smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c(Br)c(OC)c1OC	ZINC000000622500	551502919	/nfs/dbraw/zinc/50/29/19/551502919.db2.gz	UNIMAABQROONKK-UHFFFAOYSA-N	-1	0	523.365	3.318	50	0		KGAARM
CC1=NN(c2ccc(Br)cc2)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O	ZINC000000663144	551516569	/nfs/dbraw/zinc/51/65/69/551516569.db2.gz	WCDSQHSCRUCJJY-YBEGLDIGSA-N	-1	0	501.724	3.453	50	0		KGAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C)cc3Br)cc2)nc(OC)n1	ZINC000000673706	551520131	/nfs/dbraw/zinc/52/01/31/551520131.db2.gz	IXIRLJJESOBRQK-UHFFFAOYSA-N	-1	0	537.392	3.383	50	0		KGAARM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)cc21	ZINC000000686352	132223728	/nfs/dbraw/zinc/22/37/28/132223728.db2.gz	PZMDOSRYUHVUNU-UHFFFAOYSA-N	-1	0	538.395	3.132	50	0		KGAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3I)cc2)ncn1	ZINC000000705496	551531349	/nfs/dbraw/zinc/53/13/49/551531349.db2.gz	NIYQGBNSWMKUQI-UHFFFAOYSA-N	-1	0	510.313	3.143	50	0		KGAARM
COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2I)cc1	ZINC000000705498	551531318	/nfs/dbraw/zinc/53/13/18/551531318.db2.gz	XEBCGQOZBMOMFG-UHFFFAOYSA-N	-1	0	510.313	3.143	50	0		KGAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(I)c3)cc2)nc(OC)n1	ZINC000000710360	551533119	/nfs/dbraw/zinc/53/31/19/551533119.db2.gz	VFCZILZQHMZXKZ-UHFFFAOYSA-N	-1	0	540.339	3.152	50	0		KGAARM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(I)c3)cc2)nn1	ZINC000000710361	551533129	/nfs/dbraw/zinc/53/31/29/551533129.db2.gz	SCYCWYNFRPPNAA-UHFFFAOYSA-N	-1	0	510.313	3.143	50	0		KGAARM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)NC(=O)c4ccccc4Cl)CC3)cc21	ZINC000000717294	551534775	/nfs/dbraw/zinc/53/47/75/551534775.db2.gz	YZVIRISNWADVOU-UHFFFAOYSA-N	-1	0	516.982	3.349	50	0		KGAARM
CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)Nc4ccccc4C(F)(F)F)CC3)nc21	ZINC000000719140	132223813	/nfs/dbraw/zinc/22/38/13/132223813.db2.gz	ZGGMATOKRDGWJQ-UHFFFAOYSA-N	-1	0	506.510	3.047	50	0		KGAARM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)NC(=O)c4ccccc4Br)CC3)cc21	ZINC000000719854	551536457	/nfs/dbraw/zinc/53/64/57/551536457.db2.gz	KHDBEWKALZMIDG-UHFFFAOYSA-N	-1	0	561.433	3.458	50	0		KGAARM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)NC(=O)c4cccc(Br)c4)CC3)cc21	ZINC000000720108	551536919	/nfs/dbraw/zinc/53/69/19/551536919.db2.gz	YBCDQFUECPOAPX-UHFFFAOYSA-N	-1	0	561.433	3.458	50	0		KGAARM
CC1=NN(c2ccc(I)cc2)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2cccc(Cl)c2)c1=O	ZINC000000837806	551547154	/nfs/dbraw/zinc/54/71/54/551547154.db2.gz	HMNYYINVCMPABE-MHWRWJLKSA-N	-1	0	548.724	3.296	50	0		KGAARM
COc1ccc(N2C(=O)C(Cl)=C(Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)C2=O)cc1	ZINC000000936521	551587021	/nfs/dbraw/zinc/58/70/21/551587021.db2.gz	XVZUJTGZFIIGLR-UHFFFAOYSA-N	-1	0	513.963	3.339	50	0		KGAARM
O=C([O-])CN1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O	ZINC000000938091	551587402	/nfs/dbraw/zinc/58/74/02/551587402.db2.gz	FUKRIOFCUOCJQT-UHFFFAOYSA-N	-1	0	520.753	3.417	50	0		KGAARM
NC(=O)CC[C@@H](C(=O)[O-])N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O	ZINC000000938104	551587396	/nfs/dbraw/zinc/58/73/96/551587396.db2.gz	PIKVWMZLWUYYED-VKHMYHEASA-N	-1	0	591.832	3.051	50	0		KGAARM
NC(=O)CC[C@H](C(=O)[O-])N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O	ZINC000000938105	551587380	/nfs/dbraw/zinc/58/73/80/551587380.db2.gz	PIKVWMZLWUYYED-GSVOUGTGSA-N	-1	0	591.832	3.051	50	0		KGAARM
C[C@H](O)[C@@H](C(=O)[O-])N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O	ZINC000000938108	551587353	/nfs/dbraw/zinc/58/73/53/551587353.db2.gz	QJRWCGHERZIFPB-KOWFMYAASA-N	-1	0	564.806	3.167	50	0		KGAARM
C[C@@H](O)[C@@H](C(=O)[O-])N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O	ZINC000000938109	551587386	/nfs/dbraw/zinc/58/73/86/551587386.db2.gz	QJRWCGHERZIFPB-BUWDMPIASA-N	-1	0	564.806	3.167	50	0		KGAARM
C[C@H](O)[C@H](C(=O)[O-])N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O	ZINC000000938110	551587397	/nfs/dbraw/zinc/58/73/97/551587397.db2.gz	QJRWCGHERZIFPB-WDGYUPOISA-N	-1	0	564.806	3.167	50	0		KGAARM
C[C@@H](O)[C@H](C(=O)[O-])N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O	ZINC000000938111	551587366	/nfs/dbraw/zinc/58/73/66/551587366.db2.gz	QJRWCGHERZIFPB-DUTTYOFASA-N	-1	0	564.806	3.167	50	0		KGAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3I)cc2)nc(OC)n1	ZINC000000945110	551588406	/nfs/dbraw/zinc/58/84/06/551588406.db2.gz	ZTHCXWBKGCGJGY-UHFFFAOYSA-N	-1	0	540.339	3.152	50	0		KGAARM
CCC(=O)NC(Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)nn2)cc1)(C(F)(F)F)C(F)(F)F	ZINC000000978357	551591450	/nfs/dbraw/zinc/59/14/50/551591450.db2.gz	YUVAMFAVOIXPRV-UHFFFAOYSA-N	-1	0	501.409	3.045	50	0		KGAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1	ZINC000000980318	551591826	/nfs/dbraw/zinc/59/18/26/551591826.db2.gz	KGXQNAXGBKZPSP-UHFFFAOYSA-N	-1	0	521.592	3.348	50	0		KGAARM
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1OC(C)=O	ZINC000000995431	551594251	/nfs/dbraw/zinc/59/42/51/551594251.db2.gz	OTLDNLFSJJBOJP-SXGWCWSVSA-N	-1	0	503.305	3.021	50	0		KGAARM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)Nc4ccc5c(c4)OCCO5)CC3)cc21	ZINC000001051161	551600022	/nfs/dbraw/zinc/60/00/22/551600022.db2.gz	OFVZOFAYQHOFPV-UHFFFAOYSA-N	-1	0	512.563	3.149	50	0		KGAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(OC)c(Br)c3)cc2)nc(OC)n1	ZINC000001087147	551606652	/nfs/dbraw/zinc/60/66/52/551606652.db2.gz	BWSJDVPVLUEDBD-UHFFFAOYSA-N	-1	0	523.365	3.318	50	0		KGAARM
CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)Nc4cc(Cl)cc(Cl)c4)CC3)nc21	ZINC000001127081	132223720	/nfs/dbraw/zinc/22/37/20/132223720.db2.gz	MJPZHDIECTWQAK-UHFFFAOYSA-N	-1	0	507.403	3.335	50	0		KGAARM
CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)Nc4ccc(C)cc4Br)CC3)nc21	ZINC000001142509	551617641	/nfs/dbraw/zinc/61/76/41/551617641.db2.gz	QOXMPRQRUNXTAX-UHFFFAOYSA-N	-1	0	531.436	3.100	50	0		KGAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c1	ZINC000001145740	551618170	/nfs/dbraw/zinc/61/81/70/551618170.db2.gz	GAGPJWWGWJNQKX-UHFFFAOYSA-N	-1	0	506.558	3.077	50	0		KGAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(OC)c(OC)c3)cc2)c1	ZINC000001146496	551618513	/nfs/dbraw/zinc/61/85/13/551618513.db2.gz	LUVOTUPYTCQVAD-UHFFFAOYSA-N	-1	0	508.574	3.323	50	0		KGAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(OC)c(I)c3)cc2)nc(OC)n1	ZINC000001185170	551621143	/nfs/dbraw/zinc/62/11/43/551621143.db2.gz	QBQAPRIRZJEUJL-UHFFFAOYSA-N	-1	0	570.365	3.160	50	0		KGAARM
CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)Nc4cccc(C(F)(F)F)c4)CC3)nc21	ZINC000001440909	551672954	/nfs/dbraw/zinc/67/29/54/551672954.db2.gz	USYVBPXJSBDUTJ-UHFFFAOYSA-N	-1	0	506.510	3.047	50	0		KGAARM
CCOC(=O)NC(Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)nn2)cc1)(C(F)(F)F)C(F)(F)F	ZINC000001644570	551687612	/nfs/dbraw/zinc/68/76/12/551687612.db2.gz	WARAZUWQEANOJS-UHFFFAOYSA-N	-1	0	517.408	3.265	50	0		KGAARM
CCCC(=O)NC(Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)nn2)cc1)(C(F)(F)F)C(F)(F)F	ZINC000001645398	551687622	/nfs/dbraw/zinc/68/76/22/551687622.db2.gz	SZSRZXZCOJFVEG-UHFFFAOYSA-N	-1	0	515.436	3.435	50	0		KGAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3c(C)onc3-c3ccccc3)cc2)nc(OC)n1	ZINC000001740345	551691533	/nfs/dbraw/zinc/69/15/33/551691533.db2.gz	YVMNQRDYXOQEMY-UHFFFAOYSA-N	-1	0	554.610	3.385	50	0		KGAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)no1	ZINC000001747071	551692201	/nfs/dbraw/zinc/69/22/01/551692201.db2.gz	XFWZYTNMIOZJRQ-UHFFFAOYSA-N	-1	0	504.590	3.211	50	0		KGAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000001748696	551692448	/nfs/dbraw/zinc/69/24/48/551692448.db2.gz	CDNPKWYVUROQNB-UHFFFAOYSA-N	-1	0	506.631	3.371	50	0		KGAARM
CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1	ZINC000001748729	551692702	/nfs/dbraw/zinc/69/27/02/551692702.db2.gz	OZMNZKNUACKGCC-UHFFFAOYSA-N	-1	0	517.633	3.177	50	0		KGAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)cc2)ncn1	ZINC000001774948	551697317	/nfs/dbraw/zinc/69/73/17/551697317.db2.gz	MDXKUQPJZVHCDV-UHFFFAOYSA-N	-1	0	545.643	3.103	50	0		KGAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccccc3I)cc2)nc(OC)n1	ZINC000001838567	551713041	/nfs/dbraw/zinc/71/30/41/551713041.db2.gz	YZRQZTKLZOBQOM-UHFFFAOYSA-N	-1	0	599.432	3.026	50	0		KGAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4cccc(OC(C)C)c4)n3N)cc2)nc(C)n1	ZINC000001885575	551725460	/nfs/dbraw/zinc/72/54/60/551725460.db2.gz	QVCOBAMLCHXYFJ-UHFFFAOYSA-N	-1	0	568.685	3.385	50	0		KGAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(Br)cc3)cc2)nc(OC)n1	ZINC000001898897	551729567	/nfs/dbraw/zinc/72/95/67/551729567.db2.gz	TZDHMPWNUDOSHN-UHFFFAOYSA-N	-1	0	552.432	3.184	50	0		KGAARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)cc2)s1	ZINC000002026542	551736632	/nfs/dbraw/zinc/73/66/32/551736632.db2.gz	VTWROZIAUPVUKI-UHFFFAOYSA-N	-1	0	523.662	3.184	50	0		KGAARM
COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCC(=O)[O-])cc4)c(=O)n32)c1	ZINC000002049476	551737456	/nfs/dbraw/zinc/73/74/56/551737456.db2.gz	YXDVIYWBWCGEDY-KLKBWYFJSA-N	-1	0	555.612	3.346	50	0		KGAARM
COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCC(=O)[O-])cc4)c(=O)n32)c1	ZINC000002049478	551737502	/nfs/dbraw/zinc/73/75/02/551737502.db2.gz	YXDVIYWBWCGEDY-LKWZWFHSSA-N	-1	0	555.612	3.346	50	0		KGAARM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCC(=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1	ZINC000002049484	551737476	/nfs/dbraw/zinc/73/74/76/551737476.db2.gz	SOPNUILPUGLVST-FXZFNGGHSA-N	-1	0	540.597	3.399	50	0		KGAARM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCC(=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1	ZINC000002049486	551737458	/nfs/dbraw/zinc/73/74/58/551737458.db2.gz	SOPNUILPUGLVST-NVINZXKXSA-N	-1	0	540.597	3.399	50	0		KGAARM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@H]1c1cccc(OC)c1	ZINC000002049512	551737693	/nfs/dbraw/zinc/73/76/93/551737693.db2.gz	PTTZTCUDOYALKP-NKLXDWDJSA-N	-1	0	570.623	3.408	50	0		KGAARM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@@H]1c1cccc(OC)c1	ZINC000002049514	551737723	/nfs/dbraw/zinc/73/77/23/551737723.db2.gz	PTTZTCUDOYALKP-FQCPBGGASA-N	-1	0	570.623	3.408	50	0		KGAARM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCC(=O)[O-])c3)c(=O)n2[C@H]1c1cccc(OC)c1	ZINC000002049520	551737669	/nfs/dbraw/zinc/73/76/69/551737669.db2.gz	YREQMNFPAXIHOT-NKLXDWDJSA-N	-1	0	570.623	3.408	50	0		KGAARM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCC(=O)[O-])c3)c(=O)n2[C@@H]1c1cccc(OC)c1	ZINC000002049522	551737727	/nfs/dbraw/zinc/73/77/27/551737727.db2.gz	YREQMNFPAXIHOT-FQCPBGGASA-N	-1	0	570.623	3.408	50	0		KGAARM
COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(OCC(=O)[O-])c4)c(=O)n32)c1	ZINC000002049544	551737706	/nfs/dbraw/zinc/73/77/06/551737706.db2.gz	RYHPEDXHDIYYDB-KLKBWYFJSA-N	-1	0	555.612	3.346	50	0		KGAARM
COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(OCC(=O)[O-])c4)c(=O)n32)c1	ZINC000002049546	551737704	/nfs/dbraw/zinc/73/77/04/551737704.db2.gz	RYHPEDXHDIYYDB-LKWZWFHSSA-N	-1	0	555.612	3.346	50	0		KGAARM
O=C(COc1ccc2c(c1)occ(-c1ccc3c(c1)OCCO3)c2=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000002097513	551761842	/nfs/dbraw/zinc/76/18/42/551761842.db2.gz	ILIIIYWMESFEKC-JOCHJYFZSA-N	-1	0	501.491	3.422	50	0	biogenic	KGAARM
Cc1oc2cc3oc(=O)c(CC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])c(C)c3cc2c1-c1ccccc1	ZINC000002119531	551770060	/nfs/dbraw/zinc/77/00/60/551770060.db2.gz	GJUFXIITYGUKQK-FQEVSTJZSA-N	-1	0	505.527	3.383	50	0	biogenic	KGAARM
Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])occ3-c1ccc(F)cc1	ZINC000002121914	551770875	/nfs/dbraw/zinc/77/08/75/551770875.db2.gz	YKOMHAPUJQSANY-FQEVSTJZSA-N	-1	0	509.490	3.214	50	0	biogenic	KGAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O	ZINC000002128165	551772226	/nfs/dbraw/zinc/77/22/26/551772226.db2.gz	YQDJACQAEGKKKO-UIOOFZCWSA-N	-1	0	535.560	3.248	50	0	biogenic	KGAARM
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	ZINC000002148800	551777155	/nfs/dbraw/zinc/77/71/55/551777155.db2.gz	KDJXMXZCOBPFGB-CBYYHRJHSA-N	-1	0	560.584	3.384	50	0		KGAARM
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	ZINC000002148809	551777194	/nfs/dbraw/zinc/77/71/94/551777194.db2.gz	KDJXMXZCOBPFGB-PNZYDNNZSA-N	-1	0	560.584	3.384	50	0		KGAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nnc4c5ccccc5[nH]c4n3)cc2)n1	ZINC000002151788	551778810	/nfs/dbraw/zinc/77/88/10/551778810.db2.gz	IEDVTODLWHFRPR-UHFFFAOYSA-N	-1	0	520.600	3.445	50	0		KGAARM
Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])occ3-c1ccccc1	ZINC000002157003	551779926	/nfs/dbraw/zinc/77/99/26/551779926.db2.gz	FVVJDJCKYCXHRL-NRFANRHFSA-N	-1	0	505.527	3.465	50	0	biogenic	KGAARM
O=C(NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccccc1I	ZINC000002180696	551784925	/nfs/dbraw/zinc/78/49/25/551784925.db2.gz	BREUYESDCKICOX-UHFFFAOYSA-N	-1	0	539.380	3.009	50	0		KGAARM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000002188534	551788546	/nfs/dbraw/zinc/78/85/46/551788546.db2.gz	BLLNFNZBROFLQF-PLQXQRLBSA-N	-1	0	558.568	3.485	50	0		KGAARM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000002188536	551788600	/nfs/dbraw/zinc/78/86/00/551788600.db2.gz	BLLNFNZBROFLQF-VVNKCDPRSA-N	-1	0	558.568	3.485	50	0		KGAARM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1	ZINC000002189669	551789152	/nfs/dbraw/zinc/78/91/52/551789152.db2.gz	CXGODKZKOKXDJR-GLSAMTQTSA-N	-1	0	536.606	3.049	50	0		KGAARM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1	ZINC000002189671	551789160	/nfs/dbraw/zinc/78/91/60/551789160.db2.gz	CXGODKZKOKXDJR-WDONWYDGSA-N	-1	0	536.606	3.049	50	0		KGAARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(OC)c(OC)c3)cc2)s1	ZINC000002196033	551791955	/nfs/dbraw/zinc/79/19/55/551791955.db2.gz	DTVIKMRDPQVQIP-UHFFFAOYSA-N	-1	0	507.619	3.045	50	0		KGAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3c(C)onc3-c3ccccc3)cc2)ncn1	ZINC000002226799	551797108	/nfs/dbraw/zinc/79/71/08/551797108.db2.gz	DHYGSNRABMNEHR-UHFFFAOYSA-N	-1	0	524.584	3.376	50	0		KGAARM
COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)c2c(C)onc2-c2ccccc2)cc1	ZINC000002240603	551799099	/nfs/dbraw/zinc/79/90/99/551799099.db2.gz	DAXTZGNWEOTGTK-UHFFFAOYSA-N	-1	0	524.584	3.376	50	0		KGAARM
CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)nnc1-c1ccco1	ZINC000002265103	551804528	/nfs/dbraw/zinc/80/45/28/551804528.db2.gz	SWROCIOCHRZWIJ-UHFFFAOYSA-N	-1	0	513.605	3.496	50	0		KGAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3)cc2)nc(OC)n1	ZINC000002266192	552085470	/nfs/dbraw/zinc/08/54/70/552085470.db2.gz	UQXRLMSBUSWCIJ-UHFFFAOYSA-N	-1	0	507.981	3.075	50	0		KGAARM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)NC(=O)Cc4ccc(Cl)cc4)CC3)cc21	ZINC000002316316	552092743	/nfs/dbraw/zinc/09/27/43/552092743.db2.gz	YVZDPMOQPJVICD-UHFFFAOYSA-N	-1	0	531.009	3.278	50	0		KGAARM
CCCOc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)[N-]c3nccnc3OC)cc2)cc1	ZINC000002316704	552092927	/nfs/dbraw/zinc/09/29/27/552092927.db2.gz	CFDMBPRPLBYSIE-UHFFFAOYSA-N	-1	0	501.590	3.202	50	0		KGAARM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)NC(=O)c4ccc(Cl)cc4)CC3)cc21	ZINC000002316708	552092995	/nfs/dbraw/zinc/09/29/95/552092995.db2.gz	JZWDIAFQXZPNRG-UHFFFAOYSA-N	-1	0	516.982	3.349	50	0		KGAARM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)Nc4ccc(C(=O)OC)cc4)CC3)cc21	ZINC000002325979	552095204	/nfs/dbraw/zinc/09/52/04/552095204.db2.gz	ZFCYVPKEGGPPFR-UHFFFAOYSA-N	-1	0	512.563	3.164	50	0		KGAARM
COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(Br)cc2)cc1	ZINC000002338380	552097589	/nfs/dbraw/zinc/09/75/89/552097589.db2.gz	AVNAOUZUIYSOHK-UHFFFAOYSA-N	-1	0	522.406	3.175	50	0		KGAARM
O=C1[N-]C(=O)[C@]2(Cc3c(=O)n4ccccc4nc3N3CCc4ccccc4[C@H]32)C(=O)N1Cc1ccccc1Cl	ZINC000002346402	552098823	/nfs/dbraw/zinc/09/88/23/552098823.db2.gz	XVPAMUMQXVETCO-MUAVYFROSA-N	-1	0	539.979	3.273	50	0		KGAARM
Cc1c(NC(=O)CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c(=O)n(-c2ccccc2)n1C	ZINC000002346967	552099200	/nfs/dbraw/zinc/09/92/00/552099200.db2.gz	MSZUWCHCQAGUOS-UHFFFAOYSA-N	-1	0	540.627	3.099	50	0		KGAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(Br)cc3)cc2)ncn1	ZINC000002347988	552099441	/nfs/dbraw/zinc/09/94/41/552099441.db2.gz	JVQBXBLYEMYDIT-UHFFFAOYSA-N	-1	0	522.406	3.175	50	0		KGAARM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)Nc4cc(OC)ccc4OC)CC3)cc21	ZINC000002356734	552101242	/nfs/dbraw/zinc/10/12/42/552101242.db2.gz	OQAXJEKJDSMWFQ-UHFFFAOYSA-N	-1	0	514.579	3.395	50	0		KGAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(C)cc3)cc2)nc(OC)n1	ZINC000002362589	552102960	/nfs/dbraw/zinc/10/29/60/552102960.db2.gz	MDWWERIZDYAKIV-MDWZMJQESA-N	-1	0	513.601	3.129	50	0		KGAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4cccs4)n3C)cc2)nc(C)n1	ZINC000002389158	552108589	/nfs/dbraw/zinc/10/85/89/552108589.db2.gz	XYGNEVIPYUIHKV-UHFFFAOYSA-N	-1	0	515.646	3.482	50	0		KGAARM
CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)nnc1-c1ccncc1	ZINC000002391472	552109121	/nfs/dbraw/zinc/10/91/21/552109121.db2.gz	ZLERZRKOSVRHAN-UHFFFAOYSA-N	-1	0	524.632	3.298	50	0		KGAARM
COc1ccc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)n2C)cc1	ZINC000002453443	552124164	/nfs/dbraw/zinc/12/41/64/552124164.db2.gz	PYROSNGMURUKHU-UHFFFAOYSA-N	-1	0	516.630	3.479	50	0		KGAARM
COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1OC	ZINC000002461607	1059020229	/nfs/dbraw/zinc/02/02/29/1059020229.db2.gz	HONNFAIPFOKLDJ-ONNFQVAWSA-N	-1	0	504.615	3.488	50	0		KGAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)n1	ZINC000002469527	552124609	/nfs/dbraw/zinc/12/46/09/552124609.db2.gz	RMTAOSVNVUUHDT-UHFFFAOYSA-N	-1	0	529.644	3.321	50	0		KGAARM
COc1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3OC)c2)c(OC)c1	ZINC000002634299	552140520	/nfs/dbraw/zinc/14/05/20/552140520.db2.gz	UIEWRLKDJSFDCA-UHFFFAOYSA-N	-1	0	500.529	3.309	50	0		KGAARM
CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(Br)c2)cc1	ZINC000002645362	552144603	/nfs/dbraw/zinc/14/46/03/552144603.db2.gz	XAXLACSTHXOUNS-UHFFFAOYSA-N	-1	0	520.427	3.047	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(SCC(=O)NC(=O)NCc3ccco3)nc2c1	ZINC000002652331	552147170	/nfs/dbraw/zinc/14/71/70/552147170.db2.gz	PQQXAEGJAREYHI-UHFFFAOYSA-N	-1	0	516.557	3.348	50	0		KGAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000002654501	552148423	/nfs/dbraw/zinc/14/84/23/552148423.db2.gz	VNDUKEIKFFYWMM-UHFFFAOYSA-N	-1	0	506.631	3.371	50	0		KGAARM
Nn1c(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)nnc1-c1ccccc1Cl	ZINC000002654690	552148392	/nfs/dbraw/zinc/14/83/92/552148392.db2.gz	ZDVFKOXZYATFKP-UHFFFAOYSA-N	-1	0	522.037	3.300	50	0		KGAARM
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1	ZINC000002654913	552148587	/nfs/dbraw/zinc/14/85/87/552148587.db2.gz	SDGXLNGBIYFBMF-UHFFFAOYSA-N	-1	0	501.011	3.100	50	0		KGAARM
COc1ccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000002655528	552148843	/nfs/dbraw/zinc/14/88/43/552148843.db2.gz	LINKJLVUDMRNFP-UHFFFAOYSA-N	-1	0	515.375	3.072	50	0		KGAARM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)cc1	ZINC000002659766	552150006	/nfs/dbraw/zinc/15/00/06/552150006.db2.gz	MRBYYQAVYUZLBL-UHFFFAOYSA-N	-1	0	501.634	3.162	50	0		KGAARM
COC(=O)Cn1c(=O)c2cc(C(=O)c3cc(Cl)cc(Cl)c3[O-])cnc2n(Cc2ccccc2)c1=O	ZINC000002661528	552150556	/nfs/dbraw/zinc/15/05/56/552150556.db2.gz	TWWROYJJNHFQRQ-UHFFFAOYSA-N	-1	0	514.321	3.023	50	0		KGAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)n1	ZINC000002668880	552152266	/nfs/dbraw/zinc/15/22/66/552152266.db2.gz	DIYJCCGJIDTHQL-UHFFFAOYSA-N	-1	0	515.617	3.013	50	0		KGAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)cc2)n1	ZINC000002709329	552160748	/nfs/dbraw/zinc/16/07/48/552160748.db2.gz	IIALEVXMZDPDKB-UHFFFAOYSA-N	-1	0	529.644	3.403	50	0		KGAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)cc2)n1	ZINC000002709414	552160697	/nfs/dbraw/zinc/16/06/97/552160697.db2.gz	PEFPZYQZFWKZLR-UHFFFAOYSA-N	-1	0	529.644	3.259	50	0		KGAARM
CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)cc1	ZINC000002709500	552160714	/nfs/dbraw/zinc/16/07/14/552160714.db2.gz	TYJUGSFZMAHLJT-UHFFFAOYSA-N	-1	0	517.633	3.259	50	0		KGAARM
COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3nc4ccc(C)cc4s3)[n-]c2=O)cc1OC	ZINC000002712632	552161010	/nfs/dbraw/zinc/16/10/10/552161010.db2.gz	AADPDTYUUNUZOT-UHFFFAOYSA-N	-1	0	526.600	3.271	50	0		KGAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4c(nc5ccccn5c4=O)s3)cc2)nc(C)n1	ZINC000002722856	552165655	/nfs/dbraw/zinc/16/56/55/552165655.db2.gz	YFJDBADPDZAJDI-UHFFFAOYSA-N	-1	0	506.569	3.369	50	0		KGAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cn4cc(Br)cn4)o3)cc2)nc(OC)n1	ZINC000002743135	552172246	/nfs/dbraw/zinc/17/22/46/552172246.db2.gz	IACLDFIWCFKGSS-UHFFFAOYSA-N	-1	0	563.390	3.147	50	0		KGAARM
Cc1nccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@]3(C)CC3(Br)Br)cc2)n1	ZINC000002772809	552185453	/nfs/dbraw/zinc/18/54/53/552185453.db2.gz	WOKBMIFHQIUSND-OAHLLOKOSA-N	-1	0	504.204	3.420	50	0		KGAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cnn4c3nc(C3CC3)cc4C(F)F)cc2)ncn1	ZINC000002781732	552188484	/nfs/dbraw/zinc/18/84/84/552188484.db2.gz	PQJGJVODUHTEOF-UHFFFAOYSA-N	-1	0	515.502	3.396	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)Cn4nc(C(F)(F)F)c(Cl)c4C4CC4)[C@@H]3SC2)s1	ZINC000002786830	552190686	/nfs/dbraw/zinc/19/06/86/552190686.db2.gz	DBTGUDUHWMRTEM-SJCJKPOMSA-N	-1	0	595.050	3.124	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)Cn4nc(C(F)(F)F)c(Cl)c4C4CC4)[C@H]3SC2)s1	ZINC000002786831	552190683	/nfs/dbraw/zinc/19/06/83/552190683.db2.gz	DBTGUDUHWMRTEM-YVEFUNNKSA-N	-1	0	595.050	3.124	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cn4nc(C(F)(F)F)c(Cl)c4C4CC4)[C@@H]3SC2)s1	ZINC000002786832	552190737	/nfs/dbraw/zinc/19/07/37/552190737.db2.gz	DBTGUDUHWMRTEM-PXAZEXFGSA-N	-1	0	595.050	3.124	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cn4nc(C(F)(F)F)c(Cl)c4C4CC4)[C@H]3SC2)s1	ZINC000002786833	552190720	/nfs/dbraw/zinc/19/07/20/552190720.db2.gz	DBTGUDUHWMRTEM-SJKOYZFVSA-N	-1	0	595.050	3.124	50	0		KGAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Br)c3)c(=O)c1=2)Nc1ccc(Br)cc1	ZINC000002787069	552190707	/nfs/dbraw/zinc/19/07/07/552190707.db2.gz	GSNKBBNTKMHZDV-HZPDHXFCSA-N	-1	0	507.142	3.144	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)c4ccc(COc5ccc(F)cc5)o4)[C@@H]3SC2)s1	ZINC000002797939	552192854	/nfs/dbraw/zinc/19/28/54/552192854.db2.gz	YXVNTTWFDYCVSB-UWJYYQICSA-N	-1	0	562.626	3.302	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)c4ccc(COc5ccc(F)cc5)o4)[C@H]3SC2)s1	ZINC000002797940	552192903	/nfs/dbraw/zinc/19/29/03/552192903.db2.gz	YXVNTTWFDYCVSB-LAUBAEHRSA-N	-1	0	562.626	3.302	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)c4ccc(COc5ccc(F)cc5)o4)[C@@H]3SC2)s1	ZINC000002797941	552192864	/nfs/dbraw/zinc/19/28/64/552192864.db2.gz	YXVNTTWFDYCVSB-UTKZUKDTSA-N	-1	0	562.626	3.302	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)c4ccc(COc5ccc(F)cc5)o4)[C@H]3SC2)s1	ZINC000002797942	552192913	/nfs/dbraw/zinc/19/29/13/552192913.db2.gz	YXVNTTWFDYCVSB-DYESRHJHSA-N	-1	0	562.626	3.302	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)c4ccc(COc5ccc(F)cc5F)o4)[C@@H]3SC2)s1	ZINC000002797989	552192938	/nfs/dbraw/zinc/19/29/38/552192938.db2.gz	GGMPNNDBEARKCK-UWJYYQICSA-N	-1	0	580.616	3.441	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)c4ccc(COc5ccc(F)cc5F)o4)[C@H]3SC2)s1	ZINC000002797990	552192924	/nfs/dbraw/zinc/19/29/24/552192924.db2.gz	GGMPNNDBEARKCK-LAUBAEHRSA-N	-1	0	580.616	3.441	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)c4ccc(COc5ccc(F)cc5F)o4)[C@@H]3SC2)s1	ZINC000002797991	552192933	/nfs/dbraw/zinc/19/29/33/552192933.db2.gz	GGMPNNDBEARKCK-UTKZUKDTSA-N	-1	0	580.616	3.441	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)c4ccc(COc5ccc(F)cc5F)o4)[C@H]3SC2)s1	ZINC000002797992	552192876	/nfs/dbraw/zinc/19/28/76/552192876.db2.gz	GGMPNNDBEARKCK-DYESRHJHSA-N	-1	0	580.616	3.441	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)Cn4nc(C(F)F)c(Cl)c4C4CC4)[C@@H]3SC2)s1	ZINC000002798377	552193142	/nfs/dbraw/zinc/19/31/42/552193142.db2.gz	YGSHJEPLTCCPBF-UGSOOPFHSA-N	-1	0	577.060	3.042	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)Cn4nc(C(F)F)c(Cl)c4C4CC4)[C@H]3SC2)s1	ZINC000002798378	552193163	/nfs/dbraw/zinc/19/31/63/552193163.db2.gz	YGSHJEPLTCCPBF-SCLBCKFNSA-N	-1	0	577.060	3.042	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cn4nc(C(F)F)c(Cl)c4C4CC4)[C@@H]3SC2)s1	ZINC000002798379	552193196	/nfs/dbraw/zinc/19/31/96/552193196.db2.gz	YGSHJEPLTCCPBF-ACJLOTCBSA-N	-1	0	577.060	3.042	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cn4nc(C(F)F)c(Cl)c4C4CC4)[C@H]3SC2)s1	ZINC000002798380	552193191	/nfs/dbraw/zinc/19/31/91/552193191.db2.gz	YGSHJEPLTCCPBF-FZKQIMNGSA-N	-1	0	577.060	3.042	50	0		KGAARM
COc1ccc(OCc2ccc(C(=O)N[C@H]3C(=O)N4C(C(=O)[O-])=C(CSc5nnc(C)s5)CS[C@@H]34)o2)cc1	ZINC000002799202	552193667	/nfs/dbraw/zinc/19/36/67/552193667.db2.gz	MVTOTDWAQFLWPY-AVRDEDQJSA-N	-1	0	574.662	3.172	50	0		KGAARM
COc1ccc(OCc2ccc(C(=O)N[C@H]3C(=O)N4C(C(=O)[O-])=C(CSc5nnc(C)s5)CS[C@H]34)o2)cc1	ZINC000002799203	552193679	/nfs/dbraw/zinc/19/36/79/552193679.db2.gz	MVTOTDWAQFLWPY-PGRDOPGGSA-N	-1	0	574.662	3.172	50	0		KGAARM
COc1ccc(OCc2ccc(C(=O)N[C@@H]3C(=O)N4C(C(=O)[O-])=C(CSc5nnc(C)s5)CS[C@@H]34)o2)cc1	ZINC000002799204	552193649	/nfs/dbraw/zinc/19/36/49/552193649.db2.gz	MVTOTDWAQFLWPY-GCJKJVERSA-N	-1	0	574.662	3.172	50	0		KGAARM
COc1ccc(OCc2ccc(C(=O)N[C@@H]3C(=O)N4C(C(=O)[O-])=C(CSc5nnc(C)s5)CS[C@H]34)o2)cc1	ZINC000002799205	552193681	/nfs/dbraw/zinc/19/36/81/552193681.db2.gz	MVTOTDWAQFLWPY-XMSQKQJNSA-N	-1	0	574.662	3.172	50	0		KGAARM
COc1ccccc1OCc1ccc(C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnc(C)s4)CS[C@@H]23)o1	ZINC000002799864	552194225	/nfs/dbraw/zinc/19/42/25/552194225.db2.gz	GJNBATJSYVBNSV-AVRDEDQJSA-N	-1	0	574.662	3.172	50	0		KGAARM
COc1ccccc1OCc1ccc(C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnc(C)s4)CS[C@H]23)o1	ZINC000002799865	552194178	/nfs/dbraw/zinc/19/41/78/552194178.db2.gz	GJNBATJSYVBNSV-PGRDOPGGSA-N	-1	0	574.662	3.172	50	0		KGAARM
COc1ccccc1OCc1ccc(C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnc(C)s4)CS[C@@H]23)o1	ZINC000002799866	552194158	/nfs/dbraw/zinc/19/41/58/552194158.db2.gz	GJNBATJSYVBNSV-GCJKJVERSA-N	-1	0	574.662	3.172	50	0		KGAARM
COc1ccccc1OCc1ccc(C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnc(C)s4)CS[C@H]23)o1	ZINC000002799867	552194128	/nfs/dbraw/zinc/19/41/28/552194128.db2.gz	GJNBATJSYVBNSV-XMSQKQJNSA-N	-1	0	574.662	3.172	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)c4ccc(COc5ccccc5C)o4)[C@H]3SC2)s1	ZINC000002802273	552194951	/nfs/dbraw/zinc/19/49/51/552194951.db2.gz	LBHHCDUQKDGSII-XMSQKQJNSA-N	-1	0	558.663	3.471	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)c4ccc(COc5ccccc5C)o4)[C@H]3SC2)s1	ZINC000002802274	552194957	/nfs/dbraw/zinc/19/49/57/552194957.db2.gz	LBHHCDUQKDGSII-PGRDOPGGSA-N	-1	0	558.663	3.471	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)c4ccc(COc5ccccc5C)o4)[C@@H]3SC2)s1	ZINC000002802275	552194948	/nfs/dbraw/zinc/19/49/48/552194948.db2.gz	LBHHCDUQKDGSII-GCJKJVERSA-N	-1	0	558.663	3.471	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)c4ccc(COc5ccccc5C)o4)[C@@H]3SC2)s1	ZINC000002802276	552194938	/nfs/dbraw/zinc/19/49/38/552194938.db2.gz	LBHHCDUQKDGSII-AVRDEDQJSA-N	-1	0	558.663	3.471	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)c4ccc(COc5cccc(C)c5)o4)[C@H]3SC2)s1	ZINC000002802607	552195094	/nfs/dbraw/zinc/19/50/94/552195094.db2.gz	WZDJAEGBOMHJJX-XMSQKQJNSA-N	-1	0	558.663	3.471	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)c4ccc(COc5cccc(C)c5)o4)[C@H]3SC2)s1	ZINC000002802608	552195067	/nfs/dbraw/zinc/19/50/67/552195067.db2.gz	WZDJAEGBOMHJJX-PGRDOPGGSA-N	-1	0	558.663	3.471	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)c4ccc(COc5cccc(C)c5)o4)[C@@H]3SC2)s1	ZINC000002802609	552195071	/nfs/dbraw/zinc/19/50/71/552195071.db2.gz	WZDJAEGBOMHJJX-GCJKJVERSA-N	-1	0	558.663	3.471	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)c4ccc(COc5cccc(C)c5)o4)[C@@H]3SC2)s1	ZINC000002802610	552195075	/nfs/dbraw/zinc/19/50/75/552195075.db2.gz	WZDJAEGBOMHJJX-AVRDEDQJSA-N	-1	0	558.663	3.471	50	0		KGAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(Br)o3)cc2)n1	ZINC000002842357	552199674	/nfs/dbraw/zinc/19/96/74/552199674.db2.gz	HSTZKOAGXNSTGK-UHFFFAOYSA-N	-1	0	510.395	3.377	50	0		KGAARM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(C)(=O)=O)cc3)cc2)c(OC)c1	ZINC000002843703	552200129	/nfs/dbraw/zinc/20/01/29/552200129.db2.gz	KCKUFHPOVUCTLK-UHFFFAOYSA-N	-1	0	519.601	3.153	50	0		KGAARM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)cc2)c(OC)c1	ZINC000002858835	552203214	/nfs/dbraw/zinc/20/32/14/552203214.db2.gz	ZHWSDJBOWNSVKQ-UHFFFAOYSA-N	-1	0	596.083	3.431	50	0		KGAARM
CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2I)cc1	ZINC000002889861	552211086	/nfs/dbraw/zinc/21/10/86/552211086.db2.gz	CMPPAEJAQQACEV-UHFFFAOYSA-N	-1	0	501.346	3.332	50	0		KGAARM
COc1nsnc1[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(Br)cc2)cc1	ZINC000002903727	552212751	/nfs/dbraw/zinc/21/27/51/552212751.db2.gz	OPWUHOPANDHYDS-UHFFFAOYSA-N	-1	0	528.435	3.237	50	0		KGAARM
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1	ZINC000002936507	552227227	/nfs/dbraw/zinc/22/72/27/552227227.db2.gz	SYTMYXUFJXNRNM-LJJBLSSYSA-N	-1	0	500.532	3.366	50	0		KGAARM
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1	ZINC000002936511	552227225	/nfs/dbraw/zinc/22/72/25/552227225.db2.gz	SYTMYXUFJXNRNM-CVGPFBNFSA-N	-1	0	500.532	3.366	50	0		KGAARM
O=C(C[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1	ZINC000002966956	552236068	/nfs/dbraw/zinc/23/60/68/552236068.db2.gz	HPIZTRPHJIRYLA-SFHVURJKSA-N	-1	0	502.518	3.274	50	0		KGAARM
O=C(C[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1	ZINC000002966960	552236075	/nfs/dbraw/zinc/23/60/75/552236075.db2.gz	HPIZTRPHJIRYLA-GOSISDBHSA-N	-1	0	502.518	3.274	50	0		KGAARM
O=C(c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000002971626	552244695	/nfs/dbraw/zinc/24/46/95/552244695.db2.gz	JZSMEHNONYVDSY-UHFFFAOYSA-N	-1	0	504.568	3.387	50	0		KGAARM
NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cn3c(=O)c4cc(Br)ccc4[n-]c3=S)cc2)cc1	ZINC000002973679	552245523	/nfs/dbraw/zinc/24/55/23/552245523.db2.gz	KUYFJJROJAVPPC-UHFFFAOYSA-N	-1	0	573.494	3.116	50	0		KGAARM
NC(=O)C1CCN(C(=O)c2ccc(Cn3c(=O)c4cc(Br)ccc4[n-]c3=S)cc2)CC1	ZINC000002973689	552245480	/nfs/dbraw/zinc/24/54/80/552245480.db2.gz	NFGJGDWDGMTBKP-UHFFFAOYSA-N	-1	0	501.406	3.207	50	0		KGAARM
NS(=O)(=O)c1ccc(CCNC(=O)CCCCCn2c(=O)c3cc(Br)ccc3[n-]c2=S)cc1	ZINC000002973900	552245735	/nfs/dbraw/zinc/24/57/35/552245735.db2.gz	SUMKOABHQLFZSE-UHFFFAOYSA-N	-1	0	553.504	3.014	50	0		KGAARM
COc1ccc(CCNC(=O)CSc2nc3ccccc3c(=O)n2[N-]C(=O)c2cccs2)cc1OC	ZINC000002974034	552245963	/nfs/dbraw/zinc/24/59/63/552245963.db2.gz	ORXLTNWMGBMAJD-UHFFFAOYSA-N	-1	0	524.624	3.310	50	0		KGAARM
Cc1ccc(S(=O)(=O)[N-]n2c(=O)c3ccccc3nc2SCC(=O)N2CCN(c3ccccc3)CC2)cc1	ZINC000002974056	552246199	/nfs/dbraw/zinc/24/61/99/552246199.db2.gz	HGPUCEFMGQTMNY-UHFFFAOYSA-N	-1	0	549.678	3.078	50	0		KGAARM
Cc1ccc(S(=O)(=O)[N-]n2c(SCC(=O)NCCc3ccccc3)nc3ccccc3c2=O)cc1	ZINC000002974077	552246213	/nfs/dbraw/zinc/24/62/13/552246213.db2.gz	KHRAYIRFHQNBSH-UHFFFAOYSA-N	-1	0	508.625	3.088	50	0		KGAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)c1	ZINC000002984486	552250442	/nfs/dbraw/zinc/25/04/42/552250442.db2.gz	HYPPERLOSYFQAO-UHFFFAOYSA-N	-1	0	505.574	3.264	50	0		KGAARM
NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3c(c2)[n-]c(=S)n(CCC2=CCCCC2)c3=O)cc1	ZINC000003052045	552278325	/nfs/dbraw/zinc/27/83/25/552278325.db2.gz	OEDUBIFPEDXZTH-UHFFFAOYSA-N	-1	0	512.657	3.196	50	0		KGAARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)s1	ZINC000003109837	552289500	/nfs/dbraw/zinc/28/95/00/552289500.db2.gz	QNLSOCZFXGMLHX-UHFFFAOYSA-N	-1	0	535.673	3.328	50	0		KGAARM
CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)c1	ZINC000003173208	552299616	/nfs/dbraw/zinc/29/96/16/552299616.db2.gz	VCJGZMYRZFFWET-UHFFFAOYSA-N	-1	0	517.633	3.177	50	0		KGAARM
CN(c1nc2ccccc2nc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[C@H]1CCS(=O)(=O)C1	ZINC000003173371	552299516	/nfs/dbraw/zinc/29/95/16/552299516.db2.gz	RTGVJMITPPBGNB-ZDUSSCGKSA-N	-1	0	501.417	3.361	50	0		KGAARM
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000003217653	552308438	/nfs/dbraw/zinc/30/84/38/552308438.db2.gz	OOPVNGKMZGTIRM-UHFFFAOYSA-N	-1	0	515.617	3.013	50	0		KGAARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)c1C	ZINC000003228012	552313889	/nfs/dbraw/zinc/31/38/89/552313889.db2.gz	VACTWDFRUNAVQT-UHFFFAOYSA-N	-1	0	504.590	3.129	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1C	ZINC000003229883	552314968	/nfs/dbraw/zinc/31/49/68/552314968.db2.gz	XXKTUBNWOFYRNJ-UHFFFAOYSA-N	-1	0	503.602	3.307	50	0		KGAARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCc2ccccc2C1	ZINC000003245774	552320584	/nfs/dbraw/zinc/32/05/84/552320584.db2.gz	UNAWVCQWIGYNGU-UHFFFAOYSA-N	-1	0	508.552	3.000	50	0		KGAARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccc2c(c1)NC(=O)CO2	ZINC000003245812	552320519	/nfs/dbraw/zinc/32/05/19/552320519.db2.gz	XNGFLAMBWVQVGH-UHFFFAOYSA-N	-1	0	502.451	3.136	50	0		KGAARM
CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)Cn2nc(C(=O)[O-])c3ccccc3c2=O)nc1C	ZINC000003252455	552323170	/nfs/dbraw/zinc/32/31/70/552323170.db2.gz	NUVFPQMMWVZBQS-UHFFFAOYSA-N	-1	0	506.540	3.270	50	0		KGAARM
COc1ccc(S(=O)(=O)[O-])cc1[C@H]1c2c(C)nn(-c3ccccc3)c2NC(=O)[C@H]1NC(=O)c1ccccc1	ZINC000003254265	552323774	/nfs/dbraw/zinc/32/37/74/552323774.db2.gz	FHJSLFXXXVJSET-ZEQRLZLVSA-N	-1	0	532.578	3.319	50	0		KGAARM
COc1ccc(S(=O)(=O)[O-])cc1[C@@H]1c2c(C)nn(-c3ccccc3)c2NC(=O)[C@H]1NC(=O)c1ccccc1	ZINC000003254266	552323714	/nfs/dbraw/zinc/32/37/14/552323714.db2.gz	FHJSLFXXXVJSET-RPWUZVMVSA-N	-1	0	532.578	3.319	50	0		KGAARM
COc1ccc(S(=O)(=O)[O-])cc1[C@H]1c2c(C)nn(-c3ccccc3)c2NC(=O)[C@@H]1NC(=O)c1ccccc1	ZINC000003254267	552323795	/nfs/dbraw/zinc/32/37/95/552323795.db2.gz	FHJSLFXXXVJSET-BJKOFHAPSA-N	-1	0	532.578	3.319	50	0		KGAARM
COc1ccc(S(=O)(=O)[O-])cc1[C@@H]1c2c(C)nn(-c3ccccc3)c2NC(=O)[C@@H]1NC(=O)c1ccccc1	ZINC000003254269	552323706	/nfs/dbraw/zinc/32/37/06/552323706.db2.gz	FHJSLFXXXVJSET-DNQXCXABSA-N	-1	0	532.578	3.319	50	0		KGAARM
COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)OCC(=O)Nc3cc(C)on3)ccc2OC)cc1Cl	ZINC000003335927	552361066	/nfs/dbraw/zinc/36/10/66/552361066.db2.gz	PUGIWTWMKIQTBJ-UHFFFAOYSA-N	-1	0	539.950	3.259	50	0		KGAARM
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)ccc1Cl	ZINC000003336761	552361325	/nfs/dbraw/zinc/36/13/25/552361325.db2.gz	RYFRTTNRWPKLHB-UHFFFAOYSA-N	-1	0	524.024	3.214	50	0		KGAARM
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c1	ZINC000003359485	552370609	/nfs/dbraw/zinc/37/06/09/552370609.db2.gz	ZYKYDWWXRNPNDU-UHFFFAOYSA-N	-1	0	524.024	3.214	50	0		KGAARM
COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)OCC(=O)NC(C)(C)C)ccc2OC)cc1Cl	ZINC000003360885	552370868	/nfs/dbraw/zinc/37/08/68/552370868.db2.gz	WFUIBTCSDXZAEQ-UHFFFAOYSA-N	-1	0	514.984	3.238	50	0		KGAARM
COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)n1C	ZINC000003364206	552372715	/nfs/dbraw/zinc/37/27/15/552372715.db2.gz	UHNNJBVSBWJKFZ-UHFFFAOYSA-N	-1	0	539.643	3.429	50	0		KGAARM
COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)n1C	ZINC000003364336	552372703	/nfs/dbraw/zinc/37/27/03/552372703.db2.gz	ZEKKLYZMGYGSCK-UHFFFAOYSA-N	-1	0	516.630	3.479	50	0		KGAARM
O=C(COC(=O)C[N-]S(=O)(=O)c1c(F)cc(F)cc1Br)NC(c1ccccc1)c1ccccc1	ZINC000003381982	552378195	/nfs/dbraw/zinc/37/81/95/552378195.db2.gz	WVGDPQRPVYGEQQ-UHFFFAOYSA-N	-1	0	553.381	3.455	50	0		KGAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1	ZINC000003383540	552378441	/nfs/dbraw/zinc/37/84/41/552378441.db2.gz	HAMWDRIHYXOULJ-UHFFFAOYSA-N	-1	0	535.607	3.281	50	0		KGAARM
O=C(COC(=O)C[N-]S(=O)(=O)c1c(F)cc(F)cc1Br)Nc1ccc2ccccc2c1	ZINC000003390291	552379193	/nfs/dbraw/zinc/37/91/93/552379193.db2.gz	DGIBSWZGLQOKKV-UHFFFAOYSA-N	-1	0	513.316	3.341	50	0		KGAARM
COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc2C)cc1Cl	ZINC000003418102	552383134	/nfs/dbraw/zinc/38/31/34/552383134.db2.gz	CBWTUYHFOXJDJT-UHFFFAOYSA-N	-1	0	568.073	3.086	50	0		KGAARM
O=S(=O)([N-]c1nc2ccccc2nc1N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1)c1ccc(F)cc1	ZINC000003430610	552385187	/nfs/dbraw/zinc/38/51/87/552385187.db2.gz	GNHKPGZYCIXRDV-UHFFFAOYSA-N	-1	0	581.573	3.498	50	0		KGAARM
O=C(NCCCN1CCCC1=O)c1ccc2c(c1)[n-]c(=S)n(Cc1cccc(Br)c1)c2=O	ZINC000003632201	552397701	/nfs/dbraw/zinc/39/77/01/552397701.db2.gz	UBLPYDBRQDWBLW-UHFFFAOYSA-N	-1	0	515.433	3.238	50	0		KGAARM
O=c1[n-]n(-c2nc(N(c3ccccc3)c3ccccc3)nc(-n3[nH]c(=O)c4ccccc4c3=O)n2)c(=O)c2ccccc12	ZINC000003671183	552412202	/nfs/dbraw/zinc/41/22/02/552412202.db2.gz	AYQDCXBLNXRQAE-UHFFFAOYSA-N	-1	0	568.553	3.326	50	0		KGAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nnc4c5ccccc5n(C)c4n3)cc2)n1	ZINC000003672619	552412841	/nfs/dbraw/zinc/41/28/41/552412841.db2.gz	YOFBYQRAIRSYTR-UHFFFAOYSA-N	-1	0	534.627	3.455	50	0		KGAARM
CC(=O)Nc1c(I)cc(I)c(C(=O)[O-])c1I	ZINC000003830175	552418533	/nfs/dbraw/zinc/41/85/33/552418533.db2.gz	GNOGSFBXBWBTIG-UHFFFAOYSA-N	-1	0	556.863	3.157	50	0	in-man	KGAARM
CC(=O)Nc1c(I)c(C(=O)[O-])c(I)c(N(C)C(C)=O)c1I	ZINC000003831116	552419464	/nfs/dbraw/zinc/41/94/64/552419464.db2.gz	GGGDNPWHMNJRFN-UHFFFAOYSA-N	-1	0	627.942	3.140	50	0	world	KGAARM
C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@H](O)C[C@]2(C)[C@]1(O)C(=O)COC(=O)c1cccc(S(=O)(=O)[O-])c1	ZINC000003872267	552421058	/nfs/dbraw/zinc/42/10/58/552421058.db2.gz	TWQWRHIQRAZHPR-LXKLTRLTSA-N	-1	0	576.639	3.007	50	0	biogenic	KGAARM
CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)N[C@H](Cc1ccccn1)C(=O)[O-]	ZINC000003922715	552422477	/nfs/dbraw/zinc/42/24/77/552422477.db2.gz	LIOKMIQQPDDTNO-UPRLRBBYSA-N	-1	0	604.752	3.413	50	0	investigational	KGAARM
COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2ccnc(-c3nn[nH]n3)c2)nc1OCCO	ZINC000003954692	552423929	/nfs/dbraw/zinc/42/39/29/552423929.db2.gz	TUYWTLTWNJOZNY-UHFFFAOYSA-N	-1	0	605.637	3.210	50	0	investigational	KGAARM
CCOC(=O)[C@@](NC(=O)CC(C)C)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1)C(F)(F)F	ZINC000004047813	552431409	/nfs/dbraw/zinc/43/14/09/552431409.db2.gz	GWPKZONJLJLQMW-AREMUKBSSA-N	-1	0	584.567	3.280	50	0		KGAARM
CCOC(=O)[C@](NC(=O)CC(C)C)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1)C(F)(F)F	ZINC000004047814	552431428	/nfs/dbraw/zinc/43/14/28/552431428.db2.gz	GWPKZONJLJLQMW-SANMLTNESA-N	-1	0	584.567	3.280	50	0		KGAARM
CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)[O-])c1I	ZINC000004097476	336463638	/nfs/dbraw/zinc/46/36/38/336463638.db2.gz	YVPYQUNUQOZFHG-UHFFFAOYSA-N	-1	0	613.915	3.115	50	0	fda	KGAARM
Cc1ccc(S(=O)(=O)[N-]C(=O)N(O)[C@H]2N(Cc3ccc4c(c3)OCO4)C(=S)SC2(C)C)cc1	ZINC000004244509	552452555	/nfs/dbraw/zinc/45/25/55/552452555.db2.gz	ZXEUMYVZCIMPHY-GOSISDBHSA-N	-1	0	509.631	3.452	50	0		KGAARM
O=C([O-])c1cn(C2CC2)c2cc(N3CCN(C(=S)Nc4ccc5c(c4)OCCO5)CC3)c(F)cc2c1=O	ZINC000004440911	552461295	/nfs/dbraw/zinc/46/12/95/552461295.db2.gz	NWMNUCDRTKLFEQ-UHFFFAOYSA-N	-1	0	524.574	3.464	50	0		KGAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	ZINC000004647322	552470413	/nfs/dbraw/zinc/47/04/13/552470413.db2.gz	XVQKDXYRBZICOZ-VABKMULXSA-N	-1	0	533.610	3.002	50	0		KGAARM
COCCCNC(=O)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2cc(OC)ccc2OC)c1	ZINC000004647385	552470766	/nfs/dbraw/zinc/47/07/66/552470766.db2.gz	HSDFATNHEWMGBG-IRLDBZIGSA-N	-1	0	596.706	3.056	50	0		KGAARM
COc1ncc(Br)cc1C(=O)NCCc1ccc(S(=O)(=O)[N-]C(=O)NC2CCCCC2)cc1	ZINC000005574378	552505040	/nfs/dbraw/zinc/50/50/40/552505040.db2.gz	YEHLEGUHJVOMEK-UHFFFAOYSA-N	-1	0	539.452	3.146	50	0		KGAARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1OC	ZINC000005941237	552513675	/nfs/dbraw/zinc/51/36/75/552513675.db2.gz	KPYRCQVTFJXOAM-UHFFFAOYSA-N	-1	0	596.083	3.431	50	0		KGAARM
COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1OC	ZINC000006017578	552519852	/nfs/dbraw/zinc/51/98/52/552519852.db2.gz	VIAKJLFNJZFSGV-WUXMJOGZSA-N	-1	0	527.628	3.438	50	0		KGAARM
C1CCN(c2nc([N-]N=c3nc(N4CCCCC4)nc(N4CCCCC4)[nH]3)nc(N3CCCCC3)n2)CC1	ZINC000006073452	552521364	/nfs/dbraw/zinc/52/13/64/552521364.db2.gz	TXZBWDYBKRBIJQ-UHFFFAOYSA-N	-1	0	522.706	3.457	50	0		KGAARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(OC)cc3)cc2)s1	ZINC000006088683	552530445	/nfs/dbraw/zinc/53/04/45/552530445.db2.gz	ZGPRTUCDMSOHPP-AWNIVKPZSA-N	-1	0	503.631	3.436	50	0	aggregator	KGAARM
CSCC[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)N1C(=O)c2ccccc2C1=O	ZINC000006093042	552533937	/nfs/dbraw/zinc/53/39/37/552533937.db2.gz	RTIFJJNFUDAYSV-SFHVURJKSA-N	-1	0	516.626	3.300	50	0		KGAARM
CSCC[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)N1C(=O)c2ccccc2C1=O	ZINC000006093044	552533855	/nfs/dbraw/zinc/53/38/55/552533855.db2.gz	RTIFJJNFUDAYSV-GOSISDBHSA-N	-1	0	516.626	3.300	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1	ZINC000006130425	552534885	/nfs/dbraw/zinc/53/48/85/552534885.db2.gz	XXUPYJNCCSPELT-LJQANCHMSA-N	-1	0	564.620	3.478	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1	ZINC000006130426	552534829	/nfs/dbraw/zinc/53/48/29/552534829.db2.gz	XXUPYJNCCSPELT-IBGZPJMESA-N	-1	0	564.620	3.478	50	0		KGAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)cc2)nc(OC)n1	ZINC000006142700	552543978	/nfs/dbraw/zinc/54/39/78/552543978.db2.gz	NQAMUFHWKYFSHF-UHFFFAOYSA-N	-1	0	575.669	3.112	50	0		KGAARM
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(OC)nc(OC)n3)cc2)cc1	ZINC000006142937	552544626	/nfs/dbraw/zinc/54/46/26/552544626.db2.gz	KHCLRKNIJZIEFM-UHFFFAOYSA-N	-1	0	577.685	3.358	50	0		KGAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN3C(=O)c4cccc5cccc(c54)C3=O)cc2)nc(OC)n1	ZINC000006142959	552544562	/nfs/dbraw/zinc/54/45/62/552544562.db2.gz	IOALVNGZLLIZIX-UHFFFAOYSA-N	-1	0	575.603	3.463	50	0		KGAARM
COc1ccc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(OC)nc(OC)n4)cc3)o2)cc1	ZINC000006142962	552544555	/nfs/dbraw/zinc/54/45/55/552544555.db2.gz	ZUGVLRMRQIPNIA-UHFFFAOYSA-N	-1	0	558.598	3.084	50	0		KGAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nc4sc5c(c4c(=O)n3C)CCCC5)cc2)nc(OC)n1	ZINC000006142963	552544587	/nfs/dbraw/zinc/54/45/87/552544587.db2.gz	SVGBDBUVGJINGL-UHFFFAOYSA-N	-1	0	602.720	3.213	50	0		KGAARM
C[C@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000006144132	552545441	/nfs/dbraw/zinc/54/54/41/552545441.db2.gz	RVEWARDAQVNBOF-ZDUSSCGKSA-N	-1	0	526.556	3.175	50	0		KGAARM
C[C@@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000006144133	552545521	/nfs/dbraw/zinc/54/55/21/552545521.db2.gz	RVEWARDAQVNBOF-CYBMUJFWSA-N	-1	0	526.556	3.175	50	0		KGAARM
C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1CCc2ccccc21	ZINC000006144710	552546942	/nfs/dbraw/zinc/54/69/42/552546942.db2.gz	WWEXLMSROXWZDX-KRWDZBQOSA-N	-1	0	508.552	3.393	50	0		KGAARM
C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1CCc2ccccc21	ZINC000006144712	552546937	/nfs/dbraw/zinc/54/69/37/552546937.db2.gz	WWEXLMSROXWZDX-QGZVFWFLSA-N	-1	0	508.552	3.393	50	0		KGAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	ZINC000006154895	552552344	/nfs/dbraw/zinc/55/23/44/552552344.db2.gz	QVCDSZJQUAAOJF-SFHVURJKSA-N	-1	0	527.049	3.389	50	0		KGAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	ZINC000006154896	552552460	/nfs/dbraw/zinc/55/24/60/552552460.db2.gz	QVCDSZJQUAAOJF-GOSISDBHSA-N	-1	0	527.049	3.389	50	0		KGAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)cc2)n1	ZINC000006156066	552552357	/nfs/dbraw/zinc/55/23/57/552552357.db2.gz	LUKSQZFYGZHBEU-KRWDZBQOSA-N	-1	0	529.644	3.259	50	0		KGAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)cc2)n1	ZINC000006156068	552552424	/nfs/dbraw/zinc/55/24/24/552552424.db2.gz	LUKSQZFYGZHBEU-QGZVFWFLSA-N	-1	0	529.644	3.259	50	0		KGAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)cc2)n1	ZINC000006156069	552552497	/nfs/dbraw/zinc/55/24/97/552552497.db2.gz	ONPYACZYEBVSMD-SFHVURJKSA-N	-1	0	529.644	3.401	50	0		KGAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)cc2)n1	ZINC000006156071	552552337	/nfs/dbraw/zinc/55/23/37/552552337.db2.gz	ONPYACZYEBVSMD-GOSISDBHSA-N	-1	0	529.644	3.401	50	0		KGAARM
CCN(Cc1ccccc1)C(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000006173397	552558953	/nfs/dbraw/zinc/55/89/53/552558953.db2.gz	ZHHMHCISHVQAJX-UHFFFAOYSA-N	-1	0	510.568	3.464	50	0		KGAARM
Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)S(C)(=O)=O)c1	ZINC000006229299	552571884	/nfs/dbraw/zinc/57/18/84/552571884.db2.gz	WKMVEAJFXCWCIV-INIZCTEOSA-N	-1	0	508.647	3.354	50	0		KGAARM
Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)S(C)(=O)=O)c1	ZINC000006229300	193873584	/nfs/dbraw/zinc/87/35/84/193873584.db2.gz	WKMVEAJFXCWCIV-MRXNPFEDSA-N	-1	0	508.647	3.354	50	0		KGAARM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1	ZINC000006267869	552575802	/nfs/dbraw/zinc/57/58/02/552575802.db2.gz	ZGSBUVLOKNITGJ-UHFFFAOYSA-N	-1	0	510.524	3.257	50	0		KGAARM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000006545224	552598526	/nfs/dbraw/zinc/59/85/26/552598526.db2.gz	ALXHCKNZUMRUDG-VVNKCDPRSA-N	-1	0	558.568	3.485	50	0		KGAARM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000006545226	552598453	/nfs/dbraw/zinc/59/84/53/552598453.db2.gz	ALXHCKNZUMRUDG-PLQXQRLBSA-N	-1	0	558.568	3.485	50	0		KGAARM
CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000008396378	552995365	/nfs/dbraw/zinc/99/53/65/552995365.db2.gz	DQIMJPHPSVUGAW-LZYBPNLTSA-N	-1	0	540.285	3.385	50	0		KGAARM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000008443185	553045583	/nfs/dbraw/zinc/04/55/83/553045583.db2.gz	BLLNFNZBROFLQF-YXDQGSNCSA-N	-1	0	558.568	3.485	50	0		KGAARM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000008443186	553045629	/nfs/dbraw/zinc/04/56/29/553045629.db2.gz	BLLNFNZBROFLQF-ITIZVALFSA-N	-1	0	558.568	3.485	50	0		KGAARM
CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C/c3ccc(OCC(=O)[O-])c(OC)c3)c(=O)n21	ZINC000008452472	553064078	/nfs/dbraw/zinc/06/40/78/553064078.db2.gz	GEJOEPAMWOJERN-RJFKIUDMSA-N	-1	0	596.658	3.068	50	0		KGAARM
CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C/c3ccc(OCC(=O)[O-])c(OC)c3)c(=O)n21	ZINC000008452473	553064029	/nfs/dbraw/zinc/06/40/29/553064029.db2.gz	GEJOEPAMWOJERN-WPUHHHFCSA-N	-1	0	596.658	3.068	50	0		KGAARM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C	ZINC000008454188	553067785	/nfs/dbraw/zinc/06/77/85/553067785.db2.gz	FSIATQUKKDBLDM-XOYGFPHKSA-N	-1	0	506.580	3.284	50	0		KGAARM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C	ZINC000008454189	553067792	/nfs/dbraw/zinc/06/77/92/553067792.db2.gz	FSIATQUKKDBLDM-YJADQXIJSA-N	-1	0	506.580	3.284	50	0		KGAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)cc2)c1	ZINC000008576335	553078367	/nfs/dbraw/zinc/07/83/67/553078367.db2.gz	GEJVYKCECTVSQT-UHFFFAOYSA-N	-1	0	505.574	3.128	50	0		KGAARM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)cc2)c(OC)c1	ZINC000008576615	553078352	/nfs/dbraw/zinc/07/83/52/553078352.db2.gz	VEYCDGKACDCGGA-UHFFFAOYSA-N	-1	0	505.574	3.128	50	0		KGAARM
CC(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc4c(c3)OCCO4)[n-]c2=O)cc1	ZINC000008592075	553083621	/nfs/dbraw/zinc/08/36/21/553083621.db2.gz	FAYAHNACYAINBY-UHFFFAOYSA-N	-1	0	501.586	3.228	50	0		KGAARM
O=C(CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[n-]1)NCc1ccc(Cl)cc1	ZINC000008592413	553084030	/nfs/dbraw/zinc/08/40/30/553084030.db2.gz	GFZPKQSHJNHHBV-UHFFFAOYSA-N	-1	0	528.837	3.427	50	0		KGAARM
Cc1ccc(CNC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c(=O)[n-]2)cc1	ZINC000008592435	553084063	/nfs/dbraw/zinc/08/40/63/553084063.db2.gz	WKFYNUJVEQPCJA-UHFFFAOYSA-N	-1	0	508.419	3.082	50	0		KGAARM
CC(C)(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc4c(c3)OCCO4)[n-]c2=O)cc1	ZINC000008604410	553097507	/nfs/dbraw/zinc/09/75/07/553097507.db2.gz	LOPKZSNHYQVPQM-UHFFFAOYSA-N	-1	0	515.613	3.402	50	0		KGAARM
COc1cc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c(=O)[n-]2)cc(OC)c1	ZINC000008604707	553097886	/nfs/dbraw/zinc/09/78/86/553097886.db2.gz	QKKWXIBSPRHDSS-UHFFFAOYSA-N	-1	0	540.417	3.113	50	0		KGAARM
CCOC(=O)c1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)c(Cl)c3)c(=O)[n-]2)cc1	ZINC000008609592	553100200	/nfs/dbraw/zinc/10/02/00/553100200.db2.gz	DSHPITIRTSSZOH-UHFFFAOYSA-N	-1	0	522.004	3.472	50	0	aggregator	KGAARM
Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc4c(c3)OCCO4)[n-]c2=O)cc1Cl	ZINC000008609597	553100148	/nfs/dbraw/zinc/10/01/48/553100148.db2.gz	CZMRQXBKRFDNOP-UHFFFAOYSA-N	-1	0	507.977	3.067	50	0		KGAARM
CCOC(=O)c1cc(OCCOC)c(OCCOC)cc1[N-]S(=O)(=O)c1cccc2cccnc21	ZINC000008626497	553103886	/nfs/dbraw/zinc/10/38/86/553103886.db2.gz	HPEIYBARCODQPC-UHFFFAOYSA-N	-1	0	504.561	3.263	50	0		KGAARM
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1Cl	ZINC000008637238	553106215	/nfs/dbraw/zinc/10/62/15/553106215.db2.gz	FPMQPCOPGADDAK-UHFFFAOYSA-N	-1	0	509.997	3.307	50	0		KGAARM
CCOC(=O)c1[n-]n(C(=O)Nc2ccc(OC)cc2)c2c(O)n(-c3cccc(C(F)(F)F)c3)c(=O)c1-2	ZINC000008653806	553108056	/nfs/dbraw/zinc/10/80/56/553108056.db2.gz	XGMZKPTXMBDOEP-WMZOPIPTSA-N	-1	0	504.421	3.039	50	0		KGAARM
CC(C)C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000008686266	553115180	/nfs/dbraw/zinc/11/51/80/553115180.db2.gz	IAGCYIUHTJNDNX-LEWJYISDSA-N	-1	0	533.691	3.472	50	0		KGAARM
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1	ZINC000008686840	553116052	/nfs/dbraw/zinc/11/60/52/553116052.db2.gz	ZSJKAORSOXTEOY-UHFFFAOYSA-N	-1	0	558.059	3.181	50	0		KGAARM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)nn1	ZINC000008732589	553130359	/nfs/dbraw/zinc/13/03/59/553130359.db2.gz	WYOBXXHLDLFDMQ-UHFFFAOYSA-N	-1	0	501.634	3.315	50	0		KGAARM
CCOc1cccc(C(=O)NC(=S)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4CC)CC2)c1	ZINC000008743554	553133886	/nfs/dbraw/zinc/13/38/86/553133886.db2.gz	QFIMWOMQKLZIHM-UHFFFAOYSA-N	-1	0	526.590	3.094	50	0		KGAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Oc5ccccc5)cc4)c=3c2=O)cc1OC	ZINC000008756996	553136231	/nfs/dbraw/zinc/13/62/31/553136231.db2.gz	TXSCOETUVWMOQU-BJKOFHAPSA-N	-1	0	501.499	3.428	50	0		KGAARM
COc1ccc(N2C(=O)[N-]C(=O)C(=C(NCc3cc(OC)c(OC)c(OC)c3)Nc3ccccc3)C2=O)cc1	ZINC000008757655	553136516	/nfs/dbraw/zinc/13/65/16/553136516.db2.gz	UMVKJFBCDOWPFT-BZZOAKBMSA-N	-1	0	532.553	3.417	50	0		KGAARM
CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O	ZINC000008789250	553145387	/nfs/dbraw/zinc/14/53/87/553145387.db2.gz	ICQSMOIRUNOHQP-VPYPWEPUSA-N	-1	0	502.571	3.040	50	0	biogenic	KGAARM
CSCC[C@@H](NC(=O)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(C)C)C(=O)[O-]	ZINC000008790011	553146111	/nfs/dbraw/zinc/14/61/11/553146111.db2.gz	YOHLJEZFGKWWJR-NHCUHLMSSA-N	-1	0	535.707	3.419	50	0	biogenic	KGAARM
CSCC[C@H](NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)NCCC(=O)[O-]	ZINC000008790207	553146434	/nfs/dbraw/zinc/14/64/34/553146434.db2.gz	JCDSYMXJEDWHAY-IBGZPJMESA-N	-1	0	502.589	3.226	50	0	biogenic	KGAARM
CSCC[C@H](NC(=O)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(C)C)C(=O)[O-]	ZINC000008790254	553146374	/nfs/dbraw/zinc/14/63/74/553146374.db2.gz	YOHLJEZFGKWWJR-LEWJYISDSA-N	-1	0	535.707	3.419	50	0	biogenic	KGAARM
CC[C@H](NC(=O)Cc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-]	ZINC000008790336	553146422	/nfs/dbraw/zinc/14/64/22/553146422.db2.gz	UOBJQMIMYDLHEC-SFTDATJTSA-N	-1	0	528.989	3.321	50	0	biogenic	KGAARM
CC[C@@H](NC(=O)Cc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-]	ZINC000008790337	553146444	/nfs/dbraw/zinc/14/64/44/553146444.db2.gz	UOBJQMIMYDLHEC-RTWAWAEBSA-N	-1	0	528.989	3.321	50	0	biogenic	KGAARM
CC[C@H](NC(=O)Cc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)[O-]	ZINC000008790338	553146461	/nfs/dbraw/zinc/14/64/61/553146461.db2.gz	UOBJQMIMYDLHEC-LEWJYISDSA-N	-1	0	528.989	3.321	50	0	biogenic	KGAARM
CC(C)[C@@H](NC(=O)[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(C)C)C(=O)[O-]	ZINC000008790380	553146381	/nfs/dbraw/zinc/14/63/81/553146381.db2.gz	LAFKIFLHLLIPDU-LEWJYISDSA-N	-1	0	503.640	3.322	50	0	biogenic	KGAARM
CSCC[C@H](NC(=O)[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(C)C)C(=O)[O-]	ZINC000008790431	553146572	/nfs/dbraw/zinc/14/65/72/553146572.db2.gz	YOHLJEZFGKWWJR-SFTDATJTSA-N	-1	0	535.707	3.419	50	0	biogenic	KGAARM
Cc1oc2c(cc3c(C)c(CC(=O)N[C@@H](Cc4ccccc4)C(=O)NCC(=O)[O-])c(=O)oc3c2C)c1C	ZINC000008790457	553146614	/nfs/dbraw/zinc/14/66/14/553146614.db2.gz	CSMMILUKCBKAED-QFIPXVFZSA-N	-1	0	504.539	3.244	50	0	biogenic	KGAARM
CC(C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000008790511	553146587	/nfs/dbraw/zinc/14/65/87/553146587.db2.gz	LFVHVVWRGMVCMW-SFTDATJTSA-N	-1	0	501.624	3.172	50	0	biogenic	KGAARM
C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000008790809	553146575	/nfs/dbraw/zinc/14/65/75/553146575.db2.gz	AFDGMGIAWGQKNZ-REWPJTCUSA-N	-1	0	523.630	3.272	50	0	biogenic	KGAARM
C[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000008790857	553146779	/nfs/dbraw/zinc/14/67/79/553146779.db2.gz	AFDGMGIAWGQKNZ-OFNKIYASSA-N	-1	0	523.630	3.272	50	0	biogenic	KGAARM
CC(C)[C@@H](NC(=O)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(C)C)C(=O)[O-]	ZINC000008791043	553146814	/nfs/dbraw/zinc/14/68/14/553146814.db2.gz	LAFKIFLHLLIPDU-NHCUHLMSSA-N	-1	0	503.640	3.322	50	0	biogenic	KGAARM
C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000008791150	553147052	/nfs/dbraw/zinc/14/70/52/553147052.db2.gz	NFDIIJYBVFLLLH-SIKLNZKXSA-N	-1	0	509.603	3.402	50	0	biogenic	KGAARM
C[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000008791203	553147066	/nfs/dbraw/zinc/14/70/66/553147066.db2.gz	NFDIIJYBVFLLLH-DENIHFKCSA-N	-1	0	509.603	3.402	50	0	biogenic	KGAARM
CC(C)[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000008791312	553147042	/nfs/dbraw/zinc/14/70/42/553147042.db2.gz	PKVHTCJYPKFPHM-LEWJYISDSA-N	-1	0	501.624	3.172	50	0	biogenic	KGAARM
CC[C@@H](C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000008791413	553147049	/nfs/dbraw/zinc/14/70/49/553147049.db2.gz	HWBGFFWOIMDWJA-NRSPTQNISA-N	-1	0	533.691	3.472	50	0	biogenic	KGAARM
CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000008876489	553175344	/nfs/dbraw/zinc/17/53/44/553175344.db2.gz	PZFUOFXCIAKGCY-IFOBJOEFSA-N	-1	0	523.655	3.378	50	0	biogenic	KGAARM
CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000008876492	553175355	/nfs/dbraw/zinc/17/53/55/553175355.db2.gz	PZFUOFXCIAKGCY-BTKWVRSESA-N	-1	0	523.655	3.378	50	0	biogenic	KGAARM
CSC[C@@H](NC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000008876702	553175385	/nfs/dbraw/zinc/17/53/85/553175385.db2.gz	LAJNJUVTVIIVAH-UYAOXDASSA-N	-1	0	502.589	3.080	50	0	biogenic	KGAARM
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)[O-]	ZINC000008876838	553175575	/nfs/dbraw/zinc/17/55/75/553175575.db2.gz	BTVGCEKXCBYAQS-ONTIZHBOSA-N	-1	0	512.632	3.113	50	0	biogenic	KGAARM
CSCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)[O-]	ZINC000008876854	553175564	/nfs/dbraw/zinc/17/55/64/553175564.db2.gz	BTVGCEKXCBYAQS-URVUXULASA-N	-1	0	512.632	3.113	50	0	biogenic	KGAARM
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])c2ccccc2)CC1	ZINC000008918136	553187554	/nfs/dbraw/zinc/18/75/54/553187554.db2.gz	VGSQRHOCQKEIMD-GOTSBHOMSA-N	-1	0	509.603	3.303	50	0	biogenic	KGAARM
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1	ZINC000008918213	553187833	/nfs/dbraw/zinc/18/78/33/553187833.db2.gz	DLUFNOJYSADUGZ-VXKWHMMOSA-N	-1	0	514.623	3.068	50	0	biogenic	KGAARM
CC(C)C[C@H](NC(=O)C1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000008918319	553188011	/nfs/dbraw/zinc/18/80/11/553188011.db2.gz	XMYMZDKWHHSENA-GOTSBHOMSA-N	-1	0	528.650	3.458	50	0	biogenic	KGAARM
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1	ZINC000008918473	553188317	/nfs/dbraw/zinc/18/83/17/553188317.db2.gz	GOMJZVKTHZVSTF-GOTSBHOMSA-N	-1	0	528.650	3.458	50	0	biogenic	KGAARM
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1	ZINC000008918499	553188530	/nfs/dbraw/zinc/18/85/30/553188530.db2.gz	DQYCZNHBIWELCW-ZEQRLZLVSA-N	-1	0	523.630	3.173	50	0	biogenic	KGAARM
Cc1c(O)ccc2c(C)c(CCC(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](C(=O)[O-])C(C)C)c(=O)oc12	ZINC000008971778	553195227	/nfs/dbraw/zinc/19/52/27/553195227.db2.gz	AMKPZXKFUGBZTR-ZJSXRUAMSA-N	-1	0	508.571	3.001	50	0	biogenic	KGAARM
COC(=O)[C@]([N-]c1nc2ccc(S(C)(=O)=O)cc2s1)(NC(=O)c1ccc(F)cc1)C(F)(F)F	ZINC000009015913	553200592	/nfs/dbraw/zinc/20/05/92/553200592.db2.gz	BIWFZDYMHSPTLP-GOSISDBHSA-N	-1	0	505.471	3.112	50	0		KGAARM
COC(=O)[C@@]([N-]c1nc2ccc(S(C)(=O)=O)cc2s1)(NC(=O)c1ccc(F)cc1)C(F)(F)F	ZINC000009015914	553200572	/nfs/dbraw/zinc/20/05/72/553200572.db2.gz	BIWFZDYMHSPTLP-SFHVURJKSA-N	-1	0	505.471	3.112	50	0		KGAARM
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)NCC(=O)[O-])C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000009033622	553201727	/nfs/dbraw/zinc/20/17/27/553201727.db2.gz	QQJIMUGEOPHCDF-XXGLAQFXSA-N	-1	0	541.689	3.028	50	0	biogenic	KGAARM
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C(=O)NCC(=O)[O-])C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000009033625	553201672	/nfs/dbraw/zinc/20/16/72/553201672.db2.gz	QQJIMUGEOPHCDF-FPYSFBFNSA-N	-1	0	541.689	3.028	50	0	biogenic	KGAARM
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)NCC(=O)[O-])C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000009033627	553201730	/nfs/dbraw/zinc/20/17/30/553201730.db2.gz	QQJIMUGEOPHCDF-ZZUHWLSNSA-N	-1	0	541.689	3.028	50	0	biogenic	KGAARM
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C(=O)NCC(=O)[O-])C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000009033629	553201690	/nfs/dbraw/zinc/20/16/90/553201690.db2.gz	QQJIMUGEOPHCDF-KEXYTXGLSA-N	-1	0	541.689	3.028	50	0	biogenic	KGAARM
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(/NC(=O)c3ccccc3)C(=O)N[C@@H](C)C(=O)[O-])cc2)cc1	ZINC000009034233	553202066	/nfs/dbraw/zinc/20/20/66/553202066.db2.gz	HKFAXEKNJUMEAI-RPNTZMPASA-N	-1	0	508.552	3.123	50	0		KGAARM
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(/NC(=O)c3ccccc3)C(=O)N[C@H](C)C(=O)[O-])cc2)cc1	ZINC000009034234	553202106	/nfs/dbraw/zinc/20/21/06/553202106.db2.gz	HKFAXEKNJUMEAI-OZHVRZOASA-N	-1	0	508.552	3.123	50	0		KGAARM
NS(=O)(=O)c1ccc(CCNc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(Cl)c2)cc1	ZINC000009089678	553209087	/nfs/dbraw/zinc/20/90/87/553209087.db2.gz	NFIWIJLUPSHKGO-UHFFFAOYSA-N	-1	0	518.020	3.386	50	0		KGAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O	ZINC000009129078	553212993	/nfs/dbraw/zinc/21/29/93/553212993.db2.gz	QXCXHLOZDQZWRF-ZEQRLZLVSA-N	-1	0	502.571	3.229	50	0		KGAARM
Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCC(=O)N1CCC(C(=O)[O-])CC1)oc1c3CCCC1	ZINC000009129163	553213276	/nfs/dbraw/zinc/21/32/76/553213276.db2.gz	AUQHQEVBBHZWKE-UHFFFAOYSA-N	-1	0	508.571	3.489	50	0		KGAARM
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000009129222	553213225	/nfs/dbraw/zinc/21/32/25/553213225.db2.gz	RZPHYVCLOPETRD-SFTDATJTSA-N	-1	0	533.691	3.269	50	0		KGAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)CCC3CCCCC3)cc2)nc(OC)n1	ZINC000009191860	553218630	/nfs/dbraw/zinc/21/86/30/553218630.db2.gz	DDPDNKVVOTTXSE-UHFFFAOYSA-N	-1	0	507.638	3.468	50	0		KGAARM
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1	ZINC000009295445	553235433	/nfs/dbraw/zinc/23/54/33/553235433.db2.gz	WRJSDDSEQDOGOY-CVGPFBNFSA-N	-1	0	500.532	3.366	50	0		KGAARM
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1	ZINC000009295446	553235468	/nfs/dbraw/zinc/23/54/68/553235468.db2.gz	WRJSDDSEQDOGOY-LJJBLSSYSA-N	-1	0	500.532	3.366	50	0		KGAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Br)cc3)c(=O)c1=2)Nc1ccc(Br)cc1	ZINC000009319198	553241342	/nfs/dbraw/zinc/24/13/42/553241342.db2.gz	ZXRGPEPAPCLVSO-HZPDHXFCSA-N	-1	0	507.142	3.144	50	0		KGAARM
COc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c(=O)[n-]2)cc1	ZINC000009319304	553241349	/nfs/dbraw/zinc/24/13/49/553241349.db2.gz	FQALWWOAQRNQRJ-UHFFFAOYSA-N	-1	0	510.391	3.105	50	0		KGAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cccn(OCc2ccc(F)cc2)c1=O	ZINC000009489594	553273228	/nfs/dbraw/zinc/27/32/28/553273228.db2.gz	YWXQPKHKQATSSF-UHFFFAOYSA-N	-1	0	500.533	3.126	50	0		KGAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cccn(OCc2ccccc2F)c1=O	ZINC000009489596	553273286	/nfs/dbraw/zinc/27/32/86/553273286.db2.gz	FGJNIWXBORHJNF-UHFFFAOYSA-N	-1	0	500.533	3.126	50	0		KGAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nc4ccccc4o3)cc2)nc(OC)n1	ZINC000009601628	553286844	/nfs/dbraw/zinc/28/68/44/553286844.db2.gz	SFRPSTPOTSTDHA-UHFFFAOYSA-N	-1	0	501.546	3.167	50	0		KGAARM
CC(=O)N1CCc2c(sc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(C)cc3)c2C(N)=O)C1	ZINC000009639464	553292665	/nfs/dbraw/zinc/29/26/65/553292665.db2.gz	WIQLMWNRYUBSNN-UHFFFAOYSA-N	-1	0	512.613	3.113	50	0		KGAARM
Cn1ccnc1SCC(=O)c1cc(I)c([O-])c(I)c1	ZINC000009861060	553313991	/nfs/dbraw/zinc/31/39/91/553313991.db2.gz	QBDZLOJIIGXQHD-UHFFFAOYSA-N	-1	0	500.099	3.310	50	0		KGAARM
C[C@H](NC(=O)c1ccccc1Br)c1nnc(SCC(=O)Nc2cccc(C(=O)[O-])c2)n1C	ZINC000009944322	553319902	/nfs/dbraw/zinc/31/99/02/553319902.db2.gz	DNRBKBIRFDTCKZ-LBPRGKRZSA-N	-1	0	518.393	3.498	50	0		KGAARM
C[C@@H](NC(=O)c1ccccc1Br)c1nnc(SCC(=O)Nc2cccc(C(=O)[O-])c2)n1C	ZINC000009944323	553319822	/nfs/dbraw/zinc/31/98/22/553319822.db2.gz	DNRBKBIRFDTCKZ-GFCCVEGCSA-N	-1	0	518.393	3.498	50	0		KGAARM
C[C@@H]1CCc2nc3ccc(S(=O)(=O)N4CCC(C(=O)NCc5ccco5)CC4)cc3c(C(=O)[O-])c2C1	ZINC000009970031	553322311	/nfs/dbraw/zinc/32/23/11/553322311.db2.gz	ZPOZOHGUIKYSGU-MRXNPFEDSA-N	-1	0	511.600	3.368	50	0		KGAARM
C[C@H]1CCc2nc3ccc(S(=O)(=O)N4CCC(C(=O)NCc5ccco5)CC4)cc3c(C(=O)[O-])c2C1	ZINC000009970032	553322332	/nfs/dbraw/zinc/32/23/32/553322332.db2.gz	ZPOZOHGUIKYSGU-INIZCTEOSA-N	-1	0	511.600	3.368	50	0		KGAARM
CCOCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3nc4c(c(C(=O)[O-])c3c2)CCCCC4)CC1	ZINC000009970068	553322573	/nfs/dbraw/zinc/32/25/73/553322573.db2.gz	FOCPFKRHRANARN-UHFFFAOYSA-N	-1	0	517.648	3.145	50	0		KGAARM
Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@H](CCCNC(N)=O)C(=O)[O-])occ3-c1ccccc1	ZINC000011865602	553346664	/nfs/dbraw/zinc/34/66/64/553346664.db2.gz	FVVJDJCKYCXHRL-OAQYLSRUSA-N	-1	0	505.527	3.465	50	0		KGAARM
CCCC[C@@H](NC(=O)COc1ccc2c(CC)cc(=O)oc2c1C)C(=O)N[C@@H](CCSC)C(=O)[O-]	ZINC000011866860	553347110	/nfs/dbraw/zinc/34/71/10/553347110.db2.gz	ZRHZTLKPAUNJED-MOPGFXCFSA-N	-1	0	506.621	3.040	50	0		KGAARM
CCCC[C@H](NC(=O)COc1ccc2c(CC)cc(=O)oc2c1C)C(=O)N[C@@H](CCSC)C(=O)[O-]	ZINC000011866861	553347107	/nfs/dbraw/zinc/34/71/07/553347107.db2.gz	ZRHZTLKPAUNJED-OALUTQOASA-N	-1	0	506.621	3.040	50	0		KGAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)CCC(=O)OCCc3ccccc3)cc2)no1	ZINC000012136934	553351743	/nfs/dbraw/zinc/35/17/43/553351743.db2.gz	KXYMUYDOCFOSKW-UHFFFAOYSA-N	-1	0	516.601	3.163	50	0		KGAARM
O=C(CCC(=O)OCCc1ccccc1)NC(=S)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000012136938	553351632	/nfs/dbraw/zinc/35/16/32/553351632.db2.gz	ISPUQDTVYSJGQU-UHFFFAOYSA-N	-1	0	518.642	3.323	50	0		KGAARM
CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)o2)cc1	ZINC000012248203	553355487	/nfs/dbraw/zinc/35/54/87/553355487.db2.gz	JNOQOUFJFAJJFE-UHFFFAOYSA-N	-1	0	519.605	3.264	50	0		KGAARM
CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)N[C@@H](C)C45CC6CC(CC(C6)C4)C5)CC3)nc21	ZINC000012413826	553364721	/nfs/dbraw/zinc/36/47/21/553364721.db2.gz	MWORTJNDURFSFI-ZCZKMIILSA-N	-1	0	524.691	3.111	50	0		KGAARM
CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)N[C@H](C)C45CC6CC(CC(C6)C4)C5)CC3)nc21	ZINC000012413827	553364715	/nfs/dbraw/zinc/36/47/15/553364715.db2.gz	MWORTJNDURFSFI-UYTITELCSA-N	-1	0	524.691	3.111	50	0		KGAARM
CNS(=O)(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3OC)c2)ccc1Cl	ZINC000012508025	553382356	/nfs/dbraw/zinc/38/23/56/553382356.db2.gz	CUFMWISJFUSDAC-UHFFFAOYSA-N	-1	0	509.993	3.310	50	0		KGAARM
C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c3nccs3)cc1)C2=O	ZINC000012520840	553382543	/nfs/dbraw/zinc/38/25/43/553382543.db2.gz	UJEJDKPBVLHCLC-JLCFBVMHSA-N	-1	0	505.622	3.019	50	0		KGAARM
C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c3nccs3)cc1)C2=O	ZINC000012520841	553382552	/nfs/dbraw/zinc/38/25/52/553382552.db2.gz	UJEJDKPBVLHCLC-RCDICMHDSA-N	-1	0	505.622	3.019	50	0		KGAARM
C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c3nccs3)cc1)C2=O	ZINC000012520842	553382539	/nfs/dbraw/zinc/38/25/39/553382539.db2.gz	UJEJDKPBVLHCLC-PEBXRYMYSA-N	-1	0	505.622	3.019	50	0		KGAARM
C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c3nccs3)cc1)C2=O	ZINC000012520843	553382546	/nfs/dbraw/zinc/38/25/46/553382546.db2.gz	UJEJDKPBVLHCLC-FPTDNZKUSA-N	-1	0	505.622	3.019	50	0		KGAARM
CN(c1nc2ccccc2nc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1	ZINC000012523936	553383207	/nfs/dbraw/zinc/38/32/07/553383207.db2.gz	RTGVJMITPPBGNB-CYBMUJFWSA-N	-1	0	501.417	3.361	50	0		KGAARM
COc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3OC)c2)N2CCOCC2)cc1	ZINC000012526077	553383905	/nfs/dbraw/zinc/38/39/05/553383905.db2.gz	YGZWFXDMQJMXDQ-RUZDIDTESA-N	-1	0	525.627	3.308	50	0		KGAARM
COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3OC)c2)N2CCOCC2)cc1	ZINC000012526078	553383941	/nfs/dbraw/zinc/38/39/41/553383941.db2.gz	YGZWFXDMQJMXDQ-VWLOTQADSA-N	-1	0	525.627	3.308	50	0		KGAARM
COc1ccc(OC)c(CN2CCN(C(=O)c3cccc(S(=O)(=O)[N-]c4ccccc4OC)c3)CC2)c1	ZINC000012526134	553384136	/nfs/dbraw/zinc/38/41/36/553384136.db2.gz	RDWLDHUJCSIPAJ-UHFFFAOYSA-N	-1	0	525.627	3.471	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1	ZINC000012526202	553384186	/nfs/dbraw/zinc/38/41/86/553384186.db2.gz	NVSRTHYACGRLPD-UHFFFAOYSA-N	-1	0	509.584	3.183	50	0		KGAARM
CCOC(=O)CCCNC(=O)CSc1nc2cc(S(=O)(=O)[N-]c3ccccc3OC)ccc2o1	ZINC000012529054	553385038	/nfs/dbraw/zinc/38/50/38/553385038.db2.gz	CEIDQISQJSBYRW-UHFFFAOYSA-N	-1	0	507.590	3.189	50	0		KGAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1nn(Cc2ccccc2)c(=O)c2ccccc21	ZINC000012529534	553385590	/nfs/dbraw/zinc/38/55/90/553385590.db2.gz	IXAHDCRYEUYPBG-UHFFFAOYSA-N	-1	0	512.551	3.288	50	0		KGAARM
CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2C)cc1	ZINC000012529936	553385781	/nfs/dbraw/zinc/38/57/81/553385781.db2.gz	IUUPYVVEWMSESU-UHFFFAOYSA-N	-1	0	502.622	3.001	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)ccc1Cl	ZINC000012531435	553386383	/nfs/dbraw/zinc/38/63/83/553386383.db2.gz	DCOWXBLYVXOWMQ-HOTGVXAUSA-N	-1	0	503.964	3.039	50	0		KGAARM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)NC(=O)NC2CCCCC2)cc1	ZINC000012532615	553386748	/nfs/dbraw/zinc/38/67/48/553386748.db2.gz	RSSBNFNTAOJNKA-UHFFFAOYSA-N	-1	0	503.577	3.201	50	0		KGAARM
COc1ccc(C(=O)OCC(=O)NC(=O)NC2CCCCC2)cc1S(=O)(=O)[N-]c1ccc(C)cc1	ZINC000012538329	553388230	/nfs/dbraw/zinc/38/82/30/553388230.db2.gz	ZIKKHXYHJBFVJE-UHFFFAOYSA-N	-1	0	503.577	3.120	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)[C@@H]2COc3ccccc3O2)ccc1N1CCOCC1	ZINC000012542296	553390530	/nfs/dbraw/zinc/39/05/30/553390530.db2.gz	HNDXGDPXPPLKRN-DEOSSOPVSA-N	-1	0	525.583	3.111	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)[C@H]2COc3ccccc3O2)ccc1N1CCOCC1	ZINC000012542298	553390480	/nfs/dbraw/zinc/39/04/80/553390480.db2.gz	HNDXGDPXPPLKRN-XMMPIXPASA-N	-1	0	525.583	3.111	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1	ZINC000012548831	553392268	/nfs/dbraw/zinc/39/22/68/553392268.db2.gz	AWNWDCZNIIHYJF-DTQAZKPQSA-N	-1	0	515.613	3.398	50	0		KGAARM
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2OC)c(OC)c1	ZINC000012551538	553393207	/nfs/dbraw/zinc/39/32/07/553393207.db2.gz	BZRWMEBIYUYERD-UHFFFAOYSA-N	-1	0	511.600	3.476	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1C	ZINC000012562685	553395166	/nfs/dbraw/zinc/39/51/66/553395166.db2.gz	PGMSXWGSJSVMHH-UHFFFAOYSA-N	-1	0	503.602	3.307	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)ccc1C	ZINC000012563629	553395829	/nfs/dbraw/zinc/39/58/29/553395829.db2.gz	DGBWKGSWONPCRH-UHFFFAOYSA-N	-1	0	503.602	3.307	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)COc2ccccc2F)ccc1N1CCOCC1	ZINC000012573645	553398401	/nfs/dbraw/zinc/39/84/01/553398401.db2.gz	ALXNXLRMJCMXJB-UHFFFAOYSA-N	-1	0	515.563	3.489	50	0		KGAARM
CCOc1ncccc1C(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2ccccc2OC)c1	ZINC000012580844	553399074	/nfs/dbraw/zinc/39/90/74/553399074.db2.gz	FEZWKRNWYQEHDC-UHFFFAOYSA-N	-1	0	512.588	3.379	50	0		KGAARM
CCOC(=O)C1CCN(C(=O)COC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(C)ccc2C)CC1	ZINC000012582209	553399286	/nfs/dbraw/zinc/39/92/86/553399286.db2.gz	TVTSIESZXBBQMU-UHFFFAOYSA-N	-1	0	502.589	3.063	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)N[C@@H](C)CCc2ccccc2)c1	ZINC000012586710	553399643	/nfs/dbraw/zinc/39/96/43/553399643.db2.gz	NOZLNRJQJPPBNE-SFHVURJKSA-N	-1	0	512.584	3.496	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)N[C@H](C)CCc2ccccc2)c1	ZINC000012586713	553399681	/nfs/dbraw/zinc/39/96/81/553399681.db2.gz	NOZLNRJQJPPBNE-GOSISDBHSA-N	-1	0	512.584	3.496	50	0		KGAARM
O=C(COc1ccc2c(c1)occ(-c1ccc3c(c1)OCCO3)c2=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000012654668	553410408	/nfs/dbraw/zinc/41/04/08/553410408.db2.gz	ILIIIYWMESFEKC-QFIPXVFZSA-N	-1	0	501.491	3.422	50	0	biogenic	KGAARM
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-]	ZINC000012659229	553411302	/nfs/dbraw/zinc/41/13/02/553411302.db2.gz	PPECFUNMFLWSTN-GXAPCQQTSA-N	-1	0	501.620	3.257	50	0	biogenic	KGAARM
Cc1c(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3)c2)c(=O)n(-c2ccccc2)n1C	ZINC000012694072	553413170	/nfs/dbraw/zinc/41/31/70/553413170.db2.gz	DDUSSNQCKUCGME-UHFFFAOYSA-N	-1	0	506.540	3.236	50	0		KGAARM
CN(CC(=O)Nc1nnc(SCc2ccc(C(=O)[O-])cc2)s1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000012699772	553413343	/nfs/dbraw/zinc/41/33/43/553413343.db2.gz	JRGLPDMKINAMFP-UHFFFAOYSA-N	-1	0	513.022	3.441	50	0		KGAARM
CC(C)[C@H](NC(=O)C1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000012865083	553423335	/nfs/dbraw/zinc/42/33/35/553423335.db2.gz	ZEUPDQHWXDSIGM-VXKWHMMOSA-N	-1	0	514.623	3.068	50	0	biogenic	KGAARM
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1	ZINC000012866139	553423481	/nfs/dbraw/zinc/42/34/81/553423481.db2.gz	OFCYDDAWWJZLLV-VSDWSMLSSA-N	-1	0	528.650	3.458	50	0	biogenic	KGAARM
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1	ZINC000012866147	553423497	/nfs/dbraw/zinc/42/34/97/553423497.db2.gz	OFCYDDAWWJZLLV-RTFZILSDSA-N	-1	0	528.650	3.458	50	0	biogenic	KGAARM
CCCCC[C@H](NC(=O)C1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)CC)CC1)C(=O)[O-]	ZINC000012866378	553423462	/nfs/dbraw/zinc/42/34/62/553423462.db2.gz	UUAVMBKARKYBOV-VJBMBRPKSA-N	-1	0	523.696	3.076	50	0	biogenic	KGAARM
CCCCC[C@H](NC(=O)C1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)CC)CC1)C(=O)[O-]	ZINC000012866385	553423486	/nfs/dbraw/zinc/42/34/86/553423486.db2.gz	UUAVMBKARKYBOV-OIBXWCBGSA-N	-1	0	523.696	3.076	50	0	biogenic	KGAARM
CC[C@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C)C(=O)[O-]	ZINC000012869701	553423875	/nfs/dbraw/zinc/42/38/75/553423875.db2.gz	CUTOLBXTRSOVQN-LMKMVOKYSA-N	-1	0	508.571	3.111	50	0	biogenic	KGAARM
CC[C@@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000012870921	553424031	/nfs/dbraw/zinc/42/40/31/553424031.db2.gz	VEWJVIDJCZGNJZ-VSDWSMLSSA-N	-1	0	528.650	3.458	50	0	biogenic	KGAARM
CC[C@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000012870926	553423942	/nfs/dbraw/zinc/42/39/42/553423942.db2.gz	VEWJVIDJCZGNJZ-RTFZILSDSA-N	-1	0	528.650	3.458	50	0	biogenic	KGAARM
COc1ccc2c(C)c(CC(=O)N[C@@H](C(=O)NCCCCCC(=O)[O-])c3ccccc3)c(=O)oc2c1OC	ZINC000012881638	553425685	/nfs/dbraw/zinc/42/56/85/553425685.db2.gz	BRGUTFVBNOTXJB-XMMPIXPASA-N	-1	0	524.570	3.280	50	0	biogenic	KGAARM
COc1ccc2c(C)c(CCC(=O)N[C@@H](C(=O)N[C@H](C(=O)[O-])C(C)C)c3ccccc3)c(=O)oc2c1C	ZINC000012882012	553425668	/nfs/dbraw/zinc/42/56/68/553425668.db2.gz	FVMFAHOQBBJOKK-BJKOFHAPSA-N	-1	0	508.571	3.434	50	0	biogenic	KGAARM
CC(C)[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000012882580	553425624	/nfs/dbraw/zinc/42/56/24/553425624.db2.gz	LAFKIFLHLLIPDU-RTWAWAEBSA-N	-1	0	503.640	3.322	50	0	biogenic	KGAARM
CC[C@@H](NC(=O)Cc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)[O-]	ZINC000012882837	553425816	/nfs/dbraw/zinc/42/58/16/553425816.db2.gz	UOBJQMIMYDLHEC-NHCUHLMSSA-N	-1	0	528.989	3.321	50	0	biogenic	KGAARM
CC(C)[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000012883046	553425736	/nfs/dbraw/zinc/42/57/36/553425736.db2.gz	LFVHVVWRGMVCMW-LEWJYISDSA-N	-1	0	501.624	3.172	50	0	biogenic	KGAARM
CSCC[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000012884686	553426005	/nfs/dbraw/zinc/42/60/05/553426005.db2.gz	GOGBISIOENUUHM-SFTDATJTSA-N	-1	0	533.691	3.269	50	0	biogenic	KGAARM
CSCC[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000012886304	553426155	/nfs/dbraw/zinc/42/61/55/553426155.db2.gz	GOGBISIOENUUHM-RTWAWAEBSA-N	-1	0	533.691	3.269	50	0	biogenic	KGAARM
CSCC[C@@H](NC(=O)[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(C)C)C(=O)[O-]	ZINC000012886712	553426194	/nfs/dbraw/zinc/42/61/94/553426194.db2.gz	YOHLJEZFGKWWJR-RTWAWAEBSA-N	-1	0	535.707	3.419	50	0	biogenic	KGAARM
CC(C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000012886800	553426193	/nfs/dbraw/zinc/42/61/93/553426193.db2.gz	CTGNVMNVILHHPU-UXHICEINSA-N	-1	0	519.664	3.082	50	0	biogenic	KGAARM
CC(C)[C@H](NC(=O)[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(C)C)C(=O)[O-]	ZINC000012886963	553426225	/nfs/dbraw/zinc/42/62/25/553426225.db2.gz	LAFKIFLHLLIPDU-SFTDATJTSA-N	-1	0	503.640	3.322	50	0	biogenic	KGAARM
CC[C@H](C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000012887007	553426189	/nfs/dbraw/zinc/42/61/89/553426189.db2.gz	HWBGFFWOIMDWJA-TYPHKJRUSA-N	-1	0	533.691	3.472	50	0	biogenic	KGAARM
CC(C)C[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000012887009	553426247	/nfs/dbraw/zinc/42/62/47/553426247.db2.gz	IAGCYIUHTJNDNX-NHCUHLMSSA-N	-1	0	533.691	3.472	50	0	biogenic	KGAARM
CC(C)[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000012888148	553426354	/nfs/dbraw/zinc/42/63/54/553426354.db2.gz	CTGNVMNVILHHPU-WOJBJXKFSA-N	-1	0	519.664	3.082	50	0	biogenic	KGAARM
CSCC[C@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)NCCC(=O)[O-]	ZINC000012888824	553426530	/nfs/dbraw/zinc/42/65/30/553426530.db2.gz	LJSQKJRHHNTVSV-IBGZPJMESA-N	-1	0	502.589	3.144	50	0	biogenic	KGAARM
Cc1ccc(-c2coc3cc4oc(=O)c(CC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])c(C)c4cc32)cc1	ZINC000012889115	553426496	/nfs/dbraw/zinc/42/64/96/553426496.db2.gz	IRNWXCAQIUDYCF-NRFANRHFSA-N	-1	0	505.527	3.383	50	0	biogenic	KGAARM
CSC[C@@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)NCCCC(=O)[O-]	ZINC000012889942	553426532	/nfs/dbraw/zinc/42/65/32/553426532.db2.gz	IQEALOPGCNPOOG-LJQANCHMSA-N	-1	0	502.589	3.144	50	0	biogenic	KGAARM
Cc1ccc(S(=O)(=O)[N-]C(=O)NCCNC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)cc1	ZINC000012954973	553429357	/nfs/dbraw/zinc/42/93/57/553429357.db2.gz	AFEHFKYGCFYNCU-UHFFFAOYSA-N	-1	0	557.469	3.295	50	0		KGAARM
CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cn3c(=O)c4ccc(C(=O)OC)cc4[n-]c3=S)cc2)C1	ZINC000013118825	553449119	/nfs/dbraw/zinc/44/91/19/553449119.db2.gz	YQUXSQSHLVNOFZ-LJQANCHMSA-N	-1	0	509.584	3.309	50	0		KGAARM
CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(Cn3c(=O)c4ccc(C(=O)OC)cc4[n-]c3=S)cc2)C1	ZINC000013118826	553449151	/nfs/dbraw/zinc/44/91/51/553449151.db2.gz	YQUXSQSHLVNOFZ-IBGZPJMESA-N	-1	0	509.584	3.309	50	0		KGAARM
O=S(=O)([N-]c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1cccc(Cl)c1Cl	ZINC000013131862	553451404	/nfs/dbraw/zinc/45/14/04/553451404.db2.gz	CNTGOUDVNHYVQP-UHFFFAOYSA-N	-1	0	520.460	3.415	50	0		KGAARM
COc1ccc(NC(=O)CCc2nc(=O)c3ccccc3n2C)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000013132162	553451685	/nfs/dbraw/zinc/45/16/85/553451685.db2.gz	JKMZTKPVGONKSL-UHFFFAOYSA-N	-1	0	510.547	3.453	50	0		KGAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(S(C)(=O)=O)ccc3C)ccc2OC)cc1	ZINC000013148434	553455815	/nfs/dbraw/zinc/45/58/15/553455815.db2.gz	DISPTIZXBCAYIN-UHFFFAOYSA-N	-1	0	504.586	3.469	50	0		KGAARM
COC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(Cl)c(OC)cc3OC)c2)CC1	ZINC000013148435	553455777	/nfs/dbraw/zinc/45/57/77/553455777.db2.gz	OPAWMXPGEAKRAJ-UHFFFAOYSA-N	-1	0	510.996	3.492	50	0		KGAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nc4sc(C)c(C)c4c(=O)[nH]3)cc2)no1	ZINC000013545157	553469733	/nfs/dbraw/zinc/46/97/33/553469733.db2.gz	WKBFYEBRQDTVEB-UHFFFAOYSA-N	-1	0	505.603	3.429	50	0		KGAARM
O=c1[nH]c(=O)n(C2CCCCC2)c([O-])c1[C@@H]1c2ccccc2Oc2[nH]c(=O)n(C3CCCCC3)c(=O)c21	ZINC000013554344	553471089	/nfs/dbraw/zinc/47/10/89/553471089.db2.gz	RLRFJHSOBZXZOT-IBGZPJMESA-N	-1	0	506.559	3.389	50	0		KGAARM
O=c1[nH]c(=O)n(C2CCCCC2)c([O-])c1[C@H]1c2ccccc2Oc2[nH]c(=O)n(C3CCCCC3)c(=O)c21	ZINC000013554346	553471118	/nfs/dbraw/zinc/47/11/18/553471118.db2.gz	RLRFJHSOBZXZOT-LJQANCHMSA-N	-1	0	506.559	3.389	50	0		KGAARM
CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000013576534	553475069	/nfs/dbraw/zinc/47/50/69/553475069.db2.gz	ZEQRDGHADVBVNX-LEWJYISDSA-N	-1	0	501.624	3.172	50	0		KGAARM
Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC(C(=O)NCCCC(=O)[O-])CC1)oc1c3CCCC1	ZINC000013576656	553475135	/nfs/dbraw/zinc/47/51/35/553475135.db2.gz	HUFCODDLEFVWCC-UHFFFAOYSA-N	-1	0	508.571	3.489	50	0		KGAARM
CCCCn1c([O-])c([C@@H]2c3cc(Cl)cc(Cl)c3Oc3[nH]c(=O)n(CCCC)c(=O)c32)c(=O)[nH]c1=O	ZINC000013576679	553475137	/nfs/dbraw/zinc/47/51/37/553475137.db2.gz	PFEMFISCRWIGCS-AWEZNQCLSA-N	-1	0	523.373	3.285	50	0		KGAARM
CCCCn1c([O-])c([C@H]2c3cc(Cl)cc(Cl)c3Oc3[nH]c(=O)n(CCCC)c(=O)c32)c(=O)[nH]c1=O	ZINC000013576682	553475131	/nfs/dbraw/zinc/47/51/31/553475131.db2.gz	PFEMFISCRWIGCS-CQSZACIVSA-N	-1	0	523.373	3.285	50	0		KGAARM
CSCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000013577176	553475175	/nfs/dbraw/zinc/47/51/75/553475175.db2.gz	RZPHYVCLOPETRD-RTWAWAEBSA-N	-1	0	533.691	3.269	50	0		KGAARM
COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)N3CCc4cc(OC)c(OC)cc4C3)cs2)cc1	ZINC000013725129	553486911	/nfs/dbraw/zinc/48/69/11/553486911.db2.gz	VMAHENSBUFDESY-UHFFFAOYSA-N	-1	0	503.602	3.097	50	0		KGAARM
Cc1ccc(S(=O)(=O)[N-]C(=O)N(O)[C@@H]2N(Cc3ccc4c(c3)OCO4)C(=S)SC2(C)C)cc1	ZINC000013739580	553487322	/nfs/dbraw/zinc/48/73/22/553487322.db2.gz	ZXEUMYVZCIMPHY-SFHVURJKSA-N	-1	0	509.631	3.452	50	0		KGAARM
CCCCOC(=O)COC(=O)c1cc(I)c([O-])c(I)c1	ZINC000013756572	553488298	/nfs/dbraw/zinc/48/82/98/553488298.db2.gz	VJGUVFUMVMCERS-UHFFFAOYSA-N	-1	0	504.058	3.102	50	0		KGAARM
CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccccc3NC(C)=O)c(=O)[n-]1)CCC2	ZINC000013942936	553496882	/nfs/dbraw/zinc/49/68/82/553496882.db2.gz	DDEUPDXCASZYCL-UHFFFAOYSA-N	-1	0	513.601	3.248	50	0		KGAARM
C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1C[C@H](C)C[C@@H](C)C1	ZINC000014357159	553512300	/nfs/dbraw/zinc/51/23/00/553512300.db2.gz	IAPPRJDNITWNHW-KZNAEPCWSA-N	-1	0	502.589	3.308	50	0		KGAARM
C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1C[C@H](C)C[C@H](C)C1	ZINC000014357164	553512315	/nfs/dbraw/zinc/51/23/15/553512315.db2.gz	IAPPRJDNITWNHW-FGTMMUONSA-N	-1	0	502.589	3.308	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3nc[nH]n3)C2=O)c1	ZINC000014360249	1059085080	/nfs/dbraw/zinc/08/50/80/1059085080.db2.gz	SJOXPRXJPIQFEP-XSFVSMFZSA-N	-1	0	516.539	3.254	50	0		KGAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2OC)cc1	ZINC000014361430	553514504	/nfs/dbraw/zinc/51/45/04/553514504.db2.gz	XHPRFWCFEVPSER-PMACEKPBSA-N	-1	0	515.588	3.008	50	0		KGAARM
CCn1nc(C(=O)Nc2ccc(OC)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)c2ccccc2c1=O	ZINC000014361468	553514601	/nfs/dbraw/zinc/51/46/01/553514601.db2.gz	PCNXPALHKJVCLL-UHFFFAOYSA-N	-1	0	508.556	3.487	50	0		KGAARM
O=C([O-])CCOCCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000014632673	553519009	/nfs/dbraw/zinc/51/90/09/553519009.db2.gz	TWQTXZPTZPOEEB-UHFFFAOYSA-N	-1	0	531.602	3.083	50	0		KGAARM
CCOc1ccc(CCNC(=O)CSc2nc3c(-c4ccc(F)cc4)c[n-]n3c(=O)n2)cc1OCC	ZINC000015107327	553528019	/nfs/dbraw/zinc/52/80/19/553528019.db2.gz	REZAGTUGNVVXKT-UHFFFAOYSA-N	-1	0	511.579	3.472	50	0		KGAARM
Cc1cc(N=c2n(Cc3ccccc3)c3ccccc3n2[C@@]2(O)C(=O)[N-]C(=O)NC2=O)n(-c2ccccc2)n1	ZINC000015911181	1059138466	/nfs/dbraw/zinc/13/84/66/1059138466.db2.gz	JWNIWRXIGKRRIQ-UHFFFAOYSA-N	-1	0	521.537	3.069	50	0		KGAARM
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2O)cc1	ZINC000015912074	553541478	/nfs/dbraw/zinc/54/14/78/553541478.db2.gz	CNZVLQSIZODHBF-UHFFFAOYSA-N	-1	0	506.558	3.179	50	0		KGAARM
CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CNC(=O)c3ccccc3F)ccc2OC)cc1	ZINC000015912634	553541624	/nfs/dbraw/zinc/54/16/24/553541624.db2.gz	AUBMHSJLMSNIGU-UHFFFAOYSA-N	-1	0	501.536	3.402	50	0		KGAARM
COC(=O)c1c2c(sc1NC(=S)N[N-]S(=O)(=O)c1ccc(OC)cc1OC)CCCCCC2	ZINC000015919320	553542269	/nfs/dbraw/zinc/54/22/69/553542269.db2.gz	PEQLXURWEXIQKG-UHFFFAOYSA-N	-1	0	513.663	3.391	50	0		KGAARM
COc1cc(C(=O)N/C(=C/c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc(OC)c1OC	ZINC000015937187	553543063	/nfs/dbraw/zinc/54/30/63/553543063.db2.gz	NPLTVBRBMUDDJB-JFLYLQGUSA-N	-1	0	522.529	3.435	50	0	biogenic	KGAARM
COc1cc(C(=O)N/C(=C/c2ccc(F)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc(OC)c1OC	ZINC000015937188	553543075	/nfs/dbraw/zinc/54/30/75/553543075.db2.gz	NPLTVBRBMUDDJB-MUIAGPEESA-N	-1	0	522.529	3.435	50	0	biogenic	KGAARM
CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000015959163	553546575	/nfs/dbraw/zinc/54/65/75/553546575.db2.gz	JXLKCKHEADTSCK-MKUOGADSSA-N	-1	0	528.609	3.244	50	0	biogenic	KGAARM
CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000015959164	553546548	/nfs/dbraw/zinc/54/65/48/553546548.db2.gz	JXLKCKHEADTSCK-SKVMEHKPSA-N	-1	0	528.609	3.244	50	0	biogenic	KGAARM
CC(C)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(C)C)C(=O)[O-]	ZINC000015959233	553546551	/nfs/dbraw/zinc/54/65/51/553546551.db2.gz	YRUZFCZMMJUAFN-LYGMZBLVSA-N	-1	0	516.598	3.004	50	0	biogenic	KGAARM
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(C)C)C(=O)[O-]	ZINC000015959234	553546549	/nfs/dbraw/zinc/54/65/49/553546549.db2.gz	YRUZFCZMMJUAFN-KELBGUDLSA-N	-1	0	516.598	3.004	50	0	biogenic	KGAARM
CC(C)[C@@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000015959236	553546684	/nfs/dbraw/zinc/54/66/84/553546684.db2.gz	YRUZFCZMMJUAFN-ONTNHIFESA-N	-1	0	516.598	3.004	50	0		KGAARM
CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000015959255	553546788	/nfs/dbraw/zinc/54/67/88/553546788.db2.gz	KNIMEWWMESSRKF-GETZDKOCSA-N	-1	0	530.625	3.394	50	0	biogenic	KGAARM
CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000015959256	553546778	/nfs/dbraw/zinc/54/67/78/553546778.db2.gz	KNIMEWWMESSRKF-XZWODLHVSA-N	-1	0	530.625	3.394	50	0	biogenic	KGAARM
CC(C)C[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(C)C)C(=O)[O-]	ZINC000015959353	553546750	/nfs/dbraw/zinc/54/67/50/553546750.db2.gz	CKWOHVUSCDADFR-DDRRAVBJSA-N	-1	0	530.625	3.394	50	0	biogenic	KGAARM
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(C)C)C(=O)[O-]	ZINC000015959354	553546786	/nfs/dbraw/zinc/54/67/86/553546786.db2.gz	CKWOHVUSCDADFR-JAYJDBRPSA-N	-1	0	530.625	3.394	50	0	biogenic	KGAARM
CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(C)C)C(=O)[O-]	ZINC000015959506	553546727	/nfs/dbraw/zinc/54/67/27/553546727.db2.gz	MCXFLSYAJJLCEY-GETZDKOCSA-N	-1	0	530.625	3.394	50	0	biogenic	KGAARM
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(C)C)C(=O)[O-]	ZINC000015959507	553546726	/nfs/dbraw/zinc/54/67/26/553546726.db2.gz	MCXFLSYAJJLCEY-XZWODLHVSA-N	-1	0	530.625	3.394	50	0	biogenic	KGAARM
CC(C)C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000015959823	553546927	/nfs/dbraw/zinc/54/69/27/553546927.db2.gz	JYLPFANNGTZEQO-JAYJDBRPSA-N	-1	0	530.625	3.394	50	0	biogenic	KGAARM
CC(C)C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000015968399	553547174	/nfs/dbraw/zinc/54/71/74/553547174.db2.gz	CFUNPOBDQKNWHN-CONSUNNSSA-N	-1	0	528.609	3.244	50	0	biogenic	KGAARM
C[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000015970349	553547561	/nfs/dbraw/zinc/54/75/61/553547561.db2.gz	LBKKXZHONYYZHI-YKSBVNFPSA-N	-1	0	535.641	3.498	50	0	biogenic	KGAARM
C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000015970351	553547556	/nfs/dbraw/zinc/54/75/56/553547556.db2.gz	LBKKXZHONYYZHI-RDPSFJRHSA-N	-1	0	535.641	3.498	50	0		KGAARM
CCC[C@@H](NC(=O)Cc1c(C)c2cc(Cl)c(OC)cc2oc1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000015970760	553547569	/nfs/dbraw/zinc/54/75/69/553547569.db2.gz	QCVIPUOULRSXHG-RTWAWAEBSA-N	-1	0	528.989	3.403	50	0		KGAARM
CCC[C@H](NC(=O)Cc1c(C)c2cc(Cl)c(OC)cc2oc1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000015970762	553547617	/nfs/dbraw/zinc/54/76/17/553547617.db2.gz	QCVIPUOULRSXHG-SFTDATJTSA-N	-1	0	528.989	3.403	50	0		KGAARM
CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2CC)cc1	ZINC000015978753	553548168	/nfs/dbraw/zinc/54/81/68/553548168.db2.gz	VXLSGYFZOFYWHK-UHFFFAOYSA-N	-1	0	516.649	3.484	50	0		KGAARM
CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccccc2C(=O)OC)c1	ZINC000015979732	553548328	/nfs/dbraw/zinc/54/83/28/553548328.db2.gz	HFUVCEMLJDZXSK-UHFFFAOYSA-N	-1	0	504.586	3.498	50	0		KGAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21	ZINC000016026280	553551399	/nfs/dbraw/zinc/55/13/99/553551399.db2.gz	SNLRJQAMDJQTCX-BJKOFHAPSA-N	-1	0	525.565	3.059	50	0	biogenic	KGAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21	ZINC000016026283	553551345	/nfs/dbraw/zinc/55/13/45/553551345.db2.gz	SNLRJQAMDJQTCX-ZEQRLZLVSA-N	-1	0	525.565	3.059	50	0	biogenic	KGAARM
COc1cc2oc(=O)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](C(=O)[O-])C(C)C)c(C)c2cc1Cl	ZINC000016033194	553551575	/nfs/dbraw/zinc/55/15/75/553551575.db2.gz	NWIGATMZWHSNPY-RDPSFJRHSA-N	-1	0	528.989	3.259	50	0		KGAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=S)Nc3ccc(OC)c(OC)c3)cc2)nc(OC)n1	ZINC000016346467	553560658	/nfs/dbraw/zinc/56/06/58/553560658.db2.gz	OWGOQORZIOCGNX-UHFFFAOYSA-N	-1	0	505.578	3.121	50	0		KGAARM
CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C)cc1	ZINC000016383657	553561744	/nfs/dbraw/zinc/56/17/44/553561744.db2.gz	HTFFTFTWXSFVEA-UHFFFAOYSA-N	-1	0	508.651	3.062	50	0		KGAARM
Cc1nc([N-]S(=O)(=O)c2ccccc2)sc1NC(=O)OCCNS(=O)(=O)c1ccc(C)cc1	ZINC000016393896	553562309	/nfs/dbraw/zinc/56/23/09/553562309.db2.gz	LDBWSGPRIIXYBP-UHFFFAOYSA-N	-1	0	510.619	3.088	50	0		KGAARM
COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)cc2)c(Br)cc1OCC(=O)[O-]	ZINC000016447722	553564735	/nfs/dbraw/zinc/56/47/35/553564735.db2.gz	ZNUFQSVYHVTDNX-IBGZPJMESA-N	-1	0	508.300	3.327	50	0		KGAARM
COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)cc2)c(Br)cc1OCC(=O)[O-]	ZINC000016447724	553564746	/nfs/dbraw/zinc/56/47/46/553564746.db2.gz	ZNUFQSVYHVTDNX-LJQANCHMSA-N	-1	0	508.300	3.327	50	0		KGAARM
CCCCn1c([O-])c([C@@H]2c3cc(Cl)cc(OC)c3Oc3[nH]c(=O)n(CCCC)c(=O)c32)c(=O)[nH]c1=O	ZINC000017015092	553586566	/nfs/dbraw/zinc/58/65/66/553586566.db2.gz	HSLIZAJGFJQNNH-HNNXBMFYSA-N	-1	0	518.954	3.053	50	0		KGAARM
CCCCn1c([O-])c([C@H]2c3cc(Cl)cc(OC)c3Oc3[nH]c(=O)n(CCCC)c(=O)c32)c(=O)[nH]c1=O	ZINC000017015095	553586535	/nfs/dbraw/zinc/58/65/35/553586535.db2.gz	HSLIZAJGFJQNNH-OAHLLOKOSA-N	-1	0	518.954	3.053	50	0		KGAARM
CC(C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000017045662	553587395	/nfs/dbraw/zinc/58/73/95/553587395.db2.gz	ZPYOAQNUBHWSFW-XWGVYQGASA-N	-1	0	519.602	3.497	50	0	biogenic	KGAARM
Cc1cccc(COn2cccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)c2=O)c1	ZINC000017122953	553588239	/nfs/dbraw/zinc/58/82/39/553588239.db2.gz	JZJLXPORXUPTQC-UHFFFAOYSA-N	-1	0	519.583	3.245	50	0		KGAARM
COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c([O-])[nH]c(=S)n(-c2cc(OC)c(OC)c(OC)c2)c1=O	ZINC000017138505	553588739	/nfs/dbraw/zinc/58/87/39/553588739.db2.gz	ZEDIXYMNLUJLNI-KRWDZBQOSA-N	-1	0	502.501	3.316	50	0	biogenic	KGAARM
COc1ccc2c(c1OC)C(=O)O[C@H]2c1c([O-])[nH]c(=S)n(-c2cc(OC)c(OC)c(OC)c2)c1=O	ZINC000017138507	553588682	/nfs/dbraw/zinc/58/86/82/553588682.db2.gz	ZEDIXYMNLUJLNI-QGZVFWFLSA-N	-1	0	502.501	3.316	50	0	biogenic	KGAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3ccc(COc4cccc(Cl)c4Cl)o3)[C@@H]2SC1	ZINC000017356892	553593913	/nfs/dbraw/zinc/59/39/13/553593913.db2.gz	DIEHFKDYXISRFK-UWJYYQICSA-N	-1	0	541.365	3.081	50	0		KGAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3ccc(COc4cccc(Cl)c4Cl)o3)[C@H]2SC1	ZINC000017356894	553593910	/nfs/dbraw/zinc/59/39/10/553593910.db2.gz	DIEHFKDYXISRFK-LAUBAEHRSA-N	-1	0	541.365	3.081	50	0		KGAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3ccc(COc4cccc(Cl)c4Cl)o3)[C@@H]2SC1	ZINC000017356896	553593979	/nfs/dbraw/zinc/59/39/79/553593979.db2.gz	DIEHFKDYXISRFK-UTKZUKDTSA-N	-1	0	541.365	3.081	50	0		KGAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3ccc(COc4cccc(Cl)c4Cl)o3)[C@H]2SC1	ZINC000017356898	553593882	/nfs/dbraw/zinc/59/38/82/553593882.db2.gz	DIEHFKDYXISRFK-DYESRHJHSA-N	-1	0	541.365	3.081	50	0		KGAARM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)NC(=O)c4ccc(Br)cc4)CC3)cc21	ZINC000017357266	553594605	/nfs/dbraw/zinc/59/46/05/553594605.db2.gz	GSFVYQNRFITLTB-UHFFFAOYSA-N	-1	0	561.433	3.458	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2cc(=O)[nH]c3ccccc32)ccc1N1CCOCC1	ZINC000017527590	553597065	/nfs/dbraw/zinc/59/70/65/553597065.db2.gz	AFXNAWKWJGHDFJ-UHFFFAOYSA-N	-1	0	534.594	3.426	50	0		KGAARM
CN(C)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NCCCCCC(=O)[O-])n2-c2ccc(F)cc2)c1	ZINC000017546291	553597678	/nfs/dbraw/zinc/59/76/78/553597678.db2.gz	CKMDQIBLNGAZCI-UHFFFAOYSA-N	-1	0	549.650	3.177	50	0		KGAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)C12C[C@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2	ZINC000018083153	553603772	/nfs/dbraw/zinc/60/37/72/553603772.db2.gz	OKKRQDMMOSHXRI-IWENEADUSA-N	-1	0	514.011	3.457	50	0		KGAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Br)c3)c(=O)c1=2)Nc1ccc(Br)cc1	ZINC000018162411	553606567	/nfs/dbraw/zinc/60/65/67/553606567.db2.gz	GSNKBBNTKMHZDV-HOTGVXAUSA-N	-1	0	507.142	3.144	50	0		KGAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nc(-c4ccccc4)cc(=O)[nH]3)cc2)n1	ZINC000018254495	553611611	/nfs/dbraw/zinc/61/16/11/553611611.db2.gz	FWWBBJITWXULEM-UHFFFAOYSA-N	-1	0	508.585	3.067	50	0		KGAARM
Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000019811610	553618742	/nfs/dbraw/zinc/61/87/42/553618742.db2.gz	AZTPZRJEONDEBB-UHFFFAOYSA-N	-1	0	516.630	3.382	50	0		KGAARM
CCCCCC(=O)N1CCN(CCn2c(=O)cc3[n-]n(-c4nc5ccccc5s4)c(=O)c3c2C)CC1	ZINC000019857639	553628675	/nfs/dbraw/zinc/62/86/75/553628675.db2.gz	PWDYNBQZRITTAZ-UHFFFAOYSA-N	-1	0	508.648	3.123	50	0		KGAARM
CCN(CCCNC(=O)CC[C@@H]1N=C2c3cc(OC)c(OC)cc3[N-]C(=S)N2C1=O)c1ccccc1	ZINC000020234094	553619940	/nfs/dbraw/zinc/61/99/40/553619940.db2.gz	YGTHPNOENBDPML-IBGZPJMESA-N	-1	0	509.632	3.185	50	0		KGAARM
CCN(CCCNC(=O)CC[C@H]1N=C2c3cc(OC)c(OC)cc3[N-]C(=S)N2C1=O)c1ccccc1	ZINC000020234098	553619949	/nfs/dbraw/zinc/61/99/49/553619949.db2.gz	YGTHPNOENBDPML-LJQANCHMSA-N	-1	0	509.632	3.185	50	0		KGAARM
CCOCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3nc4c(c(C(=O)[O-])c3c2)C[C@H](C)CC4)CC1	ZINC000020355706	553642008	/nfs/dbraw/zinc/64/20/08/553642008.db2.gz	MCRJYTHTAWOBSU-QGZVFWFLSA-N	-1	0	517.648	3.001	50	0		KGAARM
CCOCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3nc4c(c(C(=O)[O-])c3c2)C[C@@H](C)CC4)CC1	ZINC000020355707	553641920	/nfs/dbraw/zinc/64/19/20/553641920.db2.gz	MCRJYTHTAWOBSU-KRWDZBQOSA-N	-1	0	517.648	3.001	50	0		KGAARM
CC(C)OCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3nc4c(c(C(=O)[O-])c3c2)C[C@H](C)CC4)CC1	ZINC000020355710	553641996	/nfs/dbraw/zinc/64/19/96/553641996.db2.gz	LGQSMCSYHFLDKD-GOSISDBHSA-N	-1	0	531.675	3.390	50	0		KGAARM
CC(C)OCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3nc4c(c(C(=O)[O-])c3c2)C[C@@H](C)CC4)CC1	ZINC000020355711	553641998	/nfs/dbraw/zinc/64/19/98/553641998.db2.gz	LGQSMCSYHFLDKD-SFHVURJKSA-N	-1	0	531.675	3.390	50	0		KGAARM
COc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[n-]1	ZINC000020355891	553641979	/nfs/dbraw/zinc/64/19/79/553641979.db2.gz	UDWPPSZEGRDWKH-UHFFFAOYSA-N	-1	0	510.391	3.105	50	0		KGAARM
COc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c(=O)[n-]2)c1	ZINC000020355892	553641962	/nfs/dbraw/zinc/64/19/62/553641962.db2.gz	HHGUWQCEYBSWLS-UHFFFAOYSA-N	-1	0	510.391	3.105	50	0		KGAARM
CCCCCC(=O)N1CCN(CCn2c(=O)cc3[n-]n(-c4nc5ccccc5s4)c(=O)c3c2CC)CC1	ZINC000020388027	553644405	/nfs/dbraw/zinc/64/44/05/553644405.db2.gz	DOHFLWLWKAJPRF-UHFFFAOYSA-N	-1	0	522.675	3.377	50	0		KGAARM
Cc1nccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@]3(C)CC3(Br)Br)cc2)n1	ZINC000020427150	553648028	/nfs/dbraw/zinc/64/80/28/553648028.db2.gz	WOKBMIFHQIUSND-HNNXBMFYSA-N	-1	0	504.204	3.420	50	0		KGAARM
COc1ccc(CCNC(=O)c2ccc3c(c2)[n-]c(=S)n(CCCN2CCCC2=O)c3=O)cc1OC	ZINC000020643637	553683453	/nfs/dbraw/zinc/68/34/53/553683453.db2.gz	VOVCCVNPAQMFAB-UHFFFAOYSA-N	-1	0	510.616	3.061	50	0		KGAARM
CCOCCCn1c(=O)c2ccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2[n-]c1=S	ZINC000020644016	553683717	/nfs/dbraw/zinc/68/37/17/553683717.db2.gz	CURRSPVIXPIPBI-UHFFFAOYSA-N	-1	0	510.616	3.172	50	0		KGAARM
O=C(CCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)NCCCN1CCN(c2ccccc2F)CC1	ZINC000020644441	553684582	/nfs/dbraw/zinc/68/45/82/553684582.db2.gz	QJTOOLAMYJGTAS-UHFFFAOYSA-N	-1	0	527.622	3.036	50	0		KGAARM
O=C(CCCCCn1c(=O)c2cc(N3CCOCC3)ccc2[n-]c1=S)N1CCN(c2ccccn2)CC1	ZINC000020644551	553684688	/nfs/dbraw/zinc/68/46/88/553684688.db2.gz	RIIANWXTCZHIRI-UHFFFAOYSA-N	-1	0	522.675	3.200	50	0		KGAARM
CCOC(=O)N1CCN(C(=O)CCCCn2c(=O)c3cc(OCC)c(OCC)cc3[n-]c2=S)CC1	ZINC000020644745	553685005	/nfs/dbraw/zinc/68/50/05/553685005.db2.gz	MCDDPIWPCZNXPW-UHFFFAOYSA-N	-1	0	506.625	3.327	50	0		KGAARM
COc1ccc(S(=O)(=O)c2cnc(SCC(=O)NCCCc3ccccc3)[n-]c2=O)cc1Cl	ZINC000020848983	553699402	/nfs/dbraw/zinc/69/94/02/553699402.db2.gz	PPVODAUIKUJXBH-UHFFFAOYSA-N	-1	0	508.021	3.106	50	0		KGAARM
CCOC(=O)c1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccc(Cl)c3)c(=O)[n-]2)cc1	ZINC000020860951	553700436	/nfs/dbraw/zinc/70/04/36/553700436.db2.gz	RLWNRGXQPLSVSY-UHFFFAOYSA-N	-1	0	507.977	3.164	50	0		KGAARM
COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(F)cc3F)[n-]c2=O)cc1Cl	ZINC000020861007	553700386	/nfs/dbraw/zinc/70/03/86/553700386.db2.gz	BGGJILALDBJAAF-UHFFFAOYSA-N	-1	0	501.920	3.274	50	0		KGAARM
COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(F)c(F)c3)[n-]c2=O)cc1Cl	ZINC000020861013	553700429	/nfs/dbraw/zinc/70/04/29/553700429.db2.gz	WIAZCHLGPBVCJU-UHFFFAOYSA-N	-1	0	501.920	3.274	50	0		KGAARM
COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(C)ccc3OC)[n-]c2=O)cc1Cl	ZINC000020861022	553700343	/nfs/dbraw/zinc/70/03/43/553700343.db2.gz	MUZCMEYJIJESBD-UHFFFAOYSA-N	-1	0	509.993	3.313	50	0		KGAARM
