smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1sc([N-]C(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)c(C#N)c1C	ZINC000000997747	194000195	/nfs/dbraw/zinc/00/01/95/194000195.db2.gz	UAKPPIKKJKGHNV-UHFFFAOYSA-N	-1	3	465.314	5.446	50	30		JKEAHM
CCc1c(C)sc([N-]C(=O)c2cnn3c2nc(-c2cccs2)cc3C(F)(F)F)c1C#N	ZINC000001060472	194012490	/nfs/dbraw/zinc/01/24/90/194012490.db2.gz	BHWNAIIBWTYFPW-UHFFFAOYSA-N	-1	3	461.494	5.533	50	30		JKEAHM
N#Cc1c2c(sc1[N-]C(=S)NC(=O)c1cc(-c3ccccc3)nc3ccccc31)CCCCC2	ZINC000002111208	194156946	/nfs/dbraw/zinc/15/69/46/194156946.db2.gz	BCHVDQPQILZABM-UHFFFAOYSA-N	-1	3	482.634	6.231	50	30		JKEAHM
C[C@H](NC(=O)CSc1nc2ccc(/N=C/c3cc(Cl)ccc3[O-])cc2s1)c1ccccc1	ZINC000003094813	194225070	/nfs/dbraw/zinc/22/50/70/194225070.db2.gz	YEBNAHISHOMVCF-WEPAEKJRSA-N	-1	3	482.030	6.375	50	30		JKEAHM
O=C(CSc1nc2ccc(/N=C/c3c([O-])ccc4ccccc43)cc2s1)Nc1ccccc1	ZINC000003094786	194225084	/nfs/dbraw/zinc/22/50/84/194225084.db2.gz	YFCSLUZFICYFTP-JFLMPSFJSA-N	-1	3	469.591	6.637	50	30		JKEAHM
[O-]c1ccccc1/C=N/c1ccc2nc(SCc3ccc(Br)cc3)sc2c1	ZINC000003094778	194225149	/nfs/dbraw/zinc/22/51/49/194225149.db2.gz	ZCUQXOATHWTKMG-FSJBWODESA-N	-1	3	455.402	6.807	50	30		JKEAHM
[O-]c1ccc(Cl)cc1/C=N/c1ccc2nc(SCc3ccc(Br)cc3)sc2c1	ZINC000003094784	194225191	/nfs/dbraw/zinc/22/51/91/194225191.db2.gz	BBKFJLMALLTAOS-BHGWPJFGSA-N	-1	3	489.847	7.461	50	30		JKEAHM
[O-]c1ccc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccccc1F	ZINC000003184127	194235814	/nfs/dbraw/zinc/23/58/14/194235814.db2.gz	UEAIEDWQCOVGLQ-KBKYJPHKSA-N	-1	3	454.217	6.856	50	30		JKEAHM
COc1cc(Br)c(Br)c(/C=N/c2ccc(Cl)cc2Cl)c1[O-]	ZINC000003113621	194227162	/nfs/dbraw/zinc/22/71/62/194227162.db2.gz	WAUWJVCCNWAQLM-KPSZGOFPSA-N	-1	3	453.945	5.983	50	30		JKEAHM
C[C@@H](C#N)Sc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)n1-c1ccccc1	ZINC000003279161	194261127	/nfs/dbraw/zinc/26/11/27/194261127.db2.gz	WJTLFSYKRBEBQI-INIZCTEOSA-N	-1	3	496.017	5.393	50	30		JKEAHM
CCc1c(C)sc([N-]C(=O)c2cc3nc(-c4ccc(OC)cc4)cc(C(F)(F)F)n3n2)c1C#N	ZINC000003629440	194343855	/nfs/dbraw/zinc/34/38/55/194343855.db2.gz	AWKKYKLDMRJZKF-UHFFFAOYSA-N	-1	3	485.491	5.480	50	30		JKEAHM
COc1ccc(-c2cc(C(=O)[N-]c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)no2)cc1OC	ZINC000009597857	194797083	/nfs/dbraw/zinc/79/70/83/194797083.db2.gz	UMKINZOUMDMQSC-OAHLLOKOSA-N	-1	3	465.575	5.695	50	30		JKEAHM
CCCCCCCCCCC(=N\[O-])/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccccc1	ZINC000102303114	130118789	/nfs/dbraw/zinc/11/87/89/130118789.db2.gz	SQHANDYONZDTNH-BZHOXZENSA-N	-1	3	457.640	6.039	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)cc1	ZINC000102484610	130138441	/nfs/dbraw/zinc/13/84/41/130138441.db2.gz	HJFMTGKOGZUQIY-HOGKFDNTSA-N	-1	3	456.523	5.240	50	30		JKEAHM
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccccc3s2)cc1	ZINC000102484610	130138444	/nfs/dbraw/zinc/13/84/44/130138444.db2.gz	HJFMTGKOGZUQIY-HOGKFDNTSA-N	-1	3	456.523	5.240	50	30		JKEAHM
CCN(CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(OC)cc2C)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000102489356	130142935	/nfs/dbraw/zinc/14/29/35/130142935.db2.gz	FEVHXGNRKHNIOJ-MOBKVPTQSA-N	-1	3	491.415	5.074	50	30		JKEAHM
COC(=O)c1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102492921	130147727	/nfs/dbraw/zinc/14/77/27/130147727.db2.gz	DNQPIGDJTCWVBI-MOBKVPTQSA-N	-1	3	484.533	5.018	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3cccc(Cl)c3)sc2c1	ZINC000102500027	130153905	/nfs/dbraw/zinc/15/39/05/130153905.db2.gz	VVSAVHQWLQBMOL-JBCNATCCSA-N	-1	3	460.942	5.884	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102508052	130162564	/nfs/dbraw/zinc/16/25/64/130162564.db2.gz	MLZFKHUKHTYWGE-ZHHPLPSFSA-N	-1	3	476.598	5.908	50	30		JKEAHM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102508052	130162567	/nfs/dbraw/zinc/16/25/67/130162567.db2.gz	MLZFKHUKHTYWGE-ZHHPLPSFSA-N	-1	3	476.598	5.908	50	30		JKEAHM
Cc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102509940	130164416	/nfs/dbraw/zinc/16/44/16/130164416.db2.gz	KZKKAQWAZXOGCZ-MOBKVPTQSA-N	-1	3	474.969	6.193	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000102519541	130172451	/nfs/dbraw/zinc/17/24/51/130172451.db2.gz	VZWPQAYMPYAWMB-ZZIWUOEGSA-N	-1	3	484.577	5.856	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000102519541	130172453	/nfs/dbraw/zinc/17/24/53/130172453.db2.gz	VZWPQAYMPYAWMB-ZZIWUOEGSA-N	-1	3	484.577	5.856	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102523502	130175683	/nfs/dbraw/zinc/17/56/83/130175683.db2.gz	WZPQJSRYWNIJRM-HOGKFDNTSA-N	-1	3	458.539	5.947	50	30		JKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccc(Br)cc2)sc1C	ZINC000102526913	130179206	/nfs/dbraw/zinc/17/92/06/130179206.db2.gz	ULEGJXANYXISFY-LFVOPCPISA-N	-1	3	483.387	5.457	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl	ZINC000102534234	130188576	/nfs/dbraw/zinc/18/85/76/130188576.db2.gz	VWNVOKUQZOBYOV-ZHHPLPSFSA-N	-1	3	462.933	5.493	50	30		JKEAHM
O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	ZINC000102541833	130197744	/nfs/dbraw/zinc/19/77/44/130197744.db2.gz	QNDZYNSYEJQHJY-YDJIHCHBSA-N	-1	3	473.743	5.664	50	30		JKEAHM
CCOc1ccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000102554257	130204924	/nfs/dbraw/zinc/20/49/24/130204924.db2.gz	ROOOSQWMNHPJCA-GXJNPGMPSA-N	-1	3	455.510	5.276	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3)nc2c(C)c1	ZINC000102554831	130205453	/nfs/dbraw/zinc/20/54/53/130205453.db2.gz	UEVSZZODYLOIMM-ZZIWUOEGSA-N	-1	3	498.560	5.311	50	30		JKEAHM
CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102559765	130208609	/nfs/dbraw/zinc/20/86/09/130208609.db2.gz	IEYGYPNVEVLAOL-NXLSWJSLSA-N	-1	3	460.530	5.522	50	30		JKEAHM
COc1ccccc1[C@@H]1C(=C([O-])c2ccccc2)C(=O)C(=O)N1c1cccc(Br)c1	ZINC000102582152	130216797	/nfs/dbraw/zinc/21/67/97/130216797.db2.gz	ZZNYISAFXYSDFP-JBCNATCCSA-N	-1	3	464.315	5.084	50	30		JKEAHM
CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nccs2)c1	ZINC000102615754	130224648	/nfs/dbraw/zinc/22/46/48/130224648.db2.gz	UTLLKIJOEKLOEC-XTNNDJGYSA-N	-1	3	490.581	5.272	50	30		JKEAHM
O=C(C=Cc1ccccc1)C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1	ZINC000102641435	130228570	/nfs/dbraw/zinc/22/85/70/130228570.db2.gz	RRLJZVLUYBNDGA-MDLVTALHSA-N	-1	3	467.418	6.027	50	30		JKEAHM
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)C1=C([O-])C=Cc1ccccc1	ZINC000102641435	130228573	/nfs/dbraw/zinc/22/85/73/130228573.db2.gz	RRLJZVLUYBNDGA-MDLVTALHSA-N	-1	3	467.418	6.027	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3cccc(OC)c3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102694839	130241081	/nfs/dbraw/zinc/24/10/81/130241081.db2.gz	XRYRIBAOFPDCPS-AYWGPLOBSA-N	-1	3	486.549	5.248	50	30		JKEAHM
CCOc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1	ZINC000102704047	130249277	/nfs/dbraw/zinc/24/92/77/130249277.db2.gz	VNTWEAGBXTYKSR-HOGKFDNTSA-N	-1	3	490.606	5.945	50	30		JKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cc4ccccc4o3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000102713157	130259654	/nfs/dbraw/zinc/25/96/54/130259654.db2.gz	FYGFMSYJLHFAEL-AYWGPLOBSA-N	-1	3	456.498	5.653	50	30		JKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc4ccccc4c3)[C@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000102719740	130265525	/nfs/dbraw/zinc/26/55/25/130265525.db2.gz	BUQRWBPXFQIFOE-NPJIAGGLSA-N	-1	3	466.537	6.060	50	30		JKEAHM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000102719740	130265527	/nfs/dbraw/zinc/26/55/27/130265527.db2.gz	BUQRWBPXFQIFOE-NPJIAGGLSA-N	-1	3	466.537	6.060	50	30		JKEAHM
CCOc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1	ZINC000102720247	130266222	/nfs/dbraw/zinc/26/62/22/130266222.db2.gz	AGXJZRYJJXJERV-SBXHHDGASA-N	-1	3	484.577	5.884	50	30		JKEAHM
C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1	ZINC000102735435	130280075	/nfs/dbraw/zinc/28/00/75/130280075.db2.gz	GPJGTWMOIIVBCG-IUOUCKIRSA-N	-1	3	474.582	5.390	50	30		JKEAHM
Cc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102771009	130295527	/nfs/dbraw/zinc/29/55/27/130295527.db2.gz	ZQYWRMVSXFPHDS-IIHDFJPDSA-N	-1	3	496.588	5.863	50	30		JKEAHM
Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102771009	130295528	/nfs/dbraw/zinc/29/55/28/130295528.db2.gz	ZQYWRMVSXFPHDS-IIHDFJPDSA-N	-1	3	496.588	5.863	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(O)cc3)sc2c1	ZINC000102771177	130295859	/nfs/dbraw/zinc/29/58/59/130295859.db2.gz	AOHABQPCTVVWBB-BBHOXHGRSA-N	-1	3	498.560	5.260	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(O)cc3)sc2c1	ZINC000102771180	130296184	/nfs/dbraw/zinc/29/61/84/130296184.db2.gz	AOHABQPCTVVWBB-WRPQUVRJSA-N	-1	3	498.560	5.260	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3)sc2c1	ZINC000102771397	130296603	/nfs/dbraw/zinc/29/66/03/130296603.db2.gz	VJDAGIGMGJIMDN-SOIUSXPSSA-N	-1	3	482.561	5.554	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3)sc2c1	ZINC000102771397	130296610	/nfs/dbraw/zinc/29/66/10/130296610.db2.gz	VJDAGIGMGJIMDN-SOIUSXPSSA-N	-1	3	482.561	5.554	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccnc3)nc2c(C)c1	ZINC000102771498	130296666	/nfs/dbraw/zinc/29/66/66/130296666.db2.gz	QYCZYEHRMLCEJE-YVMOQHDASA-N	-1	3	497.576	5.258	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccs3)sc2c1	ZINC000102771540	130296720	/nfs/dbraw/zinc/29/67/20/130296720.db2.gz	WDXQDGJEOQSLJQ-SJKYFALESA-N	-1	3	488.590	5.616	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3)nc2c(C)c1	ZINC000102771432	130296821	/nfs/dbraw/zinc/29/68/21/130296821.db2.gz	YTJUUZARZNWQBU-IRQCSYPQSA-N	-1	3	496.588	5.863	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3)nc2c(C)c1	ZINC000102771432	130296823	/nfs/dbraw/zinc/29/68/23/130296823.db2.gz	YTJUUZARZNWQBU-IRQCSYPQSA-N	-1	3	496.588	5.863	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102799154	130307436	/nfs/dbraw/zinc/30/74/36/130307436.db2.gz	FRZBTNXWWOMJBT-MOBKVPTQSA-N	-1	3	456.523	5.240	50	30		JKEAHM
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102799154	130307439	/nfs/dbraw/zinc/30/74/39/130307439.db2.gz	FRZBTNXWWOMJBT-MOBKVPTQSA-N	-1	3	456.523	5.240	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102799214	130307567	/nfs/dbraw/zinc/30/75/67/130307567.db2.gz	BRWSFDBRXDKDSK-JBCNATCCSA-N	-1	3	462.571	5.466	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cccc(Br)c2)c(OC)c1	ZINC000102800908	130310196	/nfs/dbraw/zinc/31/01/96/130310196.db2.gz	ZZHKMYBCHBSLIY-MOBKVPTQSA-N	-1	3	494.341	5.093	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cccc(Br)c2)cc1OC	ZINC000102801565	130310739	/nfs/dbraw/zinc/31/07/39/130310739.db2.gz	SLXXTHBRJAAAAP-HOGKFDNTSA-N	-1	3	494.341	5.093	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccccc3)nc2c(C)c1	ZINC000102858066	130328286	/nfs/dbraw/zinc/32/82/86/130328286.db2.gz	PIXUHPFZCVWREP-IAMBOQNYSA-N	-1	3	474.969	6.193	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1	ZINC000102860092	130330477	/nfs/dbraw/zinc/33/04/77/130330477.db2.gz	NPOBVZPXEWTCDK-KQAPWQHSSA-N	-1	3	496.632	6.837	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1	ZINC000102860092	130330481	/nfs/dbraw/zinc/33/04/81/130330481.db2.gz	NPOBVZPXEWTCDK-KQAPWQHSSA-N	-1	3	496.632	6.837	50	30		JKEAHM
CCOc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000102862557	130334468	/nfs/dbraw/zinc/33/44/68/130334468.db2.gz	YZMIKHZGSSTHRC-AYWGPLOBSA-N	-1	3	486.549	5.330	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000102875014	130346993	/nfs/dbraw/zinc/34/69/93/130346993.db2.gz	UEGOOWSSRFBBPK-KQAPWQHSSA-N	-1	3	498.604	6.247	50	30		JKEAHM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000102875014	130346995	/nfs/dbraw/zinc/34/69/95/130346995.db2.gz	UEGOOWSSRFBBPK-KQAPWQHSSA-N	-1	3	498.604	6.247	50	30		JKEAHM
COc1cccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1	ZINC000102876540	130348800	/nfs/dbraw/zinc/34/88/00/130348800.db2.gz	IHWXZXLNASJYMP-HFEWCJDKSA-N	-1	3	474.538	5.449	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000102881850	130359317	/nfs/dbraw/zinc/35/93/17/130359317.db2.gz	BAMNYSRHNQKXPE-SBXHHDGASA-N	-1	3	484.577	5.938	50	30		JKEAHM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000102881850	130359325	/nfs/dbraw/zinc/35/93/25/130359325.db2.gz	BAMNYSRHNQKXPE-SBXHHDGASA-N	-1	3	484.577	5.938	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000102881847	130359380	/nfs/dbraw/zinc/35/93/80/130359380.db2.gz	BAMNYSRHNQKXPE-NXLSWJSLSA-N	-1	3	484.577	5.938	50	30		JKEAHM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000102881847	130359388	/nfs/dbraw/zinc/35/93/88/130359388.db2.gz	BAMNYSRHNQKXPE-NXLSWJSLSA-N	-1	3	484.577	5.938	50	30		JKEAHM
COc1ccc(OC)c([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000102884269	130365569	/nfs/dbraw/zinc/36/55/69/130365569.db2.gz	NLAWSVOVSWVEDD-AYWGPLOBSA-N	-1	3	486.549	5.248	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000102886040	130366782	/nfs/dbraw/zinc/36/67/82/130366782.db2.gz	YHPKTFRQCRIXDQ-IUKMQXEJSA-N	-1	3	498.604	6.192	50	30		JKEAHM
CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102893901	130376074	/nfs/dbraw/zinc/37/60/74/130376074.db2.gz	LEHOBDZFTHHAGM-NXLSWJSLSA-N	-1	3	474.557	5.696	50	30		JKEAHM
C=CCOc1ccc(-c2nonc2[N-]C(=O)c2oc3ccc(Br)cc3c2C)cc1	ZINC000012389313	519008400	/nfs/dbraw/zinc/00/84/00/519008400.db2.gz	GTRWDXJAXHLIQK-UHFFFAOYSA-N	-1	3	454.280	5.371	50	30		JKEAHM
C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4ccccc4c3)C(=O)C(=O)N2c2cc(C)on2)cc1	ZINC000009313023	519043932	/nfs/dbraw/zinc/04/39/32/519043932.db2.gz	MPPTUHBVWITWKG-RUZDIDTESA-N	-1	3	466.493	5.484	50	30		JKEAHM
C=CCc1cccc(CN=Nc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)c1[O-]	ZINC000009030270	519140654	/nfs/dbraw/zinc/14/06/54/519140654.db2.gz	LIFXDQMCFMOCMM-JVWAILMASA-N	-1	3	454.555	5.943	50	30		JKEAHM
C=CCn1c(SCc2nc3c(c(=O)[n-]2)C(CC)(CC)Cc2ccccc2-3)nc2ccccc2c1=O	ZINC000020899589	519246422	/nfs/dbraw/zinc/24/64/22/519246422.db2.gz	YGDSQNNKQSPXHV-UHFFFAOYSA-N	-1	3	484.625	5.239	50	30		JKEAHM
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C(=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1	ZINC000048860854	519825837	/nfs/dbraw/zinc/82/58/37/519825837.db2.gz	MLPGAKGZEUFMJF-WOOBBHDOSA-N	-1	3	468.510	5.323	50	30		JKEAHM
CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nccs2)cc1	ZINC000009243487	519840199	/nfs/dbraw/zinc/84/01/99/519840199.db2.gz	AINARQNJEZXNIP-QRQCRPRQSA-N	-1	3	460.555	5.373	50	30		JKEAHM
CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1	ZINC000009087716	520254856	/nfs/dbraw/zinc/25/48/56/520254856.db2.gz	XZRFXOZOHLXDHF-XMMPIXPASA-N	-1	3	460.530	5.643	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3cc(Cl)ccc3Cl)c(=O)c1[C@H]2c1ccc(O)cc1	ZINC000018196389	520258705	/nfs/dbraw/zinc/25/87/05/520258705.db2.gz	JFMAYEJPUAIUQJ-IBGZPJMESA-N	-1	3	470.356	5.379	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@H]2c1ccc(Cl)c(Cl)c1	ZINC000012346982	520260413	/nfs/dbraw/zinc/26/04/13/520260413.db2.gz	TYOAXUGILMXMMY-IBGZPJMESA-N	-1	3	454.357	5.673	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccc(Cl)cc1Cl	ZINC000012347037	520267386	/nfs/dbraw/zinc/26/73/86/520267386.db2.gz	SDFWUDFNTABZRO-LJQANCHMSA-N	-1	3	454.357	6.085	50	30		JKEAHM
CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000009506991	520330191	/nfs/dbraw/zinc/33/01/91/520330191.db2.gz	AIIVVNQQPMPVBN-XMMPIXPASA-N	-1	3	474.557	5.852	50	30		JKEAHM
CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000009462686	520331576	/nfs/dbraw/zinc/33/15/76/520331576.db2.gz	WMVQWPAEMHDRRN-DEOSSOPVSA-N	-1	3	460.530	5.678	50	30		JKEAHM
CCCCN(C)Cc1c2c(c(C)cc1[O-])C(=O)/C(=C/c1cc3cc(Br)ccc3o1)O2	ZINC000020647738	520417316	/nfs/dbraw/zinc/41/73/16/520417316.db2.gz	VRUUNMIPXBSLSV-MTJSOVHGSA-N	-1	3	470.363	6.057	50	30		JKEAHM
CCCOc1ccc([C@H]2C(=C([O-])c3ccc4ccccc4c3)C(=O)C(=O)N2c2cc(C)on2)cc1	ZINC000009508055	520432048	/nfs/dbraw/zinc/43/20/48/520432048.db2.gz	ZKNUQLIDGGVELS-VWLOTQADSA-N	-1	3	468.509	5.708	50	30		JKEAHM
CCOc1cc(Br)c(Br)c(/C=N/c2ccc(F)c(Cl)c2)c1[O-]	ZINC000003035882	520649846	/nfs/dbraw/zinc/64/98/46/520649846.db2.gz	UQRWPMNZIFEOOF-IFRROFPPSA-N	-1	3	451.517	5.859	50	30		JKEAHM
CCOc1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(CC)cc2)C3)cc(Cl)c1[O-]	ZINC000016426718	520775394	/nfs/dbraw/zinc/77/53/94/520775394.db2.gz	HNOQQALMXJTCNH-AVRWGWEMSA-N	-1	3	496.003	5.541	50	30		JKEAHM
CCOc1cc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1[O-]	ZINC000016294130	520781309	/nfs/dbraw/zinc/78/13/09/520781309.db2.gz	IJBSBXKZEAGQRL-QHCPKHFHSA-N	-1	3	498.982	5.826	50	30		JKEAHM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2F)cc1Cl	ZINC000009969591	520881183	/nfs/dbraw/zinc/88/11/83/520881183.db2.gz	IYZMOXGSELFGAB-OAQYLSRUSA-N	-1	3	455.869	5.249	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000009275637	520882028	/nfs/dbraw/zinc/88/20/28/520882028.db2.gz	BOPLYGNYCRUCLQ-QHCPKHFHSA-N	-1	3	490.625	6.239	50	30		JKEAHM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000009275637	520882036	/nfs/dbraw/zinc/88/20/36/520882036.db2.gz	BOPLYGNYCRUCLQ-QHCPKHFHSA-N	-1	3	490.625	6.239	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1	ZINC000009994182	520882327	/nfs/dbraw/zinc/88/23/27/520882327.db2.gz	MEMKNWCYCHEVRB-VWLOTQADSA-N	-1	3	470.569	5.869	50	30		JKEAHM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1	ZINC000009994182	520882337	/nfs/dbraw/zinc/88/23/37/520882337.db2.gz	MEMKNWCYCHEVRB-VWLOTQADSA-N	-1	3	470.569	5.869	50	30		JKEAHM
CCN(CC)c1ccc([C@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000012347056	520924307	/nfs/dbraw/zinc/92/43/07/520924307.db2.gz	RVYHYFXPSWUCJM-HSZRJFAPSA-N	-1	3	456.590	5.212	50	30		JKEAHM
CCOc1ccc(N2C(=O)C([O-])=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000009374884	521033393	/nfs/dbraw/zinc/03/33/93/521033393.db2.gz	YOVMLPUABRNABP-NOTUDOMSSA-N	-1	3	459.929	5.921	50	30		JKEAHM
CCOc1ccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000009374884	521033400	/nfs/dbraw/zinc/03/34/00/521033400.db2.gz	YOVMLPUABRNABP-NOTUDOMSSA-N	-1	3	459.929	5.921	50	30		JKEAHM
CCOc1ccc(N2C(=O)C([O-])=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009243578	521034139	/nfs/dbraw/zinc/03/41/39/521034139.db2.gz	OBODMTMBMNSHJP-NOTUDOMSSA-N	-1	3	470.481	5.176	50	30		JKEAHM
CCOc1ccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009243578	521034151	/nfs/dbraw/zinc/03/41/51/521034151.db2.gz	OBODMTMBMNSHJP-NOTUDOMSSA-N	-1	3	470.481	5.176	50	30		JKEAHM
CCOc1ccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@@H]2c2ccc(OC)cc2OC)cc1	ZINC000001219481	521035425	/nfs/dbraw/zinc/03/54/25/521035425.db2.gz	FYBTVGHYPAZBBP-NHHXKRIFSA-N	-1	3	485.536	5.285	50	30		JKEAHM
CCOc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009065428	521238127	/nfs/dbraw/zinc/23/81/27/521238127.db2.gz	HDNZKPZECBWUIW-XMMPIXPASA-N	-1	3	484.577	6.095	50	30		JKEAHM
CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009065428	521238136	/nfs/dbraw/zinc/23/81/36/521238136.db2.gz	HDNZKPZECBWUIW-XMMPIXPASA-N	-1	3	484.577	6.095	50	30		JKEAHM
CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)nc1C	ZINC000009046375	521611238	/nfs/dbraw/zinc/61/12/38/521611238.db2.gz	SVOWXUNCAXXSBN-FQEVSTJZSA-N	-1	3	476.554	5.028	50	30		JKEAHM
CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)nc1C	ZINC000009236744	521611376	/nfs/dbraw/zinc/61/13/76/521611376.db2.gz	XDCSHQIUBBDWNZ-OAQYLSRUSA-N	-1	3	490.581	5.535	50	30		JKEAHM
COc1c2c(cc3c1[C@H](C/C(=N/[O-])c1cc(C(C)(C)C)cc4c1CCC4(C)C)N(C)CC3)OCO2	ZINC000020411362	521890806	/nfs/dbraw/zinc/89/08/06/521890806.db2.gz	COTWGGIERJHNGH-PILYFZOFSA-N	-1	3	478.633	5.743	50	30	biogenic	JKEAHM
COc1cc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1[O-]	ZINC000009312833	522928621	/nfs/dbraw/zinc/92/86/21/522928621.db2.gz	FKGDPRWAJKBPNN-QFIPXVFZSA-N	-1	3	471.395	6.002	50	30		JKEAHM
COc1cc([C@H]2C(C(=O)C=Cc3ccccc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)ccc1O	ZINC000009020050	522952627	/nfs/dbraw/zinc/95/26/27/522952627.db2.gz	MKPDGEMIYVPBOS-MQQRPPALSA-N	-1	3	495.453	5.602	50	30		JKEAHM
COc1cc([C@H]2C(=C([O-])C=Cc3ccccc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)ccc1O	ZINC000009020050	522952635	/nfs/dbraw/zinc/95/26/35/522952635.db2.gz	MKPDGEMIYVPBOS-MQQRPPALSA-N	-1	3	495.453	5.602	50	30		JKEAHM
COc1ccc(Br)c(/C=N/c2cccc(-c3nc4cc(Cl)ccc4o3)c2)c1[O-]	ZINC000003042842	523477475	/nfs/dbraw/zinc/47/74/75/523477475.db2.gz	HYVKPNFQLFOZCN-BHGWPJFGSA-N	-1	3	457.711	6.376	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000009301935	523567642	/nfs/dbraw/zinc/56/76/42/523567642.db2.gz	JKYGFABJCITVGY-JOCHJYFZSA-N	-1	3	462.571	5.675	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000009301935	523567645	/nfs/dbraw/zinc/56/76/45/523567645.db2.gz	JKYGFABJCITVGY-JOCHJYFZSA-N	-1	3	462.571	5.675	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(F)c2)cc1	ZINC000009046477	523568856	/nfs/dbraw/zinc/56/88/56/523568856.db2.gz	XUOLNOCUXBMEJS-QFIPXVFZSA-N	-1	3	474.513	5.535	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1	ZINC000008894400	524060093	/nfs/dbraw/zinc/06/00/93/524060093.db2.gz	DGPMYNPTAUSBNN-HSZRJFAPSA-N	-1	3	488.996	6.603	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccccc3F)sc2c1	ZINC000009435425	524060379	/nfs/dbraw/zinc/06/03/79/524060379.db2.gz	MVGTZUHHPGKYMK-QHCPKHFHSA-N	-1	3	472.541	6.089	50	30		JKEAHM
Cc1cc(C(C)(C)C)ccc1[C@H]1c2c([n-]n(-c3ccccc3)c2=O)NC2=C1C(=O)CC(C)(C)C2	ZINC000009971078	524202193	/nfs/dbraw/zinc/20/21/93/524202193.db2.gz	BEXQWAPFWXUVHP-HSZRJFAPSA-N	-1	3	455.602	6.384	50	30		JKEAHM
COc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000009015103	524385237	/nfs/dbraw/zinc/38/52/37/524385237.db2.gz	JDFISVXSNMRDCM-QHCPKHFHSA-N	-1	3	479.916	5.149	50	30		JKEAHM
Cc1cc(C)n(-c2nc(N=NCc3c([O-])ccc4ccccc43)nc(Nc3ccc(Cl)cc3)n2)n1	ZINC000022742317	524497898	/nfs/dbraw/zinc/49/78/98/524497898.db2.gz	RYAAZNLFXRJKHS-MZJWZYIUSA-N	-1	3	484.951	5.376	50	30		JKEAHM
COc1ccccc1N=C(NN=Cc1cc(Br)ccc1[O-])c1ccc2ccccc2n1	ZINC000016192411	524530910	/nfs/dbraw/zinc/53/09/10/524530910.db2.gz	ANLNCJPWCJOEGB-CVKSISIWSA-N	-1	3	475.346	5.604	50	30		JKEAHM
Cc1cccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@H]2c2ccc(Br)cc2)c1	ZINC000009370696	524531562	/nfs/dbraw/zinc/53/15/62/524531562.db2.gz	ZUTCELHSSIETLZ-BFEXVFPXSA-N	-1	3	474.354	5.940	50	30		JKEAHM
COc1ccccc1[C@H]1C(=C([O-])c2ccc(C)cc2)C(=O)C(=O)N1c1nc2c(cc(C)cc2C)s1	ZINC000009065474	524802180	/nfs/dbraw/zinc/80/21/80/524802180.db2.gz	CLAMTZQSIHUZEM-DEOSSOPVSA-N	-1	3	484.577	6.013	50	30		JKEAHM
COc1ccccc1[C@H]1C(C(=O)c2ccc(C)cc2)=C([O-])C(=O)N1c1nc2c(cc(C)cc2C)s1	ZINC000009065474	524802191	/nfs/dbraw/zinc/80/21/91/524802191.db2.gz	CLAMTZQSIHUZEM-DEOSSOPVSA-N	-1	3	484.577	6.013	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)c(OC)c1	ZINC000009380044	525218987	/nfs/dbraw/zinc/21/89/87/525218987.db2.gz	YCLPZLXVKZNRPI-HSZRJFAPSA-N	-1	3	486.549	5.405	50	30		JKEAHM
COc1ccc([C@@H]2c3c(=O)[n-][nH]c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OCc1ccccc1	ZINC000012349350	525279358	/nfs/dbraw/zinc/27/93/58/525279358.db2.gz	DVSFTDDDTMAWON-UUOWRZLLSA-N	-1	3	499.592	5.723	50	30		JKEAHM
COc1ccc([C@@H]2c3c(=O)[nH][n-]c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OCc1ccccc1	ZINC000012349350	525279366	/nfs/dbraw/zinc/27/93/66/525279366.db2.gz	DVSFTDDDTMAWON-UUOWRZLLSA-N	-1	3	499.592	5.723	50	30		JKEAHM
Cc1cc([O-])c(CN2CCCC[C@@H]2C)c2c1C(=O)/C(=C/c1cc3cc(Br)ccc3o1)O2	ZINC000020647756	525314059	/nfs/dbraw/zinc/31/40/59/525314059.db2.gz	BKFDPBDYWISQBE-QZDMBBGESA-N	-1	3	482.374	6.200	50	30		JKEAHM
Cc1cc([O-])c(CN2CCC[C@@H](C)C2)c2c1C(=O)/C(=C/c1cc3cc(Br)ccc3o1)O2	ZINC000020650655	525315422	/nfs/dbraw/zinc/31/54/22/525315422.db2.gz	OBTKYTYNXPLKMO-KENWVSPPSA-N	-1	3	482.374	6.057	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009236708	525386763	/nfs/dbraw/zinc/38/67/63/525386763.db2.gz	ABTLJVMEEDERNO-DEOSSOPVSA-N	-1	3	484.577	6.013	50	30		JKEAHM
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009236708	525386771	/nfs/dbraw/zinc/38/67/71/525386771.db2.gz	ABTLJVMEEDERNO-DEOSSOPVSA-N	-1	3	484.577	6.013	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(NC(C)=O)cc2)cc1	ZINC000009331207	525388288	/nfs/dbraw/zinc/38/82/88/525388288.db2.gz	AACCBDWOQWHQLN-QHCPKHFHSA-N	-1	3	476.916	5.090	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cccc(Br)c2)c(OC)c1	ZINC000009015051	525392263	/nfs/dbraw/zinc/39/22/63/525392263.db2.gz	DRBIKDIZYLAQAV-QFIPXVFZSA-N	-1	3	494.341	5.249	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cccc(Br)c2)cc1OC	ZINC000009110840	525392283	/nfs/dbraw/zinc/39/22/83/525392283.db2.gz	ZIEWIQKMVWSAOW-QFIPXVFZSA-N	-1	3	494.341	5.249	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@@H]3c3ccc(C)o3)sc2c1	ZINC000009557334	525669253	/nfs/dbraw/zinc/66/92/53/525669253.db2.gz	SWIBAYPPNIVDBA-QFIPXVFZSA-N	-1	3	486.505	5.735	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000009339526	525670873	/nfs/dbraw/zinc/67/08/73/525670873.db2.gz	QANHWTDFNYQYNY-DEOSSOPVSA-N	-1	3	484.577	6.211	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000009339526	525670881	/nfs/dbraw/zinc/67/08/81/525670881.db2.gz	QANHWTDFNYQYNY-DEOSSOPVSA-N	-1	3	484.577	6.211	50	30		JKEAHM
COc1cccc(CN=Nc2nc([N-]c3ccc([N+](=O)[O-])cc3)nc(Nc3ccc(C)c(C)c3)n2)c1	ZINC000015134997	525773416	/nfs/dbraw/zinc/77/34/16/525773416.db2.gz	AHVOSJBQWZEZBP-CVKSISIWSA-N	-1	3	484.520	5.338	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2F)c1	ZINC000009506781	525784979	/nfs/dbraw/zinc/78/49/79/525784979.db2.gz	PRFDXGYKOMWABB-QFIPXVFZSA-N	-1	3	474.513	5.535	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2F)c1	ZINC000009411234	525785414	/nfs/dbraw/zinc/78/54/14/525785414.db2.gz	GYCVKUXKJSLRHP-QHCPKHFHSA-N	-1	3	488.540	5.844	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000008973927	526026744	/nfs/dbraw/zinc/02/67/44/526026744.db2.gz	PWOAJHBQRWCYDB-AREMUKBSSA-N	-1	3	496.632	7.128	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000008973927	526026755	/nfs/dbraw/zinc/02/67/55/526026755.db2.gz	PWOAJHBQRWCYDB-AREMUKBSSA-N	-1	3	496.632	7.128	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000009177930	526027797	/nfs/dbraw/zinc/02/77/97/526027797.db2.gz	WFLXVWCIIIEGFW-DEOSSOPVSA-N	-1	3	468.578	6.313	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000009177930	526027809	/nfs/dbraw/zinc/02/78/09/526027809.db2.gz	WFLXVWCIIIEGFW-DEOSSOPVSA-N	-1	3	468.578	6.313	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000009046898	526027865	/nfs/dbraw/zinc/02/78/65/526027865.db2.gz	WFLXVWCIIIEGFW-XMMPIXPASA-N	-1	3	468.578	6.313	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000009046898	526027875	/nfs/dbraw/zinc/02/78/75/526027875.db2.gz	WFLXVWCIIIEGFW-XMMPIXPASA-N	-1	3	468.578	6.313	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000009380663	526028416	/nfs/dbraw/zinc/02/84/16/526028416.db2.gz	ZLHFEJYVFWKXIS-HSZRJFAPSA-N	-1	3	491.385	5.606	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000009380663	526028424	/nfs/dbraw/zinc/02/84/24/526028424.db2.gz	ZLHFEJYVFWKXIS-HSZRJFAPSA-N	-1	3	491.385	5.606	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000009272741	526028964	/nfs/dbraw/zinc/02/89/64/526028964.db2.gz	PDVSCKUFODYRJR-JOCHJYFZSA-N	-1	3	462.343	5.849	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000009272741	526028969	/nfs/dbraw/zinc/02/89/69/526028969.db2.gz	PDVSCKUFODYRJR-JOCHJYFZSA-N	-1	3	462.343	5.849	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000009069663	526029834	/nfs/dbraw/zinc/02/98/34/526029834.db2.gz	WWUFACJMBCPGCG-RUZDIDTESA-N	-1	3	496.632	6.994	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000009069663	526029849	/nfs/dbraw/zinc/02/98/49/526029849.db2.gz	WWUFACJMBCPGCG-RUZDIDTESA-N	-1	3	496.632	6.994	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000009379979	526030148	/nfs/dbraw/zinc/03/01/48/526030148.db2.gz	CPPUEPINZYKSJJ-OAQYLSRUSA-N	-1	3	471.494	5.296	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000009020007	526030512	/nfs/dbraw/zinc/03/05/12/526030512.db2.gz	IEDKNEHEJRHTTK-XMMPIXPASA-N	-1	3	468.578	6.511	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000009020007	526030523	/nfs/dbraw/zinc/03/05/23/526030523.db2.gz	IEDKNEHEJRHTTK-XMMPIXPASA-N	-1	3	468.578	6.511	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccccc2Cl)cc1	ZINC000009019407	526031723	/nfs/dbraw/zinc/03/17/23/526031723.db2.gz	GZGDQUTYTIDJTH-NRFANRHFSA-N	-1	3	460.942	6.041	50	30		JKEAHM
O=C(C1=C([O-])C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	ZINC000009272968	526268834	/nfs/dbraw/zinc/26/88/34/526268834.db2.gz	VTCPTSZDDCYPDE-BEFAXECRSA-N	-1	3	466.748	5.404	50	30		JKEAHM
O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	ZINC000009271954	526268915	/nfs/dbraw/zinc/26/89/15/526268915.db2.gz	JEKHHZNQLAGHLZ-HXUWFJFHSA-N	-1	3	473.743	5.820	50	30		JKEAHM
[O-]c1ccc(Br)cc1/C=N/N=C(/CSc1ccc2ccccc2n1)c1ccccc1	ZINC000009161328	526341518	/nfs/dbraw/zinc/34/15/18/526341518.db2.gz	AOVWXBCXECYGPV-AOQKKNAUSA-N	-1	3	476.399	6.318	50	30		JKEAHM
[O-]c1ccc2cc(Br)ccc2c1CN=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1	ZINC000016671082	526355115	/nfs/dbraw/zinc/35/51/15/526355115.db2.gz	BPRWRIVUXATKTQ-RHANQZHGSA-N	-1	3	495.380	6.878	50	30		JKEAHM
Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)s1	ZINC000009541818	526355238	/nfs/dbraw/zinc/35/52/38/526355238.db2.gz	DPNGNOZCPKWKHB-PEBXRYMYSA-N	-1	3	475.570	5.076	50	30		JKEAHM
Cc1sc([N-]C(=S)NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c(C#N)c1C	ZINC000016265851	526885011	/nfs/dbraw/zinc/88/50/11/526885011.db2.gz	UHZGNTKIFXWNHG-UHFFFAOYSA-N	-1	3	450.372	5.930	50	30		JKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2ccc(Br)cc2)sc1C	ZINC000009044980	526961345	/nfs/dbraw/zinc/96/13/45/526961345.db2.gz	OIGWQFMSLUPMID-IBGZPJMESA-N	-1	3	483.387	5.614	50	30		JKEAHM
O=C1[C@H](Cc2cc(Cl)ccc2Cl)S/C(=N/N=C/c2ccccc2[O-])N1Cc1ccco1	ZINC000006162607	527112510	/nfs/dbraw/zinc/11/25/10/527112510.db2.gz	JYGCNCZIOGAVQM-SAAIMPSOSA-N	-1	3	474.369	5.369	50	30		JKEAHM
O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1cccc(OCc2ccccc2)c1	ZINC000012347914	527456559	/nfs/dbraw/zinc/45/65/59/527456559.db2.gz	KBYYRWJOJWROTJ-RUZDIDTESA-N	-1	3	463.537	5.309	50	30		JKEAHM
O=C(C=Cc1ccccc1)C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009380437	527631036	/nfs/dbraw/zinc/63/10/36/527631036.db2.gz	HYIGONJPEUWYJR-VTJDKEBTSA-N	-1	3	494.425	5.796	50	30		JKEAHM
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccc([N+](=O)[O-])cc2)C1=C([O-])C=Cc1ccccc1	ZINC000009380437	527631040	/nfs/dbraw/zinc/63/10/40/527631040.db2.gz	HYIGONJPEUWYJR-VTJDKEBTSA-N	-1	3	494.425	5.796	50	30		JKEAHM
O=C(C=Cc1ccccc1)C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1F	ZINC000033055310	527657819	/nfs/dbraw/zinc/65/78/19/527657819.db2.gz	XTRWDAGZJMWUSW-OILJVOJPSA-N	-1	3	467.418	6.027	50	30		JKEAHM
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccccc2F)C1=C([O-])C=Cc1ccccc1	ZINC000033055310	527657825	/nfs/dbraw/zinc/65/78/25/527657825.db2.gz	XTRWDAGZJMWUSW-OILJVOJPSA-N	-1	3	467.418	6.027	50	30		JKEAHM
CC(C)(C)c1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000102877232	535121816	/nfs/dbraw/zinc/12/18/16/535121816.db2.gz	PXUAHBBIWOIATJ-AYWGPLOBSA-N	-1	3	486.568	6.359	50	30		JKEAHM
CC(C)(C)c1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000102521214	535122107	/nfs/dbraw/zinc/12/21/07/535122107.db2.gz	YORGSINLQKBSEJ-MRJHHRETSA-N	-1	3	492.597	6.421	50	30		JKEAHM
CCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102496385	535417861	/nfs/dbraw/zinc/41/78/61/535417861.db2.gz	BQZJMIZHUIKBCL-SBXHHDGASA-N	-1	3	484.577	5.938	50	30		JKEAHM
CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102496385	535417865	/nfs/dbraw/zinc/41/78/65/535417865.db2.gz	BQZJMIZHUIKBCL-SBXHHDGASA-N	-1	3	484.577	5.938	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccc(C)cc3)sc2c1	ZINC000102728947	535827830	/nfs/dbraw/zinc/82/78/30/535827830.db2.gz	CBDCJVVXSAZZKH-NXLSWJSLSA-N	-1	3	468.578	6.102	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(C)cc3)sc2c1	ZINC000102728947	535827832	/nfs/dbraw/zinc/82/78/32/535827832.db2.gz	CBDCJVVXSAZZKH-NXLSWJSLSA-N	-1	3	468.578	6.102	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1	ZINC000102707241	535828615	/nfs/dbraw/zinc/82/86/15/535828615.db2.gz	FEAYJAYXXUCPJA-AYWGPLOBSA-N	-1	3	488.996	6.447	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccccc3)sc2c1	ZINC000102720031	535829616	/nfs/dbraw/zinc/82/96/16/535829616.db2.gz	NJMNVSIBDMZZFL-MOBKVPTQSA-N	-1	3	474.969	6.138	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(C)cc3)sc2c1	ZINC000102726784	535829678	/nfs/dbraw/zinc/82/96/78/535829678.db2.gz	LIATUZKSIFHMTM-AYWGPLOBSA-N	-1	3	454.551	5.793	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C)cc3)sc2c1	ZINC000102726784	535829681	/nfs/dbraw/zinc/82/96/81/535829681.db2.gz	LIATUZKSIFHMTM-AYWGPLOBSA-N	-1	3	454.551	5.793	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000102708161	535829841	/nfs/dbraw/zinc/82/98/41/535829841.db2.gz	FQLVQKCHLQFEBH-AYWGPLOBSA-N	-1	3	486.593	6.376	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(C)cc3)sc2c1	ZINC000102726782	535830239	/nfs/dbraw/zinc/83/02/39/535830239.db2.gz	LIATUZKSIFHMTM-ZHHPLPSFSA-N	-1	3	454.551	5.793	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(C)cc3)sc2c1	ZINC000102726782	535830244	/nfs/dbraw/zinc/83/02/44/535830244.db2.gz	LIATUZKSIFHMTM-ZHHPLPSFSA-N	-1	3	454.551	5.793	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cccc(OC)c3)sc2c1	ZINC000102709036	535831247	/nfs/dbraw/zinc/83/12/47/535831247.db2.gz	LYSODZVVWYZSGY-MRJHHRETSA-N	-1	3	476.579	5.555	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(C)cc3)sc2c1	ZINC000102692172	535832304	/nfs/dbraw/zinc/83/23/04/535832304.db2.gz	ALNHEWVEXKBSLK-MRJHHRETSA-N	-1	3	460.580	5.855	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(F)cc2)cc1C	ZINC000102709278	536568433	/nfs/dbraw/zinc/56/84/33/536568433.db2.gz	IUJRLLOCMTVYEI-ZHHPLPSFSA-N	-1	3	488.540	5.687	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2)cc1C	ZINC000102699320	536568782	/nfs/dbraw/zinc/56/87/82/536568782.db2.gz	UNBJJUXYLQVESC-ZHHPLPSFSA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2)cc1C	ZINC000102699320	536568792	/nfs/dbraw/zinc/56/87/92/536568792.db2.gz	UNBJJUXYLQVESC-ZHHPLPSFSA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000102517554	536569090	/nfs/dbraw/zinc/56/90/90/536569090.db2.gz	LKZCMPHPEFJPIF-AYWGPLOBSA-N	-1	3	486.549	5.248	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C)cc2)cc1C	ZINC000102706812	536569150	/nfs/dbraw/zinc/56/91/50/536569150.db2.gz	WCBMOHLGLCKVQG-SBXHHDGASA-N	-1	3	484.577	5.856	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C)cc2)cc1C	ZINC000102706812	536569156	/nfs/dbraw/zinc/56/91/56/536569156.db2.gz	WCBMOHLGLCKVQG-SBXHHDGASA-N	-1	3	484.577	5.856	50	30		JKEAHM
COc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000102798316	536659681	/nfs/dbraw/zinc/65/96/81/536659681.db2.gz	ACAZOGYMOUXNLH-JBCNATCCSA-N	-1	3	464.315	5.084	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(F)cc2)c1	ZINC000102711007	537073496	/nfs/dbraw/zinc/07/34/96/537073496.db2.gz	NDUPBTNTJISWGX-HOGKFDNTSA-N	-1	3	474.513	5.379	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2)c1	ZINC000102710091	537073733	/nfs/dbraw/zinc/07/37/33/537073733.db2.gz	YBTBZMJEPQOCMD-HOGKFDNTSA-N	-1	3	456.523	5.240	50	30		JKEAHM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2)c1	ZINC000102710091	537073738	/nfs/dbraw/zinc/07/37/38/537073738.db2.gz	YBTBZMJEPQOCMD-HOGKFDNTSA-N	-1	3	456.523	5.240	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Cl)cc2)c1	ZINC000102690410	537073859	/nfs/dbraw/zinc/07/38/59/537073859.db2.gz	HTJFCOWKUPDTMB-MOBKVPTQSA-N	-1	3	490.968	5.893	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2)c1	ZINC000102702849	537074005	/nfs/dbraw/zinc/07/40/05/537074005.db2.gz	RINVAGNLWMZZJL-COUQNMRISA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2)c1	ZINC000102702849	537074007	/nfs/dbraw/zinc/07/40/07/537074007.db2.gz	RINVAGNLWMZZJL-COUQNMRISA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C)o2)c1	ZINC000102715669	537074227	/nfs/dbraw/zinc/07/42/27/537074227.db2.gz	CQPLXSAAUZYDED-HFEWCJDKSA-N	-1	3	474.538	5.449	50	30		JKEAHM
COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1[O-]	ZINC000000627036	553715014	/nfs/dbraw/zinc/71/50/14/553715014.db2.gz	XPSNCIKNZVVTFI-UHFFFAOYSA-N	-1	3	474.395	5.137	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000000634281	553720171	/nfs/dbraw/zinc/72/01/71/553720171.db2.gz	SAHYXKASBJHHLF-OAQYLSRUSA-N	-1	3	463.559	5.152	50	30		JKEAHM
COc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(Br)c1[O-]	ZINC000000657440	553737141	/nfs/dbraw/zinc/73/71/41/553737141.db2.gz	ODRAULYXZBIYFT-UHFFFAOYSA-N	-1	3	488.422	5.479	50	30		JKEAHM
N#Cc1c2c(sc1[N-]C(=S)NC(=O)c1ccc(-c3cccc(Cl)c3Cl)o1)CCC2	ZINC000000678893	553751973	/nfs/dbraw/zinc/75/19/73/553751973.db2.gz	WSILRYRGYTXPRJ-UHFFFAOYSA-N	-1	3	462.383	5.802	50	30		JKEAHM
COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000000702394	553761156	/nfs/dbraw/zinc/76/11/56/553761156.db2.gz	GQHJGGQPFAFVLG-HSZRJFAPSA-N	-1	3	498.560	5.483	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@H]3c3ccccc3)nc2c(C)c1	ZINC000000703123	553761976	/nfs/dbraw/zinc/76/19/76/553761976.db2.gz	CJTCDVQWFUSPHO-XMMPIXPASA-N	-1	3	480.545	6.442	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000000703117	553762020	/nfs/dbraw/zinc/76/20/20/553762020.db2.gz	JJKYKZXLAZFIPK-XMMPIXPASA-N	-1	3	496.544	6.142	50	30		JKEAHM
CCOc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc(Br)c1[O-]	ZINC000000717971	553769819	/nfs/dbraw/zinc/76/98/19/553769819.db2.gz	ZJDILBBHTUOOOP-DEOSSOPVSA-N	-1	3	464.359	6.380	50	30		JKEAHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2cccc(O)c2)cc1Br	ZINC000000719241	553770938	/nfs/dbraw/zinc/77/09/38/553770938.db2.gz	VRZOPKITVYWQQW-NRFANRHFSA-N	-1	3	464.315	5.246	50	30		JKEAHM
CCOc1cc(-c2nc3ccccn3c2/N=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)ccc1[O-]	ZINC000000727591	553774566	/nfs/dbraw/zinc/77/45/66/553774566.db2.gz	ZUZNQOQSVNUUCF-LQKURTRISA-N	-1	3	498.495	6.033	50	30		JKEAHM
COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Br)c1[O-]	ZINC000000812939	553785315	/nfs/dbraw/zinc/78/53/15/553785315.db2.gz	BNABLINVLUQUQD-PUAOIOHZSA-N	-1	3	491.385	6.143	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(C(C)=O)cc2)cc1	ZINC000000842119	553793610	/nfs/dbraw/zinc/79/36/10/553793610.db2.gz	YENOZCYVDOAOSF-HSZRJFAPSA-N	-1	3	461.901	5.334	50	30		JKEAHM
CCOc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1[O-]	ZINC000000844166	553794799	/nfs/dbraw/zinc/79/47/99/553794799.db2.gz	OXHMRPPZHMBOFF-FQEVSTJZSA-N	-1	3	492.410	5.109	50	30		JKEAHM
C[C@H]1CCc2c(C#N)c([N-]C(=O)c3cc4nc(-c5cccs5)cc(C(F)(F)F)n4n3)sc2C1	ZINC000000845365	553795925	/nfs/dbraw/zinc/79/59/25/553795925.db2.gz	CDBGHJPVQSNFAM-NSHDSACASA-N	-1	3	487.532	5.787	50	30		JKEAHM
COc1ccc(OC)c([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccccc3s2)c1	ZINC000000846445	553796446	/nfs/dbraw/zinc/79/64/46/553796446.db2.gz	MZXFREJXXLBJIF-JOCHJYFZSA-N	-1	3	472.522	5.096	50	30		JKEAHM
C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cnn4c3nc(-c3ccccc3)cc4C(F)(F)F)sc2C1	ZINC000000994588	553896970	/nfs/dbraw/zinc/89/69/70/553896970.db2.gz	WESXCHZAKADSGL-CYBMUJFWSA-N	-1	3	481.503	5.725	50	30		JKEAHM
COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)ccc1[O-]	ZINC000001023047	553900475	/nfs/dbraw/zinc/90/04/75/553900475.db2.gz	HAEUSNASLANSPX-RWPZCVJISA-N	-1	3	457.917	6.688	50	30		JKEAHM
CCOc1ccc([C@H]2C(=C([O-])c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2ccccn2)cc1	ZINC000001020265	553900566	/nfs/dbraw/zinc/90/05/66/553900566.db2.gz	MEVHBAUNGUJYLD-DEOSSOPVSA-N	-1	3	458.514	5.050	50	30		JKEAHM
CC(=O)c1ccc(NC(=O)CSc2nc3ccc(N=Cc4cc(Cl)ccc4[O-])cc3s2)cc1	ZINC000001058554	553902490	/nfs/dbraw/zinc/90/24/90/553902490.db2.gz	NVNJZWNKNVHQSU-RPPGKUMJSA-N	-1	3	496.013	6.339	50	30		JKEAHM
CN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc([O-])c(Br)c2)C2=C1CC(C)(C)CC2=O	ZINC000001158056	553919501	/nfs/dbraw/zinc/91/95/01/553919501.db2.gz	CNEAKPKMNDXVEB-UHFFFAOYSA-N	-1	3	458.396	5.470	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(Br)cc2)c(OC)c1	ZINC000001170617	553922138	/nfs/dbraw/zinc/92/21/38/553922138.db2.gz	QIKSJXBGAXKCRI-QFIPXVFZSA-N	-1	3	494.341	5.249	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2ccccc2)cc1OC	ZINC000001209046	553932955	/nfs/dbraw/zinc/93/29/55/553932955.db2.gz	CRVNGVZOCVRMHV-QFIPXVFZSA-N	-1	3	494.341	5.249	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2ccccc2)cc1OC	ZINC000001209047	553933062	/nfs/dbraw/zinc/93/30/62/553933062.db2.gz	CRVNGVZOCVRMHV-JOCHJYFZSA-N	-1	3	494.341	5.249	50	30		JKEAHM
CCOc1cc(Cl)cc(/C=N/c2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)c1[O-]	ZINC000001262010	553937720	/nfs/dbraw/zinc/93/77/20/553937720.db2.gz	DNIDCWNSPFRXGU-WGOQTCKBSA-N	-1	3	469.994	5.219	50	30		JKEAHM
CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc(Cl)c1[O-]	ZINC000001434779	553971434	/nfs/dbraw/zinc/97/14/34/553971434.db2.gz	ILODJTKBLCGTOI-DNOBIOAJSA-N	-1	3	474.988	6.732	50	30		JKEAHM
CC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000001436816	553972034	/nfs/dbraw/zinc/97/20/34/553972034.db2.gz	BEYZIXQPFYPNAH-JOCHJYFZSA-N	-1	3	476.326	5.435	50	30		JKEAHM
CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Cl)c1[O-]	ZINC000001438097	553972039	/nfs/dbraw/zinc/97/20/39/553972039.db2.gz	FGSYIARSMXGJTE-MRDQGFSESA-N	-1	3	460.961	6.424	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccs2)cc1C	ZINC000001450703	553973639	/nfs/dbraw/zinc/97/36/39/553973639.db2.gz	OXKFBPSPFIPFEN-QFIPXVFZSA-N	-1	3	490.606	6.075	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccs2)cc1C	ZINC000001450703	553973641	/nfs/dbraw/zinc/97/36/41/553973641.db2.gz	OXKFBPSPFIPFEN-QFIPXVFZSA-N	-1	3	490.606	6.075	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccn2)cc1	ZINC000001451926	553974177	/nfs/dbraw/zinc/97/41/77/553974177.db2.gz	NOCVSCKGJPSFDS-QHCPKHFHSA-N	-1	3	485.565	5.490	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)c(C)c1	ZINC000001467560	553976588	/nfs/dbraw/zinc/97/65/88/553976588.db2.gz	MBEQJJGIJVUJMU-RUZDIDTESA-N	-1	3	456.542	5.695	50	30		JKEAHM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)c(C)c1	ZINC000001467560	553976591	/nfs/dbraw/zinc/97/65/91/553976591.db2.gz	MBEQJJGIJVUJMU-RUZDIDTESA-N	-1	3	456.542	5.695	50	30		JKEAHM
CCOc1ccc(-c2nc3cc(/N=C/c4cc(Br)cc(OC)c4[O-])ccc3o2)cc1	ZINC000001511791	553977748	/nfs/dbraw/zinc/97/77/48/553977748.db2.gz	IXZLJRKXJDMKIE-DHRITJCHSA-N	-1	3	467.319	6.121	50	30		JKEAHM
CCCCCCCCCCn1c2ccccc2nc1NCc1cc(Br)ccc1[O-]	ZINC000001832037	553993267	/nfs/dbraw/zinc/99/32/67/553993267.db2.gz	ULBKXHNNTVZGIC-UHFFFAOYSA-N	-1	3	458.444	7.257	50	30		JKEAHM
COC(=O)c1sc([N-]C(=S)NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c(C#N)c1C	ZINC000001847041	553995449	/nfs/dbraw/zinc/99/54/49/553995449.db2.gz	SQZUWJDFXVZSTL-UHFFFAOYSA-N	-1	3	494.381	5.408	50	30		JKEAHM
CCOc1cc(Br)cc(/C=N/c2ccc3oc(-c4cccc(C)c4)nc3c2)c1[O-]	ZINC000001953311	554006839	/nfs/dbraw/zinc/00/68/39/554006839.db2.gz	ZSEOUBKLOFZGBD-DHRITJCHSA-N	-1	3	451.320	6.421	50	30		JKEAHM
CCC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3c(C)onc3-c3ccccc3Cl)sc2C1	ZINC000002082933	554028539	/nfs/dbraw/zinc/02/85/39/554028539.db2.gz	WKMHDJPWBULJDL-OAHLLOKOSA-N	-1	3	468.022	7.030	50	30		JKEAHM
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[N-]c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2	ZINC000002091341	554034669	/nfs/dbraw/zinc/03/46/69/554034669.db2.gz	GTHIXJCOZOXWCP-CYBMUJFWSA-N	-1	3	471.985	6.779	50	30		JKEAHM
N#Cc1c([N-]C(=O)c2sc3ccccc3c2Cl)sc2c1CCCCCCCCCC2	ZINC000002103206	554043575	/nfs/dbraw/zinc/04/35/75/554043575.db2.gz	HRRJFLYZEMMNQR-UHFFFAOYSA-N	-1	3	457.064	7.960	50	30		JKEAHM
CCCCCCCSc1nnc2c(n1)O[C@@]1([N-]c3ccccc3-2)C(=O)Nc2ccc(Cl)cc21	ZINC000002113724	554052329	/nfs/dbraw/zinc/05/23/29/554052329.db2.gz	NLYWUKROYYGSPJ-XMMPIXPASA-N	-1	3	482.009	5.864	50	30		JKEAHM
CCCOCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Cl)c([O-])c(OCC)c1	ZINC000002190651	554085894	/nfs/dbraw/zinc/08/58/94/554085894.db2.gz	UTXDHKLGCWHMSK-JOCHJYFZSA-N	-1	3	492.012	5.018	50	30		JKEAHM
O=C([N-]c1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(c1ccc(Cl)cc1)=N2)c1ccco1	ZINC000002253875	554117175	/nfs/dbraw/zinc/11/71/75/554117175.db2.gz	FUBAGQVWPWYWHP-SFHVURJKSA-N	-1	3	452.301	5.219	50	30		JKEAHM
CCc1ccc(N=C([N-]C(=O)Nc2ccc(Cl)c(Cl)c2)Nc2nc(C)cc(C)n2)cc1	ZINC000002266861	554125243	/nfs/dbraw/zinc/12/52/43/554125243.db2.gz	TXAGFWIPIBEGPE-UHFFFAOYSA-N	-1	3	457.365	5.884	50	30		JKEAHM
Cc1cc(C)nc(N=C([N-]C(=O)Nc2ccc(Cl)c(Cl)c2)Nc2cccc([N+](=O)[O-])c2)n1	ZINC000002269775	554126504	/nfs/dbraw/zinc/12/65/04/554126504.db2.gz	GJJISFLFKQCDGD-UHFFFAOYSA-N	-1	3	474.308	5.230	50	30		JKEAHM
O=C1[N-]/C(=N/N=C/c2ccc(-c3ccccc3Cl)o2)S[C@@H]1Cc1ccc(Br)cc1	ZINC000002324230	554148513	/nfs/dbraw/zinc/14/85/13/554148513.db2.gz	BPLOKAZGBKEAAC-QVHMZZSFSA-N	-1	3	488.794	5.527	50	30		JKEAHM
C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cnn4c3nc(-c3ccco3)cc4C(F)(F)F)sc2C1	ZINC000002493558	554227563	/nfs/dbraw/zinc/22/75/63/554227563.db2.gz	MOYQKDICGOWFNZ-LLVKDONJSA-N	-1	3	471.464	5.318	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000002501872	554229646	/nfs/dbraw/zinc/22/96/46/554229646.db2.gz	IIYJCWYEXFYHGP-NRFANRHFSA-N	-1	3	477.586	5.326	50	30		JKEAHM
N#Cc1ccc(CSc2nnc([N-]C(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)s2)cc1	ZINC000002656885	554272050	/nfs/dbraw/zinc/27/20/50/554272050.db2.gz	CPHWHMBLYXPLTE-UHFFFAOYSA-N	-1	3	494.605	5.807	50	30		JKEAHM
N#Cc1c2c(sc1[N-]C(=O)c1ccc(COc3ccccc3Cl)o1)CCCCCCCCCC2	ZINC000002760417	554331563	/nfs/dbraw/zinc/33/15/63/554331563.db2.gz	OUYNOONRUMDKPH-UHFFFAOYSA-N	-1	3	497.060	7.917	50	30		JKEAHM
CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cc4nc(C(F)F)cc(C(F)F)n4n3)sc2C1	ZINC000002791118	554346744	/nfs/dbraw/zinc/34/67/44/554346744.db2.gz	CWVQHLSLCOPHCF-SNVBAGLBSA-N	-1	3	479.503	5.941	50	30		JKEAHM
COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)[N-]c3sc4c(c3C#N)CCCC4)c2n1	ZINC000002793534	554349185	/nfs/dbraw/zinc/34/91/85/554349185.db2.gz	KMSZPWMXAQMCLC-UHFFFAOYSA-N	-1	3	479.512	5.407	50	30		JKEAHM
COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)c([O-])c(OC)c2)C2=C1CC(C)(C)CC2=O	ZINC000002818077	554363184	/nfs/dbraw/zinc/36/31/84/554363184.db2.gz	GDTWXQXIAKQZQF-UHFFFAOYSA-N	-1	3	488.024	5.386	50	30		JKEAHM
N#Cc1c2c(sc1[N-]C(=O)c1cc3nc(-c4cccs4)cc(C(F)(F)Cl)n3n1)CCC2	ZINC000002873250	554396612	/nfs/dbraw/zinc/39/66/12/554396612.db2.gz	UZCIDNATYKQSNZ-UHFFFAOYSA-N	-1	3	475.933	5.420	50	30		JKEAHM
CCc1c(C)sc([N-]C(=O)c2cnn3c2nc(-c2ccc(C)cc2)cc3C(F)F)c1C#N	ZINC000002883785	554405295	/nfs/dbraw/zinc/40/52/95/554405295.db2.gz	LIKSBXPCILJYKS-UHFFFAOYSA-N	-1	3	451.502	5.699	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccccc3s2)cc1OC	ZINC000006282473	554525691	/nfs/dbraw/zinc/52/56/91/554525691.db2.gz	UGIYBBGEFQMHQR-QFIPXVFZSA-N	-1	3	472.522	5.096	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(O)cc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000006406732	554533625	/nfs/dbraw/zinc/53/36/25/554533625.db2.gz	ZLZBKDGPYNICKA-OAQYLSRUSA-N	-1	3	464.315	5.246	50	30		JKEAHM
CCCCCCCCN(C(=O)CO/N=C/c1cc(Br)ccc1[O-])c1ccccc1	ZINC000008399812	554575050	/nfs/dbraw/zinc/57/50/50/554575050.db2.gz	VMZCDIIGQNLJQZ-KOEQRZSOSA-N	-1	3	461.400	5.899	50	30		JKEAHM
CCCCCCCCCCCCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc([N+](=O)[O-])cc2)N1	ZINC000008427144	554582254	/nfs/dbraw/zinc/58/22/54/554582254.db2.gz	XQXBSIWEBAMRAO-XMMPIXPASA-N	-1	3	499.574	7.139	50	30		JKEAHM
CCOc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc(Cl)c1[O-]	ZINC000008437189	554588265	/nfs/dbraw/zinc/58/82/65/554588265.db2.gz	AXOMEISNHXCJDZ-DEOSSOPVSA-N	-1	3	481.976	5.198	50	30		JKEAHM
CCOc1cc(/C=C2\CCC/C(=C\c3cc(Cl)c(O)c(OCC)c3)C2=O)cc(Cl)c1[O-]	ZINC000008456809	554600481	/nfs/dbraw/zinc/60/04/81/554600481.db2.gz	UBNIWCQGNMPLDO-GONBZBRSSA-N	-1	3	463.357	6.422	50	30		JKEAHM
C=CCn1c(=O)c2ccccc2nc1SCc1nc2c(c(=O)[n-]1)C1(CCCCC1)Cc1ccccc1-2	ZINC000008739486	554641201	/nfs/dbraw/zinc/64/12/01/554641201.db2.gz	MQQZFYSKTHCWSO-UHFFFAOYSA-N	-1	3	496.636	5.383	50	30	biogenic	JKEAHM
C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000008740264	554642411	/nfs/dbraw/zinc/64/24/11/554642411.db2.gz	CXVYXLXJYNNLTJ-DEOSSOPVSA-N	-1	3	472.541	5.628	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(F)cc2)cc1C	ZINC000008740700	554642870	/nfs/dbraw/zinc/64/28/70/554642870.db2.gz	HWOHLNYADPEDAO-HSZRJFAPSA-N	-1	3	488.540	5.844	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3ccc(C)cc3)sc2c1	ZINC000008740726	554642874	/nfs/dbraw/zinc/64/28/74/554642874.db2.gz	GPFRQPLZZRHSME-JOCHJYFZSA-N	-1	3	458.539	5.851	50	30		JKEAHM
Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC(C)C)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)s1	ZINC000008743006	554645607	/nfs/dbraw/zinc/64/56/07/554645607.db2.gz	QJHFRTPBLGPDDI-JOCHJYFZSA-N	-1	3	491.613	5.714	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cccc(OC)c3)sc2c1	ZINC000008744087	554647223	/nfs/dbraw/zinc/64/72/23/554647223.db2.gz	YBXAXCGZNKKNSD-NRFANRHFSA-N	-1	3	476.579	5.712	50	30		JKEAHM
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC[C@H]2/N=C/c1cc(Br)ccc1[O-]	ZINC000008789144	554681481	/nfs/dbraw/zinc/68/14/81/554681481.db2.gz	HRXCHYCHNSDAKH-STKMCZRVSA-N	-1	3	458.484	7.375	50	30	biogenic	JKEAHM
COc1ccccc1[C@@H]1C(=C([O-])c2ccc(C)o2)C(=O)C(=O)N1c1nc2c(cc(C)cc2C)s1	ZINC000008816811	554698926	/nfs/dbraw/zinc/69/89/26/554698926.db2.gz	IRENLNCWNBVNGB-JOCHJYFZSA-N	-1	3	474.538	5.606	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2F)cc1	ZINC000008817040	554699546	/nfs/dbraw/zinc/69/95/46/554699546.db2.gz	LLPYKLYDGLONRV-JOCHJYFZSA-N	-1	3	474.513	5.535	50	30		JKEAHM
COc1ccc(OC)c([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000008837061	554737501	/nfs/dbraw/zinc/73/75/01/554737501.db2.gz	VTJFJQXXKZUNOE-OAQYLSRUSA-N	-1	3	492.578	5.466	50	30		JKEAHM
COc1ccc(OC)c([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000008837062	554737657	/nfs/dbraw/zinc/73/76/57/554737657.db2.gz	VTJFJQXXKZUNOE-NRFANRHFSA-N	-1	3	492.578	5.466	50	30		JKEAHM
COc1cccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1	ZINC000008837658	554738792	/nfs/dbraw/zinc/73/87/92/554738792.db2.gz	MGCNWBZEQCPIGW-OAQYLSRUSA-N	-1	3	476.579	5.766	50	30		JKEAHM
CCOc1ccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000008838048	554739375	/nfs/dbraw/zinc/73/93/75/554739375.db2.gz	YRAUMGSNXYTQJN-QHCPKHFHSA-N	-1	3	488.565	5.996	50	30		JKEAHM
CCCCCCOc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2cccc(F)c2)c1	ZINC000008846501	554745140	/nfs/dbraw/zinc/74/51/40/554745140.db2.gz	JGDQKEOCPPUWRT-AREMUKBSSA-N	-1	3	473.544	6.568	50	30		JKEAHM
O=[N+]([O-])c1ccc([N-]c2nc(N=NCc3ccc(Cl)c(Cl)c3)nc(N3CCCCC3)n2)cc1	ZINC000008872665	554769268	/nfs/dbraw/zinc/76/92/68/554769268.db2.gz	VIBNIPFLOVNRTF-ZMOGYAJESA-N	-1	3	487.351	5.267	50	30		JKEAHM
Cc1ccc(Nc2nc(N=NCc3ccc4c(c3)OCO4)nc([N-]c3ccc([N+](=O)[O-])cc3)n2)cc1C	ZINC000008872836	554769564	/nfs/dbraw/zinc/76/95/64/554769564.db2.gz	CPNFYAAENFYQRG-ZMFRSBBQSA-N	-1	3	498.503	5.059	50	30		JKEAHM
Cc1ccc(Nc2nc(N=NCc3ccccc3Cl)nc([N-]c3ccc([N+](=O)[O-])cc3)n2)cc1C	ZINC000008872889	554769684	/nfs/dbraw/zinc/76/96/84/554769684.db2.gz	IZNULDOHPMZYDG-VULFUBBASA-N	-1	3	488.939	5.983	50	30		JKEAHM
COc1ccc(-c2cn(/N=C/c3ccc(Cl)cc3Cl)c([N-]C(=O)Nc3ccccc3)n2)cc1	ZINC000008873000	554770024	/nfs/dbraw/zinc/77/00/24/554770024.db2.gz	HTKXLSXLBZTLNO-MZJWZYIUSA-N	-1	3	480.355	6.392	50	30		JKEAHM
COc1cccc(NC(=O)[N-]c2nc(-c3ccc(F)cc3)cn2/N=C/c2ccc(Cl)cc2Cl)c1	ZINC000008873009	554770040	/nfs/dbraw/zinc/77/00/40/554770040.db2.gz	WUONUUQXLPUAKQ-XODNFHPESA-N	-1	3	498.345	6.531	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(C)cc3)sc2c1	ZINC000008894144	554783151	/nfs/dbraw/zinc/78/31/51/554783151.db2.gz	IFBGIGCPASYPSG-QHCPKHFHSA-N	-1	3	488.996	6.603	50	30		JKEAHM
C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000008896619	554786545	/nfs/dbraw/zinc/78/65/45/554786545.db2.gz	BXNNUZMQMLPEKF-XMMPIXPASA-N	-1	3	458.514	5.454	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000008905493	554799968	/nfs/dbraw/zinc/79/99/68/554799968.db2.gz	MJGCDWXPMQZVPS-NRFANRHFSA-N	-1	3	471.494	5.296	50	30		JKEAHM
CC(C)Oc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000008920654	554817445	/nfs/dbraw/zinc/81/74/45/554817445.db2.gz	YHPJXIKAEWSTOV-JOCHJYFZSA-N	-1	3	476.598	6.011	50	30		JKEAHM
COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc(I)c1[O-]	ZINC000008927626	554824910	/nfs/dbraw/zinc/82/49/10/554824910.db2.gz	JKEZDEFIOJYTBA-FQEVSTJZSA-N	-1	3	490.341	5.227	50	30		JKEAHM
C=CCn1c(S[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)nnc1C1CCCCC1	ZINC000008943611	554832601	/nfs/dbraw/zinc/83/26/01/554832601.db2.gz	TUHGPZMJDSMTGV-CQSZACIVSA-N	-1	3	467.620	5.923	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2)cc1	ZINC000008973689	554844900	/nfs/dbraw/zinc/84/49/00/554844900.db2.gz	WEIJMRNTKMTQSZ-HSZRJFAPSA-N	-1	3	470.550	5.786	50	30		JKEAHM
COc1ccccc1[C@H]1C(=C([O-])c2ccccc2)C(=O)C(=O)N1c1nc2c(cc(C)cc2C)s1	ZINC000008980859	554846758	/nfs/dbraw/zinc/84/67/58/554846758.db2.gz	SBWFACLRXIVLDO-QHCPKHFHSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1c1nc2c(cc(C)cc2C)s1	ZINC000008980859	554846760	/nfs/dbraw/zinc/84/67/60/554846760.db2.gz	SBWFACLRXIVLDO-QHCPKHFHSA-N	-1	3	470.550	5.705	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(Cl)cc3)sc2c1	ZINC000008987722	554850156	/nfs/dbraw/zinc/85/01/56/554850156.db2.gz	OCTDSGXSGXEBKZ-OAQYLSRUSA-N	-1	3	460.942	6.041	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1	ZINC000008988162	554850697	/nfs/dbraw/zinc/85/06/97/554850697.db2.gz	XFJINVFSZXQFOM-QFIPXVFZSA-N	-1	3	485.521	5.604	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(F)cc2)c1	ZINC000008996551	554857338	/nfs/dbraw/zinc/85/73/38/554857338.db2.gz	AIZNHPHJRYDSIJ-QFIPXVFZSA-N	-1	3	474.513	5.535	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C)o2)c1	ZINC000008996628	554857724	/nfs/dbraw/zinc/85/77/24/554857724.db2.gz	ZSNMPRPBVDIQJR-NRFANRHFSA-N	-1	3	460.511	5.298	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C)cc2)cc1C	ZINC000008996799	554857837	/nfs/dbraw/zinc/85/78/37/554857837.db2.gz	GWXJDGOSJCUEMI-DEOSSOPVSA-N	-1	3	484.577	6.013	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C)cc2)cc1C	ZINC000008996799	554857840	/nfs/dbraw/zinc/85/78/40/554857840.db2.gz	GWXJDGOSJCUEMI-DEOSSOPVSA-N	-1	3	484.577	6.013	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3cccc(Cl)c3)sc2c1	ZINC000009007539	554860649	/nfs/dbraw/zinc/86/06/49/554860649.db2.gz	OARUHYCSIWXUBA-OAQYLSRUSA-N	-1	3	460.942	6.041	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3cccc(Cl)c3)sc2c1	ZINC000009007540	554860681	/nfs/dbraw/zinc/86/06/81/554860681.db2.gz	OARUHYCSIWXUBA-NRFANRHFSA-N	-1	3	460.942	6.041	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000009007830	554861157	/nfs/dbraw/zinc/86/11/57/554861157.db2.gz	SGXASFLAEMHQRY-JOCHJYFZSA-N	-1	3	474.513	5.535	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000009007868	554861613	/nfs/dbraw/zinc/86/16/13/554861613.db2.gz	CQRCMEXGGVGVTJ-QFIPXVFZSA-N	-1	3	490.968	6.050	50	30		JKEAHM
Cc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009270373	555044531	/nfs/dbraw/zinc/04/45/31/555044531.db2.gz	RRWPYGGXERCUTL-QHCPKHFHSA-N	-1	3	472.541	6.144	50	30		JKEAHM
N#Cc1c([N-]C(=O)c2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)s2)sc2c1CCCC2	ZINC000009368789	555131925	/nfs/dbraw/zinc/13/19/25/555131925.db2.gz	VISAFIYFVQHFIW-UHFFFAOYSA-N	-1	3	492.651	5.877	50	30		JKEAHM
COc1ccc(OC)c([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)c1	ZINC000009373897	555135704	/nfs/dbraw/zinc/13/57/04/555135704.db2.gz	NXCMJPMEQWCTLR-QHCPKHFHSA-N	-1	3	463.917	5.449	50	30		JKEAHM
Cc1c(C#N)c([N-]C(=O)c2cc(Cl)sc2Cl)sc1Cc1ccc2c(c1)OCO2	ZINC000009390678	555151873	/nfs/dbraw/zinc/15/18/73/555151873.db2.gz	IRBUCUKOAFMEJH-UHFFFAOYSA-N	-1	3	451.356	5.868	50	30		JKEAHM
Cc1cccc(N2C(=O)/C(=C3/Sc4ccc(Cl)cc4N3C)S/C2=N\c2cccc([O-])c2)c1	ZINC000013286117	555371709	/nfs/dbraw/zinc/37/17/09/555371709.db2.gz	UJRHPAQYZLDHFX-NPGCFZLRSA-N	-1	3	480.014	6.533	50	30		JKEAHM
O=C1c2ccc([O-])c(CN3CCCCCC3)c2O/C1=C\c1cc2cc(Br)ccc2o1	ZINC000009575758	555371962	/nfs/dbraw/zinc/37/19/62/555371962.db2.gz	HXIQKJNOMGJPSZ-XKZIYDEJSA-N	-1	3	468.347	5.893	50	30		JKEAHM
[O-]c1ccc(Br)cc1/C=N/c1c(-c2ccc(Cl)cc2Cl)nc2ccccn21	ZINC000013286500	555372439	/nfs/dbraw/zinc/37/24/39/555372439.db2.gz	ACWZKDIYSHTTPV-BHGWPJFGSA-N	-1	3	461.146	6.527	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccccc3)sc2c1	ZINC000013553133	555493246	/nfs/dbraw/zinc/49/32/46/555493246.db2.gz	DHUPQXIDKSOEHV-HSZRJFAPSA-N	-1	3	454.551	5.950	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccccc3)sc2c1	ZINC000013553133	555493247	/nfs/dbraw/zinc/49/32/47/555493247.db2.gz	DHUPQXIDKSOEHV-HSZRJFAPSA-N	-1	3	454.551	5.950	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccccc3OC)sc2c1	ZINC000013570195	555508296	/nfs/dbraw/zinc/50/82/96/555508296.db2.gz	CXBNXTDHZAYIHO-QHCPKHFHSA-N	-1	3	470.550	5.650	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccs2)c1	ZINC000013570691	555509154	/nfs/dbraw/zinc/50/91/54/555509154.db2.gz	QSPGSSOYGRWJRI-NRFANRHFSA-N	-1	3	476.579	5.766	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2OC)c1	ZINC000013571160	555509648	/nfs/dbraw/zinc/50/96/48/555509648.db2.gz	LGZYJYAESPCYRK-HSZRJFAPSA-N	-1	3	486.549	5.405	50	30		JKEAHM
COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Cl)c1[O-]	ZINC000019880986	555526273	/nfs/dbraw/zinc/52/62/73/555526273.db2.gz	KUQWWJYTNKBYGY-BXKMTCNYSA-N	-1	3	481.976	5.367	50	30		JKEAHM
C[C@H]1CCc2c(C#N)c([N-]C(=O)c3cc(-c4cccs4)nc4onc(-c5ccccc5)c43)sc2C1	ZINC000013641411	555547530	/nfs/dbraw/zinc/54/75/30/555547530.db2.gz	VIEYFJYZLGSPQI-HNNXBMFYSA-N	-1	3	496.617	6.929	50	30		JKEAHM
N#Cc1c([N-]C(=O)c2cc(-c3cccs3)nc3onc(-c4ccccc4)c32)sc2c1CCCCC2	ZINC000013641494	555547537	/nfs/dbraw/zinc/54/75/37/555547537.db2.gz	KILHZYUHNICVFV-UHFFFAOYSA-N	-1	3	496.617	7.073	50	30		JKEAHM
Cc1nn(C)c(C)c1-c1ccnc2cc(C(=O)[N-]c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)nn21	ZINC000013644500	555549629	/nfs/dbraw/zinc/54/96/29/555549629.db2.gz	IYWWEURHYWQJNB-MRXNPFEDSA-N	-1	3	487.633	5.083	50	30		JKEAHM
C[C@@H]1CCCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cc4cc(Br)ccc4o2)O3)C1	ZINC000013681772	555575016	/nfs/dbraw/zinc/57/50/16/555575016.db2.gz	QFVXMVUGSDWAHF-KENWVSPPSA-N	-1	3	468.347	5.749	50	30		JKEAHM
O=C(NCc1ccncc1)c1ccc2nc(C=C([O-])c3ccc(C4CCCCC4)cc3)c(=O)[nH]c2c1	ZINC000020156514	555676208	/nfs/dbraw/zinc/67/62/08/555676208.db2.gz	LLGUTSRYXIZZFA-ONUIUJJFSA-N	-1	3	480.568	5.190	50	30		JKEAHM
CCc1cc2c(CSc3nc4c(c(C(F)(F)F)c3C#N)CCCC4)cc(=O)oc2cc1[O-]	ZINC000011865308	555839961	/nfs/dbraw/zinc/83/99/61/555839961.db2.gz	VPIHAYGYGSMIRW-UHFFFAOYSA-N	-1	3	460.477	5.518	50	30		JKEAHM
COc1cc(/C=C/c2cc(-c3cccc(Cl)c3)n3c4ccccc4nc3c2C#N)ccc1[O-]	ZINC000012549558	556029583	/nfs/dbraw/zinc/02/95/83/556029583.db2.gz	IPCDUGRCZNUWGI-PKNBQFBNSA-N	-1	3	451.913	6.564	50	30		JKEAHM
N#Cc1ccccc1NC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1N1CCCC1	ZINC000012624112	556092330	/nfs/dbraw/zinc/09/23/30/556092330.db2.gz	LOBDZVOVVMSTBU-UHFFFAOYSA-N	-1	3	495.992	5.257	50	30		JKEAHM
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@@]2(O)C/N=C/c1cc(Br)ccc1[O-]	ZINC000012661703	556101327	/nfs/dbraw/zinc/10/13/27/556101327.db2.gz	NLXAIRBLZJOAOY-INDMYLEISA-N	-1	3	488.510	6.738	50	30	biogenic	JKEAHM
O=C1C=CC(=[NH+][N-]c2cccc(Cl)c2)C=C1C=Nc1ccc([O-])c(-c2nc3ccccc3s2)c1	ZINC000027475248	556280142	/nfs/dbraw/zinc/28/01/42/556280142.db2.gz	VOLGEQJJVQYMAL-PDUDLSLDSA-N	-1	3	484.968	8.194	50	30		JKEAHM
O=C(Nc1ccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2[O-])cc1)c1cccc(Cl)c1	ZINC000027519650	556283093	/nfs/dbraw/zinc/28/30/93/556283093.db2.gz	RIHZPHCHXLXOGU-OCSSWDANSA-N	-1	3	475.375	7.293	50	30		JKEAHM
CCCCC1CCC(c2nc(C#N)c(N=NCc3cc(Br)c([O-])c(OC)c3)o2)CC1	ZINC000027562606	556297229	/nfs/dbraw/zinc/29/72/29/556297229.db2.gz	ZNRVAGIYWAMRFW-DHRITJCHSA-N	-1	3	475.387	5.933	50	30		JKEAHM
O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3cccs3)C1)[C@@H]2c1cccc([N+](=O)[O-])c1	ZINC000018196881	556303413	/nfs/dbraw/zinc/30/34/13/556303413.db2.gz	GKYMQVJNQJBIRN-AOMKIAJQSA-N	-1	3	484.537	5.094	50	30		JKEAHM
O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)C[C@H](c3cccs3)C1)[C@H]2c1cccc(F)c1	ZINC000018200569	556308257	/nfs/dbraw/zinc/30/82/57/556308257.db2.gz	UWMAJMRYCMSLOD-OPAMFIHVSA-N	-1	3	457.530	5.324	50	30		JKEAHM
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH][n-]c(=O)c2[C@@H]3c2ccc(C(F)(F)F)cc2)cc1OC	ZINC000018200590	556308303	/nfs/dbraw/zinc/30/83/03/556308303.db2.gz	DVNWJSJAKRHOGN-VBKZILBWSA-N	-1	3	485.462	5.110	50	30		JKEAHM
O=C1[N-]/C(=N\N=C\c2ccccc2C(F)(F)F)S[C@H]1Cc1ccc(SC(F)F)cc1	ZINC000018209113	556310238	/nfs/dbraw/zinc/31/02/38/556310238.db2.gz	ONGRCSTYJSDDJW-IDDUFPAYSA-N	-1	3	459.465	5.184	50	30		JKEAHM
COc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1[O-]	ZINC000019638647	556359058	/nfs/dbraw/zinc/35/90/58/556359058.db2.gz	KZYMTJLJRLRFOP-OAQYLSRUSA-N	-1	3	459.970	5.144	50	30		JKEAHM
CCOc1cc(/C=C2/S/C(=N/c3ccccc3)N(CC)C2=O)cc(I)c1[O-]	ZINC000008451998	569590928	/nfs/dbraw/zinc/59/09/28/569590928.db2.gz	PJQSCFLLRCZOPU-LBCNESNHSA-N	-1	3	494.354	5.019	50	30		JKEAHM
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@]2(O)C/N=C/c1cc(Br)ccc1[O-]	ZINC000035361872	569682298	/nfs/dbraw/zinc/68/22/98/569682298.db2.gz	NLXAIRBLZJOAOY-RQPBWBQDSA-N	-1	3	488.510	6.738	50	30	biogenic	JKEAHM
Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C([O-])=C3ON2c2ccccc2C)cc1	ZINC000090443188	569720779	/nfs/dbraw/zinc/72/07/79/569720779.db2.gz	TWFMEZWEOBBCSZ-GVAUOCQISA-N	-1	3	483.593	5.167	50	30		JKEAHM
C=C(C)COc1ccc([C@@H]2CC(=O)Oc3ccc4c(occ(-c5ccc([O-])cc5)c4=O)c32)cc1OC	ZINC000096221839	569739221	/nfs/dbraw/zinc/73/92/21/569739221.db2.gz	LYUIAMVMYYRAIT-NRFANRHFSA-N	-1	3	484.504	5.570	50	30	biogenic	JKEAHM
C=C(C)COc1cc([C@H]2CC(=O)Oc3ccc4c(occ(-c5ccc([O-])cc5)c4=O)c32)ccc1OC	ZINC000096221799	569739329	/nfs/dbraw/zinc/73/93/29/569739329.db2.gz	YMSHAWMDBIAYCP-OAQYLSRUSA-N	-1	3	484.504	5.570	50	30	biogenic	JKEAHM
CCCCCCCCCCOc1ccc(/C=N/c2ccc(C(=O)OC[C@H](C)CC)cc2)c([O-])c1	ZINC000097997762	569749010	/nfs/dbraw/zinc/74/90/10/569749010.db2.gz	FFKHLFDVZSDTGX-ZVZNOJEUSA-N	-1	3	467.650	7.865	50	30	biogenic	JKEAHM
CCCCCCCCCCOc1ccc(/C=N/c2ccc(C(=O)OC[C@@H](C)CC)cc2)c([O-])c1	ZINC000097997761	569749063	/nfs/dbraw/zinc/74/90/63/569749063.db2.gz	FFKHLFDVZSDTGX-DPBBQRGUSA-N	-1	3	467.650	7.865	50	30	biogenic	JKEAHM
CCCCCCCCCCCCCCCCCC1=Nn2c3ccc(S(=O)(=O)[O-])cc3nc2C1	ZINC000098050351	569750117	/nfs/dbraw/zinc/75/01/17/569750117.db2.gz	PPVCZORCMVDSHM-UHFFFAOYSA-N	-1	3	475.699	7.305	50	30		JKEAHM
CC1(C)CC(=O)C(C(c2cc(Br)ccc2[O-])C2C(=O)CC(C)(C)CC2=O)C(=O)C1	ZINC000100003701	569751132	/nfs/dbraw/zinc/75/11/32/569751132.db2.gz	XWVVLNASOXHMDH-IBGZPJMESA-N	-1	3	463.368	5.014	50	30		JKEAHM
CCOc1ccc(N2C(=O)C([O-])=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000100241721	569756193	/nfs/dbraw/zinc/75/61/93/569756193.db2.gz	NCPFROAQCNLQJX-AZYSCILLSA-N	-1	3	459.929	5.921	50	30		JKEAHM
CCOc1ccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000100241721	569756194	/nfs/dbraw/zinc/75/61/94/569756194.db2.gz	NCPFROAQCNLQJX-AZYSCILLSA-N	-1	3	459.929	5.921	50	30		JKEAHM
O=C(Nc1ccccc1)C(N=Nc1ccc(Cl)c(Cl)c1)=N[N-]c1ccc(Cl)c(Cl)c1	ZINC000100391864	569758558	/nfs/dbraw/zinc/75/85/58/569758558.db2.gz	NWBMTQGQGQZCTK-BUHLTSIJSA-N	-1	3	481.170	7.448	50	30		JKEAHM
COc1ccc(OC)c([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)c1	ZINC000100455286	569761558	/nfs/dbraw/zinc/76/15/58/569761558.db2.gz	YXHXUNJHUDXDCQ-AYWGPLOBSA-N	-1	3	463.917	5.292	50	30		JKEAHM
CCOc1cc(Br)cc(/C=N/c2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)c1[O-]	ZINC000100517797	569763326	/nfs/dbraw/zinc/76/33/26/569763326.db2.gz	SNADGDZNWUFUOY-RPPGKUMJSA-N	-1	3	485.765	7.074	50	30		JKEAHM
COc1cc(/C=N/c2ccc([O-])cc2)cc(Br)c1OCc1cccc2ccccc21	ZINC000100544997	569764195	/nfs/dbraw/zinc/76/41/95/569764195.db2.gz	YIZPVZIAIFUQPD-JFLMPSFJSA-N	-1	3	462.343	6.646	50	30		JKEAHM
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cc(Cl)c([O-])c(OC)c1	ZINC000100552821	569764292	/nfs/dbraw/zinc/76/42/92/569764292.db2.gz	MHNRPFLKBAEXEC-XDHUDOTRSA-N	-1	3	481.976	5.369	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@@H]2c1cc(Br)ccc1[O-]	ZINC000100563879	569764749	/nfs/dbraw/zinc/76/47/49/569764749.db2.gz	UDWJDMMLGXFQOR-TZIWHRDSSA-N	-1	3	450.332	5.197	50	30		JKEAHM
CC(N=Nc1nc2ccc(Br)cc2c(-c2ccccc2)n1)c1ccc2ccccc2c1[O-]	ZINC000100814257	569770552	/nfs/dbraw/zinc/77/05/52/569770552.db2.gz	VDEIAJPLCWGWLO-OKCVXOCRSA-N	-1	3	483.369	6.754	50	30		JKEAHM
CCCCCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc21	ZINC000100821954	569771453	/nfs/dbraw/zinc/77/14/53/569771453.db2.gz	QTGZYKSUKREUOP-UHFFFAOYSA-N	-1	3	471.619	6.594	50	30		JKEAHM
CCCCCCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc([O-])cc3)C2=O)cc1	ZINC000100921208	569775893	/nfs/dbraw/zinc/77/58/93/569775893.db2.gz	FSYLTPPHNFQFET-XLNRJJMWSA-N	-1	3	484.643	5.678	50	30		JKEAHM
C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000101287295	569789526	/nfs/dbraw/zinc/78/95/26/569789526.db2.gz	PMVOXODZPGFDFP-SBXHHDGASA-N	-1	3	458.514	5.298	50	30		JKEAHM
C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000101287290	569789551	/nfs/dbraw/zinc/78/95/51/569789551.db2.gz	ZLTWRLKYDFLAHE-IUKMQXEJSA-N	-1	3	454.526	5.396	50	30		JKEAHM
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000101287290	569789552	/nfs/dbraw/zinc/78/95/52/569789552.db2.gz	ZLTWRLKYDFLAHE-IUKMQXEJSA-N	-1	3	454.526	5.396	50	30		JKEAHM
C=CCOc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000101294407	569790089	/nfs/dbraw/zinc/79/00/89/569790089.db2.gz	XLTDOURMIYORER-QKJBWNOYSA-N	-1	3	496.588	6.104	50	30		JKEAHM
C=CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000101294407	569790091	/nfs/dbraw/zinc/79/00/91/569790091.db2.gz	XLTDOURMIYORER-QKJBWNOYSA-N	-1	3	496.588	6.104	50	30		JKEAHM
CC(=O)Nc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000101503813	569800977	/nfs/dbraw/zinc/80/09/77/569800977.db2.gz	LPRWLSDBUZYOJF-HOGKFDNTSA-N	-1	3	491.341	5.034	50	30		JKEAHM
COc1cc(-c2nc3cc(C)ccn3c2/N=C/c2cc3c(cc2Br)OCO3)ccc1[O-]	ZINC000102133642	569810091	/nfs/dbraw/zinc/81/00/91/569810091.db2.gz	NGIOLKGVWIXFFQ-OPEKNORGSA-N	-1	3	480.318	5.266	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@H]2c1cccc(Oc2ccccc2)c1	ZINC000102449818	569813187	/nfs/dbraw/zinc/81/31/87/569813187.db2.gz	QUTCSFQQCFJICS-VWLOTQADSA-N	-1	3	477.564	6.159	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000102587839	569814447	/nfs/dbraw/zinc/81/44/47/569814447.db2.gz	DGASSVXFEIXGLT-AYWGPLOBSA-N	-1	3	463.917	5.374	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccco2)cc1C	ZINC000102733348	569818467	/nfs/dbraw/zinc/81/84/67/569818467.db2.gz	UNWBDBVTULTHIQ-MRJHHRETSA-N	-1	3	460.511	5.141	50	30		JKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)sc1C	ZINC000102862874	569825248	/nfs/dbraw/zinc/82/52/48/569825248.db2.gz	PTGCKALANXVKIV-MOBKVPTQSA-N	-1	3	460.599	5.992	50	30		JKEAHM
Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)sc1C	ZINC000102862874	569825249	/nfs/dbraw/zinc/82/52/49/569825249.db2.gz	PTGCKALANXVKIV-MOBKVPTQSA-N	-1	3	460.599	5.992	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(C(C)C)cc3)nc2c(C)c1	ZINC000102875758	569826317	/nfs/dbraw/zinc/82/63/17/569826317.db2.gz	UARDNDZLFCPMNF-COUQNMRISA-N	-1	3	488.634	6.724	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(C(C)C)cc3)nc2c(C)c1	ZINC000102875758	569826319	/nfs/dbraw/zinc/82/63/19/569826319.db2.gz	UARDNDZLFCPMNF-COUQNMRISA-N	-1	3	488.634	6.724	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(C(C)C)cc3)nc2c(C)c1	ZINC000102875760	569826491	/nfs/dbraw/zinc/82/64/91/569826491.db2.gz	UARDNDZLFCPMNF-BUANBSPESA-N	-1	3	488.634	6.724	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(C(C)C)cc3)nc2c(C)c1	ZINC000102875760	569826492	/nfs/dbraw/zinc/82/64/92/569826492.db2.gz	UARDNDZLFCPMNF-BUANBSPESA-N	-1	3	488.634	6.724	50	30		JKEAHM
CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)nc1C	ZINC000102928788	569827299	/nfs/dbraw/zinc/82/72/99/569827299.db2.gz	JVEONSGGJLWZER-JBCNATCCSA-N	-1	3	490.581	5.378	50	30		JKEAHM
Cc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102929168	569827487	/nfs/dbraw/zinc/82/74/87/569827487.db2.gz	XQQKQUCYVJVOKU-OBVHCKHUSA-N	-1	3	460.580	5.909	50	30		JKEAHM
Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102929168	569827489	/nfs/dbraw/zinc/82/74/89/569827489.db2.gz	XQQKQUCYVJVOKU-OBVHCKHUSA-N	-1	3	460.580	5.909	50	30		JKEAHM
COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102930144	569828073	/nfs/dbraw/zinc/82/80/73/569828073.db2.gz	VIFQCDUVERJQKB-COUQNMRISA-N	-1	3	498.560	5.326	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccccc3OC)sc2c1	ZINC000102932219	569828850	/nfs/dbraw/zinc/82/88/50/569828850.db2.gz	BWBQAFRJLJEDDB-ZHHPLPSFSA-N	-1	3	486.549	5.248	50	30		JKEAHM
[O-]c1ccc2ccccc2c1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccccc1Cc1ccccc1	ZINC000103781749	569838096	/nfs/dbraw/zinc/83/80/96/569838096.db2.gz	HONQIVOTEHMXAO-JEPNHJGPSA-N	-1	3	497.516	8.698	50	30		JKEAHM
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@@]2(O)C/N=C/c1cc(Br)ccc1[O-]	ZINC000118918871	569863510	/nfs/dbraw/zinc/86/35/10/569863510.db2.gz	NLXAIRBLZJOAOY-OICMJDJZSA-N	-1	3	488.510	6.738	50	30	biogenic	JKEAHM
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC[C@@H]2/N=C/c1cc(Br)ccc1[O-]	ZINC000118918977	569863571	/nfs/dbraw/zinc/86/35/71/569863571.db2.gz	HRXCHYCHNSDAKH-PWIXZNFVSA-N	-1	3	458.484	7.375	50	30	biogenic	JKEAHM
O=C([N-]c1nc2ccccc2n1Cc1ccccc1)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F	ZINC000135784271	569864458	/nfs/dbraw/zinc/86/44/58/569864458.db2.gz	UMCMVWXLWKKKBL-IBGZPJMESA-N	-1	3	497.317	5.218	50	30		JKEAHM
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C([O-])=C3ON2c2ccccc2C)cc1	ZINC000169688918	569871371	/nfs/dbraw/zinc/87/13/71/569871371.db2.gz	TWFMEZWEOBBCSZ-UBFVSLLYSA-N	-1	3	483.593	5.167	50	30		JKEAHM
COc1cc(Cl)cc(C=Nc2ccc3oc(-c4ccc(C)c(Br)c4)nc3c2)c1[O-]	ZINC000252590328	570084056	/nfs/dbraw/zinc/08/40/56/570084056.db2.gz	ARNKAIMCSMKGMR-UHFFFAOYSA-N	-1	3	471.738	6.684	50	30		JKEAHM
Cn1c2cc(Br)ccc2nc1N=Cc1c([O-])ccc2cc(Br)ccc21	ZINC000252598069	570084763	/nfs/dbraw/zinc/08/47/63/570084763.db2.gz	CXUHQZHZXRZGGO-UHFFFAOYSA-N	-1	3	459.141	5.708	50	30		JKEAHM
CCOc1cc(/C=C2/SC(=Nc3ccc(Cl)cc3)N(C)C2=O)cc(Br)c1[O-]	ZINC000252606644	570085676	/nfs/dbraw/zinc/08/56/76/570085676.db2.gz	GTYUYRGLSYTSDA-BTWTVLLVSA-N	-1	3	467.772	5.441	50	30		JKEAHM
COc1cc(Br)cc(C=Nc2cc(-c3nc4ccccc4o3)ccc2OC)c1[O-]	ZINC000252612901	570086221	/nfs/dbraw/zinc/08/62/21/570086221.db2.gz	IWVZPBHTBPZUTL-UHFFFAOYSA-N	-1	3	453.292	5.731	50	30		JKEAHM
COc1cc(Br)cc(C=Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)c1[O-]	ZINC000252617341	570086744	/nfs/dbraw/zinc/08/67/44/570086744.db2.gz	KQVGIVGLGSGLKB-UHFFFAOYSA-N	-1	3	451.320	6.339	50	30		JKEAHM
COc1ccc(Nc2nc(N=NCc3cc(Cl)ccc3[O-])nc(Nc3ccccc3)n2)cc1	ZINC000252617276	570086753	/nfs/dbraw/zinc/08/67/53/570086753.db2.gz	KPOUHQFJDIFEDM-UHFFFAOYSA-N	-1	3	461.913	5.172	50	30		JKEAHM
COc1cc(/C=C2/SC(=Nc3cccc(C)c3C)N(c3cccc(C)c3C)C2=O)cc(Cl)c1[O-]	ZINC000252623401	570087811	/nfs/dbraw/zinc/08/78/11/570087811.db2.gz	OQJJVIOVWVAPAB-VKBWTJMNSA-N	-1	3	493.028	7.096	50	30		JKEAHM
CC(C)(C)c1ccc([O-])c(N=Cc2ccc(OC(=O)c3cccc(Br)c3)cc2)c1	ZINC000252624969	570088184	/nfs/dbraw/zinc/08/81/84/570088184.db2.gz	PZPWLSSLKPAESY-UHFFFAOYSA-N	-1	3	452.348	6.422	50	30		JKEAHM
CCOc1cc(-c2nc3ccccn3c2N=Cc2ccc(-c3ccc(Cl)cc3)o2)ccc1[O-]	ZINC000252628526	570088909	/nfs/dbraw/zinc/08/89/09/570088909.db2.gz	SSFFGQBLZKDCRH-UHFFFAOYSA-N	-1	3	457.917	6.770	50	30		JKEAHM
CCOc1cc(/C=C2\SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc(Cl)c1[O-]	ZINC000252628797	570088950	/nfs/dbraw/zinc/08/89/50/570088950.db2.gz	SYAZJZLVXLBFGS-KAJIUBQISA-N	-1	3	479.001	6.870	50	30		JKEAHM
CC(C)(C)c1ccc(-c2nc3cc(N=Cc4cc(Br)c([O-])cc4O)ccc3o2)cc1	ZINC000252629988	570089240	/nfs/dbraw/zinc/08/92/40/570089240.db2.gz	URVMFFHNYCIWSP-UHFFFAOYSA-N	-1	3	465.347	6.717	50	30		JKEAHM
CCOc1ccc(N=C2S/C(=C/c3ccc([O-])c(I)c3)C(=O)N2CC)cc1	ZINC000252634197	570089742	/nfs/dbraw/zinc/08/97/42/570089742.db2.gz	WKYJRAZPLQQJQD-FNLGWUMESA-N	-1	3	494.354	5.019	50	30		JKEAHM
O=C(CSc1nc2ccc(N=Cc3c([O-])ccc4ccccc43)cc2s1)Nc1ccccc1	ZINC000252638731	570090241	/nfs/dbraw/zinc/09/02/41/570090241.db2.gz	YFCSLUZFICYFTP-UHFFFAOYSA-N	-1	3	469.591	6.637	50	30		JKEAHM
C=CCc1cccc(C=NNc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1[O-]	ZINC000252638399	570090270	/nfs/dbraw/zinc/09/02/70/570090270.db2.gz	YCARQPJYGJJOQC-UHFFFAOYSA-N	-1	3	482.359	5.559	50	30		JKEAHM
[O-]c1ccccc1-c1cc(-c2ccccc2)nc(N=NCc2c(F)c(F)c(F)c(F)c2F)n1	ZINC000252641541	570090401	/nfs/dbraw/zinc/09/04/01/570090401.db2.gz	ZEOUAURJEJLRIC-UHFFFAOYSA-N	-1	3	456.374	5.658	50	30		JKEAHM
COc1cc(/C=C2/SC(=Nc3ccc(Cl)cc3)N(C)C2=O)cc(Br)c1[O-]	ZINC000252641577	570090490	/nfs/dbraw/zinc/09/04/90/570090490.db2.gz	ZFDGPFAOCUJQBX-AZCZGVSUSA-N	-1	3	453.745	5.051	50	30		JKEAHM
[O-]N=C(C(=NO)c1ccccc1OCc1ccccc1)c1ccccc1OCc1ccccc1	ZINC000252643336	570090642	/nfs/dbraw/zinc/09/06/42/570090642.db2.gz	ZUIVXNNHMTVQMC-UHFFFAOYSA-N	-1	3	452.510	5.901	50	30		JKEAHM
N#Cc1c([N-]C(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)(F)F)sc2c1CCC2	ZINC000001058459	194011818	/nfs/dbraw/zinc/01/18/18/194011818.db2.gz	RXYUJGZBERCIFR-UHFFFAOYSA-N	-1	3	453.449	5.089	50	30		JKEAHM
O=C1CCCC2=C1C(c1ccc([O-])c(Br)c1)C1=C(CCCC1=O)N2c1ccccc1	ZINC000001134192	194040994	/nfs/dbraw/zinc/04/09/94/194040994.db2.gz	WYYRSVLMNFELDT-UHFFFAOYSA-N	-1	3	464.359	5.773	50	30		JKEAHM
CCOC(=O)c1sc([N-]C(=O)c2ccc(-c3ccc(Br)cc3)o2)c(C#N)c1C	ZINC000001156403	194052695	/nfs/dbraw/zinc/05/26/95/194052695.db2.gz	RLKLYFMIOQBJNJ-UHFFFAOYSA-N	-1	3	459.321	5.380	50	30		JKEAHM
CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Br)c([O-])c(OC)c1	ZINC000002796106	194165617	/nfs/dbraw/zinc/16/56/17/194165617.db2.gz	FIFXTWPTQRXQQP-HXUWFJFHSA-N	-1	3	492.410	5.111	50	30		JKEAHM
Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc3ccc(/N=C/c4ccccc4[O-])cc3s2)c(C)c1	ZINC000003095135	194225136	/nfs/dbraw/zinc/22/51/36/194225136.db2.gz	HUWKCGMEFKBWSA-BLNASNEQSA-N	-1	3	475.639	6.797	50	30		JKEAHM
Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc3ccc(/N=C/c4ccccc4[O-])cc3s2)c(C)c1	ZINC000003095137	194225420	/nfs/dbraw/zinc/22/54/20/194225420.db2.gz	HUWKCGMEFKBWSA-JYSLEBDSSA-N	-1	3	475.639	6.797	50	30		JKEAHM
[O-]c1ccc(Br)cc1/C=N/c1ccc2nc(-c3cccc(Br)c3)oc2c1	ZINC000003102954	194225870	/nfs/dbraw/zinc/22/58/70/194225870.db2.gz	FDBPVVLFMOZRSM-FOKLQQMPSA-N	-1	3	472.136	6.476	50	30		JKEAHM
CCc1c(C)sc([N-]C(=O)c2cc3nc(-c4ccc(C)cc4)cc(C(F)(F)F)n3n2)c1C#N	ZINC000003629493	194343867	/nfs/dbraw/zinc/34/38/67/194343867.db2.gz	DQQIPPBDSHCTEP-UHFFFAOYSA-N	-1	3	469.492	5.780	50	30		JKEAHM
O=C1CCCC2=C1[C@@H](c1cc(-c3ccccc3)c([O-])c(-c3ccccc3)c1)Nc1ccc3ccccc3c12	ZINC000003633845	194345184	/nfs/dbraw/zinc/34/51/84/194345184.db2.gz	OWENRACXZWBRER-UUWRZZSWSA-N	-1	3	493.606	8.553	50	30		JKEAHM
CC(=O)c1cccc(N=C2S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccc([O-])cc2)c1	ZINC000004109164	194378614	/nfs/dbraw/zinc/37/86/14/194378614.db2.gz	YIOPHVZJSIOPAU-SLJQUXCSSA-N	-1	3	473.579	5.774	50	30		JKEAHM
Cc1cccc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(Cl)cc3)nc21	ZINC000012634228	195065846	/nfs/dbraw/zinc/06/58/46/195065846.db2.gz	KBKPGUGRKZPKJJ-NRFANRHFSA-N	-1	3	460.942	6.041	50	30		JKEAHM
