/dbraw/zinc/72/98/14/570729814.db2.gz	NFEJCLLFDFDUFR-MHWRWJLKSA-N	-1	0	369.398	3.387	40	0		FGABRM
CCc1cccc(C)c1NC(=O)CC1=S([O-])c2ccccc2NC1=O	ZINC000005811858	204225813	/nfs/dbraw/zinc/22/58/13/204225813.db2.gz	XVSVWVOBVSNXAB-CPJLOUKISA-N	-1	0	356.447	3.015	40	0		FGABRM
Cc1cc([N-]S(=O)(=O)c2ccc(C)cc2)n(-c2nc3ccccc3[nH]2)n1	ZINC000006181555	204239837	/nfs/dbraw/zinc/23/98/37/204239837.db2.gz	DDMJUDKHPCKFDV-UHFFFAOYSA-N	-1	0	367.434	3.166	40	0		FGABRM
C[C@@H](CSC(=O)c1ccccc1)C(=O)N1c2ccccc2C[C@@H]1C(=O)[O-]	ZINC000008652533	204338077	/nfs/dbraw/zinc/33/80/77/204338077.db2.gz	YTQUHORAJYMUKY-SUMWQHHRSA-N	-1	0	369.442	3.239	40	0		FGABRM
CCCCC[C@@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000027645775	204867117	/nfs/dbraw/zinc/86/71/17/204867117.db2.gz	XEYBRNLFEZDVAW-GBFIWHBNSA-N	-1	0	352.471	3.251	40	0	in-vitro	FGABRM
COC(=O)c1ccc(CS(=O)(=O)[N-]c2cc(Cl)ccc2OC)cc1	ZINC000044848854	205113700	/nfs/dbraw/zinc/11/37/00/205113700.db2.gz	KVUMVDWIRVFEEN-UHFFFAOYSA-N	-1	0	369.826	3.077	40	0		FGABRM
CCCCC/C=C\C[C@@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/[C@H](O)CCCC(=O)[O-]	ZINC000045789057	205125020	/nfs/dbraw/zinc/12/50/20/205125020.db2.gz	RZCPXIZGLPAGEV-DDEBSAQFSA-N	-1	0	354.487	3.043	40	0	in-vitro	FGABRM
CC1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)Cc1ccc(Cl)cc1	ZINC000071979940	205458975	/nfs/dbraw/zinc/45/89/75/205458975.db2.gz	PCCJQFDNHZMZIC-KVIBHRHWSA-N	-1	0	351.830	3.101	40	0		FGABRM
CCOC(=O)C1=NN(c2ccc(Oc3ccccc3)cc2)[C@H](C(=O)[O-])C1	ZINC000071979371	205459275	/nfs/dbraw/zinc/45/92/75/205459275.db2.gz	XTZVIPSNMRKTNQ-KRWDZBQOSA-N	-1	0	354.362	3.061	40	0		FGABRM
CCc1[n-]n2c(nc(CCc3cc(OC)no3)cc2=O)c1-c1ccccc1	ZINC000100776441	205947912	/nfs/dbraw/zinc/94/79/12/205947912.db2.gz	ZGMYMEMGJVSCPM-UHFFFAOYSA-N	-1	0	364.405	3.446	40	0		FGABRM
CC(C)CC1C(=O)N=C(SCCOc2ccc(Cl)cc2)N=C1[O-]	ZINC000013453825	206302775	/nfs/dbraw/zinc/30/27/75/206302775.db2.gz	XKCYDNKLNCEQJN-UHFFFAOYSA-N	-1	0	354.859	3.499	40	0		FGABRM
CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000020151637	206333540	/nfs/dbraw/zinc/33/35/40/206333540.db2.gz	PKMJKYAOKLGIJG-UHFFFAOYSA-N	-1	0	358.419	3.341	40	0		FGABRM
COc1cccc([C@@H](CC(=O)[O-])NC(=O)OCc2ccccc2)c1OC	ZINC000038580571	206337297	/nfs/dbraw/zinc/33/72/97/206337297.db2.gz	DEIRTDUTJYZIRL-OAHLLOKOSA-N	-1	0	359.378	3.146	40	0		FGABRM
CC(C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)NC1CCCCCC1	ZINC000217450083	206361833	/nfs/dbraw/zinc/36/18/33/206361833.db2.gz	WMTJVBZTMLVSCO-UHFFFAOYSA-N	-1	0	354.472	3.206	40	0		FGABRM
CCC[C@H](C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)CCC	ZINC000217527868	206363609	/nfs/dbraw/zinc/36/36/09/206363609.db2.gz	BCOHTTAQJCIMTE-STQMWFEESA-N	-1	0	356.488	3.452	40	0		FGABRM
CC(C)CCNc1ccc(S(=O)(=O)NC2CCCCC2)cc1C(=O)[O-]	ZINC000217581234	206364665	/nfs/dbraw/zinc/36/46/65/206364665.db2.gz	GHHJQBRKTWVOAS-UHFFFAOYSA-N	-1	0	368.499	3.454	40	0		FGABRM
Cc1ccc(C2(C(=O)Nc3ccc(OCC(=O)[O-])cc3)CCOCC2)cc1	ZINC000225568732	206487095	/nfs/dbraw/zinc/48/70/95/206487095.db2.gz	NKYZQQOZEGXUJW-UHFFFAOYSA-N	-1	0	369.417	3.145	40	0		FGABRM
CCO[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000002510615	493809847	/nfs/dbraw/zinc/80/98/47/493809847.db2.gz	CUBBXMGQJYSGLW-YJYMSZOUSA-N	-1	0	369.417	3.403	40	0		FGABRM
COc1cc(/C=C2/NC(=O)[N-]C2=O)ccc1OCc1ccccc1Cl	ZINC000059144750	493902754	/nfs/dbraw/zinc/90/27/54/493902754.db2.gz	BLRNZNGREVEGRF-RIYZIHGNSA-N	-1	0	358.781	3.108	40	0		FGABRM
COc1ccc(/C=C(\Sc2nnc(C)o2)C(=O)[O-])cc1Br	ZINC000007603642	494029296	/nfs/dbraw/zinc/02/92/96/494029296.db2.gz	XQIMEQUXIPHMMX-WDZFZDKYSA-N	-1	0	371.212	3.367	40	0		FGABRM
O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1	ZINC000007495216	494026027	/nfs/dbraw/zinc/02/60/27/494026027.db2.gz	YDIXKSFBYFEXML-NBVRZTHBSA-N	-1	0	367.449	3.081	40	0		FGABRM
COCCN1C(=O)S/C(=C\c2ccc(-c3ccccc3C(=O)[O-])o2)C1=O	ZINC000008104395	494067765	/nfs/dbraw/zinc/06/77/65/494067765.db2.gz	FTURDWXVGSOQOG-GDNBJRDFSA-N	-1	0	373.386	3.328	40	0		FGABRM
Cc1c2c(nn1CC(F)F)nc(N1CCC(CC(=O)[O-])CC1)cc2C	ZINC000012398942	494230286	/nfs/dbraw/zinc/23/02/86/494230286.db2.gz	JVQQBLCHMJWBCH-UHFFFAOYSA-N	-1	0	352.385	3.004	40	0		FGABRM
O=C([O-])c1cccc(NC(=O)c2ccc(I)cc2)c1	ZINC000013094476	494278382	/nfs/dbraw/zinc/27/83/82/494278382.db2.gz	NRZYNCMDPNVCRS-UHFFFAOYSA-N	-1	0	367.142	3.242	40	0		FGABRM
CCOc1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)ccc1OCC(=O)[O-]	ZINC000055493054	494352183	/nfs/dbraw/zinc/35/21/83/494352183.db2.gz	UPVWNGPLJDPEHP-UHFFFAOYSA-N	-1	0	374.418	3.131	40	0		FGABRM
CCn1cc(-c2cc(=O)n3[n-]c(COC)c(-c4ccc(C)cc4)c3n2)cn1	ZINC000019525118	494447134	/nfs/dbraw/zinc/44/71/34/494447134.db2.gz	IFLMSPBMDOLUNY-UHFFFAOYSA-N	-1	0	363.421	3.440	40	0		FGABRM
O=C([O-])CN(Cc1ccc(F)cc1)C(=O)c1ccc(Br)cc1	ZINC000225318392	497060808	/nfs/dbraw/zinc/06/08/08/497060808.db2.gz	NFMOEFVTJMGYLG-UHFFFAOYSA-N	-1	0	366.186	3.315	40	0		FGABRM
Cc1nccc([C@H]2CCCN2Cc2cnn(-c3ccccc3C(=O)[O-])c2)n1	ZINC000257324615	497404057	/nfs/dbraw/zinc/40/40/57/497404057.db2.gz	WPLVIUYTYVECTL-LJQANCHMSA-N	-1	0	363.421	3.006	40	0		FGABRM
O=C([O-])c1cccc(COc2ccc(C=C3SC(=O)NC3=O)cc2)c1	ZINC000408791193	499594820	/nfs/dbraw/zinc/59/48/20/499594820.db2.gz	WGYSEUXEXUHFKA-OQLLNIDSSA-N	-1	0	355.371	3.288	40	0		FGABRM
Cc1cc(C)c([C@H](C)NC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1C	ZINC000223426030	568653493	/nfs/dbraw/zinc/65/34/93/568653493.db2.gz	WLPQQCQXEFWREI-HNNXBMFYSA-N	-1	0	360.479	3.474	40	0		FGABRM
COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c1	ZINC000223428672	568653712	/nfs/dbraw/zinc/65/37/12/568653712.db2.gz	VKJUCKQXKCQGAR-UHFFFAOYSA-N	-1	0	357.790	3.375	40	0		FGABRM
COc1ccc(C(=O)[C@@H](C)[C@@H](C)OC(=O)c2ccccc2C(=O)[O-])cc1	ZINC000001700411	204017367	/nfs/dbraw/zinc/01/73/67/204017367.db2.gz	SHIFCBQBXCFKMB-QWHCGFSZSA-N	-1	0	356.374	3.458	40	0		FGABRM
Cc1cc(C(F)(F)F)nc(NN=c2nc(C)cc(C(F)(F)F)[n-]2)n1	ZINC000001852077	204020730	/nfs/dbraw/zinc/02/07/30/204020730.db2.gz	GCAKPFQFPZFOMG-UHFFFAOYSA-N	-1	0	352.242	3.360	40	0		FGABRM
CCCCC[C@](C)(O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000003830381	204111900	/nfs/dbraw/zinc/11/19/00/204111900.db2.gz	DLJKPYFALUEJCK-MRVZPHNRSA-N	-1	0	368.514	3.433	40	0	world	FGABRM
O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000004809288	204164834	/nfs/dbraw/zinc/16/48/34/204164834.db2.gz	PCCACAYWZLOSDS-KHYOSLBOSA-N	-1	0	370.474	3.406	40	0		FGABRM
O=C([O-])CCc1cc2c(c(Br)c1Br)OCC2	ZINC000022005743	204766260	/nfs/dbraw/zinc/76/62/60/204766260.db2.gz	FJDCBSDUAYMTAF-UHFFFAOYSA-N	-1	0	350.006	3.164	40	0	in-vitro	FGABRM
CCOC(=O)C1=Cc2cc(Br)ccc2O[C@]1(O)C(F)(F)F	ZINC000139247140	206135490	/nfs/dbraw/zinc/13/54/90/206135490.db2.gz	FGXXWLCBNULWBV-LBPRGKRZSA-N	-1	0	367.117	3.039	40	0		FGABRM
CCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)c(C)s1	ZINC000006680094	206203376	/nfs/dbraw/zinc/20/33/76/206203376.db2.gz	GAYAHWBOPNYMQB-UHFFFAOYSA-N	-1	0	358.872	3.260	40	0		FGABRM
O=C([O-])/C=C/c1ccc(Br)c(I)c1	ZINC000169797132	206267790	/nfs/dbraw/zinc/26/77/90/206267790.db2.gz	UCZKONYPZSCUOZ-DUXPYHPUSA-N	-1	0	352.953	3.152	40	0		FGABRM
COc1ccc([C@@H](CC(=O)[O-])NC(=O)OCc2ccccc2)cc1OC	ZINC000038580572	206336819	/nfs/dbraw/zinc/33/68/19/206336819.db2.gz	CWNPXEIQIDRRLC-OAHLLOKOSA-N	-1	0	359.378	3.146	40	0		FGABRM
CC(C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1N[C@H](C)c1ccccc1	ZINC000217417151	206362435	/nfs/dbraw/zinc/36/24/35/206362435.db2.gz	YJNMLUQHMPARDZ-CYBMUJFWSA-N	-1	0	362.451	3.245	40	0		FGABRM
CC(C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)c1ccccc1	ZINC000217474950	206363031	/nfs/dbraw/zinc/36/30/31/206363031.db2.gz	APTLOEASTVLNIN-CYBMUJFWSA-N	-1	0	362.451	3.245	40	0		FGABRM
CC[C@@H](C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)NC1CCCCC1	ZINC000217447001	206363049	/nfs/dbraw/zinc/36/30/49/206363049.db2.gz	WVGDIZFEUDULDK-GFCCVEGCSA-N	-1	0	354.472	3.206	40	0		FGABRM
Cc1nn(-c2ccccc2)cc1/C=C/c1ccc(N)cc1S(=O)(=O)[O-]	ZINC000255189113	206589529	/nfs/dbraw/zinc/58/95/29/206589529.db2.gz	NUAGZFYCKHFUNG-BQYQJAHWSA-N	-1	0	355.419	3.180	40	0		FGABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)c1C	ZINC000006214007	263344306	/nfs/dbraw/zinc/34/43/06/263344306.db2.gz	GKJGTHAUUJCICH-UHFFFAOYSA-N	-1	0	366.870	3.459	40	0		FGABRM
O=S(=O)([N-]C(=S)N1CCCc2ccccc21)c1ccc(Cl)cc1	ZINC000005375790	493927845	/nfs/dbraw/zinc/92/78/45/493927845.db2.gz	GXASZDNDEJVHBC-UHFFFAOYSA-N	-1	0	366.895	3.356	40	0		FGABRM
CCOc1cc(/C=C/C(=O)N[C@@H](C)C(=O)[O-])ccc1OCc1ccccc1	ZINC000062715424	494021480	/nfs/dbraw/zinc/02/14/80/494021480.db2.gz	JIRCFVMNLMEJHO-PABFRNLHSA-N	-1	0	369.417	3.267	40	0		FGABRM
COc1ccc(Br)cc1/C=C(\Sc1nnc(C)o1)C(=O)[O-]	ZINC000007603634	494029357	/nfs/dbraw/zinc/02/93/57/494029357.db2.gz	JYUBBSAXLYBEHS-WDZFZDKYSA-N	-1	0	371.212	3.367	40	0		FGABRM
O=c1c2c([n-]n1-c1ccc(F)cc1)[nH]c(-c1ccc(Cl)cc1)cc2=O	ZINC000008021137	494061759	/nfs/dbraw/zinc/06/17/59/494061759.db2.gz	AYQRJQSCCMDVTD-UHFFFAOYSA-N	-1	0	355.756	3.467	40	0		FGABRM
CC1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc(Cl)cc1F	ZINC000071979950	494114028	/nfs/dbraw/zinc/11/40/28/494114028.db2.gz	IZMDRYQFRSDECR-DPBGWIHLSA-N	-1	0	355.793	3.311	40	0		FGABRM
COC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c1	ZINC000078516303	494311397	/nfs/dbraw/zinc/31/13/97/494311397.db2.gz	RZWMOVYHIJYRGW-UHFFFAOYSA-N	-1	0	359.325	3.293	40	0		FGABRM
O=C([O-])c1ccc(CNC(=O)CSc2ccc3ccccc3n2)cc1	ZINC000016526049	494393142	/nfs/dbraw/zinc/39/31/42/494393142.db2.gz	OMNDDRZPQJCRLZ-UHFFFAOYSA-N	-1	0	352.415	3.342	40	0		FGABRM
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ccccc2Oc2ccccc2)[C@H]2CC[C@@H]1O2	ZINC000017073153	494406849	/nfs/dbraw/zinc/40/68/49/494406849.db2.gz	YSXLXGLMMQLIBQ-OWSLCNJRSA-N	-1	0	353.374	3.296	40	0		FGABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1	ZINC000020492768	494474406	/nfs/dbraw/zinc/47/44/06/494474406.db2.gz	WYYLVDWJLRZJSQ-UHFFFAOYSA-N	-1	0	374.462	3.240	40	0		FGABRM
CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1	ZINC000025090283	494699413	/nfs/dbraw/zinc/69/94/13/494699413.db2.gz	NZDSYDPBAPUEKR-CYBMUJFWSA-N	-1	0	364.442	3.463	40	0		FGABRM
CC/C=C\C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000027639634	494878963	/nfs/dbraw/zinc/87/89/63/494878963.db2.gz	OFPLGKUICBQJOS-GAFLZONLSA-N	-1	0	352.471	3.251	40	0	in-vitro	FGABRM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)[nH]n2)cc1	ZINC000223252612	497034574	/nfs/dbraw/zinc/03/45/74/497034574.db2.gz	OEPKUUBPQKAKAF-UHFFFAOYSA-N	-1	0	370.434	3.144	40	0		FGABRM
COc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)cc1F	ZINC000224135962	497047763	/nfs/dbraw/zinc/04/77/63/497047763.db2.gz	ADVGJUCKTDHCGX-UHFFFAOYSA-N	-1	0	365.411	3.154	40	0		FGABRM
COc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccc(C)cc3)s2)cc1	ZINC000224571437	497050521	/nfs/dbraw/zinc/05/05/21/497050521.db2.gz	ZBQCYDAWKQAJEL-UHFFFAOYSA-N	-1	0	361.448	3.323	40	0		FGABRM
COC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC)c1C	ZINC000224759427	497053183	/nfs/dbraw/zinc/05/31/83/497053183.db2.gz	NPDPOKAGXKKXTA-UHFFFAOYSA-N	-1	0	369.826	3.244	40	0		FGABRM
O=C([O-])CCC[C@H](O)/C=C/C=C/C=C/[C@H](O)C/C=C\CCCCCO	ZINC000256161143	497382818	/nfs/dbraw/zinc/38/28/18/497382818.db2.gz	PTJFJXLGRSTECQ-BILTVKSSSA-N	-1	0	352.471	3.131	40	0	in-vitro	FGABRM
CC(C)(C)C(=O)N1CC[C@@H](Cc2cnc(-c3ccc(C(=O)[O-])cc3)cn2)C1	ZINC000257205515	497390665	/nfs/dbraw/zinc/39/06/65/497390665.db2.gz	AZLORPZYKLCMMH-AWEZNQCLSA-N	-1	0	367.449	3.279	40	0		FGABRM
Cc1csc(Nc2nccnc2C2CC[NH+](Cc3c[nH]nc3C)CC2)n1	ZINC000257204507	497391019	/nfs/dbraw/zinc/39/10/19/497391019.db2.gz	AUXZUCPVKJGZSJ-UHFFFAOYSA-N	-1	0	369.498	3.396	40	0		FGABRM
N=c1[n-]nc(SCC(=O)N2c3ccccc3S[C@H]3C=CC=C[C@H]32)s1	ZINC000408543866	499591905	/nfs/dbraw/zinc/59/19/05/499591905.db2.gz	SCRGVZCIZKEYBH-PWSUYJOCSA-N	-1	0	374.516	3.045	40	0		FGABRM
CCOc1cc(/C=C/C(=O)Nc2ccc(OCC(=O)[O-])cc2)ccc1OC	ZINC000408611306	499593252	/nfs/dbraw/zinc/59/32/52/499593252.db2.gz	TURXAXBWNMAZPH-VZUCSPMQSA-N	-1	0	371.389	3.209	40	0		FGABRM
CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1	ZINC000408700609	499593854	/nfs/dbraw/zinc/59/38/54/499593854.db2.gz	IVAMQPFKOUQOSA-UHFFFAOYSA-N	-1	0	362.451	3.488	40	0		FGABRM
CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1NC1CCCC1	ZINC000217523374	521060895	/nfs/dbraw/zinc/06/08/95/521060895.db2.gz	XOFNNZRWRSXWLW-LBPRGKRZSA-N	-1	0	354.472	3.206	40	0		FGABRM
CCCc1ccc2c(N)c3c(=O)n(-c4ccc(C)cc4)c([O-])c-3sc2n1	ZINC000261526768	210006242	/nfs/dbraw/zinc/00/62/42/210006242.db2.gz	JVDOWEFOQZXGCT-QGZVFWFLSA-N	-1	0	365.458	3.060	40	0		FGABRM
COc1ccc(-c2noc(C(=O)[O-])c2[C@@H](C)NC(=O)C2CCCC2)cc1	ZINC000096296824	209889008	/nfs/dbraw/zinc/88/90/08/209889008.db2.gz	BOAUWJJJVUBTKW-LLVKDONJSA-N	-1	0	358.394	3.416	40	0	biogenic,in-vitro	FGABRM
COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)[O-])cc1	ZINC000016216305	220181153	/nfs/dbraw/zinc/18/11/53/220181153.db2.gz	BVFRFJOSDRYTNF-UHFFFAOYSA-N	-1	0	364.810	3.174	40	0		FGABRM
COc1ccc(-n2c(SCC(=O)[O-])nnc2-c2cccc(OC)c2)cc1	ZINC000006027320	207127118	/nfs/dbraw/zinc/12/71/18/207127118.db2.gz	UBHKBOVXQKEPBN-UHFFFAOYSA-N	-1	0	371.418	3.128	40	0		FGABRM
C[C@H]1C[C@@H](O)[C@@H]2[C@@](C)(C(=O)[O-])CCC[C@]2(C)[C@]1(O)CCc1ccoc1	ZINC000008615480	207239706	/nfs/dbraw/zinc/23/97/06/207239706.db2.gz	XNJHGRHUXRWGMG-KPWCVIRISA-N	-1	0	350.455	3.241	40	0		FGABRM
CCc1c(C)nc2cc([C@H]3CCCCN3C(=O)c3ccccn3)[n-]n2c1=O	ZINC000012161744	207344688	/nfs/dbraw/zinc/34/46/88/207344688.db2.gz	CABKSERKLYNIOF-QGZVFWFLSA-N	-1	0	365.437	3.068	40	0		FGABRM
CCn1cc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)c(C)n1	ZINC000012143860	207342768	/nfs/dbraw/zinc/34/27/68/207342768.db2.gz	CAAQVYYQODVAAM-UHFFFAOYSA-N	-1	0	358.423	3.200	40	0		FGABRM
O=C([O-])CCCCCC[C@@H]1C(=O)NC(=O)[C@H]1CC[C@H](O)C1CCCCC1	ZINC000027639311	207936774	/nfs/dbraw/zinc/93/67/74/207936774.db2.gz	QDVVSQBTMYMOHR-ULQDDVLXSA-N	-1	0	367.486	3.022	40	0	in-vitro	FGABRM
O=S(=O)([N-]C(=S)Nc1ccccc1)c1ccc(Br)cc1	ZINC000001719451	493798086	/nfs/dbraw/zinc/79/80/86/493798086.db2.gz	WZYSPCWTCGUVAQ-UHFFFAOYSA-N	-1	0	371.281	3.124	40	0		FGABRM
CCCCC[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@H]2O/C(=C\CCCC(=O)[O-])C[C@@H]21	ZINC000003830758	493857569	/nfs/dbraw/zinc/85/75/69/493857569.db2.gz	KAQKFAOMNZTLHT-MDFWOVRQSA-N	-1	0	352.471	3.409	40	0		FGABRM
O=C([O-])[C@@H]1[C@H](C(=O)Nc2ccc(Cc3ccncc3)cc2)[C@@H]2CC[C@H]1C2	ZINC000004046102	493861996	/nfs/dbraw/zinc/86/19/96/493861996.db2.gz	ISNROLLRICGDTA-JFRXWTBNSA-N	-1	0	350.418	3.358	40	0		FGABRM
COc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC000005515016	493932905	/nfs/dbraw/zinc/93/29/05/493932905.db2.gz	XMFHNVFCAJTQGW-CIAFOILYSA-N	-1	0	364.357	3.417	40	0		FGABRM
CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccccc2C(=O)[O-])c1	ZINC000005846824	493943725	/nfs/dbraw/zinc/94/37/25/493943725.db2.gz	OUAUMXKSVOPUNY-UHFFFAOYSA-N	-1	0	358.419	3.299	40	0		FGABRM
COc1ccccc1C(=O)N/N=C/c1ccc(-c2cccc(C(=O)[O-])c2)o1	ZINC000006182601	493953812	/nfs/dbraw/zinc/95/38/12/493953812.db2.gz	HSCQSBVJSAPIBI-CIAFOILYSA-N	-1	0	364.357	3.417	40	0		FGABRM
CCNC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)ccc2C)c(C)s1	ZINC000006680106	493973823	/nfs/dbraw/zinc/97/38/23/493973823.db2.gz	BVYFNYLLIVSGRG-UHFFFAOYSA-N	-1	0	352.481	3.224	40	0		FGABRM
O=C([O-])c1ccc(CNC(=O)CSc2cccc3cccnc32)cc1	ZINC000016448829	494391168	/nfs/dbraw/zinc/39/11/68/494391168.db2.gz	GUTLMPJHZQZLFP-UHFFFAOYSA-N	-1	0	352.415	3.342	40	0		FGABRM
Cc1ccc(C)c(N(CC(=O)[O-])S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000020061316	494466358	/nfs/dbraw/zinc/46/63/58/494466358.db2.gz	GUMANZRICNXZRK-UHFFFAOYSA-N	-1	0	353.827	3.237	40	0		FGABRM
COc1ccc(C(=O)[O-])cc1NC(=O)c1c(F)c(F)c(F)c(F)c1F	ZINC000020143155	494467581	/nfs/dbraw/zinc/46/75/81/494467581.db2.gz	ILPIIFWYHKSAPY-UHFFFAOYSA-N	-1	0	361.222	3.341	40	0		FGABRM
Cc1ccc(C(=O)NC(=S)Nc2ccc(CC(=O)[O-])cc2)cc1Cl	ZINC000020152317	494468623	/nfs/dbraw/zinc/46/86/23/494468623.db2.gz	JFJAQNPVYXCDQM-UHFFFAOYSA-N	-1	0	362.838	3.402	40	0		FGABRM
CC/C=C\C[C@@H](O)/C=C/[C@@H]1[C@@H](CCCCCCC(=O)[O-])C(=O)C[C@@H]1O	ZINC000027639617	494878829	/nfs/dbraw/zinc/87/88/29/494878829.db2.gz	OFPLGKUICBQJOS-LULYHEFNSA-N	-1	0	352.471	3.251	40	0	in-vitro	FGABRM
C[C@@H](NC(=O)c1cccnc1)c1c(-c2ccc(F)cc2)noc1C(=O)[O-]	ZINC000096296866	495009859	/nfs/dbraw/zinc/00/98/59/495009859.db2.gz	WVVWOJYYJFWXCU-SNVBAGLBSA-N	-1	0	355.325	3.065	40	0	biogenic,in-vitro	FGABRM
CCCCC[C@H](O)/C=C\[C@H]1[C@H](O)C[C@@H]2O[C@@H](CCCCC(=O)[O-])C[C@H]12	ZINC000144087008	495540809	/nfs/dbraw/zinc/54/08/09/495540809.db2.gz	RJADQDXZYFCVHV-KVHVTUHRSA-N	-1	0	354.487	3.283	40	0		FGABRM
O=C([O-])[C@@H](CCCCO)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000147008732	495572275	/nfs/dbraw/zinc/57/22/75/495572275.db2.gz	RLKMUBZYLZBKMO-LJQANCHMSA-N	-1	0	369.417	3.141	40	0		FGABRM
O=C([O-])CCCCCOC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21	ZINC000247425665	496856960	/nfs/dbraw/zinc/85/69/60/496856960.db2.gz	SJVKODBBFQHRII-INIZCTEOSA-N	-1	0	369.417	3.395	40	0		FGABRM
Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1	ZINC000216494238	496989292	/nfs/dbraw/zinc/98/92/92/496989292.db2.gz	ZBRDHQBZYZSARN-UHFFFAOYSA-N	-1	0	367.430	3.443	40	0		FGABRM
CCCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1N[C@@H](C)CCC	ZINC000217517335	496998765	/nfs/dbraw/zinc/99/87/65/496998765.db2.gz	YVMOOWKIEMOONI-ZDUSSCGKSA-N	-1	0	356.488	3.454	40	0		FGABRM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(OC)c3ncccc23)c1	ZINC000223257358	497034035	/nfs/dbraw/zinc/03/40/35/497034035.db2.gz	RONHAVDIHBJUQV-UHFFFAOYSA-N	-1	0	374.418	3.061	40	0		FGABRM
CCc1cc(S(=O)(=O)[N-]c2nnc(SC(C)C)s2)ccc1OC	ZINC000223663440	497041282	/nfs/dbraw/zinc/04/12/82/497041282.db2.gz	NOHPFUJKAPFRBJ-UHFFFAOYSA-N	-1	0	373.525	3.410	40	0		FGABRM
CCOc1ccc(S(=O)(=O)[N-]c2nnc(SCC(C)C)s2)cc1	ZINC000225532809	497065851	/nfs/dbraw/zinc/06/58/51/497065851.db2.gz	NLAWQYUAFBHIQN-UHFFFAOYSA-N	-1	0	373.525	3.486	40	0		FGABRM
Cc1nnc([N-]c2cc([C@@H]3CCCCN3Cc3cc[nH]n3)nc(C)n2)s1	ZINC000257305120	497400851	/nfs/dbraw/zinc/40/08/51/497400851.db2.gz	SOMRNMBHIASCFL-HNNXBMFYSA-N	-1	0	370.486	3.139	40	0		FGABRM
CC[C@@H](C)N=c1nc(Nc2ccc(OC)c(OC)c2)cc(C(F)(F)F)[n-]1	ZINC000329003361	499012085	/nfs/dbraw/zinc/01/20/85/499012085.db2.gz	KLOPFHQYDWSQPS-SNVBAGLBSA-N	-1	0	370.375	3.310	40	0		FGABRM
CC(C)(C)c1ccc(Nc2cc(C(F)(F)F)nc(NCC(=O)[O-])n2)cc1	ZINC000329033841	499021521	/nfs/dbraw/zinc/02/15/21/499021521.db2.gz	QWKJTGXHJRXOEC-UHFFFAOYSA-N	-1	0	368.359	3.455	40	0		FGABRM
CCCn1nnc(=NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)[n-]1	ZINC000408629342	499593463	/nfs/dbraw/zinc/59/34/63/499593463.db2.gz	XUXWBEXZEYVMKB-UHFFFAOYSA-N	-1	0	366.208	3.324	40	0		FGABRM
O=C([O-])c1ccc(NC2CC2)c(S(=O)(=O)NCCC2=CCCCC2)c1	ZINC000217453725	526377179	/nfs/dbraw/zinc/37/71/79/526377179.db2.gz	FMCITHGDKYQQCZ-UHFFFAOYSA-N	-1	0	364.467	3.128	40	0		FGABRM
Cc1ccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c(C)c1	ZINC000409130881	570730566	/nfs/dbraw/zinc/73/05/66/570730566.db2.gz	NYGDRHSXDRJMKA-OQLLNIDSSA-N	-1	0	356.403	3.215	40	0		FGABRM
CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2cnn3c2CCC3)C1	ZINC000656613542	571111150	/nfs/dbraw/zinc/11/11/50/571111150.db2.gz	YWEUABBHNGIPGJ-XNTDXEJSSA-N	-1	0	374.444	3.452	40	0		FGABRM
CCC[C@@H](C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCC(C)C	ZINC000217521148	209656783	/nfs/dbraw/zinc/65/67/83/209656783.db2.gz	PVKQMCIJJQYIQK-CYBMUJFWSA-N	-1	0	356.488	3.310	40	0		FGABRM
COc1cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc(OC)c1OC	ZINC000020143252	209612479	/nfs/dbraw/zinc/61/24/79/209612479.db2.gz	WOFYLFAQUYNVIL-UHFFFAOYSA-N	-1	0	365.769	3.316	40	0		FGABRM
O=C([O-])[C@H]1[C@@H](C(=O)Nc2ccccc2Oc2ccccc2)[C@H]2CC[C@@H]1O2	ZINC000017073152	209602561	/nfs/dbraw/zinc/60/25/61/209602561.db2.gz	YSXLXGLMMQLIBQ-VSZNYVQBSA-N	-1	0	353.374	3.296	40	0		FGABRM
Cc1[nH]c2ccccc2c1C[C@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000044909829	209321672	/nfs/dbraw/zinc/32/16/72/209321672.db2.gz	LPWKGQWKIRKHPH-SFHVURJKSA-N	-1	0	352.390	3.398	40	0		FGABRM
CCc1c(C)nc2cc([C@H]3CCCCN3C(=O)c3cccnc3)[n-]n2c1=O	ZINC000012161732	207345781	/nfs/dbraw/zinc/34/57/81/207345781.db2.gz	GDWPZYCQUDGHCD-QGZVFWFLSA-N	-1	0	365.437	3.068	40	0		FGABRM
CCCOc1ccc(/C=C/C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000040867869	208272584	/nfs/dbraw/zinc/27/25/84/208272584.db2.gz	NYKHVSKAEFEOOX-YFPIXMDGSA-N	-1	0	353.418	3.301	40	0		FGABRM
O=C([O-])c1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccccc2)c1	ZINC000217505580	132272074	/nfs/dbraw/zinc/27/20/74/132272074.db2.gz	HNJMFQXEMRNUNS-UHFFFAOYSA-N	-1	0	360.435	3.176	40	0		FGABRM
CC1=CC(C)(C)NC(=S)N1c1ccc2ccccc2c1S(=O)(=O)[O-]	ZINC000008580283	132843553	/nfs/dbraw/zinc/84/35/53/132843553.db2.gz	KGKZFYGMRSMURX-UHFFFAOYSA-N	-1	0	362.476	3.463	40	0		FGABRM
C[C@@H](C(=O)c1ccc(O)cc1)[C@]1(O)C(=O)Nc2c1cc(Cl)cc2Cl	ZINC000001624342	493796749	/nfs/dbraw/zinc/79/67/49/493796749.db2.gz	ARAHZOQFRZLIQU-WNWIJWBNSA-N	-1	0	366.200	3.358	40	0		FGABRM
CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1	ZINC000006564032	493968373	/nfs/dbraw/zinc/96/83/73/493968373.db2.gz	CVUGPCOTHSYBJD-UHFFFAOYSA-N	-1	0	358.419	3.299	40	0		FGABRM
CCOc1ccc(C(=O)[O-])cc1/C=C(\C#N)C(=O)NCc1ccccc1	ZINC000006963776	493990376	/nfs/dbraw/zinc/99/03/76/493990376.db2.gz	GKASTYOEEIKEPG-GZTJUZNOSA-N	-1	0	350.374	3.007	40	0		FGABRM
CCc1nc(SC(=Cc2cc(Br)ccc2O)C(=O)[O-])n[nH]1	ZINC000007342409	494016662	/nfs/dbraw/zinc/01/66/62/494016662.db2.gz	IVDMCIGDYVPRBA-POHAHGRESA-N	-1	0	370.228	3.053	40	0		FGABRM
O=C([O-])c1c2c(nc3onc(Cc4ccc5c(c4)OCCCO5)c31)CCC2	ZINC000062710722	494021751	/nfs/dbraw/zinc/02/17/51/494021751.db2.gz	UKKIIUFUVLAFFL-UHFFFAOYSA-N	-1	0	366.373	3.162	40	0		FGABRM
C#CCOc1ccc(/C=C(\Sc2nnc(CC)o2)C(=O)[O-])cc1OCC	ZINC000007603365	494029796	/nfs/dbraw/zinc/02/97/96/494029796.db2.gz	VWVPLGIQRIYLGH-PTNGSMBKSA-N	-1	0	374.418	3.261	40	0		FGABRM
O=C([O-])c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1	ZINC000007882231	494049500	/nfs/dbraw/zinc/04/95/00/494049500.db2.gz	ZDRGRISSCQCBGR-GFCCVEGCSA-N	-1	0	358.781	3.030	40	0		FGABRM
COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Br)cc1	ZINC000010301912	494149427	/nfs/dbraw/zinc/14/94/27/494149427.db2.gz	OXBHRDSGQBTAKO-UHFFFAOYSA-N	-1	0	360.204	3.398	40	0		FGABRM
CCSc1ccccc1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1	ZINC000055648926	494381969	/nfs/dbraw/zinc/38/19/69/494381969.db2.gz	KNDUZNXAMRTKPJ-UHFFFAOYSA-N	-1	0	371.505	3.003	40	0		FGABRM
Cc1cccc(Cc2c(C)[nH]c3[n-]n(-c4ccc(F)cc4)c(=O)c3c2=O)c1	ZINC000017074723	494408031	/nfs/dbraw/zinc/40/80/31/494408031.db2.gz	CBBYUVNMKLEPKG-UHFFFAOYSA-N	-1	0	363.392	3.354	40	0		FGABRM
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)[O-])c2)c(C)c1	ZINC000073754348	494424391	/nfs/dbraw/zinc/42/43/91/494424391.db2.gz	DOSGELOAUKWOFE-SXGWCWSVSA-N	-1	0	350.374	3.313	40	0		FGABRM
CCCc1cc2c(cc1[N-]S(=O)(=O)c1cn(CCC)nc1C)OCO2	ZINC000019525476	494447065	/nfs/dbraw/zinc/44/70/65/494447065.db2.gz	NRMGGGGGYKHUDJ-UHFFFAOYSA-N	-1	0	365.455	3.084	40	0		FGABRM
CCOc1ccc(/C=C/C(=O)Nc2cc(C(=O)[O-])ccc2OC)cc1OC	ZINC000020151134	494468417	/nfs/dbraw/zinc/46/84/17/494468417.db2.gz	VEESPQOZJPZTST-UXBLZVDNSA-N	-1	0	371.389	3.453	40	0		FGABRM
Cc1cc(O)ccc1-n1cc(C(=O)[O-])c(=O)c2ccc(Br)cc21	ZINC000095802907	494989915	/nfs/dbraw/zinc/98/99/15/494989915.db2.gz	GAQYYLONEGSVIP-UHFFFAOYSA-N	-1	0	374.190	3.465	40	0		FGABRM
CCC[C@H](C)Nc1ccc(S(=O)(=O)NC2CCCC2)cc1C(=O)[O-]	ZINC000217577834	496998095	/nfs/dbraw/zinc/99/80/95/496998095.db2.gz	OXNVBOGQAPOZOM-LBPRGKRZSA-N	-1	0	354.472	3.206	40	0		FGABRM
CCC[C@@H](C)Nc1ccc(S(=O)(=O)N[C@H](C)CCC)cc1C(=O)[O-]	ZINC000217661677	496999180	/nfs/dbraw/zinc/99/91/80/496999180.db2.gz	GVMYTMDHVUISOD-CHWSQXEVSA-N	-1	0	356.488	3.452	40	0		FGABRM
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)[O-])cc1	ZINC000218393855	497002493	/nfs/dbraw/zinc/00/24/93/497002493.db2.gz	KEBPDVFKWWZVNR-ARFHVFGLSA-N	-1	0	350.823	3.289	40	0		FGABRM
Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)[N-]C(=O)C(F)(F)F)c1	ZINC000408719218	499594350	/nfs/dbraw/zinc/59/43/50/499594350.db2.gz	APFSLVMFARXFKM-OAHLLOKOSA-N	-1	0	350.340	3.223	40	0		FGABRM
Cc1cc2nc([C@@H]3CCCCN3C(=O)Cc3ccsc3)cc(=O)n2[n-]1	ZINC000257332767	210000551	/nfs/dbraw/zinc/00/05/51/210000551.db2.gz	XYOHSXNXRKIGHF-HNNXBMFYSA-N	-1	0	356.451	3.101	40	0		FGABRM
CC(=O)N1CCC(c2cc(-c3cc(F)ccc3C(=O)[O-])nc(C)n2)CC1	ZINC000257328185	210000117	/nfs/dbraw/zinc/00/01/17/210000117.db2.gz	XENJNKBZQGGQIG-UHFFFAOYSA-N	-1	0	357.385	3.015	40	0		FGABRM
O=C([O-])CN(Cc1ccco1)C(=O)c1ccc2nc(Cl)sc2c1	ZINC000225982716	209845696	/nfs/dbraw/zinc/84/56/96/209845696.db2.gz	MKIJJHISDZAKKX-UHFFFAOYSA-N	-1	0	350.783	3.270	40	0		FGABRM
CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](CCCCCCC(=O)[O-])C(=O)C[C@@H]1O	ZINC000005978194	209447672	/nfs/dbraw/zinc/44/76/72/209447672.db2.gz	GMVPRGQOIOIIMI-FZYGRIMQSA-N	-1	0	354.487	3.475	40	0	in-vitro	FGABRM
Cc1cccc(NCc2nnc(SCC(=O)[O-])n2-c2ccccc2)c1	ZINC000000877847	209380452	/nfs/dbraw/zinc/38/04/52/209380452.db2.gz	MVZYANDWYIJNDW-UHFFFAOYSA-N	-1	0	354.435	3.365	40	0		FGABRM
O=C([O-])[C@@H](Cc1c[nH]c2cccc(F)c12)NC(=O)OCc1ccccc1	ZINC000044909793	209321403	/nfs/dbraw/zinc/32/14/03/209321403.db2.gz	MJZVIXVJHBOSOE-MRXNPFEDSA-N	-1	0	356.353	3.229	40	0		FGABRM
COc1ccccc1-c1[n-]n2c(nc(-c3cccnc3OC)cc2=O)c1C	ZINC000100219741	209211531	/nfs/dbraw/zinc/21/15/31/209211531.db2.gz	GYKGQQVASGHCQT-UHFFFAOYSA-N	-1	0	362.389	3.490	40	0		FGABRM
O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1ccc(Cc2ccncc2)cc1	ZINC000004046104	206999093	/nfs/dbraw/zinc/99/90/93/206999093.db2.gz	ISNROLLRICGDTA-NEPXVJNWSA-N	-1	0	350.418	3.358	40	0		FGABRM
CCCc1cc(C(=O)OC)c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])s1	ZINC000005094751	207080062	/nfs/dbraw/zinc/08/00/62/207080062.db2.gz	FXXQCNHLQWABOO-QOBDMFJFSA-N	-1	0	365.451	3.173	40	0		FGABRM
COc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@@H](C(=O)[O-])N1C(C)=O	ZINC000005378131	207097377	/nfs/dbraw/zinc/09/73/77/207097377.db2.gz	FBUGOKAFLIOBAK-PXNSSMCTSA-N	-1	0	364.401	3.124	40	0		FGABRM
CCCCC[C@@H](O)/C=C/[C@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@H](O)C[C@@H]1O	ZINC000008552290	207235914	/nfs/dbraw/zinc/23/59/14/207235914.db2.gz	PXGPLTODNUVGFL-VCKDCIDJSA-N	-1	0	354.487	3.043	40	0	in-vitro	FGABRM
CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1	ZINC000010515318	207302344	/nfs/dbraw/zinc/30/23/44/207302344.db2.gz	MOAZZSRDWDMQQS-UHFFFAOYSA-N	-1	0	373.261	3.496	40	0		FGABRM
CCc1c(C)nc2cc([C@H]3CCCCN3C(=O)c3ccncc3)[n-]n2c1=O	ZINC000012276320	207353297	/nfs/dbraw/zinc/35/32/97/207353297.db2.gz	WXOWLHDCLUPOIJ-QGZVFWFLSA-N	-1	0	365.437	3.068	40	0		FGABRM
CCCCCC(=O)CC[C@H]1[C@H](O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000015111055	207547856	/nfs/dbraw/zinc/54/78/56/207547856.db2.gz	VKTIONYPMSCHQI-JSYBABFTSA-N	-1	0	354.487	3.475	40	0	in-vitro	FGABRM
COc1ccc(-c2cc3nc(-c4ncccc4C)cc(=O)n3[n-]2)cc1OC	ZINC000019237884	207650598	/nfs/dbraw/zinc/65/05/98/207650598.db2.gz	BEQTYIPHIUJRJQ-UHFFFAOYSA-N	-1	0	362.389	3.490	40	0		FGABRM
O=C([O-])/C=C\C(=O)Nc1cc2c(cc1Br)-c1ccccc1C2=O	ZINC000031623630	208014106	/nfs/dbraw/zinc/01/41/06/208014106.db2.gz	BONAKDYECWWRFC-WAYWQWQTSA-N	-1	0	372.174	3.240	40	0		FGABRM
CCOc1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c2ccccc12	ZINC000409127132	263531180	/nfs/dbraw/zinc/53/11/80/263531180.db2.gz	QDZATEWZMOJIAY-OQLLNIDSSA-N	-1	0	357.387	3.359	40	0		FGABRM
CC(C)c1ccc(Cc2c([O-])n(Cc3ccccc3)c(=O)[nH]c2=O)cc1	ZINC000001438777	493794717	/nfs/dbraw/zinc/79/47/17/493794717.db2.gz	QFNWAHIDDBITIU-SFHVURJKSA-N	-1	0	350.418	3.247	40	0		FGABRM
O=C([O-])CCC[C@@H](O)/C=C\C=C\C=C\[C@H](O)C/C=C\CCCCCO	ZINC000059206781	493902352	/nfs/dbraw/zinc/90/23/52/493902352.db2.gz	PTJFJXLGRSTECQ-PCGNBQSJSA-N	-1	0	352.471	3.131	40	0	in-vitro	FGABRM
CCCc1nc(SC(=Cc2ccc(OC)c(OCC)c2)C(=O)[O-])n[nH]1	ZINC000007342244	494016433	/nfs/dbraw/zinc/01/64/33/494016433.db2.gz	GRWWVQARVUFREM-UVTDQMKNSA-N	-1	0	363.439	3.382	40	0		FGABRM
COc1cc(/C=C/C(=O)NCCCC(=O)[O-])ccc1OCc1ccccc1	ZINC000062714633	494021334	/nfs/dbraw/zinc/02/13/34/494021334.db2.gz	AYXURDBZFYJTTK-ZRDIBKRKSA-N	-1	0	369.417	3.268	40	0		FGABRM
Cc1nnc(S/C(=C\c2ccc(O)c(Br)c2)C(=O)[O-])o1	ZINC000007603596	494029472	/nfs/dbraw/zinc/02/94/72/494029472.db2.gz	FQHQMIKHCXZZQJ-YHYXMXQVSA-N	-1	0	357.185	3.064	40	0		FGABRM
O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(N2CCCCCC2)o1	ZINC000008477329	494092503	/nfs/dbraw/zinc/09/25/03/494092503.db2.gz	BBINLMQASBDBAJ-DTQAZKPQSA-N	-1	0	371.437	3.064	40	0		FGABRM
CCCCC[C@@H](O)/C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000013516050	494288421	/nfs/dbraw/zinc/28/84/21/494288421.db2.gz	GMVPRGQOIOIIMI-HUKXYIHPSA-N	-1	0	354.487	3.475	40	0		FGABRM
COc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc1Br	ZINC000020142298	494467190	/nfs/dbraw/zinc/46/71/90/494467190.db2.gz	COFQDEPYDCWMBZ-UHFFFAOYSA-N	-1	0	366.167	3.114	40	0		FGABRM
CCCOc1cccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])c(O)c2)c1	ZINC000020152681	494468823	/nfs/dbraw/zinc/46/88/23/494468823.db2.gz	DLAWRFJHEKYKMG-UHFFFAOYSA-N	-1	0	374.418	3.006	40	0		FGABRM
CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)cc1	ZINC000026529024	494830753	/nfs/dbraw/zinc/83/07/53/494830753.db2.gz	LJTVSTFRZQKYQQ-UHFFFAOYSA-N	-1	0	353.827	3.490	40	0		FGABRM
CC[C@@H](C)NS(=O)(=O)c1ccc(NC2CCCCC2)c(C(=O)[O-])c1	ZINC000217558223	496998426	/nfs/dbraw/zinc/99/84/26/496998426.db2.gz	UHBXVVFJNSQCJE-GFCCVEGCSA-N	-1	0	354.472	3.206	40	0		FGABRM
CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1NCCC(C)C	ZINC000217527658	496998701	/nfs/dbraw/zinc/99/87/01/496998701.db2.gz	HNPDZRIGJLBZPC-ZDUSSCGKSA-N	-1	0	356.488	3.310	40	0		FGABRM
CCn1c(Cl)nc2cc(C(=O)N(CC(=O)[O-])Cc3ccco3)ccc21	ZINC000222557165	497025854	/nfs/dbraw/zinc/02/58/54/497025854.db2.gz	OHXKOTMFUFHYJB-UHFFFAOYSA-N	-1	0	361.785	3.030	40	0		FGABRM
COc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)cc1C	ZINC000223131922	497032603	/nfs/dbraw/zinc/03/26/03/497032603.db2.gz	OEMPGYDMSWZYMM-UHFFFAOYSA-N	-1	0	361.448	3.323	40	0		FGABRM
CSc1cccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c1	ZINC000223328187	497035751	/nfs/dbraw/zinc/03/57/51/497035751.db2.gz	XIOQFTURKIFAEJ-UHFFFAOYSA-N	-1	0	370.839	3.297	40	0		FGABRM
COc1ccc(C(=O)OC(C)C)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000223648571	497040924	/nfs/dbraw/zinc/04/09/24/497040924.db2.gz	TYOWLOFRYHTSKD-UHFFFAOYSA-N	-1	0	367.398	3.200	40	0		FGABRM
CC(C)(C)C(=O)c1cc(C(=O)[O-])c(=O)n(-c2cc(Cl)cc(Cl)c2)n1	ZINC000225968360	497079608	/nfs/dbraw/zinc/07/96/08/497079608.db2.gz	IVMVEXIJZZFZDJ-UHFFFAOYSA-N	-1	0	369.204	3.466	40	0		FGABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)cc1	ZINC000193406492	497372301	/nfs/dbraw/zinc/37/23/01/497372301.db2.gz	DUPFTESPTFSDAS-UHFFFAOYSA-N	-1	0	352.843	3.151	40	0		FGABRM
Cc1cc(Nc2cc(-c3ccncc3)nc(NCC(=O)[O-])n2)ccc1Cl	ZINC000328956395	498999203	/nfs/dbraw/zinc/99/92/03/498999203.db2.gz	AFXUEVNUHRMYCJ-UHFFFAOYSA-N	-1	0	369.812	3.162	40	0		FGABRM
O=C([O-])CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2)CC1	ZINC000408609076	499593104	/nfs/dbraw/zinc/59/31/04/499593104.db2.gz	NRZCMLVKSZWSKR-IBGZPJMESA-N	-1	0	370.424	3.190	40	0		FGABRM
CCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(CC)cc2)ccc1OC	ZINC000408699686	499593830	/nfs/dbraw/zinc/59/38/30/499593830.db2.gz	YNTXZKGNFRGMOZ-UHFFFAOYSA-N	-1	0	362.451	3.407	40	0		FGABRM
Cc1nc2ncnn2c(N)c1-c1ccc(C2CCC(CC(=O)[O-])CC2)cc1	ZINC000087493407	527204169	/nfs/dbraw/zinc/20/41/69/527204169.db2.gz	ZBTAGSMRNLXCHS-UHFFFAOYSA-N	-1	0	365.437	3.430	40	0		FGABRM
O=C([O-])C[C@@H]1CCN(C(=O)C2CCCC2)C[C@@H]1Cc1nc2ccccc2[nH]1	ZINC000514288779	560033940	/nfs/dbraw/zinc/03/39/40/560033940.db2.gz	DZCKAXTWCUFDEX-HOTGVXAUSA-N	-1	0	369.465	3.235	40	0	biogenic,in-vitro	FGABRM
Cc1cc(C)c([C@@H](C)NC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1C	ZINC000223425962	568653485	/nfs/dbraw/zinc/65/34/85/568653485.db2.gz	WLPQQCQXEFWREI-OAHLLOKOSA-N	-1	0	360.479	3.474	40	0		FGABRM
O=C([O-])c1ccc(CN2C[C@@H](F)[C@@H](OCc3nc4ccccc4[nH]3)C2)cc1	ZINC000096112169	209882461	/nfs/dbraw/zinc/88/24/61/209882461.db2.gz	PJWVAAKQVGEWFF-QAPCUYQASA-N	-1	0	369.396	3.000	40	0	biogenic,in-vitro	FGABRM
CC[C@H](C)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)[O-]	ZINC000217603927	209659433	/nfs/dbraw/zinc/65/94/33/209659433.db2.gz	FDYPRNVBTXAJRE-ZDUSSCGKSA-N	-1	0	362.451	3.074	40	0		FGABRM
C[C@@H]1C[C@H](O)[C@@H]2[C@@](C)(C(=O)[O-])CCC[C@]2(C)[C@]1(O)CCc1ccoc1	ZINC000104360345	209261934	/nfs/dbraw/zinc/26/19/34/209261934.db2.gz	XNJHGRHUXRWGMG-LBXNTXCASA-N	-1	0	350.455	3.241	40	0		FGABRM
CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000003870598	206992658	/nfs/dbraw/zinc/99/26/58/206992658.db2.gz	VKTIONYPMSCHQI-GNVZVQCLSA-N	-1	0	354.487	3.475	40	0		FGABRM
C[C@H]1CCC[C@H](C)N1C(=O)Cn1c2ccccc2nc1SCC(=O)[O-]	ZINC000004859226	207055325	/nfs/dbraw/zinc/05/53/25/207055325.db2.gz	ASBBULQHRSJDHA-STQMWFEESA-N	-1	0	361.467	3.003	40	0		FGABRM
CCCCC[C@H](O)[C@H](O)/C=C/C=C/C=C\C=C\[C@@H](O)CCCC(=O)[O-]	ZINC000012496544	207383384	/nfs/dbraw/zinc/38/33/84/207383384.db2.gz	UXVRTOKOJOMENI-WLPVFMORSA-N	-1	0	352.471	3.129	40	0	endogenous,in-man	FGABRM
CC/C=C\C[C@@H](O)/C=C/[C@H]1C(=O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000043772061	208307989	/nfs/dbraw/zinc/30/79/89/208307989.db2.gz	ANOICLBSJIMQTA-HWQOOBKHSA-N	-1	0	350.455	3.027	40	0	in-vitro	FGABRM
CC1=CC(C)(C)NC(=S)N1c1cccc2cc(S(=O)(=O)[O-])ccc21	ZINC000005315089	132827865	/nfs/dbraw/zinc/82/78/65/132827865.db2.gz	HXQOWRHOMDDCSS-UHFFFAOYSA-N	-1	0	362.476	3.463	40	0		FGABRM
CC(=O)OC1=C(c2ccccc2)[C@@H](c2ccccc2)C[C@@H]1OS(=O)(=O)[O-]	ZINC000001718653	493798161	/nfs/dbraw/zinc/79/81/61/493798161.db2.gz	KNVCUBUQYJGRIN-SJORKVTESA-N	-1	0	374.414	3.336	40	0		FGABRM
COc1ccc(C(=O)[C@@H](C)[C@H](C)OC(=O)c2ccccc2C(=O)[O-])cc1	ZINC000001700413	493798372	/nfs/dbraw/zinc/79/83/72/493798372.db2.gz	SHIFCBQBXCFKMB-STQMWFEESA-N	-1	0	356.374	3.458	40	0		FGABRM
N#C/C(=C/c1cccn1-c1ccc(C(=O)[O-])cc1)C(=O)NCc1ccccc1	ZINC000007094511	494000633	/nfs/dbraw/zinc/00/06/33/494000633.db2.gz	UCXCFRVUJGPJBB-AQTBWJFISA-N	-1	0	371.396	3.399	40	0		FGABRM
CCOc1cc(/C=C/C(=O)NCCC(=O)[O-])ccc1OCc1ccccc1	ZINC000062715433	494021776	/nfs/dbraw/zinc/02/17/76/494021776.db2.gz	RHWBJRPUWUCJPW-PKNBQFBNSA-N	-1	0	369.417	3.268	40	0		FGABRM
CCc1nnc([N-]c2cc([C@H]3CCCN3c3ncccn3)nc(C)n2)s1	ZINC000072360342	494158482	/nfs/dbraw/zinc/15/84/82/494158482.db2.gz	YXYFWFVLIXHDCG-CYBMUJFWSA-N	-1	0	368.470	3.074	40	0		FGABRM
CCOc1cc(OCC)cc(C(=O)Nc2cc(C(=O)[O-])ccc2OC)c1	ZINC000020143343	494467552	/nfs/dbraw/zinc/46/75/52/494467552.db2.gz	VZWLPBVWMCFBRB-UHFFFAOYSA-N	-1	0	359.378	3.443	40	0		FGABRM
CCOc1cccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])cc2C)c1	ZINC000020152645	494468832	/nfs/dbraw/zinc/46/88/32/494468832.db2.gz	GZXWQEKDYWPLJT-UHFFFAOYSA-N	-1	0	358.419	3.219	40	0		FGABRM
CCOC(=O)c1c(C)nc([N-]c2nc(C)c3cccc(OC)c3n2)nc1C	ZINC000020634073	494478480	/nfs/dbraw/zinc/47/84/80/494478480.db2.gz	ORHHZKGLCCMMGP-UHFFFAOYSA-N	-1	0	367.409	3.274	40	0		FGABRM
COC(=O)c1c(C)nc([N-]c2nc(C)c3cc(C)cc(C)c3n2)nc1C	ZINC000020634122	494478487	/nfs/dbraw/zinc/47/84/87/494478487.db2.gz	SCLJEUOJLZEQHK-UHFFFAOYSA-N	-1	0	351.410	3.492	40	0		FGABRM
CC[C@H](C)NS(=O)(=O)c1ccc(NC2CCCCC2)c(C(=O)[O-])c1	ZINC000217558316	496998234	/nfs/dbraw/zinc/99/82/34/496998234.db2.gz	UHBXVVFJNSQCJE-LBPRGKRZSA-N	-1	0	354.472	3.206	40	0		FGABRM
Cc1nn(CC(=O)[O-])c(C)c1[C@@H]1CCCCCN1C(=O)OC(C)(C)C	ZINC000217459750	496998590	/nfs/dbraw/zinc/99/85/90/496998590.db2.gz	HYUMZARXHXZTFT-AWEZNQCLSA-N	-1	0	351.447	3.437	40	0		FGABRM
O=C([O-])[C@H]1[C@@H](C(=O)Nc2ccccc2Oc2ccccc2)[C@H]2C=C[C@@H]1O2	ZINC000222435692	497023625	/nfs/dbraw/zinc/02/36/25/497023625.db2.gz	NXZHFGKDCHEKME-VSZNYVQBSA-N	-1	0	351.358	3.072	40	0		FGABRM
CCCSc1nnc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)s1	ZINC000224948018	497054546	/nfs/dbraw/zinc/05/45/46/497054546.db2.gz	WRNYJCBACLRXTF-UHFFFAOYSA-N	-1	0	373.525	3.466	40	0		FGABRM
O=C([O-])CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccs1	ZINC000225126383	497057578	/nfs/dbraw/zinc/05/75/78/497057578.db2.gz	CLXIORQQICEJGY-UHFFFAOYSA-N	-1	0	365.354	3.047	40	0		FGABRM
CCSc1nnc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)s1	ZINC000225454427	497063818	/nfs/dbraw/zinc/06/38/18/497063818.db2.gz	XJABQPOTZGGVGH-UHFFFAOYSA-N	-1	0	359.498	3.076	40	0		FGABRM
CC(C)(C)C(=O)N1CC[C@@H](Cc2cc(-c3cccc(C(=O)[O-])c3)ncn2)C1	ZINC000257236310	497393111	/nfs/dbraw/zinc/39/31/11/497393111.db2.gz	HBODOAHHVKEABL-AWEZNQCLSA-N	-1	0	367.449	3.279	40	0		FGABRM
Nc1nccc([C@@H]2CCC[N@@H+]2Cc2ccc(-c3ccccc3C(=O)[O-])o2)n1	ZINC000257277107	497398289	/nfs/dbraw/zinc/39/82/89/497398289.db2.gz	NWLQFPOHKYZDDC-KRWDZBQOSA-N	-1	0	364.405	3.354	40	0		FGABRM
COc1ccc(OC)c(C(=O)CCC(=O)Nc2ccc(C(=O)[O-])cc2)c1	ZINC000408820946	499595324	/nfs/dbraw/zinc/59/53/24/499595324.db2.gz	AUBCSITXASHMOP-UHFFFAOYSA-N	-1	0	357.362	3.004	40	0		FGABRM
CC[C@H](C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1ccccc1	ZINC000217471449	524007329	/nfs/dbraw/zinc/00/73/29/524007329.db2.gz	SELVFOVEBMJOSO-ZDUSSCGKSA-N	-1	0	362.451	3.074	40	0		FGABRM
O=C([O-])c1ccc(NCc2ccco2)c(S(=O)(=O)Nc2ccccc2)c1	ZINC000217505181	526379866	/nfs/dbraw/zinc/37/98/66/526379866.db2.gz	KCAMUIPSXTZBNT-UHFFFAOYSA-N	-1	0	372.402	3.391	40	0		FGABRM
O=C([O-])c1cc2ccc(I)cc2nc1OCC1CC1	ZINC000685937674	571319051	/nfs/dbraw/zinc/31/90/51/571319051.db2.gz	XACNMXLPOMECSN-UHFFFAOYSA-N	-1	0	369.158	3.326	40	0		FGABRM
CCCc1ccc2c(N)c3c(=O)n(-c4ccc(C)cc4)c([O-])c-3sc2n1	ZINC000261526767	210007006	/nfs/dbraw/zinc/00/70/06/210007006.db2.gz	JVDOWEFOQZXGCT-KRWDZBQOSA-N	-1	0	365.458	3.060	40	0		FGABRM
O=C([O-])c1ccc(C[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)cc1	ZINC000257257047	209979743	/nfs/dbraw/zinc/97/97/43/209979743.db2.gz	KNWLJXIJIJIEIV-SFHVURJKSA-N	-1	0	369.417	3.213	40	0		FGABRM
CCn1c2cc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3)cc2oc1=O	ZINC000223361358	209758242	/nfs/dbraw/zinc/75/82/42/209758242.db2.gz	ZSIZHHBVXNFBAS-UHFFFAOYSA-N	-1	0	366.826	3.377	40	0		FGABRM
C[C@@H]1C[C@@H](O)[C@@H]2[C@@](C)(C(=O)[O-])CCC[C@]2(C)[C@]1(O)CCc1ccoc1	ZINC000104360354	209261600	/nfs/dbraw/zinc/26/16/00/209261600.db2.gz	XNJHGRHUXRWGMG-XGLQPTFZSA-N	-1	0	350.455	3.241	40	0		FGABRM
COc1cc(CCc2cc(=O)n3[n-]cc(-c4ccc(C)cc4)c3n2)on1	ZINC000100776290	209217805	/nfs/dbraw/zinc/21/78/05/209217805.db2.gz	NQNFBSUIBPPMRT-UHFFFAOYSA-N	-1	0	350.378	3.192	40	0		FGABRM
CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1	ZINC000004241757	207009331	/nfs/dbraw/zinc/00/93/31/207009331.db2.gz	GKUSLBONTUGQJI-CQSZACIVSA-N	-1	0	354.834	3.018	40	0		FGABRM
O=C([O-])C1(C[C@@H]2CC(c3cccc(Br)c3)=NO2)CCOCC1	ZINC000012157461	207344258	/nfs/dbraw/zinc/34/42/58/207344258.db2.gz	WKEDLVBBAZKLPL-ZDUSSCGKSA-N	-1	0	368.227	3.214	40	0		FGABRM
CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000012496397	207383390	/nfs/dbraw/zinc/38/33/90/207383390.db2.gz	VKTIONYPMSCHQI-XAGFEHLVSA-N	-1	0	354.487	3.475	40	0	endogenous,in-man	FGABRM
CCOc1ccc(-c2nnc(NC(=O)c3ccccc3C(=O)[O-])o2)cc1	ZINC000020496015	207740165	/nfs/dbraw/zinc/74/01/65/207740165.db2.gz	AIPRSKOFIASGEG-UHFFFAOYSA-N	-1	0	353.334	3.086	40	0		FGABRM
O=C(Cc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1	ZINC000038755198	208205943	/nfs/dbraw/zinc/20/59/43/208205943.db2.gz	ODSCYENLULAHNM-UHFFFAOYSA-N	-1	0	367.430	3.064	40	0		FGABRM
O=C([O-])c1ccccc1C(=O)Nc1ccccc1I	ZINC000035123663	263397786	/nfs/dbraw/zinc/39/77/86/263397786.db2.gz	RFDXHLAOSNZUMP-UHFFFAOYSA-N	-1	0	367.142	3.242	40	0		FGABRM
C[C@H](C(=O)c1ccc(O)cc1)[C@@]1(O)C(=O)Nc2c1cc(Cl)cc2Cl	ZINC000001624345	493796350	/nfs/dbraw/zinc/79/63/50/493796350.db2.gz	ARAHZOQFRZLIQU-RBHXEPJQSA-N	-1	0	366.200	3.358	40	0		FGABRM
C[N@H+](CC[C@@](CCC(=O)[O-])(C(=O)[O-])c1ccccc1)Cc1ccccc1	ZINC000001578010	493796902	/nfs/dbraw/zinc/79/69/02/493796902.db2.gz	NARCJWCIGKFDEN-OAQYLSRUSA-N	-1	0	355.434	3.396	40	0		FGABRM
C[C@H](C(=O)c1ccc(O)cc1)[C@]1(O)C(=O)Nc2c1cc(Cl)cc2Cl	ZINC000001624343	493796930	/nfs/dbraw/zinc/79/69/30/493796930.db2.gz	ARAHZOQFRZLIQU-CQLKUDPESA-N	-1	0	366.200	3.358	40	0		FGABRM
Cc1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)[n-]c1=O	ZINC000004902632	493900238	/nfs/dbraw/zinc/90/02/38/493900238.db2.gz	TTZMZPYHDNFKIL-UHFFFAOYSA-N	-1	0	352.419	3.283	40	0		FGABRM
O=C([O-])CSc1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1	ZINC000059501369	493907161	/nfs/dbraw/zinc/90/71/61/493907161.db2.gz	BRTSNMOMUKSBPS-UHFFFAOYSA-N	-1	0	370.411	3.274	40	0		FGABRM
CCNC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cs1	ZINC000006681645	493975385	/nfs/dbraw/zinc/97/53/85/493975385.db2.gz	YPJZKPPWCYMUKT-UHFFFAOYSA-N	-1	0	352.481	3.224	40	0		FGABRM
CSc1cccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1	ZINC000008104915	494067485	/nfs/dbraw/zinc/06/74/85/494067485.db2.gz	NMWAHBSANNSQKB-UHFFFAOYSA-N	-1	0	351.449	3.227	40	0		FGABRM
CCc1nnc([N-]c2cc([C@@H]3CCCN3c3ccncn3)nc(C)n2)s1	ZINC000072360379	494158638	/nfs/dbraw/zinc/15/86/38/494158638.db2.gz	JJYZEYFWHVIOKE-ZDUSSCGKSA-N	-1	0	368.470	3.074	40	0		FGABRM
O=C([O-])c1cccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)c1	ZINC000013341120	494285732	/nfs/dbraw/zinc/28/57/32/494285732.db2.gz	LSDVWNBTVMFKCT-UHFFFAOYSA-N	-1	0	367.426	3.453	40	0		FGABRM
Cc1cccc(N[C@H]2CC(=O)N(c3cc(C(=O)[O-])ccc3C)C2=O)c1C	ZINC000016901128	494404112	/nfs/dbraw/zinc/40/41/12/494404112.db2.gz	PVJLIANVYVUPTQ-INIZCTEOSA-N	-1	0	352.390	3.054	40	0		FGABRM
CCn1cnc2cc([N-]S(=O)(=O)c3cn(CC(C)C)nc3C)ccc21	ZINC000019578332	494450887	/nfs/dbraw/zinc/45/08/87/494450887.db2.gz	IJBBLIWGMNIWCV-UHFFFAOYSA-N	-1	0	361.471	3.018	40	0		FGABRM
O=C([O-])c1ccc(NC(=O)c2cncc(Br)c2)cc1Cl	ZINC000020143506	494467820	/nfs/dbraw/zinc/46/78/20/494467820.db2.gz	FGOYMIRTMRGIDM-UHFFFAOYSA-N	-1	0	355.575	3.448	40	0		FGABRM
Cc1ccc(C(=O)NC(=S)NCc2ccc(C(=O)[O-])cc2)cc1Cl	ZINC000020152315	494468873	/nfs/dbraw/zinc/46/88/73/494468873.db2.gz	FRWQQKDJQIDDHK-UHFFFAOYSA-N	-1	0	362.838	3.151	40	0		FGABRM
O=C([O-])CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000113892560	495333711	/nfs/dbraw/zinc/33/37/11/495333711.db2.gz	ORIZPXCXNHJCMJ-UHFFFAOYSA-N	-1	0	374.245	3.269	40	0		FGABRM
CCCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1N[C@H](C)CCC	ZINC000217517414	496998530	/nfs/dbraw/zinc/99/85/30/496998530.db2.gz	YVMOOWKIEMOONI-CYBMUJFWSA-N	-1	0	356.488	3.454	40	0		FGABRM
CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1NCCC(C)C	ZINC000217527572	496998624	/nfs/dbraw/zinc/99/86/24/496998624.db2.gz	HNPDZRIGJLBZPC-CYBMUJFWSA-N	-1	0	356.488	3.310	40	0		FGABRM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]c2ccccc2C(C)C)s1	ZINC000223284966	497035436	/nfs/dbraw/zinc/03/54/36/497035436.db2.gz	VDQQMRRFQNTTDW-UHFFFAOYSA-N	-1	0	368.484	3.057	40	0		FGABRM
COc1ccc(S(=O)(=O)[N-]c2nnc(SC)s2)cc1C(C)C	ZINC000223346790	497036721	/nfs/dbraw/zinc/03/67/21/497036721.db2.gz	GZOVRIACARSVDU-UHFFFAOYSA-N	-1	0	359.498	3.193	40	0		FGABRM
CC(C)CSc1nnc([N-]S(=O)(=O)Cc2ccc(F)cc2)s1	ZINC000223660213	497040967	/nfs/dbraw/zinc/04/09/67/497040967.db2.gz	NYZCKCXMMZVNBF-UHFFFAOYSA-N	-1	0	361.489	3.367	40	0		FGABRM
COC(=O)c1cc([N-]S(=O)(=O)c2cc(F)ccc2OC)ccc1Cl	ZINC000223691764	497041556	/nfs/dbraw/zinc/04/15/56/497041556.db2.gz	SFOKLVDLISWVMK-UHFFFAOYSA-N	-1	0	373.789	3.075	40	0		FGABRM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC(C)C)ccc1C	ZINC000223825531	497042785	/nfs/dbraw/zinc/04/27/85/497042785.db2.gz	OROXIUFQRVVBFV-UHFFFAOYSA-N	-1	0	363.435	3.370	40	0		FGABRM
CCSc1nnc([N-]S(=O)(=O)c2ccc(OC)c(CC)c2)s1	ZINC000225030865	497055330	/nfs/dbraw/zinc/05/53/30/497055330.db2.gz	XXGIDVSRIYDZHQ-UHFFFAOYSA-N	-1	0	359.498	3.022	40	0		FGABRM
Cc1cc2nc(C3CCN(C(=O)c4ccc(C)s4)CC3)cc(=O)n2[n-]1	ZINC000257244605	497394611	/nfs/dbraw/zinc/39/46/11/497394611.db2.gz	IMBPOLPICBAVNS-UHFFFAOYSA-N	-1	0	356.451	3.133	40	0		FGABRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)cc1-n1cccc1	ZINC000257260612	497396171	/nfs/dbraw/zinc/39/61/71/497396171.db2.gz	LDPGNCURNNZLQF-UHFFFAOYSA-N	-1	0	358.394	3.044	40	0		FGABRM
O=C([O-])c1ccccc1-n1cc(CN2CCCC[C@@H]2c2cc[nH]n2)cn1	ZINC000257312094	497402292	/nfs/dbraw/zinc/40/22/92/497402292.db2.gz	UMMXSBCNPVEFKL-GOSISDBHSA-N	-1	0	351.410	3.021	40	0		FGABRM
Cc1ccccc1NC(=O)[C@@H](Cc1ccccc1)[N-]C(=O)C(F)(F)F	ZINC000408719477	499594474	/nfs/dbraw/zinc/59/44/74/499594474.db2.gz	FAXVZBXUDZUMGC-OAHLLOKOSA-N	-1	0	350.340	3.223	40	0		FGABRM
CCC[C@H](C)NS(=O)(=O)c1ccc(NCc2ccco2)c(C(=O)[O-])c1	ZINC000217659635	521062290	/nfs/dbraw/zinc/06/22/90/521062290.db2.gz	WATVTFMIAXNBTH-LBPRGKRZSA-N	-1	0	366.439	3.057	40	0		FGABRM
O=C([O-])c1cc2cc(I)ccc2nc1OCC1CC1	ZINC000685937334	571318962	/nfs/dbraw/zinc/31/89/62/571318962.db2.gz	NOWFYXUKWNLOSL-UHFFFAOYSA-N	-1	0	369.158	3.326	40	0		FGABRM
CC[C@H](C)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1C(=O)[O-]	ZINC000217578662	209658445	/nfs/dbraw/zinc/65/84/45/209658445.db2.gz	OUXWCZJJHRYDCY-LBPRGKRZSA-N	-1	0	354.472	3.206	40	0		FGABRM
COc1ccc([C@@H]2OC3=Nc4cc(C)c(C)cc4N[C@@H]3C2=O)cc1OC	ZINC000104239741	209260228	/nfs/dbraw/zinc/26/02/28/209260228.db2.gz	NZFHAWCEYPEAQD-MJGOQNOKSA-N	-1	0	352.390	3.485	40	0		FGABRM
CC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1c([O-])c2ccccc2oc1=O	ZINC000104181532	209260096	/nfs/dbraw/zinc/26/00/96/209260096.db2.gz	AXHUDFAOFSLOGU-AWEZNQCLSA-N	-1	0	352.342	3.338	40	0		FGABRM