COC(=O)c1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(=O)[n-]1	ZINC000020861049	553700376	/nfs/dbraw/zinc/70/03/76/553700376.db2.gz	DNGFKTGCWWTWJU-UHFFFAOYSA-N	-1	0	515.613	3.418	50	0		KGAARM
COC(=O)c1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[n-]2)cc1	ZINC000020861059	553700347	/nfs/dbraw/zinc/70/03/47/553700347.db2.gz	GUENVXUPAWUEDP-UHFFFAOYSA-N	-1	0	515.613	3.418	50	0		KGAARM
COc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)c(Cl)c3)c(=O)[n-]2)cc1OC	ZINC000021089252	553706089	/nfs/dbraw/zinc/70/60/89/553706089.db2.gz	XJMALRIMJTWPIT-UHFFFAOYSA-N	-1	0	509.993	3.313	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c1	ZINC000024764734	553791813	/nfs/dbraw/zinc/79/18/13/553791813.db2.gz	MZTKXSQTKTYBDI-XMMPIXPASA-N	-1	0	513.591	3.438	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c1	ZINC000024764741	553791828	/nfs/dbraw/zinc/79/18/28/553791828.db2.gz	MZTKXSQTKTYBDI-DEOSSOPVSA-N	-1	0	513.591	3.438	50	0		KGAARM
COc1cc(CNC(C)=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OC	ZINC000025178971	553805054	/nfs/dbraw/zinc/80/50/54/553805054.db2.gz	TXRRUHCJGIQTKR-LDADJPATSA-N	-1	0	504.337	3.122	50	0		KGAARM
COc1ccc(C(NCCc2c[nH]cn2)=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000025180428	553804991	/nfs/dbraw/zinc/80/49/91/553804991.db2.gz	UKXMNXRTNZFGAK-FMQUCBEESA-N	-1	0	510.348	3.007	50	0		KGAARM
CCc1ccc([C@@H]2CC(c3ccc(OC)cc3)=NN2C2=NC(=O)[C@@H](CC(=O)N[C@@H](C)C(=O)[O-])S2)cc1	ZINC000028158495	553837946	/nfs/dbraw/zinc/83/79/46/553837946.db2.gz	AIHVMDXDZWLVQM-UZQPLGKSSA-N	-1	0	508.600	3.386	50	0		KGAARM
CCc1ccc([C@@H]2CC(c3ccc(OC)cc3)=NN2C2=NC(=O)[C@H](CC(=O)N[C@@H](C)C(=O)[O-])S2)cc1	ZINC000028158505	553837684	/nfs/dbraw/zinc/83/76/84/553837684.db2.gz	AIHVMDXDZWLVQM-RXYZOABWSA-N	-1	0	508.600	3.386	50	0		KGAARM
CCOc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)N[C@@H](C)C(=O)[O-])S3)[C@@H](c3ccc(OC)cc3)C2)cc1	ZINC000028159178	553837818	/nfs/dbraw/zinc/83/78/18/553837818.db2.gz	PZFSBMMIQDVLPQ-ARBPTSGCSA-N	-1	0	524.599	3.222	50	0		KGAARM
CCOc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)N[C@H](C)C(=O)[O-])S3)[C@@H](c3ccc(OC)cc3)C2)cc1	ZINC000028159184	553837655	/nfs/dbraw/zinc/83/76/55/553837655.db2.gz	PZFSBMMIQDVLPQ-RTOPAQNCSA-N	-1	0	524.599	3.222	50	0		KGAARM
O=C(c1ccc(Cn2c(=O)c3cc(N4CCOCC4)ccc3[n-]c2=S)cc1)N1CCN(c2ccccn2)CC1	ZINC000029748910	553850351	/nfs/dbraw/zinc/85/03/51/553850351.db2.gz	WBOUZFOGSMCEBR-UHFFFAOYSA-N	-1	0	542.665	3.301	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)c1	ZINC000032682570	553873153	/nfs/dbraw/zinc/87/31/53/553873153.db2.gz	NQWVHFXQVDLSBT-OAQYLSRUSA-N	-1	0	501.630	3.361	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1	ZINC000032682572	553873096	/nfs/dbraw/zinc/87/30/96/553873096.db2.gz	NQWVHFXQVDLSBT-NRFANRHFSA-N	-1	0	501.630	3.361	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1	ZINC000032721170	553873898	/nfs/dbraw/zinc/87/38/98/553873898.db2.gz	JMHDROCMRFMVPA-OAQYLSRUSA-N	-1	0	501.630	3.361	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1	ZINC000032721171	553873787	/nfs/dbraw/zinc/87/37/87/553873787.db2.gz	JMHDROCMRFMVPA-NRFANRHFSA-N	-1	0	501.630	3.361	50	0		KGAARM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC(=O)N1CCN(c3cc(Cl)ccc3C)CC1)c2=O	ZINC000032959239	553882007	/nfs/dbraw/zinc/88/20/07/553882007.db2.gz	KMOOORNPWQEVBG-UHFFFAOYSA-N	-1	0	501.008	3.173	50	0		KGAARM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(C(=O)N3CCN(c4ccccc4)CC3)cc1)c2=O	ZINC000032959327	553882013	/nfs/dbraw/zinc/88/20/13/553882013.db2.gz	LSSBJACZGBMRKY-UHFFFAOYSA-N	-1	0	514.607	3.483	50	0		KGAARM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(C(=O)NCc3ccc(OC)c(OC)c3)cc1)c2=O	ZINC000032959337	553881913	/nfs/dbraw/zinc/88/19/13/553881913.db2.gz	UXDABEOOFYDPPB-UHFFFAOYSA-N	-1	0	519.579	3.467	50	0		KGAARM
COc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ccccn5)CC4)cc(C(=O)[O-])c3c2)cc1	ZINC000032985150	553885495	/nfs/dbraw/zinc/88/54/95/553885495.db2.gz	VBPBHCLUMYEABS-UHFFFAOYSA-N	-1	0	519.583	3.464	50	0		KGAARM
Cc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ncccn5)CC4)cc(C(=O)[O-])c3c2)cc1	ZINC000032985177	553885484	/nfs/dbraw/zinc/88/54/84/553885484.db2.gz	KMRDGJGXOISOBR-UHFFFAOYSA-N	-1	0	504.572	3.159	50	0		KGAARM
Cc1ccc(C)c(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ncccn5)CC4)cc(C(=O)[O-])c3c2)c1	ZINC000032985202	553885872	/nfs/dbraw/zinc/88/58/72/553885872.db2.gz	AZYAPGPPMYYFSW-UHFFFAOYSA-N	-1	0	518.599	3.467	50	0		KGAARM
C[NH+]1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccc(Br)s4)ccc3n2)CC1	ZINC000032985215	553885987	/nfs/dbraw/zinc/88/59/87/553885987.db2.gz	PSTJOYSSTWOFLT-UHFFFAOYSA-N	-1	0	511.423	3.310	50	0		KGAARM
Cc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ncccn5)CC4)cc(C(=O)[O-])c3c2)c(C)c1	ZINC000032985218	553885956	/nfs/dbraw/zinc/88/59/56/553885956.db2.gz	ACTGYRRKECTRRD-UHFFFAOYSA-N	-1	0	518.599	3.467	50	0		KGAARM
Cc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ncccn5)CC4)cc(C(=O)[O-])c3c2)cc1C	ZINC000032985224	553886041	/nfs/dbraw/zinc/88/60/41/553886041.db2.gz	KGGQIWDHIPWJSO-UHFFFAOYSA-N	-1	0	518.599	3.467	50	0		KGAARM
CCc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ncccn5)CC4)cc(C(=O)[O-])c3c2)cc1	ZINC000032985238	553886033	/nfs/dbraw/zinc/88/60/33/553886033.db2.gz	SXMWNTHXHGWRQU-UHFFFAOYSA-N	-1	0	518.599	3.413	50	0		KGAARM
Cc1ccccc1S(=O)(=O)Nc1ccc2nc(N3CCN(c4ncccn4)CC3)cc(C(=O)[O-])c2c1	ZINC000032985249	553886223	/nfs/dbraw/zinc/88/62/23/553886223.db2.gz	ADRIOTBWOXPBHE-UHFFFAOYSA-N	-1	0	504.572	3.159	50	0		KGAARM
Cc1ccc(F)cc1S(=O)(=O)Nc1ccc2nc(N3CCN(c4ncccn4)CC3)cc(C(=O)[O-])c2c1	ZINC000032985262	553886279	/nfs/dbraw/zinc/88/62/79/553886279.db2.gz	JLXYYIGZCGGVHE-UHFFFAOYSA-N	-1	0	522.562	3.298	50	0		KGAARM
Cc1cccc(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ncccn5)CC4)cc(C(=O)[O-])c3c2)c1	ZINC000032985276	553886317	/nfs/dbraw/zinc/88/63/17/553886317.db2.gz	JWFJDZMXZHDPNV-UHFFFAOYSA-N	-1	0	504.572	3.159	50	0		KGAARM
Cc1cc(C)cc(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ncccn5)CC4)cc(C(=O)[O-])c3c2)c1	ZINC000032985290	553886194	/nfs/dbraw/zinc/88/61/94/553886194.db2.gz	NDHBNMOVQWLVFW-UHFFFAOYSA-N	-1	0	518.599	3.467	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1	ZINC000033026527	553890663	/nfs/dbraw/zinc/89/06/63/553890663.db2.gz	WXNOUQQBHVLGLW-XMMPIXPASA-N	-1	0	513.591	3.438	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1	ZINC000033026530	553890687	/nfs/dbraw/zinc/89/06/87/553890687.db2.gz	WXNOUQQBHVLGLW-DEOSSOPVSA-N	-1	0	513.591	3.438	50	0		KGAARM
O=C(c1cncc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000033266230	553917247	/nfs/dbraw/zinc/91/72/47/553917247.db2.gz	IUSHLSCEGNOKIF-UHFFFAOYSA-N	-1	0	514.991	3.223	50	0		KGAARM
O=c1c(C(c2ccc(Br)cc2)c2c(O)nc3n(c2=O)CCCS3)c([O-])nc2n1CCCS2	ZINC000033353071	553922903	/nfs/dbraw/zinc/92/29/03/553922903.db2.gz	DABLXYJWGJFYIK-UHFFFAOYSA-N	-1	0	535.445	3.146	50	0		KGAARM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000033353297	553924106	/nfs/dbraw/zinc/92/41/06/553924106.db2.gz	HRHQLYDJLFSMFI-VVNKCDPRSA-N	-1	0	558.568	3.485	50	0		KGAARM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000033353299	553924443	/nfs/dbraw/zinc/92/44/43/553924443.db2.gz	HRHQLYDJLFSMFI-PLQXQRLBSA-N	-1	0	558.568	3.485	50	0		KGAARM
COc1cc(/C=c2/sc3nc4cc(C)c(C)cc4n3c2=O)cc(I)c1OCC(=O)[O-]	ZINC000033353499	553925664	/nfs/dbraw/zinc/92/56/64/553925664.db2.gz	SONJAMUCKXHRFB-CAOOACKPSA-N	-1	0	536.347	3.150	50	0		KGAARM
CCCOc1ccc(C(=O)NC(=S)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4CC)CC2)cc1	ZINC000033353695	553926465	/nfs/dbraw/zinc/92/64/65/553926465.db2.gz	MSQBFQCMPMQZRX-UHFFFAOYSA-N	-1	0	540.617	3.484	50	0		KGAARM
O=C(CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[n-]1)NCCc1ccc(Cl)cc1	ZINC000033357539	553948945	/nfs/dbraw/zinc/94/89/45/553948945.db2.gz	DLOQXLMIQNSNLO-UHFFFAOYSA-N	-1	0	542.864	3.470	50	0		KGAARM
O=C(c1ccc(Cn2c(=O)c3cc(Br)ccc3[n-]c2=S)cc1)N1CCN(c2ncccn2)CC1	ZINC000033357828	553951102	/nfs/dbraw/zinc/95/11/02/553951102.db2.gz	CYZAIIDJLKSCHG-UHFFFAOYSA-N	-1	0	537.443	3.248	50	0		KGAARM
O=C([O-])CN1c2ccccc2C(=O)N2C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C1=O	ZINC000033369295	553957606	/nfs/dbraw/zinc/95/76/06/553957606.db2.gz	IQPCJKBMGCKVGP-GKVSMKOHSA-N	-1	0	511.534	3.240	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1	ZINC000033496750	1059552552	/nfs/dbraw/zinc/55/25/52/1059552552.db2.gz	AWNWDCZNIIHYJF-SSZFMOIBSA-N	-1	0	515.613	3.398	50	0		KGAARM
CCOC(=O)N1CCN(C(=O)CCc2nnc(-c3ccc(OCc4ccccc4F)cc3)[n-]c2=O)CC1	ZINC000034762998	554002286	/nfs/dbraw/zinc/00/22/86/554002286.db2.gz	AETDCNUOMIWKNY-UHFFFAOYSA-N	-1	0	509.538	3.196	50	0		KGAARM
CCOC(=O)N1CCN(C(=O)CCc2nnc(-c3ccc(OCc4cccc(F)c4)cc3)[n-]c2=O)CC1	ZINC000034763115	554002527	/nfs/dbraw/zinc/00/25/27/554002527.db2.gz	LILXLFVAXAHNOI-UHFFFAOYSA-N	-1	0	509.538	3.196	50	0		KGAARM
CCOCCOc1ccc(-c2nnc(CCC(=O)N(C)CCc3ccc(OC)c(OC)c3)c(=O)[n-]2)cc1	ZINC000034763474	554002579	/nfs/dbraw/zinc/00/25/79/554002579.db2.gz	ZAEMOAUZOXVGST-UHFFFAOYSA-N	-1	0	510.591	3.310	50	0		KGAARM
CCOCCOc1ccc(-c2nnc(CCC(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)[n-]2)cc1OC	ZINC000034767006	554002880	/nfs/dbraw/zinc/00/28/80/554002880.db2.gz	FAXKHOAQUHROJY-UHFFFAOYSA-N	-1	0	525.581	3.089	50	0		KGAARM
CCOc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)N[C@@H](C)C(=O)[O-])S3)[C@H](c3ccc(OC)cc3)C2)cc1	ZINC000035072816	554034116	/nfs/dbraw/zinc/03/41/16/554034116.db2.gz	PZFSBMMIQDVLPQ-RXYZOABWSA-N	-1	0	524.599	3.222	50	0		KGAARM
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](Cc5c[nH]cn5)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000035361190	554044303	/nfs/dbraw/zinc/04/43/03/554044303.db2.gz	OUUKRAIZMNAQPJ-HDQMAWSMSA-N	-1	0	522.646	3.221	50	0	biogenic	KGAARM
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](Cc5c[nH]cn5)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000035361193	554044362	/nfs/dbraw/zinc/04/43/62/554044362.db2.gz	OUUKRAIZMNAQPJ-XKCKMHGMSA-N	-1	0	522.646	3.221	50	0	biogenic	KGAARM
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000035361407	554044223	/nfs/dbraw/zinc/04/42/23/554044223.db2.gz	PPECFUNMFLWSTN-CVTSSFGHSA-N	-1	0	501.620	3.257	50	0	biogenic	KGAARM
Cn1c2ccc(S(=O)(=O)[N-]c3cc4c(cc3SC3CCCCC3)n(C)c(=O)n4C)cc2n(C)c1=O	ZINC000035481137	554056555	/nfs/dbraw/zinc/05/65/55/554056555.db2.gz	RSULJDFXYMEZHS-UHFFFAOYSA-N	-1	0	515.661	3.293	50	0		KGAARM
CC(C)C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000035807007	554076043	/nfs/dbraw/zinc/07/60/43/554076043.db2.gz	JYLPFANNGTZEQO-HPUZDQILSA-N	-1	0	530.625	3.394	50	0	biogenic	KGAARM
CC(C)C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000035807279	554075980	/nfs/dbraw/zinc/07/59/80/554075980.db2.gz	CFUNPOBDQKNWHN-JAYJDBRPSA-N	-1	0	528.609	3.244	50	0	biogenic	KGAARM
COc1ccc(N2C(=O)C(c3c(C)[n-]n(-c4cccc(Cl)c4)c3=O)=C(N3CCOCC3)C2=O)cc1OC	ZINC000035960751	554108753	/nfs/dbraw/zinc/10/87/53/554108753.db2.gz	NBONGQALIDXLSK-UHFFFAOYSA-N	-1	0	524.961	3.174	50	0		KGAARM
COc1ccc(N2C(=O)C(c3c(C)[n-]n(-c4cccc(Cl)c4)c3=O)=C(N3CCOCC3)C2=O)c(OC)c1	ZINC000035960754	554108904	/nfs/dbraw/zinc/10/89/04/554108904.db2.gz	XATWCPMIAMBCHS-UHFFFAOYSA-N	-1	0	524.961	3.174	50	0		KGAARM
COc1ccc(-n2[n-]c(C(C)C)c(C3=C(N4CCN(C)CC4)C(=O)N(C4CCCCC4)C3=O)c2=O)cc1	ZINC000035960889	554108836	/nfs/dbraw/zinc/10/88/36/554108836.db2.gz	PXKGUTPZGIZSHZ-UHFFFAOYSA-N	-1	0	507.635	3.370	50	0		KGAARM
CCc1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C(N2CCN(C)CC2)C(=O)N(CC(C)C)C1=O	ZINC000035963603	554112057	/nfs/dbraw/zinc/11/20/57/554112057.db2.gz	NXFLDPTYMNJIGC-UHFFFAOYSA-N	-1	0	506.434	3.430	50	0		KGAARM
COc1ccccc1N1CCN2c3c(F)cccc3C[C@]3(C(=O)[N-]C(=O)N(c4ccccc4)C3=O)[C@@H]2C1	ZINC000036056363	554159780	/nfs/dbraw/zinc/15/97/80/554159780.db2.gz	ZTDURFYZCUGMHA-NEKDWFFYSA-N	-1	0	500.530	3.355	50	0		KGAARM
CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000038139910	554261684	/nfs/dbraw/zinc/26/16/84/554261684.db2.gz	JXLKCKHEADTSCK-FOEQJRRESA-N	-1	0	528.609	3.244	50	0	biogenic	KGAARM
CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000038139912	554261694	/nfs/dbraw/zinc/26/16/94/554261694.db2.gz	JXLKCKHEADTSCK-OCDZOFJWSA-N	-1	0	528.609	3.244	50	0	biogenic	KGAARM
CC(C)C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000038139918	554261618	/nfs/dbraw/zinc/26/16/18/554261618.db2.gz	CFUNPOBDQKNWHN-UHCVVMIDSA-N	-1	0	528.609	3.244	50	0	biogenic	KGAARM
CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)NCC1CCC(C(=O)[O-])CC1	ZINC000038139995	554262186	/nfs/dbraw/zinc/26/21/86/554262186.db2.gz	DARWWBXHWMVULB-JPNJFQNJSA-N	-1	0	562.667	3.012	50	0	biogenic	KGAARM
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)NCC1CCC(C(=O)[O-])CC1	ZINC000038139996	554262290	/nfs/dbraw/zinc/26/22/90/554262290.db2.gz	DARWWBXHWMVULB-JYOKNXRSSA-N	-1	0	562.667	3.012	50	0	biogenic	KGAARM
C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c1cccc(S(=O)(=O)[O-])c1	ZINC000038141707	554265169	/nfs/dbraw/zinc/26/51/69/554265169.db2.gz	TWQWRHIQRAZHPR-WCMUQTBRSA-N	-1	0	576.639	3.007	50	0		KGAARM
C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c1cccc(S(=O)(=O)[O-])c1	ZINC000038141709	554265184	/nfs/dbraw/zinc/26/51/84/554265184.db2.gz	TWQWRHIQRAZHPR-AEXHKJTDSA-N	-1	0	576.639	3.007	50	0		KGAARM
C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c1cccc(S(=O)(=O)[O-])c1	ZINC000038141716	554265182	/nfs/dbraw/zinc/26/51/82/554265182.db2.gz	TWQWRHIQRAZHPR-LMWUAZJOSA-N	-1	0	576.639	3.007	50	0		KGAARM
C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c1cccc(S(=O)(=O)[O-])c1	ZINC000038141717	554265190	/nfs/dbraw/zinc/26/51/90/554265190.db2.gz	TWQWRHIQRAZHPR-YDYJTCNGSA-N	-1	0	576.639	3.007	50	0		KGAARM
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1	ZINC000038144961	554266355	/nfs/dbraw/zinc/26/63/55/554266355.db2.gz	YXJUOCYUJALUOP-VXKWHMMOSA-N	-1	0	546.690	3.165	50	0	biogenic	KGAARM
CCOC(CNC(=O)C1CCN(S(=O)(=O)c2ccc3nc4c(c(C(=O)[O-])c3c2)CCCCC4)CC1)OCC	ZINC000038146978	554270174	/nfs/dbraw/zinc/27/01/74/554270174.db2.gz	DRRNEKZYLOFFSM-UHFFFAOYSA-N	-1	0	547.674	3.118	50	0		KGAARM
CCOC(=O)N1CCN(C(=O)c2ccc(Cn3c(=O)c4cc(Br)ccc4[n-]c3=S)cc2)CC1	ZINC000038150029	554270776	/nfs/dbraw/zinc/27/07/76/554270776.db2.gz	UYORWZMMHHZTDY-UHFFFAOYSA-N	-1	0	531.432	3.410	50	0		KGAARM
COc1cc(/C=C(\NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)N[C@H](C(=O)[O-])c2ccccc2)cc(OC)c1OC	ZINC000038150075	554271409	/nfs/dbraw/zinc/27/14/09/554271409.db2.gz	UKYXXPGGDYNYCY-NIAMQAJOSA-N	-1	0	580.590	3.451	50	0		KGAARM
COc1cc(/C=C(\NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc(OC)c1OC	ZINC000038150076	554271448	/nfs/dbraw/zinc/27/14/48/554271448.db2.gz	UKYXXPGGDYNYCY-OMWANQMDSA-N	-1	0	580.590	3.451	50	0		KGAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)cc2)nc(C)n1	ZINC000038216469	554274386	/nfs/dbraw/zinc/27/43/86/554274386.db2.gz	AJTQUMGOIPECIF-JOCHJYFZSA-N	-1	0	507.572	3.154	50	0		KGAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)cc2)nc(C)n1	ZINC000038216470	554274413	/nfs/dbraw/zinc/27/44/13/554274413.db2.gz	AJTQUMGOIPECIF-QFIPXVFZSA-N	-1	0	507.572	3.154	50	0		KGAARM
COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1[N-]S(=O)(=O)C1(C[C@H](O)CO)CC1	ZINC000039187987	554278733	/nfs/dbraw/zinc/27/87/33/554278733.db2.gz	RDSACQWTXKSHJT-NSHDSACASA-N	-1	0	572.343	3.478	50	0	investigational	KGAARM
O=C([O-])c1cn(C2CC2)c2cc(N3CCC(O)(COc4ccc(N5C[C@H](CO)OC5=O)cc4F)CC3)c(F)cc2c1=O	ZINC000043195938	562646734	/nfs/dbraw/zinc/64/67/34/562646734.db2.gz	XWFCFMXQTBGXQW-GOSISDBHSA-N	-1	0	585.560	3.041	50	0	investigational	KGAARM
CCOc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(OC)c(Cl)c2)c(=O)[n-]1	ZINC000045987611	554317365	/nfs/dbraw/zinc/31/73/65/554317365.db2.gz	MVRPYYLLGHNMFB-UHFFFAOYSA-N	-1	0	509.993	3.394	50	0		KGAARM
CCOC(=O)c1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)cc3C)c(=O)[n-]2)cc1	ZINC000045987616	554317321	/nfs/dbraw/zinc/31/73/21/554317321.db2.gz	VZQCQEUPKZOGKL-UHFFFAOYSA-N	-1	0	501.586	3.127	50	0		KGAARM
CCOC(=O)c1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(C)cc2C)c(=O)[n-]1	ZINC000045987619	554317386	/nfs/dbraw/zinc/31/73/86/554317386.db2.gz	NSEBSQNXPSCWDJ-UHFFFAOYSA-N	-1	0	501.586	3.127	50	0		KGAARM
CCOC(=O)c1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)cc3C)c(=O)[n-]2)c1	ZINC000045987628	554317346	/nfs/dbraw/zinc/31/73/46/554317346.db2.gz	GNHUKBOPVODRBD-UHFFFAOYSA-N	-1	0	501.586	3.127	50	0		KGAARM
O=C(CSc1ncc(S(=O)(=O)c2cccc(C(F)(F)F)c2)c(=O)[n-]1)Nc1ccc2c(c1)OCO2	ZINC000046016297	554318549	/nfs/dbraw/zinc/31/85/49/554318549.db2.gz	BODGVGCMRZNCQA-UHFFFAOYSA-N	-1	0	513.475	3.081	50	0		KGAARM
COc1cccc(CNC(=O)CSc2ncc(S(=O)(=O)c3cccc(C(F)(F)F)c3)c(=O)[n-]2)c1	ZINC000046016311	554318399	/nfs/dbraw/zinc/31/83/99/554318399.db2.gz	BXPLILCWKUMIJC-UHFFFAOYSA-N	-1	0	513.519	3.039	50	0		KGAARM
COc1ccccc1CNC(=O)CSc1ncc(S(=O)(=O)c2cccc(C(F)(F)F)c2)c(=O)[n-]1	ZINC000046016314	554318416	/nfs/dbraw/zinc/31/84/16/554318416.db2.gz	VRMXFZIQMKJTQB-UHFFFAOYSA-N	-1	0	513.519	3.039	50	0		KGAARM
COc1ccc(OC)c(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)c(Cl)c3)c(=O)[n-]2)c1	ZINC000046016320	554318493	/nfs/dbraw/zinc/31/84/93/554318493.db2.gz	PWCZLOJCJPBDOM-UHFFFAOYSA-N	-1	0	509.993	3.313	50	0		KGAARM
COC(=O)c1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)c(Cl)c3)c(=O)[n-]2)cc1	ZINC000046016322	554318470	/nfs/dbraw/zinc/31/84/70/554318470.db2.gz	CLDBMFYTGURVOP-UHFFFAOYSA-N	-1	0	507.977	3.082	50	0		KGAARM
COc1cc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)c(Cl)c3)c(=O)[n-]2)cc(OC)c1	ZINC000046016324	554318444	/nfs/dbraw/zinc/31/84/44/554318444.db2.gz	UAJAAKDTYYSPQS-UHFFFAOYSA-N	-1	0	509.993	3.313	50	0		KGAARM
COC(=O)c1sccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(C)c(Cl)c2)c(=O)[n-]1	ZINC000046016328	554318345	/nfs/dbraw/zinc/31/83/45/554318345.db2.gz	CUPRLVPOHSXNLI-UHFFFAOYSA-N	-1	0	514.006	3.143	50	0		KGAARM
CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3C(=O)OC)[n-]c2=O)cc1	ZINC000046016365	554318717	/nfs/dbraw/zinc/31/87/17/554318717.db2.gz	YVKAWGJCZYMKEQ-UHFFFAOYSA-N	-1	0	515.613	3.463	50	0		KGAARM
CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc4c(c3)OCCO4)[n-]c2=O)cc1	ZINC000046016367	554318862	/nfs/dbraw/zinc/31/88/62/554318862.db2.gz	YWSCUUNXZZXYAQ-UHFFFAOYSA-N	-1	0	515.613	3.447	50	0		KGAARM
CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)NCc3ccc(OC)cc3)[n-]c2=O)cc1	ZINC000046016384	554318668	/nfs/dbraw/zinc/31/86/68/554318668.db2.gz	BBSVSUWVHKTSKT-UHFFFAOYSA-N	-1	0	501.630	3.362	50	0		KGAARM
CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)NCc3cccc(OC)c3)[n-]c2=O)cc1	ZINC000046016386	554318803	/nfs/dbraw/zinc/31/88/03/554318803.db2.gz	GRSTXKQPBKFSPT-UHFFFAOYSA-N	-1	0	501.630	3.362	50	0		KGAARM
CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)NCc3ccccc3OC)[n-]c2=O)cc1	ZINC000046016389	554318813	/nfs/dbraw/zinc/31/88/13/554318813.db2.gz	NLAOYDSMBONGDV-UHFFFAOYSA-N	-1	0	501.630	3.362	50	0		KGAARM
COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3Br)[n-]c2=O)cc1	ZINC000046016399	554318733	/nfs/dbraw/zinc/31/87/33/554318733.db2.gz	BYBNMUSNEOYLIJ-UHFFFAOYSA-N	-1	0	510.391	3.105	50	0		KGAARM
COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(Br)c3)[n-]c2=O)cc1	ZINC000046016401	554318787	/nfs/dbraw/zinc/31/87/87/554318787.db2.gz	FWGAGJVGPIVHKI-UHFFFAOYSA-N	-1	0	510.391	3.105	50	0		KGAARM
COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(Br)cc3)[n-]c2=O)cc1	ZINC000046016403	554318754	/nfs/dbraw/zinc/31/87/54/554318754.db2.gz	OUQHEILTUMVWKW-UHFFFAOYSA-N	-1	0	510.391	3.105	50	0		KGAARM
COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)c(Cl)c3)[n-]c2=O)cc1OC	ZINC000046016414	554318880	/nfs/dbraw/zinc/31/88/80/554318880.db2.gz	CTDOROZPRZNIRW-UHFFFAOYSA-N	-1	0	509.993	3.313	50	0		KGAARM
COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C(C)C)cc3)[n-]c2=O)cc1OC	ZINC000046016416	554318868	/nfs/dbraw/zinc/31/88/68/554318868.db2.gz	MCFMCJCMVAAONQ-UHFFFAOYSA-N	-1	0	503.602	3.474	50	0		KGAARM
CCOC(=O)c1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(CC)cc3)c(=O)[n-]2)cc1	ZINC000046016429	554319216	/nfs/dbraw/zinc/31/92/16/554319216.db2.gz	VRRREDGLLDKAJQ-UHFFFAOYSA-N	-1	0	501.586	3.073	50	0		KGAARM
CCOC(=O)c1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(CC)cc2)c(=O)[n-]1	ZINC000046016430	554319099	/nfs/dbraw/zinc/31/90/99/554319099.db2.gz	CVZGWEKJHGTRBE-UHFFFAOYSA-N	-1	0	501.586	3.073	50	0		KGAARM
CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(OC)c(Cl)c3)[n-]c2=O)cc1	ZINC000046016446	554319170	/nfs/dbraw/zinc/31/91/70/554319170.db2.gz	LJPJHXWIOHFSCE-UHFFFAOYSA-N	-1	0	509.993	3.394	50	0		KGAARM
CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(Cl)ccc3OC)[n-]c2=O)cc1	ZINC000046016450	554319015	/nfs/dbraw/zinc/31/90/15/554319015.db2.gz	CIPGIMNZMLPIAA-UHFFFAOYSA-N	-1	0	509.993	3.394	50	0		KGAARM
CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)NCCc3ccc(Cl)cc3)[n-]c2=O)cc1	ZINC000046016454	554319176	/nfs/dbraw/zinc/31/91/76/554319176.db2.gz	BQJMNAZABPYCBQ-UHFFFAOYSA-N	-1	0	508.021	3.106	50	0		KGAARM
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\NC(=O)c3ccc(Br)cc3)C(=O)NCC(=O)[O-])cc2)cc1	ZINC000059222132	554385513	/nfs/dbraw/zinc/38/55/13/554385513.db2.gz	PZOATNOXIGQECF-HMAPJEAMSA-N	-1	0	573.421	3.497	50	0		KGAARM
COc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)[N-]c1cc(S(=O)(=O)N2CCOCC2)ccc1C	ZINC000059602934	554409412	/nfs/dbraw/zinc/40/94/12/554409412.db2.gz	ULRPZBAPFSLRPD-UHFFFAOYSA-N	-1	0	545.639	3.078	50	0		KGAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1	ZINC000059612674	554412914	/nfs/dbraw/zinc/41/29/14/554412914.db2.gz	KHHWYDJSUDPGNN-UHFFFAOYSA-N	-1	0	532.644	3.056	50	0		KGAARM
Cc1nc([N-]S(=O)(=O)c2ccccc2)sc1NC(=O)OCCNC(=O)COc1ccc(Cl)cc1C	ZINC000059616685	554413053	/nfs/dbraw/zinc/41/30/53/554413053.db2.gz	NFHGTJYDYKKKFE-UHFFFAOYSA-N	-1	0	539.035	3.958	50	0		KGAARM
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1I	ZINC000059620400	554413663	/nfs/dbraw/zinc/41/36/63/554413663.db2.gz	ZRHDBCHURRMQQY-UHFFFAOYSA-N	-1	0	551.409	3.358	50	0		KGAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C(C)=O)c3)S(C)(=O)=O)cc2)c1	ZINC000059620550	554413945	/nfs/dbraw/zinc/41/39/45/554413945.db2.gz	MJYXADBRAZSKHO-UHFFFAOYSA-N	-1	0	561.638	3.112	50	0		KGAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)cc1	ZINC000059626822	554415227	/nfs/dbraw/zinc/41/52/27/554415227.db2.gz	GCFLTIHAJKLCLX-UHFFFAOYSA-N	-1	0	545.639	3.412	50	0		KGAARM
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(F)c(Cl)c1	ZINC000059729431	554426853	/nfs/dbraw/zinc/42/68/53/554426853.db2.gz	GXZXEZSHYYBQNA-UHFFFAOYSA-N	-1	0	519.001	3.141	50	0		KGAARM
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(OC)ncn3)cc2)cc1	ZINC000059739563	554428039	/nfs/dbraw/zinc/42/80/39/554428039.db2.gz	GJCOXWCKNIUWJX-UHFFFAOYSA-N	-1	0	547.659	3.349	50	0		KGAARM
Cc1c2c(c(C)c(C)c1S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-])OC(C)(C)C2	ZINC000060291380	554505212	/nfs/dbraw/zinc/50/52/12/554505212.db2.gz	YBLFBAMLWBGRMI-NRFANRHFSA-N	-1	0	560.673	3.288	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(=S)n(CN3CCN(c4ncccn4)CC3)c2c1	ZINC000062356429	554506585	/nfs/dbraw/zinc/50/65/85/554506585.db2.gz	YRQDYBMJUIIBIN-UHFFFAOYSA-N	-1	0	512.617	3.343	50	0		KGAARM
CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c([N-]S(=O)(=O)c2cccc(C(=O)OC)c2)c1	ZINC000062602575	554507345	/nfs/dbraw/zinc/50/73/45/554507345.db2.gz	QGYYXBCAADDURT-UHFFFAOYSA-N	-1	0	504.586	3.498	50	0		KGAARM
COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(CNC(=O)c2cnn3cccnc23)c(Cl)c1	ZINC000062633071	554507765	/nfs/dbraw/zinc/50/77/65/554507765.db2.gz	YDHCKJGTTMORTI-UHFFFAOYSA-N	-1	0	513.963	3.209	50	0		KGAARM
O=C([O-])c1c(I)c2cc(Br)cnc2n1S(=O)(=O)c1ccccc1	ZINC000066054383	554527499	/nfs/dbraw/zinc/52/74/99/554527499.db2.gz	FVKWOKUCNQOJDT-UHFFFAOYSA-N	-1	0	507.103	3.339	50	0		KGAARM
CCOC(=O)C1=C(COCCNC(=O)c2ccccc2C(=O)[O-])NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl	ZINC000067664838	554532803	/nfs/dbraw/zinc/53/28/03/554532803.db2.gz	IAYRABGXHCLELQ-QHCPKHFHSA-N	-1	0	556.999	3.436	50	0	in-vitro	KGAARM
CCOC(=O)C1=C(COCCNC(=O)c2ccccc2C(=O)[O-])NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl	ZINC000067664840	554532708	/nfs/dbraw/zinc/53/27/08/554532708.db2.gz	IAYRABGXHCLELQ-HSZRJFAPSA-N	-1	0	556.999	3.436	50	0	in-vitro	KGAARM
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000070672961	553603018	/nfs/dbraw/zinc/60/30/18/553603018.db2.gz	JUOPOCPDDLRRKB-VBVGDMEISA-N	-1	0	543.657	3.218	50	0	biogenic	KGAARM
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)[O-])C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000070673321	553603523	/nfs/dbraw/zinc/60/35/23/553603523.db2.gz	OXVOAORBHZGQNY-FFCKYTLJSA-N	-1	0	555.716	3.416	50	0	biogenic	KGAARM
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@H](C)C(=O)[O-])C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000070673329	553603402	/nfs/dbraw/zinc/60/34/02/553603402.db2.gz	OXVOAORBHZGQNY-CSBHTAPSSA-N	-1	0	555.716	3.416	50	0	biogenic	KGAARM
CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1	ZINC000070687083	553606163	/nfs/dbraw/zinc/60/61/63/553606163.db2.gz	HEXCLMVXTUWSSM-PHXCCWLDSA-N	-1	0	582.723	3.220	50	0	biogenic	KGAARM
CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1	ZINC000070687086	553606177	/nfs/dbraw/zinc/60/61/77/553606177.db2.gz	HEXCLMVXTUWSSM-RZDWPUGNSA-N	-1	0	582.723	3.220	50	0	biogenic	KGAARM
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCC(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])CC2)cc1	ZINC000070687295	553606410	/nfs/dbraw/zinc/60/64/10/553606410.db2.gz	USRRJWRZKKWGJD-SVBPBHIXSA-N	-1	0	582.723	3.220	50	0	biogenic	KGAARM
CSCC[C@H](NC(=O)C1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000070687552	553606926	/nfs/dbraw/zinc/60/69/26/553606926.db2.gz	NXROWZGCBRKSDH-VXKWHMMOSA-N	-1	0	546.690	3.165	50	0	biogenic	KGAARM
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])CC2)cc1	ZINC000070687588	553606939	/nfs/dbraw/zinc/60/69/39/553606939.db2.gz	KZEFBUGIMPTBHU-KYJUHHDHSA-N	-1	0	616.740	3.417	50	0	biogenic	KGAARM
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(C(=O)NC3(C(=O)[O-])CCCCC3)CC2)cc1	ZINC000070687657	553607233	/nfs/dbraw/zinc/60/72/33/553607233.db2.gz	MYFBKDGQYJYJMH-VWLOTQADSA-N	-1	0	555.697	3.027	50	0	biogenic	KGAARM
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(C(=O)N[C@H](C(=O)[O-])c3ccccc3)CC2)cc1	ZINC000070687807	553607622	/nfs/dbraw/zinc/60/76/22/553607622.db2.gz	ABOAHGCTQCWTIX-SVBPBHIXSA-N	-1	0	563.676	3.065	50	0	biogenic	KGAARM
CCCCC[C@H](NC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)CC1)C(=O)[O-]	ZINC000070691903	553608745	/nfs/dbraw/zinc/60/87/45/553608745.db2.gz	VPADLMYMFQCRDN-UIOOFZCWSA-N	-1	0	557.713	3.273	50	0	biogenic	KGAARM
CCCCC[C@@H](NC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)CC1)C(=O)[O-]	ZINC000070691905	553608756	/nfs/dbraw/zinc/60/87/56/553608756.db2.gz	VPADLMYMFQCRDN-FTJBHMTQSA-N	-1	0	557.713	3.273	50	0	biogenic	KGAARM
CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000070698934	553615321	/nfs/dbraw/zinc/61/53/21/553615321.db2.gz	JXLKCKHEADTSCK-GETZDKOCSA-N	-1	0	528.609	3.244	50	0	biogenic	KGAARM
CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000070698935	553615276	/nfs/dbraw/zinc/61/52/76/553615276.db2.gz	JXLKCKHEADTSCK-XZWODLHVSA-N	-1	0	528.609	3.244	50	0	biogenic	KGAARM
CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000070698938	553615313	/nfs/dbraw/zinc/61/53/13/553615313.db2.gz	JXLKCKHEADTSCK-CETHQHJXSA-N	-1	0	528.609	3.244	50	0	biogenic	KGAARM
CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000070698942	553615319	/nfs/dbraw/zinc/61/53/19/553615319.db2.gz	JXLKCKHEADTSCK-AQCPXGKOSA-N	-1	0	528.609	3.244	50	0	biogenic	KGAARM
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(C)C)C(=O)[O-]	ZINC000070698997	553615281	/nfs/dbraw/zinc/61/52/81/553615281.db2.gz	YRUZFCZMMJUAFN-LCXINAFSSA-N	-1	0	516.598	3.004	50	0	biogenic	KGAARM
CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000070699020	553615335	/nfs/dbraw/zinc/61/53/35/553615335.db2.gz	KNIMEWWMESSRKF-CETHQHJXSA-N	-1	0	530.625	3.394	50	0	biogenic	KGAARM
CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000070699023	553615279	/nfs/dbraw/zinc/61/52/79/553615279.db2.gz	KNIMEWWMESSRKF-AQCPXGKOSA-N	-1	0	530.625	3.394	50	0	biogenic	KGAARM
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(C)C)C(=O)[O-]	ZINC000070699205	553615928	/nfs/dbraw/zinc/61/59/28/553615928.db2.gz	CKWOHVUSCDADFR-IGRGDXOOSA-N	-1	0	530.625	3.394	50	0	biogenic	KGAARM
CC(C)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(C)C)C(=O)[O-]	ZINC000070699325	553615906	/nfs/dbraw/zinc/61/59/06/553615906.db2.gz	YRUZFCZMMJUAFN-UCKMRUJXSA-N	-1	0	516.598	3.004	50	0	biogenic	KGAARM
CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(C)C)C(=O)[O-]	ZINC000070699454	553616224	/nfs/dbraw/zinc/61/62/24/553616224.db2.gz	MCXFLSYAJJLCEY-CETHQHJXSA-N	-1	0	530.625	3.394	50	0	biogenic	KGAARM
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(C)C)C(=O)[O-]	ZINC000070699457	553616247	/nfs/dbraw/zinc/61/62/47/553616247.db2.gz	MCXFLSYAJJLCEY-AQCPXGKOSA-N	-1	0	530.625	3.394	50	0	biogenic	KGAARM
CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000070699706	553616931	/nfs/dbraw/zinc/61/69/31/553616931.db2.gz	KNIMEWWMESSRKF-YESUCWJGSA-N	-1	0	530.625	3.394	50	0	biogenic	KGAARM
CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000070699711	553616936	/nfs/dbraw/zinc/61/69/36/553616936.db2.gz	KNIMEWWMESSRKF-LFWUJFFNSA-N	-1	0	530.625	3.394	50	0	biogenic	KGAARM
CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000070699712	553616843	/nfs/dbraw/zinc/61/68/43/553616843.db2.gz	KNIMEWWMESSRKF-NFXZAXJRSA-N	-1	0	530.625	3.394	50	0	biogenic	KGAARM
CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000070699715	553616850	/nfs/dbraw/zinc/61/68/50/553616850.db2.gz	KNIMEWWMESSRKF-PHOCIQLESA-N	-1	0	530.625	3.394	50	0	biogenic	KGAARM
CC(C)C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000070699812	553617059	/nfs/dbraw/zinc/61/70/59/553617059.db2.gz	JYLPFANNGTZEQO-IGRGDXOOSA-N	-1	0	530.625	3.394	50	0	biogenic	KGAARM
CC(C)C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000070700029	553617483	/nfs/dbraw/zinc/61/74/83/553617483.db2.gz	JYLPFANNGTZEQO-SRNFOCHHSA-N	-1	0	530.625	3.394	50	0	biogenic	KGAARM
CC(C)C[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(C)C)C(=O)[O-]	ZINC000070700059	553617707	/nfs/dbraw/zinc/61/77/07/553617707.db2.gz	CKWOHVUSCDADFR-APFRJGHOSA-N	-1	0	530.625	3.394	50	0	biogenic	KGAARM
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](CC(=O)[O-])[C@@H]1CCOC(C)(C)C1	ZINC000070700285	553618194	/nfs/dbraw/zinc/61/81/94/553618194.db2.gz	ZXPONUVYXCVYFQ-ZUMREBGHSA-N	-1	0	643.774	3.486	50	0	biogenic	KGAARM
C[C@]12CC(=O)[C@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](CC(=O)[O-])[C@@H]1CCOC(C)(C)C1	ZINC000070700290	553618220	/nfs/dbraw/zinc/61/82/20/553618220.db2.gz	ZXPONUVYXCVYFQ-BQFQXQTGSA-N	-1	0	643.774	3.486	50	0	biogenic	KGAARM
C[C@]12CC(=O)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](CC(=O)[O-])[C@@H]1CCOC(C)(C)C1	ZINC000070700294	553618191	/nfs/dbraw/zinc/61/81/91/553618191.db2.gz	ZXPONUVYXCVYFQ-BTGJCAJUSA-N	-1	0	643.774	3.486	50	0	biogenic	KGAARM
C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](CC(=O)[O-])[C@@H]1CCOC(C)(C)C1	ZINC000070700299	553618208	/nfs/dbraw/zinc/61/82/08/553618208.db2.gz	ZXPONUVYXCVYFQ-GQJIQHTHSA-N	-1	0	643.774	3.486	50	0	biogenic	KGAARM
C[C@]12C[C@H](O)[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](CC(=O)[O-])[C@@H]1CCOC(C)(C)C1	ZINC000070700717	553619199	/nfs/dbraw/zinc/61/91/99/553619199.db2.gz	MEUGPRHUNMHHIM-CYMYDKIWSA-N	-1	0	643.774	3.053	50	0	biogenic	KGAARM