Cc1cccc(C(C)C)c1NC(=O)C(=O)C(=C([O-])C=Cc1ccccc1)[C@H]1OC(=O)c2ccccc21	ZINC000102299960	130118777	/nfs/dbraw/zinc/11/87/77/130118777.db2.gz	PFTXEIWGBUZSCG-VRCNQZMNSA-N	-1	3	481.548	5.436	50	30		JKEAHM
Cc1cccc(C(C)C)c1NC(=O)C(=O)C(=C([O-])C=Cc1ccccc1)[C@H]1OC(=O)c2ccccc21	ZINC000102299957	130118809	/nfs/dbraw/zinc/11/88/09/130118809.db2.gz	PFTXEIWGBUZSCG-JIFMGABTSA-N	-1	3	481.548	5.436	50	30		JKEAHM
O=C(C=Cc1ccccc1)C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1	ZINC000102483899	130137445	/nfs/dbraw/zinc/13/74/45/130137445.db2.gz	RRLJZVLUYBNDGA-NDNCKPOYSA-N	-1	3	467.418	6.027	50	30		JKEAHM
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)C1=C([O-])C=Cc1ccccc1	ZINC000102483899	130137448	/nfs/dbraw/zinc/13/74/48/130137448.db2.gz	RRLJZVLUYBNDGA-NDNCKPOYSA-N	-1	3	467.418	6.027	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2)cc1	ZINC000102490086	130143919	/nfs/dbraw/zinc/14/39/19/130143919.db2.gz	YAAAJCVYGKUIJT-AYWGPLOBSA-N	-1	3	470.550	5.630	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccccc2Cl)cc1	ZINC000102492333	130146567	/nfs/dbraw/zinc/14/65/67/130146567.db2.gz	UYVZLTUJEGEYBB-MRJHHRETSA-N	-1	3	460.942	5.884	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccccc2Cl)cc1	ZINC000102492347	130146638	/nfs/dbraw/zinc/14/66/38/130146638.db2.gz	UYVZLTUJEGEYBB-JBCNATCCSA-N	-1	3	460.942	5.884	50	30		JKEAHM
COc1ccccc1[C@@H]1C(=C([O-])c2ccc(C)cc2)C(=O)C(=O)N1c1nc2ccccc2s1	ZINC000102500541	130154586	/nfs/dbraw/zinc/15/45/86/130154586.db2.gz	BDUIQGQFZAONFQ-HOGKFDNTSA-N	-1	3	456.523	5.240	50	30		JKEAHM
COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)cc2)=C([O-])C(=O)N1c1nc2ccccc2s1	ZINC000102500541	130154588	/nfs/dbraw/zinc/15/45/88/130154588.db2.gz	BDUIQGQFZAONFQ-HOGKFDNTSA-N	-1	3	456.523	5.240	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102504471	130158621	/nfs/dbraw/zinc/15/86/21/130158621.db2.gz	JMTRQTXSYVRPGQ-HOGKFDNTSA-N	-1	3	485.521	5.448	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000102507657	130162135	/nfs/dbraw/zinc/16/21/35/130162135.db2.gz	HQLIABGYUMNZAH-ZHHPLPSFSA-N	-1	3	454.551	5.848	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000102507657	130162140	/nfs/dbraw/zinc/16/21/40/130162140.db2.gz	HQLIABGYUMNZAH-ZHHPLPSFSA-N	-1	3	454.551	5.848	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102508163	130162585	/nfs/dbraw/zinc/16/25/85/130162585.db2.gz	LREIKPQMWGBXQI-NXLSWJSLSA-N	-1	3	486.568	6.494	50	30		JKEAHM
COc1cccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1	ZINC000102509513	130163320	/nfs/dbraw/zinc/16/33/20/130163320.db2.gz	JZRMJIDXWHWRGC-COUQNMRISA-N	-1	3	488.540	5.687	50	30		JKEAHM
Cc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102509932	130164005	/nfs/dbraw/zinc/16/40/05/130164005.db2.gz	KZKKAQWAZXOGCZ-HOGKFDNTSA-N	-1	3	474.969	6.193	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102510202	130164574	/nfs/dbraw/zinc/16/45/74/130164574.db2.gz	FQHNOQHSJFMXDU-UVDRRRQGSA-N	-1	3	484.577	5.856	50	30		JKEAHM
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102510202	130164576	/nfs/dbraw/zinc/16/45/76/130164576.db2.gz	FQHNOQHSJFMXDU-UVDRRRQGSA-N	-1	3	484.577	5.856	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C)cc2)o1	ZINC000102515409	130168674	/nfs/dbraw/zinc/16/86/74/130168674.db2.gz	DWDLLROLBCRAQP-HFEWCJDKSA-N	-1	3	458.539	5.749	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000102519550	130172325	/nfs/dbraw/zinc/17/23/25/130172325.db2.gz	VZWPQAYMPYAWMB-UVDRRRQGSA-N	-1	3	484.577	5.856	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000102519550	130172327	/nfs/dbraw/zinc/17/23/27/130172327.db2.gz	VZWPQAYMPYAWMB-UVDRRRQGSA-N	-1	3	484.577	5.856	50	30		JKEAHM
Cc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102520961	130173548	/nfs/dbraw/zinc/17/35/48/130173548.db2.gz	WXGPYZOJSQLIKS-BUANBSPESA-N	-1	3	454.551	5.848	50	30		JKEAHM
Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102520961	130173550	/nfs/dbraw/zinc/17/35/50/130173550.db2.gz	WXGPYZOJSQLIKS-BUANBSPESA-N	-1	3	454.551	5.848	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccc(C(C)C)cc3)nc2c(C)c1	ZINC000102522567	130174912	/nfs/dbraw/zinc/17/49/12/130174912.db2.gz	HKWOZFPXMZSARL-COUQNMRISA-N	-1	3	472.566	6.256	50	30		JKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2cccc(Oc3ccccc3)c2)no1	ZINC000102528580	130181383	/nfs/dbraw/zinc/18/13/83/130181383.db2.gz	WIBNXVLKGMDJKY-IUKMQXEJSA-N	-1	3	466.493	5.710	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1Cl	ZINC000102534241	130188490	/nfs/dbraw/zinc/18/84/90/130188490.db2.gz	VWNVOKUQZOBYOV-AYWGPLOBSA-N	-1	3	462.933	5.493	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000102536812	130191680	/nfs/dbraw/zinc/19/16/80/130191680.db2.gz	WZSXKMCLCCLHKM-JBCNATCCSA-N	-1	3	460.942	5.884	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1Cl	ZINC000102540198	130195140	/nfs/dbraw/zinc/19/51/40/130195140.db2.gz	MDFVHBLWZSHTTA-AYWGPLOBSA-N	-1	3	476.960	5.667	50	30		JKEAHM
COc1ccccc1[C@H]1C(=C([O-])c2ccccc2)C(=O)C(=O)N1c1nc2ccc(C)cc2s1	ZINC000102540331	130195544	/nfs/dbraw/zinc/19/55/44/130195544.db2.gz	SMEGWQWYTGSDNA-MOBKVPTQSA-N	-1	3	456.523	5.240	50	30		JKEAHM
COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1c1nc2ccc(C)cc2s1	ZINC000102540331	130195546	/nfs/dbraw/zinc/19/55/46/130195546.db2.gz	SMEGWQWYTGSDNA-MOBKVPTQSA-N	-1	3	456.523	5.240	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102541541	130197398	/nfs/dbraw/zinc/19/73/98/130197398.db2.gz	VEHVHBHLPPBNKA-ZHHPLPSFSA-N	-1	3	490.625	6.082	50	30		JKEAHM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102541541	130197400	/nfs/dbraw/zinc/19/74/00/130197400.db2.gz	VEHVHBHLPPBNKA-ZHHPLPSFSA-N	-1	3	490.625	6.082	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102542238	130198233	/nfs/dbraw/zinc/19/82/33/130198233.db2.gz	KHVWZZWBAKUMED-HOGKFDNTSA-N	-1	3	485.521	5.448	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(I)cc3)[C@H]2c2ccccc2)cc1	ZINC000102575724	130215171	/nfs/dbraw/zinc/21/51/71/130215171.db2.gz	CUPJBVFZVXTRFA-MRJHHRETSA-N	-1	3	495.316	5.226	50	30		JKEAHM
O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccc(Cl)cc2Cl)C1=C([O-])c1cccc([N+](=O)[O-])c1	ZINC000102597086	130219596	/nfs/dbraw/zinc/21/95/96/130219596.db2.gz	WRANLXDVRILPNE-WOOAAIBNSA-N	-1	3	473.268	5.117	50	30		JKEAHM
O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000102597086	130219598	/nfs/dbraw/zinc/21/95/98/130219598.db2.gz	WRANLXDVRILPNE-WOOAAIBNSA-N	-1	3	473.268	5.117	50	30		JKEAHM
O=C1C(=O)N(Cc2ccco2)[C@H](c2ccc(Cl)cc2Cl)C1=C([O-])c1cccc([N+](=O)[O-])c1	ZINC000102597090	130219662	/nfs/dbraw/zinc/21/96/62/130219662.db2.gz	WRANLXDVRILPNE-LFVOPCPISA-N	-1	3	473.268	5.117	50	30		JKEAHM
O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000102597090	130219665	/nfs/dbraw/zinc/21/96/65/130219665.db2.gz	WRANLXDVRILPNE-LFVOPCPISA-N	-1	3	473.268	5.117	50	30		JKEAHM
CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nccs2)c1	ZINC000102678046	130235982	/nfs/dbraw/zinc/23/59/82/130235982.db2.gz	UTLLKIJOEKLOEC-LEQIOXTRSA-N	-1	3	490.581	5.272	50	30		JKEAHM
CCCOc1cccc([C@H]2C(=C([O-])c3ccc4ccccc4c3)C(=O)C(=O)N2c2cc(C)on2)c1	ZINC000102689871	130237797	/nfs/dbraw/zinc/23/77/97/130237797.db2.gz	TYOVMIHDFASCEZ-IUKMQXEJSA-N	-1	3	468.509	5.551	50	30		JKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000102694598	130241048	/nfs/dbraw/zinc/24/10/48/130241048.db2.gz	DDWJGMCCHVDUMW-MRJHHRETSA-N	-1	3	450.922	5.560	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C)s3)[C@@H]2c2cccc3ccccc32)cc1	ZINC000102717337	130263697	/nfs/dbraw/zinc/26/36/97/130263697.db2.gz	OOWJSWFGRCGYPA-HOGKFDNTSA-N	-1	3	471.538	5.025	50	30		JKEAHM
COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C	ZINC000102725370	130269848	/nfs/dbraw/zinc/26/98/48/130269848.db2.gz	CJRCJZXHDUKGAW-NHFXJNLRSA-N	-1	3	490.581	5.162	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@H]3c3ccccc3)sc2c1	ZINC000102735280	130279747	/nfs/dbraw/zinc/27/97/47/130279747.db2.gz	WUPTWVVBASPRJK-ZHHPLPSFSA-N	-1	3	486.549	5.248	50	30		JKEAHM
Cc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102771006	130295469	/nfs/dbraw/zinc/29/54/69/130295469.db2.gz	ZQYWRMVSXFPHDS-MWCANZRFSA-N	-1	3	496.588	5.863	50	30		JKEAHM
Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102771006	130295470	/nfs/dbraw/zinc/29/54/70/130295470.db2.gz	ZQYWRMVSXFPHDS-MWCANZRFSA-N	-1	3	496.588	5.863	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccnc3)nc2c(C)c1	ZINC000102771494	130296624	/nfs/dbraw/zinc/29/66/24/130296624.db2.gz	QYCZYEHRMLCEJE-OHNLTWMJSA-N	-1	3	497.576	5.258	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3)sc2c1	ZINC000102771395	130296688	/nfs/dbraw/zinc/29/66/88/130296688.db2.gz	VJDAGIGMGJIMDN-RPUIFAKWSA-N	-1	3	482.561	5.554	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3)sc2c1	ZINC000102771395	130296691	/nfs/dbraw/zinc/29/66/91/130296691.db2.gz	VJDAGIGMGJIMDN-RPUIFAKWSA-N	-1	3	482.561	5.554	50	30		JKEAHM
C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccccc3)ccc2O1	ZINC000102771419	130296707	/nfs/dbraw/zinc/29/67/07/130296707.db2.gz	UADQZKWQXMXLLK-DZSUXXLQSA-N	-1	3	486.524	5.385	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3)nc2c(C)c1	ZINC000102771428	130296887	/nfs/dbraw/zinc/29/68/87/130296887.db2.gz	YTJUUZARZNWQBU-HBBVPSITSA-N	-1	3	496.588	5.863	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3)nc2c(C)c1	ZINC000102771428	130296891	/nfs/dbraw/zinc/29/68/91/130296891.db2.gz	YTJUUZARZNWQBU-HBBVPSITSA-N	-1	3	496.588	5.863	50	30		JKEAHM
COc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(Br)cc2)c1	ZINC000102799302	130308005	/nfs/dbraw/zinc/30/80/05/130308005.db2.gz	IIHIALKNSYYHDA-MRJHHRETSA-N	-1	3	464.315	5.084	50	30		JKEAHM
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccccc2[N+](=O)[O-])C1=C([O-])C=Cc1ccccc1	ZINC000102800699	130310087	/nfs/dbraw/zinc/31/00/87/130310087.db2.gz	UQKVLNBJRDQFOY-XRNAITRYSA-N	-1	3	494.425	5.796	50	30		JKEAHM
O=C(C=Cc1ccccc1)C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000102800699	130310090	/nfs/dbraw/zinc/31/00/90/130310090.db2.gz	UQKVLNBJRDQFOY-XRNAITRYSA-N	-1	3	494.425	5.796	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102861965	130332659	/nfs/dbraw/zinc/33/26/59/130332659.db2.gz	OYHKVWLUUCCOJV-NPJIAGGLSA-N	-1	3	498.604	6.363	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102861965	130332665	/nfs/dbraw/zinc/33/26/65/130332665.db2.gz	OYHKVWLUUCCOJV-NPJIAGGLSA-N	-1	3	498.604	6.363	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102861963	130332689	/nfs/dbraw/zinc/33/26/89/130332689.db2.gz	OYHKVWLUUCCOJV-IUKMQXEJSA-N	-1	3	498.604	6.363	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102861963	130332694	/nfs/dbraw/zinc/33/26/94/130332694.db2.gz	OYHKVWLUUCCOJV-IUKMQXEJSA-N	-1	3	498.604	6.363	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(C)cc3)sc2c1	ZINC000102862261	130333853	/nfs/dbraw/zinc/33/38/53/130333853.db2.gz	UOGNYWGOGLQJFA-NHFXJNLRSA-N	-1	3	462.552	5.301	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000102862281	130334413	/nfs/dbraw/zinc/33/44/13/130334413.db2.gz	OXVPNGMYJTVOGP-SBXHHDGASA-N	-1	3	482.605	6.529	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000102862281	130334415	/nfs/dbraw/zinc/33/44/15/130334415.db2.gz	OXVPNGMYJTVOGP-SBXHHDGASA-N	-1	3	482.605	6.529	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000102873525	130344719	/nfs/dbraw/zinc/34/47/19/130344719.db2.gz	UGUCJSCFQKVQNC-COUQNMRISA-N	-1	3	488.996	6.501	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000102873523	130344882	/nfs/dbraw/zinc/34/48/82/130344882.db2.gz	UGUCJSCFQKVQNC-BUANBSPESA-N	-1	3	488.996	6.501	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(F)cc3)nc2c(C)c1	ZINC000102875535	130347580	/nfs/dbraw/zinc/34/75/80/130347580.db2.gz	XJUWHFZECYYGEB-HFEWCJDKSA-N	-1	3	458.514	5.679	50	30		JKEAHM
COc1ccc(OC)c([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)c1	ZINC000102875407	130347639	/nfs/dbraw/zinc/34/76/39/130347639.db2.gz	CIRPDDVQNWTLGT-AYWGPLOBSA-N	-1	3	486.549	5.248	50	30		JKEAHM
COc1cccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1OC	ZINC000102877322	130350578	/nfs/dbraw/zinc/35/05/78/130350578.db2.gz	SUNXTWLPZNCVAP-NHFXJNLRSA-N	-1	3	492.578	5.310	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102880157	130355663	/nfs/dbraw/zinc/35/56/63/130355663.db2.gz	UQACDYIHDLLJON-HOGKFDNTSA-N	-1	3	462.571	5.518	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102880157	130355669	/nfs/dbraw/zinc/35/56/69/130355669.db2.gz	UQACDYIHDLLJON-HOGKFDNTSA-N	-1	3	462.571	5.518	50	30		JKEAHM
CCOc1ccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102880513	130356267	/nfs/dbraw/zinc/35/62/67/130356267.db2.gz	MZCCXYBPRCAQGS-BUANBSPESA-N	-1	3	488.565	5.840	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(F)c2)cc1	ZINC000102883019	130362761	/nfs/dbraw/zinc/36/27/61/130362761.db2.gz	GBZSCGWNGTYBAZ-COUQNMRISA-N	-1	3	488.540	5.687	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102884141	130365044	/nfs/dbraw/zinc/36/50/44/130365044.db2.gz	VMWGITFZTRXDSC-NPJIAGGLSA-N	-1	3	482.605	6.663	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102884141	130365047	/nfs/dbraw/zinc/36/50/47/130365047.db2.gz	VMWGITFZTRXDSC-NPJIAGGLSA-N	-1	3	482.605	6.663	50	30		JKEAHM
N#Cc1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccc(Cl)cc1)[C@H]3c1ccccc1)CCCC2	ZINC000102912238	130387517	/nfs/dbraw/zinc/38/75/17/130387517.db2.gz	HZEMEAFFKBPSFH-RJGXRXQPSA-N	-1	3	489.984	5.203	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2F)cc1	ZINC000102924963	130395161	/nfs/dbraw/zinc/39/51/61/130395161.db2.gz	RDALMZYRUGVJSD-AYWGPLOBSA-N	-1	3	488.540	5.769	50	30		JKEAHM
C=CCOc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009361133	519043778	/nfs/dbraw/zinc/04/37/78/519043778.db2.gz	SBILHMIFLFITKB-RUZDIDTESA-N	-1	3	496.588	6.261	50	30		JKEAHM
C=CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009361133	519043789	/nfs/dbraw/zinc/04/37/89/519043789.db2.gz	SBILHMIFLFITKB-RUZDIDTESA-N	-1	3	496.588	6.261	50	30		JKEAHM
CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2Cl)cc1	ZINC000009350526	519778442	/nfs/dbraw/zinc/77/84/42/519778442.db2.gz	DVDCVIHENVMENX-HSZRJFAPSA-N	-1	3	497.378	5.954	50	30		JKEAHM
CC(C)c1cc(C(C)C)c(S(=O)(=O)[N-]CC(F)(F)C(F)(F)C(F)(F)C(F)F)c(C(C)C)c1	ZINC000003045097	519832831	/nfs/dbraw/zinc/83/28/31/519832831.db2.gz	DUAIHWURQCWIGF-UHFFFAOYSA-N	-1	3	497.492	6.506	50	30		JKEAHM
CCCCCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc21	ZINC000003259382	520061342	/nfs/dbraw/zinc/06/13/42/520061342.db2.gz	OIXGSOFMIPELLH-UHFFFAOYSA-N	-1	3	471.619	6.594	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@@H]2c1cccc(Br)c1	ZINC000012347244	520258487	/nfs/dbraw/zinc/25/84/87/520258487.db2.gz	AUDLZIWNUGXDTJ-LJQANCHMSA-N	-1	3	464.363	5.129	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@H]2c1ccc(Cl)cc1Cl	ZINC000012347046	520267261	/nfs/dbraw/zinc/26/72/61/520267261.db2.gz	SDFWUDFNTABZRO-IBGZPJMESA-N	-1	3	454.357	6.085	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccc(C(F)(F)F)cc1	ZINC000009088570	520267335	/nfs/dbraw/zinc/26/73/35/520267335.db2.gz	WVNJZYYRAQNACD-LJQANCHMSA-N	-1	3	453.464	5.797	50	30		JKEAHM
CCCCN1C(=O)/C(=C/c2cc(Br)c([O-])c(OCC)c2)S/C1=N\c1ccccc1	ZINC000009305684	520554592	/nfs/dbraw/zinc/55/45/92/520554592.db2.gz	SNWOJSBWXDRBHZ-ZLAFZYNXSA-N	-1	3	475.408	5.958	50	30		JKEAHM
CCOc1cc(/C=C2\S/C(=N\c3ccc(Br)cc3)NC2=O)cc(Cl)c1[O-]	ZINC000015015654	520631969	/nfs/dbraw/zinc/63/19/69/520631969.db2.gz	RZYDSFAANMOMGZ-DHDCSXOGSA-N	-1	3	453.745	5.098	50	30		JKEAHM
CCOc1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(CC)cc2)C3)cc(Cl)c1[O-]	ZINC000016426724	520773797	/nfs/dbraw/zinc/77/37/97/520773797.db2.gz	HNOQQALMXJTCNH-IQGLISFBSA-N	-1	3	496.003	5.541	50	30		JKEAHM
CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1[O-]	ZINC000010013460	520781747	/nfs/dbraw/zinc/78/17/47/520781747.db2.gz	BBJBEHMLRJWLDJ-NRFANRHFSA-N	-1	3	494.053	5.345	50	30		JKEAHM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@H]2c2ccccc2F)cc1Cl	ZINC000009969592	520879548	/nfs/dbraw/zinc/87/95/48/520879548.db2.gz	IYZMOXGSELFGAB-NRFANRHFSA-N	-1	3	455.869	5.249	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000009275640	520880906	/nfs/dbraw/zinc/88/09/06/520880906.db2.gz	BOPLYGNYCRUCLQ-HSZRJFAPSA-N	-1	3	490.625	6.239	50	30		JKEAHM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000009275640	520880915	/nfs/dbraw/zinc/88/09/15/520880915.db2.gz	BOPLYGNYCRUCLQ-HSZRJFAPSA-N	-1	3	490.625	6.239	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2F)cc1	ZINC000009073774	520882901	/nfs/dbraw/zinc/88/29/01/520882901.db2.gz	QMXAYBXONBFXTO-QHCPKHFHSA-N	-1	3	488.540	5.925	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000009353175	520882963	/nfs/dbraw/zinc/88/29/63/520882963.db2.gz	IATXWZWYJADTMD-XMMPIXPASA-N	-1	3	484.577	6.095	50	30		JKEAHM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000009353175	520882969	/nfs/dbraw/zinc/88/29/69/520882969.db2.gz	IATXWZWYJADTMD-XMMPIXPASA-N	-1	3	484.577	6.095	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2F)cc1	ZINC000009041087	520883359	/nfs/dbraw/zinc/88/33/59/520883359.db2.gz	QMXAYBXONBFXTO-HSZRJFAPSA-N	-1	3	488.540	5.925	50	30		JKEAHM
CCN(CC)c1ccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c([O-])c1	ZINC000016678438	520885377	/nfs/dbraw/zinc/88/53/77/520885377.db2.gz	OYMKDWFYIZYMQF-PKAZHMFMSA-N	-1	3	453.652	5.992	50	30		JKEAHM
CCOc1ccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000009124322	521035058	/nfs/dbraw/zinc/03/50/58/521035058.db2.gz	LYBAJULDZWAHPR-YOUPSONNSA-N	-1	3	485.536	5.285	50	30		JKEAHM
CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2ccccn2)cc1	ZINC000008662618	521239340	/nfs/dbraw/zinc/23/93/40/521239340.db2.gz	MEVHBAUNGUJYLD-XMMPIXPASA-N	-1	3	458.514	5.050	50	30		JKEAHM
CCOc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009065434	521268599	/nfs/dbraw/zinc/26/85/99/521268599.db2.gz	HDNZKPZECBWUIW-DEOSSOPVSA-N	-1	3	484.577	6.095	50	30		JKEAHM
CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009065434	521268609	/nfs/dbraw/zinc/26/86/09/521268609.db2.gz	HDNZKPZECBWUIW-DEOSSOPVSA-N	-1	3	484.577	6.095	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccc(C)cc3)sc2c1	ZINC000009178017	521299194	/nfs/dbraw/zinc/29/91/94/521299194.db2.gz	ADPRHJVYNKZTON-XMMPIXPASA-N	-1	3	484.577	6.095	50	30		JKEAHM
CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cc(Br)ccc1[O-]	ZINC000011903646	521572297	/nfs/dbraw/zinc/57/22/97/521572297.db2.gz	UUIFVKGAVDCXOX-AUEPDCJTSA-N	-1	3	483.794	5.666	50	30		JKEAHM
CCOC(=O)c1sc(SCc2ccccc2)c2c1C[C@H](c1ccc(OC)cc1)C/C2=N\[O-]	ZINC000008637228	521614946	/nfs/dbraw/zinc/61/49/46/521614946.db2.gz	VRQOHYRLAFYDDB-BLWNTKICSA-N	-1	3	467.612	6.134	50	30		JKEAHM
CCOC(=O)c1sc(SCc2ccccc2)c2c1C[C@@H](c1ccc(OC)cc1)C/C2=N\[O-]	ZINC000008637227	521615362	/nfs/dbraw/zinc/61/53/62/521615362.db2.gz	VRQOHYRLAFYDDB-QXOGVRMXSA-N	-1	3	467.612	6.134	50	30		JKEAHM
COC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccc([O-])cc3)c2-c2ccccc2)cc1	ZINC000002252286	521930484	/nfs/dbraw/zinc/93/04/84/521930484.db2.gz	CSVXCUPHMBGPJZ-RUMWWMSVSA-N	-1	3	472.544	7.054	50	30		JKEAHM
COC(=O)c1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009073691	522170950	/nfs/dbraw/zinc/17/09/50/522170950.db2.gz	WLKQWXQMHPCOMD-QHCPKHFHSA-N	-1	3	498.560	5.483	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(F)cc2)cc1	ZINC000009334174	523567952	/nfs/dbraw/zinc/56/79/52/523567952.db2.gz	ANNKDABEHJBWRB-QFIPXVFZSA-N	-1	3	474.513	5.535	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000009334173	523568953	/nfs/dbraw/zinc/56/89/53/523568953.db2.gz	ANNKDABEHJBWRB-JOCHJYFZSA-N	-1	3	474.513	5.535	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2OC)cc1	ZINC000009177639	523569573	/nfs/dbraw/zinc/56/95/73/523569573.db2.gz	XXGUIKXUOGBSBB-HSZRJFAPSA-N	-1	3	486.549	5.405	50	30		JKEAHM
CCC(=C([O-])NC(=Nc1nc(C)cc(C)n1)NCCc1c[nH]c2ccc(Cl)cc12)c1ccccc1	ZINC000014730346	523750909	/nfs/dbraw/zinc/75/09/09/523750909.db2.gz	POAXULJIJRGNEP-QFIPXVFZSA-N	-1	3	489.023	5.549	50	30		JKEAHM
COc1cccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)c1	ZINC000009302083	524109389	/nfs/dbraw/zinc/10/93/89/524109389.db2.gz	XVHIYMPLOIENNY-JOCHJYFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccccc3s2)c1	ZINC000009302083	524109395	/nfs/dbraw/zinc/10/93/95/524109395.db2.gz	XVHIYMPLOIENNY-JOCHJYFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
COc1cccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1	ZINC000009237504	524170679	/nfs/dbraw/zinc/17/06/79/524170679.db2.gz	NDFUAZBQJCMAMX-QFIPXVFZSA-N	-1	3	474.538	5.606	50	30		JKEAHM
COc1cccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000009334039	524171584	/nfs/dbraw/zinc/17/15/84/524171584.db2.gz	NRRQQQSWZWFHQP-QFIPXVFZSA-N	-1	3	474.513	5.535	50	30		JKEAHM
COc1cccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1OC	ZINC000009042814	524174296	/nfs/dbraw/zinc/17/42/96/524174296.db2.gz	HXDYHADHSYFBPH-FQEVSTJZSA-N	-1	3	492.578	5.466	50	30		JKEAHM
Cc1cccc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2cccc(Oc3ccccc3)c2)n1	ZINC000009008786	524531794	/nfs/dbraw/zinc/53/17/94/524531794.db2.gz	AWJUNLCKTSHNJU-DEOSSOPVSA-N	-1	3	468.534	6.027	50	30		JKEAHM
COc1ccccc1[C@@H]1C(=C([O-])c2ccccc2)C(=O)C(=O)N1c1cccc(Br)c1	ZINC000009272511	524747536	/nfs/dbraw/zinc/74/75/36/524747536.db2.gz	ZJKIDXVMCGTWGJ-OAQYLSRUSA-N	-1	3	464.315	5.241	50	30		JKEAHM
COc1ccc(OC)c([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)c1	ZINC000009271908	524911591	/nfs/dbraw/zinc/91/15/91/524911591.db2.gz	CAZSKPFHINDXFC-QHCPKHFHSA-N	-1	3	486.549	5.405	50	30		JKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)no1	ZINC000009353195	525049023	/nfs/dbraw/zinc/04/90/23/525049023.db2.gz	PBDVGTIQKNAYEA-RUZDIDTESA-N	-1	3	466.493	5.867	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009236715	525219439	/nfs/dbraw/zinc/21/94/39/525219439.db2.gz	ABTLJVMEEDERNO-XMMPIXPASA-N	-1	3	484.577	6.013	50	30		JKEAHM
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009236715	525219451	/nfs/dbraw/zinc/21/94/51/525219451.db2.gz	ABTLJVMEEDERNO-XMMPIXPASA-N	-1	3	484.577	6.013	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)cc1OC	ZINC000009046483	525219997	/nfs/dbraw/zinc/21/99/97/525219997.db2.gz	PRFUMWYQKLQJON-HSZRJFAPSA-N	-1	3	486.549	5.405	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000009173386	525221048	/nfs/dbraw/zinc/22/10/48/525221048.db2.gz	DDGZEDXMRBPVFN-JOCHJYFZSA-N	-1	3	474.513	5.535	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(C)cc2)cc1OC	ZINC000009370781	525221497	/nfs/dbraw/zinc/22/14/97/525221497.db2.gz	DFZLQTUEBVNPIV-HSZRJFAPSA-N	-1	3	463.917	5.449	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(N(C)C)cc2)cc1	ZINC000009358640	525222253	/nfs/dbraw/zinc/22/22/53/525222253.db2.gz	SAZDFAORPIRCBE-HSZRJFAPSA-N	-1	3	462.933	5.198	50	30		JKEAHM
COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(N(C)C)cc2)cc1	ZINC000009358640	525222262	/nfs/dbraw/zinc/22/22/62/525222262.db2.gz	SAZDFAORPIRCBE-HSZRJFAPSA-N	-1	3	462.933	5.198	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009241665	525222342	/nfs/dbraw/zinc/22/23/42/525222342.db2.gz	USZUFPMAJVORCU-HSZRJFAPSA-N	-1	3	488.540	5.844	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC	ZINC000009186541	525224412	/nfs/dbraw/zinc/22/44/12/525224412.db2.gz	KEEFSIPEWKKFIY-OAQYLSRUSA-N	-1	3	492.578	5.466	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009066946	525224439	/nfs/dbraw/zinc/22/44/39/525224439.db2.gz	BARUJMNRKGKSTF-HSZRJFAPSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009066946	525224449	/nfs/dbraw/zinc/22/44/49/525224449.db2.gz	BARUJMNRKGKSTF-HSZRJFAPSA-N	-1	3	470.550	5.705	50	30		JKEAHM
Cc1cc([O-])c(CN2CCCC[C@H]2C)c2c1C(=O)/C(=C/c1cc3cc(Br)ccc3o1)O2	ZINC000020647753	525315031	/nfs/dbraw/zinc/31/50/31/525315031.db2.gz	BKFDPBDYWISQBE-SRMCNWIXSA-N	-1	3	482.374	6.200	50	30		JKEAHM
Cc1cc([O-])c(Cl)c(C)c1NC(=NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1	ZINC000015223356	525325845	/nfs/dbraw/zinc/32/58/45/525325845.db2.gz	URZZYKBUGXJSSL-UHFFFAOYSA-N	-1	3	493.810	5.673	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1OC	ZINC000009271896	525391924	/nfs/dbraw/zinc/39/19/24/525391924.db2.gz	YZGLTOYSCZEAIO-QHCPKHFHSA-N	-1	3	463.917	5.449	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(Br)cc2)cc1	ZINC000009108961	525392184	/nfs/dbraw/zinc/39/21/84/525392184.db2.gz	XNDILDSXITXHRT-NRFANRHFSA-N	-1	3	464.315	5.241	50	30		JKEAHM
COc1ccc([C@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1	ZINC000009130366	525440018	/nfs/dbraw/zinc/44/00/18/525440018.db2.gz	GCPXTLBSNXVMGC-NBGIEHNGSA-N	-1	3	463.537	5.545	50	30		JKEAHM
C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1	ZINC000009123943	525517214	/nfs/dbraw/zinc/51/72/14/525517214.db2.gz	JPTIBPJAVQXKAX-IVZQSRNASA-N	-1	3	474.582	5.547	50	30		JKEAHM
C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1	ZINC000009123944	525518104	/nfs/dbraw/zinc/51/81/04/525518104.db2.gz	JPTIBPJAVQXKAX-QRQCRPRQSA-N	-1	3	474.582	5.547	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3)sc2c1	ZINC000009349736	525668350	/nfs/dbraw/zinc/66/83/50/525668350.db2.gz	HQDFAVYWOPXCIP-IZHWHUGBSA-N	-1	3	498.560	5.411	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3cccc(OC)c3)sc2c1	ZINC000009008760	525668910	/nfs/dbraw/zinc/66/89/10/525668910.db2.gz	NSEDBIDMSPMXCC-HSZRJFAPSA-N	-1	3	486.549	5.405	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccnc3)nc2c(C)c1	ZINC000009350637	525699067	/nfs/dbraw/zinc/69/90/67/525699067.db2.gz	GSMQGGHHKSHJQW-UPCLLVRISA-N	-1	3	497.576	5.414	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3)nc2c(C)c1	ZINC000009358414	525700129	/nfs/dbraw/zinc/70/01/29/525700129.db2.gz	USPKPWHNXGSUBC-CRICUBBOSA-N	-1	3	496.588	6.019	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3)nc2c(C)c1	ZINC000009358414	525700136	/nfs/dbraw/zinc/70/01/36/525700136.db2.gz	USPKPWHNXGSUBC-CRICUBBOSA-N	-1	3	496.588	6.019	50	30		JKEAHM
Cc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000009122158	525789696	/nfs/dbraw/zinc/78/96/96/525789696.db2.gz	FCXMRVJUNNVINF-JOCHJYFZSA-N	-1	3	474.969	6.349	50	30		JKEAHM
Cc1c2c(c(CN3CCCCC3)c([O-])c1CN1CCCCC1)O/C(=C\c1ccccc1F)C2=O	ZINC000011865253	525932095	/nfs/dbraw/zinc/93/20/95/525932095.db2.gz	NCNRLVCQPMHCRP-JLPGSUDCSA-N	-1	3	464.581	5.428	50	30		JKEAHM
Cc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000009464842	525985184	/nfs/dbraw/zinc/98/51/84/525985184.db2.gz	RQEXLGPJJNYXEQ-DEOSSOPVSA-N	-1	3	498.560	5.467	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000009186625	526030681	/nfs/dbraw/zinc/03/06/81/526030681.db2.gz	JSEBQZDCARMSMM-QHCPKHFHSA-N	-1	3	454.551	6.004	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000009186625	526030691	/nfs/dbraw/zinc/03/06/91/526030691.db2.gz	JSEBQZDCARMSMM-QHCPKHFHSA-N	-1	3	454.551	6.004	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000009046458	526030805	/nfs/dbraw/zinc/03/08/05/526030805.db2.gz	CPLYDMHVZCEVMC-QFIPXVFZSA-N	-1	3	485.521	5.604	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2F)cc1	ZINC000009233837	526030852	/nfs/dbraw/zinc/03/08/52/526030852.db2.gz	QPKZCTCMUOZOKV-QFIPXVFZSA-N	-1	3	458.514	5.835	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000009379954	526031060	/nfs/dbraw/zinc/03/10/60/526031060.db2.gz	SAWIKWYFPUVLCW-OAQYLSRUSA-N	-1	3	460.942	6.041	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000009273297	526032163	/nfs/dbraw/zinc/03/21/63/526032163.db2.gz	JSEBQZDCARMSMM-HSZRJFAPSA-N	-1	3	454.551	6.004	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000009273297	526032173	/nfs/dbraw/zinc/03/21/73/526032173.db2.gz	JSEBQZDCARMSMM-HSZRJFAPSA-N	-1	3	454.551	6.004	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccccc3)sc2c1	ZINC000009043408	526250935	/nfs/dbraw/zinc/25/09/35/526250935.db2.gz	UYSDIKODMBVXIQ-NRFANRHFSA-N	-1	3	460.942	6.041	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccnc3)sc2c1	ZINC000009360505	526252279	/nfs/dbraw/zinc/25/22/79/526252279.db2.gz	YSDQWNAQTOVVDJ-WNSKOXEYSA-N	-1	3	483.549	5.106	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccnc3)sc2c1	ZINC000009360508	526252818	/nfs/dbraw/zinc/25/28/18/526252818.db2.gz	YSDQWNAQTOVVDJ-IQMFZBJNSA-N	-1	3	483.549	5.106	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3)sc2c1	ZINC000009374338	526252893	/nfs/dbraw/zinc/25/28/93/526252893.db2.gz	KDLVOPOVKJMMPZ-VOIUYBSRSA-N	-1	3	482.561	5.711	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3)sc2c1	ZINC000009374338	526252895	/nfs/dbraw/zinc/25/28/95/526252895.db2.gz	KDLVOPOVKJMMPZ-VOIUYBSRSA-N	-1	3	482.561	5.711	50	30		JKEAHM
O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	ZINC000009272965	526268745	/nfs/dbraw/zinc/26/87/45/526268745.db2.gz	VTCPTSZDDCYPDE-HNAYVOBHSA-N	-1	3	466.748	5.404	50	30		JKEAHM
O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccc(Cl)cc2Cl)C1=C([O-])c1cccc([N+](=O)[O-])c1	ZINC000009427990	526269306	/nfs/dbraw/zinc/26/93/06/526269306.db2.gz	CBGQOSRKGUCIQV-IBGZPJMESA-N	-1	3	473.268	5.273	50	30		JKEAHM
O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000009427990	526269308	/nfs/dbraw/zinc/26/93/08/526269308.db2.gz	CBGQOSRKGUCIQV-IBGZPJMESA-N	-1	3	473.268	5.273	50	30		JKEAHM
O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	ZINC000009433793	526269374	/nfs/dbraw/zinc/26/93/74/526269374.db2.gz	RDCKCUYMAWZGKJ-IBGZPJMESA-N	-1	3	462.716	6.018	50	30		JKEAHM
[O-]c1ccc(Br)cc1/C=N/c1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1	ZINC000003066499	526341299	/nfs/dbraw/zinc/34/12/99/526341299.db2.gz	QOXPMAWAJYRIRY-YSURURNPSA-N	-1	3	462.130	7.020	50	30		JKEAHM
[O-]c1ccc2ccccc2c1/C=N/c1ccc2nc(SCc3cc(Cl)ccc3Cl)sc2c1	ZINC000003669051	526354360	/nfs/dbraw/zinc/35/43/60/526354360.db2.gz	BEARGERABTUAIU-XODNFHPESA-N	-1	3	495.456	8.505	50	30		JKEAHM
Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)s1	ZINC000009510629	526354634	/nfs/dbraw/zinc/35/46/34/526354634.db2.gz	DPNGNOZCPKWKHB-FPTDNZKUSA-N	-1	3	475.570	5.076	50	30		JKEAHM
[O-]c1ccccc1-c1cc(-c2ccc(Br)cc2)nc(N=NCc2ccccc2F)n1	ZINC000015163151	526368982	/nfs/dbraw/zinc/36/89/82/526368982.db2.gz	MIVHRHDAIRIJEP-VULFUBBASA-N	-1	3	463.310	5.864	50	30		JKEAHM
O=C(Oc1ccc([C@@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)CCC3)cc1)c1ccccc1	ZINC000009846907	526441698	/nfs/dbraw/zinc/44/16/98/526441698.db2.gz	NKHMVZLNPQARLH-DEOSSOPVSA-N	-1	3	477.520	5.362	50	30		JKEAHM
N#CCCSc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)n1-c1ccccc1	ZINC000009322536	526463939	/nfs/dbraw/zinc/46/39/39/526463939.db2.gz	WTOHUVBHRXQJRZ-UHFFFAOYSA-N	-1	3	496.017	5.394	50	30		JKEAHM
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[N-]c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2	ZINC000002091338	526843347	/nfs/dbraw/zinc/84/33/47/526843347.db2.gz	GTHIXJCOZOXWCP-ZDUSSCGKSA-N	-1	3	471.985	6.779	50	30		JKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)sc1C	ZINC000009073861	526961114	/nfs/dbraw/zinc/96/11/14/526961114.db2.gz	NQLJIKBFDHPZNT-QFIPXVFZSA-N	-1	3	460.599	6.149	50	30		JKEAHM
Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)sc1C	ZINC000009073861	526961121	/nfs/dbraw/zinc/96/11/21/526961121.db2.gz	NQLJIKBFDHPZNT-QFIPXVFZSA-N	-1	3	460.599	6.149	50	30		JKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@@H]2c2ccc(C(C)C)cc2)sc1C	ZINC000009271569	526961953	/nfs/dbraw/zinc/96/19/53/526961953.db2.gz	FZSVXXLKFMESKV-NRFANRHFSA-N	-1	3	450.535	5.805	50	30		JKEAHM
O=c1[nH][n-]c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C1=C(C[C@H](c3cccs3)CC1=O)N2	ZINC000012349342	527024507	/nfs/dbraw/zinc/02/45/07/527024507.db2.gz	NWQKUPBPIBKCHI-MBSDFSHPSA-N	-1	3	469.566	5.714	50	30		JKEAHM
O=c1[n-][nH]c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C1=C(C[C@H](c3cccs3)CC1=O)N2	ZINC000012349342	527024513	/nfs/dbraw/zinc/02/45/13/527024513.db2.gz	NWQKUPBPIBKCHI-MBSDFSHPSA-N	-1	3	469.566	5.714	50	30		JKEAHM
O=C([N-]c1nc(-c2ccc(F)cc2)cn1/N=C/c1ccc(Cl)cc1Cl)Nc1ccccc1	ZINC000020616426	527498269	/nfs/dbraw/zinc/49/82/69/527498269.db2.gz	LNMNNMGTFGXQNI-UVHMKAGCSA-N	-1	3	468.319	6.522	50	30		JKEAHM
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccccc2[N+](=O)[O-])C1=C([O-])C=Cc1ccccc1	ZINC000009111004	527629918	/nfs/dbraw/zinc/62/99/18/527629918.db2.gz	ZLEQUAHCDQGXOZ-YAOQVBECSA-N	-1	3	494.425	5.796	50	30		JKEAHM
O=C(C=Cc1ccccc1)C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000009111004	527629921	/nfs/dbraw/zinc/62/99/21/527629921.db2.gz	ZLEQUAHCDQGXOZ-YAOQVBECSA-N	-1	3	494.425	5.796	50	30		JKEAHM
CC(C)Oc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102369317	534967876	/nfs/dbraw/zinc/96/78/76/534967876.db2.gz	FLTXJZDAKKUERF-HOGKFDNTSA-N	-1	3	462.571	5.680	50	30		JKEAHM
CC(C)Oc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102369320	534968703	/nfs/dbraw/zinc/96/87/03/534968703.db2.gz	FLTXJZDAKKUERF-MOBKVPTQSA-N	-1	3	462.571	5.680	50	30		JKEAHM
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cc(Cl)c([O-])c(OC)c1	ZINC000096295142	535207314	/nfs/dbraw/zinc/20/73/14/535207314.db2.gz	MHNRPFLKBAEXEC-MZNJEOGPSA-N	-1	3	481.976	5.369	50	30		JKEAHM
CCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102880509	535418085	/nfs/dbraw/zinc/41/80/85/535418085.db2.gz	MZCCXYBPRCAQGS-COUQNMRISA-N	-1	3	488.565	5.840	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccccc3)sc2c1	ZINC000102883364	535442279	/nfs/dbraw/zinc/44/22/79/535442279.db2.gz	KATXWNYPIZICFX-HOGKFDNTSA-N	-1	3	456.523	5.321	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccccc3OC)sc2c1	ZINC000102882733	535443164	/nfs/dbraw/zinc/44/31/64/535443164.db2.gz	GTVWVEHALWCIHG-AYWGPLOBSA-N	-1	3	486.549	5.330	50	30		JKEAHM
CCOc1cc(Br)c(Br)c(/C=N/c2ccccc2OC(F)F)c1[O-]	ZINC000102417580	535661958	/nfs/dbraw/zinc/66/19/58/535661958.db2.gz	LNARDJFGFLTHNA-ODCIPOBUSA-N	-1	3	465.088	5.668	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000102694937	535827752	/nfs/dbraw/zinc/82/77/52/535827752.db2.gz	ONCVGNXYWBWSHW-ZHHPLPSFSA-N	-1	3	499.548	5.702	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccccc3)sc2c1	ZINC000102730155	535827927	/nfs/dbraw/zinc/82/79/27/535827927.db2.gz	GIAGOOVTWSWNPU-AYWGPLOBSA-N	-1	3	454.551	5.793	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccccc3)sc2c1	ZINC000102730155	535827930	/nfs/dbraw/zinc/82/79/30/535827930.db2.gz	GIAGOOVTWSWNPU-AYWGPLOBSA-N	-1	3	454.551	5.793	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccccc3)sc2c1	ZINC000102730152	535828993	/nfs/dbraw/zinc/82/89/93/535828993.db2.gz	GIAGOOVTWSWNPU-ZHHPLPSFSA-N	-1	3	454.551	5.793	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccccc3)sc2c1	ZINC000102730152	535828999	/nfs/dbraw/zinc/82/89/99/535828999.db2.gz	GIAGOOVTWSWNPU-ZHHPLPSFSA-N	-1	3	454.551	5.793	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(Cl)cc3)sc2c1	ZINC000102704711	535829729	/nfs/dbraw/zinc/82/97/29/535829729.db2.gz	YQRANNYYIWRRDJ-HOGKFDNTSA-N	-1	3	474.969	6.138	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccccc3OC)sc2c1	ZINC000102717086	535829955	/nfs/dbraw/zinc/82/99/55/535829955.db2.gz	NITFDUJMLRKTIE-AYWGPLOBSA-N	-1	3	470.550	5.494	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102706153	535831376	/nfs/dbraw/zinc/83/13/76/535831376.db2.gz	VICHHSUICRTZMG-ZHHPLPSFSA-N	-1	3	488.634	6.670	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(C)cc3)sc2c1	ZINC000102692165	535831503	/nfs/dbraw/zinc/83/15/03/535831503.db2.gz	ALNHEWVEXKBSLK-JBCNATCCSA-N	-1	3	460.580	5.855	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cccc(O)c3)sc2c1	ZINC000102699204	535831642	/nfs/dbraw/zinc/83/16/42/535831642.db2.gz	AHXYTZCLCSUZJI-NHFXJNLRSA-N	-1	3	462.552	5.252	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(OC)cc3)sc2c1	ZINC000102704735	535831655	/nfs/dbraw/zinc/83/16/55/535831655.db2.gz	CUSDKEVISUZJIW-JBCNATCCSA-N	-1	3	476.579	5.555	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cccs3)sc2c1	ZINC000102718938	535831963	/nfs/dbraw/zinc/83/19/63/535831963.db2.gz	DJBFPXXVDIFVMF-GHNGSUTGSA-N	-1	3	452.582	5.608	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccs2)cc1C	ZINC000102719384	536568469	/nfs/dbraw/zinc/56/84/69/536568469.db2.gz	WFQIYFRITDRXHF-MRJHHRETSA-N	-1	3	476.579	5.610	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000102878686	536568807	/nfs/dbraw/zinc/56/88/07/536568807.db2.gz	RSNRZQJKGVTMKF-HOGKFDNTSA-N	-1	3	474.513	5.379	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2)cc1C	ZINC000102699329	536569378	/nfs/dbraw/zinc/56/93/78/536569378.db2.gz	UNBJJUXYLQVESC-AYWGPLOBSA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2)cc1C	ZINC000102699329	536569383	/nfs/dbraw/zinc/56/93/83/536569383.db2.gz	UNBJJUXYLQVESC-AYWGPLOBSA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C)o2)cc1C	ZINC000102722912	536570144	/nfs/dbraw/zinc/57/01/44/536570144.db2.gz	BUUBFHDDIFALDR-HOGKFDNTSA-N	-1	3	474.538	5.449	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccs2)c1	ZINC000102733273	537073606	/nfs/dbraw/zinc/07/36/06/537073606.db2.gz	YGQAHDSXWZYFET-OBVHCKHUSA-N	-1	3	476.579	5.610	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2F)c1	ZINC000102546744	537073814	/nfs/dbraw/zinc/07/38/14/537073814.db2.gz	KIKBOOYTUSPPTQ-HOGKFDNTSA-N	-1	3	474.513	5.379	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(O)c2)c1	ZINC000102717574	537073931	/nfs/dbraw/zinc/07/39/31/537073931.db2.gz	MBWZYWQEIJAWOZ-COUQNMRISA-N	-1	3	486.549	5.254	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C)o2)c1	ZINC000102712117	537074214	/nfs/dbraw/zinc/07/42/14/537074214.db2.gz	UVMFWKRATGODIL-JBCNATCCSA-N	-1	3	460.511	5.141	50	30		JKEAHM
CCOc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2cc(OC)ccc2OC)cc1	ZINC000000625528	553713935	/nfs/dbraw/zinc/71/39/35/553713935.db2.gz	CKOPUXVHYFQLAI-VWLOTQADSA-N	-1	3	473.525	5.194	50	30		JKEAHM
CCOc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cc(OC)ccc2OC)cc1	ZINC000000625528	553713937	/nfs/dbraw/zinc/71/39/37/553713937.db2.gz	CKOPUXVHYFQLAI-VWLOTQADSA-N	-1	3	473.525	5.194	50	30		JKEAHM
CCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1[O-]	ZINC000000654419	553735014	/nfs/dbraw/zinc/73/50/14/553735014.db2.gz	VBNKRWOCTJZNRR-UHFFFAOYSA-N	-1	3	488.422	5.527	50	30		JKEAHM
CN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Br)ccc2[O-])C2=C1CC(C)(C)CC2=O	ZINC000000665639	553741906	/nfs/dbraw/zinc/74/19/06/553741906.db2.gz	IYOJFAWDUOOFNN-UHFFFAOYSA-N	-1	3	458.396	5.470	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@@H]3c3cccs3)nc2c(C)c1	ZINC000000703126	553762518	/nfs/dbraw/zinc/76/25/18/553762518.db2.gz	IBJKWQZBLFIJGN-QFIPXVFZSA-N	-1	3	486.574	6.504	50	30		JKEAHM
CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc(Cl)c1[O-]	ZINC000000709410	553765430	/nfs/dbraw/zinc/76/54/30/553765430.db2.gz	MMMVLXUCHWWCIQ-CRYYWNKWSA-N	-1	3	490.987	6.432	50	30		JKEAHM
N#Cc1c([N-]C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)sc2c1CCCC2	ZINC000000756455	553777802	/nfs/dbraw/zinc/77/78/02/553777802.db2.gz	MPBXWWLORQAGOR-UHFFFAOYSA-N	-1	3	467.476	5.479	50	30		JKEAHM
COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc(Br)c1[O-]	ZINC000000828731	553789800	/nfs/dbraw/zinc/78/98/00/553789800.db2.gz	YMTGNPCGBRKDCI-QHCPKHFHSA-N	-1	3	450.332	5.990	50	30		JKEAHM
COc1cc([C@H]2c3ccc4ccccc4c3NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1[O-]	ZINC000000831850	553790522	/nfs/dbraw/zinc/79/05/22/553790522.db2.gz	KIHAGRPBNAQVSX-QFIPXVFZSA-N	-1	3	478.386	6.517	50	30		JKEAHM
CCOc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CCC3)cc(Br)c1[O-]	ZINC000000844196	553794878	/nfs/dbraw/zinc/79/48/78/553794878.db2.gz	VGAXDSXAFUCICB-NRFANRHFSA-N	-1	3	490.394	5.007	50	30		JKEAHM
C[C@H]1CCc2c(C#N)c([N-]C(=O)c3cc4nc(-c5ccccc5)cc(C(F)(F)F)n4n3)sc2C1	ZINC000000845076	553795407	/nfs/dbraw/zinc/79/54/07/553795407.db2.gz	LBGRJEKIBROUCP-ZDUSSCGKSA-N	-1	3	481.503	5.725	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@H]2c1cc(Br)ccc1[O-]	ZINC000000847514	553796458	/nfs/dbraw/zinc/79/64/58/553796458.db2.gz	UDWJDMMLGXFQOR-PZJWPPBQSA-N	-1	3	450.332	5.197	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccccc3s2)c(OC)c1	ZINC000000846446	553796505	/nfs/dbraw/zinc/79/65/05/553796505.db2.gz	KVMSFQOHOZMRPR-QFIPXVFZSA-N	-1	3	472.522	5.096	50	30		JKEAHM
COc1cc(Br)cc(/C=N/c2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)c1[O-]	ZINC000000864869	553804078	/nfs/dbraw/zinc/80/40/78/553804078.db2.gz	KQVGIVGLGSGLKB-BRJLIKDPSA-N	-1	3	451.320	6.339	50	30		JKEAHM
C[C@H]1CCc2c(C#N)c([N-]C(=O)c3cnn4c3nc(-c3ccccc3)cc4C(F)(F)F)sc2C1	ZINC000000994587	553897004	/nfs/dbraw/zinc/89/70/04/553897004.db2.gz	WESXCHZAKADSGL-ZDUSSCGKSA-N	-1	3	481.503	5.725	50	30		JKEAHM
COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(Cl)c1[O-]	ZINC000001077142	553904625	/nfs/dbraw/zinc/90/46/25/553904625.db2.gz	PUFAQFAATXWXFI-JCQPUDPBSA-N	-1	3	452.963	6.095	50	30		JKEAHM
O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2	ZINC000001122217	553912099	/nfs/dbraw/zinc/91/20/99/553912099.db2.gz	ZEXQKTWHKKGFCX-OAQYLSRUSA-N	-1	3	486.307	5.136	50	30		JKEAHM
COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(Br)c1[O-]	ZINC000001155588	553918672	/nfs/dbraw/zinc/91/86/72/553918672.db2.gz	IPSHTUJRJRRVPR-ZAMGYDSWSA-N	-1	3	497.414	6.204	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(Br)cc2)cc1OC	ZINC000001186067	553930693	/nfs/dbraw/zinc/93/06/93/553930693.db2.gz	MUKMFQBGGUXOAW-QFIPXVFZSA-N	-1	3	494.341	5.249	50	30		JKEAHM
CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc(Cl)c1[O-]	ZINC000001434780	553971449	/nfs/dbraw/zinc/97/14/49/553971449.db2.gz	ILODJTKBLCGTOI-MYUZEXMDSA-N	-1	3	474.988	6.732	50	30		JKEAHM
CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc(Cl)c1[O-]	ZINC000001434778	553971484	/nfs/dbraw/zinc/97/14/84/553971484.db2.gz	ILODJTKBLCGTOI-CLYVBNDRSA-N	-1	3	474.988	6.732	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@@H]3c3ccccc3)sc2c1	ZINC000001450709	553973568	/nfs/dbraw/zinc/97/35/68/553973568.db2.gz	ZGDRRRYCWMFJNI-QHCPKHFHSA-N	-1	3	486.549	5.405	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(F)cc2)c1	ZINC000001451986	553974118	/nfs/dbraw/zinc/97/41/18/553974118.db2.gz	NMZDJLYHNSSLMU-QHCPKHFHSA-N	-1	3	488.540	5.844	50	30		JKEAHM
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(Cl)c([O-])c(OC)c2)cc1	ZINC000001467876	553976607	/nfs/dbraw/zinc/97/66/07/553976607.db2.gz	TYVWSHUAUOYNKL-DXPJPUQTSA-N	-1	3	476.960	6.042	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)C)cc2)c(C)c1	ZINC000001467559	553976615	/nfs/dbraw/zinc/97/66/15/553976615.db2.gz	MBEQJJGIJVUJMU-VWLOTQADSA-N	-1	3	456.542	5.695	50	30		JKEAHM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)C)cc2)c(C)c1	ZINC000001467559	553976618	/nfs/dbraw/zinc/97/66/18/553976618.db2.gz	MBEQJJGIJVUJMU-VWLOTQADSA-N	-1	3	456.542	5.695	50	30		JKEAHM
COc1cc(Cl)cc(/C=N/c2ccc3oc(-c4ccc(C)c(Br)c4)nc3c2)c1[O-]	ZINC000002067244	554020432	/nfs/dbraw/zinc/02/04/32/554020432.db2.gz	ARNKAIMCSMKGMR-OPEKNORGSA-N	-1	3	471.738	6.684	50	30		JKEAHM
CCc1ccccc1/N=C1\S/C(=C\c2cc(Cl)c([O-])c(OC)c2)C(=O)N1c1ccccc1CC	ZINC000002084069	554029891	/nfs/dbraw/zinc/02/98/91/554029891.db2.gz	UVKZDRXJKSDYRQ-HVSIYQNKSA-N	-1	3	493.028	6.988	50	30		JKEAHM
N#Cc1c2c(sc1[N-]C(=S)NC(=O)c1cc(-c3ccccc3)nc3ccccc31)CCCC2	ZINC000002111039	554049923	/nfs/dbraw/zinc/04/99/23/554049923.db2.gz	MHIVRTSBKGDMFA-UHFFFAOYSA-N	-1	3	468.607	5.841	50	30		JKEAHM
CCOc1ccc(/N=C2/S/C(=C\c3ccc([O-])c(I)c3)C(=O)N2CC)cc1	ZINC000002165416	554075468	/nfs/dbraw/zinc/07/54/68/554075468.db2.gz	WKYJRAZPLQQJQD-CFDZAGTRSA-N	-1	3	494.354	5.019	50	30		JKEAHM
O=C1c2ccccc2C2=C1[C@H](c1ccc(Cl)cc1Cl)c1c([n-]n(-c3ccccc3)c1=O)N2	ZINC000002201661	554091319	/nfs/dbraw/zinc/09/13/19/554091319.db2.gz	KZVZRYZYELLRCE-IBGZPJMESA-N	-1	3	460.320	6.050	50	30		JKEAHM
Cc1cc(C)nc(N=C([N-]C(=O)Nc2ccc(Cl)c(Cl)c2)Nc2ccc(Cl)cc2Cl)n1	ZINC000002268323	554125823	/nfs/dbraw/zinc/12/58/23/554125823.db2.gz	SQXQPWXBPDLXLU-UHFFFAOYSA-N	-1	3	498.201	6.628	50	30		JKEAHM
COc1ccc(OC)c(NC(=Nc2nc(C)cc(C)n2)[N-]C(=O)Nc2ccc(Cl)c(Cl)c2)c1	ZINC000002268404	554125855	/nfs/dbraw/zinc/12/58/55/554125855.db2.gz	BOORGAMLRSIDJU-UHFFFAOYSA-N	-1	3	489.363	5.339	50	30		JKEAHM
Cc1cc(C)nc(N=C([N-]C(=O)Nc2ccc(Cl)c(Cl)c2)Nc2cccc(C(F)(F)F)c2)n1	ZINC000002269450	554126249	/nfs/dbraw/zinc/12/62/49/554126249.db2.gz	VQZIJNYRWTUAJU-UHFFFAOYSA-N	-1	3	497.308	6.340	50	30		JKEAHM
COc1ccc(-n2c([N-]C(=O)c3ccc(Br)o3)c(C#N)c3nc4ccccc4nc32)cc1	ZINC000002286826	554133526	/nfs/dbraw/zinc/13/35/26/554133526.db2.gz	XFENZWARCAUGLQ-UHFFFAOYSA-N	-1	3	488.301	5.062	50	30		JKEAHM
CCCc1sc(/N=C/c2c3c(cc(C(C)(C)C)c2[O-])oc2c3CCCC2)c(C(=O)OCC)c1C	ZINC000002299239	554138699	/nfs/dbraw/zinc/13/86/99/554138699.db2.gz	OCTARQAIFWFJSO-WKULSOCRSA-N	-1	3	481.658	7.564	50	30		JKEAHM
Cc1cc(C)nc(N=C([N-]C(=O)Nc2ccc(Cl)c(Cl)c2)Nc2ccc(Cl)c(Cl)c2)n1	ZINC000002328531	554150444	/nfs/dbraw/zinc/15/04/44/554150444.db2.gz	LJNVTXJMGJWQJQ-UHFFFAOYSA-N	-1	3	498.201	6.628	50	30		JKEAHM
CCOc1ccccc1C(=O)NC([N-]c1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F	ZINC000002345362	554158338	/nfs/dbraw/zinc/15/83/38/554158338.db2.gz	WQQIDSFRROJHNT-UHFFFAOYSA-N	-1	3	458.761	5.541	50	30		JKEAHM
N#Cc1c2c(sc1[N-]C(=S)NC(=O)c1cc(-c3ccccc3)nc3ccccc31)CCCCCC2	ZINC000002354512	554163418	/nfs/dbraw/zinc/16/34/18/554163418.db2.gz	TUZOANALMUUNIU-UHFFFAOYSA-N	-1	3	496.661	6.621	50	30		JKEAHM
COC(=O)c1c(/N=C/c2cc(I)cc(C)c2[O-])sc2c1CC[C@H](C)C2	ZINC000002744281	554322980	/nfs/dbraw/zinc/32/29/80/554322980.db2.gz	KWXCAVGUOFWIRR-LUKZVCJISA-N	-1	3	469.344	5.029	50	30		JKEAHM
C=CCn1c(SCC(=O)Nc2cccc(SC)c2)nnc1-c1cc(Br)ccc1[O-]	ZINC000002858044	554384709	/nfs/dbraw/zinc/38/47/09/554384709.db2.gz	GTYLUYOLPBCKGC-UHFFFAOYSA-N	-1	3	491.436	5.052	50	30		JKEAHM
N#Cc1c2c(sc1[N-]C(=S)NC(=O)c1ccc(-c3ccc(Cl)cc3Cl)o1)CCC2	ZINC000002881694	554403847	/nfs/dbraw/zinc/40/38/47/554403847.db2.gz	VQZVYZFBRROXTE-UHFFFAOYSA-N	-1	3	462.383	5.802	50	30		JKEAHM
O=C(Nc1cccc(/N=C/c2cc(Br)ccc2[O-])c1)c1cccc(Br)c1	ZINC000006974415	554562863	/nfs/dbraw/zinc/56/28/63/554562863.db2.gz	DFFYOLSZGCBAGM-FSJBWODESA-N	-1	3	474.152	5.920	50	30		JKEAHM
CCCCCCCn1c2ccccc2nc1/N=C/c1c2c(cc(C(C)(C)C)c1[O-])oc1c2CCCC1	ZINC000008400288	554575500	/nfs/dbraw/zinc/57/55/00/554575500.db2.gz	SERIRDGCAPIVKX-UZWMFBFFSA-N	-1	3	485.672	8.385	50	30		JKEAHM
Cn1c2ccccc2nc1[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000008426950	554582247	/nfs/dbraw/zinc/58/22/47/554582247.db2.gz	KCIUHVLTJZAWEK-UHFFFAOYSA-N	-1	3	493.223	5.251	50	30		JKEAHM
Cc1[nH]c2ccccc2c1CN=Nc1nc([N-]c2ccc([N+](=O)[O-])cc2)nc(N2CCCCCC2)n1	ZINC000008427570	554582947	/nfs/dbraw/zinc/58/29/47/554582947.db2.gz	XKNZPCFRWLJJBZ-WGOQTCKBSA-N	-1	3	485.552	5.140	50	30		JKEAHM
O=c1c(C=NCc2cccc(C(F)(F)F)c2)c(-c2ccccc2)[n-]n1-c1nc2ccccc2s1	ZINC000008450402	554596450	/nfs/dbraw/zinc/59/64/50/554596450.db2.gz	VKGDEASETKAAFZ-WKULSOCRSA-N	-1	3	478.499	6.080	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccccc3OC)sc2c1	ZINC000008738656	554640316	/nfs/dbraw/zinc/64/03/16/554640316.db2.gz	SOPAJFCEGPUXHE-OAQYLSRUSA-N	-1	3	476.579	5.712	50	30		JKEAHM
Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)s1	ZINC000008743007	554645603	/nfs/dbraw/zinc/64/56/03/554645603.db2.gz	QJHFRTPBLGPDDI-QFIPXVFZSA-N	-1	3	491.613	5.714	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C)cc2)c1	ZINC000008743859	554646880	/nfs/dbraw/zinc/64/68/80/554646880.db2.gz	UETLJCDFSSWJDK-QHCPKHFHSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C)cc2)c1	ZINC000008743859	554646883	/nfs/dbraw/zinc/64/68/83/554646883.db2.gz	UETLJCDFSSWJDK-QHCPKHFHSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2)c1	ZINC000008744135	554647214	/nfs/dbraw/zinc/64/72/14/554647214.db2.gz	NFEJKWAFVBTTMR-HSZRJFAPSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2)c1	ZINC000008744135	554647217	/nfs/dbraw/zinc/64/72/17/554647217.db2.gz	NFEJKWAFVBTTMR-HSZRJFAPSA-N	-1	3	470.550	5.705	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C(C)C)cc2)o1	ZINC000008816851	554699039	/nfs/dbraw/zinc/69/90/39/554699039.db2.gz	DWKVHFBKISEDDQ-XMMPIXPASA-N	-1	3	486.593	6.721	50	30		JKEAHM
COc1ccccc1[C@@H]1C(=C([O-])c2ccccc2)C(=O)C(=O)N1c1nc2c(cc(C)cc2C)s1	ZINC000008817809	554700898	/nfs/dbraw/zinc/70/08/98/554700898.db2.gz	SBWFACLRXIVLDO-HSZRJFAPSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1c1nc2c(cc(C)cc2C)s1	ZINC000008817809	554700899	/nfs/dbraw/zinc/70/08/99/554700899.db2.gz	SBWFACLRXIVLDO-HSZRJFAPSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000008837113	554737632	/nfs/dbraw/zinc/73/76/32/554737632.db2.gz	UVRPTECKAJYWDH-VWLOTQADSA-N	-1	3	498.604	6.520	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000008837113	554737634	/nfs/dbraw/zinc/73/76/34/554737634.db2.gz	UVRPTECKAJYWDH-VWLOTQADSA-N	-1	3	498.604	6.520	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccccc3)sc2c1	ZINC000008837009	554737647	/nfs/dbraw/zinc/73/76/47/554737647.db2.gz	HNJYOQBVIHECQM-JOCHJYFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
COc1cccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000008837426	554738377	/nfs/dbraw/zinc/73/83/77/554738377.db2.gz	SYDUDMIEQYMTOP-JOCHJYFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000008837426	554738379	/nfs/dbraw/zinc/73/83/79/554738379.db2.gz	SYDUDMIEQYMTOP-JOCHJYFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccccc3OC)sc2c1	ZINC000008837886	554739086	/nfs/dbraw/zinc/73/90/86/554739086.db2.gz	UBYKCJOAHRKFEC-HSZRJFAPSA-N	-1	3	486.549	5.405	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000008838180	554739577	/nfs/dbraw/zinc/73/95/77/554739577.db2.gz	IADOPKNRMHBKQE-HSZRJFAPSA-N	-1	3	488.540	5.844	50	30		JKEAHM
CCOc1cccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1	ZINC000008845271	554742046	/nfs/dbraw/zinc/74/20/46/554742046.db2.gz	FQNLSLANGDEOOU-OAQYLSRUSA-N	-1	3	476.554	5.144	50	30		JKEAHM
Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(C(C)(C)C)cc2)s1	ZINC000008845804	554743703	/nfs/dbraw/zinc/74/37/03/554743703.db2.gz	IBXFYBIMHUEDCZ-RCDICMHDSA-N	-1	3	489.597	5.250	50	30		JKEAHM
Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C(C)(C)C)cc2)s1	ZINC000008845807	554744021	/nfs/dbraw/zinc/74/40/21/554744021.db2.gz	IBXFYBIMHUEDCZ-PEBXRYMYSA-N	-1	3	489.597	5.250	50	30		JKEAHM
CCOc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Br)c2)cc1	ZINC000008846461	554744916	/nfs/dbraw/zinc/74/49/16/554744916.db2.gz	FXDNKLHIETWYKC-HSZRJFAPSA-N	-1	3	492.369	5.939	50	30		JKEAHM
CCCCCCOc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(CC)cc2)c1	ZINC000008846491	554745078	/nfs/dbraw/zinc/74/50/78/554745078.db2.gz	AQJMONHGXXQMSK-MUUNZHRXSA-N	-1	3	483.608	6.991	50	30		JKEAHM
CCCCCCOc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(CC)cc2)c1	ZINC000008846491	554745080	/nfs/dbraw/zinc/74/50/80/554745080.db2.gz	AQJMONHGXXQMSK-MUUNZHRXSA-N	-1	3	483.608	6.991	50	30		JKEAHM
CC(C)c1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccccc3s2)cc1	ZINC000008856812	554752994	/nfs/dbraw/zinc/75/29/94/554752994.db2.gz	KAQVILSKLACVST-QHCPKHFHSA-N	-1	3	454.551	6.203	50	30		JKEAHM
CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccccc3s2)cc1	ZINC000008856812	554752997	/nfs/dbraw/zinc/75/29/97/554752997.db2.gz	KAQVILSKLACVST-QHCPKHFHSA-N	-1	3	454.551	6.203	50	30		JKEAHM
O=[N+]([O-])c1ccc([N-]c2nc(N=NCc3ccc(Cl)cc3Cl)nc(Nc3ccccc3)n2)cc1	ZINC000008872700	554769258	/nfs/dbraw/zinc/76/92/58/554769258.db2.gz	KHMDVCDYZISKKE-DHRITJCHSA-N	-1	3	495.330	6.020	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(C)cc3)sc2c1	ZINC000008894139	554783128	/nfs/dbraw/zinc/78/31/28/554783128.db2.gz	IFBGIGCPASYPSG-HSZRJFAPSA-N	-1	3	488.996	6.603	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccccc3)sc2c1	ZINC000008894097	554783197	/nfs/dbraw/zinc/78/31/97/554783197.db2.gz	JBFNYFGDQAHRSX-QFIPXVFZSA-N	-1	3	474.969	6.295	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000008894270	554783412	/nfs/dbraw/zinc/78/34/12/554783412.db2.gz	FBELEYZOCDXYRV-HSZRJFAPSA-N	-1	3	486.593	6.532	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccccc3OC)sc2c1	ZINC000008894449	554783692	/nfs/dbraw/zinc/78/36/92/554783692.db2.gz	DZRMXNVBJZATIV-DEOSSOPVSA-N	-1	3	484.577	5.959	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccccc3OC)sc2c1	ZINC000008894449	554783695	/nfs/dbraw/zinc/78/36/95/554783695.db2.gz	DZRMXNVBJZATIV-DEOSSOPVSA-N	-1	3	484.577	5.959	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000008894485	554783728	/nfs/dbraw/zinc/78/37/28/554783728.db2.gz	OJWDMGRDQYKBNU-AREMUKBSSA-N	-1	3	496.632	7.073	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000008894485	554783731	/nfs/dbraw/zinc/78/37/31/554783731.db2.gz	OJWDMGRDQYKBNU-AREMUKBSSA-N	-1	3	496.632	7.073	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000008894539	554783809	/nfs/dbraw/zinc/78/38/09/554783809.db2.gz	OBUICFASXXVVGL-RUZDIDTESA-N	-1	3	496.632	6.939	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000008894539	554783811	/nfs/dbraw/zinc/78/38/11/554783811.db2.gz	OBUICFASXXVVGL-RUZDIDTESA-N	-1	3	496.632	6.939	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2)cc1C	ZINC000008894974	554784431	/nfs/dbraw/zinc/78/44/31/554784431.db2.gz	RIJMTBGSRSKTDL-DEOSSOPVSA-N	-1	3	484.577	6.013	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2)cc1C	ZINC000008894974	554784433	/nfs/dbraw/zinc/78/44/33/554784433.db2.gz	RIJMTBGSRSKTDL-DEOSSOPVSA-N	-1	3	484.577	6.013	50	30		JKEAHM
CC(C)Oc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000008898506	554789087	/nfs/dbraw/zinc/78/90/87/554789087.db2.gz	RJRPFEUMVDEOBO-RUZDIDTESA-N	-1	3	456.542	5.775	50	30		JKEAHM
CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000008898506	554789089	/nfs/dbraw/zinc/78/90/89/554789089.db2.gz	RJRPFEUMVDEOBO-RUZDIDTESA-N	-1	3	456.542	5.775	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1	ZINC000008899237	554790026	/nfs/dbraw/zinc/79/00/26/554790026.db2.gz	LRGHQUFYFVMDFU-JOCHJYFZSA-N	-1	3	485.521	5.604	50	30		JKEAHM
CCOc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000008899916	554791516	/nfs/dbraw/zinc/79/15/16/554791516.db2.gz	JQZXCEAZVGFHDF-OAQYLSRUSA-N	-1	3	476.579	5.848	50	30		JKEAHM
COc1cccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1	ZINC000008902821	554796811	/nfs/dbraw/zinc/79/68/11/554796811.db2.gz	MGCNWBZEQCPIGW-NRFANRHFSA-N	-1	3	476.579	5.766	50	30		JKEAHM
CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000008903365	554797513	/nfs/dbraw/zinc/79/75/13/554797513.db2.gz	ZKMXTFLHQJSTGE-RUZDIDTESA-N	-1	3	456.542	5.777	50	30		JKEAHM
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000008903365	554797517	/nfs/dbraw/zinc/79/75/17/554797517.db2.gz	ZKMXTFLHQJSTGE-RUZDIDTESA-N	-1	3	456.542	5.777	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C)cc2)cc1C	ZINC000008915047	554808028	/nfs/dbraw/zinc/80/80/28/554808028.db2.gz	VHKKDYMZMAFGDI-RUZDIDTESA-N	-1	3	498.604	6.321	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C)cc2)cc1C	ZINC000008915047	554808031	/nfs/dbraw/zinc/80/80/31/554808031.db2.gz	VHKKDYMZMAFGDI-RUZDIDTESA-N	-1	3	498.604	6.321	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2)cc1C	ZINC000008915084	554808400	/nfs/dbraw/zinc/80/84/00/554808400.db2.gz	AXNDEGQNWJVXIV-HSZRJFAPSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2)cc1C	ZINC000008915084	554808401	/nfs/dbraw/zinc/80/84/01/554808401.db2.gz	AXNDEGQNWJVXIV-HSZRJFAPSA-N	-1	3	470.550	5.705	50	30		JKEAHM
CCCCCCOc1ccc(NC(=O)[C@H]2CC(=O)[N-]/C(=N\N=C(/C)c3ccc(F)cc3)S2)cc1	ZINC000008916084	554810306	/nfs/dbraw/zinc/81/03/06/554810306.db2.gz	QAZMAJFAPFCGGN-NRXPLXKSSA-N	-1	3	484.597	5.125	50	30		JKEAHM
CC(C)Oc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000008920651	554817423	/nfs/dbraw/zinc/81/74/23/554817423.db2.gz	YHPJXIKAEWSTOV-QFIPXVFZSA-N	-1	3	476.598	6.011	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000008921273	554818163	/nfs/dbraw/zinc/81/81/63/554818163.db2.gz	IREHZMYVYVXWHU-QHCPKHFHSA-N	-1	3	486.549	5.405	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000008922670	554819551	/nfs/dbraw/zinc/81/95/51/554819551.db2.gz	QNZRRTAROZKUMM-QHCPKHFHSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000008922670	554819553	/nfs/dbraw/zinc/81/95/53/554819553.db2.gz	QNZRRTAROZKUMM-QHCPKHFHSA-N	-1	3	470.550	5.705	50	30		JKEAHM
CCN(CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(C)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000008922683	554819585	/nfs/dbraw/zinc/81/95/85/554819585.db2.gz	VDEBXGZUZYZFGQ-MRJHHRETSA-N	-1	3	461.389	5.065	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccccc3s2)c(OC)c1	ZINC000008926803	554824059	/nfs/dbraw/zinc/82/40/59/554824059.db2.gz	KVMSFQOHOZMRPR-JOCHJYFZSA-N	-1	3	472.522	5.096	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccccc3)sc2c1	ZINC000008934728	554829265	/nfs/dbraw/zinc/82/92/65/554829265.db2.gz	ODDHSRNXVYYNFC-JOCHJYFZSA-N	-1	3	458.514	5.781	50	30		JKEAHM
C=CCn1c(S[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)nnc1C1CCCCC1	ZINC000008943607	554832573	/nfs/dbraw/zinc/83/25/73/554832573.db2.gz	TUHGPZMJDSMTGV-AWEZNQCLSA-N	-1	3	467.620	5.923	50	30		JKEAHM
COc1cc(Br)cc(/C=N/c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1[O-]	ZINC000008952051	554835364	/nfs/dbraw/zinc/83/53/64/554835364.db2.gz	HUXPPFJLFCNIDG-WYMPLXKRSA-N	-1	3	459.727	5.820	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000008973537	554844529	/nfs/dbraw/zinc/84/45/29/554844529.db2.gz	OVGWBFWMGANURK-QFIPXVFZSA-N	-1	3	474.607	6.573	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000008973537	554844533	/nfs/dbraw/zinc/84/45/33/554844533.db2.gz	OVGWBFWMGANURK-QFIPXVFZSA-N	-1	3	474.607	6.573	50	30		JKEAHM
C=CCOc1cccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000008973578	554844541	/nfs/dbraw/zinc/84/45/41/554844541.db2.gz	UVGFVORYEKRPEI-QFIPXVFZSA-N	-1	3	488.590	6.014	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000008973720	554844873	/nfs/dbraw/zinc/84/48/73/554844873.db2.gz	XABOZNCHLSWGLU-QFIPXVFZSA-N	-1	3	458.514	5.835	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000008973631	554844894	/nfs/dbraw/zinc/84/48/94/554844894.db2.gz	SUPZFHKVMGTVPC-JOCHJYFZSA-N	-1	3	474.969	6.349	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(F)cc2)cc1	ZINC000008973627	554844935	/nfs/dbraw/zinc/84/49/35/554844935.db2.gz	FJOPRNYDCKBXMJ-QFIPXVFZSA-N	-1	3	458.514	5.835	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000008973670	554844954	/nfs/dbraw/zinc/84/49/54/554844954.db2.gz	XSYISEKFZYEZBJ-VWLOTQADSA-N	-1	3	498.604	6.520	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000008973670	554844955	/nfs/dbraw/zinc/84/49/55/554844955.db2.gz	XSYISEKFZYEZBJ-VWLOTQADSA-N	-1	3	498.604	6.520	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(Cl)c2)cc1	ZINC000008973675	554844963	/nfs/dbraw/zinc/84/49/63/554844963.db2.gz	MGPDVUWMTWERCV-QFIPXVFZSA-N	-1	3	490.968	6.050	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000008973719	554844966	/nfs/dbraw/zinc/84/49/66/554844966.db2.gz	XABOZNCHLSWGLU-JOCHJYFZSA-N	-1	3	458.514	5.835	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(C(C)C)cc3)nc2c(C)c1	ZINC000008973907	554845369	/nfs/dbraw/zinc/84/53/69/554845369.db2.gz	ZGGRKDFJKNQOIK-RUZDIDTESA-N	-1	3	482.605	6.819	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(C(C)C)cc3)nc2c(C)c1	ZINC000008973907	554845370	/nfs/dbraw/zinc/84/53/70/554845370.db2.gz	ZGGRKDFJKNQOIK-RUZDIDTESA-N	-1	3	482.605	6.819	50	30		JKEAHM
CC(C)c1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000008985432	554848767	/nfs/dbraw/zinc/84/87/67/554848767.db2.gz	MGYYHCYHNPPXJH-QHCPKHFHSA-N	-1	3	472.541	6.342	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(Cl)cc3)sc2c1	ZINC000008987727	554850137	/nfs/dbraw/zinc/85/01/37/554850137.db2.gz	OCTDSGXSGXEBKZ-NRFANRHFSA-N	-1	3	460.942	6.041	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C	ZINC000008996534	554857133	/nfs/dbraw/zinc/85/71/33/554857133.db2.gz	NQMFXQMGHSLKNE-HSZRJFAPSA-N	-1	3	460.530	5.380	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C	ZINC000008996534	554857137	/nfs/dbraw/zinc/85/71/37/554857137.db2.gz	NQMFXQMGHSLKNE-HSZRJFAPSA-N	-1	3	460.530	5.380	50	30		JKEAHM
COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)nc1C	ZINC000008996473	554857174	/nfs/dbraw/zinc/85/71/74/554857174.db2.gz	GIJSSNUGCGPVSJ-FQEVSTJZSA-N	-1	3	476.554	5.144	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000008996479	554857381	/nfs/dbraw/zinc/85/73/81/554857381.db2.gz	AWPJJKUOQWZVJV-HSZRJFAPSA-N	-1	3	472.566	6.358	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@@H]3c3cccs3)sc2c1	ZINC000008996673	554857525	/nfs/dbraw/zinc/85/75/25/554857525.db2.gz	GENSGOYAFZDWQL-NRFANRHFSA-N	-1	3	492.578	5.466	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(O)cc2)c1	ZINC000008996788	554857878	/nfs/dbraw/zinc/85/78/78/554857878.db2.gz	RBKZTKPRFMUWSX-QFIPXVFZSA-N	-1	3	472.522	5.102	50	30		JKEAHM
CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4ccccc4c3)C(=O)C(=O)N2c2cc(C)on2)c1	ZINC000008996955	554858390	/nfs/dbraw/zinc/85/83/90/554858390.db2.gz	ZVPBGEUJXYYMCB-RUZDIDTESA-N	-1	3	468.509	5.708	50	30		JKEAHM
C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1	ZINC000009007590	554860673	/nfs/dbraw/zinc/86/06/73/554860673.db2.gz	RCQYHROAIBVGFW-JOCHJYFZSA-N	-1	3	476.554	5.116	50	30		JKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)C)cc2)sc1C	ZINC000009007603	554860973	/nfs/dbraw/zinc/86/09/73/554860973.db2.gz	ITYYJSQQZFIHQJ-NRFANRHFSA-N	-1	3	466.990	6.320	50	30		JKEAHM
Cc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009007816	554861142	/nfs/dbraw/zinc/86/11/42/554861142.db2.gz	FZJCMAKKBVKECJ-NRFANRHFSA-N	-1	3	460.580	6.066	50	30		JKEAHM
Cc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009007816	554861144	/nfs/dbraw/zinc/86/11/44/554861144.db2.gz	FZJCMAKKBVKECJ-NRFANRHFSA-N	-1	3	460.580	6.066	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009007725	554861168	/nfs/dbraw/zinc/86/11/68/554861168.db2.gz	HMRKEINIJIHADT-QFIPXVFZSA-N	-1	3	485.521	5.604	50	30		JKEAHM
Cc1cccc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2cccc(Oc3ccccc3)c2)n1	ZINC000009007850	554861502	/nfs/dbraw/zinc/86/15/02/554861502.db2.gz	AWJUNLCKTSHNJU-XMMPIXPASA-N	-1	3	468.534	6.027	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(C)cc3)sc2c1	ZINC000009007864	554861532	/nfs/dbraw/zinc/86/15/32/554861532.db2.gz	FZJMRYXYNNDQOA-QFIPXVFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(C)cc3)sc2c1	ZINC000009007863	554861555	/nfs/dbraw/zinc/86/15/55/554861555.db2.gz	FZJMRYXYNNDQOA-JOCHJYFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000009007867	554861637	/nfs/dbraw/zinc/86/16/37/554861637.db2.gz	CQRCMEXGGVGVTJ-JOCHJYFZSA-N	-1	3	490.968	6.050	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009270341	555044548	/nfs/dbraw/zinc/04/45/48/555044548.db2.gz	DHQGGZGGIPPLNX-JOCHJYFZSA-N	-1	3	474.538	5.606	50	30		JKEAHM
Cc1c(C#N)c([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)sc1Cc1ccc2c(c1)OCO2	ZINC000009390686	555151928	/nfs/dbraw/zinc/15/19/28/555151928.db2.gz	WSZZLKYIQKWGSX-UHFFFAOYSA-N	-1	3	477.523	5.623	50	30		JKEAHM
CCOC(=O)N1CCc2c(C#N)c([N-]C(=O)c3ccc(-c4nc5ccccc5s4)s3)sc2C1	ZINC000009640067	555349805	/nfs/dbraw/zinc/34/98/05/555349805.db2.gz	AOODDOFZZVJNDK-UHFFFAOYSA-N	-1	3	494.623	5.725	50	30		JKEAHM
COc1ccc2c(c1)CCc1c(C(=O)[N-]c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)noc1-2	ZINC000009597960	555415383	/nfs/dbraw/zinc/41/53/83/555415383.db2.gz	WFZSOGLSFMECFP-HNNXBMFYSA-N	-1	3	461.587	5.785	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000013569311	555507598	/nfs/dbraw/zinc/50/75/98/555507598.db2.gz	VGKBPRXAXZDNGV-QHCPKHFHSA-N	-1	3	499.548	5.858	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccs2)cc1C	ZINC000013570302	555508357	/nfs/dbraw/zinc/50/83/57/555508357.db2.gz	HUIHNHMBGYIQIG-NRFANRHFSA-N	-1	3	476.579	5.766	50	30		JKEAHM
COc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1[O-]	ZINC000019848682	555510198	/nfs/dbraw/zinc/51/01/98/555510198.db2.gz	FLMUQYVKSWQFCH-XMMPIXPASA-N	-1	3	496.003	5.444	50	30		JKEAHM
COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Cl)c1[O-]	ZINC000019880989	555526303	/nfs/dbraw/zinc/52/63/03/555526303.db2.gz	KUQWWJYTNKBYGY-XDHUDOTRSA-N	-1	3	481.976	5.367	50	30		JKEAHM
N#Cc1c([N-]C(=O)c2cc(-c3ccco3)nc3onc(-c4ccccc4)c32)sc2c1CCCCC2	ZINC000013641360	555547540	/nfs/dbraw/zinc/54/75/40/555547540.db2.gz	YOZXUXIUTROHGN-UHFFFAOYSA-N	-1	3	480.549	6.604	50	30		JKEAHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(c1nc2ccccc2s1)c1ccc(C(C)C)cc1	ZINC000009981037	555581290	/nfs/dbraw/zinc/58/12/90/555581290.db2.gz	CNMCZHALPVQULM-UHFFFAOYSA-N	-1	3	470.598	5.894	50	30		JKEAHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1	ZINC000020006682	555581387	/nfs/dbraw/zinc/58/13/87/555581387.db2.gz	WOGZXBVNCMERPD-UHFFFAOYSA-N	-1	3	482.403	5.348	50	30		JKEAHM
CCCCCOc1ccc(/C(CCCC/C(=N\O)c2ccc(OCCCCC)cc2)=N/[O-])cc1	ZINC000013764735	555612868	/nfs/dbraw/zinc/61/28/68/555612868.db2.gz	PBPLCALUYRYQNP-QAVVBOBSSA-N	-1	3	468.638	7.442	50	30		JKEAHM
Cc1ccccc1OCc1nc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n[n-]1	ZINC000014066582	555675676	/nfs/dbraw/zinc/67/56/76/555675676.db2.gz	AGIAKHRCIFDREA-HNNXBMFYSA-N	-1	3	467.620	5.014	50	30		JKEAHM
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1	ZINC000014245720	555748495	/nfs/dbraw/zinc/74/84/95/555748495.db2.gz	ALBLSQIHGGKWTN-UHFFFAOYSA-N	-1	3	471.513	5.417	50	30		JKEAHM
Cc1noc2nc(-c3ccccc3)cc(C(=O)[N-]c3nnc(SCc4ccc(C#N)cc4)s3)c12	ZINC000022239803	555895180	/nfs/dbraw/zinc/89/51/80/555895180.db2.gz	ZSOHWVOPCPWVQS-UHFFFAOYSA-N	-1	3	484.566	5.466	50	30		JKEAHM
N#Cc1c([N-]C(=O)c2sc3ccccc3c2Cl)sc2c1CCN(Cc1ccccc1)C2	ZINC000023153771	556024517	/nfs/dbraw/zinc/02/45/17/556024517.db2.gz	KJRZUGLJAJQHEP-UHFFFAOYSA-N	-1	3	464.015	6.298	50	30		JKEAHM
O=c1c(C=NCc2ccco2)c(CSc2ccc(Cl)cc2)[n-]n1-c1nc2ccccc2s1	ZINC000017820585	556267296	/nfs/dbraw/zinc/26/72/96/556267296.db2.gz	BSHLQVWKWDHBFS-DHRITJCHSA-N	-1	3	481.002	6.345	50	30		JKEAHM
CCCSc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccc(CC)cc2)s1	ZINC000027022149	556271268	/nfs/dbraw/zinc/27/12/68/556271268.db2.gz	URFFAONQQJLCFI-HXUWFJFHSA-N	-1	3	479.627	5.694	50	30		JKEAHM
CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000027024042	556271934	/nfs/dbraw/zinc/27/19/34/556271934.db2.gz	OTBRCKFOURTDJC-HSZRJFAPSA-N	-1	3	475.566	5.831	50	30		JKEAHM
Cc1ccccc1C(=O)Nc1cccc(/N=C/c2cc(I)cc(C)c2[O-])c1	ZINC000027501154	556281718	/nfs/dbraw/zinc/28/17/18/556281718.db2.gz	ZUTRAWWYKASVBE-ZMOGYAJESA-N	-1	3	470.310	5.617	50	30		JKEAHM
Cc1ccc2nc(-c3cccc(/N=C/c4cc(I)cc(C)c4[O-])c3)oc2c1	ZINC000027501132	556281813	/nfs/dbraw/zinc/28/18/13/556281813.db2.gz	AIGVICPSAMEVHR-WYMPLXKRSA-N	-1	3	468.294	6.172	50	30		JKEAHM
Cc1cccc(-c2nc3cc(/N=C/c4cc(I)cc(C)c4[O-])ccc3o2)c1	ZINC000027519580	556282682	/nfs/dbraw/zinc/28/26/82/556282682.db2.gz	ISPUYDBUSLWKBR-WYMPLXKRSA-N	-1	3	468.294	6.172	50	30		JKEAHM
C/C(=N\[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cc2cc(Cl)cc(Cl)c2oc1=O	ZINC000027520375	556283306	/nfs/dbraw/zinc/28/33/06/556283306.db2.gz	XKHQKQNBEALCJW-YSURURNPSA-N	-1	3	475.313	5.968	50	30		JKEAHM
Cc1ccc(SCc2cc(=O)[n-]c(NC(=N)Nc3ccc(Oc4ccccc4)cc3)n2)cc1	ZINC000018096747	556287050	/nfs/dbraw/zinc/28/70/50/556287050.db2.gz	MDKCZBGKSIBOQQ-UHFFFAOYSA-N	-1	3	457.559	5.221	50	30		JKEAHM
O=C1C=CC(=[NH+][N-]c2ccc(Cl)cc2)C=C1C=Nc1ccc([O-])c(-c2nc3ccccc3s2)c1	ZINC000018142179	556293329	/nfs/dbraw/zinc/29/33/29/556293329.db2.gz	FSTMOOWCIFYMBQ-PDUDLSLDSA-N	-1	3	484.968	8.194	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@@H]2c1cccc(Oc2ccccc2)c1	ZINC000018195214	556302325	/nfs/dbraw/zinc/30/23/25/556302325.db2.gz	WRFNZIWXCQOPMT-RUZDIDTESA-N	-1	3	477.564	6.571	50	30		JKEAHM
O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)C[C@H](c3cccs3)C1)[C@H]2c1cc(Cl)ccc1O	ZINC000018196417	556303163	/nfs/dbraw/zinc/30/31/63/556303163.db2.gz	MZKXCIBMNINZIV-JLCFBVMHSA-N	-1	3	489.984	5.544	50	30		JKEAHM
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH][n-]c(=O)c2[C@H]3c2ccc(Cl)c(Cl)c2)cc1OC	ZINC000018196956	556303442	/nfs/dbraw/zinc/30/34/42/556303442.db2.gz	DDMVRTUSSKKFBD-RBZFPXEDSA-N	-1	3	486.355	5.398	50	30		JKEAHM
O=c1[n-][nH]c2c1[C@@H](c1cccc(Oc3ccccc3)c1)C1=C(C[C@H](c3cccs3)CC1=O)N2	ZINC000018196495	556303469	/nfs/dbraw/zinc/30/34/69/556303469.db2.gz	ZKPRSRBIUSGCSH-AOMKIAJQSA-N	-1	3	455.539	5.927	50	30		JKEAHM
O=c1[nH][n-]c2c1[C@@H](c1cccc(Oc3ccccc3)c1)C1=C(C[C@H](c3cccs3)CC1=O)N2	ZINC000018196495	556303471	/nfs/dbraw/zinc/30/34/71/556303471.db2.gz	ZKPRSRBIUSGCSH-AOMKIAJQSA-N	-1	3	455.539	5.927	50	30		JKEAHM
O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3cccs3)C1)[C@@H]2c1ccccc1Cl	ZINC000018196886	556303474	/nfs/dbraw/zinc/30/34/74/556303474.db2.gz	FEHVPPPJQFKAQL-NYHFZMIOSA-N	-1	3	473.985	5.839	50	30		JKEAHM
COc1cccc([C@@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1OC	ZINC000018197536	556304089	/nfs/dbraw/zinc/30/40/89/556304089.db2.gz	ZPXLVEMAKZDITR-HJPURHCSSA-N	-1	3	499.592	5.203	50	30		JKEAHM
Cc1nn(-c2ccccc2)c2c1[C@H](c1cc(Cl)ccc1[O-])C1=C(C[C@@H](c3cccs3)CC1=O)N2	ZINC000018197739	556304461	/nfs/dbraw/zinc/30/44/61/556304461.db2.gz	NLQRSUGGKOONTL-CPJLOUKISA-N	-1	3	488.012	6.559	50	30		JKEAHM
Cc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)cc1	ZINC000018198712	556305847	/nfs/dbraw/zinc/30/58/47/556305847.db2.gz	ZIHMFHMUMOSTGB-NRFANRHFSA-N	-1	3	460.942	6.041	50	30		JKEAHM
Cc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)cc1	ZINC000018198714	556305961	/nfs/dbraw/zinc/30/59/61/556305961.db2.gz	ZIHMFHMUMOSTGB-OAQYLSRUSA-N	-1	3	460.942	6.041	50	30		JKEAHM
CCc1cccc2c(C(=O)[C@H](OC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)c3ccccc3)c[nH]c21	ZINC000032739670	556479776	/nfs/dbraw/zinc/47/97/76/556479776.db2.gz	TXHIKTWKNJIRHX-MUUNZHRXSA-N	-1	3	481.552	5.007	50	30		JKEAHM
C=CCn1c(SCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)nnc1-c1ccccc1F	ZINC000008694067	562954622	/nfs/dbraw/zinc/95/46/22/562954622.db2.gz	KYVAMJHDAAJKBO-UHFFFAOYSA-N	-1	3	475.574	5.528	50	30	aggregator	JKEAHM
O=C1/C(=C\c2c([O-])ccc3ccccc32)S/C(=N\Cc2ccccc2)N1Cc1ccccc1	ZINC000038176067	563133004	/nfs/dbraw/zinc/13/30/04/563133004.db2.gz	FNBGJMIISSYRNC-GIEPNVOJSA-N	-1	3	450.563	6.218	50	30		JKEAHM
COc1cc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc(Br)c1[O-]	ZINC000008721666	569598682	/nfs/dbraw/zinc/59/86/82/569598682.db2.gz	LNIHIZXFUFYBKL-MXAYSNPKSA-N	-1	3	491.451	5.917	50	30		JKEAHM
O=C1/C(=C/c2c([O-])ccc3ccccc32)S/C(=N/Cc2ccccc2)N1Cc1ccccc1	ZINC000064474598	569618030	/nfs/dbraw/zinc/61/80/30/569618030.db2.gz	FNBGJMIISSYRNC-YQMYXEPDSA-N	-1	3	450.563	6.218	50	30		JKEAHM
CCCCCCCCOc1ccc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1OC	ZINC000070680831	569695708	/nfs/dbraw/zinc/69/57/08/569695708.db2.gz	PMFGUSIDXULIJE-WIOPSUGQSA-N	-1	3	450.579	5.604	50	30	biogenic	JKEAHM
C=C(C)COc1ccc([C@@H]2CC(=O)Oc3ccc4c(occ(-c5ccc([O-])cc5)c4=O)c32)cc1	ZINC000096221475	569738795	/nfs/dbraw/zinc/73/87/95/569738795.db2.gz	COTCIQINRUDRTE-QFIPXVFZSA-N	-1	3	454.478	5.562	50	30	biogenic	JKEAHM
C=C(C)COc1ccc([C@H]2CC(=O)Oc3ccc4c(occ(-c5ccc([O-])cc5)c4=O)c32)cc1OC	ZINC000096221840	569739278	/nfs/dbraw/zinc/73/92/78/569739278.db2.gz	LYUIAMVMYYRAIT-OAQYLSRUSA-N	-1	3	484.504	5.570	50	30	biogenic	JKEAHM
COc1cc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)cc(Br)c1[O-]	ZINC000096835978	569743290	/nfs/dbraw/zinc/74/32/90/569743290.db2.gz	UWEMHZFTJKRPJL-OVCLIPMQSA-N	-1	3	453.745	5.017	50	30		JKEAHM
CCCCCCCCN1C(=O)N(C2CCCCC2)[C@H](N([O-])C(=O)NC2CCCCC2)C1(C)C	ZINC000097949788	569747015	/nfs/dbraw/zinc/74/70/15/569747015.db2.gz	GMJLMVJYTZDXCC-HSZRJFAPSA-N	-1	3	464.695	6.255	50	30		JKEAHM
Cc1cc(Br)cc(/C=N/c2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)c1[O-]	ZINC000100025077	569751375	/nfs/dbraw/zinc/75/13/75/569751375.db2.gz	KWWNLZOLDMOWGE-MFKUBSTISA-N	-1	3	484.419	5.238	50	30		JKEAHM
[O-]c1ccccc1/C=N/c1cc(C(F)(F)F)ccc1OCC(F)(F)C(F)(F)C(F)(F)C(F)F	ZINC000100032862	569751623	/nfs/dbraw/zinc/75/16/23/569751623.db2.gz	BQPOXEQQFKSDQV-OWNKRRAQSA-N	-1	3	495.288	6.711	50	30		JKEAHM
CCCCCCCCCCCCCCCCOc1ccc(/C(=N/O)c2ccccc2)c([O-])c1	ZINC000100167159	569754679	/nfs/dbraw/zinc/75/46/79/569754679.db2.gz	OKXXONGMBKTKEL-QVIHXGFCSA-N	-1	3	453.667	8.479	50	30		JKEAHM
CCCCCCCCCCCCCCCCOc1ccc(/C(=N/[O-])c2ccccc2)c(O)c1	ZINC000100167159	569754682	/nfs/dbraw/zinc/75/46/82/569754682.db2.gz	OKXXONGMBKTKEL-QVIHXGFCSA-N	-1	3	453.667	8.479	50	30		JKEAHM
CCOc1ccc(N2C(=O)C([O-])=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000100241718	569756183	/nfs/dbraw/zinc/75/61/83/569756183.db2.gz	NCPFROAQCNLQJX-OBGMXFBLSA-N	-1	3	459.929	5.921	50	30		JKEAHM
CCOc1ccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000100241718	569756184	/nfs/dbraw/zinc/75/61/84/569756184.db2.gz	NCPFROAQCNLQJX-OBGMXFBLSA-N	-1	3	459.929	5.921	50	30		JKEAHM
O=C(Nc1cccc(C(F)(F)F)c1)C(=N[N-]c1cccc(C(F)(F)F)c1)C(=O)C(F)(F)F	ZINC000100405152	569759261	/nfs/dbraw/zinc/75/92/61/569759261.db2.gz	ZNZDDRQHMWUTJB-YNFMAFFXSA-N	-1	3	471.279	5.262	50	30		JKEAHM
COc1cc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc(Br)c1[O-]	ZINC000100406744	569759367	/nfs/dbraw/zinc/75/93/67/569759367.db2.gz	ADPFLIDQLNSMDP-IBGZPJMESA-N	-1	3	493.394	5.023	50	30		JKEAHM
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cc(Cl)c([O-])c(OC)c1	ZINC000100552819	569764300	/nfs/dbraw/zinc/76/43/00/569764300.db2.gz	MHNRPFLKBAEXEC-BXKMTCNYSA-N	-1	3	481.976	5.369	50	30		JKEAHM
CCOc1ccc(Br)c(/C=N/c2ccc(-c3cc4ccccc4oc3=O)cc2)c1[O-]	ZINC000100933769	569776407	/nfs/dbraw/zinc/77/64/07/569776407.db2.gz	DKTCILMOHWKJBY-VULFUBBASA-N	-1	3	464.315	6.077	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000101069793	569781074	/nfs/dbraw/zinc/78/10/74/569781074.db2.gz	ZKQKOQMEVGNRFD-ZHHPLPSFSA-N	-1	3	491.385	5.450	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(N(C)C)cc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000101069793	569781075	/nfs/dbraw/zinc/78/10/75/569781075.db2.gz	ZKQKOQMEVGNRFD-ZHHPLPSFSA-N	-1	3	491.385	5.450	50	30		JKEAHM
CN(C)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000101069964	569781112	/nfs/dbraw/zinc/78/11/12/569781112.db2.gz	IVDKVZHEYGZEMJ-HOGKFDNTSA-N	-1	3	477.358	5.141	50	30		JKEAHM
CN(C)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000101069964	569781113	/nfs/dbraw/zinc/78/11/13/569781113.db2.gz	IVDKVZHEYGZEMJ-HOGKFDNTSA-N	-1	3	477.358	5.141	50	30		JKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2cccc(Br)c2)sc1C	ZINC000101100180	569782659	/nfs/dbraw/zinc/78/26/59/569782659.db2.gz	ZIELOSONNMEHMJ-WOOAAIBNSA-N	-1	3	483.387	5.457	50	30		JKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2cccc(Br)c2)sc1C	ZINC000101100181	569782675	/nfs/dbraw/zinc/78/26/75/569782675.db2.gz	ZIELOSONNMEHMJ-LFVOPCPISA-N	-1	3	483.387	5.457	50	30		JKEAHM
C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000101287243	569789384	/nfs/dbraw/zinc/78/93/84/569789384.db2.gz	IDIZQTJSQMBZLD-NXLSWJSLSA-N	-1	3	472.541	5.472	50	30		JKEAHM
C=CCOc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000101294521	569790099	/nfs/dbraw/zinc/79/00/99/569790099.db2.gz	AEOUWHRTNSNYLY-MOBKVPTQSA-N	-1	3	488.590	5.857	50	30		JKEAHM
O=C(NCc1ccccc1Cl)c1ccc2nc(C=C([O-])c3ccc(Cl)cc3)c(=O)[nH]c2c1	ZINC000101356917	569794180	/nfs/dbraw/zinc/79/41/80/569794180.db2.gz	QKVFKMAIWFLALL-MTJSOVHGSA-N	-1	3	466.324	5.054	50	30		JKEAHM
CCN(CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(C)cc1	ZINC000102733336	569818524	/nfs/dbraw/zinc/81/85/24/569818524.db2.gz	GKOBKAUOSFDZRT-CZNAVJSXSA-N	-1	3	478.633	5.102	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccccc3)sc2c1	ZINC000102857226	569824507	/nfs/dbraw/zinc/82/45/07/569824507.db2.gz	JSUFXKRREUKEIE-MRJHHRETSA-N	-1	3	460.942	5.884	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)cc1OC	ZINC000102865526	569825603	/nfs/dbraw/zinc/82/56/03/569825603.db2.gz	MEBBSVOCNDZUJP-AYWGPLOBSA-N	-1	3	486.549	5.248	50	30		JKEAHM