Cc1ccc(N2C(=O)S[C@@H](N(CC(=O)[O-])c3ccccc3)C2=O)cc1	ZINC000004798390	207049864	/nfs/dbraw/zinc/04/98/64/207049864.db2.gz	MKJYINCQBHHEFQ-QGZVFWFLSA-N	-1	0	356.403	3.112	40	0		FGABRM
CCC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC(=O)O[C@@H]3[C@](C)(CCC(=O)[O-])C[C@@]21C	ZINC000004896389	207059593	/nfs/dbraw/zinc/05/95/93/207059593.db2.gz	MVEKQKDGIZGWCM-QDPBXTTQSA-N	-1	0	366.454	3.321	40	0		FGABRM
COc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H](C(=O)[O-])N1C(C)=O	ZINC000005378159	207097562	/nfs/dbraw/zinc/09/75/62/207097562.db2.gz	FBUGOKAFLIOBAK-XLIONFOSSA-N	-1	0	364.401	3.124	40	0		FGABRM
Cc1scc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1C	ZINC000012117135	207339082	/nfs/dbraw/zinc/33/90/82/207339082.db2.gz	YISYADTWAICSDD-UHFFFAOYSA-N	-1	0	354.478	3.079	40	0		FGABRM
COc1ccc(NC(=O)COc2cc(Cl)ccc2C(=O)[O-])c(OC)c1	ZINC000013085393	207450040	/nfs/dbraw/zinc/45/00/40/207450040.db2.gz	ONPGOPUCEQMAQF-UHFFFAOYSA-N	-1	0	365.769	3.073	40	0		FGABRM
CCCCC[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@H]2O/C(=C/CCCC(=O)[O-])C[C@@H]21	ZINC000033838837	208100461	/nfs/dbraw/zinc/10/04/61/208100461.db2.gz	KAQKFAOMNZTLHT-MUNOVMNLSA-N	-1	0	352.471	3.409	40	0		FGABRM
O=C([O-])[C@H]1C[C@@H](F)CN1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000035529532	208129840	/nfs/dbraw/zinc/12/98/40/208129840.db2.gz	CJEQUGHYFSTTQT-KZULUSFZSA-N	-1	0	355.365	3.433	40	0		FGABRM
O=C([O-])[C@H]1COC2(CCCCC2)N1C(=O)c1ccccc1C(F)(F)F	ZINC000071979790	208792385	/nfs/dbraw/zinc/79/23/85/208792385.db2.gz	FATZCFUDGRSHTM-CYBMUJFWSA-N	-1	0	357.328	3.291	40	0		FGABRM
COc1ccc(-n2nc(C(=O)[O-])cc2-c2cc(OC)ccc2OC)cc1	ZINC000059472459	263420306	/nfs/dbraw/zinc/42/03/06/263420306.db2.gz	AOIQONCITWZVMA-UHFFFAOYSA-N	-1	0	354.362	3.263	40	0		FGABRM
COc1ccccc1[C@H]1CC(c2cccs2)=NN1C(=O)CCC(=O)[O-]	ZINC000004950921	493903814	/nfs/dbraw/zinc/90/38/14/493903814.db2.gz	NWLKPUGCNUDJTP-CQSZACIVSA-N	-1	0	358.419	3.299	40	0		FGABRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)/C=C/c1cccc(Br)c1	ZINC000062715366	494021541	/nfs/dbraw/zinc/02/15/41/494021541.db2.gz	CEGIBTLRXPKYMZ-SCOAYWHSSA-N	-1	0	374.234	3.274	40	0		FGABRM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c2ccccc12	ZINC000008116133	494068180	/nfs/dbraw/zinc/06/81/80/494068180.db2.gz	GJIGAYGHCUUAFP-ATVHPVEESA-N	-1	0	364.401	3.253	40	0		FGABRM
Cc1ccc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc1	ZINC000008372374	494087517	/nfs/dbraw/zinc/08/75/17/494087517.db2.gz	FWVWHTKGPBQGBF-UHFFFAOYSA-N	-1	0	365.429	3.493	40	0		FGABRM
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@H]1CCCCCCC(=O)[O-]	ZINC000038321544	494112641	/nfs/dbraw/zinc/11/26/41/494112641.db2.gz	DZUXGQBLFALXCR-PUCCXBQTSA-N	-1	0	356.503	3.267	40	0	in-vitro	FGABRM
O=C(CCc1ccccc1)N1CCC[C@@H]1c1ccnc([N-]c2ncccn2)n1	ZINC000072377692	494159962	/nfs/dbraw/zinc/15/99/62/494159962.db2.gz	LJLYMKVWMOXXKI-GOSISDBHSA-N	-1	0	374.448	3.307	40	0		FGABRM
CCCOc1ccc(S(=O)(=O)[N-]c2ncccc2C)cc1OCCC	ZINC000072414227	494168403	/nfs/dbraw/zinc/16/84/03/494168403.db2.gz	DNNGMOSGEFKKOJ-UHFFFAOYSA-N	-1	0	364.467	3.190	40	0		FGABRM
CCOC(=O)c1ccc(Nc2nnc(Cc3ccccc3)c(=O)[n-]2)cc1	ZINC000016777344	494401417	/nfs/dbraw/zinc/40/14/17/494401417.db2.gz	OSFOXXYIUBGWTI-UHFFFAOYSA-N	-1	0	350.378	3.088	40	0		FGABRM
Cc1ccc([C@@H](c2sc3ncnn3c2[O-])N2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000022609281	494528716	/nfs/dbraw/zinc/52/87/16/494528716.db2.gz	JIYOWBWYOHODME-NFAWXSAZSA-N	-1	0	358.467	3.003	40	0		FGABRM
COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)c1	ZINC000026528648	494830337	/nfs/dbraw/zinc/83/03/37/494830337.db2.gz	VPOCVDPXGSOYDH-UHFFFAOYSA-N	-1	0	367.810	3.130	40	0		FGABRM
O=C([O-])CN(CCc1ccccc1)C(=O)c1ccccc1Br	ZINC000178135785	496342792	/nfs/dbraw/zinc/34/27/92/496342792.db2.gz	USZRDEQAFWMCAF-UHFFFAOYSA-N	-1	0	362.223	3.219	40	0		FGABRM
CC(C)CNc1ccc(C(=O)[O-])cc1S(=O)(=O)NC1CCCCCC1	ZINC000217450233	496998373	/nfs/dbraw/zinc/99/83/73/496998373.db2.gz	JEWLQIJORZHNNZ-UHFFFAOYSA-N	-1	0	368.499	3.454	40	0		FGABRM
CC(C)(C)NS(=O)(=O)c1ccc(NC2CCCCC2)c(C(=O)[O-])c1	ZINC000217564214	496998471	/nfs/dbraw/zinc/99/84/71/496998471.db2.gz	DPOGPJFZGHTKQI-UHFFFAOYSA-N	-1	0	354.472	3.206	40	0		FGABRM
CCC[C@@H](C)NS(=O)(=O)c1ccc(NCCC(C)C)c(C(=O)[O-])c1	ZINC000217661313	496999398	/nfs/dbraw/zinc/99/93/98/496999398.db2.gz	NYBVYZXUXRYALD-CYBMUJFWSA-N	-1	0	356.488	3.310	40	0		FGABRM
COc1ccc2cc(S(=O)(=O)[N-]c3nnc(SC)s3)ccc2c1	ZINC000223447286	497037468	/nfs/dbraw/zinc/03/74/68/497037468.db2.gz	WCIGTTXOZUMKKR-UHFFFAOYSA-N	-1	0	367.477	3.223	40	0		FGABRM
CCSc1nnc([N-]S(=O)(=O)c2cc(Cl)ccc2OC)s1	ZINC000224869161	497053092	/nfs/dbraw/zinc/05/30/92/497053092.db2.gz	UWQQKTARRYMQCX-UHFFFAOYSA-N	-1	0	365.889	3.113	40	0		FGABRM
COc1cc(C)c(S(=O)(=O)[N-]c2nnc(SC(C)C)s2)cc1C	ZINC000225733778	497072558	/nfs/dbraw/zinc/07/25/58/497072558.db2.gz	MEAIVEJBSRGTFH-UHFFFAOYSA-N	-1	0	373.525	3.465	40	0		FGABRM
O=C(C[C@H]1C=CCC1)N1CCC(c2cncc(Nc3ncccn3)n2)CC1	ZINC000257224228	497391691	/nfs/dbraw/zinc/39/16/91/497391691.db2.gz	FAWJHRRBTJOEQV-HNNXBMFYSA-N	-1	0	364.453	3.073	40	0		FGABRM
Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)ccc1-n1cccc1	ZINC000257319014	497402456	/nfs/dbraw/zinc/40/24/56/497402456.db2.gz	VQILJZDNIUZXFY-UHFFFAOYSA-N	-1	0	358.394	3.044	40	0		FGABRM
CNc1nc(Nc2cc(Cl)c([O-])c(Cl)c2)cc(-c2ccncc2)n1	ZINC000328998541	499010885	/nfs/dbraw/zinc/01/08/85/499010885.db2.gz	JSIKURVCBHAXDI-UHFFFAOYSA-N	-1	0	362.220	3.180	40	0		FGABRM
O=C([O-])CNc1nc(Nc2ccc(F)cc2Cl)cc(-c2ccccc2)n1	ZINC000329055468	499028292	/nfs/dbraw/zinc/02/82/92/499028292.db2.gz	VOOOUDVLASXCFF-UHFFFAOYSA-N	-1	0	372.787	3.020	40	0		FGABRM
CN(CC(=O)[O-])C(=O)c1ccc2c(c1)C[C@@](C)(Cc1ccc(Cl)cc1)O2	ZINC000257316644	517920557	/nfs/dbraw/zinc/92/05/57/517920557.db2.gz	VGLGTTBUIZEVIV-HXUWFJFHSA-N	-1	0	373.836	3.433	40	0		FGABRM
CCC[C@@H](C)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)[O-]	ZINC000217628887	520668162	/nfs/dbraw/zinc/66/81/62/520668162.db2.gz	ITHWSIIPGMYNKD-GFCCVEGCSA-N	-1	0	366.439	3.057	40	0		FGABRM
O=C([O-])c1cc(S(=O)(=O)NC2CC2)ccc1NCCC1=CCCCC1	ZINC000217571895	526355859	/nfs/dbraw/zinc/35/58/59/526355859.db2.gz	OQCDUHDUDRNUDD-UHFFFAOYSA-N	-1	0	364.467	3.128	40	0		FGABRM
CCCN1C(=O)N/C(=C/c2cc(Cl)cc(Br)c2[O-])C1=O	ZINC000409240637	570743514	/nfs/dbraw/zinc/74/35/14/570743514.db2.gz	USCWKTLASAYCGI-BJMVGYQFSA-N	-1	0	359.607	3.111	40	0		FGABRM
CC(C)c1ccc(OCC(=O)NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1	ZINC000006569594	570783221	/nfs/dbraw/zinc/78/32/21/570783221.db2.gz	MUUFMGSNNQASRZ-UHFFFAOYSA-N	-1	0	372.446	3.400	40	0		FGABRM
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2OC[C@H](CCCCC(=O)[O-])[C@H]12	ZINC000263615187	210006417	/nfs/dbraw/zinc/00/64/17/210006417.db2.gz	BBIWXADUFWNKMQ-CIGBWPAYSA-N	-1	0	354.487	3.141	40	0		FGABRM
CN(CC(=O)[O-])C(=O)c1ccc2c(c1)C[C@](C)(Cc1ccc(Cl)cc1)O2	ZINC000257316643	209996190	/nfs/dbraw/zinc/99/61/90/209996190.db2.gz	VGLGTTBUIZEVIV-FQEVSTJZSA-N	-1	0	373.836	3.433	40	0		FGABRM
CC(C)(C)C(=O)N1CC[C@H](Cc2nccnc2-c2ccc(C(=O)[O-])cc2)C1	ZINC000257216003	209965442	/nfs/dbraw/zinc/96/54/42/209965442.db2.gz	CSPVIWHDKFOXTR-CQSZACIVSA-N	-1	0	367.449	3.279	40	0		FGABRM
Cc1cccc(OCc2nnc(SCC(=O)[O-])n2-c2ccccc2)c1	ZINC000000976870	209384084	/nfs/dbraw/zinc/38/40/84/209384084.db2.gz	ZQNORKRPZMRMTF-UHFFFAOYSA-N	-1	0	355.419	3.331	40	0		FGABRM
Cc1ccccc1OCc1nnc(SCC(=O)[O-])n1-c1ccc(F)cc1	ZINC000000904790	209381375	/nfs/dbraw/zinc/38/13/75/209381375.db2.gz	MYWVKPRLEJXEKY-UHFFFAOYSA-N	-1	0	373.409	3.471	40	0		FGABRM
COc1cc([C@H]2N[C@H](C(=O)[O-])CS2)ccc1OCc1ccc(F)cc1	ZINC000000807742	209377660	/nfs/dbraw/zinc/37/76/60/209377660.db2.gz	LWDWLSYLSWKUCE-YOEHRIQHSA-N	-1	0	363.410	3.202	40	0		FGABRM
Cc1ccc(N2C(=O)S[C@H](N(CC(=O)[O-])c3ccccc3)C2=O)cc1	ZINC000004798392	207049870	/nfs/dbraw/zinc/04/98/70/207049870.db2.gz	MKJYINCQBHHEFQ-KRWDZBQOSA-N	-1	0	356.403	3.112	40	0		FGABRM
Cc1sc(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])nc1-c1ccc(C)cc1	ZINC000005794914	207117551	/nfs/dbraw/zinc/11/75/51/207117551.db2.gz	HXFJUGYORBSKGD-BARDWOONSA-N	-1	0	372.446	3.244	40	0		FGABRM
Cc1nc([N-]c2nc3ccccc3o2)nc(C)c1C(=O)NCc1ccccn1	ZINC000010157621	207296197	/nfs/dbraw/zinc/29/61/97/207296197.db2.gz	VHUSVBQGDKECPU-UHFFFAOYSA-N	-1	0	374.404	3.303	40	0		FGABRM
Cc1ncccc1C(=O)N1CCCC[C@H]1c1cc2nc(C)c(C)c(=O)n2[n-]1	ZINC000012337815	207363816	/nfs/dbraw/zinc/36/38/16/207363816.db2.gz	XGMFIILMZJGMAW-KRWDZBQOSA-N	-1	0	365.437	3.123	40	0		FGABRM
CC(C)(C)OC(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2cc3ccccc3o2)C1	ZINC000095627617	209085099	/nfs/dbraw/zinc/08/50/99/209085099.db2.gz	UAPKFNWHBNHYLU-BBRMVZONSA-N	-1	0	360.410	3.158	40	0		FGABRM
O=C([O-])[C@@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1	ZINC000049466859	493874632	/nfs/dbraw/zinc/87/46/32/493874632.db2.gz	UDRJSCLXUBYWKD-KFKAGJAMSA-N	-1	0	351.402	3.231	40	0		FGABRM
COc1ccc(-c2nc(N)cc(Nc3cccc(C(=O)[O-])c3)n2)cc1OC	ZINC000049468236	493874863	/nfs/dbraw/zinc/87/48/63/493874863.db2.gz	GGRZCPBDPIEGAM-UHFFFAOYSA-N	-1	0	366.377	3.185	40	0		FGABRM
CCc1ccc(N2C(=O)/C(=C/c3ccc(F)cc3)C(=O)[N-]C2=S)cc1	ZINC000006168774	493953766	/nfs/dbraw/zinc/95/37/66/493953766.db2.gz	DVRLSEOTQKSUBF-LFIBNONCSA-N	-1	0	354.406	3.219	40	0		FGABRM
Cc1n[nH]c(SC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[O-])n1	ZINC000006588300	493969430	/nfs/dbraw/zinc/96/94/30/493969430.db2.gz	QVLBYUSIMTVXJR-ZSOIEALJSA-N	-1	0	372.362	3.499	40	0		FGABRM
Cc1ccc(N2C[C@H](C(=O)Nc3cccc(C(=O)[O-])c3)CC2=O)cc1Cl	ZINC000007881783	494049568	/nfs/dbraw/zinc/04/95/68/494049568.db2.gz	XOJSKFGYAJTDDY-CYBMUJFWSA-N	-1	0	372.808	3.338	40	0		FGABRM
COc1ccc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(OC)c1C	ZINC000033702342	494062082	/nfs/dbraw/zinc/06/20/82/494062082.db2.gz	JEJWMQQOCFWVJS-NTEUORMPSA-N	-1	0	370.361	3.108	40	0		FGABRM
CCOC(=O)C1=NN(c2ccc(Oc3ccccc3)cc2)[C@](C)(C(=O)[O-])C1	ZINC000071979624	494113268	/nfs/dbraw/zinc/11/32/68/494113268.db2.gz	XEKZGRNUWOMIPI-FQEVSTJZSA-N	-1	0	368.389	3.451	40	0		FGABRM
COc1ccc(NC(=O)COc2ccc(C(=O)[O-])cc2Cl)c(OC)c1	ZINC000013084986	494277919	/nfs/dbraw/zinc/27/79/19/494277919.db2.gz	RDIPXPAZGRZWET-UHFFFAOYSA-N	-1	0	365.769	3.073	40	0		FGABRM
NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Oc2ccccc2)cc1	ZINC000044845670	494383161	/nfs/dbraw/zinc/38/31/61/494383161.db2.gz	MYEXOFKYNCTFHU-UHFFFAOYSA-N	-1	0	368.414	3.379	40	0		FGABRM
Cc1ccc(C(=O)[O-])cc1N1C(=O)C[C@H](Nc2ccc(Cl)cc2)C1=O	ZINC000016901154	494403351	/nfs/dbraw/zinc/40/33/51/494403351.db2.gz	ABRVYFRTHXVKRO-AWEZNQCLSA-N	-1	0	358.781	3.091	40	0		FGABRM
CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)cc1	ZINC000026527396	494830533	/nfs/dbraw/zinc/83/05/33/494830533.db2.gz	PPGHHOSMKLCDTG-UHFFFAOYSA-N	-1	0	369.826	3.326	40	0		FGABRM
O=C([O-])CCCCCC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)Cc1ccccc1	ZINC000027639872	494878911	/nfs/dbraw/zinc/87/89/11/494878911.db2.gz	WDKPQDFHBMGHOW-ABXFKLLGSA-N	-1	0	374.477	3.138	40	0	in-vitro	FGABRM
O=C([O-])[C@H]1[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218551596	497003703	/nfs/dbraw/zinc/00/37/03/497003703.db2.gz	BBGKUGWNEADOPG-ILXRZTDVSA-N	-1	0	354.786	3.120	40	0		FGABRM
O=C([O-])[C@H](Cc1ccc(I)cc1)Oc1ccccc1	ZINC000225067357	497056173	/nfs/dbraw/zinc/05/61/73/497056173.db2.gz	XEWGDUSJIGKDFN-AWEZNQCLSA-N	-1	0	368.170	3.366	40	0		FGABRM
CC(C)(C)C(=O)c1cc(C(=O)[O-])c(=O)n(-c2cc(Cl)ccc2Cl)n1	ZINC000225968313	497079487	/nfs/dbraw/zinc/07/94/87/497079487.db2.gz	XGRNLHMNKBQKGO-UHFFFAOYSA-N	-1	0	369.204	3.466	40	0		FGABRM
CCN(Cc1ccccc1)c1nn(-c2ccccc2OC)nc1C(=O)[O-]	ZINC000256048289	497382922	/nfs/dbraw/zinc/38/29/22/497382922.db2.gz	RZLHTOYRCDAVEM-UHFFFAOYSA-N	-1	0	352.394	3.001	40	0		FGABRM
CC(C)n1cnc2cc(C(=O)N(CCc3ccccc3)CC(=O)[O-])ccc21	ZINC000257294557	528618329	/nfs/dbraw/zinc/61/83/29/528618329.db2.gz	QURPSFMXADLRPU-UHFFFAOYSA-N	-1	0	365.433	3.387	40	0		FGABRM
O=C([O-])c1ccc(NC(=S)NC(=O)c2ccc3ccccc3c2)cc1O	ZINC000020152255	570913131	/nfs/dbraw/zinc/91/31/31/570913131.db2.gz	ANADXNBFBKITNN-UHFFFAOYSA-N	-1	0	366.398	3.370	40	0		FGABRM
COc1ccc(-c2noc([C@@H](C)NC(=O)C3CCCC3)c2C(=O)[O-])cc1	ZINC000096296928	209888980	/nfs/dbraw/zinc/88/89/80/209888980.db2.gz	UUJBEYBEVMNGGM-LLVKDONJSA-N	-1	0	358.394	3.416	40	0	biogenic,in-vitro	FGABRM
CC(C)(C)C(=O)c1cc(C(=O)[O-])c(=O)n(-c2ccc(Cl)c(Cl)c2)n1	ZINC000225968334	209844858	/nfs/dbraw/zinc/84/48/58/209844858.db2.gz	HOLPRQPSDFSXFS-UHFFFAOYSA-N	-1	0	369.204	3.466	40	0		FGABRM
COc1ccc(NC(=O)CSc2nnc(-c3ccccc3O)o2)cc1	ZINC000000849769	209378666	/nfs/dbraw/zinc/37/86/66/209378666.db2.gz	LOZODEFFAHXWMF-UHFFFAOYSA-N	-1	0	357.391	3.182	40	0		FGABRM
O=C(C=C([O-])c1cccc(I)c1)c1ccccc1O	ZINC000113704397	209339179	/nfs/dbraw/zinc/33/91/79/209339179.db2.gz	JMBPRCRWWORAEU-UHFFFAOYSA-N	-1	0	366.154	3.453	40	0		FGABRM
O=C([O-])C1=Nc2nc(SCc3ccccc3)nn2[C@@H](c2ccco2)C1	ZINC000102336014	209234807	/nfs/dbraw/zinc/23/48/07/209234807.db2.gz	NJQRUIHIVDLXOD-CYBMUJFWSA-N	-1	0	354.391	3.147	40	0		FGABRM
CCOC(=O)c1ccc(-c2n[n-]c3nc4sc(C)c(C)c4c(=O)n32)cc1	ZINC000100748819	209217419	/nfs/dbraw/zinc/21/74/19/209217419.db2.gz	UKEBTIPQUUAXAE-UHFFFAOYSA-N	-1	0	368.418	3.093	40	0		FGABRM
CC(C)(C)OC(=O)N1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1	ZINC000004241754	207008748	/nfs/dbraw/zinc/00/87/48/207008748.db2.gz	GKUSLBONTUGQJI-AWEZNQCLSA-N	-1	0	354.834	3.018	40	0		FGABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)N1CCC(Cc2ccccc2)CC1	ZINC000035898195	208137955	/nfs/dbraw/zinc/13/79/55/208137955.db2.gz	MPAMPYQNHQCHKW-WCIQWLHISA-N	-1	0	353.462	3.381	40	0		FGABRM
O=C([O-])[C@@H]1CC(=O)N(c2cc(C(F)(F)F)ccc2N2CCCCC2)C1	ZINC000045888130	132375336	/nfs/dbraw/zinc/37/53/36/132375336.db2.gz	NYRCOJIDYLABKT-LLVKDONJSA-N	-1	0	356.344	3.133	40	0		FGABRM
COc1ccc(-n2c(O)c(Cc3ccc(C(C)C)cc3)c(=O)[nH]c2=O)cc1	ZINC000001438774	132382086	/nfs/dbraw/zinc/38/20/86/132382086.db2.gz	JAWVWBOFGLJEBI-SFHVURJKSA-N	-1	0	366.417	3.260	40	0		FGABRM
CCc1ccc(N2C(=O)/C(=C/C=C/c3ccco3)C(=O)[N-]C2=S)cc1	ZINC000006604281	493970225	/nfs/dbraw/zinc/97/02/25/493970225.db2.gz	OBJVLMCMOVHABW-FWPHUCDGSA-N	-1	0	352.415	3.230	40	0		FGABRM
CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(Cc2ccco2)C1=O	ZINC000008196111	494074845	/nfs/dbraw/zinc/07/48/45/494074845.db2.gz	WWNSIURHKCEFDP-KWWJGWKXSA-N	-1	0	368.389	3.119	40	0		FGABRM
O=C([O-])[C@H]1COC2(CCCCC2)N1C(=O)c1cccc(C(F)(F)F)c1	ZINC000071979744	494113436	/nfs/dbraw/zinc/11/34/36/494113436.db2.gz	PEPAUCLFRGMYNM-CYBMUJFWSA-N	-1	0	357.328	3.291	40	0		FGABRM
CCOc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCC(=O)[O-]	ZINC000010119081	494143724	/nfs/dbraw/zinc/14/37/24/494143724.db2.gz	VQLRKFLRWKMLRL-SRZZPIQSSA-N	-1	0	362.813	3.326	40	0		FGABRM
Cc1ccc(N2CCN(C(=O)[C@H]3C4CCC(CC4)[C@@H]3C(=O)[O-])C[C@@H]2C)cc1	ZINC000013320945	494285380	/nfs/dbraw/zinc/28/53/80/494285380.db2.gz	ZFJYZWLKSVMHGO-ZVWUZSKRSA-N	-1	0	370.493	3.169	40	0		FGABRM
CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@@H](O)C[C@@H]1O	ZINC000013509284	494287972	/nfs/dbraw/zinc/28/79/72/494287972.db2.gz	PXGPLTODNUVGFL-ZWAKLXPCSA-N	-1	0	354.487	3.043	40	0	endogenous,in-man	FGABRM
CCCCC[C@H](O)/C=C\[C@H]1[C@H](O)C[C@@H](O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000013540342	494289353	/nfs/dbraw/zinc/28/93/53/494289353.db2.gz	PXGPLTODNUVGFL-KQAPHZSNSA-N	-1	0	354.487	3.043	40	0		FGABRM
COCc1[n-]n2c(nc(-c3cnccn3)cc2=O)c1-c1ccc(Cl)cc1	ZINC000019594264	494452440	/nfs/dbraw/zinc/45/24/40/494452440.db2.gz	NCFVQTXLCCSXIH-UHFFFAOYSA-N	-1	0	367.796	3.359	40	0		FGABRM
Cc1nc([N-]S(=O)(=O)c2ccc(Cl)cc2)nc2c1C(=O)C[C@@H](C)C2	ZINC000020633923	494478475	/nfs/dbraw/zinc/47/84/75/494478475.db2.gz	QKVWQQWDYQNXQJ-VIFPVBQESA-N	-1	0	365.842	3.004	40	0		FGABRM
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1NC(C)=O	ZINC000022259043	494518900	/nfs/dbraw/zinc/51/89/00/494518900.db2.gz	SZHFPIXUDBYPIE-UHFFFAOYSA-N	-1	0	354.815	3.108	40	0		FGABRM
CCc1ccc(-c2nc3cc(N4C[C@@H](C(=O)[O-])CC4=O)ccc3o2)cc1	ZINC000057327261	494713823	/nfs/dbraw/zinc/71/38/23/494713823.db2.gz	FXIDHRDCBIJCQQ-AWEZNQCLSA-N	-1	0	350.374	3.495	40	0		FGABRM
CCc1ccccc1N(CC(=O)[O-])S(=O)(=O)c1ccc(SC)cc1	ZINC000224973579	497054484	/nfs/dbraw/zinc/05/44/84/497054484.db2.gz	ZAPRHZRMZJOOOO-UHFFFAOYSA-N	-1	0	365.476	3.251	40	0		FGABRM
CSc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(C)cc2C)cc1	ZINC000224972046	497054641	/nfs/dbraw/zinc/05/46/41/497054641.db2.gz	YJZYDUXETYCBKW-UHFFFAOYSA-N	-1	0	365.476	3.305	40	0		FGABRM
CCSc1nnc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)s1	ZINC000224998941	497054971	/nfs/dbraw/zinc/05/49/71/497054971.db2.gz	GKYHOTIXIFLGSL-UHFFFAOYSA-N	-1	0	365.889	3.113	40	0		FGABRM
CC(C)(C)C(=O)c1cc(C(=O)[O-])c(=O)n(-c2cccc(C(F)(F)F)c2)n1	ZINC000225968403	497079522	/nfs/dbraw/zinc/07/95/22/497079522.db2.gz	FJAXZNLYZSTCHK-UHFFFAOYSA-N	-1	0	368.311	3.178	40	0		FGABRM
CC(C)(C)C(=O)N1CC[C@@H](Cc2nccnc2-c2ccc(C(=O)[O-])cc2)C1	ZINC000257216002	497391732	/nfs/dbraw/zinc/39/17/32/497391732.db2.gz	CSPVIWHDKFOXTR-AWEZNQCLSA-N	-1	0	367.449	3.279	40	0		FGABRM
O=C([O-])CNc1nc(Nc2ccc(C(F)(F)F)cc2)cc(C2CC2)n1	ZINC000329054670	499027998	/nfs/dbraw/zinc/02/79/98/499027998.db2.gz	VKJVZBLSXKZQDC-UHFFFAOYSA-N	-1	0	352.316	3.035	40	0		FGABRM
CCCCCNS(=O)(=O)c1ccc(NC2CCCC2)c(C(=O)[O-])c1	ZINC000217648716	520225716	/nfs/dbraw/zinc/22/57/16/520225716.db2.gz	BMVFZWSFWZSFIG-UHFFFAOYSA-N	-1	0	354.472	3.208	40	0		FGABRM
CCOC(=O)c1cnc([N-]c2nc(C)c3cc(OCC)ccc3n2)nc1C	ZINC000020634054	521572978	/nfs/dbraw/zinc/57/29/78/521572978.db2.gz	UTFWMFXQMCRGQG-UHFFFAOYSA-N	-1	0	367.409	3.356	40	0		FGABRM
COc1cc(C(=O)[O-])cc(OC)c1OCC(=O)Nc1ccc(Cl)cc1	ZINC000217732316	571277016	/nfs/dbraw/zinc/27/70/16/571277016.db2.gz	ZTCJAERUXUGTRX-UHFFFAOYSA-N	-1	0	365.769	3.073	40	0		FGABRM
Cc1cc(Nc2cc(C(F)(F)F)nc(NCC(=O)[O-])n2)ccc1Cl	ZINC000328962076	210126949	/nfs/dbraw/zinc/12/69/49/210126949.db2.gz	BHBPWWLADLXFSO-UHFFFAOYSA-N	-1	0	360.723	3.119	40	0		FGABRM
CC[C@@]1(C(=O)c2ccc(C)cc2)[C@H]2c3ccccc3OC(=O)[C@]21C(=O)[O-]	ZINC000002428043	219443238	/nfs/dbraw/zinc/44/32/38/219443238.db2.gz	NWAUTRNQWRTMTN-TYCQWZJGSA-N	-1	0	350.370	3.362	40	0		FGABRM
O=C([O-])c1ccccc1-n1cc(CN2CCCC[C@@H]2c2cnccn2)cn1	ZINC000257273368	223045094	/nfs/dbraw/zinc/04/50/94/223045094.db2.gz	NGGKAMWBWVVBNW-LJQANCHMSA-N	-1	0	363.421	3.088	40	0		FGABRM
CCc1c(C)nc2cc([C@@H]3CCCCN3C(=O)c3ccccn3)[n-]n2c1=O	ZINC000012161738	210923915	/nfs/dbraw/zinc/92/39/15/210923915.db2.gz	CABKSERKLYNIOF-KRWDZBQOSA-N	-1	0	365.437	3.068	40	0		FGABRM
O=C([O-])[C@H]1CN(C(=O)c2ccc(Cl)cc2Cl)c2ccccc2O1	ZINC000013434757	132306735	/nfs/dbraw/zinc/30/67/35/132306735.db2.gz	FDCWBANAVBNQHU-CQSZACIVSA-N	-1	0	352.173	3.486	40	0		FGABRM
COC(=O)c1c([N-]S(=O)(=O)c2ccc(F)cc2)sc2c1CCCC2	ZINC000005392673	263341226	/nfs/dbraw/zinc/34/12/26/263341226.db2.gz	UDKIPUPOYGYEIA-UHFFFAOYSA-N	-1	0	369.439	3.353	40	0		FGABRM
CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])Cc1ccccc1Br	ZINC000002506647	493810430	/nfs/dbraw/zinc/81/04/30/493810430.db2.gz	MOFCTVVLGCILTN-NSHDSACASA-N	-1	0	358.232	3.360	40	0		FGABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)Nc1ccc(Nc2ccccc2)cc1	ZINC000005338449	493925744	/nfs/dbraw/zinc/92/57/44/493925744.db2.gz	RGHBSLHUQUWPDI-XDNAFOTISA-N	-1	0	350.374	3.023	40	0		FGABRM
CCCCCc1nnc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)s1	ZINC000005680894	493939372	/nfs/dbraw/zinc/93/93/72/493939372.db2.gz	VQZNKZULMVQFMJ-UHFFFAOYSA-N	-1	0	368.484	3.030	40	0		FGABRM
C[N@H+](CC[C@](CCC(=O)[O-])(C(=O)[O-])c1ccccc1)Cc1ccccc1	ZINC000006375368	493961316	/nfs/dbraw/zinc/96/13/16/493961316.db2.gz	NARCJWCIGKFDEN-NRFANRHFSA-N	-1	0	355.434	3.396	40	0		FGABRM
Cc1nc2ccccc2nc1SCC(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000006500427	493964792	/nfs/dbraw/zinc/96/47/92/493964792.db2.gz	SCFQZZCKGJMQEA-UHFFFAOYSA-N	-1	0	367.430	3.045	40	0		FGABRM
Cc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1	ZINC000007495293	494025650	/nfs/dbraw/zinc/02/56/50/494025650.db2.gz	RPTBOMBDMZMAAE-QGOAFFKASA-N	-1	0	363.417	3.190	40	0		FGABRM
O=C([O-])CCSc1nnc2n(Cc3ccccc3)c3ccccc3n12	ZINC000033373742	494060064	/nfs/dbraw/zinc/06/00/64/494060064.db2.gz	BGMLYGNEIUOHNB-UHFFFAOYSA-N	-1	0	352.419	3.299	40	0		FGABRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(N2CCCCC2)o1	ZINC000033653523	494062058	/nfs/dbraw/zinc/06/20/58/494062058.db2.gz	UIASDYRPZOQRDS-RVDMUPIBSA-N	-1	0	369.377	3.365	40	0		FGABRM
CC/C=C\C[C@H](O)/C=C/[C@H]1C(=O)C[C@@H](O)[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000043772055	494317867	/nfs/dbraw/zinc/31/78/67/494317867.db2.gz	ANOICLBSJIMQTA-GVZOWKQASA-N	-1	0	350.455	3.027	40	0	in-vitro	FGABRM
CC(C)c1ccc(C(=O)NC(=S)NCc2ccc(C(=O)[O-])cc2)cc1	ZINC000020151631	494468865	/nfs/dbraw/zinc/46/88/65/494468865.db2.gz	XOYSIBJKJDKFTO-UHFFFAOYSA-N	-1	0	356.447	3.313	40	0		FGABRM
Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)C)ccc1F	ZINC000025085860	494697808	/nfs/dbraw/zinc/69/78/08/494697808.db2.gz	RJVSXDAAZWYGFH-UHFFFAOYSA-N	-1	0	350.415	3.073	40	0		FGABRM
COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)c1	ZINC000145527792	495556507	/nfs/dbraw/zinc/55/65/07/495556507.db2.gz	PLZNBUDIWBPPBN-UHFFFAOYSA-N	-1	0	373.789	3.075	40	0		FGABRM
CC(C)NS(=O)(=O)c1ccc(N[C@@H](C)c2ccccc2)c(C(=O)[O-])c1	ZINC000217546878	496998164	/nfs/dbraw/zinc/99/81/64/496998164.db2.gz	XMVOMXQPXOXRKJ-ZDUSSCGKSA-N	-1	0	362.451	3.245	40	0		FGABRM
CSc1ccccc1[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl	ZINC000223329775	497035606	/nfs/dbraw/zinc/03/56/06/497035606.db2.gz	QWOVNPFQWYSINR-UHFFFAOYSA-N	-1	0	370.839	3.297	40	0		FGABRM
CC(C)Oc1nc2ccc(I)cc2cc1C(=O)[O-]	ZINC000685937563	571319039	/nfs/dbraw/zinc/31/90/39/571319039.db2.gz	RNLNGFLTKFIASA-UHFFFAOYSA-N	-1	0	357.147	3.325	40	0		FGABRM
COc1cc(C(=O)[O-])cc(OC)c1OCC(=O)Nc1ccccc1Cl	ZINC000217732062	210174283	/nfs/dbraw/zinc/17/42/83/210174283.db2.gz	OEHONHZKBFVRRS-UHFFFAOYSA-N	-1	0	365.769	3.073	40	0		FGABRM
CCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])cc2C)cc1	ZINC000020152797	210172622	/nfs/dbraw/zinc/17/26/22/210172622.db2.gz	ZVNSHSZBVCKJBH-UHFFFAOYSA-N	-1	0	358.419	3.219	40	0		FGABRM
O=C([O-])[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)OCc1ccccc1	ZINC000044909781	210047492	/nfs/dbraw/zinc/04/74/92/210047492.db2.gz	SAWUNKDNRRUMLC-KRWDZBQOSA-N	-1	0	356.353	3.229	40	0		FGABRM
COc1ccc2[nH]cc(C[C@@H](NC(=O)OCc3ccccc3)C(=O)[O-])c2c1	ZINC000044909836	210047474	/nfs/dbraw/zinc/04/74/74/210047474.db2.gz	RWUUGBCLAUENQX-GOSISDBHSA-N	-1	0	368.389	3.099	40	0		FGABRM
Cn1[n-]c([C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2)cc1=O	ZINC000257317030	223063094	/nfs/dbraw/zinc/06/30/94/223063094.db2.gz	VIBRDUPXIBJXOZ-CYBMUJFWSA-N	-1	0	367.405	3.073	40	0		FGABRM
C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)C1	ZINC000013340244	220064820	/nfs/dbraw/zinc/06/48/20/220064820.db2.gz	SOXZXFJTSIYJLI-MRVPVSSYSA-N	-1	0	352.239	3.112	40	0		FGABRM
O=C([O-])Cc1ccc(NC(=O)COc2ccc(Br)cc2)cc1	ZINC000013439744	220067538	/nfs/dbraw/zinc/06/75/38/220067538.db2.gz	DBNLTIPYGWCFII-UHFFFAOYSA-N	-1	0	364.195	3.094	40	0		FGABRM
CCCn1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)c(C)n1	ZINC000019526067	211227239	/nfs/dbraw/zinc/22/72/39/211227239.db2.gz	DDCGATKQXZNSGW-UHFFFAOYSA-N	-1	0	366.462	3.142	40	0		FGABRM
CC/C=C/C[C@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000013339079	211030159	/nfs/dbraw/zinc/03/01/59/211030159.db2.gz	CBOMORHDRONZRN-PEKITJACSA-N	-1	0	350.455	3.027	40	0		FGABRM
O=C([O-])CCC[C@H](O)/C=C\C=C\C=C\[C@H](O)C/C=C\CCCCCO	ZINC000004629872	210547753	/nfs/dbraw/zinc/54/77/53/210547753.db2.gz	PTJFJXLGRSTECQ-PSPARDEHSA-N	-1	0	352.471	3.131	40	0	endogenous,in-man	FGABRM
CCCCC[C@@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000033838834	220752168	/nfs/dbraw/zinc/75/21/68/220752168.db2.gz	XEYBRNLFEZDVAW-FIOBKZEWSA-N	-1	0	352.471	3.251	40	0	in-vitro	FGABRM
CCc1ccc(-c2nc3ccc(N4C[C@H](C(=O)[O-])CC4=O)cc3o2)cc1	ZINC000070461292	221332622	/nfs/dbraw/zinc/33/26/22/221332622.db2.gz	DKGUKPXFGAZTHM-CQSZACIVSA-N	-1	0	350.374	3.495	40	0		FGABRM
COc1ccc(-c2nc(N)cc(Nc3ccc(C(=O)[O-])cc3)n2)cc1OC	ZINC000049468240	493874963	/nfs/dbraw/zinc/87/49/63/493874963.db2.gz	NRYVTKKIWXFLQO-UHFFFAOYSA-N	-1	0	366.377	3.185	40	0		FGABRM
Cc1ccc2[nH]c(=NS(=O)(=O)c3cc(C)c(Cl)cc3[S-])[nH]c2c1	ZINC000005822407	493943790	/nfs/dbraw/zinc/94/37/90/493943790.db2.gz	HJRQHTSVOGWXFU-UHFFFAOYSA-N	-1	0	367.883	3.345	40	0		FGABRM
CCc1ccc(N2C(=O)/C(=C/c3cccc(F)c3)C(=O)[N-]C2=S)cc1	ZINC000005985119	493947489	/nfs/dbraw/zinc/94/74/89/493947489.db2.gz	YJLVBJLOAWECTM-LFIBNONCSA-N	-1	0	354.406	3.219	40	0		FGABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)c(C)c1	ZINC000006352376	493960419	/nfs/dbraw/zinc/96/04/19/493960419.db2.gz	HXOKMLVFPPLDFQ-UHFFFAOYSA-N	-1	0	366.870	3.459	40	0		FGABRM
C=CCOc1ccc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])cc1OCC	ZINC000006961038	493990471	/nfs/dbraw/zinc/99/04/71/493990471.db2.gz	IFFYAJMBXIZBSY-GDNBJRDFSA-N	-1	0	361.423	3.294	40	0		FGABRM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)/C=C/c1cccc(Br)c1	ZINC000062715367	494021390	/nfs/dbraw/zinc/02/13/90/494021390.db2.gz	CEGIBTLRXPKYMZ-ZNFPLGDCSA-N	-1	0	374.234	3.274	40	0		FGABRM
CC(=O)Nc1cccc(-c2nc(SCc3cccc(C(=O)[O-])c3)n[nH]2)c1	ZINC000007605197	494029186	/nfs/dbraw/zinc/02/91/86/494029186.db2.gz	WJBATYFNETUYNC-UHFFFAOYSA-N	-1	0	368.418	3.421	40	0		FGABRM
Cc1nnc(SC(=Cc2c(OCC#N)ccc3ccccc32)C(=O)[O-])[nH]1	ZINC000008272162	494080381	/nfs/dbraw/zinc/08/03/81/494080381.db2.gz	UNOPJBWVMKOWLF-YBEGLDIGSA-N	-1	0	366.402	3.387	40	0		FGABRM
Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc3nc(C)c(C)c(=O)n3[n-]2)cn1	ZINC000012161574	494210463	/nfs/dbraw/zinc/21/04/63/494210463.db2.gz	WKWPHTLZYMLCHE-QGZVFWFLSA-N	-1	0	365.437	3.123	40	0		FGABRM
O=C([O-])c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1	ZINC000013259681	494283342	/nfs/dbraw/zinc/28/33/42/494283342.db2.gz	OSMHNXFRFXAPCN-GFCCVEGCSA-N	-1	0	358.781	3.030	40	0		FGABRM
CN([C@H](c1ccccc1Cl)C(F)(F)C(=O)[O-])[S@](=O)C(C)(C)C	ZINC000044139221	494340165	/nfs/dbraw/zinc/34/01/65/494340165.db2.gz	FZXKRZHMESAPNL-XFNZEKPQSA-N	-1	0	353.818	3.495	40	0		FGABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)c1	ZINC000107614581	495529748	/nfs/dbraw/zinc/52/97/48/495529748.db2.gz	ZSIUVQNDUHLQER-UHFFFAOYSA-N	-1	0	352.843	3.151	40	0		FGABRM
CC/C=C/C[C@H](O)/C=C\[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000150373710	495609990	/nfs/dbraw/zinc/60/99/90/495609990.db2.gz	ANOICLBSJIMQTA-JZPIDNRMSA-N	-1	0	350.455	3.027	40	0	in-vitro	FGABRM
CC(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1NC1CCCCC1	ZINC000217433278	496998087	/nfs/dbraw/zinc/99/80/87/496998087.db2.gz	ZAHBDJBUVDAVOJ-UHFFFAOYSA-N	-1	0	354.472	3.206	40	0		FGABRM
Cc1cccc([N-]S(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)c1C	ZINC000223342527	497036798	/nfs/dbraw/zinc/03/67/98/497036798.db2.gz	ZCDYUWZSKDEERP-UHFFFAOYSA-N	-1	0	366.826	3.203	40	0		FGABRM
CCCSc1nnc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)s1	ZINC000223484240	497037040	/nfs/dbraw/zinc/03/70/40/497037040.db2.gz	NHNAQBAHYGUIBT-UHFFFAOYSA-N	-1	0	373.525	3.466	40	0		FGABRM
COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(OC(C)C)c2)c1	ZINC000223677047	497041120	/nfs/dbraw/zinc/04/11/20/497041120.db2.gz	OFNAMJUJXBCOKE-UHFFFAOYSA-N	-1	0	351.424	3.292	40	0		FGABRM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)s1	ZINC000225613406	497070047	/nfs/dbraw/zinc/07/00/47/497070047.db2.gz	OPFMBZILDMZSSQ-UHFFFAOYSA-N	-1	0	368.484	3.057	40	0		FGABRM
CCOCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000226811636	497085634	/nfs/dbraw/zinc/08/56/34/497085634.db2.gz	UIRSFOWYRSFCMQ-LJQANCHMSA-N	-1	0	369.417	3.405	40	0		FGABRM
CCn1ncc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2OC)c1F	ZINC000253403268	497331313	/nfs/dbraw/zinc/33/13/13/497331313.db2.gz	PRSPLJCNDCCJKD-UHFFFAOYSA-N	-1	0	355.435	3.149	40	0		FGABRM
CCOc1ccccc1-n1nc(C(=O)[O-])c(N(C)Cc2ccccc2)n1	ZINC000256045663	497382069	/nfs/dbraw/zinc/38/20/69/497382069.db2.gz	AJDNZOAKKVFROV-UHFFFAOYSA-N	-1	0	352.394	3.001	40	0		FGABRM
CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1C(=O)OC	ZINC000408559380	499592258	/nfs/dbraw/zinc/59/22/58/499592258.db2.gz	WSQVHOFGEJOMJA-UHFFFAOYSA-N	-1	0	369.826	3.326	40	0		FGABRM
Cc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c(C)n1Cc1ccccc1	ZINC000409134552	568356768	/nfs/dbraw/zinc/35/67/68/568356768.db2.gz	SCNJYLXTAGBKMC-CXUHLZMHSA-N	-1	0	370.430	3.274	40	0		FGABRM
O=C([O-])CCC(=O)Nc1ccc(NC(=O)c2cccs2)c(Cl)c1	ZINC000001088435	210224643	/nfs/dbraw/zinc/22/46/43/210224643.db2.gz	BEXRNZGAGDXLGU-UHFFFAOYSA-N	-1	0	352.799	3.457	40	0		FGABRM
O=C([O-])[C@H]1CS[C@H](c2cn(-c3ccccc3)nc2-c2cccs2)N1	ZINC000071195259	210063647	/nfs/dbraw/zinc/06/36/47/210063647.db2.gz	UKHOHSZEGIFSEH-CZUORRHYSA-N	-1	0	357.460	3.389	40	0		FGABRM
C[C@@H](Sc1nnc(COc2ccccc2)n1Cc1ccccc1)C(=O)[O-]	ZINC000000916194	219340594	/nfs/dbraw/zinc/34/05/94/219340594.db2.gz	PBZRYQAEZYCYFL-CQSZACIVSA-N	-1	0	369.446	3.471	40	0		FGABRM
COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2cc(OC)ccc2c1	ZINC000225851526	222875179	/nfs/dbraw/zinc/87/51/79/222875179.db2.gz	XLOCTGMKYSJBPL-UHFFFAOYSA-N	-1	0	371.414	3.436	40	0		FGABRM
CCCCC[C@H](O)/C=C\C=C\C=C/C=C\[C@@H](O)[C@H](O)CCCC(=O)[O-]	ZINC000027644564	211469155	/nfs/dbraw/zinc/46/91/55/211469155.db2.gz	IXAQOQZEOGMIQS-FMOWBDABSA-N	-1	0	352.471	3.129	40	0	in-vitro	FGABRM
COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1	ZINC000026528761	211450993	/nfs/dbraw/zinc/45/09/93/211450993.db2.gz	JTLJZJRKRRFFLS-UHFFFAOYSA-N	-1	0	361.753	3.206	40	0		FGABRM
Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NCC(C)C)ccc1F	ZINC000020957037	211301058	/nfs/dbraw/zinc/30/10/58/211301058.db2.gz	UODORNKVXYUWFL-UHFFFAOYSA-N	-1	0	364.442	3.321	40	0		FGABRM
COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1cc(C)cc(C)c1	ZINC000020152149	211269683	/nfs/dbraw/zinc/26/96/83/211269683.db2.gz	XNXKCVKBWMYNDE-UHFFFAOYSA-N	-1	0	358.419	3.137	40	0		FGABRM
Cc1cc(NC(=O)c2ccccc2Br)cc(C(=O)[O-])c1O	ZINC000020137822	211267700	/nfs/dbraw/zinc/26/77/00/211267700.db2.gz	QPIAXUKJBNAGDM-UHFFFAOYSA-N	-1	0	350.168	3.414	40	0		FGABRM
COc1ccc(-c2c(C)[n-]n3c2nc(-c2ccccn2)cc3=O)cc1OC	ZINC000019582036	211237710	/nfs/dbraw/zinc/23/77/10/211237710.db2.gz	HZZRADXAZAIJLZ-UHFFFAOYSA-N	-1	0	362.389	3.490	40	0		FGABRM
Cc1cc(C)c(N[C@H]2CC(=O)N(c3cc(C(=O)[O-])ccc3C)C2=O)c(C)c1	ZINC000016901136	211171887	/nfs/dbraw/zinc/17/18/87/211171887.db2.gz	BPIXYSJEJQJVMC-INIZCTEOSA-N	-1	0	366.417	3.362	40	0		FGABRM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)Nc2cccc(Cl)c2)c1	ZINC000016693593	211167203	/nfs/dbraw/zinc/16/72/03/211167203.db2.gz	KIMSYIJXECVAPG-UHFFFAOYSA-N	-1	0	354.815	3.483	40	0		FGABRM
O=C([O-])[C@@H]1COC2(CCCCC2)N1C(=O)c1cccc(C(F)(F)F)c1	ZINC000071979743	221393230	/nfs/dbraw/zinc/39/32/30/221393230.db2.gz	PEPAUCLFRGMYNM-ZDUSSCGKSA-N	-1	0	357.328	3.291	40	0		FGABRM
CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)Cc1ccccc1	ZINC000071980423	221393746	/nfs/dbraw/zinc/39/37/46/221393746.db2.gz	MCWVTWJDHSWISR-BATSVXPKSA-N	-1	0	359.466	3.474	40	0		FGABRM
COc1cc(Br)cc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1O	ZINC000257206158	533487939	/nfs/dbraw/zinc/48/79/39/533487939.db2.gz	BCCJCLUVDBAART-UHFFFAOYSA-N	-1	0	366.167	3.114	40	0		FGABRM
COc1ccc(C(=O)C=C([O-])c2ccc3ccccc3n2)c(O)c1OC	ZINC000100398042	222242591	/nfs/dbraw/zinc/24/25/91/222242591.db2.gz	KBHJOCQZERDMGU-UHFFFAOYSA-N	-1	0	351.358	3.413	40	0		FGABRM
O=C([O-])CC[C@@H](c1ccccc1)N1CCN(C(=O)c2cccs2)CC1	ZINC000408613587	263482207	/nfs/dbraw/zinc/48/22/07/263482207.db2.gz	YMLJYBJQCMXMFZ-INIZCTEOSA-N	-1	0	358.463	3.112	40	0		FGABRM
O=C([O-])c1cc(Cl)ccc1OCC(=O)NCc1ccc(Cl)cc1	ZINC000001750359	493797504	/nfs/dbraw/zinc/79/75/04/493797504.db2.gz	QVFUZMLKAQQWSV-UHFFFAOYSA-N	-1	0	354.189	3.387	40	0		FGABRM
CC(C)(C)OC(=O)NC1CN([C@H](C(=O)[O-])c2ccc3ccccc3c2)C1	ZINC000002527325	493810971	/nfs/dbraw/zinc/81/09/71/493810971.db2.gz	UOFDYHHRVUNCEK-KRWDZBQOSA-N	-1	0	356.422	3.174	40	0		FGABRM
C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c2ccccc2nc1SCC(=O)[O-]	ZINC000004859227	493896715	/nfs/dbraw/zinc/89/67/15/493896715.db2.gz	ASBBULQHRSJDHA-CHWSQXEVSA-N	-1	0	361.467	3.003	40	0		FGABRM
COc1ccccc1[C@@H]1CC(c2cccs2)=NN1C(=O)CCC(=O)[O-]	ZINC000004950915	493904044	/nfs/dbraw/zinc/90/40/44/493904044.db2.gz	NWLKPUGCNUDJTP-AWEZNQCLSA-N	-1	0	358.419	3.299	40	0		FGABRM
O=C([O-])[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CS1	ZINC000005518413	493933003	/nfs/dbraw/zinc/93/30/03/493933003.db2.gz	SYWHMVZDOKZPSH-QGZVFWFLSA-N	-1	0	355.415	3.395	40	0		FGABRM
COc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2)cc1Cl	ZINC000005880270	493945509	/nfs/dbraw/zinc/94/55/09/493945509.db2.gz	ZMOCYCRPFHXBJL-UHFFFAOYSA-N	-1	0	364.810	3.174	40	0		FGABRM
CCCCC(=O)NC(=S)Nc1ccc(Br)cc1C(=O)[O-]	ZINC000006569730	493968147	/nfs/dbraw/zinc/96/81/47/493968147.db2.gz	HNEVEHPCEOWZEP-UHFFFAOYSA-N	-1	0	359.245	3.151	40	0		FGABRM
CCOc1ccc(/C=C(\Sc2nnc(C)o2)C(=O)[O-])cc1OCC	ZINC000007603664	494029418	/nfs/dbraw/zinc/02/94/18/494029418.db2.gz	WOVFTVCYTCSYKL-ZROIWOOFSA-N	-1	0	350.396	3.393	40	0		FGABRM
COc1cc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])cc(Cl)c1OC	ZINC000033333703	494059210	/nfs/dbraw/zinc/05/92/10/494059210.db2.gz	BUSAXRDUZUMFLO-WDZFZDKYSA-N	-1	0	355.803	3.002	40	0		FGABRM
CC1=CC(C)(C)NC(=S)N1c1cccc2c1cccc2S(=O)(=O)[O-]	ZINC000008580284	494097340	/nfs/dbraw/zinc/09/73/40/494097340.db2.gz	WTAZNNQPWVVGBW-UHFFFAOYSA-N	-1	0	362.476	3.463	40	0		FGABRM
CC1(C)Cc2cc(/C=C3/C(=O)[N-]C(=O)N(c4ccccc4)C3=O)ccc2O1	ZINC000010299055	494149107	/nfs/dbraw/zinc/14/91/07/494149107.db2.gz	DVUDHWMEKKZWEX-WJDWOHSUSA-N	-1	0	362.385	3.067	40	0		FGABRM
Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(Oc2ccc(F)cc2)cc1	ZINC000012117132	494206077	/nfs/dbraw/zinc/20/60/77/494206077.db2.gz	DMCCALBLDRAPBP-UHFFFAOYSA-N	-1	0	361.398	3.461	40	0		FGABRM
Cc1ccc(S(=O)(=O)[C@H]2[C@@H](C(=O)[O-])[C@@H]2c2cccc(Cl)c2)cc1	ZINC000225654791	497070711	/nfs/dbraw/zinc/07/07/11/497070711.db2.gz	WNJINEPEOLFLIC-HRCADAONSA-N	-1	0	350.823	3.289	40	0		FGABRM
Cc1nc([N-]S(C)(=O)=O)sc1C(=O)Nc1ccc(Cl)cc1C	ZINC000225877796	497078247	/nfs/dbraw/zinc/07/82/47/497078247.db2.gz	OHRHCZINMYZQKK-UHFFFAOYSA-N	-1	0	359.860	3.037	40	0		FGABRM
Cc1ccc([C@@H]2[C@H](C(=O)[O-])[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000242614815	497355146	/nfs/dbraw/zinc/35/51/46/497355146.db2.gz	PICRZOMRQJDPHX-PMPSAXMXSA-N	-1	0	350.823	3.289	40	0		FGABRM
O=C([O-])c1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1NC1CC1	ZINC000217585428	526355508	/nfs/dbraw/zinc/35/55/08/526355508.db2.gz	AEDHECXKBWPREC-UHFFFAOYSA-N	-1	0	364.467	3.128	40	0		FGABRM
COCCN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1=O	ZINC000409124395	570729402	/nfs/dbraw/zinc/72/94/02/570729402.db2.gz	HEAKDIXPGLXDHN-XNTDXEJSSA-N	-1	0	373.386	3.328	40	0		FGABRM
O=C([O-])c1nc(/C=C/c2ccnn2CC2CC2)sc1Br	ZINC000656613514	571111148	/nfs/dbraw/zinc/11/11/48/571111148.db2.gz	KOAZUHHCUHOZGU-ONEGZZNKSA-N	-1	0	354.229	3.381	40	0		FGABRM
CC/C=C\C[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C/CCCC(=O)[O-])C[C@H]12	ZINC000085534367	210236079	/nfs/dbraw/zinc/23/60/79/210236079.db2.gz	NCYSTSFUYSFMEO-ZBHUMANGSA-N	-1	0	350.455	3.185	40	0		FGABRM
CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000003830710	210179559	/nfs/dbraw/zinc/17/95/59/210179559.db2.gz	PXGPLTODNUVGFL-CKXCCYAOSA-N	-1	0	354.487	3.043	40	0	in-vitro	FGABRM
CC(C)(C)NS(=O)(=O)c1ccc(NCc2ccccc2)c(C(=O)[O-])c1	ZINC000217564922	222672101	/nfs/dbraw/zinc/67/21/01/222672101.db2.gz	YSFLNZAITWLVNN-UHFFFAOYSA-N	-1	0	362.451	3.074	40	0		FGABRM
CCCCC[C@H](O)/C=C\[C@@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000013515574	210143738	/nfs/dbraw/zinc/14/37/38/210143738.db2.gz	PXGPLTODNUVGFL-GOYKDTKNSA-N	-1	0	354.487	3.043	40	0	in-vitro	FGABRM
CCCCC[C@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@H]1CCCCCCC(=O)[O-]	ZINC000043681923	210046595	/nfs/dbraw/zinc/04/65/95/210046595.db2.gz	GMVPRGQOIOIIMI-ZDHXRDDOSA-N	-1	0	354.487	3.475	40	0	in-vitro	FGABRM
CCOC(=O)c1c(C)nc([N-]c2nc(C)c3cc(OC)ccc3n2)nc1C	ZINC000020634097	211291356	/nfs/dbraw/zinc/29/13/56/211291356.db2.gz	FOTQGFCPIRZXEO-UHFFFAOYSA-N	-1	0	367.409	3.274	40	0		FGABRM
O=C([O-])[C@@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)c1ccccc1)c1ccccc1	ZINC000020426355	211279484	/nfs/dbraw/zinc/27/94/84/211279484.db2.gz	UUTGNTUSZXGHCR-FHWLQOOXSA-N	-1	0	363.413	3.394	40	0		FGABRM
CCOc1ccc(/C=C/C(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1OC	ZINC000020151139	211270591	/nfs/dbraw/zinc/27/05/91/211270591.db2.gz	YRQMLARNCGGWTO-WEVVVXLNSA-N	-1	0	357.362	3.150	40	0		FGABRM
COc1ccc(OCC(=O)Nc2cc(C(=O)[O-])cc(Cl)c2OC)cc1	ZINC000020144635	211270400	/nfs/dbraw/zinc/27/04/00/211270400.db2.gz	KCRSTBKHEFYCLA-UHFFFAOYSA-N	-1	0	365.769	3.073	40	0		FGABRM
Cc1ccc(N(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)C2=NCCC2)cc1	ZINC000016740145	211168601	/nfs/dbraw/zinc/16/86/01/211168601.db2.gz	FVDJMIHXXJSRGY-UHFFFAOYSA-N	-1	0	371.462	3.401	40	0		FGABRM
O=C([O-])c1cccc(NC(=O)c2cccc(I)c2)c1	ZINC000013094487	211022874	/nfs/dbraw/zinc/02/28/74/211022874.db2.gz	NHBXCKHQDSKRQO-UHFFFAOYSA-N	-1	0	367.142	3.242	40	0		FGABRM
COc1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)[O-])c(OC)c1	ZINC000013083584	211022302	/nfs/dbraw/zinc/02/23/02/211022302.db2.gz	ASRIXLNWMDKHRR-UHFFFAOYSA-N	-1	0	365.769	3.073	40	0		FGABRM
CCc1cc(=O)n2[n-]c([C@H]3CCCCN3C(=O)c3scnc3C)cc2n1	ZINC000012161340	210924160	/nfs/dbraw/zinc/92/41/60/210924160.db2.gz	QWJXOHZBWJAXHA-CQSZACIVSA-N	-1	0	371.466	3.130	40	0		FGABRM
O=C([O-])c1cc(NC(=O)CC[C@@H]2CC(=O)O[C@@H]2c2ccccc2)ccc1O	ZINC000005002241	210590277	/nfs/dbraw/zinc/59/02/77/210590277.db2.gz	CBTOVMFQTUDKNI-BFUOFWGJSA-N	-1	0	369.373	3.114	40	0		FGABRM
COc1ccc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1Br	ZINC000020142300	220316066	/nfs/dbraw/zinc/31/60/66/220316066.db2.gz	QCQOATUKYSQDLS-UHFFFAOYSA-N	-1	0	366.167	3.114	40	0		FGABRM
CCCOc1ccc(S(=O)(=O)[N-]c2cccc(C)n2)cc1OCCC	ZINC000072414228	221505094	/nfs/dbraw/zinc/50/50/94/221505094.db2.gz	YLVQLFUOTAHEAL-UHFFFAOYSA-N	-1	0	364.467	3.190	40	0		FGABRM
Cc1cc(C)c(N[C@@H]2CC(=O)N(c3cc(C(=O)[O-])ccc3C)C2=O)c(C)c1	ZINC000101275006	222266208	/nfs/dbraw/zinc/26/62/08/222266208.db2.gz	BPIXYSJEJQJVMC-MRXNPFEDSA-N	-1	0	366.417	3.362	40	0		FGABRM
O=C([O-])C1=C[C@@H](c2ccccc2)c2c(=O)[nH]c(Nc3ccccc3)nc2N1	ZINC000102277106	222292129	/nfs/dbraw/zinc/29/21/29/222292129.db2.gz	DELWSGYYEVMZRD-AWEZNQCLSA-N	-1	0	360.373	3.039	40	0		FGABRM
Cc1cc2c(c(=O)o1)[C@H](c1ccc(Cl)cc1Cl)C(C(=O)[O-])=C(N)O2	ZINC000059416537	263418530	/nfs/dbraw/zinc/41/85/30/263418530.db2.gz	SLSSZDSEOBGZTK-NSHDSACASA-N	-1	0	368.172	3.034	40	0		FGABRM
Cc1cc(C)n([N-]C(=O)c2ccc(COc3ccc(F)cc3F)o2)c(=O)c1	ZINC000002791023	493820544	/nfs/dbraw/zinc/82/05/44/493820544.db2.gz	UCJOQHWQOKDAFO-UHFFFAOYSA-N	-1	0	374.343	3.299	40	0		FGABRM
O=C([O-])CCC[C@@H](O)/C=C\C=C\C=C\[C@@H](O)C/C=C\CCCCCO	ZINC000004546738	493881656	/nfs/dbraw/zinc/88/16/56/493881656.db2.gz	PTJFJXLGRSTECQ-OLZRQKBQSA-N	-1	0	352.471	3.131	40	0	in-vitro	FGABRM
CCOC(=O)c1oc2cc(OC)cc(=O)c-2c([O-])c1-c1ccc(OC)cc1	ZINC000005408469	493928789	/nfs/dbraw/zinc/92/87/89/493928789.db2.gz	XKRONFSGQYEQBN-UHFFFAOYSA-N	-1	0	370.357	3.360	40	0	biogenic,in-vitro	FGABRM
O=C([O-])c1cc(N2C(=O)c3ccc4c5c(ccc(c53)C2=O)CC4)ccc1O	ZINC000005568085	493935065	/nfs/dbraw/zinc/93/50/65/493935065.db2.gz	OGQKKNSGHNDNFF-UHFFFAOYSA-N	-1	0	359.337	3.143	40	0		FGABRM
CC(C)CC(=O)NC(=S)Nc1ccc(Br)cc1C(=O)[O-]	ZINC000006563630	493967761	/nfs/dbraw/zinc/96/77/61/493967761.db2.gz	BQSUWHCYJFAVAN-UHFFFAOYSA-N	-1	0	359.245	3.006	40	0		FGABRM
Cc1n[nH]c(SC(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)[O-])n1	ZINC000006588315	493969610	/nfs/dbraw/zinc/96/96/10/493969610.db2.gz	XRKCZCVJHGCYII-ZSOIEALJSA-N	-1	0	372.362	3.499	40	0		FGABRM
CCCCC[C@H](O)/C=C/C=C\C=C\C=C\[C@H](O)[C@H](O)CCCC(=O)[O-]	ZINC000034094953	494065574	/nfs/dbraw/zinc/06/55/74/494065574.db2.gz	IXAQOQZEOGMIQS-PNULVCHJSA-N	-1	0	352.471	3.129	40	0	in-vitro	FGABRM
Cc1ccccc1C1C2=C(CCCC2=O)N(CC(=O)[O-])C2=C1C(=O)CCC2	ZINC000008571032	494097109	/nfs/dbraw/zinc/09/71/09/494097109.db2.gz	QGYSASIQHUFXFS-UHFFFAOYSA-N	-1	0	365.429	3.493	40	0		FGABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1ccccc1F	ZINC000038753751	494117865	/nfs/dbraw/zinc/11/78/65/494117865.db2.gz	GQNCCNIOHGJTNA-UHFFFAOYSA-N	-1	0	371.393	3.274	40	0		FGABRM
Cc1nc(C)c(C(=O)N2CCC[C@H]2c2cccc([N-]c3nncs3)n2)o1	ZINC000072375376	494159130	/nfs/dbraw/zinc/15/91/30/494159130.db2.gz	FDMVJMCFYIUETB-ZDUSSCGKSA-N	-1	0	370.438	3.259	40	0		FGABRM
O=C(C1CCCCC1)N1CCC[C@@H]1c1ccnc([N-]c2ncccn2)n1	ZINC000072377675	494159678	/nfs/dbraw/zinc/15/96/78/494159678.db2.gz	ALWGVZRHJLRINO-MRXNPFEDSA-N	-1	0	352.442	3.254	40	0		FGABRM
COc1cc(S(=O)(=O)[N-]c2ccccc2)c(OC)cc1Br	ZINC000072414165	494167924	/nfs/dbraw/zinc/16/79/24/494167924.db2.gz	QEAFNHDVUOXPAU-UHFFFAOYSA-N	-1	0	372.240	3.267	40	0		FGABRM
COc1cc([N-]S(=O)(=O)c2ccc(C)cc2OC)c(OC)cc1Cl	ZINC000054363355	494225513	/nfs/dbraw/zinc/22/55/13/494225513.db2.gz	MFYUPLMDKUXZCV-UHFFFAOYSA-N	-1	0	371.842	3.475	40	0		FGABRM
CCOC(=O)c1ccccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1	ZINC000014291446	494314937	/nfs/dbraw/zinc/31/49/37/494314937.db2.gz	DHVKWDIHXGJJGU-UHFFFAOYSA-N	-1	0	353.827	3.459	40	0		FGABRM
CCCCCNc1ccc(S(=O)(=O)NCCCCC)cc1C(=O)[O-]	ZINC000217650935	496999254	/nfs/dbraw/zinc/99/92/54/496999254.db2.gz	KNTKBHOIDVIKFB-UHFFFAOYSA-N	-1	0	356.488	3.455	40	0		FGABRM
O=c1[nH]c2cc(Cl)c(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2o1	ZINC000223325344	497035678	/nfs/dbraw/zinc/03/56/78/497035678.db2.gz	OIIJXJCWFBGRAN-UHFFFAOYSA-N	-1	0	359.190	3.229	40	0		FGABRM
COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)ccc2OC)ccc1Cl	ZINC000223828023	497042962	/nfs/dbraw/zinc/04/29/62/497042962.db2.gz	HNJSZPCNHXLTKY-UHFFFAOYSA-N	-1	0	369.826	3.244	40	0		FGABRM
CSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2C	ZINC000225676105	497072069	/nfs/dbraw/zinc/07/20/69/497072069.db2.gz	YBFNXHMRINDKHM-UHFFFAOYSA-N	-1	0	366.489	3.123	40	0		FGABRM
CCCCC[C@@H](O)/C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000090428143	520294249	/nfs/dbraw/zinc/29/42/49/520294249.db2.gz	PXGPLTODNUVGFL-XSVOMJGASA-N	-1	0	354.487	3.043	40	0		FGABRM
CC/C=C/C[C@H](O)/C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000299888560	210043018	/nfs/dbraw/zinc/04/30/18/210043018.db2.gz	OFPLGKUICBQJOS-UHKKBHQJSA-N	-1	0	352.471	3.251	40	0		FGABRM
CCn1c(C)nc2cc(C(=O)N(CCc3ccccc3)CC(=O)[O-])ccc21	ZINC000257219721	223025817	/nfs/dbraw/zinc/02/58/17/223025817.db2.gz	DHWHXYUQUWPLSQ-UHFFFAOYSA-N	-1	0	365.433	3.134	40	0		FGABRM
Cc1nnc([N-]c2cc([C@H]3CCCCN3Cc3c[nH]cn3)nc(C)n2)s1	ZINC000257298904	223056118	/nfs/dbraw/zinc/05/61/18/223056118.db2.gz	RNUCLIRYFCGVBG-OAHLLOKOSA-N	-1	0	370.486	3.139	40	0		FGABRM
CCCCC1C(=O)N=C(SCC(=O)Nc2ccc3c(c2)CCC3)N=C1[O-]	ZINC000013116529	220058724	/nfs/dbraw/zinc/05/87/24/220058724.db2.gz	NKYHYSLWBVXIHB-UHFFFAOYSA-N	-1	0	373.478	3.038	40	0		FGABRM
CC(C)(C)OC(=O)N[C@H](CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000016697014	220191054	/nfs/dbraw/zinc/19/10/54/220191054.db2.gz	DMJBIYDCCUIVGN-CYBMUJFWSA-N	-1	0	372.462	3.002	40	0		FGABRM
CCOC(=O)c1cnc([N-]c2nc(C)c3cccc(OCC)c3n2)nc1C	ZINC000020634066	211291538	/nfs/dbraw/zinc/29/15/38/211291538.db2.gz	YPUNHYITNAJJNU-UHFFFAOYSA-N	-1	0	367.409	3.356	40	0		FGABRM
Cc1cc(NC(=O)Cc2ccc(Br)cc2)cc(C(=O)[O-])c1O	ZINC000020137188	211268738	/nfs/dbraw/zinc/26/87/38/211268738.db2.gz	QZJHGYRCZWCWST-UHFFFAOYSA-N	-1	0	364.195	3.343	40	0		FGABRM
Cc1cccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(Cl)cc2)c1C	ZINC000020061329	211266648	/nfs/dbraw/zinc/26/66/48/211266648.db2.gz	SHYXMQJFADLGFB-UHFFFAOYSA-N	-1	0	353.827	3.237	40	0		FGABRM
O=C([O-])C[C@H](NC(=O)Cc1ccccc1)c1cccc(Br)c1	ZINC000016698291	211166454	/nfs/dbraw/zinc/16/64/54/211166454.db2.gz	JYOOBMKOMJYPHP-HNNXBMFYSA-N	-1	0	362.223	3.324	40	0		FGABRM
Cc1sc(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])nc1-c1ccc(C)cc1	ZINC000005601169	210632276	/nfs/dbraw/zinc/63/22/76/210632276.db2.gz	HXFJUGYORBSKGD-QPSCCSFWSA-N	-1	0	372.446	3.244	40	0		FGABRM
C[C@@H]1C[C@@H](O)[C@H]2[C@@](C)(C(=O)[O-])CCC[C@]2(C)[C@@]1(O)CCc1ccoc1	ZINC000004792350	210563202	/nfs/dbraw/zinc/56/32/02/210563202.db2.gz	XNJHGRHUXRWGMG-OBHOOXMTSA-N	-1	0	350.455	3.241	40	0	biogenic,in-vitro	FGABRM
COc1ccc([C@H](CC(=O)[O-])NC(=O)OCc2ccccc2)cc1OC	ZINC000002511968	210402846	/nfs/dbraw/zinc/40/28/46/210402846.db2.gz	CWNPXEIQIDRRLC-HNNXBMFYSA-N	-1	0	359.378	3.146	40	0		FGABRM
COc1ccccc1-n1c(SCC(=O)[O-])nnc1-c1ccccc1C	ZINC000000907180	210288443	/nfs/dbraw/zinc/28/84/43/210288443.db2.gz	NIWRQNBKCDVVQT-UHFFFAOYSA-N	-1	0	355.419	3.428	40	0		FGABRM
CC(C)(C)OC(=O)N1C[C@@H](Sc2nc3ccccc3[nH]2)C[C@H]1C(=O)[O-]	ZINC000004170710	493868493	/nfs/dbraw/zinc/86/84/93/493868493.db2.gz	POGCYWBOSNGZOQ-GWCFXTLKSA-N	-1	0	363.439	3.118	40	0		FGABRM
O=C([O-])[C@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1	ZINC000049466867	493874673	/nfs/dbraw/zinc/87/46/73/493874673.db2.gz	UDRJSCLXUBYWKD-ZYSHUDEJSA-N	-1	0	351.402	3.231	40	0		FGABRM
COc1cccc(OC)c1NC(=O)[C@@H](CC(=O)[O-])Cc1ccc(C)cc1	ZINC000005600247	493936647	/nfs/dbraw/zinc/93/66/47/493936647.db2.gz	QPJURTSCIJLXOR-OAHLLOKOSA-N	-1	0	357.406	3.284	40	0		FGABRM
C[C@H]1CS/C(=C(/C(=O)[O-])C(=O)/C=C/c2cccc([N+](=O)[O-])c2)S1	ZINC000005920865	493945813	/nfs/dbraw/zinc/94/58/13/493945813.db2.gz	OZQKDBDZQDGWNU-XCVLYERYSA-N	-1	0	351.405	3.342	40	0		FGABRM