C[C@]12C[C@H](O)[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](CC(=O)[O-])[C@@H]1CCOC(C)(C)C1	ZINC000070700720	553619047	/nfs/dbraw/zinc/61/90/47/553619047.db2.gz	MEUGPRHUNMHHIM-HLVADBJNSA-N	-1	0	643.774	3.053	50	0	biogenic	KGAARM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](CC(=O)[O-])[C@@H]1CCOC(C)(C)C1	ZINC000070700724	553619042	/nfs/dbraw/zinc/61/90/42/553619042.db2.gz	MEUGPRHUNMHHIM-XYOBBVPXSA-N	-1	0	643.774	3.053	50	0	biogenic	KGAARM
COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NCC(=O)[O-])C(=O)N32)c1	ZINC000070700934	553619890	/nfs/dbraw/zinc/61/98/90/553619890.db2.gz	YCYAAXNPEAWVNR-JYFHCDHNSA-N	-1	0	524.533	3.474	50	0	biogenic	KGAARM
COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NCC(=O)[O-])C(=O)N32)c1	ZINC000070700936	553619922	/nfs/dbraw/zinc/61/99/22/553619922.db2.gz	YCYAAXNPEAWVNR-OZXSUGGESA-N	-1	0	524.533	3.474	50	0	biogenic	KGAARM
COc1ccc2c(C)c(CCC(=O)N3CCC(C(=O)N[C@@H](Cc4ccccc4)C(=O)[O-])CC3)c(=O)oc2c1C	ZINC000070700957	553619959	/nfs/dbraw/zinc/61/99/59/553619959.db2.gz	UDDLQPQKIJUXHP-DEOSSOPVSA-N	-1	0	534.609	3.402	50	0	biogenic	KGAARM
COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NCC(=O)[O-])C(=O)N32)cc1	ZINC000070700996	553620271	/nfs/dbraw/zinc/62/02/71/553620271.db2.gz	DFOWKFQSCWZOJT-JYFHCDHNSA-N	-1	0	524.533	3.474	50	0	biogenic	KGAARM
COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NCC(=O)[O-])C(=O)N32)cc1	ZINC000070700998	553620221	/nfs/dbraw/zinc/62/02/21/553620221.db2.gz	DFOWKFQSCWZOJT-OZXSUGGESA-N	-1	0	524.533	3.474	50	0	biogenic	KGAARM
COc1ccc2c(C)c(CCC(=O)N[C@@H](C)C(=O)N[C@@H](CSCc3ccccc3)C(=O)[O-])c(=O)oc2c1C	ZINC000070701212	553621223	/nfs/dbraw/zinc/62/12/23/553621223.db2.gz	LAGJSWAENHKEIF-AVRDEDQJSA-N	-1	0	540.638	3.359	50	0	biogenic	KGAARM
CC(C)C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000070701281	553621179	/nfs/dbraw/zinc/62/11/79/553621179.db2.gz	CFUNPOBDQKNWHN-IGRGDXOOSA-N	-1	0	528.609	3.244	50	0	biogenic	KGAARM
CSCC[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000070701494	553622085	/nfs/dbraw/zinc/62/20/85/553622085.db2.gz	IQFXCGUOEPGFHF-WOJBJXKFSA-N	-1	0	551.731	3.179	50	0	biogenic	KGAARM
Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CO)C(=O)[O-])C(=O)N32)cc1	ZINC000070704409	553622721	/nfs/dbraw/zinc/62/27/21/553622721.db2.gz	HJYKWKRFGKMJFH-LLZJGCNPSA-N	-1	0	538.560	3.135	50	0	biogenic	KGAARM
Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CO)C(=O)[O-])C(=O)N32)cc1	ZINC000070704412	553622735	/nfs/dbraw/zinc/62/27/35/553622735.db2.gz	HJYKWKRFGKMJFH-GVUKDKGQSA-N	-1	0	538.560	3.135	50	0	biogenic	KGAARM
CSCC[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000070704445	553622724	/nfs/dbraw/zinc/62/27/24/553622724.db2.gz	IQFXCGUOEPGFHF-VQTJNVASSA-N	-1	0	551.731	3.179	50	0	biogenic	KGAARM
COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](C(=O)[O-])[C@H](C)O)C(=O)N32)cc1	ZINC000070704564	553623007	/nfs/dbraw/zinc/62/30/07/553623007.db2.gz	GHHJKYMMPLYQAF-MAYPLETRSA-N	-1	0	568.586	3.223	50	0	biogenic	KGAARM
COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C(=O)N32)cc1	ZINC000070704567	553622947	/nfs/dbraw/zinc/62/29/47/553622947.db2.gz	GHHJKYMMPLYQAF-JJLTYULESA-N	-1	0	568.586	3.223	50	0	biogenic	KGAARM
COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](C(=O)[O-])[C@H](C)O)C(=O)N32)cc1	ZINC000070704571	553623012	/nfs/dbraw/zinc/62/30/12/553623012.db2.gz	GHHJKYMMPLYQAF-CNOGLUJGSA-N	-1	0	568.586	3.223	50	0	biogenic	KGAARM
COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C(=O)N32)cc1	ZINC000070704573	553623286	/nfs/dbraw/zinc/62/32/86/553623286.db2.gz	GHHJKYMMPLYQAF-BJDNDDINSA-N	-1	0	568.586	3.223	50	0	biogenic	KGAARM
Cc1coc2cc3oc(=O)c(CC(=O)NCC(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc4ccccc4)C(=O)[O-])c(C)c3cc12	ZINC000070704612	553623217	/nfs/dbraw/zinc/62/32/17/553623217.db2.gz	WYOJFLIDRWAAOF-JWQCQUIFSA-N	-1	0	589.645	3.158	50	0	biogenic	KGAARM
O=C([O-])[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)c1ccccc1	ZINC000070704725	553623601	/nfs/dbraw/zinc/62/36/01/553623601.db2.gz	ATGZZKRQZOQPHH-NHKHRBQYSA-N	-1	0	590.636	3.143	50	0	biogenic	KGAARM
Cc1coc2c1cc1c(C)c(CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)NCC(=O)[O-])c(=O)oc1c2C	ZINC000070704893	553624085	/nfs/dbraw/zinc/62/40/85/553624085.db2.gz	FYZNKFBMSSUPSX-QHCPKHFHSA-N	-1	0	529.549	3.417	50	0	biogenic	KGAARM
COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](CCC(N)=O)C(=O)[O-])C(=O)N32)c1	ZINC000070705102	553624612	/nfs/dbraw/zinc/62/46/12/553624612.db2.gz	BBZARHAQLAEKQD-FKIGELJASA-N	-1	0	595.612	3.108	50	0	biogenic	KGAARM
COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](CCC(N)=O)C(=O)[O-])C(=O)N32)c1	ZINC000070705105	553624576	/nfs/dbraw/zinc/62/45/76/553624576.db2.gz	BBZARHAQLAEKQD-CRRLPVGBSA-N	-1	0	595.612	3.108	50	0	biogenic	KGAARM
O=C([O-])[C@H](CO)NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(Cl)c3)N2C1=O	ZINC000070705222	553624911	/nfs/dbraw/zinc/62/49/11/553624911.db2.gz	BWJLSHHSCDHIIP-RSEQLOHWSA-N	-1	0	558.978	3.480	50	0	biogenic	KGAARM
O=C([O-])[C@H](CO)NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(Cl)c3)N2C1=O	ZINC000070705227	553624755	/nfs/dbraw/zinc/62/47/55/553624755.db2.gz	BWJLSHHSCDHIIP-UMXIMWEHSA-N	-1	0	558.978	3.480	50	0	biogenic	KGAARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O	ZINC000070705368	553625287	/nfs/dbraw/zinc/62/52/87/553625287.db2.gz	IKOJGZXGNJBEAX-OIFRRMEBSA-N	-1	0	604.663	3.013	50	0	biogenic	KGAARM
NC(=O)C[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(Cl)c3)N2C1=O)C(=O)[O-]	ZINC000070705574	553625873	/nfs/dbraw/zinc/62/58/73/553625873.db2.gz	FZBOMFGUINLERS-KJOQGJGQSA-N	-1	0	586.004	3.363	50	0	biogenic	KGAARM
NC(=O)C[C@H](NC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(Cl)c3)N2C1=O)C(=O)[O-]	ZINC000070705576	553625881	/nfs/dbraw/zinc/62/58/81/553625881.db2.gz	FZBOMFGUINLERS-RZPFDVGOSA-N	-1	0	586.004	3.363	50	0	biogenic	KGAARM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O	ZINC000070705591	553625859	/nfs/dbraw/zinc/62/58/59/553625859.db2.gz	IKOJGZXGNJBEAX-FRXPANAUSA-N	-1	0	604.663	3.013	50	0	biogenic	KGAARM
COc1cc2oc(=O)c(CC(=O)N[C@@H](CSCc3ccccc3)C(=O)NCCCC(=O)[O-])c(C)c2cc1OC	ZINC000070705661	553626105	/nfs/dbraw/zinc/62/61/05/553626105.db2.gz	ITEBTKNFUQBRHD-NRFANRHFSA-N	-1	0	556.637	3.060	50	0	biogenic	KGAARM
Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CCC(N)=O)C(=O)[O-])C(=O)N32)cc1	ZINC000070705694	553626155	/nfs/dbraw/zinc/62/61/55/553626155.db2.gz	MWIMSGXJCIVHEU-YRLRHBCXSA-N	-1	0	579.613	3.408	50	0	biogenic	KGAARM
Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CCC(N)=O)C(=O)[O-])C(=O)N32)cc1	ZINC000070705697	553626116	/nfs/dbraw/zinc/62/61/16/553626116.db2.gz	MWIMSGXJCIVHEU-AGJHTDJMSA-N	-1	0	579.613	3.408	50	0	biogenic	KGAARM
CC[C@H](C)[C@@H](NC(=O)CNC(=O)CCc1c(C)c2cc3c(cc2oc1=O)oc1c3CCCC1)C(=O)NCCCC(=O)[O-]	ZINC000070705757	553626388	/nfs/dbraw/zinc/62/63/88/553626388.db2.gz	AJOCZLZCHHIAPX-SFNQZPIRSA-N	-1	0	581.666	3.287	50	0	biogenic	KGAARM
COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](C(=O)[O-])[C@H](C)O)C(=O)N32)c1	ZINC000070705783	553626334	/nfs/dbraw/zinc/62/63/34/553626334.db2.gz	FHGXOSLYDKHPCO-MAYPLETRSA-N	-1	0	568.586	3.223	50	0	biogenic	KGAARM
COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C(=O)N32)c1	ZINC000070705786	553626313	/nfs/dbraw/zinc/62/63/13/553626313.db2.gz	FHGXOSLYDKHPCO-JJLTYULESA-N	-1	0	568.586	3.223	50	0	biogenic	KGAARM
COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](C(=O)[O-])[C@H](C)O)C(=O)N32)c1	ZINC000070705789	553626357	/nfs/dbraw/zinc/62/63/57/553626357.db2.gz	FHGXOSLYDKHPCO-CNOGLUJGSA-N	-1	0	568.586	3.223	50	0	biogenic	KGAARM
COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)C(=O)N32)c1	ZINC000070705793	553626345	/nfs/dbraw/zinc/62/63/45/553626345.db2.gz	FHGXOSLYDKHPCO-BJDNDDINSA-N	-1	0	568.586	3.223	50	0	biogenic	KGAARM
Cc1oc2c(cc3c(C)c(CCC(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)NCC(=O)[O-])c(=O)oc3c2C)c1C	ZINC000070706013	553626997	/nfs/dbraw/zinc/62/69/97/553626997.db2.gz	KCTNECGHWIIAQD-QHCPKHFHSA-N	-1	0	534.565	3.339	50	0	biogenic	KGAARM
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)NCC1CCC(C(=O)[O-])CC1	ZINC000070706126	553627194	/nfs/dbraw/zinc/62/71/94/553627194.db2.gz	QBXTWRTXUYHOGT-TZYVOJFLSA-N	-1	0	562.667	3.012	50	0	biogenic	KGAARM
CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000070706184	553627490	/nfs/dbraw/zinc/62/74/90/553627490.db2.gz	OVSONCMVJKUPSF-ZEQRLZLVSA-N	-1	0	577.638	3.219	50	0	biogenic	KGAARM
COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CCC(N)=O)C(=O)[O-])C(=O)N32)c1	ZINC000070706273	553627672	/nfs/dbraw/zinc/62/76/72/553627672.db2.gz	BBZARHAQLAEKQD-YRLRHBCXSA-N	-1	0	595.612	3.108	50	0	biogenic	KGAARM
COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CCC(N)=O)C(=O)[O-])C(=O)N32)c1	ZINC000070706276	553627714	/nfs/dbraw/zinc/62/77/14/553627714.db2.gz	BBZARHAQLAEKQD-AGJHTDJMSA-N	-1	0	595.612	3.108	50	0	biogenic	KGAARM
Cc1coc2c1cc1c(C)c(CC(=O)N[C@H](Cc3ccc(O)cc3)C(=O)NCCCC(=O)[O-])c(=O)oc1c2C	ZINC000070706516	553628241	/nfs/dbraw/zinc/62/82/41/553628241.db2.gz	VLDSZQATVSWODG-HSZRJFAPSA-N	-1	0	534.565	3.421	50	0	biogenic	KGAARM
COc1cc2oc(=O)c(CC(=O)N3CCC(C(=O)NCCCC(=O)[O-])(c4ccccc4)CC3)c(C)c2cc1OC	ZINC000070706582	553628251	/nfs/dbraw/zinc/62/82/51/553628251.db2.gz	RHYDBWMLBZKJKB-UHFFFAOYSA-N	-1	0	550.608	3.203	50	0	biogenic	KGAARM
COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CCC(N)=O)C(=O)[O-])C(=O)N32)cc1	ZINC000070706955	553629366	/nfs/dbraw/zinc/62/93/66/553629366.db2.gz	IQMWCTKINYONEG-YRLRHBCXSA-N	-1	0	595.612	3.108	50	0	biogenic	KGAARM
COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CCC(N)=O)C(=O)[O-])C(=O)N32)cc1	ZINC000070706957	553629372	/nfs/dbraw/zinc/62/93/72/553629372.db2.gz	IQMWCTKINYONEG-AGJHTDJMSA-N	-1	0	595.612	3.108	50	0	biogenic	KGAARM
O=C([O-])[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)c1ccccc1	ZINC000070707104	553629940	/nfs/dbraw/zinc/62/99/40/553629940.db2.gz	ATGZZKRQZOQPHH-ZGIBFIJWSA-N	-1	0	590.636	3.143	50	0	biogenic	KGAARM
COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](C(=O)[O-])[C@H](C)O)C(=O)N32)cc1	ZINC000070707110	553629964	/nfs/dbraw/zinc/62/99/64/553629964.db2.gz	GHHJKYMMPLYQAF-AHNGBTAHSA-N	-1	0	568.586	3.223	50	0	biogenic	KGAARM
COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C(=O)N32)cc1	ZINC000070707111	553629939	/nfs/dbraw/zinc/62/99/39/553629939.db2.gz	GHHJKYMMPLYQAF-GAAZCISXSA-N	-1	0	568.586	3.223	50	0	biogenic	KGAARM
COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](C(=O)[O-])[C@H](C)O)C(=O)N32)cc1	ZINC000070707113	553629933	/nfs/dbraw/zinc/62/99/33/553629933.db2.gz	GHHJKYMMPLYQAF-IUVRIDBFSA-N	-1	0	568.586	3.223	50	0	biogenic	KGAARM
COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C(=O)N32)cc1	ZINC000070707115	553629936	/nfs/dbraw/zinc/62/99/36/553629936.db2.gz	GHHJKYMMPLYQAF-OIKGQJCFSA-N	-1	0	568.586	3.223	50	0	biogenic	KGAARM
Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](CCC(N)=O)C(=O)[O-])C(=O)N32)cc1	ZINC000070707332	553630469	/nfs/dbraw/zinc/63/04/69/553630469.db2.gz	MWIMSGXJCIVHEU-FKIGELJASA-N	-1	0	579.613	3.408	50	0	biogenic	KGAARM
Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](CCC(N)=O)C(=O)[O-])C(=O)N32)cc1	ZINC000070707334	553630421	/nfs/dbraw/zinc/63/04/21/553630421.db2.gz	MWIMSGXJCIVHEU-CRRLPVGBSA-N	-1	0	579.613	3.408	50	0	biogenic	KGAARM
Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCC(=O)NCC(=O)N[C@@H](C(=O)[O-])c1ccccc1)occ3-c1ccc(F)cc1	ZINC000070707480	553630951	/nfs/dbraw/zinc/63/09/51/553630951.db2.gz	BEKUYSXAYPATQD-SSEXGKCCSA-N	-1	0	599.571	3.371	50	0	biogenic	KGAARM
Cc1c(O)ccc2c(C)c(CC(=O)N3CCC(C(=O)N[C@@H](CSCc4ccccc4)C(=O)[O-])CC3)c(=O)oc12	ZINC000070707612	553631223	/nfs/dbraw/zinc/63/12/23/553631223.db2.gz	PBVAMKZXDRIQJG-QHCPKHFHSA-N	-1	0	552.649	3.399	50	0	biogenic	KGAARM
COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](C(=O)[O-])[C@H](C)O)C(=O)N32)c1	ZINC000070707618	553631266	/nfs/dbraw/zinc/63/12/66/553631266.db2.gz	FHGXOSLYDKHPCO-AHNGBTAHSA-N	-1	0	568.586	3.223	50	0	biogenic	KGAARM
COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C(=O)N32)c1	ZINC000070707621	553631193	/nfs/dbraw/zinc/63/11/93/553631193.db2.gz	FHGXOSLYDKHPCO-GAAZCISXSA-N	-1	0	568.586	3.223	50	0	biogenic	KGAARM
COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](C(=O)[O-])[C@H](C)O)C(=O)N32)c1	ZINC000070707624	553631214	/nfs/dbraw/zinc/63/12/14/553631214.db2.gz	FHGXOSLYDKHPCO-IUVRIDBFSA-N	-1	0	568.586	3.223	50	0	biogenic	KGAARM
COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C(=O)N32)c1	ZINC000070707626	553631212	/nfs/dbraw/zinc/63/12/12/553631212.db2.gz	FHGXOSLYDKHPCO-OIKGQJCFSA-N	-1	0	568.586	3.223	50	0	biogenic	KGAARM
Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CC(N)=O)C(=O)[O-])C(=O)N32)cc1	ZINC000070707655	553631491	/nfs/dbraw/zinc/63/14/91/553631491.db2.gz	NOJONGDQTPCESW-WFIHMLKPSA-N	-1	0	565.586	3.018	50	0	biogenic	KGAARM
Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)N[C@@H](CC(N)=O)C(=O)[O-])C(=O)N32)cc1	ZINC000070707657	553631494	/nfs/dbraw/zinc/63/14/94/553631494.db2.gz	NOJONGDQTPCESW-DPPGTGKWSA-N	-1	0	565.586	3.018	50	0	biogenic	KGAARM
CC(C)C[C@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]12	ZINC000070712278	553633782	/nfs/dbraw/zinc/63/37/82/553633782.db2.gz	FOVYMHIGTUUOLV-VWONWBEMSA-N	-1	0	534.572	3.465	50	0	biogenic	KGAARM
CC(C)C[C@@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]12	ZINC000070712280	553633704	/nfs/dbraw/zinc/63/37/04/553633704.db2.gz	FOVYMHIGTUUOLV-SJOSQULISA-N	-1	0	534.572	3.465	50	0	biogenic	KGAARM
CC(C)C[C@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]12	ZINC000070712282	553633646	/nfs/dbraw/zinc/63/36/46/553633646.db2.gz	FOVYMHIGTUUOLV-UDTOEARNSA-N	-1	0	534.572	3.465	50	0	biogenic	KGAARM
CC(C)C[C@@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]12	ZINC000070712284	553633966	/nfs/dbraw/zinc/63/39/66/553633966.db2.gz	FOVYMHIGTUUOLV-BMDFYCIYSA-N	-1	0	534.572	3.465	50	0	biogenic	KGAARM
CC(C)(C)OC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000071769259	553636368	/nfs/dbraw/zinc/63/63/68/553636368.db2.gz	ZQHMSGLTKSWBIT-OALUTQOASA-N	-1	0	522.595	3.095	50	0		KGAARM
COC(=O)[C@H](Cc1cc(I)c([O-])c(I)c1)NC(=O)OC(C)(C)C	ZINC000071788016	553637435	/nfs/dbraw/zinc/63/74/35/553637435.db2.gz	LYSAEUWOAILRMR-NSHDSACASA-N	-1	0	547.127	3.210	50	0		KGAARM
Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])c(C)c2c1OC(C)(C)CC2	ZINC000071788030	553637423	/nfs/dbraw/zinc/63/74/23/553637423.db2.gz	WVNWVMLZWUTJPA-SFHVURJKSA-N	-1	0	540.683	3.276	50	0		KGAARM
Cc1c2c(c(C)c(C)c1S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-])OC(C)(C)C2	ZINC000071788246	553638280	/nfs/dbraw/zinc/63/82/80/553638280.db2.gz	YBLFBAMLWBGRMI-OAQYLSRUSA-N	-1	0	560.673	3.288	50	0		KGAARM
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1oc2cc([O-])ccc2c(=O)c1-c1ccc(F)cc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000079183227	553666294	/nfs/dbraw/zinc/66/62/94/553666294.db2.gz	MINBUKAFVRAUDG-PKTNWEFCSA-N	-1	0	716.767	3.009	50	0	biogenic	KGAARM
CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1oc2cc([O-])ccc2c(=O)c1-c1ccc(F)cc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000079183228	553666280	/nfs/dbraw/zinc/66/62/80/553666280.db2.gz	MINBUKAFVRAUDG-FCEKVYKBSA-N	-1	0	716.767	3.009	50	0	biogenic	KGAARM
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1OC	ZINC000095601367	553705351	/nfs/dbraw/zinc/70/53/51/553705351.db2.gz	XAUPKYZUMNRSLI-RMKNXTFCSA-N	-1	0	545.035	3.430	50	0		KGAARM
O=C([O-])CCOCCOCCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000095698410	553708709	/nfs/dbraw/zinc/70/87/09/553708709.db2.gz	HEGZERUHBVYZPH-UHFFFAOYSA-N	-1	0	575.655	3.099	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(SCCOc3ccc(S(N)(=O)=O)cc3)nc2c1	ZINC000096021623	553717474	/nfs/dbraw/zinc/71/74/74/553717474.db2.gz	CMFJZCYSGCNJID-UHFFFAOYSA-N	-1	0	535.625	3.456	50	0		KGAARM
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)[O-])c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000096113671	553724335	/nfs/dbraw/zinc/72/43/35/553724335.db2.gz	MBLQSVMQFNCPKQ-ICSRJNTNSA-N	-1	0	516.616	3.481	50	0	biogenic	KGAARM
COC(=O)C[C@H](c1ccc(OCC(N)=O)c(OC)c1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21	ZINC000096115532	553726194	/nfs/dbraw/zinc/72/61/94/553726194.db2.gz	JSRNTOKNNRFWSP-QGZVFWFLSA-N	-1	0	519.506	3.439	50	0	biogenic	KGAARM
COC(=O)C[C@@H](c1ccc(OCC(N)=O)c(OC)c1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21	ZINC000096115533	553726116	/nfs/dbraw/zinc/72/61/16/553726116.db2.gz	JSRNTOKNNRFWSP-KRWDZBQOSA-N	-1	0	519.506	3.439	50	0	biogenic	KGAARM
CCCOc1ccc(-c2nc(=O)c(CCC(=O)N3CCN(Cc4ccc(F)cc4)CC3)n[n-]2)cc1OC	ZINC000096237139	553731568	/nfs/dbraw/zinc/73/15/68/553731568.db2.gz	HTRUPSLVSMDXSJ-UHFFFAOYSA-N	-1	0	509.582	3.045	50	0		KGAARM
CCC(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2cccc(F)c2)c(S(=O)(=O)NCCOC)c1	ZINC000096292019	553745630	/nfs/dbraw/zinc/74/56/30/553745630.db2.gz	NEPAZCWBRGKCDX-UHFFFAOYSA-N	-1	0	520.539	3.084	50	0		KGAARM
CCCNS(=O)(=O)c1cc(NC(=O)c2cccc(OC)c2)ccc1Oc1c(C)c(C(=O)[O-])nn1C	ZINC000096292606	553746791	/nfs/dbraw/zinc/74/67/91/553746791.db2.gz	DJLJNLNNTMRVCR-UHFFFAOYSA-N	-1	0	502.549	3.168	50	0		KGAARM
Cc1c(C(=O)[O-])nn(C(C)(C)C)c1Oc1ccc(NC(=O)C2CCC2)cc1S(=O)(=O)N1CCOCC1	ZINC000096317716	553750457	/nfs/dbraw/zinc/75/04/57/553750457.db2.gz	ACAZMXGETNTWQY-UHFFFAOYSA-N	-1	0	520.608	3.197	50	0		KGAARM
CC[C@@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2C(C)(C)C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000096317717	553750447	/nfs/dbraw/zinc/75/04/47/553750447.db2.gz	TUYFKRFNYAKDGY-OAHLLOKOSA-N	-1	0	522.624	3.443	50	0		KGAARM
CC[C@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2C(C)(C)C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000096317718	553750431	/nfs/dbraw/zinc/75/04/31/553750431.db2.gz	TUYFKRFNYAKDGY-HNNXBMFYSA-N	-1	0	522.624	3.443	50	0		KGAARM
COc1ccc(C(=O)Nc2ccc(Oc3cc(C(=O)[O-])nn3C)c(S(=O)(=O)NCC(C)C)c2)cc1	ZINC000096317731	553750810	/nfs/dbraw/zinc/75/08/10/553750810.db2.gz	MRCXLOQZZJXGRA-UHFFFAOYSA-N	-1	0	502.549	3.106	50	0		KGAARM
COc1cccc(C(=O)Nc2ccc(Oc3c(C)c(C(=O)[O-])nn3C)c(S(=O)(=O)NC(C)C)c2)c1	ZINC000096317735	553750873	/nfs/dbraw/zinc/75/08/73/553750873.db2.gz	KXWLMGAZZJYWDR-UHFFFAOYSA-N	-1	0	502.549	3.167	50	0		KGAARM
Cc1c(C(=O)[O-])nn(C)c1Oc1ccc(NC(=O)c2ccc(F)c(C)c2)cc1S(=O)(=O)NC1CC1	ZINC000096317896	553751084	/nfs/dbraw/zinc/75/10/84/553751084.db2.gz	AWOCLETVGQACMY-UHFFFAOYSA-N	-1	0	502.524	3.360	50	0		KGAARM
COCCNS(=O)(=O)c1cc(NC(=O)c2ccccc2Cl)ccc1Oc1c(C)c(C(=O)[O-])nn1C	ZINC000096317929	553750981	/nfs/dbraw/zinc/75/09/81/553750981.db2.gz	UXMDEFFPMKSVLR-UHFFFAOYSA-N	-1	0	522.967	3.049	50	0		KGAARM
CCCNS(=O)(=O)c1cc(NC(C)=O)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccc(OC)cc1	ZINC000096317932	553750970	/nfs/dbraw/zinc/75/09/70/553750970.db2.gz	QISCLYZTPRLRGR-UHFFFAOYSA-N	-1	0	502.549	3.327	50	0		KGAARM
CCn1nc(C(=O)[O-])c(C)c1Oc1ccc(NC(=O)c2cccs2)cc1S(=O)(=O)N1CCOCC1	ZINC000096317995	553751352	/nfs/dbraw/zinc/75/13/52/553751352.db2.gz	VIQOWNATISOMJV-UHFFFAOYSA-N	-1	0	520.589	3.037	50	0		KGAARM
CCn1nc(C(=O)[O-])c(C)c1Oc1ccc(NC(=O)CC(C)(C)C)cc1S(=O)(=O)N1CCOCC1	ZINC000096317996	553751362	/nfs/dbraw/zinc/75/13/62/553751362.db2.gz	AKWOTDXMPRQBRE-UHFFFAOYSA-N	-1	0	508.597	3.098	50	0		KGAARM
CCC(CC)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2CC)c(S(=O)(=O)N2CCN(C)CC2)c1	ZINC000096318290	553751581	/nfs/dbraw/zinc/75/15/81/553751581.db2.gz	JZQHEFXJCDQPHV-UHFFFAOYSA-N	-1	0	521.640	3.013	50	0		KGAARM
Cc1c(C(=O)[O-])nn(C(C)(C)C)c1Oc1ccc(NC(=O)CC(C)C)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000096318292	553751602	/nfs/dbraw/zinc/75/16/02/553751602.db2.gz	AKSQDLGBZNJOIK-UHFFFAOYSA-N	-1	0	535.667	3.358	50	0		KGAARM
COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1	ZINC000096602199	553756932	/nfs/dbraw/zinc/75/69/32/553756932.db2.gz	NMXGTDAZGAZEQZ-UHFFFAOYSA-N	-1	0	501.634	3.315	50	0		KGAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Br)c(C)c3)cc2)nc(OC)n1	ZINC000097940290	553764273	/nfs/dbraw/zinc/76/42/73/553764273.db2.gz	UONRUMNNRMARFQ-UHFFFAOYSA-N	-1	0	537.392	3.383	50	0		KGAARM
O=C([C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CCc2c(=O)n3[n-]c(-c4ccccc4)cc3nc2C1	ZINC000097942029	553768011	/nfs/dbraw/zinc/76/80/11/553768011.db2.gz	HVONOSGAMFVGCK-MRXNPFEDSA-N	-1	0	505.937	3.420	50	0		KGAARM
O=C([C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CCc2c(=O)n3[n-]c(-c4ccccc4)cc3nc2C1	ZINC000097942030	553768059	/nfs/dbraw/zinc/76/80/59/553768059.db2.gz	HVONOSGAMFVGCK-INIZCTEOSA-N	-1	0	505.937	3.420	50	0		KGAARM
O=C([O-])CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000097945838	553774944	/nfs/dbraw/zinc/77/49/44/553774944.db2.gz	VYXGUCLTEWCVRY-UHFFFAOYSA-N	-1	0	663.761	3.133	50	0	in-vitro	KGAARM
CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=S)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)CC2)cc1	ZINC000097948491	553794081	/nfs/dbraw/zinc/79/40/81/553794081.db2.gz	KOGNYFATCQYJJQ-UHFFFAOYSA-N	-1	0	574.754	3.278	50	0		KGAARM
CCCC(=O)N[C@@]([N-]c1cc([C@@](O)(C(=O)OCC)C(F)(F)F)ccc1OC)(C(=O)OCC)C(F)(F)F	ZINC000097949484	553801961	/nfs/dbraw/zinc/80/19/61/553801961.db2.gz	UQODUVOHESJSJX-MOPGFXCFSA-N	-1	0	532.434	3.158	50	0		KGAARM
CCCC(=O)N[C@]([N-]c1cc([C@@](O)(C(=O)OCC)C(F)(F)F)ccc1OC)(C(=O)OCC)C(F)(F)F	ZINC000097949485	553802027	/nfs/dbraw/zinc/80/20/27/553802027.db2.gz	UQODUVOHESJSJX-RTBURBONSA-N	-1	0	532.434	3.158	50	0		KGAARM
CCCC(=O)N[C@@]([N-]c1cc([C@](O)(C(=O)OCC)C(F)(F)F)ccc1OC)(C(=O)OCC)C(F)(F)F	ZINC000097949486	553801925	/nfs/dbraw/zinc/80/19/25/553801925.db2.gz	UQODUVOHESJSJX-OALUTQOASA-N	-1	0	532.434	3.158	50	0		KGAARM
CCCC(=O)N[C@]([N-]c1cc([C@](O)(C(=O)OCC)C(F)(F)F)ccc1OC)(C(=O)OCC)C(F)(F)F	ZINC000097949487	553802014	/nfs/dbraw/zinc/80/20/14/553802014.db2.gz	UQODUVOHESJSJX-RBUKOAKNSA-N	-1	0	532.434	3.158	50	0		KGAARM
O=c1c(C(c2ccc(OCc3ccccc3)cc2)c2c(O)nc3n(c2=O)CCS3)c([O-])nc2n1CCS2	ZINC000097949801	553803118	/nfs/dbraw/zinc/80/31/18/553803118.db2.gz	YBDLXCSTYNZPGY-UHFFFAOYSA-N	-1	0	534.619	3.182	50	0		KGAARM
O=c1c(C(c2cccc(Br)c2)c2c(O)nc3n(c2=O)CCCS3)c([O-])nc2n1CCCS2	ZINC000097949813	553803513	/nfs/dbraw/zinc/80/35/13/553803513.db2.gz	JVCBHUSSUUAFJS-UHFFFAOYSA-N	-1	0	535.445	3.146	50	0		KGAARM
COc1c(N2CCN(C(=S)NC(=O)c3ccco3)[C@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000097954913	553826666	/nfs/dbraw/zinc/82/66/66/553826666.db2.gz	QEXXHIZBBIHZLU-CYBMUJFWSA-N	-1	0	528.562	3.001	50	0		KGAARM
COc1c(N2CCN(C(=S)NC(=O)c3ccco3)[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000097954914	553826785	/nfs/dbraw/zinc/82/67/85/553826785.db2.gz	QEXXHIZBBIHZLU-ZDUSSCGKSA-N	-1	0	528.562	3.001	50	0		KGAARM
COc1cc(C(=O)N/C(=C/c2ccc(Br)cc2)C(=O)N[C@H](C(=O)[O-])C(C)C)cc(OC)c1OC	ZINC000097956065	553836034	/nfs/dbraw/zinc/83/60/34/553836034.db2.gz	XPJWJHZILIVIDC-YZILGEIOSA-N	-1	0	535.391	3.471	50	0		KGAARM
COc1cc(C(=O)N/C(=C/c2ccc(Br)cc2)C(=O)N[C@@H](C(=O)[O-])C(C)C)cc(OC)c1OC	ZINC000097956066	553836116	/nfs/dbraw/zinc/83/61/16/553836116.db2.gz	XPJWJHZILIVIDC-OTJDAXFFSA-N	-1	0	535.391	3.471	50	0		KGAARM
Cc1oc2cc3oc(=O)c(CCC(=O)NCC(=O)NCC(=O)N[C@@H](CSCc4ccccc4)C(=O)[O-])c(C)c3cc2c1C	ZINC000097956946	553843290	/nfs/dbraw/zinc/84/32/90/553843290.db2.gz	QESDHNMLLDXOAW-DEOSSOPVSA-N	-1	0	607.685	3.132	50	0		KGAARM
Cc1c2oc3c(c2cc2c(C)c(CC(=O)NCC(=O)NCC(=O)N4CCC(C(=O)[O-])(c5ccccc5)CC4)c(=O)oc12)CCCC3	ZINC000097956987	553843587	/nfs/dbraw/zinc/84/35/87/553843587.db2.gz	AAVJCCDDWJTEQI-UHFFFAOYSA-N	-1	0	627.694	3.455	50	0		KGAARM
Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCC(=O)NCC(=O)[O-])occ3-c1ccc(Br)cc1	ZINC000097957106	553844521	/nfs/dbraw/zinc/84/45/21/553844521.db2.gz	QLWVLAUVWXUYEU-UHFFFAOYSA-N	-1	0	527.327	3.137	50	0		KGAARM
CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])c(OC)c3)c(=O)n21	ZINC000097957858	553849046	/nfs/dbraw/zinc/84/90/46/553849046.db2.gz	GEJOEPAMWOJERN-IBYCJETLSA-N	-1	0	596.658	3.068	50	0		KGAARM
CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCC)=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])c(OC)c3)c(=O)n21	ZINC000097957859	553849042	/nfs/dbraw/zinc/84/90/42/553849042.db2.gz	GEJOEPAMWOJERN-OFCKJYIJSA-N	-1	0	596.658	3.068	50	0		KGAARM
COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)N3CCC(Cc4ccccc4)CC3)[n-]c2=O)cc1OC	ZINC000097958201	553852101	/nfs/dbraw/zinc/85/21/01/553852101.db2.gz	MDZCCQSJSQSUIS-UHFFFAOYSA-N	-1	0	537.642	3.195	50	0		KGAARM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCC(=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000097958515	553855431	/nfs/dbraw/zinc/85/54/31/553855431.db2.gz	KMFFWFFKDLIHIY-TUPCFRFDSA-N	-1	0	570.623	3.408	50	0		KGAARM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCC(=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000097958516	553855598	/nfs/dbraw/zinc/85/55/98/553855598.db2.gz	KMFFWFFKDLIHIY-GFPOGIEWSA-N	-1	0	570.623	3.408	50	0		KGAARM
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(OCC(=O)[O-])c4)c(=O)n32)cc1	ZINC000097959065	553860410	/nfs/dbraw/zinc/86/04/10/553860410.db2.gz	LWRLCERAFCMJIN-QFDNUGPTSA-N	-1	0	555.612	3.346	50	0		KGAARM
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(OCC(=O)[O-])c4)c(=O)n32)cc1	ZINC000097959066	553860398	/nfs/dbraw/zinc/86/03/98/553860398.db2.gz	LWRLCERAFCMJIN-MZANGIHLSA-N	-1	0	555.612	3.346	50	0		KGAARM
COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000097960090	553868058	/nfs/dbraw/zinc/86/80/58/553868058.db2.gz	NHFZGCBXZLRUJD-MOSHPQCFSA-N	-1	0	546.001	3.197	50	0		KGAARM
CCOc1cc(/C=C2/NC(=O)[N-]C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1	ZINC000097960157	553868606	/nfs/dbraw/zinc/86/86/06/553868606.db2.gz	ICXLGADNNMFWCI-CXUHLZMHSA-N	-1	0	521.311	3.196	50	0		KGAARM
O=C([O-])c1ccc(COc2c(I)cc(/C=C3\NC(=O)NC3=O)cc2I)cc1	ZINC000097960207	553869293	/nfs/dbraw/zinc/86/92/93/553869293.db2.gz	UEOZNJFNUHCZFR-AUWJEWJLSA-N	-1	0	590.111	3.353	50	0		KGAARM
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(=O)/c(=C/c3cccc(OCC(=O)[O-])c3)sc2=N1	ZINC000097963013	553886049	/nfs/dbraw/zinc/88/60/49/553886049.db2.gz	DLTJGCZSULHUOT-WNOSOOIWSA-N	-1	0	531.615	3.399	50	0		KGAARM
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(=O)/c(=C/c3cccc(OCC(=O)[O-])c3)sc2=N1	ZINC000097963014	553886046	/nfs/dbraw/zinc/88/60/46/553886046.db2.gz	DLTJGCZSULHUOT-OBVMJLIASA-N	-1	0	531.615	3.399	50	0		KGAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3ccc(COc4cc(C)ccc4C(C)C)o3)[C@H]2SC1	ZINC000097966050	553906784	/nfs/dbraw/zinc/90/67/84/553906784.db2.gz	UELJLUIXOBQOJE-SQJMNOBHSA-N	-1	0	528.583	3.206	50	0		KGAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3ccc(COc4cc(C)ccc4C(C)C)o3)[C@H]2SC1	ZINC000097966051	553906792	/nfs/dbraw/zinc/90/67/92/553906792.db2.gz	UELJLUIXOBQOJE-PXDATVDWSA-N	-1	0	528.583	3.206	50	0		KGAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3ccc(COc4cc(C)ccc4C(C)C)o3)[C@@H]2SC1	ZINC000097966052	553906781	/nfs/dbraw/zinc/90/67/81/553906781.db2.gz	UELJLUIXOBQOJE-OFVILXPXSA-N	-1	0	528.583	3.206	50	0		KGAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3ccc(COc4cc(C)ccc4C(C)C)o3)[C@@H]2SC1	ZINC000097966053	553906785	/nfs/dbraw/zinc/90/67/85/553906785.db2.gz	UELJLUIXOBQOJE-BWKNWUBXSA-N	-1	0	528.583	3.206	50	0		KGAARM
COc1cc([C@H](CC(=O)N2CCN(C)CC2)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)ccc1OCC(N)=O	ZINC000097972006	553965047	/nfs/dbraw/zinc/96/50/47/553965047.db2.gz	OOFQUJAYOMEITK-NRFANRHFSA-N	-1	0	587.629	3.040	50	0	biogenic	KGAARM
COc1cc([C@@H](CC(=O)N2CCN(C)CC2)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)ccc1OCC(N)=O	ZINC000097972007	553965023	/nfs/dbraw/zinc/96/50/23/553965023.db2.gz	OOFQUJAYOMEITK-OAQYLSRUSA-N	-1	0	587.629	3.040	50	0	biogenic	KGAARM
CCOC(=O)CNC(=O)[C@@H](CC)Cc1c(I)cc(I)c([O-])c1I	ZINC000097976900	553973047	/nfs/dbraw/zinc/97/30/47/553973047.db2.gz	ZUKBNPXZUBKXCY-QMMMGPOBSA-N	-1	0	657.024	3.454	50	0		KGAARM
CCOC(=O)CNC(=O)[C@H](CC)Cc1c(I)cc(I)c([O-])c1I	ZINC000097976901	553973066	/nfs/dbraw/zinc/97/30/66/553973066.db2.gz	ZUKBNPXZUBKXCY-MRVPVSSYSA-N	-1	0	657.024	3.454	50	0		KGAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C/c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2OC)cc1	ZINC000097980616	553989950	/nfs/dbraw/zinc/98/99/50/553989950.db2.gz	GRGASKBDKGNEMI-LHHJGKSTSA-N	-1	0	587.676	3.177	50	0		KGAARM
Cc1c(C(=O)[O-])sc2nc(C)nc(SCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)c12	ZINC000097982701	554005190	/nfs/dbraw/zinc/00/51/90/554005190.db2.gz	KOBXXSPJOUUZBR-UHFFFAOYSA-N	-1	0	557.075	3.411	50	0		KGAARM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	ZINC000097982895	554006146	/nfs/dbraw/zinc/00/61/46/554006146.db2.gz	DEXQYKBFSRFTTM-UHFFFAOYSA-N	-1	0	618.709	3.045	50	0		KGAARM
Cc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1	ZINC000097982921	554006615	/nfs/dbraw/zinc/00/66/15/554006615.db2.gz	DDNFKMQUQCKTOV-UHFFFAOYSA-N	-1	0	533.603	3.208	50	0		KGAARM
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1	ZINC000097982934	554006621	/nfs/dbraw/zinc/00/66/21/554006621.db2.gz	VXTIOJVMQMDTFE-UHFFFAOYSA-N	-1	0	563.629	3.217	50	0		KGAARM
O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1	ZINC000097984630	554017865	/nfs/dbraw/zinc/01/78/65/554017865.db2.gz	XBWVSNQAQYNZLF-UHFFFAOYSA-N	-1	0	525.612	3.195	50	0		KGAARM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)NC(=O)c4ccccc4I)CC3)cc21	ZINC000098000354	554050512	/nfs/dbraw/zinc/05/05/12/554050512.db2.gz	GNPGVGKZLYISTB-UHFFFAOYSA-N	-1	0	608.433	3.300	50	0		KGAARM
O=C([O-])c1cc(I)ccc1NC(=O)c1ccc2c(c1)C(=O)N(N1C(=O)c3ccccc3C1=O)C2=O	ZINC000098002659	554053846	/nfs/dbraw/zinc/05/38/46/554053846.db2.gz	GKISITPSMZQHMM-UHFFFAOYSA-N	-1	0	581.278	3.049	50	0		KGAARM
CCOC(=O)c1c2c(sc1NC(=S)N1CCN(c3ncc4c(=O)c(C(=O)[O-])cn(CC)c4n3)CC1)C[C@H](C)CC2	ZINC000098008260	554067222	/nfs/dbraw/zinc/06/72/22/554067222.db2.gz	SZBLOQNJSXUQMF-OAHLLOKOSA-N	-1	0	584.724	3.392	50	0		KGAARM
CCOC(=O)c1c2c(sc1NC(=S)N1CCN(c3ncc4c(=O)c(C(=O)[O-])cn(CC)c4n3)CC1)C[C@@H](C)CC2	ZINC000098008261	554067172	/nfs/dbraw/zinc/06/71/72/554067172.db2.gz	SZBLOQNJSXUQMF-HNNXBMFYSA-N	-1	0	584.724	3.392	50	0		KGAARM
CCN1CCN(C2=C(c3c(C)[n-]n(-c4cccc(Cl)c4)c3=O)C(=O)N(c3ccc(OC)cc3OC)C2=O)CC1	ZINC000098012484	554091197	/nfs/dbraw/zinc/09/11/97/554091197.db2.gz	AGVUVMOYOLEPEF-UHFFFAOYSA-N	-1	0	552.031	3.479	50	0		KGAARM
O=C([O-])c1cc(Br)ccc1NC(=O)c1ccc2c(c1)C(=O)N(N1C(=O)c3ccccc3C1=O)C2=O	ZINC000098043396	554127088	/nfs/dbraw/zinc/12/70/88/554127088.db2.gz	YVHCXOGLIZUNHI-UHFFFAOYSA-N	-1	0	534.278	3.207	50	0		KGAARM
CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000098045702	554133550	/nfs/dbraw/zinc/13/35/50/554133550.db2.gz	PETFGOJNBLQADF-JOCHJYFZSA-N	-1	0	569.665	3.435	50	0		KGAARM
CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000098045703	554133561	/nfs/dbraw/zinc/13/35/61/554133561.db2.gz	PETFGOJNBLQADF-QFIPXVFZSA-N	-1	0	569.665	3.435	50	0		KGAARM
CCOC(=O)C1CCN(C(=O)c2cnc3ccc(S(=O)(=O)N(C)c4ccc(Cl)cc4)cc3c2O)CC1	ZINC000098049772	554168796	/nfs/dbraw/zinc/16/87/96/554168796.db2.gz	WPUBANXVWUHMNZ-UHFFFAOYSA-N	-1	0	532.018	3.422	50	0		KGAARM
CC1(C)CC[C@]2(C(=O)[O-])[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(CO)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1	ZINC000100067595	554200074	/nfs/dbraw/zinc/20/00/74/554200074.db2.gz	APTNOIWSCDBIAS-PCHRGASXSA-N	-1	0	520.707	3.120	50	0	biogenic,in-vitro	KGAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC000100115711	554223170	/nfs/dbraw/zinc/22/31/70/554223170.db2.gz	XVQKDXYRBZICOZ-ZRBLBEILSA-N	-1	0	533.610	3.002	50	0		KGAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@@H](Cc1ccccc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC000100115713	554223239	/nfs/dbraw/zinc/22/32/39/554223239.db2.gz	XVQKDXYRBZICOZ-XPWALMASSA-N	-1	0	533.610	3.002	50	0		KGAARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(OC)c(OC)c3)cc2)s1	ZINC000100299432	554289915	/nfs/dbraw/zinc/28/99/15/554289915.db2.gz	LMIROASAYRAZLY-WUXMJOGZSA-N	-1	0	533.657	3.445	50	0		KGAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)nc(OC)n1	ZINC000100434121	554392476	/nfs/dbraw/zinc/39/24/76/554392476.db2.gz	AGAIMEGAGVAXRB-UHFFFAOYSA-N	-1	0	531.660	3.324	50	0		KGAARM