O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	ZINC000102928200	569827188	/nfs/dbraw/zinc/82/71/88/569827188.db2.gz	FEZNWETVHAQXRK-SQMUXHPUSA-N	-1	3	466.748	5.248	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102928977	569827292	/nfs/dbraw/zinc/82/72/92/569827292.db2.gz	UJSAITMZOOQINS-HOGKFDNTSA-N	-1	3	474.607	6.416	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102928977	569827294	/nfs/dbraw/zinc/82/72/94/569827294.db2.gz	UJSAITMZOOQINS-HOGKFDNTSA-N	-1	3	474.607	6.416	50	30		JKEAHM
CCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102929218	569827560	/nfs/dbraw/zinc/82/75/60/569827560.db2.gz	VZPPQYFQXZVONH-KQAPWQHSSA-N	-1	3	498.604	6.247	50	30		JKEAHM
CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102929218	569827562	/nfs/dbraw/zinc/82/75/62/569827562.db2.gz	VZPPQYFQXZVONH-KQAPWQHSSA-N	-1	3	498.604	6.247	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(F)c2)cc1	ZINC000102929473	569827684	/nfs/dbraw/zinc/82/76/84/569827684.db2.gz	KMOBNJWKWPWJDE-HOGKFDNTSA-N	-1	3	474.513	5.379	50	30		JKEAHM
COc1cccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)c1	ZINC000102930013	569827977	/nfs/dbraw/zinc/82/79/77/569827977.db2.gz	KFRIPSJDSUEFPU-MOBKVPTQSA-N	-1	3	456.523	5.240	50	30		JKEAHM
COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccccc3s2)c1	ZINC000102930013	569827978	/nfs/dbraw/zinc/82/79/78/569827978.db2.gz	KFRIPSJDSUEFPU-MOBKVPTQSA-N	-1	3	456.523	5.240	50	30		JKEAHM
CCCCCCCCc1ccc(-c2ccc(C3=N/C(=C\c4cc(Cl)ccc4[O-])C(=O)O3)cc2)cc1	ZINC000108357706	569859442	/nfs/dbraw/zinc/85/94/42/569859442.db2.gz	YEODJEHPINNEBW-OOAXWGSJSA-N	-1	3	488.027	7.960	50	30		JKEAHM
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@]2(O)C/N=C/c1cc(Br)ccc1[O-]	ZINC000118918869	569863489	/nfs/dbraw/zinc/86/34/89/569863489.db2.gz	NLXAIRBLZJOAOY-IGTNWEPJSA-N	-1	3	488.510	6.738	50	30	biogenic	JKEAHM
N#Cc1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccc(Cl)cc1)[C@@H]3c1ccccc1)CCCC2	ZINC000238900214	570047448	/nfs/dbraw/zinc/04/74/48/570047448.db2.gz	HZEMEAFFKBPSFH-YTFSRNRJSA-N	-1	3	489.984	5.203	50	30		JKEAHM
CCOc1cc(Br)c(Br)c(C=Nc2cc(Cl)ccc2Cl)c1[O-]	ZINC000252589071	570083816	/nfs/dbraw/zinc/08/38/16/570083816.db2.gz	AGUBZKKIPNJWSJ-UHFFFAOYSA-N	-1	3	467.972	6.373	50	30		JKEAHM
COc1cc(Br)c(Br)c(C=Nc2c([O-])ccc3ccccc32)c1O	ZINC000252598397	570084811	/nfs/dbraw/zinc/08/48/11/570084811.db2.gz	CZSUZFRGXHMLER-UHFFFAOYSA-N	-1	3	451.114	5.535	50	30		JKEAHM
CCOc1cc(Br)cc(C=Nc2ccc3oc(-c4ccc(CC)cc4)nc3c2)c1[O-]	ZINC000252601534	570085190	/nfs/dbraw/zinc/08/51/90/570085190.db2.gz	FBISQEWGLGAGLS-UHFFFAOYSA-N	-1	3	465.347	6.675	50	30		JKEAHM
CCOc1cc(Br)cc(C=Nc2cccc(-c3nc4ccc(C)cc4o3)c2)c1[O-]	ZINC000252603391	570085222	/nfs/dbraw/zinc/08/52/22/570085222.db2.gz	FQEMZENHNBSNTK-UHFFFAOYSA-N	-1	3	451.320	6.421	50	30		JKEAHM
[O-]c1ccc2ccccc2c1C=Nc1cc(C(F)(F)F)ccc1Oc1ccccc1Cc1ccccc1	ZINC000252608874	570085913	/nfs/dbraw/zinc/08/59/13/570085913.db2.gz	HONQIVOTEHMXAO-UHFFFAOYSA-N	-1	3	497.516	8.698	50	30		JKEAHM
[O-]c1ccccc1C=Nc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1	ZINC000252620636	570087179	/nfs/dbraw/zinc/08/71/79/570087179.db2.gz	MIJDKHNIXLAXCG-UHFFFAOYSA-N	-1	3	474.685	6.209	50	30		JKEAHM
COc1cc(/C=C2\SC(=Nc3cccc(C)c3C)N(c3cccc(C)c3C)C2=O)cc(Cl)c1[O-]	ZINC000252623402	570087807	/nfs/dbraw/zinc/08/78/07/570087807.db2.gz	OQJJVIOVWVAPAB-ZBCDSKEMSA-N	-1	3	493.028	7.096	50	30		JKEAHM
CC(=CN=Nc1nc([N-]c2ccc([N+](=O)[O-])cc2)nc(NCc2ccccc2)n1)Cc1ccccc1	ZINC000252625546	570088288	/nfs/dbraw/zinc/08/82/88/570088288.db2.gz	QMJSRBFBIAIWFJ-BCXMZQODSA-N	-1	3	480.532	5.637	50	30		JKEAHM
CCOc1cc(Br)c(Br)c(C=Nc2cccc(C(F)(F)F)c2)c1[O-]	ZINC000252628129	570088763	/nfs/dbraw/zinc/08/87/63/570088763.db2.gz	SIPXRIJMUUJNGD-UHFFFAOYSA-N	-1	3	467.079	6.085	50	30		JKEAHM
CCCCCCCn1c2ccccc2nc1N=Cc1c2c(cc(C(C)(C)C)c1[O-])oc1c2CCCC1	ZINC000252627944	570088811	/nfs/dbraw/zinc/08/88/11/570088811.db2.gz	SERIRDGCAPIVKX-UHFFFAOYSA-N	-1	3	485.672	8.385	50	30		JKEAHM
[O-]c1ccc2ccccc2c1C=Nc1cc(C(F)(F)F)ccc1Oc1ccccc1-c1ccccc1	ZINC000252629548	570089135	/nfs/dbraw/zinc/08/91/35/570089135.db2.gz	UIUWTRXXCNBYSH-UHFFFAOYSA-N	-1	3	483.489	8.774	50	30		JKEAHM
COc1ccc(-c2nc3cc(N=Cc4c([O-])cc(C)c(Cl)c4C)ccc3o2)cc1Br	ZINC000252629873	570089172	/nfs/dbraw/zinc/08/91/72/570089172.db2.gz	UPEKROBWTIFBBJ-UHFFFAOYSA-N	-1	3	485.765	6.992	50	30		JKEAHM
Cc1cccc(N=C2S/C(=C/c3cc([O-])ccc3Br)C(=O)N2c2cccc(C)c2)c1	ZINC000252633169	570089507	/nfs/dbraw/zinc/08/95/07/570089507.db2.gz	WAWFLPIWEILARW-IGUOQJQCSA-N	-1	3	479.399	6.580	50	30		JKEAHM
COc1ccccc1-c1nc2cc(N=Cc3cc(Br)cc(OC)c3[O-])ccc2o1	ZINC000252634437	570089719	/nfs/dbraw/zinc/08/97/19/570089719.db2.gz	WNRYRHOCAQQQPQ-UHFFFAOYSA-N	-1	3	453.292	5.731	50	30		JKEAHM
CCOc1cc(Br)cc(C=Nc2ccc(NC(=O)c3cccc(C)c3)cc2)c1[O-]	ZINC000252638263	570090257	/nfs/dbraw/zinc/09/02/57/570090257.db2.gz	YAPZGEPYISVODE-UHFFFAOYSA-N	-1	3	453.336	5.865	50	30		JKEAHM
CCOC(=O)c1c(-c2ccc(C)cc2C)csc1N=Cc1c2c(ccc1[O-])oc1c2CCCC1	ZINC000252643292	570090691	/nfs/dbraw/zinc/09/06/91/570090691.db2.gz	ZTWMMNISFPNCHJ-UHFFFAOYSA-N	-1	3	473.594	7.290	50	30		JKEAHM
CC(N=Nc1nc2ccc(Br)cc2c(-c2ccccc2)n1)c1c([O-])ccc2ccccc21	ZINC000252678926	570094162	/nfs/dbraw/zinc/09/41/62/570094162.db2.gz	HSVWVJCZRWETLY-UHFFFAOYSA-N	-1	3	483.369	6.754	50	30		JKEAHM
Cc1ccccc1CN1CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])CC1	ZINC000328578938	570179021	/nfs/dbraw/zinc/17/90/21/570179021.db2.gz	ADDGPGXTVAAPAS-UHFFFAOYSA-N	-1	3	470.569	5.157	50	30		JKEAHM
Cc1cccc(CN2CCC(NC(=O)OCC3c4ccccc4-c4ccccc43)(C(=O)[O-])CC2)c1	ZINC000328579057	570179039	/nfs/dbraw/zinc/17/90/39/570179039.db2.gz	LZIUEQAGWKJAKQ-UHFFFAOYSA-N	-1	3	470.569	5.157	50	30		JKEAHM
COc1cc(Br)cc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c1[O-]	ZINC000003066625	194223697	/nfs/dbraw/zinc/22/36/97/194223697.db2.gz	CTKXRDNFBGURGB-KIBLKLHPSA-N	-1	3	492.156	7.029	50	30		JKEAHM
Cc1ccc2oc(-c3cccc(/N=C/c4cc(C)cc(I)c4[O-])c3)nc2c1	ZINC000003050818	194218946	/nfs/dbraw/zinc/21/89/46/194218946.db2.gz	GXYUWEQLTGCTNY-WYMPLXKRSA-N	-1	3	468.294	6.172	50	30		JKEAHM
CC(C)COc1nc2ccccc2nc1[N-]c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N	ZINC000003199725	194237949	/nfs/dbraw/zinc/23/79/49/194237949.db2.gz	JGJICSRRQDLSOE-UHFFFAOYSA-N	-1	3	460.537	7.207	50	30		JKEAHM
CCc1c(C)sc([N-]C(=O)c2cc3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3n2)c1C#N	ZINC000003629539	194343843	/nfs/dbraw/zinc/34/38/43/194343843.db2.gz	FJWXTLULKTVFAY-UHFFFAOYSA-N	-1	3	489.910	6.125	50	30		JKEAHM
Cc1cccc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(Cl)cc3)nc21	ZINC000012634231	195065798	/nfs/dbraw/zinc/06/57/98/195065798.db2.gz	KBKPGUGRKZPKJJ-OAQYLSRUSA-N	-1	3	460.942	6.041	50	30		JKEAHM
C=CCOC[C@@H](O)CN(Cc1nc(=O)c2c(-c3cccc(Cl)c3)csc2[n-]1)C1CCCCC1	ZINC000036207935	128299788	/nfs/dbraw/zinc/29/97/88/128299788.db2.gz	SPBGIWYILZOSJD-FQEVSTJZSA-N	-1	3	488.053	5.003	50	30		JKEAHM
COc1ccccc1-c1cc(C(F)(F)F)n2ncc(C(=O)[N-]c3sc4c(c3C#N)CCCC4)c2n1	ZINC000012844915	195151781	/nfs/dbraw/zinc/15/17/81/195151781.db2.gz	IHHQCNUFABGPMM-UHFFFAOYSA-N	-1	3	497.502	5.488	50	30		JKEAHM
Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC(C)C)cc3)[C@H]2c2ccc(C(C)C)cc2)s1	ZINC000102369327	130124166	/nfs/dbraw/zinc/12/41/66/130124166.db2.gz	JOIIEIPQHWEIIO-HOGKFDNTSA-N	-1	3	477.586	5.383	50	30		JKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC(C)C)cc3)[C@H]2c2ccc(C(C)C)cc2)no1	ZINC000102369337	130124224	/nfs/dbraw/zinc/12/42/24/130124224.db2.gz	HMEAAQVTTGFBDC-SBXHHDGASA-N	-1	3	460.530	5.520	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)cc1	ZINC000102484600	130138403	/nfs/dbraw/zinc/13/84/03/130138403.db2.gz	HJFMTGKOGZUQIY-MOBKVPTQSA-N	-1	3	456.523	5.240	50	30		JKEAHM
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccccc3s2)cc1	ZINC000102484600	130138408	/nfs/dbraw/zinc/13/84/08/130138408.db2.gz	HJFMTGKOGZUQIY-MOBKVPTQSA-N	-1	3	456.523	5.240	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2F)cc1	ZINC000102484767	130139006	/nfs/dbraw/zinc/13/90/06/130139006.db2.gz	MMLQPVKQTFYXMB-COUQNMRISA-N	-1	3	488.540	5.687	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102488197	130142100	/nfs/dbraw/zinc/14/21/00/130142100.db2.gz	XCRZYVOYEBSMMR-MOBKVPTQSA-N	-1	3	490.968	5.893	50	30		JKEAHM
CCN(CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(OC)cc2C)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000102489346	130142847	/nfs/dbraw/zinc/14/28/47/130142847.db2.gz	FEVHXGNRKHNIOJ-HOGKFDNTSA-N	-1	3	491.415	5.074	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2)cc1	ZINC000102490094	130144062	/nfs/dbraw/zinc/14/40/62/130144062.db2.gz	YAAAJCVYGKUIJT-ZHHPLPSFSA-N	-1	3	470.550	5.630	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3cccc(Cl)c3)sc2c1	ZINC000102500038	130153889	/nfs/dbraw/zinc/15/38/89/130153889.db2.gz	VVSAVHQWLQBMOL-MRJHHRETSA-N	-1	3	460.942	5.884	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(C)cc3)sc2c1	ZINC000102504365	130158317	/nfs/dbraw/zinc/15/83/17/130158317.db2.gz	VRYOJCFXSNVOLB-MOBKVPTQSA-N	-1	3	456.523	5.240	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102505127	130158932	/nfs/dbraw/zinc/15/89/32/130158932.db2.gz	AZKXKTNNOBSCNT-NXLSWJSLSA-N	-1	3	468.578	6.354	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102505127	130158935	/nfs/dbraw/zinc/15/89/35/130158935.db2.gz	AZKXKTNNOBSCNT-NXLSWJSLSA-N	-1	3	468.578	6.354	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(C(C)C)cc3)nc2c(C)c1	ZINC000102504890	130159002	/nfs/dbraw/zinc/15/90/02/130159002.db2.gz	IMMQFLMKCQUHAV-QKJBWNOYSA-N	-1	3	482.605	6.663	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C(C)C)cc3)nc2c(C)c1	ZINC000102504890	130159005	/nfs/dbraw/zinc/15/90/05/130159005.db2.gz	IMMQFLMKCQUHAV-QKJBWNOYSA-N	-1	3	482.605	6.663	50	30		JKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)C)cc2)sc1C	ZINC000102507585	130161917	/nfs/dbraw/zinc/16/19/17/130161917.db2.gz	GJQFWRLROUOCDO-JBCNATCCSA-N	-1	3	466.990	6.163	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000102507666	130162117	/nfs/dbraw/zinc/16/21/17/130162117.db2.gz	HQLIABGYUMNZAH-AYWGPLOBSA-N	-1	3	454.551	5.848	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000102507666	130162120	/nfs/dbraw/zinc/16/21/20/130162120.db2.gz	HQLIABGYUMNZAH-AYWGPLOBSA-N	-1	3	454.551	5.848	50	30		JKEAHM
CC(C)(C)c1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000102521208	130173695	/nfs/dbraw/zinc/17/36/95/130173695.db2.gz	YORGSINLQKBSEJ-JBCNATCCSA-N	-1	3	492.597	6.421	50	30		JKEAHM
COc1cccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1OC	ZINC000102523164	130175489	/nfs/dbraw/zinc/17/54/89/130175489.db2.gz	QUUZZYNVJZGGNN-MOBKVPTQSA-N	-1	3	486.549	5.248	50	30		JKEAHM
COc1ccccc1[C@H]1C(=C([O-])c2ccc(C)cc2)C(=O)C(=O)N1c1nc2ccc(C)cc2s1	ZINC000102524298	130176515	/nfs/dbraw/zinc/17/65/15/130176515.db2.gz	YGPLIFMVKJUYLV-AYWGPLOBSA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1ccccc1[C@H]1C(C(=O)c2ccc(C)cc2)=C([O-])C(=O)N1c1nc2ccc(C)cc2s1	ZINC000102524298	130176516	/nfs/dbraw/zinc/17/65/16/130176516.db2.gz	YGPLIFMVKJUYLV-AYWGPLOBSA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000102525948	130178388	/nfs/dbraw/zinc/17/83/88/130178388.db2.gz	YGYNBQJKRKRKQH-SBXHHDGASA-N	-1	3	498.604	6.229	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000102525948	130178390	/nfs/dbraw/zinc/17/83/90/130178390.db2.gz	YGYNBQJKRKRKQH-SBXHHDGASA-N	-1	3	498.604	6.229	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccc(C)cc3)sc2c1	ZINC000102528444	130180904	/nfs/dbraw/zinc/18/09/04/130180904.db2.gz	USIJYJLHIBETBV-ZHHPLPSFSA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102530585	130184171	/nfs/dbraw/zinc/18/41/71/130184171.db2.gz	CWSMNHSVMDSKAB-SBXHHDGASA-N	-1	3	484.577	6.055	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102530585	130184172	/nfs/dbraw/zinc/18/41/72/130184172.db2.gz	CWSMNHSVMDSKAB-SBXHHDGASA-N	-1	3	484.577	6.055	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102535490	130190244	/nfs/dbraw/zinc/19/02/44/130190244.db2.gz	YVHVGGHNDAOMJH-HOGKFDNTSA-N	-1	3	476.598	5.692	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102535490	130190247	/nfs/dbraw/zinc/19/02/47/130190247.db2.gz	YVHVGGHNDAOMJH-HOGKFDNTSA-N	-1	3	476.598	5.692	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102541533	130197413	/nfs/dbraw/zinc/19/74/13/130197413.db2.gz	VEHVHBHLPPBNKA-AYWGPLOBSA-N	-1	3	490.625	6.082	50	30		JKEAHM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102541533	130197416	/nfs/dbraw/zinc/19/74/16/130197416.db2.gz	VEHVHBHLPPBNKA-AYWGPLOBSA-N	-1	3	490.625	6.082	50	30		JKEAHM
O=C(C=Cc1ccccc1)C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102542267	130198055	/nfs/dbraw/zinc/19/80/55/130198055.db2.gz	VCYOSUKANVUELY-RIGPGGCQSA-N	-1	3	494.425	5.796	50	30		JKEAHM
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1=C([O-])C=Cc1ccccc1	ZINC000102542267	130198058	/nfs/dbraw/zinc/19/80/58/130198058.db2.gz	VCYOSUKANVUELY-RIGPGGCQSA-N	-1	3	494.425	5.796	50	30		JKEAHM
O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	ZINC000102548133	130202014	/nfs/dbraw/zinc/20/20/14/130202014.db2.gz	WJKOFGVMZDRSOV-WOOAAIBNSA-N	-1	3	462.716	5.862	50	30		JKEAHM
CCOc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000102580653	130216438	/nfs/dbraw/zinc/21/64/38/130216438.db2.gz	IBNYBJIDOIQODN-HOGKFDNTSA-N	-1	3	478.342	5.474	50	30		JKEAHM
CCOc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000102580657	130216528	/nfs/dbraw/zinc/21/65/28/130216528.db2.gz	IBNYBJIDOIQODN-MOBKVPTQSA-N	-1	3	478.342	5.474	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000102680615	130236340	/nfs/dbraw/zinc/23/63/40/130236340.db2.gz	VNLXBWGQRVXUKG-HOGKFDNTSA-N	-1	3	451.444	5.949	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@@H]3c3ccccc3)sc2c1	ZINC000102735278	130279802	/nfs/dbraw/zinc/27/98/02/130279802.db2.gz	WUPTWVVBASPRJK-AYWGPLOBSA-N	-1	3	486.549	5.248	50	30		JKEAHM
C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1	ZINC000102735436	130280095	/nfs/dbraw/zinc/28/00/95/130280095.db2.gz	GPJGTWMOIIVBCG-IXBTYZTBSA-N	-1	3	474.582	5.390	50	30		JKEAHM
Cc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102771007	130295385	/nfs/dbraw/zinc/29/53/85/130295385.db2.gz	ZQYWRMVSXFPHDS-NEMSTITPSA-N	-1	3	496.588	5.863	50	30		JKEAHM
Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102771007	130295387	/nfs/dbraw/zinc/29/53/87/130295387.db2.gz	ZQYWRMVSXFPHDS-NEMSTITPSA-N	-1	3	496.588	5.863	50	30		JKEAHM
Cc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102771004	130295410	/nfs/dbraw/zinc/29/54/10/130295410.db2.gz	ZQYWRMVSXFPHDS-OTQMSCLFSA-N	-1	3	496.588	5.863	50	30		JKEAHM
Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102771004	130295414	/nfs/dbraw/zinc/29/54/14/130295414.db2.gz	ZQYWRMVSXFPHDS-OTQMSCLFSA-N	-1	3	496.588	5.863	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3)sc2c1	ZINC000102771392	130295872	/nfs/dbraw/zinc/29/58/72/130295872.db2.gz	VJDAGIGMGJIMDN-YMMFOPJESA-N	-1	3	482.561	5.554	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3)sc2c1	ZINC000102771392	130295875	/nfs/dbraw/zinc/29/58/75/130295875.db2.gz	VJDAGIGMGJIMDN-YMMFOPJESA-N	-1	3	482.561	5.554	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccs3)sc2c1	ZINC000102771534	130296835	/nfs/dbraw/zinc/29/68/35/130296835.db2.gz	WDXQDGJEOQSLJQ-JVZIKCOHSA-N	-1	3	488.590	5.616	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cccc(Br)c2)cc1OC	ZINC000102801566	130310845	/nfs/dbraw/zinc/31/08/45/130310845.db2.gz	SLXXTHBRJAAAAP-MOBKVPTQSA-N	-1	3	494.341	5.093	50	30		JKEAHM
COc1ccccc1[C@H]1C(=C([O-])c2cccs2)C(=O)C(=O)N1c1nc2ccc(C)cc2s1	ZINC000102859031	130329397	/nfs/dbraw/zinc/32/93/97/130329397.db2.gz	GPKZMRMAPWARKL-NHFXJNLRSA-N	-1	3	462.552	5.301	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(C)cc3)sc2c1	ZINC000102862260	130333865	/nfs/dbraw/zinc/33/38/65/130333865.db2.gz	UOGNYWGOGLQJFA-YDJIHCHBSA-N	-1	3	462.552	5.301	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000102862285	130334425	/nfs/dbraw/zinc/33/44/25/130334425.db2.gz	OXVPNGMYJTVOGP-NXLSWJSLSA-N	-1	3	482.605	6.529	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000102862285	130334429	/nfs/dbraw/zinc/33/44/29/130334429.db2.gz	OXVPNGMYJTVOGP-NXLSWJSLSA-N	-1	3	482.605	6.529	50	30		JKEAHM
COc1cccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000102865189	130337681	/nfs/dbraw/zinc/33/76/81/130337681.db2.gz	SGLIYAPLBMRWQQ-YDJIHCHBSA-N	-1	3	462.552	5.301	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102877357	130350388	/nfs/dbraw/zinc/35/03/88/130350388.db2.gz	VZTIJQBJXBNQKR-SADKCHQCSA-N	-1	3	471.494	5.139	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102877710	130350987	/nfs/dbraw/zinc/35/09/87/130350987.db2.gz	DVBKZBDKTUBJBV-MOBKVPTQSA-N	-1	3	490.606	6.116	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102879861	130355124	/nfs/dbraw/zinc/35/51/24/130355124.db2.gz	GSQRSFCZXKZBKG-GAPOMRBKSA-N	-1	3	496.632	6.971	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102879861	130355127	/nfs/dbraw/zinc/35/51/27/130355127.db2.gz	GSQRSFCZXKZBKG-GAPOMRBKSA-N	-1	3	496.632	6.971	50	30		JKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)sc1C	ZINC000102882934	130362143	/nfs/dbraw/zinc/36/21/43/130362143.db2.gz	RIHXUNIHLUDUSV-JBCNATCCSA-N	-1	3	481.017	6.337	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102884140	130365209	/nfs/dbraw/zinc/36/52/09/130365209.db2.gz	VMWGITFZTRXDSC-IUKMQXEJSA-N	-1	3	482.605	6.663	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102884140	130365211	/nfs/dbraw/zinc/36/52/11/130365211.db2.gz	VMWGITFZTRXDSC-IUKMQXEJSA-N	-1	3	482.605	6.663	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccccc2)cc1	ZINC000102889746	130370990	/nfs/dbraw/zinc/37/09/90/130370990.db2.gz	KNUAAKBPLFWAKV-SBXHHDGASA-N	-1	3	484.577	5.884	50	30		JKEAHM
CCOc1ccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000102892451	130374834	/nfs/dbraw/zinc/37/48/34/130374834.db2.gz	ZNTKJGAJVYNHSF-BSQLHRRVSA-N	-1	3	485.536	5.285	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3)sc2c1	ZINC000102897384	130379775	/nfs/dbraw/zinc/37/97/75/130379775.db2.gz	TUQMNKGVQIPMTN-WRPQUVRJSA-N	-1	3	498.560	5.255	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000102926678	130398097	/nfs/dbraw/zinc/39/80/97/130398097.db2.gz	YZYWSPAWAHYTQF-COUQNMRISA-N	-1	3	488.540	5.687	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000102933173	130414764	/nfs/dbraw/zinc/41/47/64/130414764.db2.gz	BBEYTQMGOHPWPO-MRJHHRETSA-N	-1	3	471.494	5.139	50	30		JKEAHM
C/C(=N\N(C)c1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)n1)c1ccccc1[O-]	ZINC000012378744	518457743	/nfs/dbraw/zinc/45/77/43/518457743.db2.gz	CLNKIAJQLZLLCD-STBIYBPSSA-N	-1	3	473.374	6.139	50	30		JKEAHM
CC(N=Nc1nc(-c2ccc(Br)cc2)cc(-c2ccccc2[O-])n1)c1ccccc1	ZINC000012362641	518464909	/nfs/dbraw/zinc/46/49/09/518464909.db2.gz	OAKNVYQDMHBQJW-LQKURTRISA-N	-1	3	459.347	6.115	50	30		JKEAHM
C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)[N-]c2nnc(-c3ccccc3)o2)c1	ZINC000009127920	518816675	/nfs/dbraw/zinc/81/66/75/518816675.db2.gz	NYXHBFRLLMKEPY-UHFFFAOYSA-N	-1	3	494.960	5.024	50	30		JKEAHM
CC(C)(C)c1cc(/C(=N\[O-])c2nc3ccccc3n2Cc2ccccc2)cc(C(C)(C)C)c1O	ZINC000004467457	518989724	/nfs/dbraw/zinc/98/97/24/518989724.db2.gz	QZPCFLGBTLLMJY-QCKNELIISA-N	-1	3	455.602	6.612	50	30		JKEAHM
C=CCOC[C@H](O)CN(Cc1nc(=O)c2c(-c3cccc(Cl)c3)csc2[n-]1)C1CCCCC1	ZINC000036207934	518996781	/nfs/dbraw/zinc/99/67/81/518996781.db2.gz	SPBGIWYILZOSJD-HXUWFJFHSA-N	-1	3	488.053	5.003	50	30		JKEAHM
CC(C)(C)c1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000009233045	519049536	/nfs/dbraw/zinc/04/95/36/519049536.db2.gz	HEPVPXXZEONPBY-NRFANRHFSA-N	-1	3	492.597	6.577	50	30		JKEAHM
C=CCSc1ncc(Cl)c(C(=O)[N-]c2scc(-c3ccc(C)cc3)c2C(=O)OCC)n1	ZINC000008916157	519083933	/nfs/dbraw/zinc/08/39/33/519083933.db2.gz	XEMQTGGCWOTYRP-UHFFFAOYSA-N	-1	3	474.007	5.874	50	30		JKEAHM
CCCCCCCCCCCCCCCCCCSCC/N=C/c1cc2ccccc2cc1[O-]	ZINC000033355493	519997615	/nfs/dbraw/zinc/99/76/15/519997615.db2.gz	KVQAPAOSQYKKRV-QVAGMWBUSA-N	-1	3	483.806	9.959	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@H]2c1ccc(Br)s1	ZINC000012348077	520258644	/nfs/dbraw/zinc/25/86/44/520258644.db2.gz	RPFJCJZQUIALIN-SFHVURJKSA-N	-1	3	470.392	5.190	50	30		JKEAHM
CCCOc1c(Br)cc(Br)cc1/C=C1\Cc2c(cccc2[O-])C1=O	ZINC000015553941	520289794	/nfs/dbraw/zinc/28/97/94/520289794.db2.gz	LTQHZXMABMDPAM-YRNVUSSQSA-N	-1	3	452.142	5.528	50	30		JKEAHM
CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000009123661	520330422	/nfs/dbraw/zinc/33/04/22/520330422.db2.gz	KJSBMRIMFLYZGP-RUZDIDTESA-N	-1	3	470.569	5.951	50	30		JKEAHM
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000009123661	520330426	/nfs/dbraw/zinc/33/04/26/520330426.db2.gz	KJSBMRIMFLYZGP-RUZDIDTESA-N	-1	3	470.569	5.951	50	30		JKEAHM
CCOC(=O)C(=N[N-]c1ccc(Cl)cc1Cl)C(=O)CSc1ccc(C(F)(F)F)cn1	ZINC000012369774	520394639	/nfs/dbraw/zinc/39/46/39/520394639.db2.gz	OEDNCOIOPJXIGK-WGOQTCKBSA-N	-1	3	480.295	5.100	50	30		JKEAHM
CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(Cl)c1[O-]	ZINC000003668604	520633814	/nfs/dbraw/zinc/63/38/14/520633814.db2.gz	GPDMUHDHUZRHRG-BNUIPMERSA-N	-1	3	450.947	6.253	50	30		JKEAHM
CCOc1cc(OCc2ccccc2Cl)ccc1C=C1CCCC(C(=O)C(F)(F)F)=C1[O-]	ZINC000009763701	520772426	/nfs/dbraw/zinc/77/24/26/520772426.db2.gz	MBXOOZQJRJZOEH-JQIXDHTGSA-N	-1	3	466.883	6.829	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000009271376	520879478	/nfs/dbraw/zinc/87/94/78/520879478.db2.gz	PZVIHNSGJFJTBR-QHCPKHFHSA-N	-1	3	476.598	6.065	50	30		JKEAHM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000009271376	520879485	/nfs/dbraw/zinc/87/94/85/520879485.db2.gz	PZVIHNSGJFJTBR-QHCPKHFHSA-N	-1	3	476.598	6.065	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1	ZINC000009994180	520881185	/nfs/dbraw/zinc/88/11/85/520881185.db2.gz	MEMKNWCYCHEVRB-RUZDIDTESA-N	-1	3	470.569	5.869	50	30		JKEAHM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1	ZINC000009994180	520881186	/nfs/dbraw/zinc/88/11/86/520881186.db2.gz	MEMKNWCYCHEVRB-RUZDIDTESA-N	-1	3	470.569	5.869	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000009019695	520881812	/nfs/dbraw/zinc/88/18/12/520881812.db2.gz	JICKGDHCUOWZQD-QHCPKHFHSA-N	-1	3	463.917	5.530	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C)s3)[C@@H]2c2cccc3ccccc32)cc1	ZINC000001143454	520884004	/nfs/dbraw/zinc/88/40/04/520884004.db2.gz	CKUFYMAAKFPTAS-JOCHJYFZSA-N	-1	3	471.538	5.181	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C(C)C)s3)[C@@H]2c2ccc(CC)cc2)cc1	ZINC000016731048	520884912	/nfs/dbraw/zinc/88/49/12/520884912.db2.gz	WCQYTBHBBIGJOF-OAQYLSRUSA-N	-1	3	477.586	5.406	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000009275757	520884929	/nfs/dbraw/zinc/88/49/29/520884929.db2.gz	JOUCWRNQYHRBJE-VWLOTQADSA-N	-1	3	498.604	6.403	50	30		JKEAHM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000009275757	520884937	/nfs/dbraw/zinc/88/49/37/520884937.db2.gz	JOUCWRNQYHRBJE-VWLOTQADSA-N	-1	3	498.604	6.403	50	30		JKEAHM
CCOc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000009272776	521035090	/nfs/dbraw/zinc/03/50/90/521035090.db2.gz	OSLPPHYKQNQFNP-JOCHJYFZSA-N	-1	3	478.342	5.631	50	30		JKEAHM
CCOc1ccc(N2C(=O)C([O-])=C(C(=O)C=Cc3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000009275573	521035246	/nfs/dbraw/zinc/03/52/46/521035246.db2.gz	QDDMHXHREWFIRC-OMSIECJNSA-N	-1	3	470.481	5.176	50	30		JKEAHM
CCOc1ccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000009275573	521035255	/nfs/dbraw/zinc/03/52/55/521035255.db2.gz	QDDMHXHREWFIRC-OMSIECJNSA-N	-1	3	470.481	5.176	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3ccccc3)sc2c1	ZINC000009122792	521300383	/nfs/dbraw/zinc/30/03/83/521300383.db2.gz	LFUHOYRCBMVHDN-HSZRJFAPSA-N	-1	3	486.549	5.487	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000009008557	521301684	/nfs/dbraw/zinc/30/16/84/521301684.db2.gz	ITPWXPXOVMWZHO-VWLOTQADSA-N	-1	3	498.604	6.601	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000009008557	521301691	/nfs/dbraw/zinc/30/16/91/521301691.db2.gz	ITPWXPXOVMWZHO-VWLOTQADSA-N	-1	3	498.604	6.601	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000009008556	521302055	/nfs/dbraw/zinc/30/20/55/521302055.db2.gz	ITPWXPXOVMWZHO-RUZDIDTESA-N	-1	3	498.604	6.601	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000009008556	521302062	/nfs/dbraw/zinc/30/20/62/521302062.db2.gz	ITPWXPXOVMWZHO-RUZDIDTESA-N	-1	3	498.604	6.601	50	30		JKEAHM
CCOC(=O)c1c(/N=C/c2c3c(cc(C(C)(C)C)c2[O-])oc2c3CCCC2)sc2c1CCCC2	ZINC000016683078	521375075	/nfs/dbraw/zinc/37/50/75/521375075.db2.gz	SRIFLMADXBSYJW-WKULSOCRSA-N	-1	3	479.642	7.182	50	30		JKEAHM
CCC(=C([O-])NC(=Nc1nc(C)cc(C)n1)NCCc1c[nH]c2ccc(Cl)cc12)c1ccccc1	ZINC000014730345	521802238	/nfs/dbraw/zinc/80/22/38/521802238.db2.gz	POAXULJIJRGNEP-JOCHJYFZSA-N	-1	3	489.023	5.549	50	30		JKEAHM
COc1cc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc(Cl)c1[O-]	ZINC000095482956	521968447	/nfs/dbraw/zinc/96/84/47/521968447.db2.gz	RYKJEKITYBKKNI-BUNZEZOSSA-N	-1	3	464.974	5.727	50	30		JKEAHM
COc1cc(Br)cc(/C=N/c2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)c1[O-]	ZINC000003162642	522027837	/nfs/dbraw/zinc/02/78/37/522027837.db2.gz	BUPSLHLOPYNNMS-KIBLKLHPSA-N	-1	3	492.156	7.029	50	30		JKEAHM
COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000009045832	522161632	/nfs/dbraw/zinc/16/16/32/522161632.db2.gz	ZZZHSTLXPIKQIS-JOCHJYFZSA-N	-1	3	484.533	5.174	50	30		JKEAHM
COC(=O)c1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000009045837	522171344	/nfs/dbraw/zinc/17/13/44/522171344.db2.gz	ZZZHSTLXPIKQIS-QFIPXVFZSA-N	-1	3	484.533	5.174	50	30		JKEAHM
CCn1c2ccccc2c2cc(/C=N/c3ccc(S(=O)(=O)[N-]c4c(C)cc(C)cc4C)cc3)ccc21	ZINC000006058705	523273925	/nfs/dbraw/zinc/27/39/25/523273925.db2.gz	CPRVUCSNXXENNI-ZCTHSVRISA-N	-1	3	495.648	7.291	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000009085991	523564864	/nfs/dbraw/zinc/56/48/64/523564864.db2.gz	BKONXUNWTSKLOX-QFIPXVFZSA-N	-1	3	494.341	5.249	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2)cc1	ZINC000009186462	523567975	/nfs/dbraw/zinc/56/79/75/523567975.db2.gz	ADWSCRBXTZYUJF-JOCHJYFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2)cc1	ZINC000009186462	523567984	/nfs/dbraw/zinc/56/79/84/523567984.db2.gz	ADWSCRBXTZYUJF-JOCHJYFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C)o2)cc1C	ZINC000009461311	523569043	/nfs/dbraw/zinc/56/90/43/523569043.db2.gz	ZLTMIJHUQOCGIR-JOCHJYFZSA-N	-1	3	474.538	5.606	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(F)c2)cc1	ZINC000009065098	523570376	/nfs/dbraw/zinc/57/03/76/523570376.db2.gz	IVROCOBORYQCSU-QHCPKHFHSA-N	-1	3	488.540	5.844	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2OC)cc1	ZINC000009177645	523570507	/nfs/dbraw/zinc/57/05/07/523570507.db2.gz	XXGUIKXUOGBSBB-QHCPKHFHSA-N	-1	3	486.549	5.405	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000009008711	523572252	/nfs/dbraw/zinc/57/22/52/523572252.db2.gz	UXZLKTHCUDCEAH-QFIPXVFZSA-N	-1	3	474.513	5.535	50	30		JKEAHM
COc1cccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1OC	ZINC000009008432	524111725	/nfs/dbraw/zinc/11/17/25/524111725.db2.gz	UZLWULDQUMQALC-JOCHJYFZSA-N	-1	3	486.549	5.405	50	30		JKEAHM
Cc1cc(C(C)(C)C)ccc1[C@@H]1c2c([n-]n(-c3ccccc3)c2=O)NC2=C1C(=O)CC(C)(C)C2	ZINC000009971075	524200789	/nfs/dbraw/zinc/20/07/89/524200789.db2.gz	BEXQWAPFWXUVHP-QHCPKHFHSA-N	-1	3	455.602	6.384	50	30		JKEAHM
COc1ccc(N2C(=O)C([O-])=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000009086312	524385090	/nfs/dbraw/zinc/38/50/90/524385090.db2.gz	DLCPVUZKFDNGNY-NRESZANFSA-N	-1	3	490.353	5.640	50	30		JKEAHM
COc1ccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000009086312	524385100	/nfs/dbraw/zinc/38/51/00/524385100.db2.gz	DLCPVUZKFDNGNY-NRESZANFSA-N	-1	3	490.353	5.640	50	30		JKEAHM
C[C@H]1CCc2c(C#N)c([N-]C(=O)c3cnn4c3nc(-c3ccco3)cc4C(F)(F)F)sc2C1	ZINC000002493556	524431600	/nfs/dbraw/zinc/43/16/00/524431600.db2.gz	MOYQKDICGOWFNZ-NSHDSACASA-N	-1	3	471.464	5.318	50	30		JKEAHM
COc1ccccc1[C@@H]1C(=C([O-])c2cccs2)C(=O)C(=O)N1c1nc2c(cc(C)cc2C)s1	ZINC000009234687	524746034	/nfs/dbraw/zinc/74/60/34/524746034.db2.gz	NOBYASSBMLJLMF-OAQYLSRUSA-N	-1	3	476.579	5.766	50	30		JKEAHM
COc1ccccc1[C@H]1C(=C([O-])c2cccs2)C(=O)C(=O)N1c1nc2c(cc(C)cc2C)s1	ZINC000009234690	524805235	/nfs/dbraw/zinc/80/52/35/524805235.db2.gz	NOBYASSBMLJLMF-NRFANRHFSA-N	-1	3	476.579	5.766	50	30		JKEAHM
Cc1cc(I)c([O-])c(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)c1	ZINC000003060379	525010823	/nfs/dbraw/zinc/01/08/23/525010823.db2.gz	AGYYCAUSMJLDTJ-FSJBWODESA-N	-1	3	454.267	5.864	50	30		JKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)no1	ZINC000009359468	525049723	/nfs/dbraw/zinc/04/97/23/525049723.db2.gz	AHUKXSVCUUGTLV-SANMLTNESA-N	-1	3	480.520	5.653	50	30		JKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2cccc(Oc3ccccc3)c2)no1	ZINC000009353193	525049812	/nfs/dbraw/zinc/04/98/12/525049812.db2.gz	PBDVGTIQKNAYEA-VWLOTQADSA-N	-1	3	466.493	5.867	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(Br)cc2)cc1	ZINC000009108960	525225326	/nfs/dbraw/zinc/22/53/26/525225326.db2.gz	XNDILDSXITXHRT-OAQYLSRUSA-N	-1	3	464.315	5.241	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009186587	525390280	/nfs/dbraw/zinc/39/02/80/525390280.db2.gz	USZUFPMAJVORCU-QHCPKHFHSA-N	-1	3	488.540	5.844	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)c(OC)c1	ZINC000009272175	525392986	/nfs/dbraw/zinc/39/29/86/525392986.db2.gz	PFOYHQRAXCLPTH-QHCPKHFHSA-N	-1	3	463.917	5.449	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009066950	525393081	/nfs/dbraw/zinc/39/30/81/525393081.db2.gz	BARUJMNRKGKSTF-QHCPKHFHSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009066950	525393091	/nfs/dbraw/zinc/39/30/91/525393091.db2.gz	BARUJMNRKGKSTF-QHCPKHFHSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1ccc([C@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)CCC3)cc1OCc1ccccc1	ZINC000012348162	525440741	/nfs/dbraw/zinc/44/07/41/525440741.db2.gz	GKFWEZYPFFDBNC-AREMUKBSSA-N	-1	3	493.563	5.318	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3)sc2c1	ZINC000009412050	525670616	/nfs/dbraw/zinc/67/06/16/525670616.db2.gz	HQDFAVYWOPXCIP-OWJWWREXSA-N	-1	3	498.560	5.411	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(C(C)C)cc3)nc2c(C)c1	ZINC000009008717	525698534	/nfs/dbraw/zinc/69/85/34/525698534.db2.gz	BRUWCAVRXSXJQE-HSZRJFAPSA-N	-1	3	488.634	6.881	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(C(C)C)cc3)nc2c(C)c1	ZINC000009008717	525698544	/nfs/dbraw/zinc/69/85/44/525698544.db2.gz	BRUWCAVRXSXJQE-HSZRJFAPSA-N	-1	3	488.634	6.881	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccnc3)nc2c(C)c1	ZINC000009413367	525699121	/nfs/dbraw/zinc/69/91/21/525699121.db2.gz	GSMQGGHHKSHJQW-VOIUYBSRSA-N	-1	3	497.576	5.414	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C)o2)c1	ZINC000009461141	525784500	/nfs/dbraw/zinc/78/45/00/525784500.db2.gz	GOBQNQDAYKRCIR-QFIPXVFZSA-N	-1	3	474.538	5.606	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccco2)c1	ZINC000009413261	525785834	/nfs/dbraw/zinc/78/58/34/525785834.db2.gz	OXAQAWPZVJUDKO-OAQYLSRUSA-N	-1	3	460.511	5.298	50	30		JKEAHM
Cc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000009357263	525790930	/nfs/dbraw/zinc/79/09/30/525790930.db2.gz	ZRXXWNYIYFXEEE-SSOJOUAXSA-N	-1	3	496.588	6.019	50	30		JKEAHM
Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000009357263	525790935	/nfs/dbraw/zinc/79/09/35/525790935.db2.gz	ZRXXWNYIYFXEEE-SSOJOUAXSA-N	-1	3	496.588	6.019	50	30		JKEAHM
Cc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000009357265	525985939	/nfs/dbraw/zinc/98/59/39/525985939.db2.gz	ZRXXWNYIYFXEEE-GKVSMKOHSA-N	-1	3	496.588	6.019	50	30		JKEAHM
Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000009357265	525985947	/nfs/dbraw/zinc/98/59/47/525985947.db2.gz	ZRXXWNYIYFXEEE-GKVSMKOHSA-N	-1	3	496.588	6.019	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009272337	526031688	/nfs/dbraw/zinc/03/16/88/526031688.db2.gz	VJYPIWNIKGLDHU-OAQYLSRUSA-N	-1	3	471.494	5.296	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000009046459	526032268	/nfs/dbraw/zinc/03/22/68/526032268.db2.gz	CPLYDMHVZCEVMC-JOCHJYFZSA-N	-1	3	485.521	5.604	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000009043650	526252136	/nfs/dbraw/zinc/25/21/36/526252136.db2.gz	QPOZOJGVLWTNFX-JOCHJYFZSA-N	-1	3	472.566	6.278	50	30		JKEAHM
Cc1ccc(C(c2ccc(C)o2)c2ccc(/N=C/c3cc(Br)ccc3[O-])cc2)o1	ZINC000004280954	526255533	/nfs/dbraw/zinc/25/55/33/526255533.db2.gz	KIKCXRVWEWTPKU-VULFUBBASA-N	-1	3	450.332	6.888	50	30		JKEAHM
O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	ZINC000009427655	526269258	/nfs/dbraw/zinc/26/92/58/526269258.db2.gz	RDCKCUYMAWZGKJ-LJQANCHMSA-N	-1	3	462.716	6.018	50	30		JKEAHM
[O-]c1ccc(Br)cc1/C=N/c1cc(-c2ccc(Br)cc2)nn1-c1ccccc1	ZINC000003079910	526342211	/nfs/dbraw/zinc/34/22/11/526342211.db2.gz	PDWCUPFKCRFUBS-AFUMVMLFSA-N	-1	3	497.190	6.521	50	30		JKEAHM
[O-]c1ccc(Cl)cc1/C(=N/N=C(\c1ccccc1)c1cc(Cl)ccc1O)c1ccccc1	ZINC000016450738	526347731	/nfs/dbraw/zinc/34/77/31/526347731.db2.gz	BPWMSYOEYZNJRJ-XDHTVYJESA-N	-1	3	461.348	6.695	50	30		JKEAHM
[O-]c1ccc(Cl)cc1/C=N/c1ccc2oc(-c3cccc(I)c3)nc2c1	ZINC000003087008	526347746	/nfs/dbraw/zinc/34/77/46/526347746.db2.gz	PWFPOUNQILACFG-FOKLQQMPSA-N	-1	3	474.685	6.209	50	30		JKEAHM
[O-]c1ccc2ccccc2c1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccccc1-c1ccccc1	ZINC000003664926	526355234	/nfs/dbraw/zinc/35/52/34/526355234.db2.gz	UIUWTRXXCNBYSH-ALQBTCKLSA-N	-1	3	483.489	8.774	50	30		JKEAHM
O=C(Oc1ccc([C@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)CCC3)cc1)c1ccccc1	ZINC000009846908	526442083	/nfs/dbraw/zinc/44/20/83/526442083.db2.gz	NKHMVZLNPQARLH-XMMPIXPASA-N	-1	3	477.520	5.362	50	30		JKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2cccc(Br)c2)sc1C	ZINC000009271451	526960709	/nfs/dbraw/zinc/96/07/09/526960709.db2.gz	QBWJLQDMBDUGMX-LJQANCHMSA-N	-1	3	483.387	5.614	50	30		JKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)sc1C	ZINC000009041198	526961723	/nfs/dbraw/zinc/96/17/23/526961723.db2.gz	NQLJIKBFDHPZNT-JOCHJYFZSA-N	-1	3	460.599	6.149	50	30		JKEAHM
Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)sc1C	ZINC000009041198	526961727	/nfs/dbraw/zinc/96/17/27/526961727.db2.gz	NQLJIKBFDHPZNT-JOCHJYFZSA-N	-1	3	460.599	6.149	50	30		JKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2ccc(C(C)(C)C)cc2)sc1C	ZINC000009270676	526962244	/nfs/dbraw/zinc/96/22/44/526962244.db2.gz	MHKPRDRTDMKBED-LJQANCHMSA-N	-1	3	452.601	5.902	50	30		JKEAHM
O=c1[nH][n-]c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C1=C(C[C@H](c3cccs3)CC1=O)N2	ZINC000012349309	527023778	/nfs/dbraw/zinc/02/37/78/527023778.db2.gz	MYIHSRLIVOHJKS-MBSDFSHPSA-N	-1	3	469.566	5.714	50	30		JKEAHM
O=c1[n-][nH]c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C1=C(C[C@H](c3cccs3)CC1=O)N2	ZINC000012349309	527023780	/nfs/dbraw/zinc/02/37/80/527023780.db2.gz	MYIHSRLIVOHJKS-MBSDFSHPSA-N	-1	3	469.566	5.714	50	30		JKEAHM
O=C1[N-]/C(=N\N=C\c2ccc(-c3ccc(Cl)cc3)o2)S[C@@H]1Cc1ccc(Br)cc1	ZINC000009216671	527042858	/nfs/dbraw/zinc/04/28/58/527042858.db2.gz	DJVYUPMUZZURKJ-QVHMZZSFSA-N	-1	3	488.794	5.527	50	30		JKEAHM
O=C1[N-]/C(=N\N=C\c2ccc(-c3ccc(Cl)cc3)o2)S[C@H]1Cc1ccc(Br)cc1	ZINC000009216674	527043196	/nfs/dbraw/zinc/04/31/96/527043196.db2.gz	DJVYUPMUZZURKJ-OGBFJMLUSA-N	-1	3	488.794	5.527	50	30		JKEAHM
O=C(Nc1cc(/N=C/c2c([O-])ccc3ccccc32)c(Cl)cc1Cl)c1ccc(Cl)cc1	ZINC000002067232	527101141	/nfs/dbraw/zinc/10/11/41/527101141.db2.gz	MQKQBVOVIKNEFL-XODNFHPESA-N	-1	3	469.755	7.509	50	30		JKEAHM
O=C1c2ccc([O-])c(CN3CCCCCC3)c2O/C1=C\c1cc(Br)cc2c1OCOC2	ZINC000020649716	527122938	/nfs/dbraw/zinc/12/29/38/527122938.db2.gz	OUIRXBUQXJACHZ-NHDPSOOVSA-N	-1	3	486.362	5.013	50	30		JKEAHM
O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3cccs3)C1)[C@@H]2c1ccccc1F	ZINC000018197073	527456459	/nfs/dbraw/zinc/45/64/59/527456459.db2.gz	LQLZYLRYFMFIQM-NYHFZMIOSA-N	-1	3	457.530	5.324	50	30		JKEAHM
O=C(C=Cc1ccccc1)C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1	ZINC000009477506	527630223	/nfs/dbraw/zinc/63/02/23/527630223.db2.gz	CHRGKAPEURNTEW-VTJDKEBTSA-N	-1	3	467.418	6.027	50	30		JKEAHM
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)C1=C([O-])C=Cc1ccccc1	ZINC000009477506	527630228	/nfs/dbraw/zinc/63/02/28/527630228.db2.gz	CHRGKAPEURNTEW-VTJDKEBTSA-N	-1	3	467.418	6.027	50	30		JKEAHM
O=C(C=Cc1ccccc1)C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(Cl)cc1	ZINC000009271881	527630276	/nfs/dbraw/zinc/63/02/76/527630276.db2.gz	TWMDCZUVCJVBEX-PZVJUEDKSA-N	-1	3	483.873	6.541	50	30		JKEAHM
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(Cl)cc2)C1=C([O-])C=Cc1ccccc1	ZINC000009271881	527630283	/nfs/dbraw/zinc/63/02/83/527630283.db2.gz	TWMDCZUVCJVBEX-PZVJUEDKSA-N	-1	3	483.873	6.541	50	30		JKEAHM
O=C1C(=O)N(c2ccccc2)[C@H](c2ccc(Br)cc2)C1=C([O-])C=Cc1ccccc1	ZINC000009380109	527631013	/nfs/dbraw/zinc/63/10/13/527631013.db2.gz	TUTYXHSZWPCUBQ-UUFSLDAJSA-N	-1	3	460.327	5.632	50	30		JKEAHM
O=C(C=Cc1ccccc1)C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1F	ZINC000033055312	527658309	/nfs/dbraw/zinc/65/83/09/527658309.db2.gz	XTRWDAGZJMWUSW-DSTYWPJMSA-N	-1	3	467.418	6.027	50	30		JKEAHM
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2F)C1=C([O-])C=Cc1ccccc1	ZINC000033055312	527658311	/nfs/dbraw/zinc/65/83/11/527658311.db2.gz	XTRWDAGZJMWUSW-DSTYWPJMSA-N	-1	3	467.418	6.027	50	30		JKEAHM
CC(C)Oc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102368614	534968876	/nfs/dbraw/zinc/96/88/76/534968876.db2.gz	FNLKDPZNCUQNIC-HOGKFDNTSA-N	-1	3	476.598	5.854	50	30		JKEAHM
CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1	ZINC000102577507	535093049	/nfs/dbraw/zinc/09/30/49/535093049.db2.gz	YDPAJLCQFIJSRQ-NXLSWJSLSA-N	-1	3	460.530	5.487	50	30		JKEAHM
CCCOc1ccc([C@H]2C(=C([O-])c3ccc4ccccc4c3)C(=O)C(=O)N2c2cc(C)on2)cc1	ZINC000102562694	535284189	/nfs/dbraw/zinc/28/41/89/535284189.db2.gz	KPWNVBQKCNZPAV-IUKMQXEJSA-N	-1	3	468.509	5.551	50	30		JKEAHM
CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nccs2)cc1	ZINC000102679423	535373803	/nfs/dbraw/zinc/37/38/03/535373803.db2.gz	CJNVVCCGQFGFCD-IXBTYZTBSA-N	-1	3	460.555	5.216	50	30		JKEAHM
CC(C)c1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000102502455	535373813	/nfs/dbraw/zinc/37/38/13/535373813.db2.gz	MOOHCOVKBZLQSF-ZHHPLPSFSA-N	-1	3	472.541	6.185	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3ccccc3)sc2c1	ZINC000102873929	535442607	/nfs/dbraw/zinc/44/26/07/535442607.db2.gz	DKRHQVNBEMSQAC-ZHHPLPSFSA-N	-1	3	486.549	5.330	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccc(F)cc3)sc2c1	ZINC000102706772	535828067	/nfs/dbraw/zinc/82/80/67/535828067.db2.gz	NXEPMSPUUNCPCC-ZHHPLPSFSA-N	-1	3	472.541	5.933	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1	ZINC000102707239	535828107	/nfs/dbraw/zinc/82/81/07/535828107.db2.gz	FEAYJAYXXUCPJA-ZHHPLPSFSA-N	-1	3	488.996	6.447	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3ccc(C)cc3)sc2c1	ZINC000102691160	535828459	/nfs/dbraw/zinc/82/84/59/535828459.db2.gz	BVUZZZNRBMFUPB-MOBKVPTQSA-N	-1	3	458.539	5.695	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102709446	535828716	/nfs/dbraw/zinc/82/87/16/535828716.db2.gz	BGUUMKPXOOWAPM-CJJGVWJISA-N	-1	3	496.632	6.917	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102709446	535828723	/nfs/dbraw/zinc/82/87/23/535828723.db2.gz	BGUUMKPXOOWAPM-CJJGVWJISA-N	-1	3	496.632	6.917	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3cccc(OC)c3)sc2c1	ZINC000102692456	535828898	/nfs/dbraw/zinc/82/88/98/535828898.db2.gz	VMJNQVMOGDUMAX-NXLSWJSLSA-N	-1	3	484.577	5.802	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc(OC)c3)sc2c1	ZINC000102692456	535828906	/nfs/dbraw/zinc/82/89/06/535828906.db2.gz	VMJNQVMOGDUMAX-NXLSWJSLSA-N	-1	3	484.577	5.802	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccccc3)sc2c1	ZINC000102720026	535829864	/nfs/dbraw/zinc/82/98/64/535829864.db2.gz	NJMNVSIBDMZZFL-HOGKFDNTSA-N	-1	3	474.969	6.138	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3cccs3)sc2c1	ZINC000102714654	535830052	/nfs/dbraw/zinc/83/00/52/535830052.db2.gz	BHQRIFQUIKTHRC-MRJHHRETSA-N	-1	3	476.579	5.555	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000102711381	535830939	/nfs/dbraw/zinc/83/09/39/535830939.db2.gz	LNXPQOUNOGRGSX-MOBKVPTQSA-N	-1	3	485.521	5.393	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(OC)cc3)sc2c1	ZINC000102704737	535831347	/nfs/dbraw/zinc/83/13/47/535831347.db2.gz	CUSDKEVISUZJIW-MRJHHRETSA-N	-1	3	476.579	5.555	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccccc3OC)sc2c1	ZINC000102704209	535831667	/nfs/dbraw/zinc/83/16/67/535831667.db2.gz	QITAIJQGJFUCOZ-MRJHHRETSA-N	-1	3	476.579	5.555	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102927214	536568600	/nfs/dbraw/zinc/56/86/00/536568600.db2.gz	TZBMFUGSWITDRK-IUKMQXEJSA-N	-1	3	498.604	6.363	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102927214	536568606	/nfs/dbraw/zinc/56/86/06/536568606.db2.gz	TZBMFUGSWITDRK-IUKMQXEJSA-N	-1	3	498.604	6.363	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2)cc1	ZINC000102489182	536568621	/nfs/dbraw/zinc/56/86/21/536568621.db2.gz	FKVXDJBKHOGNSU-MOBKVPTQSA-N	-1	3	456.523	5.240	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2)cc1	ZINC000102489182	536568625	/nfs/dbraw/zinc/56/86/25/536568625.db2.gz	FKVXDJBKHOGNSU-MOBKVPTQSA-N	-1	3	456.523	5.240	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2OC)cc1	ZINC000102859760	536569309	/nfs/dbraw/zinc/56/93/09/536569309.db2.gz	CKXOTGWMBAIZEC-ZHHPLPSFSA-N	-1	3	486.549	5.248	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1	ZINC000102536273	536569452	/nfs/dbraw/zinc/56/94/52/536569452.db2.gz	GMUNYXICXOQZEJ-HOGKFDNTSA-N	-1	3	490.968	5.893	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)c1	ZINC000102712872	537073665	/nfs/dbraw/zinc/07/36/65/537073665.db2.gz	QSBPPKBTYDYCME-NPJIAGGLSA-N	-1	3	498.604	6.363	50	30		JKEAHM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)c1	ZINC000102712872	537073668	/nfs/dbraw/zinc/07/36/68/537073668.db2.gz	QSBPPKBTYDYCME-NPJIAGGLSA-N	-1	3	498.604	6.363	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(O)c2)c1	ZINC000102717578	537073722	/nfs/dbraw/zinc/07/37/22/537073722.db2.gz	MBWZYWQEIJAWOZ-BUANBSPESA-N	-1	3	486.549	5.254	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C)o2)c1	ZINC000102715667	537073784	/nfs/dbraw/zinc/07/37/84/537073784.db2.gz	CQPLXSAAUZYDED-IAMBOQNYSA-N	-1	3	474.538	5.449	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2F)c1	ZINC000102546540	537073970	/nfs/dbraw/zinc/07/39/70/537073970.db2.gz	DXOVPMZAXLWGMS-COUQNMRISA-N	-1	3	488.540	5.687	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2)c1	ZINC000102702854	537074078	/nfs/dbraw/zinc/07/40/78/537074078.db2.gz	RINVAGNLWMZZJL-BUANBSPESA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2)c1	ZINC000102702854	537074082	/nfs/dbraw/zinc/07/40/82/537074082.db2.gz	RINVAGNLWMZZJL-BUANBSPESA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2F)c1	ZINC000102546546	537074131	/nfs/dbraw/zinc/07/41/31/537074131.db2.gz	DXOVPMZAXLWGMS-BUANBSPESA-N	-1	3	488.540	5.687	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C)cc2)c1	ZINC000102706623	537074305	/nfs/dbraw/zinc/07/43/05/537074305.db2.gz	MPRFGIBGIZNQNS-AYWGPLOBSA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C)cc2)c1	ZINC000102706623	537074310	/nfs/dbraw/zinc/07/43/10/537074310.db2.gz	MPRFGIBGIZNQNS-AYWGPLOBSA-N	-1	3	470.550	5.548	50	30		JKEAHM
CCOc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2cc(OC)ccc2OC)cc1	ZINC000000625531	553713915	/nfs/dbraw/zinc/71/39/15/553713915.db2.gz	CKOPUXVHYFQLAI-RUZDIDTESA-N	-1	3	473.525	5.194	50	30		JKEAHM
CCOc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2cc(OC)ccc2OC)cc1	ZINC000000625531	553713916	/nfs/dbraw/zinc/71/39/16/553713916.db2.gz	CKOPUXVHYFQLAI-RUZDIDTESA-N	-1	3	473.525	5.194	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000000634271	553720128	/nfs/dbraw/zinc/72/01/28/553720128.db2.gz	SAHYXKASBJHHLF-NRFANRHFSA-N	-1	3	463.559	5.152	50	30		JKEAHM
N#Cc1c([N-]C(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)(F)F)sc2c1CCCC2	ZINC000000662846	553740256	/nfs/dbraw/zinc/74/02/56/553740256.db2.gz	XYQYUBYHLSIUDL-UHFFFAOYSA-N	-1	3	467.476	5.479	50	30		JKEAHM
CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(Br)c1[O-]	ZINC000000667809	553743684	/nfs/dbraw/zinc/74/36/84/553743684.db2.gz	UZNAHPWJLHCHIH-UHFFFAOYSA-N	-1	3	489.406	5.954	50	30		JKEAHM
COC(=O)c1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000000702393	553761143	/nfs/dbraw/zinc/76/11/43/553761143.db2.gz	GQHJGGQPFAFVLG-QHCPKHFHSA-N	-1	3	498.560	5.483	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@@H]3c3ccccc3)nc2c(C)c1	ZINC000000703122	553762122	/nfs/dbraw/zinc/76/21/22/553762122.db2.gz	CJTCDVQWFUSPHO-DEOSSOPVSA-N	-1	3	480.545	6.442	50	30		JKEAHM
CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc(Cl)c1[O-]	ZINC000000709411	553765423	/nfs/dbraw/zinc/76/54/23/553765423.db2.gz	MMMVLXUCHWWCIQ-XGCWNURASA-N	-1	3	490.987	6.432	50	30		JKEAHM
CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc(Cl)c1[O-]	ZINC000000709413	553765444	/nfs/dbraw/zinc/76/54/44/553765444.db2.gz	MMMVLXUCHWWCIQ-CBZJRKILSA-N	-1	3	490.987	6.432	50	30		JKEAHM
COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(-c3ccc(Br)cc3)o2)ccc1[O-]	ZINC000000712426	553767263	/nfs/dbraw/zinc/76/72/63/553767263.db2.gz	XOKJBDOTEZQGJI-JFLMPSFJSA-N	-1	3	488.341	6.489	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(C)c(Br)c3)[C@H]2c2cccc(O)c2)cc1	ZINC000000719243	553770906	/nfs/dbraw/zinc/77/09/06/553770906.db2.gz	MJSABCDPKHCOSG-QFIPXVFZSA-N	-1	3	494.341	5.255	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(C)c(Br)c3)[C@@H]2c2cccc(O)c2)cc1	ZINC000000719244	553770945	/nfs/dbraw/zinc/77/09/45/553770945.db2.gz	MJSABCDPKHCOSG-JOCHJYFZSA-N	-1	3	494.341	5.255	50	30		JKEAHM
COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc(Cl)c1[O-]	ZINC000000720486	553771933	/nfs/dbraw/zinc/77/19/33/553771933.db2.gz	ZPTAUJDATJAHKY-PWECECGKSA-N	-1	3	481.379	6.687	50	30		JKEAHM
N#Cc1c([N-]C(=O)c2cnn3c2nc(-c2cccs2)cc3C(F)(F)F)sc2c1CCCC2	ZINC000000721061	553772833	/nfs/dbraw/zinc/77/28/33/553772833.db2.gz	PKKXFMLJAUDGCG-UHFFFAOYSA-N	-1	3	473.505	5.541	50	30		JKEAHM
COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc(Br)c1[O-]	ZINC000000828732	553789792	/nfs/dbraw/zinc/78/97/92/553789792.db2.gz	YMTGNPCGBRKDCI-HSZRJFAPSA-N	-1	3	450.332	5.990	50	30		JKEAHM
COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(Br)c1[O-]	ZINC000000828726	553789808	/nfs/dbraw/zinc/78/98/08/553789808.db2.gz	IAGJIEMAHFCLSV-DEOSSOPVSA-N	-1	3	478.386	6.626	50	30		JKEAHM
COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(Br)c1[O-]	ZINC000000828725	553789812	/nfs/dbraw/zinc/78/98/12/553789812.db2.gz	IAGJIEMAHFCLSV-XMMPIXPASA-N	-1	3	478.386	6.626	50	30		JKEAHM
N#Cc1c([N-]C(=O)c2cnn3c2nc(-c2ccco2)cc3C(F)(F)F)sc2c1CCCC2	ZINC000000845063	553795362	/nfs/dbraw/zinc/79/53/62/553795362.db2.gz	GVRXBWSKVUXVJU-UHFFFAOYSA-N	-1	3	457.437	5.072	50	30		JKEAHM
C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cc4nc(-c5ccccc5)cc(C(F)(F)F)n4n3)sc2C1	ZINC000000845077	553795420	/nfs/dbraw/zinc/79/54/20/553795420.db2.gz	LBGRJEKIBROUCP-CYBMUJFWSA-N	-1	3	481.503	5.725	50	30		JKEAHM
COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)[N-]c4sc5c(c4C#N)CCCC5)c3n2)c1	ZINC000000883788	553820525	/nfs/dbraw/zinc/82/05/25/553820525.db2.gz	SSXLFDCGKHJIDJ-UHFFFAOYSA-N	-1	3	497.502	5.488	50	30		JKEAHM
COc1cc(Br)c([O-])c(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(C)C2=O)c1	ZINC000001007058	553899215	/nfs/dbraw/zinc/89/92/15/553899215.db2.gz	TTYXAINYDCNIHC-IRNZGAOUSA-N	-1	3	453.745	5.051	50	30		JKEAHM
COc1ccccc1NC(=O)CSc1nc2ccc(/N=C/c3cc(Cl)ccc3[O-])cc2s1	ZINC000001061452	553902841	/nfs/dbraw/zinc/90/28/41/553902841.db2.gz	RENZYRKZGMDBKC-BRJLIKDPSA-N	-1	3	484.002	6.145	50	30		JKEAHM
COc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1	ZINC000001066146	553903638	/nfs/dbraw/zinc/90/36/38/553903638.db2.gz	YZUUMMSVFPNMLT-HSZRJFAPSA-N	-1	3	462.933	5.198	50	30		JKEAHM
COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1	ZINC000001066146	553903640	/nfs/dbraw/zinc/90/36/40/553903640.db2.gz	YZUUMMSVFPNMLT-HSZRJFAPSA-N	-1	3	462.933	5.198	50	30		JKEAHM
COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(Cl)c1[O-]	ZINC000001077146	553904618	/nfs/dbraw/zinc/90/46/18/553904618.db2.gz	PUFAQFAATXWXFI-NPMABZOXSA-N	-1	3	452.963	6.095	50	30		JKEAHM
CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1[O-]	ZINC000001138185	553915633	/nfs/dbraw/zinc/91/56/33/553915633.db2.gz	ZNPIQIBQYPWMPW-UHFFFAOYSA-N	-1	3	472.025	6.150	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C)s3)[C@H]2c2cccc3ccccc32)cc1	ZINC000001143448	553915871	/nfs/dbraw/zinc/91/58/71/553915871.db2.gz	CKUFYMAAKFPTAS-QFIPXVFZSA-N	-1	3	471.538	5.181	50	30		JKEAHM
CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)c([O-])c(OC)c2)C2=C1CC(C)(C)CC2=O	ZINC000001150930	553917080	/nfs/dbraw/zinc/91/70/80/553917080.db2.gz	BYTFUKADKORDKV-UHFFFAOYSA-N	-1	3	457.998	5.760	50	30		JKEAHM
COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(Br)c1[O-]	ZINC000001155587	553918631	/nfs/dbraw/zinc/91/86/31/553918631.db2.gz	IPSHTUJRJRRVPR-NPMABZOXSA-N	-1	3	497.414	6.204	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(Br)cc2)c(OC)c1	ZINC000001170618	553922255	/nfs/dbraw/zinc/92/22/55/553922255.db2.gz	QIKSJXBGAXKCRI-JOCHJYFZSA-N	-1	3	494.341	5.249	50	30		JKEAHM
O=C1CCCC2=C1C(c1ccc([O-])c(Br)c1)C1=C(CCCC1=O)N2Cc1ccccc1	ZINC000001408510	553966411	/nfs/dbraw/zinc/96/64/11/553966411.db2.gz	ZBTXGHODAYMTDS-UHFFFAOYSA-N	-1	3	478.386	5.768	50	30		JKEAHM
COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc(Cl)c1[O-]	ZINC000001434718	553971498	/nfs/dbraw/zinc/97/14/98/553971498.db2.gz	QEZNAQIFPZSAKI-MRDQGFSESA-N	-1	3	460.961	6.342	50	30		JKEAHM
CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc(Cl)c1[O-]	ZINC000001434781	553971530	/nfs/dbraw/zinc/97/15/30/553971530.db2.gz	ILODJTKBLCGTOI-XRHLQHRESA-N	-1	3	474.988	6.732	50	30		JKEAHM
CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Cl)c1[O-]	ZINC000001438095	553972059	/nfs/dbraw/zinc/97/20/59/553972059.db2.gz	FGSYIARSMXGJTE-WGDIFIGCSA-N	-1	3	460.961	6.424	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccs2)cc1C	ZINC000001450704	553973601	/nfs/dbraw/zinc/97/36/01/553973601.db2.gz	OXKFBPSPFIPFEN-JOCHJYFZSA-N	-1	3	490.606	6.075	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccs2)cc1C	ZINC000001450704	553973605	/nfs/dbraw/zinc/97/36/05/553973605.db2.gz	OXKFBPSPFIPFEN-JOCHJYFZSA-N	-1	3	490.606	6.075	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3ccc(C)o3)sc2c1	ZINC000001450574	553973855	/nfs/dbraw/zinc/97/38/55/553973855.db2.gz	WHYYHYDNVVKAGA-QFIPXVFZSA-N	-1	3	474.538	5.552	50	30		JKEAHM
[O-]c1ccc(Br)cc1/C=N/c1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1	ZINC000001756185	553986238	/nfs/dbraw/zinc/98/62/38/553986238.db2.gz	ARNNEYYVZXLIDH-UVHMKAGCSA-N	-1	3	477.745	7.520	50	30		JKEAHM
COc1cc(Br)cc(/C=N/c2cccc(-c3nc4cc(C)ccc4o3)c2C)c1[O-]	ZINC000001883305	554000391	/nfs/dbraw/zinc/00/03/91/554000391.db2.gz	DUOWYLGNFSCRKH-BRJLIKDPSA-N	-1	3	451.320	6.339	50	30		JKEAHM
O=C(Nc1cccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2[O-])c1)c1ccccc1Cl	ZINC000001948889	554006039	/nfs/dbraw/zinc/00/60/39/554006039.db2.gz	GOHYJRDRYXNNNE-OCSSWDANSA-N	-1	3	475.375	7.293	50	30		JKEAHM
COc1cc(/C=C2\S/C(=N\c3cccc(C)c3C)N(c3cccc(C)c3C)C2=O)cc(Cl)c1[O-]	ZINC000002073830	554023283	/nfs/dbraw/zinc/02/32/83/554023283.db2.gz	OQJJVIOVWVAPAB-GQHTZDRWSA-N	-1	3	493.028	7.096	50	30		JKEAHM
CCOc1cc(Br)cc(/C=N/c2cc(-c3nc4ccccc4o3)ccc2C)c1[O-]	ZINC000002079907	554026709	/nfs/dbraw/zinc/02/67/09/554026709.db2.gz	HGUZRPWMMCIOGO-DHRITJCHSA-N	-1	3	451.320	6.421	50	30		JKEAHM
Cc1cccc(/N=C2\S/C(=C\c3cc([O-])ccc3Br)C(=O)N2c2cccc(C)c2)c1	ZINC000002083967	554029764	/nfs/dbraw/zinc/02/97/64/554029764.db2.gz	WAWFLPIWEILARW-PZFZXBCHSA-N	-1	3	479.399	6.580	50	30		JKEAHM
C=CCOc1ccc(C(=O)NN2C(=O)c3ccccc3N[C@@H]2c2c([O-])ccc3ccccc32)cc1	ZINC000002085468	554031231	/nfs/dbraw/zinc/03/12/31/554031231.db2.gz	IUVMLTLZMJONJT-SANMLTNESA-N	-1	3	465.509	5.022	50	30		JKEAHM
CCN(CC)c1ccc(/C=N/c2ccccc2/N=C/c2ccc(N(CC)CC)cc2O)c([O-])c1	ZINC000002133411	554061133	/nfs/dbraw/zinc/06/11/33/554061133.db2.gz	JAGCZZIZUSBRSB-CZYCKNNWSA-N	-1	3	458.606	6.291	50	30		JKEAHM
O=S(=O)(c1ccc(/N=C/c2ccc([O-])cc2)cc1)c1ccc(/N=C/c2ccc(O)cc2)cc1	ZINC000002171902	554076956	/nfs/dbraw/zinc/07/69/56/554076956.db2.gz	KUIJJGXVYHCVMQ-XUIWWLCJSA-N	-1	3	456.523	5.432	50	30		JKEAHM
O=C(CSc1nc2ccc(/N=C/c3c([O-])ccc4ccccc43)cc2s1)NCCc1ccccc1	ZINC000002186901	554083617	/nfs/dbraw/zinc/08/36/17/554083617.db2.gz	WCINAEHPZFLLKS-OCSSWDANSA-N	-1	3	497.645	6.357	50	30		JKEAHM
CCOc1cc(Br)cc(/C=N/c2sc3c(c2C(=O)OC(C)(C)C)CCN(C)C3)c1[O-]	ZINC000002240801	554109771	/nfs/dbraw/zinc/10/97/71/554109771.db2.gz	OIZBHCABONWEMO-BHGWPJFGSA-N	-1	3	495.439	5.309	50	30		JKEAHM
COc1cccc(NC(=Nc2nc(C)cc(C)n2)[N-]C(=O)Nc2ccc(Cl)c(Cl)c2)c1	ZINC000002267239	554125533	/nfs/dbraw/zinc/12/55/33/554125533.db2.gz	KVLYKDAODMYYQV-UHFFFAOYSA-N	-1	3	459.337	5.330	50	30		JKEAHM
CCCCOP(=O)(OCCCC)[C@@]1([N-]S(=O)(=O)c2ccccc2)C=CC(=O)c2ccccc21	ZINC000002276008	554128786	/nfs/dbraw/zinc/12/87/86/554128786.db2.gz	YTKZIUFDINVYGN-DEOSSOPVSA-N	-1	3	491.546	5.397	50	30		JKEAHM
Cc1cc(C)nc(N=C([N-]C(=O)Nc2ccc(Cl)c(Cl)c2)Nc2ccc(F)c([N+](=O)[O-])c2)n1	ZINC000002286198	554133124	/nfs/dbraw/zinc/13/31/24/554133124.db2.gz	BGOYBBKJSMULHM-UHFFFAOYSA-N	-1	3	492.298	5.369	50	30		JKEAHM
CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc([O-])c(Br)c2)C2=C1CC(C)(C)CC2=O	ZINC000002482248	554226189	/nfs/dbraw/zinc/22/61/89/554226189.db2.gz	GMJJULXTJCVPGD-UHFFFAOYSA-N	-1	3	472.423	5.860	50	30		JKEAHM
CCOC(=O)c1c(-c2ccc(C)cc2)csc1/N=C/c1c2c(ccc1[O-])oc1c2CCCC1	ZINC000002589667	554238395	/nfs/dbraw/zinc/23/83/95/554238395.db2.gz	YYBFKKZWZQEFAO-CCVNUDIWSA-N	-1	3	459.567	6.981	50	30		JKEAHM
Cc1ccc(OCc2ccc(C(=O)[N-]c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)o2)cc1C	ZINC000002754493	554327650	/nfs/dbraw/zinc/32/76/50/554327650.db2.gz	HVRMDYXMINIAIJ-SFHVURJKSA-N	-1	3	462.615	6.812	50	30		JKEAHM
C[C@H]1CCc2c(C#N)c([N-]C(=O)c3cnn4c3nc(-c3ccccc3)cc4C(F)F)sc2C1	ZINC000002769845	554335802	/nfs/dbraw/zinc/33/58/02/554335802.db2.gz	MVMKGKGUUCYXDN-ZDUSSCGKSA-N	-1	3	463.513	5.644	50	30		JKEAHM
N#Cc1c([N-]C(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)sc2c1CCCC2	ZINC000002780744	554341767	/nfs/dbraw/zinc/34/17/67/554341767.db2.gz	SXUQHHNFGVPKLT-UHFFFAOYSA-N	-1	3	473.505	5.541	50	30		JKEAHM
N#Cc1c([N-]C(=O)c2cnn3c2nc(-c2ccc(F)cc2)cc3C(F)F)sc2c1CCC2	ZINC000002781533	554342161	/nfs/dbraw/zinc/34/21/61/554342161.db2.gz	CRLIALYOEWDBGW-UHFFFAOYSA-N	-1	3	453.449	5.147	50	30		JKEAHM
Cn1c2ccccc2s/c1=N/N=C1\C=C(c2c([O-])ccc3ccccc32)c2ccccc2C1=O	ZINC000002896114	554409792	/nfs/dbraw/zinc/40/97/92/554409792.db2.gz	USYBXCBHSZWRRV-AISAQNATSA-N	-1	3	461.546	5.684	50	30		JKEAHM
CCOC(=O)c1sc([N-]C(=O)c2oc3ccccc3c2CSCc2ccccc2)c(C#N)c1C	ZINC000003383473	554461334	/nfs/dbraw/zinc/46/13/34/554461334.db2.gz	VORVECSJEZSZIN-UHFFFAOYSA-N	-1	3	490.606	6.537	50	30		JKEAHM
O=C1[N-]/C(=N/N=C/c2ccc(-c3ccc(Br)cc3)o2)S[C@@H]1Cc1ccc(Cl)cc1	ZINC000006147861	554511119	/nfs/dbraw/zinc/51/11/19/554511119.db2.gz	NZCBTSSIBBQHIC-QVHMZZSFSA-N	-1	3	488.794	5.527	50	30		JKEAHM
COc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(Br)cc2)c1	ZINC000006282979	554525862	/nfs/dbraw/zinc/52/58/62/554525862.db2.gz	GKZMBERDROBEDI-NRFANRHFSA-N	-1	3	464.315	5.241	50	30		JKEAHM
CCCCCCCC1CCC(C(=O)Oc2ccc(/C=N/c3ccc(CCCC)cc3)c([O-])c2)CC1	ZINC000008383663	554566944	/nfs/dbraw/zinc/56/69/44/554566944.db2.gz	IAWAEKMYGYDRDB-AWSUPERCSA-N	-1	3	477.689	8.558	50	30		JKEAHM
Cc1ccc(Nc2nc(N=NCc3cccc(Cl)c3)nc([N-]c3ccc([N+](=O)[O-])cc3)n2)cc1C	ZINC000008403423	554576399	/nfs/dbraw/zinc/57/63/99/554576399.db2.gz	SGSHNXLZODTABK-VULFUBBASA-N	-1	3	488.939	5.983	50	30		JKEAHM
COc1ccccc1NC(=O)c1sc([N-]C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C#N)c1C	ZINC000008435637	554587668	/nfs/dbraw/zinc/58/76/68/554587668.db2.gz	GLAJXODHECUSMC-UHFFFAOYSA-N	-1	3	470.894	5.003	50	30		JKEAHM
C=CCc1cccc(/C=N/Nc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1[O-]	ZINC000008442479	554592134	/nfs/dbraw/zinc/59/21/34/554592134.db2.gz	YCARQPJYGJJOQC-BHGWPJFGSA-N	-1	3	482.359	5.559	50	30		JKEAHM
CCOc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(C)C2=O)cc(Br)c1[O-]	ZINC000008452972	554598579	/nfs/dbraw/zinc/59/85/79/554598579.db2.gz	GTYUYRGLSYTSDA-QPRIWKSWSA-N	-1	3	467.772	5.441	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(C)cc3)sc2c1	ZINC000008743909	554646947	/nfs/dbraw/zinc/64/69/47/554646947.db2.gz	CVZAUKPGAXXSEW-NRFANRHFSA-N	-1	3	460.580	6.012	50	30		JKEAHM
Cc1cc(C)nc(N=C([N-]C(=O)Nc2ccc(F)cc2)NCCc2c[nH]c3ccc(Cl)cc23)n1	ZINC000008758771	554660698	/nfs/dbraw/zinc/66/06/98/554660698.db2.gz	FHGIWQWSQGNKPM-UHFFFAOYSA-N	-1	3	479.947	5.200	50	30		JKEAHM
Cc1cc(C)nc(N=C([N-]C(=O)Nc2ccccc2C)NCCc2c[nH]c3ccc(Cl)cc23)n1	ZINC000008758787	554660730	/nfs/dbraw/zinc/66/07/30/554660730.db2.gz	CCWSIDPHACVWIG-UHFFFAOYSA-N	-1	3	475.984	5.369	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C)o2)cc1C	ZINC000008771699	554671525	/nfs/dbraw/zinc/67/15/25/554671525.db2.gz	LFZDUZIXJJSECQ-HSZRJFAPSA-N	-1	3	488.565	5.914	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C)o2)cc1C	ZINC000008771702	554671585	/nfs/dbraw/zinc/67/15/85/554671585.db2.gz	LFZDUZIXJJSECQ-QHCPKHFHSA-N	-1	3	488.565	5.914	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000008816726	554698820	/nfs/dbraw/zinc/69/88/20/554698820.db2.gz	FFJQZNPXQRJCRT-QFIPXVFZSA-N	-1	3	472.522	5.096	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl	ZINC000008818001	554701153	/nfs/dbraw/zinc/70/11/53/554701153.db2.gz	JQTMDMNTNVHZEN-HSZRJFAPSA-N	-1	3	462.933	5.650	50	30		JKEAHM
CCOc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000008837151	554737824	/nfs/dbraw/zinc/73/78/24/554737824.db2.gz	JNSPBYUXOALHNZ-QHCPKHFHSA-N	-1	3	486.549	5.487	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccccc3)nc2c(C)c1	ZINC000008837701	554738827	/nfs/dbraw/zinc/73/88/27/554738827.db2.gz	SDSHIHUIWLWRAT-QFIPXVFZSA-N	-1	3	458.514	5.835	50	30		JKEAHM
CCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000008838047	554739410	/nfs/dbraw/zinc/73/94/10/554739410.db2.gz	YRAUMGSNXYTQJN-HSZRJFAPSA-N	-1	3	488.565	5.996	50	30		JKEAHM
COc1cccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1	ZINC000008838186	554739556	/nfs/dbraw/zinc/73/95/56/554739556.db2.gz	GADIZTJFGZBYSJ-HSZRJFAPSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1	ZINC000008838186	554739557	/nfs/dbraw/zinc/73/95/57/554739557.db2.gz	GADIZTJFGZBYSJ-HSZRJFAPSA-N	-1	3	470.550	5.705	50	30		JKEAHM
Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C(C)(C)C)cc2)s1	ZINC000008845806	554743919	/nfs/dbraw/zinc/74/39/19/554743919.db2.gz	IBXFYBIMHUEDCZ-JLCFBVMHSA-N	-1	3	489.597	5.250	50	30		JKEAHM
Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C(C)(C)C)cc2)s1	ZINC000008845805	554744009	/nfs/dbraw/zinc/74/40/09/554744009.db2.gz	IBXFYBIMHUEDCZ-FPTDNZKUSA-N	-1	3	489.597	5.250	50	30		JKEAHM
CCCCCCOc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(CC)cc2)c1	ZINC000008846492	554745146	/nfs/dbraw/zinc/74/51/46/554745146.db2.gz	AQJMONHGXXQMSK-NDEPHWFRSA-N	-1	3	483.608	6.991	50	30		JKEAHM
CCCCCCOc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(CC)cc2)c1	ZINC000008846492	554745148	/nfs/dbraw/zinc/74/51/48/554745148.db2.gz	AQJMONHGXXQMSK-NDEPHWFRSA-N	-1	3	483.608	6.991	50	30		JKEAHM
CCCCCCOc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccccc2F)c1	ZINC000008846616	554745170	/nfs/dbraw/zinc/74/51/70/554745170.db2.gz	SNFXQKQDIARSAL-AREMUKBSSA-N	-1	3	473.544	6.568	50	30		JKEAHM
CCCCCCOc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2cccc(OC)c2)c1	ZINC000008846607	554745201	/nfs/dbraw/zinc/74/52/01/554745201.db2.gz	NJOUTNIHCXKJJB-HHHXNRCGSA-N	-1	3	485.580	6.437	50	30		JKEAHM
CCCCCCOc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cccc(OC)c2)c1	ZINC000008846607	554745202	/nfs/dbraw/zinc/74/52/02/554745202.db2.gz	NJOUTNIHCXKJJB-HHHXNRCGSA-N	-1	3	485.580	6.437	50	30		JKEAHM
CCCCCCOc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)c1	ZINC000008846619	554745519	/nfs/dbraw/zinc/74/55/19/554745519.db2.gz	XXEUMSXFRHSRPI-LJAQVGFWSA-N	-1	3	497.635	7.552	50	30		JKEAHM
CCCCCCOc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)c1	ZINC000008846619	554745521	/nfs/dbraw/zinc/74/55/21/554745521.db2.gz	XXEUMSXFRHSRPI-LJAQVGFWSA-N	-1	3	497.635	7.552	50	30		JKEAHM
CCOc1cc(-c2nc3ccccn3c2/N=C/c2cn(Cc3ccccc3)c3ccccc23)ccc1[O-]	ZINC000008853475	554749551	/nfs/dbraw/zinc/74/95/51/554749551.db2.gz	XZHLOEJDRZFKCB-BIZUNTBRSA-N	-1	3	486.575	6.859	50	30		JKEAHM
Cc1ccc(Nc2nc(N=NCc3ccccc3[N+](=O)[O-])nc([N-]c3ccc([N+](=O)[O-])cc3)n2)cc1C	ZINC000008872888	554769706	/nfs/dbraw/zinc/76/97/06/554769706.db2.gz	UPQOVZSODBJZQX-AFUMVMLFSA-N	-1	3	499.491	5.238	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(C)cc3)sc2c1	ZINC000008894375	554783420	/nfs/dbraw/zinc/78/34/20/554783420.db2.gz	SIYJUPRMLSOBBH-QHCPKHFHSA-N	-1	3	472.541	6.089	50	30		JKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(C(C)C)cc2)no1	ZINC000008914202	554807304	/nfs/dbraw/zinc/80/73/04/554807304.db2.gz	YWJYIEJXTVJOJX-DEOSSOPVSA-N	-1	3	460.530	5.677	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3cccc(OC)c3)sc2c1	ZINC000008918959	554815770	/nfs/dbraw/zinc/81/57/70/554815770.db2.gz	DGCWSZMVWGONPO-JOCHJYFZSA-N	-1	3	472.522	5.096	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3cccc(OC)c3)sc2c1	ZINC000008918962	554815805	/nfs/dbraw/zinc/81/58/05/554815805.db2.gz	DGCWSZMVWGONPO-QFIPXVFZSA-N	-1	3	472.522	5.096	50	30		JKEAHM
CCOc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000008973604	554844562	/nfs/dbraw/zinc/84/45/62/554844562.db2.gz	ZFGQOIMSYQACQY-QHCPKHFHSA-N	-1	3	470.550	5.786	50	30		JKEAHM
CCCOc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000008973570	554844621	/nfs/dbraw/zinc/84/46/21/554844621.db2.gz	NPXGQEUTJWVZRM-QFIPXVFZSA-N	-1	3	490.606	6.238	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2)cc1	ZINC000008973690	554844945	/nfs/dbraw/zinc/84/49/45/554844945.db2.gz	WEIJMRNTKMTQSZ-QHCPKHFHSA-N	-1	3	470.550	5.786	50	30		JKEAHM
Cc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000008973906	554845300	/nfs/dbraw/zinc/84/53/00/554845300.db2.gz	UVBIAGYAVCEFCZ-QHCPKHFHSA-N	-1	3	454.551	6.004	50	30		JKEAHM
Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000008973906	554845301	/nfs/dbraw/zinc/84/53/01/554845301.db2.gz	UVBIAGYAVCEFCZ-QHCPKHFHSA-N	-1	3	454.551	6.004	50	30		JKEAHM
CCCOc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000008973921	554845353	/nfs/dbraw/zinc/84/53/53/554845353.db2.gz	HMIBVTPOBBEZOG-VWLOTQADSA-N	-1	3	498.604	6.485	50	30		JKEAHM
CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000008973921	554845355	/nfs/dbraw/zinc/84/53/55/554845355.db2.gz	HMIBVTPOBBEZOG-VWLOTQADSA-N	-1	3	498.604	6.485	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000008983857	554847898	/nfs/dbraw/zinc/84/78/98/554847898.db2.gz	NQZLLVLZZNARJB-RUZDIDTESA-N	-1	3	482.605	6.819	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000008983857	554847900	/nfs/dbraw/zinc/84/79/00/554847900.db2.gz	NQZLLVLZZNARJB-RUZDIDTESA-N	-1	3	482.605	6.819	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1Cl	ZINC000008987709	554850128	/nfs/dbraw/zinc/85/01/28/554850128.db2.gz	LEXPCQUSXLQCKQ-QFIPXVFZSA-N	-1	3	497.016	6.328	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccccc3OC)sc2c1	ZINC000008988358	554850892	/nfs/dbraw/zinc/85/08/92/554850892.db2.gz	DIJHAFHBSPUOKE-HSZRJFAPSA-N	-1	3	486.549	5.487	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccccc3OC)sc2c1	ZINC000008988364	554850944	/nfs/dbraw/zinc/85/09/44/554850944.db2.gz	DIJHAFHBSPUOKE-QHCPKHFHSA-N	-1	3	486.549	5.487	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C)o2)c1	ZINC000008996627	554857656	/nfs/dbraw/zinc/85/76/56/554857656.db2.gz	ZSNMPRPBVDIQJR-OAQYLSRUSA-N	-1	3	460.511	5.298	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@H]3c3cccs3)sc2c1	ZINC000008996674	554857672	/nfs/dbraw/zinc/85/76/72/554857672.db2.gz	GENSGOYAFZDWQL-OAQYLSRUSA-N	-1	3	492.578	5.466	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3ccccc3)sc2c1	ZINC000008996625	554857732	/nfs/dbraw/zinc/85/77/32/554857732.db2.gz	DRUFIBHZBCFXSY-HSZRJFAPSA-N	-1	3	470.550	5.650	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000009007638	554860936	/nfs/dbraw/zinc/86/09/36/554860936.db2.gz	UOCWMZNBLGMXMY-XMMPIXPASA-N	-1	3	468.578	6.511	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000009007638	554860940	/nfs/dbraw/zinc/86/09/40/554860940.db2.gz	UOCWMZNBLGMXMY-XMMPIXPASA-N	-1	3	468.578	6.511	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(C(C)C)cc3)nc2c(C)c1	ZINC000009007628	554861012	/nfs/dbraw/zinc/86/10/12/554861012.db2.gz	BRUWCAVRXSXJQE-QHCPKHFHSA-N	-1	3	488.634	6.881	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(C(C)C)cc3)nc2c(C)c1	ZINC000009007628	554861015	/nfs/dbraw/zinc/86/10/15/554861015.db2.gz	BRUWCAVRXSXJQE-QHCPKHFHSA-N	-1	3	488.634	6.881	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000009007829	554861294	/nfs/dbraw/zinc/86/12/94/554861294.db2.gz	SGXASFLAEMHQRY-QFIPXVFZSA-N	-1	3	474.513	5.535	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000009007949	554861598	/nfs/dbraw/zinc/86/15/98/554861598.db2.gz	YZYWMEPGFDERML-HXUWFJFHSA-N	-1	3	462.552	5.458	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000009008065	554862230	/nfs/dbraw/zinc/86/22/30/554862230.db2.gz	IANCBQKBNFILIX-DEOSSOPVSA-N	-1	3	482.605	6.685	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000009008065	554862232	/nfs/dbraw/zinc/86/22/32/554862232.db2.gz	IANCBQKBNFILIX-DEOSSOPVSA-N	-1	3	482.605	6.685	50	30		JKEAHM
O=C1C(=O)N(c2ccc(I)cc2)[C@H](c2ccccc2)C1=C([O-])c1ccccc1	ZINC000009380195	555142215	/nfs/dbraw/zinc/14/22/15/555142215.db2.gz	VWUNQCAJDZGZLG-HXUWFJFHSA-N	-1	3	481.289	5.074	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C)o2)cc1C	ZINC000009464145	555235670	/nfs/dbraw/zinc/23/56/70/555235670.db2.gz	ZLTMIJHUQOCGIR-QFIPXVFZSA-N	-1	3	474.538	5.606	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3ccc(C)cc3)sc2c1	ZINC000013548557	555490492	/nfs/dbraw/zinc/49/04/92/555490492.db2.gz	IUQYTBUFMJYWCO-DEOSSOPVSA-N	-1	3	484.577	5.959	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(C)cc3)sc2c1	ZINC000013548557	555490494	/nfs/dbraw/zinc/49/04/94/555490494.db2.gz	IUQYTBUFMJYWCO-DEOSSOPVSA-N	-1	3	484.577	5.959	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(OC)c2)c1	ZINC000013569169	555507526	/nfs/dbraw/zinc/50/75/26/555507526.db2.gz	GXWKBAAUGSZOFO-QHCPKHFHSA-N	-1	3	486.549	5.405	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cccs3)sc2c1	ZINC000013570753	555509098	/nfs/dbraw/zinc/50/90/98/555509098.db2.gz	LOKHIAZYNOPXBG-GOSISDBHSA-N	-1	3	452.582	5.765	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccc(OC)cc3)sc2c1	ZINC000013571175	555509637	/nfs/dbraw/zinc/50/96/37/555509637.db2.gz	ANGVJQTTWWFFAV-XMMPIXPASA-N	-1	3	484.577	5.959	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(OC)cc3)sc2c1	ZINC000013571175	555509638	/nfs/dbraw/zinc/50/96/38/555509638.db2.gz	ANGVJQTTWWFFAV-XMMPIXPASA-N	-1	3	484.577	5.959	50	30		JKEAHM
COc1ccc([C@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1	ZINC000013592239	555526779	/nfs/dbraw/zinc/52/67/79/555526779.db2.gz	GCPXTLBSNXVMGC-CJFMBICVSA-N	-1	3	463.537	5.545	50	30		JKEAHM
N#Cc1c([N-]C(=O)c2cc(-c3ccco3)nc3onc(-c4ccccc4)c32)sc2c1CCC2	ZINC000013641289	555547563	/nfs/dbraw/zinc/54/75/63/555547563.db2.gz	WFDLOEOPNADQSX-UHFFFAOYSA-N	-1	3	452.495	5.824	50	30		JKEAHM
[O-][C@]1(C(F)(F)F)CC(c2ccc(F)cc2)=NN1c1nc(-c2cccs2)cc(C(F)(F)F)n1	ZINC000013643048	555548532	/nfs/dbraw/zinc/54/85/32/555548532.db2.gz	ZDEJHWIURVMLMQ-KRWDZBQOSA-N	-1	3	476.377	5.228	50	30		JKEAHM
O=C1c2ccc([O-])c(CN3CCCCC3)c2O/C1=C\c1cc2cc(Br)ccc2o1	ZINC000013655286	555554944	/nfs/dbraw/zinc/55/49/44/555554944.db2.gz	DXQJCTRYUOIBLG-MTJSOVHGSA-N	-1	3	454.320	5.503	50	30		JKEAHM
CC(N=Nc1nc2ccc(Br)cc2c(-c2ccccc2)n1)c1c([O-])ccc2ccccc21	ZINC000013765320	555613167	/nfs/dbraw/zinc/61/31/67/555613167.db2.gz	HSVWVJCZRWETLY-UHBFCERESA-N	-1	3	483.369	6.754	50	30		JKEAHM
Cc1cc(C)nc(N=C([N-]C(=O)Nc2ccc(Cl)c(Cl)c2)Nc2ccccc2Cl)n1	ZINC000013899007	555645464	/nfs/dbraw/zinc/64/54/64/555645464.db2.gz	FNEOWWMZLGGAHJ-UHFFFAOYSA-N	-1	3	463.756	6.166	50	30		JKEAHM
CCOc1cc(/C=C2\CCC/C(=C/c3cc(Cl)c(O)c(OCC)c3)C2=O)cc(Cl)c1[O-]	ZINC000013914886	555646723	/nfs/dbraw/zinc/64/67/23/555646723.db2.gz	UBNIWCQGNMPLDO-VAQFQWRASA-N	-1	3	463.357	6.422	50	30		JKEAHM
CCOc1cc(/C=C2/CCC/C(=C\c3cc(Cl)c(O)c(OCC)c3)C2=O)cc(Cl)c1[O-]	ZINC000013914886	555646725	/nfs/dbraw/zinc/64/67/25/555646725.db2.gz	UBNIWCQGNMPLDO-VAQFQWRASA-N	-1	3	463.357	6.422	50	30		JKEAHM
[O-]c1ccc(Br)cc1C=NNc1cc(N2CCCCCC2)nc(N2CCCCCC2)n1	ZINC000023634203	556080675	/nfs/dbraw/zinc/08/06/75/556080675.db2.gz	WTVXIUKQVRHKID-KOEQRZSOSA-N	-1	3	487.446	5.152	50	30		JKEAHM
CCc1ccc([C@@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1	ZINC000016729574	556155305	/nfs/dbraw/zinc/15/53/05/556155305.db2.gz	IPEITWCYDYHIBV-OAQYLSRUSA-N	-1	3	476.554	5.008	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(I)cc3)[C@H]2c2ccccc2)cc1	ZINC000016994884	556199051	/nfs/dbraw/zinc/19/90/51/556199051.db2.gz	LWPQMKMFSWMBBW-NRFANRHFSA-N	-1	3	495.316	5.383	50	30		JKEAHM
C=CCn1c(CSc2nc3sc(C)c(C)c3c(=O)[n-]2)nnc1SC/C=C/c1ccccc1	ZINC000017147120	556226407	/nfs/dbraw/zinc/22/64/07/556226407.db2.gz	AMPOXHBNJZMRAJ-DHZHZOJOSA-N	-1	3	481.672	5.477	50	30		JKEAHM
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C([O-])=C3ON2c2ccccc2C)cc1	ZINC000017969501	556273493	/nfs/dbraw/zinc/27/34/93/556273493.db2.gz	TWFMEZWEOBBCSZ-SDHSZQHLSA-N	-1	3	483.593	5.167	50	30		JKEAHM
Cc1cc(I)cc(/C=N/c2ccc(Cl)c(NC(=O)c3ccccc3)c2)c1[O-]	ZINC000027501004	556281791	/nfs/dbraw/zinc/28/17/91/556281791.db2.gz	YWXFDMSSBSRGHB-WYMPLXKRSA-N	-1	3	490.728	5.962	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@@H]2c1cccc(Cl)c1Cl	ZINC000018195392	556302414	/nfs/dbraw/zinc/30/24/14/556302414.db2.gz	ZTOUITBSUSLXAS-GOSISDBHSA-N	-1	3	454.357	5.673	50	30		JKEAHM
COc1cc([C@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1	ZINC000018195640	556302583	/nfs/dbraw/zinc/30/25/83/556302583.db2.gz	NMGSVGCNLKFKLG-AREMUKBSSA-N	-1	3	493.563	5.318	50	30		JKEAHM
O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3cccs3)C1)[C@@H]2c1ccc(Cl)cc1	ZINC000018196275	556303176	/nfs/dbraw/zinc/30/31/76/556303176.db2.gz	WQBPDFPLEBVZCE-AOMKIAJQSA-N	-1	3	473.985	5.839	50	30		JKEAHM
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH][n-]c(=O)c2[C@H]3c2cccc(Cl)c2Cl)cc1OC	ZINC000018196954	556303454	/nfs/dbraw/zinc/30/34/54/556303454.db2.gz	MQEHMFYPBTZGAV-BUXKBTBVSA-N	-1	3	486.355	5.398	50	30		JKEAHM
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH][n-]c(=O)c2[C@H]3c2ccc(Cl)cc2Cl)cc1OC	ZINC000018197090	556303729	/nfs/dbraw/zinc/30/37/29/556303729.db2.gz	MBCWWJXRRKCFAH-YUNKPMOVSA-N	-1	3	486.355	5.398	50	30		JKEAHM
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH][n-]c(=O)c2[C@H]3c2c(Cl)cccc2Cl)cc1OC	ZINC000018197086	556303790	/nfs/dbraw/zinc/30/37/90/556303790.db2.gz	RVHRDBLOVXIWLL-QKVFXAPYSA-N	-1	3	486.355	5.398	50	30		JKEAHM
O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)C[C@H](c3cccs3)C1)[C@@H]2c1cccc(F)c1	ZINC000018200570	556308320	/nfs/dbraw/zinc/30/83/20/556308320.db2.gz	UWMAJMRYCMSLOD-ZHRRBRCNSA-N	-1	3	457.530	5.324	50	30		JKEAHM
COc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc(Br)c1[O-]	ZINC000019535919	556353064	/nfs/dbraw/zinc/35/30/64/556353064.db2.gz	NTHOJDDTSHWATM-OAQYLSRUSA-N	-1	3	490.394	5.007	50	30		JKEAHM
N#Cc1ccc(C(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2N2CCCCC2)cc1	ZINC000008687966	562953587	/nfs/dbraw/zinc/95/35/87/562953587.db2.gz	YQMFTBGZOULHIX-UHFFFAOYSA-N	-1	3	495.004	5.255	50	30	aggregator	JKEAHM
Cc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000008441683	569590381	/nfs/dbraw/zinc/59/03/81/569590381.db2.gz	IWDMQIXXZKQUFF-VWLOTQADSA-N	-1	3	494.572	6.751	50	30		JKEAHM
Cc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000008441683	569590382	/nfs/dbraw/zinc/59/03/82/569590382.db2.gz	IWDMQIXXZKQUFF-VWLOTQADSA-N	-1	3	494.572	6.751	50	30		JKEAHM
CN(C)c1ccc([C@H]2C(=C([O-])c3cccc4cc5ccccc5cc43)C(=O)C(=O)N2c2ccccc2)cc1	ZINC000008701197	569593704	/nfs/dbraw/zinc/59/37/04/569593704.db2.gz	APIWUTFROFZSSW-PMERELPUSA-N	-1	3	498.582	6.842	50	30		JKEAHM
CN(C)c1ccc([C@H]2C(C(=O)c3cccc4cc5ccccc5cc43)=C([O-])C(=O)N2c2ccccc2)cc1	ZINC000008701197	569593705	/nfs/dbraw/zinc/59/37/05/569593705.db2.gz	APIWUTFROFZSSW-PMERELPUSA-N	-1	3	498.582	6.842	50	30		JKEAHM
CC(=CN=Nc1nc([N-]c2ccc([N+](=O)[O-])cc2)nc(Nc2ccc(C)c(C)c2)n1)Cc1ccccc1	ZINC000008702680	569593839	/nfs/dbraw/zinc/59/38/39/569593839.db2.gz	RUAJYGLXLIIOSS-VBSJGTJKSA-N	-1	3	494.559	6.385	50	30		JKEAHM
C=CCc1cccc([C@H]2OC(c3cccc(NC(=O)c4ccc(Cl)cc4)c3)=NN2C(C)=O)c1[O-]	ZINC000064567365	569619701	/nfs/dbraw/zinc/61/97/01/569619701.db2.gz	KWWPMWGVTCSGHI-AREMUKBSSA-N	-1	3	475.932	5.266	50	30		JKEAHM
CCOCCCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(F)cc1	ZINC000078549880	569706281	/nfs/dbraw/zinc/70/62/81/569706281.db2.gz	RLBGCGIAKZZHPR-IBGZPJMESA-N	-1	3	452.309	5.137	50	30		JKEAHM
[O-]c1ccc(Br)cc1/C=N/c1ccc(-c2nn3c(nnc3C(F)(F)F)s2)cc1	ZINC000095471415	569723433	/nfs/dbraw/zinc/72/34/33/569723433.db2.gz	WEAWYFVTCOGSCK-GZIVZEMBSA-N	-1	3	468.258	5.090	50	30		JKEAHM
COc1cc(/N=C/c2cc(Br)ccc2[O-])ccc1NC(=O)c1cc2ccccc2o1	ZINC000095482061	569724863	/nfs/dbraw/zinc/72/48/63/569724863.db2.gz	YRESOHAQAFUIIP-DHRITJCHSA-N	-1	3	465.303	5.912	50	30		JKEAHM
COc1ccc(C(=O)NC([N-]c2ccc(C(F)(F)F)cc2)(C(F)(F)F)C(F)(F)F)cc1	ZINC000095725688	569728703	/nfs/dbraw/zinc/72/87/03/569728703.db2.gz	FNGOOHMJKKQDBD-UHFFFAOYSA-N	-1	3	460.296	5.377	50	30		JKEAHM
CCCCCCCCN1C(=O)N(C2CCCCC2)[C@@H](N([O-])C(=O)NC2CCCCC2)C1(C)C	ZINC000097949789	569747050	/nfs/dbraw/zinc/74/70/50/569747050.db2.gz	GMJLMVJYTZDXCC-QHCPKHFHSA-N	-1	3	464.695	6.255	50	30		JKEAHM
CCCCCCCCOc1ccc(/C=C2/SC(=S)N([N-]C(=O)c3ccncc3)C2=O)cc1	ZINC000097971148	569748263	/nfs/dbraw/zinc/74/82/63/569748263.db2.gz	NOJDEBZNDMSVGA-HEHNFIMWSA-N	-1	3	469.632	5.367	50	30		JKEAHM
CCCCCCCCCCOc1ccc(C2=N/C(=C\c3cc(Cl)ccc3[O-])C(=O)O2)cc1	ZINC000097997768	569749083	/nfs/dbraw/zinc/74/90/83/569749083.db2.gz	DRGNNZUYTQWIFF-NKFKGCMQSA-N	-1	3	455.982	6.910	50	30		JKEAHM
O=C(Nc1cccc(Cl)c1Cl)C(=N[N-]c1cccc(C(F)(F)F)c1)C(=O)C(F)(F)F	ZINC000100405145	569759254	/nfs/dbraw/zinc/75/92/54/569759254.db2.gz	QDCFIJRFZBKUHE-QDTIIGTASA-N	-1	3	472.172	5.550	50	30		JKEAHM
COc1cc([C@H]2C(C(=O)C=Cc3ccccc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)ccc1O	ZINC000100297645	569756894	/nfs/dbraw/zinc/75/68/94/569756894.db2.gz	XQNSFIGBOGVVAO-YKATVRGKSA-N	-1	3	495.453	5.602	50	30		JKEAHM
COc1cc([C@H]2C(=C([O-])C=Cc3ccccc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)ccc1O	ZINC000100297645	569756895	/nfs/dbraw/zinc/75/68/95/569756895.db2.gz	XQNSFIGBOGVVAO-YKATVRGKSA-N	-1	3	495.453	5.602	50	30		JKEAHM
COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3cccc([O-])c3)N(C3CCCCC3)C1=O)S2	ZINC000100367576	569758233	/nfs/dbraw/zinc/75/82/33/569758233.db2.gz	NFOVGACMIUBESY-QDJRPKQISA-N	-1	3	467.616	5.708	50	30		JKEAHM
CCOc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c1[O-]	ZINC000100502196	569762913	/nfs/dbraw/zinc/76/29/13/569762913.db2.gz	WOIVOFBWONMYII-BRJLIKDPSA-N	-1	3	471.738	6.766	50	30		JKEAHM
CC(C)(C)c1ccc([O-])c(/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)c1	ZINC000100507101	569763149	/nfs/dbraw/zinc/76/31/49/569763149.db2.gz	PZPWLSSLKPAESY-CVKSISIWSA-N	-1	3	452.348	6.422	50	30		JKEAHM