CSCC[C@@H](NC(=O)CCCOc1ccc(Cl)cc1C)C(=O)[O-]	ZINC000006425308	493963088	/nfs/dbraw/zinc/96/30/88/493963088.db2.gz	HAPDFGQRHBFQJX-CYBMUJFWSA-N	-1	0	359.875	3.130	40	0		FGABRM
CCc1ccc(OCC(=O)NC(=S)Nc2cccc(C(=O)[O-])c2C)cc1	ZINC000006570433	493967660	/nfs/dbraw/zinc/96/76/60/493967660.db2.gz	IFHQJSPVWQVDIL-UHFFFAOYSA-N	-1	0	372.446	3.148	40	0		FGABRM
COc1cc(COc2ccc(/C=C/C(=O)N[C@@H](C)C(=O)[O-])cc2)ccc1C	ZINC000062715715	494021282	/nfs/dbraw/zinc/02/12/82/494021282.db2.gz	SNQPHEFWPBHQTO-SHQCLWGWSA-N	-1	0	369.417	3.185	40	0		FGABRM
CC[C@@H](C)Oc1c(Cl)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OC	ZINC000033707639	494062425	/nfs/dbraw/zinc/06/24/25/494062425.db2.gz	VNIWTYQFFXEHTA-MRVPVSSYSA-N	-1	0	352.774	3.116	40	0		FGABRM
CC[C@H](C)Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(Cc2ccco2)C1=O	ZINC000008197722	494074969	/nfs/dbraw/zinc/07/49/69/494074969.db2.gz	WWNSIURHKCEFDP-XDUBLRSXSA-N	-1	0	368.389	3.119	40	0		FGABRM
Cc1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)/C=C\C(=O)[O-])cc1	ZINC000008434597	494090629	/nfs/dbraw/zinc/09/06/29/494090629.db2.gz	VGNFSQWNPLGKBO-HJWRWDBZSA-N	-1	0	358.781	3.480	40	0		FGABRM
O=C(CC1CCCC1)N1CCC[C@H](c2ccnc([N-]c3ncccn3)n2)C1	ZINC000072377975	494161148	/nfs/dbraw/zinc/16/11/48/494161148.db2.gz	QQLIGILNMQAMRX-INIZCTEOSA-N	-1	0	366.469	3.297	40	0		FGABRM
O=C([O-])C1(C[C@@H]2CC(c3ccc(OC(F)(F)F)cc3)=NO2)CCOCC1	ZINC000012156872	494209110	/nfs/dbraw/zinc/20/91/10/494209110.db2.gz	JIBGNADZRKXJDU-ZDUSSCGKSA-N	-1	0	373.327	3.350	40	0		FGABRM
CCOc1cc(/C=C/C(=O)NCc2ccc(C(=O)[O-])cc2)ccc1OC	ZINC000013166337	494280463	/nfs/dbraw/zinc/28/04/63/494280463.db2.gz	NTUHPPINEPFVQT-YRNVUSSQSA-N	-1	0	355.390	3.122	40	0		FGABRM
CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3OC(C)C)ccc21	ZINC000055590373	494368995	/nfs/dbraw/zinc/36/89/95/494368995.db2.gz	LKFWHPWDEGAEJO-UHFFFAOYSA-N	-1	0	374.462	3.184	40	0		FGABRM
O=C([O-])Cc1ccc(Oc2ccc(O)cc2)c(I)c1	ZINC000108646690	494755492	/nfs/dbraw/zinc/75/54/92/494755492.db2.gz	JDBDXSUPAYTFGB-UHFFFAOYSA-N	-1	0	370.142	3.416	40	0		FGABRM
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H](O)[C@H]1CCCCCCC(=O)[O-]	ZINC000027640578	494878899	/nfs/dbraw/zinc/87/88/99/494878899.db2.gz	DZUXGQBLFALXCR-PZAYLFDTSA-N	-1	0	356.503	3.267	40	0	in-vitro	FGABRM
CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])C[C@@H]1c1ccc(Br)cc1	ZINC000117957583	494966877	/nfs/dbraw/zinc/96/68/77/494966877.db2.gz	GIGANHNRKIQTDM-IAQYHMDHSA-N	-1	0	356.216	3.285	40	0		FGABRM
CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCCCCC(=O)[O-]	ZINC000096032845	494997531	/nfs/dbraw/zinc/99/75/31/494997531.db2.gz	CBIUADIJQPJQEZ-VIDOSBHOSA-N	-1	0	363.498	3.369	40	0	in-vitro	FGABRM
CC(C)c1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000113894935	495333562	/nfs/dbraw/zinc/33/35/62/495333562.db2.gz	VOJUIKNVVYQDNC-UHFFFAOYSA-N	-1	0	351.399	3.229	40	0		FGABRM
O=C([O-])[C@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1	ZINC000169676115	496716657	/nfs/dbraw/zinc/71/66/57/496716657.db2.gz	UDRJSCLXUBYWKD-AYOQOUSVSA-N	-1	0	351.402	3.231	40	0		FGABRM
CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(F)ccc2OC)c1	ZINC000223692546	497041744	/nfs/dbraw/zinc/04/17/44/497041744.db2.gz	XNGNPGQUFUKDSY-UHFFFAOYSA-N	-1	0	367.398	3.120	40	0		FGABRM
CSc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1NC(=O)C(C)C	ZINC000224245869	497048640	/nfs/dbraw/zinc/04/86/40/497048640.db2.gz	GKYLGFNNHDUEHF-UHFFFAOYSA-N	-1	0	365.480	3.199	40	0		FGABRM
Cc1nc([N-]S(C)(=O)=O)sc1C(=O)Nc1ccc(C(C)C)cc1	ZINC000225877518	497078605	/nfs/dbraw/zinc/07/86/05/497078605.db2.gz	VRVVAAFJINGPAU-UHFFFAOYSA-N	-1	0	353.469	3.199	40	0		FGABRM
Cc1cc(/C=C/C(=O)[O-])cc(C)c1OS(=O)(=O)c1ccc(F)cc1	ZINC000256053403	497382445	/nfs/dbraw/zinc/38/24/45/497382445.db2.gz	RHXBWSSNGBPDPH-FPYGCLRLSA-N	-1	0	350.367	3.308	40	0		FGABRM
CCc1cccc(C)c1Nc1cc(-c2ccccc2)nc(NCC(=O)[O-])n1	ZINC000329065471	210135624	/nfs/dbraw/zinc/13/56/24/210135624.db2.gz	XSCFAEZKGSUOBN-UHFFFAOYSA-N	-1	0	362.433	3.098	40	0		FGABRM
O=C([O-])c1cnn(-c2ccc(F)cc2)c1NC(=O)OCc1ccccc1	ZINC000002527290	210076728	/nfs/dbraw/zinc/07/67/28/210076728.db2.gz	XUCMFOSBWBREHJ-UHFFFAOYSA-N	-1	0	355.325	3.458	40	0		FGABRM
COc1cccc2c(C[C@@H](NC(=O)OCc3ccccc3)C(=O)[O-])c[nH]c21	ZINC000044909852	210047367	/nfs/dbraw/zinc/04/73/67/210047367.db2.gz	TUYJRNGOJLMIAD-MRXNPFEDSA-N	-1	0	368.389	3.099	40	0		FGABRM
O=C([O-])CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cccs1	ZINC000225127972	222828831	/nfs/dbraw/zinc/82/88/31/222828831.db2.gz	ZHVURHDTUJCSQS-UHFFFAOYSA-N	-1	0	366.247	3.335	40	0		FGABRM
CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C	ZINC000022842837	211366647	/nfs/dbraw/zinc/36/66/47/211366647.db2.gz	NYEUFGHQHKATRE-UHFFFAOYSA-N	-1	0	350.415	3.075	40	0		FGABRM
COCc1[n-]n2c(nc(-c3cccnc3)cc2=O)c1-c1ccc(OC)cc1	ZINC000019594258	211240207	/nfs/dbraw/zinc/24/02/07/211240207.db2.gz	OEYIHCILEKHPPJ-UHFFFAOYSA-N	-1	0	362.389	3.319	40	0		FGABRM
CCCCC[C@H](O)[C@H](O)/C=C/C=C/C=C/C=C\[C@@H](O)CCCC(=O)[O-]	ZINC000014781429	211101999	/nfs/dbraw/zinc/10/19/99/211101999.db2.gz	UXVRTOKOJOMENI-NRANRKRESA-N	-1	0	352.471	3.129	40	0	in-vitro	FGABRM
CC1=C[C@@H](CNS(=O)(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)[O-]	ZINC000030882159	220629755	/nfs/dbraw/zinc/62/97/55/220629755.db2.gz	VLVOTEXQVGZTSY-BQFCYCMXSA-N	-1	0	365.495	3.294	40	0	biogenic,in-vitro	FGABRM
COc1ccc(-c2nc(N3CCCCC3)sc2CC(=O)[O-])cc1OC	ZINC000095097190	221848697	/nfs/dbraw/zinc/84/86/97/221848697.db2.gz	NLEMPRUUKQYTME-UHFFFAOYSA-N	-1	0	362.451	3.445	40	0		FGABRM
C[C@]12CC[C@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@@H]3[C@@H]1CCC2=O	ZINC000003830788	493858000	/nfs/dbraw/zinc/85/80/00/493858000.db2.gz	JKKFKPJIXZFSSB-OVWQWFNUSA-N	-1	0	350.436	3.293	40	0	in-man	FGABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccc(Br)cc1F	ZINC000004155900	493866485	/nfs/dbraw/zinc/86/64/85/493866485.db2.gz	RFSAWFLJOSTZGY-BCWBERDBSA-N	-1	0	354.175	3.050	40	0		FGABRM
CC(=O)Nc1nc(-c2ccc(Br)cc2)c(CC(=O)[O-])s1	ZINC000031976098	493968642	/nfs/dbraw/zinc/96/86/42/493968642.db2.gz	BFVOXURDGALDAR-UHFFFAOYSA-N	-1	0	355.213	3.158	40	0		FGABRM
CCOC(=O)c1cc(C)sc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)[O-]	ZINC000006656039	493973153	/nfs/dbraw/zinc/97/31/53/493973153.db2.gz	ROMMXGFGJTUBFT-WVWOOGAGSA-N	-1	0	363.435	3.085	40	0		FGABRM
O=C([O-])c1ccc(-n2cccc2/C=N/NC(=O)c2cccc(F)c2)cc1	ZINC000006970041	493991453	/nfs/dbraw/zinc/99/14/53/493991453.db2.gz	HVIUNJPGYCMACG-CIAFOILYSA-N	-1	0	351.337	3.079	40	0		FGABRM
CCN(CC)c1ccc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)o1	ZINC000033653481	494061943	/nfs/dbraw/zinc/06/19/43/494061943.db2.gz	JOLMEWKHRULRCS-GXDHUFHOSA-N	-1	0	357.366	3.221	40	0		FGABRM
CC/C=C/C[C@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000033940294	494064494	/nfs/dbraw/zinc/06/44/94/494064494.db2.gz	CBOMORHDRONZRN-VHLLCSGWSA-N	-1	0	350.455	3.027	40	0		FGABRM
CSc1nc2ccc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])cc2s1	ZINC000036390285	494091186	/nfs/dbraw/zinc/09/11/86/494091186.db2.gz	PVNVPKFOMSETPD-VQSQSKOLSA-N	-1	0	360.460	3.480	40	0		FGABRM
Cc1ccc(Cl)cc1NC(=O)c1ccccc1NC(=O)/C=C\C(=O)[O-]	ZINC000038784945	494117425	/nfs/dbraw/zinc/11/74/25/494117425.db2.gz	DHMKNCBJEXZYSQ-HJWRWDBZSA-N	-1	0	358.781	3.480	40	0		FGABRM
C[C@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccc2c(c1)CCC2	ZINC000054287953	494217359	/nfs/dbraw/zinc/21/73/59/494217359.db2.gz	TVDUCKCWJCRVLX-ZDUSSCGKSA-N	-1	0	358.463	3.038	40	0		FGABRM
CCCn1cc2c(n1)nc(N1CCC(CC(=O)[O-])CC1)cc2C(F)F	ZINC000012398948	494230101	/nfs/dbraw/zinc/23/01/01/494230101.db2.gz	INQUQGCMPHDCAA-UHFFFAOYSA-N	-1	0	352.385	3.470	40	0		FGABRM
CCn1cc2c(n1)nc(N1CCC(CC(=O)[O-])CC1)cc2C(F)(F)F	ZINC000012398933	494230291	/nfs/dbraw/zinc/23/02/91/494230291.db2.gz	SWHKYCMYLIXAIH-UHFFFAOYSA-N	-1	0	356.348	3.161	40	0		FGABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)c1	ZINC000055555943	494360181	/nfs/dbraw/zinc/36/01/81/494360181.db2.gz	HZVVXZNAEFTXAU-UHFFFAOYSA-N	-1	0	351.424	3.130	40	0		FGABRM
CCc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(C(=O)[O-])c2)cc1	ZINC000020151608	494468658	/nfs/dbraw/zinc/46/86/58/494468658.db2.gz	NAQWCKGKLIDEGT-UHFFFAOYSA-N	-1	0	358.419	3.088	40	0		FGABRM
CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@@H](O)C[C@@H]1O	ZINC000027641262	494878903	/nfs/dbraw/zinc/87/89/03/494878903.db2.gz	PXGPLTODNUVGFL-RJSCSFJYSA-N	-1	0	354.487	3.043	40	0	in-vitro	FGABRM
Cc1noc(C)c1S(=O)(=O)[N-]c1nnc(-c2ccc(Cl)cc2)s1	ZINC000152686447	496226072	/nfs/dbraw/zinc/22/60/72/496226072.db2.gz	VYNWHEDWBOJYLI-UHFFFAOYSA-N	-1	0	370.843	3.264	40	0		FGABRM
CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1OC	ZINC000223253630	497034353	/nfs/dbraw/zinc/03/43/53/497034353.db2.gz	FWVFBQCWKANXFN-UHFFFAOYSA-N	-1	0	369.826	3.326	40	0		FGABRM
CCOc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccccc2Cl)cc1	ZINC000224581597	497051335	/nfs/dbraw/zinc/05/13/35/497051335.db2.gz	FWWANSOJMIXZTP-UHFFFAOYSA-N	-1	0	369.826	3.019	40	0		FGABRM
CSc1ccc(S(=O)(=O)N(CC(=O)[O-])c2c(C)cccc2C)cc1	ZINC000224972650	497054411	/nfs/dbraw/zinc/05/44/11/497054411.db2.gz	SVBSFUWUCGRKFE-UHFFFAOYSA-N	-1	0	365.476	3.305	40	0		FGABRM
O=C([O-])CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2ccccc2c1	ZINC000225053388	497056693	/nfs/dbraw/zinc/05/66/93/497056693.db2.gz	WHHBUDMOXZMCMX-UHFFFAOYSA-N	-1	0	359.378	3.259	40	0		FGABRM
CCCSc1nnc([N-]S(=O)(=O)c2ccc(OC)c(CC)c2)s1	ZINC000225757954	497074287	/nfs/dbraw/zinc/07/42/87/497074287.db2.gz	HAYIVTJSSRLQPX-UHFFFAOYSA-N	-1	0	373.525	3.412	40	0		FGABRM
CCOc1ccccc1-n1nc(C(=O)[O-])c(N(CC)Cc2ccccc2)n1	ZINC000256048538	497382461	/nfs/dbraw/zinc/38/24/61/497382461.db2.gz	UFYKYZATJSGEFE-UHFFFAOYSA-N	-1	0	366.421	3.391	40	0		FGABRM
O=C([O-])c1nn(-c2ccccc2F)nc1N1CC[C@H](c2ccccc2)C1	ZINC000256049444	497382674	/nfs/dbraw/zinc/38/26/74/497382674.db2.gz	ZXPSSDTZGZOXIF-AWEZNQCLSA-N	-1	0	352.369	3.099	40	0		FGABRM
CCOc1ccc(-n2nc(C(=O)[O-])c(N(CC)Cc3ccccc3)n2)cc1	ZINC000256046076	497382944	/nfs/dbraw/zinc/38/29/44/497382944.db2.gz	CNSBHKPCAMGIMB-UHFFFAOYSA-N	-1	0	366.421	3.391	40	0		FGABRM
O=C([O-])c1cnc(N2CCc3ccccc3C2)nc1Cc1cccc(F)c1	ZINC000585265791	507582771	/nfs/dbraw/zinc/58/27/71/507582771.db2.gz	RPVDZGIMFHYJFM-UHFFFAOYSA-N	-1	0	363.392	3.467	40	0		FGABRM
CCOc1ccc2nc([N-]c3nc(C)c(C(=O)OC)c(C)n3)nc(C)c2c1	ZINC000020634103	521305715	/nfs/dbraw/zinc/30/57/15/521305715.db2.gz	HKIAOZJBNGMYRV-UHFFFAOYSA-N	-1	0	367.409	3.274	40	0		FGABRM
CC[C@@H](C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1ccccc1	ZINC000217471367	522232807	/nfs/dbraw/zinc/23/28/07/522232807.db2.gz	SELVFOVEBMJOSO-CYBMUJFWSA-N	-1	0	362.451	3.074	40	0		FGABRM
CC(C)(C)C(=O)N1CC[C@H](Cc2cc(-c3ccccc3C(=O)[O-])ncn2)C1	ZINC000257237012	527578108	/nfs/dbraw/zinc/57/81/08/527578108.db2.gz	HEUZAMVRPOBVHD-CQSZACIVSA-N	-1	0	367.449	3.279	40	0		FGABRM
CC1CCN(c2nnc(N3CCC(C(=O)[O-])CC3)c3ccccc32)CC1	ZINC000072221330	535286685	/nfs/dbraw/zinc/28/66/85/535286685.db2.gz	PPRALEKJNSBWEE-UHFFFAOYSA-N	-1	0	354.454	3.167	40	0		FGABRM
O=C([O-])c1ccccc1C1CCN(C(=O)Nc2ccc(C3CC3)nn2)CC1	ZINC000669501248	571179160	/nfs/dbraw/zinc/17/91/60/571179160.db2.gz	ASNABWSAMUECEV-UHFFFAOYSA-N	-1	0	366.421	3.464	40	0		FGABRM
CC(=O)c1cc2c(cc1[N-]S(=O)(=O)c1cccc(Cl)c1)OCO2	ZINC000001351247	210179544	/nfs/dbraw/zinc/17/95/44/210179544.db2.gz	CRMCDVXCZFLTMS-UHFFFAOYSA-N	-1	0	353.783	3.072	40	0		FGABRM
O=C([O-])c1cc(NC(=S)NC(=O)c2ccco2)c(Cl)cc1Cl	ZINC000020152401	210172610	/nfs/dbraw/zinc/17/26/10/210172610.db2.gz	GLEZANASVIMMGW-UHFFFAOYSA-N	-1	0	359.190	3.411	40	0		FGABRM
COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c1	ZINC000063146759	212032197	/nfs/dbraw/zinc/03/21/97/212032197.db2.gz	WJJRMARJGGVEPB-UHFFFAOYSA-N	-1	0	357.790	3.375	40	0		FGABRM
COc1ccccc1C(=O)NC(=S)Nc1ccc(Cl)cc1C(=O)[O-]	ZINC000016228386	220181118	/nfs/dbraw/zinc/18/11/18/220181118.db2.gz	HAONEYVOWULUCL-UHFFFAOYSA-N	-1	0	364.810	3.174	40	0		FGABRM
O=C([O-])c1cc(I)c(Cl)cc1Br	ZINC000040571565	211747595	/nfs/dbraw/zinc/74/75/95/211747595.db2.gz	RUDLUDUHJDCMEX-UHFFFAOYSA-N	-1	0	361.360	3.405	40	0		FGABRM
CCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc1OC	ZINC000020151138	211271502	/nfs/dbraw/zinc/27/15/02/211271502.db2.gz	WKLPCENKRHWXTN-WEVVVXLNSA-N	-1	0	357.362	3.150	40	0		FGABRM
Cc1ccc(N[C@H]2CC(=O)N(c3cc(C(=O)[O-])ccc3C)C2=O)cc1C	ZINC000016901138	211171300	/nfs/dbraw/zinc/17/13/00/211171300.db2.gz	UIVRDTYAUDVRIZ-INIZCTEOSA-N	-1	0	352.390	3.054	40	0		FGABRM
O=c1c([C@H](O)c2ccc(F)cc2)c(C(F)(F)F)[n-]n1-c1ccccc1	ZINC000005603873	210632347	/nfs/dbraw/zinc/63/23/47/210632347.db2.gz	LJBVEUYYLADQPN-ZIAGYGMSSA-N	-1	0	352.287	3.440	40	0		FGABRM
CCOC(=O)C1=NN(c2cc(Cl)c(Cl)cc2Cl)[C@@H](C(=O)[O-])C1	ZINC000071979254	221393171	/nfs/dbraw/zinc/39/31/71/221393171.db2.gz	YWORUKAMDPEQFH-LLVKDONJSA-N	-1	0	365.600	3.229	40	0		FGABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(Br)cc1F	ZINC000101571237	222277786	/nfs/dbraw/zinc/27/77/86/222277786.db2.gz	RFSAWFLJOSTZGY-XXHBBNRNSA-N	-1	0	354.175	3.050	40	0		FGABRM
O=C1c2ccccc2C(=O)N1CCCc1n[n-]c(=S)n1-c1ccccc1	ZINC000005332116	263340339	/nfs/dbraw/zinc/34/03/39/263340339.db2.gz	KIQHRDNGZDLTNE-UHFFFAOYSA-N	-1	0	364.430	3.159	40	0		FGABRM
CCO[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000002382549	493806785	/nfs/dbraw/zinc/80/67/85/493806785.db2.gz	CUBBXMGQJYSGLW-ORAYPTAESA-N	-1	0	369.417	3.403	40	0		FGABRM
COc1ccc(C(=O)Nc2cc(OC)c(C(=O)[O-])cc2Cl)cc1OC	ZINC000005745382	493941784	/nfs/dbraw/zinc/94/17/84/493941784.db2.gz	QVPWXULYKOESPC-UHFFFAOYSA-N	-1	0	365.769	3.316	40	0		FGABRM
O=C([O-])c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1	ZINC000006527965	493966242	/nfs/dbraw/zinc/96/62/42/493966242.db2.gz	QVSVNMGJFKRENY-UHFFFAOYSA-N	-1	0	368.158	3.304	40	0		FGABRM
C[C@H](C(=O)[O-])n1ccc2c(cnc3c(-c4ccc(Cl)cc4)cnn32)c1=O	ZINC000040397307	494142034	/nfs/dbraw/zinc/14/20/34/494142034.db2.gz	PSHDTQSVMONRMZ-SNVBAGLBSA-N	-1	0	368.780	3.010	40	0		FGABRM
CCn1nc2nc(N3CCC(CC(=O)[O-])CC3)cc(C(F)F)c2c1C	ZINC000012398934	494229850	/nfs/dbraw/zinc/22/98/50/494229850.db2.gz	DGZOYIFPVBCVPD-UHFFFAOYSA-N	-1	0	352.385	3.388	40	0		FGABRM
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCCC(=O)[O-])cc1	ZINC000044022278	494335751	/nfs/dbraw/zinc/33/57/51/494335751.db2.gz	HUDPDNJSHLYMLA-QBDRBRNDSA-N	-1	0	356.422	3.142	40	0		FGABRM
Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)c1	ZINC000216305209	496988183	/nfs/dbraw/zinc/98/81/83/496988183.db2.gz	RPVYILWVQSKSQI-UHFFFAOYSA-N	-1	0	367.430	3.443	40	0		FGABRM
CCC[C@@H](C)Nc1ccc(S(=O)(=O)N[C@@H](C)CCC)cc1C(=O)[O-]	ZINC000217661520	496999246	/nfs/dbraw/zinc/99/92/46/496999246.db2.gz	GVMYTMDHVUISOD-OLZOCXBDSA-N	-1	0	356.488	3.452	40	0		FGABRM
COC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1	ZINC000223640058	497040999	/nfs/dbraw/zinc/04/09/99/497040999.db2.gz	IHRZXXMBFOFSQB-UHFFFAOYSA-N	-1	0	363.435	3.208	40	0		FGABRM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2OC)c1C	ZINC000223692461	497042273	/nfs/dbraw/zinc/04/22/73/497042273.db2.gz	VMBJONFJHLOQHP-UHFFFAOYSA-N	-1	0	367.398	3.120	40	0		FGABRM
O=C([O-])CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cccs1	ZINC000225137671	497057114	/nfs/dbraw/zinc/05/71/14/497057114.db2.gz	NKTMEVABGPSALN-UHFFFAOYSA-N	-1	0	365.354	3.047	40	0		FGABRM
COc1cc(OC)cc(-c2nnc(SCc3ccc(C(=O)[O-])o3)o2)c1	ZINC000408554538	499592100	/nfs/dbraw/zinc/59/21/00/499592100.db2.gz	UBGCGOFDYBAIBY-UHFFFAOYSA-N	-1	0	362.363	3.337	40	0		FGABRM
O=C([O-])CCc1ccc(-c2ccccc2)n1NC(=O)c1ccccc1O	ZINC000408561973	499592165	/nfs/dbraw/zinc/59/21/65/499592165.db2.gz	MGLUBYLNUFNQBD-UHFFFAOYSA-N	-1	0	350.374	3.262	40	0		FGABRM
CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)OC)cc1	ZINC000408557418	499592171	/nfs/dbraw/zinc/59/21/71/499592171.db2.gz	MPOMKLJRARQLKY-UHFFFAOYSA-N	-1	0	369.826	3.326	40	0		FGABRM
CCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NCCC1=CCCCC1	ZINC000217412974	519980424	/nfs/dbraw/zinc/98/04/24/519980424.db2.gz	QCPCTEMMJFVVHD-UHFFFAOYSA-N	-1	0	366.483	3.376	40	0		FGABRM
CCc1nc(SC(=Cc2ccc(Br)s2)C(=O)[O-])n[nH]1	ZINC000213403503	567952991	/nfs/dbraw/zinc/95/29/91/567952991.db2.gz	CKQVXHPOPFHUQQ-ALCCZGGFSA-N	-1	0	360.258	3.409	40	0		FGABRM
O=C([O-])c1c(OCC2CC2)cnc2cccc(I)c21	ZINC000685937750	571319023	/nfs/dbraw/zinc/31/90/23/571319023.db2.gz	ZJVFZHNCQMVUPU-UHFFFAOYSA-N	-1	0	369.158	3.326	40	0		FGABRM
O=C([O-])c1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)ccc1F	ZINC000003019537	210227307	/nfs/dbraw/zinc/22/73/07/210227307.db2.gz	YDBMQWXHEADKLU-UHFFFAOYSA-N	-1	0	363.288	3.344	40	0		FGABRM
COc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)ccc1OCc1ccc(F)cc1	ZINC000000807743	219323507	/nfs/dbraw/zinc/32/35/07/219323507.db2.gz	LWDWLSYLSWKUCE-WMLDXEAASA-N	-1	0	363.410	3.202	40	0		FGABRM
CCc1ccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2OC)cc1	ZINC000009064177	219874689	/nfs/dbraw/zinc/87/46/89/219874689.db2.gz	AUWDIBFAKUNSCD-UHFFFAOYSA-N	-1	0	358.419	3.083	40	0		FGABRM
Cc1cc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc(C(=O)[O-])c1O	ZINC000020151926	211270274	/nfs/dbraw/zinc/27/02/74/211270274.db2.gz	QZYQLZWMCNHCCZ-UHFFFAOYSA-N	-1	0	364.810	3.179	40	0		FGABRM
CC/C=C/C[C@H](O)/C=C\[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000013521623	211037114	/nfs/dbraw/zinc/03/71/14/211037114.db2.gz	ANOICLBSJIMQTA-FIFTXNHPSA-N	-1	0	350.455	3.027	40	0	in-vitro	FGABRM
CS(=O)(=O)[N-]c1ccccc1C(=O)NCCCc1ccccc1Cl	ZINC000107279085	222392443	/nfs/dbraw/zinc/39/24/43/222392443.db2.gz	VGNIMCBPTXWRCU-UHFFFAOYSA-N	-1	0	366.870	3.074	40	0		FGABRM
CCCCC[C@H](O)/C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000005023919	493909120	/nfs/dbraw/zinc/90/91/20/493909120.db2.gz	XEYBRNLFEZDVAW-NGDVDMEJSA-N	-1	0	352.471	3.251	40	0		FGABRM
COc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc(OC)c1	ZINC000006415913	493963501	/nfs/dbraw/zinc/96/35/01/493963501.db2.gz	ZTIILERKBDFJMX-UHFFFAOYSA-N	-1	0	357.815	3.167	40	0		FGABRM
Cc1n[nH]c(SC(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)[O-])n1	ZINC000006588319	493969005	/nfs/dbraw/zinc/96/90/05/493969005.db2.gz	IJJHORWLZVMRFV-ZSOIEALJSA-N	-1	0	372.362	3.499	40	0		FGABRM
Cc1cc(C)cc(OCC(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2C)c1	ZINC000006613951	493970149	/nfs/dbraw/zinc/97/01/49/493970149.db2.gz	QGEPHWKMSKLXMX-UHFFFAOYSA-N	-1	0	372.446	3.202	40	0		FGABRM
O=C([O-])c1n[nH]c(-c2ccc(Br)s2)c1Br	ZINC000038478105	494114003	/nfs/dbraw/zinc/11/40/03/494114003.db2.gz	CGDCIYIQAIPESQ-UHFFFAOYSA-N	-1	0	352.007	3.361	40	0		FGABRM
CCC(CC)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000010055012	494141511	/nfs/dbraw/zinc/14/15/11/494141511.db2.gz	NRMWSFMITZBOTP-UHFFFAOYSA-N	-1	0	352.481	3.467	40	0		FGABRM
Cc1nnc([N-]c2cc([C@H]3CCCN3Cc3cccnc3)nc(C)n2)s1	ZINC000072360214	494158167	/nfs/dbraw/zinc/15/81/67/494158167.db2.gz	SQQMLFVQNWRZJP-MRXNPFEDSA-N	-1	0	367.482	3.421	40	0		FGABRM
Cc1cnc([N-]c2nccc([C@H]3CCCCN3Cc3ncc[nH]3)n2)s1	ZINC000072378062	494160588	/nfs/dbraw/zinc/16/05/88/494160588.db2.gz	BGLIBGXHOIRUAM-CQSZACIVSA-N	-1	0	355.471	3.435	40	0		FGABRM
Cc1ccc(C(=O)N2CCCC[C@H]2c2cc3nc(C)c(C)c(=O)n3[n-]2)cn1	ZINC000012161576	494210565	/nfs/dbraw/zinc/21/05/65/494210565.db2.gz	WKWPHTLZYMLCHE-KRWDZBQOSA-N	-1	0	365.437	3.123	40	0		FGABRM
CCc1c(C)nc2cc([C@@H]3CCCCN3C(=O)c3ccncc3)[n-]n2c1=O	ZINC000012276319	494219428	/nfs/dbraw/zinc/21/94/28/494219428.db2.gz	WXOWLHDCLUPOIJ-KRWDZBQOSA-N	-1	0	365.437	3.068	40	0		FGABRM
CC(C)(C)OC(=O)N1CCN([C@H](C(=O)[O-])c2cc3ccccc3o2)CC1	ZINC000090635883	494490888	/nfs/dbraw/zinc/49/08/88/494490888.db2.gz	GIZPNRGDVRHGSI-INIZCTEOSA-N	-1	0	360.410	3.111	40	0		FGABRM
O=c1/c(=C/c2cc(Cl)cc(Cl)c2[O-])sc2nc3ccccc3n12	ZINC000110294763	494965757	/nfs/dbraw/zinc/96/57/57/494965757.db2.gz	IZMXOJHBFHGIGM-MLPAPPSSSA-N	-1	0	363.225	3.469	40	0		FGABRM
C[C@H](NS(=O)(=O)c1ccc(N2CCCC2)c(C(=O)[O-])c1)c1ccccc1	ZINC000217611940	496999239	/nfs/dbraw/zinc/99/92/39/496999239.db2.gz	AGVSJLXHXAEWNG-AWEZNQCLSA-N	-1	0	374.462	3.025	40	0		FGABRM
O=C([O-])[C@H]1[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218550100	497003936	/nfs/dbraw/zinc/00/39/36/497003936.db2.gz	LYIFPDMBKRPOME-KKUMJFAQSA-N	-1	0	354.786	3.120	40	0		FGABRM
CCOc1cccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000224718564	497052143	/nfs/dbraw/zinc/05/21/43/497052143.db2.gz	CFAYDHXWHATCAA-UHFFFAOYSA-N	-1	0	369.826	3.019	40	0		FGABRM
O=C([O-])C1(c2ccccc2)CCN(CC(=O)Nc2ccccc2Cl)CC1	ZINC000408547558	499591897	/nfs/dbraw/zinc/59/18/97/499591897.db2.gz	YZMDEPBFVDVXGS-UHFFFAOYSA-N	-1	0	372.852	3.397	40	0		FGABRM
Cc1ccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c(C)c1	ZINC000223324240	222774453	/nfs/dbraw/zinc/77/44/53/222774453.db2.gz	CLBFIUYEVFZHPX-UHFFFAOYSA-N	-1	0	352.799	3.192	40	0		FGABRM
COc1cc([C@H]2N[C@H](C(=O)[O-])CS2)ccc1OCc1ccccc1F	ZINC000000807746	219323366	/nfs/dbraw/zinc/32/33/66/219323366.db2.gz	KLPWHUAYTUWVLV-YOEHRIQHSA-N	-1	0	363.410	3.202	40	0		FGABRM
Cc1ccc(OCc2nnc(SCC(=O)[O-])n2-c2ccc(F)cc2)cc1	ZINC000000904770	219339126	/nfs/dbraw/zinc/33/91/26/219339126.db2.gz	YTAFMBGZHHYSOD-UHFFFAOYSA-N	-1	0	373.409	3.471	40	0		FGABRM
CSc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(C)c(C)c2)cc1	ZINC000224973233	222824555	/nfs/dbraw/zinc/82/45/55/222824555.db2.gz	MMUYQNYRVUXYBV-UHFFFAOYSA-N	-1	0	365.476	3.305	40	0		FGABRM
COc1ccccc1C(=O)NC(=S)Nc1cc(C(=O)[O-])ccc1Cl	ZINC000006762516	219767141	/nfs/dbraw/zinc/76/71/41/219767141.db2.gz	HDENFGOREXGXTH-UHFFFAOYSA-N	-1	0	364.810	3.174	40	0		FGABRM
O=c1cc(C(F)(F)F)nc2[n-]c(SCc3ccc(Cl)cc3)nn21	ZINC000010157020	219895034	/nfs/dbraw/zinc/89/50/34/219895034.db2.gz	HMGWZOINIQYRQI-UHFFFAOYSA-N	-1	0	360.748	3.382	40	0		FGABRM
O=c1c2c(nc3cc(C4CC4)[n-]n31)CCN(Cc1ccc(F)c(F)c1)C2	ZINC000012667075	220016863	/nfs/dbraw/zinc/01/68/63/220016863.db2.gz	RUXCTWOXQHOJMJ-UHFFFAOYSA-N	-1	0	356.376	3.149	40	0		FGABRM
O=C([O-])[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)Nc1ccc(Cc2ccncc2)cc1	ZINC000013471345	220068111	/nfs/dbraw/zinc/06/81/11/220068111.db2.gz	ISNROLLRICGDTA-OGWHTMIXSA-N	-1	0	350.418	3.358	40	0		FGABRM
O=C([O-])COc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2)C1=O	ZINC000016909916	220197108	/nfs/dbraw/zinc/19/71/08/220197108.db2.gz	HZYMHZBGXJTBTF-MHWRWJLKSA-N	-1	0	369.398	3.387	40	0		FGABRM
COc1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1Br	ZINC000020137814	220314253	/nfs/dbraw/zinc/31/42/53/220314253.db2.gz	OGZZXIDCWYTMTP-UHFFFAOYSA-N	-1	0	350.168	3.408	40	0		FGABRM
CCCCC[C@H](O)/C=C/[C@H]1[C@@H](O)C[C@@H](O)[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000027641118	220542672	/nfs/dbraw/zinc/54/26/72/220542672.db2.gz	PXGPLTODNUVGFL-DCCGFWISSA-N	-1	0	354.487	3.043	40	0	endogenous,in-man	FGABRM
O=C([O-])[C@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1	ZINC000049466872	221023468	/nfs/dbraw/zinc/02/34/68/221023468.db2.gz	UDRJSCLXUBYWKD-SNRMKQJTSA-N	-1	0	351.402	3.231	40	0		FGABRM
CC(C)c1ccc(-n2nnc(C(=O)[O-])c2CSc2ncccn2)cc1	ZINC000085398287	221732602	/nfs/dbraw/zinc/73/26/02/221732602.db2.gz	DASCWXVYZPLQRR-UHFFFAOYSA-N	-1	0	355.423	3.171	40	0		FGABRM
COc1ccc(-c2noc([C@@H](C)NC(=O)NC(C)(C)C)c2C(=O)[O-])cc1	ZINC000096297066	222112400	/nfs/dbraw/zinc/11/24/00/222112400.db2.gz	VRABVHDYXWTUJL-SNVBAGLBSA-N	-1	0	361.398	3.207	40	0	biogenic,in-vitro	FGABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)N1CCC(Cc2ccccc2)CC1	ZINC000102662406	222304271	/nfs/dbraw/zinc/30/42/71/222304271.db2.gz	MPAMPYQNHQCHKW-YRPNKDGESA-N	-1	0	353.462	3.381	40	0		FGABRM
C[C@H]1c2c(cc([O-])n(Cc3ccccc3)c2=O)C(=O)N1Cc1ccccc1	ZINC000104297893	222353818	/nfs/dbraw/zinc/35/38/18/222353818.db2.gz	PBFPYDPKRDUZNU-HNNXBMFYSA-N	-1	0	360.413	3.319	40	0		FGABRM
O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc(C(=O)[O-])cc1	ZINC000006228762	263344556	/nfs/dbraw/zinc/34/45/56/263344556.db2.gz	QJGRFFRVGLVHSS-UHFFFAOYSA-N	-1	0	369.402	3.089	40	0		FGABRM
CCOC([O-])=NC(=O)C(=O)c1cn(Cc2ccccc2)c2ccccc12	ZINC000001708640	493798333	/nfs/dbraw/zinc/79/83/33/493798333.db2.gz	JQWYQSYBVQXQGX-UHFFFAOYSA-N	-1	0	350.374	3.145	40	0		FGABRM
CC1=C[C@@H](CNS(=O)(=O)c2cccs2)[C@H](C(C)C)C[C@H]1CC(=O)[O-]	ZINC000030882187	493911929	/nfs/dbraw/zinc/91/19/29/493911929.db2.gz	NIGOAAVROSJHEW-KKUMJFAQSA-N	-1	0	371.524	3.356	40	0	biogenic,in-vitro	FGABRM
CCOc1cc(/C=C(\Sc2nnc(CC)o2)C(=O)[O-])ccc1OC	ZINC000007342693	494016972	/nfs/dbraw/zinc/01/69/72/494016972.db2.gz	UKTBUJMJXRGPIN-LCYFTJDESA-N	-1	0	350.396	3.257	40	0		FGABRM
CCOc1ccc(Br)cc1/C=C/C(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000062714762	494021749	/nfs/dbraw/zinc/02/17/49/494021749.db2.gz	LBZBPGYXLJPXOI-SBJJXXPASA-N	-1	0	370.243	3.086	40	0		FGABRM
C[C@@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(Br)cc1	ZINC000035135235	494071875	/nfs/dbraw/zinc/07/18/75/494071875.db2.gz	UVJIISQDDCKQAQ-SWHYSGLUSA-N	-1	0	352.228	3.293	40	0		FGABRM
Cc1nc(C)c(C(=O)N2CCCC[C@@H]2c2cc3nc(C)cc(=O)n3[n-]2)s1	ZINC000012337802	494225555	/nfs/dbraw/zinc/22/55/55/494225555.db2.gz	NVPPVNWGABHZIB-CQSZACIVSA-N	-1	0	371.466	3.184	40	0		FGABRM
O=C([O-])c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1	ZINC000013259680	494283616	/nfs/dbraw/zinc/28/36/16/494283616.db2.gz	OSMHNXFRFXAPCN-LBPRGKRZSA-N	-1	0	358.781	3.030	40	0		FGABRM
CCCCC[C@@H](O)/C=C\C=C\C=C/C=C\[C@@H](O)[C@@H](O)CCCC(=O)[O-]	ZINC000014952975	494330305	/nfs/dbraw/zinc/33/03/05/494330305.db2.gz	IXAQOQZEOGMIQS-MZPKCHODSA-N	-1	0	352.471	3.129	40	0	in-vitro	FGABRM
O=C([O-])c1ccc(CNC(=S)NC(=O)c2cccc3ccccc32)cc1	ZINC000020152218	494468435	/nfs/dbraw/zinc/46/84/35/494468435.db2.gz	RJSCEVAWJNNPMO-UHFFFAOYSA-N	-1	0	364.426	3.343	40	0		FGABRM
COc1ccc(-c2nc3ccccc3s2)cc1N1C[C@@H](C(=O)[O-])CC1=O	ZINC000045887043	494473473	/nfs/dbraw/zinc/47/34/73/494473473.db2.gz	JQEAEWKZVSLZIF-LBPRGKRZSA-N	-1	0	368.414	3.409	40	0		FGABRM
CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1Cl	ZINC000026529571	494830711	/nfs/dbraw/zinc/83/07/11/494830711.db2.gz	WEFBRFHGUQFUKO-UHFFFAOYSA-N	-1	0	369.826	3.326	40	0		FGABRM
O=C([O-])COc1ccccc1/C=C1\SC(=O)N(c2ccccc2)C1=O	ZINC000210434551	496975722	/nfs/dbraw/zinc/97/57/22/496975722.db2.gz	VJZKGHMAEFCYPK-GDNBJRDFSA-N	-1	0	355.371	3.391	40	0		FGABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)C1CCCCC1	ZINC000216346928	496988586	/nfs/dbraw/zinc/98/85/86/496988586.db2.gz	RQHIDGJRZYZTMB-UHFFFAOYSA-N	-1	0	359.451	3.401	40	0		FGABRM
CCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1N[C@@H](C)c1ccccc1	ZINC000217413577	496997913	/nfs/dbraw/zinc/99/79/13/496997913.db2.gz	YURYWLKORAAYLF-ZDUSSCGKSA-N	-1	0	362.451	3.246	40	0		FGABRM
CCCCNS(=O)(=O)c1ccc(NC2CCCCC2)c(C(=O)[O-])c1	ZINC000217549626	496998105	/nfs/dbraw/zinc/99/81/05/496998105.db2.gz	NOENCZCGFRLZFL-UHFFFAOYSA-N	-1	0	354.472	3.208	40	0		FGABRM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC)c1	ZINC000223475188	497037085	/nfs/dbraw/zinc/03/70/85/497037085.db2.gz	HGUJNMHDYUKBQJ-UHFFFAOYSA-N	-1	0	369.826	3.326	40	0		FGABRM
COc1ccc(C(=O)OC(C)C)cc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000223641618	497041223	/nfs/dbraw/zinc/04/12/23/497041223.db2.gz	UEKGCJMCOSBZGC-UHFFFAOYSA-N	-1	0	363.435	3.370	40	0		FGABRM
CCOc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cccc(Cl)c2)cc1	ZINC000224582025	497050578	/nfs/dbraw/zinc/05/05/78/497050578.db2.gz	JBIDDAGFWPDQRX-UHFFFAOYSA-N	-1	0	369.826	3.019	40	0		FGABRM
O=C([O-])[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)N1CCOCC1	ZINC000225151293	497057289	/nfs/dbraw/zinc/05/72/89/497057289.db2.gz	NZTBSTIEXCGICO-QGZVFWFLSA-N	-1	0	361.825	3.460	40	0		FGABRM
CN([C@H](Cc1cccc2ccccc21)C(=O)[O-])S(=O)(=O)c1ccccc1	ZINC000260680946	497406065	/nfs/dbraw/zinc/40/60/65/497406065.db2.gz	YZKNUAGFCJQVFH-LJQANCHMSA-N	-1	0	369.442	3.156	40	0		FGABRM
COc1ccc(S(=O)(=O)[N-]c2nnc(CC3CCCCC3)o2)c(F)c1	ZINC000333504382	499019441	/nfs/dbraw/zinc/01/94/41/499019441.db2.gz	DDLXMUFQNHNKRV-UHFFFAOYSA-N	-1	0	369.418	3.141	40	0		FGABRM
O=C(NC1CC1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000408544122	499591818	/nfs/dbraw/zinc/59/18/18/499591818.db2.gz	HJSCLLCPSJNZOL-UHFFFAOYSA-N	-1	0	350.827	3.033	40	0		FGABRM
CC(=O)N1CCCC[C@@H]1c1cc(-c2cc(F)ccc2C(=O)[O-])nc(C)n1	ZINC000257222858	526552871	/nfs/dbraw/zinc/55/28/71/526552871.db2.gz	DUXKNCHXLHYBGW-GOSISDBHSA-N	-1	0	357.385	3.363	40	0		FGABRM
COc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)ccc1OCc1ccc(C)cc1	ZINC000000807733	219323227	/nfs/dbraw/zinc/32/32/27/219323227.db2.gz	OLLMFCQVPPGTLQ-CRAIPNDOSA-N	-1	0	359.447	3.371	40	0		FGABRM
CCCCC[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000003830707	219526543	/nfs/dbraw/zinc/52/65/43/219526543.db2.gz	PXGPLTODNUVGFL-LBHGIJFJSA-N	-1	0	354.487	3.043	40	0	in-vitro	FGABRM
CCCCC[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000005978208	219708059	/nfs/dbraw/zinc/70/80/59/219708059.db2.gz	LLQBSJQTCKVWTD-PUVGAGERSA-N	-1	0	356.503	3.267	40	0	in-man	FGABRM
O=C([O-])c1ccccc1-n1cc(CN2CCCC[C@H]2c2cc[nH]n2)cn1	ZINC000257312095	223062259	/nfs/dbraw/zinc/06/22/59/223062259.db2.gz	UMMXSBCNPVEFKL-SFHVURJKSA-N	-1	0	351.410	3.021	40	0		FGABRM
Cc1ccc(Nc2cc(-c3ccccc3)nc(NCC(=O)[O-])n2)cc1Cl	ZINC000329045546	223130644	/nfs/dbraw/zinc/13/06/44/223130644.db2.gz	TWNISVGUCXIDCQ-UHFFFAOYSA-N	-1	0	368.824	3.189	40	0		FGABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](CC2)[C@@H]1C(=O)N1CCC(Cc2ccccc2)CC1	ZINC000013321097	220063414	/nfs/dbraw/zinc/06/34/14/220063414.db2.gz	MPAMPYQNHQCHKW-FYQPLNBISA-N	-1	0	353.462	3.381	40	0		FGABRM
Cc1cc(C)cc(NC(=O)CSc2nc3[nH]c(=O)cc([O-])c3s2)c1	ZINC000013119402	220058457	/nfs/dbraw/zinc/05/84/57/220058457.db2.gz	DPIWPMODISEBTN-UHFFFAOYSA-N	-1	0	361.448	3.038	40	0		FGABRM
O=C([O-])c1ccc(Cl)c(NC(=O)c2cncc(Br)c2)c1	ZINC000020143485	220315811	/nfs/dbraw/zinc/31/58/11/220315811.db2.gz	PRBVYZRFCQVWHN-UHFFFAOYSA-N	-1	0	355.575	3.448	40	0		FGABRM
CCn1ccc(-c2cc(=O)n3[n-]c(COC)c(-c4ccc(C)cc4)c3n2)n1	ZINC000100733023	222251141	/nfs/dbraw/zinc/25/11/41/222251141.db2.gz	GVHOMCHWGLAOGW-UHFFFAOYSA-N	-1	0	363.421	3.440	40	0		FGABRM
O=C([O-])Cc1c[nH]c(=S)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1=O	ZINC000020156344	263378823	/nfs/dbraw/zinc/37/88/23/263378823.db2.gz	CXZQHEWYQNGUPR-UHFFFAOYSA-N	-1	0	364.732	3.194	40	0		FGABRM
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2Cl)cc1	ZINC000020450353	263380955	/nfs/dbraw/zinc/38/09/55/263380955.db2.gz	NHKIRNWSJZRBDF-UHFFFAOYSA-N	-1	0	352.843	3.151	40	0		FGABRM
CC(C)C[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)[O-]	ZINC000005199769	493919574	/nfs/dbraw/zinc/91/95/74/493919574.db2.gz	VPXLZWQMFDUXIJ-KRWDZBQOSA-N	-1	0	354.406	3.168	40	0		FGABRM
CC(C)n1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c2ccccc21	ZINC000006348037	493960267	/nfs/dbraw/zinc/96/02/67/493960267.db2.gz	NSBGLSIGSUIMRC-LICLKQGHSA-N	-1	0	374.400	3.284	40	0		FGABRM
CCc1nnc(C2=C([O-])C(=Cc3cccc(OC)c3O)SC2=N)s1	ZINC000006420152	493962993	/nfs/dbraw/zinc/96/29/93/493962993.db2.gz	XATIKRUNFMQJDD-BFALPOOFSA-N	-1	0	361.448	3.233	40	0		FGABRM
CCCCC[C@H](O)/C=C/C=C\C=C\C=C\[C@@H](O)[C@H](O)CCCC(=O)[O-]	ZINC000034094954	494065201	/nfs/dbraw/zinc/06/52/01/494065201.db2.gz	IXAQOQZEOGMIQS-HPFZVSMGSA-N	-1	0	352.471	3.129	40	0	in-vitro	FGABRM
CCCCCNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000009859213	494134531	/nfs/dbraw/zinc/13/45/31/494134531.db2.gz	DMWBZNTYCRHARU-UHFFFAOYSA-N	-1	0	352.481	3.469	40	0		FGABRM
CCc1c(C)nc2cc([C@H]3CCCCN3C(=O)c3cscn3)[n-]n2c1=O	ZINC000012161775	494210374	/nfs/dbraw/zinc/21/03/74/494210374.db2.gz	SVZIBDKYLBTQOZ-OAHLLOKOSA-N	-1	0	371.466	3.130	40	0		FGABRM
COc1ccc2c(C[C@@H](NC(=O)OCc3ccccc3)C(=O)[O-])c[nH]c2c1	ZINC000044909844	494388256	/nfs/dbraw/zinc/38/82/56/494388256.db2.gz	PQVQYQWOSAUWIZ-GOSISDBHSA-N	-1	0	368.389	3.099	40	0		FGABRM
Cc1cc(C)c(-c2nc(N3CCN(C)CC3)sc2CC(=O)[O-])c(C)c1	ZINC000095097131	494960242	/nfs/dbraw/zinc/96/02/42/494960242.db2.gz	XWHIRCSUOCXMAS-UHFFFAOYSA-N	-1	0	359.495	3.114	40	0		FGABRM
COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)c1	ZINC000145552580	495556023	/nfs/dbraw/zinc/55/60/23/495556023.db2.gz	WMCFPPJDMUWKFC-UHFFFAOYSA-N	-1	0	373.789	3.075	40	0		FGABRM
CCSc1ccccc1NC(=O)c1ccccc1[N-]S(C)(=O)=O	ZINC000216472435	496989338	/nfs/dbraw/zinc/98/93/38/496989338.db2.gz	XOKZGJZHJCIRLA-UHFFFAOYSA-N	-1	0	350.465	3.422	40	0		FGABRM
CCCNS(=O)(=O)c1ccc(N[C@H](C)c2ccccc2)c(C(=O)[O-])c1	ZINC000217543215	496998025	/nfs/dbraw/zinc/99/80/25/496998025.db2.gz	QRVPVFITGAKZPO-CYBMUJFWSA-N	-1	0	362.451	3.246	40	0		FGABRM
CCc1cccc(C)c1[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl	ZINC000223324493	497035104	/nfs/dbraw/zinc/03/51/04/497035104.db2.gz	KUUVSCVHNYUKIC-UHFFFAOYSA-N	-1	0	366.826	3.446	40	0		FGABRM
COc1ccc(S(=O)(=O)[N-]c2nnc(SC(C)C)s2)c(C)c1C	ZINC000223522685	497038733	/nfs/dbraw/zinc/03/87/33/497038733.db2.gz	BBICFPOXZIGOAA-UHFFFAOYSA-N	-1	0	373.525	3.465	40	0		FGABRM
CCOc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)cc1	ZINC000224406622	497049708	/nfs/dbraw/zinc/04/97/08/497049708.db2.gz	CTSUXKMIESBWQM-UHFFFAOYSA-N	-1	0	361.448	3.405	40	0		FGABRM
CCOc1cc(I)cc(C(=O)[O-])c1OC(C)C	ZINC000225282258	497059420	/nfs/dbraw/zinc/05/94/20/497059420.db2.gz	MZXFHYUXZWRUKQ-UHFFFAOYSA-N	-1	0	350.152	3.175	40	0		FGABRM
CCCCc1ccc(NC(=O)c2sc([N-]S(C)(=O)=O)nc2C)cc1	ZINC000225878827	497078772	/nfs/dbraw/zinc/07/87/72/497078772.db2.gz	XAWCYCJVHHMPNX-UHFFFAOYSA-N	-1	0	367.496	3.418	40	0		FGABRM
Cc1cccc2[nH]c(C[C@H](c3nc4c(cccc4C)[nH]3)S(=O)(=O)[O-])nc21	ZINC000255190341	497361846	/nfs/dbraw/zinc/36/18/46/497361846.db2.gz	WPKJGBQXZJAIJS-CQSZACIVSA-N	-1	0	370.434	3.228	40	0		FGABRM
COc1ccc(/C=C/C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2C)cc1	ZINC000408623960	499593030	/nfs/dbraw/zinc/59/30/30/499593030.db2.gz	SYDVEWJFSTYVFK-DHZHZOJOSA-N	-1	0	370.430	3.228	40	0		FGABRM
Cc1cc2nc([C@H]3CCCCN3C(=O)Cc3ccsc3)cc(=O)n2[n-]1	ZINC000257332768	534134612	/nfs/dbraw/zinc/13/46/12/534134612.db2.gz	XYOHSXNXRKIGHF-OAHLLOKOSA-N	-1	0	356.451	3.101	40	0		FGABRM
CCC[C@H](C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1ccco1	ZINC000217495884	521062005	/nfs/dbraw/zinc/06/20/05/521062005.db2.gz	PDYFNHAAUQFVFQ-LBPRGKRZSA-N	-1	0	366.439	3.057	40	0		FGABRM
CC(=O)N1CCCC[C@H]1c1cc(-c2cc(F)ccc2C(=O)[O-])nc(C)n1	ZINC000257222859	526557239	/nfs/dbraw/zinc/55/72/39/526557239.db2.gz	DUXKNCHXLHYBGW-SFHVURJKSA-N	-1	0	357.385	3.363	40	0		FGABRM
Cc1noc(C)c1N(C)C(=O)C[C@@](C)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000634905229	717129198	/nfs/dbraw/zinc/12/91/98/717129198.db2.gz	JNLLNHUTEDUTJK-QGZVFWFLSA-N	-1	0	350.802	3.340	40	0		FGABRM
CCCCCNS(=O)(=O)c1ccc(N[C@H](C)CCC)c(C(=O)[O-])c1	ZINC000217651223	222673776	/nfs/dbraw/zinc/67/37/76/222673776.db2.gz	QXASHTUBSVMVIF-CYBMUJFWSA-N	-1	0	356.488	3.454	40	0		FGABRM
O=C([O-])c1ccc(NC(=O)c2ccc(I)cc2)cc1	ZINC000003071270	219485794	/nfs/dbraw/zinc/48/57/94/219485794.db2.gz	NOYWRDLIERWILG-UHFFFAOYSA-N	-1	0	367.142	3.242	40	0		FGABRM
CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)[O-])c2ccccc2Cl)CC1	ZINC000004241748	219557602	/nfs/dbraw/zinc/55/76/02/219557602.db2.gz	NTNWMQLTURQXSB-CQSZACIVSA-N	-1	0	354.834	3.018	40	0		FGABRM
CCc1onc(C)c1-c1cccc(C2CCN(C(=O)CCC(=O)[O-])CC2)n1	ZINC000257288188	223051291	/nfs/dbraw/zinc/05/12/91/223051291.db2.gz	PTGMGZNIOVRNAL-UHFFFAOYSA-N	-1	0	371.437	3.178	40	0		FGABRM
Cc1cc(C)c(N[C@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)c1	ZINC000016900920	220195135	/nfs/dbraw/zinc/19/51/35/220195135.db2.gz	KNKOUNJJKWHIET-INIZCTEOSA-N	-1	0	352.390	3.054	40	0		FGABRM
COCc1[n-]n2c(nc(Cn3cccn3)cc2=O)c1-c1ccc(Cl)cc1	ZINC000019594247	220278193	/nfs/dbraw/zinc/27/81/93/220278193.db2.gz	ATIKYQAFADMYAC-UHFFFAOYSA-N	-1	0	369.812	3.147	40	0		FGABRM
COc1ccc(C(=O)[O-])cc1NC(=O)Cc1ccc(Br)cc1	ZINC000020137176	220314199	/nfs/dbraw/zinc/31/41/99/220314199.db2.gz	UVOZMSSQHGQDST-UHFFFAOYSA-N	-1	0	364.195	3.337	40	0		FGABRM
CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000027641177	220541777	/nfs/dbraw/zinc/54/17/77/220541777.db2.gz	PXGPLTODNUVGFL-PGWUFSIFSA-N	-1	0	354.487	3.043	40	0	in-vitro	FGABRM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2OC(C)C)c1	ZINC000055590356	221072269	/nfs/dbraw/zinc/07/22/69/221072269.db2.gz	IUEMHXBEEKDRQQ-UHFFFAOYSA-N	-1	0	351.424	3.292	40	0		FGABRM
C[C@@H](NC(=O)Nc1ccccc1)c1onc(-c2cccnc2)c1C(=O)[O-]	ZINC000096297083	222111808	/nfs/dbraw/zinc/11/18/08/222111808.db2.gz	ZMWCYDQIPLZSFA-LLVKDONJSA-N	-1	0	352.350	3.318	40	0	biogenic,in-vitro	FGABRM
Cc1ccc(C(=O)[O-])cc1N1C(=O)C[C@@H](Nc2cccc(Cl)c2)C1=O	ZINC000101275035	222266323	/nfs/dbraw/zinc/26/63/23/222266323.db2.gz	ZEKHRUCMTSSLQH-CQSZACIVSA-N	-1	0	358.781	3.091	40	0		FGABRM
CCc1c(C)[n-]n2c1nc(CCn1nc(C(F)(F)F)cc1C)cc2=O	ZINC000100223762	222239779	/nfs/dbraw/zinc/23/97/79/222239779.db2.gz	GTHLAEUFIZZFDD-UHFFFAOYSA-N	-1	0	353.348	3.072	40	0		FGABRM
CCc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccccc4Cl)c(=O)c2=3)cc1	ZINC000101418579	222274494	/nfs/dbraw/zinc/27/44/94/222274494.db2.gz	NLNJMUKTCZLHSO-SJORKVTESA-N	-1	0	368.824	3.396	40	0		FGABRM
O=C(Cc1csc(-c2ccccc2)n1)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000101598746	222279706	/nfs/dbraw/zinc/27/97/06/222279706.db2.gz	NELNNVVMHDUUPE-OTVXOJSOSA-N	-1	0	358.463	3.360	40	0		FGABRM
C[C@@H]1c2c(cc([O-])n(Cc3ccccc3)c2=O)C(=O)N1Cc1ccccc1	ZINC000104297885	222354587	/nfs/dbraw/zinc/35/45/87/222354587.db2.gz	PBFPYDPKRDUZNU-OAHLLOKOSA-N	-1	0	360.413	3.319	40	0		FGABRM
COc1ccc(-n2nc(C(=O)[O-])cc2-c2ccc(OC)cc2OC)cc1	ZINC000059472457	263420287	/nfs/dbraw/zinc/42/02/87/263420287.db2.gz	MCWFMKOJYNUTGS-UHFFFAOYSA-N	-1	0	354.362	3.263	40	0		FGABRM
O=C([O-])CCc1ccc(-c2ccc(F)cc2)n1NC(=O)c1ccccc1O	ZINC000408562516	263471228	/nfs/dbraw/zinc/47/12/28/263471228.db2.gz	QMQBSYVXZWITGE-UHFFFAOYSA-N	-1	0	368.364	3.401	40	0		FGABRM
O=C([O-])COc1ccc(/C=C2\SC(Nc3ccccc3F)NC2=O)cc1	ZINC000408800330	263496273	/nfs/dbraw/zinc/49/62/73/263496273.db2.gz	MCWSCNQZZRJPQE-UHFFFAOYSA-N	-1	0	373.385	3.052	40	0		FGABRM
CC(C)C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)[O-]	ZINC000005199773	493919610	/nfs/dbraw/zinc/91/96/10/493919610.db2.gz	VPXLZWQMFDUXIJ-QGZVFWFLSA-N	-1	0	354.406	3.168	40	0		FGABRM
CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000006362043	493961296	/nfs/dbraw/zinc/96/12/96/493961296.db2.gz	YBFYZNZRJJSRGH-LBPRGKRZSA-N	-1	0	350.415	3.155	40	0		FGABRM
COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(C(=O)[O-])cc1	ZINC000006570946	493968073	/nfs/dbraw/zinc/96/80/73/493968073.db2.gz	GJXNMVKWXVJTTD-UHFFFAOYSA-N	-1	0	364.810	3.174	40	0		FGABRM
CCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2)c1	ZINC000006553212	493968272	/nfs/dbraw/zinc/96/82/72/493968272.db2.gz	VITIAFLLCPUQKN-UHFFFAOYSA-N	-1	0	352.843	3.199	40	0		FGABRM
CCOc1ccc(C=C(Sc2n[nH]c(CC)n2)C(=O)[O-])cc1OCC	ZINC000007342501	494016411	/nfs/dbraw/zinc/01/64/11/494016411.db2.gz	PVLPVBRCVPBFHO-UVTDQMKNSA-N	-1	0	363.439	3.382	40	0		FGABRM
C=CCOc1ccc(C=C(Sc2n[nH]c(CC)n2)C(=O)[O-])cc1OC	ZINC000007342439	494016913	/nfs/dbraw/zinc/01/69/13/494016913.db2.gz	XOQOJASVHIVMME-UVTDQMKNSA-N	-1	0	361.423	3.158	40	0		FGABRM
CC(=O)Nc1ccc(-c2nc(SCc3ccc(C(=O)[O-])cc3)n[nH]2)cc1	ZINC000007605222	494029326	/nfs/dbraw/zinc/02/93/26/494029326.db2.gz	QBYOXVSCBZZLHN-UHFFFAOYSA-N	-1	0	368.418	3.421	40	0		FGABRM
Cc1nnc(S/C(=C\c2cc(Br)ccc2O)C(=O)[O-])o1	ZINC000007603493	494029364	/nfs/dbraw/zinc/02/93/64/494029364.db2.gz	VBHWIWVXCNAZFP-YHYXMXQVSA-N	-1	0	357.185	3.064	40	0		FGABRM
COc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)cc1	ZINC000033662447	494062179	/nfs/dbraw/zinc/06/21/79/494062179.db2.gz	ZNMJJPHXIJGCIC-WJDWOHSUSA-N	-1	0	368.414	3.375	40	0		FGABRM
CC(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000033693662	494062298	/nfs/dbraw/zinc/06/22/98/494062298.db2.gz	COBMFCWATBDFGK-UHFFFAOYSA-N	-1	0	352.843	3.279	40	0		FGABRM
CCCCC[C@@H](O)/C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000008585173	494097523	/nfs/dbraw/zinc/09/75/23/494097523.db2.gz	PXGPLTODNUVGFL-OPBVVVAVSA-N	-1	0	354.487	3.043	40	0		FGABRM
CC(C)(C)OC(=O)NC1CN([C@@H](C(=O)[O-])c2ccc3ccccc3c2)C1	ZINC000038138682	494111819	/nfs/dbraw/zinc/11/18/19/494111819.db2.gz	UOFDYHHRVUNCEK-QGZVFWFLSA-N	-1	0	356.422	3.174	40	0		FGABRM
CCc1cc(=O)n2[n-]c([C@@H]3CCCCN3C(=O)c3scnc3C)cc2n1	ZINC000012161337	494210326	/nfs/dbraw/zinc/21/03/26/494210326.db2.gz	QWJXOHZBWJAXHA-AWEZNQCLSA-N	-1	0	371.466	3.130	40	0		FGABRM
O=C([O-])C1(C[C@H]2CC(c3cccc(Br)c3)=NO2)CCOCC1	ZINC000012157467	494210538	/nfs/dbraw/zinc/21/05/38/494210538.db2.gz	WKEDLVBBAZKLPL-CYBMUJFWSA-N	-1	0	368.227	3.214	40	0		FGABRM
COc1ccc(OC)c(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)[O-])c1	ZINC000169295165	496715710	/nfs/dbraw/zinc/71/57/10/496715710.db2.gz	VXFWUBASHMOLJV-QISBLDNZSA-N	-1	0	359.422	3.336	40	0		FGABRM
O=C([O-])/C(=C/c1ccc(N2CCOCC2)o1)Sc1nc2ccccc2o1	ZINC000211506264	496976322	/nfs/dbraw/zinc/97/63/22/496976322.db2.gz	HUSISDJZUMQJQF-PTNGSMBKSA-N	-1	0	372.402	3.475	40	0		FGABRM
O=C([O-])c1ccc(NC2CCCCC2)c(S(=O)(=O)NC2CCCC2)c1	ZINC000217443941	496998033	/nfs/dbraw/zinc/99/80/33/496998033.db2.gz	PTKWPEOYKHGLNW-UHFFFAOYSA-N	-1	0	366.483	3.350	40	0		FGABRM
CCCCCNc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)[O-]	ZINC000217628671	496999015	/nfs/dbraw/zinc/99/90/15/496999015.db2.gz	VPYCDWAUMSNDDM-UHFFFAOYSA-N	-1	0	366.439	3.058	40	0		FGABRM
CCCCCNc1ccc(S(=O)(=O)N[C@H](C)CCC)cc1C(=O)[O-]	ZINC000217661200	496999264	/nfs/dbraw/zinc/99/92/64/496999264.db2.gz	VQVRZHNBVIDBLH-CYBMUJFWSA-N	-1	0	356.488	3.454	40	0		FGABRM
Cc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(F)cc2)cc1Cl	ZINC000224913987	497053889	/nfs/dbraw/zinc/05/38/89/497053889.db2.gz	OPSPDWVLPLQSMG-UHFFFAOYSA-N	-1	0	357.790	3.067	40	0		FGABRM
CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)ccc1C	ZINC000408608753	499593004	/nfs/dbraw/zinc/59/30/04/499593004.db2.gz	SDQKXKNRUBRDAW-UHFFFAOYSA-N	-1	0	372.368	3.174	40	0		FGABRM
O=C([O-])[C@@H]1CN[C@H](c2ccc(-c3ccc(Br)cc3)o2)S1	ZINC000408978216	499595559	/nfs/dbraw/zinc/59/55/59/499595559.db2.gz	LINCPJSYKSWJSV-STQMWFEESA-N	-1	0	354.225	3.497	40	0		FGABRM
COc1ccc(CNC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1C(=O)[O-]	ZINC000532252285	504586982	/nfs/dbraw/zinc/58/69/82/504586982.db2.gz	HKJJJQXKYLGLCK-RYUDHWBXSA-N	-1	0	359.344	3.378	40	0		FGABRM
CC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1NCc1ccccc1	ZINC000217428908	524004991	/nfs/dbraw/zinc/00/49/91/524004991.db2.gz	LRVSZQSEFAFICH-ZDUSSCGKSA-N	-1	0	362.451	3.074	40	0		FGABRM
O=C([O-])c1c(OC2CC2)cnc2ccc(I)cc21	ZINC000685937017	568318150	/nfs/dbraw/zinc/31/81/50/568318150.db2.gz	HEQXYLVPDJGGDJ-UHFFFAOYSA-N	-1	0	355.131	3.079	40	0		FGABRM
CC(C)c1ccc(OCC(=O)NC(=S)Nc2ccccc2C(=O)[O-])cc1	ZINC000005848755	570777883	/nfs/dbraw/zinc/77/78/83/570777883.db2.gz	LKXDCSJJHDYSGD-UHFFFAOYSA-N	-1	0	372.446	3.400	40	0		FGABRM
O=C([O-])c1ccc(CN(Cc2ccccc2)C(=O)[C@H]2C[C@H]3CC[C@@H]2O3)cc1	ZINC000585091832	571219570	/nfs/dbraw/zinc/21/95/70/571219570.db2.gz	WRXQOOOJBHUKMD-AABGKKOBSA-N	-1	0	365.429	3.481	40	0		FGABRM
COc1c(F)cccc1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000228948548	571278320	/nfs/dbraw/zinc/27/83/20/571278320.db2.gz	LMUTVHVHCHHWDA-UHFFFAOYSA-N	-1	0	360.204	3.398	40	0		FGABRM
CCc1cccc(CC)c1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000223371814	222776752	/nfs/dbraw/zinc/77/67/52/222776752.db2.gz	DJUDTBIFTWVUNC-UHFFFAOYSA-N	-1	0	351.399	3.450	40	0		FGABRM
COc1ccc([C@@H](C)c2cc3c(cc2OCC(=O)[O-])OCO3)cc1OC	ZINC000001582476	219411879	/nfs/dbraw/zinc/41/18/79/219411879.db2.gz	CSGIZLOVZYLTQP-LLVKDONJSA-N	-1	0	360.362	3.048	40	0		FGABRM
CC(=O)OC1=C(c2ccccc2)[C@@H](c2ccccc2)C[C@H]1OS(=O)(=O)[O-]	ZINC000001718652	219417169	/nfs/dbraw/zinc/41/71/69/219417169.db2.gz	KNVCUBUQYJGRIN-IAGOWNOFSA-N	-1	0	374.414	3.336	40	0		FGABRM
Cc1cc(C)nc([N-]c2nccnc2[C@@H]2CCCN2Cc2cncs2)n1	ZINC000257245679	223036520	/nfs/dbraw/zinc/03/65/20/223036520.db2.gz	IQPABYVMEONPRR-HNNXBMFYSA-N	-1	0	367.482	3.421	40	0		FGABRM
CCc1nnc([N-]c2cc([C@@H]3CCCN3Cc3c[nH]cn3)nc(C)n2)s1	ZINC000257312713	223061739	/nfs/dbraw/zinc/06/17/39/223061739.db2.gz	UPFVHYCRFSBKIT-AWEZNQCLSA-N	-1	0	370.486	3.003	40	0		FGABRM
CCCCCC(=O)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@@H](O)C[C@@H]1O	ZINC000013339095	220064387	/nfs/dbraw/zinc/06/43/87/220064387.db2.gz	VKTIONYPMSCHQI-KGILNJEGSA-N	-1	0	354.487	3.475	40	0	in-vitro	FGABRM
CC/C=C/C[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000013521627	220070886	/nfs/dbraw/zinc/07/08/86/220070886.db2.gz	ANOICLBSJIMQTA-SAGRKKSESA-N	-1	0	350.455	3.027	40	0	in-vitro	FGABRM
CCCCC[C@H](O)/C=C/C=C/C=C/C=C/[C@@H](O)[C@@H](O)CCCC(=O)[O-]	ZINC000014781399	220133331	/nfs/dbraw/zinc/13/33/31/220133331.db2.gz	IXAQOQZEOGMIQS-QDILEBLQSA-N	-1	0	352.471	3.129	40	0		FGABRM
CCc1ccc(N2C(=O)C[C@H](Sc3ccccc3C(=O)[O-])C2=O)cc1	ZINC000016899759	220195586	/nfs/dbraw/zinc/19/55/86/220195586.db2.gz	YXTGSVSIOBQLNC-INIZCTEOSA-N	-1	0	355.415	3.371	40	0		FGABRM
O=C([O-])c1cc(NC(=O)Cc2ccc(Br)cc2)ccc1O	ZINC000020081009	220312716	/nfs/dbraw/zinc/31/27/16/220312716.db2.gz	FLGYWBISRVJIGD-UHFFFAOYSA-N	-1	0	350.168	3.034	40	0		FGABRM
O=C([O-])[C@@H]1CS[C@H](c2cn(-c3ccccc3)nc2-c2cccs2)N1	ZINC000071195257	221335759	/nfs/dbraw/zinc/33/57/59/221335759.db2.gz	UKHOHSZEGIFSEH-XJKSGUPXSA-N	-1	0	357.460	3.389	40	0		FGABRM
O=c1c2ccccc2nc2n1-c1c([O-])cccc1C(=O)Nc1ccccc1-2	ZINC000100268287	222240795	/nfs/dbraw/zinc/24/07/95/222240795.db2.gz	NUBAAWQBTGSVGH-UHFFFAOYSA-N	-1	0	355.353	3.324	40	0	biogenic,in-vitro	FGABRM