O=C([O-])CCC(=O)NCCCOCCOCCOCCCNC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000100484293	554402094	/nfs/dbraw/zinc/40/20/94/554402094.db2.gz	VWGYNWSOHMVYGG-UHFFFAOYSA-N	-1	0	542.629	3.336	50	0		KGAARM
CCCSc1nc([O-])c(C(c2ccc(OC)c(O)c2)c2c(O)nc(SCCC)n(C)c2=O)c(=O)n1C	ZINC000100509375	554408396	/nfs/dbraw/zinc/40/83/96/554408396.db2.gz	YVIKNSIYGUSCAV-UHFFFAOYSA-N	-1	0	534.660	3.184	50	0		KGAARM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)/N=c2\sc3cc(S(C)(=O)=O)ccc3n2C)cc1	ZINC000100859711	554494353	/nfs/dbraw/zinc/49/43/53/554494353.db2.gz	IXNWYQOSXSCABM-VHXPQNKSSA-N	-1	0	515.638	3.494	50	0		KGAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccn(OCc4ccc(F)cc4)c3=O)cc2)n1	ZINC000100911782	554517921	/nfs/dbraw/zinc/51/79/21/554517921.db2.gz	ABMBPBVIFXRTNP-UHFFFAOYSA-N	-1	0	523.546	3.076	50	0		KGAARM
CCOC(=O)c1[n-]n(C(=O)Nc2ccc(OC)cc2)c2c(O)n(-c3cccc(C(F)(F)F)c3)c(=O)c1-2	ZINC000100914101	554519324	/nfs/dbraw/zinc/51/93/24/554519324.db2.gz	XGMZKPTXMBDOEP-SJLPKXTDSA-N	-1	0	504.421	3.039	50	0		KGAARM
CCOC(=O)c1[n-]n(C(=O)Nc2ccc(OC)cc2)c2c(O)n(-c3cccc(C(F)(F)F)c3)c(=O)c1-2	ZINC000100914103	554519342	/nfs/dbraw/zinc/51/93/42/554519342.db2.gz	XGMZKPTXMBDOEP-AEFFLSMTSA-N	-1	0	504.421	3.039	50	0		KGAARM
CCOC(=O)c1[n-]n(C(=O)Nc2ccc(OC)cc2)c2c(O)n(-c3cccc(C(F)(F)F)c3)c(=O)c1-2	ZINC000100914104	554519382	/nfs/dbraw/zinc/51/93/82/554519382.db2.gz	XGMZKPTXMBDOEP-FUHWJXTLSA-N	-1	0	504.421	3.039	50	0		KGAARM
CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C)CCCC4)cc1	ZINC000100976615	554547019	/nfs/dbraw/zinc/54/70/19/554547019.db2.gz	RZNIMCRBLOMKRS-UHFFFAOYSA-N	-1	0	563.727	3.393	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)[C@H](C)n4nc(C(F)(F)F)c(Cl)c4C)[C@H]3SC2)s1	ZINC000100991019	554550118	/nfs/dbraw/zinc/55/01/18/554550118.db2.gz	ZTQOKUYLKZQROV-RBNDEXQUSA-N	-1	0	583.039	3.116	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)[C@@H](C)n4nc(C(F)(F)F)c(Cl)c4C)[C@H]3SC2)s1	ZINC000100991021	554550095	/nfs/dbraw/zinc/55/00/95/554550095.db2.gz	ZTQOKUYLKZQROV-CFEGQOMGSA-N	-1	0	583.039	3.116	50	0		KGAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Br)cc3)c(=O)c1=2)Nc1ccc(Br)cc1	ZINC000101078485	554578280	/nfs/dbraw/zinc/57/82/80/554578280.db2.gz	ZXRGPEPAPCLVSO-JKSUJKDBSA-N	-1	0	507.142	3.144	50	0		KGAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Br)cc3)c(=O)c1=2)Nc1ccc(Br)cc1	ZINC000101078487	554578273	/nfs/dbraw/zinc/57/82/73/554578273.db2.gz	ZXRGPEPAPCLVSO-HOTGVXAUSA-N	-1	0	507.142	3.144	50	0		KGAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Br)cc3)c(=O)c1=2)Nc1ccc(Br)cc1	ZINC000101078489	554578290	/nfs/dbraw/zinc/57/82/90/554578290.db2.gz	ZXRGPEPAPCLVSO-CVEARBPZSA-N	-1	0	507.142	3.144	50	0		KGAARM
O=c1/c(=C/c2cc(I)c([O-])c(I)c2)sc2nc3ccccc3n12	ZINC000101083966	554580009	/nfs/dbraw/zinc/58/00/09/554580009.db2.gz	WKENQJWEPWGJTQ-QPEQYQDCSA-N	-1	0	546.127	3.372	50	0		KGAARM
COc1ccc(CCNC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[n-]2)cc1OC	ZINC000101272981	554701210	/nfs/dbraw/zinc/70/12/10/554701210.db2.gz	STQWOHZXYBUSDE-UHFFFAOYSA-N	-1	0	545.683	3.368	50	0		KGAARM
O=C(CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[n-]1)NCCCc1ccccc1	ZINC000101273290	554701652	/nfs/dbraw/zinc/70/16/52/554701652.db2.gz	LPDUSLOVGIWXHX-UHFFFAOYSA-N	-1	0	522.446	3.206	50	0		KGAARM
O=C([O-])C1CCC(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)n2c(=O)[nH]c3ccccc3c2=O)CC1	ZINC000101367158	554743993	/nfs/dbraw/zinc/74/39/93/554743993.db2.gz	WNFIRIBROSHPPQ-PWNJXPRTSA-N	-1	0	596.684	3.208	50	0		KGAARM
CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)NCC1CCC(C(=O)[O-])CC1	ZINC000101370035	554744436	/nfs/dbraw/zinc/74/44/36/554744436.db2.gz	DARWWBXHWMVULB-XHRQQLGHSA-N	-1	0	562.667	3.012	50	0		KGAARM
CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)NCC1CCC(C(=O)[O-])CC1	ZINC000101370037	554744337	/nfs/dbraw/zinc/74/43/37/554744337.db2.gz	DARWWBXHWMVULB-ABQQZFPPSA-N	-1	0	562.667	3.012	50	0		KGAARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=C(NCCCN3CCOCC3)Nc3ccc(Cl)cc3)C2=O)c(C)c1	ZINC000101378170	554747322	/nfs/dbraw/zinc/74/73/22/554747322.db2.gz	JVUXDFRXVOLKFK-FCQUAONHSA-N	-1	0	512.010	3.175	50	0		KGAARM
CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)NCC1CCC(C(=O)[O-])CC1	ZINC000101382508	554748723	/nfs/dbraw/zinc/74/87/23/554748723.db2.gz	QBXTWRTXUYHOGT-BDBAHPOVSA-N	-1	0	562.667	3.012	50	0		KGAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Oc5ccccc5)cc4)c=3c2=O)cc1OC	ZINC000101390219	554754077	/nfs/dbraw/zinc/75/40/77/554754077.db2.gz	TXSCOETUVWMOQU-ZEQRLZLVSA-N	-1	0	501.499	3.428	50	0		KGAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Oc5ccccc5)cc4)c=3c2=O)cc1OC	ZINC000101390225	554754131	/nfs/dbraw/zinc/75/41/31/554754131.db2.gz	TXSCOETUVWMOQU-RPWUZVMVSA-N	-1	0	501.499	3.428	50	0		KGAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Oc5ccccc5)cc4)c=3c2=O)cc1OC	ZINC000101390230	554754070	/nfs/dbraw/zinc/75/40/70/554754070.db2.gz	TXSCOETUVWMOQU-DNQXCXABSA-N	-1	0	501.499	3.428	50	0		KGAARM
CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2C)cc1	ZINC000101403451	554760678	/nfs/dbraw/zinc/76/06/78/554760678.db2.gz	AIEOULDUOLMCID-UHFFFAOYSA-N	-1	0	532.648	3.010	50	0		KGAARM
COc1cc(NC(=O)[C@H](NS(=O)(=O)c2cccc3nsnc32)c2ccccc2)c(C(=O)[O-])cc1OC	ZINC000101430239	554770357	/nfs/dbraw/zinc/77/03/57/554770357.db2.gz	YAQIPBSCUBDWQI-HXUWFJFHSA-N	-1	0	528.568	3.065	50	0		KGAARM
COc1cc(NC(=O)[C@@H](NS(=O)(=O)c2cccc3nsnc32)c2ccccc2)c(C(=O)[O-])cc1OC	ZINC000101430244	554770431	/nfs/dbraw/zinc/77/04/31/554770431.db2.gz	YAQIPBSCUBDWQI-FQEVSTJZSA-N	-1	0	528.568	3.065	50	0		KGAARM
CC(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2cc(C)ccc2C)c(S(=O)(=O)N2CCOCC2)c1	ZINC000101491235	554786073	/nfs/dbraw/zinc/78/60/73/554786073.db2.gz	FNMOPOSHEUODRD-UHFFFAOYSA-N	-1	0	528.587	3.267	50	0		KGAARM
CC(C)[C@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]12	ZINC000101496615	554787019	/nfs/dbraw/zinc/78/70/19/554787019.db2.gz	HANAGORMTIXFTG-KJMNMTOCSA-N	-1	0	520.545	3.075	50	0		KGAARM
CC(C)[C@@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]12	ZINC000101496616	554787026	/nfs/dbraw/zinc/78/70/26/554787026.db2.gz	HANAGORMTIXFTG-UCTCLUAXSA-N	-1	0	520.545	3.075	50	0		KGAARM
CC(C)[C@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]12	ZINC000101496618	554787067	/nfs/dbraw/zinc/78/70/67/554787067.db2.gz	HANAGORMTIXFTG-NULUGNBJSA-N	-1	0	520.545	3.075	50	0		KGAARM
CC(C)[C@@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]12	ZINC000101496621	554786987	/nfs/dbraw/zinc/78/69/87/554786987.db2.gz	HANAGORMTIXFTG-HTWFIQDWSA-N	-1	0	520.545	3.075	50	0		KGAARM
CCOc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[n-]1	ZINC000101511679	554792963	/nfs/dbraw/zinc/79/29/63/554792963.db2.gz	YZROKVZJMHNMBO-UHFFFAOYSA-N	-1	0	524.418	3.495	50	0		KGAARM
CCOc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c(=O)[n-]2)cc1	ZINC000101511683	554792913	/nfs/dbraw/zinc/79/29/13/554792913.db2.gz	ZXXWGJYRWINZRN-UHFFFAOYSA-N	-1	0	524.418	3.495	50	0		KGAARM
COc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c(=O)[n-]2)cc1OC	ZINC000101511694	554792957	/nfs/dbraw/zinc/79/29/57/554792957.db2.gz	RISRQLZJTPJWQE-UHFFFAOYSA-N	-1	0	540.417	3.113	50	0		KGAARM
COc1cc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c(=O)[n-]2)cc(OC)c1OC	ZINC000101511718	554792899	/nfs/dbraw/zinc/79/28/99/554792899.db2.gz	BAAKETCINOGYNY-UHFFFAOYSA-N	-1	0	570.443	3.122	50	0		KGAARM
O=C(CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[n-]1)Nc1cc(F)ccc1F	ZINC000101511722	554792830	/nfs/dbraw/zinc/79/28/30/554792830.db2.gz	XZMLZPAXSGGVQY-UHFFFAOYSA-N	-1	0	516.345	3.374	50	0		KGAARM
CCOC(=O)c1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)cc3)c(=O)[n-]2)c1	ZINC000101511744	554792846	/nfs/dbraw/zinc/79/28/46/554792846.db2.gz	GWMGTYDEWBDNRK-UHFFFAOYSA-N	-1	0	552.428	3.273	50	0		KGAARM
CCOC(=O)c1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(OC)c(Cl)c2)c(=O)[n-]1	ZINC000101511792	554792888	/nfs/dbraw/zinc/79/28/88/554792888.db2.gz	BZVATFYENCKLOM-UHFFFAOYSA-N	-1	0	538.003	3.172	50	0		KGAARM
COc1cc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(OC)c(Cl)c3)c(=O)[n-]2)cc(OC)c1	ZINC000101511801	554792863	/nfs/dbraw/zinc/79/28/63/554792863.db2.gz	JIZFBIOPASZRER-UHFFFAOYSA-N	-1	0	525.992	3.013	50	0		KGAARM
CCOC(=O)c1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(OC)c(Cl)c3)c(=O)[n-]2)c1	ZINC000101511807	554792980	/nfs/dbraw/zinc/79/29/80/554792980.db2.gz	XEYMTSDWXXTLFO-UHFFFAOYSA-N	-1	0	538.003	3.172	50	0		KGAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(Br)cc4Cl)o3)[C@H]2SC1	ZINC000101571555	554797764	/nfs/dbraw/zinc/79/77/64/554797764.db2.gz	YYPNBPDEMMBTQZ-DYESRHJHSA-N	-1	0	585.816	3.190	50	0		KGAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3ccc(COc4ccc(Br)cc4Cl)o3)[C@@H]2SC1	ZINC000101571562	554797837	/nfs/dbraw/zinc/79/78/37/554797837.db2.gz	YYPNBPDEMMBTQZ-UTKZUKDTSA-N	-1	0	585.816	3.190	50	0		KGAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3ccc(COc4ccc(Br)cc4Cl)o3)[C@H]2SC1	ZINC000101571568	554797778	/nfs/dbraw/zinc/79/77/78/554797778.db2.gz	YYPNBPDEMMBTQZ-LAUBAEHRSA-N	-1	0	585.816	3.190	50	0		KGAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3ccc(COc4ccc(Br)cc4Cl)o3)[C@@H]2SC1	ZINC000101571572	554797800	/nfs/dbraw/zinc/79/78/00/554797800.db2.gz	YYPNBPDEMMBTQZ-UWJYYQICSA-N	-1	0	585.816	3.190	50	0		KGAARM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCC(=O)NCCN1CCN(c3cccc(Cl)c3)CC1)c2=O	ZINC000101623297	554810656	/nfs/dbraw/zinc/81/06/56/554810656.db2.gz	HQNFUGBYOCAYEQ-UHFFFAOYSA-N	-1	0	544.077	3.218	50	0		KGAARM
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)NCC1CCC(C(=O)[O-])CC1	ZINC000101814951	554839928	/nfs/dbraw/zinc/83/99/28/554839928.db2.gz	QBXTWRTXUYHOGT-FHCAOFFTSA-N	-1	0	562.667	3.012	50	0		KGAARM
CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)NCC1CCC(C(=O)[O-])CC1	ZINC000101814954	554840014	/nfs/dbraw/zinc/84/00/14/554840014.db2.gz	QBXTWRTXUYHOGT-FJJJVWAOSA-N	-1	0	562.667	3.012	50	0		KGAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Br)c3)c(=O)c1=2)Nc1ccc(Br)cc1	ZINC000102001553	554865930	/nfs/dbraw/zinc/86/59/30/554865930.db2.gz	GSNKBBNTKMHZDV-CVEARBPZSA-N	-1	0	507.142	3.144	50	0		KGAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Br)c3)c(=O)c1=2)Nc1ccc(Br)cc1	ZINC000102001557	554866005	/nfs/dbraw/zinc/86/60/05/554866005.db2.gz	GSNKBBNTKMHZDV-JKSUJKDBSA-N	-1	0	507.142	3.144	50	0		KGAARM
CC[C@H](C)[C@@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)NCC1CCC(C(=O)[O-])CC1	ZINC000102027893	554867689	/nfs/dbraw/zinc/86/76/89/554867689.db2.gz	DARWWBXHWMVULB-UWVXCWSBSA-N	-1	0	562.667	3.012	50	0		KGAARM
CCOc1cc(C2=Nc3ccc(S(=O)(=O)N4CCCCC4)cc3S(=O)(=O)[N-]2)cc(OCC)c1OCC	ZINC000102081348	554875791	/nfs/dbraw/zinc/87/57/91/554875791.db2.gz	HASKLPNEHGDCBH-UHFFFAOYSA-N	-1	0	537.660	3.428	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)[C@H](C)n4nc(C(F)(F)F)c(Cl)c4C)[C@@H]3SC2)s1	ZINC000102102699	554882070	/nfs/dbraw/zinc/88/20/70/554882070.db2.gz	ZTQOKUYLKZQROV-FGJULOEWSA-N	-1	0	583.039	3.116	50	0		KGAARM
CCCCNC(=O)CN1CCN(c2cc(C(=O)[O-])c3cc(NS(=O)(=O)c4ccc(C)cc4)ccc3n2)CC1	ZINC000102314203	554910528	/nfs/dbraw/zinc/91/05/28/554910528.db2.gz	ZLDMFLYAOYJUJQ-UHFFFAOYSA-N	-1	0	539.658	3.081	50	0		KGAARM
Cc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCN(CC(=O)NC(C)(C)C)CC4)cc(C(=O)[O-])c3c2)cc1	ZINC000102314216	554910589	/nfs/dbraw/zinc/91/05/89/554910589.db2.gz	OIJMCBVEISRIBR-UHFFFAOYSA-N	-1	0	539.658	3.079	50	0		KGAARM
CCCCNC(=O)CN1CCN(c2cc(C(=O)[O-])c3cc(NS(=O)(=O)c4ccccc4C)ccc3n2)CC1	ZINC000102314617	554911145	/nfs/dbraw/zinc/91/11/45/554911145.db2.gz	PARJVVUNXSTOHT-UHFFFAOYSA-N	-1	0	539.658	3.081	50	0		KGAARM
Cc1ccccc1S(=O)(=O)Nc1ccc2nc(N3CCN(CC(=O)NC(C)(C)C)CC3)cc(C(=O)[O-])c2c1	ZINC000102314624	554911033	/nfs/dbraw/zinc/91/10/33/554911033.db2.gz	LQDRBDXBNIRWJY-UHFFFAOYSA-N	-1	0	539.658	3.079	50	0		KGAARM
O=C([O-])c1cc(N2CCN(c3ncccn3)CC2)nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc21	ZINC000102314738	554911063	/nfs/dbraw/zinc/91/10/63/554911063.db2.gz	BBTRRBJJYADNSF-UHFFFAOYSA-N	-1	0	526.525	3.129	50	0		KGAARM
CCCCNC(=O)CN1CCN(c2cc(C(=O)[O-])c3cc(NS(=O)(=O)c4cccc(C)c4)ccc3n2)CC1	ZINC000102314814	554911423	/nfs/dbraw/zinc/91/14/23/554911423.db2.gz	DIFFQADLVUFPPD-UHFFFAOYSA-N	-1	0	539.658	3.081	50	0		KGAARM
Cc1cccc(S(=O)(=O)Nc2ccc3nc(N4CCN(CC(=O)NC(C)(C)C)CC4)cc(C(=O)[O-])c3c2)c1	ZINC000102314816	554911404	/nfs/dbraw/zinc/91/14/04/554911404.db2.gz	IMWUKNRYBVRVPZ-UHFFFAOYSA-N	-1	0	539.658	3.079	50	0		KGAARM
COc1ccccc1-n1c(=O)c2[n-][nH]n(CC(=O)N3N=C(c4ccccc4)C[C@H]3c3ccccc3)c=2c1=O	ZINC000102442607	554930021	/nfs/dbraw/zinc/93/00/21/554930021.db2.gz	DLNGBFWGFYBRBJ-DFCKQENNSA-N	-1	0	508.538	3.366	50	0		KGAARM
COc1ccccc1-n1c(=O)c2[n-][nH]n(CC(=O)N3N=C(c4ccccc4)C[C@H]3c3ccccc3)c=2c1=O	ZINC000102442615	554930316	/nfs/dbraw/zinc/93/03/16/554930316.db2.gz	DLNGBFWGFYBRBJ-HDYLNDSGSA-N	-1	0	508.538	3.366	50	0		KGAARM
COc1ccc2c(C)c(CCC(=O)N3CCC(C(=O)N[C@H](Cc4ccccc4)C(=O)[O-])CC3)c(=O)oc2c1C	ZINC000102496913	554940978	/nfs/dbraw/zinc/94/09/78/554940978.db2.gz	UDDLQPQKIJUXHP-XMMPIXPASA-N	-1	0	534.609	3.402	50	0		KGAARM
Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1)occ3-c1ccc(F)cc1	ZINC000102496942	554941039	/nfs/dbraw/zinc/94/10/39/554941039.db2.gz	BEKUYSXAYPATQD-PMERELPUSA-N	-1	0	599.571	3.371	50	0		KGAARM
Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCC(=O)NCC(=O)N[C@H](CSCc1ccccc1)C(=O)[O-])oc1c3CCCC1	ZINC000102496968	554941012	/nfs/dbraw/zinc/94/10/12/554941012.db2.gz	AFWFJKJOCHUZDR-XMMPIXPASA-N	-1	0	619.696	3.004	50	0		KGAARM
COc1cc([C@@H](c2c([O-])nc3n(c2=O)CCS3)c2c(O)nc3n(c2=O)CCS3)ccc1OCc1ccccc1	ZINC000102511519	554946524	/nfs/dbraw/zinc/94/65/24/554946524.db2.gz	RADLWYNRKMDDAD-IBGZPJMESA-N	-1	0	564.645	3.190	50	0		KGAARM
COc1cc([C@H](c2c([O-])nc3n(c2=O)CCS3)c2c(O)nc3n(c2=O)CCS3)ccc1OCc1ccccc1	ZINC000102511522	554946544	/nfs/dbraw/zinc/94/65/44/554946544.db2.gz	RADLWYNRKMDDAD-LJQANCHMSA-N	-1	0	564.645	3.190	50	0		KGAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2nc3ccccc3n2S(=O)(=O)c2cc(OC)ccc2OC)c1	ZINC000102583359	554972806	/nfs/dbraw/zinc/97/28/06/554972806.db2.gz	ABWCPLLLCPJDIA-UHFFFAOYSA-N	-1	0	533.584	3.109	50	0		KGAARM
COc1ccc(OC)c(NC(=O)CSc2ncc(S(=O)(=O)c3cccc(C(F)(F)F)c3)c(=O)[n-]2)c1	ZINC000102606085	554978835	/nfs/dbraw/zinc/97/88/35/554978835.db2.gz	PDLAZSAUGBKWEJ-UHFFFAOYSA-N	-1	0	529.518	3.370	50	0		KGAARM
COC(=O)c1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccc(C(F)(F)F)c3)c(=O)[n-]2)cc1	ZINC000102606145	554978956	/nfs/dbraw/zinc/97/89/56/554978956.db2.gz	FOIZSMOJWSIICI-UHFFFAOYSA-N	-1	0	527.502	3.139	50	0		KGAARM
O=C(CSc1ncc(S(=O)(=O)c2cccc(C(F)(F)F)c2)c(=O)[n-]1)Nc1ccc2c(c1)OCCO2	ZINC000102606149	554979001	/nfs/dbraw/zinc/97/90/01/554979001.db2.gz	WUNBQGKBKSDNPZ-UHFFFAOYSA-N	-1	0	527.502	3.124	50	0		KGAARM
COc1cc(NC(=O)CSc2ncc(S(=O)(=O)c3cccc(C(F)(F)F)c3)c(=O)[n-]2)cc(OC)c1	ZINC000102606163	554978970	/nfs/dbraw/zinc/97/89/70/554978970.db2.gz	HWCMEVQQCPCHCY-UHFFFAOYSA-N	-1	0	529.518	3.370	50	0		KGAARM
COC(=O)c1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Br)c(C)c3)c(=O)[n-]2)cc1	ZINC000102606230	554978959	/nfs/dbraw/zinc/97/89/59/554978959.db2.gz	YQESZFABOHZCDM-UHFFFAOYSA-N	-1	0	552.428	3.191	50	0		KGAARM
CCOC(=O)c1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)c(Cl)c3)c(=O)[n-]2)c1	ZINC000102606307	554979389	/nfs/dbraw/zinc/97/93/89/554979389.db2.gz	LCIPUMZIOJQWPC-UHFFFAOYSA-N	-1	0	522.004	3.472	50	0		KGAARM
CCOC(=O)c1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(C)c(Cl)c2)c(=O)[n-]1	ZINC000102606316	554979311	/nfs/dbraw/zinc/97/93/11/554979311.db2.gz	NGLZRJMYTAAJHF-UHFFFAOYSA-N	-1	0	522.004	3.472	50	0		KGAARM
COc1ccccc1N1CCN(C(=O)CSc2ncc(S(=O)(=O)c3ccc(C)c(Cl)c3)c(=O)[n-]2)CC1	ZINC000102606350	554979289	/nfs/dbraw/zinc/97/92/89/554979289.db2.gz	WQCYSZLLOPHXMD-UHFFFAOYSA-N	-1	0	549.074	3.014	50	0		KGAARM
Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)N3CCN(c4ccc(F)cc4)CC3)[n-]c2=O)cc1Cl	ZINC000102606356	554979381	/nfs/dbraw/zinc/97/93/81/554979381.db2.gz	GVGFZJPDCHAHKL-UHFFFAOYSA-N	-1	0	537.038	3.145	50	0		KGAARM
Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)N3CCN(c4ccccc4F)CC3)[n-]c2=O)cc1Cl	ZINC000102606362	554979326	/nfs/dbraw/zinc/97/93/26/554979326.db2.gz	SPDGHFLKTKRKRX-UHFFFAOYSA-N	-1	0	537.038	3.145	50	0		KGAARM
CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)NCc3ccc(OC)c(OC)c3)[n-]c2=O)cc1	ZINC000102606562	554979572	/nfs/dbraw/zinc/97/95/72/554979572.db2.gz	YGLKRRQWBVBLFZ-UHFFFAOYSA-N	-1	0	531.656	3.371	50	0		KGAARM
COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(Cl)c(OC)cc3OC)[n-]c2=O)cc1	ZINC000102606636	554979591	/nfs/dbraw/zinc/97/95/91/554979591.db2.gz	RGBQSXQMOKGRGF-UHFFFAOYSA-N	-1	0	525.992	3.013	50	0		KGAARM
COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3Br)[n-]c2=O)cc1OC	ZINC000102606662	554979565	/nfs/dbraw/zinc/97/95/65/554979565.db2.gz	HYWLCSKZIFGWAT-UHFFFAOYSA-N	-1	0	540.417	3.113	50	0		KGAARM
COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(Br)c3)[n-]c2=O)cc1OC	ZINC000102606665	554979504	/nfs/dbraw/zinc/97/95/04/554979504.db2.gz	UGPDAKSRMITHRX-UHFFFAOYSA-N	-1	0	540.417	3.113	50	0		KGAARM
COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(Br)cc3)[n-]c2=O)cc1OC	ZINC000102606669	554979559	/nfs/dbraw/zinc/97/95/59/554979559.db2.gz	MKPDOMWFJWFTPH-UHFFFAOYSA-N	-1	0	540.417	3.113	50	0		KGAARM
COc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(OC)c(OC)c3)c(=O)[n-]2)cc1Cl	ZINC000102606677	554979536	/nfs/dbraw/zinc/97/95/36/554979536.db2.gz	VMPGLWMYHSAZJL-UHFFFAOYSA-N	-1	0	525.992	3.013	50	0		KGAARM
CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3Br)[n-]c2=O)cc1	ZINC000102606744	554979468	/nfs/dbraw/zinc/97/94/68/554979468.db2.gz	OSIZYYDZTPTCPW-UHFFFAOYSA-N	-1	0	524.418	3.495	50	0		KGAARM
CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(Br)c3)[n-]c2=O)cc1	ZINC000102606746	554979613	/nfs/dbraw/zinc/97/96/13/554979613.db2.gz	NILBPCNXBNQPLT-UHFFFAOYSA-N	-1	0	524.418	3.495	50	0		KGAARM
CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(Br)cc3)[n-]c2=O)cc1	ZINC000102606748	554979512	/nfs/dbraw/zinc/97/95/12/554979512.db2.gz	KTMPNYPFCMVXBZ-UHFFFAOYSA-N	-1	0	524.418	3.495	50	0		KGAARM
O=C(CCCCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000102755182	555047007	/nfs/dbraw/zinc/04/70/07/555047007.db2.gz	UJMYMSXHRUKLFF-UHFFFAOYSA-N	-1	0	538.626	3.421	50	0		KGAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(=O)NC[C@@H]3CCCO3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1	ZINC000102770091	555057437	/nfs/dbraw/zinc/05/74/37/555057437.db2.gz	AKGMJPSHUFSEAG-SFLYRZDNSA-N	-1	0	608.717	3.199	50	0		KGAARM
O=C1[N-]C(=O)[C@]2(Cc3c(=O)n4ccccc4nc3N3CCc4ccccc4[C@@H]32)C(=O)N1Cc1ccccc1Cl	ZINC000102775123	555062753	/nfs/dbraw/zinc/06/27/53/555062753.db2.gz	XVPAMUMQXVETCO-RNWIMVQKSA-N	-1	0	539.979	3.273	50	0		KGAARM
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3cc(C(=O)OC)cc(C(=O)OC)c3)cc21	ZINC000102793332	555070970	/nfs/dbraw/zinc/07/09/70/555070970.db2.gz	SKJQCHOPQJANCQ-UHFFFAOYSA-N	-1	0	525.377	3.122	50	0		KGAARM
COC(=O)c1cc([N-]S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)cc(C(=O)OC)c1	ZINC000102840114	555081270	/nfs/dbraw/zinc/08/12/70/555081270.db2.gz	SXNPHPYYQDIJNS-UHFFFAOYSA-N	-1	0	537.388	3.122	50	0		KGAARM
COC(=O)c1cc([N-]S(=O)(=O)c2cc3c(cc2Br)C[C@@H](C)N3C(C)=O)cc(C(=O)OC)c1	ZINC000102840429	555081222	/nfs/dbraw/zinc/08/12/22/555081222.db2.gz	NGPBZGIFZRIYER-LLVKDONJSA-N	-1	0	525.377	3.121	50	0		KGAARM
COC(=O)c1cc([N-]S(=O)(=O)c2cc3c(cc2Br)C[C@H](C)N3C(C)=O)cc(C(=O)OC)c1	ZINC000102840431	555081306	/nfs/dbraw/zinc/08/13/06/555081306.db2.gz	NGPBZGIFZRIYER-NSHDSACASA-N	-1	0	525.377	3.121	50	0		KGAARM
COc1ccc(C2=NN(C(=O)Cn3[nH][n-]c4c(=O)n(-c5cccc(F)c5)c(=O)c3=4)[C@H](c3ccco3)C2)cc1OC	ZINC000102848778	555084570	/nfs/dbraw/zinc/08/45/70/555084570.db2.gz	JAKGSZFHAWFAGP-PNTFMKQHSA-N	-1	0	546.515	3.107	50	0		KGAARM
COc1ccc(C2=NN(C(=O)Cn3[nH][n-]c4c(=O)n(-c5cccc(F)c5)c(=O)c3=4)[C@@H](c3ccco3)C2)cc1OC	ZINC000102848780	555084551	/nfs/dbraw/zinc/08/45/51/555084551.db2.gz	JAKGSZFHAWFAGP-BTZRARBUSA-N	-1	0	546.515	3.107	50	0		KGAARM
COc1ccc(C2=NN(C(=O)Cn3[nH][n-]c4c(=O)n(-c5cccc(F)c5)c(=O)c3=4)[C@H](c3ccco3)C2)cc1OC	ZINC000102848783	555084573	/nfs/dbraw/zinc/08/45/73/555084573.db2.gz	JAKGSZFHAWFAGP-LQGLAIQGSA-N	-1	0	546.515	3.107	50	0		KGAARM
COc1ccc(C2=NN(C(=O)Cn3[nH][n-]c4c(=O)n(-c5cccc(F)c5)c(=O)c3=4)[C@@H](c3ccco3)C2)cc1OC	ZINC000102848785	555084557	/nfs/dbraw/zinc/08/45/57/555084557.db2.gz	JAKGSZFHAWFAGP-NGXZDTIWSA-N	-1	0	546.515	3.107	50	0		KGAARM
COc1cc2c(cc1OC)CN(C(=O)c1cc(S(=O)(=O)N3CCc4cc(OC)c(OC)cc4C3)ccc1[O-])CC2	ZINC000102864598	555094158	/nfs/dbraw/zinc/09/41/58/555094158.db2.gz	ARRXMMXPSGDYQJ-UHFFFAOYSA-N	-1	0	568.648	3.372	50	0		KGAARM
COc1ccc(C(c2c([O-])[nH]c(=O)n(-c3ccccc3)c2=O)c2c([O-])[nH]c(=O)n(-c3ccccc3)c2=O)cc1C[NH+]1CCCC1	ZINC000102879205	555108352	/nfs/dbraw/zinc/10/83/52/555108352.db2.gz	XHKMLLFLQGHKHX-UHFFFAOYSA-N	-1	0	609.639	3.385	50	0		KGAARM
C[C@H](Sc1nnc(Cc2ccc(C(C)(C)C)cc2)c(=O)[n-]1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000102883948	555112645	/nfs/dbraw/zinc/11/26/45/555112645.db2.gz	TYFBQAJTSZGBOF-IBGZPJMESA-N	-1	0	555.726	3.067	50	0		KGAARM
C[C@@H](Sc1nnc(Cc2ccc(C(C)(C)C)cc2)c(=O)[n-]1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000102883951	555112626	/nfs/dbraw/zinc/11/26/26/555112626.db2.gz	TYFBQAJTSZGBOF-LJQANCHMSA-N	-1	0	555.726	3.067	50	0		KGAARM
O=C([O-])C1CCC(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)n2c(=O)[nH]c3ccccc3c2=O)CC1	ZINC000102899503	555139428	/nfs/dbraw/zinc/13/94/28/555139428.db2.gz	WNFIRIBROSHPPQ-FYGRLATNSA-N	-1	0	596.684	3.208	50	0		KGAARM
O=C([O-])C1CCC(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)n2c(=O)[nH]c3ccccc3c2=O)CC1	ZINC000102899505	555139407	/nfs/dbraw/zinc/13/94/07/555139407.db2.gz	WNFIRIBROSHPPQ-GEUDFQQCSA-N	-1	0	596.684	3.208	50	0		KGAARM
O=C([O-])C1CCC(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)n2c(=O)[nH]c3ccccc3c2=O)CC1	ZINC000102899506	555139430	/nfs/dbraw/zinc/13/94/30/555139430.db2.gz	WNFIRIBROSHPPQ-DTFDPYIOSA-N	-1	0	596.684	3.208	50	0		KGAARM
CC(C)(C)c1ccc(Cc2nnc(SCC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)[n-]c2=O)cc1	ZINC000102912478	555143299	/nfs/dbraw/zinc/14/32/99/555143299.db2.gz	IKQWGJZSBBEBGF-UHFFFAOYSA-N	-1	0	576.144	3.332	50	0		KGAARM
Cc1ccc(NC(=O)COC(=O)c2ccccc2[N-]S(=O)(=O)c2cccc(N)c2)cc1S(=O)(=O)N1CCCCC1	ZINC000102927157	555151918	/nfs/dbraw/zinc/15/19/18/555151918.db2.gz	DCTZNGIEAMTWCT-UHFFFAOYSA-N	-1	0	586.692	3.348	50	0		KGAARM
O=C(/C=C\c1ccc(S(=O)(=O)N2CCOCC2)cc1)NC(=S)Nc1ccccc1[N-]S(=O)(=O)c1cccs1	ZINC000102927918	1059657416	/nfs/dbraw/zinc/65/74/16/1059657416.db2.gz	MZUPSUQHVRTBDR-XFXZXTDPSA-N	-1	0	592.746	3.096	50	0		KGAARM
O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)NC(=S)Nc1ccccc1[N-]S(=O)(=O)c1cccs1	ZINC000102927922	555152889	/nfs/dbraw/zinc/15/28/89/555152889.db2.gz	MZUPSUQHVRTBDR-FMIVXFBMSA-N	-1	0	592.746	3.096	50	0		KGAARM
O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000102931332	555158799	/nfs/dbraw/zinc/15/87/99/555158799.db2.gz	JGSYKWJVKZUTIP-UHFFFAOYSA-N	-1	0	579.678	3.225	50	0		KGAARM
CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)OCC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000102933600	555160768	/nfs/dbraw/zinc/16/07/68/555160768.db2.gz	GCDSLUOFOAGOMJ-IYBDPMFKSA-N	-1	0	555.447	3.441	50	0		KGAARM
CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000102933601	555160760	/nfs/dbraw/zinc/16/07/60/555160760.db2.gz	GCDSLUOFOAGOMJ-HZPDHXFCSA-N	-1	0	555.447	3.441	50	0		KGAARM
CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)OCC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000102933603	555160858	/nfs/dbraw/zinc/16/08/58/555160858.db2.gz	GCDSLUOFOAGOMJ-HOTGVXAUSA-N	-1	0	555.447	3.441	50	0		KGAARM
CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)c1	ZINC000102933710	555160837	/nfs/dbraw/zinc/16/08/37/555160837.db2.gz	JCVIQNDNHRXIDD-UHFFFAOYSA-N	-1	0	558.059	3.248	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1Cl	ZINC000102938241	555166575	/nfs/dbraw/zinc/16/65/75/555166575.db2.gz	XKXRWXWEBFNTFB-UHFFFAOYSA-N	-1	0	596.083	3.188	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1N1CCCC1	ZINC000102938865	555167473	/nfs/dbraw/zinc/16/74/73/555167473.db2.gz	UPEWUOJHWHXYNA-UHFFFAOYSA-N	-1	0	630.745	3.135	50	0		KGAARM
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3OC)c2)cc1	ZINC000102939638	555168309	/nfs/dbraw/zinc/16/83/09/555168309.db2.gz	HVNTWINCALWPAA-UHFFFAOYSA-N	-1	0	591.708	3.340	50	0		KGAARM
CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	ZINC000102972871	555182780	/nfs/dbraw/zinc/18/27/80/555182780.db2.gz	LLIOBGKMZONQLU-UHFFFAOYSA-N	-1	0	539.857	3.323	50	0		KGAARM
COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1OC	ZINC000102972877	1059129147	/nfs/dbraw/zinc/12/91/47/1059129147.db2.gz	XAUPKYZUMNRSLI-TWGQIWQCSA-N	-1	0	545.035	3.430	50	0		KGAARM
O=C(Nc1ccc2c(c1)OCO2)c1ccccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000102973377	555183208	/nfs/dbraw/zinc/18/32/08/555183208.db2.gz	SQXQYHJYOOCNFW-UHFFFAOYSA-N	-1	0	529.596	3.253	50	0		KGAARM
CCN(CC)S(=O)(=O)c1cc([N-]S(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)ccc1Cl	ZINC000102973394	555183297	/nfs/dbraw/zinc/18/32/97/555183297.db2.gz	MNYFIALATFTSLW-UHFFFAOYSA-N	-1	0	539.053	3.114	50	0		KGAARM
Cc1sc2nc([C@@H](C)OC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)[nH]c(=O)c2c1C	ZINC000102975180	555185121	/nfs/dbraw/zinc/18/51/21/555185121.db2.gz	OWDDRWOVNLHKDZ-GFCCVEGCSA-N	-1	0	539.595	3.490	50	0		KGAARM
Cc1sc2nc([C@H](C)OC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)[nH]c(=O)c2c1C	ZINC000102975183	555185072	/nfs/dbraw/zinc/18/50/72/555185072.db2.gz	OWDDRWOVNLHKDZ-LBPRGKRZSA-N	-1	0	539.595	3.490	50	0		KGAARM
C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000102975465	555185656	/nfs/dbraw/zinc/18/56/56/555185656.db2.gz	DCGYVSUVOPZBLD-LBPRGKRZSA-N	-1	0	544.032	3.034	50	0		KGAARM
C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000102975469	555185661	/nfs/dbraw/zinc/18/56/61/555185661.db2.gz	DCGYVSUVOPZBLD-GFCCVEGCSA-N	-1	0	544.032	3.034	50	0		KGAARM
C[C@H](OC(=O)CCCNC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000102987363	555191099	/nfs/dbraw/zinc/19/10/99/555191099.db2.gz	ASCGQJUALWRFEX-INIZCTEOSA-N	-1	0	546.005	3.011	50	0		KGAARM
C[C@@H](OC(=O)CCCNC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000102987367	555191162	/nfs/dbraw/zinc/19/11/62/555191162.db2.gz	ASCGQJUALWRFEX-MRXNPFEDSA-N	-1	0	546.005	3.011	50	0		KGAARM
COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)CCc2nc(-c3ccccc3OC)no2)CC4)cc1	ZINC000102991032	555192440	/nfs/dbraw/zinc/19/24/40/555192440.db2.gz	JOPNXMDQDQGHLH-UHFFFAOYSA-N	-1	0	526.553	3.274	50	0		KGAARM
COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)CC4)cc1	ZINC000102991065	555192458	/nfs/dbraw/zinc/19/24/58/555192458.db2.gz	FHFRQTJUFDVYFL-MRXNPFEDSA-N	-1	0	535.963	3.429	50	0		KGAARM
COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)CC4)cc1	ZINC000102991070	555192493	/nfs/dbraw/zinc/19/24/93/555192493.db2.gz	FHFRQTJUFDVYFL-INIZCTEOSA-N	-1	0	535.963	3.429	50	0		KGAARM
Cc1ccc(Br)c(NS(=O)(=O)c2cccc(C(=O)Nc3cc(C(N)=O)cc(C(N)=O)c3)c2)c1	ZINC000102993221	555193370	/nfs/dbraw/zinc/19/33/70/555193370.db2.gz	ZDJJXOFXTABELV-UHFFFAOYSA-N	-1	0	531.388	3.008	50	0		KGAARM
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1	ZINC000102993259	555193441	/nfs/dbraw/zinc/19/34/41/555193441.db2.gz	UJHXKMXNZCWTBN-HSZRJFAPSA-N	-1	0	535.578	3.254	50	0		KGAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C\c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2OC)cc1	ZINC000102994157	1059137395	/nfs/dbraw/zinc/13/73/95/1059137395.db2.gz	GRGASKBDKGNEMI-RZNTYIFUSA-N	-1	0	587.676	3.177	50	0		KGAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2OC)cc1	ZINC000102994176	555194142	/nfs/dbraw/zinc/19/41/42/555194142.db2.gz	XHPRFWCFEVPSER-BGYRXZFFSA-N	-1	0	515.588	3.008	50	0		KGAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2OC)cc1	ZINC000102994179	555194268	/nfs/dbraw/zinc/19/42/68/555194268.db2.gz	XHPRFWCFEVPSER-WOJBJXKFSA-N	-1	0	515.588	3.008	50	0		KGAARM
CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCC3)c(S(=O)(=O)[N-]c3ccccc3OC)c2)c1	ZINC000102996495	555196280	/nfs/dbraw/zinc/19/62/80/555196280.db2.gz	RTAHZUQCDHJBCU-UHFFFAOYSA-N	-1	0	544.655	3.257	50	0		KGAARM
COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCN(c4ncccn4)CC3)c2)cc1Cl	ZINC000102996727	555196479	/nfs/dbraw/zinc/19/64/79/555196479.db2.gz	SSERWNZLVXHXPE-UHFFFAOYSA-N	-1	0	532.022	3.219	50	0		KGAARM
COc1ccc(Br)cc1[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)ccc1Cl	ZINC000102997420	555196691	/nfs/dbraw/zinc/19/66/91/555196691.db2.gz	SFVKHOAPHKYDSS-UHFFFAOYSA-N	-1	0	588.889	3.489	50	0		KGAARM
COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc2Cl)cc1Cl	ZINC000102997768	555197161	/nfs/dbraw/zinc/19/71/61/555197161.db2.gz	SNORKTPQHWZNMS-UHFFFAOYSA-N	-1	0	588.491	3.431	50	0		KGAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2Cl)cc1	ZINC000102999653	555199489	/nfs/dbraw/zinc/19/94/89/555199489.db2.gz	UZTJWEYMZLLVIN-UHFFFAOYSA-N	-1	0	566.057	3.423	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)ccc1Cl	ZINC000102999670	555199509	/nfs/dbraw/zinc/19/95/09/555199509.db2.gz	DCOWXBLYVXOWMQ-IYBDPMFKSA-N	-1	0	503.964	3.039	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)ccc1Cl	ZINC000102999676	555199519	/nfs/dbraw/zinc/19/95/19/555199519.db2.gz	DCOWXBLYVXOWMQ-HZPDHXFCSA-N	-1	0	503.964	3.039	50	0		KGAARM
O=C(CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000103002278	555201889	/nfs/dbraw/zinc/20/18/89/555201889.db2.gz	ZHZHRJYCMRFFEU-UHFFFAOYSA-N	-1	0	595.284	3.264	50	0		KGAARM
COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc2OC)cc1Cl	ZINC000103002499	555201918	/nfs/dbraw/zinc/20/19/18/555201918.db2.gz	IEAJBESFFNYBDU-UHFFFAOYSA-N	-1	0	556.018	3.066	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3nc[nH]n3)C2=O)c1	ZINC000103005345	555203426	/nfs/dbraw/zinc/20/34/26/555203426.db2.gz	SJOXPRXJPIQFEP-ZHZULCJRSA-N	-1	0	516.539	3.254	50	0		KGAARM
CCOc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1	ZINC000103006601	555204093	/nfs/dbraw/zinc/20/40/93/555204093.db2.gz	XKOOTQAJZYUBQP-UHFFFAOYSA-N	-1	0	583.692	3.349	50	0		KGAARM
COc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4nc3[N-]S(=O)(=O)c3ccc(F)cc3)CC2)cc1	ZINC000103006604	555204116	/nfs/dbraw/zinc/20/41/16/555204116.db2.gz	GPDKHVFUSNZLJI-UHFFFAOYSA-N	-1	0	557.629	3.089	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)ccc1N1CCOCC1	ZINC000103011860	555206350	/nfs/dbraw/zinc/20/63/50/555206350.db2.gz	ONVQSIQKXTYFEQ-JOCHJYFZSA-N	-1	0	564.664	3.320	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)ccc1N1CCOCC1	ZINC000103011863	555206474	/nfs/dbraw/zinc/20/64/74/555206474.db2.gz	ONVQSIQKXTYFEQ-QFIPXVFZSA-N	-1	0	564.664	3.320	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)ccc1N1CCOCC1	ZINC000103011891	555206689	/nfs/dbraw/zinc/20/66/89/555206689.db2.gz	KFZSUGFGQYAZHU-UHFFFAOYSA-N	-1	0	575.647	3.190	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)ccc1C	ZINC000103012650	555207463	/nfs/dbraw/zinc/20/74/63/555207463.db2.gz	AMCIFGVITZPVLA-UHFFFAOYSA-N	-1	0	563.629	3.217	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1C	ZINC000103012658	555207418	/nfs/dbraw/zinc/20/74/18/555207418.db2.gz	OYEPBPQCABIBPX-UHFFFAOYSA-N	-1	0	573.693	3.397	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1C	ZINC000103012661	555207443	/nfs/dbraw/zinc/20/74/43/555207443.db2.gz	QLLPMJPUWLENQH-UHFFFAOYSA-N	-1	0	545.639	3.078	50	0		KGAARM