CCCCCCCCCCCCCCCCOc1ccc([N-]S(=O)(=O)c2ccc(N)cc2)cc1	ZINC000100723507	569768003	/nfs/dbraw/zinc/76/80/03/569768003.db2.gz	XVKXYIHDBVFTHY-UHFFFAOYSA-N	-1	3	488.738	7.930	50	30		JKEAHM
CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC=CC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1	ZINC000100789424	569770012	/nfs/dbraw/zinc/77/00/12/569770012.db2.gz	ULYXBWXUBNQIEQ-SEYXRHQNSA-N	-1	3	489.380	5.805	50	30		JKEAHM
Cc1ccc(N=C2C=C([N-]S(=O)(=O)c3ccc(Br)cc3)c3ccccc3C2=O)c(C)c1	ZINC000100822209	569771419	/nfs/dbraw/zinc/77/14/19/569771419.db2.gz	TXONOBKPUWFOJI-QYQHSDTDSA-N	-1	3	495.398	5.436	50	30		JKEAHM
CCCCc1ccc(N=C2C=C([N-]S(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1	ZINC000100822453	569771545	/nfs/dbraw/zinc/77/15/45/569771545.db2.gz	YFMIEVXTTCNVSB-QLYXXIJNSA-N	-1	3	450.585	5.461	50	30		JKEAHM
O=C1C(=O)N(c2ccccc2)[C@@H](c2ccc(Br)cc2)C1=C([O-])C=Cc1ccccc1	ZINC000101069750	569781030	/nfs/dbraw/zinc/78/10/30/569781030.db2.gz	GICYCQBOGHUQSU-VCLBYKBQSA-N	-1	3	460.327	5.632	50	30		JKEAHM
O=C1C(=O)N(c2ccccc2)[C@H](c2ccc(Br)cc2)C1=C([O-])C=Cc1ccccc1	ZINC000101069751	569781069	/nfs/dbraw/zinc/78/10/69/569781069.db2.gz	GICYCQBOGHUQSU-BCXXCYPGSA-N	-1	3	460.327	5.632	50	30		JKEAHM
CN(C)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000101069965	569781124	/nfs/dbraw/zinc/78/11/24/569781124.db2.gz	IVDKVZHEYGZEMJ-MOBKVPTQSA-N	-1	3	477.358	5.141	50	30		JKEAHM
CN(C)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000101069965	569781125	/nfs/dbraw/zinc/78/11/25/569781125.db2.gz	IVDKVZHEYGZEMJ-MOBKVPTQSA-N	-1	3	477.358	5.141	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000101072646	569781357	/nfs/dbraw/zinc/78/13/57/569781357.db2.gz	OHZSTCRZCLQIST-HOGKFDNTSA-N	-1	3	462.343	5.692	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000101072646	569781359	/nfs/dbraw/zinc/78/13/59/569781359.db2.gz	OHZSTCRZCLQIST-HOGKFDNTSA-N	-1	3	462.343	5.692	50	30		JKEAHM
C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000101287288	569789276	/nfs/dbraw/zinc/78/92/76/569789276.db2.gz	ZLTWRLKYDFLAHE-NPJIAGGLSA-N	-1	3	454.526	5.396	50	30		JKEAHM
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000101287288	569789278	/nfs/dbraw/zinc/78/92/78/569789278.db2.gz	ZLTWRLKYDFLAHE-NPJIAGGLSA-N	-1	3	454.526	5.396	50	30		JKEAHM
C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000101287237	569789367	/nfs/dbraw/zinc/78/93/67/569789367.db2.gz	SJJVKVHUQQCWPE-IUKMQXEJSA-N	-1	3	468.553	5.570	50	30		JKEAHM
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000101287237	569789368	/nfs/dbraw/zinc/78/93/68/569789368.db2.gz	SJJVKVHUQQCWPE-IUKMQXEJSA-N	-1	3	468.553	5.570	50	30		JKEAHM
C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000101287302	569789529	/nfs/dbraw/zinc/78/95/29/569789529.db2.gz	PMVOXODZPGFDFP-NXLSWJSLSA-N	-1	3	458.514	5.298	50	30		JKEAHM
C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc4ccccc4c3)C(=O)C(=O)N2c2cc(C)on2)cc1	ZINC000101294385	569790058	/nfs/dbraw/zinc/79/00/58/569790058.db2.gz	VRJGKBBZTNVHSS-NPJIAGGLSA-N	-1	3	466.493	5.327	50	30		JKEAHM
C=CCOc1cccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000101314080	569792552	/nfs/dbraw/zinc/79/25/52/569792552.db2.gz	GFVPDXRRTFQCOZ-MOBKVPTQSA-N	-1	3	488.590	5.857	50	30		JKEAHM
CCCCCCCCCCCCCCCCCCNC(=O)c1cc(O)c2ccccc2c1[O-]	ZINC000101902242	569807700	/nfs/dbraw/zinc/80/77/00/569807700.db2.gz	SLQNQCAJWLUQID-UHFFFAOYSA-N	-1	3	455.683	8.242	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@H]2c1ccc(Br)cc1	ZINC000102449835	569813297	/nfs/dbraw/zinc/81/32/97/569813297.db2.gz	TTZOFSHYZBCAQM-IBGZPJMESA-N	-1	3	464.363	5.129	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000102860470	569824801	/nfs/dbraw/zinc/82/48/01/569824801.db2.gz	ASRCRCSQFIRTGO-MOBKVPTQSA-N	-1	3	488.634	6.590	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000102860470	569824802	/nfs/dbraw/zinc/82/48/02/569824802.db2.gz	ASRCRCSQFIRTGO-MOBKVPTQSA-N	-1	3	488.634	6.590	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccccc3)nc2c(C)c1	ZINC000102861686	569824982	/nfs/dbraw/zinc/82/49/82/569824982.db2.gz	PUANGZHISMKGFN-HFEWCJDKSA-N	-1	3	458.514	5.679	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccccc2)cc1	ZINC000102864941	569825612	/nfs/dbraw/zinc/82/56/12/569825612.db2.gz	ZBBYFGPIURDSAY-ZHHPLPSFSA-N	-1	3	486.549	5.330	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2F)cc1C	ZINC000102868969	569825725	/nfs/dbraw/zinc/82/57/25/569825725.db2.gz	HEERTFCUCUHPSX-AYWGPLOBSA-N	-1	3	488.540	5.687	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3ccccc3)sc2c1	ZINC000102873932	569826081	/nfs/dbraw/zinc/82/60/81/569826081.db2.gz	DKRHQVNBEMSQAC-AYWGPLOBSA-N	-1	3	486.549	5.330	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102875796	569826439	/nfs/dbraw/zinc/82/64/39/569826439.db2.gz	DXBDLTNNHAQFEW-IAMBOQNYSA-N	-1	3	474.538	5.449	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102928981	569827398	/nfs/dbraw/zinc/82/73/98/569827398.db2.gz	UJSAITMZOOQINS-MOBKVPTQSA-N	-1	3	474.607	6.416	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102928981	569827400	/nfs/dbraw/zinc/82/74/00/569827400.db2.gz	UJSAITMZOOQINS-MOBKVPTQSA-N	-1	3	474.607	6.416	50	30		JKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2ccc(C(C)(C)C)cc2)sc1C	ZINC000102928860	569827437	/nfs/dbraw/zinc/82/74/37/569827437.db2.gz	XIWSTYFKTWSQQX-LFVOPCPISA-N	-1	3	452.601	5.745	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccccc3)sc2c1	ZINC000102929739	569827904	/nfs/dbraw/zinc/82/79/04/569827904.db2.gz	CUCVZVPPCRQSJM-ZHHPLPSFSA-N	-1	3	470.550	5.630	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC	ZINC000102931928	569828623	/nfs/dbraw/zinc/82/86/23/569828623.db2.gz	GAMSXWJMNNCKEN-AYWGPLOBSA-N	-1	3	486.549	5.248	50	30		JKEAHM
COc1cccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000102932807	569828852	/nfs/dbraw/zinc/82/88/52/569828852.db2.gz	DWQVJWWNQXPZSZ-MOBKVPTQSA-N	-1	3	456.523	5.240	50	30		JKEAHM
COc1cccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000102932807	569828853	/nfs/dbraw/zinc/82/88/53/569828853.db2.gz	DWQVJWWNQXPZSZ-MOBKVPTQSA-N	-1	3	456.523	5.240	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000102933170	569829048	/nfs/dbraw/zinc/82/90/48/569829048.db2.gz	BBEYTQMGOHPWPO-JBCNATCCSA-N	-1	3	471.494	5.139	50	30		JKEAHM
O=C1c2ccccc2C([N-]S(=O)(=O)c2ccc(Cl)cc2)=CC1=Nc1ccc(Cl)c(Cl)c1	ZINC000103321401	569834547	/nfs/dbraw/zinc/83/45/47/569834547.db2.gz	UIUNNAJAPWAYGQ-OOAXWGSJSA-N	-1	3	491.783	6.017	50	30		JKEAHM
CCOc1cc(Br)c(Br)c(/C=N/c2cccc(C(F)(F)F)c2)c1[O-]	ZINC000103761741	569837767	/nfs/dbraw/zinc/83/77/67/569837767.db2.gz	SIPXRIJMUUJNGD-GZIVZEMBSA-N	-1	3	467.079	6.085	50	30		JKEAHM
Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C([O-])=C3ON2c2ccccc2C)cc1	ZINC000137645594	569865075	/nfs/dbraw/zinc/86/50/75/569865075.db2.gz	TWFMEZWEOBBCSZ-ISJGIBHGSA-N	-1	3	483.593	5.167	50	30		JKEAHM
[O-]c1c(CN=Nc2nc3ccc(Br)cc3c(-c3ccccc3)n2)ccc2ccccc21	ZINC000252591627	570083967	/nfs/dbraw/zinc/08/39/67/570083967.db2.gz	BBNZUVWQMUGLKD-UHFFFAOYSA-N	-1	3	469.342	6.364	50	30		JKEAHM
CCCN1C(=O)/C(=C/c2cc(Cl)c([O-])c(OCC)c2)SC1=Nc1ccc(OCC)cc1	ZINC000252598769	570084775	/nfs/dbraw/zinc/08/47/75/570084775.db2.gz	DDOLZHUCQOUFHO-VASVRFFCSA-N	-1	3	460.983	5.857	50	30		JKEAHM
Cc1ccccc1N=C1S/C(=C/c2cc([O-])ccc2Br)C(=O)N1c1ccccc1C	ZINC000252610561	570086007	/nfs/dbraw/zinc/08/60/07/570086007.db2.gz	ICPAJAORVHVTMP-IGUOQJQCSA-N	-1	3	479.399	6.580	50	30		JKEAHM
Cc1ccc(N=C2S/C(=C/c3cc([O-])ccc3Br)C(=O)N2c2ccc(C)cc2)cc1	ZINC000252613761	570086434	/nfs/dbraw/zinc/08/64/34/570086434.db2.gz	JDVOENNSCPAFDC-IGUOQJQCSA-N	-1	3	479.399	6.580	50	30		JKEAHM
COc1cc(-c2nc3ccccn3c2N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1[O-]	ZINC000252620503	570087151	/nfs/dbraw/zinc/08/71/51/570087151.db2.gz	MFCJKSXAZUCNCY-UHFFFAOYSA-N	-1	3	454.442	5.634	50	30		JKEAHM
O=C(Nc1cc(N=Cc2c([O-])ccc3ccccc32)c(Cl)cc1Cl)c1ccc(Cl)cc1	ZINC000252620991	570087293	/nfs/dbraw/zinc/08/72/93/570087293.db2.gz	MQKQBVOVIKNEFL-UHFFFAOYSA-N	-1	3	469.755	7.509	50	30		JKEAHM
[O-]c1ccc(Br)cc1C=Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1	ZINC000252625677	570088449	/nfs/dbraw/zinc/08/84/49/570088449.db2.gz	QOXPMAWAJYRIRY-UHFFFAOYSA-N	-1	3	462.130	7.020	50	30		JKEAHM
CC(=CN=Nc1nc([N-]c2ccc([N+](=O)[O-])cc2)nc(Nc2ccc(C)c(C)c2)n1)Cc1ccccc1	ZINC000252627437	570088648	/nfs/dbraw/zinc/08/86/48/570088648.db2.gz	RUAJYGLXLIIOSS-DFILDZPKSA-N	-1	3	494.559	6.385	50	30		JKEAHM
CCOc1cc(Br)cc(C=Nc2ccc3oc(-c4cccc(F)c4)nc3c2)c1[O-]	ZINC000252628881	570088940	/nfs/dbraw/zinc/08/89/40/570088940.db2.gz	SZZRDKLDXXLGKM-UHFFFAOYSA-N	-1	3	455.283	6.251	50	30		JKEAHM
COc1cc(Br)c([O-])c(/C=C2/SC(=Nc3ccc(Cl)cc3)N(C)C2=O)c1	ZINC000252628890	570088947	/nfs/dbraw/zinc/08/89/47/570088947.db2.gz	TTYXAINYDCNIHC-SVQIGFJBSA-N	-1	3	453.745	5.051	50	30		JKEAHM
CCOc1cc(Br)cc(C=Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)c1[O-]	ZINC000252629700	570089179	/nfs/dbraw/zinc/08/91/79/570089179.db2.gz	ULRSBYPSZFSOQW-UHFFFAOYSA-N	-1	3	455.283	6.251	50	30		JKEAHM
O=[N+]([O-])c1ccc(-c2sc(N=Cc3c([O-])ccc4ccccc43)nc2-c2ccc(Cl)cc2)cc1	ZINC000252632416	570089538	/nfs/dbraw/zinc/08/95/38/570089538.db2.gz	VSZBKJFQQPLBTE-UHFFFAOYSA-N	-1	3	485.952	7.648	50	30		JKEAHM
CCOc1cc(Br)cc(C=Nc2ccc3oc(-c4cccc(C)c4)nc3c2)c1[O-]	ZINC000252642972	570090686	/nfs/dbraw/zinc/09/06/86/570090686.db2.gz	ZSEOUBKLOFZGBD-UHFFFAOYSA-N	-1	3	451.320	6.421	50	30		JKEAHM
CSC(=Nc1ccccc1)NN=Cc1cc(C)cc(C=NN[C@H](Nc2ccccc2)SC)c1[O-]	ZINC000252678046	570094160	/nfs/dbraw/zinc/09/41/60/570094160.db2.gz	CQSBUOCVPAJYGX-DEOSSOPVSA-N	-1	3	492.674	5.357	50	30		JKEAHM
CCc1c(C)sc([N-]C(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)c1C#N	ZINC000000997470	194000310	/nfs/dbraw/zinc/00/03/10/194000310.db2.gz	WDKALNLZANQEJL-UHFFFAOYSA-N	-1	3	461.494	5.533	50	30		JKEAHM
CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Br)c([O-])c(OC)c1	ZINC000002796105	194165746	/nfs/dbraw/zinc/16/57/46/194165746.db2.gz	FIFXTWPTQRXQQP-FQEVSTJZSA-N	-1	3	492.410	5.111	50	30		JKEAHM
O=C(OCC(F)(F)C(F)F)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1	ZINC000003206123	194238957	/nfs/dbraw/zinc/23/89/57/194238957.db2.gz	JSTHNLTZIGDFON-UHFFFAOYSA-N	-1	3	493.784	5.217	50	30		JKEAHM
Cc1ccccc1-c1nc2cc(/N=C/c3cc(I)ccc3[O-])ccc2o1	ZINC000003113243	194227156	/nfs/dbraw/zinc/22/71/56/194227156.db2.gz	AHLGKDKDGDXJSH-FSJBWODESA-N	-1	3	454.267	5.864	50	30		JKEAHM
Cc1cccc2oc(-c3ccc(/N=C/c4cc(I)ccc4[O-])cc3)nc21	ZINC000003114052	194227259	/nfs/dbraw/zinc/22/72/59/194227259.db2.gz	RHWGJIVVFUFMJO-FSJBWODESA-N	-1	3	454.267	5.864	50	30		JKEAHM
CCCCCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc21	ZINC000003277192	194260498	/nfs/dbraw/zinc/26/04/98/194260498.db2.gz	GZFYYDVKFYVLGM-UHFFFAOYSA-N	-1	3	457.592	6.286	50	30		JKEAHM
Cc1c2cc(Br)ccc2oc1C(=O)[N-]c1nnc(SCc2ccc(C#N)cc2)s1	ZINC000003432102	194322658	/nfs/dbraw/zinc/32/26/58/194322658.db2.gz	WNRRSYOLVAVQBL-UHFFFAOYSA-N	-1	3	485.388	5.772	50	30		JKEAHM
COc1cc(Br)cc(/C=N/c2ccc(-c3nc4cc(C)ccc4s3)cc2)c1[O-]	ZINC000003656910	194353749	/nfs/dbraw/zinc/35/37/49/194353749.db2.gz	FBPAVTNFCJLTOY-WYMPLXKRSA-N	-1	3	453.361	6.499	50	30		JKEAHM
N#Cc1c(N)nc2sc(C(=O)c3ccc(Cl)c(Cl)c3)c(N)c2c1-c1ccc([O-])cc1	ZINC000020840832	195229980	/nfs/dbraw/zinc/22/99/80/195229980.db2.gz	FMWTVQAAPHBMCB-UHFFFAOYSA-N	-1	3	455.326	5.243	50	30		JKEAHM
Cc1cccc(C(C)C)c1NC(=O)C(=O)C(=C([O-])C=Cc1ccccc1)[C@@H]1OC(=O)c2ccccc21	ZINC000102299953	130118949	/nfs/dbraw/zinc/11/89/49/130118949.db2.gz	PFTXEIWGBUZSCG-XYFLVOAHSA-N	-1	3	481.548	5.436	50	30		JKEAHM
CCOc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102484335	130137989	/nfs/dbraw/zinc/13/79/89/130137989.db2.gz	WRWJWHWGBACINA-JBCNATCCSA-N	-1	3	476.579	5.691	50	30		JKEAHM
COc1cccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000102489414	130143194	/nfs/dbraw/zinc/14/31/94/130143194.db2.gz	KKZNKWXYHQVGOS-MOBKVPTQSA-N	-1	3	474.513	5.379	50	30		JKEAHM
COc1cccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000102489403	130143347	/nfs/dbraw/zinc/14/33/47/130143347.db2.gz	KKZNKWXYHQVGOS-HOGKFDNTSA-N	-1	3	474.513	5.379	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2F)cc1	ZINC000102493325	130147766	/nfs/dbraw/zinc/14/77/66/130147766.db2.gz	GNERAGMQUSLPQX-MOBKVPTQSA-N	-1	3	458.514	5.679	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC	ZINC000102501195	130155564	/nfs/dbraw/zinc/15/55/64/130155564.db2.gz	KCIBFHDPJBZZTB-JBCNATCCSA-N	-1	3	492.578	5.310	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1	ZINC000102502811	130156971	/nfs/dbraw/zinc/15/69/71/130156971.db2.gz	DRELZSJKGJNHQU-BUANBSPESA-N	-1	3	486.593	6.430	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(C(C)C)cc3)nc2c(C)c1	ZINC000102504880	130159048	/nfs/dbraw/zinc/15/90/48/130159048.db2.gz	IMMQFLMKCQUHAV-KQAPWQHSSA-N	-1	3	482.605	6.663	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(C(C)C)cc3)nc2c(C)c1	ZINC000102504880	130159051	/nfs/dbraw/zinc/15/90/51/130159051.db2.gz	IMMQFLMKCQUHAV-KQAPWQHSSA-N	-1	3	482.605	6.663	50	30		JKEAHM
COc1cccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1OC	ZINC000102523156	130175570	/nfs/dbraw/zinc/17/55/70/130175570.db2.gz	QUUZZYNVJZGGNN-HOGKFDNTSA-N	-1	3	486.549	5.248	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102533626	130187442	/nfs/dbraw/zinc/18/74/42/130187442.db2.gz	KPESIDQOXOEZMG-AGGMBTAESA-N	-1	3	471.494	5.139	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102535501	130190185	/nfs/dbraw/zinc/19/01/85/130190185.db2.gz	YVHVGGHNDAOMJH-MOBKVPTQSA-N	-1	3	476.598	5.692	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102535501	130190186	/nfs/dbraw/zinc/19/01/86/130190186.db2.gz	YVHVGGHNDAOMJH-MOBKVPTQSA-N	-1	3	476.598	5.692	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1	ZINC000102537942	130192851	/nfs/dbraw/zinc/19/28/51/130192851.db2.gz	MLWVGOZNWJYTHQ-IAMBOQNYSA-N	-1	3	485.521	5.448	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2)cc1	ZINC000102538288	130193103	/nfs/dbraw/zinc/19/31/03/130193103.db2.gz	QZQUKCXVEPYVRW-ZZIWUOEGSA-N	-1	3	484.577	5.938	50	30		JKEAHM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2)cc1	ZINC000102538288	130193106	/nfs/dbraw/zinc/19/31/06/130193106.db2.gz	QZQUKCXVEPYVRW-ZZIWUOEGSA-N	-1	3	484.577	5.938	50	30		JKEAHM
COc1ccccc1[C@H]1C(=C([O-])c2ccc(Cl)cc2)C(=O)C(=O)N1c1nc2ccc(C)cc2s1	ZINC000102540213	130195124	/nfs/dbraw/zinc/19/51/24/130195124.db2.gz	BQKAOFANONVUCD-MOBKVPTQSA-N	-1	3	490.968	5.893	50	30		JKEAHM
COc1ccccc1[C@@H]1C(=C([O-])c2ccccc2)C(=O)C(=O)N1c1nc2ccc(C)cc2s1	ZINC000102540326	130195561	/nfs/dbraw/zinc/19/55/61/130195561.db2.gz	SMEGWQWYTGSDNA-HOGKFDNTSA-N	-1	3	456.523	5.240	50	30		JKEAHM
COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1c1nc2ccc(C)cc2s1	ZINC000102540326	130195564	/nfs/dbraw/zinc/19/55/64/130195564.db2.gz	SMEGWQWYTGSDNA-HOGKFDNTSA-N	-1	3	456.523	5.240	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102542229	130198172	/nfs/dbraw/zinc/19/81/72/130198172.db2.gz	KHVWZZWBAKUMED-MOBKVPTQSA-N	-1	3	485.521	5.448	50	30		JKEAHM
Cc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102542867	130199041	/nfs/dbraw/zinc/19/90/41/130199041.db2.gz	YOVYNXDVINRMGR-BUANBSPESA-N	-1	3	472.541	5.987	50	30		JKEAHM
Cc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102542860	130199074	/nfs/dbraw/zinc/19/90/74/130199074.db2.gz	YOVYNXDVINRMGR-COUQNMRISA-N	-1	3	472.541	5.987	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1OC	ZINC000102566176	130211935	/nfs/dbraw/zinc/21/19/35/130211935.db2.gz	CAMHAXWTGUFIHJ-AYWGPLOBSA-N	-1	3	463.917	5.292	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)c(OC)c1	ZINC000102580838	130216377	/nfs/dbraw/zinc/21/63/77/130216377.db2.gz	NQQHDIHICALJCZ-ZHHPLPSFSA-N	-1	3	463.917	5.292	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(N(C)C)cc2)cc1	ZINC000102625337	130226649	/nfs/dbraw/zinc/22/66/49/130226649.db2.gz	IWDRHCLCASNBQV-ZHHPLPSFSA-N	-1	3	462.933	5.041	50	30		JKEAHM
COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(N(C)C)cc2)cc1	ZINC000102625337	130226651	/nfs/dbraw/zinc/22/66/51/130226651.db2.gz	IWDRHCLCASNBQV-ZHHPLPSFSA-N	-1	3	462.933	5.041	50	30		JKEAHM
O=C(C=Cc1ccccc1)C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102650262	130231519	/nfs/dbraw/zinc/23/15/19/130231519.db2.gz	VCYOSUKANVUELY-BDHQTMCFSA-N	-1	3	494.425	5.796	50	30		JKEAHM
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccc([N+](=O)[O-])cc2)C1=C([O-])C=Cc1ccccc1	ZINC000102650262	130231523	/nfs/dbraw/zinc/23/15/23/130231523.db2.gz	VCYOSUKANVUELY-BDHQTMCFSA-N	-1	3	494.425	5.796	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C)cc2)cc1C	ZINC000102715992	130262465	/nfs/dbraw/zinc/26/24/65/130262465.db2.gz	DEDLTKZBWBOSJO-KQAPWQHSSA-N	-1	3	498.604	6.165	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C)cc2)cc1C	ZINC000102715992	130262468	/nfs/dbraw/zinc/26/24/68/130262468.db2.gz	DEDLTKZBWBOSJO-KQAPWQHSSA-N	-1	3	498.604	6.165	50	30		JKEAHM
CCOc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1	ZINC000102720248	130266137	/nfs/dbraw/zinc/26/61/37/130266137.db2.gz	AGXJZRYJJXJERV-NXLSWJSLSA-N	-1	3	484.577	5.884	50	30		JKEAHM
COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C	ZINC000102725368	130269860	/nfs/dbraw/zinc/26/98/60/130269860.db2.gz	CJRCJZXHDUKGAW-YDJIHCHBSA-N	-1	3	490.581	5.162	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccs3)sc2c1	ZINC000102771538	130296774	/nfs/dbraw/zinc/29/67/74/130296774.db2.gz	WDXQDGJEOQSLJQ-PMLJWHLSSA-N	-1	3	488.590	5.616	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3)sc2c1	ZINC000102771394	130296796	/nfs/dbraw/zinc/29/67/96/130296796.db2.gz	VJDAGIGMGJIMDN-CIKQMSCWSA-N	-1	3	482.561	5.554	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3)sc2c1	ZINC000102771394	130296802	/nfs/dbraw/zinc/29/68/02/130296802.db2.gz	VJDAGIGMGJIMDN-CIKQMSCWSA-N	-1	3	482.561	5.554	50	30		JKEAHM
C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccccc3)ccc2O1	ZINC000102771412	130296900	/nfs/dbraw/zinc/29/69/00/130296900.db2.gz	UADQZKWQXMXLLK-HPASZNQBSA-N	-1	3	486.524	5.385	50	30		JKEAHM
CCOc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000102862551	130334548	/nfs/dbraw/zinc/33/45/48/130334548.db2.gz	YZMIKHZGSSTHRC-ZHHPLPSFSA-N	-1	3	486.549	5.330	50	30		JKEAHM
CCOc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102864622	130336524	/nfs/dbraw/zinc/33/65/24/130336524.db2.gz	KELDXXSYRJEJEG-ZHHPLPSFSA-N	-1	3	470.550	5.630	50	30		JKEAHM
COc1ccccc1[C@@H]1C(=C([O-])c2ccc(C)cc2)C(=O)C(=O)N1c1nc2c(cc(C)cc2C)s1	ZINC000102865836	130338874	/nfs/dbraw/zinc/33/88/74/130338874.db2.gz	NXXJRVZMCITUFM-ZZIWUOEGSA-N	-1	3	484.577	5.856	50	30		JKEAHM
COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)cc2)=C([O-])C(=O)N1c1nc2c(cc(C)cc2C)s1	ZINC000102865836	130338880	/nfs/dbraw/zinc/33/88/80/130338880.db2.gz	NXXJRVZMCITUFM-ZZIWUOEGSA-N	-1	3	484.577	5.856	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C(C)C)cc2)o1	ZINC000102872150	130343802	/nfs/dbraw/zinc/34/38/02/130343802.db2.gz	AGBHZMMEIICJSW-ZZIWUOEGSA-N	-1	3	486.593	6.564	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccccc3)sc2c1	ZINC000102872791	130344250	/nfs/dbraw/zinc/34/42/50/130344250.db2.gz	AHTFOOFCXBAYSR-MOBKVPTQSA-N	-1	3	456.523	5.240	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000102874111	130346209	/nfs/dbraw/zinc/34/62/09/130346209.db2.gz	XUVPYXOBVVRCTI-MOBKVPTQSA-N	-1	3	494.341	5.093	50	30		JKEAHM
COc1cccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1	ZINC000102874279	130346313	/nfs/dbraw/zinc/34/63/13/130346313.db2.gz	CQWQHFXTKCMOEI-MOBKVPTQSA-N	-1	3	474.513	5.379	50	30		JKEAHM
COc1cccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1	ZINC000102874281	130346386	/nfs/dbraw/zinc/34/63/86/130346386.db2.gz	CQWQHFXTKCMOEI-HOGKFDNTSA-N	-1	3	474.513	5.379	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000102874113	130346462	/nfs/dbraw/zinc/34/64/62/130346462.db2.gz	XUVPYXOBVVRCTI-HOGKFDNTSA-N	-1	3	494.341	5.093	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3cccc(Cl)c3)nc2c(C)c1	ZINC000102876665	130349390	/nfs/dbraw/zinc/34/93/90/130349390.db2.gz	FAZNBSHXVYFSMG-HFEWCJDKSA-N	-1	3	474.969	6.193	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102877354	130350256	/nfs/dbraw/zinc/35/02/56/130350256.db2.gz	VZTIJQBJXBNQKR-AGGMBTAESA-N	-1	3	471.494	5.139	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102877707	130351104	/nfs/dbraw/zinc/35/11/04/130351104.db2.gz	DVBKZBDKTUBJBV-HOGKFDNTSA-N	-1	3	490.606	6.116	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000102879836	130355156	/nfs/dbraw/zinc/35/51/56/130355156.db2.gz	ANHYTPWEHXYVCC-HOGKFDNTSA-N	-1	3	458.514	5.679	50	30		JKEAHM
Cc1ccc([C@@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nccs2)cc1	ZINC000102889694	130371167	/nfs/dbraw/zinc/37/11/67/130371167.db2.gz	FEGZHZRNYXXOLF-NPJIAGGLSA-N	-1	3	496.588	5.965	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccs3)sc2c1	ZINC000102890989	130372057	/nfs/dbraw/zinc/37/20/57/130372057.db2.gz	VAXXTFITBLZGBC-JBCNATCCSA-N	-1	3	490.562	5.064	50	30		JKEAHM
CCOc1ccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000102892449	130374778	/nfs/dbraw/zinc/37/47/78/130374778.db2.gz	ZNTKJGAJVYNHSF-VZZOHVMLSA-N	-1	3	485.536	5.285	50	30		JKEAHM
N#Cc1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccc(Cl)cc1)[C@H]3c1ccccc1)CCCC2	ZINC000102912239	130387548	/nfs/dbraw/zinc/38/75/48/130387548.db2.gz	HZEMEAFFKBPSFH-XPWALMASSA-N	-1	3	489.984	5.203	50	30		JKEAHM
COc1ccccc1[C@@H]1C(=C([O-])c2ccccc2)C(=O)C(=O)N1c1nc2c(cc(C)cc2C)s1	ZINC000102924751	130394368	/nfs/dbraw/zinc/39/43/68/130394368.db2.gz	RFVZXECDESZGRG-COUQNMRISA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1c1nc2c(cc(C)cc2C)s1	ZINC000102924751	130394372	/nfs/dbraw/zinc/39/43/72/130394372.db2.gz	RFVZXECDESZGRG-COUQNMRISA-N	-1	3	470.550	5.548	50	30		JKEAHM
CC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3sc4cc(Cl)ccc4c3Cl)sc2C1	ZINC000006075268	518978197	/nfs/dbraw/zinc/97/81/97/518978197.db2.gz	MTGDGUCYEVGMIP-NSHDSACASA-N	-1	3	463.455	7.545	50	30		JKEAHM
C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000009271829	519024382	/nfs/dbraw/zinc/02/43/82/519024382.db2.gz	GFTIWEGLMKUOJQ-VWLOTQADSA-N	-1	3	454.526	5.553	50	30		JKEAHM
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000009271829	519024387	/nfs/dbraw/zinc/02/43/87/519024387.db2.gz	GFTIWEGLMKUOJQ-VWLOTQADSA-N	-1	3	454.526	5.553	50	30		JKEAHM
C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000009274392	519024976	/nfs/dbraw/zinc/02/49/76/519024976.db2.gz	UMZQFVJGUZDNOM-VWLOTQADSA-N	-1	3	468.553	5.727	50	30		JKEAHM
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000009274392	519024981	/nfs/dbraw/zinc/02/49/81/519024981.db2.gz	UMZQFVJGUZDNOM-VWLOTQADSA-N	-1	3	468.553	5.727	50	30		JKEAHM
C=CCOc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009361136	519048285	/nfs/dbraw/zinc/04/82/85/519048285.db2.gz	SBILHMIFLFITKB-VWLOTQADSA-N	-1	3	496.588	6.261	50	30		JKEAHM
C=CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009361136	519048289	/nfs/dbraw/zinc/04/82/89/519048289.db2.gz	SBILHMIFLFITKB-VWLOTQADSA-N	-1	3	496.588	6.261	50	30		JKEAHM
C=CCOc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000009046351	519048839	/nfs/dbraw/zinc/04/88/39/519048839.db2.gz	CSCHHWJIYKFXSC-QFIPXVFZSA-N	-1	3	488.590	6.014	50	30		JKEAHM
C=CCSc1nnc2c(n1)O[C@H](c1cc(Br)c([O-])c(OCC)c1)Nc1ccccc1-2	ZINC000003640815	519093243	/nfs/dbraw/zinc/09/32/43/519093243.db2.gz	LEAADFKOZYQBMI-LJQANCHMSA-N	-1	3	487.379	5.187	50	30		JKEAHM
C=CCn1c(-c2ccc(Cl)cc2)cnc1SCc1nc(=O)c2c(C)c(C(C)=O)sc2[n-]1	ZINC000009129797	519148722	/nfs/dbraw/zinc/14/87/22/519148722.db2.gz	GSOOVDPCLURHSJ-UHFFFAOYSA-N	-1	3	471.007	5.491	50	30		JKEAHM
CC(=O)Nc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000009333765	519721374	/nfs/dbraw/zinc/72/13/74/519721374.db2.gz	ODDXIWMRMNBDGL-JOCHJYFZSA-N	-1	3	491.341	5.190	50	30		JKEAHM
CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nccs2)cc1	ZINC000009243488	519840333	/nfs/dbraw/zinc/84/03/33/519840333.db2.gz	AINARQNJEZXNIP-NYHFZMIOSA-N	-1	3	460.555	5.373	50	30		JKEAHM
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cc(Cl)c([O-])c(OCC)c1	ZINC000002771858	520208510	/nfs/dbraw/zinc/20/85/10/520208510.db2.gz	UVKAKEHHGFTVQA-AVRWGWEMSA-N	-1	3	496.003	5.759	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@@H]2c1cccc(OCc2ccccc2)c1	ZINC000012346893	520257419	/nfs/dbraw/zinc/25/74/19/520257419.db2.gz	IALMVNRRIQYVKZ-AREMUKBSSA-N	-1	3	491.591	5.945	50	30		JKEAHM
CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1C	ZINC000009993944	520330686	/nfs/dbraw/zinc/33/06/86/520330686.db2.gz	OGLDXTNZKWSHRY-AREMUKBSSA-N	-1	3	470.569	6.085	50	30		JKEAHM
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1C	ZINC000009993944	520330689	/nfs/dbraw/zinc/33/06/89/520330689.db2.gz	OGLDXTNZKWSHRY-AREMUKBSSA-N	-1	3	470.569	6.085	50	30		JKEAHM
CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1C	ZINC000009993946	520330765	/nfs/dbraw/zinc/33/07/65/520330765.db2.gz	OGLDXTNZKWSHRY-SANMLTNESA-N	-1	3	470.569	6.085	50	30		JKEAHM
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1C	ZINC000009993946	520330770	/nfs/dbraw/zinc/33/07/70/520330770.db2.gz	OGLDXTNZKWSHRY-SANMLTNESA-N	-1	3	470.569	6.085	50	30		JKEAHM
CCCCN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc3cc(Br)ccc3o1)O2	ZINC000020648849	520419095	/nfs/dbraw/zinc/41/90/95/520419095.db2.gz	YVXPTBWQZZVGOW-MTJSOVHGSA-N	-1	3	456.336	5.749	50	30		JKEAHM
CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4ccccc4c3)C(=O)C(=O)N2c2cc(C)on2)cc1	ZINC000009508054	520421748	/nfs/dbraw/zinc/42/17/48/520421748.db2.gz	ZKNUQLIDGGVELS-RUZDIDTESA-N	-1	3	468.509	5.708	50	30		JKEAHM
CCOc1cc(/C=C2\S/C(=N/c3ccccc3Cl)NC2=O)cc(Br)c1[O-]	ZINC000016688232	520631846	/nfs/dbraw/zinc/63/18/46/520631846.db2.gz	DKDPCISGJVDACW-DHDCSXOGSA-N	-1	3	453.745	5.098	50	30		JKEAHM
CCOc1cc(Br)cc(/C=N/c2cccc(-c3nc4cc(CC)ccc4o3)c2)c1[O-]	ZINC000004150505	520651858	/nfs/dbraw/zinc/65/18/58/520651858.db2.gz	HTYCGTKHECZHFI-VULFUBBASA-N	-1	3	465.347	6.675	50	30		JKEAHM
CCOc1cc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1[O-]	ZINC000016294128	520772952	/nfs/dbraw/zinc/77/29/52/520772952.db2.gz	IJBSBXKZEAGQRL-HSZRJFAPSA-N	-1	3	498.982	5.826	50	30		JKEAHM
CCOc1cc([C@@H]2c3c(ccc4ccccc43)N=C3c4ccccc4C(=O)C32)cc(Br)c1[O-]	ZINC000002191614	520783351	/nfs/dbraw/zinc/78/33/51/520783351.db2.gz	HODUNBDUWGPGSR-HSZRJFAPSA-N	-1	3	498.376	6.872	50	30		JKEAHM
CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000016729414	520862171	/nfs/dbraw/zinc/86/21/71/520862171.db2.gz	DWFJWITYNXJKEN-HSZRJFAPSA-N	-1	3	491.613	5.932	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000009019985	520882155	/nfs/dbraw/zinc/88/21/55/520882155.db2.gz	JICKGDHCUOWZQD-HSZRJFAPSA-N	-1	3	463.917	5.530	50	30		JKEAHM
CCN(CC)c1ccc(C=[NH+][N-]c2nnc(SCc3cccc(Br)c3)[n-]2)cc1	ZINC000020608380	520882966	/nfs/dbraw/zinc/88/29/66/520882966.db2.gz	NELHYFAHSYGORJ-LPYMAVHISA-N	-1	3	459.417	5.152	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000009275759	520883043	/nfs/dbraw/zinc/88/30/43/520883043.db2.gz	JOUCWRNQYHRBJE-RUZDIDTESA-N	-1	3	498.604	6.403	50	30		JKEAHM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000009275759	520883048	/nfs/dbraw/zinc/88/30/48/520883048.db2.gz	JOUCWRNQYHRBJE-RUZDIDTESA-N	-1	3	498.604	6.403	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccccc2)cc1	ZINC000009506907	520884144	/nfs/dbraw/zinc/88/41/44/520884144.db2.gz	GAIVEANIWYQEDR-DEOSSOPVSA-N	-1	3	484.577	6.040	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(O)c(OCC)c2)cc1	ZINC000009071899	520885064	/nfs/dbraw/zinc/88/50/64/520885064.db2.gz	PEZZKPNMALAYPE-QFIPXVFZSA-N	-1	3	494.569	5.046	50	30		JKEAHM
CCOc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000009272777	521034599	/nfs/dbraw/zinc/03/45/99/521034599.db2.gz	OSLPPHYKQNQFNP-QFIPXVFZSA-N	-1	3	478.342	5.631	50	30		JKEAHM
CCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009186452	521236122	/nfs/dbraw/zinc/23/61/22/521236122.db2.gz	DCLDJIAFRASCHS-RUZDIDTESA-N	-1	3	498.604	6.403	50	30		JKEAHM
CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009186452	521236127	/nfs/dbraw/zinc/23/61/27/521236127.db2.gz	DCLDJIAFRASCHS-RUZDIDTESA-N	-1	3	498.604	6.403	50	30		JKEAHM
CCOc1ccc([C@@H]2C(=C([O-])c3ccc4ccccc4c3)C(=O)C(=O)N2c2cc(C)on2)cc1OC	ZINC000009244254	521237742	/nfs/dbraw/zinc/23/77/42/521237742.db2.gz	MJKREVRXYIFGTH-RUZDIDTESA-N	-1	3	484.508	5.326	50	30		JKEAHM
CCOc1ccc([C@@H]2C(=C([O-])c3ccc4ccccc4c3)C(=O)C(=O)N2c2cc(C)on2)cc1	ZINC000009361153	521239443	/nfs/dbraw/zinc/23/94/43/521239443.db2.gz	PLALODIVXOOUTN-XMMPIXPASA-N	-1	3	454.482	5.318	50	30		JKEAHM
CCOc1ccc([C@@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1	ZINC000012349596	521248671	/nfs/dbraw/zinc/24/86/71/521248671.db2.gz	MYZMWROOWOESPA-UUOWRZLLSA-N	-1	3	483.593	5.584	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccccc3)sc2c1	ZINC000009046519	521299801	/nfs/dbraw/zinc/29/98/01/521299801.db2.gz	ANCZZQIOCWRCHI-QFIPXVFZSA-N	-1	3	456.523	5.478	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccccc3)sc2c1	ZINC000009175745	521300551	/nfs/dbraw/zinc/30/05/51/521300551.db2.gz	ANCZZQIOCWRCHI-JOCHJYFZSA-N	-1	3	456.523	5.478	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccccc3)sc2c1	ZINC000009333868	521300985	/nfs/dbraw/zinc/30/09/85/521300985.db2.gz	DNGIZLYUWQXTPM-HSZRJFAPSA-N	-1	3	470.550	5.786	50	30		JKEAHM
CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)nc1C	ZINC000009275473	521611858	/nfs/dbraw/zinc/61/18/58/521611858.db2.gz	XDCSHQIUBBDWNZ-NRFANRHFSA-N	-1	3	490.581	5.535	50	30		JKEAHM
CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)nc1C	ZINC000009046374	521612156	/nfs/dbraw/zinc/61/21/56/521612156.db2.gz	SVOWXUNCAXXSBN-HXUWFJFHSA-N	-1	3	476.554	5.028	50	30		JKEAHM
COc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c1[O-]	ZINC000012418320	522026932	/nfs/dbraw/zinc/02/69/32/522026932.db2.gz	AJBXGWWEHSIKGA-MZJWZYIUSA-N	-1	3	473.326	6.875	50	30		JKEAHM
COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009073687	522164436	/nfs/dbraw/zinc/16/44/36/522164436.db2.gz	WLKQWXQMHPCOMD-HSZRJFAPSA-N	-1	3	498.560	5.483	50	30		JKEAHM
CN(C)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000009359483	522217187	/nfs/dbraw/zinc/21/71/87/522217187.db2.gz	UKUUCHZTBZNMEP-QFIPXVFZSA-N	-1	3	477.358	5.298	50	30		JKEAHM
CN(C)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000009359483	522217195	/nfs/dbraw/zinc/21/71/95/522217195.db2.gz	UKUUCHZTBZNMEP-QFIPXVFZSA-N	-1	3	477.358	5.298	50	30		JKEAHM
COc1cc([C@H]2Nc3ccccc3C(=O)N2/N=C(\C)c2ccccc2[O-])ccc1OCc1ccccc1	ZINC000016136719	522965136	/nfs/dbraw/zinc/96/51/36/522965136.db2.gz	XFKUSFBRRBBNLC-FUGGPRTCSA-N	-1	3	493.563	5.971	50	30		JKEAHM
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCCC(=O)N[O-]	ZINC000045356559	523070725	/nfs/dbraw/zinc/07/07/25/523070725.db2.gz	RQYVKBOWLRVISJ-UHFFFAOYSA-N	-1	3	462.909	5.009	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(OC)c2)cc1	ZINC000009271461	523568385	/nfs/dbraw/zinc/56/83/85/523568385.db2.gz	YSTAJFLCRMMFCS-QHCPKHFHSA-N	-1	3	486.549	5.405	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000009008710	523568512	/nfs/dbraw/zinc/56/85/12/523568512.db2.gz	UXZLKTHCUDCEAH-JOCHJYFZSA-N	-1	3	474.513	5.535	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000009301936	523569270	/nfs/dbraw/zinc/56/92/70/523569270.db2.gz	JKYGFABJCITVGY-QFIPXVFZSA-N	-1	3	462.571	5.675	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000009301936	523569278	/nfs/dbraw/zinc/56/92/78/523569278.db2.gz	JKYGFABJCITVGY-QFIPXVFZSA-N	-1	3	462.571	5.675	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccco2)cc1C	ZINC000009477314	523569433	/nfs/dbraw/zinc/56/94/33/523569433.db2.gz	AFIKKWCIRVGYIW-NRFANRHFSA-N	-1	3	460.511	5.298	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2)cc1	ZINC000009186463	523569753	/nfs/dbraw/zinc/56/97/53/523569753.db2.gz	ADWSCRBXTZYUJF-QFIPXVFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2)cc1	ZINC000009186463	523569763	/nfs/dbraw/zinc/56/97/63/523569763.db2.gz	ADWSCRBXTZYUJF-QFIPXVFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000009066010	523569805	/nfs/dbraw/zinc/56/98/05/523569805.db2.gz	NKZKNXDHACQPRX-QFIPXVFZSA-N	-1	3	490.968	6.050	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2F)cc1C	ZINC000009350318	523570466	/nfs/dbraw/zinc/57/04/66/523570466.db2.gz	PWPPMHAWZLYWEX-HSZRJFAPSA-N	-1	3	488.540	5.844	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000009185639	524059977	/nfs/dbraw/zinc/05/99/77/524059977.db2.gz	UCGLMKZJIDEXDL-JOCHJYFZSA-N	-1	3	485.521	5.550	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000009185641	524060281	/nfs/dbraw/zinc/06/02/81/524060281.db2.gz	UCGLMKZJIDEXDL-QFIPXVFZSA-N	-1	3	485.521	5.550	50	30		JKEAHM
COc1cccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)c1	ZINC000009302081	524171069	/nfs/dbraw/zinc/17/10/69/524171069.db2.gz	XVHIYMPLOIENNY-QFIPXVFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccccc3s2)c1	ZINC000009302081	524171073	/nfs/dbraw/zinc/17/10/73/524171073.db2.gz	XVHIYMPLOIENNY-QFIPXVFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
COc1ccc(N2C(=O)C([O-])=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000009086311	524384940	/nfs/dbraw/zinc/38/49/40/524384940.db2.gz	DLCPVUZKFDNGNY-XTXDOFFSSA-N	-1	3	490.353	5.640	50	30		JKEAHM
COc1ccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000009086311	524384966	/nfs/dbraw/zinc/38/49/66/524384966.db2.gz	DLCPVUZKFDNGNY-XTXDOFFSSA-N	-1	3	490.353	5.640	50	30		JKEAHM
COc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000009015102	524385865	/nfs/dbraw/zinc/38/58/65/524385865.db2.gz	JDFISVXSNMRDCM-HSZRJFAPSA-N	-1	3	479.916	5.149	50	30		JKEAHM
COc1ccc(Nc2nc(N=NCc3ccc(C)cc3)nc([N-]c3ccc([N+](=O)[O-])cc3)n2)cc1	ZINC000008872713	524716864	/nfs/dbraw/zinc/71/68/64/524716864.db2.gz	YZHCIPKPFSETQF-MFKUBSTISA-N	-1	3	470.493	5.030	50	30		JKEAHM
COc1ccccc1[C@H]1C(=C([O-])c2ccc(C)cc2)C(=O)C(=O)N1c1nc2ccccc2s1	ZINC000009358065	524803688	/nfs/dbraw/zinc/80/36/88/524803688.db2.gz	WOUFPHIVRPFKPW-QFIPXVFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
COc1ccccc1[C@H]1C(C(=O)c2ccc(C)cc2)=C([O-])C(=O)N1c1nc2ccccc2s1	ZINC000009358065	524803696	/nfs/dbraw/zinc/80/36/96/524803696.db2.gz	WOUFPHIVRPFKPW-QFIPXVFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
COc1ccccc1[C@H]1C(=C([O-])c2ccccc2)C(=O)C(=O)N1c1nc2ccc(C)cc2s1	ZINC000009302092	524805653	/nfs/dbraw/zinc/80/56/53/524805653.db2.gz	LSNFGFUFLGZJCG-QFIPXVFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1c1nc2ccc(C)cc2s1	ZINC000009302092	524805661	/nfs/dbraw/zinc/80/56/61/524805661.db2.gz	LSNFGFUFLGZJCG-QFIPXVFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
COc1ccccc1[C@H]1C(=C([O-])c2cccs2)C(=O)C(=O)N1c1nc2ccc(C)cc2s1	ZINC000009185118	524805874	/nfs/dbraw/zinc/80/58/74/524805874.db2.gz	RXAKGIJFIXLRAY-FQEVSTJZSA-N	-1	3	462.552	5.458	50	30		JKEAHM
COc1ccc(OC)c([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000009046510	524891277	/nfs/dbraw/zinc/89/12/77/524891277.db2.gz	CKPXAMREKCCELD-HSZRJFAPSA-N	-1	3	486.549	5.405	50	30		JKEAHM
Cc1cc(I)c([O-])c(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c1	ZINC000003060376	525011037	/nfs/dbraw/zinc/01/10/37/525011037.db2.gz	YDUXIFJAGWQCNG-FSJBWODESA-N	-1	3	454.267	5.864	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(NC(C)=O)cc2)cc1	ZINC000009331206	525222082	/nfs/dbraw/zinc/22/20/82/525222082.db2.gz	AACCBDWOQWHQLN-HSZRJFAPSA-N	-1	3	476.916	5.090	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC	ZINC000009270728	525224154	/nfs/dbraw/zinc/22/41/54/525224154.db2.gz	QXJVELDPJUWENR-HSZRJFAPSA-N	-1	3	486.549	5.405	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cccc(Br)c2)c(OC)c1	ZINC000009015050	525225560	/nfs/dbraw/zinc/22/55/60/525225560.db2.gz	DRBIKDIZYLAQAV-JOCHJYFZSA-N	-1	3	494.341	5.249	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009042340	525225648	/nfs/dbraw/zinc/22/56/48/525225648.db2.gz	UZQNLSRBZYNHID-OAQYLSRUSA-N	-1	3	476.579	5.766	50	30		JKEAHM
Cc1cc([O-])c(CN2CCCCC2)c2c1C(=O)/C(=C/c1cc3cc(Br)ccc3o1)O2	ZINC000020647305	525314015	/nfs/dbraw/zinc/31/40/15/525314015.db2.gz	DIGOJYZLPPANQL-MTJSOVHGSA-N	-1	3	468.347	5.811	50	30		JKEAHM
Cc1cc([O-])c(CN2CCC[C@H](C)C2)c2c1C(=O)/C(=C/c1cc3cc(Br)ccc3o1)O2	ZINC000020650657	525315286	/nfs/dbraw/zinc/31/52/86/525315286.db2.gz	OBTKYTYNXPLKMO-YTWQSXOVSA-N	-1	3	482.374	6.057	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])C=Cc3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)cc1OC	ZINC000009015434	525382021	/nfs/dbraw/zinc/38/20/21/525382021.db2.gz	GMIGTVLVWSCDQC-FIUWIIBXSA-N	-1	3	455.510	5.195	50	30	biogenic	JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)cc1	ZINC000009272095	525386734	/nfs/dbraw/zinc/38/67/34/525386734.db2.gz	NGNWWKNVNQPZSH-QFIPXVFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccccc3s2)cc1	ZINC000009272095	525386739	/nfs/dbraw/zinc/38/67/39/525386739.db2.gz	NGNWWKNVNQPZSH-QFIPXVFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(C)cc2)cc1OC	ZINC000009370783	525387406	/nfs/dbraw/zinc/38/74/06/525387406.db2.gz	DFZLQTUEBVNPIV-QHCPKHFHSA-N	-1	3	463.917	5.449	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)c(OC)c1	ZINC000009380045	525387577	/nfs/dbraw/zinc/38/75/77/525387577.db2.gz	YCLPZLXVKZNRPI-QHCPKHFHSA-N	-1	3	486.549	5.405	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3)sc2c1	ZINC000009349733	525668864	/nfs/dbraw/zinc/66/88/64/525668864.db2.gz	HQDFAVYWOPXCIP-MYYSRTQBSA-N	-1	3	498.560	5.411	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000009271528	525669753	/nfs/dbraw/zinc/66/97/53/525669753.db2.gz	JTMXXNNZMFDGAQ-XMMPIXPASA-N	-1	3	498.604	6.385	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000009271528	525669754	/nfs/dbraw/zinc/66/97/54/525669754.db2.gz	JTMXXNNZMFDGAQ-XMMPIXPASA-N	-1	3	498.604	6.385	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])C=Cc4ccccc4)[C@H]3c3cccc(OC)c3)sc2c1	ZINC000016736928	525669897	/nfs/dbraw/zinc/66/98/97/525669897.db2.gz	LMGWPAOMKJKMSX-IGQYLQMFSA-N	-1	3	498.560	5.496	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cc5ccccc5o4)[C@H]3c3ccc(C)o3)sc2c1	ZINC000009557333	525671218	/nfs/dbraw/zinc/67/12/18/525671218.db2.gz	SWIBAYPPNIVDBA-JOCHJYFZSA-N	-1	3	486.505	5.735	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3)sc2c1	ZINC000009349735	525671373	/nfs/dbraw/zinc/67/13/73/525671373.db2.gz	HQDFAVYWOPXCIP-OYLFLEFRSA-N	-1	3	498.560	5.411	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(F)cc3)nc2c(C)c1	ZINC000009333758	525698060	/nfs/dbraw/zinc/69/80/60/525698060.db2.gz	LEXXHTNOLZXXCX-JOCHJYFZSA-N	-1	3	458.514	5.835	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccc(C(C)C)cc3)nc2c(C)c1	ZINC000009271389	525698694	/nfs/dbraw/zinc/69/86/94/525698694.db2.gz	IXJADCHFCOMILK-HSZRJFAPSA-N	-1	3	472.566	6.412	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(Cl)cc3)nc2c(C)c1	ZINC000009044068	525699157	/nfs/dbraw/zinc/69/91/57/525699157.db2.gz	XMOYKXRISSLFKP-QFIPXVFZSA-N	-1	3	474.969	6.349	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3)nc2c(C)c1	ZINC000009358411	525699316	/nfs/dbraw/zinc/69/93/16/525699316.db2.gz	USPKPWHNXGSUBC-GKVSMKOHSA-N	-1	3	496.588	6.019	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3)nc2c(C)c1	ZINC000009358411	525699328	/nfs/dbraw/zinc/69/93/28/525699328.db2.gz	USPKPWHNXGSUBC-GKVSMKOHSA-N	-1	3	496.588	6.019	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccnc3)nc2c(C)c1	ZINC000009413372	525699809	/nfs/dbraw/zinc/69/98/09/525699809.db2.gz	GSMQGGHHKSHJQW-GYCJOSAFSA-N	-1	3	497.576	5.414	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3)nc2c(C)c1	ZINC000009358407	525699835	/nfs/dbraw/zinc/69/98/35/525699835.db2.gz	USPKPWHNXGSUBC-SSOJOUAXSA-N	-1	3	496.588	6.019	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3)nc2c(C)c1	ZINC000009358407	525699845	/nfs/dbraw/zinc/69/98/45/525699845.db2.gz	USPKPWHNXGSUBC-SSOJOUAXSA-N	-1	3	496.588	6.019	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccco2)c1	ZINC000009413264	525784191	/nfs/dbraw/zinc/78/41/91/525784191.db2.gz	OXAQAWPZVJUDKO-NRFANRHFSA-N	-1	3	460.511	5.298	50	30		JKEAHM
Cc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000009464839	525789397	/nfs/dbraw/zinc/78/93/97/525789397.db2.gz	RQEXLGPJJNYXEQ-XMMPIXPASA-N	-1	3	498.560	5.467	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000009275618	526030249	/nfs/dbraw/zinc/03/02/49/526030249.db2.gz	ITIDYRQJEGGJPD-DEOSSOPVSA-N	-1	3	486.568	6.650	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009272338	526030932	/nfs/dbraw/zinc/03/09/32/526030932.db2.gz	VJYPIWNIKGLDHU-NRFANRHFSA-N	-1	3	471.494	5.296	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000009275620	526031429	/nfs/dbraw/zinc/03/14/29/526031429.db2.gz	ITIDYRQJEGGJPD-XMMPIXPASA-N	-1	3	486.568	6.650	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000009379980	526031993	/nfs/dbraw/zinc/03/19/93/526031993.db2.gz	CPPUEPINZYKSJJ-NRFANRHFSA-N	-1	3	471.494	5.296	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccccc3)sc2c1	ZINC000009043406	526251358	/nfs/dbraw/zinc/25/13/58/526251358.db2.gz	UYSDIKODMBVXIQ-OAQYLSRUSA-N	-1	3	460.942	6.041	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3)sc2c1	ZINC000009374335	526251840	/nfs/dbraw/zinc/25/18/40/526251840.db2.gz	KDLVOPOVKJMMPZ-FYSMJZIKSA-N	-1	3	482.561	5.711	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3)sc2c1	ZINC000009374335	526251845	/nfs/dbraw/zinc/25/18/45/526251845.db2.gz	KDLVOPOVKJMMPZ-FYSMJZIKSA-N	-1	3	482.561	5.711	50	30		JKEAHM
C[C@H]1CCCCN1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc3cc(Br)ccc3o1)O2	ZINC000020649637	526251991	/nfs/dbraw/zinc/25/19/91/526251991.db2.gz	FCGPQPWXSFEVRQ-ZDXHCBJDSA-N	-1	3	468.347	5.892	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000009043655	526252490	/nfs/dbraw/zinc/25/24/90/526252490.db2.gz	QPOZOJGVLWTNFX-QFIPXVFZSA-N	-1	3	472.566	6.278	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000009241690	526252575	/nfs/dbraw/zinc/25/25/75/526252575.db2.gz	LZKQWLNHTKSUFV-QFIPXVFZSA-N	-1	3	458.539	6.104	50	30		JKEAHM
O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	ZINC000009271955	526269416	/nfs/dbraw/zinc/26/94/16/526269416.db2.gz	JEKHHZNQLAGHLZ-FQEVSTJZSA-N	-1	3	473.743	5.820	50	30		JKEAHM
[O-]c1ccc(Br)cc1/C=N/c1cccc(/N=C/c2cc(Br)ccc2O)c1	ZINC000015772480	526341709	/nfs/dbraw/zinc/34/17/09/526341709.db2.gz	UIZABCRBYMACRI-ASIDMNOUSA-N	-1	3	474.152	6.124	50	30		JKEAHM
[O-]c1ccc(Br)cc1/C=N/c1ccc2oc(-c3ccc(Br)cc3)nc2c1	ZINC000003060163	526342391	/nfs/dbraw/zinc/34/23/91/526342391.db2.gz	SLSDPINRKUPADT-FOKLQQMPSA-N	-1	3	472.136	6.476	50	30		JKEAHM
[O-]c1ccc(I)cc1/C=N/c1ccc(-c2nc3cc(Cl)ccc3o2)cc1	ZINC000015134366	526351915	/nfs/dbraw/zinc/35/19/15/526351915.db2.gz	NJHVISXZMRZQLD-FOKLQQMPSA-N	-1	3	474.685	6.209	50	30		JKEAHM
O=C(CSc1nc2ccc(/N=C/c3c([O-])ccc4ccccc43)cc2s1)NC1CCCCC1	ZINC000003664771	527059393	/nfs/dbraw/zinc/05/93/93/527059393.db2.gz	YPZCCWXBIVAVDK-JFLMPSFJSA-N	-1	3	475.639	6.447	50	30		JKEAHM
O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(OCc2ccccc2)cc1	ZINC000012347897	527455720	/nfs/dbraw/zinc/45/57/20/527455720.db2.gz	FXEXPFFDOIFJNZ-RUZDIDTESA-N	-1	3	463.537	5.309	50	30		JKEAHM
O=C(C=Cc1ccccc1)C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1	ZINC000009461027	527630655	/nfs/dbraw/zinc/63/06/55/527630655.db2.gz	CHRGKAPEURNTEW-PZVJUEDKSA-N	-1	3	467.418	6.027	50	30		JKEAHM
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)C1=C([O-])C=Cc1ccccc1	ZINC000009461027	527630661	/nfs/dbraw/zinc/63/06/61/527630661.db2.gz	CHRGKAPEURNTEW-PZVJUEDKSA-N	-1	3	467.418	6.027	50	30		JKEAHM
O=C(C=Cc1ccccc1)C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1F	ZINC000009357923	527631395	/nfs/dbraw/zinc/63/13/95/527631395.db2.gz	XTRWDAGZJMWUSW-YAOQVBECSA-N	-1	3	467.418	6.027	50	30		JKEAHM
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccccc2F)C1=C([O-])C=Cc1ccccc1	ZINC000009357923	527631403	/nfs/dbraw/zinc/63/14/03/527631403.db2.gz	XTRWDAGZJMWUSW-YAOQVBECSA-N	-1	3	467.418	6.027	50	30		JKEAHM
CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2Cl)cc1	ZINC000102368904	534967746	/nfs/dbraw/zinc/96/77/46/534967746.db2.gz	STPNJRSIZRAZIB-ZHHPLPSFSA-N	-1	3	497.378	5.798	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(C)cc3)sc2c1	ZINC000102528512	535443242	/nfs/dbraw/zinc/44/32/42/535443242.db2.gz	SKZSJRNPKMUXQU-JBCNATCCSA-N	-1	3	476.579	5.691	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccc(C)cc3)sc2c1	ZINC000102876295	535443287	/nfs/dbraw/zinc/44/32/87/535443287.db2.gz	HTCZOPKWYZMJKR-NXLSWJSLSA-N	-1	3	484.577	5.938	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccc(F)cc3)sc2c1	ZINC000102706775	535827973	/nfs/dbraw/zinc/82/79/73/535827973.db2.gz	NXEPMSPUUNCPCC-AYWGPLOBSA-N	-1	3	472.541	5.933	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102701177	535828945	/nfs/dbraw/zinc/82/89/45/535828945.db2.gz	NBWHFKJFNZAVJF-NXLSWJSLSA-N	-1	3	486.593	6.510	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccccc3)sc2c1	ZINC000102719569	535829284	/nfs/dbraw/zinc/82/92/84/535829284.db2.gz	BJIJTEDDNBIVRB-MOBKVPTQSA-N	-1	3	458.514	5.624	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000102711379	535829523	/nfs/dbraw/zinc/82/95/23/535829523.db2.gz	LNXPQOUNOGRGSX-HOGKFDNTSA-N	-1	3	485.521	5.393	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccc(C)cc3)sc2c1	ZINC000102700638	535829827	/nfs/dbraw/zinc/82/98/27/535829827.db2.gz	KNJHTAUEFIECJX-ZHHPLPSFSA-N	-1	3	488.996	6.447	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000102715225	535830301	/nfs/dbraw/zinc/83/03/01/535830301.db2.gz	JXFDJLNHAYPZDI-NPJIAGGLSA-N	-1	3	496.632	6.783	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000102715225	535830304	/nfs/dbraw/zinc/83/03/04/535830304.db2.gz	JXFDJLNHAYPZDI-NPJIAGGLSA-N	-1	3	496.632	6.783	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102713899	535830573	/nfs/dbraw/zinc/83/05/73/535830573.db2.gz	YGSUUHOIPAJADG-IUKMQXEJSA-N	-1	3	482.605	6.608	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102713899	535830580	/nfs/dbraw/zinc/83/05/80/535830580.db2.gz	YGSUUHOIPAJADG-IUKMQXEJSA-N	-1	3	482.605	6.608	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(C)cc3)sc2c1	ZINC000102714602	535830595	/nfs/dbraw/zinc/83/05/95/535830595.db2.gz	QVLOWTQQAGZYDG-ZHHPLPSFSA-N	-1	3	472.541	5.933	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000102536194	536568693	/nfs/dbraw/zinc/56/86/93/536568693.db2.gz	OCOZEASTYQDIPQ-ZHHPLPSFSA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000102536194	536568698	/nfs/dbraw/zinc/56/86/98/536568698.db2.gz	OCOZEASTYQDIPQ-ZHHPLPSFSA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000102536204	536568948	/nfs/dbraw/zinc/56/89/48/536568948.db2.gz	OCOZEASTYQDIPQ-AYWGPLOBSA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000102536204	536568954	/nfs/dbraw/zinc/56/89/54/536568954.db2.gz	OCOZEASTYQDIPQ-AYWGPLOBSA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C)cc2)cc1C	ZINC000102706817	536569034	/nfs/dbraw/zinc/56/90/34/536569034.db2.gz	WCBMOHLGLCKVQG-NXLSWJSLSA-N	-1	3	484.577	5.856	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C)cc2)cc1C	ZINC000102706817	536569041	/nfs/dbraw/zinc/56/90/41/536569041.db2.gz	WCBMOHLGLCKVQG-NXLSWJSLSA-N	-1	3	484.577	5.856	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2F)cc1	ZINC000102535125	536570185	/nfs/dbraw/zinc/57/01/85/536570185.db2.gz	OVJQPPWGTMXNFL-MOBKVPTQSA-N	-1	3	474.513	5.379	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C)cc2)c1	ZINC000102725614	537073633	/nfs/dbraw/zinc/07/36/33/537073633.db2.gz	GEZVQAUBYYYLCQ-ZZIWUOEGSA-N	-1	3	484.577	5.856	50	30		JKEAHM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C)cc2)c1	ZINC000102725614	537073638	/nfs/dbraw/zinc/07/36/38/537073638.db2.gz	GEZVQAUBYYYLCQ-ZZIWUOEGSA-N	-1	3	484.577	5.856	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccco2)c1	ZINC000102897020	537073962	/nfs/dbraw/zinc/07/39/62/537073962.db2.gz	RMDRLPAJXHNIQG-PGVNHDJNSA-N	-1	3	460.511	5.141	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2OC)c1	ZINC000102718859	537074037	/nfs/dbraw/zinc/07/40/37/537074037.db2.gz	XKAQXWHYIJBKKF-AYWGPLOBSA-N	-1	3	486.549	5.248	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccco2)c1	ZINC000102897018	537074146	/nfs/dbraw/zinc/07/41/46/537074146.db2.gz	RMDRLPAJXHNIQG-OBVHCKHUSA-N	-1	3	460.511	5.141	50	30		JKEAHM
COc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(OC)c(O)c4)cc3)cc2)cc1[O-]	ZINC000000671801	553745917	/nfs/dbraw/zinc/74/59/17/553745917.db2.gz	BGEFBXLLDHQJDB-YAGSLNJISA-N	-1	3	468.509	6.409	50	30		JKEAHM
CCN(CC)c1ccc(/C=N/c2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)cc2)c(O)c1	ZINC000000673820	553746972	/nfs/dbraw/zinc/74/69/72/553746972.db2.gz	LDTGTWHJEUMMDZ-WPWMEQJKSA-N	-1	3	465.619	5.715	50	30		JKEAHM
CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ccc(COc4ccc(F)cc4)o3)sc2C1	ZINC000000695532	553760229	/nfs/dbraw/zinc/76/02/29/553760229.db2.gz	NCLYXTKBNNQXPH-OAHLLOKOSA-N	-1	3	452.551	6.334	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@@H]3c3ccc(O)cc3)nc2c(C)c1	ZINC000000703128	553762374	/nfs/dbraw/zinc/76/23/74/553762374.db2.gz	OHVMOUIZIBFASN-DEOSSOPVSA-N	-1	3	496.544	6.148	50	30		JKEAHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2cccc(O)c2)cc1Br	ZINC000000719242	553770827	/nfs/dbraw/zinc/77/08/27/553770827.db2.gz	VRZOPKITVYWQQW-OAQYLSRUSA-N	-1	3	464.315	5.246	50	30		JKEAHM
COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Br)c1[O-]	ZINC000000812940	553785332	/nfs/dbraw/zinc/78/53/32/553785332.db2.gz	BNABLINVLUQUQD-LMKMVOKYSA-N	-1	3	491.385	6.143	50	30		JKEAHM
COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(Br)c1[O-]	ZINC000000828103	553789515	/nfs/dbraw/zinc/78/95/15/553789515.db2.gz	DWMSOXVDKIPBFC-UHFFFAOYSA-N	-1	3	475.379	5.564	50	30		JKEAHM
COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(Cl)c1[O-]	ZINC000001077149	553904599	/nfs/dbraw/zinc/90/45/99/553904599.db2.gz	PUFAQFAATXWXFI-ZAMGYDSWSA-N	-1	3	452.963	6.095	50	30		JKEAHM
COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccc(C(C)C)cc2)nc1C	ZINC000001152945	553917506	/nfs/dbraw/zinc/91/75/06/553917506.db2.gz	QBYNBOMGDUPGQB-OAQYLSRUSA-N	-1	3	490.581	5.453	50	30		JKEAHM
COc1cccc([C@@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2ccccc2)c1	ZINC000001208941	553933028	/nfs/dbraw/zinc/93/30/28/553933028.db2.gz	KRVFJFOKMRYXDO-OAQYLSRUSA-N	-1	3	464.315	5.241	50	30		JKEAHM
CC1(C)SC(=S)N(/N=C/c2c(O)ccc3ccccc32)[C@@H]1N([O-])C(=O)NC1CCCCC1	ZINC000001243769	553937506	/nfs/dbraw/zinc/93/75/06/553937506.db2.gz	JHBPYCYZHFTARA-LSCMLXDISA-N	-1	3	472.636	5.051	50	30		JKEAHM
COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc(Cl)c1[O-]	ZINC000001434719	553971456	/nfs/dbraw/zinc/97/14/56/553971456.db2.gz	QEZNAQIFPZSAKI-WGDIFIGCSA-N	-1	3	460.961	6.342	50	30		JKEAHM
CC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000001436815	553971776	/nfs/dbraw/zinc/97/17/76/553971776.db2.gz	BEYZIXQPFYPNAH-QFIPXVFZSA-N	-1	3	476.326	5.435	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(O)c2)c1	ZINC000001450558	553973563	/nfs/dbraw/zinc/97/35/63/553973563.db2.gz	MGVJPVJZEXWUMN-QHCPKHFHSA-N	-1	3	486.549	5.410	50	30		JKEAHM
COc1cc(Br)cc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)c1[O-]	ZINC000001881330	554000382	/nfs/dbraw/zinc/00/03/82/554000382.db2.gz	VLAORLSIPCSAQO-WYMPLXKRSA-N	-1	3	453.361	6.499	50	30		JKEAHM
[O-]c1ccc(Cc2ccccc2)cc1/C=N/c1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1	ZINC000001898714	554001920	/nfs/dbraw/zinc/00/19/20/554001920.db2.gz	PKKGMLAPPVXWOM-HNSNBQBZSA-N	-1	3	488.974	8.348	50	30		JKEAHM
COc1ccc(Br)c(/C=N/c2ccc3oc(-c4ccccc4Cl)nc3c2)c1[O-]	ZINC000001952110	554006601	/nfs/dbraw/zinc/00/66/01/554006601.db2.gz	MDJHGUXUTFLQOY-BHGWPJFGSA-N	-1	3	457.711	6.376	50	30		JKEAHM
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Cl)c([O-])c(OC)c1	ZINC000002055395	554013486	/nfs/dbraw/zinc/01/34/86/554013486.db2.gz	VQKXXLNUNPXICX-NRFANRHFSA-N	-1	3	461.986	5.392	50	30	biogenic,in-vitro	JKEAHM
CCOc1cc(Br)cc(/C=N/c2ccc(NC(=O)c3cccc(C)c3)cc2)c1[O-]	ZINC000002067802	554020816	/nfs/dbraw/zinc/02/08/16/554020816.db2.gz	YAPZGEPYISVODE-AFUMVMLFSA-N	-1	3	453.336	5.865	50	30		JKEAHM
N#Cc1c([N-]C(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)(F)F)sc2c1CCCCC2	ZINC000002082129	554028157	/nfs/dbraw/zinc/02/81/57/554028157.db2.gz	XNGNFHZPJIRGLM-UHFFFAOYSA-N	-1	3	481.503	5.869	50	30		JKEAHM
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(Br)c([O-])c(OCC)c1	ZINC000002082365	554028189	/nfs/dbraw/zinc/02/81/89/554028189.db2.gz	BRTMLCJREDQZCP-NRFANRHFSA-N	-1	3	492.410	5.255	50	30		JKEAHM
CCC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3c(C)onc3-c3ccccc3Cl)sc2C1	ZINC000002082932	554028465	/nfs/dbraw/zinc/02/84/65/554028465.db2.gz	WKMHDJPWBULJDL-HNNXBMFYSA-N	-1	3	468.022	7.030	50	30		JKEAHM
CCOc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc(Cl)c1[O-]	ZINC000002085780	554031378	/nfs/dbraw/zinc/03/13/78/554031378.db2.gz	SYAZJZLVXLBFGS-YPRVEJFFSA-N	-1	3	479.001	6.870	50	30		JKEAHM
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[N-]c1sc(C)c(-c2ccccc2)c1C#N	ZINC000002115205	554053143	/nfs/dbraw/zinc/05/31/43/554053143.db2.gz	LSCLUNSTPBFHDF-UHFFFAOYSA-N	-1	3	451.910	6.603	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)ccc1[O-]	ZINC000002123944	554057414	/nfs/dbraw/zinc/05/74/14/554057414.db2.gz	OVLCWNXRSDACHM-UHFFFAOYSA-N	-1	3	490.043	6.931	50	30		JKEAHM
CCCCNC(=O)CSc1nc2ccc(/N=C/c3cc(Br)ccc3[O-])cc2s1	ZINC000002188050	554084256	/nfs/dbraw/zinc/08/42/56/554084256.db2.gz	RGIHETULSZYMFH-FOKLQQMPSA-N	-1	3	478.437	5.523	50	30		JKEAHM
CCOc1cc([C@H]2c3c(ccc4ccccc43)N=C3c4ccccc4C(=O)C32)cc(Br)c1[O-]	ZINC000002191613	554086551	/nfs/dbraw/zinc/08/65/51/554086551.db2.gz	HODUNBDUWGPGSR-QHCPKHFHSA-N	-1	3	498.376	6.872	50	30		JKEAHM
Cc1onc(-c2ccccc2)c1C(=O)NC(=S)[N-]c1sc2c(c1C#N)CCCCCC2	ZINC000002220170	554100276	/nfs/dbraw/zinc/10/02/76/554100276.db2.gz	GHKNWBGJBNDAGC-UHFFFAOYSA-N	-1	3	450.589	5.369	50	30		JKEAHM
Cc1ccc(-n2c([N-]C(=O)c3ccc(Br)o3)c(C#N)c3nc4ccccc4nc32)cc1	ZINC000002286527	554133156	/nfs/dbraw/zinc/13/31/56/554133156.db2.gz	SIIYZGJTXIIHIG-UHFFFAOYSA-N	-1	3	472.302	5.362	50	30		JKEAHM
Cc1ccc(N=C([N-]C(=O)N2c3ccccc3Sc3ccccc32)Nc2nc(C)cc(C)n2)cc1	ZINC000002299982	554138934	/nfs/dbraw/zinc/13/89/34/554138934.db2.gz	YFUIPKUEEXMVDC-UHFFFAOYSA-N	-1	3	480.597	6.514	50	30		JKEAHM
CC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3sc4cccc(Cl)c4c3Cl)sc2C1	ZINC000002758971	554330524	/nfs/dbraw/zinc/33/05/24/554330524.db2.gz	QSMPLJMZOIMLPJ-NSHDSACASA-N	-1	3	463.455	7.545	50	30		JKEAHM
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cc(Cl)c([O-])c(OCC)c1	ZINC000002771860	554336844	/nfs/dbraw/zinc/33/68/44/554336844.db2.gz	UVKAKEHHGFTVQA-IQGLISFBSA-N	-1	3	496.003	5.759	50	30		JKEAHM
COc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(OC)c(O)c4)c(C)c3)cc2C)cc1[O-]	ZINC000002894909	554409382	/nfs/dbraw/zinc/40/93/82/554409382.db2.gz	AHXQOZBLQQBGCG-LTTYKRRRSA-N	-1	3	480.564	6.900	50	30		JKEAHM
COc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(OC)c(O)c4)cc3)cc2)cc1[O-]	ZINC000002894905	554409419	/nfs/dbraw/zinc/40/94/19/554409419.db2.gz	PCOHOOSGULIKCX-GFTXTJKWSA-N	-1	3	466.537	6.207	50	30		JKEAHM
Cc1nc(-c2cc(C#N)c(SCC[N-]S(=O)(=O)c3ccc(Cl)cc3Cl)nc2C)cs1	ZINC000006059050	554500956	/nfs/dbraw/zinc/50/09/56/554500956.db2.gz	GDMOZVCHBMYMDM-UHFFFAOYSA-N	-1	3	499.470	5.071	50	30		JKEAHM
Cc1cccc(N=C2C=C([N-]S(=O)(=O)c3ccc(Br)cc3)c3ccccc3C2=O)c1	ZINC000006133475	554505634	/nfs/dbraw/zinc/50/56/34/554505634.db2.gz	RWIIYDYETHPRRY-YYADALCUSA-N	-1	3	481.371	5.128	50	30		JKEAHM
O=C1[N-]/C(=N/N=C/c2ccc(-c3ccc(Br)cc3)o2)S[C@H]1Cc1ccc(Cl)cc1	ZINC000006147864	554511135	/nfs/dbraw/zinc/51/11/35/554511135.db2.gz	NZCBTSSIBBQHIC-OGBFJMLUSA-N	-1	3	488.794	5.527	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1	ZINC000006406755	554533549	/nfs/dbraw/zinc/53/35/49/554533549.db2.gz	ZCUNXQDXEKGJLI-JOCHJYFZSA-N	-1	3	467.443	5.805	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1	ZINC000006406341	554533598	/nfs/dbraw/zinc/53/35/98/554533598.db2.gz	ZCUNXQDXEKGJLI-QFIPXVFZSA-N	-1	3	467.443	5.805	50	30		JKEAHM
Cc1ccccc1N1C(=O)C(=O)C(=C([O-])C=Cc2ccccc2)[C@@H]1c1ccc(Br)cc1	ZINC000006459948	554542212	/nfs/dbraw/zinc/54/22/12/554542212.db2.gz	ZJOFYPMVDCVIQT-VLSFKVKESA-N	-1	3	474.354	5.940	50	30		JKEAHM
[O-]c1ccc(Br)cc1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1	ZINC000006473790	554543703	/nfs/dbraw/zinc/54/37/03/554543703.db2.gz	SYWSIZQDGBKLCO-ZVHZXABRSA-N	-1	3	476.338	5.273	50	30		JKEAHM
CCOC(=O)c1c(/N=C/c2cc(I)cc(C)c2[O-])sc2c1CCCC2	ZINC000006599650	554554525	/nfs/dbraw/zinc/55/45/25/554554525.db2.gz	JCHUUZNROMKDNF-UFFVCSGVSA-N	-1	3	469.344	5.173	50	30		JKEAHM
Cc1cc(-c2nc3ccccc3o2)ccc1/N=C/c1c(C)c([O-])n2c3ccccc3nc2c1C#N	ZINC000008434813	554586969	/nfs/dbraw/zinc/58/69/69/554586969.db2.gz	YKTLZUMUOIUHFK-FJEPWZHXSA-N	-1	3	457.493	6.240	50	30		JKEAHM
Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3cc(C)ccc3C)[C@@H]2c2ccc(C(C)(C)C)cc2)s1	ZINC000008440216	554591151	/nfs/dbraw/zinc/59/11/51/554591151.db2.gz	ZHOKIOSSUWJDCX-NRFANRHFSA-N	-1	3	461.587	5.544	50	30		JKEAHM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(C(C)(C)C)cc2)s1	ZINC000008440216	554591155	/nfs/dbraw/zinc/59/11/55/554591155.db2.gz	ZHOKIOSSUWJDCX-NRFANRHFSA-N	-1	3	461.587	5.544	50	30		JKEAHM
Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(C(C)C)cc2)s1	ZINC000008738348	554639788	/nfs/dbraw/zinc/63/97/88/554639788.db2.gz	WBOKJXWNJLJJTB-QFIPXVFZSA-N	-1	3	477.586	5.540	50	30		JKEAHM
Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC(C)C)cc3)[C@H]2c2ccc(C(C)C)cc2)s1	ZINC000008738347	554639804	/nfs/dbraw/zinc/63/98/04/554639804.db2.gz	WBOKJXWNJLJJTB-JOCHJYFZSA-N	-1	3	477.586	5.540	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3ccc(C)cc3)sc2c1	ZINC000008740727	554642817	/nfs/dbraw/zinc/64/28/17/554642817.db2.gz	GPFRQPLZZRHSME-QFIPXVFZSA-N	-1	3	458.539	5.851	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(F)cc2)cc1C	ZINC000008740701	554642864	/nfs/dbraw/zinc/64/28/64/554642864.db2.gz	HWOHLNYADPEDAO-QHCPKHFHSA-N	-1	3	488.540	5.844	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccs2)c1	ZINC000008740636	554642903	/nfs/dbraw/zinc/64/29/03/554642903.db2.gz	ARPJIACEAYIHQN-HXUWFJFHSA-N	-1	3	462.552	5.458	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3cccs3)sc2c1	ZINC000008742696	554645336	/nfs/dbraw/zinc/64/53/36/554645336.db2.gz	MHDIDOMGHSRVSZ-OAQYLSRUSA-N	-1	3	476.579	5.712	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C)cc2)c1	ZINC000008743858	554646996	/nfs/dbraw/zinc/64/69/96/554646996.db2.gz	UETLJCDFSSWJDK-HSZRJFAPSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C)cc2)c1	ZINC000008743858	554646998	/nfs/dbraw/zinc/64/69/98/554646998.db2.gz	UETLJCDFSSWJDK-HSZRJFAPSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2)c1	ZINC000008744136	554647109	/nfs/dbraw/zinc/64/71/09/554647109.db2.gz	NFEJKWAFVBTTMR-QHCPKHFHSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2)c1	ZINC000008744136	554647112	/nfs/dbraw/zinc/64/71/12/554647112.db2.gz	NFEJKWAFVBTTMR-QHCPKHFHSA-N	-1	3	470.550	5.705	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cccc(OC)c3)sc2c1	ZINC000008744086	554647133	/nfs/dbraw/zinc/64/71/33/554647133.db2.gz	YBXAXCGZNKKNSD-OAQYLSRUSA-N	-1	3	476.579	5.712	50	30		JKEAHM
COc1ccccc1[C@H]1C(=C([O-])c2ccc(C)cc2)C(=O)C(=O)N1c1nc2ccc(F)cc2s1	ZINC000008818189	554701621	/nfs/dbraw/zinc/70/16/21/554701621.db2.gz	IXRRGUVMAQIMRC-QFIPXVFZSA-N	-1	3	474.513	5.535	50	30		JKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cc4ccccc4o3)[C@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000008827771	554717817	/nfs/dbraw/zinc/71/78/17/554717817.db2.gz	SEJDLNDCJFHSQE-HSZRJFAPSA-N	-1	3	456.498	5.810	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2)cc1	ZINC000008836589	554736682	/nfs/dbraw/zinc/73/66/82/554736682.db2.gz	TXCOHVSLNPLFOX-HSZRJFAPSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2)cc1	ZINC000008836589	554736684	/nfs/dbraw/zinc/73/66/84/554736684.db2.gz	TXCOHVSLNPLFOX-HSZRJFAPSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000008836967	554737382	/nfs/dbraw/zinc/73/73/82/554737382.db2.gz	BSGWCFOABWIIMP-QHCPKHFHSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000008836967	554737384	/nfs/dbraw/zinc/73/73/84/554737384.db2.gz	BSGWCFOABWIIMP-QHCPKHFHSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000008837114	554737560	/nfs/dbraw/zinc/73/75/60/554737560.db2.gz	UVRPTECKAJYWDH-RUZDIDTESA-N	-1	3	498.604	6.520	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000008837114	554737562	/nfs/dbraw/zinc/73/75/62/554737562.db2.gz	UVRPTECKAJYWDH-RUZDIDTESA-N	-1	3	498.604	6.520	50	30		JKEAHM
Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)C)cc2)s1	ZINC000008837491	554738349	/nfs/dbraw/zinc/73/83/49/554738349.db2.gz	ASSNALSYKYFARI-LJQANCHMSA-N	-1	3	453.951	5.406	50	30		JKEAHM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)C)cc2)s1	ZINC000008837491	554738352	/nfs/dbraw/zinc/73/83/52/554738352.db2.gz	ASSNALSYKYFARI-LJQANCHMSA-N	-1	3	453.951	5.406	50	30		JKEAHM
COc1cccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Br)c2)c1	ZINC000008846472	554745130	/nfs/dbraw/zinc/74/51/30/554745130.db2.gz	SXZCXOOZTVLGKD-JOCHJYFZSA-N	-1	3	478.342	5.549	50	30		JKEAHM
CC(C)c1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccccc3s2)cc1	ZINC000008856811	554752741	/nfs/dbraw/zinc/75/27/41/554752741.db2.gz	KAQVILSKLACVST-HSZRJFAPSA-N	-1	3	454.551	6.203	50	30		JKEAHM
CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccccc3s2)cc1	ZINC000008856811	554752743	/nfs/dbraw/zinc/75/27/43/554752743.db2.gz	KAQVILSKLACVST-HSZRJFAPSA-N	-1	3	454.551	6.203	50	30		JKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)sc1C	ZINC000008859249	554755807	/nfs/dbraw/zinc/75/58/07/554755807.db2.gz	BCAMHFMAOLQKDP-OAQYLSRUSA-N	-1	3	481.017	6.494	50	30		JKEAHM
Cc1ccc(Nc2nc(N=NCc3ccc(F)cc3)nc([N-]c3ccc([N+](=O)[O-])cc3)n2)cc1C	ZINC000008872762	554769493	/nfs/dbraw/zinc/76/94/93/554769493.db2.gz	OCVSFEKHZHRCIN-VULFUBBASA-N	-1	3	472.484	5.469	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000008894411	554783742	/nfs/dbraw/zinc/78/37/42/554783742.db2.gz	GAZBRZRTAWMVIP-HSZRJFAPSA-N	-1	3	499.548	5.858	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000008894541	554783815	/nfs/dbraw/zinc/78/38/15/554783815.db2.gz	OBUICFASXXVVGL-VWLOTQADSA-N	-1	3	496.632	6.939	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000008894541	554783817	/nfs/dbraw/zinc/78/38/17/554783817.db2.gz	OBUICFASXXVVGL-VWLOTQADSA-N	-1	3	496.632	6.939	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(C)cc3)sc2c1	ZINC000008894535	554783828	/nfs/dbraw/zinc/78/38/28/554783828.db2.gz	WLUVOYWXEJNLBM-HSZRJFAPSA-N	-1	3	454.551	5.950	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(C)cc3)sc2c1	ZINC000008894535	554783830	/nfs/dbraw/zinc/78/38/30/554783830.db2.gz	WLUVOYWXEJNLBM-HSZRJFAPSA-N	-1	3	454.551	5.950	50	30		JKEAHM
CCOc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1	ZINC000008894558	554783905	/nfs/dbraw/zinc/78/39/05/554783905.db2.gz	ZMPUXGJNAQIQOZ-DEOSSOPVSA-N	-1	3	484.577	6.040	50	30		JKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC(C)C)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000008894803	554784299	/nfs/dbraw/zinc/78/42/99/554784299.db2.gz	UOOMBKPAKJZOIS-XMMPIXPASA-N	-1	3	474.557	5.851	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccc(F)cc3)sc2c1	ZINC000008896848	554786983	/nfs/dbraw/zinc/78/69/83/554786983.db2.gz	RRFUJBRJNQESAM-HSZRJFAPSA-N	-1	3	472.541	6.089	50	30		JKEAHM
CC(C)Oc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000008898510	554789111	/nfs/dbraw/zinc/78/91/11/554789111.db2.gz	RJRPFEUMVDEOBO-VWLOTQADSA-N	-1	3	456.542	5.775	50	30		JKEAHM
CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000008898510	554789114	/nfs/dbraw/zinc/78/91/14/554789114.db2.gz	RJRPFEUMVDEOBO-VWLOTQADSA-N	-1	3	456.542	5.775	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000008905261	554799703	/nfs/dbraw/zinc/79/97/03/554799703.db2.gz	SHEDXMLWTIIAAY-OAQYLSRUSA-N	-1	3	462.571	5.622	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Cl)cc2)c1	ZINC000008913927	554807128	/nfs/dbraw/zinc/80/71/28/554807128.db2.gz	HNHCGLXMULZQGU-QFIPXVFZSA-N	-1	3	490.968	6.050	50	30		JKEAHM
Cc1ccccc1CSc1ncc(Cl)c(C(=O)[N-]c2sc3c(c2C#N)CCCC3)n1	ZINC000008917603	554812840	/nfs/dbraw/zinc/81/28/40/554812840.db2.gz	TYPZLYHCJIUKOQ-UHFFFAOYSA-N	-1	3	455.008	5.795	50	30		JKEAHM
[O-]c1ccc2ccccc2c1CN=Nc1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)n1	ZINC000008927068	554824479	/nfs/dbraw/zinc/82/44/79/554824479.db2.gz	AVOPGVRSRAAVSG-STBIYBPSSA-N	-1	3	495.380	6.878	50	30		JKEAHM
Cc1ccc(-c2cc(-c3ccccc3)nc(N=NCc3cc(Br)ccc3[O-])n2)cc1	ZINC000008927093	554824521	/nfs/dbraw/zinc/82/45/21/554824521.db2.gz	ZEMOOPWDNQXAOO-CVKSISIWSA-N	-1	3	459.347	6.033	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000008973669	554844882	/nfs/dbraw/zinc/84/48/82/554844882.db2.gz	XSYISEKFZYEZBJ-RUZDIDTESA-N	-1	3	498.604	6.520	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000008973669	554844885	/nfs/dbraw/zinc/84/48/85/554844885.db2.gz	XSYISEKFZYEZBJ-RUZDIDTESA-N	-1	3	498.604	6.520	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000008973632	554844930	/nfs/dbraw/zinc/84/49/30/554844930.db2.gz	SUPZFHKVMGTVPC-QFIPXVFZSA-N	-1	3	474.969	6.349	50	30		JKEAHM
CCN(CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(C)cc2)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000008987400	554849949	/nfs/dbraw/zinc/84/99/49/554849949.db2.gz	VDEBXGZUZYZFGQ-JBCNATCCSA-N	-1	3	461.389	5.065	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1	ZINC000008988155	554850608	/nfs/dbraw/zinc/85/06/08/554850608.db2.gz	XFJINVFSZXQFOM-JOCHJYFZSA-N	-1	3	485.521	5.604	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000008996536	554857402	/nfs/dbraw/zinc/85/74/02/554857402.db2.gz	JOLBAXNIKYRLCX-DEOSSOPVSA-N	-1	3	486.593	6.666	50	30		JKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000008996611	554857702	/nfs/dbraw/zinc/85/77/02/554857702.db2.gz	XXPXTPPLHMXCRC-NRFANRHFSA-N	-1	3	450.922	5.717	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C(C)C)cc2)c1	ZINC000008996891	554858246	/nfs/dbraw/zinc/85/82/46/554858246.db2.gz	ADKMZCADRYJAQF-VWLOTQADSA-N	-1	3	498.604	6.520	50	30		JKEAHM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C(C)C)cc2)c1	ZINC000008996891	554858249	/nfs/dbraw/zinc/85/82/49/554858249.db2.gz	ADKMZCADRYJAQF-VWLOTQADSA-N	-1	3	498.604	6.520	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000009007731	554861125	/nfs/dbraw/zinc/86/11/25/554861125.db2.gz	MDMUTRDNYVYMNT-QHCPKHFHSA-N	-1	3	488.996	6.658	50	30		JKEAHM
Cc1cc(C)nc(N=C([N-]C(=O)Nc2cccc(Cl)c2)Nc2ccc(CC(=O)OC(C)C)cc2)n1	ZINC000013176289	555369099	/nfs/dbraw/zinc/36/90/99/555369099.db2.gz	SDCHWCKXURNQKS-UHFFFAOYSA-N	-1	3	494.983	5.353	50	30		JKEAHM
C[C@H](C#N)Sc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)n1-c1ccccc1	ZINC000009630710	555458510	/nfs/dbraw/zinc/45/85/10/555458510.db2.gz	WJTLFSYKRBEBQI-MRXNPFEDSA-N	-1	3	496.017	5.393	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C)cc2)c1	ZINC000013550603	555491609	/nfs/dbraw/zinc/49/16/09/555491609.db2.gz	XJOHWVNMNAKERZ-XMMPIXPASA-N	-1	3	484.577	6.013	50	30		JKEAHM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C)cc2)c1	ZINC000013550603	555491610	/nfs/dbraw/zinc/49/16/10/555491610.db2.gz	XJOHWVNMNAKERZ-XMMPIXPASA-N	-1	3	484.577	6.013	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1OC	ZINC000013551985	555492283	/nfs/dbraw/zinc/49/22/83/555492283.db2.gz	AHNKSIULKDVBCV-QHCPKHFHSA-N	-1	3	476.529	5.081	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(OC)c2)c1	ZINC000013569171	555507624	/nfs/dbraw/zinc/50/76/24/555507624.db2.gz	GXWKBAAUGSZOFO-HSZRJFAPSA-N	-1	3	486.549	5.405	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccs2)cc1C	ZINC000013570301	555508407	/nfs/dbraw/zinc/50/84/07/555508407.db2.gz	HUIHNHMBGYIQIG-OAQYLSRUSA-N	-1	3	476.579	5.766	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccccc3OC)sc2c1	ZINC000013570197	555508466	/nfs/dbraw/zinc/50/84/66/555508466.db2.gz	CXBNXTDHZAYIHO-HSZRJFAPSA-N	-1	3	470.550	5.650	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccs2)c1	ZINC000013570690	555509225	/nfs/dbraw/zinc/50/92/25/555509225.db2.gz	QSPGSSOYGRWJRI-OAQYLSRUSA-N	-1	3	476.579	5.766	50	30		JKEAHM
COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C	ZINC000013571295	555509674	/nfs/dbraw/zinc/50/96/74/555509674.db2.gz	NTXJAPQXWBXOPQ-FQEVSTJZSA-N	-1	3	490.581	5.319	50	30		JKEAHM
COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Cl)c1[O-]	ZINC000019880993	555526239	/nfs/dbraw/zinc/52/62/39/555526239.db2.gz	KUQWWJYTNKBYGY-MZNJEOGPSA-N	-1	3	481.976	5.367	50	30		JKEAHM
CCn1ncc(-c2ccnc3c(C(=O)[N-]c4sc5c(c4C#N)CC[C@H](C(C)(C)C)C5)cnn32)c1C	ZINC000013644717	555549954	/nfs/dbraw/zinc/54/99/54/555549954.db2.gz	PHPFGAQHTKJYQE-INIZCTEOSA-N	-1	3	487.633	5.258	50	30		JKEAHM
COc1cc(/C=C2/S/C(=N\c3cccc4ccccc43)NC2=O)cc(Br)c1[O-]	ZINC000013915025	555646716	/nfs/dbraw/zinc/64/67/16/555646716.db2.gz	UWJCTPGGTDSRCA-WOJGMQOQSA-N	-1	3	455.333	5.208	50	30		JKEAHM
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@@H]2/N=C/c1cc(Br)ccc1[O-]	ZINC000012878284	556122490	/nfs/dbraw/zinc/12/24/90/556122490.db2.gz	HRXCHYCHNSDAKH-PFPBRMBRSA-N	-1	3	458.484	7.375	50	30	biogenic	JKEAHM
Cc1cc(Cl)ccc1OCc1nc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)n[n-]1	ZINC000013016553	556208658	/nfs/dbraw/zinc/20/86/58/556208658.db2.gz	YTXYPNBQFWGQBW-UHFFFAOYSA-N	-1	3	488.038	5.278	50	30		JKEAHM
CCC(C)(C)[C@H]1CCc2sc3ncnc([N-]N=C4c5cc(Br)ccc5NC4=O)c3c2C1	ZINC000025580613	556225250	/nfs/dbraw/zinc/22/52/50/556225250.db2.gz	LSDQCBQVAVQHCM-LBPRGKRZSA-N	-1	3	498.450	5.763	50	30		JKEAHM
O=C(Nc1cc(/N=C/c2cc(Cc3ccccc3Cl)ccc2[O-])ccc1Cl)c1ccccc1	ZINC000027501006	556281662	/nfs/dbraw/zinc/28/16/62/556281662.db2.gz	OWEKWDABQDJYJN-OCSSWDANSA-N	-1	3	475.375	7.293	50	30		JKEAHM
Cc1cc(I)cc(/C=N/c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1[O-]	ZINC000027501150	556281846	/nfs/dbraw/zinc/28/18/46/556281846.db2.gz	WNTZYFZKUQUYKZ-WYMPLXKRSA-N	-1	3	490.728	5.962	50	30		JKEAHM
CCCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2/N=C(\C)c2ccccc2[O-])cc1OC	ZINC000027546597	556294448	/nfs/dbraw/zinc/29/44/48/556294448.db2.gz	GOCWOIVAJOQVHU-AYRFUNSJSA-N	-1	3	459.546	5.570	50	30		JKEAHM
O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)C[C@H](c3cccs3)C1)[C@@H]2c1cc(Cl)ccc1O	ZINC000018196419	556303112	/nfs/dbraw/zinc/30/31/12/556303112.db2.gz	MZKXCIBMNINZIV-PEBXRYMYSA-N	-1	3	489.984	5.544	50	30		JKEAHM
O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3cccs3)C1)[C@@H]2c1cccc(Cl)c1	ZINC000018196884	556303397	/nfs/dbraw/zinc/30/33/97/556303397.db2.gz	XXAIYRTUHFEQIG-AOMKIAJQSA-N	-1	3	473.985	5.839	50	30		JKEAHM
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[n-][nH]c(=O)c2[C@H]3c2ccc(C(C)C)cc2)cc1OC	ZINC000018197106	556304041	/nfs/dbraw/zinc/30/40/41/556304041.db2.gz	HTFXBWXNCZRGBC-MBSDFSHPSA-N	-1	3	459.546	5.214	50	30		JKEAHM
Cc1nn(-c2ccccc2)c2c1[C@@H](c1cc(Cl)ccc1[O-])C1=C(C[C@@H](c3cccs3)CC1=O)N2	ZINC000018197741	556304423	/nfs/dbraw/zinc/30/44/23/556304423.db2.gz	NLQRSUGGKOONTL-PUAOIOHZSA-N	-1	3	488.012	6.559	50	30		JKEAHM
O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3ccco3)C1)[C@@H]2c1ccc(Cl)cc1	ZINC000018197864	556304450	/nfs/dbraw/zinc/30/44/50/556304450.db2.gz	XQRGUUKOFYOESB-AOMKIAJQSA-N	-1	3	457.917	5.370	50	30		JKEAHM
COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2[nH][n-]c(=O)c2[C@H]3c2ccc(C(C)C)cc2)cc(OC)c1OC	ZINC000018198577	556305888	/nfs/dbraw/zinc/30/58/88/556305888.db2.gz	VGEPVVTYFZEJNT-SBUREZEXSA-N	-1	3	489.572	5.223	50	30		JKEAHM
COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2[n-][nH]c(=O)c2[C@H]3c2ccc(C(C)C)cc2)cc(OC)c1OC	ZINC000018198577	556305892	/nfs/dbraw/zinc/30/58/92/556305892.db2.gz	VGEPVVTYFZEJNT-SBUREZEXSA-N	-1	3	489.572	5.223	50	30		JKEAHM
CCOc1ccc([C@@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc1	ZINC000018200072	556307823	/nfs/dbraw/zinc/30/78/23/556307823.db2.gz	RIMJXYVXUWJJSO-UUOWRZLLSA-N	-1	3	467.525	5.116	50	30		JKEAHM
O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3cccs3)C1)[C@H]2c1cccc(F)c1	ZINC000018200572	556308266	/nfs/dbraw/zinc/30/82/66/556308266.db2.gz	UWMAJMRYCMSLOD-KSFYIVLOSA-N	-1	3	457.530	5.324	50	30		JKEAHM
C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)[N-]c2nnc(CC(C)C)s2)ccc1Cl	ZINC000013120809	556334433	/nfs/dbraw/zinc/33/44/33/556334433.db2.gz	ZSINVOMILFPQKA-UHFFFAOYSA-N	-1	3	491.038	5.024	50	30		JKEAHM
COc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1[O-]	ZINC000019535832	556352960	/nfs/dbraw/zinc/35/29/60/556352960.db2.gz	CBTKHNLMBZYBIA-HSZRJFAPSA-N	-1	3	481.976	5.402	50	30		JKEAHM
COc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1[O-]	ZINC000019535834	556353057	/nfs/dbraw/zinc/35/30/57/556353057.db2.gz	CBTKHNLMBZYBIA-QHCPKHFHSA-N	-1	3	481.976	5.402	50	30		JKEAHM
COc1cc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1[O-]	ZINC000019535391	556353085	/nfs/dbraw/zinc/35/30/85/556353085.db2.gz	ULOGFCDRQJWMRP-JOCHJYFZSA-N	-1	3	473.997	5.534	50	30		JKEAHM
COc1cc(Br)cc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1[O-]	ZINC000032112037	556420851	/nfs/dbraw/zinc/42/08/51/556420851.db2.gz	HXXVTJVHYQZFNI-LGJNPRDNSA-N	-1	3	479.330	6.221	50	30		JKEAHM
O=[N+]([O-])c1ccc([N-]c2nc(N=NCc3ccc(Cl)cc3)nc(N3CCCCCC3)n2)cc1	ZINC000032929301	556545687	/nfs/dbraw/zinc/54/56/87/556545687.db2.gz	HAFPYKBDCRJSSB-IWIPYMOSSA-N	-1	3	466.933	5.003	50	30		JKEAHM
CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C	ZINC000008433209	569589602	/nfs/dbraw/zinc/58/96/02/569589602.db2.gz	YYVVBIYFXOXIAY-SANMLTNESA-N	-1	3	484.596	6.259	50	30		JKEAHM
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C	ZINC000008433209	569589604	/nfs/dbraw/zinc/58/96/04/569589604.db2.gz	YYVVBIYFXOXIAY-SANMLTNESA-N	-1	3	484.596	6.259	50	30		JKEAHM
CC(C)(C)c1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccccc3s2)cc1	ZINC000008715697	569596394	/nfs/dbraw/zinc/59/63/94/569596394.db2.gz	LVKQLPKRJPJTMJ-HSZRJFAPSA-N	-1	3	468.578	6.377	50	30		JKEAHM
CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccccc3s2)cc1	ZINC000008715697	569596395	/nfs/dbraw/zinc/59/63/95/569596395.db2.gz	LVKQLPKRJPJTMJ-HSZRJFAPSA-N	-1	3	468.578	6.377	50	30		JKEAHM
COc1cc(Br)cc(/C=N/c2cccc(NC(=O)c3cc4ccccc4o3)c2)c1[O-]	ZINC000098086857	569750438	/nfs/dbraw/zinc/75/04/38/569750438.db2.gz	QRAOWKMZLAJJAM-DHRITJCHSA-N	-1	3	465.303	5.912	50	30		JKEAHM
Cc1cccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@H]2c2ccc(Br)cc2)c1	ZINC000100145061	569753769	/nfs/dbraw/zinc/75/37/69/569753769.db2.gz	GWLNMGBVWRVEBF-USXRGHEGSA-N	-1	3	474.354	5.940	50	30		JKEAHM
CCCCCCCCCCCCCCCCCCOc1ccc(/C(=N/O)c2ccccc2)c([O-])c1	ZINC000100167032	569754717	/nfs/dbraw/zinc/75/47/17/569754717.db2.gz	HHLQINDAWIHBOT-QNEJGDQOSA-N	-1	3	481.721	9.259	50	30		JKEAHM
CCCCCCCCCCCCCCCCCCOc1ccc(/C(=N/[O-])c2ccccc2)c(O)c1	ZINC000100167032	569754719	/nfs/dbraw/zinc/75/47/19/569754719.db2.gz	HHLQINDAWIHBOT-QNEJGDQOSA-N	-1	3	481.721	9.259	50	30		JKEAHM
CCOC(=O)c1c(-c2ccc(C)cc2C)csc1/N=C/c1c2c(ccc1[O-])oc1c2CCCC1	ZINC000100210283	569755512	/nfs/dbraw/zinc/75/55/12/569755512.db2.gz	ZTWMMNISFPNCHJ-IPPBACCNSA-N	-1	3	473.594	7.290	50	30		JKEAHM
[O-]c1ccccc1/C=N/c1ccc2oc(-c3cc(I)ccc3Cl)nc2c1	ZINC000100501686	569762694	/nfs/dbraw/zinc/76/26/94/569762694.db2.gz	MIJDKHNIXLAXCG-FOKLQQMPSA-N	-1	3	474.685	6.209	50	30		JKEAHM
CCOc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccc(F)cc4)nc3c2)c1[O-]	ZINC000100502198	569762897	/nfs/dbraw/zinc/76/28/97/569762897.db2.gz	ULRSBYPSZFSOQW-BRJLIKDPSA-N	-1	3	455.283	6.251	50	30		JKEAHM
CCOc1cc(Br)cc(/C=N/c2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)c1[O-]	ZINC000100503685	569762942	/nfs/dbraw/zinc/76/29/42/569762942.db2.gz	VWSGQUAACDVGPI-RPPGKUMJSA-N	-1	3	485.765	7.074	50	30		JKEAHM