COc1ccc(-c2n[n-]c3nc4sc5c(c4c(=O)n32)CCCC5)cc1	ZINC000100748837	222252192	/nfs/dbraw/zinc/25/21/92/222252192.db2.gz	OGQXLOYONIENPH-UHFFFAOYSA-N	-1	0	352.419	3.187	40	0		FGABRM
CC(C)N1C(=O)S/C(=C\c2ccc(OCC(=O)[O-])c(Cl)c2)C1=O	ZINC000409061390	263521419	/nfs/dbraw/zinc/52/14/19/263521419.db2.gz	WWINVXJPPKWBRP-SDQBBNPISA-N	-1	0	355.799	3.248	40	0		FGABRM
CCC(CC)C(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](Cc2nc3ccccc3[nH]2)C1	ZINC000514290039	263776384	/nfs/dbraw/zinc/77/63/84/263776384.db2.gz	RVIBRRLLRXBQMT-HOTGVXAUSA-N	-1	0	371.481	3.481	40	0	biogenic,in-vitro	FGABRM
O=C([O-])/C=C/C(=O)Nc1cc2c(cc1Br)-c1ccccc1C2=O	ZINC000001614572	493796500	/nfs/dbraw/zinc/79/65/00/493796500.db2.gz	BONAKDYECWWRFC-AATRIKPKSA-N	-1	0	372.174	3.240	40	0		FGABRM
CC(C)(C)OC(=O)N1CCN([C@H](C(=O)[O-])c2ccccc2Cl)CC1	ZINC000004241747	493869297	/nfs/dbraw/zinc/86/92/97/493869297.db2.gz	NTNWMQLTURQXSB-AWEZNQCLSA-N	-1	0	354.834	3.018	40	0		FGABRM
Cc1n[nH]c(SC(=Cc2cc(C)n(-c3cccnc3)c2C)C(=O)[O-])n1	ZINC000006329922	493959367	/nfs/dbraw/zinc/95/93/67/493959367.db2.gz	TWJRKWGUDQPDCL-NVNXTCNLSA-N	-1	0	355.423	3.133	40	0		FGABRM
C#CCOc1ccc2ccccc2c1C=C(Sc1nnc(C)[nH]1)C(=O)[O-]	ZINC000006588213	493969141	/nfs/dbraw/zinc/96/91/41/493969141.db2.gz	FQJJPWLQUPJADP-BOPFTXTBSA-N	-1	0	365.414	3.496	40	0		FGABRM
Cc1cccc(NC(=O)COc2ccc(Br)cc2C(=O)[O-])c1	ZINC000007604135	494029654	/nfs/dbraw/zinc/02/96/54/494029654.db2.gz	BUXVIAHSGDXIEH-UHFFFAOYSA-N	-1	0	364.195	3.473	40	0		FGABRM
Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2cccc(C(=O)[O-])c2)CC1=O	ZINC000007928116	494053403	/nfs/dbraw/zinc/05/34/03/494053403.db2.gz	VYTCVJRQQHHLEV-ZDUSSCGKSA-N	-1	0	372.808	3.338	40	0		FGABRM
C[C@@H](Sc1nnc2n(Cc3ccccc3)c3ccccc3n12)C(=O)[O-]	ZINC000033373743	494059860	/nfs/dbraw/zinc/05/98/60/494059860.db2.gz	FJPKDBMNYQZHAD-GFCCVEGCSA-N	-1	0	352.419	3.298	40	0		FGABRM
COc1cccc(NC(=O)c2ccccc2NC(=O)CCCC(=O)[O-])c1	ZINC000008434586	494090425	/nfs/dbraw/zinc/09/04/25/494090425.db2.gz	FDOSYOBIYRDCBY-UHFFFAOYSA-N	-1	0	356.378	3.141	40	0		FGABRM
O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1cccc(C(F)(F)F)c1	ZINC000008477284	494092312	/nfs/dbraw/zinc/09/23/12/494092312.db2.gz	OYXATCDTCPZKOG-UKTHLTGXSA-N	-1	0	352.312	3.110	40	0		FGABRM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1	ZINC000038756759	494117549	/nfs/dbraw/zinc/11/75/49/494117549.db2.gz	YZMBQXSRSDKYEF-UHFFFAOYSA-N	-1	0	374.462	3.321	40	0		FGABRM
CC(C)(C)OC(=O)N1C[C@H](Oc2ccc(Cl)cc2F)C[C@H]1C(=O)[O-]	ZINC000039954216	494123744	/nfs/dbraw/zinc/12/37/44/494123744.db2.gz	VMECCTUGTIFMGB-PWSUYJOCSA-N	-1	0	359.781	3.321	40	0		FGABRM
Cc1ccccc1-c1cc(CC2(C(=O)[O-])CCN(C(=O)C3CC3)CC2)on1	ZINC000012366489	494227994	/nfs/dbraw/zinc/22/79/94/494227994.db2.gz	GQVMIWKIBKOXBG-UHFFFAOYSA-N	-1	0	368.433	3.296	40	0		FGABRM
COc1cccc2c(C[C@H](NC(=O)OCc3ccccc3)C(=O)[O-])c[nH]c21	ZINC000044909848	494388528	/nfs/dbraw/zinc/38/85/28/494388528.db2.gz	TUYJRNGOJLMIAD-INIZCTEOSA-N	-1	0	368.389	3.099	40	0		FGABRM
Cc1cccc(C)c1N(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1	ZINC000113881694	495332811	/nfs/dbraw/zinc/33/28/11/495332811.db2.gz	UEVNVYZRKZHHCR-UHFFFAOYSA-N	-1	0	353.827	3.237	40	0		FGABRM
CC(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1NCc1ccccc1	ZINC000217433890	496998133	/nfs/dbraw/zinc/99/81/33/496998133.db2.gz	OFYQEHLIYFWXCV-UHFFFAOYSA-N	-1	0	362.451	3.074	40	0		FGABRM
CCCCCNS(=O)(=O)c1ccc(N[C@@H](C)CCC)c(C(=O)[O-])c1	ZINC000217651144	496999270	/nfs/dbraw/zinc/99/92/70/496999270.db2.gz	QXASHTUBSVMVIF-ZDUSSCGKSA-N	-1	0	356.488	3.454	40	0		FGABRM
CC[C@@H](C)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)[O-]	ZINC000217603835	496999463	/nfs/dbraw/zinc/99/94/63/496999463.db2.gz	FDYPRNVBTXAJRE-CYBMUJFWSA-N	-1	0	362.451	3.074	40	0		FGABRM
COc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCCC3)cc1Cl	ZINC000223241535	497034000	/nfs/dbraw/zinc/03/40/00/497034000.db2.gz	LCIZMSQYYKGBGF-UHFFFAOYSA-N	-1	0	358.872	3.485	40	0		FGABRM
Cc1ccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1C	ZINC000223324568	497035633	/nfs/dbraw/zinc/03/56/33/497035633.db2.gz	MCDMIBQDWGSOSJ-UHFFFAOYSA-N	-1	0	352.799	3.192	40	0		FGABRM
CCc1cc(S(=O)(=O)[N-]c2cc(OC)ccc2OC)ccc1OC	ZINC000223679023	497041318	/nfs/dbraw/zinc/04/13/18/497041318.db2.gz	NIVWUFPNIAYQKR-UHFFFAOYSA-N	-1	0	351.424	3.076	40	0		FGABRM
Cc1ccc(Cl)cc1N(CC(=O)[O-])S(=O)(=O)c1ccc(F)cc1	ZINC000224913421	497054375	/nfs/dbraw/zinc/05/43/75/497054375.db2.gz	AJBUICQJYBMSJM-UHFFFAOYSA-N	-1	0	357.790	3.067	40	0		FGABRM
CC(C)(C)C(=O)c1cc(C(=O)[O-])c(=O)n(-c2ccc(C(F)(F)F)cc2)n1	ZINC000225968421	497079618	/nfs/dbraw/zinc/07/96/18/497079618.db2.gz	ZHSLOGCMMWLXEK-UHFFFAOYSA-N	-1	0	368.311	3.178	40	0		FGABRM
Cc1ccc(S(=O)(=O)[C@@H]2[C@H](C(=O)[O-])[C@H]2c2cccc(Cl)c2)cc1	ZINC000242701732	497355849	/nfs/dbraw/zinc/35/58/49/497355849.db2.gz	WNJINEPEOLFLIC-OAGGEKHMSA-N	-1	0	350.823	3.289	40	0		FGABRM
CC(C)CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NC1CCCCC1	ZINC000217518711	519663099	/nfs/dbraw/zinc/66/30/99/519663099.db2.gz	UCALLJUISXJZKG-UHFFFAOYSA-N	-1	0	368.499	3.454	40	0		FGABRM
CC(C)Nc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C(=O)[O-]	ZINC000217584681	519741733	/nfs/dbraw/zinc/74/17/33/519741733.db2.gz	LUVGLGCFNHVJBQ-UHFFFAOYSA-N	-1	0	366.483	3.374	40	0		FGABRM
CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1NC1CCCC1	ZINC000217523283	520667325	/nfs/dbraw/zinc/66/73/25/520667325.db2.gz	XOFNNZRWRSXWLW-GFCCVEGCSA-N	-1	0	354.472	3.206	40	0		FGABRM
CCC[C@@H](C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1ccco1	ZINC000217495808	520669561	/nfs/dbraw/zinc/66/95/61/520669561.db2.gz	PDYFNHAAUQFVFQ-GFCCVEGCSA-N	-1	0	366.439	3.057	40	0		FGABRM
CCCCC[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@@H]2OC[C@H](CCCCC(=O)[O-])[C@@H]21	ZINC000263615188	528272330	/nfs/dbraw/zinc/27/23/30/528272330.db2.gz	BBIWXADUFWNKMQ-HBZIBBJOSA-N	-1	0	354.487	3.141	40	0		FGABRM
CC(C)CC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](Cc2nc3ccccc3n2C)C1	ZINC000514289550	560032453	/nfs/dbraw/zinc/03/24/53/560032453.db2.gz	OAQQPTJYTFIWAX-HOTGVXAUSA-N	-1	0	371.481	3.101	40	0	biogenic,in-vitro	FGABRM
COc1cc(C(=O)[O-])cc(OC)c1OCC(=O)Nc1cccc(Cl)c1	ZINC000217732190	222673659	/nfs/dbraw/zinc/67/36/59/222673659.db2.gz	TUMTXCLIYWUOLA-UHFFFAOYSA-N	-1	0	365.769	3.073	40	0		FGABRM
COc1cc2c(cc1S(=O)(=O)[N-]c1ccc3c(c1)OCO3)CCCC2	ZINC000223573876	222785089	/nfs/dbraw/zinc/78/50/89/222785089.db2.gz	WOQWIKSJXHHEPC-UHFFFAOYSA-N	-1	0	361.419	3.104	40	0		FGABRM
C[C@@]12CC[C@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@@H]3[C@@H]1CCC2=O	ZINC000003830787	219526635	/nfs/dbraw/zinc/52/66/35/219526635.db2.gz	JKKFKPJIXZFSSB-NBOOPKSLSA-N	-1	0	350.436	3.293	40	0	in-vitro	FGABRM
CCn1c(C)nc2cc(C(=O)N(CC(=O)[O-])Cc3ccc(F)cc3)ccc21	ZINC000257313189	223061535	/nfs/dbraw/zinc/06/15/35/223061535.db2.gz	URIHEUHDUSDLCH-UHFFFAOYSA-N	-1	0	369.396	3.231	40	0		FGABRM
Cc1nccc([C@@H]2CCCN2Cc2cnn(-c3ccccc3C(=O)[O-])c2)n1	ZINC000257324614	223065144	/nfs/dbraw/zinc/06/51/44/223065144.db2.gz	WPLVIUYTYVECTL-IBGZPJMESA-N	-1	0	363.421	3.006	40	0		FGABRM
CC/C=C\C[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C\CCCC(=O)[O-])C[C@H]12	ZINC000013521648	220070859	/nfs/dbraw/zinc/07/08/59/220070859.db2.gz	NCYSTSFUYSFMEO-OBLTVXDOSA-N	-1	0	350.455	3.185	40	0	in-vitro	FGABRM
COCc1[n-]n2c(nc(-c3ccccn3)cc2=O)c1-c1ccc(OC)cc1	ZINC000019594256	220278032	/nfs/dbraw/zinc/27/80/32/220278032.db2.gz	OMJJIAVTZXAIOT-UHFFFAOYSA-N	-1	0	362.389	3.319	40	0		FGABRM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)NCC(C)C	ZINC000020956933	220346526	/nfs/dbraw/zinc/34/65/26/220346526.db2.gz	JLLDUMVDVKMXHF-UHFFFAOYSA-N	-1	0	364.442	3.321	40	0		FGABRM
COc1ccc(-c2ncc(C(=O)[O-])c(NCc3ccccc3)n2)cc1OC	ZINC000049469838	221023031	/nfs/dbraw/zinc/02/30/31/221023031.db2.gz	LFGDFWFQBPDQFV-UHFFFAOYSA-N	-1	0	365.389	3.471	40	0		FGABRM
O=C([O-])c1ccc(CN2CCC[C@H]2c2nc(-c3ccc(F)cn3)no2)cc1	ZINC000049590614	221026176	/nfs/dbraw/zinc/02/61/76/221026176.db2.gz	LJDVPQJNLBAKGB-INIZCTEOSA-N	-1	0	368.368	3.306	40	0	biogenic,in-vitro	FGABRM
COc1ccc(-c2cc(=O)n3nc(-c4ccccc4Cl)[n-]c3n2)cc1	ZINC000100071869	222234267	/nfs/dbraw/zinc/23/42/67/222234267.db2.gz	QFCSWMFISLXGBS-UHFFFAOYSA-N	-1	0	352.781	3.414	40	0		FGABRM
O=c1c([C@@H](O)c2ccc(F)cc2)c(C(F)(F)F)[n-]n1-c1ccccc1	ZINC000101460210	222275536	/nfs/dbraw/zinc/27/55/36/222275536.db2.gz	LJBVEUYYLADQPN-KBPBESRZSA-N	-1	0	352.287	3.440	40	0		FGABRM
O=C([O-])Cc1c[nH]c(=S)n(-c2ccc(OCc3ccccc3)cc2)c1=O	ZINC000020156348	263379051	/nfs/dbraw/zinc/37/90/51/263379051.db2.gz	RNILBASXWJZPCV-UHFFFAOYSA-N	-1	0	368.414	3.101	40	0		FGABRM
COC(=O)c1c([N-]S(=O)(=O)c2ccc(Cl)cc2)sc2c1CCC2	ZINC000059498333	493907664	/nfs/dbraw/zinc/90/76/64/493907664.db2.gz	HLRJQFGGWWPMJG-UHFFFAOYSA-N	-1	0	371.867	3.478	40	0		FGABRM
CCCOc1cccc(C(=O)NC(=S)Nc2ccccc2C(=O)[O-])c1	ZINC000005864936	493944627	/nfs/dbraw/zinc/94/46/27/493944627.db2.gz	AZSQLLGBENZZKG-UHFFFAOYSA-N	-1	0	358.419	3.300	40	0		FGABRM
O=C([O-])/C=C\C(=O)Nc1cc2c(cc1Br)-c1ccccc1[C@H]2O	ZINC000031647685	493953316	/nfs/dbraw/zinc/95/33/16/493953316.db2.gz	BFRKFETWKLONCI-KEGWNNHHSA-N	-1	0	374.190	3.091	40	0		FGABRM
COc1cc(COc2ccc(/C=C/C(=O)NCCC(=O)[O-])cc2)ccc1C	ZINC000062715723	494021766	/nfs/dbraw/zinc/02/17/66/494021766.db2.gz	SUTBZAUFANCYFC-JXMROGBWSA-N	-1	0	369.417	3.187	40	0		FGABRM
CC(C)CCNS(=O)(=O)c1ccc(NC2CCCCC2)c(C(=O)[O-])c1	ZINC000217652631	496999124	/nfs/dbraw/zinc/99/91/24/496999124.db2.gz	FSZZHLRHECPKJO-UHFFFAOYSA-N	-1	0	368.499	3.454	40	0		FGABRM
O=C([O-])[C@H]1[C@@H](C(=O)Nc2ccc(Nc3ccccc3)cc2)[C@H]2C=C[C@@H]1O2	ZINC000225692766	497071793	/nfs/dbraw/zinc/07/17/93/497071793.db2.gz	RGHBSLHUQUWPDI-VSZNYVQBSA-N	-1	0	350.374	3.023	40	0		FGABRM
CCn1nc(C)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1F	ZINC000252507331	497308659	/nfs/dbraw/zinc/30/86/59/497308659.db2.gz	WHOBAEVLWJSZCB-UHFFFAOYSA-N	-1	0	351.325	3.170	40	0		FGABRM
O=C(C1CCCCC1)N1CCC(c2cncc(Nc3ncccn3)n2)CC1	ZINC000257219453	497391494	/nfs/dbraw/zinc/39/14/94/497391494.db2.gz	DGVKXWMRXJDJDH-UHFFFAOYSA-N	-1	0	366.469	3.297	40	0		FGABRM
CCC[C@H](C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)NC1CCCC1	ZINC000217446279	521061867	/nfs/dbraw/zinc/06/18/67/521061867.db2.gz	RKYLVFNRVICGHM-LBPRGKRZSA-N	-1	0	354.472	3.206	40	0		FGABRM
CNc1nc(Nc2cc(Cl)c([O-])c(Cl)c2)cc(-c2ccccn2)n1	ZINC000329024893	524036648	/nfs/dbraw/zinc/03/66/48/524036648.db2.gz	PCYUPFPJBJOYGK-UHFFFAOYSA-N	-1	0	362.220	3.180	40	0		FGABRM
CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(C(=O)CCCC(=O)[O-])[C@H]3C[C@H]21	ZINC000257240831	527817808	/nfs/dbraw/zinc/81/78/08/527817808.db2.gz	HVIVCWPWQVMJSB-MJEZEWASSA-N	-1	0	373.449	3.160	40	0		FGABRM
COc1ccc(S(=O)(=O)[N-]c2nnc(SC(C)C)s2)cc1C	ZINC000222723750	568557035	/nfs/dbraw/zinc/55/70/35/568557035.db2.gz	UFLQUFPMLDKKQX-UHFFFAOYSA-N	-1	0	359.498	3.156	40	0		FGABRM
O=C1[N-]C(=O)/C(=C\c2cc(Br)c(Sc3ccccc3)o2)N1	ZINC000409048713	570716343	/nfs/dbraw/zinc/71/63/43/570716343.db2.gz	UULWQQJDKGAZMK-YRNVUSSQSA-N	-1	0	365.208	3.374	40	0		FGABRM
O=C([O-])c1c(OCC2CC2)cnc2ccc(I)cc21	ZINC000685937610	571319034	/nfs/dbraw/zinc/31/90/34/571319034.db2.gz	UALLDLBYQIOYOG-UHFFFAOYSA-N	-1	0	369.158	3.326	40	0		FGABRM
COc1ccc(-c2nnc([N-]S(=O)(=O)c3ccc(F)cc3)s2)cc1	ZINC000001356160	219398056	/nfs/dbraw/zinc/39/80/56/219398056.db2.gz	UPCNDCUFJDDRRL-UHFFFAOYSA-N	-1	0	365.411	3.154	40	0		FGABRM
CCCCC[C@H](O)/C=C\[C@H]1[C@H](O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000013540341	220071915	/nfs/dbraw/zinc/07/19/15/220071915.db2.gz	PXGPLTODNUVGFL-UPHCMQKFSA-N	-1	0	354.487	3.043	40	0		FGABRM
Cc1nc(=O)c2nsc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2[n-]1	ZINC000013564104	220074382	/nfs/dbraw/zinc/07/43/82/220074382.db2.gz	OZVVICNIOFTLPX-UHFFFAOYSA-N	-1	0	370.312	3.251	40	0		FGABRM
CSc1n[nH]c([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1	ZINC000022116041	220377140	/nfs/dbraw/zinc/37/71/40/220377140.db2.gz	LKOBQIWHLVHNFN-UHFFFAOYSA-N	-1	0	362.436	3.120	40	0		FGABRM
O=C([O-])[C@@H]1COC2(CCCCC2)N1C(=O)c1ccccc1Br	ZINC000071979763	221392917	/nfs/dbraw/zinc/39/29/17/221392917.db2.gz	CRIAXIWBCILGOP-ZDUSSCGKSA-N	-1	0	368.227	3.035	40	0		FGABRM
O=C([O-])[C@@H]1COC2(CCCCC2)N1C(=O)c1cccc(Br)c1	ZINC000071979745	221392981	/nfs/dbraw/zinc/39/29/81/221392981.db2.gz	AAZUVYWGJAIVAZ-ZDUSSCGKSA-N	-1	0	368.227	3.035	40	0		FGABRM
CC1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)Cc1ccc(Cl)cc1	ZINC000071979941	221393352	/nfs/dbraw/zinc/39/33/52/221393352.db2.gz	PCCJQFDNHZMZIC-HBSPSFQMSA-N	-1	0	351.830	3.101	40	0		FGABRM
O=C([O-])CCCCCC[C@@H]1C(=O)NC(=O)[C@@H]1CC[C@H](O)C1CCCCC1	ZINC000100013231	222231592	/nfs/dbraw/zinc/23/15/92/222231592.db2.gz	QDVVSQBTMYMOHR-BBWFWOEESA-N	-1	0	367.486	3.022	40	0	in-vitro	FGABRM
O=c1cc(C(F)(F)F)nc2[n-]c(SCc3cccc(Cl)c3)nn21	ZINC000100069476	222235021	/nfs/dbraw/zinc/23/50/21/222235021.db2.gz	IEGXBLQXEOIXBX-UHFFFAOYSA-N	-1	0	360.748	3.382	40	0		FGABRM
CC(C)C[C@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2ON1c1ccccc1	ZINC000101036458	222260361	/nfs/dbraw/zinc/26/03/61/222260361.db2.gz	QJJLUJITDYPBBY-FHWLQOOXSA-N	-1	0	350.418	3.411	40	0		FGABRM
O=C(C=C([O-])c1ccc(Cl)s1)C(=O)NC1C2CC3CC(C2)CC1C3	ZINC000104273547	222354007	/nfs/dbraw/zinc/35/40/07/222354007.db2.gz	JNVZBDLFEDHIKX-UHFFFAOYSA-N	-1	0	365.882	3.484	40	0		FGABRM
O=C([O-])c1c[nH]c(=S)n(-c2ccc(OCc3ccccc3)cc2)c1=O	ZINC000020156307	263378914	/nfs/dbraw/zinc/37/89/14/263378914.db2.gz	NMTKVOUGSSJWNM-UHFFFAOYSA-N	-1	0	354.387	3.172	40	0		FGABRM
C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1	ZINC000020454135	263379943	/nfs/dbraw/zinc/37/99/43/263379943.db2.gz	MYYDLWQDMHJDKG-LLVKDONJSA-N	-1	0	364.854	3.303	40	0		FGABRM
CCOC(=O)Cc1c(C)c2cc(C(=O)c3ccccc3)c([O-])cc2oc1=O	ZINC000001705124	493797823	/nfs/dbraw/zinc/79/78/23/493797823.db2.gz	OEPMMCBMWRVWJL-UHFFFAOYSA-N	-1	0	366.369	3.144	40	0		FGABRM
COc1cccc([C@H](CC(=O)[O-])NC(=O)OCc2ccccc2)c1OC	ZINC000002511969	493811233	/nfs/dbraw/zinc/81/12/33/493811233.db2.gz	DEIRTDUTJYZIRL-HNNXBMFYSA-N	-1	0	359.378	3.146	40	0		FGABRM
CCc1cccc(C)c1NC(=O)CC1=S([O-])c2ccccc2NC1=O	ZINC000005811854	493943832	/nfs/dbraw/zinc/94/38/32/493943832.db2.gz	XVSVWVOBVSNXAB-PUAOIOHZSA-N	-1	0	356.447	3.015	40	0		FGABRM
CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1	ZINC000006168456	493954518	/nfs/dbraw/zinc/95/45/18/493954518.db2.gz	VQTUPODTMYXTJH-HNEYUBDGSA-N	-1	0	368.389	3.119	40	0		FGABRM
CCc1nnc(C2=C([O-])C(=Cc3ccc(OCC#N)cc3)SC2=N)s1	ZINC000006420151	493963430	/nfs/dbraw/zinc/96/34/30/493963430.db2.gz	LQQDGPYTTZNIJU-UZHIDJAUSA-N	-1	0	370.459	3.421	40	0		FGABRM
CC(=O)Oc1ccccc1C=C1C(=O)[N-]C(=O)N(c2ccccc2F)C1=O	ZINC000034720782	494067566	/nfs/dbraw/zinc/06/75/66/494067566.db2.gz	RHLAYTQUXCEOEN-RAXLEYEMSA-N	-1	0	368.320	3.258	40	0		FGABRM
COc1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)/C=C\C(=O)[O-])cc1	ZINC000008434623	494090263	/nfs/dbraw/zinc/09/02/63/494090263.db2.gz	MNLSJOHJBGVLOY-HJWRWDBZSA-N	-1	0	374.780	3.180	40	0		FGABRM
CCCCC[C@H](O)/C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000008602616	494098621	/nfs/dbraw/zinc/09/86/21/494098621.db2.gz	PXGPLTODNUVGFL-GCWHEDOASA-N	-1	0	354.487	3.043	40	0		FGABRM
COc1ccc(-c2nnc([N-]S(=O)(=O)c3ccc(C)cc3)s2)cc1	ZINC000009062357	494113183	/nfs/dbraw/zinc/11/31/83/494113183.db2.gz	ITBXIASKRNMCOC-UHFFFAOYSA-N	-1	0	361.448	3.323	40	0		FGABRM
O=C([O-])CCN1N=C(c2ccccc2)Cn2c3ccsc3cc2C1=O	ZINC000012144777	494208255	/nfs/dbraw/zinc/20/82/55/494208255.db2.gz	NPRIFWNZCRRIAB-UHFFFAOYSA-N	-1	0	353.403	3.038	40	0		FGABRM
O=C([O-])CCc1nc2scc(-c3ccc(Br)cc3)n2n1	ZINC000095095797	494960487	/nfs/dbraw/zinc/96/04/87/494960487.db2.gz	OGLXYLDUGZPFDD-UHFFFAOYSA-N	-1	0	352.213	3.238	40	0		FGABRM
O=C([O-])c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1Br	ZINC000107604835	495529503	/nfs/dbraw/zinc/52/95/03/495529503.db2.gz	AQHRMKATPMPRMJ-UHFFFAOYSA-N	-1	0	365.139	3.308	40	0		FGABRM
CCCCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)CCC	ZINC000217527382	496997861	/nfs/dbraw/zinc/99/78/61/496997861.db2.gz	XFASBCHSVMXBLS-ZDUSSCGKSA-N	-1	0	356.488	3.454	40	0		FGABRM
CCCCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)CCC	ZINC000217527465	496998268	/nfs/dbraw/zinc/99/82/68/496998268.db2.gz	XFASBCHSVMXBLS-CYBMUJFWSA-N	-1	0	356.488	3.454	40	0		FGABRM
C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1N1CCCC1)c1ccccc1	ZINC000217479281	496998760	/nfs/dbraw/zinc/99/87/60/496998760.db2.gz	AVZVJJCDJPWFBN-AWEZNQCLSA-N	-1	0	374.462	3.025	40	0		FGABRM
CCC[C@H](C)Nc1ccc(S(=O)(=O)NCCC(C)C)cc1C(=O)[O-]	ZINC000217655134	496999391	/nfs/dbraw/zinc/99/93/91/496999391.db2.gz	VFDNEPXZYHYBRQ-ZDUSSCGKSA-N	-1	0	356.488	3.310	40	0		FGABRM
COc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C(C)=O)cc1OC	ZINC000223250148	497034722	/nfs/dbraw/zinc/03/47/22/497034722.db2.gz	QNSVZURRKWJERC-UHFFFAOYSA-N	-1	0	369.826	3.361	40	0		FGABRM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)c1	ZINC000223343019	497036715	/nfs/dbraw/zinc/03/67/15/497036715.db2.gz	IQUUTAHBAWUGKX-UHFFFAOYSA-N	-1	0	366.826	3.203	40	0		FGABRM
Cc1nc([N-]S(C)(=O)=O)sc1C(=O)Nc1ccc(C)c(Cl)c1	ZINC000225877843	497078877	/nfs/dbraw/zinc/07/88/77/497078877.db2.gz	ISDIRTKXRQRTBJ-UHFFFAOYSA-N	-1	0	359.860	3.037	40	0		FGABRM
O=C([O-])c1nn(-c2cccc(Cl)c2)nc1N1CCc2ccccc2C1	ZINC000256049271	497382739	/nfs/dbraw/zinc/38/27/39/497382739.db2.gz	ZDQBCUVIBRFDFM-UHFFFAOYSA-N	-1	0	354.797	3.182	40	0		FGABRM
O=C([O-])c1nn(-c2ccc(Cl)cc2)nc1N1CCc2ccccc2C1	ZINC000256046766	497382949	/nfs/dbraw/zinc/38/29/49/497382949.db2.gz	HYGSPIVFHRFSFC-UHFFFAOYSA-N	-1	0	354.797	3.182	40	0		FGABRM
CCOc1cc(/C=C/C(=O)Nc2ccc(O)c(C(=O)[O-])c2)ccc1OC	ZINC000408606655	499592881	/nfs/dbraw/zinc/59/28/81/499592881.db2.gz	LHLHVFSATGPMGX-WEVVVXLNSA-N	-1	0	357.362	3.150	40	0		FGABRM
Cc1ccc([C@H](CCC(=O)[O-])N2CCN(C(=O)c3cccs3)CC2)cc1	ZINC000408610644	499593009	/nfs/dbraw/zinc/59/30/09/499593009.db2.gz	QXSPDRBEJGWZJI-KRWDZBQOSA-N	-1	0	372.490	3.420	40	0		FGABRM
Cc1cc2nc([C@@H]3CCCCN3C(=O)Cc3cccs3)cc(=O)n2[n-]1	ZINC000257268790	534134321	/nfs/dbraw/zinc/13/43/21/534134321.db2.gz	MNFLTJIQJJTCAL-HNNXBMFYSA-N	-1	0	356.451	3.101	40	0		FGABRM
CC(C)CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NC1CCCC1	ZINC000217518607	519663312	/nfs/dbraw/zinc/66/33/12/519663312.db2.gz	GZFAAJBTDFMGGZ-UHFFFAOYSA-N	-1	0	354.472	3.064	40	0		FGABRM
CCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NC1CCCCC1	ZINC000217419618	520694304	/nfs/dbraw/zinc/69/43/04/520694304.db2.gz	DIQDWMHFPCVUIB-UHFFFAOYSA-N	-1	0	354.472	3.208	40	0		FGABRM
CC(=O)Oc1ccc(-c2coc3cc(OCC(=O)[O-])c(C)cc3c2=O)cc1	ZINC000263583527	527118571	/nfs/dbraw/zinc/11/85/71/527118571.db2.gz	HHMDZPJLTJICBS-UHFFFAOYSA-N	-1	0	368.341	3.157	40	0		FGABRM
O=C([O-])c1cc2cccc(I)c2nc1OCC1CC1	ZINC000685937635	571319019	/nfs/dbraw/zinc/31/90/19/571319019.db2.gz	VNJZAJHZKJBIJL-UHFFFAOYSA-N	-1	0	369.158	3.326	40	0		FGABRM
O=C([O-])CCC[C@H](O)/C=C/C=C/C=C\[C@H](O)C/C=C\CCCCCO	ZINC000256161144	223003497	/nfs/dbraw/zinc/00/34/97/223003497.db2.gz	PTJFJXLGRSTECQ-HTFOJOJFSA-N	-1	0	352.471	3.131	40	0	in-vitro	FGABRM
Cc1c[nH]nc1[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CCO1	ZINC000257310175	223060498	/nfs/dbraw/zinc/06/04/98/223060498.db2.gz	UDZUNJDVEUPVRR-GOSISDBHSA-N	-1	0	367.405	3.250	40	0		FGABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1ccn(Cc2ccccc2Cl)n1	ZINC000013961369	220099961	/nfs/dbraw/zinc/09/99/61/220099961.db2.gz	NIVHSSUGHHUFPV-YIFBXAAPSA-N	-1	0	371.824	3.046	40	0		FGABRM
CCn1cc(-c2cc(C(=O)Nc3nc(-c4ccccn4)cs3)no2)cn1	ZINC000019665236	220284086	/nfs/dbraw/zinc/28/40/86/220284086.db2.gz	ROSOCOWGYNRGFB-UHFFFAOYSA-N	-1	0	366.406	3.329	40	0		FGABRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=S)NC(=O)CCC(C)C	ZINC000020151330	220316341	/nfs/dbraw/zinc/31/63/41/220316341.db2.gz	RTYJTNVLNMESLY-UHFFFAOYSA-N	-1	0	358.847	3.296	40	0		FGABRM
O=C([O-])CCC[C@H](O)/C=C\C=C\C=C\[C@@H](O)C/C=C\CCCCCO	ZINC000059206784	221125474	/nfs/dbraw/zinc/12/54/74/221125474.db2.gz	PTJFJXLGRSTECQ-HEYZVIGISA-N	-1	0	352.471	3.131	40	0	in-vitro	FGABRM
Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000008319197	263354511	/nfs/dbraw/zinc/35/45/11/263354511.db2.gz	KZPOZKZCQCUTPB-UHFFFAOYSA-N	-1	0	369.402	3.474	40	0		FGABRM
CS(=O)(=O)Nc1ccc(C(=O)Nc2c(F)cccc2F)c(Cl)c1	ZINC000020457280	263380975	/nfs/dbraw/zinc/38/09/75/263380975.db2.gz	IKSDYCANCQJQGX-UHFFFAOYSA-N	-1	0	360.769	3.242	40	0		FGABRM
CC(C)CN1C(=O)S/C(=C\c2cn(CC(=O)[O-])c3ccccc23)C1=O	ZINC000409131961	263532125	/nfs/dbraw/zinc/53/21/25/263532125.db2.gz	ZIKBMFWHVLPQAM-CHHVJCJISA-N	-1	0	358.419	3.418	40	0		FGABRM
Cc1ccc2[nH]c(C[C@H]3CN(C(=O)C(C)(C)C)CC[C@H]3CC(=O)[O-])nc2c1	ZINC000514288524	263774512	/nfs/dbraw/zinc/77/45/12/263774512.db2.gz	HFANEMFLQXMQET-GJZGRUSLSA-N	-1	0	371.481	3.399	40	0	biogenic,in-vitro	FGABRM
CCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1	ZINC000001744668	493797785	/nfs/dbraw/zinc/79/77/85/493797785.db2.gz	ZOAWRNSURJTFDT-UHFFFAOYSA-N	-1	0	351.428	3.221	40	0		FGABRM
Cc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c(Br)c1	ZINC000003863518	493859272	/nfs/dbraw/zinc/85/92/72/493859272.db2.gz	DJNCYVJSNFIMKE-OAACRXHESA-N	-1	0	350.212	3.219	40	0		FGABRM
CCOc1cc(/C=C2/NC(=O)[N-]C2=O)ccc1OCc1ccc(C)cc1	ZINC000059272153	493903888	/nfs/dbraw/zinc/90/38/88/493903888.db2.gz	NAVUDPYNFDKIJI-MHWRWJLKSA-N	-1	0	352.390	3.153	40	0		FGABRM
CCc1cccc(C)c1NC(=O)CC1=S([O-])c2ccccc2NC1=O	ZINC000005811856	493943259	/nfs/dbraw/zinc/94/32/59/493943259.db2.gz	XVSVWVOBVSNXAB-IVCQMTBJSA-N	-1	0	356.447	3.015	40	0		FGABRM
Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCCC2)cc1	ZINC000007051772	493997493	/nfs/dbraw/zinc/99/74/93/493997493.db2.gz	TVKYYBCPZCTGKS-UHFFFAOYSA-N	-1	0	368.462	3.339	40	0		FGABRM
CSc1nc2ccc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])cc2s1	ZINC000036390286	494091843	/nfs/dbraw/zinc/09/18/43/494091843.db2.gz	PVNVPKFOMSETPD-GHSKTYPESA-N	-1	0	360.460	3.480	40	0		FGABRM
O=C([O-])c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1O	ZINC000012029126	494200335	/nfs/dbraw/zinc/20/03/35/494200335.db2.gz	TXEHRXJEIVEAEW-UHFFFAOYSA-N	-1	0	356.161	3.415	40	0		FGABRM
C[C@@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccc2c(c1)CCC2	ZINC000054287955	494217103	/nfs/dbraw/zinc/21/71/03/494217103.db2.gz	TVDUCKCWJCRVLX-CYBMUJFWSA-N	-1	0	358.463	3.038	40	0		FGABRM
Cc1ccc(-c2cc(C[C@]3(C(=O)[O-])CCCN(C(=O)C4CC4)C3)on2)cc1	ZINC000012366484	494228183	/nfs/dbraw/zinc/22/81/83/494228183.db2.gz	UDUBSTPGBXYRBU-OAQYLSRUSA-N	-1	0	368.433	3.296	40	0		FGABRM
CC(C)NC(=O)c1ccccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1	ZINC000014291476	494314964	/nfs/dbraw/zinc/31/49/64/494314964.db2.gz	PVOBHYZTWSHTOQ-UHFFFAOYSA-N	-1	0	366.870	3.420	40	0		FGABRM
COc1ccc2c(C[C@H](NC(=O)OCc3ccccc3)C(=O)[O-])c[nH]c2c1	ZINC000044909840	494387825	/nfs/dbraw/zinc/38/78/25/494387825.db2.gz	PQVQYQWOSAUWIZ-SFHVURJKSA-N	-1	0	368.389	3.099	40	0		FGABRM
CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])c(O)c2)cc1	ZINC000020152889	494468351	/nfs/dbraw/zinc/46/83/51/494468351.db2.gz	MIAVFPZXGFCIJK-UHFFFAOYSA-N	-1	0	374.418	3.004	40	0		FGABRM
CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(O)c(C(=O)[O-])c2)c1	ZINC000020152744	494468973	/nfs/dbraw/zinc/46/89/73/494468973.db2.gz	QEWUJDVWEQDIPU-UHFFFAOYSA-N	-1	0	374.418	3.004	40	0		FGABRM
CCCCC[C@H](O)C=C[C@H]1C(O)=CC(=O)[C@@H]1CC=CCCCC(=O)[O-]	ZINC000027642708	494878772	/nfs/dbraw/zinc/87/87/72/494878772.db2.gz	LGMXPVXJSFPPTQ-DJUJBXLVSA-N	-1	0	350.455	3.459	40	0	in-vitro	FGABRM
COc1cccc2ccn(CCC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c21	ZINC000100793331	495066333	/nfs/dbraw/zinc/06/63/33/495066333.db2.gz	DLXSVSVIYGTRNM-FZNQNYSPSA-N	-1	0	358.438	3.047	40	0		FGABRM
CCCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NCCC(C)C	ZINC000217517234	496998155	/nfs/dbraw/zinc/99/81/55/496998155.db2.gz	GMOSGKHECCDYIJ-UHFFFAOYSA-N	-1	0	356.488	3.311	40	0		FGABRM
O=C([O-])c1ccc(NC2CCCC2)c(S(=O)(=O)NC2CCCCC2)c1	ZINC000217447451	496998293	/nfs/dbraw/zinc/99/82/93/496998293.db2.gz	GYUOWCHZHIRBAV-UHFFFAOYSA-N	-1	0	366.483	3.350	40	0		FGABRM
CCC[C@@H](C)NS(=O)(=O)c1ccc(NC2CCCC2)c(C(=O)[O-])c1	ZINC000217657085	496999164	/nfs/dbraw/zinc/99/91/64/496999164.db2.gz	KDBVEABVBWQLDX-GFCCVEGCSA-N	-1	0	354.472	3.206	40	0		FGABRM
CCCSc1nnc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)s1	ZINC000223012200	497031572	/nfs/dbraw/zinc/03/15/72/497031572.db2.gz	NEDSRNMFZXZTSM-UHFFFAOYSA-N	-1	0	359.498	3.158	40	0		FGABRM
CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1C	ZINC000224739688	497053057	/nfs/dbraw/zinc/05/30/57/497053057.db2.gz	WDKBATKGQALERM-UHFFFAOYSA-N	-1	0	363.435	3.290	40	0		FGABRM
NC(=O)c1cc(C(=O)CN(Cc2ccccc2)Cc2ccccc2)ccc1[O-]	ZINC000019943219	527024435	/nfs/dbraw/zinc/02/44/35/527024435.db2.gz	DNLPQXRWAKCKPX-UHFFFAOYSA-N	-1	0	374.440	3.376	40	0		FGABRM
CC/C=C\C[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000027639628	538124169	/nfs/dbraw/zinc/12/41/69/538124169.db2.gz	OFPLGKUICBQJOS-VHBDYOBYSA-N	-1	0	352.471	3.251	40	0	in-vitro	FGABRM
CCN1c2ccccc2/C(=C/c2ccc(OCC(=O)[O-])c(OC)c2)C1=O	ZINC000409122140	570728610	/nfs/dbraw/zinc/72/86/10/570728610.db2.gz	ZQXSHPOVFHZRGT-GDNBJRDFSA-N	-1	0	353.374	3.066	40	0		FGABRM
O=C([O-])[C@@H]1[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218550018	222684199	/nfs/dbraw/zinc/68/41/99/222684199.db2.gz	LYIFPDMBKRPOME-ZNMIVQPWSA-N	-1	0	354.786	3.120	40	0		FGABRM
CCOC(=O)c1cc(CC)sc1NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000004894620	219620049	/nfs/dbraw/zinc/62/00/49/219620049.db2.gz	BTLIHKKZGABIKM-OAACRXHESA-N	-1	0	365.451	3.173	40	0		FGABRM
Cc1cc(Nc2cc(-c3cccnc3)nc(NCC(=O)[O-])n2)ccc1Cl	ZINC000329026057	223129937	/nfs/dbraw/zinc/12/99/37/223129937.db2.gz	PJNTWXSNLKVLPR-UHFFFAOYSA-N	-1	0	369.812	3.162	40	0		FGABRM
COc1ccc(-c2c(C)[n-]n3c2nc(-c2ccncc2)cc3=O)cc1OC	ZINC000019582071	220275201	/nfs/dbraw/zinc/27/52/01/220275201.db2.gz	GCVGTKFMXSFGFN-UHFFFAOYSA-N	-1	0	362.389	3.490	40	0		FGABRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)COc1ccccc1F	ZINC000020144597	220315557	/nfs/dbraw/zinc/31/55/57/220315557.db2.gz	BCNPLBUJHIJEIM-UHFFFAOYSA-N	-1	0	353.733	3.203	40	0		FGABRM
Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)(C)C)ccc1F	ZINC000060525609	221132385	/nfs/dbraw/zinc/13/23/85/221132385.db2.gz	VJWZPROLOWIOIK-UHFFFAOYSA-N	-1	0	364.442	3.463	40	0		FGABRM
C[C@@H](NS(=O)(=O)c1ccccc1)c1onc(-c2ccccc2)c1C(=O)[O-]	ZINC000096297032	222112126	/nfs/dbraw/zinc/11/21/26/222112126.db2.gz	BFZJVHOTZRGFPE-GFCCVEGCSA-N	-1	0	372.402	3.079	40	0	biogenic,in-vitro	FGABRM
C[C@@H](NC(=O)c1cccnc1)c1onc(-c2ccc(F)cc2)c1C(=O)[O-]	ZINC000096296979	222112283	/nfs/dbraw/zinc/11/22/83/222112283.db2.gz	TWWAGYRCODECKU-SNVBAGLBSA-N	-1	0	355.325	3.065	40	0	biogenic,in-vitro	FGABRM
O=C([O-])/C=C/C(=O)Nc1cc2c(cc1Br)-c1ccccc1[C@H]2O	ZINC000001693079	493797573	/nfs/dbraw/zinc/79/75/73/493797573.db2.gz	BFRKFETWKLONCI-FUTAKVPZSA-N	-1	0	374.190	3.091	40	0		FGABRM
CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000005094730	493913663	/nfs/dbraw/zinc/91/36/63/493913663.db2.gz	VDHOHBNZFUFZAP-WVWOOGAGSA-N	-1	0	365.451	3.227	40	0		FGABRM
CCCCOC(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc1	ZINC000005420026	493929447	/nfs/dbraw/zinc/92/94/47/493929447.db2.gz	HFDHETNYJMNHOF-WTTBNOFXSA-N	-1	0	357.406	3.105	40	0		FGABRM
CC(C)[C@@H](N[C@H]1CC(c2ccc(Oc3ccccc3)cc2)=NN1)C(=O)[O-]	ZINC000005560071	493935344	/nfs/dbraw/zinc/93/53/44/493935344.db2.gz	UZKYYNQEEOZFSO-RTBURBONSA-N	-1	0	353.422	3.201	40	0		FGABRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1	ZINC000005713042	493940308	/nfs/dbraw/zinc/94/03/08/493940308.db2.gz	LAMVPDDPHUKKDX-MHWRWJLKSA-N	-1	0	370.792	3.405	40	0		FGABRM
CCCN1C(=O)S/C(=C/c2cc(OCC)c([O-])c([N+](=O)[O-])c2)C1=O	ZINC000006655562	493972985	/nfs/dbraw/zinc/97/29/85/493972985.db2.gz	LWXXUSKPHMPIKS-XYOKQWHBSA-N	-1	0	352.368	3.145	40	0		FGABRM
CCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C)c1	ZINC000006706780	493975199	/nfs/dbraw/zinc/97/51/99/493975199.db2.gz	GWNZQPYHUQNEIY-UHFFFAOYSA-N	-1	0	352.843	3.199	40	0		FGABRM
O=C([O-])c1ccc(NC(=S)NC(=O)/C=C/c2ccco2)cc1Cl	ZINC000006926618	493987192	/nfs/dbraw/zinc/98/71/92/493987192.db2.gz	QDXUZISWYSELAB-GQCTYLIASA-N	-1	0	350.783	3.158	40	0		FGABRM
COc1cc(COc2ccc(/C=C/C(=O)N[C@H](C)C(=O)[O-])cc2)ccc1C	ZINC000062715718	494021231	/nfs/dbraw/zinc/02/12/31/494021231.db2.gz	SNQPHEFWPBHQTO-KUCQQTCKSA-N	-1	0	369.417	3.185	40	0		FGABRM
Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2cccc(C(=O)[O-])c2)CC1=O	ZINC000007928115	494053536	/nfs/dbraw/zinc/05/35/36/494053536.db2.gz	VYTCVJRQQHHLEV-CYBMUJFWSA-N	-1	0	372.808	3.338	40	0		FGABRM
CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@H](O)C[C@@H]1O	ZINC000008552293	494096501	/nfs/dbraw/zinc/09/65/01/494096501.db2.gz	PXGPLTODNUVGFL-WTKFZEAQSA-N	-1	0	354.487	3.043	40	0	endogenous,in-man	FGABRM
CC(C)(C)OC(=O)N1C[C@H](Oc2ccc3ncccc3c2)C[C@H]1C(=O)[O-]	ZINC000039954378	494125015	/nfs/dbraw/zinc/12/50/15/494125015.db2.gz	JKSXPEYTCUUMMA-ZBFHGGJFSA-N	-1	0	358.394	3.076	40	0		FGABRM
COc1ccc(-c2cc(=O)n3nc(-c4cccc(Cl)c4)[n-]c3n2)cc1	ZINC000009936131	494137492	/nfs/dbraw/zinc/13/74/92/494137492.db2.gz	XVXLQRBGSCEZIK-UHFFFAOYSA-N	-1	0	352.781	3.414	40	0		FGABRM
CN1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@@H]1c1ccc(Br)cc1	ZINC000072228388	494145220	/nfs/dbraw/zinc/14/52/20/494145220.db2.gz	SJRPTWOVLJCETI-CABCVRRESA-N	-1	0	360.207	3.444	40	0		FGABRM
CCCCC/C=C\C[C@H]1[C@H](O)C[C@H](O)[C@H]1/C=C/[C@H](O)CCCC(=O)[O-]	ZINC000043772219	494317831	/nfs/dbraw/zinc/31/78/31/494317831.db2.gz	RZCPXIZGLPAGEV-NVWAOVOPSA-N	-1	0	354.487	3.043	40	0	in-vitro	FGABRM
O=C([O-])[C@@H]1[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218551360	497004073	/nfs/dbraw/zinc/00/40/73/497004073.db2.gz	BBGKUGWNEADOPG-ZNMIVQPWSA-N	-1	0	354.786	3.120	40	0		FGABRM
COc1cc2c(cc1S(=O)(=O)[N-]c1cccc(NC(C)=O)c1)CCCC2	ZINC000223484157	497037743	/nfs/dbraw/zinc/03/77/43/497037743.db2.gz	RUVBZUQCSBGAHQ-UHFFFAOYSA-N	-1	0	374.462	3.333	40	0		FGABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)c1	ZINC000225611999	497069576	/nfs/dbraw/zinc/06/95/76/497069576.db2.gz	WYJZDLNCYPXYGX-UHFFFAOYSA-N	-1	0	351.424	3.130	40	0		FGABRM
CCn1c(COc2ccccc2)nnc1SCc1ccc(C(=O)[O-])o1	ZINC000408555276	499592083	/nfs/dbraw/zinc/59/20/83/499592083.db2.gz	WHUXQKXHCRLLPO-UHFFFAOYSA-N	-1	0	359.407	3.461	40	0		FGABRM
CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OC)cc1	ZINC000408558935	499592233	/nfs/dbraw/zinc/59/22/33/499592233.db2.gz	UPAMHPODNACPND-UHFFFAOYSA-N	-1	0	364.423	3.373	40	0		FGABRM
O=C([O-])CC[C@H](c1ccccc1)N1CCN(C(=O)c2cccs2)CC1	ZINC000408613588	499593059	/nfs/dbraw/zinc/59/30/59/499593059.db2.gz	YMLJYBJQCMXMFZ-MRXNPFEDSA-N	-1	0	358.463	3.112	40	0		FGABRM
CCOc1cc(/C=C/C(=O)Nc2ccc(C(=O)[O-])cc2O)ccc1OC	ZINC000408607695	499593126	/nfs/dbraw/zinc/59/31/26/499593126.db2.gz	NEYRMMBYLLIADU-WEVVVXLNSA-N	-1	0	357.362	3.150	40	0		FGABRM
CCC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2CC)ccc1OC	ZINC000408699606	499593817	/nfs/dbraw/zinc/59/38/17/499593817.db2.gz	YENBWDHSBLULKI-UHFFFAOYSA-N	-1	0	362.451	3.407	40	0		FGABRM
Cc1ccccc1NC(=O)[C@H](Cc1ccccc1)[N-]C(=O)C(F)(F)F	ZINC000408719476	499594651	/nfs/dbraw/zinc/59/46/51/499594651.db2.gz	FAXVZBXUDZUMGC-HNNXBMFYSA-N	-1	0	350.340	3.223	40	0		FGABRM
CCCCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NC1CCCC1	ZINC000217446009	520228993	/nfs/dbraw/zinc/22/89/93/520228993.db2.gz	MRWLZYMLBFVPSD-UHFFFAOYSA-N	-1	0	354.472	3.208	40	0		FGABRM
CCCCC[C@@](C)(O)/C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000090428115	520297204	/nfs/dbraw/zinc/29/72/04/520297204.db2.gz	DLJKPYFALUEJCK-SASBSOHYSA-N	-1	0	368.514	3.433	40	0		FGABRM
CC(C)(C)C(=O)N1CC[C@@H](Cc2cc(-c3ccccc3C(=O)[O-])ncn2)C1	ZINC000257237011	527578336	/nfs/dbraw/zinc/57/83/36/527578336.db2.gz	HEUZAMVRPOBVHD-AWEZNQCLSA-N	-1	0	367.449	3.279	40	0		FGABRM
O=C([O-])CCNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1	ZINC000409194460	570738420	/nfs/dbraw/zinc/73/84/20/570738420.db2.gz	CDHWSSHJVKOFPY-UHFFFAOYSA-N	-1	0	358.177	3.370	40	0		FGABRM
CCN1c2ccc(S(=O)(=O)[N-]c3nccs3)c3cccc(c23)C1=O	ZINC000001463327	204010040	/nfs/dbraw/zinc/01/00/40/204010040.db2.gz	YQQFTLWZUOYJED-UHFFFAOYSA-N	-1	0	359.432	3.077	40	0		FGABRM
Cc1ccc(S(=O)(=O)[N-]C(=O)Oc2nc3cc(Cl)ccc3o2)cc1	ZINC000001572540	204011839	/nfs/dbraw/zinc/01/18/39/204011839.db2.gz	KKOHSMYZYOHRIA-UHFFFAOYSA-N	-1	0	366.782	3.267	40	0		FGABRM
CCOC(=O)c1sc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)nc1C	ZINC000006352255	204246252	/nfs/dbraw/zinc/24/62/52/204246252.db2.gz	YBVBUTSTYCVACR-UHFFFAOYSA-N	-1	0	368.480	3.354	40	0		FGABRM
CCCCC[C@H](O)/C=C\[C@@H]1[C@H](O)C[C@H]2O/C(=C\CCCC(=O)[O-])C[C@@H]21	ZINC000037541158	205028010	/nfs/dbraw/zinc/02/80/10/205028010.db2.gz	KAQKFAOMNZTLHT-UZJMOWCNSA-N	-1	0	352.471	3.409	40	0		FGABRM
O=C([O-])[C@@H]1COC2(CCCCC2)N1C(=O)c1ccc(Br)cc1	ZINC000071979751	205458811	/nfs/dbraw/zinc/45/88/11/205458811.db2.gz	BMXJRZNOCXPXFU-ZDUSSCGKSA-N	-1	0	368.227	3.035	40	0		FGABRM
CCOC(=O)C1=NN(c2ccc(Oc3ccccc3)cc2)[C@@H](C(=O)[O-])C1	ZINC000071979372	205459462	/nfs/dbraw/zinc/45/94/62/205459462.db2.gz	XTZVIPSNMRKTNQ-QGZVFWFLSA-N	-1	0	354.362	3.061	40	0		FGABRM
O=C(C=C([O-])c1ccc(I)cc1)c1ccccc1O	ZINC000113704411	206092531	/nfs/dbraw/zinc/09/25/31/206092531.db2.gz	WRGXHCVKWVYEAV-UHFFFAOYSA-N	-1	0	366.154	3.453	40	0		FGABRM
COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c1	ZINC000131225051	206125759	/nfs/dbraw/zinc/12/57/59/206125759.db2.gz	LYHYTSZEFUBCFI-UHFFFAOYSA-N	-1	0	351.399	3.338	40	0		FGABRM
O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccncc3)[C@@H]2C(=O)N1c1ccccc1	ZINC000102732783	206230381	/nfs/dbraw/zinc/23/03/81/206230381.db2.gz	CYMUQKWPHCOSDQ-ZCNNSNEGSA-N	-1	0	371.396	3.133	40	0		FGABRM
COc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)[O-])c(O)c1	ZINC000020258464	206330032	/nfs/dbraw/zinc/33/00/32/206330032.db2.gz	GBQYQDRLYLOXEY-UHFFFAOYSA-N	-1	0	366.167	3.114	40	0		FGABRM
CC(C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1N[C@@H](C)c1ccccc1	ZINC000217417083	206362135	/nfs/dbraw/zinc/36/21/35/206362135.db2.gz	YJNMLUQHMPARDZ-ZDUSSCGKSA-N	-1	0	362.451	3.245	40	0		FGABRM
CCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1	ZINC000006205724	493955265	/nfs/dbraw/zinc/95/52/65/493955265.db2.gz	WHPXJQQFRASKSI-UHFFFAOYSA-N	-1	0	352.843	3.199	40	0		FGABRM
COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC)c(OC)c1	ZINC000006352301	493960182	/nfs/dbraw/zinc/96/01/82/493960182.db2.gz	QKIFVZQEZATGRQ-UHFFFAOYSA-N	-1	0	357.815	3.167	40	0		FGABRM
COC(=O)Cn1c(CCC(=O)[O-])ccc1-c1ccc(Br)cc1	ZINC000006579181	493969174	/nfs/dbraw/zinc/96/91/74/493969174.db2.gz	KNYHOOUQFNPPOM-UHFFFAOYSA-N	-1	0	366.211	3.108	40	0		FGABRM
C=CCn1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c2ccccc21	ZINC000007468875	494024241	/nfs/dbraw/zinc/02/42/41/494024241.db2.gz	JIBQUBDYRBJZCC-SFQUDFHCSA-N	-1	0	363.417	3.232	40	0		FGABRM
Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2)CC1=O	ZINC000007928114	494053280	/nfs/dbraw/zinc/05/32/80/494053280.db2.gz	VFCUIQZYTHFTHZ-ZDUSSCGKSA-N	-1	0	372.808	3.338	40	0		FGABRM
CCCCC[C@H](O)/C=C\[C@H]1[C@H](O)CC(=O)[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000085483830	494129098	/nfs/dbraw/zinc/12/90/98/494129098.db2.gz	XEYBRNLFEZDVAW-GYKFUXPNSA-N	-1	0	352.471	3.251	40	0		FGABRM
CCC(=O)N1CCC[C@](Cc2cc(-c3ccccc3C)no2)(C(=O)[O-])C1	ZINC000072395056	494163685	/nfs/dbraw/zinc/16/36/85/494163685.db2.gz	KWTAMFTUOYNAGS-HXUWFJFHSA-N	-1	0	356.422	3.296	40	0		FGABRM
O=C([O-])COc1cccc(-c2nc(=O)c3c4c(sc3[nH]2)CCCCC4)c1	ZINC000054752970	494266413	/nfs/dbraw/zinc/26/64/13/494266413.db2.gz	AQPMGPNSNPFMPU-UHFFFAOYSA-N	-1	0	370.430	3.384	40	0		FGABRM
Cc1ccc(C)c([C@@H](NC(=O)CCc2cc(=O)[n-]o2)c2ccncc2)c1	ZINC000019132233	494436936	/nfs/dbraw/zinc/43/69/36/494436936.db2.gz	YLBROKOUYSNCFB-FQEVSTJZSA-N	-1	0	351.406	3.230	40	0		FGABRM
CCc1ccccc1N(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1	ZINC000020061318	494466336	/nfs/dbraw/zinc/46/63/36/494466336.db2.gz	AEVYHMFZZLOZBR-UHFFFAOYSA-N	-1	0	353.827	3.182	40	0		FGABRM
Cc1cc(NC(=O)c2ccc(Br)cc2)cc(C(=O)[O-])c1O	ZINC000020138281	494467183	/nfs/dbraw/zinc/46/71/83/494467183.db2.gz	DEIHFWVDIYRPPZ-UHFFFAOYSA-N	-1	0	350.168	3.414	40	0		FGABRM
COc1ccc(-c2c(C)[n-]n3c2nc(-c2cccnc2)cc3=O)cc1OC	ZINC000100219602	495064324	/nfs/dbraw/zinc/06/43/24/495064324.db2.gz	JRJSSHMZYWSCIC-UHFFFAOYSA-N	-1	0	362.389	3.490	40	0		FGABRM
COc1cc(CCc2ccccc2)c(C(=O)[O-])c2c1C[C@H](O)C(C)(C)O2	ZINC000138700111	495466053	/nfs/dbraw/zinc/46/60/53/495466053.db2.gz	CXFZCZSMQFGFHC-KRWDZBQOSA-N	-1	0	356.418	3.253	40	0	biogenic,in-vitro	FGABRM
O=C([O-])[C@@H](Cc1ccc(I)cc1)Oc1ccccc1	ZINC000225067322	497056758	/nfs/dbraw/zinc/05/67/58/497056758.db2.gz	XEWGDUSJIGKDFN-CQSZACIVSA-N	-1	0	368.170	3.366	40	0		FGABRM
CCOc1ccc(S(=O)(=O)[N-]c2nnc(SC(C)C)s2)cc1	ZINC000225835396	497077499	/nfs/dbraw/zinc/07/74/99/497077499.db2.gz	GMMSQGRGYDKQFQ-UHFFFAOYSA-N	-1	0	359.498	3.238	40	0		FGABRM
O=C([O-])c1nn(-c2ccccc2F)nc1N1CC[C@@H](c2ccccc2)C1	ZINC000256049445	497382854	/nfs/dbraw/zinc/38/28/54/497382854.db2.gz	ZXPSSDTZGZOXIF-CQSZACIVSA-N	-1	0	352.369	3.099	40	0		FGABRM
CC(=O)N(Cc1sccc1C)c1ccc(N2CCOCC2)c(C(=O)[O-])c1	ZINC000408567830	499592501	/nfs/dbraw/zinc/59/25/01/499592501.db2.gz	RREOZBHFXLNDSD-UHFFFAOYSA-N	-1	0	374.462	3.144	40	0		FGABRM
CCOc1cc(/C=C/C(=O)Nc2cc(C(=O)[O-])ccc2O)ccc1OC	ZINC000408611177	499593094	/nfs/dbraw/zinc/59/30/94/499593094.db2.gz	SJHCDZTTYPMLJN-WEVVVXLNSA-N	-1	0	357.362	3.150	40	0		FGABRM
CCCCC[C@H](O)/C=C\[C@@H]1[C@@H](CCCCCCC(=O)[O-])[C@H](O)C[C@@H]1O	ZINC000090429308	520315640	/nfs/dbraw/zinc/31/56/40/520315640.db2.gz	DZUXGQBLFALXCR-GYWKNRPESA-N	-1	0	356.503	3.267	40	0		FGABRM
CC(C)CC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](Cc2nc3ccccc3[nH]2)C1	ZINC000514289239	560033118	/nfs/dbraw/zinc/03/31/18/560033118.db2.gz	KAOXQKJFQLXPLO-GJZGRUSLSA-N	-1	0	357.454	3.091	40	0	biogenic,in-vitro	FGABRM
COc1ccc(S(=O)(=O)Oc2cccc3ccccc32)cc1C(=O)[O-]	ZINC000011691504	695601666	/nfs/dbraw/zinc/60/16/66/695601666.db2.gz	CZNPZBRDSFQMRB-UHFFFAOYSA-N	-1	0	358.371	3.314	40	0		FGABRM
COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)[O-])c(OC)c2)c(OC)c1	ZINC000096111375	291070671	/nfs/dbraw/zinc/07/06/71/291070671.db2.gz	DQQXVSVJAJUHOB-UHFFFAOYSA-N	-1	0	360.362	3.247	40	0	biogenic,in-vitro	FGABRM
O=C([O-])[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CS1	ZINC000001582907	204013808	/nfs/dbraw/zinc/01/38/08/204013808.db2.gz	SYWHMVZDOKZPSH-KRWDZBQOSA-N	-1	0	355.415	3.395	40	0		FGABRM
COc1ccc(Cc2nc3ccccc3n2C[C@@H](C)C(=O)[O-])cc1OC	ZINC000004243840	204128992	/nfs/dbraw/zinc/12/89/92/204128992.db2.gz	HFUWLJHUWPHITE-CYBMUJFWSA-N	-1	0	354.406	3.365	40	0		FGABRM
O=C([O-])CCCCCC[C@@H]1C(=O)NC(=O)[C@H]1CC[C@@H](O)C1CCCCC1	ZINC000027639316	204865654	/nfs/dbraw/zinc/86/56/54/204865654.db2.gz	QDVVSQBTMYMOHR-YESZJQIVSA-N	-1	0	367.486	3.022	40	0	in-vitro	FGABRM
CCCCC[C@@H](O)/C=C/C=C\C=C\C=C\[C@@H](O)[C@@H](O)CCCC(=O)[O-]	ZINC000029127792	204895201	/nfs/dbraw/zinc/89/52/01/204895201.db2.gz	IXAQOQZEOGMIQS-JEWNPAEBSA-N	-1	0	352.471	3.129	40	0	in-vitro	FGABRM
CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H](O)[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000043898702	205106089	/nfs/dbraw/zinc/10/60/89/205106089.db2.gz	PXGPLTODNUVGFL-GTXDYMSZSA-N	-1	0	354.487	3.043	40	0	in-vitro	FGABRM
CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F	ZINC000145525405	206139789	/nfs/dbraw/zinc/13/97/89/206139789.db2.gz	DGWDPCPTDFLLGD-UHFFFAOYSA-N	-1	0	351.399	3.284	40	0		FGABRM
Cc1ccc(-n2c(COc3ccccc3)nnc2SCC(=O)[O-])cc1	ZINC000000906866	206140416	/nfs/dbraw/zinc/14/04/16/206140416.db2.gz	BKOSKZZNPZOQOI-UHFFFAOYSA-N	-1	0	355.419	3.331	40	0		FGABRM
O=S(=O)([N-]c1ccc(-c2cn3ccsc3n2)cc1)c1cccnc1	ZINC000004249135	206172608	/nfs/dbraw/zinc/17/26/08/206172608.db2.gz	BFZIXXBUKWYZFV-UHFFFAOYSA-N	-1	0	356.432	3.259	40	0		FGABRM
COc1ccc2c(ccn2CCC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)c1	ZINC000101567270	206227490	/nfs/dbraw/zinc/22/74/90/206227490.db2.gz	FTWQBZRJDUMWBJ-GASCZTMLSA-N	-1	0	358.438	3.047	40	0		FGABRM
O=C([O-])COc1ccc(NC(=O)COc2ccc(Cl)c(Cl)c2)cc1	ZINC000001749833	206228814	/nfs/dbraw/zinc/22/88/14/206228814.db2.gz	GZQUZTIDRYDSHG-UHFFFAOYSA-N	-1	0	370.188	3.474	40	0		FGABRM
Cc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc3ccccc3c2)cc1	ZINC000008732098	206248172	/nfs/dbraw/zinc/24/81/72/206248172.db2.gz	IOMLKUISYPKIPU-UHFFFAOYSA-N	-1	0	355.415	3.428	40	0		FGABRM
Cc1ccc(C(=O)[O-])cc1NC(=O)COc1ccc(Br)cc1	ZINC000013169828	206301063	/nfs/dbraw/zinc/30/10/63/206301063.db2.gz	IDVJNKYTGKFXOW-UHFFFAOYSA-N	-1	0	364.195	3.473	40	0		FGABRM
CCC[C@H](C)Nc1ccc(S(=O)(=O)N[C@@H](C)CCC)cc1C(=O)[O-]	ZINC000217661599	206366423	/nfs/dbraw/zinc/36/64/23/206366423.db2.gz	GVMYTMDHVUISOD-STQMWFEESA-N	-1	0	356.488	3.452	40	0		FGABRM
Cc1nc([N-]S(C)(=O)=O)sc1C(=O)Nc1cccc(Cl)c1C	ZINC000225877768	206504638	/nfs/dbraw/zinc/50/46/38/206504638.db2.gz	KJNWDWSEYMFWAS-UHFFFAOYSA-N	-1	0	359.860	3.037	40	0		FGABRM
Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NCC(C)C	ZINC000017128505	263372163	/nfs/dbraw/zinc/37/21/63/263372163.db2.gz	WVSITWHFXANJHI-UHFFFAOYSA-N	-1	0	364.442	3.321	40	0		FGABRM
CCCc1nc(SC(=Cc2ccc(OCC)c(OC)c2)C(=O)[O-])n[nH]1	ZINC000007342246	494016681	/nfs/dbraw/zinc/01/66/81/494016681.db2.gz	ZVLRYPORAQVKAF-UVTDQMKNSA-N	-1	0	363.439	3.382	40	0		FGABRM
CCOc1c(/C=C(\Sc2nnc(CC)o2)C(=O)[O-])cccc1OC	ZINC000007603376	494029449	/nfs/dbraw/zinc/02/94/49/494029449.db2.gz	QSGWYEFPARHJJZ-XFXZXTDPSA-N	-1	0	350.396	3.257	40	0		FGABRM
O=C([O-])c1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1	ZINC000007882236	494049607	/nfs/dbraw/zinc/04/96/07/494049607.db2.gz	RJXRILSHESEGQC-LBPRGKRZSA-N	-1	0	358.781	3.030	40	0		FGABRM
COc1cc(OC)cc([C@@H](CC(=O)[O-])NC(=O)OCc2ccccc2)c1	ZINC000038580573	494114514	/nfs/dbraw/zinc/11/45/14/494114514.db2.gz	GYZSHZZHYOWILV-QGZVFWFLSA-N	-1	0	359.378	3.146	40	0		FGABRM
O=C([O-])C1(C[C@H]2CC(c3ccc(OC(F)(F)F)cc3)=NO2)CCOCC1	ZINC000012156874	494209619	/nfs/dbraw/zinc/20/96/19/494209619.db2.gz	JIBGNADZRKXJDU-CYBMUJFWSA-N	-1	0	373.327	3.350	40	0		FGABRM
COc1cc(C(=S)NCc2ccccc2Cl)ccc1OCC(=O)[O-]	ZINC000013547337	494289183	/nfs/dbraw/zinc/28/91/83/494289183.db2.gz	YLSCRDIMUPMJAB-UHFFFAOYSA-N	-1	0	365.838	3.277	40	0		FGABRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C#N)cc3)C2=O)cc1Cl	ZINC000015227118	494343674	/nfs/dbraw/zinc/34/36/74/494343674.db2.gz	QGPOABDMGPAXGX-NVNXTCNLSA-N	-1	0	365.776	3.187	40	0		FGABRM
CCCCC[C@@H](O)/C=C\C=C\C=C/C=C\[C@@H](O)[C@H](O)CCCC(=O)[O-]	ZINC000027644559	494878664	/nfs/dbraw/zinc/87/86/64/494878664.db2.gz	IXAQOQZEOGMIQS-CLERYCQESA-N	-1	0	352.471	3.129	40	0	in-vitro	FGABRM
CCCCC[C@@H](O)/C=C/[C@H]1C(=O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000027638760	494878714	/nfs/dbraw/zinc/87/87/14/494878714.db2.gz	BHMBVRSPMRCCGG-OBHBYKKGSA-N	-1	0	352.471	3.251	40	0	in-vitro	FGABRM
O=C([O-])C1=C[C@H](c2ccccc2)c2c(=O)[nH]c(Nc3ccccc3)nc2N1	ZINC000102277109	495127778	/nfs/dbraw/zinc/12/77/78/495127778.db2.gz	DELWSGYYEVMZRD-CQSZACIVSA-N	-1	0	360.373	3.039	40	0		FGABRM
O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1cccc(-n2cccc2)c1	ZINC000257297803	497400707	/nfs/dbraw/zinc/40/07/07/497400707.db2.gz	RIWCIVDPEITJSG-UHFFFAOYSA-N	-1	0	360.822	3.249	40	0		FGABRM
CCC(=O)Nc1cc(S(=O)(=O)Nc2cc(C)cc(C)c2)ccc1OC	ZINC000408698502	499593806	/nfs/dbraw/zinc/59/38/06/499593806.db2.gz	QIRVJDCVHIBFOB-UHFFFAOYSA-N	-1	0	362.451	3.461	40	0		FGABRM
COc1ccc(CNC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1C(=O)[O-]	ZINC000532252284	504586815	/nfs/dbraw/zinc/58/68/15/504586815.db2.gz	HKJJJQXKYLGLCK-NWDGAFQWSA-N	-1	0	359.344	3.378	40	0		FGABRM
O=C([O-])c1ccc(NCc2ccccc2)c(S(=O)(=O)NC2CCCC2)c1	ZINC000217444593	526379811	/nfs/dbraw/zinc/37/98/11/526379811.db2.gz	STCGAPYLCMXRGN-UHFFFAOYSA-N	-1	0	374.462	3.218	40	0		FGABRM
CC(C)(C)OC(=O)N[C@H](Cc1ccc(C(=O)OC(C)(C)C)cc1)C(=O)[O-]	ZINC000145099225	571140439	/nfs/dbraw/zinc/14/04/39/571140439.db2.gz	JQJBYNUASUPTSZ-CQSZACIVSA-N	-1	0	365.426	3.162	40	0		FGABRM
O=C([O-])c1ccc(CN(Cc2ccccc2)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1	ZINC000585091833	571219486	/nfs/dbraw/zinc/21/94/86/571219486.db2.gz	WRXQOOOJBHUKMD-AQNXPRMDSA-N	-1	0	365.429	3.481	40	0		FGABRM
CC(C)Oc1nc2cc(I)ccc2cc1C(=O)[O-]	ZINC000685936831	571318920	/nfs/dbraw/zinc/31/89/20/571318920.db2.gz	BYCLEURVOQHSFN-UHFFFAOYSA-N	-1	0	357.147	3.325	40	0		FGABRM
CC(C)Oc1nc2c(I)cccc2cc1C(=O)[O-]	ZINC000685937070	571318949	/nfs/dbraw/zinc/31/89/49/571318949.db2.gz	JLNREOVYFZAGJG-UHFFFAOYSA-N	-1	0	357.147	3.325	40	0		FGABRM
CC(C)C[C@](C)(CC(=O)[O-])C(=O)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21	ZINC000634923120	717131507	/nfs/dbraw/zinc/13/15/07/717131507.db2.gz	SEFYHSMQOJYFRN-JTDSTZFVSA-N	-1	0	351.487	3.321	40	0		FGABRM
O=C(NC([N-]c1nccs1)(C(F)(F)F)C(F)(F)F)c1ccncc1	ZINC000004614429	204150208	/nfs/dbraw/zinc/15/02/08/204150208.db2.gz	IPVVVRQCHHRMKE-UHFFFAOYSA-N	-1	0	370.278	3.201	40	0		FGABRM
COc1ccc([C@H](C)c2cc3c(cc2OCC(=O)[O-])OCO3)cc1OC	ZINC000006437367	204248300	/nfs/dbraw/zinc/24/83/00/204248300.db2.gz	CSGIZLOVZYLTQP-NSHDSACASA-N	-1	0	360.362	3.048	40	0		FGABRM
CC(C)[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000009859464	204384486	/nfs/dbraw/zinc/38/44/86/204384486.db2.gz	RSKZHBCLJUBYSM-GFCCVEGCSA-N	-1	0	352.481	3.323	40	0		FGABRM
O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)CC12CC3CC(CC(C3)C1)C2	ZINC000010272130	204393183	/nfs/dbraw/zinc/39/31/83/204393183.db2.gz	YXWJSUCRUSKCFQ-CARYKQCGSA-N	-1	0	357.450	3.111	40	0		FGABRM