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1	ZINC000103013034	555207409	/nfs/dbraw/zinc/20/74/09/555207409.db2.gz	LURRZGLAERCYIX-UHFFFAOYSA-N	-1	0	535.673	3.047	50	0		KGAARM
CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(I)cc(I)c1[O-]	ZINC000103016609	555209588	/nfs/dbraw/zinc/20/95/88/555209588.db2.gz	ACYMWUXRXZIDBZ-UHFFFAOYSA-N	-1	0	561.117	3.110	50	0		KGAARM
CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3OC)c2)cc1	ZINC000103017061	555210025	/nfs/dbraw/zinc/21/00/25/555210025.db2.gz	LDZOHSVCZXKLCJ-UHFFFAOYSA-N	-1	0	533.628	3.202	50	0		KGAARM
O=C(c1cc(Br)cc(Br)c1[O-])N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000103020784	555212093	/nfs/dbraw/zinc/21/20/93/555212093.db2.gz	AANCJNHPYCOALZ-UHFFFAOYSA-N	-1	0	522.190	3.203	50	0		KGAARM
O=C(c1cc(Br)cc(Br)c1[O-])N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	ZINC000103028128	555217649	/nfs/dbraw/zinc/21/76/49/555217649.db2.gz	BQPGRCYTLYFJRH-UHFFFAOYSA-N	-1	0	576.263	3.225	50	0		KGAARM
Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1	ZINC000103035842	555222936	/nfs/dbraw/zinc/22/29/36/555222936.db2.gz	NSPZPPYCIWIANY-RUZDIDTESA-N	-1	0	563.661	3.340	50	0		KGAARM
Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1	ZINC000103035847	555222903	/nfs/dbraw/zinc/22/29/03/555222903.db2.gz	NSPZPPYCIWIANY-VWLOTQADSA-N	-1	0	563.661	3.340	50	0		KGAARM
CCN1CCN(S(=O)(=O)c2cc(NC(=O)C3CC3)ccc2Oc2c(C)c(C(=O)[O-])nn2-c2ccccc2)CC1	ZINC000103047474	555229274	/nfs/dbraw/zinc/22/92/74/555229274.db2.gz	BTNYTMKCIBSQRL-UHFFFAOYSA-N	-1	0	553.641	3.346	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)ccc1N1CCCC1	ZINC000103049532	555231490	/nfs/dbraw/zinc/23/14/90/555231490.db2.gz	DXFJWCWNKAIFDY-OYRHEFFESA-N	-1	0	552.653	3.376	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)ccc1N1CCCC1	ZINC000103049534	555231473	/nfs/dbraw/zinc/23/14/73/555231473.db2.gz	DXFJWCWNKAIFDY-SFTDATJTSA-N	-1	0	552.653	3.376	50	0		KGAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)ccc1N1CCCC1	ZINC000103049537	555231541	/nfs/dbraw/zinc/23/15/41/555231541.db2.gz	DXFJWCWNKAIFDY-NHCUHLMSSA-N	-1	0	552.653	3.376	50	0		KGAARM
CCOC(=O)[C@@H]1CCCN(C(=O)CCc2n[n-]c(-c3ccc(OCc4ccccc4F)c(OC)c3)nc2=O)C1	ZINC000103059263	555239640	/nfs/dbraw/zinc/23/96/40/555239640.db2.gz	COGATZVCFBQALC-LJQANCHMSA-N	-1	0	538.576	3.293	50	0		KGAARM
CCOC(=O)[C@H]1CCCN(C(=O)CCc2n[n-]c(-c3ccc(OCc4ccccc4F)c(OC)c3)nc2=O)C1	ZINC000103059266	555239656	/nfs/dbraw/zinc/23/96/56/555239656.db2.gz	COGATZVCFBQALC-IBGZPJMESA-N	-1	0	538.576	3.293	50	0		KGAARM
CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)COC)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccc(OC)cc1	ZINC000103063649	555244439	/nfs/dbraw/zinc/24/44/39/555244439.db2.gz	ZEFZTERGSALWNN-OAHLLOKOSA-N	-1	0	546.602	3.342	50	0		KGAARM
CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)COC)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccc(OC)cc1	ZINC000103063651	555244434	/nfs/dbraw/zinc/24/44/34/555244434.db2.gz	ZEFZTERGSALWNN-HNNXBMFYSA-N	-1	0	546.602	3.342	50	0		KGAARM
COCCNS(=O)(=O)c1cc(NC(=O)C(C)C)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccccc1C	ZINC000103066310	555246699	/nfs/dbraw/zinc/24/66/99/555246699.db2.gz	XBDJBNUKCCMMTD-UHFFFAOYSA-N	-1	0	530.603	3.499	50	0		KGAARM
COCCNS(=O)(=O)c1cc(NC(=O)C2CC2)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccccc1C	ZINC000103066343	555246603	/nfs/dbraw/zinc/24/66/03/555246603.db2.gz	XTRSUQKMMUGONI-UHFFFAOYSA-N	-1	0	528.587	3.253	50	0		KGAARM
Cn1nc(C(=O)[O-])cc1Oc1ccc(NC(=O)C2CCCC2)cc1S(=O)(=O)NCc1ccc2c(c1)OCO2	ZINC000103074909	555254656	/nfs/dbraw/zinc/25/46/56/555254656.db2.gz	QTBAWYDFVBEVSM-UHFFFAOYSA-N	-1	0	542.570	3.247	50	0		KGAARM
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1	ZINC000103077589	555256329	/nfs/dbraw/zinc/25/63/29/555256329.db2.gz	SLFZURGFPOQRNP-MRXNPFEDSA-N	-1	0	551.668	3.292	50	0		KGAARM
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1	ZINC000103077591	555256412	/nfs/dbraw/zinc/25/64/12/555256412.db2.gz	SLFZURGFPOQRNP-INIZCTEOSA-N	-1	0	551.668	3.292	50	0		KGAARM
COCCNS(=O)(=O)c1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1Oc1c(C)c(C(=O)[O-])nn1C(C)(C)C	ZINC000103087869	555266768	/nfs/dbraw/zinc/26/67/68/555266768.db2.gz	GHPIYGAWTDRSFO-UHFFFAOYSA-N	-1	0	574.612	3.343	50	0		KGAARM
CCN(C(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1C)[C@@H]1CCS(=O)(=O)C1	ZINC000103090063	555269230	/nfs/dbraw/zinc/26/92/30/555269230.db2.gz	GJVGJOQIPILCEC-HXUWFJFHSA-N	-1	0	550.699	3.286	50	0		KGAARM
CCN(C(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1C)[C@H]1CCS(=O)(=O)C1	ZINC000103090066	555269109	/nfs/dbraw/zinc/26/91/09/555269109.db2.gz	GJVGJOQIPILCEC-FQEVSTJZSA-N	-1	0	550.699	3.286	50	0		KGAARM
Cc1c(C(=O)[O-])nn(C)c1Oc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1S(=O)(=O)NC(C)(C)C	ZINC000103092747	555271601	/nfs/dbraw/zinc/27/16/01/555271601.db2.gz	ZJZBLKYAMDWTSJ-UHFFFAOYSA-N	-1	0	530.559	3.277	50	0		KGAARM
COCCNS(=O)(=O)c1cc(NC(=O)C2CC2)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccc(C)cc1	ZINC000103099556	555277120	/nfs/dbraw/zinc/27/71/20/555277120.db2.gz	DTVHJYZLWBCCEI-UHFFFAOYSA-N	-1	0	528.587	3.253	50	0		KGAARM
Cc1c(C(=O)[O-])nn(-c2ccc(C)cc2)c1Oc1ccc(NC(=O)C2CC2)cc1S(=O)(=O)N1CCOCC1	ZINC000103099605	555277227	/nfs/dbraw/zinc/27/72/27/555277227.db2.gz	CQDSJHFLPWWBEH-UHFFFAOYSA-N	-1	0	540.598	3.349	50	0		KGAARM
COCCNS(=O)(=O)c1cc(NC(=O)C(C)C)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccc(C)cc1	ZINC000103099675	555277503	/nfs/dbraw/zinc/27/75/03/555277503.db2.gz	JAIBZEFABMMNBR-UHFFFAOYSA-N	-1	0	530.603	3.499	50	0		KGAARM
COCCNS(=O)(=O)c1cc(NC(=O)C(C)C)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccc(OC)cc1	ZINC000103099690	555277506	/nfs/dbraw/zinc/27/75/06/555277506.db2.gz	IROUQGYEWFVYDO-UHFFFAOYSA-N	-1	0	546.602	3.199	50	0		KGAARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)s1)NC(=O)NC1CCCC1	ZINC000103101855	555279309	/nfs/dbraw/zinc/27/93/09/555279309.db2.gz	PSTCLYHDUFIJAR-UHFFFAOYSA-N	-1	0	530.422	3.237	50	0		KGAARM
C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000103105670	555282731	/nfs/dbraw/zinc/28/27/31/555282731.db2.gz	PNDVSBLWFGSERY-KRWDZBQOSA-N	-1	0	590.452	3.373	50	0		KGAARM
C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000103105673	555282680	/nfs/dbraw/zinc/28/26/80/555282680.db2.gz	PNDVSBLWFGSERY-QGZVFWFLSA-N	-1	0	590.452	3.373	50	0		KGAARM
COc1ccccc1-n1c(=O)c2[n-][nH]n(CC(=O)N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)c=2c1=O	ZINC000103151645	555317223	/nfs/dbraw/zinc/31/72/23/555317223.db2.gz	DLNGBFWGFYBRBJ-RCXJIHSJSA-N	-1	0	508.538	3.366	50	0		KGAARM
COc1ccccc1-n1c(=O)c2[n-][nH]n(CC(=O)N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)c=2c1=O	ZINC000103151647	555317291	/nfs/dbraw/zinc/31/72/91/555317291.db2.gz	DLNGBFWGFYBRBJ-DNRSQYFGSA-N	-1	0	508.538	3.366	50	0		KGAARM
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccnc3OC)cc2)cc1	ZINC000103212581	1059076771	/nfs/dbraw/zinc/07/67/71/1059076771.db2.gz	KWDUKHXHGZQMAG-UHFFFAOYSA-N	-1	0	547.659	3.349	50	0		KGAARM
Cc1c(C(=O)[O-])nn(-c2ccc(F)cc2)c1Oc1ccc(NC(=O)C2CCC2)cc1S(=O)(=O)NCCN1CCOCC1	ZINC000103235756	555342247	/nfs/dbraw/zinc/34/22/47/555342247.db2.gz	FCHQPNUQBQPUPX-UHFFFAOYSA-N	-1	0	601.657	3.159	50	0		KGAARM
Cc1c(C(=O)[O-])nn(-c2ccccc2)c1Oc1ccc(NC(=O)C(C)C)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000103235788	555342356	/nfs/dbraw/zinc/34/23/56/555342356.db2.gz	UDGGOQMDRAIUQL-UHFFFAOYSA-N	-1	0	541.630	3.202	50	0		KGAARM
Cc1c(C(=O)[O-])nn(-c2ccccc2C)c1Oc1ccc(NC(=O)C2CC2)cc1S(=O)(=O)N1CCOCC1	ZINC000103237501	555342611	/nfs/dbraw/zinc/34/26/11/555342611.db2.gz	DSBYTMMAPBKQSM-UHFFFAOYSA-N	-1	0	540.598	3.349	50	0		KGAARM
CCOC(=O)[C@@H]1CCCN(C(=O)CCc2n[n-]c(-c3ccc(OCc4cccc(F)c4)c(OC)c3)nc2=O)C1	ZINC000103245778	555343181	/nfs/dbraw/zinc/34/31/81/555343181.db2.gz	KWAODWMUBBTRIV-HXUWFJFHSA-N	-1	0	538.576	3.293	50	0		KGAARM
CCOC(=O)[C@H]1CCCN(C(=O)CCc2n[n-]c(-c3ccc(OCc4cccc(F)c4)c(OC)c3)nc2=O)C1	ZINC000103245781	555343126	/nfs/dbraw/zinc/34/31/26/555343126.db2.gz	KWAODWMUBBTRIV-FQEVSTJZSA-N	-1	0	538.576	3.293	50	0		KGAARM
CCOC(=O)[C@@H]1CCCN(C(=O)CCc2n[n-]c(-c3ccc(OCc4cccc(OC)c4)c(OC)c3)nc2=O)C1	ZINC000103296394	555354561	/nfs/dbraw/zinc/35/45/61/555354561.db2.gz	MTDGRGYLPHXZHR-OAQYLSRUSA-N	-1	0	550.612	3.162	50	0		KGAARM
CCOC(=O)[C@H]1CCCN(C(=O)CCc2n[n-]c(-c3ccc(OCc4cccc(OC)c4)c(OC)c3)nc2=O)C1	ZINC000103296398	555354800	/nfs/dbraw/zinc/35/48/00/555354800.db2.gz	MTDGRGYLPHXZHR-NRFANRHFSA-N	-1	0	550.612	3.162	50	0		KGAARM
CCN1CCN(S(=O)(=O)c2cc(NC(=O)c3ccccc3C)ccc2Oc2c(C)c(C(=O)[O-])nn2C)CC1	ZINC000103366068	555365793	/nfs/dbraw/zinc/36/57/93/555365793.db2.gz	KMIYAXKQILWNGB-UHFFFAOYSA-N	-1	0	541.630	3.106	50	0		KGAARM
Cc1c(C(=O)[O-])nn(-c2cccc(F)c2)c1Oc1ccc(NC(=O)C(C)C)cc1S(=O)(=O)NCCN1CCOCC1	ZINC000103374189	555369091	/nfs/dbraw/zinc/36/90/91/555369091.db2.gz	JHBGQTUENRAOAG-UHFFFAOYSA-N	-1	0	589.646	3.015	50	0		KGAARM
CCN1CCN(S(=O)(=O)c2cc(NC(=O)C3CC3)ccc2Oc2c(C)c(C(=O)[O-])nn2-c2cccc(F)c2)CC1	ZINC000103374193	555369048	/nfs/dbraw/zinc/36/90/48/555369048.db2.gz	CTIWPTLUWVEOSF-UHFFFAOYSA-N	-1	0	571.631	3.485	50	0		KGAARM
CC[C@@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2ccccc2)c(S(=O)(=O)NCCN2CCOCC2)c1	ZINC000103374207	555369080	/nfs/dbraw/zinc/36/90/80/555369080.db2.gz	BNHWGGVFSLUWRV-LJQANCHMSA-N	-1	0	585.683	3.266	50	0		KGAARM
CC[C@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2ccccc2)c(S(=O)(=O)NCCN2CCOCC2)c1	ZINC000103374210	555369074	/nfs/dbraw/zinc/36/90/74/555369074.db2.gz	BNHWGGVFSLUWRV-IBGZPJMESA-N	-1	0	585.683	3.266	50	0		KGAARM
Cc1c(C(=O)[O-])nn(-c2cccc(F)c2)c1Oc1ccc(NC(=O)C2CCC2)cc1S(=O)(=O)NCCN1CCOCC1	ZINC000103374221	555368993	/nfs/dbraw/zinc/36/89/93/555368993.db2.gz	MYBUBMNCWNHGIJ-UHFFFAOYSA-N	-1	0	601.657	3.159	50	0		KGAARM
Cc1c(C(=O)[O-])nn(-c2ccccc2)c1Oc1ccc(NC(=O)CC(C)C)cc1S(=O)(=O)NCCN1CCOCC1	ZINC000103374264	555368969	/nfs/dbraw/zinc/36/89/69/555368969.db2.gz	HKOWWHVNLBFGEA-UHFFFAOYSA-N	-1	0	585.683	3.266	50	0		KGAARM
Cc1c(C(=O)[O-])nn(-c2cccc(F)c2)c1Oc1ccc(NC(=O)CC(C)C)cc1S(=O)(=O)NCCN1CCOCC1	ZINC000103374301	555369460	/nfs/dbraw/zinc/36/94/60/555369460.db2.gz	LRDMDCUARRKHKE-UHFFFAOYSA-N	-1	0	603.673	3.405	50	0		KGAARM
Cc1c(C(=O)[O-])nn(-c2ccccc2)c1Oc1ccc(NC(=O)c2ccco2)cc1S(=O)(=O)NCCN1CCOCC1	ZINC000103374349	555369463	/nfs/dbraw/zinc/36/94/63/555369463.db2.gz	YVSLCVZBHAZGOF-UHFFFAOYSA-N	-1	0	595.634	3.127	50	0		KGAARM
CC[C@@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2cccc(F)c2)c(S(=O)(=O)NCCN2CCOCC2)c1	ZINC000103374364	555369391	/nfs/dbraw/zinc/36/93/91/555369391.db2.gz	OPNUQWHHERUJFM-GOSISDBHSA-N	-1	0	603.673	3.405	50	0		KGAARM
CC[C@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2cccc(F)c2)c(S(=O)(=O)NCCN2CCOCC2)c1	ZINC000103374367	555369360	/nfs/dbraw/zinc/36/93/60/555369360.db2.gz	OPNUQWHHERUJFM-SFHVURJKSA-N	-1	0	603.673	3.405	50	0		KGAARM
Cc1c(C(=O)[O-])nn(C(C)(C)C)c1Oc1ccc(NC(=O)c2ccco2)cc1S(=O)(=O)N1CCOCC1	ZINC000103378299	555370268	/nfs/dbraw/zinc/37/02/68/555370268.db2.gz	NZRQWRCZCNLXGE-UHFFFAOYSA-N	-1	0	532.575	3.303	50	0		KGAARM
Cc1c(C(=O)[O-])nn(-c2cccc(F)c2)c1Oc1ccc(NC(=O)C2CC2)cc1S(=O)(=O)N1CCOCC1	ZINC000103393734	555377819	/nfs/dbraw/zinc/37/78/19/555377819.db2.gz	GPCBNBCISOCXAW-UHFFFAOYSA-N	-1	0	544.561	3.180	50	0		KGAARM
Cc1c(C(=O)[O-])nn(-c2cccc(F)c2)c1Oc1ccc(NC(=O)C(C)C)cc1S(=O)(=O)NCCCN1CCOCC1	ZINC000103396280	555381781	/nfs/dbraw/zinc/38/17/81/555381781.db2.gz	CPEMAXGXVOWIBJ-UHFFFAOYSA-N	-1	0	603.673	3.405	50	0		KGAARM
CCC(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2cccc(F)c2)c(S(=O)(=O)NCCCN2CCOCC2)c1	ZINC000103396320	555382076	/nfs/dbraw/zinc/38/20/76/555382076.db2.gz	RSFGWYGKQHEEOG-UHFFFAOYSA-N	-1	0	589.646	3.159	50	0		KGAARM
COCCNS(=O)(=O)c1cc(NC(=O)C(C)C)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccc(F)cc1	ZINC000103396348	555382156	/nfs/dbraw/zinc/38/21/56/555382156.db2.gz	VCEJVBWORFPDRS-UHFFFAOYSA-N	-1	0	534.566	3.330	50	0		KGAARM
CC[C@@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2ccc(OC)cc2)c(S(=O)(=O)NCCN2CCOCC2)c1	ZINC000103402645	555388697	/nfs/dbraw/zinc/38/86/97/555388697.db2.gz	YHTSUKRAGZYLKG-LJQANCHMSA-N	-1	0	615.709	3.275	50	0		KGAARM
CC[C@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2ccc(OC)cc2)c(S(=O)(=O)NCCN2CCOCC2)c1	ZINC000103402648	555388764	/nfs/dbraw/zinc/38/87/64/555388764.db2.gz	YHTSUKRAGZYLKG-IBGZPJMESA-N	-1	0	615.709	3.275	50	0		KGAARM
COc1ccc(-n2nc(C(=O)[O-])c(C)c2Oc2ccc(NC(=O)CC(C)C)cc2S(=O)(=O)NCCN2CCOCC2)cc1	ZINC000103402672	555388686	/nfs/dbraw/zinc/38/86/86/555388686.db2.gz	KLUXNDHDKFSHON-UHFFFAOYSA-N	-1	0	615.709	3.275	50	0		KGAARM
CCN1CCN(S(=O)(=O)c2cc(NC(=O)C3CC3)ccc2Oc2c(C)c(C(=O)[O-])nn2-c2ccc(OC)cc2)CC1	ZINC000103402729	555389107	/nfs/dbraw/zinc/38/91/07/555389107.db2.gz	HSZMRWINHWWXNR-UHFFFAOYSA-N	-1	0	583.667	3.355	50	0		KGAARM
COCCNS(=O)(=O)c1cc(NC(=O)c2ccco2)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1ccccc1	ZINC000103408006	555393446	/nfs/dbraw/zinc/39/34/46/555393446.db2.gz	ITRRYFGOOKQWPL-UHFFFAOYSA-N	-1	0	540.554	3.441	50	0		KGAARM
CCn1nc(C(=O)[O-])c(C)c1Oc1ccc(NC(=O)c2ccccc2F)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000103408034	555393561	/nfs/dbraw/zinc/39/35/61/555393561.db2.gz	OACNIYULWMHVIJ-UHFFFAOYSA-N	-1	0	545.593	3.029	50	0		KGAARM
Cc1c(C(=O)[O-])nn(-c2ccccc2)c1Oc1ccc(NC(=O)C2CCC2)cc1S(=O)(=O)N1CCOCC1	ZINC000103408039	555393540	/nfs/dbraw/zinc/39/35/40/555393540.db2.gz	JUJKWLDKLLUJNJ-UHFFFAOYSA-N	-1	0	540.598	3.431	50	0		KGAARM
CCn1nc(C(=O)[O-])c(C)c1Oc1ccc(NC(=O)c2ccccc2C)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000103408049	555393427	/nfs/dbraw/zinc/39/34/27/555393427.db2.gz	YFGUGAKZZFIMJN-UHFFFAOYSA-N	-1	0	541.630	3.199	50	0		KGAARM
COCC(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2ccc(OC)cc2)c(S(=O)(=O)NCc2ccco2)c1	ZINC000103420399	555400499	/nfs/dbraw/zinc/40/04/99/555400499.db2.gz	ABPVCPXEBVLASG-UHFFFAOYSA-N	-1	0	570.580	3.336	50	0		KGAARM
COCCNS(=O)(=O)c1cc(NC(=O)C2CC2)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1cccc(F)c1	ZINC000103426437	555407704	/nfs/dbraw/zinc/40/77/04/555407704.db2.gz	VKVPWYGPFVKLBI-UHFFFAOYSA-N	-1	0	532.550	3.084	50	0		KGAARM
COc1ccc(-n2nc(C(=O)[O-])c(C)c2Oc2ccc(NC(=O)C3CC3)cc2S(=O)(=O)NC2CC2)cc1	ZINC000103426460	555407650	/nfs/dbraw/zinc/40/76/50/555407650.db2.gz	QVMAHMFVKYFROU-UHFFFAOYSA-N	-1	0	526.571	3.469	50	0		KGAARM
CCC(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2cccc(F)c2)c(S(=O)(=O)NCCCOC)c1	ZINC000103426484	555407700	/nfs/dbraw/zinc/40/77/00/555407700.db2.gz	OJWNUTNSLYLCNY-UHFFFAOYSA-N	-1	0	534.566	3.474	50	0		KGAARM
COCCNS(=O)(=O)c1cc(NC(=O)C2CCC2)ccc1Oc1c(C)c(C(=O)[O-])nn1-c1cccc(F)c1	ZINC000103426549	555408129	/nfs/dbraw/zinc/40/81/29/555408129.db2.gz	KMJZFEKYISUGOA-UHFFFAOYSA-N	-1	0	546.577	3.474	50	0		KGAARM
Cc1c(C(=O)[O-])nn(-c2ccccc2)c1Oc1ccc(NC(=O)C2CCCC2)cc1S(=O)(=O)NCCN1CCOCC1	ZINC000103426571	555408148	/nfs/dbraw/zinc/40/81/48/555408148.db2.gz	NHNRXUXNXMQJID-UHFFFAOYSA-N	-1	0	597.694	3.410	50	0		KGAARM
CCOc1cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(I)c1O	ZINC000103723366	555465132	/nfs/dbraw/zinc/46/51/32/555465132.db2.gz	LPGWZPASQKAXAZ-SXGWCWSVSA-N	-1	0	521.311	3.235	50	0		KGAARM
CCOc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000103848313	571363752	/nfs/dbraw/zinc/36/37/52/571363752.db2.gz	DQIMJPHPSVUGAW-PXNMLYILSA-N	-1	0	540.285	3.385	50	0		KGAARM
Cc1c(F)cccc1[N-]S(=O)(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2C)ccc1OCCn1cnnn1	ZINC000104496005	571381204	/nfs/dbraw/zinc/38/12/04/571381204.db2.gz	QLDGBGSUGSNTMS-UHFFFAOYSA-N	-1	0	564.596	3.249	50	0		KGAARM
C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)C(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000105484485	571405093	/nfs/dbraw/zinc/40/50/93/571405093.db2.gz	IHTBLPBNUSITNH-GLCHGYBISA-N	-1	0	538.626	3.287	50	0		KGAARM
C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)C(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000105484488	571405057	/nfs/dbraw/zinc/40/50/57/571405057.db2.gz	IHTBLPBNUSITNH-AEBPFMNOSA-N	-1	0	538.626	3.287	50	0		KGAARM
COc1cc([N+](=O)[O-])cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)c1[O-]	ZINC000106017109	1060060146	/nfs/dbraw/zinc/06/01/46/1060060146.db2.gz	PSCVZNQMFHSWSD-LYFUXTGPSA-N	-1	0	543.985	3.463	50	0		KGAARM
COc1cc([N+](=O)[O-])cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)c1[O-]	ZINC000106017113	1060060497	/nfs/dbraw/zinc/06/04/97/1060060497.db2.gz	PSCVZNQMFHSWSD-BYHQVZLYSA-N	-1	0	543.985	3.463	50	0		KGAARM
CC[C@H](C)[C@@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)NCC1CCC(C(=O)[O-])CC1	ZINC000106021564	571410897	/nfs/dbraw/zinc/41/08/97/571410897.db2.gz	DARWWBXHWMVULB-SDPYRVESSA-N	-1	0	562.667	3.012	50	0		KGAARM
COc1ccccc1C(=O)Nc1ccc(Oc2cc(C(=O)[O-])nn2C)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1	ZINC000106594270	571413053	/nfs/dbraw/zinc/41/30/53/571413053.db2.gz	SJUQNENTWKXVGP-UHFFFAOYSA-N	-1	0	580.575	3.379	50	0		KGAARM
Cc1c(C(=O)[O-])nn(C(C)(C)C)c1Oc1ccc(NC(=O)C(C)C)cc1S(=O)(=O)N1CCOCC1	ZINC000106889144	571418502	/nfs/dbraw/zinc/41/85/02/571418502.db2.gz	PNHFQCRSDGANTM-UHFFFAOYSA-N	-1	0	508.597	3.052	50	0		KGAARM
COCCNS(=O)(=O)c1cc(NC(=O)C2CCCC2)ccc1Oc1c(C)c(C(=O)[O-])nn1C(C)(C)C	ZINC000106890102	571418613	/nfs/dbraw/zinc/41/86/13/571418613.db2.gz	DHAZUXIXCMMRNV-UHFFFAOYSA-N	-1	0	522.624	3.490	50	0		KGAARM
Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ncc(=O)[n-]c3=O)[C@H](OC(=O)c3ccc(C)cc3)[C@@H]2OC(=O)c2ccc(C)cc2)cc1	ZINC000108447316	571423672	/nfs/dbraw/zinc/42/36/72/571423672.db2.gz	ZRSOSQMNRACOLI-YULOIDQLSA-N	-1	0	599.596	3.062	50	0	biogenic	KGAARM
C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1C[C@H](C)C[C@@H](C)C1	ZINC000108861420	571426896	/nfs/dbraw/zinc/42/68/96/571426896.db2.gz	IAPPRJDNITWNHW-KURKYZTESA-N	-1	0	502.589	3.308	50	0		KGAARM
C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1C[C@H](C)C[C@H](C)C1	ZINC000108861423	571426946	/nfs/dbraw/zinc/42/69/46/571426946.db2.gz	IAPPRJDNITWNHW-KSZLIROESA-N	-1	0	502.589	3.308	50	0		KGAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)N1NN(c2ccccc2)C[C@@H]1c1ccccc1	ZINC000109014328	571428063	/nfs/dbraw/zinc/42/80/63/571428063.db2.gz	DLMIEZNIBYLAAZ-JRFVFWCSSA-N	-1	0	515.961	3.143	50	0		KGAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)N1NN(c2ccccc2)C[C@@H]1c1ccccc1	ZINC000109014334	571428085	/nfs/dbraw/zinc/42/80/85/571428085.db2.gz	DLMIEZNIBYLAAZ-GMKZXUHWSA-N	-1	0	515.961	3.143	50	0		KGAARM
O=C([O-])C=CC(=O)Nc1ccc(S[C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)cc1	ZINC000112230335	571434108	/nfs/dbraw/zinc/43/41/08/571434108.db2.gz	GULSRWUEZWGICE-ZNFPLGDCSA-N	-1	0	522.320	3.295	50	0		KGAARM
O=C([O-])C=CC(=O)Nc1ccc(S[C@H]2CC(=O)N(c3ccc(I)cc3)C2=O)cc1	ZINC000112230337	571434151	/nfs/dbraw/zinc/43/41/51/571434151.db2.gz	GULSRWUEZWGICE-SCOAYWHSSA-N	-1	0	522.320	3.295	50	0		KGAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CSC(=S)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc2)n1	ZINC000113481175	571439061	/nfs/dbraw/zinc/43/90/61/571439061.db2.gz	YYDZGBKPWXZFAK-MOPGFXCFSA-N	-1	0	584.749	3.132	50	0		KGAARM
COc1cccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCc2ccccc2NC(=O)/C=C/C(=O)[O-])c1OC	ZINC000113560553	571440068	/nfs/dbraw/zinc/44/00/68/571440068.db2.gz	PWLWASHSHGFKGH-MJAYLYEDSA-N	-1	0	529.549	3.370	50	0		KGAARM
O=C([O-])C=CC(=O)Nc1cccc(S[C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)c1	ZINC000113561217	571440141	/nfs/dbraw/zinc/44/01/41/571440141.db2.gz	KDEZKPLUOVWUAU-ROJDOSBLSA-N	-1	0	522.320	3.295	50	0		KGAARM
O=C([O-])C=CC(=O)Nc1cccc(S[C@H]2CC(=O)N(c3ccc(I)cc3)C2=O)c1	ZINC000113561218	571440169	/nfs/dbraw/zinc/44/01/69/571440169.db2.gz	KDEZKPLUOVWUAU-FDMDGMSGSA-N	-1	0	522.320	3.295	50	0		KGAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)cc2)no1	ZINC000143681097	571456343	/nfs/dbraw/zinc/45/63/43/571456343.db2.gz	MJEMRBXNKNPROX-UHFFFAOYSA-N	-1	0	518.617	3.457	50	0		KGAARM
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Br)cc3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000150377690	571466476	/nfs/dbraw/zinc/46/64/76/571466476.db2.gz	PHGHKHVDCGNPQE-UZINISAASA-N	-1	0	637.432	3.042	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)[C@H](C)n4nc(C(F)(F)F)c(Br)c4C)[C@H]3SC2)s1	ZINC000150393481	571475041	/nfs/dbraw/zinc/47/50/41/571475041.db2.gz	RLXSGQJICSGHDE-RBNDEXQUSA-N	-1	0	627.490	3.225	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)[C@@H](C)n4nc(C(F)(F)F)c(Br)c4C)[C@H]3SC2)s1	ZINC000150393485	571475082	/nfs/dbraw/zinc/47/50/82/571475082.db2.gz	RLXSGQJICSGHDE-CFEGQOMGSA-N	-1	0	627.490	3.225	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cn4nc(C(F)(F)F)c(Br)c4C4CC4)[C@H]3SC2)s1	ZINC000150397233	571476876	/nfs/dbraw/zinc/47/68/76/571476876.db2.gz	MBSKBIAEARRQHO-SJKOYZFVSA-N	-1	0	639.501	3.233	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cn4nc(C(F)(F)F)c(Br)c4C4CC4)[C@@H]3SC2)s1	ZINC000150397234	571476883	/nfs/dbraw/zinc/47/68/83/571476883.db2.gz	MBSKBIAEARRQHO-PXAZEXFGSA-N	-1	0	639.501	3.233	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)Cn4nc(C(F)(F)F)c(Br)c4C4CC4)[C@H]3SC2)s1	ZINC000150397235	571476894	/nfs/dbraw/zinc/47/68/94/571476894.db2.gz	MBSKBIAEARRQHO-YVEFUNNKSA-N	-1	0	639.501	3.233	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)Cn4nc(C(F)(F)F)c(Br)c4C4CC4)[C@@H]3SC2)s1	ZINC000150397237	571476864	/nfs/dbraw/zinc/47/68/64/571476864.db2.gz	MBSKBIAEARRQHO-SJCJKPOMSA-N	-1	0	639.501	3.233	50	0		KGAARM
Cc1c(C(=O)[O-])nn(-c2ccccc2)c1Oc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1S(=O)(=O)NCCN1CCOCC1	ZINC000150432397	571494030	/nfs/dbraw/zinc/49/40/30/571494030.db2.gz	ISNKHXYLEMIJTD-UHFFFAOYSA-N	-1	0	649.682	3.263	50	0		KGAARM
CCn1c(=O)/c(=C\C=C2/SC(C)=C(C)N2CCCS(=O)(=O)[O-])s/c1=C\c1scc(-c2ccccc2)[n+]1CCCS(=O)(=O)[O-]	ZINC000150476220	571510892	/nfs/dbraw/zinc/51/08/92/571510892.db2.gz	CBXJIUXZTUHCHP-WCNZDVDASA-O	-1	0	684.929	3.252	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)[C@H](C)n4nc(C(F)(F)F)c(Br)c4C)[C@@H]3SC2)s1	ZINC000150623448	571523545	/nfs/dbraw/zinc/52/35/45/571523545.db2.gz	RLXSGQJICSGHDE-FGJULOEWSA-N	-1	0	627.490	3.225	50	0		KGAARM
CCn1c(=O)/c(=C\C=C2/C=CN(CCS(=O)(=O)[O-])c3ccccc32)s/c1=C/c1scc(-c2ccccc2)[n+]1CCCS(=O)(=O)[O-]	ZINC000150637127	571524480	/nfs/dbraw/zinc/52/44/80/571524480.db2.gz	ZCBNANDCONXAPX-MUURULLHSA-O	-1	0	686.879	3.138	50	0		KGAARM
COc1ccc(C(OC[C@H]2O[C@@H](n3ncc(=O)[n-]c3=O)[C@H](O[C@@H]3CCCCO3)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000198690599	571568402	/nfs/dbraw/zinc/56/84/02/571568402.db2.gz	NBPFGUBSWGSNAZ-CYWWGENVSA-N	-1	0	631.682	3.128	50	0		KGAARM
COc1ccc(C(OC[C@H]2O[C@@H](n3ncc(=O)[n-]c3=O)[C@H](O[C@H]3CCCCO3)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000198690618	571568397	/nfs/dbraw/zinc/56/83/97/571568397.db2.gz	NBPFGUBSWGSNAZ-AQTFCTACSA-N	-1	0	631.682	3.128	50	0		KGAARM
O=C([O-])CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000214943073	571581913	/nfs/dbraw/zinc/58/19/13/571581913.db2.gz	NAILXQLIMFAMGQ-UHFFFAOYSA-N	-1	0	751.867	3.166	50	0		KGAARM
COC(=O)C[C@H](c1ccc(OCCc2ccc3c(c2)CCO3)cc1)c1c(O)cc(C)n(CC(=O)[O-])c1=O	ZINC000217602239	571601810	/nfs/dbraw/zinc/60/18/10/571601810.db2.gz	OXJGITAVXMPJMN-JOCHJYFZSA-N	-1	0	507.539	3.198	50	0		KGAARM
COC(=O)C[C@@H](c1ccc(OCCc2ccc3c(c2)CCO3)cc1)c1c(O)cc(C)n(CC(=O)[O-])c1=O	ZINC000217602304	571601848	/nfs/dbraw/zinc/60/18/48/571601848.db2.gz	OXJGITAVXMPJMN-QFIPXVFZSA-N	-1	0	507.539	3.198	50	0		KGAARM
COC(=O)C[C@H](c1ccc(OCCc2ccc3c(c2)CCO3)c(OC)c1)c1c(O)cc(C)n(CC(=O)[O-])c1=O	ZINC000217635989	571602065	/nfs/dbraw/zinc/60/20/65/571602065.db2.gz	MEPBSGCKWLLKIR-OAQYLSRUSA-N	-1	0	537.565	3.207	50	0		KGAARM
COC(=O)C[C@@H](c1ccc(OCCc2ccc3c(c2)CCO3)c(OC)c1)c1c(O)cc(C)n(CC(=O)[O-])c1=O	ZINC000217636067	571602005	/nfs/dbraw/zinc/60/20/05/571602005.db2.gz	MEPBSGCKWLLKIR-NRFANRHFSA-N	-1	0	537.565	3.207	50	0		KGAARM
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N[C@H](C(=O)[O-])c3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000218052478	571603210	/nfs/dbraw/zinc/60/32/10/571603210.db2.gz	XUWKCKUEHREISC-DWACAAAGSA-N	-1	0	575.618	3.217	50	0		KGAARM
CCOc1cc(C(=O)[O-])cc(I)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000220972885	571604211	/nfs/dbraw/zinc/60/42/11/571604211.db2.gz	VHFAIRRYNTZGAK-UHFFFAOYSA-N	-1	0	505.286	3.114	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)[C@@H](C)n4nc(C(F)(F)F)c(Br)c4C)[C@@H]3SC2)s1	ZINC000226594745	572139218	/nfs/dbraw/zinc/13/92/18/572139218.db2.gz	RLXSGQJICSGHDE-GJCVFUNYSA-N	-1	0	627.490	3.225	50	0		KGAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)[C@@H](C)n4nc(C(F)(F)F)c(Cl)c4C)[C@@H]3SC2)s1	ZINC000226596225	572139049	/nfs/dbraw/zinc/13/90/49/572139049.db2.gz	ZTQOKUYLKZQROV-GJCVFUNYSA-N	-1	0	583.039	3.116	50	0		KGAARM
Cc1ccc(C(=O)OC[C@@H]2O[C@H](n3ncc(=O)[n-]c3=O)[C@@H](OC(=O)c3ccc(C)cc3)[C@@H]2OC(=O)c2ccc(C)cc2)cc1	ZINC000229868396	572163101	/nfs/dbraw/zinc/16/31/01/572163101.db2.gz	ZRSOSQMNRACOLI-WHENYANWSA-N	-1	0	599.596	3.062	50	0		KGAARM
COc1ccc(CCN2C(=O)NC(=O)[C@@]3(Cc4ccccc4N4CCN(c5ccccc5)C[C@H]43)C2=O)cc1OC	ZINC000229965211	572174690	/nfs/dbraw/zinc/17/46/90/572174690.db2.gz	OZPJELXQAXGZCQ-DHIFEGFHSA-N	-1	0	540.620	3.467	50	0		KGAARM
O=C1[N-]C(=O)[C@@]2(Cc3c(=O)n4ccccc4nc3N3CCCCC[C@H]32)C(=O)N1Cc1ccccc1Cl	ZINC000229985411	572176675	/nfs/dbraw/zinc/17/66/75/572176675.db2.gz	ZQLAGGCXZCOZRF-SIBVEZHUSA-N	-1	0	505.962	3.122	50	0		KGAARM
Cc1ccc(CN2C(=O)NC(=O)[C@@]3(Cc4c(=O)n5ccccc5nc4N4CCc5ccccc5[C@H]43)C2=O)cc1	ZINC000230020883	572179150	/nfs/dbraw/zinc/17/91/50/572179150.db2.gz	KYTREBDKEQELLN-NGQVCNFZSA-N	-1	0	519.561	3.132	50	0		KGAARM
Cc1ccc(CN2C(=O)NC(=O)[C@]3(Cc4c(=O)n5ccccc5nc4N4CCc5ccccc5[C@H]43)C2=O)cc1	ZINC000230020885	572179139	/nfs/dbraw/zinc/17/91/39/572179139.db2.gz	KYTREBDKEQELLN-QABMSTFYSA-N	-1	0	519.561	3.132	50	0		KGAARM
CC(C)(C)NC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1[C@H](C(=O)[O-])COC1(C)C	ZINC000230476260	572186538	/nfs/dbraw/zinc/18/65/38/572186538.db2.gz	XGFUSEUVGFMDEN-GOTSBHOMSA-N	-1	0	537.613	3.247	50	0		KGAARM
C[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@H]4c3ccc(Br)cc3)[C@@H]2C1=O	ZINC000245225687	572202659	/nfs/dbraw/zinc/20/26/59/572202659.db2.gz	DOIPUUDPLMDXBJ-HFYRTTNJSA-N	-1	0	535.441	3.145	50	0		KGAARM
C[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@@H]4c3ccc(Br)cc3)[C@@H]2C1=O	ZINC000245225688	572202692	/nfs/dbraw/zinc/20/26/92/572202692.db2.gz	DOIPUUDPLMDXBJ-HGGRJVBOSA-N	-1	0	535.441	3.145	50	0		KGAARM
C[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@H]4c3ccc(Br)cc3)[C@@H]2C1=O	ZINC000245225689	572202741	/nfs/dbraw/zinc/20/27/41/572202741.db2.gz	DOIPUUDPLMDXBJ-LQIHTZLESA-N	-1	0	535.441	3.145	50	0		KGAARM
C[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@@H]4c3ccc(Br)cc3)[C@@H]2C1=O	ZINC000245225690	572202733	/nfs/dbraw/zinc/20/27/33/572202733.db2.gz	DOIPUUDPLMDXBJ-OQONABCUSA-N	-1	0	535.441	3.145	50	0		KGAARM
O=C([O-])CCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@@H]4c3ccc(Br)cc3)[C@@H]2C1=O	ZINC000245225843	572203109	/nfs/dbraw/zinc/20/31/09/572203109.db2.gz	TWDRDVAODOOJMG-DFOKHIGZSA-N	-1	0	535.441	3.147	50	0		KGAARM
O=C([O-])CCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@H]4c3ccc(Br)cc3)[C@@H]2C1=O	ZINC000245225844	572203030	/nfs/dbraw/zinc/20/30/30/572203030.db2.gz	TWDRDVAODOOJMG-JHIOTIPFSA-N	-1	0	535.441	3.147	50	0		KGAARM
O=C([O-])CCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@H]4c3ccc(Br)cc3)[C@@H]2C1=O	ZINC000245225845	572203101	/nfs/dbraw/zinc/20/31/01/572203101.db2.gz	TWDRDVAODOOJMG-KIZYKOKZSA-N	-1	0	535.441	3.147	50	0		KGAARM
O=C([O-])CCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@@H]4c3ccc(Br)cc3)[C@@H]2C1=O	ZINC000245225846	572203016	/nfs/dbraw/zinc/20/30/16/572203016.db2.gz	TWDRDVAODOOJMG-QJXFVLBISA-N	-1	0	535.441	3.147	50	0		KGAARM
CC(C)[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@@H]4c3ccc(N(C)C)cc3)[C@@H]2C1=O	ZINC000245228731	572205351	/nfs/dbraw/zinc/20/53/51/572205351.db2.gz	DOHQHOWTYQATKV-GKKGLQGYSA-N	-1	0	527.668	3.085	50	0		KGAARM
CC(C)[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@@H]4c3ccc(N(C)C)cc3)[C@@H]2C1=O	ZINC000245228733	572205319	/nfs/dbraw/zinc/20/53/19/572205319.db2.gz	DOHQHOWTYQATKV-OJWHBJTBSA-N	-1	0	527.668	3.085	50	0		KGAARM
O=C([O-])CCCCCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@@H]4c3ccccc3O)[C@@H]2C1=O	ZINC000245228888	572206008	/nfs/dbraw/zinc/20/60/08/572206008.db2.gz	IHJNDCVVDVBQQE-MDJBEWOSSA-N	-1	0	514.625	3.260	50	0		KGAARM
O=C([O-])CCCCCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@@H]4c3ccccc3O)[C@@H]2C1=O	ZINC000245228889	572206019	/nfs/dbraw/zinc/20/60/19/572206019.db2.gz	IHJNDCVVDVBQQE-XPDSNTSVSA-N	-1	0	514.625	3.260	50	0		KGAARM
CC(C)C[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@@H]4c3ccc(N(C)C)cc3)[C@@H]2C1=O	ZINC000245229009	572205985	/nfs/dbraw/zinc/20/59/85/572205985.db2.gz	LDAMWTAAPYPHJT-SABPTEDYSA-N	-1	0	541.695	3.475	50	0		KGAARM
CC(C)C[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@@H]4c3ccc(N(C)C)cc3)[C@@H]2C1=O	ZINC000245229010	572206048	/nfs/dbraw/zinc/20/60/48/572206048.db2.gz	LDAMWTAAPYPHJT-UCUCSMLPSA-N	-1	0	541.695	3.475	50	0		KGAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)N1NN(c2ccccc2)C[C@H]1c1ccccc1	ZINC000245237054	572210640	/nfs/dbraw/zinc/21/06/40/572210640.db2.gz	DLMIEZNIBYLAAZ-QPTUXGOLSA-N	-1	0	515.961	3.143	50	0		KGAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)N1NN(c2ccccc2)C[C@H]1c1ccccc1	ZINC000245237057	572210611	/nfs/dbraw/zinc/21/06/11/572210611.db2.gz	DLMIEZNIBYLAAZ-QTJGBDASSA-N	-1	0	515.961	3.143	50	0		KGAARM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3c(sc(=O)n3-c3ccccc3)[C@@H]4c3ccccc3)[C@@H]2C1=O	ZINC000245238471	572211893	/nfs/dbraw/zinc/21/18/93/572211893.db2.gz	QCZWUQBVWMEHDX-FUDHMVDRSA-N	-1	0	518.616	3.457	50	0		KGAARM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3c(sc(=O)n3-c3ccccc3)[C@H]4c3ccccc3)[C@@H]2C1=O	ZINC000245238472	572211852	/nfs/dbraw/zinc/21/18/52/572211852.db2.gz	QCZWUQBVWMEHDX-GQSCFXBNSA-N	-1	0	518.616	3.457	50	0		KGAARM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3c(sc(=O)n3-c3ccccc3)[C@@H]4c3ccccc3)[C@@H]2C1=O	ZINC000245238473	572211960	/nfs/dbraw/zinc/21/19/60/572211960.db2.gz	QCZWUQBVWMEHDX-SFUHOGEXSA-N	-1	0	518.616	3.457	50	0		KGAARM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3c(sc(=O)n3-c3ccccc3)[C@H]4c3ccccc3)[C@@H]2C1=O	ZINC000245238474	572211956	/nfs/dbraw/zinc/21/19/56/572211956.db2.gz	QCZWUQBVWMEHDX-ZZFPVUGMSA-N	-1	0	518.616	3.457	50	0		KGAARM
CC(C)[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C1=O)[C@@H]1[C@H]3Sc2[nH]c(=O)sc2[C@@H]1c1ccc(N(C)C)cc1	ZINC000245257713	572223114	/nfs/dbraw/zinc/22/31/14/572223114.db2.gz	DOHQHOWTYQATKV-GCSNKARASA-N	-1	0	527.668	3.085	50	0		KGAARM
O=C([O-])CCCCCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@H]4c3ccc(O)cc3)[C@@H]2C1=O	ZINC000245258166	572223124	/nfs/dbraw/zinc/22/31/24/572223124.db2.gz	LZIPXXLVRNEISH-IYIKMHAFSA-N	-1	0	514.625	3.260	50	0		KGAARM
O=C([O-])CCCCCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@@H]4c3ccc(O)cc3)[C@@H]2C1=O	ZINC000245258167	572223085	/nfs/dbraw/zinc/22/30/85/572223085.db2.gz	LZIPXXLVRNEISH-QBDZZYRMSA-N	-1	0	514.625	3.260	50	0		KGAARM
O=C([O-])CCCCCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@@H]4c3ccc(O)cc3)[C@@H]2C1=O	ZINC000245258168	572223009	/nfs/dbraw/zinc/22/30/09/572223009.db2.gz	LZIPXXLVRNEISH-UZSJBGNBSA-N	-1	0	514.625	3.260	50	0		KGAARM