CCOc1cc(Br)cc(/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1[O-]	ZINC000100507489	569763213	/nfs/dbraw/zinc/76/32/13/569763213.db2.gz	QKVAIAXJJDOMRX-BRJLIKDPSA-N	-1	3	471.738	6.766	50	30		JKEAHM
COc1ccccc1-c1nc2cc(/N=C/c3cc(Br)cc(OC)c3[O-])ccc2o1	ZINC000100511248	569763377	/nfs/dbraw/zinc/76/33/77/569763377.db2.gz	WNRYRHOCAQQQPQ-WYMPLXKRSA-N	-1	3	453.292	5.731	50	30		JKEAHM
CCCCCCCN(CCCCCCC)C(=NS(=O)(=O)[N-]c1ccccc1)Nc1ccccc1	ZINC000100691322	569767003	/nfs/dbraw/zinc/76/70/03/569767003.db2.gz	DFYOOFNVNIWHKH-UHFFFAOYSA-N	-1	3	486.726	7.054	50	30		JKEAHM
[O-]c1ccc(Br)cc1/C=N/c1sc2c(c1-c1nc3ccccc3s1)CCCC2	ZINC000100813227	569770577	/nfs/dbraw/zinc/77/05/77/569770577.db2.gz	MHHUAJSPGNGTHD-WYMPLXKRSA-N	-1	3	469.429	7.122	50	30		JKEAHM
CCCCCCCCCCCCCCCCOc1ccc(C(=O)Nc2ccc(N)cc2[O-])cc1OC	ZINC000101016929	569779542	/nfs/dbraw/zinc/77/95/42/569779542.db2.gz	GNKAUPKGAIKDSL-UHFFFAOYSA-N	-1	3	498.708	8.095	50	30		JKEAHM
O=C(C=Cc1ccccc1)C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1F	ZINC000102438136	569813095	/nfs/dbraw/zinc/81/30/95/569813095.db2.gz	SWETWLIZSGTZEL-DLURUVICSA-N	-1	3	467.418	6.027	50	30		JKEAHM
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2F)C1=C([O-])C=Cc1ccccc1	ZINC000102438136	569813096	/nfs/dbraw/zinc/81/30/96/569813096.db2.gz	SWETWLIZSGTZEL-DLURUVICSA-N	-1	3	467.418	6.027	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccc(Br)cc1	ZINC000102449839	569813306	/nfs/dbraw/zinc/81/33/06/569813306.db2.gz	TTZOFSHYZBCAQM-LJQANCHMSA-N	-1	3	464.363	5.129	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccccc3)nc2c(C)c1	ZINC000102861685	569825026	/nfs/dbraw/zinc/82/50/26/569825026.db2.gz	PUANGZHISMKGFN-IAMBOQNYSA-N	-1	3	458.514	5.679	50	30		JKEAHM
COc1ccccc1[C@H]1C(=C([O-])c2ccc(F)cc2)C(=O)C(=O)N1c1nc2c(cc(C)cc2C)s1	ZINC000102862709	569825255	/nfs/dbraw/zinc/82/52/55/569825255.db2.gz	QFBUHSNGSWUJBC-BUANBSPESA-N	-1	3	488.540	5.687	50	30		JKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)sc1C	ZINC000102862878	569825262	/nfs/dbraw/zinc/82/52/62/569825262.db2.gz	PTGCKALANXVKIV-HOGKFDNTSA-N	-1	3	460.599	5.992	50	30		JKEAHM
Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)sc1C	ZINC000102862878	569825263	/nfs/dbraw/zinc/82/52/63/569825263.db2.gz	PTGCKALANXVKIV-HOGKFDNTSA-N	-1	3	460.599	5.992	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102864869	569825650	/nfs/dbraw/zinc/82/56/50/569825650.db2.gz	ADIAPZQSQREUGL-NPJIAGGLSA-N	-1	3	498.604	6.445	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102864869	569825652	/nfs/dbraw/zinc/82/56/52/569825652.db2.gz	ADIAPZQSQREUGL-NPJIAGGLSA-N	-1	3	498.604	6.445	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2F)cc1C	ZINC000102868967	569825752	/nfs/dbraw/zinc/82/57/52/569825752.db2.gz	HEERTFCUCUHPSX-ZHHPLPSFSA-N	-1	3	488.540	5.687	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1Cl	ZINC000102874675	569826087	/nfs/dbraw/zinc/82/60/87/569826087.db2.gz	WNPCWBMPHYLOJQ-MOBKVPTQSA-N	-1	3	497.016	6.172	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1	ZINC000102873937	569826142	/nfs/dbraw/zinc/82/61/42/569826142.db2.gz	KGZUFTDTFQZXMA-IAMBOQNYSA-N	-1	3	485.521	5.448	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl	ZINC000102874673	569826267	/nfs/dbraw/zinc/82/62/67/569826267.db2.gz	WNPCWBMPHYLOJQ-HOGKFDNTSA-N	-1	3	497.016	6.172	50	30		JKEAHM
COc1ccc(OC)c([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000102874817	569826400	/nfs/dbraw/zinc/82/64/00/569826400.db2.gz	VGACVGYWAPSHJJ-JBCNATCCSA-N	-1	3	492.578	5.310	50	30		JKEAHM
O=C(C1=C([O-])C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	ZINC000102928204	569827164	/nfs/dbraw/zinc/82/71/64/569827164.db2.gz	FEZNWETVHAQXRK-DWEDTRNSSA-N	-1	3	466.748	5.248	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccccc3)sc2c1	ZINC000102929742	569827915	/nfs/dbraw/zinc/82/79/15/569827915.db2.gz	CUCVZVPPCRQSJM-AYWGPLOBSA-N	-1	3	470.550	5.630	50	30		JKEAHM
COC(=O)c1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102930146	569828019	/nfs/dbraw/zinc/82/80/19/569828019.db2.gz	VIFQCDUVERJQKB-BUANBSPESA-N	-1	3	498.560	5.326	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102930390	569828107	/nfs/dbraw/zinc/82/81/07/569828107.db2.gz	HQJGLAQTORUYTL-YDJIHCHBSA-N	-1	3	462.552	5.301	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2)cc1	ZINC000102930901	569828186	/nfs/dbraw/zinc/82/81/86/569828186.db2.gz	ZDVADZBKOHBRTB-COUQNMRISA-N	-1	3	454.551	5.848	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2)cc1	ZINC000102930901	569828188	/nfs/dbraw/zinc/82/81/88/569828188.db2.gz	ZDVADZBKOHBRTB-COUQNMRISA-N	-1	3	454.551	5.848	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000102931319	569828395	/nfs/dbraw/zinc/82/83/95/569828395.db2.gz	YOBBYNSMQXJTOK-AYWGPLOBSA-N	-1	3	486.549	5.248	50	30		JKEAHM
COc1cccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000102932835	569828965	/nfs/dbraw/zinc/82/89/65/569828965.db2.gz	CAXUNLQQLRRLCY-ZHHPLPSFSA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000102932835	569828967	/nfs/dbraw/zinc/82/89/67/569828967.db2.gz	CAXUNLQQLRRLCY-ZHHPLPSFSA-N	-1	3	470.550	5.548	50	30		JKEAHM
Cc1ccc(N=C2C=C([N-]S(=O)(=O)c3ccc(Br)cc3)c3ccccc3C2=O)c(C)c1	ZINC000103746239	569837703	/nfs/dbraw/zinc/83/77/03/569837703.db2.gz	TXONOBKPUWFOJI-HPNDGRJYSA-N	-1	3	495.398	5.436	50	30		JKEAHM
O=C(C=Cc1ccccc1)C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1F	ZINC000104149630	569842063	/nfs/dbraw/zinc/84/20/63/569842063.db2.gz	SWETWLIZSGTZEL-XRNAITRYSA-N	-1	3	467.418	6.027	50	30		JKEAHM
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccccc2F)C1=C([O-])C=Cc1ccccc1	ZINC000104149630	569842065	/nfs/dbraw/zinc/84/20/65/569842065.db2.gz	SWETWLIZSGTZEL-XRNAITRYSA-N	-1	3	467.418	6.027	50	30		JKEAHM
O=C(CCCCCCC(=O)N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)N[O-]	ZINC000142455020	569867527	/nfs/dbraw/zinc/86/75/27/569867527.db2.gz	KXWWYFKVBFUVIZ-SGWCAAJKSA-N	-1	3	458.562	5.453	50	30	in-vitro	JKEAHM
CCn1c2ccccc2c2cc(C=Nc3ccc(S(=O)(=O)[N-]c4c(C)cc(C)cc4C)cc3)ccc21	ZINC000252460210	570081239	/nfs/dbraw/zinc/08/12/39/570081239.db2.gz	CPRVUCSNXXENNI-UHFFFAOYSA-N	-1	3	495.648	7.291	50	30		JKEAHM
CCN(CC)c1ccc(C=Nc2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)cc2)c(O)c1	ZINC000252461191	570081336	/nfs/dbraw/zinc/08/13/36/570081336.db2.gz	LDTGTWHJEUMMDZ-UHFFFAOYSA-N	-1	3	465.619	5.715	50	30		JKEAHM
[O-]c1c(C=Nc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)cccc1-c1ccccc1	ZINC000252591160	570084060	/nfs/dbraw/zinc/08/40/60/570084060.db2.gz	AYCAUVBBUJHBCK-UHFFFAOYSA-N	-1	3	459.332	7.925	50	30		JKEAHM
CCOc1ccc(Br)c(C=Nc2ccc(-c3cc4ccccc4oc3=O)cc2)c1[O-]	ZINC000252599728	570084939	/nfs/dbraw/zinc/08/49/39/570084939.db2.gz	DKTCILMOHWKJBY-UHFFFAOYSA-N	-1	3	464.315	6.077	50	30		JKEAHM
COc1cc(-c2nc3ccccn3c2N=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)ccc1[O-]	ZINC000252607316	570085587	/nfs/dbraw/zinc/08/55/87/570085587.db2.gz	HAEUSNASLANSPX-UHFFFAOYSA-N	-1	3	457.917	6.688	50	30		JKEAHM
CCOc1cc(Br)cc(C=Nc2ccc(-c3nc4c(cccc4C)o3)cc2)c1[O-]	ZINC000252609070	570085927	/nfs/dbraw/zinc/08/59/27/570085927.db2.gz	HQGUVQYQWXPJFF-UHFFFAOYSA-N	-1	3	451.320	6.421	50	30		JKEAHM
Cc1ccccc1N=C1S/C(=C\c2cc([O-])ccc2Br)C(=O)N1c1ccccc1C	ZINC000252610562	570085983	/nfs/dbraw/zinc/08/59/83/570085983.db2.gz	ICPAJAORVHVTMP-WJEPFGLZSA-N	-1	3	479.399	6.580	50	30		JKEAHM
COc1ccc(Br)c(C=Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)c1[O-]	ZINC000252610067	570086077	/nfs/dbraw/zinc/08/60/77/570086077.db2.gz	HYVKPNFQLFOZCN-UHFFFAOYSA-N	-1	3	457.711	6.376	50	30		JKEAHM
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)C(=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1	ZINC000252620758	570087305	/nfs/dbraw/zinc/08/73/05/570087305.db2.gz	MLPGAKGZEUFMJF-WVBUVRCRSA-N	-1	3	468.510	5.323	50	30		JKEAHM
[O-]c1c(C=Nc2ccc(N3CCOCC3)cc2)cc(Br)cc1Cc1ccccc1	ZINC000252622914	570087724	/nfs/dbraw/zinc/08/77/24/570087724.db2.gz	OFSZQAKEVFYFHP-UHFFFAOYSA-N	-1	3	451.364	5.333	50	30		JKEAHM
COc1ccccc1NC(=O)CSc1nc2ccc(N=Cc3cc(Cl)ccc3[O-])cc2s1	ZINC000252626729	570088529	/nfs/dbraw/zinc/08/85/29/570088529.db2.gz	RENZYRKZGMDBKC-UHFFFAOYSA-N	-1	3	484.002	6.145	50	30		JKEAHM
CCCCNC(=O)CSc1nc2ccc(N=Cc3cc(Br)ccc3[O-])cc2s1	ZINC000252626826	570088560	/nfs/dbraw/zinc/08/85/60/570088560.db2.gz	RGIHETULSZYMFH-UHFFFAOYSA-N	-1	3	478.437	5.523	50	30		JKEAHM
CCc1ccccc1N=C1S/C(=C/c2cc(Cl)c([O-])c(OC)c2)C(=O)N1c1ccccc1CC	ZINC000252630138	570089278	/nfs/dbraw/zinc/08/92/78/570089278.db2.gz	UVKZDRXJKSDYRQ-YCBRDWMHSA-N	-1	3	493.028	6.988	50	30		JKEAHM
CCN(CC)c1ccc(C=NN=C2N=C(Nc3ccccc3)C(=Nc3ccccc3)S2)c([O-])c1	ZINC000252631374	570089417	/nfs/dbraw/zinc/08/94/17/570089417.db2.gz	VKJQCQBXWCWNTG-UHFFFAOYSA-N	-1	3	470.602	5.725	50	30		JKEAHM
CCOc1cc(Br)cc(C=Nc2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)c1[O-]	ZINC000252632783	570089495	/nfs/dbraw/zinc/08/94/95/570089495.db2.gz	VWSGQUAACDVGPI-UHFFFAOYSA-N	-1	3	485.765	7.074	50	30		JKEAHM
CCOc1cc(Br)cc(C=Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c1[O-]	ZINC000252634477	570089789	/nfs/dbraw/zinc/08/97/89/570089789.db2.gz	WOIVOFBWONMYII-UHFFFAOYSA-N	-1	3	471.738	6.766	50	30		JKEAHM
Cc1ccc2c(c1)sc(=NN=Cc1cc(Br)ccc1[O-])n2Cc1ccccc1	ZINC000252640180	570090303	/nfs/dbraw/zinc/09/03/03/570090303.db2.gz	YQSKDHJRQBBKJY-UHFFFAOYSA-N	-1	3	452.377	5.462	50	30		JKEAHM
CCOC(=O)c1c(C)c(C)sc1N=Cc1c2c(cc(C(C)(C)C)c1[O-])oc1c2CCCC1	ZINC000252640641	570090432	/nfs/dbraw/zinc/09/04/32/570090432.db2.gz	YWBTUCOTPKPXIQ-UHFFFAOYSA-N	-1	3	453.604	6.920	50	30		JKEAHM
CSC(=Nc1ccccc1)NN=Cc1cc(C)cc(C=NN[C@@H](Nc2ccccc2)SC)c1[O-]	ZINC000252678047	570094200	/nfs/dbraw/zinc/09/42/00/570094200.db2.gz	CQSBUOCVPAJYGX-XMMPIXPASA-N	-1	3	492.674	5.357	50	30		JKEAHM
CC(C)(C)c1ccc(CSc2nc3ccc(/N=C/c4c([O-])ccc5ccccc54)cc3s2)cc1	ZINC000003094831	194225040	/nfs/dbraw/zinc/22/50/40/194225040.db2.gz	UFZAPJYEOADONY-OCSSWDANSA-N	-1	3	482.674	8.496	50	30		JKEAHM
[O-]c1ccc(Br)cc1/C=N/c1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1	ZINC000003049919	194218679	/nfs/dbraw/zinc/21/86/79/194218679.db2.gz	BDGFDVVVGAGMLX-YSURURNPSA-N	-1	3	462.130	7.020	50	30		JKEAHM
Cc1ccc2nc(-c3cccc(/N=C/c4cc(C)cc(I)c4[O-])c3)oc2c1	ZINC000003050815	194218912	/nfs/dbraw/zinc/21/89/12/194218912.db2.gz	TWMINOMTNSUHLQ-WYMPLXKRSA-N	-1	3	468.294	6.172	50	30		JKEAHM
COc1cc(Br)cc(/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1[O-]	ZINC000003184618	194235745	/nfs/dbraw/zinc/23/57/45/194235745.db2.gz	JEVKOTIGQVTFGC-BHGWPJFGSA-N	-1	3	457.711	6.376	50	30		JKEAHM
COc1cc(Br)c(Br)c(/C=N/c2cc(Cl)ccc2Cl)c1[O-]	ZINC000003113597	194227176	/nfs/dbraw/zinc/22/71/76/194227176.db2.gz	FLLSJNPWBFFSDF-KPSZGOFPSA-N	-1	3	453.945	5.983	50	30		JKEAHM
CCC[C@@H](C)c1ccc(O)c(/N=C/c2c([O-])c(OC)cc(Br)c2Br)c1	ZINC000003113575	194227233	/nfs/dbraw/zinc/22/72/33/194227233.db2.gz	KTOUKIFHNRDRPH-WMJRALALSA-N	-1	3	471.189	6.286	50	30		JKEAHM
[O-]c1ccc(Br)cc1/C=N/c1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1	ZINC000003113168	194227321	/nfs/dbraw/zinc/22/73/21/194227321.db2.gz	ACIDHFLCOZVYJT-YSURURNPSA-N	-1	3	462.130	7.020	50	30		JKEAHM
N#Cc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3Cl)c2)c1	ZINC000003220317	194242004	/nfs/dbraw/zinc/24/20/04/194242004.db2.gz	KCLSDWZOGQTDGV-UHFFFAOYSA-N	-1	3	479.867	5.284	50	30		JKEAHM
O=C1CCCC2=C1[C@H](c1cc(-c3ccccc3)c([O-])c(-c3ccccc3)c1)Nc1ccc3ccccc3c12	ZINC000003633843	194345109	/nfs/dbraw/zinc/34/51/09/194345109.db2.gz	OWENRACXZWBRER-UMSFTDKQSA-N	-1	3	493.606	8.553	50	30		JKEAHM
O=C(CSc1nc2ccc(/N=C/c3c([O-])ccc4ccccc43)cc2s1)Nc1ccccc1F	ZINC000003663343	194355815	/nfs/dbraw/zinc/35/58/15/194355815.db2.gz	ZIZWPGIZTGVHBK-CCVNUDIWSA-N	-1	3	487.581	6.776	50	30		JKEAHM
COc1ccccc1NC(=O)CSc1nc2ccc(/N=C/c3c([O-])ccc4ccccc43)cc2s1	ZINC000003667003	194357198	/nfs/dbraw/zinc/35/71/98/194357198.db2.gz	KBMCUDIZXSLILK-RWPZCVJISA-N	-1	3	499.617	6.645	50	30		JKEAHM
CCc1c(C)sc([N-]C(=O)c2cnn3c2nc(-c2ccccc2OC)cc3C(F)(F)F)c1C#N	ZINC000012845404	195151946	/nfs/dbraw/zinc/15/19/46/195151946.db2.gz	AHZKNSPLZUGODG-UHFFFAOYSA-N	-1	3	485.491	5.480	50	30		JKEAHM
N#Cc1c(N)nc2sc(C(=O)c3ccc(-c4ccccc4)cc3)c(N)c2c1-c1ccc([O-])cc1	ZINC000020840853	195229963	/nfs/dbraw/zinc/22/99/63/195229963.db2.gz	WDISYNTUNBHNRD-UHFFFAOYSA-N	-1	3	462.534	5.603	50	30		JKEAHM
Cc1cccc(C(C)C)c1NC(=O)C(=O)C(=C([O-])C=Cc1ccccc1)[C@@H]1OC(=O)c2ccccc21	ZINC000102299951	130118921	/nfs/dbraw/zinc/11/89/21/130118921.db2.gz	PFTXEIWGBUZSCG-ODOYXVBQSA-N	-1	3	481.548	5.436	50	30		JKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC(C)C)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000102368624	130122030	/nfs/dbraw/zinc/12/20/30/130122030.db2.gz	KLYJDYAUAUUOSF-SBXHHDGASA-N	-1	3	474.557	5.694	50	30		JKEAHM
Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(C(C)C)cc2)s1	ZINC000102369331	130124133	/nfs/dbraw/zinc/12/41/33/130124133.db2.gz	JOIIEIPQHWEIIO-MOBKVPTQSA-N	-1	3	477.586	5.383	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(Cl)cc3)sc2c1	ZINC000102483791	130137426	/nfs/dbraw/zinc/13/74/26/130137426.db2.gz	LYASMHBMVBBCCT-MRJHHRETSA-N	-1	3	460.942	5.884	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102494452	130148677	/nfs/dbraw/zinc/14/86/77/130148677.db2.gz	LARJTALPPCATPT-NXLSWJSLSA-N	-1	3	486.568	6.494	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102508043	130162607	/nfs/dbraw/zinc/16/26/07/130162607.db2.gz	MLZFKHUKHTYWGE-AYWGPLOBSA-N	-1	3	476.598	5.908	50	30		JKEAHM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102508043	130162609	/nfs/dbraw/zinc/16/26/09/130162609.db2.gz	MLZFKHUKHTYWGE-AYWGPLOBSA-N	-1	3	476.598	5.908	50	30		JKEAHM
COc1cccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1	ZINC000102509522	130163426	/nfs/dbraw/zinc/16/34/26/130163426.db2.gz	JZRMJIDXWHWRGC-BUANBSPESA-N	-1	3	488.540	5.687	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102510212	130164590	/nfs/dbraw/zinc/16/45/90/130164590.db2.gz	FQHNOQHSJFMXDU-ZZIWUOEGSA-N	-1	3	484.577	5.856	50	30		JKEAHM
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102510212	130164594	/nfs/dbraw/zinc/16/45/94/130164594.db2.gz	FQHNOQHSJFMXDU-ZZIWUOEGSA-N	-1	3	484.577	5.856	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(C)cc2)cc1OC	ZINC000102511974	130166032	/nfs/dbraw/zinc/16/60/32/130166032.db2.gz	DBECZXGTWLAALG-ZHHPLPSFSA-N	-1	3	463.917	5.292	50	30		JKEAHM
COc1ccccc1[C@@H]1C(=C([O-])c2ccc(C)cc2)C(=O)C(=O)N1c1nc2ccc(C)cc2s1	ZINC000102524308	130176564	/nfs/dbraw/zinc/17/65/64/130176564.db2.gz	YGPLIFMVKJUYLV-ZHHPLPSFSA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)cc2)=C([O-])C(=O)N1c1nc2ccc(C)cc2s1	ZINC000102524308	130176566	/nfs/dbraw/zinc/17/65/66/130176566.db2.gz	YGPLIFMVKJUYLV-ZHHPLPSFSA-N	-1	3	470.550	5.548	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1	ZINC000102527427	130179639	/nfs/dbraw/zinc/17/96/39/130179639.db2.gz	BRXPEFJKXVSMBN-HOGKFDNTSA-N	-1	3	474.969	6.193	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102530594	130184188	/nfs/dbraw/zinc/18/41/88/130184188.db2.gz	CWSMNHSVMDSKAB-NXLSWJSLSA-N	-1	3	484.577	6.055	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102530594	130184189	/nfs/dbraw/zinc/18/41/89/130184189.db2.gz	CWSMNHSVMDSKAB-NXLSWJSLSA-N	-1	3	484.577	6.055	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102531136	130184515	/nfs/dbraw/zinc/18/45/15/130184515.db2.gz	COPTZYDNJJYDRP-IUKMQXEJSA-N	-1	3	496.632	6.837	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102531136	130184518	/nfs/dbraw/zinc/18/45/18/130184518.db2.gz	COPTZYDNJJYDRP-IUKMQXEJSA-N	-1	3	496.632	6.837	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102531144	130184555	/nfs/dbraw/zinc/18/45/55/130184555.db2.gz	COPTZYDNJJYDRP-NPJIAGGLSA-N	-1	3	496.632	6.837	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102531144	130184558	/nfs/dbraw/zinc/18/45/58/130184558.db2.gz	COPTZYDNJJYDRP-NPJIAGGLSA-N	-1	3	496.632	6.837	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102536436	130191517	/nfs/dbraw/zinc/19/15/17/130191517.db2.gz	MKDPWYSTPVQHJI-BUANBSPESA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102536436	130191518	/nfs/dbraw/zinc/19/15/18/130191518.db2.gz	MKDPWYSTPVQHJI-BUANBSPESA-N	-1	3	470.550	5.548	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1	ZINC000102537952	130192818	/nfs/dbraw/zinc/19/28/18/130192818.db2.gz	MLWVGOZNWJYTHQ-HFEWCJDKSA-N	-1	3	485.521	5.448	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccccc3F)nc2c(C)c1	ZINC000102540098	130195095	/nfs/dbraw/zinc/19/50/95/130195095.db2.gz	HVUKGQYEWQPYPR-IAMBOQNYSA-N	-1	3	458.514	5.679	50	30		JKEAHM
COc1ccccc1[C@@H]1C(=C([O-])c2ccc(Cl)cc2)C(=O)C(=O)N1c1nc2ccc(C)cc2s1	ZINC000102540206	130195237	/nfs/dbraw/zinc/19/52/37/130195237.db2.gz	BQKAOFANONVUCD-HOGKFDNTSA-N	-1	3	490.968	5.893	50	30		JKEAHM
Cc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102552940	130204697	/nfs/dbraw/zinc/20/46/97/130204697.db2.gz	SOQNORTZPIAHOJ-SBXHHDGASA-N	-1	3	498.560	5.311	50	30		JKEAHM
CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102559771	130209011	/nfs/dbraw/zinc/20/90/11/130209011.db2.gz	IEYGYPNVEVLAOL-SBXHHDGASA-N	-1	3	460.530	5.522	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)c(OC)c1	ZINC000102580841	130216401	/nfs/dbraw/zinc/21/64/01/130216401.db2.gz	NQQHDIHICALJCZ-AYWGPLOBSA-N	-1	3	463.917	5.292	50	30		JKEAHM
COc1ccccc1[C@H]1C(=C([O-])c2ccccc2)C(=O)C(=O)N1c1cccc(Br)c1	ZINC000102582158	130216932	/nfs/dbraw/zinc/21/69/32/130216932.db2.gz	ZZNYISAFXYSDFP-MRJHHRETSA-N	-1	3	464.315	5.084	50	30		JKEAHM
CCOc1ccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000102653572	130232889	/nfs/dbraw/zinc/23/28/89/130232889.db2.gz	ROOOSQWMNHPJCA-MEBZQPDRSA-N	-1	3	455.510	5.276	50	30		JKEAHM
CCCOc1cccc([C@@H]2C(=C([O-])c3ccc4ccccc4c3)C(=O)C(=O)N2c2cc(C)on2)c1	ZINC000102689863	130237844	/nfs/dbraw/zinc/23/78/44/130237844.db2.gz	TYOVMIHDFASCEZ-NPJIAGGLSA-N	-1	3	468.509	5.551	50	30		JKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000102694591	130240929	/nfs/dbraw/zinc/24/09/29/130240929.db2.gz	DDWJGMCCHVDUMW-JBCNATCCSA-N	-1	3	450.922	5.560	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C	ZINC000102695792	130242418	/nfs/dbraw/zinc/24/24/18/130242418.db2.gz	JQIYBVMWJYBVSF-ZHHPLPSFSA-N	-1	3	460.530	5.224	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C	ZINC000102695792	130242422	/nfs/dbraw/zinc/24/24/22/130242422.db2.gz	JQIYBVMWJYBVSF-ZHHPLPSFSA-N	-1	3	460.530	5.224	50	30		JKEAHM
CCOc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1	ZINC000102704056	130249065	/nfs/dbraw/zinc/24/90/65/130249065.db2.gz	VNTWEAGBXTYKSR-MOBKVPTQSA-N	-1	3	490.606	5.945	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102704088	130249180	/nfs/dbraw/zinc/24/91/80/130249180.db2.gz	DFQPGLJOBKHXSB-ZHHPLPSFSA-N	-1	3	460.530	5.306	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C)cc2)cc1C	ZINC000102715995	130262536	/nfs/dbraw/zinc/26/25/36/130262536.db2.gz	DEDLTKZBWBOSJO-QKJBWNOYSA-N	-1	3	498.604	6.165	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C)cc2)cc1C	ZINC000102715995	130262538	/nfs/dbraw/zinc/26/25/38/130262538.db2.gz	DEDLTKZBWBOSJO-QKJBWNOYSA-N	-1	3	498.604	6.165	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3)nc2c(C)c1	ZINC000102771429	130296726	/nfs/dbraw/zinc/29/67/26/130296726.db2.gz	YTJUUZARZNWQBU-QJGMVTBJSA-N	-1	3	496.588	5.863	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3)nc2c(C)c1	ZINC000102771429	130296730	/nfs/dbraw/zinc/29/67/30/130296730.db2.gz	YTJUUZARZNWQBU-QJGMVTBJSA-N	-1	3	496.588	5.863	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccs3)sc2c1	ZINC000102771536	130296812	/nfs/dbraw/zinc/29/68/12/130296812.db2.gz	WDXQDGJEOQSLJQ-CTVAMRBASA-N	-1	3	488.590	5.616	50	30		JKEAHM
C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccccc3)ccc2O1	ZINC000102771416	130296848	/nfs/dbraw/zinc/29/68/48/130296848.db2.gz	UADQZKWQXMXLLK-CHDCXXRXSA-N	-1	3	486.524	5.385	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccnc3)nc2c(C)c1	ZINC000102771500	130296860	/nfs/dbraw/zinc/29/68/60/130296860.db2.gz	QYCZYEHRMLCEJE-KOMODOAFSA-N	-1	3	497.576	5.258	50	30		JKEAHM
COc1cccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000102865193	130337760	/nfs/dbraw/zinc/33/77/60/130337760.db2.gz	SGLIYAPLBMRWQQ-NHFXJNLRSA-N	-1	3	462.552	5.301	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102865668	130338306	/nfs/dbraw/zinc/33/83/06/130338306.db2.gz	HBOPLODVHPWNQJ-OBVHCKHUSA-N	-1	3	476.579	5.610	50	30		JKEAHM
COc1ccccc1[C@H]1C(=C([O-])c2ccc(C)cc2)C(=O)C(=O)N1c1nc2c(cc(C)cc2C)s1	ZINC000102865833	130338829	/nfs/dbraw/zinc/33/88/29/130338829.db2.gz	NXXJRVZMCITUFM-UVDRRRQGSA-N	-1	3	484.577	5.856	50	30		JKEAHM
COc1ccccc1[C@H]1C(C(=O)c2ccc(C)cc2)=C([O-])C(=O)N1c1nc2c(cc(C)cc2C)s1	ZINC000102865833	130338834	/nfs/dbraw/zinc/33/88/34/130338834.db2.gz	NXXJRVZMCITUFM-UVDRRRQGSA-N	-1	3	484.577	5.856	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C(C)C)cc2)o1	ZINC000102872148	130343762	/nfs/dbraw/zinc/34/37/62/130343762.db2.gz	AGBHZMMEIICJSW-UVDRRRQGSA-N	-1	3	486.593	6.564	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(F)cc3)nc2c(C)c1	ZINC000102875533	130347708	/nfs/dbraw/zinc/34/77/08/130347708.db2.gz	XJUWHFZECYYGEB-IAMBOQNYSA-N	-1	3	458.514	5.679	50	30		JKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)sc1C	ZINC000102877315	130350309	/nfs/dbraw/zinc/35/03/09/130350309.db2.gz	CNZQTYWDFUMOLZ-JBCNATCCSA-N	-1	3	464.562	5.823	50	30		JKEAHM
CC(C)(C)c1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000102877229	130350403	/nfs/dbraw/zinc/35/04/03/130350403.db2.gz	PXUAHBBIWOIATJ-ZHHPLPSFSA-N	-1	3	486.568	6.359	50	30		JKEAHM
Cc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102878048	130351608	/nfs/dbraw/zinc/35/16/08/130351608.db2.gz	NCJWQXWGLYPQIY-BUANBSPESA-N	-1	3	488.996	6.501	50	30		JKEAHM
Cc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102878044	130351761	/nfs/dbraw/zinc/35/17/61/130351761.db2.gz	NCJWQXWGLYPQIY-COUQNMRISA-N	-1	3	488.996	6.501	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000102880800	130356858	/nfs/dbraw/zinc/35/68/58/130356858.db2.gz	ZBUJNNMUPNNJGB-AYWGPLOBSA-N	-1	3	486.549	5.248	50	30		JKEAHM
CCCOc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102881778	130358666	/nfs/dbraw/zinc/35/86/66/130358666.db2.gz	DEMSPFBIDLRWEZ-HOGKFDNTSA-N	-1	3	490.606	6.081	50	30		JKEAHM
Cc1ccc([C@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nccs2)cc1	ZINC000102889695	130370944	/nfs/dbraw/zinc/37/09/44/130370944.db2.gz	FEGZHZRNYXXOLF-IUKMQXEJSA-N	-1	3	496.588	5.965	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccs3)sc2c1	ZINC000102890992	130372195	/nfs/dbraw/zinc/37/21/95/130372195.db2.gz	VAXXTFITBLZGBC-MRJHHRETSA-N	-1	3	490.562	5.064	50	30		JKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccc(OCc3ccccc3)cc2)no1	ZINC000102891795	130373409	/nfs/dbraw/zinc/37/34/09/130373409.db2.gz	LNLOEMNDZMSPCM-CJJGVWJISA-N	-1	3	480.520	5.497	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccccc3)sc2c1	ZINC000102897386	130379677	/nfs/dbraw/zinc/37/96/77/130379677.db2.gz	TUQMNKGVQIPMTN-AIKCTZLLSA-N	-1	3	498.560	5.255	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3)sc2c1	ZINC000102897393	130379881	/nfs/dbraw/zinc/37/98/81/130379881.db2.gz	TUQMNKGVQIPMTN-HALAOQOWSA-N	-1	3	498.560	5.255	50	30		JKEAHM
COc1ccccc1[C@H]1C(=C([O-])c2ccccc2)C(=O)C(=O)N1c1nc2c(cc(C)cc2C)s1	ZINC000102924755	130394253	/nfs/dbraw/zinc/39/42/53/130394253.db2.gz	RFVZXECDESZGRG-BUANBSPESA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1c1nc2c(cc(C)cc2C)s1	ZINC000102924755	130394259	/nfs/dbraw/zinc/39/42/59/130394259.db2.gz	RFVZXECDESZGRG-BUANBSPESA-N	-1	3	470.550	5.548	50	30		JKEAHM
CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102925165	130395488	/nfs/dbraw/zinc/39/54/88/130395488.db2.gz	AHLKQCIRKFIPCD-IUKMQXEJSA-N	-1	3	470.569	5.794	50	30		JKEAHM
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102925165	130395491	/nfs/dbraw/zinc/39/54/91/130395491.db2.gz	AHLKQCIRKFIPCD-IUKMQXEJSA-N	-1	3	470.569	5.794	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102925450	130396016	/nfs/dbraw/zinc/39/60/16/130396016.db2.gz	UGCUQDFAOPVILW-ZHHPLPSFSA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102925450	130396021	/nfs/dbraw/zinc/39/60/21/130396021.db2.gz	UGCUQDFAOPVILW-ZHHPLPSFSA-N	-1	3	470.550	5.548	50	30		JKEAHM
C=CCC[C@@H](O)CN(Cc1nc(=O)c2c(-c3cccc(OC)c3)csc2[n-]1)C1CCCCC1	ZINC000036207909	518718117	/nfs/dbraw/zinc/71/81/17/518718117.db2.gz	TVCZYTYWUCGAFP-HXUWFJFHSA-N	-1	3	467.635	5.122	50	30		JKEAHM
CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4cc(I)ccc4[O-])ccc3o2)cc1	ZINC000003087327	519008598	/nfs/dbraw/zinc/00/85/98/519008598.db2.gz	MLOWHNHJFISXKH-VULFUBBASA-N	-1	3	496.348	6.853	50	30		JKEAHM
C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000009274388	519024036	/nfs/dbraw/zinc/02/40/36/519024036.db2.gz	UMZQFVJGUZDNOM-RUZDIDTESA-N	-1	3	468.553	5.727	50	30		JKEAHM
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000009274388	519024042	/nfs/dbraw/zinc/02/40/42/519024042.db2.gz	UMZQFVJGUZDNOM-RUZDIDTESA-N	-1	3	468.553	5.727	50	30		JKEAHM
C=CCSc1nnc2c(n1)O[C@@H](c1cc(Br)c([O-])c(OCC)c1)Nc1ccccc1-2	ZINC000003640813	519093379	/nfs/dbraw/zinc/09/33/79/519093379.db2.gz	LEAADFKOZYQBMI-IBGZPJMESA-N	-1	3	487.379	5.187	50	30		JKEAHM
CC(C)CCOc1ccc(/C=N/c2cc(C34CC5(C)CC(C)(CC(C)(C5)C3)C4)ccc2[O-])cc1	ZINC000027469890	519673186	/nfs/dbraw/zinc/67/31/86/519673186.db2.gz	CWZHQBBPZGNAJO-VWJSQJICSA-N	-1	3	459.674	8.206	50	30		JKEAHM
CCCC/N=C(/c1sc2nc(C)cc(COC)c2c1[N-]C(=O)c1ccco1)c1ccccc1	ZINC000012419344	519886863	/nfs/dbraw/zinc/88/68/63/519886863.db2.gz	WFRCLYLZESZLCQ-HPNDGRJYSA-N	-1	3	461.587	6.234	50	30		JKEAHM
CCCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)[N-]/C(=N\N=C(/C)c3cccs3)S2)cc1	ZINC000009215673	520104852	/nfs/dbraw/zinc/10/48/52/520104852.db2.gz	OAUZLVPBLLINTE-NTRYICDMSA-N	-1	3	472.636	5.048	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@H]2c1ccc(-c2ccccc2)cc1	ZINC000012346967	520257234	/nfs/dbraw/zinc/25/72/34/520257234.db2.gz	KHHYKWKANKFXGF-VWLOTQADSA-N	-1	3	461.565	6.033	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccc(-c2ccccc2)cc1	ZINC000012346957	520258264	/nfs/dbraw/zinc/25/82/64/520258264.db2.gz	KHHYKWKANKFXGF-RUZDIDTESA-N	-1	3	461.565	6.033	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccc(OCc2ccccc2)cc1	ZINC000012346875	520258598	/nfs/dbraw/zinc/25/85/98/520258598.db2.gz	WOWKMVNIAUZKNE-AREMUKBSSA-N	-1	3	491.591	5.945	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@H]2c1cccc(Br)c1	ZINC000012347252	520259661	/nfs/dbraw/zinc/25/96/61/520259661.db2.gz	AUDLZIWNUGXDTJ-IBGZPJMESA-N	-1	3	464.363	5.129	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@H]2c1ccc(C(F)(F)F)cc1	ZINC000018266613	520266985	/nfs/dbraw/zinc/26/69/85/520266985.db2.gz	WVNJZYYRAQNACD-IBGZPJMESA-N	-1	3	453.464	5.797	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@H]2c1ccc(Br)cc1	ZINC000012346817	520267112	/nfs/dbraw/zinc/26/71/12/520267112.db2.gz	QMHMHUVSSLINBV-IBGZPJMESA-N	-1	3	464.363	5.541	50	30		JKEAHM
CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000009123660	520331216	/nfs/dbraw/zinc/33/12/16/520331216.db2.gz	KJSBMRIMFLYZGP-VWLOTQADSA-N	-1	3	470.569	5.951	50	30		JKEAHM
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000009123660	520331220	/nfs/dbraw/zinc/33/12/20/520331220.db2.gz	KJSBMRIMFLYZGP-VWLOTQADSA-N	-1	3	470.569	5.951	50	30		JKEAHM
CCCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000016729418	520862943	/nfs/dbraw/zinc/86/29/43/520862943.db2.gz	DWFJWITYNXJKEN-QHCPKHFHSA-N	-1	3	491.613	5.932	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000009271377	520880566	/nfs/dbraw/zinc/88/05/66/520880566.db2.gz	PZVIHNSGJFJTBR-HSZRJFAPSA-N	-1	3	476.598	6.065	50	30		JKEAHM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000009271377	520880572	/nfs/dbraw/zinc/88/05/72/520880572.db2.gz	PZVIHNSGJFJTBR-HSZRJFAPSA-N	-1	3	476.598	6.065	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C(C)C)s3)[C@H]2c2ccc(CC)cc2)cc1	ZINC000016731051	520883006	/nfs/dbraw/zinc/88/30/06/520883006.db2.gz	WCQYTBHBBIGJOF-NRFANRHFSA-N	-1	3	477.586	5.406	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2)cc1	ZINC000009275480	520884193	/nfs/dbraw/zinc/88/41/93/520884193.db2.gz	UGTWESMJLFKQCE-XMMPIXPASA-N	-1	3	484.577	6.095	50	30		JKEAHM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2)cc1	ZINC000009275480	520884201	/nfs/dbraw/zinc/88/42/01/520884201.db2.gz	UGTWESMJLFKQCE-XMMPIXPASA-N	-1	3	484.577	6.095	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000009463515	520884289	/nfs/dbraw/zinc/88/42/89/520884289.db2.gz	BKNLIHQWHKFAGW-VWLOTQADSA-N	-1	3	498.604	6.349	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccccc2)cc1	ZINC000009043959	520884544	/nfs/dbraw/zinc/88/45/44/520884544.db2.gz	ZWCVJJDPIYRNLV-QHCPKHFHSA-N	-1	3	486.549	5.487	50	30		JKEAHM
CCCCOc1cccc(C=NN=c2nc(NN=Cc3cccc(OCCCC)c3)c(C)n[n-]2)c1	ZINC000009970909	520898957	/nfs/dbraw/zinc/89/89/57/520898957.db2.gz	PMWYFTMTWJXTCR-UKOHILRMSA-N	-1	3	475.597	5.430	50	30		JKEAHM
CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nccs2)c1	ZINC000009293034	520909670	/nfs/dbraw/zinc/90/96/70/520909670.db2.gz	RERIZLTVWAMVMN-QMHKHESXSA-N	-1	3	490.581	5.428	50	30		JKEAHM
CCN(CC)c1ccc([C@@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000012347065	520921642	/nfs/dbraw/zinc/92/16/42/520921642.db2.gz	RVYHYFXPSWUCJM-QHCPKHFHSA-N	-1	3	456.590	5.212	50	30		JKEAHM
CCOc1ccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000009124321	521033577	/nfs/dbraw/zinc/03/35/77/521033577.db2.gz	LYBAJULDZWAHPR-QRNXVTGESA-N	-1	3	485.536	5.285	50	30		JKEAHM
CCOc1ccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000009124506	521034092	/nfs/dbraw/zinc/03/40/92/521034092.db2.gz	CALAKKSIWAWSCG-KHCGQWJWSA-N	-1	3	455.510	5.276	50	30		JKEAHM
CCOc1ccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000009124507	521035666	/nfs/dbraw/zinc/03/56/66/521035666.db2.gz	CALAKKSIWAWSCG-AMYNTDENSA-N	-1	3	455.510	5.276	50	30		JKEAHM
CCOc1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009186453	521264897	/nfs/dbraw/zinc/26/48/97/521264897.db2.gz	DCLDJIAFRASCHS-VWLOTQADSA-N	-1	3	498.604	6.403	50	30		JKEAHM
CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009186453	521264904	/nfs/dbraw/zinc/26/49/04/521264904.db2.gz	DCLDJIAFRASCHS-VWLOTQADSA-N	-1	3	498.604	6.403	50	30		JKEAHM
CCOc1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000009008575	521265827	/nfs/dbraw/zinc/26/58/27/521265827.db2.gz	NLGBGUMHFMLOIQ-DEOSSOPVSA-N	-1	3	484.577	6.095	50	30		JKEAHM
CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000009008575	521265833	/nfs/dbraw/zinc/26/58/33/521265833.db2.gz	NLGBGUMHFMLOIQ-DEOSSOPVSA-N	-1	3	484.577	6.095	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(OC)cc3)sc2c1	ZINC000009271143	521300778	/nfs/dbraw/zinc/30/07/78/521300778.db2.gz	ZHOYOLQPWSMHLD-HSZRJFAPSA-N	-1	3	486.549	5.487	50	30		JKEAHM
COc1cc(/C=C2\S/C(=N/c3ccc(C)c(Cl)c3)NC2=O)cc(Br)c1[O-]	ZINC000016267492	521968099	/nfs/dbraw/zinc/96/80/99/521968099.db2.gz	NKEFHKFVBWHYBE-CHHVJCJISA-N	-1	3	453.745	5.017	50	30		JKEAHM
COc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(I)c1[O-]	ZINC000020615366	521997813	/nfs/dbraw/zinc/99/78/13/521997813.db2.gz	SEDSTVGVEUSZLM-VULFUBBASA-N	-1	3	487.381	6.224	50	30		JKEAHM
CN(C)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000009359482	522218462	/nfs/dbraw/zinc/21/84/62/522218462.db2.gz	UKUUCHZTBZNMEP-JOCHJYFZSA-N	-1	3	477.358	5.298	50	30		JKEAHM
CN(C)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000009359482	522218471	/nfs/dbraw/zinc/21/84/71/522218471.db2.gz	UKUUCHZTBZNMEP-JOCHJYFZSA-N	-1	3	477.358	5.298	50	30		JKEAHM
COc1cc([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CCC3)cc(Br)c1[O-]	ZINC000016393210	522933681	/nfs/dbraw/zinc/93/36/81/522933681.db2.gz	NCILLRZRMPNWCF-OAQYLSRUSA-N	-1	3	450.332	5.881	50	30		JKEAHM
COc1cc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1[O-]	ZINC000009313218	522963169	/nfs/dbraw/zinc/96/31/69/522963169.db2.gz	FKGDPRWAJKBPNN-JOCHJYFZSA-N	-1	3	471.395	6.002	50	30		JKEAHM
COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc(Cl)c1[O-]	ZINC000000720487	522965960	/nfs/dbraw/zinc/96/59/60/522965960.db2.gz	ZPTAUJDATJAHKY-DLUDVSRJSA-N	-1	3	481.379	6.687	50	30		JKEAHM
COc1cc([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CCC3)cc(Br)c1[O-]	ZINC000016393207	522967891	/nfs/dbraw/zinc/96/78/91/522967891.db2.gz	NCILLRZRMPNWCF-NRFANRHFSA-N	-1	3	450.332	5.881	50	30		JKEAHM
COc1ccc(Br)c(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)c1[O-]	ZINC000016348762	523479092	/nfs/dbraw/zinc/47/90/92/523479092.db2.gz	CRMMTCNCRHOWRJ-WYMPLXKRSA-N	-1	3	453.361	6.499	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000009339449	523569112	/nfs/dbraw/zinc/56/91/12/523569112.db2.gz	RGHMHCLORAXQGZ-JOCHJYFZSA-N	-1	3	476.598	5.849	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000009339449	523569118	/nfs/dbraw/zinc/56/91/18/523569118.db2.gz	RGHMHCLORAXQGZ-JOCHJYFZSA-N	-1	3	476.598	5.849	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000009043995	523569875	/nfs/dbraw/zinc/56/98/75/523569875.db2.gz	DOIWUPLHJZDLKL-QHCPKHFHSA-N	-1	3	486.549	5.405	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1Cl	ZINC000009471316	523569936	/nfs/dbraw/zinc/56/99/36/523569936.db2.gz	NYOJRZMDBJEYKG-QHCPKHFHSA-N	-1	3	476.960	5.824	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000009066004	523570263	/nfs/dbraw/zinc/57/02/63/523570263.db2.gz	NKZKNXDHACQPRX-JOCHJYFZSA-N	-1	3	490.968	6.050	50	30		JKEAHM
COc1cccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1	ZINC000009065143	524109586	/nfs/dbraw/zinc/10/95/86/524109586.db2.gz	VONNEBMXULZZCQ-JOCHJYFZSA-N	-1	3	474.513	5.535	50	30		JKEAHM
COc1cccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000009233953	524112487	/nfs/dbraw/zinc/11/24/87/524112487.db2.gz	ZDLXRFSJYQGYBC-HXUWFJFHSA-N	-1	3	462.552	5.458	50	30		JKEAHM
COc1cccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000009334038	524112928	/nfs/dbraw/zinc/11/29/28/524112928.db2.gz	NRRQQQSWZWFHQP-JOCHJYFZSA-N	-1	3	474.513	5.535	50	30		JKEAHM
COc1cccc([C@H]2C(=C([O-])c3ccncc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1	ZINC000016736608	524173693	/nfs/dbraw/zinc/17/36/93/524173693.db2.gz	BESAIIZVOOOXJN-QFIPXVFZSA-N	-1	3	471.538	5.100	50	30		JKEAHM
COc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000009334029	524385668	/nfs/dbraw/zinc/38/56/68/524385668.db2.gz	TXBYZDKLEHPSQV-NRFANRHFSA-N	-1	3	464.315	5.241	50	30		JKEAHM
Cc1cc(C)nc(N=C([N-]C(=O)Nc2ccc(Cl)c(Cl)c2)NCCc2c[nH]c3ccccc23)n1	ZINC000015978598	524576841	/nfs/dbraw/zinc/57/68/41/524576841.db2.gz	UWKOCCKCVRXQLY-UHFFFAOYSA-N	-1	3	496.402	5.714	50	30		JKEAHM
Cc1cc(C)nc(N=C([N-]C(=O)Nc2ccccc2)NCCc2c[nH]c3ccc(Cl)cc23)n1	ZINC000014671552	524577910	/nfs/dbraw/zinc/57/79/10/524577910.db2.gz	UUGPLXQCGDTUNM-UHFFFAOYSA-N	-1	3	461.957	5.060	50	30		JKEAHM
Cc1cc(C)nc(N=C([N-]C(=O)Nc2ccc(Cl)cc2)NCCc2c[nH]c3ccccc23)n1	ZINC000015979208	524578228	/nfs/dbraw/zinc/57/82/28/524578228.db2.gz	JTTYDMNYKUQWAL-UHFFFAOYSA-N	-1	3	461.957	5.060	50	30		JKEAHM
COc1ccccc1[C@@H]1C(=C([O-])c2ccc(F)cc2)C(=O)C(=O)N1c1nc2ccc(C)cc2s1	ZINC000009008449	524747499	/nfs/dbraw/zinc/74/74/99/524747499.db2.gz	OKGOUJRLVLCCCO-JOCHJYFZSA-N	-1	3	474.513	5.535	50	30		JKEAHM
COc1ccccc1[C@H]1C(=C([O-])c2ccc(Cl)cc2)C(=O)C(=O)N1c1nc2ccc(C)cc2s1	ZINC000009186614	524801598	/nfs/dbraw/zinc/80/15/98/524801598.db2.gz	TVDAMGVGORVIFT-QFIPXVFZSA-N	-1	3	490.968	6.050	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)cc1	ZINC000009272094	525219044	/nfs/dbraw/zinc/21/90/44/525219044.db2.gz	NGNWWKNVNQPZSH-JOCHJYFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccccc3s2)cc1	ZINC000009272094	525219052	/nfs/dbraw/zinc/21/90/52/525219052.db2.gz	NGNWWKNVNQPZSH-JOCHJYFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cccc(Br)c2)cc1	ZINC000009331839	525223616	/nfs/dbraw/zinc/22/36/16/525223616.db2.gz	FGSJOUKKPPUKDK-OAQYLSRUSA-N	-1	3	464.315	5.241	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)c(OC)c1	ZINC000009272174	525223817	/nfs/dbraw/zinc/22/38/17/525223817.db2.gz	PFOYHQRAXCLPTH-HSZRJFAPSA-N	-1	3	463.917	5.449	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cccc(Br)c2)cc1OC	ZINC000009110839	525225003	/nfs/dbraw/zinc/22/50/03/525225003.db2.gz	ZIEWIQKMVWSAOW-JOCHJYFZSA-N	-1	3	494.341	5.249	50	30		JKEAHM
COc1ccc([C@@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1	ZINC000018197080	525280101	/nfs/dbraw/zinc/28/01/01/525280101.db2.gz	UOMPQZZHXACFNH-SBUREZEXSA-N	-1	3	469.566	5.194	50	30		JKEAHM
Cc1cc([O-])c(/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)c(C)c1Cl	ZINC000003084809	525307330	/nfs/dbraw/zinc/30/73/30/525307330.db2.gz	DNEYJTPENNYEOS-OPEKNORGSA-N	-1	3	455.739	6.984	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(N(C)C)cc2)cc1	ZINC000009358642	525387849	/nfs/dbraw/zinc/38/78/49/525387849.db2.gz	SAZDFAORPIRCBE-QHCPKHFHSA-N	-1	3	462.933	5.198	50	30		JKEAHM
COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(N(C)C)cc2)cc1	ZINC000009358642	525387855	/nfs/dbraw/zinc/38/78/55/525387855.db2.gz	SAZDFAORPIRCBE-QHCPKHFHSA-N	-1	3	462.933	5.198	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000009173398	525388816	/nfs/dbraw/zinc/38/88/16/525388816.db2.gz	DDGZEDXMRBPVFN-QFIPXVFZSA-N	-1	3	474.513	5.535	50	30		JKEAHM
C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccccc3)ccc2O1	ZINC000009357555	525518628	/nfs/dbraw/zinc/51/86/28/525518628.db2.gz	JZQVCGZPFZSDQL-QKFKETGDSA-N	-1	3	486.524	5.542	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000009271529	525668654	/nfs/dbraw/zinc/66/86/54/525668654.db2.gz	JTMXXNNZMFDGAQ-DEOSSOPVSA-N	-1	3	498.604	6.385	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000009271529	525668663	/nfs/dbraw/zinc/66/86/63/525668663.db2.gz	JTMXXNNZMFDGAQ-DEOSSOPVSA-N	-1	3	498.604	6.385	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccccc3OC)sc2c1	ZINC000009066904	525668766	/nfs/dbraw/zinc/66/87/66/525668766.db2.gz	XXLTUAOBZDKHKL-QFIPXVFZSA-N	-1	3	472.522	5.096	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000009301965	525670562	/nfs/dbraw/zinc/67/05/62/525670562.db2.gz	QANHWTDFNYQYNY-XMMPIXPASA-N	-1	3	484.577	6.211	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000009301965	525670572	/nfs/dbraw/zinc/67/05/72/525670572.db2.gz	QANHWTDFNYQYNY-XMMPIXPASA-N	-1	3	484.577	6.211	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccc(C)cc3)sc2c1	ZINC000009270852	525670949	/nfs/dbraw/zinc/67/09/49/525670949.db2.gz	PEFLMXQCOAZYKR-QHCPKHFHSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3cccc(OC)c3)sc2c1	ZINC000009008759	525671055	/nfs/dbraw/zinc/67/10/55/525671055.db2.gz	NSEDBIDMSPMXCC-QHCPKHFHSA-N	-1	3	486.549	5.405	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccnc3)nc2c(C)c1	ZINC000009350640	525698882	/nfs/dbraw/zinc/69/88/82/525698882.db2.gz	GSMQGGHHKSHJQW-FYSMJZIKSA-N	-1	3	497.576	5.414	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2)c1	ZINC000008739495	525786053	/nfs/dbraw/zinc/78/60/53/525786053.db2.gz	VOWDUASOWLPYOQ-JOCHJYFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2)c1	ZINC000008739495	525786057	/nfs/dbraw/zinc/78/60/57/525786057.db2.gz	VOWDUASOWLPYOQ-JOCHJYFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
Cc1ccc(/N=C2\S/C(=C\c3cc(Cl)ccc3[O-])C(=O)N2c2ccc(C)c(C)c2)cc1C	ZINC000015018437	525973549	/nfs/dbraw/zinc/97/35/49/525973549.db2.gz	XXMMJLAYVRWPAQ-VRANQKIWSA-N	-1	3	463.002	7.088	50	30		JKEAHM
Cc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000009357267	525984652	/nfs/dbraw/zinc/98/46/52/525984652.db2.gz	ZRXXWNYIYFXEEE-NSYGIPOTSA-N	-1	3	496.588	6.019	50	30		JKEAHM
Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000009357267	525984660	/nfs/dbraw/zinc/98/46/60/525984660.db2.gz	ZRXXWNYIYFXEEE-NSYGIPOTSA-N	-1	3	496.588	6.019	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000009272742	526028511	/nfs/dbraw/zinc/02/85/11/526028511.db2.gz	PDVSCKUFODYRJR-QFIPXVFZSA-N	-1	3	462.343	5.849	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000009272742	526028517	/nfs/dbraw/zinc/02/85/17/526028517.db2.gz	PDVSCKUFODYRJR-QFIPXVFZSA-N	-1	3	462.343	5.849	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000009379955	526030977	/nfs/dbraw/zinc/03/09/77/526030977.db2.gz	SAWIKWYFPUVLCW-NRFANRHFSA-N	-1	3	460.942	6.041	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2F)cc1	ZINC000009233840	526031552	/nfs/dbraw/zinc/03/15/52/526031552.db2.gz	QPKZCTCMUOZOKV-JOCHJYFZSA-N	-1	3	458.514	5.835	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000009275689	526252326	/nfs/dbraw/zinc/25/23/26/526252326.db2.gz	FVSFMAZXOIGTEW-NRFANRHFSA-N	-1	3	471.494	5.296	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(O)cc3)sc2c1	ZINC000009292117	526252423	/nfs/dbraw/zinc/25/24/23/526252423.db2.gz	ZVHKFCCRDABMLW-OWJWWREXSA-N	-1	3	498.560	5.417	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3cccs3)sc2c1	ZINC000009357746	526252624	/nfs/dbraw/zinc/25/26/24/526252624.db2.gz	CIUBYOLJYKSGOB-JLCFBVMHSA-N	-1	3	488.590	5.773	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3)sc2c1	ZINC000009374332	526252684	/nfs/dbraw/zinc/25/26/84/526252684.db2.gz	KDLVOPOVKJMMPZ-UPCLLVRISA-N	-1	3	482.561	5.711	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccccc3)sc2c1	ZINC000009374332	526252685	/nfs/dbraw/zinc/25/26/85/526252685.db2.gz	KDLVOPOVKJMMPZ-UPCLLVRISA-N	-1	3	482.561	5.711	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccc(O)cc3)sc2c1	ZINC000009292118	526252777	/nfs/dbraw/zinc/25/27/77/526252777.db2.gz	ZVHKFCCRDABMLW-OYLFLEFRSA-N	-1	3	498.560	5.417	50	30		JKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)sc1C	ZINC000009240383	526961635	/nfs/dbraw/zinc/96/16/35/526961635.db2.gz	BJXFOFBKBNRQEP-NRFANRHFSA-N	-1	3	464.562	5.979	50	30		JKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)sc1C	ZINC000009240380	526961764	/nfs/dbraw/zinc/96/17/64/526961764.db2.gz	BJXFOFBKBNRQEP-OAQYLSRUSA-N	-1	3	464.562	5.979	50	30		JKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2ccc(C(C)(C)C)cc2)sc1C	ZINC000009270678	526961789	/nfs/dbraw/zinc/96/17/89/526961789.db2.gz	MHKPRDRTDMKBED-IBGZPJMESA-N	-1	3	452.601	5.902	50	30		JKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2ccc(C(C)C)cc2)sc1C	ZINC000009271568	526962191	/nfs/dbraw/zinc/96/21/91/526962191.db2.gz	FZSVXXLKFMESKV-OAQYLSRUSA-N	-1	3	450.535	5.805	50	30		JKEAHM
O=C1[C@@H](Cc2cc(Cl)ccc2Cl)S/C(=N/N=C/c2ccccc2[O-])N1Cc1ccco1	ZINC000016771203	527103902	/nfs/dbraw/zinc/10/39/02/527103902.db2.gz	JYGCNCZIOGAVQM-QNMAPEEUSA-N	-1	3	474.369	5.369	50	30		JKEAHM
O=S(=O)([N-]/N=C/c1ccc(Cl)cc1)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1	ZINC000003128123	527203117	/nfs/dbraw/zinc/20/31/17/527203117.db2.gz	HGSHMUAECVJGGR-YCPBAFNGSA-N	-1	3	494.347	5.372	50	30		JKEAHM
O=C(C=Cc1ccccc1)C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H]1c1cccnc1	ZINC000009969630	527631303	/nfs/dbraw/zinc/63/13/03/527631303.db2.gz	DGPAJDRNUGBVKK-YVWYTEFXSA-N	-1	3	473.941	5.527	50	30		JKEAHM
O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H](c2cccnc2)C1=C([O-])C=Cc1ccccc1	ZINC000009969630	527631307	/nfs/dbraw/zinc/63/13/07/527631307.db2.gz	DGPAJDRNUGBVKK-YVWYTEFXSA-N	-1	3	473.941	5.527	50	30		JKEAHM
O=C(C=Cc1ccccc1)C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1cccnc1	ZINC000034861898	527658213	/nfs/dbraw/zinc/65/82/13/527658213.db2.gz	DGPAJDRNUGBVKK-GIVJRHHMSA-N	-1	3	473.941	5.527	50	30		JKEAHM
O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H](c2cccnc2)C1=C([O-])C=Cc1ccccc1	ZINC000034861898	527658215	/nfs/dbraw/zinc/65/82/15/527658215.db2.gz	DGPAJDRNUGBVKK-GIVJRHHMSA-N	-1	3	473.941	5.527	50	30		JKEAHM
CC(C)Oc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102368667	534968039	/nfs/dbraw/zinc/96/80/39/534968039.db2.gz	YXQPCRDTJWLCKS-IUKMQXEJSA-N	-1	3	456.542	5.619	50	30		JKEAHM
CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102368667	534968044	/nfs/dbraw/zinc/96/80/44/534968044.db2.gz	YXQPCRDTJWLCKS-IUKMQXEJSA-N	-1	3	456.542	5.619	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(OC)cc3)sc2c1	ZINC000102509712	535443019	/nfs/dbraw/zinc/44/30/19/535443019.db2.gz	VPVKPUJSIDCGGP-ZHHPLPSFSA-N	-1	3	486.549	5.330	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(OC)cc3)sc2c1	ZINC000102509722	535443128	/nfs/dbraw/zinc/44/31/28/535443128.db2.gz	VPVKPUJSIDCGGP-AYWGPLOBSA-N	-1	3	486.549	5.330	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3cccc(OC)c3)sc2c1	ZINC000102692450	535827883	/nfs/dbraw/zinc/82/78/83/535827883.db2.gz	VMJNQVMOGDUMAX-SBXHHDGASA-N	-1	3	484.577	5.802	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc(OC)c3)sc2c1	ZINC000102692450	535827889	/nfs/dbraw/zinc/82/78/89/535827889.db2.gz	VMJNQVMOGDUMAX-SBXHHDGASA-N	-1	3	484.577	5.802	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3ccc(C)cc3)sc2c1	ZINC000102691154	535828393	/nfs/dbraw/zinc/82/83/93/535828393.db2.gz	BVUZZZNRBMFUPB-HOGKFDNTSA-N	-1	3	458.539	5.695	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccccc3OC)sc2c1	ZINC000102701692	535829070	/nfs/dbraw/zinc/82/90/70/535829070.db2.gz	ODBMHAHXNRMVFV-NXLSWJSLSA-N	-1	3	484.577	5.802	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccccc3OC)sc2c1	ZINC000102701692	535829074	/nfs/dbraw/zinc/82/90/74/535829074.db2.gz	ODBMHAHXNRMVFV-NXLSWJSLSA-N	-1	3	484.577	5.802	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000102707102	535829303	/nfs/dbraw/zinc/82/93/03/535829303.db2.gz	UHMRMPKUZUIYLR-AYWGPLOBSA-N	-1	3	498.560	5.272	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000102707097	535829658	/nfs/dbraw/zinc/82/96/58/535829658.db2.gz	UHMRMPKUZUIYLR-ZHHPLPSFSA-N	-1	3	498.560	5.272	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3ccccc3)sc2c1	ZINC000102705008	535829929	/nfs/dbraw/zinc/82/99/29/535829929.db2.gz	DGOJHERNZXYZHZ-AYWGPLOBSA-N	-1	3	470.550	5.494	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(C)cc3)sc2c1	ZINC000102714604	535830288	/nfs/dbraw/zinc/83/02/88/535830288.db2.gz	QVLOWTQQAGZYDG-AYWGPLOBSA-N	-1	3	472.541	5.933	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccccc3OC)sc2c1	ZINC000102704201	535831601	/nfs/dbraw/zinc/83/16/01/535831601.db2.gz	QITAIJQGJFUCOZ-JBCNATCCSA-N	-1	3	476.579	5.555	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2F)cc1	ZINC000102484773	536568358	/nfs/dbraw/zinc/56/83/58/536568358.db2.gz	MMLQPVKQTFYXMB-BUANBSPESA-N	-1	3	488.540	5.687	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccs2)cc1C	ZINC000102734123	536568746	/nfs/dbraw/zinc/56/87/46/536568746.db2.gz	DGJXLSKZXSEYKX-HFEWCJDKSA-N	-1	3	490.606	5.918	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccs2)cc1C	ZINC000102734123	536568751	/nfs/dbraw/zinc/56/87/51/536568751.db2.gz	DGJXLSKZXSEYKX-HFEWCJDKSA-N	-1	3	490.606	5.918	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2OC)cc1	ZINC000102859765	536569175	/nfs/dbraw/zinc/56/91/75/536569175.db2.gz	CKXOTGWMBAIZEC-AYWGPLOBSA-N	-1	3	486.549	5.248	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccs2)cc1C	ZINC000102719382	536569728	/nfs/dbraw/zinc/56/97/28/536569728.db2.gz	WFQIYFRITDRXHF-JBCNATCCSA-N	-1	3	476.579	5.610	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(F)cc2)cc1	ZINC000102926681	536569878	/nfs/dbraw/zinc/56/98/78/536569878.db2.gz	YZYWSPAWAHYTQF-BUANBSPESA-N	-1	3	488.540	5.687	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102927210	536569892	/nfs/dbraw/zinc/56/98/92/536569892.db2.gz	TZBMFUGSWITDRK-NPJIAGGLSA-N	-1	3	498.604	6.363	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102927210	536569896	/nfs/dbraw/zinc/56/98/96/536569896.db2.gz	TZBMFUGSWITDRK-NPJIAGGLSA-N	-1	3	498.604	6.363	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Cl)cc2)c1	ZINC000102690404	537073340	/nfs/dbraw/zinc/07/33/40/537073340.db2.gz	HTJFCOWKUPDTMB-HOGKFDNTSA-N	-1	3	490.968	5.893	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2OC)c1	ZINC000102718856	537073847	/nfs/dbraw/zinc/07/38/47/537073847.db2.gz	XKAQXWHYIJBKKF-ZHHPLPSFSA-N	-1	3	486.549	5.248	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C)o2)c1	ZINC000102712119	537073877	/nfs/dbraw/zinc/07/38/77/537073877.db2.gz	UVMFWKRATGODIL-MRJHHRETSA-N	-1	3	460.511	5.141	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccs2)c1	ZINC000102701900	537073957	/nfs/dbraw/zinc/07/39/57/537073957.db2.gz	YOTPZUCKQCRLQK-YDJIHCHBSA-N	-1	3	462.552	5.301	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(OC)c2)c1	ZINC000102718525	537074072	/nfs/dbraw/zinc/07/40/72/537074072.db2.gz	HGSXLKSAALGUIY-ZHHPLPSFSA-N	-1	3	486.549	5.248	50	30		JKEAHM
CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[N-]c4sc(C)c(CC)c4C#N)cc3n2)s1	ZINC000000654322	553735083	/nfs/dbraw/zinc/73/50/83/553735083.db2.gz	VCAGHTIGOOYDKN-UHFFFAOYSA-N	-1	3	489.548	6.095	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@H]3c3cccc(O)c3)sc2c1	ZINC000000703121	553762067	/nfs/dbraw/zinc/76/20/67/553762067.db2.gz	CWGJFNJCDAHRJF-HSZRJFAPSA-N	-1	3	482.517	5.839	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@@H]3c3ccccc3)sc2c1	ZINC000000703110	553762110	/nfs/dbraw/zinc/76/21/10/553762110.db2.gz	JYAZQRDXLPHCFK-QHCPKHFHSA-N	-1	3	466.518	6.134	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@H]3c3cccs3)nc2c(C)c1	ZINC000000703127	553762425	/nfs/dbraw/zinc/76/24/25/553762425.db2.gz	IBJKWQZBLFIJGN-JOCHJYFZSA-N	-1	3	486.574	6.504	50	30		JKEAHM
CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc(Cl)c1[O-]	ZINC000000709412	553765450	/nfs/dbraw/zinc/76/54/50/553765450.db2.gz	MMMVLXUCHWWCIQ-SOKVYYICSA-N	-1	3	490.987	6.432	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(C)c(Br)c3)[C@@H]2c2ccc(O)cc2)cc1	ZINC000000719967	553771529	/nfs/dbraw/zinc/77/15/29/553771529.db2.gz	OFUZVVHKKCAHNV-JOCHJYFZSA-N	-1	3	494.341	5.255	50	30		JKEAHM
COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Br)c1[O-]	ZINC000000812941	553785383	/nfs/dbraw/zinc/78/53/83/553785383.db2.gz	BNABLINVLUQUQD-IVCQMTBJSA-N	-1	3	491.385	6.143	50	30		JKEAHM
N#Cc1c([N-]C(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)sc2c1CCCCC2	ZINC000000845361	553795977	/nfs/dbraw/zinc/79/59/77/553795977.db2.gz	DYUDAZWVAHRVEF-UHFFFAOYSA-N	-1	3	487.532	5.931	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@@H]2c1cc(Br)ccc1[O-]	ZINC000000847512	553796489	/nfs/dbraw/zinc/79/64/89/553796489.db2.gz	UDWJDMMLGXFQOR-CTNGQTDRSA-N	-1	3	450.332	5.197	50	30		JKEAHM
COc1cc(Br)c(Br)c(/C=N/c2ccc(Br)cc2)c1[O-]	ZINC000001028013	553900796	/nfs/dbraw/zinc/90/07/96/553900796.db2.gz	ATMJMKDZXWFASW-CNHKJKLMSA-N	-1	3	463.951	5.439	50	30		JKEAHM
O=C(CSc1nc2ccc(/N=C/c3cc(Br)ccc3[O-])cc2s1)Nc1ccccc1	ZINC000001057999	553902416	/nfs/dbraw/zinc/90/24/16/553902416.db2.gz	FDSLGRRNMPJGLN-WYMPLXKRSA-N	-1	3	498.427	6.246	50	30		JKEAHM
COc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1	ZINC000001066140	553903715	/nfs/dbraw/zinc/90/37/15/553903715.db2.gz	YZUUMMSVFPNMLT-QHCPKHFHSA-N	-1	3	462.933	5.198	50	30		JKEAHM
COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1	ZINC000001066140	553903717	/nfs/dbraw/zinc/90/37/17/553903717.db2.gz	YZUUMMSVFPNMLT-QHCPKHFHSA-N	-1	3	462.933	5.198	50	30		JKEAHM
COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(Cl)c1[O-]	ZINC000001077138	553904607	/nfs/dbraw/zinc/90/46/07/553904607.db2.gz	PUFAQFAATXWXFI-ZLOXQWCVSA-N	-1	3	452.963	6.095	50	30		JKEAHM
O=C1c2ccccc2C(=O)C1=C1c2ccccc2C([O-])=C1C1c2ccccc2Oc2ccccc21	ZINC000001176245	553926301	/nfs/dbraw/zinc/92/63/01/553926301.db2.gz	LPJCSVKAGSSMIL-HHHXNRCGSA-N	-1	3	454.481	6.270	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(Br)cc2)cc1OC	ZINC000001186068	553930601	/nfs/dbraw/zinc/93/06/01/553930601.db2.gz	MUKMFQBGGUXOAW-JOCHJYFZSA-N	-1	3	494.341	5.249	50	30		JKEAHM
CCOc1ccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@H]2c2ccc(OC)cc2OC)cc1	ZINC000001219483	553934310	/nfs/dbraw/zinc/93/43/10/553934310.db2.gz	FYBTVGHYPAZBBP-DSSBQZGFSA-N	-1	3	485.536	5.285	50	30		JKEAHM
COc1cccc(-c2nc3cc(/N=C/c4cc(Br)cc(OC)c4[O-])ccc3o2)c1	ZINC000001424050	553969783	/nfs/dbraw/zinc/96/97/83/553969783.db2.gz	FMKVNBOOPLWIGZ-WYMPLXKRSA-N	-1	3	453.292	5.731	50	30		JKEAHM
COc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1[O-]	ZINC000001435134	553971798	/nfs/dbraw/zinc/97/17/98/553971798.db2.gz	YBBYVKILRLJPTE-BRJLIKDPSA-N	-1	3	451.320	6.339	50	30		JKEAHM
CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Cl)c1[O-]	ZINC000001438094	553972095	/nfs/dbraw/zinc/97/20/95/553972095.db2.gz	FGSYIARSMXGJTE-QUGAMOGWSA-N	-1	3	460.961	6.424	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@H]3c3ccccc3)sc2c1	ZINC000001450710	553973587	/nfs/dbraw/zinc/97/35/87/553973587.db2.gz	ZGDRRRYCWMFJNI-HSZRJFAPSA-N	-1	3	486.549	5.405	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(O)c2)c1	ZINC000001450559	553973623	/nfs/dbraw/zinc/97/36/23/553973623.db2.gz	MGVJPVJZEXWUMN-HSZRJFAPSA-N	-1	3	486.549	5.410	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3cccc(OC)c3)sc2c1	ZINC000001450621	553973761	/nfs/dbraw/zinc/97/37/61/553973761.db2.gz	YGDFLKVWEZJSJD-HSZRJFAPSA-N	-1	3	470.550	5.650	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000001464100	553976257	/nfs/dbraw/zinc/97/62/57/553976257.db2.gz	GDSOAUKDQRTUJY-SANMLTNESA-N	-1	3	478.504	5.665	50	30		JKEAHM
CC(=O)Nc1ccc(/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2[O-])cc1	ZINC000001464826	553976271	/nfs/dbraw/zinc/97/62/71/553976271.db2.gz	ZHEHSEILYDGVEV-ZMOGYAJESA-N	-1	3	453.292	5.083	50	30		JKEAHM
Cc1cc(I)cc(/C=N/c2ccc(NC(=O)c3ccccc3)c(C)c2)c1[O-]	ZINC000001502117	553977708	/nfs/dbraw/zinc/97/77/08/553977708.db2.gz	YGJLTIBMTVAEBI-ZMOGYAJESA-N	-1	3	470.310	5.617	50	30		JKEAHM
C=CCn1c(CSc2nc3sc4c(c3c(=O)[n-]2)CCC4)nnc1SC/C=C/c1ccccc1	ZINC000001792984	553991063	/nfs/dbraw/zinc/99/10/63/553991063.db2.gz	SAPDOKLWZDCCAB-JXMROGBWSA-N	-1	3	493.683	5.349	50	30		JKEAHM
CCOc1cc(Cl)cc(/C=N/c2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1[O-]	ZINC000001826486	553993004	/nfs/dbraw/zinc/99/30/04/553993004.db2.gz	MJQWXOHCPJCRHC-IPPBACCNSA-N	-1	3	477.347	7.810	50	30		JKEAHM
CCOc1cc(Br)cc(/C=N/c2ccc3oc(Cc4ccc(Cl)cc4)nc3c2)c1[O-]	ZINC000001878357	554000094	/nfs/dbraw/zinc/00/00/94/554000094.db2.gz	RRLPUNORZUOHSQ-LGJNPRDNSA-N	-1	3	485.765	6.689	50	30		JKEAHM
Cc1cc([O-])c(/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)c(C)c1Cl	ZINC000001884459	554000737	/nfs/dbraw/zinc/00/07/37/554000737.db2.gz	PEAUBWCCMUXXEM-OPEKNORGSA-N	-1	3	455.739	6.984	50	30		JKEAHM
CCOc1cc(Br)cc(/C=N/c2cccc(-c3nc4ccc(C)cc4o3)c2)c1[O-]	ZINC000001955881	554007721	/nfs/dbraw/zinc/00/77/21/554007721.db2.gz	FQEMZENHNBSNTK-DHRITJCHSA-N	-1	3	451.320	6.421	50	30		JKEAHM
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)c([O-])c(OCC)c1	ZINC000002082366	554028195	/nfs/dbraw/zinc/02/81/95/554028195.db2.gz	BRTMLCJREDQZCP-OAQYLSRUSA-N	-1	3	492.410	5.255	50	30		JKEAHM
C=CCOc1ccc(C(=O)NN2C(=O)c3ccccc3N[C@H]2c2c([O-])ccc3ccccc32)cc1	ZINC000002085469	554031205	/nfs/dbraw/zinc/03/12/05/554031205.db2.gz	IUVMLTLZMJONJT-AREMUKBSSA-N	-1	3	465.509	5.022	50	30		JKEAHM
Cc1ccc(/N=C2\S/C(=C\c3cc([O-])ccc3Br)C(=O)N2c2ccc(C)cc2)cc1	ZINC000002095638	554040167	/nfs/dbraw/zinc/04/01/67/554040167.db2.gz	JDVOENNSCPAFDC-PZFZXBCHSA-N	-1	3	479.399	6.580	50	30		JKEAHM
C[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3cc(-c4ccccc4)nc4ccccc43)sc2C1	ZINC000002111008	554049660	/nfs/dbraw/zinc/04/96/60/554049660.db2.gz	HLRHHXZDDDZEED-MRXNPFEDSA-N	-1	3	482.634	6.087	50	30		JKEAHM
CCCCCCCSc1nnc2c(n1)O[C@]1([N-]c3ccccc3-2)C(=O)Nc2ccc(Cl)cc21	ZINC000002113726	554052356	/nfs/dbraw/zinc/05/23/56/554052356.db2.gz	NLYWUKROYYGSPJ-DEOSSOPVSA-N	-1	3	482.009	5.864	50	30		JKEAHM
[O-]c1ccc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1NCCc1ccccc1	ZINC000002160925	554074351	/nfs/dbraw/zinc/07/43/51/554074351.db2.gz	HBCUKVAUQDARIO-CCVNUDIWSA-N	-1	3	463.297	6.579	50	30		JKEAHM
N#Cc1c([N-]C(=S)NC(=O)c2ccccc2I)sc2c1CCCCCC2	ZINC000002316447	554145749	/nfs/dbraw/zinc/14/57/49/554145749.db2.gz	IIEDDALCLLPIFG-UHFFFAOYSA-N	-1	3	495.411	5.010	50	30		JKEAHM
CCOc1ccccc1C(=O)NC([N-]c1cccc(C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F	ZINC000002322796	554147832	/nfs/dbraw/zinc/14/78/32/554147832.db2.gz	IAFCPULORYKKNM-UHFFFAOYSA-N	-1	3	474.323	5.767	50	30		JKEAHM
N#Cc1ccc(CSc2nnc([N-]C(=O)c3oc4ccccc4c3COc3ccccc3)s2)cc1	ZINC000002624444	554248491	/nfs/dbraw/zinc/24/84/91/554248491.db2.gz	SVUGBNRVTWEDRM-UHFFFAOYSA-N	-1	3	498.589	6.280	50	30		JKEAHM
N#Cc1c2c(sc1[N-]C(=S)NC(=O)c1cc(-c3ccccc3)nc3ccccc31)CCC2	ZINC000002727048	554312966	/nfs/dbraw/zinc/31/29/66/554312966.db2.gz	HHYOFXXTSVGHAX-UHFFFAOYSA-N	-1	3	454.580	5.450	50	30		JKEAHM
CCc1c(C)sc([N-]C(=O)c2cc3nc(-c4ccc(C)c(C)c4)cc(C(F)(F)F)n3n2)c1C#N	ZINC000002738011	554320223	/nfs/dbraw/zinc/32/02/23/554320223.db2.gz	GSPRKSKPDJFYOU-UHFFFAOYSA-N	-1	3	483.519	6.088	50	30		JKEAHM
CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3sc4cccc(Cl)c4c3Cl)sc2C1	ZINC000002758972	554330603	/nfs/dbraw/zinc/33/06/03/554330603.db2.gz	QSMPLJMZOIMLPJ-LLVKDONJSA-N	-1	3	463.455	7.545	50	30		JKEAHM
CC[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cnn4c3nc(-c3ccccc3)cc4C(F)F)sc2C1	ZINC000002769943	554335763	/nfs/dbraw/zinc/33/57/63/554335763.db2.gz	ZNHMRNYKYJGYLZ-CQSZACIVSA-N	-1	3	477.540	6.034	50	30		JKEAHM
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cc(Cl)c([O-])c(OCC)c1	ZINC000002771857	554336744	/nfs/dbraw/zinc/33/67/44/554336744.db2.gz	UVKAKEHHGFTVQA-BVZFJXPGSA-N	-1	3	496.003	5.759	50	30		JKEAHM
N#Cc1c2c(sc1[N-]C(=O)c1cnn3c1nc(C1CC1)cc3C(F)F)CCCCCCCCCC2	ZINC000002778406	554340701	/nfs/dbraw/zinc/34/07/01/554340701.db2.gz	VBVZFHMHCTXJDN-UHFFFAOYSA-N	-1	3	497.615	6.949	50	30		JKEAHM
CCOC(=O)c1sc([N-]C(=O)c2ccc(COc3ccc(Br)cc3)o2)c(C#N)c1C	ZINC000002792266	554347694	/nfs/dbraw/zinc/34/76/94/554347694.db2.gz	PIVPBLIGAUCEDH-UHFFFAOYSA-N	-1	3	489.347	5.292	50	30		JKEAHM
O=C(CO/N=C/c1ccccc1[O-])N(Cc1ccccc1)[C@H](Cc1ccccc1)c1ccco1	ZINC000002897169	554409774	/nfs/dbraw/zinc/40/97/74/554409774.db2.gz	AOUJGUGULPXLHY-LBYSXPAKSA-N	-1	3	454.526	5.349	50	30		JKEAHM
O=C(CO/N=C/c1ccccc1[O-])N(Cc1ccccc1)[C@@H](Cc1ccccc1)c1ccco1	ZINC000002897167	554409814	/nfs/dbraw/zinc/40/98/14/554409814.db2.gz	AOUJGUGULPXLHY-CSLYNHGHSA-N	-1	3	454.526	5.349	50	30		JKEAHM
Cc1ccc(-c2oc([N-]C(=O)c3c(Cl)cccc3Cl)c(C#N)c2-c2ccc(C)cc2)cc1	ZINC000003305401	554448033	/nfs/dbraw/zinc/44/80/33/554448033.db2.gz	KJMPQBHOLHFAPY-UHFFFAOYSA-N	-1	3	461.348	7.661	50	30		JKEAHM
CN1c2ccccc2S/C1=C1\S/C(=N\c2cccc([O-])c2)N(CCc2ccccc2)C1=O	ZINC000004089377	554472773	/nfs/dbraw/zinc/47/27/73/554472773.db2.gz	MADGAUPKISSMOK-SLJQUXCSSA-N	-1	3	459.596	5.609	50	30		JKEAHM
CCc1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000005928972	554496598	/nfs/dbraw/zinc/49/65/98/554496598.db2.gz	AIRJXPHFYPHROZ-DEOSSOPVSA-N	-1	3	468.578	6.258	50	30		JKEAHM
CCc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000005928972	554496599	/nfs/dbraw/zinc/49/65/99/554496599.db2.gz	AIRJXPHFYPHROZ-DEOSSOPVSA-N	-1	3	468.578	6.258	50	30		JKEAHM
CCOc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccc(N(C)C)cc4)nc3c2)c1[O-]	ZINC000006089705	554504040	/nfs/dbraw/zinc/50/40/40/554504040.db2.gz	ZTJMXHCBMVCAOS-VULFUBBASA-N	-1	3	480.362	6.178	50	30		JKEAHM
COc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(Br)cc2)c1	ZINC000006282977	554525875	/nfs/dbraw/zinc/52/58/75/554525875.db2.gz	GKZMBERDROBEDI-OAQYLSRUSA-N	-1	3	464.315	5.241	50	30		JKEAHM
CCCCCCCCCCCCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(N)cc2)N1	ZINC000008386504	554569397	/nfs/dbraw/zinc/56/93/97/554569397.db2.gz	PSOCYYGLIJCLFV-XMMPIXPASA-N	-1	3	469.592	6.813	50	30		JKEAHM
[O-]c1cc(O)ccc1/C=N/N=C1\SC(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1	ZINC000008399200	554574547	/nfs/dbraw/zinc/57/45/47/554574547.db2.gz	AUAAPPAJFQUMBN-QUUOJBGYSA-N	-1	3	491.576	6.502	50	30		JKEAHM
[O-]c1ccccc1/C=N/N=C1\SC(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccc(F)cc1	ZINC000008399237	554574603	/nfs/dbraw/zinc/57/46/03/554574603.db2.gz	HLJPAHWUDPWHOE-JZMPZNLKSA-N	-1	3	493.567	6.935	50	30		JKEAHM
CCOc1ccc(/C=N/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccc(OC)cc3)cc2)c([O-])c1	ZINC000008399583	554574684	/nfs/dbraw/zinc/57/46/84/554574684.db2.gz	DSWGDKOWXNTTIL-IMASQNRCSA-N	-1	3	491.591	6.906	50	30		JKEAHM
CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(NC=CC(=O)c3ccc(Cl)c(Cl)c3)cc2)c1	ZINC000008400622	554575935	/nfs/dbraw/zinc/57/59/35/554575935.db2.gz	QLAIDSLYTLUKKU-VAWYXSNFSA-N	-1	3	489.380	5.805	50	30		JKEAHM
CCCCCCCCCCCCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc([N+](=O)[O-])cc2)N1	ZINC000008427145	554582518	/nfs/dbraw/zinc/58/25/18/554582518.db2.gz	XQXBSIWEBAMRAO-DEOSSOPVSA-N	-1	3	499.574	7.139	50	30		JKEAHM
CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(Cl)c1[O-]	ZINC000008430579	554583655	/nfs/dbraw/zinc/58/36/55/554583655.db2.gz	NOTYDSSHAUZOLV-JBEBIEQOSA-N	-1	3	466.990	6.485	50	30		JKEAHM
[O-]c1c(CN=Nc2nc3ccc(Br)cc3c(-c3ccccc3)n2)ccc2ccccc21	ZINC000008453993	554599389	/nfs/dbraw/zinc/59/93/89/554599389.db2.gz	BBNZUVWQMUGLKD-JFLMPSFJSA-N	-1	3	469.342	6.364	50	30		JKEAHM
C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000008738660	554640376	/nfs/dbraw/zinc/64/03/76/554640376.db2.gz	CXVYXLXJYNNLTJ-XMMPIXPASA-N	-1	3	472.541	5.628	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cccc(O)c3)sc2c1	ZINC000008740865	554642839	/nfs/dbraw/zinc/64/28/39/554642839.db2.gz	QZMNZGKLUBRSAG-FQEVSTJZSA-N	-1	3	462.552	5.409	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cccc(O)c3)sc2c1	ZINC000008740864	554642878	/nfs/dbraw/zinc/64/28/78/554642878.db2.gz	QZMNZGKLUBRSAG-HXUWFJFHSA-N	-1	3	462.552	5.409	50	30		JKEAHM
Cc1cc(C)nc(N=C([N-]C(=O)Nc2ccccc2Cl)NCCc2c[nH]c3ccc(Cl)cc23)n1	ZINC000008758792	554660761	/nfs/dbraw/zinc/66/07/61/554660761.db2.gz	OBHALSLOYPAYBP-UHFFFAOYSA-N	-1	3	496.402	5.714	50	30		JKEAHM
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@H]2/N=C/c1cc(Br)ccc1[O-]	ZINC000008789143	554681463	/nfs/dbraw/zinc/68/14/63/554681463.db2.gz	HRXCHYCHNSDAKH-COUYQLIHSA-N	-1	3	458.484	7.375	50	30	biogenic	JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000008816725	554698832	/nfs/dbraw/zinc/69/88/32/554698832.db2.gz	FFJQZNPXQRJCRT-JOCHJYFZSA-N	-1	3	472.522	5.096	50	30		JKEAHM
COc1cccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000008818000	554701173	/nfs/dbraw/zinc/70/11/73/554701173.db2.gz	SJEDPLPMCVXCPT-QHCPKHFHSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000008818000	554701175	/nfs/dbraw/zinc/70/11/75/554701175.db2.gz	SJEDPLPMCVXCPT-QHCPKHFHSA-N	-1	3	470.550	5.705	50	30		JKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc4ccccc4c3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000008827601	554717586	/nfs/dbraw/zinc/71/75/86/554717586.db2.gz	HNINFIFPEZRYPX-VWLOTQADSA-N	-1	3	466.537	6.217	50	30		JKEAHM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000008827601	554717587	/nfs/dbraw/zinc/71/75/87/554717587.db2.gz	HNINFIFPEZRYPX-VWLOTQADSA-N	-1	3	466.537	6.217	50	30		JKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc4ccccc4c3)[C@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000008827600	554717623	/nfs/dbraw/zinc/71/76/23/554717623.db2.gz	HNINFIFPEZRYPX-RUZDIDTESA-N	-1	3	466.537	6.217	50	30		JKEAHM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000008827600	554717625	/nfs/dbraw/zinc/71/76/25/554717625.db2.gz	HNINFIFPEZRYPX-RUZDIDTESA-N	-1	3	466.537	6.217	50	30		JKEAHM
COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc(I)c1[O-]	ZINC000008837139	554737871	/nfs/dbraw/zinc/73/78/71/554737871.db2.gz	JKEZDEFIOJYTBA-HXUWFJFHSA-N	-1	3	490.341	5.227	50	30		JKEAHM
COc1ccccc1[C@@H]1C(=C([O-])c2ccc(C)cc2)C(=O)C(=O)N1c1nc2ccc(C)cc2s1	ZINC000008837636	554738576	/nfs/dbraw/zinc/73/85/76/554738576.db2.gz	VKGJHQPADBSWDO-HSZRJFAPSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)cc2)=C([O-])C(=O)N1c1nc2ccc(C)cc2s1	ZINC000008837636	554738579	/nfs/dbraw/zinc/73/85/79/554738579.db2.gz	VKGJHQPADBSWDO-HSZRJFAPSA-N	-1	3	470.550	5.705	50	30		JKEAHM
CCOc1cccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1	ZINC000008845272	554742076	/nfs/dbraw/zinc/74/20/76/554742076.db2.gz	FQNLSLANGDEOOU-NRFANRHFSA-N	-1	3	476.554	5.144	50	30		JKEAHM
CCCCCCOc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2cccc(OC)c2)c1	ZINC000008846608	554745177	/nfs/dbraw/zinc/74/51/77/554745177.db2.gz	NJOUTNIHCXKJJB-MHZLTWQESA-N	-1	3	485.580	6.437	50	30		JKEAHM
CCCCCCOc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccc(OC)c2)c1	ZINC000008846608	554745180	/nfs/dbraw/zinc/74/51/80/554745180.db2.gz	NJOUTNIHCXKJJB-MHZLTWQESA-N	-1	3	485.580	6.437	50	30		JKEAHM
CCCCCCOc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)c1	ZINC000008846618	554745463	/nfs/dbraw/zinc/74/54/63/554745463.db2.gz	XXEUMSXFRHSRPI-GDLZYMKVSA-N	-1	3	497.635	7.552	50	30		JKEAHM
CCCCCCOc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)c1	ZINC000008846618	554745465	/nfs/dbraw/zinc/74/54/65/554745465.db2.gz	XXEUMSXFRHSRPI-GDLZYMKVSA-N	-1	3	497.635	7.552	50	30		JKEAHM
Cc1ccc(Nc2nc(N=NCc3cccc([N+](=O)[O-])c3)nc([N-]c3ccc([N+](=O)[O-])cc3)n2)cc1C	ZINC000008872834	554769558	/nfs/dbraw/zinc/76/95/58/554769558.db2.gz	QZPKMSUXZULJPM-AFUMVMLFSA-N	-1	3	499.491	5.238	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(C)cc3)sc2c1	ZINC000008894370	554783395	/nfs/dbraw/zinc/78/33/95/554783395.db2.gz	SIYJUPRMLSOBBH-HSZRJFAPSA-N	-1	3	472.541	6.089	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000008894488	554783753	/nfs/dbraw/zinc/78/37/53/554783753.db2.gz	OJWDMGRDQYKBNU-SANMLTNESA-N	-1	3	496.632	7.073	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000008894488	554783756	/nfs/dbraw/zinc/78/37/56/554783756.db2.gz	OJWDMGRDQYKBNU-SANMLTNESA-N	-1	3	496.632	7.073	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1	ZINC000008899248	554790036	/nfs/dbraw/zinc/79/00/36/554790036.db2.gz	LRGHQUFYFVMDFU-QFIPXVFZSA-N	-1	3	485.521	5.604	50	30		JKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC(C)C)cc3)[C@H]2c2ccc(C(C)C)cc2)no1	ZINC000008914201	554807362	/nfs/dbraw/zinc/80/73/62/554807362.db2.gz	YWJYIEJXTVJOJX-XMMPIXPASA-N	-1	3	460.530	5.677	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3cccc(OC)c3)sc2c1	ZINC000008914195	554807368	/nfs/dbraw/zinc/80/73/68/554807368.db2.gz	DJRUDUVECOTCGT-XMMPIXPASA-N	-1	3	484.577	5.959	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3cccc(OC)c3)sc2c1	ZINC000008914195	554807372	/nfs/dbraw/zinc/80/73/72/554807372.db2.gz	DJRUDUVECOTCGT-XMMPIXPASA-N	-1	3	484.577	5.959	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccccc3)sc2c1	ZINC000008934729	554829386	/nfs/dbraw/zinc/82/93/86/554829386.db2.gz	ODDHSRNXVYYNFC-QFIPXVFZSA-N	-1	3	458.514	5.781	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1	ZINC000008973674	554844864	/nfs/dbraw/zinc/84/48/64/554844864.db2.gz	MGPDVUWMTWERCV-JOCHJYFZSA-N	-1	3	490.968	6.050	50	30		JKEAHM
CC(C)c1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000008973708	554844940	/nfs/dbraw/zinc/84/49/40/554844940.db2.gz	MGYYHCYHNPPXJH-HSZRJFAPSA-N	-1	3	472.541	6.342	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccccc3)nc2c(C)c1	ZINC000008973977	554845309	/nfs/dbraw/zinc/84/53/09/554845309.db2.gz	JRINLAKTPXCFNM-QFIPXVFZSA-N	-1	3	474.969	6.349	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(C(C)C)cc3)nc2c(C)c1	ZINC000008973908	554845364	/nfs/dbraw/zinc/84/53/64/554845364.db2.gz	ZGGRKDFJKNQOIK-VWLOTQADSA-N	-1	3	482.605	6.819	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C(C)C)cc3)nc2c(C)c1	ZINC000008973908	554845365	/nfs/dbraw/zinc/84/53/65/554845365.db2.gz	ZGGRKDFJKNQOIK-VWLOTQADSA-N	-1	3	482.605	6.819	50	30		JKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000008996610	554857534	/nfs/dbraw/zinc/85/75/34/554857534.db2.gz	XXPXTPPLHMXCRC-OAQYLSRUSA-N	-1	3	450.922	5.717	50	30		JKEAHM
CC(C)Oc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000009007876	554861570	/nfs/dbraw/zinc/86/15/70/554861570.db2.gz	XENFZYNANZDENJ-JOCHJYFZSA-N	-1	3	462.571	5.837	50	30		JKEAHM
COc1ccc(OC)c([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)c1	ZINC000009373895	555135684	/nfs/dbraw/zinc/13/56/84/555135684.db2.gz	NXCMJPMEQWCTLR-HSZRJFAPSA-N	-1	3	463.917	5.449	50	30		JKEAHM
CCC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3cccc4ccccc43)sc2C1	ZINC000009434886	555205806	/nfs/dbraw/zinc/20/58/06/555205806.db2.gz	UCDWLEKSBZCMIH-QGZVFWFLSA-N	-1	3	461.656	6.441	50	30		JKEAHM
CCC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccc(Br)cc3)sc2C1	ZINC000009553510	555349724	/nfs/dbraw/zinc/34/97/24/555349724.db2.gz	GTGHUKBGPZFASE-AWEZNQCLSA-N	-1	3	490.492	6.050	50	30		JKEAHM
COc1ccc(-c2cc(C(=O)[N-]c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)no2)cc1OC	ZINC000009597858	555415084	/nfs/dbraw/zinc/41/50/84/555415084.db2.gz	UMKINZOUMDMQSC-HNNXBMFYSA-N	-1	3	465.575	5.695	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccccc3)sc2c1	ZINC000013553132	555493198	/nfs/dbraw/zinc/49/31/98/555493198.db2.gz	DHUPQXIDKSOEHV-QHCPKHFHSA-N	-1	3	454.551	5.950	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccccc3)sc2c1	ZINC000013553132	555493200	/nfs/dbraw/zinc/49/32/00/555493200.db2.gz	DHUPQXIDKSOEHV-QHCPKHFHSA-N	-1	3	454.551	5.950	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1	ZINC000013571173	555509695	/nfs/dbraw/zinc/50/96/95/555509695.db2.gz	ANGVJQTTWWFFAV-DEOSSOPVSA-N	-1	3	484.577	5.959	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1	ZINC000013571173	555509696	/nfs/dbraw/zinc/50/96/96/555509696.db2.gz	ANGVJQTTWWFFAV-DEOSSOPVSA-N	-1	3	484.577	5.959	50	30		JKEAHM
CCOC(=O)c1c(/N=C/c2cc(Br)ccc2[O-])sc2c1CCN(Cc1ccccc1)C2	ZINC000013576125	555514921	/nfs/dbraw/zinc/51/49/21/555514921.db2.gz	OBRHGWACSDMRTO-LGJNPRDNSA-N	-1	3	499.430	5.702	50	30		JKEAHM
C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cc(-c4ccco4)nc4onc(-c5ccccc5)c43)sc2C1	ZINC000013641176	555547234	/nfs/dbraw/zinc/54/72/34/555547234.db2.gz	IIPXLUKWQQTBEF-OAHLLOKOSA-N	-1	3	480.549	6.460	50	30		JKEAHM
CCn1ncc(-c2ccnc3c(C(=O)[N-]c4sc5c(c4C#N)CC[C@@H](C(C)(C)C)C5)cnn32)c1C	ZINC000013644720	555549901	/nfs/dbraw/zinc/54/99/01/555549901.db2.gz	PHPFGAQHTKJYQE-MRXNPFEDSA-N	-1	3	487.633	5.258	50	30		JKEAHM
O=C(NC([N-]c1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1Cl	ZINC000013756471	555610730	/nfs/dbraw/zinc/61/07/30/555610730.db2.gz	JVALMTKXUIOSFS-UHFFFAOYSA-N	-1	3	483.598	6.449	50	30		JKEAHM
CN1CCN(c2nc3ccccc3nc2[N-]c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)CC1	ZINC000012560098	556051727	/nfs/dbraw/zinc/05/17/27/556051727.db2.gz	RCCQRWZZNGUOAQ-UHFFFAOYSA-N	-1	3	486.579	5.924	50	30		JKEAHM
CSC(=Nc1ccc(-c2nc3ccc(C)cc3s2)cc1)[N-]S(=O)(=O)c1cccs1	ZINC000012564317	556060070	/nfs/dbraw/zinc/06/00/70/556060070.db2.gz	AOSATAJZKQEGGY-UHFFFAOYSA-N	-1	3	459.643	5.853	50	30		JKEAHM
C=C(C)Cn1c(SCc2nc3c(c(=O)[n-]2)C2(CCCC2)Cc2ccccc2-3)nc2ccccc2c1=O	ZINC000016945387	556182927	/nfs/dbraw/zinc/18/29/27/556182927.db2.gz	OPRKSXAUVDDUDT-UHFFFAOYSA-N	-1	3	496.636	5.383	50	30		JKEAHM
CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4cc(Br)ccc4[O-])c3c2C1	ZINC000025580584	556224916	/nfs/dbraw/zinc/22/49/16/556224916.db2.gz	NDZUQLYIOYSSII-JWHVREMKSA-N	-1	3	473.440	6.147	50	30		JKEAHM
[O-]/N=C(C(=N\O)\c1ccccc1OCc1ccccc1)/c1ccccc1OCc1ccccc1	ZINC000017185347	556235171	/nfs/dbraw/zinc/23/51/71/556235171.db2.gz	ZUIVXNNHMTVQMC-JOKXDOCYSA-N	-1	3	452.510	5.901	50	30		JKEAHM
[O-]/N=C(C(=N\O)/c1ccccc1OCc1ccccc1)\c1ccccc1OCc1ccccc1	ZINC000017185347	556235173	/nfs/dbraw/zinc/23/51/73/556235173.db2.gz	ZUIVXNNHMTVQMC-JOKXDOCYSA-N	-1	3	452.510	5.901	50	30		JKEAHM
Cc1c(C#N)c2nc3ccccc3n2c([O-])c1/C=N/c1ccc(-c2cc3ccccc3oc2=O)cc1	ZINC000027472149	556279830	/nfs/dbraw/zinc/27/98/30/556279830.db2.gz	VSWVNRIKHBUIGG-WCMJOSRZSA-N	-1	3	470.488	5.897	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccccc3s2)cc1OC	ZINC000018066028	556282327	/nfs/dbraw/zinc/28/23/27/556282327.db2.gz	UGIYBBGEFQMHQR-JOCHJYFZSA-N	-1	3	472.522	5.096	50	30		JKEAHM
Cc1cc(I)cc(/C=N/c2cc(-c3nc4ccccc4s3)ccc2C)c1[O-]	ZINC000027519657	556283042	/nfs/dbraw/zinc/28/30/42/556283042.db2.gz	YPVRPSSADSBIDE-WYMPLXKRSA-N	-1	3	484.362	6.641	50	30		JKEAHM
C/C(=N\[N-]c1nc(-c2ccc(Cl)cc2)cs1)c1cc2cc(Br)ccc2oc1=O	ZINC000027520371	556283387	/nfs/dbraw/zinc/28/33/87/556283387.db2.gz	JDANWZLDRYGSTN-BHGWPJFGSA-N	-1	3	474.767	6.169	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@H]2c1cccc(Oc2ccccc2)c1	ZINC000018195216	556302366	/nfs/dbraw/zinc/30/23/66/556302366.db2.gz	WRFNZIWXCQOPMT-VWLOTQADSA-N	-1	3	477.564	6.571	50	30		JKEAHM
O=C1c2ccccc2C2=C1[C@H](c1ccc(Br)cc1)c1c([n-]n(-c3ccccc3)c1=O)N2	ZINC000018195573	556302739	/nfs/dbraw/zinc/30/27/39/556302739.db2.gz	DYRAIOOVVIERSZ-IBGZPJMESA-N	-1	3	470.326	5.093	50	30		JKEAHM
O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3cccs3)C1)[C@@H]2c1cc(Cl)ccc1O	ZINC000018196423	556303091	/nfs/dbraw/zinc/30/30/91/556303091.db2.gz	MZKXCIBMNINZIV-FPTDNZKUSA-N	-1	3	489.984	5.544	50	30		JKEAHM
CSc1ccc([C@@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1	ZINC000018197079	556303750	/nfs/dbraw/zinc/30/37/50/556303750.db2.gz	TXDHLXRZLPIJDS-SBUREZEXSA-N	-1	3	485.634	5.907	50	30		JKEAHM
CN(C)c1ccc([C@@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1	ZINC000018197667	556304108	/nfs/dbraw/zinc/30/41/08/556304108.db2.gz	ZVXKCVXRLBENCJ-UUOWRZLLSA-N	-1	3	482.609	5.251	50	30		JKEAHM
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH][n-]c(=O)c2[C@H]3c2ccccc2C(F)(F)F)cc1OC	ZINC000018197292	556304110	/nfs/dbraw/zinc/30/41/10/556304110.db2.gz	YOLXGVARHZUFEJ-RBZFPXEDSA-N	-1	3	485.462	5.110	50	30		JKEAHM
N#Cc1c([N-]C(=O)c2nc(SCc3ccccc3)ncc2Br)sc2c1CCCC2	ZINC000027745383	556305083	/nfs/dbraw/zinc/30/50/83/556305083.db2.gz	YUAIWIRPXDXCKF-UHFFFAOYSA-N	-1	3	485.432	5.596	50	30		JKEAHM
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[n-]n(-c4ccccc4)c(=O)c2[C@H]3c2cccs2)cc1OC	ZINC000018198573	556305972	/nfs/dbraw/zinc/30/59/72/556305972.db2.gz	LIOJHLYHSAJKFK-GKVSMKOHSA-N	-1	3	499.592	5.203	50	30		JKEAHM
CCOc1ccc([C@@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@H](c2ccco2)C3)cc1	ZINC000018200068	556307937	/nfs/dbraw/zinc/30/79/37/556307937.db2.gz	RIMJXYVXUWJJSO-KOSHJBKYSA-N	-1	3	467.525	5.116	50	30		JKEAHM
CCOc1ccc([C@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@H](c2ccco2)C3)cc1	ZINC000018200066	556308001	/nfs/dbraw/zinc/30/80/01/556308001.db2.gz	RIMJXYVXUWJJSO-HOYKHHGWSA-N	-1	3	467.525	5.116	50	30		JKEAHM
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2[nH][n-]c(=O)c2[C@@H]3c2ccc(C(F)(F)F)cc2)cc1OC	ZINC000018200591	556308202	/nfs/dbraw/zinc/30/82/02/556308202.db2.gz	DVNWJSJAKRHOGN-JLTOFOAXSA-N	-1	3	485.462	5.110	50	30		JKEAHM
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2[nH][n-]c(=O)c2[C@H]3c2ccc(C(F)(F)F)cc2)cc1OC	ZINC000018200594	556308347	/nfs/dbraw/zinc/30/83/47/556308347.db2.gz	DVNWJSJAKRHOGN-VLIAUNLRSA-N	-1	3	485.462	5.110	50	30		JKEAHM
COc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1[O-]	ZINC000019535393	556352955	/nfs/dbraw/zinc/35/29/55/556352955.db2.gz	ULOGFCDRQJWMRP-QFIPXVFZSA-N	-1	3	473.997	5.534	50	30		JKEAHM
CCc1cccc2c(C(=O)[C@@H](OC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)c3ccccc3)c[nH]c21	ZINC000032739669	556479869	/nfs/dbraw/zinc/47/98/69/556479869.db2.gz	TXHIKTWKNJIRHX-NDEPHWFRSA-N	-1	3	481.552	5.007	50	30		JKEAHM
Cc1ccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000008441682	569590397	/nfs/dbraw/zinc/59/03/97/569590397.db2.gz	IWDMQIXXZKQUFF-RUZDIDTESA-N	-1	3	494.572	6.751	50	30		JKEAHM
Cc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000008441682	569590398	/nfs/dbraw/zinc/59/03/98/569590398.db2.gz	IWDMQIXXZKQUFF-RUZDIDTESA-N	-1	3	494.572	6.751	50	30		JKEAHM
COc1ccc(OC)c([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(Cl)c(C)c2)c1	ZINC000008715761	569596373	/nfs/dbraw/zinc/59/63/73/569596373.db2.gz	GARCEIWWOYNPAD-QHCPKHFHSA-N	-1	3	463.917	5.449	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3cccc(OC)c3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000008737868	569602077	/nfs/dbraw/zinc/60/20/77/569602077.db2.gz	SMZYYGDHESHPSJ-QHCPKHFHSA-N	-1	3	486.549	5.405	50	30		JKEAHM