CCCCC[C@@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000043772121	205104942	/nfs/dbraw/zinc/10/49/42/205104942.db2.gz	WMHAOJIJVNDMKA-IEWDOMPSSA-N	-1	0	358.519	3.491	40	0	in-vitro	FGABRM
Cc1ccc(C)c(N2C(=O)C[C@@H](Sc3ccccc3C(=O)[O-])C2=O)c1	ZINC000101273961	205956053	/nfs/dbraw/zinc/95/60/53/205956053.db2.gz	KYNILZXPMBBYCN-MRXNPFEDSA-N	-1	0	355.415	3.426	40	0		FGABRM
COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c1	ZINC000109067927	206045655	/nfs/dbraw/zinc/04/56/55/206045655.db2.gz	JNPDVFINGLBOMB-UHFFFAOYSA-N	-1	0	357.790	3.375	40	0		FGABRM
Cc1ccccc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccon2)cs1	ZINC000006681748	206204275	/nfs/dbraw/zinc/20/42/75/206204275.db2.gz	CVRNZIFTELMHER-UHFFFAOYSA-N	-1	0	363.420	3.098	40	0		FGABRM
O=C([O-])CN(CCc1ccccc1)C(=O)c1ccc(Br)cc1	ZINC000178142228	206302312	/nfs/dbraw/zinc/30/23/12/206302312.db2.gz	XRQUMLBNSXRLKR-UHFFFAOYSA-N	-1	0	362.223	3.219	40	0		FGABRM
CC(C)(C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1ccccc1	ZINC000217471555	206362294	/nfs/dbraw/zinc/36/22/94/206362294.db2.gz	PKLCVTQSJCJZQO-UHFFFAOYSA-N	-1	0	362.451	3.074	40	0		FGABRM
CC(C)(C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)NC1CCCCC1	ZINC000217447189	206363027	/nfs/dbraw/zinc/36/30/27/206363027.db2.gz	LCDZFQGYFAFSHU-UHFFFAOYSA-N	-1	0	354.472	3.206	40	0		FGABRM
CCCNS(=O)(=O)c1ccc(N[C@@H](C)c2ccccc2)c(C(=O)[O-])c1	ZINC000217543141	206364349	/nfs/dbraw/zinc/36/43/49/206364349.db2.gz	QRVPVFITGAKZPO-ZDUSSCGKSA-N	-1	0	362.451	3.246	40	0		FGABRM
CCc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(SC)cc2)cc1	ZINC000224981432	206466984	/nfs/dbraw/zinc/46/69/84/206466984.db2.gz	OGDXBJOODXRLLF-UHFFFAOYSA-N	-1	0	365.476	3.251	40	0		FGABRM
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2SC)c1	ZINC000028196817	493779352	/nfs/dbraw/zinc/77/93/52/493779352.db2.gz	JJEKKJQAXHOGAU-UHFFFAOYSA-N	-1	0	351.449	3.304	40	0		FGABRM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)c1	ZINC000005126995	493915263	/nfs/dbraw/zinc/91/52/63/493915263.db2.gz	IPCUMUTTXQFDNO-UHFFFAOYSA-N	-1	0	357.815	3.167	40	0		FGABRM
CCOc1cc([C@@H]2NN=C(c3ccccc3)S2)ccc1OCC(=O)[O-]	ZINC000006961003	493990278	/nfs/dbraw/zinc/99/02/78/493990278.db2.gz	IPVTUANHEXXTOW-GOSISDBHSA-N	-1	0	358.419	3.246	40	0		FGABRM
CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1	ZINC000033870632	494064618	/nfs/dbraw/zinc/06/46/18/494064618.db2.gz	JOELZSLQCJGSCQ-UHFFFAOYSA-N	-1	0	352.843	3.117	40	0		FGABRM
O=C([O-])C1=Nc2nc(SCc3ccccc3)nn2[C@H](c2ccco2)C1	ZINC000102336009	495130831	/nfs/dbraw/zinc/13/08/31/495130831.db2.gz	NJQRUIHIVDLXOD-ZDUSSCGKSA-N	-1	0	354.391	3.147	40	0		FGABRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cccnc2)cc1	ZINC000120164822	495319763	/nfs/dbraw/zinc/31/97/63/495319763.db2.gz	IFWXGKFYYAFWPS-UHFFFAOYSA-N	-1	0	367.430	3.443	40	0		FGABRM
O=C([O-])CN(Cc1ccc(F)cc1)C(=O)c1ccccc1Br	ZINC000225318347	497060241	/nfs/dbraw/zinc/06/02/41/497060241.db2.gz	PWOKTROQCRTUHP-UHFFFAOYSA-N	-1	0	366.186	3.315	40	0		FGABRM
Cc1nc([N-]S(C)(=O)=O)sc1C(=O)Nc1cccc2ccccc21	ZINC000225877543	497078035	/nfs/dbraw/zinc/07/80/35/497078035.db2.gz	GYUVCQIAMGKNCX-UHFFFAOYSA-N	-1	0	361.448	3.229	40	0		FGABRM
Cc1nc2ccc(C)cn2c1C(=O)Nc1cccc(-c2nc(C)cc(=O)[nH]2)c1	ZINC000226096367	497080881	/nfs/dbraw/zinc/08/08/81/497080881.db2.gz	ABAVHMPZESEYDG-UHFFFAOYSA-N	-1	0	373.416	3.262	40	0		FGABRM
C[N@H+](Cc1ccc(C(=O)[O-])cc1)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O	ZINC000257304477	497401195	/nfs/dbraw/zinc/40/11/95/497401195.db2.gz	SLVXEKPJBMXBFI-AABGKKOBSA-N	-1	0	355.434	3.178	40	0		FGABRM
COc1ccc(C)cc1NC1NC(=O)/C(=C/c2ccc(C(=O)[O-])cc2)S1	ZINC000408805620	499595240	/nfs/dbraw/zinc/59/52/40/499595240.db2.gz	HJFQOUPRSQMKBS-UHFFFAOYSA-N	-1	0	369.422	3.465	40	0		FGABRM
CCCCC[C@@](C)(O)/C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000090428114	520296766	/nfs/dbraw/zinc/29/67/66/520296766.db2.gz	DLJKPYFALUEJCK-KCFJMHNOSA-N	-1	0	368.514	3.433	40	0		FGABRM
CCCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1ccccc1	ZINC000217471158	520698794	/nfs/dbraw/zinc/69/87/94/520698794.db2.gz	QWABDFBMKULOHP-UHFFFAOYSA-N	-1	0	362.451	3.075	40	0		FGABRM
O=C([O-])/C=C/c1cc(Br)cc(I)c1	ZINC000083324712	527544657	/nfs/dbraw/zinc/54/46/57/527544657.db2.gz	PXCAVGKRICUPQJ-OWOJBTEDSA-N	-1	0	352.953	3.152	40	0		FGABRM
COc1ccc(C(=O)[C@H](C)[C@H](C)OC(=O)c2ccccc2C(=O)[O-])cc1	ZINC000001700414	204017597	/nfs/dbraw/zinc/01/75/97/204017597.db2.gz	SHIFCBQBXCFKMB-OLZOCXBDSA-N	-1	0	356.374	3.458	40	0		FGABRM
CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2Br)[C@H](C(=O)[O-])C1	ZINC000004241605	204128307	/nfs/dbraw/zinc/12/83/07/204128307.db2.gz	CURUUULGBKMLMR-NWDGAFQWSA-N	-1	0	370.243	3.484	40	0		FGABRM
COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H](C(=O)[O-])N1C(C)=O	ZINC000005378163	204207523	/nfs/dbraw/zinc/20/75/23/204207523.db2.gz	FBUGOKAFLIOBAK-YLJYHZDGSA-N	-1	0	364.401	3.124	40	0		FGABRM
CC(C)[C@@H](N[C@@H]1CC(c2ccc(Oc3ccccc3)cc2)=NN1)C(=O)[O-]	ZINC000005560073	204214452	/nfs/dbraw/zinc/21/44/52/204214452.db2.gz	UZKYYNQEEOZFSO-RBUKOAKNSA-N	-1	0	353.422	3.201	40	0		FGABRM
C[C@@H](CSC(=O)c1ccccc1)C(=O)N1c2ccccc2C[C@H]1C(=O)[O-]	ZINC000008652534	204338057	/nfs/dbraw/zinc/33/80/57/204338057.db2.gz	YTQUHORAJYMUKY-GUYCJALGSA-N	-1	0	369.442	3.239	40	0		FGABRM
Cc1ccc(-n2nnnc2C=CNc2ccc(C(=O)[O-])c(Cl)c2)cc1	ZINC000101000915	205951394	/nfs/dbraw/zinc/95/13/94/205951394.db2.gz	FHVOTLGYVZVLRE-HJWRWDBZSA-N	-1	0	355.785	3.405	40	0		FGABRM
Cc1ccc(N[C@@H]2CC(=O)N(c3cc(C(=O)[O-])ccc3C)C2=O)cc1C	ZINC000101275005	205955388	/nfs/dbraw/zinc/95/53/88/205955388.db2.gz	UIVRDTYAUDVRIZ-MRXNPFEDSA-N	-1	0	352.390	3.054	40	0		FGABRM
O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccco3)[C@@H]2C(=O)N1c1ccccc1	ZINC000137809431	206135047	/nfs/dbraw/zinc/13/50/47/206135047.db2.gz	NRGSUXPIXSRJFZ-FHWLQOOXSA-N	-1	0	360.369	3.331	40	0		FGABRM
CC(C)=C1[C@@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)C(=O)[C@@H]21	ZINC000169684001	206255290	/nfs/dbraw/zinc/25/52/90/206255290.db2.gz	MUMUGSSTSUBRAT-OJXGSEEGSA-N	-1	0	357.793	3.296	40	0		FGABRM
O=C([O-])/C=C/c1cccc(I)c1Br	ZINC000169797134	206268368	/nfs/dbraw/zinc/26/83/68/206268368.db2.gz	OQBVNPUSNRACFO-SNAWJCMRSA-N	-1	0	352.953	3.152	40	0		FGABRM
CC[C@H](C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)NC1CCCCC1	ZINC000217447090	206362588	/nfs/dbraw/zinc/36/25/88/206362588.db2.gz	WVGDIZFEUDULDK-LBPRGKRZSA-N	-1	0	354.472	3.206	40	0		FGABRM
COc1cc(C)c(S(=O)(=O)[N-]c2nnc(SC(C)C)s2)c(C)c1	ZINC000223263375	206435963	/nfs/dbraw/zinc/43/59/63/206435963.db2.gz	WKPUKLPHRPGERD-UHFFFAOYSA-N	-1	0	373.525	3.465	40	0		FGABRM
CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)[O-])C1=O	ZINC000409141252	263533634	/nfs/dbraw/zinc/53/36/34/263533634.db2.gz	HJSFVZOATQPBPY-OQLLNIDSSA-N	-1	0	357.387	3.359	40	0		FGABRM
C=CCOc1ccc(/C=C(\Sc2nnc(CC)o2)C(=O)[O-])cc1OC	ZINC000007342677	494016515	/nfs/dbraw/zinc/01/65/15/494016515.db2.gz	MQDHZOLIFOUIHX-UVTDQMKNSA-N	-1	0	362.407	3.423	40	0		FGABRM
O=C([O-])CCC[C@H](O)/C=C/C=C/C=C/[C@H](O)C/C=C/CCCCCO	ZINC000033838784	494063266	/nfs/dbraw/zinc/06/32/66/494063266.db2.gz	PTJFJXLGRSTECQ-SMUFKLTMSA-N	-1	0	352.471	3.131	40	0	in-vitro	FGABRM
O=C([O-])/C=C/c1ccc2c(c1)OCCSCCOCCSCCO2	ZINC000034574078	494066574	/nfs/dbraw/zinc/06/65/74/494066574.db2.gz	BAUDHLFWFDIOMZ-DUXPYHPUSA-N	-1	0	370.492	3.039	40	0		FGABRM
CCOc1cc(/C=N/NCc2ccccc2Cl)ccc1OCC(=O)[O-]	ZINC000008811895	494106619	/nfs/dbraw/zinc/10/66/19/494106619.db2.gz	BCGJAFPEXSHVQH-KEBDBYFISA-N	-1	0	362.813	3.326	40	0		FGABRM
COc1ccc(Cl)cc1NC(=O)c1cccc(NC(=O)/C=C\C(=O)[O-])c1	ZINC000038784979	494117794	/nfs/dbraw/zinc/11/77/94/494117794.db2.gz	XJAFYGJNFRVFPJ-FPLPWBNLSA-N	-1	0	374.780	3.180	40	0		FGABRM
Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000038986587	494120277	/nfs/dbraw/zinc/12/02/77/494120277.db2.gz	LPWKGQWKIRKHPH-GOSISDBHSA-N	-1	0	352.390	3.398	40	0		FGABRM
Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2cccc([N-]c3nncs3)n2)o1	ZINC000072375375	494159549	/nfs/dbraw/zinc/15/95/49/494159549.db2.gz	FDMVJMCFYIUETB-CYBMUJFWSA-N	-1	0	370.438	3.259	40	0		FGABRM
CCn1c2ccccc2nc1SCC(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC000013241944	494282528	/nfs/dbraw/zinc/28/25/28/494282528.db2.gz	PJDSVTSOSCYLLN-UHFFFAOYSA-N	-1	0	369.446	3.414	40	0		FGABRM
O=C([O-])[C@@H]1[C@@H]2C=C[C@@H]([C@@H]3C[C@@H]32)[C@@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2	ZINC000013577064	494289580	/nfs/dbraw/zinc/28/95/80/494289580.db2.gz	NXTNRLNDDVTLMM-LLYIGVSRSA-N	-1	0	355.478	3.088	40	0		FGABRM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NCC(C)C)c1	ZINC000023717698	494577071	/nfs/dbraw/zinc/57/70/71/494577071.db2.gz	NHFXHTAVMJEART-UHFFFAOYSA-N	-1	0	360.479	3.490	40	0		FGABRM
C[C@H]1Nc2ccccc2S[C@H]1C(=O)c1c([O-])c2ccccc2n(C)c1=O	ZINC000102756059	495159609	/nfs/dbraw/zinc/15/96/09/495159609.db2.gz	ZVNNXCHXWPWQJU-NSPYISDASA-N	-1	0	366.442	3.402	40	0		FGABRM
CC(C)[C@H](NC(=O)c1nn(CC2CCCCC2)c2ccccc21)C(=O)[O-]	ZINC000140163857	495490243	/nfs/dbraw/zinc/49/02/43/495490243.db2.gz	FWDOPMKLKXLVEL-KRWDZBQOSA-N	-1	0	357.454	3.456	40	0	in-vitro	FGABRM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3sncc3c2)c1	ZINC000222976094	497029932	/nfs/dbraw/zinc/02/99/32/497029932.db2.gz	XGJAZYNKIZZWPG-UHFFFAOYSA-N	-1	0	350.421	3.114	40	0		FGABRM
CCSc1nnc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)s1	ZINC000223493286	497037509	/nfs/dbraw/zinc/03/75/09/497037509.db2.gz	WRLPLTJLJKZRGH-UHFFFAOYSA-N	-1	0	359.498	3.076	40	0		FGABRM
O=C([O-])CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1cccs1	ZINC000225129383	497057308	/nfs/dbraw/zinc/05/73/08/497057308.db2.gz	UYPKEUFPJITHKZ-UHFFFAOYSA-N	-1	0	366.247	3.335	40	0		FGABRM
CC(=O)N1CCC(c2nc(C)cc(-c3cc(F)ccc3C(=O)[O-])n2)CC1	ZINC000257252058	497395241	/nfs/dbraw/zinc/39/52/41/497395241.db2.gz	JTJOJLRLXMXJRL-UHFFFAOYSA-N	-1	0	357.385	3.015	40	0		FGABRM
O=C([O-])c1ccccc1-n1cc(CN2CCCC[C@H]2c2ccncn2)cn1	ZINC000257289345	497399138	/nfs/dbraw/zinc/39/91/38/497399138.db2.gz	PYFQCUTWQMSBLM-IBGZPJMESA-N	-1	0	363.421	3.088	40	0		FGABRM
O=C([O-])COc1cccc(/C=C2\SC(Nc3ccccc3F)NC2=O)c1	ZINC000408811064	499595195	/nfs/dbraw/zinc/59/51/95/499595195.db2.gz	NIYICDWZRSXSOU-UHFFFAOYSA-N	-1	0	373.385	3.052	40	0		FGABRM
CN(CCc1ccccc1)c1ncc(C(=O)[O-])c(COc2ccccc2)n1	ZINC000585265115	507581650	/nfs/dbraw/zinc/58/16/50/507581650.db2.gz	HBLSWBRKKBQUBN-UHFFFAOYSA-N	-1	0	363.417	3.433	40	0		FGABRM
CCCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NC1CCCC1	ZINC000217514965	520225692	/nfs/dbraw/zinc/22/56/92/520225692.db2.gz	OJBZVBOXSUVTOK-UHFFFAOYSA-N	-1	0	354.472	3.208	40	0		FGABRM
O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCc1ccco1	ZINC000217638547	526355887	/nfs/dbraw/zinc/35/58/87/526355887.db2.gz	VKOUNHAGFZFYNU-UHFFFAOYSA-N	-1	0	372.402	3.391	40	0		FGABRM
CCn1c2cc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)cc2oc1=O	ZINC000223361275	568645302	/nfs/dbraw/zinc/64/53/02/568645302.db2.gz	UEBAZVNQJOXPIE-UHFFFAOYSA-N	-1	0	366.826	3.377	40	0		FGABRM
O=C([O-])c1c(OC2CC2)cnc2cc(I)ccc21	ZINC000685936945	571318921	/nfs/dbraw/zinc/31/89/21/571318921.db2.gz	GGKJBECYODTLRB-UHFFFAOYSA-N	-1	0	355.131	3.079	40	0		FGABRM
CC[C@@]1(C(=O)c2ccc(C)cc2)[C@@H]2c3ccccc3OC(=O)[C@@]21C(=O)[O-]	ZINC000000544390	219304539	/nfs/dbraw/zinc/30/45/39/219304539.db2.gz	NWAUTRNQWRTMTN-NDXORKPFSA-N	-1	0	350.370	3.362	40	0		FGABRM
CC(C)[C@H](N[C@@H]1CC(c2ccc(Oc3ccccc3)cc2)=NN1)C(=O)[O-]	ZINC000005559502	204215171	/nfs/dbraw/zinc/21/51/71/204215171.db2.gz	UZKYYNQEEOZFSO-OALUTQOASA-N	-1	0	353.422	3.201	40	0		FGABRM
Cc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c(Br)c1	ZINC000004902339	204174529	/nfs/dbraw/zinc/17/45/29/204174529.db2.gz	DJNCYVJSNFIMKE-QOBDMFJFSA-N	-1	0	350.212	3.219	40	0		FGABRM
COc1ccc(C(=O)C[C@@H](C(=O)[O-])c2ccc(OC)c(OC)c2)cc1OC	ZINC000006411716	204246642	/nfs/dbraw/zinc/24/66/42/204246642.db2.gz	CEBYSBHYFIMQJX-CQSZACIVSA-N	-1	0	374.389	3.162	40	0		FGABRM
CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2c(C)noc2C)cc1	ZINC000007055315	204288691	/nfs/dbraw/zinc/28/86/91/204288691.db2.gz	HKLKAOALLGMZKU-UHFFFAOYSA-N	-1	0	352.412	3.049	40	0		FGABRM
C[C@@H](C(=O)[O-])n1ccc2c(cnc3c(-c4ccc(Cl)cc4)cnn32)c1=O	ZINC000040397305	205068778	/nfs/dbraw/zinc/06/87/78/205068778.db2.gz	PSHDTQSVMONRMZ-JTQLQIEISA-N	-1	0	368.780	3.010	40	0		FGABRM
CC(C)C(=O)N1CCC[C@](Cc2cc(-c3ccccc3)no2)(C(=O)[O-])C1	ZINC000072395048	205527523	/nfs/dbraw/zinc/52/75/23/205527523.db2.gz	PUHGXWDUJNCTSE-HXUWFJFHSA-N	-1	0	356.422	3.234	40	0		FGABRM
CCOC(=O)c1cccc(NC(=O)N2CC[C@@H](CC(=O)[O-])[C@@H](CC)C2)c1	ZINC000005414933	206195894	/nfs/dbraw/zinc/19/58/94/206195894.db2.gz	LMSBKHYRDVVDAG-KBPBESRZSA-N	-1	0	362.426	3.218	40	0	biogenic,in-vitro	FGABRM
O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(Br)cc1F	ZINC000219628958	206387991	/nfs/dbraw/zinc/38/79/91/206387991.db2.gz	RFSAWFLJOSTZGY-HYRRULHTSA-N	-1	0	354.175	3.050	40	0		FGABRM
CCCNc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C(=O)[O-]	ZINC000217607288	206364955	/nfs/dbraw/zinc/36/49/55/206364955.db2.gz	VWUBZMGPLRQTEC-CYBMUJFWSA-N	-1	0	362.451	3.246	40	0		FGABRM
CC(C)n1cnc2cc(C(=O)N(CC(=O)[O-])Cc3cccc(F)c3)ccc21	ZINC000257236027	206604985	/nfs/dbraw/zinc/60/49/85/206604985.db2.gz	HANOQRRPXXOBLO-UHFFFAOYSA-N	-1	0	369.396	3.483	40	0		FGABRM
COc1ccc(Br)cc1NC(=O)c1ccccc1C(=O)[O-]	ZINC000006145870	493953531	/nfs/dbraw/zinc/95/35/31/493953531.db2.gz	XVHSLDYLHUQHJJ-UHFFFAOYSA-N	-1	0	350.168	3.408	40	0		FGABRM
COc1cc(CNc2cccc(C(=O)[O-])c2)cc(Br)c1O	ZINC000037301394	494103120	/nfs/dbraw/zinc/10/31/20/494103120.db2.gz	KYDFDWQESBVJMQ-UHFFFAOYSA-N	-1	0	352.184	3.474	40	0		FGABRM
COc1ccc(-c2nc(NC(=O)C(C)C)sc2CC(=O)[O-])cc1OC	ZINC000085397411	494120558	/nfs/dbraw/zinc/12/05/58/494120558.db2.gz	SMVSHUCKRDVZPL-UHFFFAOYSA-N	-1	0	364.423	3.049	40	0		FGABRM
Cc1cc2cccc([N-]S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)c2o1	ZINC000012117111	494205969	/nfs/dbraw/zinc/20/59/69/494205969.db2.gz	BKDQZBBSJPFWSX-UHFFFAOYSA-N	-1	0	356.403	3.427	40	0		FGABRM
COc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1Br	ZINC000013259740	494283751	/nfs/dbraw/zinc/28/37/51/494283751.db2.gz	HRHSZKPEOAHGRK-UHFFFAOYSA-N	-1	0	350.168	3.408	40	0		FGABRM
COCc1cccc([N-]S(=O)(=O)c2ccc(Br)s2)c1	ZINC000026547330	494831681	/nfs/dbraw/zinc/83/16/81/494831681.db2.gz	XLGSDEHZZWIBND-UHFFFAOYSA-N	-1	0	362.270	3.458	40	0		FGABRM
COc1ccc(-n2nnnc2C=CNc2cc(Cl)ccc2C(=O)[O-])cc1	ZINC000101004023	495066902	/nfs/dbraw/zinc/06/69/02/495066902.db2.gz	JOPRCHFYYGMELR-CMDGGOBGSA-N	-1	0	371.784	3.105	40	0		FGABRM
Cc1cccc(N[C@@H]2CC(=O)N(c3cc(C(=O)[O-])ccc3C)C2=O)c1C	ZINC000101275001	495068145	/nfs/dbraw/zinc/06/81/45/495068145.db2.gz	PVJLIANVYVUPTQ-MRXNPFEDSA-N	-1	0	352.390	3.054	40	0		FGABRM
CC(C)c1nc(/C=C/c2ccc3c(c2)CCC(=O)N3C)ncc1C(=O)[O-]	ZINC000187642017	496518849	/nfs/dbraw/zinc/51/88/49/496518849.db2.gz	TUOSGZBZQBIHMB-VMPITWQZSA-N	-1	0	351.406	3.378	40	0		FGABRM
O=C([O-])[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)N1CCOCC1	ZINC000225151333	497057445	/nfs/dbraw/zinc/05/74/45/497057445.db2.gz	NZTBSTIEXCGICO-KRWDZBQOSA-N	-1	0	361.825	3.460	40	0		FGABRM
CN([C@@H](Cc1cccc2ccccc21)C(=O)[O-])S(=O)(=O)c1ccccc1	ZINC000225157724	497057649	/nfs/dbraw/zinc/05/76/49/497057649.db2.gz	YZKNUAGFCJQVFH-IBGZPJMESA-N	-1	0	369.442	3.156	40	0		FGABRM
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](C(=O)[O-])[C@@H]2c2cccc(Cl)c2)cc1	ZINC000225654778	497070671	/nfs/dbraw/zinc/07/06/71/497070671.db2.gz	WNJINEPEOLFLIC-JYJNAYRXSA-N	-1	0	350.823	3.289	40	0		FGABRM
O=C([O-])[C@@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1	ZINC000242687283	497355659	/nfs/dbraw/zinc/35/56/59/497355659.db2.gz	UDRJSCLXUBYWKD-LZQZEXGQSA-N	-1	0	351.402	3.231	40	0		FGABRM
Cc1cc(C)nc([N-]c2nccnc2[C@H]2CCCN2Cc2cncs2)n1	ZINC000257245680	497395335	/nfs/dbraw/zinc/39/53/35/497395335.db2.gz	IQPABYVMEONPRR-OAHLLOKOSA-N	-1	0	367.482	3.421	40	0		FGABRM
CCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1NC(=O)CC	ZINC000408698300	499593911	/nfs/dbraw/zinc/59/39/11/499593911.db2.gz	OXMUNNMUKJMHHA-UHFFFAOYSA-N	-1	0	366.414	3.374	40	0		FGABRM
CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(F)cc3)c(Cl)cc21	ZINC000223362579	568645557	/nfs/dbraw/zinc/64/55/57/568645557.db2.gz	XVBMEKMSCHHYRR-UHFFFAOYSA-N	-1	0	370.789	3.208	40	0		FGABRM
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)[C@H]2C=C[C@@H]1O2	ZINC000004019428	204118672	/nfs/dbraw/zinc/11/86/72/204118672.db2.gz	ZGFLPXBNBVLCET-OWSLCNJRSA-N	-1	0	351.358	3.072	40	0		FGABRM
COc1ccc(OC)c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)[O-])c1	ZINC000005631502	204218011	/nfs/dbraw/zinc/21/80/11/204218011.db2.gz	VXFWUBASHMOLJV-OBQMCUGOSA-N	-1	0	359.422	3.336	40	0		FGABRM
CCCCC[C@@H](O)/C=C/C=C\C=C\C=C\[C@@H](O)[C@H](O)CCCC(=O)[O-]	ZINC000045789140	205125351	/nfs/dbraw/zinc/12/53/51/205125351.db2.gz	IXAQOQZEOGMIQS-BZIKWXEGSA-N	-1	0	352.471	3.129	40	0	endogenous,in-man	FGABRM
O=C([O-])[C@@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1	ZINC000049466863	205172602	/nfs/dbraw/zinc/17/26/02/205172602.db2.gz	UDRJSCLXUBYWKD-IPELMVKDSA-N	-1	0	351.402	3.231	40	0		FGABRM
COc1ccccc1OCc1ncc(C(=O)[O-])c(NCc2ccccc2)n1	ZINC000049469880	205172963	/nfs/dbraw/zinc/17/29/63/205172963.db2.gz	HVTCKZOEZUEBBD-UHFFFAOYSA-N	-1	0	365.389	3.375	40	0		FGABRM
Cc1c(Cl)cccc1N(CC(=O)[O-])S(=O)(=O)c1ccc(F)cc1	ZINC000113896324	206093400	/nfs/dbraw/zinc/09/34/00/206093400.db2.gz	CQBZILNNQAWZQB-UHFFFAOYSA-N	-1	0	357.790	3.067	40	0		FGABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1ccc(Br)cc1F	ZINC000001217373	206226515	/nfs/dbraw/zinc/22/65/15/206226515.db2.gz	RFSAWFLJOSTZGY-HTEOGMQZSA-N	-1	0	354.175	3.050	40	0		FGABRM
Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)Cc1ccc(Cl)cc1	ZINC000005897321	206240595	/nfs/dbraw/zinc/24/05/95/206240595.db2.gz	ICCJHHPHYPRULC-UHFFFAOYSA-N	-1	0	362.838	3.402	40	0		FGABRM
CC(C)CCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NC1CCCC1	ZINC000217446115	206362846	/nfs/dbraw/zinc/36/28/46/206362846.db2.gz	BXGCSVMQFUFGGS-UHFFFAOYSA-N	-1	0	354.472	3.064	40	0		FGABRM
CCCOc1ccccc1/C=C/C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000062715095	494021446	/nfs/dbraw/zinc/02/14/46/494021446.db2.gz	WWWSENWUXPWKBH-HHNLSAEISA-N	-1	0	353.418	3.301	40	0		FGABRM
CCc1nnc(S/C(=C\c2ccc(O)c(Br)c2)C(=O)[O-])o1	ZINC000007508219	494026792	/nfs/dbraw/zinc/02/67/92/494026792.db2.gz	SBNZMBPAEDLICE-POHAHGRESA-N	-1	0	371.212	3.318	40	0		FGABRM
CCOC(=O)C1=NN(c2ccc(Oc3ccccc3)cc2)[C@@](C)(C(=O)[O-])C1	ZINC000071979623	494113441	/nfs/dbraw/zinc/11/34/41/494113441.db2.gz	XEKZGRNUWOMIPI-HXUWFJFHSA-N	-1	0	368.389	3.451	40	0		FGABRM
CC1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc(Cl)cc1F	ZINC000071979951	494114451	/nfs/dbraw/zinc/11/44/51/494114451.db2.gz	IZMDRYQFRSDECR-FBUIMKQZSA-N	-1	0	355.793	3.311	40	0		FGABRM
CCOc1ccc(/C=C/C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1OC	ZINC000013438768	494287365	/nfs/dbraw/zinc/28/73/65/494287365.db2.gz	CXHXHDMPOKAQLM-YRNVUSSQSA-N	-1	0	355.390	3.373	40	0		FGABRM
CCc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000020061330	494466588	/nfs/dbraw/zinc/46/65/88/494466588.db2.gz	UFMJMBNTNDTSJQ-UHFFFAOYSA-N	-1	0	353.827	3.182	40	0		FGABRM
CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])c(O)c2)c1	ZINC000020152742	494468787	/nfs/dbraw/zinc/46/87/87/494468787.db2.gz	XZXKMQCIBGTPHG-UHFFFAOYSA-N	-1	0	374.418	3.004	40	0		FGABRM
O=C([O-])C1=C(Br)[C@H]2O[C@@H]1c1c2cccc1OC(F)(F)F	ZINC000095611604	494989439	/nfs/dbraw/zinc/98/94/39/494989439.db2.gz	KVAFEJFUTWPHSB-VHSXEESVSA-N	-1	0	351.074	3.445	40	0		FGABRM
CSc1nnc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)s1	ZINC000222750446	497027285	/nfs/dbraw/zinc/02/72/85/497027285.db2.gz	SSOWCEKGBCAPEP-UHFFFAOYSA-N	-1	0	356.281	3.368	40	0		FGABRM
CC(C)CSc1nnc([N-]S(=O)(=O)Cc2ccccc2F)s1	ZINC000225881707	497078467	/nfs/dbraw/zinc/07/84/67/497078467.db2.gz	ADSUCUVJQXRCHM-UHFFFAOYSA-N	-1	0	361.489	3.367	40	0		FGABRM
CCOCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000226811642	497085622	/nfs/dbraw/zinc/08/56/22/497085622.db2.gz	UIRSFOWYRSFCMQ-IBGZPJMESA-N	-1	0	369.417	3.405	40	0		FGABRM
O=C([O-])[C@H]1[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1	ZINC000242548877	497354754	/nfs/dbraw/zinc/35/47/54/497354754.db2.gz	LYIFPDMBKRPOME-RBSFLKMASA-N	-1	0	354.786	3.120	40	0		FGABRM
CCCN(CCC)c1nn(-c2ccc(Br)cc2)nc1C(=O)[O-]	ZINC000256045929	497383004	/nfs/dbraw/zinc/38/30/04/497383004.db2.gz	BTLZDSTXBSPWAA-UHFFFAOYSA-N	-1	0	367.247	3.354	40	0		FGABRM
O=C([O-])c1ccc(Cn2cc(C=C3SC(=O)NC3=O)c3ccccc32)o1	ZINC000408544480	499591870	/nfs/dbraw/zinc/59/18/70/499591870.db2.gz	UCBWMQYYSNHMND-VIZOYTHASA-N	-1	0	368.370	3.305	40	0		FGABRM
CCCNc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C(=O)[O-]	ZINC000217584572	520166818	/nfs/dbraw/zinc/16/68/18/520166818.db2.gz	FQCDXZGUHFZVOX-UHFFFAOYSA-N	-1	0	366.483	3.376	40	0		FGABRM
CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1NCc1ccccc1	ZINC000217428840	522230534	/nfs/dbraw/zinc/23/05/34/522230534.db2.gz	LRVSZQSEFAFICH-CYBMUJFWSA-N	-1	0	362.451	3.074	40	0		FGABRM
COc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1F	ZINC000037575710	524698150	/nfs/dbraw/zinc/69/81/50/524698150.db2.gz	SPANHTMMOCGQPG-UHFFFAOYSA-N	-1	0	360.204	3.398	40	0		FGABRM
CC(C)(C)CC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](Cc2nc3ccccc3[nH]2)C1	ZINC000514288569	560034504	/nfs/dbraw/zinc/03/45/04/560034504.db2.gz	CQPINXFYOGZFDW-GJZGRUSLSA-N	-1	0	371.481	3.481	40	0	biogenic,in-vitro	FGABRM
O=C([O-])CN1C(=O)S/C(=C/c2cccn2-c2ccc(Cl)cc2)C1=O	ZINC000409139752	570731495	/nfs/dbraw/zinc/73/14/95/570731495.db2.gz	BVPJHDCFKOUCPN-MDWZMJQESA-N	-1	0	362.794	3.252	40	0		FGABRM
CCCN1C(=O)N/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C1=O	ZINC000409237139	570743053	/nfs/dbraw/zinc/74/30/53/570743053.db2.gz	JLDUXYBXRMJVQZ-XNTDXEJSSA-N	-1	0	354.362	3.256	40	0		FGABRM
CCCCC[C@H](O)/C=C/[C@H]1[C@@H](O)CC(=O)[C@H]1CCCCCCC(=O)[O-]	ZINC000027639683	204867454	/nfs/dbraw/zinc/86/74/54/204867454.db2.gz	GMVPRGQOIOIIMI-OQRPAABYSA-N	-1	0	354.487	3.475	40	0	in-vitro	FGABRM
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(C(=O)[O-])cc1O2	ZINC000044137762	205107715	/nfs/dbraw/zinc/10/77/15/205107715.db2.gz	PHKCUIOZQOFQIL-UHFFFAOYSA-N	-1	0	361.394	3.120	40	0		FGABRM
Cc1sc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2O3)nc1-c1ccc(C)cc1	ZINC000017076258	206321774	/nfs/dbraw/zinc/32/17/74/206321774.db2.gz	HXFJUGYORBSKGD-YJNKXOJESA-N	-1	0	372.446	3.244	40	0		FGABRM
CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1N[C@@H](C)CCC	ZINC000217528025	206363729	/nfs/dbraw/zinc/36/37/29/206363729.db2.gz	BCOHTTAQJCIMTE-QWHCGFSZSA-N	-1	0	356.488	3.452	40	0		FGABRM
CCC[C@@H](C)Nc1ccc(S(=O)(=O)NCCC(C)C)cc1C(=O)[O-]	ZINC000217655049	206364549	/nfs/dbraw/zinc/36/45/49/206364549.db2.gz	VFDNEPXZYHYBRQ-CYBMUJFWSA-N	-1	0	356.488	3.310	40	0		FGABRM
O=C([O-])COc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1	ZINC000033790489	263397174	/nfs/dbraw/zinc/39/71/74/263397174.db2.gz	BFCKLUAOGMQKNQ-GDNBJRDFSA-N	-1	0	355.371	3.391	40	0		FGABRM
COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(C)C)ccc2OC)cc1	ZINC000408701158	263485518	/nfs/dbraw/zinc/48/55/18/263485518.db2.gz	SJZLSVYATOAWGY-UHFFFAOYSA-N	-1	0	363.435	3.406	40	0		FGABRM
CC(=O)OC1=C(c2ccccc2)[C@H](c2ccccc2)C[C@@H]1OS(=O)(=O)[O-]	ZINC000001718655	493798157	/nfs/dbraw/zinc/79/81/57/493798157.db2.gz	KNVCUBUQYJGRIN-IRXDYDNUSA-N	-1	0	374.414	3.336	40	0		FGABRM
Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2)CC1=O	ZINC000007928113	494053524	/nfs/dbraw/zinc/05/35/24/494053524.db2.gz	VFCUIQZYTHFTHZ-CYBMUJFWSA-N	-1	0	372.808	3.338	40	0		FGABRM
O=C([O-])[C@@H]1CS[C@@H](c2cn(-c3ccccc3)nc2-c2cccs2)N1	ZINC000071195258	494089328	/nfs/dbraw/zinc/08/93/28/494089328.db2.gz	UKHOHSZEGIFSEH-BBRMVZONSA-N	-1	0	357.460	3.389	40	0		FGABRM
Cc1c(Cl)cccc1NC(=O)c1ccccc1NC(=O)/C=C\C(=O)[O-]	ZINC000038784941	494117619	/nfs/dbraw/zinc/11/76/19/494117619.db2.gz	SWBVELCIDLZPJU-KTKRTIGZSA-N	-1	0	358.781	3.480	40	0		FGABRM
Cc1ccc(Cl)cc1NC(=O)c1cccc(NC(=O)/C=C\C(=O)[O-])c1	ZINC000038784943	494117838	/nfs/dbraw/zinc/11/78/38/494117838.db2.gz	GNOAZDOUSBIEPO-FPLPWBNLSA-N	-1	0	358.781	3.480	40	0		FGABRM
O=C(C1CCCCC1)N1CCC[C@@H](c2ccnc([N-]c3ncccn3)n2)C1	ZINC000072377676	494160082	/nfs/dbraw/zinc/16/00/82/494160082.db2.gz	MHERPYNAQQWRAB-MRXNPFEDSA-N	-1	0	366.469	3.297	40	0		FGABRM
O=C(Nc1ccccc1)c1nn(-c2ccc(-c3ccccc3)cc2)c(=O)[n-]1	ZINC000015444168	494354859	/nfs/dbraw/zinc/35/48/59/494354859.db2.gz	KSZHVJHDRAJETO-UHFFFAOYSA-N	-1	0	356.385	3.480	40	0		FGABRM
Cc1ccc(C)c(N[C@H]2CC(=O)N(c3cc(C(=O)[O-])ccc3C)C2=O)c1	ZINC000016901132	494403650	/nfs/dbraw/zinc/40/36/50/494403650.db2.gz	KUKUIZBIXJQBBS-INIZCTEOSA-N	-1	0	352.390	3.054	40	0		FGABRM
O=C([O-])c1ccc(CNC(=S)NC(=O)c2ccc3ccccc3c2)cc1	ZINC000020152250	494468372	/nfs/dbraw/zinc/46/83/72/494468372.db2.gz	WUMCIBFEIBEZNL-UHFFFAOYSA-N	-1	0	364.426	3.343	40	0		FGABRM
O=C([O-])c1ccc(CNC2(Cc3cc(-c4ccccc4)on3)COC2)cc1	ZINC000067898008	494687368	/nfs/dbraw/zinc/68/73/68/494687368.db2.gz	HHYQTBMOXLCYKZ-UHFFFAOYSA-N	-1	0	364.401	3.141	40	0	biogenic,in-vitro	FGABRM
O=C([O-])CN(c1cccc(F)c1)S(=O)(=O)c1ccc2ccccc2c1	ZINC000225057643	497056116	/nfs/dbraw/zinc/05/61/16/497056116.db2.gz	IWGVIPCQYZPMMG-UHFFFAOYSA-N	-1	0	359.378	3.259	40	0		FGABRM
O=C([O-])[C@H]1[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)[C@H]2C=C[C@@H]1O2	ZINC000226264739	497082030	/nfs/dbraw/zinc/08/20/30/497082030.db2.gz	ZGFLPXBNBVLCET-VSZNYVQBSA-N	-1	0	351.358	3.072	40	0		FGABRM
CC(C)(C)C(=O)N1CC[C@H](Cc2cnc(-c3ccc(C(=O)[O-])cc3)cn2)C1	ZINC000257205516	497390516	/nfs/dbraw/zinc/39/05/16/497390516.db2.gz	AZLORPZYKLCMMH-CQSZACIVSA-N	-1	0	367.449	3.279	40	0		FGABRM
O=C([O-])c1ccc(CSc2nnc(COc3ccccc3F)o2)o1	ZINC000408554975	499592242	/nfs/dbraw/zinc/59/22/42/499592242.db2.gz	WANGGLZEIBXEGW-UHFFFAOYSA-N	-1	0	350.327	3.371	40	0		FGABRM
CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1NCc1ccco1	ZINC000217525851	520665807	/nfs/dbraw/zinc/66/58/07/520665807.db2.gz	TYYZDIVYLHMESG-GFCCVEGCSA-N	-1	0	366.439	3.057	40	0		FGABRM
CCC[C@@H](C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)NC1CCCC1	ZINC000217446199	520669748	/nfs/dbraw/zinc/66/97/48/520669748.db2.gz	RKYLVFNRVICGHM-GFCCVEGCSA-N	-1	0	354.472	3.206	40	0		FGABRM
O=C([O-])c1cc(S(=O)(=O)NC2CCCC2)ccc1NCc1ccccc1	ZINC000217576079	526355389	/nfs/dbraw/zinc/35/53/89/526355389.db2.gz	SAFNHJCYCXRYSS-UHFFFAOYSA-N	-1	0	374.462	3.218	40	0		FGABRM
CC(C)(C)C(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](Cc2nc3ccccc3[nH]2)C1	ZINC000514289471	560032671	/nfs/dbraw/zinc/03/26/71/560032671.db2.gz	LTCIULAHFYIQFG-KBPBESRZSA-N	-1	0	357.454	3.091	40	0	biogenic,in-vitro	FGABRM
O=C([O-])C1(C[C@H]2CC(c3ccc(C(F)(F)F)cc3)=NO2)CCOCC1	ZINC000012226302	204444543	/nfs/dbraw/zinc/44/45/43/204444543.db2.gz	AFJKFGUZSSTOAQ-CYBMUJFWSA-N	-1	0	357.328	3.470	40	0		FGABRM
CCOc1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl	ZINC000038753470	205042028	/nfs/dbraw/zinc/04/20/28/205042028.db2.gz	KBURCDGOHGHYCK-UHFFFAOYSA-N	-1	0	368.842	3.363	40	0		FGABRM
Nc1ccc(Nc2ccc(I)cc2)c(C(=O)[O-])c1	ZINC000037930767	205035414	/nfs/dbraw/zinc/03/54/14/205035414.db2.gz	SERJJESPTVHXSZ-UHFFFAOYSA-N	-1	0	354.147	3.315	40	0		FGABRM
COc1ccc(-c2nnc([N-]S(=O)(=O)c3cccs3)s2)cc1	ZINC000135991541	206127620	/nfs/dbraw/zinc/12/76/20/206127620.db2.gz	NORKSKRWTCXAKY-UHFFFAOYSA-N	-1	0	353.450	3.076	40	0		FGABRM
Cc1ccc(OCC(=O)N2NC(C(C)C)=C[C@]2(O)C(F)(F)F)cc1C	ZINC000000793142	206132960	/nfs/dbraw/zinc/13/29/60/206132960.db2.gz	IZPFMGQULRKEEW-INIZCTEOSA-N	-1	0	358.360	3.177	40	0		FGABRM
Cc1ccc(OCC(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2C)c(C)c1	ZINC000005895450	206240753	/nfs/dbraw/zinc/24/07/53/206240753.db2.gz	ODBSRYFNZHOBNU-UHFFFAOYSA-N	-1	0	372.446	3.202	40	0		FGABRM
CC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1NC1CCCCC1	ZINC000217427847	206362308	/nfs/dbraw/zinc/36/23/08/206362308.db2.gz	YBNLDMISLXYBEJ-LBPRGKRZSA-N	-1	0	354.472	3.206	40	0		FGABRM
COc1cc(OC)cc(C(=O)Nc2cc(C(=O)[O-])cc(Cl)c2OC)c1	ZINC000020143291	220316410	/nfs/dbraw/zinc/31/64/10/220316410.db2.gz	IPZRFLFVDYECLO-UHFFFAOYSA-N	-1	0	365.769	3.316	40	0		FGABRM
O=Cc1cn(CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c2ccccc12	ZINC000409412394	263557582	/nfs/dbraw/zinc/55/75/82/263557582.db2.gz	VYVKTFAIRJQNGS-UHFFFAOYSA-N	-1	0	356.765	3.444	40	0		FGABRM
COc1cc2cccnc2c(N(C(C)=O)c2ccc(O)c(C(=O)[O-])c2)c1	ZINC000001717554	493797886	/nfs/dbraw/zinc/79/78/86/493797886.db2.gz	RWCDTVXBMLSVIX-UHFFFAOYSA-N	-1	0	352.346	3.332	40	0		FGABRM
CCCCC[C@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000003830200	493858037	/nfs/dbraw/zinc/85/80/37/493858037.db2.gz	GMVPRGQOIOIIMI-QUPGDWQGSA-N	-1	0	354.487	3.475	40	0	in-vitro	FGABRM
CCN(CC)c1ccc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])c(OC)c1	ZINC000006318307	493959440	/nfs/dbraw/zinc/95/94/40/493959440.db2.gz	MPEYOLUOJMJVRO-DHDCSXOGSA-N	-1	0	362.455	3.186	40	0		FGABRM
Cc1nnc(S/C(=C\c2cc(C)n(-c3cccnc3)c2C)C(=O)[O-])o1	ZINC000007365694	494018310	/nfs/dbraw/zinc/01/83/10/494018310.db2.gz	YFNOZSRUBNGALX-NVNXTCNLSA-N	-1	0	356.407	3.398	40	0		FGABRM
O=c1c2c([n-]n1-c1ccc(F)cc1)[nH]c(-c1ccccc1Cl)cc2=O	ZINC000008021148	494061802	/nfs/dbraw/zinc/06/18/02/494061802.db2.gz	UTKHMZLZPHFCRH-UHFFFAOYSA-N	-1	0	355.756	3.467	40	0		FGABRM
CC[C@H](C)Oc1c(Cl)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OC	ZINC000033707641	494062237	/nfs/dbraw/zinc/06/22/37/494062237.db2.gz	VNIWTYQFFXEHTA-QMMMGPOBSA-N	-1	0	352.774	3.116	40	0		FGABRM
CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000033838833	494063314	/nfs/dbraw/zinc/06/33/14/494063314.db2.gz	PXGPLTODNUVGFL-ONHUYGEDSA-N	-1	0	354.487	3.043	40	0	in-vitro	FGABRM
CCOc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(C2CCCC2)C1=O	ZINC000008477496	494092622	/nfs/dbraw/zinc/09/26/22/494092622.db2.gz	KXAPQOYICIJZCZ-UVTDQMKNSA-N	-1	0	362.813	3.143	40	0		FGABRM
O=C(C1CCCCC1)N1CCC[C@H](c2ccnc([N-]c3ncccn3)n2)C1	ZINC000072377677	494160067	/nfs/dbraw/zinc/16/00/67/494160067.db2.gz	MHERPYNAQQWRAB-INIZCTEOSA-N	-1	0	366.469	3.297	40	0		FGABRM
O=C([O-])C1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)CC1	ZINC000011566084	494181895	/nfs/dbraw/zinc/18/18/95/494181895.db2.gz	JUVJCPWQBXWXDX-UHFFFAOYSA-N	-1	0	372.657	3.132	40	0		FGABRM
O=C([O-])C[C@@H](NC(=O)Cc1ccccc1)c1cccc(Br)c1	ZINC000016698289	494399390	/nfs/dbraw/zinc/39/93/90/494399390.db2.gz	JYOOBMKOMJYPHP-OAHLLOKOSA-N	-1	0	362.223	3.324	40	0		FGABRM
Cc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(C(=O)[O-])c2)cc1C	ZINC000020152120	494469021	/nfs/dbraw/zinc/46/90/21/494469021.db2.gz	KFQMKNMXSDZQEP-UHFFFAOYSA-N	-1	0	358.419	3.142	40	0		FGABRM
COc1ccc(-c2nc3ccccc3s2)cc1N1C[C@H](C(=O)[O-])CC1=O	ZINC000045887038	494473102	/nfs/dbraw/zinc/47/31/02/494473102.db2.gz	JQEAEWKZVSLZIF-GFCCVEGCSA-N	-1	0	368.414	3.409	40	0		FGABRM
CCCCCC(=O)CC[C@@H]1[C@@H](C/C=C/CCCC(=O)[O-])[C@@H](O)C[C@@H]1O	ZINC000137347004	495437638	/nfs/dbraw/zinc/43/76/38/495437638.db2.gz	VKTIONYPMSCHQI-GONCHEPGSA-N	-1	0	354.487	3.475	40	0		FGABRM
CCCSc1nnc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)s1	ZINC000224065878	497046114	/nfs/dbraw/zinc/04/61/14/497046114.db2.gz	DRDDWNGUYWTVEH-UHFFFAOYSA-N	-1	0	373.525	3.466	40	0		FGABRM
COc1cc(I)c(OCC(C)C)c(C(=O)[O-])c1	ZINC000225280761	497059104	/nfs/dbraw/zinc/05/91/04/497059104.db2.gz	GKTGARZISOJJEE-UHFFFAOYSA-N	-1	0	350.152	3.033	40	0		FGABRM
CCN(Cc1ccc(C(=O)[O-])cc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000225147307	497057654	/nfs/dbraw/zinc/05/76/54/497057654.db2.gz	ZPMPQYYCAQUDPY-UHFFFAOYSA-N	-1	0	353.827	3.249	40	0		FGABRM
COC(=O)c1ccsc1NC(=O)[C@H]1[C@@H]2CC[C@@H](C2=C(C)C)[C@@H]1C(=O)[O-]	ZINC000225673790	497070783	/nfs/dbraw/zinc/07/07/83/497070783.db2.gz	AESCBCIBMTZBCE-OAACRXHESA-N	-1	0	363.435	3.166	40	0		FGABRM
O=C([O-])c1ccccc1-c1ccc(CN2CCO[C@@H](c3cnco3)C2)o1	ZINC000257208591	497390652	/nfs/dbraw/zinc/39/06/52/497390652.db2.gz	BMUGZDDVKUYEDE-GOSISDBHSA-N	-1	0	354.362	3.206	40	0		FGABRM
O=C(C[C@@H]1C=CCC1)N1CCC(c2cncc(Nc3ncccn3)n2)CC1	ZINC000257224229	497392114	/nfs/dbraw/zinc/39/21/14/497392114.db2.gz	FAWJHRRBTJOEQV-OAHLLOKOSA-N	-1	0	364.453	3.073	40	0		FGABRM
O=C([O-])c1ccccc1-n1cc(CN2CCCC[C@@H]2c2ccncn2)cn1	ZINC000257289346	497399893	/nfs/dbraw/zinc/39/98/93/497399893.db2.gz	PYFQCUTWQMSBLM-LJQANCHMSA-N	-1	0	363.421	3.088	40	0		FGABRM
CNc1nc(Nc2cc(Cl)c([O-])c(Cl)c2)cc(C(F)(F)F)n1	ZINC000328989165	499007973	/nfs/dbraw/zinc/00/79/73/499007973.db2.gz	IJKDOXLYMVTSNH-UHFFFAOYSA-N	-1	0	353.131	3.137	40	0		FGABRM
N=c1[n-]nc(SCC(=O)N2c3ccccc3S[C@H]3C=CC=C[C@@H]32)s1	ZINC000408543864	499591929	/nfs/dbraw/zinc/59/19/29/499591929.db2.gz	SCRGVZCIZKEYBH-JQWIXIFHSA-N	-1	0	374.516	3.045	40	0		FGABRM
O=C([O-])[C@@H]1CN[C@@H](c2ccc(-c3ccc(Br)cc3)o2)S1	ZINC000408978215	499595431	/nfs/dbraw/zinc/59/54/31/499595431.db2.gz	LINCPJSYKSWJSV-QWHCGFSZSA-N	-1	0	354.225	3.497	40	0		FGABRM
CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@H]2O/C(=C/CCCC(=O)[O-])C[C@H]21	ZINC000584577899	507421905	/nfs/dbraw/zinc/42/19/05/507421905.db2.gz	KAQKFAOMNZTLHT-DXZWICDISA-N	-1	0	352.471	3.409	40	0		FGABRM
CCCN1C(=O)N/C(=C/c2cc(Cl)c([O-])c(Br)c2)C1=O	ZINC000409238634	570743072	/nfs/dbraw/zinc/74/30/72/570743072.db2.gz	BDSBPBPFHSRJGU-UXBLZVDNSA-N	-1	0	359.607	3.111	40	0		FGABRM
CCc1nc(SC(=Cc2ccc(OC(C)C)c(OC)c2)C(=O)[O-])n[nH]1	ZINC000213396179	571307643	/nfs/dbraw/zinc/30/76/43/571307643.db2.gz	KAJRKJYECIPUNV-ZROIWOOFSA-N	-1	0	363.439	3.381	40	0		FGABRM
CC(C)(C)C(=O)N1CC[C@H](Cc2ccc(-c3cncc(C(=O)[O-])c3)nc2)C1	ZINC000257344025	210004888	/nfs/dbraw/zinc/00/48/88/210004888.db2.gz	ZVLYFWXEMNOBMC-OAHLLOKOSA-N	-1	0	367.449	3.279	40	0		FGABRM
CC(C)S(=O)(=O)N[C@H](C)c1onc(-c2ccc(Cl)cc2)c1C(=O)[O-]	ZINC000096297040	209887631	/nfs/dbraw/zinc/88/76/31/209887631.db2.gz	DEXYXVFAXKLXMM-SECBINFHSA-N	-1	0	372.830	3.082	40	0	biogenic,in-vitro	FGABRM
CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)cc(OC)cc1C	ZINC000224596342	209787761	/nfs/dbraw/zinc/78/77/61/209787761.db2.gz	HCLSQZQUZGNQQM-UHFFFAOYSA-N	-1	0	363.435	3.290	40	0		FGABRM
COc1ccc(-c2nnc([N-]S(=O)(=O)Cc3ccccc3)s2)cc1	ZINC000135980013	209372877	/nfs/dbraw/zinc/37/28/77/209372877.db2.gz	GLYFRXMOIYTFKQ-UHFFFAOYSA-N	-1	0	361.448	3.156	40	0		FGABRM
O=C([O-])[C@H](Cc1c[nH]c2ccc(F)cc12)NC(=O)OCc1ccccc1	ZINC000044909797	209321604	/nfs/dbraw/zinc/32/16/04/209321604.db2.gz	KRCKGUZDYXRPIQ-KRWDZBQOSA-N	-1	0	356.353	3.229	40	0		FGABRM
COCCN1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@H]1c1c[nH]c2ccccc21	ZINC000004563896	207029881	/nfs/dbraw/zinc/02/98/81/207029881.db2.gz	LCWSGBYPDQMYLK-RBUKOAKNSA-N	-1	0	364.401	3.180	40	0		FGABRM
CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2)c(Cl)cc1Cl	ZINC000004727926	207042993	/nfs/dbraw/zinc/04/29/93/207042993.db2.gz	QNHDKIVWPQQWCM-UHFFFAOYSA-N	-1	0	373.261	3.496	40	0		FGABRM
CCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC(=O)O[C@@H]3[C@](C)(CCC(=O)[O-])C[C@]12C	ZINC000004896388	207059689	/nfs/dbraw/zinc/05/96/89/207059689.db2.gz	MVEKQKDGIZGWCM-GOCWBJTDSA-N	-1	0	366.454	3.321	40	0		FGABRM
Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)[O-])C(C)C)cc1	ZINC000005199788	207085832	/nfs/dbraw/zinc/08/58/32/207085832.db2.gz	CRPIPIZFPMPEDX-KRWDZBQOSA-N	-1	0	354.406	3.086	40	0		FGABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)NC1CCCCC1	ZINC000005598910	207108148	/nfs/dbraw/zinc/10/81/48/207108148.db2.gz	FHUYEYBRQGCJQI-UHFFFAOYSA-N	-1	0	374.466	3.337	40	0		FGABRM
CCCCC[C@H](O)[C@@H](O)/C=C/C=C/C=C/C=C\[C@@H](O)CCCC(=O)[O-]	ZINC000014781423	207528263	/nfs/dbraw/zinc/52/82/63/207528263.db2.gz	UXVRTOKOJOMENI-DAYXTDPNSA-N	-1	0	352.471	3.129	40	0	in-vitro	FGABRM
O=c1cc(-c2ccc[nH]c2=O)nc2c(-c3ccccc3)c(C(F)(F)F)[n-]n21	ZINC000019373969	207667839	/nfs/dbraw/zinc/66/78/39/207667839.db2.gz	JMUJEDMPOGAMRD-UHFFFAOYSA-N	-1	0	372.306	3.476	40	0		FGABRM
CCCCC[C@H](O)CC[C@@H]1[C@@H](CCCCCCC(=O)[O-])[C@@H](O)C[C@@H]1O	ZINC000043772123	208309920	/nfs/dbraw/zinc/30/99/20/208309920.db2.gz	WMHAOJIJVNDMKA-JKEDJMADSA-N	-1	0	358.519	3.491	40	0	in-vitro	FGABRM
Cc1cc(NC(=S)NC(=O)c2cc3ccccc3o2)cc(C(=O)[O-])c1O	ZINC000020152384	220316869	/nfs/dbraw/zinc/31/68/69/220316869.db2.gz	SCSJCARSUCBHSO-UHFFFAOYSA-N	-1	0	370.386	3.272	40	0		FGABRM
COc1ccc(-n2[nH]c3nc(-c4ccccc4)c(Cl)c([O-])c3c2=O)cc1	ZINC000017075516	263372465	/nfs/dbraw/zinc/37/24/65/263372465.db2.gz	HYTQYHAZZYNPEU-UHFFFAOYSA-N	-1	0	367.792	3.336	40	0		FGABRM
CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000006362020	493961107	/nfs/dbraw/zinc/96/11/07/493961107.db2.gz	YBFYZNZRJJSRGH-GFCCVEGCSA-N	-1	0	350.415	3.155	40	0		FGABRM
CCCOc1ccc(Br)cc1/C=C/C(=O)NCCCC(=O)[O-]	ZINC000062715833	494021421	/nfs/dbraw/zinc/02/14/21/494021421.db2.gz	GHPSTQYPAIYFEX-VMPITWQZSA-N	-1	0	370.243	3.232	40	0		FGABRM
CCCCC[C@H](O)/C=C/C=C\C=C\C=C\[C@H](O)[C@@H](O)CCCC(=O)[O-]	ZINC000034094955	494065773	/nfs/dbraw/zinc/06/57/73/494065773.db2.gz	IXAQOQZEOGMIQS-UZDWIPAXSA-N	-1	0	352.471	3.129	40	0	in-vitro	FGABRM
COc1ccc(Br)cc1C(=O)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000008189866	494074887	/nfs/dbraw/zinc/07/48/87/494074887.db2.gz	PQBJHTRFKCVVFU-UHFFFAOYSA-N	-1	0	366.167	3.114	40	0		FGABRM
O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1	ZINC000008477226	494092518	/nfs/dbraw/zinc/09/25/18/494092518.db2.gz	ZOSJBVODLMTBDN-LFIBNONCSA-N	-1	0	368.364	3.490	40	0		FGABRM
Cc1ccc2cccc(O[C@@H]3C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C3)c2n1	ZINC000039954365	494124812	/nfs/dbraw/zinc/12/48/12/494124812.db2.gz	XVERRTTVGISARN-CABCVRRESA-N	-1	0	372.421	3.385	40	0		FGABRM
CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc3ncccc3c2)C[C@H]1C(=O)[O-]	ZINC000039954377	494124948	/nfs/dbraw/zinc/12/49/48/494124948.db2.gz	JKSXPEYTCUUMMA-HOCLYGCPSA-N	-1	0	358.394	3.076	40	0		FGABRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=S)NC(=O)c1cccs1	ZINC000020152342	494468882	/nfs/dbraw/zinc/46/88/82/494468882.db2.gz	AEBIPAHUOGSHMJ-UHFFFAOYSA-N	-1	0	370.839	3.235	40	0		FGABRM
Cc1cc(C)c(OS(=O)(=O)Nc2cccc(/C=C/C(=O)[O-])c2)c(C)c1	ZINC000020458636	494473646	/nfs/dbraw/zinc/47/36/46/494473646.db2.gz	HLODJYPFQIOARP-BQYQJAHWSA-N	-1	0	361.419	3.445	40	0		FGABRM
CCCCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCC(C)C	ZINC000217520922	496997863	/nfs/dbraw/zinc/99/78/63/496997863.db2.gz	KPHCDQKWDQZBPW-UHFFFAOYSA-N	-1	0	356.488	3.311	40	0		FGABRM
CCCCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1ccco1	ZINC000217495576	496998430	/nfs/dbraw/zinc/99/84/30/496998430.db2.gz	PHIWXJFPGDKOPL-UHFFFAOYSA-N	-1	0	366.439	3.058	40	0		FGABRM
C[C@@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccc2c(c1)CCCC2	ZINC000222932186	497029375	/nfs/dbraw/zinc/02/93/75/497029375.db2.gz	XJJFWOASBHJWOD-CQSZACIVSA-N	-1	0	372.490	3.428	40	0		FGABRM
O=c1[nH]c2cc(Cl)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2o1	ZINC000223325415	497035409	/nfs/dbraw/zinc/03/54/09/497035409.db2.gz	PCTFNOIPYRQOLN-UHFFFAOYSA-N	-1	0	359.190	3.229	40	0		FGABRM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c1	ZINC000223324655	497035671	/nfs/dbraw/zinc/03/56/71/497035671.db2.gz	BIROWSYWDDAYDC-UHFFFAOYSA-N	-1	0	352.799	3.192	40	0		FGABRM
Cc1ccc([N-]S(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)cc1C	ZINC000223342939	497036802	/nfs/dbraw/zinc/03/68/02/497036802.db2.gz	XGQHTJXXNBRHHA-UHFFFAOYSA-N	-1	0	366.826	3.203	40	0		FGABRM
O=C([O-])CN(c1ccccc1F)S(=O)(=O)c1ccc2ccccc2c1	ZINC000225053094	497056075	/nfs/dbraw/zinc/05/60/75/497056075.db2.gz	MEGBGZYCAZQIRC-UHFFFAOYSA-N	-1	0	359.378	3.259	40	0		FGABRM
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@H]2C(=O)[O-])cc1	ZINC000225654828	497070431	/nfs/dbraw/zinc/07/04/31/497070431.db2.gz	WNJINEPEOLFLIC-ARFHVFGLSA-N	-1	0	350.823	3.289	40	0		FGABRM
CC1CCN(c2nn(-c3cccc(C(F)(F)F)c3)nc2C(=O)[O-])CC1	ZINC000256046312	497382655	/nfs/dbraw/zinc/38/26/55/497382655.db2.gz	FEUZAMDQHLHVGT-UHFFFAOYSA-N	-1	0	354.332	3.221	40	0		FGABRM
O=C([O-])CC[C@H](c1ccccc1)N1CCN(C(=O)c2ccccc2F)CC1	ZINC000408608910	499593051	/nfs/dbraw/zinc/59/30/51/499593051.db2.gz	MXIPIYDRLZPIEX-LJQANCHMSA-N	-1	0	370.424	3.190	40	0		FGABRM
O=C([O-])[C@H]1CN[C@H](c2ccc(-c3ccc(Br)cc3)o2)S1	ZINC000408978214	499595466	/nfs/dbraw/zinc/59/54/66/499595466.db2.gz	LINCPJSYKSWJSV-OLZOCXBDSA-N	-1	0	354.225	3.497	40	0		FGABRM
CC[C@H](C)NS(=O)(=O)c1ccc(NCc2ccccc2)c(C(=O)[O-])c1	ZINC000217559493	524005035	/nfs/dbraw/zinc/00/50/35/524005035.db2.gz	JGHFFFSLZRTQQC-ZDUSSCGKSA-N	-1	0	362.451	3.074	40	0		FGABRM
O=C([O-])CCC(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1	ZINC000026438967	209620146	/nfs/dbraw/zinc/62/01/46/209620146.db2.gz	UJXNKNWSGPRWKQ-UHFFFAOYSA-N	-1	0	357.844	3.287	40	0		FGABRM
CCc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccccc4Cl)c(=O)c2=3)cc1	ZINC000101418576	209224931	/nfs/dbraw/zinc/22/49/31/209224931.db2.gz	NLNJMUKTCZLHSO-IRXDYDNUSA-N	-1	0	368.824	3.396	40	0		FGABRM
COc1cc(Br)c(Br)c(/C=C/C(=O)[O-])c1OC	ZINC000016194711	220180023	/nfs/dbraw/zinc/18/00/23/220180023.db2.gz	QWUDJJJOLLUHBV-ONEGZZNKSA-N	-1	0	366.005	3.327	40	0		FGABRM
C[C@H](CSC(=O)c1ccccc1)C(=O)N1c2ccccc2C[C@H]1C(=O)[O-]	ZINC000005759621	207116324	/nfs/dbraw/zinc/11/63/24/207116324.db2.gz	YTQUHORAJYMUKY-DYVFJYSZSA-N	-1	0	369.442	3.239	40	0		FGABRM
COc1ccccc1-c1ccc([N-]S(=O)(=O)c2cn(C)nc2C)cc1	ZINC000012117128	207339616	/nfs/dbraw/zinc/33/96/16/207339616.db2.gz	PYBRLWYSPFEGNJ-UHFFFAOYSA-N	-1	0	357.435	3.205	40	0		FGABRM
CC(C)C(=O)N1CCC[C@](Cc2cc(-c3ccccc3F)no2)(C(=O)[O-])C1	ZINC000012220013	207349386	/nfs/dbraw/zinc/34/93/86/207349386.db2.gz	ZWOZEMGGEFTLSP-HXUWFJFHSA-N	-1	0	374.412	3.373	40	0		FGABRM
Cc1ccccc1-c1cc(C[C@]2(C(=O)[O-])CCCN(C(=O)C3CC3)C2)on1	ZINC000012366468	207364781	/nfs/dbraw/zinc/36/47/81/207364781.db2.gz	BWGBKDCFCWMDEJ-OAQYLSRUSA-N	-1	0	368.433	3.296	40	0		FGABRM
COc1ccc(C(=O)[O-])c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1	ZINC000013084006	207449782	/nfs/dbraw/zinc/44/97/82/207449782.db2.gz	GWVIQGABJMWGRH-UHFFFAOYSA-N	-1	0	369.295	3.430	40	0		FGABRM
C[C@H](Sc1nnc2n(Cc3ccccc3)c3ccccc3n12)C(=O)[O-]	ZINC000033373744	208088474	/nfs/dbraw/zinc/08/84/74/208088474.db2.gz	FJPKDBMNYQZHAD-LBPRGKRZSA-N	-1	0	352.419	3.298	40	0		FGABRM
O=C([O-])c1c[nH]c(=S)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1=O	ZINC000020156299	263379276	/nfs/dbraw/zinc/37/92/76/263379276.db2.gz	CTYJFGOHTUCWQO-UHFFFAOYSA-N	-1	0	350.705	3.265	40	0		FGABRM
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)c1	ZINC000028196075	493779145	/nfs/dbraw/zinc/77/91/45/493779145.db2.gz	QVKPOTVBGVTGAJ-UHFFFAOYSA-N	-1	0	369.826	3.244	40	0		FGABRM
O=S(=O)([O-])CNc1ccc2c(c1)Cc1cc(Br)ccc1-2	ZINC000001580956	493797141	/nfs/dbraw/zinc/79/71/41/493797141.db2.gz	SOGNBHSMPFBFOQ-UHFFFAOYSA-N	-1	0	354.225	3.278	40	0		FGABRM
COc1ccc(N([C@@H](C)CC(=O)[O-])S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000001713697	493797807	/nfs/dbraw/zinc/79/78/07/493797807.db2.gz	DNVMKYRSOLMCSJ-AWEZNQCLSA-N	-1	0	363.435	3.062	40	0		FGABRM
CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000002754434	493818227	/nfs/dbraw/zinc/81/82/27/493818227.db2.gz	VDHOHBNZFUFZAP-XWUBHJNHSA-N	-1	0	365.451	3.227	40	0		FGABRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1C(C)(C)C	ZINC000006825521	493982619	/nfs/dbraw/zinc/98/26/19/493982619.db2.gz	QUHURHRFIODRKE-MHWRWJLKSA-N	-1	0	369.421	3.115	40	0		FGABRM
O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1cccn1-c1ccc(F)cc1	ZINC000007495320	494025590	/nfs/dbraw/zinc/02/55/90/494025590.db2.gz	HSMLQIIXGLCAOR-SFQUDFHCSA-N	-1	0	367.380	3.021	40	0		FGABRM
COc1cccc(NC(=O)c2cccc(NC(=O)CCCC(=O)[O-])c2)c1	ZINC000008434585	494090551	/nfs/dbraw/zinc/09/05/51/494090551.db2.gz	POORXFUTYSJIPZ-UHFFFAOYSA-N	-1	0	356.378	3.141	40	0		FGABRM
O=C([O-])[C@@H]1COC2(CCCCC2)N1C(=O)c1ccccc1C(F)(F)F	ZINC000071979789	494114265	/nfs/dbraw/zinc/11/42/65/494114265.db2.gz	FATZCFUDGRSHTM-ZDUSSCGKSA-N	-1	0	357.328	3.291	40	0		FGABRM
Cc1cnc([N-]c2nccc([C@@H]3CCCCN3Cc3ncc[nH]3)n2)s1	ZINC000072378061	494161125	/nfs/dbraw/zinc/16/11/25/494161125.db2.gz	BGLIBGXHOIRUAM-AWEZNQCLSA-N	-1	0	355.471	3.435	40	0		FGABRM
NC1=NS(=O)(=O)[N-]c2nc(-c3ccccc3)c(-c3ccccc3)nc21	ZINC000017217529	494410410	/nfs/dbraw/zinc/41/04/10/494410410.db2.gz	ZRMWWXLNVGWPKR-UHFFFAOYSA-N	-1	0	351.391	3.017	40	0		FGABRM
CCOc1ccccc1-c1nnc(NC(=O)c2ccccc2C(=O)[O-])o1	ZINC000019927180	494464458	/nfs/dbraw/zinc/46/44/58/494464458.db2.gz	RFZJZUALPPLGCD-UHFFFAOYSA-N	-1	0	353.334	3.086	40	0		FGABRM
Cc1cc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc(C(=O)[O-])c1O	ZINC000020143173	494467370	/nfs/dbraw/zinc/46/73/70/494467370.db2.gz	JHHKALYEUCKVTR-UHFFFAOYSA-N	-1	0	361.222	3.347	40	0		FGABRM
Cc1cc(NC(=S)NC(=O)c2ccccc2Cl)cc(C(=O)[O-])c1O	ZINC000020151730	494468966	/nfs/dbraw/zinc/46/89/66/494468966.db2.gz	BCMNZNOPNGBMEC-UHFFFAOYSA-N	-1	0	364.810	3.179	40	0		FGABRM
COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(C(=O)[O-])cc1C	ZINC000020153376	494468985	/nfs/dbraw/zinc/46/89/85/494468985.db2.gz	VTONIQBXCDTHIS-UHFFFAOYSA-N	-1	0	358.419	3.137	40	0		FGABRM
CCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1Cl	ZINC000026531740	494830187	/nfs/dbraw/zinc/83/01/87/494830187.db2.gz	ADJNVQMWFBVVCP-UHFFFAOYSA-N	-1	0	353.827	3.490	40	0		FGABRM
CCCCC/C=C\C[C@H]1[C@H](O)C[C@H](O)[C@H]1/C=C/[C@@H](O)CCCC(=O)[O-]	ZINC000027641106	494878979	/nfs/dbraw/zinc/87/89/79/494878979.db2.gz	RZCPXIZGLPAGEV-VOMLHDSDSA-N	-1	0	354.487	3.043	40	0	in-vitro	FGABRM