C=CCc1cccc([C@@H]2OC(c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)=NN2C(C)=O)c1[O-]	ZINC000064567362	569619680	/nfs/dbraw/zinc/61/96/80/569619680.db2.gz	PRNBHALOLWAULO-SANMLTNESA-N	-1	3	475.932	5.266	50	30		JKEAHM
C=CCc1cccc([C@@H]2OC(c3cccc(NC(=O)c4ccc(Cl)cc4)c3)=NN2C(C)=O)c1[O-]	ZINC000064567364	569619683	/nfs/dbraw/zinc/61/96/83/569619683.db2.gz	KWWPMWGVTCSGHI-SANMLTNESA-N	-1	3	475.932	5.266	50	30		JKEAHM
CCOc1cc(/C=C2/CCC/C(=C/c3cc(Cl)c(O)c(OCC)c3)C2=O)cc(Cl)c1[O-]	ZINC000035112236	569675156	/nfs/dbraw/zinc/67/51/56/569675156.db2.gz	UBNIWCQGNMPLDO-JCDHFMOQSA-N	-1	3	463.357	6.422	50	30		JKEAHM
CCc1ccccc1N=C1S/C(=C\c2cc(Cl)c([O-])c(OC)c2)C(=O)N1c1ccccc1CC	ZINC000083313486	569708615	/nfs/dbraw/zinc/70/86/15/569708615.db2.gz	UVKZDRXJKSDYRQ-NWEZUEQQSA-N	-1	3	493.028	6.988	50	30		JKEAHM
COc1cc(/C=C2/CN(CC3CC3)C/C(=C/c3cc(Cl)c(O)c(OC)c3)C2=O)cc(Cl)c1[O-]	ZINC000095535909	569725624	/nfs/dbraw/zinc/72/56/24/569725624.db2.gz	DIIGHKVINQRUDW-OYUQAUEZSA-N	-1	3	490.383	5.184	50	30		JKEAHM
C=C(C)COc1ccc([C@H]2CC(=O)Oc3ccc4c(occ(-c5ccc([O-])cc5)c4=O)c32)cc1	ZINC000096221476	569738785	/nfs/dbraw/zinc/73/87/85/569738785.db2.gz	COTCIQINRUDRTE-JOCHJYFZSA-N	-1	3	454.478	5.562	50	30	biogenic	JKEAHM
C=C(C)COc1cc([C@@H]2CC(=O)Oc3ccc4c(occ(-c5ccc([O-])cc5)c4=O)c32)ccc1OC	ZINC000096221797	569739265	/nfs/dbraw/zinc/73/92/65/569739265.db2.gz	YMSHAWMDBIAYCP-NRFANRHFSA-N	-1	3	484.504	5.570	50	30	biogenic	JKEAHM
COc1cc(Br)cc(/C=N\c2sc3c(c2C#N)CCN(Cc2ccccc2)C3)c1[O-]	ZINC000097137930	569744579	/nfs/dbraw/zinc/74/45/79/569744579.db2.gz	DVWJJDKSDPNFBG-ZRGSRPPYSA-N	-1	3	482.403	5.405	50	30		JKEAHM
O=S(=O)([N-]c1cc(C(F)(F)F)ccc1F)c1cc(Br)cc(C(F)(F)F)c1	ZINC000098073032	569750198	/nfs/dbraw/zinc/75/01/98/569750198.db2.gz	UGMFKCBFTUGEKG-UHFFFAOYSA-N	-1	3	466.172	5.427	50	30		JKEAHM
CCOc1cc(-c2nc3ccccn3c2/N=C/c2cc(Br)ccc2[O-])ccc1O	ZINC000100057418	569752125	/nfs/dbraw/zinc/75/21/25/569752125.db2.gz	GZHARWXYZUYVDT-ZMOGYAJESA-N	-1	3	452.308	5.324	50	30		JKEAHM
O=c1c(C=NCc2ccco2)c(CSc2ccc(Cl)cc2)[n-]n1-c1nc2ccccc2s1	ZINC000100104467	569752983	/nfs/dbraw/zinc/75/29/83/569752983.db2.gz	MCVUVXZGPCCVIY-DHRITJCHSA-N	-1	3	481.002	5.933	50	30		JKEAHM
Cc1cccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@@H]2c2ccc(Br)cc2)c1	ZINC000100145062	569753779	/nfs/dbraw/zinc/75/37/79/569753779.db2.gz	GWLNMGBVWRVEBF-RLMNYEENSA-N	-1	3	474.354	5.940	50	30		JKEAHM
CCOc1ccc(N2C(=O)C([O-])=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000100241716	569756212	/nfs/dbraw/zinc/75/62/12/569756212.db2.gz	XDOHBPJQIXVXFE-AZYSCILLSA-N	-1	3	470.481	5.176	50	30		JKEAHM
CCOc1ccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000100241716	569756213	/nfs/dbraw/zinc/75/62/13/569756213.db2.gz	XDOHBPJQIXVXFE-AZYSCILLSA-N	-1	3	470.481	5.176	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1cc(Br)ccc1[O-]	ZINC000100415008	569759640	/nfs/dbraw/zinc/75/96/40/569759640.db2.gz	GFKORFVSFDTMHO-IBGZPJMESA-N	-1	3	450.332	5.092	50	30		JKEAHM
COc1ccc(OC)c([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)c1	ZINC000100455283	569761504	/nfs/dbraw/zinc/76/15/04/569761504.db2.gz	YXHXUNJHUDXDCQ-ZHHPLPSFSA-N	-1	3	463.917	5.292	50	30		JKEAHM
COc1ccc(-c2nc3cc(/N=C/c4c([O-])cc(C)c(Cl)c4C)ccc3o2)cc1Br	ZINC000100501304	569762701	/nfs/dbraw/zinc/76/27/01/569762701.db2.gz	UPEKROBWTIFBBJ-KBKYJPHKSA-N	-1	3	485.765	6.992	50	30		JKEAHM
CCOc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccc(CC)cc4)nc3c2)c1[O-]	ZINC000100503687	569762936	/nfs/dbraw/zinc/76/29/36/569762936.db2.gz	FBISQEWGLGAGLS-VULFUBBASA-N	-1	3	465.347	6.675	50	30		JKEAHM
CC1(C)CC2=C(Sc3ccccc3N2)C([O-])=C1C(=O)C(=O)Nc1cc(Cl)ccc1Cl	ZINC000100721851	569767743	/nfs/dbraw/zinc/76/77/43/569767743.db2.gz	HWTOLSWCHKVEEN-KRWDZBQOSA-N	-1	3	461.370	5.546	50	30		JKEAHM
Cc1cccc(C(C)C)c1NC(=O)C(=O)C=C([O-])c1cccc(NC2=CC(=O)C(=O)c3ccccc32)c1	ZINC000100742031	569768411	/nfs/dbraw/zinc/76/84/11/569768411.db2.gz	UAHBETAHXMUHGX-UHFFFAOYSA-N	-1	3	494.547	5.117	50	30		JKEAHM
CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(NC=CC(=O)c3ccc(Cl)c(Cl)c3)cc2)c1	ZINC000100789713	569770043	/nfs/dbraw/zinc/77/00/43/569770043.db2.gz	QLAIDSLYTLUKKU-QXMHVHEDSA-N	-1	3	489.380	5.805	50	30		JKEAHM
O=C1c2ccccc2C([N-]S(=O)(=O)c2cccs2)=CC1=Nc1cc(Cl)ccc1Cl	ZINC000100822455	569771588	/nfs/dbraw/zinc/77/15/88/569771588.db2.gz	QCQGXLAQZJBMEG-JLPGSUDCSA-N	-1	3	463.367	5.425	50	30		JKEAHM
CCCCCCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccc([O-])c3)C2=O)cc1	ZINC000100856032	569772520	/nfs/dbraw/zinc/77/25/20/569772520.db2.gz	FXWZMAFMEILMMV-JWGURIENSA-N	-1	3	484.643	5.678	50	30		JKEAHM
Cc1cc(C)c(N=C2C=C([N-]S(=O)(=O)c3cccc4cccnc43)c3ccccc3C2=O)c(C)c1	ZINC000100919167	569775775	/nfs/dbraw/zinc/77/57/75/569775775.db2.gz	AKKWQAIMXMRSSH-SXBRIOAWSA-N	-1	3	481.577	5.530	50	30		JKEAHM
CCCCCCCCCCCCCCCCOc1cccc(C(=O)Nc2ccc(N)cc2[O-])c1	ZINC000101016698	569779425	/nfs/dbraw/zinc/77/94/25/569779425.db2.gz	GBUSOGAPHGKKOT-UHFFFAOYSA-N	-1	3	468.682	8.087	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000101072645	569781453	/nfs/dbraw/zinc/78/14/53/569781453.db2.gz	OHZSTCRZCLQIST-MOBKVPTQSA-N	-1	3	462.343	5.692	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(C)cc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000101072645	569781454	/nfs/dbraw/zinc/78/14/54/569781454.db2.gz	OHZSTCRZCLQIST-MOBKVPTQSA-N	-1	3	462.343	5.692	50	30		JKEAHM
Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(C(=O)c3ccccc3)C(=O)c3ccccc3)c2)cc1	ZINC000101109290	569783122	/nfs/dbraw/zinc/78/31/22/569783122.db2.gz	MRPGNTBZVTUVNN-RQZHXJHFSA-N	-1	3	485.561	5.811	50	30		JKEAHM
C=CCOc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000101294515	569789998	/nfs/dbraw/zinc/78/99/98/569789998.db2.gz	AEOUWHRTNSNYLY-HOGKFDNTSA-N	-1	3	488.590	5.857	50	30		JKEAHM
C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4ccccc4c3)C(=O)C(=O)N2c2cc(C)on2)c1	ZINC000101313981	569792380	/nfs/dbraw/zinc/79/23/80/569792380.db2.gz	LAJZFQBDPJUKPV-IUKMQXEJSA-N	-1	3	466.493	5.327	50	30		JKEAHM
CS/C(=N\c1ccccc1)N/N=C/c1cc(C)cc(/C=N/N[C@@H](Nc2ccccc2)SC)c1[O-]	ZINC000038166814	569799843	/nfs/dbraw/zinc/79/98/43/569799843.db2.gz	CQSBUOCVPAJYGX-XOTAUVTDSA-N	-1	3	492.674	5.357	50	30		JKEAHM
CCCCCCCCCCCCS(=O)(=O)[N-]/N=C(/c1ccccc1Cl)N1CCOCC1	ZINC000102145239	569810236	/nfs/dbraw/zinc/81/02/36/569810236.db2.gz	WOGJMTKQSBHVJL-BZZOAKBMSA-N	-1	3	472.095	5.174	50	30		JKEAHM
Cc1cccc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2cccc(Oc3ccccc3)c2)n1	ZINC000102856776	569824568	/nfs/dbraw/zinc/82/45/68/569824568.db2.gz	ZTVUDJRBZSSKLH-SBXHHDGASA-N	-1	3	468.534	5.870	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)cc1OC	ZINC000102865528	569825563	/nfs/dbraw/zinc/82/55/63/569825563.db2.gz	MEBBSVOCNDZUJP-ZHHPLPSFSA-N	-1	3	486.549	5.248	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102874082	569826106	/nfs/dbraw/zinc/82/61/06/569826106.db2.gz	BOXQOZQBSQZYGL-BUANBSPESA-N	-1	3	488.540	5.687	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1	ZINC000102873940	569826148	/nfs/dbraw/zinc/82/61/48/569826148.db2.gz	KGZUFTDTFQZXMA-HFEWCJDKSA-N	-1	3	485.521	5.448	50	30		JKEAHM
COc1ccccc1[C@H]1C(=C([O-])c2ccc(F)cc2)C(=O)C(=O)N1c1nc2ccc(C)cc2s1	ZINC000102874826	569826325	/nfs/dbraw/zinc/82/63/25/569826325.db2.gz	GDCAIZYMFFCROB-MOBKVPTQSA-N	-1	3	474.513	5.379	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102875793	569826412	/nfs/dbraw/zinc/82/64/12/569826412.db2.gz	DXBDLTNNHAQFEW-HFEWCJDKSA-N	-1	3	474.538	5.449	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccc(C)cc3)sc2c1	ZINC000102876292	569826560	/nfs/dbraw/zinc/82/65/60/569826560.db2.gz	HTCZOPKWYZMJKR-SBXHHDGASA-N	-1	3	484.577	5.938	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000102929477	569827742	/nfs/dbraw/zinc/82/77/42/569827742.db2.gz	IOBHGKJENJVUDB-ZZIWUOEGSA-N	-1	3	468.578	6.156	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000102929477	569827743	/nfs/dbraw/zinc/82/77/43/569827743.db2.gz	IOBHGKJENJVUDB-ZZIWUOEGSA-N	-1	3	468.578	6.156	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2)cc1	ZINC000102929762	569827906	/nfs/dbraw/zinc/82/79/06/569827906.db2.gz	AYTDPVWIHNMCMK-BUANBSPESA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2)cc1	ZINC000102929762	569827907	/nfs/dbraw/zinc/82/79/07/569827907.db2.gz	AYTDPVWIHNMCMK-BUANBSPESA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102930394	569828048	/nfs/dbraw/zinc/82/80/48/569828048.db2.gz	HQJGLAQTORUYTL-NHFXJNLRSA-N	-1	3	462.552	5.301	50	30		JKEAHM
Cc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102930903	569828255	/nfs/dbraw/zinc/82/82/55/569828255.db2.gz	CVQLEJBKECUKBG-MOBKVPTQSA-N	-1	3	458.514	5.679	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000102931316	569828479	/nfs/dbraw/zinc/82/84/79/569828479.db2.gz	YOBBYNSMQXJTOK-ZHHPLPSFSA-N	-1	3	486.549	5.248	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC	ZINC000102931926	569828607	/nfs/dbraw/zinc/82/86/07/569828607.db2.gz	GAMSXWJMNNCKEN-ZHHPLPSFSA-N	-1	3	486.549	5.248	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(OC)c2)cc1	ZINC000102932148	569828831	/nfs/dbraw/zinc/82/88/31/569828831.db2.gz	YCURDDZOYMNJEO-AYWGPLOBSA-N	-1	3	486.549	5.248	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3cccc(OC)c3)sc2c1	ZINC000102932429	569828900	/nfs/dbraw/zinc/82/89/00/569828900.db2.gz	YQUIKXYQJMHPDQ-AYWGPLOBSA-N	-1	3	486.549	5.330	50	30		JKEAHM
COc1cccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000102932831	569829066	/nfs/dbraw/zinc/82/90/66/569829066.db2.gz	CAXUNLQQLRRLCY-AYWGPLOBSA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000102932831	569829067	/nfs/dbraw/zinc/82/90/67/569829067.db2.gz	CAXUNLQQLRRLCY-AYWGPLOBSA-N	-1	3	470.550	5.548	50	30		JKEAHM
[O-]c1cc(O)ccc1/C=N/N=c1/scc(-c2ccc(Br)cc2)n1-c1ccccc1	ZINC000103526714	569835749	/nfs/dbraw/zinc/83/57/49/569835749.db2.gz	NPRXHBBXQLQTFF-SPKSAGFJSA-N	-1	3	466.360	5.314	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])C=Cc3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)cc1OC	ZINC000104141144	569842000	/nfs/dbraw/zinc/84/20/00/569842000.db2.gz	YQWHJJQFNQTAEX-CCJJVKHUSA-N	-1	3	455.510	5.195	50	30		JKEAHM
O=C([N-]c1nc2ccccc2n1Cc1ccccc1)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F	ZINC000135784232	569864452	/nfs/dbraw/zinc/86/44/52/569864452.db2.gz	UMCMVWXLWKKKBL-LJQANCHMSA-N	-1	3	497.317	5.218	50	30		JKEAHM
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C(=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1	ZINC000169617380	569868305	/nfs/dbraw/zinc/86/83/05/569868305.db2.gz	MLPGAKGZEUFMJF-AXDNEVSASA-N	-1	3	468.510	5.323	50	30		JKEAHM
COc1cc(Br)cc(C=Nc2cccc(-c3nc4cc(C)ccc4o3)c2C)c1[O-]	ZINC000252600763	570084998	/nfs/dbraw/zinc/08/49/98/570084998.db2.gz	DUOWYLGNFSCRKH-UHFFFAOYSA-N	-1	3	451.320	6.339	50	30		JKEAHM
CCOc1ccc(C=Nc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(OC)cc3)cc2)c([O-])c1	ZINC000252600696	570085008	/nfs/dbraw/zinc/08/50/08/570085008.db2.gz	DSWGDKOWXNTTIL-SSEXGKCCSA-N	-1	3	491.591	6.906	50	30		JKEAHM
COc1ccccc1NC(=O)CSc1nc2ccc(N=Cc3c([O-])ccc4ccccc43)cc2s1	ZINC000252616596	570086670	/nfs/dbraw/zinc/08/66/70/570086670.db2.gz	KBMCUDIZXSLILK-UHFFFAOYSA-N	-1	3	499.617	6.645	50	30		JKEAHM
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C(=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1	ZINC000252620756	570087154	/nfs/dbraw/zinc/08/71/54/570087154.db2.gz	MLPGAKGZEUFMJF-GTCCEBARSA-N	-1	3	468.510	5.323	50	30		JKEAHM
CC(=CN=Nc1nc([N-]c2ccc([N+](=O)[O-])cc2)nc(NCc2ccccc2)n1)Cc1ccccc1	ZINC000252625547	570088250	/nfs/dbraw/zinc/08/82/50/570088250.db2.gz	QMJSRBFBIAIWFJ-VPKMNEGTSA-N	-1	3	480.532	5.637	50	30		JKEAHM
CCOc1cc(Br)cc(C=Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)c1[O-]	ZINC000252628297	570088776	/nfs/dbraw/zinc/08/87/76/570088776.db2.gz	SNADGDZNWUFUOY-UHFFFAOYSA-N	-1	3	485.765	7.074	50	30		JKEAHM
COc1cc(Br)c([O-])c(/C=C2\SC(=Nc3ccc(Cl)cc3)N(C)C2=O)c1	ZINC000252628889	570088865	/nfs/dbraw/zinc/08/88/65/570088865.db2.gz	TTYXAINYDCNIHC-KURFGLPPSA-N	-1	3	453.745	5.051	50	30		JKEAHM
Cc1ccc2nc(-c3ccc(N=Cc4c5c(cc(C(C)(C)C)c4[O-])oc4c5CCCC4)cc3)sc2c1	ZINC000252633846	570089650	/nfs/dbraw/zinc/08/96/50/570089650.db2.gz	WHEMLWRIARLKEJ-UHFFFAOYSA-N	-1	3	494.660	8.650	50	30		JKEAHM
CCCCCCOc1ccc(C(CCCC(=NO)c2ccc(OCCCCCC)cc2)=N[O-])cc1	ZINC000252635903	570089888	/nfs/dbraw/zinc/08/98/88/570089888.db2.gz	XBKWCUGGYSPRAN-UHFFFAOYSA-N	-1	3	482.665	7.832	50	30		JKEAHM
O=C(CSc1nc2ccc(N=Cc3c([O-])ccc4ccccc43)cc2s1)NC1CCCCC1	ZINC000252640044	570090329	/nfs/dbraw/zinc/09/03/29/570090329.db2.gz	YPZCCWXBIVAVDK-UHFFFAOYSA-N	-1	3	475.639	6.447	50	30		JKEAHM
Cc1cc(-c2nc3ccccc3o2)ccc1N=Cc1c(C)c([O-])n2c3ccccc3nc2c1C#N	ZINC000252639503	570090351	/nfs/dbraw/zinc/09/03/51/570090351.db2.gz	YKTLZUMUOIUHFK-UHFFFAOYSA-N	-1	3	457.493	6.240	50	30		JKEAHM
COc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)N(C)C2=O)cc(Br)c1[O-]	ZINC000252641579	570090411	/nfs/dbraw/zinc/09/04/11/570090411.db2.gz	ZFDGPFAOCUJQBX-OEMMCLACSA-N	-1	3	453.745	5.051	50	30		JKEAHM
COc1cc(-c2nc3ccccn3c2N=Cc2cc(Br)ccc2OC(C)C)ccc1[O-]	ZINC000252643575	570090632	/nfs/dbraw/zinc/09/06/32/570090632.db2.gz	ZWLOMZXFVWWQBC-UHFFFAOYSA-N	-1	3	480.362	6.016	50	30		JKEAHM
CCOc1cc(-c2nc3ccccn3c2N=Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)ccc1[O-]	ZINC000252643483	570090646	/nfs/dbraw/zinc/09/06/46/570090646.db2.gz	ZUZNQOQSVNUUCF-UHFFFAOYSA-N	-1	3	498.495	6.033	50	30		JKEAHM
Cc1ccc(OP(=O)(N=NCc2cc(Br)ccc2[O-])Oc2ccc(C)cc2)cc1	ZINC000263621570	570173724	/nfs/dbraw/zinc/17/37/24/570173724.db2.gz	IIRSGKDCZHIUGI-UHFFFAOYSA-N	-1	3	475.279	5.961	50	30		JKEAHM
N#Cc1c(Cl)cccc1Oc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)cc1	ZINC000001033510	194006148	/nfs/dbraw/zinc/00/61/48/194006148.db2.gz	AZFRJZFBJXGHHK-UHFFFAOYSA-N	-1	3	467.978	5.795	50	30		JKEAHM
COc1cccc(-c2cc(C(F)(F)F)n3nc(C(=O)[N-]c4sc5c(c4C#N)CCCC5)cc3n2)c1	ZINC000001056862	194011161	/nfs/dbraw/zinc/01/11/61/194011161.db2.gz	HRMGWMUZTGOJJZ-UHFFFAOYSA-N	-1	3	497.502	5.488	50	30		JKEAHM
COc1cccc(-c2cc(C(F)(F)F)n3nc(C(=O)[N-]c4sc5c(c4C#N)CCC5)cc3n2)c1	ZINC000001059502	194012007	/nfs/dbraw/zinc/01/20/07/194012007.db2.gz	XUWDAQMHXKBKGK-UHFFFAOYSA-N	-1	3	483.475	5.098	50	30		JKEAHM
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC(=S)[N-]c1sc2c(c1C#N)CCCC2	ZINC000002316409	194159509	/nfs/dbraw/zinc/15/95/09/194159509.db2.gz	ZJUSXZVMLXZJDW-UHFFFAOYSA-N	-1	3	491.425	5.896	50	30		JKEAHM
C[C@@H](NC(=O)CSc1nc2ccc(/N=C/c3cc(Cl)ccc3[O-])cc2s1)c1ccccc1	ZINC000003094815	194225116	/nfs/dbraw/zinc/22/51/16/194225116.db2.gz	YEBNAHISHOMVCF-PBEVGHANSA-N	-1	3	482.030	6.375	50	30		JKEAHM
COc1cc(Br)c(Br)c(/C=N/c2ccc(Cl)c(Cl)c2)c1[O-]	ZINC000003113569	194227186	/nfs/dbraw/zinc/22/71/86/194227186.db2.gz	XRJHEJMGRHNIQS-KPSZGOFPSA-N	-1	3	453.945	5.983	50	30		JKEAHM
COc1cc(Br)cc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c1[O-]	ZINC000003113144	194227263	/nfs/dbraw/zinc/22/72/63/194227263.db2.gz	VDWHMXRKCQDDEC-KIBLKLHPSA-N	-1	3	492.156	7.029	50	30		JKEAHM
Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[N-]c4sc5c(c4C#N)CC[C@H](C)C5)cc3n2)cc1	ZINC000003629495	194343911	/nfs/dbraw/zinc/34/39/11/194343911.db2.gz	UEIKTPTWYSVQFV-AWEZNQCLSA-N	-1	3	495.530	6.034	50	30		JKEAHM
Cc1ccc(NC(=O)CSc2nc3ccc(/N=C/c4cc(Cl)ccc4[O-])cc3s2)c(C)c1	ZINC000003663354	194355809	/nfs/dbraw/zinc/35/58/09/194355809.db2.gz	RCSPGPQYFUSPJV-RPPGKUMJSA-N	-1	3	482.030	6.754	50	30		JKEAHM
O=[N+]([O-])c1ccc(CSc2nc3ccc(/N=C/c4c([O-])ccc5ccccc54)cc3s2)cc1	ZINC000003667264	194357254	/nfs/dbraw/zinc/35/72/54/194357254.db2.gz	SHYIUESSEWQUAQ-VULFUBBASA-N	-1	3	471.563	7.106	50	30		JKEAHM
CCOc1ccc(N2C(=O)C([O-])=C(C(=O)C=Cc3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000096451900	130083720	/nfs/dbraw/zinc/08/37/20/130083720.db2.gz	LKTSMSRCMUFBRC-XAJMEMKASA-N	-1	3	470.481	5.176	50	30		JKEAHM
CCOc1ccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000096451900	130083724	/nfs/dbraw/zinc/08/37/24/130083724.db2.gz	LKTSMSRCMUFBRC-XAJMEMKASA-N	-1	3	470.481	5.176	50	30		JKEAHM
CCOc1ccc(N2C(=O)C([O-])=C(C(=O)C=Cc3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000096451901	130083833	/nfs/dbraw/zinc/08/38/33/130083833.db2.gz	LKTSMSRCMUFBRC-CVYRBCPQSA-N	-1	3	470.481	5.176	50	30		JKEAHM
CCOc1ccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000096451901	130083837	/nfs/dbraw/zinc/08/38/37/130083837.db2.gz	LKTSMSRCMUFBRC-CVYRBCPQSA-N	-1	3	470.481	5.176	50	30		JKEAHM
CCCCCCCCOC(=O)CSc1nc2ccc(/N=C/c3ccccc3[O-])cc2s1	ZINC000102295909	130118515	/nfs/dbraw/zinc/11/85/15/130118515.db2.gz	FNZCFIYBPITRFA-PCLIKHOPSA-N	-1	3	456.633	6.748	50	30		JKEAHM
Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC(C)C)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)s1	ZINC000102368618	130121996	/nfs/dbraw/zinc/12/19/96/130121996.db2.gz	CQRDVTOOXCRKHV-HOGKFDNTSA-N	-1	3	491.613	5.558	50	30		JKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(C(C)C)cc2)no1	ZINC000102369342	130124156	/nfs/dbraw/zinc/12/41/56/130124156.db2.gz	HMEAAQVTTGFBDC-NXLSWJSLSA-N	-1	3	460.530	5.520	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(Cl)cc3)sc2c1	ZINC000102483787	130137389	/nfs/dbraw/zinc/13/73/89/130137389.db2.gz	LYASMHBMVBBCCT-JBCNATCCSA-N	-1	3	460.942	5.884	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102488186	130142064	/nfs/dbraw/zinc/14/20/64/130142064.db2.gz	XCRZYVOYEBSMMR-HOGKFDNTSA-N	-1	3	490.968	5.893	50	30		JKEAHM
CCCOc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102498747	130152436	/nfs/dbraw/zinc/15/24/36/130152436.db2.gz	UUYOIECOKLLEID-KQAPWQHSSA-N	-1	3	498.604	6.328	50	30		JKEAHM
CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102498747	130152439	/nfs/dbraw/zinc/15/24/39/130152439.db2.gz	UUYOIECOKLLEID-KQAPWQHSSA-N	-1	3	498.604	6.328	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC	ZINC000102501204	130155452	/nfs/dbraw/zinc/15/54/52/130155452.db2.gz	KCIBFHDPJBZZTB-MRJHHRETSA-N	-1	3	492.578	5.310	50	30		JKEAHM
CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102504200	130158281	/nfs/dbraw/zinc/15/82/81/130158281.db2.gz	RJJHOCTVQYEMBY-NPJIAGGLSA-N	-1	3	456.542	5.620	50	30		JKEAHM
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102504200	130158285	/nfs/dbraw/zinc/15/82/85/130158285.db2.gz	RJJHOCTVQYEMBY-NPJIAGGLSA-N	-1	3	456.542	5.620	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102505136	130159135	/nfs/dbraw/zinc/15/91/35/130159135.db2.gz	AZKXKTNNOBSCNT-SBXHHDGASA-N	-1	3	468.578	6.354	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102505136	130159137	/nfs/dbraw/zinc/15/91/37/130159137.db2.gz	AZKXKTNNOBSCNT-SBXHHDGASA-N	-1	3	468.578	6.354	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102505785	130160040	/nfs/dbraw/zinc/16/00/40/130160040.db2.gz	SEMJFJNZNHSNPR-SBXHHDGASA-N	-1	3	468.578	6.354	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102505785	130160043	/nfs/dbraw/zinc/16/00/43/130160043.db2.gz	SEMJFJNZNHSNPR-SBXHHDGASA-N	-1	3	468.578	6.354	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102508155	130162504	/nfs/dbraw/zinc/16/25/04/130162504.db2.gz	LREIKPQMWGBXQI-SBXHHDGASA-N	-1	3	486.568	6.494	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C)cc2)o1	ZINC000102515401	130168752	/nfs/dbraw/zinc/16/87/52/130168752.db2.gz	DWDLLROLBCRAQP-IAMBOQNYSA-N	-1	3	458.539	5.749	50	30		JKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2ccc(C(C)C)cc2)sc1C	ZINC000102519091	130171693	/nfs/dbraw/zinc/17/16/93/130171693.db2.gz	SSTGTTKXQYWBSJ-JBCNATCCSA-N	-1	3	450.535	5.649	50	30		JKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@@H]2c2ccc(C(C)C)cc2)sc1C	ZINC000102519101	130171802	/nfs/dbraw/zinc/17/18/02/130171802.db2.gz	SSTGTTKXQYWBSJ-MRJHHRETSA-N	-1	3	450.535	5.649	50	30		JKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2ccc(Br)cc2)sc1C	ZINC000102526908	130179118	/nfs/dbraw/zinc/17/91/18/130179118.db2.gz	ULEGJXANYXISFY-WOOAAIBNSA-N	-1	3	483.387	5.457	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(Cl)c2)cc1	ZINC000102527422	130179516	/nfs/dbraw/zinc/17/95/16/130179516.db2.gz	BRXPEFJKXVSMBN-MOBKVPTQSA-N	-1	3	474.969	6.193	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3cccc(OC)c3)sc2c1	ZINC000102527596	130179988	/nfs/dbraw/zinc/17/99/88/130179988.db2.gz	MMXIKDJMJWANJY-ZHHPLPSFSA-N	-1	3	486.549	5.248	50	30		JKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)no1	ZINC000102528587	130181471	/nfs/dbraw/zinc/18/14/71/130181471.db2.gz	WIBNXVLKGMDJKY-NPJIAGGLSA-N	-1	3	466.493	5.710	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccccc3F)nc2c(C)c1	ZINC000102540104	130195117	/nfs/dbraw/zinc/19/51/17/130195117.db2.gz	HVUKGQYEWQPYPR-HFEWCJDKSA-N	-1	3	458.514	5.679	50	30		JKEAHM
Cc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102552945	130204692	/nfs/dbraw/zinc/20/46/92/130204692.db2.gz	SOQNORTZPIAHOJ-NXLSWJSLSA-N	-1	3	498.560	5.311	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3)nc2c(C)c1	ZINC000102554838	130205587	/nfs/dbraw/zinc/20/55/87/130205587.db2.gz	UEVSZZODYLOIMM-UVDRRRQGSA-N	-1	3	498.560	5.311	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(I)cc3)[C@@H]2c2ccccc2)cc1	ZINC000102575727	130215511	/nfs/dbraw/zinc/21/55/11/130215511.db2.gz	CUPJBVFZVXTRFA-JBCNATCCSA-N	-1	3	495.316	5.226	50	30		JKEAHM
CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nccs2)c1	ZINC000102615747	130224660	/nfs/dbraw/zinc/22/46/60/130224660.db2.gz	UTLLKIJOEKLOEC-FIMCBBJJSA-N	-1	3	490.581	5.272	50	30		JKEAHM
CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nccs2)cc1	ZINC000102621388	130225679	/nfs/dbraw/zinc/22/56/79/130225679.db2.gz	CJNVVCCGQFGFCD-NYSCORLISA-N	-1	3	460.555	5.216	50	30		JKEAHM
CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nccs2)c1	ZINC000102678048	130235955	/nfs/dbraw/zinc/23/59/55/130235955.db2.gz	UTLLKIJOEKLOEC-KZVIGXRYSA-N	-1	3	490.581	5.272	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C	ZINC000102695786	130241947	/nfs/dbraw/zinc/24/19/47/130241947.db2.gz	JQIYBVMWJYBVSF-AYWGPLOBSA-N	-1	3	460.530	5.224	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C	ZINC000102695786	130241949	/nfs/dbraw/zinc/24/19/49/130241949.db2.gz	JQIYBVMWJYBVSF-AYWGPLOBSA-N	-1	3	460.530	5.224	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@@H]3c3cccs3)sc2c1	ZINC000102702729	130248162	/nfs/dbraw/zinc/24/81/62/130248162.db2.gz	SUBLYHJHJQVLLX-MRJHHRETSA-N	-1	3	492.578	5.310	50	30		JKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc4ccccc4c3)[C@H]2c2ccc(C(C)C)cc2)no1	ZINC000102711930	130258632	/nfs/dbraw/zinc/25/86/32/130258632.db2.gz	JMUMDAHDFZZFRG-NPJIAGGLSA-N	-1	3	452.510	5.886	50	30		JKEAHM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccc(C(C)C)cc2)no1	ZINC000102711930	130258635	/nfs/dbraw/zinc/25/86/35/130258635.db2.gz	JMUMDAHDFZZFRG-NPJIAGGLSA-N	-1	3	452.510	5.886	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2)cc1C	ZINC000102715141	130261193	/nfs/dbraw/zinc/26/11/93/130261193.db2.gz	BFIQYOSGVUWKNN-ZZIWUOEGSA-N	-1	3	484.577	5.856	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2)cc1C	ZINC000102715141	130261196	/nfs/dbraw/zinc/26/11/96/130261196.db2.gz	BFIQYOSGVUWKNN-ZZIWUOEGSA-N	-1	3	484.577	5.856	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccnc3)nc2c(C)c1	ZINC000102771491	130296642	/nfs/dbraw/zinc/29/66/42/130296642.db2.gz	QYCZYEHRMLCEJE-WVAYUJLMSA-N	-1	3	497.576	5.258	50	30		JKEAHM
C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccccc3)ccc2O1	ZINC000102771413	130296651	/nfs/dbraw/zinc/29/66/51/130296651.db2.gz	UADQZKWQXMXLLK-CSVYKXDMSA-N	-1	3	486.524	5.385	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102799152	130307534	/nfs/dbraw/zinc/30/75/34/130307534.db2.gz	FRZBTNXWWOMJBT-HOGKFDNTSA-N	-1	3	456.523	5.240	50	30		JKEAHM
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102799152	130307538	/nfs/dbraw/zinc/30/75/38/130307538.db2.gz	FRZBTNXWWOMJBT-HOGKFDNTSA-N	-1	3	456.523	5.240	50	30		JKEAHM
COc1ccccc1[C@H]1C(=C([O-])c2ccc(C)cc2)C(=O)C(=O)N1c1nc2ccc(F)cc2s1	ZINC000102800248	130309618	/nfs/dbraw/zinc/30/96/18/130309618.db2.gz	ZFVFBRPLMIHCTG-MOBKVPTQSA-N	-1	3	474.513	5.379	50	30		JKEAHM
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2[N+](=O)[O-])C1=C([O-])C=Cc1ccccc1	ZINC000102800698	130310054	/nfs/dbraw/zinc/31/00/54/130310054.db2.gz	UQKVLNBJRDQFOY-SJNBJEQYSA-N	-1	3	494.425	5.796	50	30		JKEAHM
O=C(C=Cc1ccccc1)C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000102800698	130310058	/nfs/dbraw/zinc/31/00/58/130310058.db2.gz	UQKVLNBJRDQFOY-SJNBJEQYSA-N	-1	3	494.425	5.796	50	30		JKEAHM
COc1ccccc1[C@@H]1C(=C([O-])c2cccs2)C(=O)C(=O)N1c1nc2ccc(C)cc2s1	ZINC000102859027	130329518	/nfs/dbraw/zinc/32/95/18/130329518.db2.gz	GPKZMRMAPWARKL-YDJIHCHBSA-N	-1	3	462.552	5.301	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1	ZINC000102860094	130330577	/nfs/dbraw/zinc/33/05/77/130330577.db2.gz	NPOBVZPXEWTCDK-QKJBWNOYSA-N	-1	3	496.632	6.837	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1	ZINC000102860094	130330584	/nfs/dbraw/zinc/33/05/84/130330584.db2.gz	NPOBVZPXEWTCDK-QKJBWNOYSA-N	-1	3	496.632	6.837	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)c(OC)c1	ZINC000102865556	130338201	/nfs/dbraw/zinc/33/82/01/130338201.db2.gz	VZSIAGNFWGEJIS-AYWGPLOBSA-N	-1	3	486.549	5.248	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000102875012	130346864	/nfs/dbraw/zinc/34/68/64/130346864.db2.gz	UEGOOWSSRFBBPK-QKJBWNOYSA-N	-1	3	498.604	6.247	50	30		JKEAHM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000102875012	130346872	/nfs/dbraw/zinc/34/68/72/130346872.db2.gz	UEGOOWSSRFBBPK-QKJBWNOYSA-N	-1	3	498.604	6.247	50	30		JKEAHM
COc1cccc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1	ZINC000102876544	130348719	/nfs/dbraw/zinc/34/87/19/130348719.db2.gz	IHWXZXLNASJYMP-IAMBOQNYSA-N	-1	3	474.538	5.449	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3cccc(Cl)c3)nc2c(C)c1	ZINC000102876663	130349419	/nfs/dbraw/zinc/34/94/19/130349419.db2.gz	FAZNBSHXVYFSMG-IAMBOQNYSA-N	-1	3	474.969	6.193	50	30		JKEAHM
CCOc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102876857	130349428	/nfs/dbraw/zinc/34/94/28/130349428.db2.gz	VHQLJXGOUGTVAK-UVDRRRQGSA-N	-1	3	484.577	5.938	50	30		JKEAHM
CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102876857	130349429	/nfs/dbraw/zinc/34/94/29/130349429.db2.gz	VHQLJXGOUGTVAK-UVDRRRQGSA-N	-1	3	484.577	5.938	50	30		JKEAHM
COc1ccccc1[C@H]1C(=C([O-])c2cccs2)C(=O)C(=O)N1c1nc2c(cc(C)cc2C)s1	ZINC000102877666	130351019	/nfs/dbraw/zinc/35/10/19/130351019.db2.gz	FEVOMRHVUPYPOJ-PGVNHDJNSA-N	-1	3	476.579	5.610	50	30		JKEAHM
COc1ccccc1[C@H]1C(=C([O-])c2ccc(C)o2)C(=O)C(=O)N1c1nc2c(cc(C)cc2C)s1	ZINC000102878866	130353279	/nfs/dbraw/zinc/35/32/79/130353279.db2.gz	AVSKRZCLTXMKQY-HFEWCJDKSA-N	-1	3	474.538	5.449	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102879857	130355105	/nfs/dbraw/zinc/35/51/05/130355105.db2.gz	GSQRSFCZXKZBKG-DHJMZRGKSA-N	-1	3	496.632	6.971	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102879857	130355107	/nfs/dbraw/zinc/35/51/07/130355107.db2.gz	GSQRSFCZXKZBKG-DHJMZRGKSA-N	-1	3	496.632	6.971	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102880160	130355678	/nfs/dbraw/zinc/35/56/78/130355678.db2.gz	UQACDYIHDLLJON-MOBKVPTQSA-N	-1	3	462.571	5.518	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102880160	130355683	/nfs/dbraw/zinc/35/56/83/130355683.db2.gz	UQACDYIHDLLJON-MOBKVPTQSA-N	-1	3	462.571	5.518	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000102880803	130356923	/nfs/dbraw/zinc/35/69/23/130356923.db2.gz	ZBUJNNMUPNNJGB-ZHHPLPSFSA-N	-1	3	486.549	5.248	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(Cl)cc3)nc2c(C)c1	ZINC000102881556	130358638	/nfs/dbraw/zinc/35/86/38/130358638.db2.gz	LJRKWLFCSXAOTC-HFEWCJDKSA-N	-1	3	474.969	6.193	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(F)cc2)cc1	ZINC000102883400	130363900	/nfs/dbraw/zinc/36/39/00/130363900.db2.gz	GPLQNRSKCAGGNW-MOBKVPTQSA-N	-1	3	458.514	5.679	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000102883405	130363955	/nfs/dbraw/zinc/36/39/55/130363955.db2.gz	GPLQNRSKCAGGNW-HOGKFDNTSA-N	-1	3	458.514	5.679	50	30		JKEAHM
CCOc1ccc([C@H]2C(=C([O-])c3ccc4ccccc4c3)C(=O)C(=O)N2c2cc(C)on2)cc1	ZINC000102892239	130374122	/nfs/dbraw/zinc/37/41/22/130374122.db2.gz	PEGBKCHFGVNBNT-NXLSWJSLSA-N	-1	3	454.482	5.161	50	30		JKEAHM
CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102925168	130395447	/nfs/dbraw/zinc/39/54/47/130395447.db2.gz	AHLKQCIRKFIPCD-NPJIAGGLSA-N	-1	3	470.569	5.794	50	30		JKEAHM
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102925168	130395448	/nfs/dbraw/zinc/39/54/48/130395448.db2.gz	AHLKQCIRKFIPCD-NPJIAGGLSA-N	-1	3	470.569	5.794	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102925448	130396006	/nfs/dbraw/zinc/39/60/06/130396006.db2.gz	UGCUQDFAOPVILW-AYWGPLOBSA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102925448	130396009	/nfs/dbraw/zinc/39/60/09/130396009.db2.gz	UGCUQDFAOPVILW-AYWGPLOBSA-N	-1	3	470.550	5.548	50	30		JKEAHM
O=C(C1=C([O-])C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	ZINC000102928205	130401402	/nfs/dbraw/zinc/40/14/02/130401402.db2.gz	FEZNWETVHAQXRK-BCHZJAEDSA-N	-1	3	466.748	5.248	50	30		JKEAHM
C/C(=N\OCc1nc2ccccc2c(=O)n1/N=C/c1c([O-])ccc2ccccc21)c1ccccc1	ZINC000013551244	518472686	/nfs/dbraw/zinc/47/26/86/518472686.db2.gz	YHONIZJNESTTDN-LJCARYFOSA-N	-1	3	462.509	5.078	50	30		JKEAHM
C=CCOc1ccc(CN(C)C(=O)/C=C/c2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1	ZINC000009514359	519029827	/nfs/dbraw/zinc/02/98/27/519029827.db2.gz	SSFCUJBXLMPSPJ-SFQUDFHCSA-N	-1	3	497.016	5.377	50	30		JKEAHM
C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4ccccc4c3)C(=O)C(=O)N2c2cc(C)on2)c1	ZINC000009350627	519059361	/nfs/dbraw/zinc/05/93/61/519059361.db2.gz	WZVBFTGZFFDJDE-RUZDIDTESA-N	-1	3	466.493	5.484	50	30		JKEAHM
C=CCOc1cccc([C@H]2C(=C([O-])c3ccc4ccccc4c3)C(=O)C(=O)N2c2cc(C)on2)c1	ZINC000009413341	519062556	/nfs/dbraw/zinc/06/25/56/519062556.db2.gz	WZVBFTGZFFDJDE-VWLOTQADSA-N	-1	3	466.493	5.484	50	30		JKEAHM
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C(=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1	ZINC000048860862	519803210	/nfs/dbraw/zinc/80/32/10/519803210.db2.gz	MLPGAKGZEUFMJF-PKTXEOBVSA-N	-1	3	468.510	5.323	50	30		JKEAHM
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)C(=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1	ZINC000048860866	519803297	/nfs/dbraw/zinc/80/32/97/519803297.db2.gz	MLPGAKGZEUFMJF-BCAMDDAVSA-N	-1	3	468.510	5.323	50	30		JKEAHM
CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nccs2)cc1	ZINC000009243486	519839410	/nfs/dbraw/zinc/83/94/10/519839410.db2.gz	AINARQNJEZXNIP-OYHNWAKOSA-N	-1	3	460.555	5.373	50	30		JKEAHM
CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nccs2)cc1	ZINC000009243485	519839536	/nfs/dbraw/zinc/83/95/36/519839536.db2.gz	AINARQNJEZXNIP-IVZQSRNASA-N	-1	3	460.555	5.373	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)C1[C@H]2c1cc(Br)ccc1[O-]	ZINC000006015219	520256802	/nfs/dbraw/zinc/25/68/02/520256802.db2.gz	MPCAZQCVJGAEFT-IBGZPJMESA-N	-1	3	450.332	5.667	50	30		JKEAHM
CCCCCOc1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1	ZINC000009087717	520257473	/nfs/dbraw/zinc/25/74/73/520257473.db2.gz	XZRFXOZOHLXDHF-DEOSSOPVSA-N	-1	3	460.530	5.643	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccc(Br)s1	ZINC000012348070	520257804	/nfs/dbraw/zinc/25/78/04/520257804.db2.gz	RPFJCJZQUIALIN-GOSISDBHSA-N	-1	3	470.392	5.190	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccc(Cl)c(Cl)c1	ZINC000012346974	520258794	/nfs/dbraw/zinc/25/87/94/520258794.db2.gz	TYOAXUGILMXMMY-LJQANCHMSA-N	-1	3	454.357	5.673	50	30		JKEAHM
CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000009462685	520331271	/nfs/dbraw/zinc/33/12/71/520331271.db2.gz	WMVQWPAEMHDRRN-XMMPIXPASA-N	-1	3	460.530	5.678	50	30		JKEAHM
CCOc1cc(-c2nc3ccccn3c2/N=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)ccc1[O-]	ZINC000012411492	520614532	/nfs/dbraw/zinc/61/45/32/520614532.db2.gz	AGTWUJPYYSKHQU-BRJLIKDPSA-N	-1	3	471.300	6.071	50	30		JKEAHM
CCOc1cc(/C=C2\S/C(=N\c3ccc(Br)cc3)NC2=O)cc(Br)c1[O-]	ZINC000015015371	520631446	/nfs/dbraw/zinc/63/14/46/520631446.db2.gz	DODPAORQUCDYTF-DHDCSXOGSA-N	-1	3	498.196	5.208	50	30		JKEAHM
CCOc1cc(Br)cc(/C=N/c2sc3c(c2C#N)CCN(Cc2ccccc2)C3)c1[O-]	ZINC000022612077	520652324	/nfs/dbraw/zinc/65/23/24/520652324.db2.gz	JPROFWAHEHGDBH-UVHMKAGCSA-N	-1	3	496.430	5.795	50	30		JKEAHM
CCOc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(Br)c1[O-]	ZINC000002994376	520779246	/nfs/dbraw/zinc/77/92/46/520779246.db2.gz	WWJGKKZMQXWLCR-VWLOTQADSA-N	-1	3	492.413	7.016	50	30		JKEAHM
CCOc1cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(CC)cc2)C3)cc(Cl)c1[O-]	ZINC000016426721	520781027	/nfs/dbraw/zinc/78/10/27/520781027.db2.gz	HNOQQALMXJTCNH-BVZFJXPGSA-N	-1	3	496.003	5.541	50	30		JKEAHM
CCOc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(Br)c1[O-]	ZINC000002994377	520785542	/nfs/dbraw/zinc/78/55/42/520785542.db2.gz	WWJGKKZMQXWLCR-RUZDIDTESA-N	-1	3	492.413	7.016	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000008896734	520879768	/nfs/dbraw/zinc/87/97/68/520879768.db2.gz	ZQNTWPQWTOURHN-QHCPKHFHSA-N	-1	3	460.530	5.462	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000009507907	520883446	/nfs/dbraw/zinc/88/34/46/520883446.db2.gz	BKNLIHQWHKFAGW-RUZDIDTESA-N	-1	3	498.604	6.349	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccccc2)cc1	ZINC000009506903	520883875	/nfs/dbraw/zinc/88/38/75/520883875.db2.gz	GAIVEANIWYQEDR-XMMPIXPASA-N	-1	3	484.577	6.040	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2)cc1	ZINC000009275478	520884726	/nfs/dbraw/zinc/88/47/26/520884726.db2.gz	UGTWESMJLFKQCE-DEOSSOPVSA-N	-1	3	484.577	6.095	50	30		JKEAHM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2)cc1	ZINC000009275478	520884732	/nfs/dbraw/zinc/88/47/32/520884732.db2.gz	UGTWESMJLFKQCE-DEOSSOPVSA-N	-1	3	484.577	6.095	50	30		JKEAHM
CCOc1ccc(N2C(=O)C([O-])=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000009374883	521035353	/nfs/dbraw/zinc/03/53/53/521035353.db2.gz	YOVMLPUABRNABP-FLQJWANXSA-N	-1	3	459.929	5.921	50	30		JKEAHM
CCOc1ccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000009374883	521035359	/nfs/dbraw/zinc/03/53/59/521035359.db2.gz	YOVMLPUABRNABP-FLQJWANXSA-N	-1	3	459.929	5.921	50	30		JKEAHM
CCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000009008574	521235523	/nfs/dbraw/zinc/23/55/23/521235523.db2.gz	NLGBGUMHFMLOIQ-XMMPIXPASA-N	-1	3	484.577	6.095	50	30		JKEAHM
CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000009008574	521235532	/nfs/dbraw/zinc/23/55/32/521235532.db2.gz	NLGBGUMHFMLOIQ-XMMPIXPASA-N	-1	3	484.577	6.095	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccccc3)sc2c1	ZINC000009339625	521298916	/nfs/dbraw/zinc/29/89/16/521298916.db2.gz	DNGIZLYUWQXTPM-QHCPKHFHSA-N	-1	3	470.550	5.786	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(OC)cc3)sc2c1	ZINC000009271146	521300054	/nfs/dbraw/zinc/30/00/54/521300054.db2.gz	ZHOYOLQPWSMHLD-QHCPKHFHSA-N	-1	3	486.549	5.487	50	30		JKEAHM
COc1cc(-c2nc3cc(C)ccn3c2/N=C/c2cc(Br)ccc2[O-])ccc1O	ZINC000016363094	521906828	/nfs/dbraw/zinc/90/68/28/521906828.db2.gz	MCLMRFSDDQCYKG-WYMPLXKRSA-N	-1	3	452.308	5.243	50	30		JKEAHM
COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(-c3cccc(Cl)c3C)o2)ccc1[O-]	ZINC000016250052	521907709	/nfs/dbraw/zinc/90/77/09/521907709.db2.gz	DULAGFDSGHMFPR-RWPZCVJISA-N	-1	3	457.917	6.688	50	30		JKEAHM
COc1cc(/C=C/C(=O)c2cccc([O-])c2)ccc1OCCOc1cccc(Br)c1	ZINC000015545293	521940087	/nfs/dbraw/zinc/94/00/87/521940087.db2.gz	JOMYVPCHIDLOJU-CSKARUKUSA-N	-1	3	469.331	5.517	50	30		JKEAHM
COc1cc(/C=C2\S/C(=N/c3cccc(Cl)c3C)NC2=O)cc(Br)c1[O-]	ZINC000015016086	521968945	/nfs/dbraw/zinc/96/89/45/521968945.db2.gz	UWEMHZFTJKRPJL-NVNXTCNLSA-N	-1	3	453.745	5.017	50	30		JKEAHM
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc(Cl)cc2)nc1C	ZINC000016736920	522418436	/nfs/dbraw/zinc/41/84/36/522418436.db2.gz	WQDMIDNEBFYGIL-ZTVSIKPCSA-N	-1	3	494.956	5.074	50	30		JKEAHM
COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@H]2c2ccc(Cl)cc2)nc1C	ZINC000016736920	522418452	/nfs/dbraw/zinc/41/84/52/522418452.db2.gz	WQDMIDNEBFYGIL-ZTVSIKPCSA-N	-1	3	494.956	5.074	50	30		JKEAHM
COc1cc([C@@H]2C(C(=O)C=Cc3ccccc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)ccc1O	ZINC000009020049	522914418	/nfs/dbraw/zinc/91/44/18/522914418.db2.gz	MKPDGEMIYVPBOS-COOIAYKFSA-N	-1	3	495.453	5.602	50	30		JKEAHM
COc1cc([C@@H]2C(=C([O-])C=Cc3ccccc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)ccc1O	ZINC000009020049	522914429	/nfs/dbraw/zinc/91/44/29/522914429.db2.gz	MKPDGEMIYVPBOS-COOIAYKFSA-N	-1	3	495.453	5.602	50	30		JKEAHM
COc1cc([C@@H]2c3c(=O)[n-][nH]c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)ccc1OCc1ccccc1	ZINC000012349320	522935600	/nfs/dbraw/zinc/93/56/00/522935600.db2.gz	KKEHRYAPXLJXEQ-UUOWRZLLSA-N	-1	3	499.592	5.723	50	30		JKEAHM
COc1cc([C@@H]2c3c(=O)[nH][n-]c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)ccc1OCc1ccccc1	ZINC000012349320	522935609	/nfs/dbraw/zinc/93/56/09/522935609.db2.gz	KKEHRYAPXLJXEQ-UUOWRZLLSA-N	-1	3	499.592	5.723	50	30		JKEAHM
COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(Br)c1[O-]	ZINC000001155586	522964734	/nfs/dbraw/zinc/96/47/34/522964734.db2.gz	IPSHTUJRJRRVPR-JCQPUDPBSA-N	-1	3	497.414	6.204	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2Cl)cc1	ZINC000009356967	523565309	/nfs/dbraw/zinc/56/53/09/523565309.db2.gz	SSFSRPUTMMMCQF-FQEVSTJZSA-N	-1	3	458.297	5.374	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(F)c2)cc1	ZINC000009065096	523569840	/nfs/dbraw/zinc/56/98/40/523569840.db2.gz	IVROCOBORYQCSU-HSZRJFAPSA-N	-1	3	488.540	5.844	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000009301873	523570080	/nfs/dbraw/zinc/57/00/80/523570080.db2.gz	RGHMHCLORAXQGZ-QFIPXVFZSA-N	-1	3	476.598	5.849	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000009301873	523570083	/nfs/dbraw/zinc/57/00/83/523570083.db2.gz	RGHMHCLORAXQGZ-QFIPXVFZSA-N	-1	3	476.598	5.849	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1Cl	ZINC000009471312	523570397	/nfs/dbraw/zinc/57/03/97/523570397.db2.gz	NYOJRZMDBJEYKG-HSZRJFAPSA-N	-1	3	476.960	5.824	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccco2)cc1C	ZINC000009477310	523570490	/nfs/dbraw/zinc/57/04/90/523570490.db2.gz	AFIKKWCIRVGYIW-OAQYLSRUSA-N	-1	3	460.511	5.298	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000009008681	523570568	/nfs/dbraw/zinc/57/05/68/523570568.db2.gz	YJIHWZSZFUYSIK-DEOSSOPVSA-N	-1	3	484.577	6.013	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000009008681	523570572	/nfs/dbraw/zinc/57/05/72/523570572.db2.gz	YJIHWZSZFUYSIK-DEOSSOPVSA-N	-1	3	484.577	6.013	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000008996303	524060249	/nfs/dbraw/zinc/06/02/49/524060249.db2.gz	CFABRAFHUPZURQ-HSZRJFAPSA-N	-1	3	498.560	5.428	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccccc3F)sc2c1	ZINC000009435420	524060445	/nfs/dbraw/zinc/06/04/45/524060445.db2.gz	MVGTZUHHPGKYMK-HSZRJFAPSA-N	-1	3	472.541	6.089	50	30		JKEAHM
COc1cccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1OC	ZINC000009174712	524111270	/nfs/dbraw/zinc/11/12/70/524111270.db2.gz	HXDYHADHSYFBPH-HXUWFJFHSA-N	-1	3	492.578	5.466	50	30		JKEAHM
COc1cccc([C@@H]2C(=C([O-])c3ccncc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1	ZINC000016736609	524112158	/nfs/dbraw/zinc/11/21/58/524112158.db2.gz	BESAIIZVOOOXJN-JOCHJYFZSA-N	-1	3	471.538	5.100	50	30		JKEAHM
COc1cccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)c1	ZINC000009065142	524170116	/nfs/dbraw/zinc/17/01/16/524170116.db2.gz	VONNEBMXULZZCQ-QFIPXVFZSA-N	-1	3	474.513	5.535	50	30		JKEAHM
COc1cccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1OC	ZINC000009008433	524173095	/nfs/dbraw/zinc/17/30/95/524173095.db2.gz	UZLWULDQUMQALC-QFIPXVFZSA-N	-1	3	486.549	5.405	50	30		JKEAHM
COc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(OC)cc2OC)cc1	ZINC000009370543	524385712	/nfs/dbraw/zinc/38/57/12/524385712.db2.gz	HWZLJUWDSVYFTB-HSZRJFAPSA-N	-1	3	479.916	5.149	50	30		JKEAHM
COc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(OC)cc2OC)cc1	ZINC000009370544	524386429	/nfs/dbraw/zinc/38/64/29/524386429.db2.gz	HWZLJUWDSVYFTB-QHCPKHFHSA-N	-1	3	479.916	5.149	50	30		JKEAHM
COc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000009334028	524386514	/nfs/dbraw/zinc/38/65/14/524386514.db2.gz	TXBYZDKLEHPSQV-OAQYLSRUSA-N	-1	3	464.315	5.241	50	30		JKEAHM
COc1ccc(Nc2nc(N=NCc3c[nH]c4ccccc34)nc([N-]c3ccc([N+](=O)[O-])cc3)n2)cc1	ZINC000014921146	524718426	/nfs/dbraw/zinc/71/84/26/524718426.db2.gz	WPEWBSBWVWSZTP-JFLMPSFJSA-N	-1	3	495.503	5.203	50	30		JKEAHM
COc1ccccc1[C@@H]1C(=C([O-])c2ccc(C)cc2)C(=O)C(=O)N1c1nc2ccccc2s1	ZINC000009358063	524747562	/nfs/dbraw/zinc/74/75/62/524747562.db2.gz	WOUFPHIVRPFKPW-JOCHJYFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)cc2)=C([O-])C(=O)N1c1nc2ccccc2s1	ZINC000009358063	524747575	/nfs/dbraw/zinc/74/75/75/524747575.db2.gz	WOUFPHIVRPFKPW-JOCHJYFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
COc1ccccc1[C@@H]1C(=C([O-])c2ccccc2)C(=O)C(=O)N1c1nc2ccc(C)cc2s1	ZINC000009302091	524748067	/nfs/dbraw/zinc/74/80/67/524748067.db2.gz	LSNFGFUFLGZJCG-JOCHJYFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1c1nc2ccc(C)cc2s1	ZINC000009302091	524748073	/nfs/dbraw/zinc/74/80/73/524748073.db2.gz	LSNFGFUFLGZJCG-JOCHJYFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
COc1ccccc1[C@@H]1C(=C([O-])c2ccc(C)cc2)C(=O)C(=O)N1c1nc2c(cc(C)cc2C)s1	ZINC000009065476	524748343	/nfs/dbraw/zinc/74/83/43/524748343.db2.gz	CLAMTZQSIHUZEM-XMMPIXPASA-N	-1	3	484.577	6.013	50	30		JKEAHM
COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)cc2)=C([O-])C(=O)N1c1nc2c(cc(C)cc2C)s1	ZINC000009065476	524748351	/nfs/dbraw/zinc/74/83/51/524748351.db2.gz	CLAMTZQSIHUZEM-XMMPIXPASA-N	-1	3	484.577	6.013	50	30		JKEAHM
COc1ccc(OC)c([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000009046511	524911536	/nfs/dbraw/zinc/91/15/36/524911536.db2.gz	CKPXAMREKCCELD-QHCPKHFHSA-N	-1	3	486.549	5.405	50	30		JKEAHM
C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccccc3)ccc2O1	ZINC000009357553	524978566	/nfs/dbraw/zinc/97/85/66/524978566.db2.gz	JZQVCGZPFZSDQL-PSLXWICFSA-N	-1	3	486.524	5.542	50	30		JKEAHM
COc1ccc([C@@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)CCC3)cc1OCc1ccccc1	ZINC000012348170	525278752	/nfs/dbraw/zinc/27/87/52/525278752.db2.gz	GKFWEZYPFFDBNC-SANMLTNESA-N	-1	3	493.563	5.318	50	30		JKEAHM
Cc1ccccc1OCc1nc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n[n-]1	ZINC000014066577	525317226	/nfs/dbraw/zinc/31/72/26/525317226.db2.gz	AGIAKHRCIFDREA-OAHLLOKOSA-N	-1	3	467.620	5.014	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000009241132	525386851	/nfs/dbraw/zinc/38/68/51/525386851.db2.gz	JNPQESOZNSTTFL-QHCPKHFHSA-N	-1	3	486.549	5.405	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)cc1OC	ZINC000009175387	525387437	/nfs/dbraw/zinc/38/74/37/525387437.db2.gz	PRFUMWYQKLQJON-QHCPKHFHSA-N	-1	3	486.549	5.405	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC	ZINC000009241604	525391804	/nfs/dbraw/zinc/39/18/04/525391804.db2.gz	KEEFSIPEWKKFIY-NRFANRHFSA-N	-1	3	492.578	5.466	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cccc(Br)c2)cc1	ZINC000009331841	525392442	/nfs/dbraw/zinc/39/24/42/525392442.db2.gz	FGSJOUKKPPUKDK-NRFANRHFSA-N	-1	3	464.315	5.241	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009042344	525393261	/nfs/dbraw/zinc/39/32/61/525393261.db2.gz	UZQNLSRBZYNHID-NRFANRHFSA-N	-1	3	476.579	5.766	50	30		JKEAHM
C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@H]3c3ccccc3)ccc2O1	ZINC000009357550	525517781	/nfs/dbraw/zinc/51/77/81/525517781.db2.gz	JZQVCGZPFZSDQL-FATZIPQQSA-N	-1	3	486.524	5.542	50	30		JKEAHM
Cc1ccc(SCc2cc(=O)[n-]c(NC(=N)Nc3ccccc3Sc3ccccc3)n2)cc1	ZINC000015978937	525661280	/nfs/dbraw/zinc/66/12/80/525661280.db2.gz	GDZCCRNTQKAIPA-UHFFFAOYSA-N	-1	3	473.627	5.580	50	30		JKEAHM
Cc1cc2nc(-c3ccc(/N=C/c4cc(I)cc(C)c4[O-])cc3)oc2c(C)c1	ZINC000027501137	525666967	/nfs/dbraw/zinc/66/69/67/525666967.db2.gz	ZZVOSZUBANFAAG-BRJLIKDPSA-N	-1	3	482.321	6.481	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3ccccc3)nc2c(C)c1	ZINC000009437229	525698309	/nfs/dbraw/zinc/69/83/09/525698309.db2.gz	WAONMKYSPLHCHZ-DEOSSOPVSA-N	-1	3	498.560	5.467	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(F)cc3)nc2c(C)c1	ZINC000009339602	525699284	/nfs/dbraw/zinc/69/92/84/525699284.db2.gz	LEXXHTNOLZXXCX-QFIPXVFZSA-N	-1	3	458.514	5.835	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3cccc(Cl)c3)nc2c(C)c1	ZINC000009241361	525700105	/nfs/dbraw/zinc/70/01/05/525700105.db2.gz	CYXPDCORRYXUED-QFIPXVFZSA-N	-1	3	474.969	6.349	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2F)c1	ZINC000009506778	525784763	/nfs/dbraw/zinc/78/47/63/525784763.db2.gz	PRFDXGYKOMWABB-JOCHJYFZSA-N	-1	3	474.513	5.535	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C)o2)c1	ZINC000009461140	525785118	/nfs/dbraw/zinc/78/51/18/525785118.db2.gz	GOBQNQDAYKRCIR-JOCHJYFZSA-N	-1	3	474.538	5.606	50	30		JKEAHM
Cc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000009373695	525790034	/nfs/dbraw/zinc/79/00/34/525790034.db2.gz	ZRXXWNYIYFXEEE-CRICUBBOSA-N	-1	3	496.588	6.019	50	30		JKEAHM
Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000009373695	525790042	/nfs/dbraw/zinc/79/00/42/525790042.db2.gz	ZRXXWNYIYFXEEE-CRICUBBOSA-N	-1	3	496.588	6.019	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000009008738	526026991	/nfs/dbraw/zinc/02/69/91/526026991.db2.gz	MDMUTRDNYVYMNT-HSZRJFAPSA-N	-1	3	488.996	6.658	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(I)cc3)[C@@H]2c2ccccc2)cc1	ZINC000009379835	526028389	/nfs/dbraw/zinc/02/83/89/526028389.db2.gz	LWPQMKMFSWMBBW-OAQYLSRUSA-N	-1	3	495.316	5.383	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000009069658	526030896	/nfs/dbraw/zinc/03/08/96/526030896.db2.gz	WWUFACJMBCPGCG-VWLOTQADSA-N	-1	3	496.632	6.994	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000009069658	526030899	/nfs/dbraw/zinc/03/08/99/526030899.db2.gz	WWUFACJMBCPGCG-VWLOTQADSA-N	-1	3	496.632	6.994	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2)cc1	ZINC000009271149	526031012	/nfs/dbraw/zinc/03/10/12/526031012.db2.gz	YEMBRXVJXDKYTF-QHCPKHFHSA-N	-1	3	454.551	6.004	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2)cc1	ZINC000009271149	526031017	/nfs/dbraw/zinc/03/10/17/526031017.db2.gz	YEMBRXVJXDKYTF-QHCPKHFHSA-N	-1	3	454.551	6.004	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000009019772	526031129	/nfs/dbraw/zinc/03/11/29/526031129.db2.gz	IEDKNEHEJRHTTK-DEOSSOPVSA-N	-1	3	468.578	6.511	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000009019772	526031138	/nfs/dbraw/zinc/03/11/38/526031138.db2.gz	IEDKNEHEJRHTTK-DEOSSOPVSA-N	-1	3	468.578	6.511	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccnc3)sc2c1	ZINC000009360510	526251695	/nfs/dbraw/zinc/25/16/95/526251695.db2.gz	YSDQWNAQTOVVDJ-CMJOXMDJSA-N	-1	3	483.549	5.106	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(O)cc3)sc2c1	ZINC000009292116	526251867	/nfs/dbraw/zinc/25/18/67/526251867.db2.gz	ZVHKFCCRDABMLW-IZHWHUGBSA-N	-1	3	498.560	5.417	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000009275687	526252126	/nfs/dbraw/zinc/25/21/26/526252126.db2.gz	FVSFMAZXOIGTEW-OAQYLSRUSA-N	-1	3	471.494	5.296	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000009067237	526252379	/nfs/dbraw/zinc/25/23/79/526252379.db2.gz	IANCBQKBNFILIX-XMMPIXPASA-N	-1	3	482.605	6.685	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000009067237	526252383	/nfs/dbraw/zinc/25/23/83/526252383.db2.gz	IANCBQKBNFILIX-XMMPIXPASA-N	-1	3	482.605	6.685	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccs3)sc2c1	ZINC000009436324	526252648	/nfs/dbraw/zinc/25/26/48/526252648.db2.gz	CIUBYOLJYKSGOB-RCDICMHDSA-N	-1	3	488.590	5.773	50	30		JKEAHM
N#Cc1c2c(sc1[N-]C(=O)c1nc(SCc3ccc(F)cc3)ncc1Cl)CCCC2	ZINC000008868340	526533208	/nfs/dbraw/zinc/53/32/08/526533208.db2.gz	DQTVFPXSWPEYHG-UHFFFAOYSA-N	-1	3	458.971	5.626	50	30		JKEAHM
N#Cc1c2c(sc1[N-]C(=O)c1cc3nc(-c4cccs4)cc(C(F)(F)Cl)n3n1)CCCC2	ZINC000002873709	526533942	/nfs/dbraw/zinc/53/39/42/526533942.db2.gz	ALYWCJXIIWDOFE-UHFFFAOYSA-N	-1	3	489.960	5.810	50	30		JKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)C)cc2)sc1C	ZINC000009008709	526960931	/nfs/dbraw/zinc/96/09/31/526960931.db2.gz	ITYYJSQQZFIHQJ-OAQYLSRUSA-N	-1	3	466.990	6.320	50	30		JKEAHM
O=[N+]([O-])c1ccc(/N=C/c2cc(Cc3ccc(O)c(/C=N/c4ccc([N+](=O)[O-])cc4)c3)ccc2[O-])cc1	ZINC000014922745	527345633	/nfs/dbraw/zinc/34/56/33/527345633.db2.gz	OHEHLJAPUYDUCA-LPHFKDDMSA-N	-1	3	496.479	6.006	50	30		JKEAHM
O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(OCc2ccccc2)cc1	ZINC000012347905	527456009	/nfs/dbraw/zinc/45/60/09/527456009.db2.gz	FXEXPFFDOIFJNZ-VWLOTQADSA-N	-1	3	463.537	5.309	50	30		JKEAHM
O=C1C(=O)N(c2ccccc2)[C@@H](c2ccc(Br)cc2)C1=C([O-])C=Cc1ccccc1	ZINC000009380110	527629989	/nfs/dbraw/zinc/62/99/89/527629989.db2.gz	TUTYXHSZWPCUBQ-LJJIPZOBSA-N	-1	3	460.327	5.632	50	30		JKEAHM
O=C(C=Cc1ccccc1)C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(Cl)cc1	ZINC000009271880	527630703	/nfs/dbraw/zinc/63/07/03/527630703.db2.gz	TWMDCZUVCJVBEX-VTJDKEBTSA-N	-1	3	483.873	6.541	50	30		JKEAHM
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccc(Cl)cc2)C1=C([O-])C=Cc1ccccc1	ZINC000009271880	527630706	/nfs/dbraw/zinc/63/07/06/527630706.db2.gz	TWMDCZUVCJVBEX-VTJDKEBTSA-N	-1	3	483.873	6.541	50	30		JKEAHM
O=C(C=Cc1ccccc1)C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000009019834	527630965	/nfs/dbraw/zinc/63/09/65/527630965.db2.gz	IQZIAAKJQDOIHW-OTOIZHKDSA-N	-1	3	494.425	5.796	50	30		JKEAHM
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2cccc([N+](=O)[O-])c2)C1=C([O-])C=Cc1ccccc1	ZINC000009019834	527630970	/nfs/dbraw/zinc/63/09/70/527630970.db2.gz	IQZIAAKJQDOIHW-OTOIZHKDSA-N	-1	3	494.425	5.796	50	30		JKEAHM
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2[N+](=O)[O-])C1=C([O-])C=Cc1ccccc1	ZINC000009111003	527631055	/nfs/dbraw/zinc/63/10/55/527631055.db2.gz	ZLEQUAHCDQGXOZ-ZVQQDINOSA-N	-1	3	494.425	5.796	50	30		JKEAHM
O=C(C=Cc1ccccc1)C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000009111003	527631059	/nfs/dbraw/zinc/63/10/59/527631059.db2.gz	ZLEQUAHCDQGXOZ-ZVQQDINOSA-N	-1	3	494.425	5.796	50	30		JKEAHM
CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2Cl)cc1	ZINC000102368900	534967649	/nfs/dbraw/zinc/96/76/49/534967649.db2.gz	STPNJRSIZRAZIB-AYWGPLOBSA-N	-1	3	497.378	5.798	50	30		JKEAHM
CC(C)Oc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102368663	534967777	/nfs/dbraw/zinc/96/77/77/534967777.db2.gz	YXQPCRDTJWLCKS-NPJIAGGLSA-N	-1	3	456.542	5.619	50	30		JKEAHM
CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102368663	534967782	/nfs/dbraw/zinc/96/77/82/534967782.db2.gz	YXQPCRDTJWLCKS-NPJIAGGLSA-N	-1	3	456.542	5.619	50	30		JKEAHM
CC(C)Oc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102368611	534968020	/nfs/dbraw/zinc/96/80/20/534968020.db2.gz	FNLKDPZNCUQNIC-MOBKVPTQSA-N	-1	3	476.598	5.854	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(C)cc3)sc2c1	ZINC000102540220	535442928	/nfs/dbraw/zinc/44/29/28/535442928.db2.gz	RSRGGDIJGWMNDJ-ZHHPLPSFSA-N	-1	3	470.550	5.630	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102701171	535827868	/nfs/dbraw/zinc/82/78/68/535827868.db2.gz	NBWHFKJFNZAVJF-SBXHHDGASA-N	-1	3	486.593	6.510	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccccc3OC)sc2c1	ZINC000102701686	535828568	/nfs/dbraw/zinc/82/85/68/535828568.db2.gz	ODBMHAHXNRMVFV-SBXHHDGASA-N	-1	3	484.577	5.802	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccccc3OC)sc2c1	ZINC000102701686	535828576	/nfs/dbraw/zinc/82/85/76/535828576.db2.gz	ODBMHAHXNRMVFV-SBXHHDGASA-N	-1	3	484.577	5.802	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1	ZINC000102727517	535828831	/nfs/dbraw/zinc/82/88/31/535828831.db2.gz	QYAQZMWHVQCOJO-NXLSWJSLSA-N	-1	3	484.577	5.802	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(OC)cc3)sc2c1	ZINC000102727517	535828835	/nfs/dbraw/zinc/82/88/35/535828835.db2.gz	QYAQZMWHVQCOJO-NXLSWJSLSA-N	-1	3	484.577	5.802	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000102694942	535829041	/nfs/dbraw/zinc/82/90/41/535829041.db2.gz	ONCVGNXYWBWSHW-AYWGPLOBSA-N	-1	3	499.548	5.702	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102715751	535829421	/nfs/dbraw/zinc/82/94/21/535829421.db2.gz	WNZUGVUGYNGZHP-AYWGPLOBSA-N	-1	3	472.566	6.201	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3ccc(C)cc3)sc2c1	ZINC000102733317	535829436	/nfs/dbraw/zinc/82/94/36/535829436.db2.gz	RFMDYXGOMOTFDO-SBXHHDGASA-N	-1	3	484.577	5.802	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(C)cc3)sc2c1	ZINC000102733317	535829440	/nfs/dbraw/zinc/82/94/40/535829440.db2.gz	RFMDYXGOMOTFDO-SBXHHDGASA-N	-1	3	484.577	5.802	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3ccc(C)o3)sc2c1	ZINC000102733680	535830018	/nfs/dbraw/zinc/83/00/18/535830018.db2.gz	TZTSHEYBQPALMK-HOGKFDNTSA-N	-1	3	474.538	5.395	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccc(C)cc3)sc2c1	ZINC000102700645	535830067	/nfs/dbraw/zinc/83/00/67/535830067.db2.gz	KNJHTAUEFIECJX-AYWGPLOBSA-N	-1	3	488.996	6.447	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccccc3OC)sc2c1	ZINC000102717083	535830203	/nfs/dbraw/zinc/83/02/03/535830203.db2.gz	NITFDUJMLRKTIE-ZHHPLPSFSA-N	-1	3	470.550	5.494	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000102708154	535830404	/nfs/dbraw/zinc/83/04/04/535830404.db2.gz	FQLVQKCHLQFEBH-ZHHPLPSFSA-N	-1	3	486.593	6.376	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3ccco3)sc2c1	ZINC000102707381	535830873	/nfs/dbraw/zinc/83/08/73/535830873.db2.gz	OBIXZTVLYSKRFP-MRJHHRETSA-N	-1	3	460.511	5.087	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(Cl)cc3)sc2c1	ZINC000102704714	535830956	/nfs/dbraw/zinc/83/09/56/535830956.db2.gz	YQRANNYYIWRRDJ-MOBKVPTQSA-N	-1	3	474.969	6.138	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000102878688	536568384	/nfs/dbraw/zinc/56/83/84/536568384.db2.gz	RSNRZQJKGVTMKF-MOBKVPTQSA-N	-1	3	474.513	5.379	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000102883117	536568641	/nfs/dbraw/zinc/56/86/41/536568641.db2.gz	CPWDFGHFTCKBRB-HOGKFDNTSA-N	-1	3	474.513	5.379	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C)o2)cc1C	ZINC000102722916	536568662	/nfs/dbraw/zinc/56/86/62/536568662.db2.gz	BUUBFHDDIFALDR-MOBKVPTQSA-N	-1	3	474.538	5.449	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(F)cc2)cc1	ZINC000102883118	536569667	/nfs/dbraw/zinc/56/96/67/536569667.db2.gz	CPWDFGHFTCKBRB-MOBKVPTQSA-N	-1	3	474.513	5.379	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000102926905	536570065	/nfs/dbraw/zinc/57/00/65/536570065.db2.gz	PGGIVRPOBUMEIR-HOGKFDNTSA-N	-1	3	490.968	5.893	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(F)c2)cc1	ZINC000102883022	536570086	/nfs/dbraw/zinc/57/00/86/536570086.db2.gz	GBZSCGWNGTYBAZ-BUANBSPESA-N	-1	3	488.540	5.687	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccs2)c1	ZINC000102733275	537073407	/nfs/dbraw/zinc/07/34/07/537073407.db2.gz	YGQAHDSXWZYFET-PGVNHDJNSA-N	-1	3	476.579	5.610	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C(C)C)cc2)c1	ZINC000102712875	537073432	/nfs/dbraw/zinc/07/34/32/537073432.db2.gz	QSBPPKBTYDYCME-IUKMQXEJSA-N	-1	3	498.604	6.363	50	30		JKEAHM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C(C)C)cc2)c1	ZINC000102712875	537073437	/nfs/dbraw/zinc/07/34/37/537073437.db2.gz	QSBPPKBTYDYCME-IUKMQXEJSA-N	-1	3	498.604	6.363	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccs2)c1	ZINC000102701905	537073976	/nfs/dbraw/zinc/07/39/76/537073976.db2.gz	YOTPZUCKQCRLQK-NHFXJNLRSA-N	-1	3	462.552	5.301	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(F)cc2)c1	ZINC000102730799	537074282	/nfs/dbraw/zinc/07/42/82/537074282.db2.gz	CZWHFAMIQGRDNY-BUANBSPESA-N	-1	3	488.540	5.687	50	30		JKEAHM
CCOc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc(Br)c1[O-]	ZINC000000717972	553769800	/nfs/dbraw/zinc/76/98/00/553769800.db2.gz	ZJDILBBHTUOOOP-XMMPIXPASA-N	-1	3	464.359	6.380	50	30		JKEAHM
COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc(Cl)c1[O-]	ZINC000000720488	553772004	/nfs/dbraw/zinc/77/20/04/553772004.db2.gz	ZPTAUJDATJAHKY-SXBQZSJRSA-N	-1	3	481.379	6.687	50	30		JKEAHM
COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Br)c1[O-]	ZINC000000812938	553785339	/nfs/dbraw/zinc/78/53/39/553785339.db2.gz	BNABLINVLUQUQD-CPJLOUKISA-N	-1	3	491.385	6.143	50	30		JKEAHM
COc1cc([C@@H]2c3ccc4ccccc4c3NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1[O-]	ZINC000000831851	553790472	/nfs/dbraw/zinc/79/04/72/553790472.db2.gz	KIHAGRPBNAQVSX-JOCHJYFZSA-N	-1	3	478.386	6.517	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(C(C)=O)cc2)cc1	ZINC000000842118	553793654	/nfs/dbraw/zinc/79/36/54/553793654.db2.gz	YENOZCYVDOAOSF-QHCPKHFHSA-N	-1	3	461.901	5.334	50	30		JKEAHM
CCOc1cc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CCC3)cc(Br)c1[O-]	ZINC000000844195	553794830	/nfs/dbraw/zinc/79/48/30/553794830.db2.gz	VGAXDSXAFUCICB-OAQYLSRUSA-N	-1	3	490.394	5.007	50	30		JKEAHM
N#Cc1c([N-]C(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)sc2c1CCCCC2	ZINC000000845087	553795385	/nfs/dbraw/zinc/79/53/85/553795385.db2.gz	ITKVWIQULDNLQG-UHFFFAOYSA-N	-1	3	471.464	5.462	50	30		JKEAHM
C[C@H]1CCc2c(C#N)c([N-]C(=O)c3cc4nc(-c5ccco5)cc(C(F)(F)F)n4n3)sc2C1	ZINC000000845090	553795435	/nfs/dbraw/zinc/79/54/35/553795435.db2.gz	BLXFUKQLPOACMX-NSHDSACASA-N	-1	3	471.464	5.318	50	30		JKEAHM
C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cc4nc(-c5cccs5)cc(C(F)(F)F)n4n3)sc2C1	ZINC000000845366	553796174	/nfs/dbraw/zinc/79/61/74/553796174.db2.gz	CDBGHJPVQSNFAM-LLVKDONJSA-N	-1	3	487.532	5.787	50	30		JKEAHM
COc1ccc(OC)c([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccccc3s2)c1	ZINC000000846444	553796501	/nfs/dbraw/zinc/79/65/01/553796501.db2.gz	MZXFREJXXLBJIF-QFIPXVFZSA-N	-1	3	472.522	5.096	50	30		JKEAHM
O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2	ZINC000001122212	553912161	/nfs/dbraw/zinc/91/21/61/553912161.db2.gz	ZEXQKTWHKKGFCX-NRFANRHFSA-N	-1	3	486.307	5.136	50	30		JKEAHM
CC1(C)SC(=S)N(/N=C/c2c(O)ccc3ccccc32)[C@H]1N([O-])C(=O)NC1CCCCC1	ZINC000001243771	553937495	/nfs/dbraw/zinc/93/74/95/553937495.db2.gz	JHBPYCYZHFTARA-PGLVWIQMSA-N	-1	3	472.636	5.051	50	30		JKEAHM
COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc(Cl)c1[O-]	ZINC000001434721	553971526	/nfs/dbraw/zinc/97/15/26/553971526.db2.gz	QEZNAQIFPZSAKI-QUGAMOGWSA-N	-1	3	460.961	6.342	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3ccc(C)o3)sc2c1	ZINC000001450575	553973803	/nfs/dbraw/zinc/97/38/03/553973803.db2.gz	WHYYHYDNVVKAGA-JOCHJYFZSA-N	-1	3	474.538	5.552	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(O)c2)c1	ZINC000001451486	553974186	/nfs/dbraw/zinc/97/41/86/553974186.db2.gz	RHIRYAHYPODFQI-QFIPXVFZSA-N	-1	3	472.522	5.102	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1	ZINC000001464101	553976306	/nfs/dbraw/zinc/97/63/06/553976306.db2.gz	GDSOAUKDQRTUJY-AREMUKBSSA-N	-1	3	478.504	5.665	50	30		JKEAHM
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(Cl)c([O-])c(OC)c2)cc1	ZINC000001467873	553976550	/nfs/dbraw/zinc/97/65/50/553976550.db2.gz	TYVWSHUAUOYNKL-YHAMSUFESA-N	-1	3	476.960	6.042	50	30		JKEAHM
CCOc1cc(Br)c(Br)c(/C=N/c2cc([C@@H](C)CC)ccc2O)c1[O-]	ZINC000001885652	554000695	/nfs/dbraw/zinc/00/06/95/554000695.db2.gz	VJBXHEYTYAONGP-ZOCVZFIWSA-N	-1	3	471.189	6.286	50	30		JKEAHM
CCOc1cc(Br)cc(/C=N/c2ccc(Cl)c(-c3nc4ccccc4o3)c2)c1[O-]	ZINC000001885662	554000718	/nfs/dbraw/zinc/00/07/18/554000718.db2.gz	NGGOOXNLFCSRRF-BRJLIKDPSA-N	-1	3	471.738	6.766	50	30		JKEAHM
COc1cc(Br)cc(/C=N/c2cccc(C(=O)Nc3cccc4ccccc43)c2)c1[O-]	ZINC000001924048	554004882	/nfs/dbraw/zinc/00/48/82/554004882.db2.gz	HNFGIXLDSXWFGB-JFLMPSFJSA-N	-1	3	475.342	6.319	50	30		JKEAHM
[O-]c1ccc(Br)cc1/C=N/c1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1	ZINC000001946587	554006072	/nfs/dbraw/zinc/00/60/72/554006072.db2.gz	YMWPZASOYVVDCX-YSURURNPSA-N	-1	3	462.130	7.020	50	30		JKEAHM
Cc1cc(/N=C/c2cc(Cc3ccccc3Cl)ccc2[O-])ccc1NC(=O)c1ccccc1	ZINC000001948884	554006139	/nfs/dbraw/zinc/00/61/39/554006139.db2.gz	GGJPPWAYJGTUAI-UXHLAJHPSA-N	-1	3	454.957	6.948	50	30		JKEAHM
CC(C)(C)c1ccc(C(=O)Nc2ccc(/N=C/c3cc(Cc4ccccc4Cl)ccc3[O-])cc2)cc1	ZINC000001948898	554006166	/nfs/dbraw/zinc/00/61/66/554006166.db2.gz	NJOAPFBENBFHRV-FMFFXOCNSA-N	-1	3	497.038	7.937	50	30		JKEAHM
O=C(c1ccccc1)c1cc(Br)ccc1/N=C/c1cc(Br)ccc1[O-]	ZINC000001952947	554006561	/nfs/dbraw/zinc/00/65/61/554006561.db2.gz	YNJZDWZKAUUZTP-FSJBWODESA-N	-1	3	459.137	5.899	50	30		JKEAHM
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Cl)c([O-])c(OC)c1	ZINC000002055396	554013429	/nfs/dbraw/zinc/01/34/29/554013429.db2.gz	VQKXXLNUNPXICX-OAQYLSRUSA-N	-1	3	461.986	5.392	50	30	biogenic,in-vitro	JKEAHM
CCCOCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Cl)c([O-])c(OCC)c1	ZINC000002190650	554085848	/nfs/dbraw/zinc/08/58/48/554085848.db2.gz	UTXDHKLGCWHMSK-QFIPXVFZSA-N	-1	3	492.012	5.018	50	30		JKEAHM
CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(NC=CC(=O)c3cccc4ccccc43)cc2)c1	ZINC000002228118	554104136	/nfs/dbraw/zinc/10/41/36/554104136.db2.gz	ZYSWSFTUUZYJCA-WUKNDPDISA-N	-1	3	470.550	5.652	50	30		JKEAHM
O=C([N-]c1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(c1ccc(Cl)cc1)=N2)c1ccco1	ZINC000002253874	554117130	/nfs/dbraw/zinc/11/71/30/554117130.db2.gz	FUBAGQVWPWYWHP-GOSISDBHSA-N	-1	3	452.301	5.219	50	30		JKEAHM
Cc1cc(C)nc(N=C([N-]C(=O)Nc2ccc(Cl)c(Cl)c2)Nc2ccc(C)c(C)c2)n1	ZINC000002270141	554126529	/nfs/dbraw/zinc/12/65/29/554126529.db2.gz	BEBOTCRUBSKSFD-UHFFFAOYSA-N	-1	3	457.365	5.938	50	30		JKEAHM
CCCCOP(=O)(OCCCC)[C@]1([N-]S(=O)(=O)c2ccccc2)C=CC(=O)c2ccccc21	ZINC000002276009	554128728	/nfs/dbraw/zinc/12/87/28/554128728.db2.gz	YTKZIUFDINVYGN-XMMPIXPASA-N	-1	3	491.546	5.397	50	30		JKEAHM
N#Cc1c2nc3ccccc3nc2n(-c2ccccc2)c1[N-]C(=O)c1ccc(Br)o1	ZINC000002286296	554133178	/nfs/dbraw/zinc/13/31/78/554133178.db2.gz	NGFYSVJWYNOJNU-UHFFFAOYSA-N	-1	3	458.275	5.053	50	30		JKEAHM
CS/C(=N\c1ccccc1)N/N=C/c1cc(C)cc(/C=N/N[C@H](Nc2ccccc2)SC)c1[O-]	ZINC000002346872	554159579	/nfs/dbraw/zinc/15/95/79/554159579.db2.gz	CQSBUOCVPAJYGX-XISQAPGESA-N	-1	3	492.674	5.357	50	30		JKEAHM
Cc1ccc(OCc2ccc(C(=O)[N-]c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)o2)cc1C	ZINC000002754494	554327725	/nfs/dbraw/zinc/32/77/25/554327725.db2.gz	HVRMDYXMINIAIJ-GOSISDBHSA-N	-1	3	462.615	6.812	50	30		JKEAHM
COc1cc(Br)cc(/C=N/c2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)c1[O-]	ZINC000002765548	554333402	/nfs/dbraw/zinc/33/34/02/554333402.db2.gz	FURXVEOERJQKSP-OPEKNORGSA-N	-1	3	471.738	6.684	50	30		JKEAHM
CC[C@H]1CCc2c(C#N)c([N-]C(=O)c3cnn4c3nc(-c3ccccc3)cc4C(F)F)sc2C1	ZINC000002769942	554335729	/nfs/dbraw/zinc/33/57/29/554335729.db2.gz	ZNHMRNYKYJGYLZ-AWEZNQCLSA-N	-1	3	477.540	6.034	50	30		JKEAHM
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cc(Cl)c([O-])c(OCC)c1	ZINC000002771859	554336771	/nfs/dbraw/zinc/33/67/71/554336771.db2.gz	UVKAKEHHGFTVQA-CJAUYULYSA-N	-1	3	496.003	5.759	50	30		JKEAHM
[O-]c1ccc2ccccc2c1/C=N/c1ccc(-c2ccc(/N=C/c3c(O)ccc4ccccc43)cc2)cc1	ZINC000002847319	554376721	/nfs/dbraw/zinc/37/67/21/554376721.db2.gz	JLKSWSQZJCTMDR-JTOYJDTJSA-N	-1	3	492.578	8.572	50	30		JKEAHM
C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1cc(Br)ccc1[O-]	ZINC000002852515	554380406	/nfs/dbraw/zinc/38/04/06/554380406.db2.gz	PGHLNIBBRBUMNG-UHFFFAOYSA-N	-1	3	493.814	5.292	50	30		JKEAHM
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)[N-]c1sc2c(c1C#N)CCCC2	ZINC000002860861	554387365	/nfs/dbraw/zinc/38/73/65/554387365.db2.gz	OGOIEHSROAUFMT-JTQLQIEISA-N	-1	3	454.404	5.086	50	30		JKEAHM
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)[N-]c1sc2c(c1C#N)CCCC2	ZINC000002860862	554387409	/nfs/dbraw/zinc/38/74/09/554387409.db2.gz	OGOIEHSROAUFMT-SNVBAGLBSA-N	-1	3	454.404	5.086	50	30		JKEAHM
N#Cc1c([N-]c2nc3ccccc3nc2N2CCCCC2)oc(-c2ccccc2)c1-c1ccccc1	ZINC000003193268	554429373	/nfs/dbraw/zinc/42/93/73/554429373.db2.gz	GJBFNCXRBUYYDA-UHFFFAOYSA-N	-1	3	471.564	7.162	50	30		JKEAHM
CN1c2ccccc2S/C1=C1\S/C(=N\c2ccccc2[O-])N(CCc2ccccc2)C1=O	ZINC000004089375	554472812	/nfs/dbraw/zinc/47/28/12/554472812.db2.gz	YCHPKOCMNJNOFP-SLJQUXCSSA-N	-1	3	459.596	5.609	50	30		JKEAHM
CCc1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000005928795	554496546	/nfs/dbraw/zinc/49/65/46/554496546.db2.gz	AIRJXPHFYPHROZ-XMMPIXPASA-N	-1	3	468.578	6.258	50	30		JKEAHM
CCc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000005928795	554496549	/nfs/dbraw/zinc/49/65/49/554496549.db2.gz	AIRJXPHFYPHROZ-XMMPIXPASA-N	-1	3	468.578	6.258	50	30		JKEAHM
COc1ccccc1[C@H]1C(=C([O-])c2ccc(Br)cc2)C(=O)C(=O)N1c1ccccc1	ZINC000006459058	554542156	/nfs/dbraw/zinc/54/21/56/554542156.db2.gz	BNICTZSIJKLWQJ-NRFANRHFSA-N	-1	3	464.315	5.241	50	30		JKEAHM
COc1ccccc1[C@@H]1C(=C([O-])c2ccc(Br)cc2)C(=O)C(=O)N1c1ccccc1	ZINC000006459051	554542204	/nfs/dbraw/zinc/54/22/04/554542204.db2.gz	BNICTZSIJKLWQJ-OAQYLSRUSA-N	-1	3	464.315	5.241	50	30		JKEAHM
CCCCCCCCCCCCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(N)cc2)N1	ZINC000008386507	554569451	/nfs/dbraw/zinc/56/94/51/554569451.db2.gz	PSOCYYGLIJCLFV-DEOSSOPVSA-N	-1	3	469.592	6.813	50	30		JKEAHM
Cc1ccccc1/N=C1\S/C(=C\c2cc([O-])ccc2Br)C(=O)N1c1ccccc1C	ZINC000008396125	554570691	/nfs/dbraw/zinc/57/06/91/554570691.db2.gz	ICPAJAORVHVTMP-PZFZXBCHSA-N	-1	3	479.399	6.580	50	30		JKEAHM
CCCCCCCCCCCCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(Cl)cc2)N1	ZINC000008427150	554582528	/nfs/dbraw/zinc/58/25/28/554582528.db2.gz	KTCZZULIUIWVIC-XMMPIXPASA-N	-1	3	489.022	7.884	50	30		JKEAHM
CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(Cl)c1[O-]	ZINC000008430577	554583627	/nfs/dbraw/zinc/58/36/27/554583627.db2.gz	NOTYDSSHAUZOLV-LFPIHBKWSA-N	-1	3	466.990	6.485	50	30		JKEAHM
CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(Cl)c1[O-]	ZINC000008430578	554583631	/nfs/dbraw/zinc/58/36/31/554583631.db2.gz	NOTYDSSHAUZOLV-BSEYFRJRSA-N	-1	3	466.990	6.485	50	30		JKEAHM
CCOc1cc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc(Cl)c1[O-]	ZINC000008437192	554588204	/nfs/dbraw/zinc/58/82/04/554588204.db2.gz	AXOMEISNHXCJDZ-XMMPIXPASA-N	-1	3	481.976	5.198	50	30		JKEAHM
Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3cc(C)ccc3C)[C@H]2c2ccc(C(C)(C)C)cc2)s1	ZINC000008440213	554591164	/nfs/dbraw/zinc/59/11/64/554591164.db2.gz	ZHOKIOSSUWJDCX-OAQYLSRUSA-N	-1	3	461.587	5.544	50	30		JKEAHM
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(C(C)(C)C)cc2)s1	ZINC000008440213	554591167	/nfs/dbraw/zinc/59/11/67/554591167.db2.gz	ZHOKIOSSUWJDCX-OAQYLSRUSA-N	-1	3	461.587	5.544	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3ccco3)sc2c1	ZINC000008738708	554640335	/nfs/dbraw/zinc/64/03/35/554640335.db2.gz	UOMSWLZAIKYYLV-NRFANRHFSA-N	-1	3	460.511	5.243	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(C)cc3)sc2c1	ZINC000008743908	554646847	/nfs/dbraw/zinc/64/68/47/554646847.db2.gz	CVZAUKPGAXXSEW-OAQYLSRUSA-N	-1	3	460.580	6.012	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(OC)cc3)sc2c1	ZINC000008744150	554647189	/nfs/dbraw/zinc/64/71/89/554647189.db2.gz	POIKRWZSGFGAGL-HSZRJFAPSA-N	-1	3	470.550	5.650	50	30		JKEAHM
Cc1ccc(Nc2nc(N=NC(C)c3ccccc3)nc([N-]c3ccc([N+](=O)[O-])cc3)n2)cc1C	ZINC000008809550	554688444	/nfs/dbraw/zinc/68/84/44/554688444.db2.gz	ARQXQJRDQMIMGF-FDAWAROLSA-N	-1	3	468.521	5.720	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C(C)C)cc2)o1	ZINC000008816850	554699063	/nfs/dbraw/zinc/69/90/63/554699063.db2.gz	DWKVHFBKISEDDQ-DEOSSOPVSA-N	-1	3	486.593	6.721	50	30		JKEAHM
COc1cccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000008816967	554699223	/nfs/dbraw/zinc/69/92/23/554699223.db2.gz	SJEDPLPMCVXCPT-HSZRJFAPSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000008816967	554699225	/nfs/dbraw/zinc/69/92/25/554699225.db2.gz	SJEDPLPMCVXCPT-HSZRJFAPSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1Cl	ZINC000008816968	554699324	/nfs/dbraw/zinc/69/93/24/554699324.db2.gz	JQTMDMNTNVHZEN-QHCPKHFHSA-N	-1	3	462.933	5.650	50	30		JKEAHM
COc1cccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1	ZINC000008817078	554699626	/nfs/dbraw/zinc/69/96/26/554699626.db2.gz	IIKHXSNVVTYXTO-QHCPKHFHSA-N	-1	3	488.540	5.844	50	30		JKEAHM
COc1ccccc1[C@@H]1C(=C([O-])c2ccc(C)cc2)C(=O)C(=O)N1c1nc2ccc(F)cc2s1	ZINC000008817700	554700842	/nfs/dbraw/zinc/70/08/42/554700842.db2.gz	IXRRGUVMAQIMRC-JOCHJYFZSA-N	-1	3	474.513	5.535	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000008818176	554701714	/nfs/dbraw/zinc/70/17/14/554701714.db2.gz	PUFFZWAPUPJHNH-JOCHJYFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000008818176	554701716	/nfs/dbraw/zinc/70/17/16/554701716.db2.gz	PUFFZWAPUPJHNH-JOCHJYFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cc4ccccc4o3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000008827772	554717851	/nfs/dbraw/zinc/71/78/51/554717851.db2.gz	SEJDLNDCJFHSQE-QHCPKHFHSA-N	-1	3	456.498	5.810	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3cccc(OC)c3)sc2c1	ZINC000008836687	554736846	/nfs/dbraw/zinc/73/68/46/554736846.db2.gz	RWJOXEIBHHVSBE-QHCPKHFHSA-N	-1	3	486.549	5.487	50	30		JKEAHM
CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000008837798	554739099	/nfs/dbraw/zinc/73/90/99/554739099.db2.gz	ZKMXTFLHQJSTGE-VWLOTQADSA-N	-1	3	456.542	5.777	50	30		JKEAHM
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000008837798	554739100	/nfs/dbraw/zinc/73/91/00/554739100.db2.gz	ZKMXTFLHQJSTGE-VWLOTQADSA-N	-1	3	456.542	5.777	50	30		JKEAHM
CCCCCCOc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2cccc(F)c2)c1	ZINC000008846502	554745193	/nfs/dbraw/zinc/74/51/93/554745193.db2.gz	JGDQKEOCPPUWRT-SANMLTNESA-N	-1	3	473.544	6.568	50	30		JKEAHM
Cc1ccc(Nc2nc(N=NCc3cccc(O)c3)nc([N-]c3ccc([N+](=O)[O-])cc3)n2)cc1C	ZINC000008872833	554769567	/nfs/dbraw/zinc/76/95/67/554769567.db2.gz	AVOFJRNWGIRYAQ-AFUMVMLFSA-N	-1	3	470.493	5.035	50	30		JKEAHM
Cc1ccc(CN=Nc2nc([N-]c3ccc([N+](=O)[O-])cc3)nc(Nc3ccc(C)c(C)c3)n2)cc1	ZINC000008872892	554769698	/nfs/dbraw/zinc/76/96/98/554769698.db2.gz	TUTYLJJVMCCTFV-CVKSISIWSA-N	-1	3	468.521	5.638	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1	ZINC000008894405	554783708	/nfs/dbraw/zinc/78/37/08/554783708.db2.gz	DGPMYNPTAUSBNN-QHCPKHFHSA-N	-1	3	488.996	6.603	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccc(C)cc3)sc2c1	ZINC000008894455	554783716	/nfs/dbraw/zinc/78/37/16/554783716.db2.gz	UXGDOXGKQWVVPC-XMMPIXPASA-N	-1	3	468.578	6.258	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(C)cc3)sc2c1	ZINC000008894455	554783720	/nfs/dbraw/zinc/78/37/20/554783720.db2.gz	UXGDOXGKQWVVPC-XMMPIXPASA-N	-1	3	468.578	6.258	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(C)cc3)sc2c1	ZINC000008894537	554783800	/nfs/dbraw/zinc/78/38/00/554783800.db2.gz	WLUVOYWXEJNLBM-QHCPKHFHSA-N	-1	3	454.551	5.950	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C)cc3)sc2c1	ZINC000008894537	554783802	/nfs/dbraw/zinc/78/38/02/554783802.db2.gz	WLUVOYWXEJNLBM-QHCPKHFHSA-N	-1	3	454.551	5.950	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1	ZINC000008894415	554783822	/nfs/dbraw/zinc/78/38/22/554783822.db2.gz	GAZBRZRTAWMVIP-QHCPKHFHSA-N	-1	3	499.548	5.858	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000008894609	554783925	/nfs/dbraw/zinc/78/39/25/554783925.db2.gz	ACTIUFIHJKSJOL-QHCPKHFHSA-N	-1	3	488.634	6.827	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccc(F)cc3)sc2c1	ZINC000008896851	554787020	/nfs/dbraw/zinc/78/70/20/554787020.db2.gz	RRFUJBRJNQESAM-QHCPKHFHSA-N	-1	3	472.541	6.089	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccccc3OC)sc2c1	ZINC000008903726	554797729	/nfs/dbraw/zinc/79/77/29/554797729.db2.gz	UBYKCJOAHRKFEC-QHCPKHFHSA-N	-1	3	486.549	5.405	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000008915022	554808133	/nfs/dbraw/zinc/80/81/33/554808133.db2.gz	VTJBZPNUHNWOON-RUZDIDTESA-N	-1	3	482.605	6.765	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000008915022	554808136	/nfs/dbraw/zinc/80/81/36/554808136.db2.gz	VTJBZPNUHNWOON-RUZDIDTESA-N	-1	3	482.605	6.765	50	30		JKEAHM
Cc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000008973636	554844912	/nfs/dbraw/zinc/84/49/12/554844912.db2.gz	ZTBLALUYCGOVLS-JOCHJYFZSA-N	-1	3	458.514	5.835	50	30		JKEAHM
CC(C)(C)c1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000008973712	554844924	/nfs/dbraw/zinc/84/49/24/554844924.db2.gz	HDPRXBMBSQFTGR-QHCPKHFHSA-N	-1	3	486.568	6.516	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000008973639	554844948	/nfs/dbraw/zinc/84/49/48/554844948.db2.gz	OZKQYIPJQWNWJZ-DEOSSOPVSA-N	-1	3	486.568	6.650	50	30		JKEAHM
CCCOc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000008973920	554845258	/nfs/dbraw/zinc/84/52/58/554845258.db2.gz	HMIBVTPOBBEZOG-RUZDIDTESA-N	-1	3	498.604	6.485	50	30		JKEAHM
CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000008973920	554845261	/nfs/dbraw/zinc/84/52/61/554845261.db2.gz	HMIBVTPOBBEZOG-RUZDIDTESA-N	-1	3	498.604	6.485	50	30		JKEAHM
Cc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000008973978	554845333	/nfs/dbraw/zinc/84/53/33/554845333.db2.gz	VZEIVQZJIMKBAC-HSZRJFAPSA-N	-1	3	488.996	6.658	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1	ZINC000008973910	554845338	/nfs/dbraw/zinc/84/53/38/554845338.db2.gz	UBMRRNGGSJKULJ-VWLOTQADSA-N	-1	3	496.632	6.994	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1	ZINC000008973910	554845339	/nfs/dbraw/zinc/84/53/39/554845339.db2.gz	UBMRRNGGSJKULJ-VWLOTQADSA-N	-1	3	496.632	6.994	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl	ZINC000008987705	554850143	/nfs/dbraw/zinc/85/01/43/554850143.db2.gz	LEXPCQUSXLQCKQ-JOCHJYFZSA-N	-1	3	497.016	6.328	50	30		JKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc4ccccc4c3)[C@H]2c2ccc(C(C)C)cc2)no1	ZINC000008996574	554857410	/nfs/dbraw/zinc/85/74/10/554857410.db2.gz	RQGVTPOLPTYQPW-RUZDIDTESA-N	-1	3	452.510	6.043	50	30		JKEAHM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccc(C(C)C)cc2)no1	ZINC000008996574	554857412	/nfs/dbraw/zinc/85/74/12/554857412.db2.gz	RQGVTPOLPTYQPW-RUZDIDTESA-N	-1	3	452.510	6.043	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(O)cc2)c1	ZINC000008996787	554857939	/nfs/dbraw/zinc/85/79/39/554857939.db2.gz	RBKZTKPRFMUWSX-JOCHJYFZSA-N	-1	3	472.522	5.102	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(OC)cc3)sc2c1	ZINC000008996807	554857948	/nfs/dbraw/zinc/85/79/48/554857948.db2.gz	VFZIJSSUYIFZTD-NRFANRHFSA-N	-1	3	476.579	5.712	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000009007639	554860989	/nfs/dbraw/zinc/86/09/89/554860989.db2.gz	UOCWMZNBLGMXMY-DEOSSOPVSA-N	-1	3	468.578	6.511	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000009007639	554860991	/nfs/dbraw/zinc/86/09/91/554860991.db2.gz	UOCWMZNBLGMXMY-DEOSSOPVSA-N	-1	3	468.578	6.511	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000009007950	554861851	/nfs/dbraw/zinc/86/18/51/554861851.db2.gz	YZYWMEPGFDERML-FQEVSTJZSA-N	-1	3	462.552	5.458	50	30		JKEAHM
N#Cc1c(SCc2nc3c4ccccc4oc3c(=O)[n-]2)nc(-c2cccs2)cc1C(F)(F)F	ZINC000009224209	554995626	/nfs/dbraw/zinc/99/56/26/554995626.db2.gz	GUQOELODXBNNJR-UHFFFAOYSA-N	-1	3	484.484	5.976	50	30		JKEAHM
Cc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009270371	555044486	/nfs/dbraw/zinc/04/44/86/555044486.db2.gz	RRWPYGGXERCUTL-HSZRJFAPSA-N	-1	3	472.541	6.144	50	30		JKEAHM
CC(C)(C)c1cc(C=[NH+][N-]c2ccc3ccccc3n2)c([O-])c(C=[NH+][N-]c2ccc3ccccc3n2)c1	ZINC000009426231	555191249	/nfs/dbraw/zinc/19/12/49/555191249.db2.gz	KKISYFASUYSQQX-QCPYDNSOSA-N	-1	3	488.595	6.678	50	30		JKEAHM