COc1cc(CCc2ccccc2)c(C(=O)[O-])c2c1C[C@@H](O)C(C)(C)O2	ZINC000138700005	495466554	/nfs/dbraw/zinc/46/65/54/495466554.db2.gz	CXFZCZSMQFGFHC-QGZVFWFLSA-N	-1	0	356.418	3.253	40	0	biogenic,in-vitro	FGABRM
COc1cc(/C=C(\Sc2nnc(C)o2)C(=O)[O-])ccc1OC(C)C	ZINC000211533841	496975841	/nfs/dbraw/zinc/97/58/41/496975841.db2.gz	VFJHLSPEOKGULJ-ZSOIEALJSA-N	-1	0	350.396	3.392	40	0		FGABRM
Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@H]2C(=O)[O-])cc1	ZINC000218427707	497002391	/nfs/dbraw/zinc/00/23/91/497002391.db2.gz	PICRZOMRQJDPHX-BZUAXINKSA-N	-1	0	350.823	3.289	40	0		FGABRM
CSc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccccc2Cl)cc1	ZINC000224974292	497053994	/nfs/dbraw/zinc/05/39/94/497053994.db2.gz	KLWWBFJYUVVYCE-UHFFFAOYSA-N	-1	0	371.867	3.342	40	0		FGABRM
Cc1cccc(C2(C(=O)Nc3ccc(OCC(=O)[O-])cc3)CCOCC2)c1	ZINC000225566179	497067651	/nfs/dbraw/zinc/06/76/51/497067651.db2.gz	DQOKMIBNDYFFBA-UHFFFAOYSA-N	-1	0	369.417	3.145	40	0		FGABRM
CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCCN(C(=O)CCC(=O)[O-])[C@H]3C[C@@H]21	ZINC000257215151	497392504	/nfs/dbraw/zinc/39/25/04/497392504.db2.gz	COXOJVRITLGCBA-MZRZTIOWSA-N	-1	0	373.449	3.160	40	0		FGABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC3CC3)ccc2Cl)cc1	ZINC000408547649	499591859	/nfs/dbraw/zinc/59/18/59/499591859.db2.gz	KQKSVJGJWBFSMY-UHFFFAOYSA-N	-1	0	364.854	3.341	40	0		FGABRM
CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(NC(C)=O)c1	ZINC000408585333	499592460	/nfs/dbraw/zinc/59/24/60/499592460.db2.gz	DTYMVCIAHGCVNT-UHFFFAOYSA-N	-1	0	368.842	3.498	40	0		FGABRM
CCOc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1NC(=O)CC	ZINC000408696354	499593764	/nfs/dbraw/zinc/59/37/64/499593764.db2.gz	AFDVPTFQUCDFEB-UHFFFAOYSA-N	-1	0	366.414	3.374	40	0		FGABRM
CCCCNc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)[O-]	ZINC000217603640	520699108	/nfs/dbraw/zinc/69/91/08/520699108.db2.gz	KYDSXTYUTNQHOK-UHFFFAOYSA-N	-1	0	362.451	3.075	40	0		FGABRM
CC(=O)c1ccc(-c2ccc(C=C3SC(=O)N(CC(=O)[O-])C3=O)o2)cc1	ZINC000409135926	570731306	/nfs/dbraw/zinc/73/13/06/570731306.db2.gz	RDGZHLMHEIJOPR-OVCLIPMQSA-N	-1	0	371.370	3.270	40	0		FGABRM
Cc1ccc(OCC(=O)NC(=S)Nc2cccc(C(=O)[O-])c2C)cc1C	ZINC000006613887	570783747	/nfs/dbraw/zinc/78/37/47/570783747.db2.gz	SPZHFXCFOWRNMK-UHFFFAOYSA-N	-1	0	372.446	3.202	40	0		FGABRM
Cc1nc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)sc1C(=O)[O-]	ZINC000020156602	570911547	/nfs/dbraw/zinc/91/15/47/570911547.db2.gz	MNHCVMKYNKJDBZ-UHFFFAOYSA-N	-1	0	367.235	3.257	40	0		FGABRM
CCCc1nc(SC(=Cc2ccc(Br)o2)C(=O)[O-])n[nH]1	ZINC000213378696	571307668	/nfs/dbraw/zinc/30/76/68/571307668.db2.gz	SLGGXMPEXSFHEJ-VURMDHGXSA-N	-1	0	358.217	3.331	40	0		FGABRM
Cc1c(Cl)cccc1NC(=O)c1ccc(NC(=O)/C=C\C(=O)[O-])cc1	ZINC000214403257	571307792	/nfs/dbraw/zinc/30/77/92/571307792.db2.gz	CDIHUZALMDLTCI-KTKRTIGZSA-N	-1	0	358.781	3.480	40	0		FGABRM
O=C([O-])c1c(OC2CC2)cnc2cccc(I)c21	ZINC000685937556	571319009	/nfs/dbraw/zinc/31/90/09/571319009.db2.gz	QYKAYVPPJZASFC-UHFFFAOYSA-N	-1	0	355.131	3.079	40	0		FGABRM
CC(C)CCNc1ccc(S(=O)(=O)NC2CCCC2)cc1C(=O)[O-]	ZINC000217577638	209658937	/nfs/dbraw/zinc/65/89/37/209658937.db2.gz	PTIOCEXWNJIUKC-UHFFFAOYSA-N	-1	0	354.472	3.064	40	0		FGABRM
Cc1nc(C)n([C@@H](C)Cc2cc(=O)n3[n-]cc(-c4ccc(C)cc4)c3n2)n1	ZINC000100776302	209217522	/nfs/dbraw/zinc/21/75/22/209217522.db2.gz	VUPRMCBNLQDNTN-ZDUSSCGKSA-N	-1	0	362.437	3.422	40	0		FGABRM
COC(=O)c1ccsc1NC(=O)[C@@H]1[C@H]2CC[C@H](C2=C(C)C)[C@@H]1C(=O)[O-]	ZINC000006363165	207138394	/nfs/dbraw/zinc/13/83/94/207138394.db2.gz	AESCBCIBMTZBCE-PJQZNRQZSA-N	-1	0	363.435	3.166	40	0		FGABRM
COc1ccc(-c2ccccc2)cc1[N-]S(=O)(=O)c1cn(C)nc1C	ZINC000012117093	207339562	/nfs/dbraw/zinc/33/95/62/207339562.db2.gz	JESQQTYIQQABJC-UHFFFAOYSA-N	-1	0	357.435	3.205	40	0		FGABRM
O=C([O-])C1=C(Br)[C@@H]2O[C@H]1c1c2cccc1OC(F)(F)F	ZINC000095611603	209084916	/nfs/dbraw/zinc/08/49/16/209084916.db2.gz	KVAFEJFUTWPHSB-ZJUUUORDSA-N	-1	0	351.074	3.445	40	0		FGABRM
COC(=O)c1c2c(sc1[N-]S(=O)(=O)c1ccc(C)cc1)CCC2	ZINC000027831781	263390062	/nfs/dbraw/zinc/39/00/62/263390062.db2.gz	MTURHZUFVAQXRQ-UHFFFAOYSA-N	-1	0	351.449	3.133	40	0		FGABRM
CCCCOC(=O)c1ccc(NC(=O)c2nc3ccccc3c(=O)[n-]2)cc1	ZINC000028210354	493779696	/nfs/dbraw/zinc/77/96/96/493779696.db2.gz	PIORSDMUQKGOLZ-UHFFFAOYSA-N	-1	0	365.389	3.132	40	0		FGABRM
CCCCC[C@@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000003830201	493857855	/nfs/dbraw/zinc/85/78/55/493857855.db2.gz	GMVPRGQOIOIIMI-LJAFAMCTSA-N	-1	0	354.487	3.475	40	0		FGABRM
Cc1ccc(Cc2c(C)[nH]c3[n-]n(-c4ccc(F)cc4)c(=O)c3c2=O)cc1	ZINC000008020976	494060704	/nfs/dbraw/zinc/06/07/04/494060704.db2.gz	SFVKYMLDHNLPKQ-UHFFFAOYSA-N	-1	0	363.392	3.354	40	0		FGABRM
CC(C)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1	ZINC000008477210	494092330	/nfs/dbraw/zinc/09/23/30/494092330.db2.gz	NVQRUIDRTWEBTC-GZTJUZNOSA-N	-1	0	356.422	3.126	40	0		FGABRM
O=C([O-])[C@H]1COC2(CCCCC2)N1C(=O)c1ccc(Br)cc1	ZINC000071979752	494113186	/nfs/dbraw/zinc/11/31/86/494113186.db2.gz	BMXJRZNOCXPXFU-CYBMUJFWSA-N	-1	0	368.227	3.035	40	0		FGABRM
Cc1nc([N-]c2nncs2)cc([C@H]2CCCN2Cc2cccnc2)n1	ZINC000072360212	494158697	/nfs/dbraw/zinc/15/86/97/494158697.db2.gz	OFBPODOPESRMCR-OAHLLOKOSA-N	-1	0	353.455	3.112	40	0		FGABRM
O=C(CC1CCCC1)N1CCC[C@@H](c2ccnc([N-]c3ncccn3)n2)C1	ZINC000072377974	494160999	/nfs/dbraw/zinc/16/09/99/494160999.db2.gz	QQLIGILNMQAMRX-MRXNPFEDSA-N	-1	0	366.469	3.297	40	0		FGABRM
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H](O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000013540344	494289380	/nfs/dbraw/zinc/28/93/80/494289380.db2.gz	PXGPLTODNUVGFL-PTTZIUQESA-N	-1	0	354.487	3.043	40	0	in-vitro	FGABRM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)/C=C/c2ccc(Cl)cc2)c1	ZINC000013554958	494289455	/nfs/dbraw/zinc/28/94/55/494289455.db2.gz	XFLIIYUQKBOARX-BJMVGYQFSA-N	-1	0	365.838	3.491	40	0		FGABRM
Cc1cc(C)nc(SCc2cc(=O)n(-c3nc4ccccc4o3)[n-]2)n1	ZINC000014607853	494321819	/nfs/dbraw/zinc/32/18/19/494321819.db2.gz	YTEFCQXOKMLDGY-UHFFFAOYSA-N	-1	0	353.407	3.418	40	0		FGABRM
Cc1ccc(C)c([C@H](NC(=O)CCc2cc(=O)[n-]o2)c2ccncc2)c1	ZINC000019132237	494436774	/nfs/dbraw/zinc/43/67/74/494436774.db2.gz	YLBROKOUYSNCFB-HXUWFJFHSA-N	-1	0	351.406	3.230	40	0		FGABRM
COc1ccc(C(=O)[O-])cc1NC(=O)c1cccc(Br)c1	ZINC000020137976	494467234	/nfs/dbraw/zinc/46/72/34/494467234.db2.gz	AKCIGTAJNNOLEF-UHFFFAOYSA-N	-1	0	350.168	3.408	40	0		FGABRM
CCOc1ccc(/C=C/C(=O)Nc2cc(C)c(O)c(C(=O)[O-])c2)cc1OC	ZINC000020151140	494468501	/nfs/dbraw/zinc/46/85/01/494468501.db2.gz	OCTCPGFNWWJDKQ-SOFGYWHQSA-N	-1	0	371.389	3.458	40	0		FGABRM
CC1(C)CC(=O)c2cnc([N-]S(=O)(=O)c3ccc(Cl)cc3)nc2C1	ZINC000020633929	494478394	/nfs/dbraw/zinc/47/83/94/494478394.db2.gz	AMCWQSRWZLSVNA-UHFFFAOYSA-N	-1	0	365.842	3.086	40	0		FGABRM
CCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ncccn2)c1=O	ZINC000100534618	495065056	/nfs/dbraw/zinc/06/50/56/495065056.db2.gz	PIMXAXUMJGPEGE-UHFFFAOYSA-N	-1	0	366.421	3.330	40	0		FGABRM
C[C@@H](NS(=O)(=O)c1ccc(N2CCCC2)c(C(=O)[O-])c1)c1ccccc1	ZINC000217611867	496999288	/nfs/dbraw/zinc/99/92/88/496999288.db2.gz	AGVSJLXHXAEWNG-CQSZACIVSA-N	-1	0	374.462	3.025	40	0		FGABRM
O=C([O-])[C@H]1[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218551443	497003273	/nfs/dbraw/zinc/00/32/73/497003273.db2.gz	BBGKUGWNEADOPG-KKUMJFAQSA-N	-1	0	354.786	3.120	40	0		FGABRM
Cc1cccc2[nH]c(C[C@@H](c3nc4c(cccc4C)[nH]3)S(=O)(=O)[O-])nc21	ZINC000255190340	497362318	/nfs/dbraw/zinc/36/23/18/497362318.db2.gz	WPKJGBQXZJAIJS-AWEZNQCLSA-N	-1	0	370.434	3.228	40	0		FGABRM
CCc1[nH]c2c(cccc2C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)c1C	ZINC000257255619	497396395	/nfs/dbraw/zinc/39/63/95/497396395.db2.gz	KIFKQSVTMOVLND-UHFFFAOYSA-N	-1	0	360.410	3.297	40	0		FGABRM
Cn1[n-]c([C@H]2CC[N@H+](Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2)cc1=O	ZINC000257317031	497402861	/nfs/dbraw/zinc/40/28/61/497402861.db2.gz	VIBRDUPXIBJXOZ-ZDUSSCGKSA-N	-1	0	367.405	3.073	40	0		FGABRM
CC(C)n1cnc2cc(C(=O)N(CC(=O)[O-])Cc3ccc(F)cc3)ccc21	ZINC000257324033	497404339	/nfs/dbraw/zinc/40/43/39/497404339.db2.gz	WMWHBEXWTQBHRY-UHFFFAOYSA-N	-1	0	369.396	3.483	40	0		FGABRM
Cc1ccc(CC(=O)NC2CCC(C(=O)[O-])CC2)cc1Br	ZINC000262931369	497659284	/nfs/dbraw/zinc/65/92/84/497659284.db2.gz	BGTFVOLHGIUEBQ-UHFFFAOYSA-N	-1	0	354.244	3.060	40	0		FGABRM
COc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Cl)c1OCc1ccccc1	ZINC000409046469	570715474	/nfs/dbraw/zinc/71/54/74/570715474.db2.gz	KURSKRUSGKULMA-RIYZIHGNSA-N	-1	0	358.781	3.108	40	0		FGABRM
CCOc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Cl)c1OCc1ccccc1	ZINC000409042128	570715597	/nfs/dbraw/zinc/71/55/97/570715597.db2.gz	BLBXFDBURKEEAT-OQLLNIDSSA-N	-1	0	372.808	3.498	40	0		FGABRM
CC(C)Oc1nc2cccc(I)c2cc1C(=O)[O-]	ZINC000685937540	571319024	/nfs/dbraw/zinc/31/90/24/571319024.db2.gz	QSBGYYZLSVQVBH-UHFFFAOYSA-N	-1	0	357.147	3.325	40	0		FGABRM
CCOc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2C)cc1	ZINC000006570192	209508793	/nfs/dbraw/zinc/50/87/93/209508793.db2.gz	YLFDNWDHBRHSBO-UHFFFAOYSA-N	-1	0	358.419	3.219	40	0		FGABRM
COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cccc(Cl)c2C)c1	ZINC000145530757	209381381	/nfs/dbraw/zinc/38/13/81/209381381.db2.gz	ISCVTFSSWDIALH-UHFFFAOYSA-N	-1	0	357.790	3.375	40	0		FGABRM
COc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)ccc1OCc1ccc(F)cc1	ZINC000000807741	209376720	/nfs/dbraw/zinc/37/67/20/209376720.db2.gz	LWDWLSYLSWKUCE-RHSMWYFYSA-N	-1	0	363.410	3.202	40	0		FGABRM
O=c1oc2ccccc2c([O-])c1[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCCC1	ZINC000104241825	209259853	/nfs/dbraw/zinc/25/98/53/209259853.db2.gz	VQVBCECEJDOLDU-LJQANCHMSA-N	-1	0	365.385	3.413	40	0		FGABRM
COc1ccc([C@H]2CC(C(=O)[O-])=Nc3nc4ccccc4n32)cc1OC	ZINC000102243904	209233738	/nfs/dbraw/zinc/23/37/38/209233738.db2.gz	WWDVWCCAKDMAQU-OAHLLOKOSA-N	-1	0	351.362	3.037	40	0		FGABRM
CC/C=C\C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000004097122	207001722	/nfs/dbraw/zinc/00/17/22/207001722.db2.gz	CBOMORHDRONZRN-QLOYDKTKSA-N	-1	0	350.455	3.027	40	0	endogenous,in-man	FGABRM
CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000004566513	207029113	/nfs/dbraw/zinc/02/91/13/207029113.db2.gz	LKIWMMSLOPLVFO-WVWOOGAGSA-N	-1	0	363.435	3.003	40	0		FGABRM
O=C([O-])c1cc(NC(=O)CC[C@@H]2CC(=O)O[C@H]2c2ccccc2)ccc1O	ZINC000005002242	207070955	/nfs/dbraw/zinc/07/09/55/207070955.db2.gz	CBTOVMFQTUDKNI-YJYMSZOUSA-N	-1	0	369.373	3.114	40	0		FGABRM
CC[C@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(C)cc1)C(=O)[O-]	ZINC000005199801	207085713	/nfs/dbraw/zinc/08/57/13/207085713.db2.gz	PWNPMOFLGINKNY-KSSFIOAISA-N	-1	0	368.433	3.476	40	0		FGABRM
CC[C@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(C)cc1)C(=O)[O-]	ZINC000005199811	207085777	/nfs/dbraw/zinc/08/57/77/207085777.db2.gz	PWNPMOFLGINKNY-KBXCAEBGSA-N	-1	0	368.433	3.476	40	0		FGABRM
CC[C@@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(C)cc1)C(=O)[O-]	ZINC000005199806	207086066	/nfs/dbraw/zinc/08/60/66/207086066.db2.gz	PWNPMOFLGINKNY-RDTXWAMCSA-N	-1	0	368.433	3.476	40	0		FGABRM
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@H]1C/C=C/CCCC(=O)[O-]	ZINC000005820790	207117505	/nfs/dbraw/zinc/11/75/05/207117505.db2.gz	XEYBRNLFEZDVAW-VQOKHPCSSA-N	-1	0	352.471	3.251	40	0		FGABRM
COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(Cl)ccc2OC)c1	ZINC000034367433	208104608	/nfs/dbraw/zinc/10/46/08/208104608.db2.gz	LGXACFGADNMEIX-UHFFFAOYSA-N	-1	0	369.826	3.244	40	0		FGABRM
CCOc1cc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccn2)cc1Cl	ZINC000036638853	208168839	/nfs/dbraw/zinc/16/88/39/208168839.db2.gz	PBDGPVFQBFMXNC-UHFFFAOYSA-N	-1	0	361.250	3.318	40	0		FGABRM
CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](CCCCCCC(=O)[O-])[C@@H](O)C[C@@H]1O	ZINC000043772082	208309405	/nfs/dbraw/zinc/30/94/05/208309405.db2.gz	DZUXGQBLFALXCR-OKLHFOCDSA-N	-1	0	356.503	3.267	40	0	in-vitro	FGABRM
CCCN1c2ccccc2/C(=C/c2ccc(OCC(=O)[O-])c(OC)c2)C1=O	ZINC000409122413	263530333	/nfs/dbraw/zinc/53/03/33/263530333.db2.gz	YFFQGMUAMQSDJJ-WJDWOHSUSA-N	-1	0	367.401	3.456	40	0		FGABRM
CSCC[C@H](NC(=O)CCCOc1ccc(Cl)cc1C)C(=O)[O-]	ZINC000001747354	493797850	/nfs/dbraw/zinc/79/78/50/493797850.db2.gz	HAPDFGQRHBFQJX-ZDUSSCGKSA-N	-1	0	359.875	3.130	40	0		FGABRM
O=C([O-])c1ccccc1C(=O)c1ccc(I)cc1	ZINC000001669764	493798048	/nfs/dbraw/zinc/79/80/48/493798048.db2.gz	GXPYRMARSFQJPC-UHFFFAOYSA-N	-1	0	352.127	3.220	40	0		FGABRM
Cc1nc([N-]c2nncs2)cc([C@H]2CCCN2C(=O)c2ccccc2)n1	ZINC000072360190	494158553	/nfs/dbraw/zinc/15/85/53/494158553.db2.gz	KVDCHJWSXVMSFD-OAHLLOKOSA-N	-1	0	366.450	3.357	40	0		FGABRM
Cc1nc(C)c(C(=O)N2CCCC[C@@H]2c2cc3nc(C)c(C)c(=O)n3[n-]2)o1	ZINC000012161582	494210258	/nfs/dbraw/zinc/21/02/58/494210258.db2.gz	QSFYXMQUZJBBQA-OAHLLOKOSA-N	-1	0	369.425	3.024	40	0		FGABRM
CCCNC(=O)c1ccccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1	ZINC000014291506	494314991	/nfs/dbraw/zinc/31/49/91/494314991.db2.gz	NQAIROZSDJPXNA-UHFFFAOYSA-N	-1	0	366.870	3.422	40	0		FGABRM
CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(CC(=O)[O-])cc2)cc1	ZINC000020152887	494468693	/nfs/dbraw/zinc/46/86/93/494468693.db2.gz	CSUCYDKVHDULCW-UHFFFAOYSA-N	-1	0	372.446	3.228	40	0		FGABRM
COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(C(=O)[O-])c1C	ZINC000020418286	494472735	/nfs/dbraw/zinc/47/27/35/494472735.db2.gz	KFPLWGWVGQAFTA-UHFFFAOYSA-N	-1	0	358.419	3.137	40	0		FGABRM
O=C([O-])[C@@H]1CC(=O)N(Cc2ccc(-c3nc4ccccc4s3)cc2)C1	ZINC000045886881	494473478	/nfs/dbraw/zinc/47/34/78/494473478.db2.gz	BTBPNMXVAKZKSD-CQSZACIVSA-N	-1	0	352.415	3.396	40	0		FGABRM
COc1ccc2[nH]cc(CCNc3ccc([N+](=O)[O-])cc3C(=O)[O-])c2c1	ZINC000118409119	495000747	/nfs/dbraw/zinc/00/07/47/495000747.db2.gz	NIJPLVFXZYUYQO-UHFFFAOYSA-N	-1	0	355.350	3.438	40	0		FGABRM
Cc1cc(C(=O)N[C@H](C)c2onc(-c3cccnc3)c2C(=O)[O-])c(C)o1	ZINC000096296999	495009557	/nfs/dbraw/zinc/00/95/57/495009557.db2.gz	FUGJDSUCBUKCKL-SNVBAGLBSA-N	-1	0	355.350	3.136	40	0	biogenic,in-vitro	FGABRM
CCCNc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(=O)[O-]	ZINC000217581703	496998061	/nfs/dbraw/zinc/99/80/61/496998061.db2.gz	LDPARFFMVOUEEP-UHFFFAOYSA-N	-1	0	354.472	3.208	40	0		FGABRM
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](C(=O)[O-])[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000218393937	497001930	/nfs/dbraw/zinc/00/19/30/497001930.db2.gz	KEBPDVFKWWZVNR-JYJNAYRXSA-N	-1	0	350.823	3.289	40	0		FGABRM
CCc1ccccc1[N-]S(=O)(=O)c1cc2oc(=O)n(C)c2cc1Cl	ZINC000223343105	497036490	/nfs/dbraw/zinc/03/64/90/497036490.db2.gz	INIUMCMKPOAXPQ-UHFFFAOYSA-N	-1	0	366.826	3.148	40	0		FGABRM
Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)c(Cl)cc21	ZINC000223343729	497036617	/nfs/dbraw/zinc/03/66/17/497036617.db2.gz	NBEIVXHUCJLYSL-UHFFFAOYSA-N	-1	0	373.217	3.239	40	0		FGABRM
Cc1nnc([N-]c2cc([C@@H]3CCCCN3Cc3ncc[nH]3)nc(C)n2)s1	ZINC000257284376	497398944	/nfs/dbraw/zinc/39/89/44/497398944.db2.gz	PCLBSNDNCPMLGK-AWEZNQCLSA-N	-1	0	370.486	3.139	40	0		FGABRM
CCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1OC	ZINC000408698732	499593811	/nfs/dbraw/zinc/59/38/11/499593811.db2.gz	RYWOTBSKLOLGOK-UHFFFAOYSA-N	-1	0	362.451	3.461	40	0		FGABRM
O=C([O-])c1cnc(N2CCc3ccccc3C2)nc1COc1ccccc1	ZINC000585265622	507581815	/nfs/dbraw/zinc/58/18/15/507581815.db2.gz	PHTLPZARAVWDJV-UHFFFAOYSA-N	-1	0	361.401	3.317	40	0		FGABRM
CC[C@@H](C)NS(=O)(=O)c1ccc(NCc2ccccc2)c(C(=O)[O-])c1	ZINC000217559414	522229838	/nfs/dbraw/zinc/22/98/38/522229838.db2.gz	JGHFFFSLZRTQQC-CYBMUJFWSA-N	-1	0	362.451	3.074	40	0		FGABRM
COc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Cl)c1OCc1ccc(C)cc1	ZINC000409049988	570716339	/nfs/dbraw/zinc/71/63/39/570716339.db2.gz	ZEUOKCVZGLTXGD-OVCLIPMQSA-N	-1	0	372.808	3.416	40	0		FGABRM
CCCN1C(=O)N/C(=C\c2cc(Br)cc(Cl)c2[O-])C1=O	ZINC000409248793	570745315	/nfs/dbraw/zinc/74/53/15/570745315.db2.gz	QSHVHCXEMMZNEG-YHYXMXQVSA-N	-1	0	359.607	3.111	40	0		FGABRM
CSc1ccc([C@H](CC(=O)[O-])NC(=S)Nc2nccc(C)n2)cc1	ZINC000225216012	209803305	/nfs/dbraw/zinc/80/33/05/209803305.db2.gz	QRNCWHSKPISAEP-ZDUSSCGKSA-N	-1	0	362.480	3.009	40	0		FGABRM
CNC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccc3ccccc3c2)c1	ZINC000121595393	209356514	/nfs/dbraw/zinc/35/65/14/209356514.db2.gz	WHXTTYOYEPESLA-UHFFFAOYSA-N	-1	0	370.430	3.009	40	0		FGABRM
CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1	ZINC000047464533	209328916	/nfs/dbraw/zinc/32/89/16/209328916.db2.gz	ITAKYQANHGWSNR-UHFFFAOYSA-N	-1	0	372.490	3.153	40	0		FGABRM
COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1	ZINC000109067515	209297293	/nfs/dbraw/zinc/29/72/93/209297293.db2.gz	ZBENIWCMMQZNFB-UHFFFAOYSA-N	-1	0	361.753	3.206	40	0		FGABRM
COc1ccc([C@H]2OC3=Nc4cc(C)c(C)cc4N[C@@H]3C2=O)cc1OC	ZINC000104239748	209259109	/nfs/dbraw/zinc/25/91/09/209259109.db2.gz	NZFHAWCEYPEAQD-IEBWSBKVSA-N	-1	0	352.390	3.485	40	0		FGABRM
C[C@H]1Nc2ccccc2S[C@@H]1C(=O)c1c([O-])c2ccccc2n(C)c1=O	ZINC000102756070	209240785	/nfs/dbraw/zinc/24/07/85/209240785.db2.gz	ZVNNXCHXWPWQJU-WYRIXSBYSA-N	-1	0	366.442	3.402	40	0		FGABRM
CC(C)c1cc(-c2cc(=O)n3[n-]cc(C(=O)Nc4ccccc4)c3n2)n[nH]1	ZINC000100775458	209217046	/nfs/dbraw/zinc/21/70/46/209217046.db2.gz	CKBVAICCYYGHTJ-UHFFFAOYSA-N	-1	0	362.393	3.201	40	0		FGABRM
CCC(=O)O[C@H]1CC[C@H]2[C@H]3CCC(=O)O[C@@H]3[C@](C)(CCC(=O)[O-])C[C@]12C	ZINC000004896387	207060314	/nfs/dbraw/zinc/06/03/14/207060314.db2.gz	MVEKQKDGIZGWCM-CQVYYPFOSA-N	-1	0	366.454	3.321	40	0		FGABRM
Cc1ccc(S(=O)(=O)[N-]c2nc(C)c3c(n2)CC(C)(C)CC3=O)cc1	ZINC000020633856	207748255	/nfs/dbraw/zinc/74/82/55/207748255.db2.gz	YOLCFTUASMMQEH-UHFFFAOYSA-N	-1	0	359.451	3.049	40	0		FGABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccn(Cc2ccccc2Cl)n1	ZINC000036000012	208138697	/nfs/dbraw/zinc/13/86/97/208138697.db2.gz	NIVHSSUGHHUFPV-AWBCAMRRSA-N	-1	0	371.824	3.046	40	0		FGABRM
CCCCC[C@H](O)/C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000012503214	263370964	/nfs/dbraw/zinc/37/09/64/263370964.db2.gz	XEYBRNLFEZDVAW-LXCWKXKGSA-N	-1	0	352.471	3.251	40	0		FGABRM
CCOCCCN1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@H]1c1ccccc1	ZINC000049466834	493874872	/nfs/dbraw/zinc/87/48/72/493874872.db2.gz	WLGFTAWOOONNQM-RBUKOAKNSA-N	-1	0	353.418	3.479	40	0		FGABRM
COc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)[O-])cc1Cl	ZINC000005880271	493945526	/nfs/dbraw/zinc/94/55/26/493945526.db2.gz	LJAPBPDOGGTYGB-UHFFFAOYSA-N	-1	0	364.810	3.174	40	0		FGABRM
O=C([O-])c1cc(Cl)cc(Cl)c1NC(=S)NC(=O)c1ccco1	ZINC000006251519	493956380	/nfs/dbraw/zinc/95/63/80/493956380.db2.gz	FPOYWQLTAJBIIP-UHFFFAOYSA-N	-1	0	359.190	3.411	40	0		FGABRM
COc1ccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2Cl)cc1	ZINC000006736466	493977112	/nfs/dbraw/zinc/97/71/12/493977112.db2.gz	QBYQHGOTICVAMH-UHFFFAOYSA-N	-1	0	364.810	3.174	40	0		FGABRM
CCCc1nc(SC(=Cc2cccc(OC)c2OCC)C(=O)[O-])n[nH]1	ZINC000007342347	494016833	/nfs/dbraw/zinc/01/68/33/494016833.db2.gz	VBWJYUNWDCEQKC-RAXLEYEMSA-N	-1	0	363.439	3.382	40	0		FGABRM
COc1cc(/C=C/C(=O)NCCC(=O)[O-])ccc1OCc1ccccc1C	ZINC000062715169	494021496	/nfs/dbraw/zinc/02/14/96/494021496.db2.gz	KKKPJBVSSWEENQ-CSKARUKUSA-N	-1	0	369.417	3.187	40	0		FGABRM
O=C([O-])c1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1	ZINC000007882235	494049640	/nfs/dbraw/zinc/04/96/40/494049640.db2.gz	RJXRILSHESEGQC-GFCCVEGCSA-N	-1	0	358.781	3.030	40	0		FGABRM
O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(-c2ccccc2)o1	ZINC000008477399	494092213	/nfs/dbraw/zinc/09/22/13/494092213.db2.gz	TVBUCYZYCAPXBG-FOWTUZBSSA-N	-1	0	350.374	3.351	40	0		FGABRM
CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)Cc1ccccc1	ZINC000071980424	494114280	/nfs/dbraw/zinc/11/42/80/494114280.db2.gz	MCWVTWJDHSWISR-BQIYRTECSA-N	-1	0	359.466	3.474	40	0		FGABRM
COc1cccc(CN2CCC[C@H]2c2cncc([N-]c3nncs3)n2)c1	ZINC000072376262	494159696	/nfs/dbraw/zinc/15/96/96/494159696.db2.gz	LAFUTPRVYUHJHG-INIZCTEOSA-N	-1	0	368.466	3.417	40	0		FGABRM
CCCCC[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000013515576	494288034	/nfs/dbraw/zinc/28/80/34/494288034.db2.gz	PXGPLTODNUVGFL-YXDBKDBZSA-N	-1	0	354.487	3.043	40	0	in-vitro	FGABRM
CCCCC[C@H](O)/C=C\[C@@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000013515575	494288453	/nfs/dbraw/zinc/28/84/53/494288453.db2.gz	PXGPLTODNUVGFL-JFTAKXSGSA-N	-1	0	354.487	3.043	40	0	in-vitro	FGABRM
CC/C=C/C[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C\CCCC(=O)[O-])C[C@H]12	ZINC000013521652	494288579	/nfs/dbraw/zinc/28/85/79/494288579.db2.gz	NCYSTSFUYSFMEO-GMNOIBQGSA-N	-1	0	350.455	3.185	40	0		FGABRM
Cc1cccc(C)c1N1C(=O)C[C@H](Sc2ccccc2C(=O)[O-])C1=O	ZINC000016899699	494403590	/nfs/dbraw/zinc/40/35/90/494403590.db2.gz	IQUFLYQQNVREAR-HNNXBMFYSA-N	-1	0	355.415	3.426	40	0		FGABRM
CCCc1cc(-c2cc(=O)n3[n-]cc(C(=O)Nc4ccccc4)c3n2)no1	ZINC000019525431	494447080	/nfs/dbraw/zinc/44/70/80/494447080.db2.gz	UPJYCOXDUFWWJJ-UHFFFAOYSA-N	-1	0	363.377	3.295	40	0		FGABRM
CC/C=C\C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@H]1CCCCCCC(=O)[O-]	ZINC000095644641	494989882	/nfs/dbraw/zinc/98/98/82/494989882.db2.gz	OFPLGKUICBQJOS-AMFHYMARSA-N	-1	0	352.471	3.251	40	0	in-vitro	FGABRM
CC(C)(C)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1C(=O)[O-]	ZINC000217578766	496998219	/nfs/dbraw/zinc/99/82/19/496998219.db2.gz	GBIVRLDBWAMWGD-UHFFFAOYSA-N	-1	0	354.472	3.206	40	0		FGABRM
CCC[C@@H](C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)CCC	ZINC000217527777	496998582	/nfs/dbraw/zinc/99/85/82/496998582.db2.gz	BCOHTTAQJCIMTE-OLZOCXBDSA-N	-1	0	356.488	3.452	40	0		FGABRM
CC(C)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1NC1CCCCC1	ZINC000217423370	496998709	/nfs/dbraw/zinc/99/87/09/496998709.db2.gz	QYFYYXKWVDXTCX-UHFFFAOYSA-N	-1	0	354.472	3.064	40	0		FGABRM
CCC[C@H](C)NS(=O)(=O)c1ccc(NC2CCCC2)c(C(=O)[O-])c1	ZINC000217657157	496999145	/nfs/dbraw/zinc/99/91/45/496999145.db2.gz	KDBVEABVBWQLDX-LBPRGKRZSA-N	-1	0	354.472	3.206	40	0		FGABRM
CC(C)CCNS(=O)(=O)c1ccc(NC2CCCC2)c(C(=O)[O-])c1	ZINC000217652520	496999296	/nfs/dbraw/zinc/99/92/96/496999296.db2.gz	WNBCWJKMDJAXTA-UHFFFAOYSA-N	-1	0	354.472	3.064	40	0		FGABRM
Cc1cccc(C)c1[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl	ZINC000223324411	497035835	/nfs/dbraw/zinc/03/58/35/497035835.db2.gz	DDDDNDBHBJYCKC-UHFFFAOYSA-N	-1	0	352.799	3.192	40	0		FGABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2cc(Cl)ccc2OC)c1	ZINC000243697537	497360923	/nfs/dbraw/zinc/36/09/23/497360923.db2.gz	PKRDHFFAHLULRL-UHFFFAOYSA-N	-1	0	357.815	3.167	40	0		FGABRM
O=C([O-])c1ccccc1-c1ccc(CN2CCO[C@H](c3ccncn3)C2)o1	ZINC000257322509	497403695	/nfs/dbraw/zinc/40/36/95/497403695.db2.gz	WGGKKBNDDIJTNA-IBGZPJMESA-N	-1	0	365.389	3.008	40	0		FGABRM
CCC(=O)Nc1cc(S(=O)(=O)Nc2cc(C)ccc2C)ccc1OC	ZINC000408699664	499593786	/nfs/dbraw/zinc/59/37/86/499593786.db2.gz	YLGAFRRGAKHLPV-UHFFFAOYSA-N	-1	0	362.451	3.461	40	0		FGABRM
Cc1cccc(NC(=O)[C@H](Cc2ccccc2)[N-]C(=O)C(F)(F)F)c1	ZINC000408719216	499594219	/nfs/dbraw/zinc/59/42/19/499594219.db2.gz	APFSLVMFARXFKM-HNNXBMFYSA-N	-1	0	350.340	3.223	40	0		FGABRM
O=C1[N-]C(=O)/C(=C\c2ccccc2OCc2ccc(Br)cc2)N1	ZINC000408917518	499595306	/nfs/dbraw/zinc/59/53/06/499595306.db2.gz	WCBRYISWTWDAGG-NTEUORMPSA-N	-1	0	373.206	3.208	40	0		FGABRM
COc1cc(C(=O)[O-])cc(OC)c1OCC(=O)Nc1ccc(C)c(C)c1	ZINC000217731613	568200668	/nfs/dbraw/zinc/20/06/68/568200668.db2.gz	CHHUYSWPGFIDMG-UHFFFAOYSA-N	-1	0	359.378	3.036	40	0		FGABRM
O=C([O-])c1cc2c(I)cccc2nc1OCC1CC1	ZINC000685936800	571318989	/nfs/dbraw/zinc/31/89/89/571318989.db2.gz	AELXUERFNOQSHJ-UHFFFAOYSA-N	-1	0	369.158	3.326	40	0		FGABRM
COc1ccc(C(=O)[O-])cc1NC(=O)CSc1nc2ccccc2[nH]1	ZINC000261526861	210006410	/nfs/dbraw/zinc/00/64/10/210006410.db2.gz	NNASYUHIHORFHW-UHFFFAOYSA-N	-1	0	357.391	3.001	40	0		FGABRM
COc1ccc(OC)c(/C=C(\NC(=O)OCc2ccccc2)C(=O)[O-])c1	ZINC000044137666	209314708	/nfs/dbraw/zinc/31/47/08/209314708.db2.gz	OQZSRLCRXPNJDN-WJDWOHSUSA-N	-1	0	357.362	3.056	40	0		FGABRM
COc1cccc2c1ccn2CCC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000101659779	209229461	/nfs/dbraw/zinc/22/94/61/209229461.db2.gz	JCRTWKHTJDZBMT-GASCZTMLSA-N	-1	0	358.438	3.047	40	0		FGABRM
Cc1[n-]n2c(nc([C@@H]3CC(=O)N(C)C3)cc2=O)c1-c1ccc(Cl)cc1	ZINC000100775818	209217062	/nfs/dbraw/zinc/21/70/62/209217062.db2.gz	IFEBWSVJAZWBTB-GFCCVEGCSA-N	-1	0	356.813	3.009	40	0		FGABRM
Cc1[n-]n2c(nc(Cc3c(C)nc(C)[nH]c3=O)cc2=O)c1-c1ccccc1	ZINC000100776421	209217073	/nfs/dbraw/zinc/21/70/73/209217073.db2.gz	XXVSIMJVPMTGTE-UHFFFAOYSA-N	-1	0	361.405	3.114	40	0		FGABRM
CC(C)(C)C(=O)NC(=S)Nc1ccc(Br)cc1C(=O)[O-]	ZINC000006563276	206693944	/nfs/dbraw/zinc/69/39/44/206693944.db2.gz	QMRFFVOZXUICFJ-UHFFFAOYSA-N	-1	0	359.245	3.006	40	0		FGABRM
CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000005978215	206800361	/nfs/dbraw/zinc/80/03/61/206800361.db2.gz	XEYBRNLFEZDVAW-GLWBPFKVSA-N	-1	0	352.471	3.251	40	0	in-vitro	FGABRM
COc1ccc(OC)c(NC(=O)[C@@H]2[C@H]3CC[C@H](C3=C(C)C)[C@@H]2C(=O)[O-])c1	ZINC000005631491	207109155	/nfs/dbraw/zinc/10/91/55/207109155.db2.gz	VXFWUBASHMOLJV-DECQCQTCSA-N	-1	0	359.422	3.336	40	0		FGABRM
O=C([N-]n1c(Cc2cccs2)nc2ccccc2c1=O)c1ccco1	ZINC000035315283	207130167	/nfs/dbraw/zinc/13/01/67/207130167.db2.gz	HUZKKQYPBGECJV-UHFFFAOYSA-N	-1	0	351.387	3.026	40	0		FGABRM
CCCCC[C@](C)(O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000016343305	207584557	/nfs/dbraw/zinc/58/45/57/207584557.db2.gz	DLJKPYFALUEJCK-IIELGFQLSA-N	-1	0	368.514	3.433	40	0	in-man	FGABRM
COc1cccc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)[O-])c2)c1	ZINC000004657400	208755060	/nfs/dbraw/zinc/75/50/60/208755060.db2.gz	YJOGCPFPWBFJHJ-UHFFFAOYSA-N	-1	0	364.810	3.174	40	0		FGABRM
O=C([O-])[C@H]1COC2(CCCCC2)N1C(=O)c1ccc(C(F)(F)F)cc1	ZINC000071979766	208792513	/nfs/dbraw/zinc/79/25/13/208792513.db2.gz	NDVPRSPEVYFYMA-CYBMUJFWSA-N	-1	0	357.328	3.291	40	0		FGABRM
COc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)ccc1OCc1ccc(C)cc1	ZINC000000807735	493773746	/nfs/dbraw/zinc/77/37/46/493773746.db2.gz	OLLMFCQVPPGTLQ-MAUKXSAKSA-N	-1	0	359.447	3.371	40	0		FGABRM
COc1cc([C@H]2N[C@H](C(=O)[O-])CS2)ccc1OCc1ccc(C)cc1	ZINC000000807734	493773839	/nfs/dbraw/zinc/77/38/39/493773839.db2.gz	OLLMFCQVPPGTLQ-YJBOKZPZSA-N	-1	0	359.447	3.371	40	0		FGABRM
O=C([O-])/C=C/C(=O)Nc1cc2c(cc1Br)-c1ccccc1[C@@H]2O	ZINC000001693077	493798254	/nfs/dbraw/zinc/79/82/54/493798254.db2.gz	BFRKFETWKLONCI-RTRPANQVSA-N	-1	0	374.190	3.091	40	0		FGABRM
COc1ccccc1/N=C1/NC(=O)/C(=C/c2cc([N+](=O)[O-])ccc2[O-])S1	ZINC000005662124	493939004	/nfs/dbraw/zinc/93/90/04/493939004.db2.gz	OAZLRMNUVIXCFB-DHDCSXOGSA-N	-1	0	371.374	3.201	40	0		FGABRM
CCCCCCOc1ccc(Cl)cc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000006050894	493949384	/nfs/dbraw/zinc/94/93/84/493949384.db2.gz	NVNXFOUVXJEBMV-UHFFFAOYSA-N	-1	0	350.802	3.049	40	0		FGABRM
CC(C)(C)OC(=O)N[C@@](C)(C(=O)[O-])c1ccc(Br)s1	ZINC000083259247	494013832	/nfs/dbraw/zinc/01/38/32/494013832.db2.gz	XLADVEKTWPEECC-GFCCVEGCSA-N	-1	0	350.234	3.335	40	0		FGABRM
O=C([O-])COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc1	ZINC000033783280	494063271	/nfs/dbraw/zinc/06/32/71/494063271.db2.gz	CJROWLMMPHRQCM-UHFFFAOYSA-N	-1	0	370.430	3.384	40	0		FGABRM
O=C(C1CCCCC1)N1CCC[C@H]1c1ccnc([N-]c2ncccn2)n1	ZINC000072377674	494159991	/nfs/dbraw/zinc/15/99/91/494159991.db2.gz	ALWGVZRHJLRINO-INIZCTEOSA-N	-1	0	352.442	3.254	40	0		FGABRM
COCc1[n-]n2c(nc(COc3ccccn3)cc2=O)c1-c1ccccc1	ZINC000072391384	494161982	/nfs/dbraw/zinc/16/19/82/494161982.db2.gz	GUNWTYFNYCSEFZ-UHFFFAOYSA-N	-1	0	362.389	3.222	40	0		FGABRM
O=c1c2c(nc3cc(C4CC4)[n-]n31)CCN(Cc1cc(F)ccc1F)C2	ZINC000012667102	494249529	/nfs/dbraw/zinc/24/95/29/494249529.db2.gz	DXCQWFUVXFSBQL-UHFFFAOYSA-N	-1	0	356.376	3.149	40	0		FGABRM
Cc1ccc2[nH]c(SCC(=O)Nc3ccc(CC(=O)[O-])cc3)nc2c1	ZINC000013241060	494282545	/nfs/dbraw/zinc/28/25/45/494282545.db2.gz	LXBGZIADEQFPQC-UHFFFAOYSA-N	-1	0	355.419	3.229	40	0		FGABRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)c1ccc2c(c1)OCCO2	ZINC000020140737	494467382	/nfs/dbraw/zinc/46/73/82/494467382.db2.gz	QLWCQZVFJJGQGV-UHFFFAOYSA-N	-1	0	363.753	3.070	40	0		FGABRM
Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(C)c(O)c(C(=O)[O-])c2)c1	ZINC000020152170	494468802	/nfs/dbraw/zinc/46/88/02/494468802.db2.gz	RAMXDQJMNHFVOP-UHFFFAOYSA-N	-1	0	358.419	3.142	40	0		FGABRM
C[C@@H](NC(=O)c1ccccn1)c1onc(-c2ccc(F)cc2)c1C(=O)[O-]	ZINC000096296980	495009851	/nfs/dbraw/zinc/00/98/51/495009851.db2.gz	RTUYMXZXUMTDHQ-SNVBAGLBSA-N	-1	0	355.325	3.065	40	0	biogenic,in-vitro	FGABRM
CCn1c2cc(Cl)c(S(=O)(=O)[N-]c3ccccc3)cc2oc1=O	ZINC000203260668	496973275	/nfs/dbraw/zinc/97/32/75/496973275.db2.gz	WTKIQFLMSLHLQD-UHFFFAOYSA-N	-1	0	352.799	3.069	40	0		FGABRM
CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1NC1CCCCC1	ZINC000217427765	496998042	/nfs/dbraw/zinc/99/80/42/496998042.db2.gz	YBNLDMISLXYBEJ-GFCCVEGCSA-N	-1	0	354.472	3.206	40	0		FGABRM
CCC[C@@H](C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)CCC	ZINC000217527957	496998743	/nfs/dbraw/zinc/99/87/43/496998743.db2.gz	BCOHTTAQJCIMTE-CHWSQXEVSA-N	-1	0	356.488	3.452	40	0		FGABRM
Cc1ccc([C@@H]2[C@H](C(=O)[O-])[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000218427559	497002804	/nfs/dbraw/zinc/00/28/04/497002804.db2.gz	PICRZOMRQJDPHX-OWCLPIDISA-N	-1	0	350.823	3.289	40	0		FGABRM
CCCCc1ccc([N-]S(=O)(=O)c2nnc(NC(=O)CC)s2)cc1	ZINC000222999616	497031617	/nfs/dbraw/zinc/03/16/17/497031617.db2.gz	PCDUJZLGSPMHMO-UHFFFAOYSA-N	-1	0	368.484	3.030	40	0		FGABRM
Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(Cl)c3)[C@H]2C(=O)[O-])cc1	ZINC000225654808	497070679	/nfs/dbraw/zinc/07/06/79/497070679.db2.gz	WNJINEPEOLFLIC-XHSDSOJGSA-N	-1	0	350.823	3.289	40	0		FGABRM
CCN(CC)C(=O)COc1ccc(-c2nc3cc(C(=O)[O-])ccc3[nH]2)cc1	ZINC000256028159	497381773	/nfs/dbraw/zinc/38/17/73/497381773.db2.gz	WWMUZCLOQUJEPP-UHFFFAOYSA-N	-1	0	367.405	3.175	40	0		FGABRM
O=C([O-])c1nn(-c2ccccc2Cl)nc1N1CCc2ccccc2C1	ZINC000256047008	497382983	/nfs/dbraw/zinc/38/29/83/497382983.db2.gz	JPLVGWGKAJWFNU-UHFFFAOYSA-N	-1	0	354.797	3.182	40	0		FGABRM
CCc1nnc([N-]c2cc([C@H]3CCCN3Cc3cc[nH]n3)nc(C)n2)s1	ZINC000257303789	209991366	/nfs/dbraw/zinc/99/13/66/209991366.db2.gz	SISUIZMGRUIVPJ-CQSZACIVSA-N	-1	0	370.486	3.003	40	0		FGABRM
CCCCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCCCC	ZINC000217517134	209657106	/nfs/dbraw/zinc/65/71/06/209657106.db2.gz	MNPQFGMFLILUHX-UHFFFAOYSA-N	-1	0	356.488	3.455	40	0		FGABRM
Cc1ccc(N[C@@H]2CC(=O)N(c3cc(C(=O)[O-])ccc3C)C2=O)c(C)c1	ZINC000101275002	209223156	/nfs/dbraw/zinc/22/31/56/209223156.db2.gz	IMXYAYGLKXXCGD-MRXNPFEDSA-N	-1	0	352.390	3.054	40	0		FGABRM
Cc1cccc(C)c1N1C(=O)C[C@@H](Sc2ccccc2C(=O)[O-])C1=O	ZINC000101273963	209223081	/nfs/dbraw/zinc/22/30/81/209223081.db2.gz	IQUFLYQQNVREAR-OAHLLOKOSA-N	-1	0	355.415	3.426	40	0		FGABRM
Cc1n[nH]c(C)c1CCc1cc(=O)n2[n-]cc(-c3ccc(F)cc3)c2n1	ZINC000100775508	209217666	/nfs/dbraw/zinc/21/76/66/209217666.db2.gz	RITQAHOEJVXWIF-UHFFFAOYSA-N	-1	0	351.385	3.366	40	0		FGABRM
CCOC(=O)c1cc(C)sc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)[O-]	ZINC000006656045	207152020	/nfs/dbraw/zinc/15/20/20/207152020.db2.gz	ROMMXGFGJTUBFT-XWUBHJNHSA-N	-1	0	363.435	3.085	40	0		FGABRM
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ccccc2Oc2ccccc2)[C@H]2C=C[C@@H]1O2	ZINC000006731237	207158199	/nfs/dbraw/zinc/15/81/99/207158199.db2.gz	NXZHFGKDCHEKME-OWSLCNJRSA-N	-1	0	351.358	3.072	40	0		FGABRM
Cc1cccc(-n2[n-]c(CSc3nnnn3-c3ccccc3)cc2=O)c1	ZINC000010157371	207296673	/nfs/dbraw/zinc/29/66/73/207296673.db2.gz	XLKSKMHYCWZOPP-UHFFFAOYSA-N	-1	0	364.434	3.154	40	0		FGABRM
O=C([O-])CSc1nnc2n(Cc3ccc(F)cc3)c3ccccc3n12	ZINC000004891054	493898733	/nfs/dbraw/zinc/89/87/33/493898733.db2.gz	PYSVUQYEEAJYAN-UHFFFAOYSA-N	-1	0	356.382	3.048	40	0		FGABRM
CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OCC)cc1	ZINC000006316206	493959203	/nfs/dbraw/zinc/95/92/03/493959203.db2.gz	QRMGRHWEGBYDRT-UHFFFAOYSA-N	-1	0	362.451	3.026	40	0		FGABRM
CCOc1ccc(/C=C(\Sc2nnc(CC)o2)C(=O)[O-])cc1OC	ZINC000007342695	494017079	/nfs/dbraw/zinc/01/70/79/494017079.db2.gz	RDZXLZHNWDUIPW-LCYFTJDESA-N	-1	0	350.396	3.257	40	0		FGABRM
COc1cc(/C=C/C(=O)N[C@@H](C)C(=O)[O-])ccc1OCc1ccccc1C	ZINC000062715165	494021349	/nfs/dbraw/zinc/02/13/49/494021349.db2.gz	ZDZNQCJLMPRZKE-GDXASINISA-N	-1	0	369.417	3.185	40	0		FGABRM
CCc1nnc(S/C(=C\c2cc3c(cc2Cl)OCO3)C(=O)[O-])o1	ZINC000007603392	494029804	/nfs/dbraw/zinc/02/98/04/494029804.db2.gz	LWBCYAVJYQZQQY-WCIBSUBMSA-N	-1	0	354.771	3.232	40	0		FGABRM
Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)[O-])cc3)CC2=O)cc1Cl	ZINC000007881781	494049367	/nfs/dbraw/zinc/04/93/67/494049367.db2.gz	FGYIZKQFSDCTNJ-CYBMUJFWSA-N	-1	0	372.808	3.338	40	0		FGABRM
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1	ZINC000008477366	494092296	/nfs/dbraw/zinc/09/22/96/494092296.db2.gz	VPTKTUQHYDJVIC-LVLBFHFTSA-N	-1	0	356.422	3.268	40	0		FGABRM
Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)CCCC(=O)[O-])C1	ZINC000008636063	494098328	/nfs/dbraw/zinc/09/83/28/494098328.db2.gz	DDIVSUMZTBAXSY-IAGOWNOFSA-N	-1	0	367.449	3.272	40	0	biogenic,in-vitro	FGABRM
CCCCC[C@H](O)/C=C\[C@@H]1[C@@H](C/C=C/CCCC(=O)[O-])[C@@H](O)C[C@@H]1O	ZINC000013509286	494288045	/nfs/dbraw/zinc/28/80/45/494288045.db2.gz	PXGPLTODNUVGFL-ZFLLEIRUSA-N	-1	0	354.487	3.043	40	0		FGABRM
CCOc1cc(OCC)cc(C(=O)Nc2cc(C)c(O)c(C(=O)[O-])c2)c1	ZINC000020143368	494467748	/nfs/dbraw/zinc/46/77/48/494467748.db2.gz	LWGGJLSUSLELTG-UHFFFAOYSA-N	-1	0	359.378	3.449	40	0		FGABRM
Cc1nc2sc([C@H](c3cccc(C)c3)N3C[C@@H](C)O[C@H](C)C3)c([O-])n2n1	ZINC000022626722	494529384	/nfs/dbraw/zinc/52/93/84/494529384.db2.gz	CXDQOYMOKGYSCU-IOASZLSFSA-N	-1	0	372.494	3.312	40	0		FGABRM
CC(=O)N(c1nc(/C=C/c2ncc(C(=O)[O-])c(C(C)C)n2)cs1)C1CC1	ZINC000172555045	496339089	/nfs/dbraw/zinc/33/90/89/496339089.db2.gz	ZDKNKMDPRCJBLU-QPJJXVBHSA-N	-1	0	372.450	3.440	40	0		FGABRM
CCC[C@@H](C)Nc1ccc(S(=O)(=O)NC2CCCC2)cc1C(=O)[O-]	ZINC000217577744	496998608	/nfs/dbraw/zinc/99/86/08/496998608.db2.gz	OXNVBOGQAPOZOM-GFCCVEGCSA-N	-1	0	354.472	3.206	40	0		FGABRM
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1nc2c(s1)CCCC2	ZINC000223254037	497034369	/nfs/dbraw/zinc/03/43/69/497034369.db2.gz	FOWGNCJGUZTLNG-UHFFFAOYSA-N	-1	0	358.872	3.485	40	0		FGABRM
COc1ccc(F)cc1S(=O)(=O)[N-]c1nnc(-c2ccccc2)s1	ZINC000225868051	497078105	/nfs/dbraw/zinc/07/81/05/497078105.db2.gz	ANPIUQOQOCEQMV-UHFFFAOYSA-N	-1	0	365.411	3.154	40	0		FGABRM
O=C([O-])[C@@H]1[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000252514067	497309186	/nfs/dbraw/zinc/30/91/86/497309186.db2.gz	BBGKUGWNEADOPG-RRFJBIMHSA-N	-1	0	354.786	3.120	40	0		FGABRM
CC1CCN(c2nn(-c3ccccc3C(F)(F)F)nc2C(=O)[O-])CC1	ZINC000256049033	497382424	/nfs/dbraw/zinc/38/24/24/497382424.db2.gz	XUYFMZIQLZUNCR-UHFFFAOYSA-N	-1	0	354.332	3.221	40	0		FGABRM
CC/C=C/C[C@H](O)/C=C\[C@@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000299888268	497928595	/nfs/dbraw/zinc/92/85/95/497928595.db2.gz	CBOMORHDRONZRN-MJEHXDTOSA-N	-1	0	350.455	3.027	40	0		FGABRM
CCCCCNc1ccc(S(=O)(=O)NC2CCCC2)cc1C(=O)[O-]	ZINC000217577510	520229215	/nfs/dbraw/zinc/22/92/15/520229215.db2.gz	ZTEDYDZRLSHPKV-UHFFFAOYSA-N	-1	0	354.472	3.208	40	0		FGABRM
CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2cc3n(n2)CCC3)C1	ZINC000656612610	571320917	/nfs/dbraw/zinc/32/09/17/571320917.db2.gz	HIHJIQYDNGWLOX-UVTDQMKNSA-N	-1	0	374.444	3.452	40	0		FGABRM
Cc1noc(C)c1N(C)C(=O)C[C@](C)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000634905228	717129170	/nfs/dbraw/zinc/12/91/70/717129170.db2.gz	JNLLNHUTEDUTJK-KRWDZBQOSA-N	-1	0	350.802	3.340	40	0		FGABRM
O=C([O-])[C@H]1OCC(=O)N(Cc2cccc(F)c2)[C@@H]1c1ccc(Cl)cc1	ZINC000257329087	210000284	/nfs/dbraw/zinc/00/02/84/210000284.db2.gz	XIIKYTSPCZBOOM-SJORKVTESA-N	-1	0	363.772	3.032	40	0		FGABRM
C[C@@H](NC(=O)NC1CCCCC1)c1onc(-c2cccnc2)c1C(=O)[O-]	ZINC000096113235	209883052	/nfs/dbraw/zinc/88/30/52/209883052.db2.gz	YVLOPRACCBHFNY-LLVKDONJSA-N	-1	0	358.398	3.128	40	0	biogenic,in-vitro	FGABRM
O=C([O-])CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1	ZINC000225138966	209800360	/nfs/dbraw/zinc/80/03/60/209800360.db2.gz	UTGNIQZKPODQTF-UHFFFAOYSA-N	-1	0	366.247	3.335	40	0		FGABRM
COc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)ccc1OCc1ccccc1F	ZINC000000807747	209377179	/nfs/dbraw/zinc/37/71/79/209377179.db2.gz	KLPWHUAYTUWVLV-WMLDXEAASA-N	-1	0	363.410	3.202	40	0		FGABRM
C[C@H]1C[C@H](O)[C@@H]2[C@@](C)(C(=O)[O-])CCC[C@]2(C)[C@]1(O)CCc1ccoc1	ZINC000104360349	209260688	/nfs/dbraw/zinc/26/06/88/209260688.db2.gz	XNJHGRHUXRWGMG-XZFDSJMBSA-N	-1	0	350.455	3.241	40	0		FGABRM
Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c1	ZINC000005598827	207107464	/nfs/dbraw/zinc/10/74/64/207107464.db2.gz	WOBUGKVVQCMEAM-UHFFFAOYSA-N	-1	0	367.430	3.443	40	0		FGABRM
O=C([O-])[C@@H](Cc1ccc(O)cc1)NC(=O)CC12CC3CC(CC(C3)C1)C2	ZINC000010272131	207297577	/nfs/dbraw/zinc/29/75/77/207297577.db2.gz	YXWJSUCRUSKCFQ-DIKOGFFKSA-N	-1	0	357.450	3.111	40	0		FGABRM
O=C([O-])c1c(F)c(Br)c(F)cc1I	ZINC000036532815	208163132	/nfs/dbraw/zinc/16/31/32/208163132.db2.gz	ZXXAVLHWVAKSOO-UHFFFAOYSA-N	-1	0	362.895	3.030	40	0		FGABRM
Cc1cccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c1C	ZINC000409123912	263531265	/nfs/dbraw/zinc/53/12/65/263531265.db2.gz	FTSKVGKUMOBLKS-OQLLNIDSSA-N	-1	0	356.403	3.215	40	0		FGABRM
O=C(NCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1cccs1	ZINC000007027520	493994709	/nfs/dbraw/zinc/99/47/09/493994709.db2.gz	UVEZSWAYMWGPMY-UHFFFAOYSA-N	-1	0	372.471	3.479	40	0		FGABRM
O=C([O-])[C@@H]1COC2(CCCCC2)N1C(=O)c1ccc(C(F)(F)F)cc1	ZINC000071979765	494114226	/nfs/dbraw/zinc/11/42/26/494114226.db2.gz	NDVPRSPEVYFYMA-ZDUSSCGKSA-N	-1	0	357.328	3.291	40	0		FGABRM
COc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1Br	ZINC000013317223	494285564	/nfs/dbraw/zinc/28/55/64/494285564.db2.gz	ALJXOSCVDIOBDK-UHFFFAOYSA-N	-1	0	364.195	3.086	40	0		FGABRM
CCCCC[C@H](O)/C=C\[C@@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@@H](O)C[C@@H]1O	ZINC000013509282	494288129	/nfs/dbraw/zinc/28/81/29/494288129.db2.gz	PXGPLTODNUVGFL-XMDVSQSTSA-N	-1	0	354.487	3.043	40	0		FGABRM
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCCC(=O)[O-])cc1	ZINC000044022276	494335632	/nfs/dbraw/zinc/33/56/32/494335632.db2.gz	HUDPDNJSHLYMLA-AWWQTPIYSA-N	-1	0	356.422	3.142	40	0		FGABRM
COc1ccc(S(=O)(=O)[N-]c2ccccc2OC(C)C)cc1OC	ZINC000055590357	494368729	/nfs/dbraw/zinc/36/87/29/494368729.db2.gz	JXZZMLMUFPQTBG-UHFFFAOYSA-N	-1	0	351.424	3.292	40	0		FGABRM
Cc1sc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2O3)nc1-c1ccc(C)cc1	ZINC000017076259	494408080	/nfs/dbraw/zinc/40/80/80/494408080.db2.gz	HXFJUGYORBSKGD-XGUBFFRZSA-N	-1	0	372.446	3.244	40	0		FGABRM
CS(=O)(=O)[N-]c1ccccc1C(=O)NCc1cccc2ccccc21	ZINC000074377506	494527290	/nfs/dbraw/zinc/52/72/90/494527290.db2.gz	IWDXXSAOTJEBLQ-UHFFFAOYSA-N	-1	0	354.431	3.141	40	0		FGABRM
COc1cc(-c2c/c(=N\CC(=O)[O-])c3cc(C)c(C)cc3o2)ccc1O	ZINC000024007576	494595150	/nfs/dbraw/zinc/59/51/50/494595150.db2.gz	DBJBWTFXFYNTAI-RCCKNPSSSA-N	-1	0	353.374	3.416	40	0		FGABRM
CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](C(=O)[O-])c2cc3ccccc3o2)C1	ZINC000215752276	496983899	/nfs/dbraw/zinc/98/38/99/496983899.db2.gz	UAPKFNWHBNHYLU-XJKSGUPXSA-N	-1	0	360.410	3.158	40	0		FGABRM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1	ZINC000223826606	497042675	/nfs/dbraw/zinc/04/26/75/497042675.db2.gz	KIGZUNOJCQKYBX-UHFFFAOYSA-N	-1	0	369.826	3.326	40	0		FGABRM
CCSc1nnc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)s1	ZINC000225768361	497074825	/nfs/dbraw/zinc/07/48/25/497074825.db2.gz	FYTSUCRGMJUNCI-UHFFFAOYSA-N	-1	0	359.498	3.076	40	0		FGABRM
CCN(Cc1ccccc1)c1nn(-c2cccc(OC)c2)nc1C(=O)[O-]	ZINC000256047044	497382745	/nfs/dbraw/zinc/38/27/45/497382745.db2.gz	JYARUBIKPKOSJR-UHFFFAOYSA-N	-1	0	352.394	3.001	40	0		FGABRM
CCOc1ccc(Nc2cc(-c3ccccc3)nc(NCC(=O)[O-])n2)cc1	ZINC000328994510	499009540	/nfs/dbraw/zinc/00/95/40/499009540.db2.gz	JEZWAQLXQIMMBH-UHFFFAOYSA-N	-1	0	364.405	3.204	40	0		FGABRM
CCC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1OC	ZINC000408696900	499593813	/nfs/dbraw/zinc/59/38/13/499593813.db2.gz	FYHCFOSTVKMASI-UHFFFAOYSA-N	-1	0	368.842	3.498	40	0		FGABRM
Cc1cc(NC(=S)NC(=O)c2cccc(Cl)c2)cc(C(=O)[O-])c1O	ZINC000020151839	570913223	/nfs/dbraw/zinc/91/32/23/570913223.db2.gz	PZZKYDIIVTXYMP-UHFFFAOYSA-N	-1	0	364.810	3.179	40	0		FGABRM
COC(=O)c1c([S-])nc(-c2ccccc2)n(-c2ccc(C)cc2)c1=O	ZINC000103203105	210158419	/nfs/dbraw/zinc/15/84/19/210158419.db2.gz	PGKTWSQAPMCVLJ-UHFFFAOYSA-N	-1	0	352.415	3.283	40	0		FGABRM
CNc1nc(Nc2cc(Cl)c([O-])c(Cl)c2)cc(-c2cccnc2)n1	ZINC000329013958	210131786	/nfs/dbraw/zinc/13/17/86/210131786.db2.gz	MSPMVBDQMDBVSD-UHFFFAOYSA-N	-1	0	362.220	3.180	40	0		FGABRM
CCn1c(C)nc2cc(C(=O)N(CC(=O)[O-])Cc3ccc(C)cc3)ccc21	ZINC000257269023	223043727	/nfs/dbraw/zinc/04/37/27/223043727.db2.gz	MOFZTQQIWNOFRF-UHFFFAOYSA-N	-1	0	365.433	3.400	40	0		FGABRM
CCc1nnc([N-]c2cc([C@H]3CCCN3Cc3c[nH]cn3)nc(C)n2)s1	ZINC000257312714	223062473	/nfs/dbraw/zinc/06/24/73/223062473.db2.gz	UPFVHYCRFSBKIT-CQSZACIVSA-N	-1	0	370.486	3.003	40	0		FGABRM
O=C([O-])c1cc(Cl)ccc1NC(=S)NC(=O)c1ccc(F)cc1	ZINC000016400893	220184127	/nfs/dbraw/zinc/18/41/27/220184127.db2.gz	XONCGZISKXCFQP-UHFFFAOYSA-N	-1	0	352.774	3.304	40	0		FGABRM
CCCCC[C@H](O)[C@H](O)/C=C/C=C/C=C/C=C/[C@@H](O)CCCC(=O)[O-]	ZINC000038191980	211698275	/nfs/dbraw/zinc/69/82/75/211698275.db2.gz	UXVRTOKOJOMENI-QCFBDAGRSA-N	-1	0	352.471	3.129	40	0		FGABRM
CCCCC[C@H](O)/C=C\[C@@H]1[C@H](O)C[C@H]2O/C(=C/CCCC(=O)[O-])C[C@@H]21	ZINC000037541156	211682083	/nfs/dbraw/zinc/68/20/83/211682083.db2.gz	KAQKFAOMNZTLHT-PVGJQDDRSA-N	-1	0	352.471	3.409	40	0		FGABRM
O=C([O-])c1ccc(CN2CCOC[C@H]2c2nc(-c3ccccc3)c[nH]2)cc1	ZINC000067898618	211286550	/nfs/dbraw/zinc/28/65/50/211286550.db2.gz	KHYLHAZVRRPWSS-IBGZPJMESA-N	-1	0	363.417	3.348	40	0	biogenic,in-vitro	FGABRM
CCCCC[C@H](O)/C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000013541362	211039067	/nfs/dbraw/zinc/03/90/67/211039067.db2.gz	PXGPLTODNUVGFL-RVEIBMIBSA-N	-1	0	354.487	3.043	40	0		FGABRM
Cc1ccccc1Oc1ccc(S(=O)(=O)NCCCCC(=O)[O-])cc1	ZINC000001795974	210370886	/nfs/dbraw/zinc/37/08/86/210370886.db2.gz	KKNJBFQYAATBEV-UHFFFAOYSA-N	-1	0	363.435	3.321	40	0		FGABRM
O=C([O-])[C@H]1CC(=O)N(c2cc(C(F)(F)F)ccc2N2CCCCC2)C1	ZINC000045888134	132375340	/nfs/dbraw/zinc/37/53/40/132375340.db2.gz	NYRCOJIDYLABKT-NSHDSACASA-N	-1	0	356.344	3.133	40	0		FGABRM
CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1	ZINC000009550339	136151985	/nfs/dbraw/zinc/15/19/85/136151985.db2.gz	WTURWBXAJVTMCZ-UHFFFAOYSA-N	-1	0	373.478	3.301	40	0		FGABRM
Cc1ccc(C)c(N[C@@H]2CC(=O)N(c3cc(C(=O)[O-])ccc3C)C2=O)c1	ZINC000101275004	222266777	/nfs/dbraw/zinc/26/67/77/222266777.db2.gz	KUKUIZBIXJQBBS-MRXNPFEDSA-N	-1	0	352.390	3.054	40	0		FGABRM
O=C([O-])c1ccc(Cl)cc1NC=Cc1nnnn1-c1ccc(F)cc1	ZINC000101004026	222259123	/nfs/dbraw/zinc/25/91/23/222259123.db2.gz	YMMOAMHWGIFMBB-BQYQJAHWSA-N	-1	0	359.748	3.236	40	0		FGABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC3CC3)ccc2Cl)c1	ZINC000006416164	263345130	/nfs/dbraw/zinc/34/51/30/263345130.db2.gz	ZWDUVGIHZSSZAX-UHFFFAOYSA-N	-1	0	364.854	3.341	40	0		FGABRM
CCOc1cc(/C=C2/c3ccccc3N(CC)C2=O)ccc1OCC(=O)[O-]	ZINC000409116894	263528803	/nfs/dbraw/zinc/52/88/03/263528803.db2.gz	NLIPRUJSHWLCDR-WJDWOHSUSA-N	-1	0	367.401	3.456	40	0		FGABRM
O=C(Nc1cccnc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000409410384	263556836	/nfs/dbraw/zinc/55/68/36/263556836.db2.gz	WDJGXSYZYVIOGE-UHFFFAOYSA-N	-1	0	353.403	3.135	40	0		FGABRM
CCC(=O)O[C@@H]1CC[C@H]2[C@H]3CCC(=O)O[C@@H]3[C@](C)(CCC(=O)[O-])C[C@]12C	ZINC000004896386	493900168	/nfs/dbraw/zinc/90/01/68/493900168.db2.gz	MVEKQKDGIZGWCM-LALHSKTOSA-N	-1	0	366.454	3.321	40	0		FGABRM
CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]S(=O)(=O)c1ccccc1	ZINC000059413167	493906593	/nfs/dbraw/zinc/90/65/93/493906593.db2.gz	MOZNGWYZINAVEO-UHFFFAOYSA-N	-1	0	367.448	3.237	40	0		FGABRM
Cc1ccc(S(=O)(=O)[N-]C(=O)OCCSCc2ccccc2)cc1	ZINC000006214434	493954913	/nfs/dbraw/zinc/95/49/13/493954913.db2.gz	ZQPVFUCABJHNNX-UHFFFAOYSA-N	-1	0	365.476	3.343	40	0		FGABRM
N#C/C(=C\c1cn(CC(=O)[O-])c2ccccc12)C(=O)NCc1cccs1	ZINC000007098575	494000985	/nfs/dbraw/zinc/00/09/85/494000985.db2.gz	BIGFZLRARRKMSO-MDWZMJQESA-N	-1	0	365.414	3.011	40	0		FGABRM
COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(C)c(C)c1	ZINC000009064004	494114112	/nfs/dbraw/zinc/11/41/12/494114112.db2.gz	NCSOXUTYOXEIMT-UHFFFAOYSA-N	-1	0	358.419	3.137	40	0		FGABRM
Cc1nnc([N-]c2cc([C@@H]3CCCN3Cc3cccnc3)nc(C)n2)s1	ZINC000072360213	494158256	/nfs/dbraw/zinc/15/82/56/494158256.db2.gz	SQQMLFVQNWRZJP-INIZCTEOSA-N	-1	0	367.482	3.421	40	0		FGABRM
CC(=O)c1cn(CCC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)c2ccccc12	ZINC000100793478	495066471	/nfs/dbraw/zinc/06/64/71/495066471.db2.gz	WIQKDLLUAKORNG-IYBDPMFKSA-N	-1	0	370.449	3.241	40	0		FGABRM
Cc1nnc(SCc2cc(=O)n3[n-]c(C)c(-c4ccccc4)c3n2)s1	ZINC000105330032	495356932	/nfs/dbraw/zinc/35/69/32/495356932.db2.gz	UAFZYXYZTCJTGM-UHFFFAOYSA-N	-1	0	369.475	3.450	40	0		FGABRM
Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@H]2C(=O)[O-])cc1	ZINC000218427774	497002643	/nfs/dbraw/zinc/00/26/43/497002643.db2.gz	PICRZOMRQJDPHX-ARFHVFGLSA-N	-1	0	350.823	3.289	40	0		FGABRM
CSc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(Cl)cc2)cc1	ZINC000224975001	497054339	/nfs/dbraw/zinc/05/43/39/497054339.db2.gz	LUMODRBPWDQRKQ-UHFFFAOYSA-N	-1	0	371.867	3.342	40	0		FGABRM