CC(C)(C)c1cc(C=NNc2ccc3ccccc3n2)c([O-])c(C=[NH+][N-]c2ccc3ccccc3n2)c1	ZINC000009426231	555191252	/nfs/dbraw/zinc/19/12/52/555191252.db2.gz	KKISYFASUYSQQX-QCPYDNSOSA-N	-1	3	488.595	6.678	50	30		JKEAHM
Cc1ccc([C@@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nccs2)cc1	ZINC000009464116	555235343	/nfs/dbraw/zinc/23/53/43/555235343.db2.gz	DBNJIRNULPOACU-RUZDIDTESA-N	-1	3	496.588	6.122	50	30		JKEAHM
CCC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccc(Br)cc3)sc2C1	ZINC000009553509	555349684	/nfs/dbraw/zinc/34/96/84/555349684.db2.gz	GTGHUKBGPZFASE-CQSZACIVSA-N	-1	3	490.492	6.050	50	30		JKEAHM
COc1ccc2c(c1)CCc1c(C(=O)[N-]c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)noc1-2	ZINC000009597959	555415307	/nfs/dbraw/zinc/41/53/07/555415307.db2.gz	WFZSOGLSFMECFP-OAHLLOKOSA-N	-1	3	461.587	5.785	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000013569313	555507509	/nfs/dbraw/zinc/50/75/09/555507509.db2.gz	VGKBPRXAXZDNGV-HSZRJFAPSA-N	-1	3	499.548	5.858	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3cccs3)sc2c1	ZINC000013570751	555509110	/nfs/dbraw/zinc/50/91/10/555509110.db2.gz	LOKHIAZYNOPXBG-SFHVURJKSA-N	-1	3	452.582	5.765	50	30		JKEAHM
COc1cc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1[O-]	ZINC000019848683	555510207	/nfs/dbraw/zinc/51/02/07/555510207.db2.gz	FLMUQYVKSWQFCH-DEOSSOPVSA-N	-1	3	496.003	5.444	50	30		JKEAHM
Cc1cc(C)nc(N=C([N-]C(=O)Nc2ccc(Cl)c(Cl)c2)N2CCc3ccccc3C2)n1	ZINC000013582482	555520229	/nfs/dbraw/zinc/52/02/29/555520229.db2.gz	VJCPCVJYPHSBFM-UHFFFAOYSA-N	-1	3	469.376	5.459	50	30		JKEAHM
C[C@H]1CCc2c(C#N)c([N-]C(=O)c3cc(-c4ccco4)nc4onc(-c5ccccc5)c43)sc2C1	ZINC000013641178	555547292	/nfs/dbraw/zinc/54/72/92/555547292.db2.gz	IIPXLUKWQQTBEF-HNNXBMFYSA-N	-1	3	480.549	6.460	50	30		JKEAHM
CC(C)CCOc1ccc(/C(CCC/C(=N/O)c2ccc(OCCC(C)C)cc2)=N\[O-])cc1	ZINC000013763786	555612906	/nfs/dbraw/zinc/61/29/06/555612906.db2.gz	WXMAQAYMFCZBMA-UKDOXLPISA-N	-1	3	454.611	6.764	50	30		JKEAHM
CCCOc1ccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1	ZINC000013843174	555632400	/nfs/dbraw/zinc/63/24/00/555632400.db2.gz	OJEQGIGTKVESKL-INIZCTEOSA-N	-1	3	455.649	5.686	50	30		JKEAHM
CCC(C)(C)[C@@H]1CCc2sc3ncnc([N-]N=C4c5cc(Br)ccc5NC4=O)c3c2C1	ZINC000025580607	556225259	/nfs/dbraw/zinc/22/52/59/556225259.db2.gz	LSDQCBQVAVQHCM-GFCCVEGCSA-N	-1	3	498.450	5.763	50	30		JKEAHM
CCCCN1C(=O)/C(=C\c2cc(Br)c([O-])c(OCC)c2)S/C1=N/c1ccccc1	ZINC000017167435	556230378	/nfs/dbraw/zinc/23/03/78/556230378.db2.gz	SNWOJSBWXDRBHZ-PDQZSPQUSA-N	-1	3	475.408	5.958	50	30		JKEAHM
[O-]c1cc2ccccc2cc1CN=Nc1nc2ccc(Br)cc2c(-c2ccccc2)n1	ZINC000027472504	556279730	/nfs/dbraw/zinc/27/97/30/556279730.db2.gz	RDPRTZXAXIGFST-JFLMPSFJSA-N	-1	3	469.342	6.364	50	30		JKEAHM
CCOc1cc(Br)c(Br)c(/C=N/c2ccc3ncccc3c2)c1[O-]	ZINC000027472033	556279820	/nfs/dbraw/zinc/27/98/20/556279820.db2.gz	BAJLGAZSDKMBLC-LSHDLFTRSA-N	-1	3	450.130	5.615	50	30		JKEAHM
Cc1cc(C)nc(N=C([N-]C(=O)Nc2ccc(Cl)cc2)NCCc2c[nH]c3ccc(Cl)cc23)n1	ZINC000018100769	556287813	/nfs/dbraw/zinc/28/78/13/556287813.db2.gz	LPKBWDKGXRTQIT-UHFFFAOYSA-N	-1	3	496.402	5.714	50	30		JKEAHM
CC[C@@H](C(=O)[N-]C(=Nc1nc(C)cc(C)n1)Nc1ccc(OCc2ccccc2)cc1)c1ccccc1	ZINC000018137949	556292856	/nfs/dbraw/zinc/29/28/56/556292856.db2.gz	GWQIXCUTDMFXFZ-HHHXNRCGSA-N	-1	3	493.611	6.922	50	30		JKEAHM
CCCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2/N=C(\C)c2ccccc2[O-])cc1OC	ZINC000027546600	556294484	/nfs/dbraw/zinc/29/44/84/556294484.db2.gz	GOCWOIVAJOQVHU-GBCYJOOSSA-N	-1	3	459.546	5.570	50	30		JKEAHM
Cc1cc(C)nc(N=C([N-]C(=O)N2c3ccccc3Sc3ccccc32)Nc2ccccc2)n1	ZINC000018165195	556297365	/nfs/dbraw/zinc/29/73/65/556297365.db2.gz	RYLRKPUFUBTETO-UHFFFAOYSA-N	-1	3	466.570	6.396	50	30		JKEAHM
Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cc(Br)ccc1[O-])C1=C(CCCC1=O)N2	ZINC000018195754	556302724	/nfs/dbraw/zinc/30/27/24/556302724.db2.gz	UPXLPNCNWBSZLS-QFIPXVFZSA-N	-1	3	464.363	5.522	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@H]2c1cccc(Cl)c1Cl	ZINC000018195394	556302783	/nfs/dbraw/zinc/30/27/83/556302783.db2.gz	ZTOUITBSUSLXAS-SFHVURJKSA-N	-1	3	454.357	5.673	50	30		JKEAHM
O=C1c2ccccc2C2=C1[C@@H](c1ccc(Br)cc1)c1c([n-]n(-c3ccccc3)c1=O)N2	ZINC000018195575	556302796	/nfs/dbraw/zinc/30/27/96/556302796.db2.gz	DYRAIOOVVIERSZ-LJQANCHMSA-N	-1	3	470.326	5.093	50	30		JKEAHM
COc1ccc(OC)c([C@@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1	ZINC000018197665	556304020	/nfs/dbraw/zinc/30/40/20/556304020.db2.gz	DAQAOKRVZSVTGR-FYSMJZIKSA-N	-1	3	499.592	5.203	50	30		JKEAHM
Cc1ccccc1CSc1ncc(Br)c(C(=O)[N-]c2sc3c(c2C#N)CCCC3)n1	ZINC000027795159	556307787	/nfs/dbraw/zinc/30/77/87/556307787.db2.gz	VLFVKNJRSOLMBO-UHFFFAOYSA-N	-1	3	499.459	5.904	50	30		JKEAHM
CCOc1ccc([C@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc1	ZINC000018200070	556307994	/nfs/dbraw/zinc/30/79/94/556307994.db2.gz	RIMJXYVXUWJJSO-MHECFPHRSA-N	-1	3	467.525	5.116	50	30		JKEAHM
O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3cccs3)C1)[C@@H]2c1cccc(F)c1	ZINC000018200573	556308192	/nfs/dbraw/zinc/30/81/92/556308192.db2.gz	UWMAJMRYCMSLOD-AOMKIAJQSA-N	-1	3	457.530	5.324	50	30		JKEAHM
COc1cc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc(Br)c1[O-]	ZINC000019535922	556353029	/nfs/dbraw/zinc/35/30/29/556353029.db2.gz	NTHOJDDTSHWATM-NRFANRHFSA-N	-1	3	490.394	5.007	50	30		JKEAHM
O=[N+]([O-])c1ccc([N-]c2nc(N=NCc3ccc(Cl)cc3)nc(NCc3ccccc3)n2)cc1	ZINC000032926558	556543552	/nfs/dbraw/zinc/54/35/52/556543552.db2.gz	CZQPHVYGFJJWLC-YSMPRRRNSA-N	-1	3	474.912	5.235	50	30		JKEAHM
Fc1c(F)c(F)c(C=N[N-]c2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c(F)c1F	ZINC000008695509	569593525	/nfs/dbraw/zinc/59/35/25/569593525.db2.gz	PERODCLXLMFLJT-IPBVOBEMSA-N	-1	3	471.393	5.500	50	30		JKEAHM
CC(=CN=Nc1nc([N-]c2ccc([N+](=O)[O-])cc2)nc(NCc2ccccc2)n1)Cc1ccccc1	ZINC000008702679	569593845	/nfs/dbraw/zinc/59/38/45/569593845.db2.gz	QMJSRBFBIAIWFJ-OTDJJOESSA-N	-1	3	480.532	5.637	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(Cl)c(C)c2)c(OC)c1	ZINC000008715755	569596399	/nfs/dbraw/zinc/59/63/99/569596399.db2.gz	NFNMOGXDIJEOQE-QHCPKHFHSA-N	-1	3	463.917	5.449	50	30		JKEAHM
CC(C)(C)c1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccccc3s2)cc1	ZINC000008715701	569596447	/nfs/dbraw/zinc/59/64/47/569596447.db2.gz	LVKQLPKRJPJTMJ-QHCPKHFHSA-N	-1	3	468.578	6.377	50	30		JKEAHM
CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccccc3s2)cc1	ZINC000008715701	569596449	/nfs/dbraw/zinc/59/64/49/569596449.db2.gz	LVKQLPKRJPJTMJ-QHCPKHFHSA-N	-1	3	468.578	6.377	50	30		JKEAHM
C=CCc1cccc([C@H]2OC(c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)=NN2C(C)=O)c1[O-]	ZINC000064567363	569619696	/nfs/dbraw/zinc/61/96/96/569619696.db2.gz	PRNBHALOLWAULO-AREMUKBSSA-N	-1	3	475.932	5.266	50	30		JKEAHM
CCCCCCCCOc1ccc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1OC	ZINC000070680834	569695680	/nfs/dbraw/zinc/69/56/80/569695680.db2.gz	PMFGUSIDXULIJE-DHLKQENFSA-N	-1	3	450.579	5.604	50	30	biogenic	JKEAHM
CCOCCCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(F)cc1	ZINC000078549877	569706311	/nfs/dbraw/zinc/70/63/11/569706311.db2.gz	RLBGCGIAKZZHPR-LJQANCHMSA-N	-1	3	452.309	5.137	50	30		JKEAHM
CCCCCCCCCCCCCCCCn1c2ccccc2nc1NCc1cc(Cl)ccc1[O-]	ZINC000097951404	569747416	/nfs/dbraw/zinc/74/74/16/569747416.db2.gz	WMDMGCHLJBADIJ-UHFFFAOYSA-N	-1	3	498.155	9.489	50	30		JKEAHM
CCc1ccc(-c2nc3ccc(/N=C/c4cc(Br)cc(OC)c4[O-])cc3o2)cc1	ZINC000098086891	569750527	/nfs/dbraw/zinc/75/05/27/569750527.db2.gz	AGFANOUYPXMHMG-DHRITJCHSA-N	-1	3	451.320	6.285	50	30		JKEAHM
COc1cc(Br)cc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1[O-]	ZINC000098086861	569750536	/nfs/dbraw/zinc/75/05/36/569750536.db2.gz	ZHVHLWBORZIGHZ-DHRITJCHSA-N	-1	3	465.303	5.912	50	30		JKEAHM
COc1cc(-c2nc3ccccn3c2/N=C/c2cc(Br)ccc2OC(C)C)ccc1[O-]	ZINC000100063450	569752208	/nfs/dbraw/zinc/75/22/08/569752208.db2.gz	ZWLOMZXFVWWQBC-VULFUBBASA-N	-1	3	480.362	6.016	50	30		JKEAHM
CCCCCCCCCCCCCCCCCCSCC/N=C\c1cc2ccccc2cc1[O-]	ZINC000100071060	569752451	/nfs/dbraw/zinc/75/24/51/569752451.db2.gz	KVQAPAOSQYKKRV-MXNGAVTRSA-N	-1	3	483.806	9.959	50	30		JKEAHM
COc1cc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc(Br)c1[O-]	ZINC000100406740	569759405	/nfs/dbraw/zinc/75/94/05/569759405.db2.gz	ADPFLIDQLNSMDP-LJQANCHMSA-N	-1	3	493.394	5.023	50	30		JKEAHM
CCOc1cc(Br)cc(/C=N/c2ccc3oc(-c4cccc(F)c4)nc3c2)c1[O-]	ZINC000100502200	569762951	/nfs/dbraw/zinc/76/29/51/569762951.db2.gz	SZZRDKLDXXLGKM-BRJLIKDPSA-N	-1	3	455.283	6.251	50	30		JKEAHM
COc1cc(Br)cc(/C=N/c2ccc(-c3nc4cc(C(C)(C)C)ccc4o3)cc2)c1[O-]	ZINC000100511281	569763336	/nfs/dbraw/zinc/76/33/36/569763336.db2.gz	OGKATDMYTKHECJ-MZJWZYIUSA-N	-1	3	479.374	7.020	50	30		JKEAHM
CCCCCCCCOc1ccc(/C=C2\SC(=S)N([N-]C(=O)c3cccnc3)C2=O)cc1	ZINC000101016100	569779497	/nfs/dbraw/zinc/77/94/97/569779497.db2.gz	ITJDABDOSJZTNE-PGMHBOJBSA-N	-1	3	469.632	5.367	50	30		JKEAHM
C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000101287239	569789293	/nfs/dbraw/zinc/78/92/93/569789293.db2.gz	IDIZQTJSQMBZLD-SBXHHDGASA-N	-1	3	472.541	5.472	50	30		JKEAHM
C=CCOc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000101294401	569790078	/nfs/dbraw/zinc/79/00/78/569790078.db2.gz	XLTDOURMIYORER-KQAPWQHSSA-N	-1	3	496.588	6.104	50	30		JKEAHM
C=CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000101294401	569790080	/nfs/dbraw/zinc/79/00/80/569790080.db2.gz	XLTDOURMIYORER-KQAPWQHSSA-N	-1	3	496.588	6.104	50	30		JKEAHM
C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc4ccccc4c3)C(=O)C(=O)N2c2cc(C)on2)c1	ZINC000101313980	569792417	/nfs/dbraw/zinc/79/24/17/569792417.db2.gz	LAJZFQBDPJUKPV-NPJIAGGLSA-N	-1	3	466.493	5.327	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@H]2c1ccc(Cl)cc1Cl	ZINC000102449859	569813300	/nfs/dbraw/zinc/81/33/00/569813300.db2.gz	AJYQKMLHNZIJQG-IBGZPJMESA-N	-1	3	454.357	5.673	50	30		JKEAHM
COc1ccc(-c2nc(NCc3ccccc3-c3ccc(CN(C)C)cc3)[n-]c(=O)c2C#N)cc1	ZINC000040130055	569817167	/nfs/dbraw/zinc/81/71/67/569817167.db2.gz	HDPSJLFOCVHCGK-UHFFFAOYSA-N	-1	3	465.557	5.070	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102874079	569826201	/nfs/dbraw/zinc/82/62/01/569826201.db2.gz	BOXQOZQBSQZYGL-COUQNMRISA-N	-1	3	488.540	5.687	50	30		JKEAHM
CCOc1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102929219	569827533	/nfs/dbraw/zinc/82/75/33/569827533.db2.gz	VZPPQYFQXZVONH-QKJBWNOYSA-N	-1	3	498.604	6.247	50	30		JKEAHM
CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102929219	569827535	/nfs/dbraw/zinc/82/75/35/569827535.db2.gz	VZPPQYFQXZVONH-QKJBWNOYSA-N	-1	3	498.604	6.247	50	30		JKEAHM
COc1cccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)c1	ZINC000102930015	569828084	/nfs/dbraw/zinc/82/80/84/569828084.db2.gz	KFRIPSJDSUEFPU-HOGKFDNTSA-N	-1	3	456.523	5.240	50	30		JKEAHM
COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccccc3s2)c1	ZINC000102930015	569828085	/nfs/dbraw/zinc/82/80/85/569828085.db2.gz	KFRIPSJDSUEFPU-HOGKFDNTSA-N	-1	3	456.523	5.240	50	30		JKEAHM
Cc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102930902	569828238	/nfs/dbraw/zinc/82/82/38/569828238.db2.gz	CVQLEJBKECUKBG-HOGKFDNTSA-N	-1	3	458.514	5.679	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2)cc1	ZINC000102930899	569828258	/nfs/dbraw/zinc/82/82/58/569828258.db2.gz	ZDVADZBKOHBRTB-BUANBSPESA-N	-1	3	454.551	5.848	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2)cc1	ZINC000102930899	569828259	/nfs/dbraw/zinc/82/82/59/569828259.db2.gz	ZDVADZBKOHBRTB-BUANBSPESA-N	-1	3	454.551	5.848	50	30		JKEAHM
COc1cccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1	ZINC000102932672	569828896	/nfs/dbraw/zinc/82/88/96/569828896.db2.gz	ZFMDVVSLMQVPGL-BUANBSPESA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1cccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1	ZINC000102932672	569828897	/nfs/dbraw/zinc/82/88/97/569828897.db2.gz	ZFMDVVSLMQVPGL-BUANBSPESA-N	-1	3	470.550	5.548	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000102933141	569828999	/nfs/dbraw/zinc/82/89/99/569828999.db2.gz	KKIWWQQWUPCUDB-JBCNATCCSA-N	-1	3	471.494	5.139	50	30		JKEAHM
Cc1ccc(N=C2C=C([N-]S(=O)(=O)c3ccc(Br)cc3)c3ccccc3C2=O)cc1	ZINC000103456456	569835177	/nfs/dbraw/zinc/83/51/77/569835177.db2.gz	UUIFVGUKGCGMFS-QLYXXIJNSA-N	-1	3	481.371	5.128	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(Br)cc2)cc1	ZINC000104085955	569840641	/nfs/dbraw/zinc/84/06/41/569840641.db2.gz	OBFYFAJXLAJRDX-MRJHHRETSA-N	-1	3	464.315	5.084	50	30		JKEAHM
[O-]c1cc(O)ccc1C=NN=C1SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1	ZINC000252590637	570083979	/nfs/dbraw/zinc/08/39/79/570083979.db2.gz	AUAAPPAJFQUMBN-UHFFFAOYSA-N	-1	3	491.576	6.502	50	30		JKEAHM
CCOc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)N(C)C2=O)cc(Br)c1[O-]	ZINC000252606647	570085629	/nfs/dbraw/zinc/08/56/29/570085629.db2.gz	GTYUYRGLSYTSDA-FIMHLPJISA-N	-1	3	467.772	5.441	50	30		JKEAHM
CCOc1cc(Br)cc(C=Nc2cc(-c3nc4ccccc4o3)ccc2C)c1[O-]	ZINC000252608121	570085805	/nfs/dbraw/zinc/08/58/05/570085805.db2.gz	HGUZRPWMMCIOGO-UHFFFAOYSA-N	-1	3	451.320	6.421	50	30		JKEAHM
[O-]c1ccccc1C=NN=C1SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccc(F)cc1	ZINC000252608561	570085816	/nfs/dbraw/zinc/08/58/16/570085816.db2.gz	HLJPAHWUDPWHOE-UHFFFAOYSA-N	-1	3	493.567	6.935	50	30		JKEAHM
CCCCCCCC1CCC(C(=O)Oc2ccc(C=Nc3ccc(CCCC)cc3)c([O-])c2)CC1	ZINC000252610355	570085999	/nfs/dbraw/zinc/08/59/99/570085999.db2.gz	IAWAEKMYGYDRDB-UHFFFAOYSA-N	-1	3	477.689	8.558	50	30		JKEAHM
CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc(Cl)c1[O-]	ZINC000252628798	570088929	/nfs/dbraw/zinc/08/89/29/570088929.db2.gz	SYAZJZLVXLBFGS-OYCLJWPKSA-N	-1	3	479.001	6.870	50	30		JKEAHM
CCOc1ccc(N=C2S/C(=C\c3ccc([O-])c(I)c3)C(=O)N2CC)cc1	ZINC000252634199	570089756	/nfs/dbraw/zinc/08/97/56/570089756.db2.gz	WKYJRAZPLQQJQD-OUCYFQBSSA-N	-1	3	494.354	5.019	50	30		JKEAHM
CC(C)CCOc1ccc(C(CCCC(=NO)c2ccc(OCCC(C)C)cc2)=N[O-])cc1	ZINC000252635513	570089843	/nfs/dbraw/zinc/08/98/43/570089843.db2.gz	WXMAQAYMFCZBMA-UHFFFAOYSA-N	-1	3	454.611	6.764	50	30		JKEAHM
Cc1[nH]c2ccccc2c1CN=Nc1nc([N-]c2ccc([N+](=O)[O-])cc2)nc(N2CCCCCC2)n1	ZINC000252636683	570089955	/nfs/dbraw/zinc/08/99/55/570089955.db2.gz	XKNZPCFRWLJJBZ-UHFFFAOYSA-N	-1	3	485.552	5.140	50	30		JKEAHM
Cc1ccc(CN2CCC(NC(=O)OCC3c4ccccc4-c4ccccc43)(C(=O)[O-])CC2)cc1	ZINC000328578983	570178954	/nfs/dbraw/zinc/17/89/54/570178954.db2.gz	DTAZQRRIOWXVPX-UHFFFAOYSA-N	-1	3	470.569	5.157	50	30		JKEAHM
CCc1c(C)sc([N-]C(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)Cl)n3n2)c1C#N	ZINC000001064310	194013076	/nfs/dbraw/zinc/01/30/76/194013076.db2.gz	TZQKIPROTRTNKI-UHFFFAOYSA-N	-1	3	477.949	5.802	50	30		JKEAHM
CC(C)(C)c1ccc(CSc2nc3ccc(/N=C/c4cc(Cl)ccc4[O-])cc3s2)cc1	ZINC000003094835	194225122	/nfs/dbraw/zinc/22/51/22/194225122.db2.gz	HPQZDVOHNIEBEZ-MZJWZYIUSA-N	-1	3	467.059	7.996	50	30		JKEAHM
COc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c1[O-]	ZINC000003113753	194227203	/nfs/dbraw/zinc/22/72/03/194227203.db2.gz	YYNJOPPDHFKCNE-KIBLKLHPSA-N	-1	3	492.156	7.029	50	30		JKEAHM
N#Cc1c([N-]C(=O)COc2ccc(Br)cc2)oc(-c2ccco2)c1-c1ccco1	ZINC000003305643	194274635	/nfs/dbraw/zinc/27/46/35/194274635.db2.gz	ASIPAZQGLKFGSF-UHFFFAOYSA-N	-1	3	453.248	5.451	50	30		JKEAHM
C[C@H]1CCc2c(C#N)c(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccccc4Cl)c3)sc2C1	ZINC000003621110	194341979	/nfs/dbraw/zinc/34/19/79/194341979.db2.gz	DKDUGIGDDYEKFP-AWEZNQCLSA-N	-1	3	486.018	5.451	50	30		JKEAHM
Cc1ccc(N=C2C=C([N-]S(=O)(=O)c3ccc(Br)cc3)c3ccccc3C2=O)cc1	ZINC000012620835	195056928	/nfs/dbraw/zinc/05/69/28/195056928.db2.gz	UUIFVGUKGCGMFS-YYADALCUSA-N	-1	3	481.371	5.128	50	30		JKEAHM
CCOc1cccc2cc(C(=O)[N-]c3sc4c(c3C#N)CCN(Cc3ccccc3)C4)oc21	ZINC000020886037	195236399	/nfs/dbraw/zinc/23/63/99/195236399.db2.gz	DVDHEKFDXLRMCN-UHFFFAOYSA-N	-1	3	457.555	5.575	50	30		JKEAHM
Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)s1	ZINC000102368621	130121987	/nfs/dbraw/zinc/12/19/87/130121987.db2.gz	CQRDVTOOXCRKHV-MOBKVPTQSA-N	-1	3	491.613	5.558	50	30		JKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000102368626	130122121	/nfs/dbraw/zinc/12/21/21/130122121.db2.gz	KLYJDYAUAUUOSF-NXLSWJSLSA-N	-1	3	474.557	5.694	50	30		JKEAHM
O=C(C=Cc1ccccc1)C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1F	ZINC000102438128	130132033	/nfs/dbraw/zinc/13/20/33/130132033.db2.gz	SWETWLIZSGTZEL-SJNBJEQYSA-N	-1	3	467.418	6.027	50	30		JKEAHM
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2F)C1=C([O-])C=Cc1ccccc1	ZINC000102438128	130132035	/nfs/dbraw/zinc/13/20/35/130132035.db2.gz	SWETWLIZSGTZEL-SJNBJEQYSA-N	-1	3	467.418	6.027	50	30		JKEAHM
CCOc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102484343	130137972	/nfs/dbraw/zinc/13/79/72/130137972.db2.gz	WRWJWHWGBACINA-MRJHHRETSA-N	-1	3	476.579	5.691	50	30		JKEAHM
COc1cccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1	ZINC000102489989	130143848	/nfs/dbraw/zinc/14/38/48/130143848.db2.gz	VHDRWHVCHOGKFA-PGVNHDJNSA-N	-1	3	476.579	5.610	50	30		JKEAHM
COc1cccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1	ZINC000102489976	130143929	/nfs/dbraw/zinc/14/39/29/130143929.db2.gz	VHDRWHVCHOGKFA-OBVHCKHUSA-N	-1	3	476.579	5.610	50	30		JKEAHM
COC(=O)c1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102492914	130147691	/nfs/dbraw/zinc/14/76/91/130147691.db2.gz	DNQPIGDJTCWVBI-HOGKFDNTSA-N	-1	3	484.533	5.018	50	30		JKEAHM
COc1ccccc1[C@H]1C(=C([O-])c2ccc(C)cc2)C(=O)C(=O)N1c1nc2ccccc2s1	ZINC000102500531	130154634	/nfs/dbraw/zinc/15/46/34/130154634.db2.gz	BDUIQGQFZAONFQ-MOBKVPTQSA-N	-1	3	456.523	5.240	50	30		JKEAHM
COc1ccccc1[C@H]1C(C(=O)c2ccc(C)cc2)=C([O-])C(=O)N1c1nc2ccccc2s1	ZINC000102500531	130154637	/nfs/dbraw/zinc/15/46/37/130154637.db2.gz	BDUIQGQFZAONFQ-MOBKVPTQSA-N	-1	3	456.523	5.240	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000102500843	130154988	/nfs/dbraw/zinc/15/49/88/130154988.db2.gz	TVPQEQVUNCXYMG-HOGKFDNTSA-N	-1	3	474.969	6.193	50	30		JKEAHM
CC(C)c1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000102502462	130156441	/nfs/dbraw/zinc/15/64/41/130156441.db2.gz	MOOHCOVKBZLQSF-AYWGPLOBSA-N	-1	3	472.541	6.185	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(C)cc3)sc2c1	ZINC000102504357	130158167	/nfs/dbraw/zinc/15/81/67/130158167.db2.gz	VRYOJCFXSNVOLB-HOGKFDNTSA-N	-1	3	456.523	5.240	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102504460	130158690	/nfs/dbraw/zinc/15/86/90/130158690.db2.gz	JMTRQTXSYVRPGQ-MOBKVPTQSA-N	-1	3	485.521	5.448	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102505796	130159971	/nfs/dbraw/zinc/15/99/71/130159971.db2.gz	SEMJFJNZNHSNPR-NXLSWJSLSA-N	-1	3	468.578	6.354	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102505796	130159975	/nfs/dbraw/zinc/15/99/75/130159975.db2.gz	SEMJFJNZNHSNPR-NXLSWJSLSA-N	-1	3	468.578	6.354	50	30		JKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)C)cc2)sc1C	ZINC000102507594	130161845	/nfs/dbraw/zinc/16/18/45/130161845.db2.gz	GJQFWRLROUOCDO-MRJHHRETSA-N	-1	3	466.990	6.163	50	30		JKEAHM
Cc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102520952	130173661	/nfs/dbraw/zinc/17/36/61/130173661.db2.gz	WXGPYZOJSQLIKS-COUQNMRISA-N	-1	3	454.551	5.848	50	30		JKEAHM
Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102520952	130173664	/nfs/dbraw/zinc/17/36/64/130173664.db2.gz	WXGPYZOJSQLIKS-COUQNMRISA-N	-1	3	454.551	5.848	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccc(C(C)C)cc3)nc2c(C)c1	ZINC000102522577	130174860	/nfs/dbraw/zinc/17/48/60/130174860.db2.gz	HKWOZFPXMZSARL-BUANBSPESA-N	-1	3	472.566	6.256	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102523511	130176243	/nfs/dbraw/zinc/17/62/43/130176243.db2.gz	WZPQJSRYWNIJRM-MOBKVPTQSA-N	-1	3	458.539	5.947	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3cccc(OC)c3)sc2c1	ZINC000102527588	130179909	/nfs/dbraw/zinc/17/99/09/130179909.db2.gz	MMXIKDJMJWANJY-AYWGPLOBSA-N	-1	3	486.549	5.248	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccc(C)cc3)sc2c1	ZINC000102528451	130181478	/nfs/dbraw/zinc/18/14/78/130181478.db2.gz	USIJYJLHIBETBV-AYWGPLOBSA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102536428	130191474	/nfs/dbraw/zinc/19/14/74/130191474.db2.gz	MKDPWYSTPVQHJI-COUQNMRISA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102536428	130191475	/nfs/dbraw/zinc/19/14/75/130191475.db2.gz	MKDPWYSTPVQHJI-COUQNMRISA-N	-1	3	470.550	5.548	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000102536801	130191822	/nfs/dbraw/zinc/19/18/22/130191822.db2.gz	WZSXKMCLCCLHKM-MRJHHRETSA-N	-1	3	460.942	5.884	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2)cc1	ZINC000102538280	130193150	/nfs/dbraw/zinc/19/31/50/130193150.db2.gz	QZQUKCXVEPYVRW-UVDRRRQGSA-N	-1	3	484.577	5.938	50	30		JKEAHM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2)cc1	ZINC000102538280	130193152	/nfs/dbraw/zinc/19/31/52/130193152.db2.gz	QZQUKCXVEPYVRW-UVDRRRQGSA-N	-1	3	484.577	5.938	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1Cl	ZINC000102540191	130195257	/nfs/dbraw/zinc/19/52/57/130195257.db2.gz	MDFVHBLWZSHTTA-ZHHPLPSFSA-N	-1	3	476.960	5.667	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2Cl)cc1	ZINC000102540534	130196058	/nfs/dbraw/zinc/19/60/58/130196058.db2.gz	VAFYJCNIGYMNEF-NHFXJNLRSA-N	-1	3	458.297	5.217	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102540670	130196089	/nfs/dbraw/zinc/19/60/89/130196089.db2.gz	NYMPRWMTGMDGST-HOGKFDNTSA-N	-1	3	474.513	5.379	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2Cl)cc1	ZINC000102540543	130196111	/nfs/dbraw/zinc/19/61/11/130196111.db2.gz	VAFYJCNIGYMNEF-YDJIHCHBSA-N	-1	3	458.297	5.217	50	30		JKEAHM
O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	ZINC000102548126	130202134	/nfs/dbraw/zinc/20/21/34/130202134.db2.gz	WJKOFGVMZDRSOV-LFVOPCPISA-N	-1	3	462.716	5.862	50	30		JKEAHM
CCCOc1ccc([C@@H]2C(=C([O-])c3ccc4ccccc4c3)C(=O)C(=O)N2c2cc(C)on2)cc1	ZINC000102562688	130210082	/nfs/dbraw/zinc/21/00/82/130210082.db2.gz	KPWNVBQKCNZPAV-NPJIAGGLSA-N	-1	3	468.509	5.551	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc(C)cc2)cc1	ZINC000102680618	130236459	/nfs/dbraw/zinc/23/64/59/130236459.db2.gz	VNLXBWGQRVXUKG-MOBKVPTQSA-N	-1	3	451.444	5.949	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3cccc(OC)c3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102694831	130240824	/nfs/dbraw/zinc/24/08/24/130240824.db2.gz	XRYRIBAOFPDCPS-ZHHPLPSFSA-N	-1	3	486.549	5.248	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)c(C)c4)[C@H]3c3cccs3)sc2c1	ZINC000102702736	130248295	/nfs/dbraw/zinc/24/82/95/130248295.db2.gz	SUBLYHJHJQVLLX-JBCNATCCSA-N	-1	3	492.578	5.310	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102704077	130249265	/nfs/dbraw/zinc/24/92/65/130249265.db2.gz	DFQPGLJOBKHXSB-AYWGPLOBSA-N	-1	3	460.530	5.306	50	30		JKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc4ccccc4c3)[C@@H]2c2ccc(C(C)C)cc2)no1	ZINC000102711936	130258648	/nfs/dbraw/zinc/25/86/48/130258648.db2.gz	JMUMDAHDFZZFRG-IUKMQXEJSA-N	-1	3	452.510	5.886	50	30		JKEAHM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccc(C(C)C)cc2)no1	ZINC000102711936	130258650	/nfs/dbraw/zinc/25/86/50/130258650.db2.gz	JMUMDAHDFZZFRG-IUKMQXEJSA-N	-1	3	452.510	5.886	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C)s3)[C@H]2c2cccc3ccccc32)cc1	ZINC000102717335	130263781	/nfs/dbraw/zinc/26/37/81/130263781.db2.gz	OOWJSWFGRCGYPA-MOBKVPTQSA-N	-1	3	471.538	5.025	50	30		JKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc4ccccc4c3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000102719741	130265370	/nfs/dbraw/zinc/26/53/70/130265370.db2.gz	BUQRWBPXFQIFOE-IUKMQXEJSA-N	-1	3	466.537	6.060	50	30		JKEAHM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000102719741	130265374	/nfs/dbraw/zinc/26/53/74/130265374.db2.gz	BUQRWBPXFQIFOE-IUKMQXEJSA-N	-1	3	466.537	6.060	50	30		JKEAHM
C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1	ZINC000102735432	130279956	/nfs/dbraw/zinc/27/99/56/130279956.db2.gz	GPJGTWMOIIVBCG-CBLITQMPSA-N	-1	3	474.582	5.390	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3ccc(O)cc3)sc2c1	ZINC000102771176	130296119	/nfs/dbraw/zinc/29/61/19/130296119.db2.gz	AOHABQPCTVVWBB-AIKCTZLLSA-N	-1	3	498.560	5.260	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102799212	130307478	/nfs/dbraw/zinc/30/74/78/130307478.db2.gz	BRWSFDBRXDKDSK-MRJHHRETSA-N	-1	3	462.571	5.466	50	30		JKEAHM
COc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(Br)cc2)c1	ZINC000102799298	130308114	/nfs/dbraw/zinc/30/81/14/130308114.db2.gz	IIHIALKNSYYHDA-JBCNATCCSA-N	-1	3	464.315	5.084	50	30		JKEAHM
COc1ccccc1[C@@H]1C(=C([O-])c2ccc(C)cc2)C(=O)C(=O)N1c1nc2ccc(F)cc2s1	ZINC000102800252	130309474	/nfs/dbraw/zinc/30/94/74/130309474.db2.gz	ZFVFBRPLMIHCTG-HOGKFDNTSA-N	-1	3	474.513	5.379	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cccc(Br)c2)c(OC)c1	ZINC000102800905	130310171	/nfs/dbraw/zinc/31/01/71/130310171.db2.gz	ZZHKMYBCHBSLIY-HOGKFDNTSA-N	-1	3	494.341	5.093	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cccc(Br)c2)cc1	ZINC000102803223	130310707	/nfs/dbraw/zinc/31/07/07/130310707.db2.gz	YXTIWNVXAQBCIC-MRJHHRETSA-N	-1	3	464.315	5.084	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000102865784	130338267	/nfs/dbraw/zinc/33/82/67/130338267.db2.gz	YUSQYFIADFMSHU-HOGKFDNTSA-N	-1	3	472.566	6.122	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102865670	130338334	/nfs/dbraw/zinc/33/83/34/130338334.db2.gz	HBOPLODVHPWNQJ-PGVNHDJNSA-N	-1	3	476.579	5.610	50	30		JKEAHM
COc1ccc(OC)c([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)c1	ZINC000102875412	130347673	/nfs/dbraw/zinc/34/76/73/130347673.db2.gz	CIRPDDVQNWTLGT-ZHHPLPSFSA-N	-1	3	486.549	5.248	50	30		JKEAHM
COc1ccccc1[C@@H]1C(=C([O-])c2cccs2)C(=O)C(=O)N1c1nc2c(cc(C)cc2C)s1	ZINC000102877664	130351007	/nfs/dbraw/zinc/35/10/07/130351007.db2.gz	FEVOMRHVUPYPOJ-OBVHCKHUSA-N	-1	3	476.579	5.610	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000102879838	130355100	/nfs/dbraw/zinc/35/51/00/130355100.db2.gz	ANHYTPWEHXYVCC-MOBKVPTQSA-N	-1	3	458.514	5.679	50	30		JKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)sc1C	ZINC000102882935	130362161	/nfs/dbraw/zinc/36/21/61/130362161.db2.gz	RIHXUNIHLUDUSV-MRJHHRETSA-N	-1	3	481.017	6.337	50	30		JKEAHM
COc1ccc(OC)c([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000102884266	130365738	/nfs/dbraw/zinc/36/57/38/130365738.db2.gz	NLAWSVOVSWVEDD-ZHHPLPSFSA-N	-1	3	486.549	5.248	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000102886038	130366755	/nfs/dbraw/zinc/36/67/55/130366755.db2.gz	YHPKTFRQCRIXDQ-NPJIAGGLSA-N	-1	3	498.604	6.192	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(CC)cc4s3)[C@H]2c2ccccc2)cc1	ZINC000102889747	130371232	/nfs/dbraw/zinc/37/12/32/130371232.db2.gz	KNUAAKBPLFWAKV-NXLSWJSLSA-N	-1	3	484.577	5.884	50	30		JKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)no1	ZINC000102891793	130373288	/nfs/dbraw/zinc/37/32/88/130373288.db2.gz	LNLOEMNDZMSPCM-CZNAVJSXSA-N	-1	3	480.520	5.497	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3)sc2c1	ZINC000102897389	130379657	/nfs/dbraw/zinc/37/96/57/130379657.db2.gz	TUQMNKGVQIPMTN-BBHOXHGRSA-N	-1	3	498.560	5.255	50	30		JKEAHM
C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000009271828	519025346	/nfs/dbraw/zinc/02/53/46/519025346.db2.gz	GFTIWEGLMKUOJQ-RUZDIDTESA-N	-1	3	454.526	5.553	50	30		JKEAHM
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000009271828	519025354	/nfs/dbraw/zinc/02/53/54/519025354.db2.gz	GFTIWEGLMKUOJQ-RUZDIDTESA-N	-1	3	454.526	5.553	50	30		JKEAHM
C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4ccccc4c3)C(=O)C(=O)N2c2cc(C)on2)cc1	ZINC000009313024	519048608	/nfs/dbraw/zinc/04/86/08/519048608.db2.gz	MPPTUHBVWITWKG-VWLOTQADSA-N	-1	3	466.493	5.484	50	30		JKEAHM
CC(C)(C)c1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000009274266	519048648	/nfs/dbraw/zinc/04/86/48/519048648.db2.gz	HEPVPXXZEONPBY-OAQYLSRUSA-N	-1	3	492.597	6.577	50	30		JKEAHM
C=CCn1c(CSc2nc3sc4c(c3c(=O)[n-]2)CCC4)nnc1SC/C=C\c1ccccc1	ZINC000004467426	519190597	/nfs/dbraw/zinc/19/05/97/519190597.db2.gz	SAPDOKLWZDCCAB-YFHOEESVSA-N	-1	3	493.683	5.349	50	30		JKEAHM
CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2Cl)cc1	ZINC000009413141	519778478	/nfs/dbraw/zinc/77/84/78/519778478.db2.gz	DVDCVIHENVMENX-QHCPKHFHSA-N	-1	3	497.378	5.954	50	30		JKEAHM
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)C(=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1	ZINC000048860858	519825944	/nfs/dbraw/zinc/82/59/44/519825944.db2.gz	MLPGAKGZEUFMJF-ZLEPXXLCSA-N	-1	3	468.510	5.323	50	30		JKEAHM
CCCC(=O)Nc1ccc(/N=C/c2c([O-])c(OC)cc(Br)c2Br)cc1	ZINC000009144600	519877504	/nfs/dbraw/zinc/87/75/04/519877504.db2.gz	IGNOXLMUUIWRKC-UFFVCSGVSA-N	-1	3	470.161	5.415	50	30		JKEAHM
CCCCCCOc1ccc(NC(=O)[C@H]2CC(=O)[N-]/C(=N\N=C(/C)c3cccs3)S2)cc1	ZINC000009215674	520106310	/nfs/dbraw/zinc/10/63/10/520106310.db2.gz	OAUZLVPBLLINTE-RHKYMZEHSA-N	-1	3	472.636	5.048	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)C1[C@@H]2c1cc(Br)ccc1[O-]	ZINC000005110422	520258322	/nfs/dbraw/zinc/25/83/22/520258322.db2.gz	MPCAZQCVJGAEFT-LJQANCHMSA-N	-1	3	450.332	5.667	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@H]2c1ccc(OCc2ccccc2)cc1	ZINC000012346883	520259783	/nfs/dbraw/zinc/25/97/83/520259783.db2.gz	WOWKMVNIAUZKNE-SANMLTNESA-N	-1	3	491.591	5.945	50	30		JKEAHM
CCCCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nccs2)c1	ZINC000009293036	520909346	/nfs/dbraw/zinc/90/93/46/520909346.db2.gz	RERIZLTVWAMVMN-WAIKUNEKSA-N	-1	3	490.581	5.428	50	30		JKEAHM
CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nccs2)c1	ZINC000009293037	520909701	/nfs/dbraw/zinc/90/97/01/520909701.db2.gz	RERIZLTVWAMVMN-MWTRTKDXSA-N	-1	3	490.581	5.428	50	30		JKEAHM
CC1CCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cc4cc(Br)ccc4o2)O3)CC1	ZINC000020649544	521023465	/nfs/dbraw/zinc/02/34/65/521023465.db2.gz	QXYZDJUDJLYPHT-UUYOSTAYSA-N	-1	3	468.347	5.749	50	30		JKEAHM
CCOc1ccc([C@H]2C(=C([O-])c3ccc4ccccc4c3)C(=O)C(=O)N2c2cc(C)on2)cc1	ZINC000009361157	521266258	/nfs/dbraw/zinc/26/62/58/521266258.db2.gz	PLALODIVXOOUTN-DEOSSOPVSA-N	-1	3	454.482	5.318	50	30		JKEAHM
CCOc1ccc([C@H]2C(=C([O-])c3ccc4ccccc4c3)C(=O)C(=O)N2c2cc(C)on2)cc1OC	ZINC000009244255	521268270	/nfs/dbraw/zinc/26/82/70/521268270.db2.gz	MJKREVRXYIFGTH-VWLOTQADSA-N	-1	3	484.508	5.326	50	30		JKEAHM
COc1c2c(cc3c1[C@@H](C/C(=N/[O-])c1cc(C(C)(C)C)cc4c1CCC4(C)C)N(C)CC3)OCO2	ZINC000020411365	521884882	/nfs/dbraw/zinc/88/48/82/521884882.db2.gz	COTWGGIERJHNGH-QCWHOWFGSA-N	-1	3	478.633	5.743	50	30	biogenic	JKEAHM
COc1cc([C@@H]2Nc3ccccc3C(=O)N2/N=C(\C)c2ccccc2[O-])ccc1OCc1ccccc1	ZINC000016136716	522928292	/nfs/dbraw/zinc/92/82/92/522928292.db2.gz	XFKUSFBRRBBNLC-XIOXGIFKSA-N	-1	3	493.563	5.971	50	30		JKEAHM
COc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(OC)c(O)c4)cc3)cc2)cc1[O-]	ZINC000015133741	523453182	/nfs/dbraw/zinc/45/31/82/523453182.db2.gz	WSCXZIUGXQMTCU-YAGSLNJISA-N	-1	3	452.510	6.283	50	30	biogenic	JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2F)cc1C	ZINC000009350319	523567808	/nfs/dbraw/zinc/56/78/08/523567808.db2.gz	PWPPMHAWZLYWEX-QHCPKHFHSA-N	-1	3	488.540	5.844	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000009008680	523568202	/nfs/dbraw/zinc/56/82/02/523568202.db2.gz	YJIHWZSZFUYSIK-XMMPIXPASA-N	-1	3	484.577	6.013	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000009008680	523568212	/nfs/dbraw/zinc/56/82/12/523568212.db2.gz	YJIHWZSZFUYSIK-XMMPIXPASA-N	-1	3	484.577	6.013	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2)cc1C	ZINC000008894969	523568632	/nfs/dbraw/zinc/56/86/32/523568632.db2.gz	RIJMTBGSRSKTDL-XMMPIXPASA-N	-1	3	484.577	6.013	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2)cc1C	ZINC000008894969	523568642	/nfs/dbraw/zinc/56/86/42/523568642.db2.gz	RIJMTBGSRSKTDL-XMMPIXPASA-N	-1	3	484.577	6.013	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(F)c2)cc1	ZINC000009046476	523569154	/nfs/dbraw/zinc/56/91/54/523569154.db2.gz	XUOLNOCUXBMEJS-JOCHJYFZSA-N	-1	3	474.513	5.535	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(OC)c2)cc1	ZINC000009271460	523569182	/nfs/dbraw/zinc/56/91/82/523569182.db2.gz	YSTAJFLCRMMFCS-HSZRJFAPSA-N	-1	3	486.549	5.405	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000009043989	523569468	/nfs/dbraw/zinc/56/94/68/523569468.db2.gz	DOIWUPLHJZDLKL-HSZRJFAPSA-N	-1	3	486.549	5.405	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccccc2)cc1	ZINC000009065057	523571246	/nfs/dbraw/zinc/57/12/46/523571246.db2.gz	FONPGJKORQOGCA-QFIPXVFZSA-N	-1	3	472.522	5.096	50	30		JKEAHM
COc1cccc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1	ZINC000009237508	524107326	/nfs/dbraw/zinc/10/73/26/524107326.db2.gz	NDFUAZBQJCMAMX-JOCHJYFZSA-N	-1	3	474.538	5.606	50	30		JKEAHM
Cc1cc(C(C)(C)C)ccc1[N-]S(=O)(=O)c1ccc(Oc2cccc(Cl)c2C#N)cc1	ZINC000008618228	524201964	/nfs/dbraw/zinc/20/19/64/524201964.db2.gz	UDGZWUMUJDZFCF-UHFFFAOYSA-N	-1	3	454.979	6.411	50	30		JKEAHM
Cc1ccc(CSc2ncc(Br)c(C(=O)[N-]c3sc4c(c3C#N)CCCC4)n2)cc1	ZINC000027794871	524649449	/nfs/dbraw/zinc/64/94/49/524649449.db2.gz	QXFMGQCPBNOBEB-UHFFFAOYSA-N	-1	3	499.459	5.904	50	30		JKEAHM
COc1ccccc1[C@@H]1C(=C([O-])c2cccs2)C(=O)C(=O)N1c1nc2ccc(C)cc2s1	ZINC000009185113	524746464	/nfs/dbraw/zinc/74/64/64/524746464.db2.gz	RXAKGIJFIXLRAY-HXUWFJFHSA-N	-1	3	462.552	5.458	50	30		JKEAHM
COc1ccccc1[C@@H]1C(=C([O-])c2ccc(Cl)cc2)C(=O)C(=O)N1c1nc2ccc(C)cc2s1	ZINC000009273213	524747458	/nfs/dbraw/zinc/74/74/58/524747458.db2.gz	TVDAMGVGORVIFT-JOCHJYFZSA-N	-1	3	490.968	6.050	50	30		JKEAHM
COc1ccccc1[C@H]1C(=C([O-])c2ccccc2)C(=O)C(=O)N1c1cccc(Br)c1	ZINC000009272512	524804418	/nfs/dbraw/zinc/80/44/18/524804418.db2.gz	ZJKIDXVMCGTWGJ-NRFANRHFSA-N	-1	3	464.315	5.241	50	30		JKEAHM
COc1ccc(OC)c([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)c1	ZINC000009271907	524890610	/nfs/dbraw/zinc/89/06/10/524890610.db2.gz	CAZSKPFHINDXFC-HSZRJFAPSA-N	-1	3	486.549	5.405	50	30		JKEAHM
C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1	ZINC000009123781	524976220	/nfs/dbraw/zinc/97/62/20/524976220.db2.gz	JPTIBPJAVQXKAX-OYHNWAKOSA-N	-1	3	474.582	5.547	50	30		JKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccc(OCc3ccccc3)cc2)no1	ZINC000009359472	525050012	/nfs/dbraw/zinc/05/00/12/525050012.db2.gz	AHUKXSVCUUGTLV-AREMUKBSSA-N	-1	3	480.520	5.653	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])C=Cc3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)c(OC)c1	ZINC000009359476	525215998	/nfs/dbraw/zinc/21/59/98/525215998.db2.gz	UPAJZNFCZMYQMN-YZGDDWERSA-N	-1	3	455.510	5.195	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000009241134	525220078	/nfs/dbraw/zinc/22/00/78/525220078.db2.gz	JNPQESOZNSTTFL-HSZRJFAPSA-N	-1	3	486.549	5.405	50	30		JKEAHM
COc1ccc([C@@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1	ZINC000009130365	525279846	/nfs/dbraw/zinc/27/98/46/525279846.db2.gz	GCPXTLBSNXVMGC-CPJSRVTESA-N	-1	3	463.537	5.545	50	30		JKEAHM
COc1ccc([C@@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OC	ZINC000012349600	525279943	/nfs/dbraw/zinc/27/99/43/525279943.db2.gz	BLERLRITPDEZDF-XDHUDOTRSA-N	-1	3	499.592	5.203	50	30		JKEAHM
Cc1cc([O-])c(CN2CCCC2)c2c1C(=O)/C(=C/c1cc3cc(Br)ccc3o1)O2	ZINC000020625263	525314231	/nfs/dbraw/zinc/31/42/31/525314231.db2.gz	SNJDWICKKYRDDV-JAIQZWGSSA-N	-1	3	454.320	5.421	50	30		JKEAHM
Cc1ccc(Nc2nc(N=NCc3ccccc3C)nc([N-]c3ccc([N+](=O)[O-])cc3)n2)cc1C	ZINC000008872775	525327775	/nfs/dbraw/zinc/32/77/75/525327775.db2.gz	NJVJXJVDYSZNKI-CVKSISIWSA-N	-1	3	468.521	5.638	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])C=Cc3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)c(OC)c1	ZINC000009374208	525382959	/nfs/dbraw/zinc/38/29/59/525382959.db2.gz	UPAJZNFCZMYQMN-UMEWRJQLSA-N	-1	3	455.510	5.195	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1OC	ZINC000009270730	525392084	/nfs/dbraw/zinc/39/20/84/525392084.db2.gz	QXJVELDPJUWENR-QHCPKHFHSA-N	-1	3	486.549	5.405	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccc(C)cc3)sc2c1	ZINC000009270848	525668842	/nfs/dbraw/zinc/66/88/42/525668842.db2.gz	PEFLMXQCOAZYKR-HSZRJFAPSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000009271360	525669161	/nfs/dbraw/zinc/66/91/61/525669161.db2.gz	XBWMUQCSYXCPFX-QFIPXVFZSA-N	-1	3	490.606	6.273	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(Cl)cc3)nc2c(C)c1	ZINC000009044064	525697782	/nfs/dbraw/zinc/69/77/82/525697782.db2.gz	XMOYKXRISSLFKP-JOCHJYFZSA-N	-1	3	474.969	6.349	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccccc3F)nc2c(C)c1	ZINC000009186603	525698156	/nfs/dbraw/zinc/69/81/56/525698156.db2.gz	FPWLEGGMPDECHU-QFIPXVFZSA-N	-1	3	458.514	5.835	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccccc3F)nc2c(C)c1	ZINC000009186602	525698608	/nfs/dbraw/zinc/69/86/08/525698608.db2.gz	FPWLEGGMPDECHU-JOCHJYFZSA-N	-1	3	458.514	5.835	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3cccc(Cl)c3)nc2c(C)c1	ZINC000009241359	525698736	/nfs/dbraw/zinc/69/87/36/525698736.db2.gz	CYXPDCORRYXUED-JOCHJYFZSA-N	-1	3	474.969	6.349	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3ccccc3)nc2c(C)c1	ZINC000009424933	525698967	/nfs/dbraw/zinc/69/89/67/525698967.db2.gz	WAONMKYSPLHCHZ-XMMPIXPASA-N	-1	3	498.560	5.467	50	30		JKEAHM
Cc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000009122159	525985397	/nfs/dbraw/zinc/98/53/97/525985397.db2.gz	FCXMRVJUNNVINF-QFIPXVFZSA-N	-1	3	474.969	6.349	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2)cc1	ZINC000009271152	526027750	/nfs/dbraw/zinc/02/77/50/526027750.db2.gz	YEMBRXVJXDKYTF-HSZRJFAPSA-N	-1	3	454.551	6.004	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2)cc1	ZINC000009271152	526027761	/nfs/dbraw/zinc/02/77/61/526027761.db2.gz	YEMBRXVJXDKYTF-HSZRJFAPSA-N	-1	3	454.551	6.004	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccccc2Cl)cc1	ZINC000009065735	526029802	/nfs/dbraw/zinc/02/98/02/526029802.db2.gz	GZGDQUTYTIDJTH-OAQYLSRUSA-N	-1	3	460.942	6.041	50	30		JKEAHM
C[C@H]1CCCCN1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc(Br)cc3c1OCOC3)O2	ZINC000020663605	526251520	/nfs/dbraw/zinc/25/15/20/526251520.db2.gz	GIJKNETWGHIMNQ-LKEIMFIWSA-N	-1	3	486.362	5.012	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3cccnc3)sc2c1	ZINC000009360504	526252414	/nfs/dbraw/zinc/25/24/14/526252414.db2.gz	YSDQWNAQTOVVDJ-NPMXOYFQSA-N	-1	3	483.549	5.106	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3)sc2c1	ZINC000009374344	526252629	/nfs/dbraw/zinc/25/26/29/526252629.db2.gz	KDLVOPOVKJMMPZ-GYCJOSAFSA-N	-1	3	482.561	5.711	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3)sc2c1	ZINC000009374344	526252634	/nfs/dbraw/zinc/25/26/34/526252634.db2.gz	KDLVOPOVKJMMPZ-GYCJOSAFSA-N	-1	3	482.561	5.711	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@H]3c3cccs3)sc2c1	ZINC000009190627	526252692	/nfs/dbraw/zinc/25/26/92/526252692.db2.gz	NXQYQCSQDJFHOU-OAQYLSRUSA-N	-1	3	490.562	5.220	50	30		JKEAHM
O=C(C1=C([O-])C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	ZINC000009272967	526268778	/nfs/dbraw/zinc/26/87/78/526268778.db2.gz	VTCPTSZDDCYPDE-DNVCBOLYSA-N	-1	3	466.748	5.404	50	30		JKEAHM
[O-]c1ccc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(I)cc3)nc2c1	ZINC000003060298	526346004	/nfs/dbraw/zinc/34/60/04/526346004.db2.gz	HEQMNUMAQDYHQM-FOKLQQMPSA-N	-1	3	474.685	6.209	50	30		JKEAHM
Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)s1	ZINC000009541807	526353983	/nfs/dbraw/zinc/35/39/83/526353983.db2.gz	DPNGNOZCPKWKHB-RCDICMHDSA-N	-1	3	475.570	5.076	50	30		JKEAHM
Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C(C)C)cc2)s1	ZINC000009541814	526354672	/nfs/dbraw/zinc/35/46/72/526354672.db2.gz	DPNGNOZCPKWKHB-JLCFBVMHSA-N	-1	3	475.570	5.076	50	30		JKEAHM
N#Cc1c2c(sc1NC(=O)CSc1nnc(-c3ccccc3[O-])n1-c1ccccc1)CCCC2	ZINC000012468440	526532467	/nfs/dbraw/zinc/53/24/67/526532467.db2.gz	FUGKYNGSNZCCCZ-UHFFFAOYSA-N	-1	3	487.610	5.183	50	30		JKEAHM
N=C(Nc1ccc(Oc2ccccc2)cc1)Nc1nc(CSc2ccc(Cl)cc2)cc(=O)[n-]1	ZINC000009313261	526811858	/nfs/dbraw/zinc/81/18/58/526811858.db2.gz	LTZKITOERKVSAL-UHFFFAOYSA-N	-1	3	477.977	5.566	50	30		JKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2cccc(Br)c2)sc1C	ZINC000009271450	526960868	/nfs/dbraw/zinc/96/08/68/526960868.db2.gz	QBWJLQDMBDUGMX-IBGZPJMESA-N	-1	3	483.387	5.614	50	30		JKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccc(Br)cc2)sc1C	ZINC000009044983	526961302	/nfs/dbraw/zinc/96/13/02/526961302.db2.gz	OIGWQFMSLUPMID-LJQANCHMSA-N	-1	3	483.387	5.614	50	30		JKEAHM
O=C1[N-]/C(=N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)S[C@H]1Cc1cccc(Cl)c1	ZINC000009363689	527041093	/nfs/dbraw/zinc/04/10/93/527041093.db2.gz	XLNAAHMOQOKEIA-ZDZUNBPVSA-N	-1	3	478.788	6.071	50	30		JKEAHM
O=C(CSc1nc2ccc(/N=C/c3ccccc3[O-])cc2s1)NCCOc1ccccc1	ZINC000003668523	527059577	/nfs/dbraw/zinc/05/95/77/527059577.db2.gz	VIEFMBBYEZLJNS-CVKSISIWSA-N	-1	3	463.584	5.040	50	30		JKEAHM
O=[N+]([O-])c1ccc([N-]c2nc(N=NCc3c(O)ccc4ccccc43)nc(Nc3ccccc3)n2)cc1	ZINC000014921124	527369432	/nfs/dbraw/zinc/36/94/32/527369432.db2.gz	COKODLPGWAMZMJ-YUMHPJSZSA-N	-1	3	492.499	5.572	50	30		JKEAHM
O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1cccc(OCc2ccccc2)c1	ZINC000012347922	527456441	/nfs/dbraw/zinc/45/64/41/527456441.db2.gz	KBYYRWJOJWROTJ-VWLOTQADSA-N	-1	3	463.537	5.309	50	30		JKEAHM
O=C([N-]c1nc(-c2ccc(Cl)c(Cl)c2)cn1/N=C/c1ccccc1)Nc1cc(F)cc(F)c1	ZINC000020616431	527498495	/nfs/dbraw/zinc/49/84/95/527498495.db2.gz	FGWOTBOEBXNCJN-KVSWJAHQSA-N	-1	3	486.309	6.661	50	30		JKEAHM
O=C(C=Cc1ccccc1)C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009379765	527630360	/nfs/dbraw/zinc/63/03/60/527630360.db2.gz	HYIGONJPEUWYJR-PZVJUEDKSA-N	-1	3	494.425	5.796	50	30		JKEAHM
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1=C([O-])C=Cc1ccccc1	ZINC000009379765	527630368	/nfs/dbraw/zinc/63/03/68/527630368.db2.gz	HYIGONJPEUWYJR-PZVJUEDKSA-N	-1	3	494.425	5.796	50	30		JKEAHM
O=C(C=Cc1ccccc1)C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1F	ZINC000009357924	527630412	/nfs/dbraw/zinc/63/04/12/527630412.db2.gz	XTRWDAGZJMWUSW-ZVQQDINOSA-N	-1	3	467.418	6.027	50	30		JKEAHM
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2F)C1=C([O-])C=Cc1ccccc1	ZINC000009357924	527630418	/nfs/dbraw/zinc/63/04/18/527630418.db2.gz	XTRWDAGZJMWUSW-ZVQQDINOSA-N	-1	3	467.418	6.027	50	30		JKEAHM
O=C(C=Cc1ccccc1)C1=C([O-])C(=O)N(c2nc3ccc(Cl)cc3s2)[C@H]1c1cccnc1	ZINC000009969631	527631077	/nfs/dbraw/zinc/63/10/77/527631077.db2.gz	DGPAJDRNUGBVKK-NJTIBFSMSA-N	-1	3	473.941	5.527	50	30		JKEAHM
O=C1C(=O)N(c2nc3ccc(Cl)cc3s2)[C@@H](c2cccnc2)C1=C([O-])C=Cc1ccccc1	ZINC000009969631	527631081	/nfs/dbraw/zinc/63/10/81/527631081.db2.gz	DGPAJDRNUGBVKK-NJTIBFSMSA-N	-1	3	473.941	5.527	50	30		JKEAHM
CCCOc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102498755	535284940	/nfs/dbraw/zinc/28/49/40/535284940.db2.gz	UUYOIECOKLLEID-QKJBWNOYSA-N	-1	3	498.604	6.328	50	30		JKEAHM
CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102498755	535284945	/nfs/dbraw/zinc/28/49/45/535284945.db2.gz	UUYOIECOKLLEID-QKJBWNOYSA-N	-1	3	498.604	6.328	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(C)cc3)sc2c1	ZINC000102528517	535442621	/nfs/dbraw/zinc/44/26/21/535442621.db2.gz	SKZSJRNPKMUXQU-MRJHHRETSA-N	-1	3	476.579	5.691	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccccc3OC)sc2c1	ZINC000102882731	535442794	/nfs/dbraw/zinc/44/27/94/535442794.db2.gz	GTVWVEHALWCIHG-ZHHPLPSFSA-N	-1	3	486.549	5.330	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccc(C)cc3)sc2c1	ZINC000102728944	535827819	/nfs/dbraw/zinc/82/78/19/535827819.db2.gz	CBDCJVVXSAZZKH-SBXHHDGASA-N	-1	3	468.578	6.102	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(C)cc3)sc2c1	ZINC000102728944	535827821	/nfs/dbraw/zinc/82/78/21/535827821.db2.gz	CBDCJVVXSAZZKH-SBXHHDGASA-N	-1	3	468.578	6.102	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000102717014	535827912	/nfs/dbraw/zinc/82/79/12/535827912.db2.gz	UUGPWMBIDLCMEJ-ZHHPLPSFSA-N	-1	3	499.548	5.702	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102709452	535828496	/nfs/dbraw/zinc/82/84/96/535828496.db2.gz	BGUUMKPXOOWAPM-CZNAVJSXSA-N	-1	3	496.632	6.917	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102709452	535828503	/nfs/dbraw/zinc/82/85/03/535828503.db2.gz	BGUUMKPXOOWAPM-CZNAVJSXSA-N	-1	3	496.632	6.917	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3cccc(OC)c3)sc2c1	ZINC000102726799	535829745	/nfs/dbraw/zinc/82/97/45/535829745.db2.gz	ITRCLWAUMNRYQU-ZHHPLPSFSA-N	-1	3	470.550	5.494	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(OC)cc3)sc2c1	ZINC000102695034	535829854	/nfs/dbraw/zinc/82/98/54/535829854.db2.gz	BQEMCPDHAPKXAT-AYWGPLOBSA-N	-1	3	470.550	5.494	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3ccc(C)cc3)sc2c1	ZINC000102733318	535830416	/nfs/dbraw/zinc/83/04/16/535830416.db2.gz	RFMDYXGOMOTFDO-NXLSWJSLSA-N	-1	3	484.577	5.802	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@@H]3c3ccc(C)cc3)sc2c1	ZINC000102733318	535830422	/nfs/dbraw/zinc/83/04/22/535830422.db2.gz	RFMDYXGOMOTFDO-NXLSWJSLSA-N	-1	3	484.577	5.802	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3cccs3)sc2c1	ZINC000102714653	535830499	/nfs/dbraw/zinc/83/04/99/535830499.db2.gz	BHQRIFQUIKTHRC-JBCNATCCSA-N	-1	3	476.579	5.555	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cccc(OC)c3)sc2c1	ZINC000102709030	535831863	/nfs/dbraw/zinc/83/18/63/535831863.db2.gz	LYSODZVVWYZSGY-JBCNATCCSA-N	-1	3	476.579	5.555	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cccs3)sc2c1	ZINC000102718933	535832052	/nfs/dbraw/zinc/83/20/52/535832052.db2.gz	DJBFPXXVDIFVMF-SELCWUDQSA-N	-1	3	452.582	5.608	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(Cl)c2)cc1	ZINC000102536281	536569282	/nfs/dbraw/zinc/56/92/82/536569282.db2.gz	GMUNYXICXOQZEJ-MOBKVPTQSA-N	-1	3	490.968	5.893	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccco2)cc1C	ZINC000102715096	536569362	/nfs/dbraw/zinc/56/93/62/536569362.db2.gz	SILPAHLUXKERKV-HFEWCJDKSA-N	-1	3	474.538	5.449	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2)cc1	ZINC000102489172	536569647	/nfs/dbraw/zinc/56/96/47/536569647.db2.gz	FKVXDJBKHOGNSU-HOGKFDNTSA-N	-1	3	456.523	5.240	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2)cc1	ZINC000102489172	536569649	/nfs/dbraw/zinc/56/96/49/536569649.db2.gz	FKVXDJBKHOGNSU-HOGKFDNTSA-N	-1	3	456.523	5.240	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(F)cc2)cc1C	ZINC000102709284	536569748	/nfs/dbraw/zinc/56/97/48/536569748.db2.gz	IUJRLLOCMTVYEI-AYWGPLOBSA-N	-1	3	488.540	5.687	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C)o2)cc1C	ZINC000102708394	536569768	/nfs/dbraw/zinc/56/97/68/536569768.db2.gz	JFEPAEMFIVCECP-BUANBSPESA-N	-1	3	488.565	5.758	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2)cc1C	ZINC000102715144	536569830	/nfs/dbraw/zinc/56/98/30/536569830.db2.gz	BFIQYOSGVUWKNN-UVDRRRQGSA-N	-1	3	484.577	5.856	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2)cc1C	ZINC000102715144	536569836	/nfs/dbraw/zinc/56/98/36/536569836.db2.gz	BFIQYOSGVUWKNN-UVDRRRQGSA-N	-1	3	484.577	5.856	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000102517547	536569934	/nfs/dbraw/zinc/56/99/34/536569934.db2.gz	LKZCMPHPEFJPIF-ZHHPLPSFSA-N	-1	3	486.549	5.248	50	30		JKEAHM
COc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000102798319	536658779	/nfs/dbraw/zinc/65/87/79/536658779.db2.gz	ACAZOGYMOUXNLH-MRJHHRETSA-N	-1	3	464.315	5.084	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(F)cc2)c1	ZINC000102730797	537073619	/nfs/dbraw/zinc/07/36/19/537073619.db2.gz	CZWHFAMIQGRDNY-COUQNMRISA-N	-1	3	488.540	5.687	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C)cc2)c1	ZINC000102725618	537073692	/nfs/dbraw/zinc/07/36/92/537073692.db2.gz	GEZVQAUBYYYLCQ-UVDRRRQGSA-N	-1	3	484.577	5.856	50	30		JKEAHM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C)cc2)c1	ZINC000102725618	537073697	/nfs/dbraw/zinc/07/36/97/537073697.db2.gz	GEZVQAUBYYYLCQ-UVDRRRQGSA-N	-1	3	484.577	5.856	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2)c1	ZINC000102710096	537073904	/nfs/dbraw/zinc/07/39/04/537073904.db2.gz	YBTBZMJEPQOCMD-MOBKVPTQSA-N	-1	3	456.523	5.240	50	30		JKEAHM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2)c1	ZINC000102710096	537073908	/nfs/dbraw/zinc/07/39/08/537073908.db2.gz	YBTBZMJEPQOCMD-MOBKVPTQSA-N	-1	3	456.523	5.240	50	30		JKEAHM
CCc1c(C)sc([N-]C(=O)c2cc3nc(-c4ccc(Cl)s4)cc(C(F)(F)F)n3n2)c1C#N	ZINC000000655415	553735868	/nfs/dbraw/zinc/73/58/68/553735868.db2.gz	UQVUEFLHIBWLTD-UHFFFAOYSA-N	-1	3	495.939	6.186	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@H]3c3ccccc3)sc2c1	ZINC000000703111	553761991	/nfs/dbraw/zinc/76/19/91/553761991.db2.gz	JYAZQRDXLPHCFK-HSZRJFAPSA-N	-1	3	466.518	6.134	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@H]3c3cccs3)sc2c1	ZINC000000703113	553762040	/nfs/dbraw/zinc/76/20/40/553762040.db2.gz	ARJORWNVUAKPRL-OAQYLSRUSA-N	-1	3	472.547	6.195	50	30	aggregator	JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@@H]3c3cccs3)sc2c1	ZINC000000703112	553762047	/nfs/dbraw/zinc/76/20/47/553762047.db2.gz	ARJORWNVUAKPRL-NRFANRHFSA-N	-1	3	472.547	6.195	50	30	aggregator	JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@H]3c3ccc(O)cc3)nc2c(C)c1	ZINC000000703129	553762482	/nfs/dbraw/zinc/76/24/82/553762482.db2.gz	OHVMOUIZIBFASN-XMMPIXPASA-N	-1	3	496.544	6.148	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(C)c(Br)c3)[C@H]2c2ccc(O)cc2)cc1	ZINC000000719966	553771497	/nfs/dbraw/zinc/77/14/97/553771497.db2.gz	OFUZVVHKKCAHNV-QFIPXVFZSA-N	-1	3	494.341	5.255	50	30		JKEAHM
COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc(Cl)c1[O-]	ZINC000000720489	553772013	/nfs/dbraw/zinc/77/20/13/553772013.db2.gz	ZPTAUJDATJAHKY-HWRSSNJWSA-N	-1	3	481.379	6.687	50	30		JKEAHM
COc1cc(Br)c(Br)c(/C=N/c2c([O-])ccc3ccccc32)c1O	ZINC000000723763	553773268	/nfs/dbraw/zinc/77/32/68/553773268.db2.gz	CZSUZFRGXHMLER-ZVBGSRNCSA-N	-1	3	451.114	5.535	50	30		JKEAHM
CCOc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1[O-]	ZINC000000844165	553794839	/nfs/dbraw/zinc/79/48/39/553794839.db2.gz	OXHMRPPZHMBOFF-HXUWFJFHSA-N	-1	3	492.410	5.109	50	30		JKEAHM
CCOc1cc(-c2nc3ccccn3c2N=Cc2cc([N+](=O)[O-])c(Cl)cc2Cl)ccc1[O-]	ZINC000001058953	553902475	/nfs/dbraw/zinc/90/24/75/553902475.db2.gz	AGTWUJPYYSKHQU-UHFFFAOYSA-N	-1	3	471.300	6.071	50	30		JKEAHM
COc1cccc([C@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2ccccc2)c1	ZINC000001208937	553932982	/nfs/dbraw/zinc/93/29/82/553932982.db2.gz	KRVFJFOKMRYXDO-NRFANRHFSA-N	-1	3	464.315	5.241	50	30		JKEAHM
CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1[O-]	ZINC000001438889	553972340	/nfs/dbraw/zinc/97/23/40/553972340.db2.gz	ZHWGMJDUQZGFAC-OAQYLSRUSA-N	-1	3	457.368	5.775	50	30		JKEAHM
CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1[O-]	ZINC000001438888	553972443	/nfs/dbraw/zinc/97/24/43/553972443.db2.gz	ZHWGMJDUQZGFAC-NRFANRHFSA-N	-1	3	457.368	5.775	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3cccc(OC)c3)sc2c1	ZINC000001450620	553973686	/nfs/dbraw/zinc/97/36/86/553973686.db2.gz	YGDFLKVWEZJSJD-QHCPKHFHSA-N	-1	3	470.550	5.650	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(O)c2)c1	ZINC000001451487	553974138	/nfs/dbraw/zinc/97/41/38/553974138.db2.gz	RHIRYAHYPODFQI-JOCHJYFZSA-N	-1	3	472.522	5.102	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccn2)cc1	ZINC000001451927	553974166	/nfs/dbraw/zinc/97/41/66/553974166.db2.gz	NOCVSCKGJPSFDS-HSZRJFAPSA-N	-1	3	485.565	5.490	50	30		JKEAHM
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(Cl)c([O-])c(OC)c2)cc1	ZINC000001467875	553976476	/nfs/dbraw/zinc/97/64/76/553976476.db2.gz	TYVWSHUAUOYNKL-QMTYFTJSSA-N	-1	3	476.960	6.042	50	30		JKEAHM
COc1ccc(-c2nc3cc(C)ccc3o2)cc1/N=C/c1cc(Br)cc(OC)c1[O-]	ZINC000001500383	553977344	/nfs/dbraw/zinc/97/73/44/553977344.db2.gz	AWQPVTOHRDMLGZ-BRJLIKDPSA-N	-1	3	467.319	6.039	50	30		JKEAHM
CCOC(=O)c1c(C)c(C)sc1/N=C/c1c2c(cc(C(C)(C)C)c1[O-])oc1c2CCCC1	ZINC000001819528	553992953	/nfs/dbraw/zinc/99/29/53/553992953.db2.gz	YWBTUCOTPKPXIQ-UVHMKAGCSA-N	-1	3	453.604	6.920	50	30		JKEAHM
CCOc1cc(Br)c(Br)c(/C=N/c2ccc(Cl)c(Cl)c2)c1[O-]	ZINC000001882883	554000369	/nfs/dbraw/zinc/00/03/69/554000369.db2.gz	VYHAIRZEYCQSET-IFRROFPPSA-N	-1	3	467.972	6.373	50	30		JKEAHM
CCOc1cc(Br)c(Br)c(/C=N/c2cc([C@H](C)CC)ccc2O)c1[O-]	ZINC000001885648	554000686	/nfs/dbraw/zinc/00/06/86/554000686.db2.gz	VJBXHEYTYAONGP-WMJRALALSA-N	-1	3	471.189	6.286	50	30		JKEAHM
[O-]c1ccc(Br)cc1/C=N/c1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1	ZINC000001922789	554004897	/nfs/dbraw/zinc/00/48/97/554004897.db2.gz	RHODNCSFDHJUNA-YSURURNPSA-N	-1	3	462.130	7.020	50	30		JKEAHM
COc1cc(Br)cc(/C=N/c2ccc3oc(Cc4ccc(Cl)cc4)nc3c2)c1[O-]	ZINC000001946568	554006098	/nfs/dbraw/zinc/00/60/98/554006098.db2.gz	OUZHKTZQPILRGG-BRJLIKDPSA-N	-1	3	471.738	6.299	50	30		JKEAHM
CCOc1cc(Br)cc(/C=N/c2ccc(-c3nc4c(cccc4C)o3)cc2)c1[O-]	ZINC000002067344	554020729	/nfs/dbraw/zinc/02/07/29/554020729.db2.gz	HQGUVQYQWXPJFF-DHRITJCHSA-N	-1	3	451.320	6.421	50	30		JKEAHM
Cc1cccc(C)c1NC(=O)CSc1nc2ccc(/N=C/c3c([O-])ccc4ccccc43)cc2s1	ZINC000002181408	554080340	/nfs/dbraw/zinc/08/03/40/554080340.db2.gz	BVWLTVARCIFZDA-WKULSOCRSA-N	-1	3	497.645	7.253	50	30		JKEAHM
COc1ccc(NC(=Nc2nc(C)cc(C)n2)[N-]C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	ZINC000002266553	554125200	/nfs/dbraw/zinc/12/52/00/554125200.db2.gz	GIAXXILWARHYKY-UHFFFAOYSA-N	-1	3	459.337	5.330	50	30		JKEAHM
Cc1cc(C)nc(N=C([N-]C(=O)Nc2ccc(Cl)c(Cl)c2)Nc2ccc(Cl)cc2)n1	ZINC000002266642	554125271	/nfs/dbraw/zinc/12/52/71/554125271.db2.gz	GQVBZIHZPRTLFU-UHFFFAOYSA-N	-1	3	463.756	5.975	50	30		JKEAHM
CCOc1ccc(N=C([N-]C(=O)Nc2ccc(Cl)c(Cl)c2)Nc2nc(C)cc(C)n2)cc1	ZINC000002267395	554125591	/nfs/dbraw/zinc/12/55/91/554125591.db2.gz	VDTOPIWSEXONBB-UHFFFAOYSA-N	-1	3	473.364	5.720	50	30		JKEAHM
COc1ccc(-c2oc(/N=C/c3cc(OC)ccc3[O-])c(C#N)c2-c2ccc(OC)cc2)cc1	ZINC000002289312	554134404	/nfs/dbraw/zinc/13/44/04/554134404.db2.gz	UTOAGIBYBJWQCM-MUFRIFMGSA-N	-1	3	454.482	5.967	50	30		JKEAHM
Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NC(=S)[N-]c3sc4c(c3C#N)CCCC4)cc12	ZINC000002727080	554312971	/nfs/dbraw/zinc/31/29/71/554312971.db2.gz	SJQCVTXAAGLJIV-UHFFFAOYSA-N	-1	3	498.677	6.245	50	30		JKEAHM
COC(=O)c1c(/N=C/c2cc(I)cc(C)c2[O-])sc2c1CC[C@@H](C)C2	ZINC000002744283	554323008	/nfs/dbraw/zinc/32/30/08/554323008.db2.gz	KWXCAVGUOFWIRR-PRMNVEQPSA-N	-1	3	469.344	5.029	50	30		JKEAHM
C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cnn4c3nc(-c3ccccc3)cc4C(F)F)sc2C1	ZINC000002769846	554335725	/nfs/dbraw/zinc/33/57/25/554335725.db2.gz	MVMKGKGUUCYXDN-CYBMUJFWSA-N	-1	3	463.513	5.644	50	30		JKEAHM
CCc1c(C)sc([N-]C(=O)c2cc(S(=O)(=O)N(CC)CC)c(Cl)cc2Cl)c1C#N	ZINC000002798336	554351580	/nfs/dbraw/zinc/35/15/80/554351580.db2.gz	RIWJYHFZDFQZIP-UHFFFAOYSA-N	-1	3	474.435	5.080	50	30		JKEAHM
N#Cc1c([N-]C(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)sc2c1CCCC2	ZINC000002877758	554399694	/nfs/dbraw/zinc/39/96/94/554399694.db2.gz	CGSJGCQPCPWOEI-UHFFFAOYSA-N	-1	3	450.869	6.683	50	30		JKEAHM
CN1c2cc(Cl)ccc2S/C1=C1\S/C(=N\c2ccccc2[O-])N(CCc2ccccc2)C1=O	ZINC000004091135	554473120	/nfs/dbraw/zinc/47/31/20/554473120.db2.gz	WIOBZAZDYAGTAZ-SMTACHQSSA-N	-1	3	494.041	6.262	50	30		JKEAHM
CN1c2cc(Cl)ccc2S/C1=C1\S/C(=N\c2cccc([O-])c2)N(CCc2ccccc2)C1=O	ZINC000004091137	554473264	/nfs/dbraw/zinc/47/32/64/554473264.db2.gz	YEDNRHMRCQJKKN-SMTACHQSSA-N	-1	3	494.041	6.262	50	30		JKEAHM
CCOc1ccc(/C=N/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(OC)cc3)cc2)c([O-])c1	ZINC000008399585	554574744	/nfs/dbraw/zinc/57/47/44/554574744.db2.gz	DSWGDKOWXNTTIL-GQCRFCPSSA-N	-1	3	491.591	6.906	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccccc3OC)sc2c1	ZINC000008738657	554640252	/nfs/dbraw/zinc/64/02/52/554640252.db2.gz	SOPAJFCEGPUXHE-NRFANRHFSA-N	-1	3	476.579	5.712	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3ccco3)sc2c1	ZINC000008738707	554640353	/nfs/dbraw/zinc/64/03/53/554640353.db2.gz	UOMSWLZAIKYYLV-OAQYLSRUSA-N	-1	3	460.511	5.243	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(OC)cc3)sc2c1	ZINC000008744151	554647103	/nfs/dbraw/zinc/64/71/03/554647103.db2.gz	POIKRWZSGFGAGL-QHCPKHFHSA-N	-1	3	470.550	5.650	50	30		JKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)sc1C	ZINC000008816978	554699294	/nfs/dbraw/zinc/69/92/94/554699294.db2.gz	BCAMHFMAOLQKDP-NRFANRHFSA-N	-1	3	481.017	6.494	50	30		JKEAHM
COc1cccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1	ZINC000008817077	554699561	/nfs/dbraw/zinc/69/95/61/554699561.db2.gz	IIKHXSNVVTYXTO-HSZRJFAPSA-N	-1	3	488.540	5.844	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2F)cc1	ZINC000008818014	554701453	/nfs/dbraw/zinc/70/14/53/554701453.db2.gz	LLPYKLYDGLONRV-QFIPXVFZSA-N	-1	3	474.513	5.535	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3cccc(OC)c3)sc2c1	ZINC000008836686	554736783	/nfs/dbraw/zinc/73/67/83/554736783.db2.gz	RWJOXEIBHHVSBE-HSZRJFAPSA-N	-1	3	486.549	5.487	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000008836966	554737333	/nfs/dbraw/zinc/73/73/33/554737333.db2.gz	BSGWCFOABWIIMP-HSZRJFAPSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000008836966	554737335	/nfs/dbraw/zinc/73/73/35/554737335.db2.gz	BSGWCFOABWIIMP-HSZRJFAPSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccccc3)sc2c1	ZINC000008837008	554737413	/nfs/dbraw/zinc/73/74/13/554737413.db2.gz	HNJYOQBVIHECQM-QFIPXVFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
CCOc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1	ZINC000008837150	554737904	/nfs/dbraw/zinc/73/79/04/554737904.db2.gz	JNSPBYUXOALHNZ-HSZRJFAPSA-N	-1	3	486.549	5.487	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccccc3)nc2c(C)c1	ZINC000008837700	554738839	/nfs/dbraw/zinc/73/88/39/554738839.db2.gz	SDSHIHUIWLWRAT-JOCHJYFZSA-N	-1	3	458.514	5.835	50	30		JKEAHM
COc1cccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1	ZINC000008838187	554739535	/nfs/dbraw/zinc/73/95/35/554739535.db2.gz	GADIZTJFGZBYSJ-QHCPKHFHSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1cccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1	ZINC000008838187	554739538	/nfs/dbraw/zinc/73/95/38/554739538.db2.gz	GADIZTJFGZBYSJ-QHCPKHFHSA-N	-1	3	470.550	5.705	50	30		JKEAHM
Cc1ccc(Nc2nc(N=NCc3ccc(N(C)C)cc3)nc([N-]c3ccc([N+](=O)[O-])cc3)n2)cc1C	ZINC000008872837	554769585	/nfs/dbraw/zinc/76/95/85/554769585.db2.gz	QXRDAKXPDULQST-JVWAILMASA-N	-1	3	497.563	5.396	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccccc3)sc2c1	ZINC000008894094	554783228	/nfs/dbraw/zinc/78/32/28/554783228.db2.gz	JBFNYFGDQAHRSX-JOCHJYFZSA-N	-1	3	474.969	6.295	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccc(C)cc3)sc2c1	ZINC000008894461	554783663	/nfs/dbraw/zinc/78/36/63/554783663.db2.gz	UXGDOXGKQWVVPC-DEOSSOPVSA-N	-1	3	468.578	6.258	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3ccc(C)cc3)sc2c1	ZINC000008894461	554783667	/nfs/dbraw/zinc/78/36/67/554783667.db2.gz	UXGDOXGKQWVVPC-DEOSSOPVSA-N	-1	3	468.578	6.258	50	30		JKEAHM
CCOc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1	ZINC000008894555	554783946	/nfs/dbraw/zinc/78/39/46/554783946.db2.gz	ZMPUXGJNAQIQOZ-XMMPIXPASA-N	-1	3	484.577	6.040	50	30		JKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000008894807	554784308	/nfs/dbraw/zinc/78/43/08/554784308.db2.gz	UOOMBKPAKJZOIS-DEOSSOPVSA-N	-1	3	474.557	5.851	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2F)cc1	ZINC000008896352	554785864	/nfs/dbraw/zinc/78/58/64/554785864.db2.gz	MWMXXCHTVPBKQG-QHCPKHFHSA-N	-1	3	488.540	5.844	50	30		JKEAHM
C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000008896625	554786538	/nfs/dbraw/zinc/78/65/38/554786538.db2.gz	BXNNUZMQMLPEKF-DEOSSOPVSA-N	-1	3	458.514	5.454	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000008896729	554786884	/nfs/dbraw/zinc/78/68/84/554786884.db2.gz	ZQNTWPQWTOURHN-HSZRJFAPSA-N	-1	3	460.530	5.462	50	30		JKEAHM
CCOc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000008899920	554791493	/nfs/dbraw/zinc/79/14/93/554791493.db2.gz	JQZXCEAZVGFHDF-NRFANRHFSA-N	-1	3	476.579	5.848	50	30		JKEAHM
COc1cccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000008901691	554795249	/nfs/dbraw/zinc/79/52/49/554795249.db2.gz	SYDUDMIEQYMTOP-QFIPXVFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
COc1cccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000008901691	554795253	/nfs/dbraw/zinc/79/52/53/554795253.db2.gz	SYDUDMIEQYMTOP-QFIPXVFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3cccc(OC)c3)sc2c1	ZINC000008914196	554807318	/nfs/dbraw/zinc/80/73/18/554807318.db2.gz	DJRUDUVECOTCGT-DEOSSOPVSA-N	-1	3	484.577	5.959	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@@H]3c3cccc(OC)c3)sc2c1	ZINC000008914196	554807320	/nfs/dbraw/zinc/80/73/20/554807320.db2.gz	DJRUDUVECOTCGT-DEOSSOPVSA-N	-1	3	484.577	5.959	50	30		JKEAHM
C=CCOC(=O)c1sc([N-]C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)nc1C	ZINC000008914679	554807957	/nfs/dbraw/zinc/80/79/57/554807957.db2.gz	MQRFWAHNIAGKJW-UHFFFAOYSA-N	-1	3	461.779	6.222	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000008915023	554808221	/nfs/dbraw/zinc/80/82/21/554808221.db2.gz	VTJBZPNUHNWOON-VWLOTQADSA-N	-1	3	482.605	6.765	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000008915023	554808225	/nfs/dbraw/zinc/80/82/25/554808225.db2.gz	VTJBZPNUHNWOON-VWLOTQADSA-N	-1	3	482.605	6.765	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2)cc1C	ZINC000008915085	554808429	/nfs/dbraw/zinc/80/84/29/554808429.db2.gz	AXNDEGQNWJVXIV-QHCPKHFHSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2)cc1C	ZINC000008915085	554808430	/nfs/dbraw/zinc/80/84/30/554808430.db2.gz	AXNDEGQNWJVXIV-QHCPKHFHSA-N	-1	3	470.550	5.705	50	30		JKEAHM
CCCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)[N-]/C(=N\N=C(/C)c3ccc(F)cc3)S2)cc1	ZINC000008916083	554810280	/nfs/dbraw/zinc/81/02/80/554810280.db2.gz	QAZMAJFAPFCGGN-QHFGQAMDSA-N	-1	3	484.597	5.125	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(Cl)cc3)sc2c1	ZINC000008934739	554829315	/nfs/dbraw/zinc/82/93/15/554829315.db2.gz	BFQBZFGCDUZVPN-QFIPXVFZSA-N	-1	3	474.969	6.295	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000008973535	554844454	/nfs/dbraw/zinc/84/44/54/554844454.db2.gz	OVGWBFWMGANURK-JOCHJYFZSA-N	-1	3	474.607	6.573	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000008973535	554844455	/nfs/dbraw/zinc/84/44/55/554844455.db2.gz	OVGWBFWMGANURK-JOCHJYFZSA-N	-1	3	474.607	6.573	50	30		JKEAHM
C=CCOc1cccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000008973577	554844512	/nfs/dbraw/zinc/84/45/12/554844512.db2.gz	UVGFVORYEKRPEI-JOCHJYFZSA-N	-1	3	488.590	6.014	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000008973625	554844970	/nfs/dbraw/zinc/84/49/70/554844970.db2.gz	FJOPRNYDCKBXMJ-JOCHJYFZSA-N	-1	3	458.514	5.835	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000008985384	554848760	/nfs/dbraw/zinc/84/87/60/554848760.db2.gz	IREHZMYVYVXWHU-HSZRJFAPSA-N	-1	3	486.549	5.405	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc(C)cc2)cc1	ZINC000008990034	554851798	/nfs/dbraw/zinc/85/17/98/554851798.db2.gz	PIZDZTMZHQOZFM-QFIPXVFZSA-N	-1	3	451.444	6.105	50	30		JKEAHM
COc1ccc(Br)cc1/C=C1\Oc2c(ccc([O-])c2CN2CCCCCC2)C1=O	ZINC000008992311	554853023	/nfs/dbraw/zinc/85/30/23/554853023.db2.gz	ILMMQLWFCMZMAD-BKUYFWCQSA-N	-1	3	458.352	5.156	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1	ZINC000008996304	554857031	/nfs/dbraw/zinc/85/70/31/554857031.db2.gz	CFABRAFHUPZURQ-QHCPKHFHSA-N	-1	3	498.560	5.428	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000008996535	554857203	/nfs/dbraw/zinc/85/72/03/554857203.db2.gz	JOLBAXNIKYRLCX-XMMPIXPASA-N	-1	3	486.593	6.666	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000008996480	554857213	/nfs/dbraw/zinc/85/72/13/554857213.db2.gz	AWPJJKUOQWZVJV-QHCPKHFHSA-N	-1	3	472.566	6.358	50	30		JKEAHM
COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)nc1C	ZINC000008996472	554857285	/nfs/dbraw/zinc/85/72/85/554857285.db2.gz	GIJSSNUGCGPVSJ-HXUWFJFHSA-N	-1	3	476.554	5.144	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C	ZINC000008996533	554857386	/nfs/dbraw/zinc/85/73/86/554857386.db2.gz	NQMFXQMGHSLKNE-QHCPKHFHSA-N	-1	3	460.530	5.380	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C	ZINC000008996533	554857389	/nfs/dbraw/zinc/85/73/89/554857389.db2.gz	NQMFXQMGHSLKNE-QHCPKHFHSA-N	-1	3	460.530	5.380	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3ccccc3)sc2c1	ZINC000008996626	554857645	/nfs/dbraw/zinc/85/76/45/554857645.db2.gz	DRUFIBHZBCFXSY-QHCPKHFHSA-N	-1	3	470.550	5.650	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)c1	ZINC000008996890	554858335	/nfs/dbraw/zinc/85/83/35/554858335.db2.gz	ADKMZCADRYJAQF-RUZDIDTESA-N	-1	3	498.604	6.520	50	30		JKEAHM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)c1	ZINC000008996890	554858337	/nfs/dbraw/zinc/85/83/37/554858337.db2.gz	ADKMZCADRYJAQF-RUZDIDTESA-N	-1	3	498.604	6.520	50	30		JKEAHM
CCCOc1cccc([C@H]2C(=C([O-])c3ccc4ccccc4c3)C(=O)C(=O)N2c2cc(C)on2)c1	ZINC000008996956	554858379	/nfs/dbraw/zinc/85/83/79/554858379.db2.gz	ZVPBGEUJXYYMCB-VWLOTQADSA-N	-1	3	468.509	5.708	50	30		JKEAHM
C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1	ZINC000009007591	554860584	/nfs/dbraw/zinc/86/05/84/554860584.db2.gz	RCQYHROAIBVGFW-QFIPXVFZSA-N	-1	3	476.554	5.116	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1	ZINC000009270353	555044522	/nfs/dbraw/zinc/04/45/22/555044522.db2.gz	WIJOCPXKDWHQKL-QHCPKHFHSA-N	-1	3	486.593	6.587	50	30		JKEAHM
Cc1ccc([C@H]2C(=C([O-])c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2c2nccs2)cc1	ZINC000009464118	555235361	/nfs/dbraw/zinc/23/53/61/555235361.db2.gz	DBNJIRNULPOACU-VWLOTQADSA-N	-1	3	496.588	6.122	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C)cc2)c1	ZINC000013550607	555491639	/nfs/dbraw/zinc/49/16/39/555491639.db2.gz	XJOHWVNMNAKERZ-DEOSSOPVSA-N	-1	3	484.577	6.013	50	30		JKEAHM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C)cc2)c1	ZINC000013550607	555491641	/nfs/dbraw/zinc/49/16/41/555491641.db2.gz	XJOHWVNMNAKERZ-DEOSSOPVSA-N	-1	3	484.577	6.013	50	30		JKEAHM
CC(=O)c1ccc(N=Cc2cc(Cc3ccc(O)c(C=Nc4ccc(C(C)=O)cc4)c3)ccc2[O-])cc1	ZINC000013562411	555496777	/nfs/dbraw/zinc/49/67/77/555496777.db2.gz	ZFGHUIQLYXPXDC-XYHIKERESA-N	-1	3	490.559	6.595	50	30		JKEAHM
COc1ccc([C@@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1	ZINC000013592241	555526796	/nfs/dbraw/zinc/52/67/96/555526796.db2.gz	GCPXTLBSNXVMGC-NLFFAJNJSA-N	-1	3	463.537	5.545	50	30		JKEAHM
Cc1nn(C)c(C)c1-c1ccnc2cc(C(=O)[N-]c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)nn21	ZINC000013644497	555549665	/nfs/dbraw/zinc/54/96/65/555549665.db2.gz	IYWWEURHYWQJNB-INIZCTEOSA-N	-1	3	487.633	5.083	50	30		JKEAHM
Cc1cc([O-])c(CN2CCC(C)CC2)c2c1C(=O)/C(=C/c1cc3cc(Br)ccc3o1)O2	ZINC000013690562	555584403	/nfs/dbraw/zinc/58/44/03/555584403.db2.gz	KFKMTCIXZQJSTK-UUYOSTAYSA-N	-1	3	482.374	6.057	50	30		JKEAHM
CCCc1ccc(O)c(/N=C/c2c([O-])c(OCC)cc(Br)c2Br)c1	ZINC000013940849	555652072	/nfs/dbraw/zinc/65/20/72/555652072.db2.gz	OTXCZNBCRGFFFA-UFFVCSGVSA-N	-1	3	457.162	5.725	50	30		JKEAHM
CCC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3cccc4ccccc43)sc2C1	ZINC000013943831	555655052	/nfs/dbraw/zinc/65/50/52/555655052.db2.gz	UCDWLEKSBZCMIH-KRWDZBQOSA-N	-1	3	461.656	6.441	50	30		JKEAHM
CN(/N=C\c1ccccc1[O-])c1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1	ZINC000023115340	556011920	/nfs/dbraw/zinc/01/19/20/556011920.db2.gz	LNYOYICTALGMOL-QQXSKIMKSA-N	-1	3	459.347	5.749	50	30		JKEAHM
Cc1cc(C)c2ccc(=NN=C3C=C(c4c([O-])ccc5ccccc54)c4ccccc4C3=O)[nH]c2c1O	ZINC000023549851	556077892	/nfs/dbraw/zinc/07/78/92/556077892.db2.gz	UGEOFKZTOCTDRS-INKHBPHZSA-N	-1	3	485.543	6.512	50	30		JKEAHM
COc1ccccc1[C@H]1C(=C([O-])c2ccc(C)o2)C(=O)C(=O)N1c1nc2c(cc(C)cc2C)s1	ZINC000016944327	556182363	/nfs/dbraw/zinc/18/23/63/556182363.db2.gz	IRENLNCWNBVNGB-QFIPXVFZSA-N	-1	3	474.538	5.606	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000017145559	556225748	/nfs/dbraw/zinc/22/57/48/556225748.db2.gz	BKONXUNWTSKLOX-JOCHJYFZSA-N	-1	3	494.341	5.249	50	30		JKEAHM
CCCSc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2ccc(CC)cc2)s1	ZINC000027022144	556271388	/nfs/dbraw/zinc/27/13/88/556271388.db2.gz	URFFAONQQJLCFI-FQEVSTJZSA-N	-1	3	479.627	5.694	50	30		JKEAHM
Cc1cc(I)cc(/C=N/c2cccc(NC(=O)c3ccccc3Cl)c2)c1[O-]	ZINC000027501163	556282121	/nfs/dbraw/zinc/28/21/21/556282121.db2.gz	MPVGQGYGQLWDJB-WYMPLXKRSA-N	-1	3	490.728	5.962	50	30		JKEAHM
COc1cc([C@@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1	ZINC000018195642	556302623	/nfs/dbraw/zinc/30/26/23/556302623.db2.gz	NMGSVGCNLKFKLG-SANMLTNESA-N	-1	3	493.563	5.318	50	30		JKEAHM
Cc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1cc(Br)ccc1[O-])C1=C(CCCC1=O)N2	ZINC000018195752	556302830	/nfs/dbraw/zinc/30/28/30/556302830.db2.gz	UPXLPNCNWBSZLS-JOCHJYFZSA-N	-1	3	464.363	5.522	50	30		JKEAHM
O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3cccs3)C1)[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000018196883	556303387	/nfs/dbraw/zinc/30/33/87/556303387.db2.gz	SJJCXBQIDKFTRN-AOMKIAJQSA-N	-1	3	484.537	5.094	50	30		JKEAHM
COc1ccc([C@@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c(OC)c1	ZINC000018197538	556304116	/nfs/dbraw/zinc/30/41/16/556304116.db2.gz	RBSKJBKQUUFINT-FYSMJZIKSA-N	-1	3	499.592	5.203	50	30		JKEAHM
Cc1nn(-c2ccccc2)c2c1[C@@H](c1cc(Cl)ccc1[O-])C1=C(C[C@H](c3cccs3)CC1=O)N2	ZINC000018197737	556304416	/nfs/dbraw/zinc/30/44/16/556304416.db2.gz	NLQRSUGGKOONTL-IVCQMTBJSA-N	-1	3	488.012	6.559	50	30		JKEAHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1	ZINC000013108090	556304890	/nfs/dbraw/zinc/30/48/90/556304890.db2.gz	GULONUGEMAMDFQ-UHFFFAOYSA-N	-1	3	460.603	5.606	50	30		JKEAHM
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[n-]n(-c4ccccc4)c(=O)c2[C@H]3c2ccccc2)cc1OC	ZINC000018198613	556306025	/nfs/dbraw/zinc/30/60/25/556306025.db2.gz	GNYZMRPPKNZOPJ-FNZWTVRRSA-N	-1	3	493.563	5.141	50	30		JKEAHM
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH][n-]c(=O)c2[C@H]3c2ccc(C(F)(F)F)cc2)cc1OC	ZINC000018200593	556308236	/nfs/dbraw/zinc/30/82/36/556308236.db2.gz	DVNWJSJAKRHOGN-XOBRGWDASA-N	-1	3	485.462	5.110	50	30		JKEAHM
COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc(Br)c1[O-]	ZINC000031854562	556409030	/nfs/dbraw/zinc/40/90/30/556409030.db2.gz	YLSQLXKLOAOCLC-YXSASFKJSA-N	-1	3	473.179	6.040	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1cc(Br)ccc1[O-]	ZINC000032511736	556443839	/nfs/dbraw/zinc/44/38/39/556443839.db2.gz	UDWJDMMLGXFQOR-FPOVZHCZSA-N	-1	3	450.332	5.197	50	30		JKEAHM
C=CCc1ccccc1OCCSc1nc(-c2ccc(C(C)(C)C)cc2)nc2cc(=O)[n-]n21	ZINC000008673341	562950143	/nfs/dbraw/zinc/95/01/43/562950143.db2.gz	YEVDJOXBCVSCRP-UHFFFAOYSA-N	-1	3	460.603	5.282	50	30		JKEAHM
O=C1c2ccccc2C([N-]S(=O)(=O)c2ccc(Cl)cc2)=CC1=Nc1ccc(Cl)c(Cl)c1	ZINC000062418215	569610935	/nfs/dbraw/zinc/61/09/35/569610935.db2.gz	UIUNNAJAPWAYGQ-NHFJDJAPSA-N	-1	3	491.783	6.017	50	30		JKEAHM
COc1cc(/C=C2/CN(CC3CC3)C/C(=C\c3cc(Cl)c(O)c(OC)c3)C2=O)cc(Cl)c1[O-]	ZINC000062602458	569612830	/nfs/dbraw/zinc/61/28/30/569612830.db2.gz	DIIGHKVINQRUDW-BBAUMNPJSA-N	-1	3	490.383	5.184	50	30		JKEAHM
COc1cc(/C=C2\CN(CC3CC3)C/C(=C/c3cc(Cl)c(O)c(OC)c3)C2=O)cc(Cl)c1[O-]	ZINC000062602458	569612831	/nfs/dbraw/zinc/61/28/31/569612831.db2.gz	DIIGHKVINQRUDW-BBAUMNPJSA-N	-1	3	490.383	5.184	50	30		JKEAHM
O=S(=O)([N-]c1cc(C(F)(F)F)ccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000095742535	569728682	/nfs/dbraw/zinc/72/86/82/569728682.db2.gz	CIXPTXDNMBYJED-UHFFFAOYSA-N	-1	3	455.273	5.683	50	30		JKEAHM
COc1cc(Br)cc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(OC)c2)c1[O-]	ZINC000098086862	569750455	/nfs/dbraw/zinc/75/04/55/569750455.db2.gz	ZBOKCDFVRIMLDL-LGJNPRDNSA-N	-1	3	495.329	5.921	50	30		JKEAHM
CCCN1C(=O)/C(=C/c2cc(Cl)c([O-])c(OCC)c2)S/C1=N/c1ccc(OCC)cc1	ZINC000100259679	569756444	/nfs/dbraw/zinc/75/64/44/569756444.db2.gz	DDOLZHUCQOUFHO-QJYUKRAPSA-N	-1	3	460.983	5.857	50	30		JKEAHM
COc1cc([C@@H]2C(C(=O)C=Cc3ccccc3)=C([O-])C(=O)N2c2cccc(C(F)(F)F)c2)ccc1O	ZINC000100297650	569756974	/nfs/dbraw/zinc/75/69/74/569756974.db2.gz	XQNSFIGBOGVVAO-IYNHSRRRSA-N	-1	3	495.453	5.602	50	30		JKEAHM
COc1cc([C@@H]2C(=C([O-])C=Cc3ccccc3)C(=O)C(=O)N2c2cccc(C(F)(F)F)c2)ccc1O	ZINC000100297650	569756976	/nfs/dbraw/zinc/75/69/76/569756976.db2.gz	XQNSFIGBOGVVAO-IYNHSRRRSA-N	-1	3	495.453	5.602	50	30		JKEAHM
O=C1/C(=C\c2c([O-])ccc3ccccc32)S/C(=N/Cc2ccccc2)N1Cc1ccccc1	ZINC000100455949	569761510	/nfs/dbraw/zinc/76/15/10/569761510.db2.gz	FNBGJMIISSYRNC-JEJOEQLISA-N	-1	3	450.563	6.218	50	30		JKEAHM
CCOc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccc(OC)cc4)nc3c2)c1[O-]	ZINC000100503100	569762915	/nfs/dbraw/zinc/76/29/15/569762915.db2.gz	VCWXHDMQUXBKSQ-DHRITJCHSA-N	-1	3	467.319	6.121	50	30		JKEAHM
CCCCCCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3[O-])C2=O)cc1	ZINC000100834458	569771925	/nfs/dbraw/zinc/77/19/25/569771925.db2.gz	LMGQCCOBAPZSKH-XLNRJJMWSA-N	-1	3	484.643	5.678	50	30		JKEAHM
CCCCCCCCOc1ccc(/C=C2\SC(=S)N([N-]C(=O)c3ccncc3)C2=O)cc1	ZINC000101016095	569779473	/nfs/dbraw/zinc/77/94/73/569779473.db2.gz	NOJDEBZNDMSVGA-FXBPSFAMSA-N	-1	3	469.632	5.367	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000101069791	569781100	/nfs/dbraw/zinc/78/11/00/569781100.db2.gz	ZKQKOQMEVGNRFD-AYWGPLOBSA-N	-1	3	491.385	5.450	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000101069791	569781101	/nfs/dbraw/zinc/78/11/01/569781101.db2.gz	ZKQKOQMEVGNRFD-AYWGPLOBSA-N	-1	3	491.385	5.450	50	30		JKEAHM
Cc1cccc(N=C2C=C([N-]S(=O)(=O)c3ccc(Br)cc3)c3ccccc3C2=O)c1	ZINC000101081070	569781792	/nfs/dbraw/zinc/78/17/92/569781792.db2.gz	RWIIYDYETHPRRY-QLYXXIJNSA-N	-1	3	481.371	5.128	50	30		JKEAHM
C=CCOc1cccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000101314076	569792536	/nfs/dbraw/zinc/79/25/36/569792536.db2.gz	GFVPDXRRTFQCOZ-HOGKFDNTSA-N	-1	3	488.590	5.857	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000102587842	569814437	/nfs/dbraw/zinc/81/44/37/569814437.db2.gz	DGASSVXFEIXGLT-ZHHPLPSFSA-N	-1	3	463.917	5.374	50	30		JKEAHM
O=C(C=Cc1ccccc1)C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1F	ZINC000102623616	569814680	/nfs/dbraw/zinc/81/46/80/569814680.db2.gz	SWETWLIZSGTZEL-NYEASIKNSA-N	-1	3	467.418	6.027	50	30		JKEAHM
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccccc2F)C1=C([O-])C=Cc1ccccc1	ZINC000102623616	569814681	/nfs/dbraw/zinc/81/46/81/569814681.db2.gz	SWETWLIZSGTZEL-NYEASIKNSA-N	-1	3	467.418	6.027	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccco2)cc1C	ZINC000102733345	569818426	/nfs/dbraw/zinc/81/84/26/569818426.db2.gz	UNWBDBVTULTHIQ-JBCNATCCSA-N	-1	3	460.511	5.141	50	30		JKEAHM
Cc1cccc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2cccc(Oc3ccccc3)c2)n1	ZINC000102856783	569824562	/nfs/dbraw/zinc/82/45/62/569824562.db2.gz	ZTVUDJRBZSSKLH-NXLSWJSLSA-N	-1	3	468.534	5.870	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000102860466	569824771	/nfs/dbraw/zinc/82/47/71/569824771.db2.gz	ASRCRCSQFIRTGO-HOGKFDNTSA-N	-1	3	488.634	6.590	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000102860466	569824773	/nfs/dbraw/zinc/82/47/73/569824773.db2.gz	ASRCRCSQFIRTGO-HOGKFDNTSA-N	-1	3	488.634	6.590	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccccc2)cc1	ZINC000102864939	569825574	/nfs/dbraw/zinc/82/55/74/569825574.db2.gz	ZBBYFGPIURDSAY-AYWGPLOBSA-N	-1	3	486.549	5.330	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102864872	569825668	/nfs/dbraw/zinc/82/56/68/569825668.db2.gz	ADIAPZQSQREUGL-IUKMQXEJSA-N	-1	3	498.604	6.445	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102864872	569825669	/nfs/dbraw/zinc/82/56/69/569825669.db2.gz	ADIAPZQSQREUGL-IUKMQXEJSA-N	-1	3	498.604	6.445	50	30		JKEAHM
COc1ccccc1[C@@H]1C(=C([O-])c2ccc(F)cc2)C(=O)C(=O)N1c1nc2ccc(C)cc2s1	ZINC000102874823	569826293	/nfs/dbraw/zinc/82/62/93/569826293.db2.gz	GDCAIZYMFFCROB-HOGKFDNTSA-N	-1	3	474.513	5.379	50	30		JKEAHM