CSc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cc(C)ccc2C)cc1	ZINC000224972285	497054419	/nfs/dbraw/zinc/05/44/19/497054419.db2.gz	BZQVQCWYODVGCX-UHFFFAOYSA-N	-1	0	365.476	3.305	40	0		FGABRM
Cc1ccc(Sc2ccc(/C=C3/NC(=O)N(CC(=O)[O-])C3=O)cc2)cc1	ZINC000408594623	499592826	/nfs/dbraw/zinc/59/28/26/499592826.db2.gz	UJZTXGKSGCMSLO-MHWRWJLKSA-N	-1	0	368.414	3.124	40	0		FGABRM
Nc1c(-c2ccc(C3CCC(CC(=O)[O-])CC3)cc2)cnc2ncnn21	ZINC000087493408	527423341	/nfs/dbraw/zinc/42/33/41/527423341.db2.gz	IQKZYQQDCIRXJW-UHFFFAOYSA-N	-1	0	351.410	3.122	40	0		FGABRM
CCn1c2cc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3)cc2oc1=O	ZINC000223361446	568645242	/nfs/dbraw/zinc/64/52/42/568645242.db2.gz	JNHSPMFHSDSPIY-UHFFFAOYSA-N	-1	0	366.826	3.377	40	0		FGABRM
CCc1ccc(-c2nc3cc(N4C[C@H](C(=O)[O-])CC4=O)ccc3o2)cc1	ZINC000057327255	210207174	/nfs/dbraw/zinc/20/71/74/210207174.db2.gz	FXIDHRDCBIJCQQ-CQSZACIVSA-N	-1	0	350.374	3.495	40	0		FGABRM
CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)[O-])C(=O)C[C@@H]1O	ZINC000015111008	210182050	/nfs/dbraw/zinc/18/20/50/210182050.db2.gz	XEYBRNLFEZDVAW-SODXPYFYSA-N	-1	0	352.471	3.251	40	0	in-vitro	FGABRM
COc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc3ccccc3c2)cc1	ZINC000225047314	222826749	/nfs/dbraw/zinc/82/67/49/222826749.db2.gz	XBSYAQOFTBIIJA-UHFFFAOYSA-N	-1	0	371.414	3.128	40	0		FGABRM
CCc1nnc([N-]c2cc([C@@H]3CCCN3Cc3ncc[nH]3)nc(C)n2)s1	ZINC000257305655	223059345	/nfs/dbraw/zinc/05/93/45/223059345.db2.gz	SQWWIQBWDRGSEU-ZDUSSCGKSA-N	-1	0	370.486	3.003	40	0		FGABRM
CS(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccc2ccccc2c1	ZINC000045202187	211812410	/nfs/dbraw/zinc/81/24/10/211812410.db2.gz	RJZHEDIPQIMDBB-UHFFFAOYSA-N	-1	0	354.431	3.141	40	0		FGABRM
CCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1	ZINC000032032926	211540730	/nfs/dbraw/zinc/54/07/30/211540730.db2.gz	RPFTZTDFKXODJJ-UHFFFAOYSA-N	-1	0	364.442	3.465	40	0		FGABRM
COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCC(=O)[O-]	ZINC000031841007	211537415	/nfs/dbraw/zinc/53/74/15/211537415.db2.gz	RCPRCGQIDXYANB-WAYWQWQTSA-N	-1	0	374.389	3.355	40	0		FGABRM
O=C([O-])c1ccc2c(=O)[nH]c3c(-c4cccc(C(F)(F)F)c4)nnn3c2c1	ZINC000021657738	211319431	/nfs/dbraw/zinc/31/94/31/211319431.db2.gz	DGOAYCXVZVLQQW-UHFFFAOYSA-N	-1	0	374.278	3.367	40	0		FGABRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccccc1	ZINC000020151444	211271175	/nfs/dbraw/zinc/27/11/75/211271175.db2.gz	LINDAJQWVZAIHY-UHFFFAOYSA-N	-1	0	364.810	3.174	40	0		FGABRM
O=c1c2c(nc3cc(C4CC4)[n-]n31)CN(Cc1cccc(F)c1F)CC2	ZINC000019292763	211213300	/nfs/dbraw/zinc/21/33/00/211213300.db2.gz	ZEWMWKQDQYBGLK-UHFFFAOYSA-N	-1	0	356.376	3.149	40	0		FGABRM
CCOc1ccc(/C=C/C(=O)NCc2ccc(C(=O)[O-])cc2)cc1OC	ZINC000013166383	211026622	/nfs/dbraw/zinc/02/66/22/211026622.db2.gz	AJLSZRQDTQVZOE-YRNVUSSQSA-N	-1	0	355.390	3.122	40	0		FGABRM
CC[C@@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(C)cc1)C(=O)[O-]	ZINC000005199796	210607420	/nfs/dbraw/zinc/60/74/20/210607420.db2.gz	PWNPMOFLGINKNY-KDOFPFPSSA-N	-1	0	368.433	3.476	40	0		FGABRM
O=C([O-])c1cc(Cl)c(NC(=S)NC(=O)c2ccco2)c(Cl)c1	ZINC000059843152	221127285	/nfs/dbraw/zinc/12/72/85/221127285.db2.gz	HIZNBZFOYDSNRP-UHFFFAOYSA-N	-1	0	359.190	3.411	40	0		FGABRM
C[C@@H](NC(=O)c1cccn1C)c1onc(-c2ccc(F)cc2)c1C(=O)[O-]	ZINC000096296976	222111762	/nfs/dbraw/zinc/11/17/62/222111762.db2.gz	CHEDBIUAYVUIEJ-SNVBAGLBSA-N	-1	0	357.341	3.008	40	0	biogenic,in-vitro	FGABRM
COc1ccc(-c2[n-]n3c(nc(-c4cccnc4OC)cc3=O)c2C)cc1	ZINC000100219692	222239861	/nfs/dbraw/zinc/23/98/61/222239861.db2.gz	LRLOBPDERPOICB-UHFFFAOYSA-N	-1	0	362.389	3.490	40	0		FGABRM
COc1cc(CCc2cc(=O)n3[n-]c(C)c(-c4ccccc4)c3n2)on1	ZINC000100776425	222252816	/nfs/dbraw/zinc/25/28/16/222252816.db2.gz	QDSKVIMKFCPYHU-UHFFFAOYSA-N	-1	0	350.378	3.192	40	0		FGABRM
COc1ccc(-n2nnnc2C=CNc2ccc(C(=O)[O-])c(Cl)c2)cc1	ZINC000101004002	222258926	/nfs/dbraw/zinc/25/89/26/222258926.db2.gz	APQIGBPAOWBRRF-CMDGGOBGSA-N	-1	0	371.784	3.105	40	0		FGABRM
COc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Br)cc1	ZINC000006170659	493954490	/nfs/dbraw/zinc/95/44/90/493954490.db2.gz	QUCPXXTTYAQWKW-UHFFFAOYSA-N	-1	0	350.168	3.408	40	0		FGABRM
CCOc1ccc(Br)cc1/C=C/C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000062714760	494021255	/nfs/dbraw/zinc/02/12/55/494021255.db2.gz	LBZBPGYXLJPXOI-PXTSUWAFSA-N	-1	0	370.243	3.086	40	0		FGABRM
COc1c(C)cccc1C(=O)NC(=S)Nc1cc(C(=O)[O-])ccc1C	ZINC000009064066	494113587	/nfs/dbraw/zinc/11/35/87/494113587.db2.gz	JDIAZFROAJEHHT-UHFFFAOYSA-N	-1	0	358.419	3.137	40	0		FGABRM
Cc1ccc(-n2nnc(C(=O)[O-])c2CSc2ncccn2)cc1Cl	ZINC000085398300	494121030	/nfs/dbraw/zinc/12/10/30/494121030.db2.gz	QYHLSQGSJGAYOJ-UHFFFAOYSA-N	-1	0	361.814	3.010	40	0		FGABRM
Cc1ncccc1C(=O)N1CCCC[C@@H]1c1cc2nc(C)c(C)c(=O)n2[n-]1	ZINC000012337816	494225509	/nfs/dbraw/zinc/22/55/09/494225509.db2.gz	XGMFIILMZJGMAW-QGZVFWFLSA-N	-1	0	365.437	3.123	40	0		FGABRM
Cc1ccccc1Cc1c(C)[nH]c2[n-]n(-c3ccc(F)cc3)c(=O)c2c1=O	ZINC000017074722	494407988	/nfs/dbraw/zinc/40/79/88/494407988.db2.gz	ADCFCDXDGZLQJB-UHFFFAOYSA-N	-1	0	363.392	3.354	40	0		FGABRM
CCCCC[C@H](O)/C=C\[C@H]1[C@H](O)C[C@@H](O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000150229052	495608912	/nfs/dbraw/zinc/60/89/12/495608912.db2.gz	DZUXGQBLFALXCR-JMMNRYJJSA-N	-1	0	356.503	3.267	40	0		FGABRM
CCCCCNS(=O)(=O)c1ccc(NCCC(C)C)c(C(=O)[O-])c1	ZINC000217651042	496999305	/nfs/dbraw/zinc/99/93/05/496999305.db2.gz	HEUWEYUNZNJLHV-UHFFFAOYSA-N	-1	0	356.488	3.311	40	0		FGABRM
O=C([O-])[C@@H]1[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218550178	497003413	/nfs/dbraw/zinc/00/34/13/497003413.db2.gz	LYIFPDMBKRPOME-KFWWJZLASA-N	-1	0	354.786	3.120	40	0		FGABRM
O=C([O-])[C@H]1[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000218550259	497003523	/nfs/dbraw/zinc/00/35/23/497003523.db2.gz	LYIFPDMBKRPOME-ILXRZTDVSA-N	-1	0	354.786	3.120	40	0		FGABRM
CCCOc1c(OCC)cc(I)cc1C(=O)[O-]	ZINC000225282359	497059532	/nfs/dbraw/zinc/05/95/32/497059532.db2.gz	UXSYVTUWDJORQH-UHFFFAOYSA-N	-1	0	350.152	3.177	40	0		FGABRM
CCOc1ccc(-n2nc(C(=O)[O-])c(N(C)Cc3ccccc3)n2)cc1	ZINC000256047702	497383009	/nfs/dbraw/zinc/38/30/09/497383009.db2.gz	OAZRWFZARWHFDN-UHFFFAOYSA-N	-1	0	352.394	3.001	40	0		FGABRM
COc1ccc(-c2ccc(CCC(=O)[O-])n2NC(=O)c2ccc(C)o2)cc1	ZINC000408559710	499592208	/nfs/dbraw/zinc/59/22/08/499592208.db2.gz	BJMQXBPTMCMAMK-UHFFFAOYSA-N	-1	0	368.389	3.466	40	0		FGABRM
CCOc1cc(/C=C/C(=O)Nc2ccc(C(=O)[O-])c(O)c2)ccc1OC	ZINC000408603115	499592735	/nfs/dbraw/zinc/59/27/35/499592735.db2.gz	FHRIGDSDJKNYSU-WEVVVXLNSA-N	-1	0	357.362	3.150	40	0		FGABRM
CC(C)CCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NC1CCCCC1	ZINC000217449572	519664282	/nfs/dbraw/zinc/66/42/82/519664282.db2.gz	NKGUMSYEWOJEPI-UHFFFAOYSA-N	-1	0	368.499	3.454	40	0		FGABRM
Cc1ccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1C	ZINC000409130722	570730768	/nfs/dbraw/zinc/73/07/68/570730768.db2.gz	UJWXPMSRFKFKCV-OQLLNIDSSA-N	-1	0	356.403	3.215	40	0		FGABRM
CC(=O)Oc1c(Br)c(C)c(Br)c(C)c1C(=O)[O-]	ZINC000057339615	210209585	/nfs/dbraw/zinc/20/95/85/210209585.db2.gz	MQYLGTOIXFAUTJ-UHFFFAOYSA-N	-1	0	366.005	3.452	40	0		FGABRM
O=C([O-])CCC/C=C\C[C@@H]1[C@@H](/C=C\[C@@H](O)C2CCCCC2)[C@H](O)C[C@@H]1O	ZINC000299888581	210042877	/nfs/dbraw/zinc/04/28/77/210042877.db2.gz	PCRSETNIXCXEOC-OQEZXCIMSA-N	-1	0	366.498	3.043	40	0		FGABRM
CN(C(=O)c1cccc(F)c1[O-])[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O	ZINC000257275670	223047116	/nfs/dbraw/zinc/04/71/16/223047116.db2.gz	NQJVAFTYTKVGHM-QWFCFKBJSA-N	-1	0	373.424	3.354	40	0		FGABRM
CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1	ZINC000025090287	211423630	/nfs/dbraw/zinc/42/36/30/211423630.db2.gz	NZDSYDPBAPUEKR-ZDUSSCGKSA-N	-1	0	364.442	3.463	40	0		FGABRM
O=C([O-])CN(Cc1ccccc1)C(=O)COc1ccc(Cl)c(Cl)c1	ZINC000001750333	210367929	/nfs/dbraw/zinc/36/79/29/210367929.db2.gz	UHWJTEGSSYLOMG-UHFFFAOYSA-N	-1	0	368.216	3.486	40	0		FGABRM
C[C@@H]1Nc2ccccc2S[C@@H]1C(=O)c1c([O-])c2ccccc2n(C)c1=O	ZINC000102756072	222307748	/nfs/dbraw/zinc/30/77/48/222307748.db2.gz	ZVNNXCHXWPWQJU-WLRWDXFRSA-N	-1	0	366.442	3.402	40	0		FGABRM
C[C@@H]1Nc2ccccc2S[C@H]1C(=O)c1c([O-])c2ccccc2n(C)c1=O	ZINC000102756064	222307907	/nfs/dbraw/zinc/30/79/07/222307907.db2.gz	ZVNNXCHXWPWQJU-JEOXALJRSA-N	-1	0	366.442	3.402	40	0		FGABRM
CSCC[C@H](NC(=O)c1c(C)onc1-c1ccccc1Cl)C(=O)[O-]	ZINC000002488629	263145608	/nfs/dbraw/zinc/14/56/08/263145608.db2.gz	CZNSXXIARWZNBS-LBPRGKRZSA-N	-1	0	368.842	3.240	40	0		FGABRM
Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)[N-]OCc1ccc(C)cc1	ZINC000002788272	493820450	/nfs/dbraw/zinc/82/04/50/493820450.db2.gz	ZQERTODQNDZBHK-UHFFFAOYSA-N	-1	0	361.751	3.420	40	0		FGABRM
COc1ccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1Cl	ZINC000005134950	493915750	/nfs/dbraw/zinc/91/57/50/493915750.db2.gz	FYTTTXMPZPJLSU-UHFFFAOYSA-N	-1	0	369.826	3.167	40	0		FGABRM
O=C([O-])/C(=C/c1ccc(N2CCOCC2)o1)Sc1nc2ccccc2[nH]1	ZINC000050547883	493920336	/nfs/dbraw/zinc/92/03/36/493920336.db2.gz	VRKZRBVDLXSZDL-PTNGSMBKSA-N	-1	0	371.418	3.210	40	0		FGABRM
CCc1nc(SC(=Cc2ccc(Br)cc2)C(=O)[O-])n[nH]1	ZINC000007342469	494017008	/nfs/dbraw/zinc/01/70/08/494017008.db2.gz	WNKUJFLWEHJDCG-YFHOEESVSA-N	-1	0	354.229	3.347	40	0		FGABRM
CC(=O)Nc1cccc(-c2nc(SCc3ccc(C(=O)[O-])cc3)n[nH]2)c1	ZINC000007605230	494029714	/nfs/dbraw/zinc/02/97/14/494029714.db2.gz	BATGSHRMYUDODF-UHFFFAOYSA-N	-1	0	368.418	3.421	40	0		FGABRM
CCCCC[C@H](O)/C=C\[C@H]1[C@H](O)CC(=O)[C@H]1C/C=C/CCCC(=O)[O-]	ZINC000085483832	494128964	/nfs/dbraw/zinc/12/89/64/494128964.db2.gz	XEYBRNLFEZDVAW-ZDSXBXLESA-N	-1	0	352.471	3.251	40	0		FGABRM
CCc1nnc([N-]c2cc([C@H]3CCCN3c3ccncn3)nc(C)n2)s1	ZINC000072360380	494158293	/nfs/dbraw/zinc/15/82/93/494158293.db2.gz	JJYZEYFWHVIOKE-CYBMUJFWSA-N	-1	0	368.470	3.074	40	0		FGABRM
CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccccc1C(F)(F)F	ZINC000014155068	494307383	/nfs/dbraw/zinc/30/73/83/494307383.db2.gz	ZQXXJUVFONPNKP-UHFFFAOYSA-N	-1	0	358.341	3.329	40	0		FGABRM
CCCCC[C@@H](O)/C=C/C=C\C=C\C=C\[C@H](O)[C@H](O)CCCC(=O)[O-]	ZINC000044606674	494368727	/nfs/dbraw/zinc/36/87/27/494368727.db2.gz	IXAQOQZEOGMIQS-VFDAXCTFSA-N	-1	0	352.471	3.129	40	0	in-vitro	FGABRM
COc1cc(/C=C(\Sc2nnc(C)o2)C(=O)[O-])cc(Cl)c1OC	ZINC000211543624	496976316	/nfs/dbraw/zinc/97/63/16/496976316.db2.gz	MSFNIQLIBIQYIC-WDZFZDKYSA-N	-1	0	356.787	3.266	40	0		FGABRM
CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)c(F)c2)c1	ZINC000216419185	496989305	/nfs/dbraw/zinc/98/93/05/496989305.db2.gz	KYMYZBKHIHNVDZ-UHFFFAOYSA-N	-1	0	367.398	3.120	40	0		FGABRM
C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1N1CCCC1)c1ccccc1	ZINC000217479208	496997955	/nfs/dbraw/zinc/99/79/55/496997955.db2.gz	AVZVJJCDJPWFBN-CQSZACIVSA-N	-1	0	374.462	3.025	40	0		FGABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)s1	ZINC000225361301	497060442	/nfs/dbraw/zinc/06/04/42/497060442.db2.gz	MRBSDFLNZGRGCD-UHFFFAOYSA-N	-1	0	368.484	3.119	40	0		FGABRM
Cc1nc([N-]S(C)(=O)=O)sc1C(=O)Nc1cc(Cl)ccc1C	ZINC000225877821	497078612	/nfs/dbraw/zinc/07/86/12/497078612.db2.gz	SRQQANFABLAOBN-UHFFFAOYSA-N	-1	0	359.860	3.037	40	0		FGABRM
O=C([O-])c1nn(-c2cccc(C(F)(F)F)c2)nc1N1CCCCCC1	ZINC000256046209	497382800	/nfs/dbraw/zinc/38/28/00/497382800.db2.gz	DMWCNVSMBVVCKL-UHFFFAOYSA-N	-1	0	354.332	3.365	40	0		FGABRM
CC(C)[C@H](NC(=O)c1nn(Cc2ccc(F)cc2)c2ccccc12)C(=O)[O-]	ZINC000575631110	505985839	/nfs/dbraw/zinc/98/58/39/505985839.db2.gz	XWTKFXNTAUXIRK-KRWDZBQOSA-N	-1	0	369.396	3.063	40	0	in-vitro	FGABRM
CCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)c1ccccc1	ZINC000217474755	520152906	/nfs/dbraw/zinc/15/29/06/520152906.db2.gz	KWOUQTAWCXWOKC-CYBMUJFWSA-N	-1	0	362.451	3.246	40	0		FGABRM
COc1c(F)cccc1[N-]S(=O)(=O)c1cccc(Br)c1	ZINC000199769682	210172205	/nfs/dbraw/zinc/17/22/05/210172205.db2.gz	HHXYCQPHULIKJG-UHFFFAOYSA-N	-1	0	360.204	3.398	40	0		FGABRM
COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(C(C)C)cc2)cc1	ZINC000224849956	222821545	/nfs/dbraw/zinc/82/15/45/222821545.db2.gz	VVBUASLITQRGOM-UHFFFAOYSA-N	-1	0	363.435	3.099	40	0		FGABRM
O=C([O-])c1ccc(C[C@H]2COCCN(C(=O)OCc3ccccc3)C2)cc1	ZINC000257257046	223039886	/nfs/dbraw/zinc/03/98/86/223039886.db2.gz	KNWLJXIJIJIEIV-GOSISDBHSA-N	-1	0	369.417	3.213	40	0		FGABRM
Cc1nnc([N-]c2cc([C@H]3CCCCN3Cc3ncc[nH]3)nc(C)n2)s1	ZINC000257284377	223049778	/nfs/dbraw/zinc/04/97/78/223049778.db2.gz	PCLBSNDNCPMLGK-CQSZACIVSA-N	-1	0	370.486	3.139	40	0		FGABRM
O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1cccc(N2CCCC2)c1	ZINC000257328976	223068377	/nfs/dbraw/zinc/06/83/77/223068377.db2.gz	XHWIUZKDFJTGFE-UHFFFAOYSA-N	-1	0	364.854	3.059	40	0		FGABRM
Cc1ccc(C(=O)[O-])c(OCC(=O)Nc2ccc(Br)cc2)c1	ZINC000013084333	220057216	/nfs/dbraw/zinc/05/72/16/220057216.db2.gz	NFBAXGFFRZXUCP-UHFFFAOYSA-N	-1	0	364.195	3.473	40	0		FGABRM
O=C([O-])Cc1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1	ZINC000020152378	211269518	/nfs/dbraw/zinc/26/95/18/211269518.db2.gz	WNEXCWXFIRFLFL-UHFFFAOYSA-N	-1	0	354.387	3.187	40	0		FGABRM
CCn1c(C)nc2cc([N-]S(=O)(=O)c3cc(F)ccc3OC)ccc21	ZINC000019656613	211242183	/nfs/dbraw/zinc/24/21/83/211242183.db2.gz	QRMBFCCVOFAAIB-UHFFFAOYSA-N	-1	0	363.414	3.313	40	0		FGABRM
CCOC(=O)C=C([O-])c1cc(-c2ccccc2)c(N2CCOCC2)s1	ZINC000016682778	211167090	/nfs/dbraw/zinc/16/70/90/211167090.db2.gz	KSDUFDPDBLDEOL-UHFFFAOYSA-N	-1	0	359.447	3.388	40	0		FGABRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)Nc1ccc(Cc2ccncc2)cc1	ZINC000013471347	211034501	/nfs/dbraw/zinc/03/45/01/211034501.db2.gz	ISNROLLRICGDTA-NBMJBFSESA-N	-1	0	350.418	3.358	40	0		FGABRM
Cc1cc(C)c(N[C@@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)c1	ZINC000101274904	222266078	/nfs/dbraw/zinc/26/60/78/222266078.db2.gz	KNKOUNJJKWHIET-MRXNPFEDSA-N	-1	0	352.390	3.054	40	0		FGABRM
Cc1[n-]n2c(nc([C@H]3CC(=O)N(C)C3)cc2=O)c1-c1ccc(Cl)cc1	ZINC000100775820	222253070	/nfs/dbraw/zinc/25/30/70/222253070.db2.gz	IFEBWSVJAZWBTB-LBPRGKRZSA-N	-1	0	356.813	3.009	40	0		FGABRM
Cc1cc(C)c(N(CC(=O)[O-])S(=O)(=O)c2ccc(F)cc2)c(C)c1	ZINC000113882846	222501851	/nfs/dbraw/zinc/50/18/51/222501851.db2.gz	UCJUZSQDRZNWCX-UHFFFAOYSA-N	-1	0	351.399	3.031	40	0		FGABRM
C[C@@H]1CCC[C@H](C)N1C(=O)Cn1c2ccccc2nc1SCC(=O)[O-]	ZINC000004859225	493896520	/nfs/dbraw/zinc/89/65/20/493896520.db2.gz	ASBBULQHRSJDHA-BETUJISGSA-N	-1	0	361.467	3.003	40	0		FGABRM
O=C([O-])c1cc(NC(=O)CC[C@H]2CC(=O)O[C@H]2c2ccccc2)ccc1O	ZINC000005002244	493906966	/nfs/dbraw/zinc/90/69/66/493906966.db2.gz	CBTOVMFQTUDKNI-DJJJIMSYSA-N	-1	0	369.373	3.114	40	0		FGABRM
O=C([O-])/C=C\C(=O)Nc1cc2c(cc1Br)-c1ccccc1[C@@H]2O	ZINC000005052929	493910982	/nfs/dbraw/zinc/91/09/82/493910982.db2.gz	BFRKFETWKLONCI-OSJSJHBBSA-N	-1	0	374.190	3.091	40	0		FGABRM
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@H]1C/C=C/CCCC(=O)[O-]	ZINC000031372746	493940452	/nfs/dbraw/zinc/94/04/52/493940452.db2.gz	PXGPLTODNUVGFL-YIJCPDEYSA-N	-1	0	354.487	3.043	40	0		FGABRM
CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000006324144	493959424	/nfs/dbraw/zinc/95/94/24/493959424.db2.gz	FADXPPQZVKTYRX-UHFFFAOYSA-N	-1	0	352.843	3.281	40	0		FGABRM
CCN1C(=O)N/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C1=O	ZINC000006462993	493964039	/nfs/dbraw/zinc/96/40/39/493964039.db2.gz	QQCMXMQSSNBIOY-JYRVWZFOSA-N	-1	0	360.753	3.211	40	0		FGABRM
Cc1n[nH]c(SC(=Cc2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)[O-])n1	ZINC000006959303	493990354	/nfs/dbraw/zinc/99/03/54/493990354.db2.gz	KFKMHNJSUAKJQJ-ZROIWOOFSA-N	-1	0	371.378	3.030	40	0		FGABRM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2OC)cc1OCC	ZINC000007360996	494017923	/nfs/dbraw/zinc/01/79/23/494017923.db2.gz	NSRSNLZTQNITDJ-UHFFFAOYSA-N	-1	0	351.424	3.293	40	0		FGABRM
Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(C(=O)[O-])c3)CC2=O)cc1Cl	ZINC000007881784	494049419	/nfs/dbraw/zinc/04/94/19/494049419.db2.gz	XOJSKFGYAJTDDY-ZDUSSCGKSA-N	-1	0	372.808	3.338	40	0		FGABRM
CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1	ZINC000033655450	494062272	/nfs/dbraw/zinc/06/22/72/494062272.db2.gz	VPGWETBOFGUPKU-UHFFFAOYSA-N	-1	0	352.843	3.117	40	0		FGABRM
COc1ccc(S(=O)(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)cc1	ZINC000034776339	494067822	/nfs/dbraw/zinc/06/78/22/494067822.db2.gz	IRZSQERFOLGTIH-UHFFFAOYSA-N	-1	0	363.416	3.409	40	0		FGABRM
C[C@@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(Br)cc1	ZINC000035135233	494071651	/nfs/dbraw/zinc/07/16/51/494071651.db2.gz	UVJIISQDDCKQAQ-HONMWMINSA-N	-1	0	352.228	3.293	40	0		FGABRM
O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(Cl)cc1Cl	ZINC000008477186	494092258	/nfs/dbraw/zinc/09/22/58/494092258.db2.gz	ORTDZOIDYNAVOW-KPKJPENVSA-N	-1	0	353.205	3.398	40	0		FGABRM
CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1	ZINC000008477367	494092464	/nfs/dbraw/zinc/09/24/64/494092464.db2.gz	VPTKTUQHYDJVIC-VLURKWGBSA-N	-1	0	356.422	3.268	40	0		FGABRM
Cc1nc([N-]c2nncs2)cc([C@@H]2CCCN2Cc2cccnc2)n1	ZINC000072360211	494158152	/nfs/dbraw/zinc/15/81/52/494158152.db2.gz	OFBPODOPESRMCR-HNNXBMFYSA-N	-1	0	353.455	3.112	40	0		FGABRM
Cc1nc(C)c(C(=O)N2CCCC[C@H]2c2cc3nc(C)cc(=O)n3[n-]2)s1	ZINC000012337801	494225131	/nfs/dbraw/zinc/22/51/31/494225131.db2.gz	NVPPVNWGABHZIB-AWEZNQCLSA-N	-1	0	371.466	3.184	40	0		FGABRM
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCCC(=O)[O-])cc1	ZINC000044022270	494335489	/nfs/dbraw/zinc/33/54/89/494335489.db2.gz	HUDPDNJSHLYMLA-NCEZTRIPSA-N	-1	0	356.422	3.142	40	0		FGABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl	ZINC000107952488	494626401	/nfs/dbraw/zinc/62/64/01/494626401.db2.gz	GDEPPLMTXXATBI-UHFFFAOYSA-N	-1	0	352.843	3.151	40	0		FGABRM
Cc1ccc(S(=O)(=O)N(c2ccc(Cl)cc2)[C@H](C)C(=O)[O-])cc1	ZINC000113874926	495332158	/nfs/dbraw/zinc/33/21/58/495332158.db2.gz	CVYRYILZQXPKIF-GFCCVEGCSA-N	-1	0	353.827	3.317	40	0		FGABRM
Cc1nc([N-]S(C)(=O)=O)sc1C(=O)Nc1c(C)cc(C)cc1C	ZINC000114563788	495391591	/nfs/dbraw/zinc/39/15/91/495391591.db2.gz	JBMLNWJDXAFXKL-UHFFFAOYSA-N	-1	0	353.469	3.001	40	0		FGABRM
CC(C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1ccccc1	ZINC000217474867	496998177	/nfs/dbraw/zinc/99/81/77/496998177.db2.gz	APTLOEASTVLNIN-ZDUSSCGKSA-N	-1	0	362.451	3.245	40	0		FGABRM
Cc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000218427635	497002102	/nfs/dbraw/zinc/00/21/02/497002102.db2.gz	PICRZOMRQJDPHX-HRCADAONSA-N	-1	0	350.823	3.289	40	0		FGABRM
Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c(Cl)cc21	ZINC000223343800	497036792	/nfs/dbraw/zinc/03/67/92/497036792.db2.gz	PZULIGWCGFNNEP-UHFFFAOYSA-N	-1	0	373.217	3.239	40	0		FGABRM
CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(CC)c1	ZINC000223678793	497041202	/nfs/dbraw/zinc/04/12/02/497041202.db2.gz	YETIJDKIJAPILK-UHFFFAOYSA-N	-1	0	363.435	3.235	40	0		FGABRM
CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)c(OC)cc1C	ZINC000223721027	497042404	/nfs/dbraw/zinc/04/24/04/497042404.db2.gz	RWGHRIQNUJHEHT-UHFFFAOYSA-N	-1	0	363.435	3.290	40	0		FGABRM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OC)cc1Cl	ZINC000408585064	499592476	/nfs/dbraw/zinc/59/24/76/499592476.db2.gz	BPBYPIGKPCYRRD-UHFFFAOYSA-N	-1	0	369.826	3.326	40	0		FGABRM
O=C([O-])CC[C@@H](c1ccccc1)N1CCN(C(=O)c2ccccc2F)CC1	ZINC000408608182	499593175	/nfs/dbraw/zinc/59/31/75/499593175.db2.gz	MXIPIYDRLZPIEX-IBGZPJMESA-N	-1	0	370.424	3.190	40	0		FGABRM
CCCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NC1CCCCC1	ZINC000217446789	520698407	/nfs/dbraw/zinc/69/84/07/520698407.db2.gz	GWQQBCRUUFQPSO-UHFFFAOYSA-N	-1	0	354.472	3.208	40	0		FGABRM
CC(C)NS(=O)(=O)c1ccc(N[C@H](C)c2ccccc2)c(C(=O)[O-])c1	ZINC000217546965	222672290	/nfs/dbraw/zinc/67/22/90/222672290.db2.gz	XMVOMXQPXOXRKJ-CYBMUJFWSA-N	-1	0	362.451	3.245	40	0		FGABRM
Cc1cccc(Cl)c1Nc1cc(-c2ccccc2)nc(NCC(=O)[O-])n1	ZINC000329069390	210134773	/nfs/dbraw/zinc/13/47/73/210134773.db2.gz	YWOIRXNBECTALR-UHFFFAOYSA-N	-1	0	368.824	3.189	40	0		FGABRM
O=C([O-])CCC/C=C/C[C@@H]1[C@@H](/C=C\[C@@H](O)C2CCCCC2)[C@H](O)C[C@@H]1O	ZINC000299888580	210042147	/nfs/dbraw/zinc/04/21/47/210042147.db2.gz	PCRSETNIXCXEOC-NVYRFKINSA-N	-1	0	366.498	3.043	40	0		FGABRM
O=C([O-])c1ccc(CNC(=O)COc2ccc(Cl)cc2Cl)cc1	ZINC000013091786	220057922	/nfs/dbraw/zinc/05/79/22/220057922.db2.gz	KGOJIYKXIWUJNQ-UHFFFAOYSA-N	-1	0	354.189	3.387	40	0		FGABRM
COc1ccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1Br	ZINC000013440251	220067486	/nfs/dbraw/zinc/06/74/86/220067486.db2.gz	WFLLJQCQXLZDFP-UHFFFAOYSA-N	-1	0	364.195	3.337	40	0		FGABRM
O=C([O-])/C=C/c1cc(Br)ccc1I	ZINC000083324662	211792534	/nfs/dbraw/zinc/79/25/34/211792534.db2.gz	XVOQXHAQLFDTJZ-DAFODLJHSA-N	-1	0	352.953	3.152	40	0		FGABRM
CCc1c(C)nc2cc([C@@H]3CCCCN3C(=O)c3cccnc3)[n-]n2c1=O	ZINC000012161728	210924407	/nfs/dbraw/zinc/92/44/07/210924407.db2.gz	GDWPZYCQUDGHCD-KRWDZBQOSA-N	-1	0	365.437	3.068	40	0		FGABRM
O=C([O-])CCC/C=C/C[C@@H]1[C@@H](/C=C/[C@@H](O)C2CCCCC2)[C@H](O)C[C@@H]1O	ZINC000098043850	222222034	/nfs/dbraw/zinc/22/20/34/222222034.db2.gz	PCRSETNIXCXEOC-YZACTLSFSA-N	-1	0	366.498	3.043	40	0		FGABRM
O=C1OCC([O-])=C1[C@H](c1ccc(Cl)cc1)c1cc2c(cc1O)OCO2	ZINC000102950640	222315549	/nfs/dbraw/zinc/31/55/49/222315549.db2.gz	RLIUCWGSAUIPRX-MRXNPFEDSA-N	-1	0	360.749	3.275	40	0		FGABRM
CC(C)OC(=O)c1cc(-c2ccc(/C=C3/NC(=O)[N-]C3=O)o2)ccc1Cl	ZINC000005381326	493927619	/nfs/dbraw/zinc/92/76/19/493927619.db2.gz	MIARHFUXWOILSY-RIYZIHGNSA-N	-1	0	374.780	3.346	40	0		FGABRM
CCCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(OCC)c2[O-])C1=O	ZINC000006656036	493973160	/nfs/dbraw/zinc/97/31/60/493973160.db2.gz	VIUITNFUDJGVFW-KPKJPENVSA-N	-1	0	352.368	3.145	40	0		FGABRM
COc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2OC)cc1	ZINC000007053459	493996821	/nfs/dbraw/zinc/99/68/21/493996821.db2.gz	GCYVLYCOMYLVCQ-UHFFFAOYSA-N	-1	0	372.240	3.267	40	0		FGABRM
CC/C=C\C[C@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000033789778	494063350	/nfs/dbraw/zinc/06/33/50/494063350.db2.gz	CBOMORHDRONZRN-GZQGOPIZSA-N	-1	0	350.455	3.027	40	0		FGABRM
CCCCC[C@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000033985220	494064105	/nfs/dbraw/zinc/06/41/05/494064105.db2.gz	XEYBRNLFEZDVAW-BSBCLDFQSA-N	-1	0	352.471	3.251	40	0		FGABRM
CCCOc1ccc(/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000040867868	494147627	/nfs/dbraw/zinc/14/76/27/494147627.db2.gz	NYKHVSKAEFEOOX-QHSLDKKCSA-N	-1	0	353.418	3.301	40	0		FGABRM
CCOC(=O)CCc1c(C)nc2c(-c3ccccc3)c(CC)[n-]n2c1=O	ZINC000012115649	494204739	/nfs/dbraw/zinc/20/47/39/494204739.db2.gz	GIIIBWGGRVPPJP-UHFFFAOYSA-N	-1	0	353.422	3.468	40	0		FGABRM
Cc1cccc(-c2cc(CC3(C(=O)[O-])CCN(C(=O)C4CC4)CC3)on2)c1	ZINC000012366492	494227687	/nfs/dbraw/zinc/22/76/87/494227687.db2.gz	LSLLBPVUPYHPPV-UHFFFAOYSA-N	-1	0	368.433	3.296	40	0		FGABRM
O=c1c2c(nc3cc(C4CC4)[n-]n31)CCN(Cc1c(F)cccc1F)C2	ZINC000012667087	494249219	/nfs/dbraw/zinc/24/92/19/494249219.db2.gz	QFXUTPCUZPSMGW-UHFFFAOYSA-N	-1	0	356.376	3.149	40	0		FGABRM
CCCCC[C@H](O)/C=C\C=C\C=C/C=C\[C@@H](O)[C@@H](O)CCCC(=O)[O-]	ZINC000027644552	494878874	/nfs/dbraw/zinc/87/88/74/494878874.db2.gz	IXAQOQZEOGMIQS-CUTUAMJZSA-N	-1	0	352.471	3.129	40	0	in-vitro	FGABRM
O=C([O-])c1cc(S(=O)(=O)NCc2ccccc2)ccc1NC1CCCC1	ZINC000217604371	496999155	/nfs/dbraw/zinc/99/91/55/496999155.db2.gz	XXKVGLBIZVDRKD-UHFFFAOYSA-N	-1	0	374.462	3.218	40	0		FGABRM
Cc1cccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c1C	ZINC000223324173	497035125	/nfs/dbraw/zinc/03/51/25/497035125.db2.gz	KCMFGOXJOYHLIK-UHFFFAOYSA-N	-1	0	352.799	3.192	40	0		FGABRM
Cc1cc(Cl)ccc1N(CC(=O)[O-])S(=O)(=O)c1ccc(F)cc1	ZINC000224913066	497053949	/nfs/dbraw/zinc/05/39/49/497053949.db2.gz	ZQCUIPQIYAIZFE-UHFFFAOYSA-N	-1	0	357.790	3.067	40	0		FGABRM
Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]2c2ccc(Cl)cc2)cc1	ZINC000242543533	497354428	/nfs/dbraw/zinc/35/44/28/497354428.db2.gz	KEBPDVFKWWZVNR-PMPSAXMXSA-N	-1	0	350.823	3.289	40	0		FGABRM
N=c1[n-]nc(SCC(=O)N2c3ccccc3S[C@@H]3C=CC=C[C@H]32)s1	ZINC000408543867	499591896	/nfs/dbraw/zinc/59/18/96/499591896.db2.gz	SCRGVZCIZKEYBH-ZYHUDNBSSA-N	-1	0	374.516	3.045	40	0		FGABRM
CCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCC1=CCCCC1	ZINC000217452887	520152356	/nfs/dbraw/zinc/15/23/56/520152356.db2.gz	DBKUQCDRJVYDFL-UHFFFAOYSA-N	-1	0	366.483	3.376	40	0		FGABRM
Cn1c(SCC(=O)[O-])nnc1-c1cc(C(F)(F)F)ccc1Cl	ZINC000228979340	571278346	/nfs/dbraw/zinc/27/83/46/571278346.db2.gz	SKITYRYGINFNKH-UHFFFAOYSA-N	-1	0	351.737	3.331	40	0		FGABRM
Cc1ccc(Nc2cc(-c3ccccc3)nc(NCC(=O)[O-])n2)c(Cl)c1	ZINC000328979949	210128334	/nfs/dbraw/zinc/12/83/34/210128334.db2.gz	GIWHHALFLLOGRP-UHFFFAOYSA-N	-1	0	368.824	3.189	40	0		FGABRM
O=C([O-])[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)OCc1ccccc1	ZINC000044909785	210045919	/nfs/dbraw/zinc/04/59/19/210045919.db2.gz	SAWUNKDNRRUMLC-QGZVFWFLSA-N	-1	0	356.353	3.229	40	0		FGABRM
CC(C)(C)OC(=O)N1C[C@H](Oc2cccc3cccnc32)C[C@H]1C(=O)[O-]	ZINC000039954390	210042540	/nfs/dbraw/zinc/04/25/40/210042540.db2.gz	OZSKDIYBVVSZNP-KGLIPLIRSA-N	-1	0	358.394	3.076	40	0		FGABRM
Cc1c[nH]nc1[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CCO1	ZINC000257310176	223060720	/nfs/dbraw/zinc/06/07/20/223060720.db2.gz	UDZUNJDVEUPVRR-SFHVURJKSA-N	-1	0	367.405	3.250	40	0		FGABRM
Cc1nc(Nc2ccc(I)cc2)sc1C(=O)[O-]	ZINC000020156538	211270438	/nfs/dbraw/zinc/27/04/38/211270438.db2.gz	AFKFPDOCQLLQJQ-UHFFFAOYSA-N	-1	0	360.176	3.498	40	0		FGABRM
O=c1cc(Cn2cccn2)nc2c(-c3ccccc3)c(C(F)(F)F)[n-]n21	ZINC000019373967	211218326	/nfs/dbraw/zinc/21/83/26/211218326.db2.gz	ZOJIFENRBTYUBP-UHFFFAOYSA-N	-1	0	359.311	3.366	40	0		FGABRM
O=C([O-])[C@@H](c1cc2ccccc2[nH]1)N1CCN(c2ccc(F)cc2)CC1	ZINC000002527382	132304211	/nfs/dbraw/zinc/30/42/11/132304211.db2.gz	KNZZXWYUBWGYQQ-LJQANCHMSA-N	-1	0	353.397	3.255	40	0		FGABRM
C[C@@H](Sc1nnc(-c2cccnc2)n1CCc1ccccc1)C(=O)[O-]	ZINC000005018140	493907918	/nfs/dbraw/zinc/90/79/18/493907918.db2.gz	SWYOBKPVNVDHNA-CYBMUJFWSA-N	-1	0	354.435	3.148	40	0		FGABRM
Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1	ZINC000005199792	493919099	/nfs/dbraw/zinc/91/90/99/493919099.db2.gz	CRPIPIZFPMPEDX-QGZVFWFLSA-N	-1	0	354.406	3.086	40	0		FGABRM
CCc1cccc(C)c1NC(=O)CC1=S([O-])c2ccccc2NC1=O	ZINC000005811860	493943532	/nfs/dbraw/zinc/94/35/32/493943532.db2.gz	XVSVWVOBVSNXAB-LMKMVOKYSA-N	-1	0	356.447	3.015	40	0		FGABRM
CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2)c1OCC(=O)[O-]	ZINC000006964977	493990031	/nfs/dbraw/zinc/99/00/31/493990031.db2.gz	VSLOMENFOJWWIT-PTNGSMBKSA-N	-1	0	366.373	3.094	40	0		FGABRM
CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)c1	ZINC000007495354	494025700	/nfs/dbraw/zinc/02/57/00/494025700.db2.gz	ITIZLKUTEAOQAB-QGOAFFKASA-N	-1	0	369.465	3.246	40	0		FGABRM
Cc1cccc(NC(=O)COc2ccc(C(=O)[O-])cc2Br)c1	ZINC000007604139	494029402	/nfs/dbraw/zinc/02/94/02/494029402.db2.gz	VDJPFXCSXZEBGO-UHFFFAOYSA-N	-1	0	364.195	3.473	40	0		FGABRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1C(C)(C)C	ZINC000008477444	494092472	/nfs/dbraw/zinc/09/24/72/494092472.db2.gz	VDRVAYZIIFYPHV-LFIBNONCSA-N	-1	0	357.454	3.264	40	0		FGABRM
CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(C2CCCC2)C1=O	ZINC000008477387	494092545	/nfs/dbraw/zinc/09/25/45/494092545.db2.gz	XKIVNBIQNQLAHR-MLDYKZIASA-N	-1	0	356.422	3.268	40	0		FGABRM
Cc1ccc(-c2cc(CC3(C(=O)[O-])CCN(C(=O)C4CC4)CC3)on2)cc1	ZINC000012366496	494228062	/nfs/dbraw/zinc/22/80/62/494228062.db2.gz	LCXUHGNCBNOHLD-UHFFFAOYSA-N	-1	0	368.433	3.296	40	0		FGABRM
O=C([O-])[C@H](Cc1c[nH]c2cccc(F)c12)NC(=O)OCc1ccccc1	ZINC000044909789	494387863	/nfs/dbraw/zinc/38/78/63/494387863.db2.gz	MJZVIXVJHBOSOE-INIZCTEOSA-N	-1	0	356.353	3.229	40	0		FGABRM
CCOc1ccc(-c2nc(N(C)C)sc2CC(=O)[O-])cc1OCC	ZINC000095097219	494960862	/nfs/dbraw/zinc/96/08/62/494960862.db2.gz	PGQJSETYLPJLRF-UHFFFAOYSA-N	-1	0	350.440	3.301	40	0		FGABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)c1	ZINC000223342693	497036653	/nfs/dbraw/zinc/03/66/53/497036653.db2.gz	UOVCZEINRNIOAB-UHFFFAOYSA-N	-1	0	366.826	3.203	40	0		FGABRM
CCOc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(Cl)cc2)cc1	ZINC000224582411	497050454	/nfs/dbraw/zinc/05/04/54/497050454.db2.gz	OZMJJHMSLAJNGG-UHFFFAOYSA-N	-1	0	369.826	3.019	40	0		FGABRM
CSc1ccc([C@@H](CC(=O)[O-])NC(=S)Nc2nccc(C)n2)cc1	ZINC000225215973	497058510	/nfs/dbraw/zinc/05/85/10/497058510.db2.gz	QRNCWHSKPISAEP-CYBMUJFWSA-N	-1	0	362.480	3.009	40	0		FGABRM
O=C([O-])[C@@H]1[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1	ZINC000242548878	497354833	/nfs/dbraw/zinc/35/48/33/497354833.db2.gz	LYIFPDMBKRPOME-RRFJBIMHSA-N	-1	0	354.786	3.120	40	0		FGABRM
O=C([O-])c1nn(-c2ccc(Br)cc2)nc1N1CCCCCC1	ZINC000256047237	497382971	/nfs/dbraw/zinc/38/29/71/497382971.db2.gz	LHCRYAXFFLTJRI-UHFFFAOYSA-N	-1	0	365.231	3.108	40	0		FGABRM
CCCNS(=O)(=O)c1ccc(NCCC2=CCCCC2)c(C(=O)[O-])c1	ZINC000217542484	519979608	/nfs/dbraw/zinc/97/96/08/519979608.db2.gz	ZCJXOAZSQAPSPH-UHFFFAOYSA-N	-1	0	366.483	3.376	40	0		FGABRM
CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1NCc1ccco1	ZINC000217525923	521060781	/nfs/dbraw/zinc/06/07/81/521060781.db2.gz	TYYZDIVYLHMESG-LBPRGKRZSA-N	-1	0	366.439	3.057	40	0		FGABRM
Cc1nc(-c2cncc(C(=O)[O-])c2)cc([C@@H]2CCCN2C(=O)C(C)(C)C)n1	ZINC000257275547	534867190	/nfs/dbraw/zinc/86/71/90/534867190.db2.gz	NPVWJFJHBRUCQP-KRWDZBQOSA-N	-1	0	368.437	3.255	40	0		FGABRM
CCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NC1CCCCCC1	ZINC000217449995	222671188	/nfs/dbraw/zinc/67/11/88/222671188.db2.gz	FSZYXTNMSUHXQH-UHFFFAOYSA-N	-1	0	354.472	3.208	40	0		FGABRM
O=C([O-])CNc1nc(Nc2cc(Cl)ccc2F)cc(-c2ccccc2)n1	ZINC000328966897	210126373	/nfs/dbraw/zinc/12/63/73/210126373.db2.gz	CORSZXQUYFAGOA-UHFFFAOYSA-N	-1	0	372.787	3.020	40	0		FGABRM
COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(-c3ccccc3C)[nH]n2)c1	ZINC000223257631	222771051	/nfs/dbraw/zinc/77/10/51/222771051.db2.gz	GRTAPFIPQDLTDX-UHFFFAOYSA-N	-1	0	373.434	3.203	40	0		FGABRM
C[C@@]1(c2cc[nH]n2)CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CCO1	ZINC000257244135	223035040	/nfs/dbraw/zinc/03/50/40/223035040.db2.gz	IJZUXEKQCOLDKV-FQEVSTJZSA-N	-1	0	367.405	3.116	40	0		FGABRM
O=C(N[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O)c1cccc(F)c1[O-]	ZINC000257310288	223060455	/nfs/dbraw/zinc/06/04/55/223060455.db2.gz	UEMUSMCJZJCJNA-ZHALLVOQSA-N	-1	0	359.397	3.012	40	0		FGABRM
O=C([O-])c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1	ZINC000013412125	220067119	/nfs/dbraw/zinc/06/71/19/220067119.db2.gz	OEFQUAQRSUIKPT-UHFFFAOYSA-N	-1	0	350.168	3.165	40	0		FGABRM
O=C([O-])c1cc(NC(=S)NC(=O)c2cccc3ccccc32)ccc1O	ZINC000020152224	211271411	/nfs/dbraw/zinc/27/14/11/211271411.db2.gz	VGLAKMSABYNHJH-UHFFFAOYSA-N	-1	0	366.398	3.370	40	0		FGABRM
CCCOc1ccc(C(=O)NC(=S)Nc2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000020152833	211270845	/nfs/dbraw/zinc/27/08/45/211270845.db2.gz	UIUUCTZZIAFMQR-UHFFFAOYSA-N	-1	0	374.418	3.006	40	0		FGABRM
Cc1nn(C(C)C)cc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(F)c1	ZINC000019583335	211238092	/nfs/dbraw/zinc/23/80/92/211238092.db2.gz	BVXZEFUECGWWRG-UHFFFAOYSA-N	-1	0	366.462	3.313	40	0		FGABRM
Cc1ccc2c(n1)[n-]cc(C(=O)Nc1nc(-c3ccccn3)cs1)c2=O	ZINC000019666365	211245831	/nfs/dbraw/zinc/24/58/31/211245831.db2.gz	FEWPVZHFKJPGEI-UHFFFAOYSA-N	-1	0	363.402	3.415	40	0		FGABRM
Cc1cccc(-c2cc(C[C@]3(C(=O)[O-])CCCN(C(=O)C4CC4)C3)on2)c1	ZINC000012366476	210948117	/nfs/dbraw/zinc/94/81/17/210948117.db2.gz	WLUAROSQONCKAZ-OAQYLSRUSA-N	-1	0	368.433	3.296	40	0		FGABRM
Cc1ccc(S(=O)(=O)N(CCC(=O)[O-])c2cccc(Cl)c2)cc1	ZINC000004759514	210562361	/nfs/dbraw/zinc/56/23/61/210562361.db2.gz	DTAFRSSVBSUCSC-UHFFFAOYSA-N	-1	0	353.827	3.318	40	0		FGABRM
O=C([O-])[C@H]1COC2(CCCCC2)N1C(=O)c1ccccc1Br	ZINC000071979764	221393108	/nfs/dbraw/zinc/39/31/08/221393108.db2.gz	CRIAXIWBCILGOP-CYBMUJFWSA-N	-1	0	368.227	3.035	40	0		FGABRM
O=C([O-])[C@H]1COC2(CCCCC2)N1C(=O)c1cccc(Br)c1	ZINC000071979746	221393131	/nfs/dbraw/zinc/39/31/31/221393131.db2.gz	AAZUVYWGJAIVAZ-CYBMUJFWSA-N	-1	0	368.227	3.035	40	0		FGABRM
COc1ccc([C@@H]2CC(C(=O)[O-])=Nc3nc4ccccc4n32)cc1OC	ZINC000102243899	222292752	/nfs/dbraw/zinc/29/27/52/222292752.db2.gz	WWDVWCCAKDMAQU-HNNXBMFYSA-N	-1	0	351.362	3.037	40	0		FGABRM
COC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccc3ccccc3c2)c1	ZINC000107317161	222391926	/nfs/dbraw/zinc/39/19/26/222391926.db2.gz	JGNOONUFNVXVQL-UHFFFAOYSA-N	-1	0	371.414	3.436	40	0		FGABRM
Cc1cc2c(c(=O)o1)[C@@H](c1ccc(Cl)cc1Cl)C(C(=O)[O-])=C(N)O2	ZINC000059416539	493906518	/nfs/dbraw/zinc/90/65/18/493906518.db2.gz	SLSSZDSEOBGZTK-LLVKDONJSA-N	-1	0	368.172	3.034	40	0		FGABRM
O=C([O-])c1ccccc1C(=O)Nc1cccc(I)c1	ZINC000005195954	493918659	/nfs/dbraw/zinc/91/86/59/493918659.db2.gz	XZXQVEWVNCFZHZ-UHFFFAOYSA-N	-1	0	367.142	3.242	40	0		FGABRM
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1	ZINC000006168212	493954484	/nfs/dbraw/zinc/95/44/84/493954484.db2.gz	VQTUPODTMYXTJH-VVBXCHJUSA-N	-1	0	368.389	3.119	40	0		FGABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)Nc1ccccc1Oc1ccccc1	ZINC000006731236	493976096	/nfs/dbraw/zinc/97/60/96/493976096.db2.gz	NXZHFGKDCHEKME-XDNAFOTISA-N	-1	0	351.358	3.072	40	0		FGABRM
Cc1n[nH]c(SC(=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)[O-])n1	ZINC000006959299	493990434	/nfs/dbraw/zinc/99/04/34/493990434.db2.gz	LAMUBCSZSDIPEV-ZROIWOOFSA-N	-1	0	371.378	3.030	40	0		FGABRM
C#CCOc1ccc(/C=C(\Sc2nnc(C)o2)C(=O)[O-])cc1OCC	ZINC000007603791	494029454	/nfs/dbraw/zinc/02/94/54/494029454.db2.gz	PITKGNPTUSRHRQ-GDNBJRDFSA-N	-1	0	360.391	3.007	40	0		FGABRM
O=C(/C=C/c1cc([N+](=O)[O-])ccc1[O-])N1CCCC[C@@H]1c1cccnc1	ZINC000036656458	494094459	/nfs/dbraw/zinc/09/44/59/494094459.db2.gz	YMDRYUYZFIPCEV-RCMYXZNBSA-N	-1	0	353.378	3.462	40	0		FGABRM
COc1ccc(N([C@H](C)CC(=O)[O-])S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000008638204	494098436	/nfs/dbraw/zinc/09/84/36/494098436.db2.gz	DNVMKYRSOLMCSJ-CQSZACIVSA-N	-1	0	363.435	3.062	40	0		FGABRM
CC(C)[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000009859468	494134306	/nfs/dbraw/zinc/13/43/06/494134306.db2.gz	RSKZHBCLJUBYSM-LBPRGKRZSA-N	-1	0	352.481	3.323	40	0		FGABRM
O=C([O-])[C@]1(Cc2cc(-c3ccccc3F)no2)CCCN(C(=O)C2CC2)C1	ZINC000012366460	494228146	/nfs/dbraw/zinc/22/81/46/494228146.db2.gz	TZNZWNONALKDNB-FQEVSTJZSA-N	-1	0	372.396	3.127	40	0		FGABRM
O=S(=O)([N-]c1cccc(O)c1)c1cnc(Cl)c(Br)c1	ZINC000026531606	494830826	/nfs/dbraw/zinc/83/08/26/494830826.db2.gz	TVUWRECCSDZXBZ-UHFFFAOYSA-N	-1	0	363.620	3.004	40	0		FGABRM
CC(C)Nc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(=O)[O-]	ZINC000217581786	496997990	/nfs/dbraw/zinc/99/79/90/496997990.db2.gz	SMSCFWCZBPBZER-UHFFFAOYSA-N	-1	0	354.472	3.206	40	0		FGABRM
CC(C)CNS(=O)(=O)c1ccc(NC2CCCCC2)c(C(=O)[O-])c1	ZINC000217553550	496998405	/nfs/dbraw/zinc/99/84/05/496998405.db2.gz	XCBAYISFFBLNOG-UHFFFAOYSA-N	-1	0	354.472	3.064	40	0		FGABRM
CCC[C@@H](C)NS(=O)(=O)c1ccc(N[C@@H](C)CCC)c(C(=O)[O-])c1	ZINC000217661762	496999310	/nfs/dbraw/zinc/99/93/10/496999310.db2.gz	GVMYTMDHVUISOD-QWHCGFSZSA-N	-1	0	356.488	3.452	40	0		FGABRM
COc1ccc(CNC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1C(=O)[O-]	ZINC000532252283	504586804	/nfs/dbraw/zinc/58/68/04/504586804.db2.gz	HKJJJQXKYLGLCK-NEPJUHHUSA-N	-1	0	359.344	3.378	40	0		FGABRM
Cc1cc2nc([C@H]3CCCCN3C(=O)Cc3cccs3)cc(=O)n2[n-]1	ZINC000257268791	534134906	/nfs/dbraw/zinc/13/49/06/534134906.db2.gz	MNFLTJIQJJTCAL-OAHLLOKOSA-N	-1	0	356.451	3.101	40	0		FGABRM
CCCc1nc(SC(=Cc2cc(Cl)c(O)c(OC)c2)C(=O)[O-])n[nH]1	ZINC000209155443	713564596	/nfs/dbraw/zinc/56/45/96/713564596.db2.gz	OBASGPSBKJZVGU-XFFZJAGNSA-N	-1	0	369.830	3.343	40	0		FGABRM
Cc1cc(C=O)c(C)n1N(CC(=O)[O-])C(=O)c1ccc(Cl)cc1Cl	ZINC000034776617	210248559	/nfs/dbraw/zinc/24/85/59/210248559.db2.gz	HOAGGUCBIYXIDD-UHFFFAOYSA-N	-1	0	369.204	3.087	40	0		FGABRM
COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1cccc(Cl)c1	ZINC000020258809	210172874	/nfs/dbraw/zinc/17/28/74/210172874.db2.gz	CWYHWFFUXKCRTA-UHFFFAOYSA-N	-1	0	364.810	3.174	40	0		FGABRM
CCCCNc1ccc(S(=O)(=O)NC2CCCCC2)cc1C(=O)[O-]	ZINC000217578368	222672451	/nfs/dbraw/zinc/67/24/51/222672451.db2.gz	PIXSZYAGUGVYGC-UHFFFAOYSA-N	-1	0	354.472	3.208	40	0		FGABRM
Cc1cc(Nc2cc(-c3ccccc3)nc(NCC(=O)[O-])n2)ccc1F	ZINC000329017363	210130979	/nfs/dbraw/zinc/13/09/79/210130979.db2.gz	NKZPZEDMBHDZMJ-UHFFFAOYSA-N	-1	0	352.369	3.253	40	0		FGABRM
CSc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cc(C)cc(C)c2)cc1	ZINC000224972893	222824522	/nfs/dbraw/zinc/82/45/22/222824522.db2.gz	CMRKOEBZWIMWET-UHFFFAOYSA-N	-1	0	365.476	3.305	40	0		FGABRM
CCCCOc1c(I)cc(OC)cc1C(=O)[O-]	ZINC000225280708	222832882	/nfs/dbraw/zinc/83/28/82/222832882.db2.gz	MIETXPWXLBOBKK-UHFFFAOYSA-N	-1	0	350.152	3.177	40	0		FGABRM
Cc1nnc([N-]c2cc([C@@H]3CCCCN3Cc3c[nH]cn3)nc(C)n2)s1	ZINC000257298903	223056989	/nfs/dbraw/zinc/05/69/89/223056989.db2.gz	RNUCLIRYFCGVBG-HNNXBMFYSA-N	-1	0	370.486	3.139	40	0		FGABRM
O=C([O-])c1ccccc1-c1ccc(CN2CCC[C@H]2c2cc(CO)n[nH]2)o1	ZINC000257345066	223073470	/nfs/dbraw/zinc/07/34/70/223073470.db2.gz	ZZUQIBKBGNBTLU-SFHVURJKSA-N	-1	0	367.405	3.197	40	0		FGABRM
COc1ccc(OCc2ncc(C(=O)[O-])c(NCc3ccccc3)n2)cc1	ZINC000049469884	211890253	/nfs/dbraw/zinc/89/02/53/211890253.db2.gz	QRLFTRBZNICFFO-UHFFFAOYSA-N	-1	0	365.389	3.375	40	0		FGABRM
CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](O)CC(=O)[C@H]1CCCCCCC(=O)[O-]	ZINC000034769068	211619918	/nfs/dbraw/zinc/61/99/18/211619918.db2.gz	GMVPRGQOIOIIMI-AIJKCLAYSA-N	-1	0	354.487	3.475	40	0		FGABRM
Cc1cc(NC(=O)c2cccc(Br)c2)cc(C(=O)[O-])c1O	ZINC000020137987	211269103	/nfs/dbraw/zinc/26/91/03/211269103.db2.gz	JIBBKMRLJSVRJR-UHFFFAOYSA-N	-1	0	350.168	3.414	40	0		FGABRM
COc1ccc(C(=O)[C@H](C)[C@@H](C)OC(=O)c2ccccc2C(=O)[O-])cc1	ZINC000001700412	210365320	/nfs/dbraw/zinc/36/53/20/210365320.db2.gz	SHIFCBQBXCFKMB-CHWSQXEVSA-N	-1	0	356.374	3.458	40	0		FGABRM
COc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)ccc1OCc1ccc(C)cc1	ZINC000000807732	210273542	/nfs/dbraw/zinc/27/35/42/210273542.db2.gz	OLLMFCQVPPGTLQ-QAPCUYQASA-N	-1	0	359.447	3.371	40	0		FGABRM
COc1ccc(-n2c(O)c(Cc3ccc(C(C)C)cc3)c(=O)[nH]c2=O)cc1	ZINC000001438775	132381977	/nfs/dbraw/zinc/38/19/77/132381977.db2.gz	JAWVWBOFGLJEBI-GOSISDBHSA-N	-1	0	366.417	3.260	40	0		FGABRM
O=C([O-])C1=Nc2nc(-c3ccccc3)nn2[C@H](c2c[nH]c3ccccc32)C1	ZINC000102335870	222295084	/nfs/dbraw/zinc/29/50/84/222295084.db2.gz	ILPQMUXTSSUKHR-KRWDZBQOSA-N	-1	0	357.373	3.410	40	0		FGABRM
CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)[O-])c2cc3ccccc3o2)CC1	ZINC000002527337	493811329	/nfs/dbraw/zinc/81/13/29/493811329.db2.gz	GIZPNRGDVRHGSI-MRXNPFEDSA-N	-1	0	360.410	3.111	40	0		FGABRM
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)cc1	ZINC000030871701	493910676	/nfs/dbraw/zinc/91/06/76/493910676.db2.gz	CNAQUJWGDXFBMY-UHFFFAOYSA-N	-1	0	367.430	3.443	40	0		FGABRM
CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](O)CC(=O)[C@H]1CCCCCCC(=O)[O-]	ZINC000005273628	493923078	/nfs/dbraw/zinc/92/30/78/493923078.db2.gz	GMVPRGQOIOIIMI-STWMMDNOSA-N	-1	0	354.487	3.475	40	0		FGABRM
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ccc(Nc3ccccc3)cc2)[C@H]2C=C[C@@H]1O2	ZINC000005338450	493925654	/nfs/dbraw/zinc/92/56/54/493925654.db2.gz	RGHBSLHUQUWPDI-OWSLCNJRSA-N	-1	0	350.374	3.023	40	0		FGABRM
Cc1ccc(S(=O)(=O)[N-]C(=O)NCc2ccc(Cl)cc2Cl)cc1	ZINC000005929559	493946624	/nfs/dbraw/zinc/94/66/24/493946624.db2.gz	NUMQMQBQNGVZJN-UHFFFAOYSA-N	-1	0	373.261	3.490	40	0		FGABRM
CCc1ccc(N2C(=O)/C(=C/c3ccc(C)cc3)C(=O)[N-]C2=S)cc1	ZINC000006168773	493953984	/nfs/dbraw/zinc/95/39/84/493953984.db2.gz	OHCNLEVKYGQJHM-SFQUDFHCSA-N	-1	0	350.443	3.389	40	0		FGABRM
O=C([O-])Cn1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc21	ZINC000007098596	494000760	/nfs/dbraw/zinc/00/07/60/494000760.db2.gz	VPANMFDTGRAXSO-AWQFTUOYSA-N	-1	0	355.781	3.143	40	0		FGABRM
Cc1nnc(S/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)[O-])o1	ZINC000007365713	494018712	/nfs/dbraw/zinc/01/87/12/494018712.db2.gz	NHAYIYLCEOIQIS-ZROIWOOFSA-N	-1	0	372.362	3.295	40	0		FGABRM
CCOc1cc(/C=C/C(=O)N[C@H](C)C(=O)[O-])ccc1OCc1ccccc1	ZINC000062715426	494021654	/nfs/dbraw/zinc/02/16/54/494021654.db2.gz	JIRCFVMNLMEJHO-HBIYDYFMSA-N	-1	0	369.417	3.267	40	0		FGABRM
Cc1ccccc1-n1cccc1/C=C1\C(=O)[N-]C(=O)N(C2CCCC2)C1=O	ZINC000007495299	494025481	/nfs/dbraw/zinc/02/54/81/494025481.db2.gz	WXTTUCAEFBAYPL-GHRIWEEISA-N	-1	0	363.417	3.190	40	0		FGABRM
Cc1cccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c1	ZINC000007495295	494025776	/nfs/dbraw/zinc/02/57/76/494025776.db2.gz	LNISJTXMUPUHJX-QGOAFFKASA-N	-1	0	363.417	3.190	40	0		FGABRM
COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1OC	ZINC000033899176	494064697	/nfs/dbraw/zinc/06/46/97/494064697.db2.gz	XPZFRURLRRMPKE-UHFFFAOYSA-N	-1	0	357.815	3.167	40	0		FGABRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=C3c4ccccc4NC3=O)C2=O)cc1	ZINC000038173165	494111540	/nfs/dbraw/zinc/11/15/40/494111540.db2.gz	CETAXVQNTDAXPU-NXVVXOECSA-N	-1	0	361.357	3.078	40	0		FGABRM
CCO[C@@H](C)O[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccccc1)c1ccccc1	ZINC000038244374	494112874	/nfs/dbraw/zinc/11/28/74/494112874.db2.gz	OKSZFAMAFLHYNJ-FHLIZLRMSA-N	-1	0	357.406	3.010	40	0		FGABRM
CNC(=O)C(=O)NCCCC/C=C\CCCCCCCCCC(=O)[O-]	ZINC000072108436	494128219	/nfs/dbraw/zinc/12/82/19/494128219.db2.gz	WKESFWWKRDQART-VURMDHGXSA-N	-1	0	354.491	3.171	40	0	in-vitro	FGABRM
Cc1ccc(-c2cc(C[C@@]3(C(=O)[O-])CCCN(C(=O)C4CC4)C3)on2)cc1	ZINC000012366483	494227672	/nfs/dbraw/zinc/22/76/72/494227672.db2.gz	UDUBSTPGBXYRBU-NRFANRHFSA-N	-1	0	368.433	3.296	40	0		FGABRM
Nc1c(O)ccc2c1Oc1c(N)c(O)ccc1C2c1ccccc1C(=O)[O-]	ZINC000027644343	494878838	/nfs/dbraw/zinc/87/88/38/494878838.db2.gz	FTTRACYICJLFFM-UHFFFAOYSA-N	-1	0	364.357	3.246	40	0	in-vitro	FGABRM
CCSc1nnc([N-]S(=O)(=O)Cc2c(F)cccc2Cl)s1	ZINC000222918389	497029345	/nfs/dbraw/zinc/02/93/45/497029345.db2.gz	MHCARSTVWUJOOY-UHFFFAOYSA-N	-1	0	367.880	3.385	40	0		FGABRM
CCCSc1nnc([N-]S(=O)(=O)c2ccc(OCC)cc2)s1	ZINC000223960406	497044812	/nfs/dbraw/zinc/04/48/12/497044812.db2.gz	DRSWFTHGQZZYLR-UHFFFAOYSA-N	-1	0	359.498	3.240	40	0		FGABRM
O=C([O-])CNc1nc(Nc2ccc(Cl)cc2)cc(-c2ccccc2)n1	ZINC000329045448	499023859	/nfs/dbraw/zinc/02/38/59/499023859.db2.gz	TVFWFULGXRXMJX-UHFFFAOYSA-N	-1	0	354.797	3.459	40	0		FGABRM
Cc1cc2nc(C3CCN(C(=O)c4sccc4C)CC3)cc(=O)n2[n-]1	ZINC000257204668	534132787	/nfs/dbraw/zinc/13/27/87/534132787.db2.gz	AVUSMHHSJAOEKX-UHFFFAOYSA-N	-1	0	356.451	3.133	40	0		FGABRM
CC(C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCC1=CCCCC1	ZINC000217453001	519741514	/nfs/dbraw/zinc/74/15/14/519741514.db2.gz	AXLCWHGUBWSXRM-UHFFFAOYSA-N	-1	0	366.483	3.374	40	0		FGABRM
CC/C=C/C[C@H](O)/C=C\[C@H]1[C@H](O)C[C@@H]2O/C(=C/CCCC(=O)[O-])C[C@H]12	ZINC000085534366	520200924	/nfs/dbraw/zinc/20/09/24/520200924.db2.gz	NCYSTSFUYSFMEO-QMNHUDSBSA-N	-1	0	350.455	3.185	40	0		FGABRM
O=C([O-])c1ccc(NCCC2=CCCCC2)c(S(=O)(=O)NC2CC2)c1	ZINC000217440523	526378495	/nfs/dbraw/zinc/37/84/95/526378495.db2.gz	YJIWHOXDFIMYQA-UHFFFAOYSA-N	-1	0	364.467	3.128	40	0		FGABRM
CC(C)(C)c1ccc(C(=O)NC(=S)NCc2ccc(C(=O)[O-])cc2)cc1	ZINC000020151660	570884407	/nfs/dbraw/zinc/88/44/07/570884407.db2.gz	JKQFZJOISLOIGP-UHFFFAOYSA-N	-1	0	370.474	3.487	40	0		FGABRM
Cc1c2ccccc2oc1C(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1	ZINC000257262524	223042095	/nfs/dbraw/zinc/04/20/95/223042095.db2.gz	LLTDHXBTDNCMNX-UHFFFAOYSA-N	-1	0	354.362	3.447	40	0		FGABRM
CCc1nnc([N-]c2cc([C@@H]3CCCN3Cc3cc[nH]n3)nc(C)n2)s1	ZINC000257303788	223058426	/nfs/dbraw/zinc/05/84/26/223058426.db2.gz	SISUIZMGRUIVPJ-AWEZNQCLSA-N	-1	0	370.486	3.003	40	0		FGABRM
O=C([O-])c1ccccc1-c1ccc(CN2CCC[C@@H]2c2cc(CO)n[nH]2)o1	ZINC000257345065	223072999	/nfs/dbraw/zinc/07/29/99/223072999.db2.gz	ZZUQIBKBGNBTLU-GOSISDBHSA-N	-1	0	367.405	3.197	40	0		FGABRM
Cc1cc(C)c(Nc2cc(-c3ccccc3)nc(NCC(=O)[O-])n2)c(C)c1	ZINC000329041354	223131227	/nfs/dbraw/zinc/13/12/27/223131227.db2.gz	SITZRMXJXFLRNB-UHFFFAOYSA-N	-1	0	362.433	3.153	40	0		FGABRM
COc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)cc(OC)c1OC	ZINC000013167621	220060830	/nfs/dbraw/zinc/06/08/30/220060830.db2.gz	UHPDUQJAJWOXHJ-UHFFFAOYSA-N	-1	0	365.769	3.316	40	0		FGABRM
O=C([O-])c1ccc(NC(=O)c2cccc(I)c2)cc1	ZINC000013166481	220060918	/nfs/dbraw/zinc/06/09/18/220060918.db2.gz	YPJDUCKOTLUKDB-UHFFFAOYSA-N	-1	0	367.142	3.242	40	0		FGABRM
CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](CCCCCCC(=O)[O-])[C@H](O)C[C@@H]1O	ZINC000014819945	220134069	/nfs/dbraw/zinc/13/40/69/220134069.db2.gz	DZUXGQBLFALXCR-MBOYTVKESA-N	-1	0	356.503	3.267	40	0	in-vitro	FGABRM
CC(C)(C)OC(=O)N[C@@H](CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000016697013	220191020	/nfs/dbraw/zinc/19/10/20/220191020.db2.gz	DMJBIYDCCUIVGN-ZDUSSCGKSA-N	-1	0	372.462	3.002	40	0		FGABRM
Cc1ccc(C)c(N2C(=O)C[C@H](Sc3ccccc3C(=O)[O-])C2=O)c1	ZINC000016899677	220195701	/nfs/dbraw/zinc/19/57/01/220195701.db2.gz	KYNILZXPMBBYCN-INIZCTEOSA-N	-1	0	355.415	3.426	40	0		FGABRM
COc1ccc(-c2nc(N)cc(Nc3ccccc3C(=O)[O-])n2)cc1OC	ZINC000049468232	221023262	/nfs/dbraw/zinc/02/32/62/221023262.db2.gz	NIMPXKPCMIWXDK-UHFFFAOYSA-N	-1	0	366.377	3.185	40	0		FGABRM
COc1cccc(N2[C@H]3CCCN(C(=O)CCCC(=O)[O-])[C@H]3CC2(C)C)c1	ZINC000257214505	533590016	/nfs/dbraw/zinc/59/00/16/533590016.db2.gz	CMFLVGGGOFLOSB-ROUUACIJSA-N	-1	0	374.481	3.298	40	0		FGABRM
O=C([O-])[C@H](c1cc2ccccc2[nH]1)N1CCN(c2ccc(F)cc2)CC1	ZINC000097447444	132229287	/nfs/dbraw/zinc/22/92/87/132229287.db2.gz	KNZZXWYUBWGYQQ-IBGZPJMESA-N	-1	0	353.397	3.255	40	0		FGABRM
Cc1cc(C)c(-c2nc(N3CCN(C)CC3)sc2CC(=O)[O-])cc1C	ZINC000095097123	221847954	/nfs/dbraw/zinc/84/79/54/221847954.db2.gz	XDCARCFKAFHBQB-UHFFFAOYSA-N	-1	0	359.495	3.114	40	0		FGABRM