COc1ccc(OC)c([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000102874819	569826406	/nfs/dbraw/zinc/82/64/06/569826406.db2.gz	VGACVGYWAPSHJJ-MRJHHRETSA-N	-1	3	492.578	5.310	50	30		JKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2ccc(C(C)(C)C)cc2)sc1C	ZINC000102928862	569827385	/nfs/dbraw/zinc/82/73/85/569827385.db2.gz	XIWSTYFKTWSQQX-WOOAAIBNSA-N	-1	3	452.601	5.745	50	30		JKEAHM
CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)nc1C	ZINC000102928790	569827394	/nfs/dbraw/zinc/82/73/94/569827394.db2.gz	JVEONSGGJLWZER-MRJHHRETSA-N	-1	3	490.581	5.378	50	30		JKEAHM
Cc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102929171	569827712	/nfs/dbraw/zinc/82/77/12/569827712.db2.gz	XQQKQUCYVJVOKU-PGVNHDJNSA-N	-1	3	460.580	5.909	50	30		JKEAHM
Cc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102929171	569827713	/nfs/dbraw/zinc/82/77/13/569827713.db2.gz	XQQKQUCYVJVOKU-PGVNHDJNSA-N	-1	3	460.580	5.909	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000102929479	569827737	/nfs/dbraw/zinc/82/77/37/569827737.db2.gz	IOBHGKJENJVUDB-UVDRRRQGSA-N	-1	3	468.578	6.156	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000102929479	569827738	/nfs/dbraw/zinc/82/77/38/569827738.db2.gz	IOBHGKJENJVUDB-UVDRRRQGSA-N	-1	3	468.578	6.156	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2)cc1	ZINC000102929761	569827768	/nfs/dbraw/zinc/82/77/68/569827768.db2.gz	AYTDPVWIHNMCMK-COUQNMRISA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2)cc1	ZINC000102929761	569827770	/nfs/dbraw/zinc/82/77/70/569827770.db2.gz	AYTDPVWIHNMCMK-COUQNMRISA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(F)c2)cc1	ZINC000102929476	569827878	/nfs/dbraw/zinc/82/78/78/569827878.db2.gz	KMOBNJWKWPWJDE-MOBKVPTQSA-N	-1	3	474.513	5.379	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3cccc(OC)c3)sc2c1	ZINC000102932427	569828718	/nfs/dbraw/zinc/82/87/18/569828718.db2.gz	YQUIKXYQJMHPDQ-ZHHPLPSFSA-N	-1	3	486.549	5.330	50	30		JKEAHM
COc1cccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000102932804	569828819	/nfs/dbraw/zinc/82/88/19/569828819.db2.gz	DWQVJWWNQXPZSZ-HOGKFDNTSA-N	-1	3	456.523	5.240	50	30		JKEAHM
COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000102932804	569828821	/nfs/dbraw/zinc/82/88/21/569828821.db2.gz	DWQVJWWNQXPZSZ-HOGKFDNTSA-N	-1	3	456.523	5.240	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccccc3OC)sc2c1	ZINC000102932216	569828870	/nfs/dbraw/zinc/82/88/70/569828870.db2.gz	BWBQAFRJLJEDDB-AYWGPLOBSA-N	-1	3	486.549	5.248	50	30		JKEAHM
COc1cccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)c1	ZINC000102932668	569828878	/nfs/dbraw/zinc/82/88/78/569828878.db2.gz	ZFMDVVSLMQVPGL-COUQNMRISA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)c1	ZINC000102932668	569828879	/nfs/dbraw/zinc/82/88/79/569828879.db2.gz	ZFMDVVSLMQVPGL-COUQNMRISA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000102933076	569829022	/nfs/dbraw/zinc/82/90/22/569829022.db2.gz	MQWGOHHSOUUFPB-MOBKVPTQSA-N	-1	3	474.513	5.379	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])C=Cc3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)cc1OC	ZINC000103520348	569835669	/nfs/dbraw/zinc/83/56/69/569835669.db2.gz	YQWHJJQFNQTAEX-FKKKBGFMSA-N	-1	3	455.510	5.195	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(Br)cc2)cc1	ZINC000104085951	569840668	/nfs/dbraw/zinc/84/06/68/569840668.db2.gz	OBFYFAJXLAJRDX-JBCNATCCSA-N	-1	3	464.315	5.084	50	30		JKEAHM
COc1cc(-c2nc3ccccn3c2N=Cc2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1[O-]	ZINC000252590180	570083923	/nfs/dbraw/zinc/08/39/23/570083923.db2.gz	AQJAWEXVAYIXEC-UHFFFAOYSA-N	-1	3	485.544	5.611	50	30		JKEAHM
CCOc1ccc(C=Nc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccc(OC)cc3)cc2)c([O-])c1	ZINC000252600695	570085002	/nfs/dbraw/zinc/08/50/02/570085002.db2.gz	DSWGDKOWXNTTIL-PMERELPUSA-N	-1	3	491.591	6.906	50	30		JKEAHM
Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc3ccc(N=Cc4ccccc4[O-])cc3s2)c(C)c1	ZINC000252609564	570085909	/nfs/dbraw/zinc/08/59/09/570085909.db2.gz	HUWKCGMEFKBWSA-SFHVURJKSA-N	-1	3	475.639	6.797	50	30		JKEAHM
Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc3ccc(N=Cc4ccccc4[O-])cc3s2)c(C)c1	ZINC000252609563	570085941	/nfs/dbraw/zinc/08/59/41/570085941.db2.gz	HUWKCGMEFKBWSA-GOSISDBHSA-N	-1	3	475.639	6.797	50	30		JKEAHM
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C(=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1	ZINC000252620757	570087312	/nfs/dbraw/zinc/08/73/12/570087312.db2.gz	MLPGAKGZEUFMJF-PERKRYKHSA-N	-1	3	468.510	5.323	50	30		JKEAHM
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C(=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1	ZINC000252620759	570087319	/nfs/dbraw/zinc/08/73/19/570087319.db2.gz	MLPGAKGZEUFMJF-ZWDAVXSWSA-N	-1	3	468.510	5.323	50	30		JKEAHM
CCOc1cc(/C=C2/SC(=Nc3ccccc3)N(CC)C2=O)cc(I)c1[O-]	ZINC000252624231	570087946	/nfs/dbraw/zinc/08/79/46/570087946.db2.gz	PJQSCFLLRCZOPU-UBLAJHMLSA-N	-1	3	494.354	5.019	50	30		JKEAHM
CCOc1cc(Br)cc(C=Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1[O-]	ZINC000252625477	570088258	/nfs/dbraw/zinc/08/82/58/570088258.db2.gz	QKVAIAXJJDOMRX-UHFFFAOYSA-N	-1	3	471.738	6.766	50	30		JKEAHM
Cc1ccc(Nc2nc(N=NCc3cccc(Cl)c3)nc([N-]c3ccc([N+](=O)[O-])cc3)n2)cc1C	ZINC000252628026	570088761	/nfs/dbraw/zinc/08/87/61/570088761.db2.gz	SGSHNXLZODTABK-UHFFFAOYSA-N	-1	3	488.939	5.983	50	30		JKEAHM
COc1cc(-c2nc3ccccn3c2N=Cc2ccc(-c3ccc(Br)cc3)o2)ccc1[O-]	ZINC000252636963	570089993	/nfs/dbraw/zinc/08/99/93/570089993.db2.gz	XOKJBDOTEZQGJI-UHFFFAOYSA-N	-1	3	488.341	6.489	50	30		JKEAHM
Cc1nn(-c2ccccc2)c(N=Cc2cc(Br)ccc2[O-])c1-c1ccc(Cl)cc1	ZINC000252637369	570090100	/nfs/dbraw/zinc/09/01/00/570090100.db2.gz	XSJZNJWKJLXGAS-UHFFFAOYSA-N	-1	3	466.766	6.720	50	30		JKEAHM
Cc1cc2nc(-c3cc(NC=c4c(C)c(C#N)c5nc6ccccc6n5c4=O)ccc3[O-])oc2c(C)c1	ZINC000253531712	570103075	/nfs/dbraw/zinc/10/30/75/570103075.db2.gz	XYPIBHMUKQUKMU-UHFFFAOYSA-N	-1	3	487.519	6.254	50	30		JKEAHM
CCc1c(C)sc([N-]C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)c1C#N	ZINC000001064365	194013391	/nfs/dbraw/zinc/01/33/91/194013391.db2.gz	CHMAZIYWWJNKCM-UHFFFAOYSA-N	-1	3	455.465	5.471	50	30		JKEAHM
Cc1cc(C)nc(N=C([N-]C(=O)NC2CCCCC2)Nc2ccccc2Sc2ccccc2)n1	ZINC000001862473	194150964	/nfs/dbraw/zinc/15/09/64/194150964.db2.gz	UIZCZIPQCUKRIH-UHFFFAOYSA-N	-1	3	474.634	5.976	50	30		JKEAHM
COc1cc(Br)c(Br)c(/C=N/c2cccc(Cl)c2Cl)c1[O-]	ZINC000003066663	194223720	/nfs/dbraw/zinc/22/37/20/194223720.db2.gz	ZCSWOBHRMHJFSA-KPSZGOFPSA-N	-1	3	453.945	5.983	50	30		JKEAHM
Cc1ccc(-c2nc3cc(/N=C/c4cc(C)cc(I)c4[O-])ccc3o2)cc1	ZINC000003050822	194218829	/nfs/dbraw/zinc/21/88/29/194218829.db2.gz	HIIQZCCKTGXITO-WYMPLXKRSA-N	-1	3	468.294	6.172	50	30		JKEAHM
Cc1cc(I)c([O-])c(/C=N/c2ccc3oc(-c4cccc(Cl)c4)nc3c2)c1	ZINC000003050808	194218891	/nfs/dbraw/zinc/21/88/91/194218891.db2.gz	FWCQVXHJMLOFLO-BHGWPJFGSA-N	-1	3	488.712	6.517	50	30		JKEAHM
[O-]c1ccc2ccccc2c1/C=N/c1ccc2oc(-c3ccc(I)cc3)nc2c1	ZINC000003169733	194233689	/nfs/dbraw/zinc/23/36/89/194233689.db2.gz	WUKMIFAXCLGLLM-VULFUBBASA-N	-1	3	490.300	6.709	50	30		JKEAHM
CCC[C@H](C)c1ccc(O)c(/N=C/c2c([O-])c(OC)cc(Br)c2Br)c1	ZINC000003113577	194227198	/nfs/dbraw/zinc/22/71/98/194227198.db2.gz	KTOUKIFHNRDRPH-ZOCVZFIWSA-N	-1	3	471.189	6.286	50	30		JKEAHM
CCCCOc1nc2ccccc2nc1[N-]c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N	ZINC000003201994	194238442	/nfs/dbraw/zinc/23/84/42/194238442.db2.gz	PYFSQVHOLNYHBK-UHFFFAOYSA-N	-1	3	460.537	7.351	50	30		JKEAHM
Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[N-]c4sc5c(c4C#N)CC[C@@H](C)C5)cc3n2)cc1	ZINC000003629497	194343885	/nfs/dbraw/zinc/34/38/85/194343885.db2.gz	UEIKTPTWYSVQFV-CQSZACIVSA-N	-1	3	495.530	6.034	50	30		JKEAHM
C[C@@H]1CCc2c(C#N)c(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccccc4Cl)c3)sc2C1	ZINC000003621112	194341954	/nfs/dbraw/zinc/34/19/54/194341954.db2.gz	DKDUGIGDDYEKFP-CQSZACIVSA-N	-1	3	486.018	5.451	50	30		JKEAHM
Cc1cc(C)c([N-]S(=O)(=O)c2ccc(/N=C/c3ccc(OCc4ccccc4)cc3)cc2)c(C)c1	ZINC000006023448	194410415	/nfs/dbraw/zinc/41/04/15/194410415.db2.gz	BXXAVRWFUSAIOG-NDZAJKAJSA-N	-1	3	484.621	6.742	50	30		JKEAHM
COc1cc(/C=C2\CN(CC3CC3)C/C(=C\c3cc(Cl)c(O)c(OC)c3)C2=O)cc(Cl)c1[O-]	ZINC000096314567	130058364	/nfs/dbraw/zinc/05/83/64/130058364.db2.gz	DIIGHKVINQRUDW-QJZPKIEXSA-N	-1	3	490.383	5.184	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2F)cc1	ZINC000102493335	130147739	/nfs/dbraw/zinc/14/77/39/130147739.db2.gz	GNERAGMQUSLPQX-HOGKFDNTSA-N	-1	3	458.514	5.679	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102494465	130148791	/nfs/dbraw/zinc/14/87/91/130148791.db2.gz	LARJTALPPCATPT-SBXHHDGASA-N	-1	3	486.568	6.494	50	30		JKEAHM
CCOc1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102496392	130150675	/nfs/dbraw/zinc/15/06/75/130150675.db2.gz	BQZJMIZHUIKBCL-NXLSWJSLSA-N	-1	3	484.577	5.938	50	30		JKEAHM
CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102496392	130150678	/nfs/dbraw/zinc/15/06/78/130150678.db2.gz	BQZJMIZHUIKBCL-NXLSWJSLSA-N	-1	3	484.577	5.938	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000102500834	130154922	/nfs/dbraw/zinc/15/49/22/130154922.db2.gz	TVPQEQVUNCXYMG-MOBKVPTQSA-N	-1	3	474.969	6.193	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1	ZINC000102502805	130156984	/nfs/dbraw/zinc/15/69/84/130156984.db2.gz	DRELZSJKGJNHQU-COUQNMRISA-N	-1	3	486.593	6.430	50	30		JKEAHM
CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102504191	130158297	/nfs/dbraw/zinc/15/82/97/130158297.db2.gz	RJJHOCTVQYEMBY-IUKMQXEJSA-N	-1	3	456.542	5.620	50	30		JKEAHM
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102504191	130158300	/nfs/dbraw/zinc/15/83/00/130158300.db2.gz	RJJHOCTVQYEMBY-IUKMQXEJSA-N	-1	3	456.542	5.620	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(C)cc2)cc1OC	ZINC000102511982	130165962	/nfs/dbraw/zinc/16/59/62/130165962.db2.gz	DBECZXGTWLAALG-AYWGPLOBSA-N	-1	3	463.917	5.292	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000102525957	130178398	/nfs/dbraw/zinc/17/83/98/130178398.db2.gz	YGYNBQJKRKRKQH-NXLSWJSLSA-N	-1	3	498.604	6.229	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000102525957	130178401	/nfs/dbraw/zinc/17/84/01/130178401.db2.gz	YGYNBQJKRKRKQH-NXLSWJSLSA-N	-1	3	498.604	6.229	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102533633	130187354	/nfs/dbraw/zinc/18/73/54/130187354.db2.gz	KPESIDQOXOEZMG-SADKCHQCSA-N	-1	3	471.494	5.139	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102540678	130196076	/nfs/dbraw/zinc/19/60/76/130196076.db2.gz	NYMPRWMTGMDGST-MOBKVPTQSA-N	-1	3	474.513	5.379	50	30		JKEAHM
O=C(C1=C([O-])C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	ZINC000102541839	130197656	/nfs/dbraw/zinc/19/76/56/130197656.db2.gz	QNDZYNSYEJQHJY-NHFXJNLRSA-N	-1	3	473.743	5.664	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1OC	ZINC000102566166	130211972	/nfs/dbraw/zinc/21/19/72/130211972.db2.gz	CAMHAXWTGUFIHJ-ZHHPLPSFSA-N	-1	3	463.917	5.292	50	30		JKEAHM
CCCCCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1	ZINC000102577501	130215486	/nfs/dbraw/zinc/21/54/86/130215486.db2.gz	YDPAJLCQFIJSRQ-SBXHHDGASA-N	-1	3	460.530	5.487	50	30		JKEAHM
CC(C)c1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nccs2)cc1	ZINC000102621396	130225665	/nfs/dbraw/zinc/22/56/65/130225665.db2.gz	CJNVVCCGQFGFCD-CBLITQMPSA-N	-1	3	460.555	5.216	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccc(N(C)C)cc2)cc1	ZINC000102625343	130226592	/nfs/dbraw/zinc/22/65/92/130226592.db2.gz	IWDRHCLCASNBQV-AYWGPLOBSA-N	-1	3	462.933	5.041	50	30		JKEAHM
COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccc(N(C)C)cc2)cc1	ZINC000102625343	130226594	/nfs/dbraw/zinc/22/65/94/130226594.db2.gz	IWDRHCLCASNBQV-AYWGPLOBSA-N	-1	3	462.933	5.041	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C)o2)cc1C	ZINC000102708392	130254797	/nfs/dbraw/zinc/25/47/97/130254797.db2.gz	JFEPAEMFIVCECP-COUQNMRISA-N	-1	3	488.565	5.758	50	30		JKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cc4ccccc4o3)[C@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000102713153	130259485	/nfs/dbraw/zinc/25/94/85/130259485.db2.gz	FYGFMSYJLHFAEL-ZHHPLPSFSA-N	-1	3	456.498	5.653	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccco2)cc1C	ZINC000102715092	130261286	/nfs/dbraw/zinc/26/12/86/130261286.db2.gz	SILPAHLUXKERKV-IAMBOQNYSA-N	-1	3	474.538	5.449	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccs2)cc1C	ZINC000102734122	130278288	/nfs/dbraw/zinc/27/82/88/130278288.db2.gz	DGJXLSKZXSEYKX-IAMBOQNYSA-N	-1	3	490.606	5.918	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccs2)cc1C	ZINC000102734122	130278291	/nfs/dbraw/zinc/27/82/91/130278291.db2.gz	DGJXLSKZXSEYKX-IAMBOQNYSA-N	-1	3	490.606	5.918	50	30		JKEAHM
C[C@@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1	ZINC000102735431	130280110	/nfs/dbraw/zinc/28/01/10/130280110.db2.gz	GPJGTWMOIIVBCG-NYSCORLISA-N	-1	3	474.582	5.390	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@H]3c3ccc(O)cc3)sc2c1	ZINC000102771175	130296031	/nfs/dbraw/zinc/29/60/31/130296031.db2.gz	AOHABQPCTVVWBB-HALAOQOWSA-N	-1	3	498.560	5.260	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3)nc2c(C)c1	ZINC000102771431	130296744	/nfs/dbraw/zinc/29/67/44/130296744.db2.gz	YTJUUZARZNWQBU-CMAXRPJBSA-N	-1	3	496.588	5.863	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@H]3c3ccccc3)nc2c(C)c1	ZINC000102771431	130296746	/nfs/dbraw/zinc/29/67/46/130296746.db2.gz	YTJUUZARZNWQBU-CMAXRPJBSA-N	-1	3	496.588	5.863	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cccc(Br)c2)cc1	ZINC000102803221	130310892	/nfs/dbraw/zinc/31/08/92/130310892.db2.gz	YXTIWNVXAQBCIC-JBCNATCCSA-N	-1	3	464.315	5.084	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@@H]3c3ccccc3)nc2c(C)c1	ZINC000102858068	130328251	/nfs/dbraw/zinc/32/82/51/130328251.db2.gz	PIXUHPFZCVWREP-HFEWCJDKSA-N	-1	3	474.969	6.193	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C)cc2)cc1Cl	ZINC000102862185	130334081	/nfs/dbraw/zinc/33/40/81/130334081.db2.gz	RSUCWLFRLCFGTP-YDJIHCHBSA-N	-1	3	468.962	5.357	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C)cc2)cc1Cl	ZINC000102862191	130334124	/nfs/dbraw/zinc/33/41/24/130334124.db2.gz	RSUCWLFRLCFGTP-NHFXJNLRSA-N	-1	3	468.962	5.357	50	30		JKEAHM
CCOc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102864627	130336583	/nfs/dbraw/zinc/33/65/83/130336583.db2.gz	KELDXXSYRJEJEG-AYWGPLOBSA-N	-1	3	470.550	5.630	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccccc3s2)c(OC)c1	ZINC000102865557	130338154	/nfs/dbraw/zinc/33/81/54/130338154.db2.gz	VZSIAGNFWGEJIS-ZHHPLPSFSA-N	-1	3	486.549	5.248	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000102865789	130338280	/nfs/dbraw/zinc/33/82/80/130338280.db2.gz	YUSQYFIADFMSHU-MOBKVPTQSA-N	-1	3	472.566	6.122	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccccc3)sc2c1	ZINC000102872796	130344283	/nfs/dbraw/zinc/34/42/83/130344283.db2.gz	AHTFOOFCXBAYSR-HOGKFDNTSA-N	-1	3	456.523	5.240	50	30		JKEAHM
CCOc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102876853	130349372	/nfs/dbraw/zinc/34/93/72/130349372.db2.gz	VHQLJXGOUGTVAK-ZZIWUOEGSA-N	-1	3	484.577	5.938	50	30		JKEAHM
CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102876853	130349375	/nfs/dbraw/zinc/34/93/75/130349375.db2.gz	VHQLJXGOUGTVAK-ZZIWUOEGSA-N	-1	3	484.577	5.938	50	30		JKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)sc1C	ZINC000102877317	130350296	/nfs/dbraw/zinc/35/02/96/130350296.db2.gz	CNZQTYWDFUMOLZ-MRJHHRETSA-N	-1	3	464.562	5.823	50	30		JKEAHM
COc1cccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1OC	ZINC000102877320	130350555	/nfs/dbraw/zinc/35/05/55/130350555.db2.gz	SUNXTWLPZNCVAP-YDJIHCHBSA-N	-1	3	492.578	5.310	50	30		JKEAHM
COc1ccccc1[C@@H]1C(=C([O-])c2ccc(C)o2)C(=O)C(=O)N1c1nc2c(cc(C)cc2C)s1	ZINC000102878867	130353419	/nfs/dbraw/zinc/35/34/19/130353419.db2.gz	AVSKRZCLTXMKQY-IAMBOQNYSA-N	-1	3	474.538	5.449	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(Cl)cc3)nc2c(C)c1	ZINC000102881554	130358722	/nfs/dbraw/zinc/35/87/22/130358722.db2.gz	LJRKWLFCSXAOTC-IAMBOQNYSA-N	-1	3	474.969	6.193	50	30		JKEAHM
CCOc1ccc([C@H]2C(=C([O-])c3ccc4ccccc4c3)C(=O)C(=O)N2c2cc(C)on2)cc1OC	ZINC000102891347	130372737	/nfs/dbraw/zinc/37/27/37/130372737.db2.gz	WCSFHLPGIJSOGT-IUKMQXEJSA-N	-1	3	484.508	5.170	50	30		JKEAHM
CCOc1ccc([C@@H]2C(=C([O-])c3ccc4ccccc4c3)C(=O)C(=O)N2c2cc(C)on2)cc1OC	ZINC000102891344	130372744	/nfs/dbraw/zinc/37/27/44/130372744.db2.gz	WCSFHLPGIJSOGT-NPJIAGGLSA-N	-1	3	484.508	5.170	50	30		JKEAHM
CCOc1ccc([C@@H]2C(=C([O-])c3ccc4ccccc4c3)C(=O)C(=O)N2c2cc(C)on2)cc1	ZINC000102892237	130374332	/nfs/dbraw/zinc/37/43/32/130374332.db2.gz	PEGBKCHFGVNBNT-SBXHHDGASA-N	-1	3	454.482	5.161	50	30		JKEAHM
CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102893904	130376159	/nfs/dbraw/zinc/37/61/59/130376159.db2.gz	LEHOBDZFTHHAGM-SBXHHDGASA-N	-1	3	474.557	5.696	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2F)cc1	ZINC000102924965	130395102	/nfs/dbraw/zinc/39/51/02/130395102.db2.gz	RDALMZYRUGVJSD-ZHHPLPSFSA-N	-1	3	488.540	5.769	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000102933147	130414731	/nfs/dbraw/zinc/41/47/31/130414731.db2.gz	KKIWWQQWUPCUDB-MRJHHRETSA-N	-1	3	471.494	5.139	50	30		JKEAHM
CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC=CC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1	ZINC000009355004	518386743	/nfs/dbraw/zinc/38/67/43/518386743.db2.gz	ULYXBWXUBNQIEQ-OUKQBFOZSA-N	-1	3	489.380	5.805	50	30		JKEAHM
C=C(C)C(=O)Nc1ccc(Cl)c(Nc2cc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[n-]2)c1	ZINC000012379168	518586298	/nfs/dbraw/zinc/58/62/98/518586298.db2.gz	GVZNQFXRDXKCOM-UHFFFAOYSA-N	-1	3	472.159	5.977	50	30		JKEAHM
C=CCC[C@H](O)CN(Cc1nc(=O)c2c(-c3cccc(OC)c3)csc2[n-]1)C1CCCCC1	ZINC000036207910	518725096	/nfs/dbraw/zinc/72/50/96/518725096.db2.gz	TVCZYTYWUCGAFP-FQEVSTJZSA-N	-1	3	467.635	5.122	50	30		JKEAHM
CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3sc4cc(Cl)ccc4c3Cl)sc2C1	ZINC000006075245	518943432	/nfs/dbraw/zinc/94/34/32/518943432.db2.gz	MTGDGUCYEVGMIP-LLVKDONJSA-N	-1	3	463.455	7.545	50	30		JKEAHM
C=CCOc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000009046350	519043543	/nfs/dbraw/zinc/04/35/43/519043543.db2.gz	CSCHHWJIYKFXSC-JOCHJYFZSA-N	-1	3	488.590	6.014	50	30		JKEAHM
C=CCn1c(SCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)nnc1C1CCCCC1	ZINC000002620672	519249210	/nfs/dbraw/zinc/24/92/10/519249210.db2.gz	LFMOTEMEYYGURU-UHFFFAOYSA-N	-1	3	463.632	5.769	50	30		JKEAHM
CC(=O)Nc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000009333766	519720580	/nfs/dbraw/zinc/72/05/80/519720580.db2.gz	ODDXIWMRMNBDGL-QFIPXVFZSA-N	-1	3	491.341	5.190	50	30		JKEAHM
CC(C)Oc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000009065527	519778567	/nfs/dbraw/zinc/77/85/67/519778567.db2.gz	XENFZYNANZDENJ-QFIPXVFZSA-N	-1	3	462.571	5.837	50	30		JKEAHM
CCCCCCCNC(=O)c1cnc2ccc(S(=O)(=O)N(C)c3ccc(C(C)C)cc3)cc2c1[O-]	ZINC000003032050	520052964	/nfs/dbraw/zinc/05/29/64/520052964.db2.gz	XODLWKREOVDFKK-UHFFFAOYSA-N	-1	3	497.661	5.177	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@H]2c1cccc(OCc2ccccc2)c1	ZINC000012346902	520260159	/nfs/dbraw/zinc/26/01/59/520260159.db2.gz	IALMVNRRIQYVKZ-SANMLTNESA-N	-1	3	491.591	5.945	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccc(Br)cc1	ZINC000012346808	520267188	/nfs/dbraw/zinc/26/71/88/520267188.db2.gz	QMHMHUVSSLINBV-LJQANCHMSA-N	-1	3	464.363	5.541	50	30		JKEAHM
CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000009506993	520330709	/nfs/dbraw/zinc/33/07/09/520330709.db2.gz	AIIVVNQQPMPVBN-DEOSSOPVSA-N	-1	3	474.557	5.852	50	30		JKEAHM
CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C	ZINC000008433208	520331186	/nfs/dbraw/zinc/33/11/86/520331186.db2.gz	YYVVBIYFXOXIAY-AREMUKBSSA-N	-1	3	484.596	6.259	50	30		JKEAHM
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C	ZINC000008433208	520331190	/nfs/dbraw/zinc/33/11/90/520331190.db2.gz	YYVVBIYFXOXIAY-AREMUKBSSA-N	-1	3	484.596	6.259	50	30		JKEAHM
CCOc1cc(/C=C2/S/C(=N\c3ccc(Br)cc3)NC2=O)cc(Br)c1[O-]	ZINC000033348089	520624074	/nfs/dbraw/zinc/62/40/74/520624074.db2.gz	DODPAORQUCDYTF-OQLLNIDSSA-N	-1	3	498.196	5.208	50	30		JKEAHM
CCOc1cc(/C=C2\S/C(=N/c3cccc(Br)c3)NC2=O)cc(Br)c1[O-]	ZINC000009311680	520631188	/nfs/dbraw/zinc/63/11/88/520631188.db2.gz	HSTBJYKBNIQPQE-NVNXTCNLSA-N	-1	3	498.196	5.208	50	30		JKEAHM
CCOc1cc(Br)cc(/C=N/c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1[O-]	ZINC000004181473	520651462	/nfs/dbraw/zinc/65/14/62/520651462.db2.gz	HHGVAASRQIFJHA-DHRITJCHSA-N	-1	3	473.754	6.210	50	30		JKEAHM
CCOc1cc(Br)cc(/C=N/c2cccc(NC(=O)c3cccc(Cl)c3)c2)c1[O-]	ZINC000009553851	520651583	/nfs/dbraw/zinc/65/15/83/520651583.db2.gz	RZPLOFUIAXDOIF-DHRITJCHSA-N	-1	3	473.754	6.210	50	30		JKEAHM
CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1[O-]	ZINC000010013461	520775112	/nfs/dbraw/zinc/77/51/12/520775112.db2.gz	BBJBEHMLRJWLDJ-OAQYLSRUSA-N	-1	3	494.053	5.345	50	30		JKEAHM
CCOc1cc([C@@H]2C(C(=O)OCc3ccc(OC)cc3)=C(C)NC3=C2C(=O)CCC3)cc(Cl)c1[O-]	ZINC000009010202	520775597	/nfs/dbraw/zinc/77/55/97/520775597.db2.gz	ZGTSKIXJAQDOFN-XMMPIXPASA-N	-1	3	497.975	5.164	50	30		JKEAHM
CCOc1cc([C@H]2C(C(=O)OCc3ccc(OC)cc3)=C(C)NC3=C2C(=O)CCC3)cc(Cl)c1[O-]	ZINC000009010201	520780785	/nfs/dbraw/zinc/78/07/85/520780785.db2.gz	ZGTSKIXJAQDOFN-DEOSSOPVSA-N	-1	3	497.975	5.164	50	30		JKEAHM
CCOc1cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@H](c2ccc(CC)cc2)C3)cc(Cl)c1[O-]	ZINC000016426727	520781209	/nfs/dbraw/zinc/78/12/09/520781209.db2.gz	HNOQQALMXJTCNH-CJAUYULYSA-N	-1	3	496.003	5.541	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(O)c(OCC)c2)cc1	ZINC000009071905	520880814	/nfs/dbraw/zinc/88/08/14/520880814.db2.gz	PEZZKPNMALAYPE-JOCHJYFZSA-N	-1	3	494.569	5.046	50	30		JKEAHM
CCN(CC)c1ccc(C=NN=C2N=C(Nc3ccccc3)C(=Nc3ccccc3)S2)c([O-])c1	ZINC000008399173	520881778	/nfs/dbraw/zinc/88/17/78/520881778.db2.gz	VKJQCQBXWCWNTG-VPLYQCJGSA-N	-1	3	470.602	5.725	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000009334250	520884612	/nfs/dbraw/zinc/88/46/12/520884612.db2.gz	IATXWZWYJADTMD-DEOSSOPVSA-N	-1	3	484.577	6.095	50	30		JKEAHM
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000009334250	520884618	/nfs/dbraw/zinc/88/46/18/520884618.db2.gz	IATXWZWYJADTMD-DEOSSOPVSA-N	-1	3	484.577	6.095	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccccc2)cc1	ZINC000009043966	520884665	/nfs/dbraw/zinc/88/46/65/520884665.db2.gz	ZWCVJJDPIYRNLV-HSZRJFAPSA-N	-1	3	486.549	5.487	50	30		JKEAHM
CCCCOc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nccs2)c1	ZINC000009293035	520909593	/nfs/dbraw/zinc/90/95/93/520909593.db2.gz	RERIZLTVWAMVMN-HJPURHCSSA-N	-1	3	490.581	5.428	50	30		JKEAHM
CCOc1ccc(N2C(=O)C([O-])=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009243577	521034207	/nfs/dbraw/zinc/03/42/07/521034207.db2.gz	OBODMTMBMNSHJP-FLQJWANXSA-N	-1	3	470.481	5.176	50	30		JKEAHM
CCOc1ccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009243577	521034216	/nfs/dbraw/zinc/03/42/16/521034216.db2.gz	OBODMTMBMNSHJP-FLQJWANXSA-N	-1	3	470.481	5.176	50	30		JKEAHM
CCOc1ccc(N2C(=O)C([O-])=C(C(=O)C=Cc3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000009275570	521034486	/nfs/dbraw/zinc/03/44/86/521034486.db2.gz	QDDMHXHREWFIRC-AEJUBQKPSA-N	-1	3	470.481	5.176	50	30		JKEAHM
CCOc1ccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000009275570	521034496	/nfs/dbraw/zinc/03/44/96/521034496.db2.gz	QDDMHXHREWFIRC-AEJUBQKPSA-N	-1	3	470.481	5.176	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccc(C)cc3)sc2c1	ZINC000009178023	521298856	/nfs/dbraw/zinc/29/88/56/521298856.db2.gz	ADPRHJVYNKZTON-DEOSSOPVSA-N	-1	3	484.577	6.095	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(C)cc3)sc2c1	ZINC000009175160	521300256	/nfs/dbraw/zinc/30/02/56/521300256.db2.gz	YPSYADFAJYFHTP-HSZRJFAPSA-N	-1	3	470.550	5.786	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(C)cc3)sc2c1	ZINC000009175170	521301491	/nfs/dbraw/zinc/30/14/91/521301491.db2.gz	YPSYADFAJYFHTP-QHCPKHFHSA-N	-1	3	470.550	5.786	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3ccccc3)sc2c1	ZINC000009122795	521301542	/nfs/dbraw/zinc/30/15/42/521301542.db2.gz	LFUHOYRCBMVHDN-QHCPKHFHSA-N	-1	3	486.549	5.487	50	30		JKEAHM
COc1cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc(Cl)c1[O-]	ZINC000004105591	521996011	/nfs/dbraw/zinc/99/60/11/521996011.db2.gz	VMZLIIOKKAENDK-AFUMVMLFSA-N	-1	3	461.913	5.172	50	30		JKEAHM
COc1cc(Br)cc(/C=N/c2cc(-c3nc4ccccc4o3)ccc2OC)c1[O-]	ZINC000000864867	522023989	/nfs/dbraw/zinc/02/39/89/522023989.db2.gz	IWVZPBHTBPZUTL-WYMPLXKRSA-N	-1	3	453.292	5.731	50	30		JKEAHM
CN(C)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000009089121	522216923	/nfs/dbraw/zinc/21/69/23/522216923.db2.gz	XVEREALDPWEIBV-JOCHJYFZSA-N	-1	3	477.904	5.097	50	30		JKEAHM
CN(C)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000009089122	522218172	/nfs/dbraw/zinc/21/81/72/522218172.db2.gz	XVEREALDPWEIBV-QFIPXVFZSA-N	-1	3	477.904	5.097	50	30		JKEAHM
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc(Cl)cc2)nc1C	ZINC000016736918	522420512	/nfs/dbraw/zinc/42/05/12/522420512.db2.gz	WQDMIDNEBFYGIL-BNCSFYMNSA-N	-1	3	494.956	5.074	50	30		JKEAHM
COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@@H]2c2ccc(Cl)cc2)nc1C	ZINC000016736918	522420521	/nfs/dbraw/zinc/42/05/21/522420521.db2.gz	WQDMIDNEBFYGIL-BNCSFYMNSA-N	-1	3	494.956	5.074	50	30		JKEAHM
COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(Br)c1[O-]	ZINC000001155585	522933159	/nfs/dbraw/zinc/93/31/59/522933159.db2.gz	IPSHTUJRJRRVPR-ZLOXQWCVSA-N	-1	3	497.414	6.204	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccco2)cc1C	ZINC000009462645	523568596	/nfs/dbraw/zinc/56/85/96/523568596.db2.gz	VJHXMWOOWBDFIM-QFIPXVFZSA-N	-1	3	474.538	5.606	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccco2)cc1C	ZINC000009462644	523568726	/nfs/dbraw/zinc/56/87/26/523568726.db2.gz	VJHXMWOOWBDFIM-JOCHJYFZSA-N	-1	3	474.538	5.606	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccccc2)cc1	ZINC000009065058	523572576	/nfs/dbraw/zinc/57/25/76/523572576.db2.gz	FONPGJKORQOGCA-JOCHJYFZSA-N	-1	3	472.522	5.096	50	30		JKEAHM
CC[C@H](C(=O)[N-]C(=Nc1nc(C)cc(C)n1)Nc1ccc(OCc2ccccc2)cc1)c1ccccc1	ZINC000017147165	523748482	/nfs/dbraw/zinc/74/84/82/523748482.db2.gz	GWQIXCUTDMFXFZ-MHZLTWQESA-N	-1	3	493.611	6.922	50	30		JKEAHM
C[C@@H]1CCCCN1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc(Br)cc3c1OCOC3)O2	ZINC000020663602	524114916	/nfs/dbraw/zinc/11/49/16/524114916.db2.gz	GIJKNETWGHIMNQ-YYLUKMIBSA-N	-1	3	486.362	5.012	50	30		JKEAHM
C[C@@H]1CCCCN1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc3cc(Br)ccc3o1)O2	ZINC000020649635	524115247	/nfs/dbraw/zinc/11/52/47/524115247.db2.gz	FCGPQPWXSFEVRQ-JCRYTKJOSA-N	-1	3	468.347	5.892	50	30		JKEAHM
COc1cccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)c1	ZINC000009233954	524173463	/nfs/dbraw/zinc/17/34/63/524173463.db2.gz	ZDLXRFSJYQGYBC-FQEVSTJZSA-N	-1	3	462.552	5.458	50	30		JKEAHM
Cc1cccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@@H]2c2ccc(Br)cc2)c1	ZINC000009370698	524531830	/nfs/dbraw/zinc/53/18/30/524531830.db2.gz	ZUTCELHSSIETLZ-XKVZMTQCSA-N	-1	3	474.354	5.940	50	30		JKEAHM
C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cc(-c4cccs4)nc4onc(-c5ccccc5)c43)sc2C1	ZINC000013641408	524721284	/nfs/dbraw/zinc/72/12/84/524721284.db2.gz	VIEYFJYZLGSPQI-OAHLLOKOSA-N	-1	3	496.617	6.929	50	30		JKEAHM
COc1ccccc1[C@@H]1C(=C([O-])c2ccc(F)cc2)C(=O)C(=O)N1c1nc2c(cc(C)cc2C)s1	ZINC000009232536	524747362	/nfs/dbraw/zinc/74/73/62/524747362.db2.gz	NHRNFWHPVKLWEZ-HSZRJFAPSA-N	-1	3	488.540	5.844	50	30		JKEAHM
COc1ccccc1[C@H]1C(=C([O-])c2ccc(F)cc2)C(=O)C(=O)N1c1nc2ccc(C)cc2s1	ZINC000009008450	524802522	/nfs/dbraw/zinc/80/25/22/524802522.db2.gz	OKGOUJRLVLCCCO-QFIPXVFZSA-N	-1	3	474.513	5.535	50	30		JKEAHM
COc1ccccc1[C@H]1C(=C([O-])c2ccc(F)cc2)C(=O)C(=O)N1c1nc2c(cc(C)cc2C)s1	ZINC000009232541	524802675	/nfs/dbraw/zinc/80/26/75/524802675.db2.gz	NHRNFWHPVKLWEZ-QHCPKHFHSA-N	-1	3	488.540	5.844	50	30		JKEAHM
C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nc5ccc(F)cc5s4)[C@@H]3c3ccccc3)ccc2O1	ZINC000009373737	524977165	/nfs/dbraw/zinc/97/71/65/524977165.db2.gz	JZQVCGZPFZSDQL-LFVRLGFBSA-N	-1	3	486.524	5.542	50	30		JKEAHM
C[C@H]1Cc2cc(C([O-])=C3C(=O)C(=O)N(c4nccs4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1	ZINC000009123782	524980382	/nfs/dbraw/zinc/98/03/82/524980382.db2.gz	JPTIBPJAVQXKAX-NYHFZMIOSA-N	-1	3	474.582	5.547	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])C=Cc3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)cc1OC	ZINC000009015433	525216266	/nfs/dbraw/zinc/21/62/66/525216266.db2.gz	GMIGTVLVWSCDQC-FXXWNWNUSA-N	-1	3	455.510	5.195	50	30	biogenic	JKEAHM
Cc1ccccc1N1C(=O)C(=O)C(=C([O-])C=Cc2ccccc2)[C@H]1c1ccc(Br)cc1	ZINC000022185135	525220902	/nfs/dbraw/zinc/22/09/02/525220902.db2.gz	ZJOFYPMVDCVIQT-JOPVOSQUSA-N	-1	3	474.354	5.940	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1OC	ZINC000009272726	525223517	/nfs/dbraw/zinc/22/35/17/525223517.db2.gz	YZGLTOYSCZEAIO-HSZRJFAPSA-N	-1	3	463.917	5.449	50	30		JKEAHM
Cc1cc([O-])c(CN2CCCCCC2)c2c1C(=O)/C(=C/c1cc3cc(Br)ccc3o1)O2	ZINC000020646785	525315153	/nfs/dbraw/zinc/31/51/53/525315153.db2.gz	AMXYZHRXYXGMNL-XKZIYDEJSA-N	-1	3	482.374	6.202	50	30		JKEAHM
Cc1[nH]c2ccccc2c1CN=Nc1nc([N-]c2ccc([N+](=O)[O-])cc2)nc(Nc2ccccc2)n1	ZINC000003941614	525432882	/nfs/dbraw/zinc/43/28/82/525432882.db2.gz	BKUOGLLIOHWALK-CVKSISIWSA-N	-1	3	479.504	5.503	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])C=Cc4ccccc4)[C@@H]3c3cccc(OC)c3)sc2c1	ZINC000016736926	525669079	/nfs/dbraw/zinc/66/90/79/525669079.db2.gz	LMGWPAOMKJKMSX-MYILAFDMSA-N	-1	3	498.560	5.496	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccccc3OC)sc2c1	ZINC000009066900	525669388	/nfs/dbraw/zinc/66/93/88/525669388.db2.gz	XXLTUAOBZDKHKL-JOCHJYFZSA-N	-1	3	472.522	5.096	50	30		JKEAHM
COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000009271359	525669750	/nfs/dbraw/zinc/66/97/50/525669750.db2.gz	XBWMUQCSYXCPFX-JOCHJYFZSA-N	-1	3	490.606	6.273	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1	ZINC000009270545	525697743	/nfs/dbraw/zinc/69/77/43/525697743.db2.gz	WIJOCPXKDWHQKL-HSZRJFAPSA-N	-1	3	486.593	6.587	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccc(C(C)C)cc3)nc2c(C)c1	ZINC000009271390	525698651	/nfs/dbraw/zinc/69/86/51/525698651.db2.gz	IXJADCHFCOMILK-QHCPKHFHSA-N	-1	3	472.566	6.412	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3)nc2c(C)c1	ZINC000009358417	525699595	/nfs/dbraw/zinc/69/95/95/525699595.db2.gz	USPKPWHNXGSUBC-NSYGIPOTSA-N	-1	3	496.588	6.019	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccccc3)nc2c(C)c1	ZINC000009358417	525699607	/nfs/dbraw/zinc/69/96/07/525699607.db2.gz	USPKPWHNXGSUBC-NSYGIPOTSA-N	-1	3	496.588	6.019	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2F)c1	ZINC000009411233	525784806	/nfs/dbraw/zinc/78/48/06/525784806.db2.gz	GYCVKUXKJSLRHP-HSZRJFAPSA-N	-1	3	488.540	5.844	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000009380664	526027240	/nfs/dbraw/zinc/02/72/40/526027240.db2.gz	ZLHFEJYVFWKXIS-QHCPKHFHSA-N	-1	3	491.385	5.606	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(N(C)C)cc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000009380664	526027254	/nfs/dbraw/zinc/02/72/54/526027254.db2.gz	ZLHFEJYVFWKXIS-QHCPKHFHSA-N	-1	3	491.385	5.606	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1	ZINC000009334377	526030126	/nfs/dbraw/zinc/03/01/26/526030126.db2.gz	QJZASESFGNCNFZ-JOCHJYFZSA-N	-1	3	474.969	6.349	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(Cl)c2)cc1	ZINC000009334375	526031332	/nfs/dbraw/zinc/03/13/32/526031332.db2.gz	QJZASESFGNCNFZ-QFIPXVFZSA-N	-1	3	474.969	6.349	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000008973638	526252188	/nfs/dbraw/zinc/25/21/88/526252188.db2.gz	OZKQYIPJQWNWJZ-XMMPIXPASA-N	-1	3	486.568	6.650	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3ccc(O)cc3)sc2c1	ZINC000009292119	526252311	/nfs/dbraw/zinc/25/23/11/526252311.db2.gz	ZVHKFCCRDABMLW-MYYSRTQBSA-N	-1	3	498.560	5.417	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@@H](C)O5)[C@@H]3c3cccs3)sc2c1	ZINC000009357748	526252368	/nfs/dbraw/zinc/25/23/68/526252368.db2.gz	CIUBYOLJYKSGOB-PEBXRYMYSA-N	-1	3	488.590	5.773	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)C[C@H](C)O5)[C@@H]3c3cccs3)sc2c1	ZINC000009357745	526252520	/nfs/dbraw/zinc/25/25/20/526252520.db2.gz	CIUBYOLJYKSGOB-FPTDNZKUSA-N	-1	3	488.590	5.773	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc5c(c4)OCCO5)[C@@H]3c3cccs3)sc2c1	ZINC000009190629	526252564	/nfs/dbraw/zinc/25/25/64/526252564.db2.gz	NXQYQCSQDJFHOU-NRFANRHFSA-N	-1	3	490.562	5.220	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000009241687	526252730	/nfs/dbraw/zinc/25/27/30/526252730.db2.gz	LZKQWLNHTKSUFV-JOCHJYFZSA-N	-1	3	458.539	6.104	50	30		JKEAHM
O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	ZINC000009272966	526268646	/nfs/dbraw/zinc/26/86/46/526268646.db2.gz	VTCPTSZDDCYPDE-KXBFYZLASA-N	-1	3	466.748	5.404	50	30		JKEAHM
O=C1C(=O)N(Cc2ccco2)[C@H](c2ccc(Cl)cc2Cl)C1=C([O-])c1cccc([N+](=O)[O-])c1	ZINC000009433815	526269629	/nfs/dbraw/zinc/26/96/29/526269629.db2.gz	CBGQOSRKGUCIQV-LJQANCHMSA-N	-1	3	473.268	5.273	50	30		JKEAHM
O=C(C1=C([O-])C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000009433815	526269632	/nfs/dbraw/zinc/26/96/32/526269632.db2.gz	CBGQOSRKGUCIQV-LJQANCHMSA-N	-1	3	473.268	5.273	50	30		JKEAHM
[O-]c1ccc(I)cc1/C=N/c1ccc2oc(-c3ccc(Cl)cc3)nc2c1	ZINC000015134364	526351126	/nfs/dbraw/zinc/35/11/26/526351126.db2.gz	UNSFCUOFGZQJIV-FOKLQQMPSA-N	-1	3	474.685	6.209	50	30		JKEAHM
[O-]c1ccc2ccccc2c1/C=N/c1cccc2c(/N=C/c3c(O)ccc4ccccc43)cccc12	ZINC000003144486	526354496	/nfs/dbraw/zinc/35/44/96/526354496.db2.gz	QNXXOUOZRZULST-ZXHXELASSA-N	-1	3	466.540	8.059	50	30		JKEAHM
O=C1[N-]/C(=N/N=C/c2ccc(-c3ccccc3Cl)o2)S[C@H]1Cc1ccc(Br)cc1	ZINC000009018959	527040254	/nfs/dbraw/zinc/04/02/54/527040254.db2.gz	BPLOKAZGBKEAAC-OGBFJMLUSA-N	-1	3	488.794	5.527	50	30		JKEAHM
O=C1[N-]/C(=N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)S[C@@H]1Cc1cccc(Cl)c1	ZINC000009363688	527040791	/nfs/dbraw/zinc/04/07/91/527040791.db2.gz	XLNAAHMOQOKEIA-SXPOYZCRSA-N	-1	3	478.788	6.071	50	30		JKEAHM
O=[N+]([O-])c1ccc2c(ccc([O-])c2CN=Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1	ZINC000016671059	527380055	/nfs/dbraw/zinc/38/00/55/527380055.db2.gz	BJTJGAONQQFEQS-QRQIAZFYSA-N	-1	3	461.481	6.024	50	30		JKEAHM
Cn1nc(C(F)(F)F)c(C(=O)[N-]c2ccc(F)cc2F)c1Oc1cccc(C(F)(F)F)c1	ZINC000003134451	527551056	/nfs/dbraw/zinc/55/10/56/527551056.db2.gz	RVZLISJAAYQDRJ-UHFFFAOYSA-N	-1	3	465.300	5.781	50	30		JKEAHM
O=C(C=Cc1ccccc1)C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000009019833	527630441	/nfs/dbraw/zinc/63/04/41/527630441.db2.gz	IQZIAAKJQDOIHW-MDRMPYQZSA-N	-1	3	494.425	5.796	50	30		JKEAHM
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2cccc([N+](=O)[O-])c2)C1=C([O-])C=Cc1ccccc1	ZINC000009019833	527630448	/nfs/dbraw/zinc/63/04/48/527630448.db2.gz	IQZIAAKJQDOIHW-MDRMPYQZSA-N	-1	3	494.425	5.796	50	30		JKEAHM
CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000102368552	534967794	/nfs/dbraw/zinc/96/77/94/534967794.db2.gz	XIKKWVMYCOSGGR-AYWGPLOBSA-N	-1	3	497.378	5.798	50	30		JKEAHM
CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000102368555	534968521	/nfs/dbraw/zinc/96/85/21/534968521.db2.gz	XIKKWVMYCOSGGR-ZHHPLPSFSA-N	-1	3	497.378	5.798	50	30		JKEAHM
CCCOc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102881780	535283860	/nfs/dbraw/zinc/28/38/60/535283860.db2.gz	DEMSPFBIDLRWEZ-MOBKVPTQSA-N	-1	3	490.606	6.081	50	30		JKEAHM
CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nccs2)cc1	ZINC000102679422	535373869	/nfs/dbraw/zinc/37/38/69/535373869.db2.gz	CJNVVCCGQFGFCD-IUOUCKIRSA-N	-1	3	460.555	5.216	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(C)cc3)sc2c1	ZINC000102540228	535442727	/nfs/dbraw/zinc/44/27/27/535442727.db2.gz	RSRGGDIJGWMNDJ-AYWGPLOBSA-N	-1	3	470.550	5.630	50	30		JKEAHM
CCOc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccccc3)sc2c1	ZINC000102883365	535442899	/nfs/dbraw/zinc/44/28/99/535442899.db2.gz	KATXWNYPIZICFX-MOBKVPTQSA-N	-1	3	456.523	5.321	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccccc3F)sc2c1	ZINC000102894854	535828275	/nfs/dbraw/zinc/82/82/75/535828275.db2.gz	MKAWXXQMDSBXHJ-ZHHPLPSFSA-N	-1	3	472.541	5.933	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccc(OC)cc3)sc2c1	ZINC000102727516	535828430	/nfs/dbraw/zinc/82/84/30/535828430.db2.gz	QYAQZMWHVQCOJO-SBXHHDGASA-N	-1	3	484.577	5.802	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccc(OC)cc3)sc2c1	ZINC000102727516	535828432	/nfs/dbraw/zinc/82/84/32/535828432.db2.gz	QYAQZMWHVQCOJO-SBXHHDGASA-N	-1	3	484.577	5.802	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccccc3F)sc2c1	ZINC000102894855	535828869	/nfs/dbraw/zinc/82/88/69/535828869.db2.gz	MKAWXXQMDSBXHJ-AYWGPLOBSA-N	-1	3	472.541	5.933	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000102717016	535828919	/nfs/dbraw/zinc/82/89/19/535828919.db2.gz	UUGPWMBIDLCMEJ-AYWGPLOBSA-N	-1	3	499.548	5.702	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3ccc(C)o3)sc2c1	ZINC000102733682	535829260	/nfs/dbraw/zinc/82/92/60/535829260.db2.gz	TZTSHEYBQPALMK-MOBKVPTQSA-N	-1	3	474.538	5.395	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3ccccc3)sc2c1	ZINC000102705002	535829765	/nfs/dbraw/zinc/82/97/65/535829765.db2.gz	DGOJHERNZXYZHZ-ZHHPLPSFSA-N	-1	3	470.550	5.494	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3ccco3)sc2c1	ZINC000102707378	535829987	/nfs/dbraw/zinc/82/99/87/535829987.db2.gz	OBIXZTVLYSKRFP-JBCNATCCSA-N	-1	3	460.511	5.087	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3cccc(OC)c3)sc2c1	ZINC000102726801	535830165	/nfs/dbraw/zinc/83/01/65/535830165.db2.gz	ITRCLWAUMNRYQU-AYWGPLOBSA-N	-1	3	470.550	5.494	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102713896	535830180	/nfs/dbraw/zinc/83/01/80/535830180.db2.gz	YGSUUHOIPAJADG-NPJIAGGLSA-N	-1	3	482.605	6.608	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102713896	535830186	/nfs/dbraw/zinc/83/01/86/535830186.db2.gz	YGSUUHOIPAJADG-NPJIAGGLSA-N	-1	3	482.605	6.608	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102706155	535830223	/nfs/dbraw/zinc/83/02/23/535830223.db2.gz	VICHHSUICRTZMG-AYWGPLOBSA-N	-1	3	488.634	6.670	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(F)cc4)[C@H]3c3ccccc3)sc2c1	ZINC000102719567	535830232	/nfs/dbraw/zinc/83/02/32/535830232.db2.gz	BJIJTEDDNBIVRB-HOGKFDNTSA-N	-1	3	458.514	5.624	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000102715228	535830479	/nfs/dbraw/zinc/83/04/79/535830479.db2.gz	JXFDJLNHAYPZDI-IUKMQXEJSA-N	-1	3	496.632	6.783	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000102715228	535830484	/nfs/dbraw/zinc/83/04/84/535830484.db2.gz	JXFDJLNHAYPZDI-IUKMQXEJSA-N	-1	3	496.632	6.783	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(OC)cc3)sc2c1	ZINC000102695029	535830541	/nfs/dbraw/zinc/83/05/41/535830541.db2.gz	BQEMCPDHAPKXAT-ZHHPLPSFSA-N	-1	3	470.550	5.494	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000102715748	535830840	/nfs/dbraw/zinc/83/08/40/535830840.db2.gz	WNZUGVUGYNGZHP-ZHHPLPSFSA-N	-1	3	472.566	6.201	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3cccc(O)c3)sc2c1	ZINC000102699198	535831836	/nfs/dbraw/zinc/83/18/36/535831836.db2.gz	AHXYTZCLCSUZJI-YDJIHCHBSA-N	-1	3	462.552	5.252	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000102926909	536569137	/nfs/dbraw/zinc/56/91/37/536569137.db2.gz	PGGIVRPOBUMEIR-MOBKVPTQSA-N	-1	3	490.968	5.893	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2F)cc1	ZINC000102535120	536569207	/nfs/dbraw/zinc/56/92/07/536569207.db2.gz	OVJQPPWGTMXNFL-HOGKFDNTSA-N	-1	3	474.513	5.379	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(F)cc2)c1	ZINC000102711011	537073708	/nfs/dbraw/zinc/07/37/08/537073708.db2.gz	NDUPBTNTJISWGX-MOBKVPTQSA-N	-1	3	474.513	5.379	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C)cc2)c1	ZINC000102706619	537073764	/nfs/dbraw/zinc/07/37/64/537073764.db2.gz	MPRFGIBGIZNQNS-ZHHPLPSFSA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C)cc2)c1	ZINC000102706619	537073767	/nfs/dbraw/zinc/07/37/67/537073767.db2.gz	MPRFGIBGIZNQNS-ZHHPLPSFSA-N	-1	3	470.550	5.548	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccc(OC)c2)c1	ZINC000102718527	537073935	/nfs/dbraw/zinc/07/39/35/537073935.db2.gz	HGSXLKSAALGUIY-AYWGPLOBSA-N	-1	3	486.549	5.248	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2F)c1	ZINC000102546751	537073992	/nfs/dbraw/zinc/07/39/92/537073992.db2.gz	KIKBOOYTUSPPTQ-MOBKVPTQSA-N	-1	3	474.513	5.379	50	30		JKEAHM
COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1[O-]	ZINC000000675966	553749551	/nfs/dbraw/zinc/74/95/51/553749551.db2.gz	MFCJKSXAZUCNCY-CVKSISIWSA-N	-1	3	454.442	5.634	50	30		JKEAHM
CC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3ccc(COc4ccc(F)cc4)o3)sc2C1	ZINC000000695531	553759920	/nfs/dbraw/zinc/75/99/20/553759920.db2.gz	NCLYXTKBNNQXPH-HNNXBMFYSA-N	-1	3	452.551	6.334	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cc5ccccc5o4)[C@@H]3c3cccc(O)c3)sc2c1	ZINC000000703120	553762059	/nfs/dbraw/zinc/76/20/59/553762059.db2.gz	CWGJFNJCDAHRJF-QHCPKHFHSA-N	-1	3	482.517	5.839	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000000703116	553762083	/nfs/dbraw/zinc/76/20/83/553762083.db2.gz	JJKYKZXLAZFIPK-DEOSSOPVSA-N	-1	3	496.544	6.142	50	30		JKEAHM
CCOc1cc(-c2nc3ccccn3c2/N=C/c2ccc(-c3ccc(Cl)cc3)o2)ccc1[O-]	ZINC000000706290	553763754	/nfs/dbraw/zinc/76/37/54/553763754.db2.gz	SSFFGQBLZKDCRH-LQKURTRISA-N	-1	3	457.917	6.770	50	30		JKEAHM
COc1cccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Br)c2)c1	ZINC000000719235	553770851	/nfs/dbraw/zinc/77/08/51/553770851.db2.gz	SXZCXOOZTVLGKD-QFIPXVFZSA-N	-1	3	478.342	5.549	50	30		JKEAHM
N#Cc1c([N-]C(=O)c2cc3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3n2)sc2c1CCCC2	ZINC000000721052	553772805	/nfs/dbraw/zinc/77/28/05/553772805.db2.gz	ZKCOOHULDFZGBA-UHFFFAOYSA-N	-1	3	485.466	5.618	50	30		JKEAHM
COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(OCc3ccccc3)c(OC)c2)ccc1[O-]	ZINC000000823941	553787338	/nfs/dbraw/zinc/78/73/38/553787338.db2.gz	KJRWYYJVEXIXAR-UXHLAJHPSA-N	-1	3	479.536	6.054	50	30		JKEAHM
N#Cc1c([N-]C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)sc2c1CCCCC2	ZINC000000845075	553795453	/nfs/dbraw/zinc/79/54/53/553795453.db2.gz	ZDOFQHDLYXNTEB-UHFFFAOYSA-N	-1	3	481.503	5.869	50	30		JKEAHM
C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cc4nc(-c5ccco5)cc(C(F)(F)F)n4n3)sc2C1	ZINC000000845091	553795461	/nfs/dbraw/zinc/79/54/61/553795461.db2.gz	BLXFUKQLPOACMX-LLVKDONJSA-N	-1	3	471.464	5.318	50	30		JKEAHM
N#Cc1c([N-]C(=O)c2cc(S(=O)(=O)N3CCCCC3)c(Cl)cc2Cl)sc2c1CCCC2	ZINC000000854141	553799380	/nfs/dbraw/zinc/79/93/80/553799380.db2.gz	ZNFMGMCELMZSQQ-UHFFFAOYSA-N	-1	3	498.457	5.232	50	30		JKEAHM
CCOc1cc(Br)c(Br)c(/C=N/c2ccc(OC)c(OC)c2)c1[O-]	ZINC000000868329	553807525	/nfs/dbraw/zinc/80/75/25/553807525.db2.gz	NJUIRLYUTXPIQK-AWQFTUOYSA-N	-1	3	459.134	5.084	50	30		JKEAHM
CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1[O-]	ZINC000000979474	553890438	/nfs/dbraw/zinc/89/04/38/553890438.db2.gz	UDRVBBMMTVUYNQ-UHFFFAOYSA-N	-1	3	457.998	5.760	50	30		JKEAHM
COc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(C)C2=O)cc(Br)c1[O-]	ZINC000001007004	553899117	/nfs/dbraw/zinc/89/91/17/553899117.db2.gz	ZFDGPFAOCUJQBX-RDLACQNYSA-N	-1	3	453.745	5.051	50	30		JKEAHM
COc1cc(Br)c(Br)c(/C=N/c2ccccc2N2CCCC2)c1[O-]	ZINC000001096056	553906599	/nfs/dbraw/zinc/90/65/99/553906599.db2.gz	RLHCOINSQQKMAY-SRZZPIQSSA-N	-1	3	454.162	5.277	50	30		JKEAHM
COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2ccc(C(C)C)cc2)nc1C	ZINC000001152944	553917449	/nfs/dbraw/zinc/91/74/49/553917449.db2.gz	QBYNBOMGDUPGQB-NRFANRHFSA-N	-1	3	490.581	5.453	50	30		JKEAHM
O=C1c2ccccc2C(=O)C1=C1c2ccccc2C([O-])=C1C1c2ccccc2Oc2ccccc21	ZINC000001176244	553926341	/nfs/dbraw/zinc/92/63/41/553926341.db2.gz	LPJCSVKAGSSMIL-MHZLTWQESA-N	-1	3	454.481	6.270	50	30		JKEAHM
COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc(Cl)c1[O-]	ZINC000001434720	553971414	/nfs/dbraw/zinc/97/14/14/553971414.db2.gz	QEZNAQIFPZSAKI-QLXKLKPCSA-N	-1	3	460.961	6.342	50	30		JKEAHM
CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Cl)c1[O-]	ZINC000001438096	553972025	/nfs/dbraw/zinc/97/20/25/553972025.db2.gz	FGSYIARSMXGJTE-QLXKLKPCSA-N	-1	3	460.961	6.424	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(F)cc2)c1	ZINC000001451987	553974169	/nfs/dbraw/zinc/97/41/69/553974169.db2.gz	NMZDJLYHNSSLMU-HSZRJFAPSA-N	-1	3	488.540	5.844	50	30		JKEAHM
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(Cl)c([O-])c(OC)c2)cc1	ZINC000001467874	553976602	/nfs/dbraw/zinc/97/66/02/553976602.db2.gz	TYVWSHUAUOYNKL-AKJBCIBTSA-N	-1	3	476.960	6.042	50	30		JKEAHM
COc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccccc4Cl)nc3c2)c1[O-]	ZINC000001770119	553986480	/nfs/dbraw/zinc/98/64/80/553986480.db2.gz	DKVPDWXMJVDRIU-BHGWPJFGSA-N	-1	3	457.711	6.376	50	30		JKEAHM
Cc1cc(C)nc(N=C([N-]C(=O)Nc2ccc(Cl)c(Cl)c2)Nc2cc(Cl)ccc2C)n1	ZINC000001804887	553991818	/nfs/dbraw/zinc/99/18/18/553991818.db2.gz	QVNXLLIQKDOSHM-UHFFFAOYSA-N	-1	3	477.783	6.283	50	30		JKEAHM
CCOC(=O)c1c(N=Cc2cc(Br)ccc2[O-])sc2c1CCN(Cc1ccccc1)C2	ZINC000001879675	554000136	/nfs/dbraw/zinc/00/01/36/554000136.db2.gz	OBRHGWACSDMRTO-UHFFFAOYSA-N	-1	3	499.430	5.702	50	30		JKEAHM
CCOc1cc(Br)cc(/C=N/c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1[O-]	ZINC000001885619	554000709	/nfs/dbraw/zinc/00/07/09/554000709.db2.gz	PRAKPHWTQVFGFX-LQKURTRISA-N	-1	3	495.417	6.854	50	30		JKEAHM
COc1cc(Br)c([O-])cc1C1=C2C(=O)CC(C)(C)C[C@H]2c2c(ccc3ccccc32)N1	ZINC000002072351	554022721	/nfs/dbraw/zinc/02/27/21/554022721.db2.gz	JWQRGXNAFPTVGB-KRWDZBQOSA-N	-1	3	478.386	6.626	50	30		JKEAHM
COc1cc(Br)c([O-])cc1C1=C2C(=O)CC(C)(C)C[C@@H]2c2c(ccc3ccccc32)N1	ZINC000002072352	554022743	/nfs/dbraw/zinc/02/27/43/554022743.db2.gz	JWQRGXNAFPTVGB-QGZVFWFLSA-N	-1	3	478.386	6.626	50	30		JKEAHM
O=C1/C(=C/c2c([O-])ccc3ccccc32)S/C(=N\Cc2ccccc2)N1Cc1ccccc1	ZINC000002075773	554024595	/nfs/dbraw/zinc/02/45/95/554024595.db2.gz	FNBGJMIISSYRNC-DADJGAKYSA-N	-1	3	450.563	6.218	50	30		JKEAHM
C[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3cc(-c4ccccc4)nc4ccccc43)sc2C1	ZINC000002111006	554049686	/nfs/dbraw/zinc/04/96/86/554049686.db2.gz	HLRHHXZDDDZEED-INIZCTEOSA-N	-1	3	482.634	6.087	50	30		JKEAHM
O=C1c2ccccc2C2=C1[C@@H](c1ccc(Cl)cc1Cl)c1c([n-]n(-c3ccccc3)c1=O)N2	ZINC000002201660	554091291	/nfs/dbraw/zinc/09/12/91/554091291.db2.gz	KZVZRYZYELLRCE-LJQANCHMSA-N	-1	3	460.320	6.050	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000002501873	554229652	/nfs/dbraw/zinc/22/96/52/554229652.db2.gz	IIYJCWYEXFYHGP-OAQYLSRUSA-N	-1	3	477.586	5.326	50	30		JKEAHM
N#Cc1c2c(sc1[N-]C(=O)c1ccc(COc3ccc(Cl)cc3Cl)o1)CCCCC2	ZINC000002746046	554323840	/nfs/dbraw/zinc/32/38/40/554323840.db2.gz	KQBWBFFYXFFLHX-UHFFFAOYSA-N	-1	3	461.370	6.620	50	30		JKEAHM
CC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3cc4nc(C(F)F)cc(C(F)F)n4n3)sc2C1	ZINC000002791117	554346559	/nfs/dbraw/zinc/34/65/59/554346559.db2.gz	CWVQHLSLCOPHCF-JTQLQIEISA-N	-1	3	479.503	5.941	50	30		JKEAHM
N#Cc1c([N-]C(=O)COc2cc(Cl)c(Cl)cc2Cl)oc(-c2ccco2)c1-c1ccco1	ZINC000003305800	554448129	/nfs/dbraw/zinc/44/81/29/554448129.db2.gz	MYWXTXPQFDZMGI-UHFFFAOYSA-N	-1	3	477.687	6.649	50	30		JKEAHM
N#Cc1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nc2c(c1-c1ccc([O-])cc1)CCCC2	ZINC000006190405	554516584	/nfs/dbraw/zinc/51/65/84/554516584.db2.gz	TTYJNBFVGFWKKC-UHFFFAOYSA-N	-1	3	476.601	6.847	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(O)cc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000006406305	554533566	/nfs/dbraw/zinc/53/35/66/554533566.db2.gz	ZLZBKDGPYNICKA-NRFANRHFSA-N	-1	3	464.315	5.246	50	30		JKEAHM
COc1ccc(OC)c([C@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2ccccc2)c1	ZINC000006458952	554541923	/nfs/dbraw/zinc/54/19/23/554541923.db2.gz	APGCNXPMWFMFLP-QFIPXVFZSA-N	-1	3	494.341	5.249	50	30		JKEAHM
COc1ccc(OC)c([C@@H]2C(=C([O-])c3ccc(Br)cc3)C(=O)C(=O)N2c2ccccc2)c1	ZINC000006458946	554541944	/nfs/dbraw/zinc/54/19/44/554541944.db2.gz	APGCNXPMWFMFLP-JOCHJYFZSA-N	-1	3	494.341	5.249	50	30		JKEAHM
CCCCCCCCCCCCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(Cl)cc2)N1	ZINC000008427151	554582488	/nfs/dbraw/zinc/58/24/88/554582488.db2.gz	KTCZZULIUIWVIC-DEOSSOPVSA-N	-1	3	489.022	7.884	50	30		JKEAHM
CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(Cl)c1[O-]	ZINC000008430582	554583636	/nfs/dbraw/zinc/58/36/36/554583636.db2.gz	NOTYDSSHAUZOLV-SHACYNPGSA-N	-1	3	466.990	6.485	50	30		JKEAHM
COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1[O-]	ZINC000008439242	554590673	/nfs/dbraw/zinc/59/06/73/554590673.db2.gz	AQJAWEXVAYIXEC-OGLMXYFKSA-N	-1	3	485.544	5.611	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2)c1	ZINC000008740586	554642565	/nfs/dbraw/zinc/64/25/65/554642565.db2.gz	VOWDUASOWLPYOQ-QFIPXVFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2)c1	ZINC000008740586	554642568	/nfs/dbraw/zinc/64/25/68/554642568.db2.gz	VOWDUASOWLPYOQ-QFIPXVFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2cccs2)c1	ZINC000008740637	554642942	/nfs/dbraw/zinc/64/29/42/554642942.db2.gz	ARPJIACEAYIHQN-FQEVSTJZSA-N	-1	3	462.552	5.458	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@@H]3c3cccs3)sc2c1	ZINC000008742697	554645359	/nfs/dbraw/zinc/64/53/59/554645359.db2.gz	MHDIDOMGHSRVSZ-NRFANRHFSA-N	-1	3	476.579	5.712	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000008818177	554701728	/nfs/dbraw/zinc/70/17/28/554701728.db2.gz	PUFFZWAPUPJHNH-QFIPXVFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000008818177	554701731	/nfs/dbraw/zinc/70/17/31/554701731.db2.gz	PUFFZWAPUPJHNH-QFIPXVFZSA-N	-1	3	456.523	5.396	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C)cc2)o1	ZINC000008836173	554735930	/nfs/dbraw/zinc/73/59/30/554735930.db2.gz	RIOWELFMPGHPPT-QFIPXVFZSA-N	-1	3	458.539	5.906	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2)cc1	ZINC000008836590	554736672	/nfs/dbraw/zinc/73/66/72/554736672.db2.gz	TXCOHVSLNPLFOX-QHCPKHFHSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2)cc1	ZINC000008836590	554736674	/nfs/dbraw/zinc/73/66/74/554736674.db2.gz	TXCOHVSLNPLFOX-QHCPKHFHSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2F)cc1	ZINC000008836668	554736828	/nfs/dbraw/zinc/73/68/28/554736828.db2.gz	MWMXXCHTVPBKQG-HSZRJFAPSA-N	-1	3	488.540	5.844	50	30		JKEAHM
COc1ccccc1[C@H]1C(=C([O-])c2ccc(C)cc2)C(=O)C(=O)N1c1nc2ccc(C)cc2s1	ZINC000008837635	554738676	/nfs/dbraw/zinc/73/86/76/554738676.db2.gz	VKGJHQPADBSWDO-QHCPKHFHSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1ccccc1[C@H]1C(C(=O)c2ccc(C)cc2)=C([O-])C(=O)N1c1nc2ccc(C)cc2s1	ZINC000008837635	554738677	/nfs/dbraw/zinc/73/86/77/554738677.db2.gz	VKGJHQPADBSWDO-QHCPKHFHSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(F)cc2)cc1	ZINC000008838181	554739624	/nfs/dbraw/zinc/73/96/24/554739624.db2.gz	IADOPKNRMHBKQE-QHCPKHFHSA-N	-1	3	488.540	5.844	50	30		JKEAHM
CCCCCCOc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccccc2F)c1	ZINC000008846617	554745073	/nfs/dbraw/zinc/74/50/73/554745073.db2.gz	SNFXQKQDIARSAL-SANMLTNESA-N	-1	3	473.544	6.568	50	30		JKEAHM
CCOc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Br)c2)cc1	ZINC000008846462	554745103	/nfs/dbraw/zinc/74/51/03/554745103.db2.gz	FXDNKLHIETWYKC-QHCPKHFHSA-N	-1	3	492.369	5.939	50	30		JKEAHM
COc1ccc(CN=Nc2nc([N-]c3ccc([N+](=O)[O-])cc3)nc(Nc3ccc(C)c(C)c3)n2)cc1	ZINC000008872105	554768386	/nfs/dbraw/zinc/76/83/86/554768386.db2.gz	CFWWUSZYGLZRMM-CVKSISIWSA-N	-1	3	484.520	5.338	50	30		JKEAHM
Cc1ccc(Nc2nc(N=NCc3cccc(F)c3)nc([N-]c3ccc([N+](=O)[O-])cc3)n2)cc1C	ZINC000008872870	554769741	/nfs/dbraw/zinc/76/97/41/554769741.db2.gz	DKKWNSGWGCYCCV-VULFUBBASA-N	-1	3	472.484	5.469	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(C)cc2)o1	ZINC000008893395	554782193	/nfs/dbraw/zinc/78/21/93/554782193.db2.gz	RIOWELFMPGHPPT-JOCHJYFZSA-N	-1	3	458.539	5.906	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000008894272	554783332	/nfs/dbraw/zinc/78/33/32/554783332.db2.gz	FBELEYZOCDXYRV-QHCPKHFHSA-N	-1	3	486.593	6.532	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)cc4)[C@H]3c3ccccc3OC)sc2c1	ZINC000008894442	554783769	/nfs/dbraw/zinc/78/37/69/554783769.db2.gz	DZRMXNVBJZATIV-XMMPIXPASA-N	-1	3	484.577	5.959	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)cc4)[C@H]3c3ccccc3OC)sc2c1	ZINC000008894442	554783772	/nfs/dbraw/zinc/78/37/72/554783772.db2.gz	DZRMXNVBJZATIV-XMMPIXPASA-N	-1	3	484.577	5.959	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(C(C)C)cc3)sc2c1	ZINC000008894606	554783915	/nfs/dbraw/zinc/78/39/15/554783915.db2.gz	ACTIUFIHJKSJOL-HSZRJFAPSA-N	-1	3	488.634	6.827	50	30		JKEAHM
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000008905259	554799682	/nfs/dbraw/zinc/79/96/82/554799682.db2.gz	SHEDXMLWTIIAAY-NRFANRHFSA-N	-1	3	462.571	5.622	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000008905490	554799946	/nfs/dbraw/zinc/79/99/46/554799946.db2.gz	MJGCDWXPMQZVPS-OAQYLSRUSA-N	-1	3	471.494	5.296	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(Cl)cc2)c1	ZINC000008913926	554807082	/nfs/dbraw/zinc/80/70/82/554807082.db2.gz	HNHCGLXMULZQGU-JOCHJYFZSA-N	-1	3	490.968	6.050	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(Cl)cc3)sc2c1	ZINC000008934738	554829275	/nfs/dbraw/zinc/82/92/75/554829275.db2.gz	BFQBZFGCDUZVPN-JOCHJYFZSA-N	-1	3	474.969	6.295	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C)cc2)cc1C	ZINC000008934749	554829418	/nfs/dbraw/zinc/82/94/18/554829418.db2.gz	VHKKDYMZMAFGDI-VWLOTQADSA-N	-1	3	498.604	6.321	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C)cc2)cc1C	ZINC000008934749	554829421	/nfs/dbraw/zinc/82/94/21/554829421.db2.gz	VHKKDYMZMAFGDI-VWLOTQADSA-N	-1	3	498.604	6.321	50	30		JKEAHM
CCOc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000008973603	554844445	/nfs/dbraw/zinc/84/44/45/554844445.db2.gz	ZFGQOIMSYQACQY-HSZRJFAPSA-N	-1	3	470.550	5.786	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000008973538	554844494	/nfs/dbraw/zinc/84/44/94/554844494.db2.gz	JUWZEPRLVQCKTK-JOCHJYFZSA-N	-1	3	488.634	6.747	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000008973538	554844495	/nfs/dbraw/zinc/84/44/95/554844495.db2.gz	JUWZEPRLVQCKTK-JOCHJYFZSA-N	-1	3	488.634	6.747	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000008973540	554844604	/nfs/dbraw/zinc/84/46/04/554844604.db2.gz	JUWZEPRLVQCKTK-QFIPXVFZSA-N	-1	3	488.634	6.747	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4cccs4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1	ZINC000008973540	554844606	/nfs/dbraw/zinc/84/46/06/554844606.db2.gz	JUWZEPRLVQCKTK-QFIPXVFZSA-N	-1	3	488.634	6.747	50	30		JKEAHM
CCCOc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000008973569	554844628	/nfs/dbraw/zinc/84/46/28/554844628.db2.gz	NPXGQEUTJWVZRM-JOCHJYFZSA-N	-1	3	490.606	6.238	50	30		JKEAHM
Cc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000008973637	554844907	/nfs/dbraw/zinc/84/49/07/554844907.db2.gz	ZTBLALUYCGOVLS-QFIPXVFZSA-N	-1	3	458.514	5.835	50	30		JKEAHM
CC(C)(C)c1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000008973711	554844917	/nfs/dbraw/zinc/84/49/17/554844917.db2.gz	HDPRXBMBSQFTGR-HSZRJFAPSA-N	-1	3	486.568	6.516	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccccc3)nc2c(C)c1	ZINC000008973975	554845204	/nfs/dbraw/zinc/84/52/04/554845204.db2.gz	JRINLAKTPXCFNM-JOCHJYFZSA-N	-1	3	474.969	6.349	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C(=O)C(=C([O-])c4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1	ZINC000008973909	554845243	/nfs/dbraw/zinc/84/52/43/554845243.db2.gz	UBMRRNGGSJKULJ-RUZDIDTESA-N	-1	3	496.632	6.994	50	30		JKEAHM
Cc1cc2sc(N3C(=O)C([O-])=C(C(=O)c4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)nc2c(C)c1	ZINC000008973909	554845244	/nfs/dbraw/zinc/84/52/44/554845244.db2.gz	UBMRRNGGSJKULJ-RUZDIDTESA-N	-1	3	496.632	6.994	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000008973928	554845266	/nfs/dbraw/zinc/84/52/66/554845266.db2.gz	PWOAJHBQRWCYDB-SANMLTNESA-N	-1	3	496.632	7.128	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000008973928	554845270	/nfs/dbraw/zinc/84/52/70/554845270.db2.gz	PWOAJHBQRWCYDB-SANMLTNESA-N	-1	3	496.632	7.128	50	30		JKEAHM
Cc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000008973905	554845322	/nfs/dbraw/zinc/84/53/22/554845322.db2.gz	UVBIAGYAVCEFCZ-HSZRJFAPSA-N	-1	3	454.551	6.004	50	30		JKEAHM
Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000008973905	554845324	/nfs/dbraw/zinc/84/53/24/554845324.db2.gz	UVBIAGYAVCEFCZ-HSZRJFAPSA-N	-1	3	454.551	6.004	50	30		JKEAHM
Cc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000008973979	554845468	/nfs/dbraw/zinc/84/54/68/554845468.db2.gz	VZEIVQZJIMKBAC-QHCPKHFHSA-N	-1	3	488.996	6.658	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000008983840	554847945	/nfs/dbraw/zinc/84/79/45/554847945.db2.gz	NQZLLVLZZNARJB-VWLOTQADSA-N	-1	3	482.605	6.819	50	30		JKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000008983840	554847946	/nfs/dbraw/zinc/84/79/46/554847946.db2.gz	NQZLLVLZZNARJB-VWLOTQADSA-N	-1	3	482.605	6.819	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000008987393	554849861	/nfs/dbraw/zinc/84/98/61/554849861.db2.gz	QNZRRTAROZKUMM-HSZRJFAPSA-N	-1	3	470.550	5.705	50	30		JKEAHM
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000008987393	554849864	/nfs/dbraw/zinc/84/98/64/554849864.db2.gz	QNZRRTAROZKUMM-HSZRJFAPSA-N	-1	3	470.550	5.705	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000008990033	554851753	/nfs/dbraw/zinc/85/17/53/554851753.db2.gz	PIZDZTMZHQOZFM-JOCHJYFZSA-N	-1	3	451.444	6.105	50	30		JKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc4ccccc4c3)[C@@H]2c2ccc(C(C)C)cc2)no1	ZINC000008996575	554857258	/nfs/dbraw/zinc/85/72/58/554857258.db2.gz	RQGVTPOLPTYQPW-VWLOTQADSA-N	-1	3	452.510	6.043	50	30		JKEAHM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccc(C(C)C)cc2)no1	ZINC000008996575	554857261	/nfs/dbraw/zinc/85/72/61/554857261.db2.gz	RQGVTPOLPTYQPW-VWLOTQADSA-N	-1	3	452.510	6.043	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(F)cc2)c1	ZINC000008996550	554857295	/nfs/dbraw/zinc/85/72/95/554857295.db2.gz	AIZNHPHJRYDSIJ-JOCHJYFZSA-N	-1	3	474.513	5.535	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4cccs4)[C@H]3c3ccc(OC)cc3)sc2c1	ZINC000008996806	554857915	/nfs/dbraw/zinc/85/79/15/554857915.db2.gz	VFZIJSSUYIFZTD-OAQYLSRUSA-N	-1	3	476.579	5.712	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C)cc2)cc1C	ZINC000008996798	554857921	/nfs/dbraw/zinc/85/79/21/554857921.db2.gz	GWXJDGOSJCUEMI-XMMPIXPASA-N	-1	3	484.577	6.013	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc(C)cc2)cc1C	ZINC000008996798	554857923	/nfs/dbraw/zinc/85/79/23/554857923.db2.gz	GWXJDGOSJCUEMI-XMMPIXPASA-N	-1	3	484.577	6.013	50	30		JKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009007726	554861190	/nfs/dbraw/zinc/86/11/90/554861190.db2.gz	HMRKEINIJIHADT-JOCHJYFZSA-N	-1	3	485.521	5.604	50	30		JKEAHM
Cc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009007815	554861267	/nfs/dbraw/zinc/86/12/67/554861267.db2.gz	FZJCMAKKBVKECJ-OAQYLSRUSA-N	-1	3	460.580	6.066	50	30		JKEAHM
Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009007815	554861268	/nfs/dbraw/zinc/86/12/68/554861268.db2.gz	FZJCMAKKBVKECJ-OAQYLSRUSA-N	-1	3	460.580	6.066	50	30		JKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000009270339	555044508	/nfs/dbraw/zinc/04/45/08/555044508.db2.gz	DHQGGZGGIPPLNX-QFIPXVFZSA-N	-1	3	474.538	5.606	50	30		JKEAHM
O=C1C(=O)N(c2ccc(I)cc2)[C@@H](c2ccccc2)C1=C([O-])c1ccccc1	ZINC000009380196	555142231	/nfs/dbraw/zinc/14/22/31/555142231.db2.gz	VWUNQCAJDZGZLG-FQEVSTJZSA-N	-1	3	481.289	5.074	50	30		JKEAHM
CC(C)(C)c1cc(C=[NH+][N-]c2cccc3cccnc32)c([O-])c(C=[NH+][N-]c2cccc3cccnc32)c1	ZINC000009426233	555191225	/nfs/dbraw/zinc/19/12/25/555191225.db2.gz	KSSJHKCNFDSAIJ-XNSDDFDOSA-N	-1	3	488.595	6.678	50	30		JKEAHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(/N=C/c3cc(Br)ccc3O)cc2)cc1	ZINC000009635853	555343219	/nfs/dbraw/zinc/34/32/19/555343219.db2.gz	QZLQTTLXWIUSDP-OEAKJJBVSA-N	-1	3	475.364	5.105	50	30		JKEAHM
[O-]c1ccccc1-c1cc(-c2ccccc2)nc(N=NCc2c(F)c(F)c(F)c(F)c2F)n1	ZINC000013305361	555374684	/nfs/dbraw/zinc/37/46/84/555374684.db2.gz	ZEOUAURJEJLRIC-VPUKRXIYSA-N	-1	3	456.374	5.658	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(OC)cc4)[C@H]3c3ccc(C)cc3)sc2c1	ZINC000013548559	555490607	/nfs/dbraw/zinc/49/06/07/555490607.db2.gz	IUQYTBUFMJYWCO-XMMPIXPASA-N	-1	3	484.577	5.959	50	30		JKEAHM
CCc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(OC)cc4)[C@H]3c3ccc(C)cc3)sc2c1	ZINC000013548559	555490609	/nfs/dbraw/zinc/49/06/09/555490609.db2.gz	IUQYTBUFMJYWCO-XMMPIXPASA-N	-1	3	484.577	5.959	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1OC	ZINC000013551983	555492288	/nfs/dbraw/zinc/49/22/88/555492288.db2.gz	AHNKSIULKDVBCV-HSZRJFAPSA-N	-1	3	476.529	5.081	50	30		JKEAHM
COc1cccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2OC)c1	ZINC000013571162	555509608	/nfs/dbraw/zinc/50/96/08/555509608.db2.gz	LGZYJYAESPCYRK-QHCPKHFHSA-N	-1	3	486.549	5.405	50	30		JKEAHM
COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C	ZINC000013571297	555509678	/nfs/dbraw/zinc/50/96/78/555509678.db2.gz	NTXJAPQXWBXOPQ-HXUWFJFHSA-N	-1	3	490.581	5.319	50	30		JKEAHM
COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Cl)c1[O-]	ZINC000019880998	555526267	/nfs/dbraw/zinc/52/62/67/555526267.db2.gz	KUQWWJYTNKBYGY-OSPHWJPCSA-N	-1	3	481.976	5.367	50	30		JKEAHM
N#Cc1c([N-]C(=O)c2cc(-c3cccs3)nc3onc(-c4ccccc4)c32)sc2c1CCC2	ZINC000013641212	555547552	/nfs/dbraw/zinc/54/75/52/555547552.db2.gz	GQMPWATWISUSFY-UHFFFAOYSA-N	-1	3	468.563	6.292	50	30		JKEAHM
[O-][C@@]1(C(F)(F)F)CC(c2ccc(F)cc2)=NN1c1nc(-c2cccs2)cc(C(F)(F)F)n1	ZINC000013643045	555548398	/nfs/dbraw/zinc/54/83/98/555548398.db2.gz	ZDEJHWIURVMLMQ-QGZVFWFLSA-N	-1	3	476.377	5.228	50	30		JKEAHM
C[C@H]1CCCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cc4cc(Br)ccc4o2)O3)C1	ZINC000013681775	555574912	/nfs/dbraw/zinc/57/49/12/555574912.db2.gz	QFVXMVUGSDWAHF-YTWQSXOVSA-N	-1	3	468.347	5.749	50	30		JKEAHM
CCCCCCOc1ccc(/C(CCCC/C(=N\O)c2ccc(OCCCCCC)cc2)=N/[O-])cc1	ZINC000013765157	555612846	/nfs/dbraw/zinc/61/28/46/555612846.db2.gz	ITWDOTQLTOQBMZ-JWTBXLROSA-N	-1	3	496.692	8.222	50	30		JKEAHM
CCCOc1ccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1	ZINC000013843177	555632421	/nfs/dbraw/zinc/63/24/21/555632421.db2.gz	OJEQGIGTKVESKL-MRXNPFEDSA-N	-1	3	455.649	5.686	50	30		JKEAHM
CCc1ccc([C@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2nc(C)c(C(C)=O)s2)cc1	ZINC000016729571	556155275	/nfs/dbraw/zinc/15/52/75/556155275.db2.gz	IPEITWCYDYHIBV-NRFANRHFSA-N	-1	3	476.554	5.008	50	30		JKEAHM
CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4cc(Br)ccc4[O-])c3c2C1	ZINC000025580579	556224961	/nfs/dbraw/zinc/22/49/61/556224961.db2.gz	NDZUQLYIOYSSII-DFLSZHIOSA-N	-1	3	473.440	6.147	50	30		JKEAHM
COc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2Cl)cc1	ZINC000017161562	556229732	/nfs/dbraw/zinc/22/97/32/556229732.db2.gz	SSFSRPUTMMMCQF-HXUWFJFHSA-N	-1	3	458.297	5.374	50	30		JKEAHM
CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000027024039	556271951	/nfs/dbraw/zinc/27/19/51/556271951.db2.gz	OTBRCKFOURTDJC-QHCPKHFHSA-N	-1	3	475.566	5.831	50	30		JKEAHM
[O-]c1ccc(Cc2ccccc2Cl)cc1/C=N/c1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1	ZINC000027500876	556281729	/nfs/dbraw/zinc/28/17/29/556281729.db2.gz	CTNHWYMQXKXUPI-OKCVXOCRSA-N	-1	3	472.375	7.584	50	30		JKEAHM
C/C(=N\[N-]c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cc2c(ccc3ccccc32)oc1=O	ZINC000027520377	556283296	/nfs/dbraw/zinc/28/32/96/556283296.db2.gz	LFRSKVLFOWMIRB-VULFUBBASA-N	-1	3	456.483	5.814	50	30		JKEAHM
Cc1cc(C)nc(N=C([N-]C(=O)Nc2cccc(Cl)c2)NCCc2c[nH]c3ccc(Cl)cc23)n1	ZINC000018096727	556286990	/nfs/dbraw/zinc/28/69/90/556286990.db2.gz	FHAXCFWSUDVFPR-UHFFFAOYSA-N	-1	3	496.402	5.714	50	30		JKEAHM
O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3cccs3)C1)[C@H]2c1cc(Cl)ccc1O	ZINC000018196421	556303189	/nfs/dbraw/zinc/30/31/89/556303189.db2.gz	MZKXCIBMNINZIV-RCDICMHDSA-N	-1	3	489.984	5.544	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3cc(Cl)ccc3Cl)c(=O)c1[C@@H]2c1ccc(O)cc1	ZINC000018196388	556303201	/nfs/dbraw/zinc/30/32/01/556303201.db2.gz	JFMAYEJPUAIUQJ-LJQANCHMSA-N	-1	3	470.356	5.379	50	30		JKEAHM
Cc1ccsc1[C@@H]1c2c([n-]n(-c3ccccc3)c2=O)NC2=C1C(=O)C[C@@H](c1cccs1)C2	ZINC000018196877	556303426	/nfs/dbraw/zinc/30/34/26/556303426.db2.gz	OJLSAUYXQQKHHI-BTYIYWSLSA-N	-1	3	459.596	5.555	50	30		JKEAHM
Cc1nn(-c2ccccc2)c2c1[C@H](c1cc(Cl)ccc1[O-])C1=C(C[C@H](c3cccs3)CC1=O)N2	ZINC000018197735	556304345	/nfs/dbraw/zinc/30/43/45/556304345.db2.gz	NLQRSUGGKOONTL-LMKMVOKYSA-N	-1	3	488.012	6.559	50	30		JKEAHM
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[n-]n(-c4ccccc4)c(=O)c2[C@@H]3c2cccs2)cc1OC	ZINC000018198571	556305648	/nfs/dbraw/zinc/30/56/48/556305648.db2.gz	LIOJHLYHSAJKFK-SSOJOUAXSA-N	-1	3	499.592	5.203	50	30		JKEAHM
O=C1[N-]/C(=N\N=C\c2ccccc2C(F)(F)F)S[C@@H]1Cc1ccc(SC(F)F)cc1	ZINC000018209117	556310217	/nfs/dbraw/zinc/31/02/17/556310217.db2.gz	ONGRCSTYJSDDJW-HARKQDAYSA-N	-1	3	459.465	5.184	50	30		JKEAHM
Cc1cc(C)nc(N=C([N-]C(=O)Nc2ccc(Cl)c(Cl)c2)Nc2cccc(Cl)c2)n1	ZINC000018456308	556321441	/nfs/dbraw/zinc/32/14/41/556321441.db2.gz	IFUAJDJYLSHWPV-UHFFFAOYSA-N	-1	3	463.756	6.166	50	30		JKEAHM
Cc1ccc2c(Cl)c(C(=O)[N-]c3nc(-c4ccc(Br)o4)ns3)sc2c1	ZINC000028405290	556332913	/nfs/dbraw/zinc/33/29/13/556332913.db2.gz	UHRPUTQDXMQRIU-UHFFFAOYSA-N	-1	3	454.758	6.373	50	30		JKEAHM
COc1cc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1[O-]	ZINC000019638652	556359062	/nfs/dbraw/zinc/35/90/62/556359062.db2.gz	KZYMTJLJRLRFOP-NRFANRHFSA-N	-1	3	459.970	5.144	50	30		JKEAHM
CN(C)c1ccc([C@@H]2C(=C([O-])c3cccc4cc5ccccc5cc43)C(=O)C(=O)N2c2ccccc2)cc1	ZINC000008702158	569593621	/nfs/dbraw/zinc/59/36/21/569593621.db2.gz	APIWUTFROFZSSW-SSEXGKCCSA-N	-1	3	498.582	6.842	50	30		JKEAHM
CN(C)c1ccc([C@@H]2C(C(=O)c3cccc4cc5ccccc5cc43)=C([O-])C(=O)N2c2ccccc2)cc1	ZINC000008702158	569593623	/nfs/dbraw/zinc/59/36/23/569593623.db2.gz	APIWUTFROFZSSW-SSEXGKCCSA-N	-1	3	498.582	6.842	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(Cl)c(C)c2)c(OC)c1	ZINC000008715750	569596388	/nfs/dbraw/zinc/59/63/88/569596388.db2.gz	NFNMOGXDIJEOQE-HSZRJFAPSA-N	-1	3	463.917	5.449	50	30		JKEAHM
COc1ccc(OC)c([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(Cl)c(C)c2)c1	ZINC000008715760	569596409	/nfs/dbraw/zinc/59/64/09/569596409.db2.gz	GARCEIWWOYNPAD-HSZRJFAPSA-N	-1	3	463.917	5.449	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3cccc(OC)c3)C(=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000008737867	569602069	/nfs/dbraw/zinc/60/20/69/569602069.db2.gz	SMZYYGDHESHPSJ-HSZRJFAPSA-N	-1	3	486.549	5.405	50	30		JKEAHM
C=CCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2)nc1	ZINC000065063446	569656722	/nfs/dbraw/zinc/65/67/22/569656722.db2.gz	SPSZCHWXVBTWHT-UHFFFAOYSA-N	-1	3	491.613	5.638	50	30		JKEAHM
C=CCNC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1	ZINC000065074564	569657143	/nfs/dbraw/zinc/65/71/43/569657143.db2.gz	USNQGTAPBGUKQX-UHFFFAOYSA-N	-1	3	491.613	5.638	50	30		JKEAHM
CC1(C)CC(=O)C(C(c2cc(Br)ccc2[O-])C2C(=O)CC(C)(C)CC2=O)C(=O)C1	ZINC000100003700	569751143	/nfs/dbraw/zinc/75/11/43/569751143.db2.gz	XWVVLNASOXHMDH-LJQANCHMSA-N	-1	3	463.368	5.014	50	30		JKEAHM
O=C(NC([N-]c1ccc(C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1Cl	ZINC000097949628	569746920	/nfs/dbraw/zinc/74/69/20/569746920.db2.gz	RQWQCHPIDKYMEF-UHFFFAOYSA-N	-1	3	499.160	6.675	50	30		JKEAHM
CCCCCCCCOc1ccc(/C=C2/SC(=S)N([N-]C(=O)c3cccnc3)C2=O)cc1	ZINC000097971149	569748161	/nfs/dbraw/zinc/74/81/61/569748161.db2.gz	ITJDABDOSJZTNE-LTGZKZEYSA-N	-1	3	469.632	5.367	50	30		JKEAHM
O=C(Nc1cc(Cl)cc(Cl)c1)C(=N[N-]c1cccc(C(F)(F)F)c1)C(=O)C(F)(F)F	ZINC000100405155	569759295	/nfs/dbraw/zinc/75/92/95/569759295.db2.gz	BOPSPIOZABUPGT-QDTIIGTASA-N	-1	3	472.172	5.550	50	30		JKEAHM
CCOc1ccc(N2C(=O)C([O-])=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000100241714	569756231	/nfs/dbraw/zinc/75/62/31/569756231.db2.gz	XDOHBPJQIXVXFE-OBGMXFBLSA-N	-1	3	470.481	5.176	50	30		JKEAHM
CCOc1ccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000100241714	569756232	/nfs/dbraw/zinc/75/62/32/569756232.db2.gz	XDOHBPJQIXVXFE-OBGMXFBLSA-N	-1	3	470.481	5.176	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cc(Br)ccc1[O-]	ZINC000100415011	569759661	/nfs/dbraw/zinc/75/96/61/569759661.db2.gz	GFKORFVSFDTMHO-LJQANCHMSA-N	-1	3	450.332	5.092	50	30		JKEAHM
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cc(Cl)c([O-])c(OC)c1	ZINC000100552815	569764322	/nfs/dbraw/zinc/76/43/22/569764322.db2.gz	MHNRPFLKBAEXEC-OSPHWJPCSA-N	-1	3	481.976	5.369	50	30		JKEAHM
CC1(C)CC2=C(Sc3ccccc3N2)C([O-])=C1C(=O)C(=O)Nc1ccc(Cl)cc1Cl	ZINC000100721863	569767747	/nfs/dbraw/zinc/76/77/47/569767747.db2.gz	FDKIIKCCWVVPBC-KRWDZBQOSA-N	-1	3	461.370	5.546	50	30		JKEAHM
CC1(C)CC2=C(Sc3ccccc3N2)C([O-])=C1C(=O)C(=O)Nc1ccc(Cl)cc1Cl	ZINC000100721865	569767758	/nfs/dbraw/zinc/76/77/58/569767758.db2.gz	FDKIIKCCWVVPBC-QGZVFWFLSA-N	-1	3	461.370	5.546	50	30		JKEAHM
CC1(C)CC2=C(Sc3ccccc3N2)C([O-])=C1C(=O)C(=O)Nc1cc(Cl)ccc1Cl	ZINC000100721852	569767766	/nfs/dbraw/zinc/76/77/66/569767766.db2.gz	HWTOLSWCHKVEEN-QGZVFWFLSA-N	-1	3	461.370	5.546	50	30		JKEAHM
CCCCCCCCOc1ccc(/C=C2\SC(=S)N([N-]C(=O)c3ccccc3OC)C2=O)cc1	ZINC000100835135	569771900	/nfs/dbraw/zinc/77/19/00/569771900.db2.gz	AMXRTINSDXLCFM-NKFKGCMQSA-N	-1	3	498.670	5.981	50	30		JKEAHM
C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000101287231	569789345	/nfs/dbraw/zinc/78/93/45/569789345.db2.gz	SJJVKVHUQQCWPE-NPJIAGGLSA-N	-1	3	468.553	5.570	50	30		JKEAHM
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000101287231	569789346	/nfs/dbraw/zinc/78/93/46/569789346.db2.gz	SJJVKVHUQQCWPE-NPJIAGGLSA-N	-1	3	468.553	5.570	50	30		JKEAHM
C=CCOc1ccc([C@H]2C(=C([O-])c3ccc4ccccc4c3)C(=O)C(=O)N2c2cc(C)on2)cc1	ZINC000101294389	569790126	/nfs/dbraw/zinc/79/01/26/569790126.db2.gz	VRJGKBBZTNVHSS-IUKMQXEJSA-N	-1	3	466.493	5.327	50	30		JKEAHM
CC(=O)Nc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000101503815	569801058	/nfs/dbraw/zinc/80/10/58/569801058.db2.gz	LPRWLSDBUZYOJF-MOBKVPTQSA-N	-1	3	491.341	5.034	50	30		JKEAHM
COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccccc3[O-])N(C3CCCCC3)C1=O)S2	ZINC000102152944	569810286	/nfs/dbraw/zinc/81/02/86/569810286.db2.gz	KVONKFIXAGJJDO-QDJRPKQISA-N	-1	3	467.616	5.708	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@@H]2c1cccc(Oc2ccccc2)c1	ZINC000102449821	569813219	/nfs/dbraw/zinc/81/32/19/569813219.db2.gz	QUTCSFQQCFJICS-RUZDIDTESA-N	-1	3	477.564	6.159	50	30		JKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccc(Cl)cc1Cl	ZINC000102449861	569813309	/nfs/dbraw/zinc/81/33/09/569813309.db2.gz	AJYQKMLHNZIJQG-LJQANCHMSA-N	-1	3	454.357	5.673	50	30		JKEAHM
CCN(CC)CCN1C(=O)C(=O)C(=C([O-])c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(C)cc1	ZINC000102733333	569818459	/nfs/dbraw/zinc/81/84/59/569818459.db2.gz	GKOBKAUOSFDZRT-CJJGVWJISA-N	-1	3	478.633	5.102	50	30		JKEAHM
Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(Cl)cc4)[C@H]3c3ccccc3)sc2c1	ZINC000102857222	569824616	/nfs/dbraw/zinc/82/46/16/569824616.db2.gz	JSUFXKRREUKEIE-JBCNATCCSA-N	-1	3	460.942	5.884	50	30		JKEAHM
COc1ccccc1[C@@H]1C(=C([O-])c2ccc(F)cc2)C(=O)C(=O)N1c1nc2c(cc(C)cc2C)s1	ZINC000102862707	569825252	/nfs/dbraw/zinc/82/52/52/569825252.db2.gz	QFBUHSNGSWUJBC-COUQNMRISA-N	-1	3	488.540	5.687	50	30		JKEAHM
O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	ZINC000102928202	569827079	/nfs/dbraw/zinc/82/70/79/569827079.db2.gz	FEZNWETVHAQXRK-VCJOYTQFSA-N	-1	3	466.748	5.248	50	30		JKEAHM
COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2cccc(OC)c2)cc1	ZINC000102932144	569828866	/nfs/dbraw/zinc/82/88/66/569828866.db2.gz	YCURDDZOYMNJEO-ZHHPLPSFSA-N	-1	3	486.549	5.248	50	30		JKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000102933079	569829071	/nfs/dbraw/zinc/82/90/71/569829071.db2.gz	MQWGOHHSOUUFPB-HOGKFDNTSA-N	-1	3	474.513	5.379	50	30		JKEAHM
CCCCCCCC(=O)N1CCN(c2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2)CC1	ZINC000102992317	569830818	/nfs/dbraw/zinc/83/08/18/569830818.db2.gz	IDUGGRAIEOKYFP-UHFFFAOYSA-N	-1	3	485.694	5.422	50	30		JKEAHM
[O-]c1c(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)cccc1-c1ccccc1	ZINC000103760671	569837821	/nfs/dbraw/zinc/83/78/21/569837821.db2.gz	AYCAUVBBUJHBCK-WKULSOCRSA-N	-1	3	459.332	7.925	50	30		JKEAHM
Cc1ccc2nc(-c3ccc(/N=C/c4c5c(cc(C(C)(C)C)c4[O-])oc4c5CCCC4)cc3)sc2c1	ZINC000103767742	569837976	/nfs/dbraw/zinc/83/79/76/569837976.db2.gz	WHEMLWRIARLKEJ-VTNSRFBWSA-N	-1	3	494.660	8.650	50	30		JKEAHM
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)C(=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1	ZINC000169617378	569868290	/nfs/dbraw/zinc/86/82/90/569868290.db2.gz	MLPGAKGZEUFMJF-FELJWZHWSA-N	-1	3	468.510	5.323	50	30		JKEAHM
N#Cc1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccc(Cl)cc1)[C@@H]3c1ccccc1)CCCC2	ZINC000238900210	570047398	/nfs/dbraw/zinc/04/73/98/570047398.db2.gz	HZEMEAFFKBPSFH-DNVJHFABSA-N	-1	3	489.984	5.203	50	30		JKEAHM
COc1cc(Br)c(Br)c(C=Nc2ccc(Br)cc2)c1[O-]	ZINC000252590590	570084036	/nfs/dbraw/zinc/08/40/36/570084036.db2.gz	ATMJMKDZXWFASW-UHFFFAOYSA-N	-1	3	463.951	5.439	50	30		JKEAHM
CCCN1C(=O)/C(=C\c2cc(Cl)c([O-])c(OCC)c2)SC1=Nc1ccc(OCC)cc1	ZINC000252598768	570084785	/nfs/dbraw/zinc/08/47/85/570084785.db2.gz	DDOLZHUCQOUFHO-SKYIDQJDSA-N	-1	3	460.983	5.857	50	30		JKEAHM
Cc1ccc(N=C2S/C(=C\c3cc([O-])ccc3Br)C(=O)N2c2ccc(C)cc2)cc1	ZINC000252613762	570086404	/nfs/dbraw/zinc/08/64/04/570086404.db2.gz	JDVOENNSCPAFDC-WJEPFGLZSA-N	-1	3	479.399	6.580	50	30		JKEAHM
COc1cc(Br)cc(C=Nc2ccc(-c3nc4cc(C(C)(C)C)ccc4o3)cc2)c1[O-]	ZINC000252622949	570087680	/nfs/dbraw/zinc/08/76/80/570087680.db2.gz	OGKATDMYTKHECJ-UHFFFAOYSA-N	-1	3	479.374	7.020	50	30		JKEAHM
CCOc1cc(/C=C2\SC(=Nc3ccccc3)N(CC)C2=O)cc(I)c1[O-]	ZINC000252624230	570087960	/nfs/dbraw/zinc/08/79/60/570087960.db2.gz	PJQSCFLLRCZOPU-OYBLBNEUSA-N	-1	3	494.354	5.019	50	30		JKEAHM
CC(=CN=Nc1nc([N-]c2ccc([N+](=O)[O-])cc2)nc(Nc2ccc(C)c(C)c2)n1)Cc1ccccc1	ZINC000252627438	570088650	/nfs/dbraw/zinc/08/86/50/570088650.db2.gz	RUAJYGLXLIIOSS-SOGBGRQFSA-N	-1	3	494.559	6.385	50	30		JKEAHM
CCCCN1C(=O)/C(=C/c2cc(Br)c([O-])c(OCC)c2)SC1=Nc1ccccc1	ZINC000252628330	570088830	/nfs/dbraw/zinc/08/88/30/570088830.db2.gz	SNWOJSBWXDRBHZ-NSMWAFFQSA-N	-1	3	475.408	5.958	50	30		JKEAHM
CCOc1cc(Br)c(Br)c(C=Nc2ccc(F)c(Cl)c2)c1[O-]	ZINC000252629942	570089129	/nfs/dbraw/zinc/08/91/29/570089129.db2.gz	UQRWPMNZIFEOOF-UHFFFAOYSA-N	-1	3	451.517	5.859	50	30		JKEAHM
CCOc1cc(Br)cc(C=Nc2ccc3oc(-c4ccc(OC)cc4)nc3c2)c1[O-]	ZINC000252630670	570089364	/nfs/dbraw/zinc/08/93/64/570089364.db2.gz	VCWXHDMQUXBKSQ-UHFFFAOYSA-N	-1	3	467.319	6.121	50	30		JKEAHM
CCCCCCCCN(C(=O)CON=Cc1cc(Br)ccc1[O-])c1ccccc1	ZINC000252631842	570089415	/nfs/dbraw/zinc/08/94/15/570089415.db2.gz	VMZCDIIGQNLJQZ-UHFFFAOYSA-N	-1	3	461.400	5.899	50	30		JKEAHM
Cc1cccc(N=C2S/C(=C\c3cc([O-])ccc3Br)C(=O)N2c2cccc(C)c2)c1	ZINC000252633170	570089514	/nfs/dbraw/zinc/08/95/14/570089514.db2.gz	WAWFLPIWEILARW-WJEPFGLZSA-N	-1	3	479.399	6.580	50	30		JKEAHM
O=C(CSc1nc2ccc(N=Cc3c([O-])ccc4ccccc43)cc2s1)NCCc1ccccc1	ZINC000252633326	570089614	/nfs/dbraw/zinc/08/96/14/570089614.db2.gz	WCINAEHPZFLLKS-UHFFFAOYSA-N	-1	3	497.645	6.357	50	30		JKEAHM
COc1cc(C=Nc2ccc([O-])cc2)cc(Br)c1OCc1cccc2ccccc21	ZINC000252639292	570090168	/nfs/dbraw/zinc/09/01/68/570090168.db2.gz	YIZPVZIAIFUQPD-UHFFFAOYSA-N	-1	3	462.343	6.646	50	30		JKEAHM