C[C@@H](NC(=O)c1ccccn1)c1c(-c2ccc(F)cc2)noc1C(=O)[O-]	ZINC000096296867	222112139	/nfs/dbraw/zinc/11/21/39/222112139.db2.gz	NZQKJGLVCFQPCU-SNVBAGLBSA-N	-1	0	355.325	3.065	40	0	biogenic,in-vitro	FGABRM
O=C([O-])c1ccc(N2C(=O)c3ccc4c5c(ccc(c53)C2=O)CC4)cc1O	ZINC000059500209	263421083	/nfs/dbraw/zinc/42/10/83/263421083.db2.gz	YTYPJEQETZYGPO-UHFFFAOYSA-N	-1	0	359.337	3.143	40	0		FGABRM
C[C@@]12CC[C@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@H]3[C@H]1CCC2=O	ZINC000002029337	493799961	/nfs/dbraw/zinc/79/99/61/493799961.db2.gz	JKKFKPJIXZFSSB-BVIKNXMNSA-N	-1	0	350.436	3.293	40	0		FGABRM
CCCCC[C@H](O)/C=C\[C@H]1[C@H](O)C[C@H](O)[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000031372738	493940730	/nfs/dbraw/zinc/94/07/30/493940730.db2.gz	PXGPLTODNUVGFL-QKKUTBSASA-N	-1	0	354.487	3.043	40	0		FGABRM
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@H]1CCCCCCC(=O)[O-]	ZINC000005978187	493947851	/nfs/dbraw/zinc/94/78/51/493947851.db2.gz	GMVPRGQOIOIIMI-JCPCGATGSA-N	-1	0	354.487	3.475	40	0	endogenous,in-man	FGABRM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1	ZINC000005977174	493948077	/nfs/dbraw/zinc/94/80/77/493948077.db2.gz	GREDRFZVQPNQSC-UHFFFAOYSA-N	-1	0	351.424	3.292	40	0		FGABRM
CCO[C@H](C)O[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccccc1)c1ccccc1	ZINC000038244375	494112584	/nfs/dbraw/zinc/11/25/84/494112584.db2.gz	OKSZFAMAFLHYNJ-JCGIZDLHSA-N	-1	0	357.406	3.010	40	0		FGABRM
COc1cccc(CN2CCC[C@@H]2c2cncc([N-]c3nncs3)n2)c1	ZINC000072376261	494160095	/nfs/dbraw/zinc/16/00/95/494160095.db2.gz	LAFUTPRVYUHJHG-MRXNPFEDSA-N	-1	0	368.466	3.417	40	0		FGABRM
COCCNc1c(-c2cc(Cl)c([O-])c(Cl)c2)nc2cnccn21	ZINC000012113836	494205015	/nfs/dbraw/zinc/20/50/15/494205015.db2.gz	CWJOUQKSQPTVDU-UHFFFAOYSA-N	-1	0	353.209	3.467	40	0		FGABRM
CC/C=C/C[C@H](O)/C=C\[C@H]1[C@H](O)C[C@@H]2O/C(=C\CCCC(=O)[O-])C[C@H]12	ZINC000013521645	494288000	/nfs/dbraw/zinc/28/80/00/494288000.db2.gz	NCYSTSFUYSFMEO-YDWUPHHJSA-N	-1	0	350.455	3.185	40	0		FGABRM
CCCOc1ccc(C(=O)NC(=S)Nc2ccc(CC(=O)[O-])cc2)cc1	ZINC000020152829	494468524	/nfs/dbraw/zinc/46/85/24/494468524.db2.gz	UUBLHVMMGVUWRS-UHFFFAOYSA-N	-1	0	372.446	3.229	40	0		FGABRM
CC(C)(C)OC(=O)N[C@@H]1CCN([C@H](C(=O)[O-])c2cc3ccccc3o2)C1	ZINC000095627616	494989876	/nfs/dbraw/zinc/98/98/76/494989876.db2.gz	UAPKFNWHBNHYLU-CJNGLKHVSA-N	-1	0	360.410	3.158	40	0		FGABRM
O=c1cc(CSc2ccc(Cl)cc2)nc2[n-]c(C(F)(F)F)nn21	ZINC000105329842	495356787	/nfs/dbraw/zinc/35/67/87/495356787.db2.gz	HALNBTZARGTTNZ-UHFFFAOYSA-N	-1	0	360.748	3.382	40	0		FGABRM
CCCCC[C@H](O)/C=C\[C@H]1C(=O)C[C@H](O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000144684146	495547652	/nfs/dbraw/zinc/54/76/52/495547652.db2.gz	CIMMACURCPXICP-IWCVDVNYSA-N	-1	0	354.487	3.475	40	0		FGABRM
O=C([O-])CCCCCOC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21	ZINC000247425672	496856954	/nfs/dbraw/zinc/85/69/54/496856954.db2.gz	SJVKODBBFQHRII-MRXNPFEDSA-N	-1	0	369.417	3.395	40	0		FGABRM
O=C([O-])c1cc(S(=O)(=O)NC2CCCCC2)ccc1NC1CCCC1	ZINC000217579029	496998452	/nfs/dbraw/zinc/99/84/52/496998452.db2.gz	LDQLEFSZJKSLED-UHFFFAOYSA-N	-1	0	366.483	3.350	40	0		FGABRM
COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)ccc1C	ZINC000223798081	497043167	/nfs/dbraw/zinc/04/31/67/497043167.db2.gz	RQWGNKGBOFSQNZ-UHFFFAOYSA-N	-1	0	369.826	3.244	40	0		FGABRM
CCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NCc1ccccc1	ZINC000217420272	520693242	/nfs/dbraw/zinc/69/32/42/520693242.db2.gz	VVSBERPFKWMPFB-UHFFFAOYSA-N	-1	0	362.451	3.075	40	0		FGABRM
CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCN(C(=O)CCCC(=O)[O-])[C@@H]3C[C@@H]21	ZINC000257240832	527816600	/nfs/dbraw/zinc/81/66/00/527816600.db2.gz	HVIVCWPWQVMJSB-NVALYEJGSA-N	-1	0	373.449	3.160	40	0		FGABRM
CC(C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1Cl	ZINC000409134477	570730670	/nfs/dbraw/zinc/73/06/70/570730670.db2.gz	TZBIWZGRDIEZLT-WUXMJOGZSA-N	-1	0	355.799	3.248	40	0		FGABRM
CCc1[nH]c2ccc(C(=O)[N-]S(=O)(=O)c3ccc(F)cc3)cc2c1C	ZINC000257200135	529462721	/nfs/dbraw/zinc/46/27/21/529462721.db2.gz	ACDSQZMUYAIRIV-UHFFFAOYSA-N	-1	0	360.410	3.297	40	0		FGABRM
Cc1c(C)n(C)c2ccc(C(=O)[N-]S(=O)(=O)c3ccc(F)cc3)cc12	ZINC000257230838	223029154	/nfs/dbraw/zinc/02/91/54/223029154.db2.gz	GEDJHRDABLCJEW-UHFFFAOYSA-N	-1	0	360.410	3.053	40	0		FGABRM
Cc1nnc([N-]c2cc([C@H]3CCCCN3Cc3cc[nH]n3)nc(C)n2)s1	ZINC000257305121	223059580	/nfs/dbraw/zinc/05/95/80/223059580.db2.gz	SOMRNMBHIASCFL-OAHLLOKOSA-N	-1	0	370.486	3.139	40	0		FGABRM
Cc1cc(F)ccc1Nc1cc(-c2ccccc2)nc(NCC(=O)[O-])n1	ZINC000329064316	223131853	/nfs/dbraw/zinc/13/18/53/223131853.db2.gz	XJAYHOOPANQOQD-UHFFFAOYSA-N	-1	0	352.369	3.253	40	0		FGABRM
O=c1c2c(nc3cc(C4CC4)[n-]n31)CCN(Cc1ccc(F)cc1F)C2	ZINC000012667058	220016757	/nfs/dbraw/zinc/01/67/57/220016757.db2.gz	UZBOHELCXARLEQ-UHFFFAOYSA-N	-1	0	356.376	3.149	40	0		FGABRM
O=C([O-])[C@@H]1CN(C(=O)c2ccc(Cl)cc2Cl)c2ccccc2O1	ZINC000013434755	132306684	/nfs/dbraw/zinc/30/66/84/132306684.db2.gz	FDCWBANAVBNQHU-AWEZNQCLSA-N	-1	0	352.173	3.486	40	0		FGABRM
C[C@@H](NC(=O)Nc1cccnc1)c1onc(-c2ccc(F)cc2)c1C(=O)[O-]	ZINC000096297076	222112378	/nfs/dbraw/zinc/11/23/78/222112378.db2.gz	UDCYVHBZCQHPDB-SNVBAGLBSA-N	-1	0	370.340	3.457	40	0	biogenic,in-vitro	FGABRM
Cc1ccc(-c2c[n-]n3c2nc(CCc2c(C)nc(N)nc2C)cc3=O)cc1	ZINC000100732984	222250522	/nfs/dbraw/zinc/25/05/22/222250522.db2.gz	NFEOZFAJKWRTKG-UHFFFAOYSA-N	-1	0	374.448	3.185	40	0		FGABRM
Cc1nc(C)n([C@H](C)Cc2cc(=O)n3[n-]cc(-c4ccc(C)cc4)c3n2)n1	ZINC000100776299	222253028	/nfs/dbraw/zinc/25/30/28/222253028.db2.gz	VUPRMCBNLQDNTN-CYBMUJFWSA-N	-1	0	362.437	3.422	40	0		FGABRM
COc1cc([O-])c2c(c1)occ(-c1cc(OC)c(OC)cc1OC)c2=O	ZINC000004716517	493888896	/nfs/dbraw/zinc/88/88/96/493888896.db2.gz	KCWRISNCTMEKEV-UHFFFAOYSA-N	-1	0	358.346	3.200	40	0		FGABRM
CCCOc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2)cc1	ZINC000005864617	493944635	/nfs/dbraw/zinc/94/46/35/493944635.db2.gz	DXMYLILDEQNZKX-UHFFFAOYSA-N	-1	0	358.419	3.300	40	0		FGABRM
CCc1ccc(N2C(=O)/C(=C/c3ccc(C)s3)C(=O)[N-]C2=S)cc1	ZINC000006168775	493954132	/nfs/dbraw/zinc/95/41/32/493954132.db2.gz	WUJQBLVKGZZBHW-XNTDXEJSSA-N	-1	0	356.472	3.450	40	0		FGABRM
O=C([O-])c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1	ZINC000007604176	494029287	/nfs/dbraw/zinc/02/92/87/494029287.db2.gz	LXUHLGBRTVFEPY-UHFFFAOYSA-N	-1	0	350.168	3.165	40	0		FGABRM
COc1cc(/C=C2/NC(=O)[N-]C2=O)ccc1OCc1ccc(Cl)cc1	ZINC000033665394	494062392	/nfs/dbraw/zinc/06/23/92/494062392.db2.gz	CDSFHFZAYKKRJQ-RIYZIHGNSA-N	-1	0	358.781	3.108	40	0		FGABRM
COc1cc(OC)cc([C@H](CC(=O)[O-])NC(=O)OCc2ccccc2)c1	ZINC000038580574	494114496	/nfs/dbraw/zinc/11/44/96/494114496.db2.gz	GYZSHZZHYOWILV-KRWDZBQOSA-N	-1	0	359.378	3.146	40	0		FGABRM
CCCCc1ccc(-n2nnc(C(=O)[O-])c2CSc2ncccn2)cc1	ZINC000085398293	494121191	/nfs/dbraw/zinc/12/11/91/494121191.db2.gz	AGBGVUMFIBNTPM-UHFFFAOYSA-N	-1	0	369.450	3.390	40	0		FGABRM
CC/C=C\C[C@H](O)/C=C/[C@H]1C(=O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000043772059	494317741	/nfs/dbraw/zinc/31/77/41/494317741.db2.gz	ANOICLBSJIMQTA-LPFFLQMXSA-N	-1	0	350.455	3.027	40	0	in-vitro	FGABRM
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCCC(=O)[O-])cc1	ZINC000044022273	494336054	/nfs/dbraw/zinc/33/60/54/494336054.db2.gz	HUDPDNJSHLYMLA-MRJXLTKZSA-N	-1	0	356.422	3.142	40	0		FGABRM
O=C([O-])c1cc(NC(=S)NC(=O)c2ccc3ccccc3c2)ccc1O	ZINC000020152257	494468961	/nfs/dbraw/zinc/46/89/61/494468961.db2.gz	PKSLWOIXNXDQPE-UHFFFAOYSA-N	-1	0	366.398	3.370	40	0		FGABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)c1	ZINC000108022134	494636067	/nfs/dbraw/zinc/63/60/67/494636067.db2.gz	QNMCCXPUMXAMPX-UHFFFAOYSA-N	-1	0	366.870	3.459	40	0		FGABRM
CC(=O)C[C@H](c1ccc2c(c1)OCO2)c1c([O-])c2ccccc2oc1=O	ZINC000104181535	495271267	/nfs/dbraw/zinc/27/12/67/495271267.db2.gz	AXHUDFAOFSLOGU-CQSZACIVSA-N	-1	0	352.342	3.338	40	0		FGABRM
O=C([O-])c1cc(Cl)c(I)c(Br)c1	ZINC000162580379	496376602	/nfs/dbraw/zinc/37/66/02/496376602.db2.gz	RSRMULSKFRYECX-UHFFFAOYSA-N	-1	0	361.360	3.405	40	0		FGABRM
CC(C)NS(=O)(=O)c1ccc(NCCC2=CCCCC2)c(C(=O)[O-])c1	ZINC000217546227	496997889	/nfs/dbraw/zinc/99/78/89/496997889.db2.gz	SZIVXMLUYXCFDI-UHFFFAOYSA-N	-1	0	366.483	3.374	40	0		FGABRM
CC(C)Nc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C(=O)[O-]	ZINC000217607387	496999436	/nfs/dbraw/zinc/99/94/36/496999436.db2.gz	IYORXMSOPJIJNE-ZDUSSCGKSA-N	-1	0	362.451	3.245	40	0		FGABRM
Cc1ccc(S(=O)(=O)[C@H]2[C@@H](C(=O)[O-])[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000218394019	497002222	/nfs/dbraw/zinc/00/22/22/497002222.db2.gz	KEBPDVFKWWZVNR-HRCADAONSA-N	-1	0	350.823	3.289	40	0		FGABRM
Cc1cccc(C)c1[N-]S(=O)(=O)c1cc2oc(=O)n(C)c2cc1Cl	ZINC000223342771	497036435	/nfs/dbraw/zinc/03/64/35/497036435.db2.gz	SRMLQCBFAXQSQU-UHFFFAOYSA-N	-1	0	366.826	3.203	40	0		FGABRM
Cc1ccc([N-]S(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)c(C)c1	ZINC000223342603	497036708	/nfs/dbraw/zinc/03/67/08/497036708.db2.gz	CLSVEXFFWWGURK-UHFFFAOYSA-N	-1	0	366.826	3.203	40	0		FGABRM
Cc1ccccc1N(CC(=O)[O-])S(=O)(=O)c1ccc2ccccc2c1	ZINC000225041911	497055441	/nfs/dbraw/zinc/05/54/41/497055441.db2.gz	XVUHKCANHYZQSA-UHFFFAOYSA-N	-1	0	355.415	3.428	40	0		FGABRM
COc1ccc(S(=O)(=O)[N-]c2nnc(SCC(C)C)s2)cc1	ZINC000225015437	497055634	/nfs/dbraw/zinc/05/56/34/497055634.db2.gz	LPXJNAFSLVCLSZ-UHFFFAOYSA-N	-1	0	359.498	3.096	40	0		FGABRM
N=c1[n-]nc(SCC(=O)N2c3ccccc3S[C@@H]3C=CC=C[C@@H]32)s1	ZINC000408543862	499591975	/nfs/dbraw/zinc/59/19/75/499591975.db2.gz	SCRGVZCIZKEYBH-CMPLNLGQSA-N	-1	0	374.516	3.045	40	0		FGABRM
O=C([O-])c1c(OCC2CC2)cnc2cc(I)ccc21	ZINC000685937078	571318957	/nfs/dbraw/zinc/31/89/57/571318957.db2.gz	KAISZAYENMKMPE-UHFFFAOYSA-N	-1	0	369.158	3.326	40	0		FGABRM
Cc1cccc(-c2cc(C[C@@]3(C(=O)[O-])CCCN(C(=O)C4CC4)C3)on2)c1	ZINC000012366475	219985772	/nfs/dbraw/zinc/98/57/72/219985772.db2.gz	WLUAROSQONCKAZ-NRFANRHFSA-N	-1	0	368.433	3.296	40	0		FGABRM
O=C([O-])c1cccc(OCC(=O)Nc2ccc(Br)cc2)c1	ZINC000013079934	220057131	/nfs/dbraw/zinc/05/71/31/220057131.db2.gz	AQVNVXXLZAOJHF-UHFFFAOYSA-N	-1	0	350.168	3.165	40	0		FGABRM
COc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1Br	ZINC000013259524	220062302	/nfs/dbraw/zinc/06/23/02/220062302.db2.gz	DPHPLKIQQGUGET-UHFFFAOYSA-N	-1	0	350.168	3.408	40	0		FGABRM
CCCCC[C@@H](O)/C=C/[C@H]1C(=O)C[C@@H](O)[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000013339034	220064923	/nfs/dbraw/zinc/06/49/23/220064923.db2.gz	BHMBVRSPMRCCGG-KIUOMDKCSA-N	-1	0	352.471	3.251	40	0	in-vitro	FGABRM
CCCCCC(=O)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@H](O)C[C@@H]1O	ZINC000013515357	220070828	/nfs/dbraw/zinc/07/08/28/220070828.db2.gz	VKTIONYPMSCHQI-PIFCNHPMSA-N	-1	0	354.487	3.475	40	0	in-vitro	FGABRM
COc1cc(/C=C/C(=O)[O-])cc(I)c1OC(C)C	ZINC000013747714	220092652	/nfs/dbraw/zinc/09/26/52/220092652.db2.gz	GONKLAPESYGNDF-SNAWJCMRSA-N	-1	0	362.163	3.185	40	0		FGABRM
COc1ccc(C(=O)Nc2cc(C(=O)[O-])cc(Cl)c2OC)cc1OC	ZINC000020143209	220316573	/nfs/dbraw/zinc/31/65/73/220316573.db2.gz	NLVAYTWVKQWNOL-UHFFFAOYSA-N	-1	0	365.769	3.316	40	0		FGABRM
CCSc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)OC)c1	ZINC000055648923	221072807	/nfs/dbraw/zinc/07/28/07/221072807.db2.gz	QPYFCOKASGFKMD-UHFFFAOYSA-N	-1	0	351.449	3.386	40	0		FGABRM
C[C@@H](NC(=O)c1cccn1C)c1c(-c2ccc(F)cc2)noc1C(=O)[O-]	ZINC000096296864	222112199	/nfs/dbraw/zinc/11/21/99/222112199.db2.gz	CNADYYXECCIEEW-SNVBAGLBSA-N	-1	0	357.341	3.008	40	0	biogenic,in-vitro	FGABRM
O=C([O-])CCCCCC[C@@H]1C(=O)NC(=O)[C@@H]1CC[C@@H](O)C1CCCCC1	ZINC000100013229	222231188	/nfs/dbraw/zinc/23/11/88/222231188.db2.gz	QDVVSQBTMYMOHR-GVDBMIGSSA-N	-1	0	367.486	3.022	40	0	in-vitro	FGABRM
O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)N1CCC(Cc2ccccc2)CC1	ZINC000102662404	222304116	/nfs/dbraw/zinc/30/41/16/222304116.db2.gz	MPAMPYQNHQCHKW-ZGXWSNOMSA-N	-1	0	353.462	3.381	40	0		FGABRM
CSCC[C@@H](NC(=O)c1c(C)onc1-c1ccccc1Cl)C(=O)[O-]	ZINC000002488630	263145238	/nfs/dbraw/zinc/14/52/38/263145238.db2.gz	CZNSXXIARWZNBS-GFCCVEGCSA-N	-1	0	368.842	3.240	40	0		FGABRM
O=c1c([C@@H](O)c2ccc(F)cc2)c(C(F)(F)F)[n-]n1-c1ccccc1	ZINC000005603874	263342602	/nfs/dbraw/zinc/34/26/02/263342602.db2.gz	LJBVEUYYLADQPN-KGLIPLIRSA-N	-1	0	352.287	3.440	40	0		FGABRM
CCCCC[C@H](O)/C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000012503177	263370662	/nfs/dbraw/zinc/37/06/62/263370662.db2.gz	GMVPRGQOIOIIMI-VJFCMHMDSA-N	-1	0	354.487	3.475	40	0	endogenous,fda	FGABRM
COc1cc(OCc2ccccc2)c2c(CCC(=O)[O-])cc(=O)oc2c1	ZINC000001708622	493798414	/nfs/dbraw/zinc/79/84/14/493798414.db2.gz	NXJIKRBFQOSGGP-UHFFFAOYSA-N	-1	0	354.358	3.398	40	0		FGABRM
CC(C)(C)OC(=O)N1C[C@@H](c2cccc(Br)c2)[C@H](C(=O)[O-])C1	ZINC000004241608	493869118	/nfs/dbraw/zinc/86/91/18/493869118.db2.gz	WLZJBSBJNUMFEY-QWHCGFSZSA-N	-1	0	370.243	3.484	40	0		FGABRM
CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000004566514	493882819	/nfs/dbraw/zinc/88/28/19/493882819.db2.gz	LKIWMMSLOPLVFO-XWUBHJNHSA-N	-1	0	363.435	3.003	40	0		FGABRM
COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C(=O)[O-])N1C(C)=O	ZINC000005378135	493927878	/nfs/dbraw/zinc/92/78/78/493927878.db2.gz	FBUGOKAFLIOBAK-FXAWDEMLSA-N	-1	0	364.401	3.124	40	0		FGABRM
O=S(=O)([O-])c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl	ZINC000006133537	493953390	/nfs/dbraw/zinc/95/33/90/493953390.db2.gz	BOFBZYMXKAGSSH-UHFFFAOYSA-O	-1	0	358.226	3.057	40	0		FGABRM
CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1	ZINC000006368755	493961414	/nfs/dbraw/zinc/96/14/14/493961414.db2.gz	ZRGSCDQAVOEZBQ-UHFFFAOYSA-N	-1	0	352.843	3.117	40	0		FGABRM
O=c1c2c(nc(-c3ccccc3)c(Cl)c2[O-])[nH]n1-c1ccc(F)cc1	ZINC000008021101	494060574	/nfs/dbraw/zinc/06/05/74/494060574.db2.gz	SCULOXNRDQOYDT-UHFFFAOYSA-N	-1	0	355.756	3.467	40	0		FGABRM
CCCCC/C=C\C[C@@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/[C@@H](O)CCCC(=O)[O-]	ZINC000169622139	496716406	/nfs/dbraw/zinc/71/64/06/496716406.db2.gz	RZCPXIZGLPAGEV-HIGBTYBHSA-N	-1	0	354.487	3.043	40	0	in-vitro	FGABRM
CC(C)Cn1nc(-c2cccc(Br)c2)cc(C(=O)[O-])c1=O	ZINC000225963351	497079600	/nfs/dbraw/zinc/07/96/00/497079600.db2.gz	RYIAFAMSUJWDRT-UHFFFAOYSA-N	-1	0	351.200	3.027	40	0		FGABRM
CCCCCNS(=O)(=O)c1ccc(NCc2ccco2)c(C(=O)[O-])c1	ZINC000217650100	520225877	/nfs/dbraw/zinc/22/58/77/520225877.db2.gz	CJHGKZGNTGIIGI-UHFFFAOYSA-N	-1	0	366.439	3.058	40	0		FGABRM
Cc1ccc2[nH]c(C[C@H]3CN(C(=O)CC(C)C)CC[C@H]3CC(=O)[O-])nc2c1	ZINC000514288423	560034885	/nfs/dbraw/zinc/03/48/85/560034885.db2.gz	DWHILOQSYMCGFS-HOTGVXAUSA-N	-1	0	371.481	3.399	40	0	biogenic,in-vitro	FGABRM
CCCCCNc1ccc(S(=O)(=O)NCCC(C)C)cc1C(=O)[O-]	ZINC000217654830	222673645	/nfs/dbraw/zinc/67/36/45/222673645.db2.gz	PSDPJUOAGQSYAN-UHFFFAOYSA-N	-1	0	356.488	3.311	40	0		FGABRM
Cc1c[nH]nc1C1CN(Cc2ncc(-c3ccccc3C(=O)[O-])s2)C1	ZINC000257238009	223032214	/nfs/dbraw/zinc/03/22/14/223032214.db2.gz	HJEUIBVJPVRCIK-UHFFFAOYSA-N	-1	0	354.435	3.139	40	0		FGABRM
Cc1nc(=O)c2nsc(C(=O)Nc3cccc(C(F)(F)F)c3)c2[n-]1	ZINC000013564086	220075346	/nfs/dbraw/zinc/07/53/46/220075346.db2.gz	AXRUUMHBYNWZSV-UHFFFAOYSA-N	-1	0	354.313	3.371	40	0		FGABRM
CCOCCCN1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@@H]1c1ccccc1	ZINC000049466830	221023044	/nfs/dbraw/zinc/02/30/44/221023044.db2.gz	WLGFTAWOOONNQM-MOPGFXCFSA-N	-1	0	353.418	3.479	40	0		FGABRM
CCOCCCN1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@@H]1c1ccccc1	ZINC000049466837	221023373	/nfs/dbraw/zinc/02/33/73/221023373.db2.gz	WLGFTAWOOONNQM-OALUTQOASA-N	-1	0	353.418	3.479	40	0		FGABRM
C[C@@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@@H]3[C@@H]1CCC2=O	ZINC000001529463	493796821	/nfs/dbraw/zinc/79/68/21/493796821.db2.gz	JKKFKPJIXZFSSB-MUQADHOPSA-N	-1	0	350.436	3.293	40	0	in-vitro	FGABRM
CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])c2cc3ccccc3o2)C1	ZINC000002527364	493811062	/nfs/dbraw/zinc/81/10/62/493811062.db2.gz	UAPKFNWHBNHYLU-CZUORRHYSA-N	-1	0	360.410	3.158	40	0		FGABRM
O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000004809286	493893231	/nfs/dbraw/zinc/89/32/31/493893231.db2.gz	PCCACAYWZLOSDS-QMTMVMCOSA-N	-1	0	370.474	3.406	40	0		FGABRM
CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000004894619	493898665	/nfs/dbraw/zinc/89/86/65/493898665.db2.gz	BTLIHKKZGABIKM-QOBDMFJFSA-N	-1	0	365.451	3.173	40	0		FGABRM
O=C([O-])CSc1nnc2n(Cc3ccccc3F)c3ccccc3n12	ZINC000004891002	493899217	/nfs/dbraw/zinc/89/92/17/493899217.db2.gz	QABNHDKAIKWMQM-UHFFFAOYSA-N	-1	0	356.382	3.048	40	0		FGABRM
C[C@H](Sc1nnc(-c2cccnc2)n1CCc1ccccc1)C(=O)[O-]	ZINC000005018139	493908276	/nfs/dbraw/zinc/90/82/76/493908276.db2.gz	SWYOBKPVNVDHNA-ZDUSSCGKSA-N	-1	0	354.435	3.148	40	0		FGABRM
CC(C)[C@H](N[C@H]1CC(c2ccc(Oc3ccccc3)cc2)=NN1)C(=O)[O-]	ZINC000005559500	493935001	/nfs/dbraw/zinc/93/50/01/493935001.db2.gz	UZKYYNQEEOZFSO-MOPGFXCFSA-N	-1	0	353.422	3.201	40	0		FGABRM
CCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)cc1	ZINC000006323174	493959277	/nfs/dbraw/zinc/95/92/77/493959277.db2.gz	ZGMIMFXJPYSGPI-UHFFFAOYSA-N	-1	0	362.451	3.026	40	0		FGABRM
CC(C)/N=C1\S/C(=C/c2ccc(OCC(=O)[O-])cc2)C(=O)N1C(C)C	ZINC000006324930	493959300	/nfs/dbraw/zinc/95/93/00/493959300.db2.gz	VPOSBHFDPALIRX-MIQHFYGNSA-N	-1	0	362.451	3.239	40	0		FGABRM
CCc1nnc(S/C(=C\c2cc(Cl)c(O)c(OC)c2)C(=O)[O-])o1	ZINC000007508335	494026470	/nfs/dbraw/zinc/02/64/70/494026470.db2.gz	QGHGNEXXYHXCEH-POHAHGRESA-N	-1	0	356.787	3.217	40	0		FGABRM
CCOc1ccc(-c2nc(NC(C)=O)sc2CC(=O)[O-])cc1OCC	ZINC000085397436	494120446	/nfs/dbraw/zinc/12/04/46/494120446.db2.gz	QOFLCGYSSUVAMB-UHFFFAOYSA-N	-1	0	364.423	3.193	40	0		FGABRM
CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])c(O)c2)cc1	ZINC000020151635	494468249	/nfs/dbraw/zinc/46/82/49/494468249.db2.gz	BACBIMOTJRNEKM-UHFFFAOYSA-N	-1	0	358.419	3.341	40	0		FGABRM
O=C([O-])c1ccc(NC(=S)NC(=O)c2cccc3ccccc32)cc1O	ZINC000020152222	494468493	/nfs/dbraw/zinc/46/84/93/494468493.db2.gz	BPQPBJSQPFOQEB-UHFFFAOYSA-N	-1	0	366.398	3.370	40	0		FGABRM
COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2OC)c1	ZINC000026529075	494830576	/nfs/dbraw/zinc/83/05/76/494830576.db2.gz	KUSWKGSGLKQIIV-UHFFFAOYSA-N	-1	0	369.826	3.244	40	0		FGABRM
CCN(CC)c1nc(-c2ccc(OC)c(OC)c2)c(CC(=O)[O-])s1	ZINC000095097188	494960359	/nfs/dbraw/zinc/96/03/59/494960359.db2.gz	BXZNIVUMBROULG-UHFFFAOYSA-N	-1	0	350.440	3.301	40	0		FGABRM
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(F)c(Cl)c2)cc1	ZINC000113886342	495332786	/nfs/dbraw/zinc/33/27/86/495332786.db2.gz	AXBPYUYNRGHQCC-UHFFFAOYSA-N	-1	0	357.790	3.067	40	0		FGABRM
CCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1ccccc1	ZINC000217474692	496998667	/nfs/dbraw/zinc/99/86/67/496998667.db2.gz	KWOUQTAWCXWOKC-ZDUSSCGKSA-N	-1	0	362.451	3.246	40	0		FGABRM
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(C(F)(F)F)cc2)cc1	ZINC000224692969	497051917	/nfs/dbraw/zinc/05/19/17/497051917.db2.gz	BKTRQZCHVMQSEN-UHFFFAOYSA-N	-1	0	373.352	3.294	40	0		FGABRM
O=C([O-])CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1cccs1	ZINC000225139297	497057217	/nfs/dbraw/zinc/05/72/17/497057217.db2.gz	NMTQFAMMCJFUNS-UHFFFAOYSA-N	-1	0	366.247	3.335	40	0		FGABRM
CCCCn1nc(-c2cccc(Br)c2)cc(C(=O)[O-])c1=O	ZINC000225963328	497079782	/nfs/dbraw/zinc/07/97/82/497079782.db2.gz	SOXNTCOHJKICFQ-UHFFFAOYSA-N	-1	0	351.200	3.171	40	0		FGABRM
COc1ccc(-c2c[n-]n3c2nc(Cc2ccccc2)cc3=O)cc1OC	ZINC000408599875	499592731	/nfs/dbraw/zinc/59/27/31/499592731.db2.gz	NKQSZAYTPPNJJZ-UHFFFAOYSA-N	-1	0	361.401	3.298	40	0		FGABRM
CCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(C)cc2C)ccc1OC	ZINC000408698989	499593796	/nfs/dbraw/zinc/59/37/96/499593796.db2.gz	UBIZCVRNTDXVHN-UHFFFAOYSA-N	-1	0	362.451	3.461	40	0		FGABRM
Cc1ccc(S(=O)(=O)[N-]c2nc3nc4ccccc4nc3s2)cc1	ZINC000006706799	571133136	/nfs/dbraw/zinc/13/31/36/571133136.db2.gz	HSGBQEARTHFHPA-UHFFFAOYSA-N	-1	0	356.432	3.349	40	0		FGABRM
CCC[C@H](C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCC(C)C	ZINC000217521235	222672011	/nfs/dbraw/zinc/67/20/11/222672011.db2.gz	PVKQMCIJJQYIQK-ZDUSSCGKSA-N	-1	0	356.488	3.310	40	0		FGABRM
COc1ccc(Cc2nc3ccccc3n2C[C@H](C)C(=O)[O-])cc1OC	ZINC000004243839	219557258	/nfs/dbraw/zinc/55/72/58/219557258.db2.gz	HFUWLJHUWPHITE-ZDUSSCGKSA-N	-1	0	354.406	3.365	40	0		FGABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H]([C@@H]3C[C@@H]32)[C@@H]1C(=O)NCC12CC3CC(CC(C3)C1)C2	ZINC000013577067	220076234	/nfs/dbraw/zinc/07/62/34/220076234.db2.gz	NXTNRLNDDVTLMM-VIWSRAJTSA-N	-1	0	355.478	3.088	40	0		FGABRM
CCCCC[C@H](O)/C=C\[C@H]1[C@H](O)C[C@H](O)[C@H]1CCCCCCC(=O)[O-]	ZINC000013718945	220089152	/nfs/dbraw/zinc/08/91/52/220089152.db2.gz	DZUXGQBLFALXCR-VJSUOKSTSA-N	-1	0	356.503	3.267	40	0		FGABRM
O=C([O-])c1cc(Cl)ccc1NC(=S)NC(=O)c1cccc(F)c1	ZINC000016399108	220184192	/nfs/dbraw/zinc/18/41/92/220184192.db2.gz	NHXMVDDWYGSWFF-UHFFFAOYSA-N	-1	0	352.774	3.304	40	0		FGABRM
Cc1ccc(C(=O)[O-])cc1N1C(=O)C[C@H](Nc2cccc(Cl)c2)C1=O	ZINC000016901152	220195603	/nfs/dbraw/zinc/19/56/03/220195603.db2.gz	ZEKHRUCMTSSLQH-AWEZNQCLSA-N	-1	0	358.781	3.091	40	0		FGABRM
Cc1ccc(N[C@H]2CC(=O)N(c3cc(C(=O)[O-])ccc3C)C2=O)c(C)c1	ZINC000016901130	220195963	/nfs/dbraw/zinc/19/59/63/220195963.db2.gz	IMXYAYGLKXXCGD-INIZCTEOSA-N	-1	0	352.390	3.054	40	0		FGABRM
COc1cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc(OC)c1OC	ZINC000020143244	220316633	/nfs/dbraw/zinc/31/66/33/220316633.db2.gz	UXDJRCSNSAFEME-UHFFFAOYSA-N	-1	0	365.769	3.316	40	0		FGABRM
CCOc1cccc2c(C)nc([N-]c3nc(C)c(C(=O)OC)c(C)n3)nc12	ZINC000020634131	220337570	/nfs/dbraw/zinc/33/75/70/220337570.db2.gz	UHFIVSAPNZDDGC-UHFFFAOYSA-N	-1	0	367.409	3.274	40	0		FGABRM
CCOCCCN1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@H]1c1ccccc1	ZINC000049466826	221022984	/nfs/dbraw/zinc/02/29/84/221022984.db2.gz	WLGFTAWOOONNQM-RTBURBONSA-N	-1	0	353.418	3.479	40	0		FGABRM
Cc1ccc(C(=O)[O-])cc1N1C(=O)C[C@@H](Nc2ccc(Cl)cc2)C1=O	ZINC000101275038	222266140	/nfs/dbraw/zinc/26/61/40/222266140.db2.gz	ABRVYFRTHXVKRO-CQSZACIVSA-N	-1	0	358.781	3.091	40	0		FGABRM
COc1cc(CCc2cc(=O)n3[n-]cc(-c4ccc(F)cc4)c3n2)on1	ZINC000100732952	222251109	/nfs/dbraw/zinc/25/11/09/222251109.db2.gz	MQLUUIYNRXAINY-UHFFFAOYSA-N	-1	0	354.341	3.023	40	0		FGABRM
COc1ccccc1-c1[n-]n2c(nc(-c3n[nH]c4c3CCC4)cc2=O)c1C	ZINC000100776366	222253325	/nfs/dbraw/zinc/25/33/25/222253325.db2.gz	DEGBDZUZGHWPNB-UHFFFAOYSA-N	-1	0	361.405	3.298	40	0		FGABRM
CCc1nnc(C2=C([O-])C(=Cc3ccc(OC(C)=O)cc3)SC2=N)s1	ZINC000006160418	493953017	/nfs/dbraw/zinc/95/30/17/493953017.db2.gz	YBEARCMXGXEEFY-HFENLWAASA-N	-1	0	373.459	3.444	40	0		FGABRM
CCc1nnc(C2=C([O-])C(=Cc3ccc4c(c3)OCO4)SC2=N)s1	ZINC000006564838	493968079	/nfs/dbraw/zinc/96/80/79/493968079.db2.gz	ZASCSUMOXHRAGR-ZQUMPDTDSA-N	-1	0	359.432	3.247	40	0		FGABRM
CCOc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1OCC(=O)[O-]	ZINC000006961006	493990299	/nfs/dbraw/zinc/99/02/99/493990299.db2.gz	IPVTUANHEXXTOW-SFHVURJKSA-N	-1	0	358.419	3.246	40	0		FGABRM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)NC(C)C	ZINC000032602195	493999076	/nfs/dbraw/zinc/99/90/76/493999076.db2.gz	ACRRYFKDAPKVQA-UHFFFAOYSA-N	-1	0	350.415	3.073	40	0		FGABRM
CCCOc1ccccc1/C=C/C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000062715096	494021577	/nfs/dbraw/zinc/02/15/77/494021577.db2.gz	WWWSENWUXPWKBH-QFQMRYFISA-N	-1	0	353.418	3.301	40	0		FGABRM
Cc1nnc(S/C(=C\c2cc(Br)c(N(C)C)o2)C(=O)[O-])o1	ZINC000007603740	494029394	/nfs/dbraw/zinc/02/93/94/494029394.db2.gz	PANQVSUVBROODJ-UITAMQMPSA-N	-1	0	374.216	3.017	40	0		FGABRM
CC[C@H](C)Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(C2CCCC2)C1=O	ZINC000008477389	494092153	/nfs/dbraw/zinc/09/21/53/494092153.db2.gz	XKIVNBIQNQLAHR-HKJJFUAXSA-N	-1	0	356.422	3.268	40	0		FGABRM
O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(C(F)(F)F)cc1	ZINC000008477403	494092386	/nfs/dbraw/zinc/09/23/86/494092386.db2.gz	POZPPCZKNIAVNT-UKTHLTGXSA-N	-1	0	352.312	3.110	40	0		FGABRM
CCCCC[C@H](O)/C=C/[C@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@H](O)C[C@@H]1O	ZINC000008552291	494096569	/nfs/dbraw/zinc/09/65/69/494096569.db2.gz	PXGPLTODNUVGFL-XNTKLVSTSA-N	-1	0	354.487	3.043	40	0	in-vitro	FGABRM
CCCCC[C@@H](O)/C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000038146903	494111177	/nfs/dbraw/zinc/11/11/77/494111177.db2.gz	XEYBRNLFEZDVAW-JBJZNRECSA-N	-1	0	352.471	3.251	40	0		FGABRM
CC(C)C(=O)N1CCC[C@@](Cc2cc(-c3ccccc3)no2)(C(=O)[O-])C1	ZINC000072395047	494163965	/nfs/dbraw/zinc/16/39/65/494163965.db2.gz	PUHGXWDUJNCTSE-FQEVSTJZSA-N	-1	0	356.422	3.234	40	0		FGABRM
O=C([O-])[C@@H](Cc1c[nH]c2ccc(F)cc12)NC(=O)OCc1ccccc1	ZINC000044909801	494388574	/nfs/dbraw/zinc/38/85/74/494388574.db2.gz	KRCKGUZDYXRPIQ-QGZVFWFLSA-N	-1	0	356.353	3.229	40	0		FGABRM
O=c1nc(SCc2nc(-c3ccc(F)cc3)no2)[n-]c2ccsc21	ZINC000016842924	494402952	/nfs/dbraw/zinc/40/29/52/494402952.db2.gz	GKKCLYJNCYMFOC-UHFFFAOYSA-N	-1	0	360.395	3.466	40	0		FGABRM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)NC(C)(C)C	ZINC000047339294	494685344	/nfs/dbraw/zinc/68/53/44/494685344.db2.gz	WKHICFYRRBHUQQ-UHFFFAOYSA-N	-1	0	364.442	3.463	40	0		FGABRM
O=C(C=C([O-])c1ccccc1I)c1ccccc1O	ZINC000113704393	495325746	/nfs/dbraw/zinc/32/57/46/495325746.db2.gz	TUCCLPUVJPSTEZ-UHFFFAOYSA-N	-1	0	366.154	3.453	40	0		FGABRM
CCOC(=O)c1ccc(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)[O-])cc1	ZINC000169619780	496715687	/nfs/dbraw/zinc/71/56/87/496715687.db2.gz	RASSOCXEEAYAHT-FZCLSBEQSA-N	-1	0	371.433	3.495	40	0		FGABRM
COc1c(F)cccc1[N-]S(=O)(=O)c1ccccc1Br	ZINC000199753029	496972702	/nfs/dbraw/zinc/97/27/02/496972702.db2.gz	ODKIJAJRAQONIS-UHFFFAOYSA-N	-1	0	360.204	3.398	40	0		FGABRM
CCCNc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C(=O)[O-]	ZINC000217607203	496999380	/nfs/dbraw/zinc/99/93/80/496999380.db2.gz	VWUBZMGPLRQTEC-ZDUSSCGKSA-N	-1	0	362.451	3.246	40	0		FGABRM
O=C([O-])C[C@H](NC(=S)Nc1ncccn1)c1ccc(Cl)cc1Cl	ZINC000225217353	497058732	/nfs/dbraw/zinc/05/87/32/497058732.db2.gz	HYISEPNWTODVGN-NSHDSACASA-N	-1	0	371.249	3.286	40	0		FGABRM
CC(C)(C)C(=O)c1cc(C(=O)[O-])c(=O)n(-c2ccc(Cl)cc2Cl)n1	ZINC000225968293	497079702	/nfs/dbraw/zinc/07/97/02/497079702.db2.gz	NQMZPVQYDSRYKX-UHFFFAOYSA-N	-1	0	369.204	3.466	40	0		FGABRM
O=C([O-])CN(Cc1ccco1)C(=O)c1ccc2sc(Cl)nc2c1	ZINC000225982694	497080620	/nfs/dbraw/zinc/08/06/20/497080620.db2.gz	ZLDCMJCDCQITNY-UHFFFAOYSA-N	-1	0	350.783	3.270	40	0		FGABRM
Cc1ccc([C@@H]2[C@@H](C(=O)[O-])[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000242614814	497355564	/nfs/dbraw/zinc/35/55/64/497355564.db2.gz	PICRZOMRQJDPHX-OAGGEKHMSA-N	-1	0	350.823	3.289	40	0		FGABRM
CCN(Cc1ccccc1)c1nn(-c2ccc(OC)cc2)nc1C(=O)[O-]	ZINC000256047162	497382714	/nfs/dbraw/zinc/38/27/14/497382714.db2.gz	KUTXUNGNQJMGQO-UHFFFAOYSA-N	-1	0	352.394	3.001	40	0		FGABRM
Cc1csc(C(=O)N2CCC(c3cc(=O)n4[n-]c(C)cc4n3)CC2)c1	ZINC000257255469	534779684	/nfs/dbraw/zinc/77/96/84/534779684.db2.gz	KHPJDRAJTZOASM-UHFFFAOYSA-N	-1	0	356.451	3.133	40	0		FGABRM
CC(C)(C)C(=O)N1CC[C@@H](Cc2ccc(-c3cncc(C(=O)[O-])c3)nc2)C1	ZINC000257344024	527578117	/nfs/dbraw/zinc/57/81/17/527578117.db2.gz	ZVLYFWXEMNOBMC-HNNXBMFYSA-N	-1	0	367.449	3.279	40	0		FGABRM
Cc1ccc(NC(=O)COc2ccc(Br)cc2C(=O)[O-])cc1	ZINC000217717804	571202416	/nfs/dbraw/zinc/20/24/16/571202416.db2.gz	WAHHWEFVXMHRIM-UHFFFAOYSA-N	-1	0	364.195	3.473	40	0		FGABRM
C[C@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccc2c(c1)CCCC2	ZINC000222932248	222757538	/nfs/dbraw/zinc/75/75/38/222757538.db2.gz	XJJFWOASBHJWOD-AWEZNQCLSA-N	-1	0	372.490	3.428	40	0		FGABRM
CCn1c(C)nc2cc(C(=O)N(CC(=O)[O-])Cc3ccccc3)ccc21	ZINC000257205164	223018150	/nfs/dbraw/zinc/01/81/50/223018150.db2.gz	AXXMNXVFPACURG-UHFFFAOYSA-N	-1	0	351.406	3.092	40	0		FGABRM
C[C@]1(c2cc[nH]n2)CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CCO1	ZINC000257244136	223034776	/nfs/dbraw/zinc/03/47/76/223034776.db2.gz	IJZUXEKQCOLDKV-HXUWFJFHSA-N	-1	0	367.405	3.116	40	0		FGABRM
Cc1cc(=O)[nH]c(C2CN(Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2)n1	ZINC000257309345	223060362	/nfs/dbraw/zinc/06/03/62/223060362.db2.gz	UAPDEQZXEBLSAL-UHFFFAOYSA-N	-1	0	365.389	3.048	40	0		FGABRM
CCCCC[C@H](O)/C=C\[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000013539155	220072731	/nfs/dbraw/zinc/07/27/31/220072731.db2.gz	BHMBVRSPMRCCGG-MMZSRJADSA-N	-1	0	352.471	3.251	40	0		FGABRM
Cc1nc([N-]S(=O)(=O)c2ccc(Cl)cc2)nc2c1C(=O)C[C@H](C)C2	ZINC000020633926	220337877	/nfs/dbraw/zinc/33/78/77/220337877.db2.gz	QKVWQQWDYQNXQJ-SECBINFHSA-N	-1	0	365.842	3.004	40	0		FGABRM
CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)c1	ZINC000055652112	221072232	/nfs/dbraw/zinc/07/22/32/221072232.db2.gz	HHBGYSOWIQFECR-UHFFFAOYSA-N	-1	0	369.826	3.326	40	0		FGABRM
CCC(=O)N1CCC[C@@](Cc2cc(-c3ccccc3C)no2)(C(=O)[O-])C1	ZINC000072395055	221493585	/nfs/dbraw/zinc/49/35/85/221493585.db2.gz	KWTAMFTUOYNAGS-FQEVSTJZSA-N	-1	0	356.422	3.296	40	0		FGABRM
Cc1cc(OCC(=O)Nc2cnn(CCCC(=O)[O-])c2)cc(C)c1Cl	ZINC000004698457	493887584	/nfs/dbraw/zinc/88/75/84/493887584.db2.gz	VEFAKBJBRRLNTJ-UHFFFAOYSA-N	-1	0	365.817	3.036	40	0		FGABRM
O=C([O-])c1cc(NC(=O)CC[C@H]2CC(=O)O[C@@H]2c2ccccc2)ccc1O	ZINC000005002243	493906655	/nfs/dbraw/zinc/90/66/55/493906655.db2.gz	CBTOVMFQTUDKNI-ORAYPTAESA-N	-1	0	369.373	3.114	40	0		FGABRM
CCCCOC(=O)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc1	ZINC000005420037	493929789	/nfs/dbraw/zinc/92/97/89/493929789.db2.gz	HFDHETNYJMNHOF-OHFALNGGSA-N	-1	0	357.406	3.105	40	0		FGABRM
O=C([O-])c1ccccc1OCC(=O)Nc1cccc(Br)c1	ZINC000005679225	493939833	/nfs/dbraw/zinc/93/98/33/493939833.db2.gz	UQJLHCSGWDHBKV-UHFFFAOYSA-N	-1	0	350.168	3.165	40	0		FGABRM
CC/C=C/C[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C/CCCC(=O)[O-])C[C@H]12	ZINC000005761924	493941318	/nfs/dbraw/zinc/94/13/18/493941318.db2.gz	NCYSTSFUYSFMEO-RZGCEDDZSA-N	-1	0	350.455	3.185	40	0		FGABRM
CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C/CCCC(=O)[O-])[C@@H](O)C[C@@H]1O	ZINC000005973277	493947362	/nfs/dbraw/zinc/94/73/62/493947362.db2.gz	PXGPLTODNUVGFL-IVHNRCPMSA-N	-1	0	354.487	3.043	40	0	in-vitro	FGABRM
Cc1nnc(S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)[O-])o1	ZINC000007365711	494018815	/nfs/dbraw/zinc/01/88/15/494018815.db2.gz	UOBMOGXFGFRWAL-ZROIWOOFSA-N	-1	0	372.362	3.295	40	0		FGABRM
O=C([O-])c1c2c(nc3onc(-c4ccc5c(c4)OCCCO5)c31)CCC2	ZINC000062710739	494021368	/nfs/dbraw/zinc/02/13/68/494021368.db2.gz	AKJGOMJMZYIAFY-UHFFFAOYSA-N	-1	0	352.346	3.238	40	0		FGABRM
CCc1nnc([N-]c2cc([C@@H]3CCCN3c3ncccn3)nc(C)n2)s1	ZINC000072360341	494158200	/nfs/dbraw/zinc/15/82/00/494158200.db2.gz	YXYFWFVLIXHDCG-ZDUSSCGKSA-N	-1	0	368.470	3.074	40	0		FGABRM
O=C(NCC1CCC(c2ccnc([N-]c3ncccn3)n2)CC1)C1CCC1	ZINC000072377866	494160016	/nfs/dbraw/zinc/16/00/16/494160016.db2.gz	OMKMOWYJRWQOMS-UHFFFAOYSA-N	-1	0	366.469	3.200	40	0		FGABRM
O=C([O-])c1cn([C@H]2C[C@H]2F)c2c(Br)c(F)c(F)cc2c1=O	ZINC000077863230	494194141	/nfs/dbraw/zinc/19/41/41/494194141.db2.gz	COYAYDQYXRRAPK-SVRRBLITSA-N	-1	0	362.101	3.023	40	0		FGABRM
CCc1c(C)nc2cc([C@@H]3CCCCN3C(=O)c3cscn3)[n-]n2c1=O	ZINC000012161771	494210237	/nfs/dbraw/zinc/21/02/37/494210237.db2.gz	SVZIBDKYLBTQOZ-HNNXBMFYSA-N	-1	0	371.466	3.130	40	0		FGABRM
CN([C@H](c1ccccc1Cl)C(F)(F)C(=O)[O-])[S@@](=O)C(C)(C)C	ZINC000044139223	494340315	/nfs/dbraw/zinc/34/03/15/494340315.db2.gz	FZXKRZHMESAPNL-RKFFSXRUSA-N	-1	0	353.818	3.495	40	0		FGABRM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)(C)C)cc1	ZINC000047339214	494685323	/nfs/dbraw/zinc/68/53/23/494685323.db2.gz	VCTFDDWRNRFNLU-UHFFFAOYSA-N	-1	0	362.451	3.024	40	0		FGABRM
CCCCC[C@@H](O)/C=C/[C@H]1[C@@H](O)C[C@@H](O)[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000027641112	494878832	/nfs/dbraw/zinc/87/88/32/494878832.db2.gz	PXGPLTODNUVGFL-KLCPXQDDSA-N	-1	0	354.487	3.043	40	0	in-vitro	FGABRM
CCCCC[C@@H](O)C=C[C@H]1C(O)=CC(=O)[C@H]1CC=CCCCC(=O)[O-]	ZINC000027642702	494878922	/nfs/dbraw/zinc/87/89/22/494878922.db2.gz	LGMXPVXJSFPPTQ-JMAQUCEESA-N	-1	0	350.455	3.459	40	0	in-vitro	FGABRM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(N(C)C(C)=O)cc1	ZINC000223271735	497033965	/nfs/dbraw/zinc/03/39/65/497033965.db2.gz	UPCNRTQTXIQYSV-UHFFFAOYSA-N	-1	0	368.842	3.132	40	0		FGABRM
CCc1ccc([N-]S(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)cc1	ZINC000223343191	497036726	/nfs/dbraw/zinc/03/67/26/497036726.db2.gz	MXZYGPYEBVZHOV-UHFFFAOYSA-N	-1	0	366.826	3.148	40	0		FGABRM
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2OC(C)C)c1	ZINC000223840043	497043330	/nfs/dbraw/zinc/04/33/30/497043330.db2.gz	PMOMMBSFZNGNJW-UHFFFAOYSA-N	-1	0	363.435	3.370	40	0		FGABRM
Cc1ccc(S(=O)(=O)[C@@H]2[C@H](C(=O)[O-])[C@H]2c2ccc(Cl)cc2)cc1	ZINC000242543532	497354282	/nfs/dbraw/zinc/35/42/82/497354282.db2.gz	KEBPDVFKWWZVNR-OAGGEKHMSA-N	-1	0	350.823	3.289	40	0		FGABRM
O=C([O-])c1nn(-c2ccccc2C(F)(F)F)nc1N1CCCCCC1	ZINC000256045687	497381395	/nfs/dbraw/zinc/38/13/95/497381395.db2.gz	AMQBBOLDFRYWFK-UHFFFAOYSA-N	-1	0	354.332	3.365	40	0		FGABRM
O=C([O-])c1nn(-c2ccc(F)cc2)nc1N1CC[C@H](c2ccccc2)C1	ZINC000256045801	497382030	/nfs/dbraw/zinc/38/20/30/497382030.db2.gz	BASQYPFFACMCFE-AWEZNQCLSA-N	-1	0	352.369	3.099	40	0		FGABRM
Cc1ccc([C@@H](CCC(=O)[O-])N2CCN(C(=O)c3cccs3)CC2)cc1	ZINC000408610646	499593027	/nfs/dbraw/zinc/59/30/27/499593027.db2.gz	QXSPDRBEJGWZJI-QGZVFWFLSA-N	-1	0	372.490	3.420	40	0		FGABRM
Cc1nc(-c2cncc(C(=O)[O-])c2)cc([C@H]2CCCN2C(=O)C(C)(C)C)n1	ZINC000257275548	534866848	/nfs/dbraw/zinc/86/68/48/534866848.db2.gz	NPVWJFJHBRUCQP-QGZVFWFLSA-N	-1	0	368.437	3.255	40	0		FGABRM
CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(C(=O)[O-])c4)OCC[C@@]31C2	ZINC000257253155	526894191	/nfs/dbraw/zinc/89/41/91/526894191.db2.gz	JXTYDKVOYDYXQR-VVBRCAISSA-N	-1	0	357.450	3.403	40	0		FGABRM
CC(C)n1cnc2cc(C(=O)N(CC(=O)[O-])Cc3ccccc3)ccc21	ZINC000257296528	528619686	/nfs/dbraw/zinc/61/96/86/528619686.db2.gz	RDFABLCMLIHOLF-UHFFFAOYSA-N	-1	0	351.406	3.344	40	0		FGABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1	ZINC000004019427	219534502	/nfs/dbraw/zinc/53/45/02/219534502.db2.gz	ZGFLPXBNBVLCET-XDNAFOTISA-N	-1	0	351.358	3.072	40	0		FGABRM
O=c1c2c(nc3cc(C4CC4)[n-]n31)CCN(Cc1cc(F)cc(F)c1)C2	ZINC000012667110	220016517	/nfs/dbraw/zinc/01/65/17/220016517.db2.gz	BUNFTSMIPMOJFU-UHFFFAOYSA-N	-1	0	356.376	3.149	40	0		FGABRM
CCCCC[C@H](O)/C=C\[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000018130819	220225192	/nfs/dbraw/zinc/22/51/92/220225192.db2.gz	BHMBVRSPMRCCGG-FSNGKQNDSA-N	-1	0	352.471	3.251	40	0		FGABRM
O=C([O-])c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1O	ZINC000020081019	220313196	/nfs/dbraw/zinc/31/31/96/220313196.db2.gz	CGSQTTFWFRHRNH-UHFFFAOYSA-N	-1	0	350.168	3.034	40	0		FGABRM
Cc1cc(C)cc(N(CC(=O)[O-])S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000020061317	220310960	/nfs/dbraw/zinc/31/09/60/220310960.db2.gz	DFSOUJNISRSTMU-UHFFFAOYSA-N	-1	0	353.827	3.237	40	0		FGABRM
CC/C=C\C[C@H](O)/C=C/[C@@H]1[C@@H](CCCCCCC(=O)[O-])C(=O)C[C@@H]1O	ZINC000027639623	220542581	/nfs/dbraw/zinc/54/25/81/220542581.db2.gz	OFPLGKUICBQJOS-WRCKAEHUSA-N	-1	0	352.471	3.251	40	0	in-vitro	FGABRM
O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N1CCCCC1	ZINC000217638992	132272457	/nfs/dbraw/zinc/27/24/57/132272457.db2.gz	FWKHHBTYHNETEJ-UHFFFAOYSA-N	-1	0	360.435	3.176	40	0		FGABRM
COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)[O-])c(O)c2C)c(O)c1C	ZINC000001655202	493796943	/nfs/dbraw/zinc/79/69/43/493796943.db2.gz	NMKBRSYSHBPUPY-UHFFFAOYSA-N	-1	0	360.362	3.257	40	0	biogenic,in-vitro	FGABRM
O=C([O-])c1cc(Br)ccc1OCC(=O)Nc1ccccc1	ZINC000001749805	493798296	/nfs/dbraw/zinc/79/82/96/493798296.db2.gz	KDDXGTBQGWMQSD-UHFFFAOYSA-N	-1	0	350.168	3.165	40	0		FGABRM
Cc1cc([N-]S(=O)(=O)c2csc(C(=O)Nc3ccccc3)c2)no1	ZINC000006681681	493975315	/nfs/dbraw/zinc/97/53/15/493975315.db2.gz	BLNVJBFGSWRTCW-UHFFFAOYSA-N	-1	0	363.420	3.098	40	0		FGABRM
O=C([O-])c1csc(-n2nc(-c3ccc(O)cc3O)cc2C(F)(F)F)n1	ZINC000033413659	494060373	/nfs/dbraw/zinc/06/03/73/494060373.db2.gz	VDKNGZCZCXCOMK-UHFFFAOYSA-N	-1	0	371.296	3.124	40	0		FGABRM
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)[O-]	ZINC000016406883	494388137	/nfs/dbraw/zinc/38/81/37/494388137.db2.gz	RSHHRMNTSGVXEW-RIYZIHGNSA-N	-1	0	354.318	3.131	40	0		FGABRM
O=C([O-])CCC[C@H](O)/C=C/C=C/C=C\[C@H](O)C/C=C/CCCCCO	ZINC000219713893	497011025	/nfs/dbraw/zinc/01/10/25/497011025.db2.gz	PTJFJXLGRSTECQ-NAOXSYCNSA-N	-1	0	352.471	3.131	40	0	in-vitro	FGABRM
CCc1ccccc1[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl	ZINC000223324717	497035762	/nfs/dbraw/zinc/03/57/62/497035762.db2.gz	VSOARYGNGMRZFV-UHFFFAOYSA-N	-1	0	352.799	3.138	40	0		FGABRM
COc1cc2c(cc1S(=O)(=O)[N-]c1ccc(NC(C)=O)cc1)CCCC2	ZINC000224075394	497046463	/nfs/dbraw/zinc/04/64/63/497046463.db2.gz	NFLSVUUDEFQJGF-UHFFFAOYSA-N	-1	0	374.462	3.333	40	0		FGABRM
CSc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cccc(Cl)c2)cc1	ZINC000224974656	497054036	/nfs/dbraw/zinc/05/40/36/497054036.db2.gz	ILKJDLNOPNFJEQ-UHFFFAOYSA-N	-1	0	371.867	3.342	40	0		FGABRM
COc1ccc(S(=O)(=O)[N-]c2nnc(SCC(C)C)s2)cc1C	ZINC000225070634	497056506	/nfs/dbraw/zinc/05/65/06/497056506.db2.gz	MJYTZDRFTGPNQK-UHFFFAOYSA-N	-1	0	373.525	3.404	40	0		FGABRM
CCOc1cc(I)cc(C(=O)[O-])c1OCC(C)C	ZINC000225282464	497059586	/nfs/dbraw/zinc/05/95/86/497059586.db2.gz	KNQIAWDDSMEGFG-UHFFFAOYSA-N	-1	0	364.179	3.423	40	0		FGABRM
Cc1ccsc1CN1CCc2c(nc(N3CCCC[C@H]3C)[nH]c2=O)C1	ZINC000257328001	497404380	/nfs/dbraw/zinc/40/43/80/497404380.db2.gz	XDSZXTUNTSQBRD-CQSZACIVSA-N	-1	0	358.511	3.489	40	0		FGABRM
O=C([O-])c1ccc(NC2CCCC2)c(S(=O)(=O)NCc2ccccc2)c1	ZINC000217471863	526378662	/nfs/dbraw/zinc/37/86/62/526378662.db2.gz	CXDORMJDMGROHG-UHFFFAOYSA-N	-1	0	374.462	3.218	40	0		FGABRM
CC(C)(C)C(=O)N1CC[C@H](Cc2cccc(-c3cncc(C(=O)[O-])c3)n2)C1	ZINC000257217651	527578529	/nfs/dbraw/zinc/57/85/29/527578529.db2.gz	CZYAJQARKBJRKO-CQSZACIVSA-N	-1	0	367.449	3.279	40	0		FGABRM
Cn1c2ccccc2nc1C[C@H]1CN(C(=O)C(C)(C)C)CC[C@H]1CC(=O)[O-]	ZINC000514290292	560029653	/nfs/dbraw/zinc/02/96/53/560029653.db2.gz	WKYSKFBUGFJBPB-GJZGRUSLSA-N	-1	0	371.481	3.101	40	0	biogenic,in-vitro	FGABRM
Cn1ncc(C2CC2)c1/C=C/c1nc(C(=O)[O-])c(Br)s1	ZINC000656613932	571111187	/nfs/dbraw/zinc/11/11/87/571111187.db2.gz	SWAJJVUNWFKTIC-SNAWJCMRSA-N	-1	0	354.229	3.385	40	0		FGABRM
Cc1cccc(C(=O)[O-])c1OCC(=O)Nc1ccc(Br)cc1	ZINC000217721452	571202347	/nfs/dbraw/zinc/20/23/47/571202347.db2.gz	ZJTOLCNSOFGVGA-UHFFFAOYSA-N	-1	0	364.195	3.473	40	0		FGABRM
CCc1nc(SC(=Cc2cc(Cl)c(OC)c(OC)c2)C(=O)[O-])n[nH]1	ZINC000213405764	571307706	/nfs/dbraw/zinc/30/77/06/571307706.db2.gz	HAMLKLWNZOTVDO-XFFZJAGNSA-N	-1	0	369.830	3.256	40	0		FGABRM
CC(C)CNc1ccc(S(=O)(=O)NC2CCCCC2)cc1C(=O)[O-]	ZINC000217578477	222672572	/nfs/dbraw/zinc/67/25/72/222672572.db2.gz	SPCMNZOEPSISEG-UHFFFAOYSA-N	-1	0	354.472	3.064	40	0		FGABRM
COc1ccc(Cl)cc1NC(=O)CSc1ncccc1C(=O)[O-]	ZINC000000931228	219341955	/nfs/dbraw/zinc/34/19/55/219341955.db2.gz	QWJONHQDNFPXLM-UHFFFAOYSA-N	-1	0	352.799	3.173	40	0		FGABRM
CCCCC[C@@](C)(O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000003830382	219526697	/nfs/dbraw/zinc/52/66/97/219526697.db2.gz	DLJKPYFALUEJCK-AHJQGUAMSA-N	-1	0	368.514	3.433	40	0		FGABRM
O=C([O-])c1ccccc1-c1ccc(CN2CCO[C@@H](c3ccncn3)C2)o1	ZINC000257322510	223065894	/nfs/dbraw/zinc/06/58/94/223065894.db2.gz	WGGKKBNDDIJTNA-LJQANCHMSA-N	-1	0	365.389	3.008	40	0		FGABRM
CC1=CC[C@]2(C)[C@H](O)C[C@](O)(C(C)C)[C@@H]2[C@H](OC(=O)c2ccc(O)cc2)C1	ZINC000013432383	220066705	/nfs/dbraw/zinc/06/67/05/220066705.db2.gz	QHFATPQTYSUZTN-GIGYVVOSSA-N	-1	0	374.477	3.432	40	0	biogenic,in-vitro	FGABRM
O=C([O-])c1ccc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1	ZINC000015009330	220141475	/nfs/dbraw/zinc/14/14/75/220141475.db2.gz	GUHMSUDHEQTRRH-MHWRWJLKSA-N	-1	0	367.382	3.304	40	0		FGABRM
CC(C)NC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CCN(C)c2ccccc2)C1	ZINC000020463524	220328249	/nfs/dbraw/zinc/32/82/49/220328249.db2.gz	LQBFUAMSAOCISF-IRXDYDNUSA-N	-1	0	361.486	3.044	40	0	biogenic,in-vitro	FGABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1ccc(F)cc1	ZINC000020492639	220329395	/nfs/dbraw/zinc/32/93/95/220329395.db2.gz	CEFKMQJEKCLUIZ-UHFFFAOYSA-N	-1	0	371.393	3.274	40	0		FGABRM
O=C([O-])COc1c(Br)cc(Br)c2cccnc21	ZINC000022149603	220378881	/nfs/dbraw/zinc/37/88/81/220378881.db2.gz	SJKFFGFLLUHZIW-UHFFFAOYSA-N	-1	0	360.989	3.223	40	0		FGABRM
Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCC2)ccc1F	ZINC000025097607	220475197	/nfs/dbraw/zinc/47/51/97/220475197.db2.gz	ALPVTFHHAIYKHI-UHFFFAOYSA-N	-1	0	362.426	3.171	40	0		FGABRM
CCC(=O)[N-]S(=O)(=O)c1ccc(C2=C(C)OCN2c2ccccc2)cc1	ZINC000098181729	222230537	/nfs/dbraw/zinc/23/05/37/222230537.db2.gz	WDKDSDPCYXLSFI-UHFFFAOYSA-N	-1	0	372.446	3.084	40	0		FGABRM
COc1ccc(C)cc1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl	ZINC000020456728	263380911	/nfs/dbraw/zinc/38/09/11/263380911.db2.gz	MFUXGDBPLPKHCV-UHFFFAOYSA-N	-1	0	368.842	3.281	40	0		FGABRM
Cc1nc(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nc2ccccc12	ZINC000002264080	493804353	/nfs/dbraw/zinc/80/43/53/493804353.db2.gz	SVSBBFUITVGLGL-UHFFFAOYSA-N	-1	0	353.403	3.367	40	0		FGABRM
CCOc1cc(/C=C2/NC(=O)[N-]C2=O)ccc1OCc1ccccc1Cl	ZINC000059316139	493904535	/nfs/dbraw/zinc/90/45/35/493904535.db2.gz	GXMMHEOPIXYTOH-OQLLNIDSSA-N	-1	0	372.808	3.498	40	0		FGABRM
COc1cc(=O)c2c([O-])c(OC)c(-c3ccc(OC)c(OC)c3)oc-2c1	ZINC000005733766	493941416	/nfs/dbraw/zinc/94/14/16/493941416.db2.gz	HHGPYJLEJGNWJA-UHFFFAOYSA-N	-1	0	358.346	3.200	40	0	biogenic,in-vitro	FGABRM
CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c(C)s1	ZINC000006680071	493973621	/nfs/dbraw/zinc/97/36/21/493973621.db2.gz	AKZNYIPPWOILNS-UHFFFAOYSA-N	-1	0	358.872	3.260	40	0		FGABRM
CCCCC[C@H](O)/C=C/[C@H]1[C@@H](CCCCCCC(=O)[O-])C(=O)C[C@@H]1O	ZINC000006852897	493983568	/nfs/dbraw/zinc/98/35/68/493983568.db2.gz	GMVPRGQOIOIIMI-HXJYNXCLSA-N	-1	0	354.487	3.475	40	0		FGABRM
O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccccc2Br)c1	ZINC000007230434	494008519	/nfs/dbraw/zinc/00/85/19/494008519.db2.gz	XIMPLLHTJUYRBQ-UHFFFAOYSA-N	-1	0	374.187	3.087	40	0		FGABRM
CCc1nc(SC(=Cc2ccc(O)c(Br)c2)C(=O)[O-])n[nH]1	ZINC000007342466	494016487	/nfs/dbraw/zinc/01/64/87/494016487.db2.gz	KYUWQLHNAVSCLF-POHAHGRESA-N	-1	0	370.228	3.053	40	0		FGABRM
CCc1nc(SC(=Cc2cc(C)n(-c3cccnc3)c2C)C(=O)[O-])n[nH]1	ZINC000007342507	494016806	/nfs/dbraw/zinc/01/68/06/494016806.db2.gz	QBNUEPQQTBWCEO-DHDCSXOGSA-N	-1	0	369.450	3.387	40	0		FGABRM
CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@H](O)C[C@@H]1O	ZINC000008552292	494096616	/nfs/dbraw/zinc/09/66/16/494096616.db2.gz	PXGPLTODNUVGFL-LFQRMHLBSA-N	-1	0	354.487	3.043	40	0	in-vitro	FGABRM
Cc1ccccc1-c1cc(C[C@@]2(C(=O)[O-])CCCN(C(=O)C3CC3)C2)on1	ZINC000012366467	494227962	/nfs/dbraw/zinc/22/79/62/494227962.db2.gz	BWGBKDCFCWMDEJ-NRFANRHFSA-N	-1	0	368.433	3.296	40	0		FGABRM
CCOc1cc(/C=C/C(=O)Nc2ccc(CC(=O)[O-])cc2)ccc1OC	ZINC000013439048	494287575	/nfs/dbraw/zinc/28/75/75/494287575.db2.gz	IIUJGYXSNUKHRQ-YRNVUSSQSA-N	-1	0	355.390	3.373	40	0		FGABRM
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1	ZINC000045520789	494435754	/nfs/dbraw/zinc/43/57/54/494435754.db2.gz	OLMXAFWZUWDDOU-UHFFFAOYSA-N	-1	0	361.444	3.044	40	0		FGABRM
CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(CC(=O)[O-])cc2)c1	ZINC000020152740	494468937	/nfs/dbraw/zinc/46/89/37/494468937.db2.gz	JHTJCHDLLVIQJR-UHFFFAOYSA-N	-1	0	372.446	3.228	40	0		FGABRM
O=C([O-])CCC(=O)Nc1nnc(SCc2ccccc2Cl)s1	ZINC000026438975	494824695	/nfs/dbraw/zinc/82/46/95/494824695.db2.gz	SJTUDUFONPEQOD-UHFFFAOYSA-N	-1	0	357.844	3.287	40	0		FGABRM
CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])C[C@@H]1c1ccc(Br)cc1	ZINC000117957586	494966548	/nfs/dbraw/zinc/96/65/48/494966548.db2.gz	GIGANHNRKIQTDM-ABAIWWIYSA-N	-1	0	356.216	3.285	40	0		FGABRM
O=C([O-])[C@@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1	ZINC000169676114	496716481	/nfs/dbraw/zinc/71/64/81/496716481.db2.gz	UDRJSCLXUBYWKD-ATZDWAIDSA-N	-1	0	351.402	3.231	40	0		FGABRM
CC(C)CCNc1ccc(S(=O)(=O)NCCC(C)C)cc1C(=O)[O-]	ZINC000217654931	496999117	/nfs/dbraw/zinc/99/91/17/496999117.db2.gz	VYPAIOOWPKVKDI-UHFFFAOYSA-N	-1	0	356.488	3.167	40	0		FGABRM
CC(C)Nc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C(=O)[O-]	ZINC000217607487	496999372	/nfs/dbraw/zinc/99/93/72/496999372.db2.gz	IYORXMSOPJIJNE-CYBMUJFWSA-N	-1	0	362.451	3.245	40	0		FGABRM
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(OC(C)C)cc2)cc1	ZINC000224698709	497052096	/nfs/dbraw/zinc/05/20/96/497052096.db2.gz	AUFFQZZOCRHPDR-UHFFFAOYSA-N	-1	0	363.435	3.062	40	0		FGABRM
CCc1ccc(CC)c(CNC(=O)c2ccccc2[N-]S(C)(=O)=O)c1	ZINC000225099284	497056242	/nfs/dbraw/zinc/05/62/42/497056242.db2.gz	GQFZWFVQKDFENY-UHFFFAOYSA-N	-1	0	360.479	3.113	40	0		FGABRM
COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(OC)c(F)c2)c1	ZINC000408693642	499593794	/nfs/dbraw/zinc/59/37/94/499593794.db2.gz	BJWPTGFIJRCCDN-UHFFFAOYSA-N	-1	0	373.789	3.075	40	0		FGABRM
O=C([O-])c1ccc(COc2ccccc2C=C2SC(=O)NC2=O)cc1	ZINC000408960299	499595477	/nfs/dbraw/zinc/59/54/77/499595477.db2.gz	KWMWWKHUEVHFAK-OQLLNIDSSA-N	-1	0	355.371	3.288	40	0		FGABRM
CCCCNS(=O)(=O)c1ccc(NCc2ccccc2)c(C(=O)[O-])c1	ZINC000217550289	520694418	/nfs/dbraw/zinc/69/44/18/520694418.db2.gz	RQRDLNZMPNPXOI-UHFFFAOYSA-N	-1	0	362.451	3.075	40	0		FGABRM
CCC[C@H](C)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)[O-]	ZINC000217628984	521063060	/nfs/dbraw/zinc/06/30/60/521063060.db2.gz	ITHWSIIPGMYNKD-LBPRGKRZSA-N	-1	0	366.439	3.057	40	0		FGABRM
CC/C=C\C[C@H](O)/C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000299888559	528802383	/nfs/dbraw/zinc/80/23/83/528802383.db2.gz	OFPLGKUICBQJOS-NRYJNMRFSA-N	-1	0	352.471	3.251	40	0		FGABRM