O=C([O-])CCCCCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@H]4c3ccc(O)cc3)[C@@H]2C1=O	ZINC000245258169	572222981	/nfs/dbraw/zinc/22/29/81/572222981.db2.gz	LZIPXXLVRNEISH-VYWDLEIRSA-N	-1	0	514.625	3.260	50	0		KGAARM
CC(C)C[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@@H]4c3cccs3)[C@@H]2C1=O	ZINC000245310399	572228116	/nfs/dbraw/zinc/22/81/16/572228116.db2.gz	IWWJXYFMUVZBTD-AUYRYDAVSA-N	-1	0	504.655	3.471	50	0		KGAARM
CC(C)C[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@H]4c3cccs3)[C@@H]2C1=O	ZINC000245310400	572228191	/nfs/dbraw/zinc/22/81/91/572228191.db2.gz	IWWJXYFMUVZBTD-BPCKNEJOSA-N	-1	0	504.655	3.471	50	0		KGAARM
CC(C)C[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@@H]4c3cccs3)[C@@H]2C1=O	ZINC000245310401	572228221	/nfs/dbraw/zinc/22/82/21/572228221.db2.gz	IWWJXYFMUVZBTD-IYIMYFLUSA-N	-1	0	504.655	3.471	50	0		KGAARM
CC(C)C[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@H]4c3cccs3)[C@@H]2C1=O	ZINC000245310402	572228243	/nfs/dbraw/zinc/22/82/43/572228243.db2.gz	IWWJXYFMUVZBTD-MYIGACPPSA-N	-1	0	504.655	3.471	50	0		KGAARM
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@H](C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccccc1	ZINC000245310406	572228079	/nfs/dbraw/zinc/22/80/79/572228079.db2.gz	JAAUQGRJABJHFN-LEAZDLGRSA-N	-1	0	505.637	3.161	50	0		KGAARM
CCC[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)CC1)C(=O)[O-]	ZINC000245326418	572232572	/nfs/dbraw/zinc/23/25/72/572232572.db2.gz	JWIDVMHFERBKOK-JBYIUTFZSA-N	-1	0	500.592	3.335	50	0		KGAARM
CCC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)CC1)C(=O)[O-]	ZINC000245326421	572232403	/nfs/dbraw/zinc/23/24/03/572232403.db2.gz	JWIDVMHFERBKOK-SPEDKVCISA-N	-1	0	500.592	3.335	50	0		KGAARM
CSCC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000245328191	572234811	/nfs/dbraw/zinc/23/48/11/572234811.db2.gz	TXEVBOKTOMFKQV-CADBVGFASA-N	-1	0	501.690	3.171	50	0		KGAARM
CC(C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000245328566	562881559	/nfs/dbraw/zinc/88/15/59/562881559.db2.gz	VFXHRKSJUCVJLQ-ZZTDLJEGSA-N	-1	0	515.651	3.496	50	0		KGAARM
COc1ccc2c(C)c(CC(=O)NC[C@H]3CC[C@H](C(=O)NCCCCCC(=O)[O-])CC3)c(=O)oc2c1	ZINC000245328640	572235255	/nfs/dbraw/zinc/23/52/55/572235255.db2.gz	VULDHLJBXOJOSQ-WGSAOQKQSA-N	-1	0	500.592	3.336	50	0		KGAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(=O)NC[C@H]3CCCO3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1	ZINC000245342965	572236829	/nfs/dbraw/zinc/23/68/29/572236829.db2.gz	AKGMJPSHUFSEAG-JCTONOIOSA-N	-1	0	608.717	3.199	50	0		KGAARM
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COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CCN(c5ccccc5OC)C[C@H]43)C2=O)cc1	ZINC000248127102	572254633	/nfs/dbraw/zinc/25/46/33/572254633.db2.gz	IHVRMAXBNFHSDD-ABYGYWHVSA-N	-1	0	512.566	3.225	50	0		KGAARM
COc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4ccccc4N4CCN(c5ccccc5OC)C[C@H]43)C2=O)cc1	ZINC000248127106	572254595	/nfs/dbraw/zinc/25/45/95/572254595.db2.gz	IHVRMAXBNFHSDD-SVEHJYQDSA-N	-1	0	512.566	3.225	50	0		KGAARM
COc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cccc(F)c4N4CCN(c5ccccc5)C[C@H]43)C2=O)cc1	ZINC000248138216	572255104	/nfs/dbraw/zinc/25/51/04/572255104.db2.gz	ODCOVUAGXLFQDX-FIPFOOKPSA-N	-1	0	500.530	3.355	50	0		KGAARM
COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cccc(F)c4N4CCN(c5ccccc5)C[C@H]43)C2=O)cc1	ZINC000248138218	572255061	/nfs/dbraw/zinc/25/50/61/572255061.db2.gz	ODCOVUAGXLFQDX-NEKDWFFYSA-N	-1	0	500.530	3.355	50	0		KGAARM
COc1ccccc1N1CCN2c3c(F)cccc3C[C@@]3(C(=O)[N-]C(=O)N(c4ccccc4)C3=O)[C@H]2C1	ZINC000248156948	572255971	/nfs/dbraw/zinc/25/59/71/572255971.db2.gz	ZTDURFYZCUGMHA-LXFBAYGMSA-N	-1	0	500.530	3.355	50	0		KGAARM
COc1ccccc1N1CCN2c3c(F)cccc3C[C@]3(C(=O)[N-]C(=O)N(c4ccccc4)C3=O)[C@H]2C1	ZINC000248156950	572255921	/nfs/dbraw/zinc/25/59/21/572255921.db2.gz	ZTDURFYZCUGMHA-QDPGVEIFSA-N	-1	0	500.530	3.355	50	0		KGAARM
CC(C)[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@H]4c3ccc(F)cc3)[C@@H]2C1=O	ZINC000248260588	572257363	/nfs/dbraw/zinc/25/73/63/572257363.db2.gz	WBCREZAIJXHMHW-FQXXIRCGSA-N	-1	0	502.589	3.158	50	0		KGAARM
CC(C)[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@@H]4c3ccc(F)cc3)[C@@H]2C1=O	ZINC000248260589	572257347	/nfs/dbraw/zinc/25/73/47/572257347.db2.gz	WBCREZAIJXHMHW-HWWNOSSNSA-N	-1	0	502.589	3.158	50	0		KGAARM
CC(C)[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@H]4c3ccc(F)cc3)[C@@H]2C1=O	ZINC000248260590	572257320	/nfs/dbraw/zinc/25/73/20/572257320.db2.gz	WBCREZAIJXHMHW-IRLPNBRMSA-N	-1	0	502.589	3.158	50	0		KGAARM
CC(C)[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@@H]4c3ccc(F)cc3)[C@@H]2C1=O	ZINC000248260591	572257316	/nfs/dbraw/zinc/25/73/16/572257316.db2.gz	WBCREZAIJXHMHW-UISAILPVSA-N	-1	0	502.589	3.158	50	0		KGAARM
CC(C)C[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@H]4c3ccc(O)cc3)[C@@H]2C1=O	ZINC000248290894	572257733	/nfs/dbraw/zinc/25/77/33/572257733.db2.gz	SUIFMNJKJSAKKB-AQCKIFKESA-N	-1	0	514.625	3.115	50	0		KGAARM
CC(C)C[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@@H]4c3ccc(O)cc3)[C@@H]2C1=O	ZINC000248290895	572257744	/nfs/dbraw/zinc/25/77/44/572257744.db2.gz	SUIFMNJKJSAKKB-CJYUMRHGSA-N	-1	0	514.625	3.115	50	0		KGAARM
CC(C)C[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@H]4c3ccc(O)cc3)[C@@H]2C1=O	ZINC000248291040	572257847	/nfs/dbraw/zinc/25/78/47/572257847.db2.gz	SUIFMNJKJSAKKB-FJOUVMPTSA-N	-1	0	514.625	3.115	50	0		KGAARM
CC(C)C[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@@H]4c3ccc(O)cc3)[C@@H]2C1=O	ZINC000248291041	572257910	/nfs/dbraw/zinc/25/79/10/572257910.db2.gz	SUIFMNJKJSAKKB-HLXBYIJVSA-N	-1	0	514.625	3.115	50	0		KGAARM
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CC(C)C[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C1=O)[C@@H]1[C@H]3Sc2[nH]c(=O)sc2[C@@H]1c1ccc(N(C)C)cc1	ZINC000251397142	572259376	/nfs/dbraw/zinc/25/93/76/572259376.db2.gz	LDAMWTAAPYPHJT-PCDHIXHISA-N	-1	0	541.695	3.475	50	0		KGAARM
C[C@H](C(=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21	ZINC000251555243	572259572	/nfs/dbraw/zinc/25/95/72/572259572.db2.gz	OVYXRKHJVQFKOT-MNCXUPHISA-N	-1	0	505.162	3.365	50	0		KGAARM
CCc1ccc([C@@H]2CC(c3ccc(OC)cc3)=NN2C2=NC(=O)[C@@H](CC(=O)N[C@H](C)C(=O)[O-])S2)cc1	ZINC000252445434	572261057	/nfs/dbraw/zinc/26/10/57/572261057.db2.gz	AIHVMDXDZWLVQM-KBJGYGKASA-N	-1	0	508.600	3.386	50	0		KGAARM
CCc1ccc([C@@H]2CC(c3ccc(OC)cc3)=NN2C2=NC(=O)[C@H](CC(=O)N[C@H](C)C(=O)[O-])S2)cc1	ZINC000252445435	572261000	/nfs/dbraw/zinc/26/10/00/572261000.db2.gz	AIHVMDXDZWLVQM-YDFBLROQSA-N	-1	0	508.600	3.386	50	0		KGAARM
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CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21	ZINC000252517301	572262275	/nfs/dbraw/zinc/26/22/75/572262275.db2.gz	FDXRYHFSBMERQI-HHHXNRCGSA-N	-1	0	558.612	3.424	50	0		KGAARM
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21	ZINC000252517302	572262295	/nfs/dbraw/zinc/26/22/95/572262295.db2.gz	FDXRYHFSBMERQI-MHZLTWQESA-N	-1	0	558.612	3.424	50	0		KGAARM
CC(C)[C@@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000252571999	572263674	/nfs/dbraw/zinc/26/36/74/572263674.db2.gz	YRUZFCZMMJUAFN-AANQFLQQSA-N	-1	0	516.598	3.004	50	0		KGAARM
CC(C)[C@@H](NC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000252572000	572263698	/nfs/dbraw/zinc/26/36/98/572263698.db2.gz	YRUZFCZMMJUAFN-AGDMDRQQSA-N	-1	0	516.598	3.004	50	0		KGAARM
CC(C)[C@@H](NC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000252572001	572263680	/nfs/dbraw/zinc/26/36/80/572263680.db2.gz	YRUZFCZMMJUAFN-AHCIIZGASA-N	-1	0	516.598	3.004	50	0		KGAARM
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000252666423	572273095	/nfs/dbraw/zinc/27/30/95/572273095.db2.gz	BLLNFNZBROFLQF-RUZDIDTESA-N	-1	0	558.568	3.485	50	0		KGAARM
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000252666424	572273093	/nfs/dbraw/zinc/27/30/93/572273093.db2.gz	BLLNFNZBROFLQF-VWLOTQADSA-N	-1	0	558.568	3.485	50	0		KGAARM
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1	ZINC000252667378	562881762	/nfs/dbraw/zinc/88/17/62/562881762.db2.gz	CXGODKZKOKXDJR-RUZDIDTESA-N	-1	0	536.606	3.049	50	0		KGAARM
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1	ZINC000252667379	562881745	/nfs/dbraw/zinc/88/17/45/562881745.db2.gz	CXGODKZKOKXDJR-VWLOTQADSA-N	-1	0	536.606	3.049	50	0		KGAARM
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C(=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C	ZINC000252668839	572274197	/nfs/dbraw/zinc/27/41/97/572274197.db2.gz	FSIATQUKKDBLDM-HSZRJFAPSA-N	-1	0	506.580	3.284	50	0		KGAARM
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C(=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1OC(C)C	ZINC000252668840	572274214	/nfs/dbraw/zinc/27/42/14/572274214.db2.gz	FSIATQUKKDBLDM-QHCPKHFHSA-N	-1	0	506.580	3.284	50	0		KGAARM
CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCC)=C(C)N=c2sc(=Cc3ccc(OCC(=O)[O-])c(OC)c3)c(=O)n21	ZINC000252669011	572274385	/nfs/dbraw/zinc/27/43/85/572274385.db2.gz	GEJOEPAMWOJERN-AREMUKBSSA-N	-1	0	596.658	3.068	50	0		KGAARM
CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCC)=C(C)N=c2sc(=Cc3ccc(OCC(=O)[O-])c(OC)c3)c(=O)n21	ZINC000252669012	572274437	/nfs/dbraw/zinc/27/44/37/572274437.db2.gz	GEJOEPAMWOJERN-SANMLTNESA-N	-1	0	596.658	3.068	50	0		KGAARM
COC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	ZINC000252670306	572275803	/nfs/dbraw/zinc/27/58/03/572275803.db2.gz	KDJXMXZCOBPFGB-RUZDIDTESA-N	-1	0	560.584	3.384	50	0		KGAARM
COC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	ZINC000252670307	572275910	/nfs/dbraw/zinc/27/59/10/572275910.db2.gz	KDJXMXZCOBPFGB-VWLOTQADSA-N	-1	0	560.584	3.384	50	0		KGAARM
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@@H]1c1cccc(OC)c1	ZINC000252672273	572277738	/nfs/dbraw/zinc/27/77/38/572277738.db2.gz	PTTZTCUDOYALKP-MUUNZHRXSA-N	-1	0	570.623	3.408	50	0		KGAARM
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@H]1c1cccc(OC)c1	ZINC000252672274	572277703	/nfs/dbraw/zinc/27/77/03/572277703.db2.gz	PTTZTCUDOYALKP-NDEPHWFRSA-N	-1	0	570.623	3.408	50	0		KGAARM
COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4cccc(OCC(=O)[O-])c4)c(=O)n32)c1	ZINC000252674276	572278636	/nfs/dbraw/zinc/27/86/36/572278636.db2.gz	RYHPEDXHDIYYDB-HHHXNRCGSA-N	-1	0	555.612	3.346	50	0		KGAARM
COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4cccc(OCC(=O)[O-])c4)c(=O)n32)c1	ZINC000252674277	572278575	/nfs/dbraw/zinc/27/85/75/572278575.db2.gz	RYHPEDXHDIYYDB-MHZLTWQESA-N	-1	0	555.612	3.346	50	0		KGAARM
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cccc(OCC(=O)[O-])c3)c(=O)n2[C@@H]1c1cccc(OC)c1	ZINC000252677423	572280741	/nfs/dbraw/zinc/28/07/41/572280741.db2.gz	YREQMNFPAXIHOT-MUUNZHRXSA-N	-1	0	570.623	3.408	50	0		KGAARM
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cccc(OCC(=O)[O-])c3)c(=O)n2[C@H]1c1cccc(OC)c1	ZINC000252677424	572280737	/nfs/dbraw/zinc/28/07/37/572280737.db2.gz	YREQMNFPAXIHOT-NDEPHWFRSA-N	-1	0	570.623	3.408	50	0		KGAARM
COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4ccc(OCC(=O)[O-])cc4)c(=O)n32)c1	ZINC000252677483	572280846	/nfs/dbraw/zinc/28/08/46/572280846.db2.gz	YXDVIYWBWCGEDY-HHHXNRCGSA-N	-1	0	555.612	3.346	50	0		KGAARM
COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4ccc(OCC(=O)[O-])cc4)c(=O)n32)c1	ZINC000252677484	572280872	/nfs/dbraw/zinc/28/08/72/572280872.db2.gz	YXDVIYWBWCGEDY-MHZLTWQESA-N	-1	0	555.612	3.346	50	0		KGAARM
CC(C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000252693075	572281601	/nfs/dbraw/zinc/28/16/01/572281601.db2.gz	AKWJIVCEZQZNOA-CMOCDZPBSA-N	-1	0	503.640	3.270	50	0		KGAARM
CC(C)[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000252693079	562881786	/nfs/dbraw/zinc/88/17/86/562881786.db2.gz	AKWJIVCEZQZNOA-MYGLTJDJSA-N	-1	0	503.640	3.270	50	0		KGAARM
CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000252693183	572281516	/nfs/dbraw/zinc/28/15/16/572281516.db2.gz	BODJOSHFTARYQU-ZZTDLJEGSA-N	-1	0	513.635	3.347	50	0		KGAARM
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	ZINC000252694339	572281611	/nfs/dbraw/zinc/28/16/11/572281611.db2.gz	JGVLNLDNCBFFKA-PMVMPFDFSA-N	-1	0	515.651	3.368	50	0		KGAARM
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccccc2)CC1	ZINC000252694373	572281663	/nfs/dbraw/zinc/28/16/63/572281663.db2.gz	JVFDMOLZECZGAS-ZIBCJSCZSA-N	-1	0	521.680	3.498	50	0		KGAARM
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](CC(C)C)C(=O)[O-])CC1	ZINC000252694689	572281752	/nfs/dbraw/zinc/28/17/52/572281752.db2.gz	OIAHDQSEULDJQY-CADBVGFASA-N	-1	0	501.690	3.171	50	0		KGAARM
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1	ZINC000252694690	572281757	/nfs/dbraw/zinc/28/17/57/572281757.db2.gz	OIAHDQSEULDJQY-VJANTYMQSA-N	-1	0	501.690	3.171	50	0		KGAARM
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1	ZINC000252694857	562881780	/nfs/dbraw/zinc/88/17/80/562881780.db2.gz	QWBDJCDPDXGPLW-CMOCDZPBSA-N	-1	0	503.640	3.270	50	0		KGAARM
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1	ZINC000252694858	562881776	/nfs/dbraw/zinc/88/17/76/562881776.db2.gz	QWBDJCDPDXGPLW-MYGLTJDJSA-N	-1	0	503.640	3.270	50	0		KGAARM
CSCC[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000252695019	572281809	/nfs/dbraw/zinc/28/18/09/572281809.db2.gz	TXEVBOKTOMFKQV-MKXGPGLRSA-N	-1	0	501.690	3.171	50	0		KGAARM
CSCC[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000252695020	572281799	/nfs/dbraw/zinc/28/17/99/572281799.db2.gz	TXEVBOKTOMFKQV-NCXUSEDFSA-N	-1	0	501.690	3.171	50	0		KGAARM
CSCC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000252695021	572281822	/nfs/dbraw/zinc/28/18/22/572281822.db2.gz	TXEVBOKTOMFKQV-VJANTYMQSA-N	-1	0	501.690	3.171	50	0		KGAARM
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1	ZINC000252695128	572281913	/nfs/dbraw/zinc/28/19/13/572281913.db2.gz	VKAGXPJDNNXJEH-CMOCDZPBSA-N	-1	0	501.624	3.121	50	0		KGAARM
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1	ZINC000252695219	562881772	/nfs/dbraw/zinc/88/17/72/562881772.db2.gz	WNFZWORUPBCQOV-CMOCDZPBSA-N	-1	0	535.707	3.368	50	0		KGAARM
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC[C@H](C(=O)N2CCC[C@H]2C(=O)[O-])CC1	ZINC000252695253	572281890	/nfs/dbraw/zinc/28/18/90/572281890.db2.gz	XECYIWLLQYXKTA-CMOCDZPBSA-N	-1	0	501.624	3.121	50	0		KGAARM
CC[C@@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000252695273	572281912	/nfs/dbraw/zinc/28/19/12/572281912.db2.gz	XNDZYQFGEBMYMB-QQXKLLMISA-N	-1	0	501.690	3.171	50	0		KGAARM
CC[C@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000252695274	572281888	/nfs/dbraw/zinc/28/18/88/572281888.db2.gz	XNDZYQFGEBMYMB-VMXHOPILSA-N	-1	0	501.690	3.171	50	0		KGAARM
CSCC[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000252695367	572281892	/nfs/dbraw/zinc/28/18/92/572281892.db2.gz	YWTJKDAHNKCVMH-CMOCDZPBSA-N	-1	0	535.707	3.368	50	0		KGAARM
CSCC[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000252695368	572281882	/nfs/dbraw/zinc/28/18/82/572281882.db2.gz	YWTJKDAHNKCVMH-YSFYHYPLSA-N	-1	0	535.707	3.368	50	0		KGAARM
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](CCSC)C(=O)[O-])CC1	ZINC000252695387	572281901	/nfs/dbraw/zinc/28/19/01/572281901.db2.gz	ZGCNXNXIDVOLGB-FKSLSLAPSA-N	-1	0	501.690	3.171	50	0		KGAARM
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](CCSC)C(=O)[O-])CC1	ZINC000252695388	572282018	/nfs/dbraw/zinc/28/20/18/572282018.db2.gz	ZGCNXNXIDVOLGB-NNIGNNQHSA-N	-1	0	501.690	3.171	50	0		KGAARM
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCSC)C(=O)[O-])CC1	ZINC000252695389	572281997	/nfs/dbraw/zinc/28/19/97/572281997.db2.gz	ZGCNXNXIDVOLGB-QQXKLLMISA-N	-1	0	501.690	3.171	50	0		KGAARM
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCSC)C(=O)[O-])CC1	ZINC000252695390	572282031	/nfs/dbraw/zinc/28/20/31/572282031.db2.gz	ZGCNXNXIDVOLGB-VMXHOPILSA-N	-1	0	501.690	3.171	50	0		KGAARM
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCCCC(=O)[O-])c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000253395199	572283718	/nfs/dbraw/zinc/28/37/18/572283718.db2.gz	AICNYQJAIVZQEK-NRFANRHFSA-N	-1	0	555.628	3.036	50	0		KGAARM
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N3CCC(C(=O)[O-])CC3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000253402712	572285539	/nfs/dbraw/zinc/28/55/39/572285539.db2.gz	GQAIQSOGYFGBPL-QHCPKHFHSA-N	-1	0	581.666	3.378	50	0		KGAARM
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NCCCC(=O)[O-])c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000253405927	572286222	/nfs/dbraw/zinc/28/62/22/572286222.db2.gz	IOXSYZRUZRGVNA-GMAHTHKFSA-N	-1	0	601.722	3.378	50	0		KGAARM
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCCC(=O)[O-])c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000253409529	572287201	/nfs/dbraw/zinc/28/72/01/572287201.db2.gz	LYJKOECEZSJPSE-QFIPXVFZSA-N	-1	0	569.655	3.426	50	0		KGAARM
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000253409935	572287327	/nfs/dbraw/zinc/28/73/27/572287327.db2.gz	MPTGKFCKBVZPBD-SQOVJYTMSA-N	-1	0	603.672	3.476	50	0		KGAARM
CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NCCC(=O)[O-]	ZINC000253411515	572287486	/nfs/dbraw/zinc/28/74/86/572287486.db2.gz	OSCBZJPKCSNMKE-PQXCKQOFSA-N	-1	0	569.655	3.281	50	0		KGAARM
CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000253412341	572287907	/nfs/dbraw/zinc/28/79/07/572287907.db2.gz	QRDHMMYWAXJDPI-KIDDEBEHSA-N	-1	0	569.655	3.279	50	0		KGAARM
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000253412951	572288256	/nfs/dbraw/zinc/28/82/56/572288256.db2.gz	SOSBOUYDCQWMCN-IDISGSTGSA-N	-1	0	569.655	3.281	50	0		KGAARM
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N[C@@H](CCSC)C(=O)[O-])c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000253413433	572288527	/nfs/dbraw/zinc/28/85/27/572288527.db2.gz	UTUFMSZTWWBEBA-GMAHTHKFSA-N	-1	0	601.722	3.378	50	0		KGAARM
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NCC(=O)[O-])c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000253413880	572288664	/nfs/dbraw/zinc/28/86/64/572288664.db2.gz	VXHDLQLPYROCIP-NRFANRHFSA-N	-1	0	555.628	3.036	50	0		KGAARM
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)N[C@@H](C)C(=O)[O-])c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000253414208	572288829	/nfs/dbraw/zinc/28/88/29/572288829.db2.gz	WUCOFTIWHPDPQZ-JTSKRJEESA-N	-1	0	569.655	3.425	50	0		KGAARM
CC[C@@H](C)[C@H](NC(=O)[C@H](C)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)[O-]	ZINC000253414302	572288907	/nfs/dbraw/zinc/28/89/07/572288907.db2.gz	XAIMRQJRAHWSLF-BIJPZOJXSA-N	-1	0	569.655	3.279	50	0		KGAARM
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000253414315	572288915	/nfs/dbraw/zinc/28/89/15/572288915.db2.gz	XBLUKUSXVRIKSP-ZCYQVOJMSA-N	-1	0	589.645	3.087	50	0		KGAARM
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NCCCC(=O)[O-])C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000253414402	572288869	/nfs/dbraw/zinc/28/88/69/572288869.db2.gz	XKCDLVBYMDOCMB-IDISGSTGSA-N	-1	0	569.655	3.281	50	0		KGAARM
COc1ccc(CCNC(=O)C[C@H](c2cc(OC)c3c(c2OC)OCO3)c2c([O-])cc(C)oc2=O)cc1	ZINC000253471684	572289785	/nfs/dbraw/zinc/28/97/85/572289785.db2.gz	XIBAZQZUYJLCDY-GOSISDBHSA-N	-1	0	511.527	3.289	50	0		KGAARM
COc1ccc(CCNC(=O)C[C@@H](c2cc(OC)c3c(c2OC)OCO3)c2c([O-])cc(C)oc2=O)cc1	ZINC000253471685	572289749	/nfs/dbraw/zinc/28/97/49/572289749.db2.gz	XIBAZQZUYJLCDY-SFHVURJKSA-N	-1	0	511.527	3.289	50	0		KGAARM
CC(=O)OC[C@@H]1O[C@H](Oc2cc([O-])c3c(c2)occ(-c2ccc(Cl)cc2)c3=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000253497411	572292118	/nfs/dbraw/zinc/29/21/18/572292118.db2.gz	RXIOQRJGJTYZPF-BTRWLOMLSA-N	-1	0	618.975	3.281	50	0		KGAARM
CC(=O)OC[C@@H]1O[C@@H](Oc2cc([O-])c3c(c2)occ(-c2ccc(Cl)cc2)c3=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000253497412	572292149	/nfs/dbraw/zinc/29/21/49/572292149.db2.gz	RXIOQRJGJTYZPF-FEBBAWHISA-N	-1	0	618.975	3.281	50	0		KGAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	ZINC000253498042	572292251	/nfs/dbraw/zinc/29/22/51/572292251.db2.gz	XVQKDXYRBZICOZ-ZLNRFVROSA-N	-1	0	533.610	3.002	50	0		KGAARM
Cc1ccc(C(=O)OC[C@@H]2O[C@H](n3ncc(=O)[n-]c3=O)[C@@H](OC(=O)c3ccc(C)cc3)[C@H]2OC(=O)c2ccc(C)cc2)cc1	ZINC000253529403	572297936	/nfs/dbraw/zinc/29/79/36/572297936.db2.gz	ZRSOSQMNRACOLI-VNNZRSTGSA-N	-1	0	599.596	3.475	50	0		KGAARM
Cc1ccc(C(=O)OC[C@@H]2O[C@H](n3ncc(=O)[n-]c3=O)[C@H](OC(=O)c3ccc(C)cc3)[C@@H]2OC(=O)c2ccc(C)cc2)cc1	ZINC000253529404	572297949	/nfs/dbraw/zinc/29/79/49/572297949.db2.gz	ZRSOSQMNRACOLI-VWEWBFCZSA-N	-1	0	599.596	3.475	50	0		KGAARM
Cc1ccc(C(=O)OC[C@@H]2O[C@H](n3ncc(=O)[n-]c3=O)[C@H](OC(=O)c3ccc(C)cc3)[C@H]2OC(=O)c2ccc(C)cc2)cc1	ZINC000253529405	572297947	/nfs/dbraw/zinc/29/79/47/572297947.db2.gz	ZRSOSQMNRACOLI-WOHWVRMTSA-N	-1	0	599.596	3.475	50	0		KGAARM
N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cc(Br)c([O-])c(Br)c2)c(=O)n1-c1ccccc1	ZINC000254449883	1060010563	/nfs/dbraw/zinc/01/05/63/1060010563.db2.gz	VAJRQMKJUSURPU-UHFFFAOYSA-N	-1	0	575.282	3.255	50	0		KGAARM
COc1ccc(C(=O)NN=Cc2cc(I)cc(I)c2[O-])cc1	ZINC000254767072	1060015442	/nfs/dbraw/zinc/01/54/42/1060015442.db2.gz	SYXXEYPNVGAULY-UHFFFAOYSA-N	-1	0	522.080	3.374	50	0		KGAARM
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N=NCc1cc(Br)cc(Br)c1[O-]	ZINC000254832789	1060016990	/nfs/dbraw/zinc/01/69/90/1060016990.db2.gz	NVZFXLDYLKGDOQ-UHFFFAOYSA-N	-1	0	564.212	3.292	50	0		KGAARM
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N=NCc1cc(Br)c([O-])c(Br)c1	ZINC000254873008	1060018578	/nfs/dbraw/zinc/01/85/78/1060018578.db2.gz	ACVIWTMUASCNMT-UHFFFAOYSA-N	-1	0	564.212	3.292	50	0		KGAARM
O=S(=O)(c1ccc(NC(=S)NN=Cc2cc(Br)cc(Br)c2[O-])cc1)N1CCOCC1	ZINC000254873712	1060018717	/nfs/dbraw/zinc/01/87/17/1060018717.db2.gz	OGRFAJYIVRCVLF-UHFFFAOYSA-N	-1	0	578.308	3.259	50	0		KGAARM
CC(C)(C)OC(=O)N[C@H]1CCCCCC=C[C@@H]2C[C@@]2(C(=O)[N-]S(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O	ZINC000257362266	1059557002	/nfs/dbraw/zinc/55/70/02/1059557002.db2.gz	ZVTDLPBHTSMEJZ-OBKPAHBMSA-N	-1	0	731.844	3.144	50	0		KGAARM
O=C(O[C@H]1O[C@H](Cn2nnc3c2c(=O)[nH][n-]c3=O)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000261493212	572111914	/nfs/dbraw/zinc/11/19/14/572111914.db2.gz	FHSZWCRULMWGHI-BERLERAGSA-N	-1	0	731.674	3.067	50	0		KGAARM
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)[O-])c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000263585198	572116981	/nfs/dbraw/zinc/11/69/81/572116981.db2.gz	GGHLNLJFKXWCKG-YROCYRMSSA-N	-1	0	569.655	3.279	50	0		KGAARM
COc1ccc([C@H](CC(=O)N[C@@H]2CCc3ccccc3NC2=O)c2c([O-])cc(C)oc2=O)c(OC)c1OC	ZINC000263585518	572118776	/nfs/dbraw/zinc/11/87/76/572118776.db2.gz	JPYBZNQEFRFUNG-AZUAARDMSA-N	-1	0	522.554	3.271	50	0		KGAARM
COc1ccc([C@H](CC(=O)N[C@H]2CCc3ccccc3NC2=O)c2c([O-])cc(C)oc2=O)c(OC)c1OC	ZINC000263585519	572118831	/nfs/dbraw/zinc/11/88/31/572118831.db2.gz	JPYBZNQEFRFUNG-ICSRJNTNSA-N	-1	0	522.554	3.271	50	0		KGAARM
COc1ccc([C@@H](CC(=O)N[C@H]2CCc3ccccc3NC2=O)c2c([O-])cc(C)oc2=O)c(OC)c1OC	ZINC000263585520	572118897	/nfs/dbraw/zinc/11/88/97/572118897.db2.gz	JPYBZNQEFRFUNG-QUCCMNQESA-N	-1	0	522.554	3.271	50	0		KGAARM
COc1ccc([C@@H](CC(=O)N[C@@H]2CCc3ccccc3NC2=O)c2c([O-])cc(C)oc2=O)c(OC)c1OC	ZINC000263585521	572118673	/nfs/dbraw/zinc/11/86/73/572118673.db2.gz	JPYBZNQEFRFUNG-UYAOXDASSA-N	-1	0	522.554	3.271	50	0		KGAARM
COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccc(OCC(N)=O)c(OC)c3)CC(=O)O4)c2=O)cc1OC	ZINC000263585922	572121132	/nfs/dbraw/zinc/12/11/32/572121132.db2.gz	NXMOPZANADEPBX-INIZCTEOSA-N	-1	0	547.516	3.497	50	0		KGAARM
COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3ccc(OCC(N)=O)c(OC)c3)CC(=O)O4)c2=O)cc1OC	ZINC000263585923	572121186	/nfs/dbraw/zinc/12/11/86/572121186.db2.gz	NXMOPZANADEPBX-MRXNPFEDSA-N	-1	0	547.516	3.497	50	0		KGAARM
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)NCCC(=O)[O-])c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000263586117	572122237	/nfs/dbraw/zinc/12/22/37/572122237.db2.gz	QKVXPSGSJRXTRY-GMAHTHKFSA-N	-1	0	569.655	3.281	50	0		KGAARM
COc1ccc(C(=O)CNC(=O)C[C@@H](c2ccc(OC)c(OC)c2OC)c2c([O-])cc(C)oc2=O)cc1	ZINC000263586317	572122463	/nfs/dbraw/zinc/12/24/63/572122463.db2.gz	SOTZINUAGGIIDW-IBGZPJMESA-N	-1	0	511.527	3.209	50	0		KGAARM
COc1ccc(C(=O)CNC(=O)C[C@H](c2ccc(OC)c(OC)c2OC)c2c([O-])cc(C)oc2=O)cc1	ZINC000263586318	572123174	/nfs/dbraw/zinc/12/31/74/572123174.db2.gz	SOTZINUAGGIIDW-LJQANCHMSA-N	-1	0	511.527	3.209	50	0		KGAARM
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NCCCCCC(=O)[O-])c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000263586894	572125954	/nfs/dbraw/zinc/12/59/54/572125954.db2.gz	ZIXGSUNDDWIXDT-NRFANRHFSA-N	-1	0	555.628	3.036	50	0		KGAARM
Cc1c(C)[n+]([O-])c([C@@H](c2cccc(OC(F)F)c2)c2c([O-])n(C)c(=O)n(C)c2=O)n1Cc1ccccc1	ZINC000263587961	572126454	/nfs/dbraw/zinc/12/64/54/572126454.db2.gz	NNTQSAJTEIIESW-FQEVSTJZSA-N	-1	0	512.513	3.187	50	0		KGAARM
Cc1c(C)[n+]([O-])c([C@H](c2cccc(OC(F)F)c2)c2c([O-])n(C)c(=O)n(C)c2=O)n1Cc1ccccc1	ZINC000263587962	572126525	/nfs/dbraw/zinc/12/65/25/572126525.db2.gz	NNTQSAJTEIIESW-HXUWFJFHSA-N	-1	0	512.513	3.187	50	0		KGAARM
COc1ccc([C@@H](CC(=O)NCCn2cnc3ccccc32)c2c([O-])cc(C)oc2=O)c(OC)c1OC	ZINC000263588265	572126553	/nfs/dbraw/zinc/12/65/53/572126553.db2.gz	QYVDMXGALSTQPW-GOSISDBHSA-N	-1	0	507.543	3.368	50	0		KGAARM
COc1ccc([C@H](CC(=O)NCCn2cnc3ccccc32)c2c([O-])cc(C)oc2=O)c(OC)c1OC	ZINC000263588266	572126396	/nfs/dbraw/zinc/12/63/96/572126396.db2.gz	QYVDMXGALSTQPW-SFHVURJKSA-N	-1	0	507.543	3.368	50	0		KGAARM
COc1ccc([C@H](CC(=O)NCc2nc3ccccc3n2C)c2c([O-])cc(C)oc2=O)c(OC)c1OC	ZINC000263588270	572126461	/nfs/dbraw/zinc/12/64/61/572126461.db2.gz	QZMDJJXLFJTFHG-KRWDZBQOSA-N	-1	0	507.543	3.405	50	0		KGAARM
COc1ccc([C@@H](CC(=O)NCc2nc3ccccc3n2C)c2c([O-])cc(C)oc2=O)c(OC)c1OC	ZINC000263588271	572126357	/nfs/dbraw/zinc/12/63/57/572126357.db2.gz	QZMDJJXLFJTFHG-QGZVFWFLSA-N	-1	0	507.543	3.405	50	0		KGAARM
COc1ccc([C@H](CC(=O)NC[C@@H]2COc3ccccc3O2)c2c([O-])cc(C)oc2=O)c(OC)c1OC	ZINC000263588376	572126471	/nfs/dbraw/zinc/12/64/71/572126471.db2.gz	SQGAHIOAINDGMP-AEFFLSMTSA-N	-1	0	511.527	3.158	50	0		KGAARM
COc1ccc([C@@H](CC(=O)NC[C@H]2COc3ccccc3O2)c2c([O-])cc(C)oc2=O)c(OC)c1OC	ZINC000263588377	572126326	/nfs/dbraw/zinc/12/63/26/572126326.db2.gz	SQGAHIOAINDGMP-FUHWJXTLSA-N	-1	0	511.527	3.158	50	0		KGAARM
COc1ccc([C@@H](CC(=O)NC[C@@H]2COc3ccccc3O2)c2c([O-])cc(C)oc2=O)c(OC)c1OC	ZINC000263588378	572126604	/nfs/dbraw/zinc/12/66/04/572126604.db2.gz	SQGAHIOAINDGMP-SJLPKXTDSA-N	-1	0	511.527	3.158	50	0		KGAARM
COc1ccc([C@H](CC(=O)NC[C@H]2COc3ccccc3O2)c2c([O-])cc(C)oc2=O)c(OC)c1OC	ZINC000263588379	572126334	/nfs/dbraw/zinc/12/63/34/572126334.db2.gz	SQGAHIOAINDGMP-WMZOPIPTSA-N	-1	0	511.527	3.158	50	0		KGAARM
Cc1c(C)[n+]([O-])c([C@@H](c2cc(F)c(F)c(F)c2)c2c([O-])n(C)c(=O)n(C)c2=O)n1Cc1ccccc1	ZINC000263588605	572126594	/nfs/dbraw/zinc/12/65/94/572126594.db2.gz	WDCZNPONXGWTTL-IBGZPJMESA-N	-1	0	500.477	3.002	50	0		KGAARM
Cc1c(C)[n+]([O-])c([C@H](c2cc(F)c(F)c(F)c2)c2c([O-])n(C)c(=O)n(C)c2=O)n1Cc1ccccc1	ZINC000263588606	572126572	/nfs/dbraw/zinc/12/65/72/572126572.db2.gz	WDCZNPONXGWTTL-LJQANCHMSA-N	-1	0	500.477	3.002	50	0		KGAARM
COc1ccc([C@H](CC(=O)Nc2ccc(N(C)C)c(C(N)=O)c2)c2c([O-])cc(C)oc2=O)c(OC)c1OC	ZINC000409415410	1059009372	/nfs/dbraw/zinc/00/93/72/1059009372.db2.gz	GOSRBGDIYOYVOI-KRWDZBQOSA-N	-1	0	525.558	3.005	50	0		KGAARM
COc1ccc([C@@H](CC(=O)Nc2ccc(N(C)C)c(C(N)=O)c2)c2c([O-])cc(C)oc2=O)c(OC)c1OC	ZINC000409415411	1059009206	/nfs/dbraw/zinc/00/92/06/1059009206.db2.gz	GOSRBGDIYOYVOI-QGZVFWFLSA-N	-1	0	525.558	3.005	50	0		KGAARM
COc1ccc(NC(=O)C[C@@H](c2ccc(OC)c(OC)c2OC)c2c([O-])cc(C)oc2=O)cc1-c1nn[nH]n1	ZINC000524729612	1059012458	/nfs/dbraw/zinc/01/24/58/1059012458.db2.gz	AJXCJIYOZSYUCT-INIZCTEOSA-N	-1	0	537.529	3.029	50	0		KGAARM
COc1ccc(NC(=O)C[C@H](c2ccc(OC)c(OC)c2OC)c2c([O-])cc(C)oc2=O)cc1-c1nn[nH]n1	ZINC000524729613	1059011193	/nfs/dbraw/zinc/01/11/93/1059011193.db2.gz	AJXCJIYOZSYUCT-MRXNPFEDSA-N	-1	0	537.529	3.029	50	0		KGAARM
COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c([O-])c([C@@H]2OCc3cnc(C)c(O)c32)cc(C(C)=O)c1O	ZINC000524729762	1059011628	/nfs/dbraw/zinc/01/16/28/1059011628.db2.gz	IQYIGNPKWPCSTH-JMQGSBJISA-N	-1	0	547.564	3.214	50	0		KGAARM
COC(=O)C[C@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c([O-])c([C@H]2OCc3cnc(C)c(O)c32)cc(C(C)=O)c1O	ZINC000524729763	1059012411	/nfs/dbraw/zinc/01/24/11/1059012411.db2.gz	IQYIGNPKWPCSTH-KWMCUTETSA-N	-1	0	547.564	3.214	50	0		KGAARM
COC(=O)C[C@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c([O-])c([C@@H]2OCc3cnc(C)c(O)c32)cc(C(C)=O)c1O	ZINC000524729764	1059012200	/nfs/dbraw/zinc/01/22/00/1059012200.db2.gz	IQYIGNPKWPCSTH-WRHNGFHOSA-N	-1	0	547.564	3.214	50	0		KGAARM
COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c([O-])c([C@H]2OCc3cnc(C)c(O)c32)cc(C(C)=O)c1O	ZINC000524729765	1059012155	/nfs/dbraw/zinc/01/21/55/1059012155.db2.gz	IQYIGNPKWPCSTH-XDBZFTIUSA-N	-1	0	547.564	3.214	50	0		KGAARM
COc1ccc([C@H](CC(=O)Nc2ccc(CCc3nn[nH]n3)cc2)c2c([O-])cc(C)oc2=O)c(OC)c1OC	ZINC000524732159	1059015874	/nfs/dbraw/zinc/01/58/74/1059015874.db2.gz	ZPLYGORVKMZGJA-IBGZPJMESA-N	-1	0	535.557	3.139	50	0		KGAARM
COc1ccc([C@@H](CC(=O)Nc2ccc(CCc3nn[nH]n3)cc2)c2c([O-])cc(C)oc2=O)c(OC)c1OC	ZINC000524732160	1059015949	/nfs/dbraw/zinc/01/59/49/1059015949.db2.gz	ZPLYGORVKMZGJA-LJQANCHMSA-N	-1	0	535.557	3.139	50	0		KGAARM
CC(=O)N1CCC(CN2CCn3cc(C(=O)NCc4cccc(C(=O)[O-])c4)nc3[C@H]2c2ccccc2)CC1	ZINC000675014402	1059085550	/nfs/dbraw/zinc/08/55/50/1059085550.db2.gz	GUJAQMYPJKZILO-AREMUKBSSA-N	-1	0	515.614	3.175	50	0		KGAARM
CC(=O)N1CCC(CN2CCn3cc(C(=O)NCc4cccc(C(=O)[O-])c4)nc3[C@@H]2c2ccccc2)CC1	ZINC000675014403	1059085394	/nfs/dbraw/zinc/08/53/94/1059085394.db2.gz	GUJAQMYPJKZILO-SANMLTNESA-N	-1	0	515.614	3.175	50	0		KGAARM
O=C([O-])c1cccc(CCNC(=O)c2cn3c(n2)[C@@H](c2ccccc2)N(C(=O)Cc2cccnc2)CC3)c1	ZINC000675015898	1059085803	/nfs/dbraw/zinc/08/58/03/1059085803.db2.gz	UOSFILMLYYSXDC-AREMUKBSSA-N	-1	0	509.566	3.123	50	0		KGAARM
O=C([O-])c1cccc(CCNC(=O)c2cn3c(n2)[C@H](c2ccccc2)N(C(=O)Cc2cccnc2)CC3)c1	ZINC000675015924	1059085868	/nfs/dbraw/zinc/08/58/68/1059085868.db2.gz	UOSFILMLYYSXDC-SANMLTNESA-N	-1	0	509.566	3.123	50	0		KGAARM
Cc1ncc(C(=O)NCCc2cccc(C(=O)[O-])c2)c(C2CCN(C(=O)COc3ccccc3)CC2)n1	ZINC000675017941	1059085466	/nfs/dbraw/zinc/08/54/66/1059085466.db2.gz	QNFNTJVQYAFFMJ-UHFFFAOYSA-N	-1	0	502.571	3.241	50	0		KGAARM
COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1ccc(OCC(=O)[O-])c(OC)c1	ZINC000888089058	1059126039	/nfs/dbraw/zinc/12/60/39/1059126039.db2.gz	GEJZNWPFJHQPBU-IBURMAGPSA-N	-1	0	668.055	3.311	50	0		KGAARM
COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1ccc(OCC(=O)[O-])c(OC)c1	ZINC000888089059	1059126074	/nfs/dbraw/zinc/12/60/74/1059126074.db2.gz	GEJZNWPFJHQPBU-PPQRUJIESA-N	-1	0	668.055	3.311	50	0		KGAARM
COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C2=C(C[C@@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1ccc(OCC(=O)[O-])c(OC)c1	ZINC000888089060	1059125985	/nfs/dbraw/zinc/12/59/85/1059125985.db2.gz	GEJZNWPFJHQPBU-RKKJYCAKSA-N	-1	0	668.055	3.311	50	0		KGAARM
COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1ccc(OCC(=O)[O-])c(OC)c1	ZINC000888089061	1059126049	/nfs/dbraw/zinc/12/60/49/1059126049.db2.gz	GEJZNWPFJHQPBU-XERWKDHVSA-N	-1	0	668.055	3.311	50	0		KGAARM
COc1ccc(NC(=O)C[C@@H](c2ccc(OC)c(OC)c2OC)c2c(=O)cc(C)oc2[O-])cc1-c1nn[nH]n1	ZINC000888089471	1059127912	/nfs/dbraw/zinc/12/79/12/1059127912.db2.gz	FWIOJQAGWYFFFG-INIZCTEOSA-N	-1	0	537.529	3.029	50	0		KGAARM
COc1ccc(NC(=O)C[C@H](c2ccc(OC)c(OC)c2OC)c2c(=O)cc(C)oc2[O-])cc1-c1nn[nH]n1	ZINC000888089472	1059127819	/nfs/dbraw/zinc/12/78/19/1059127819.db2.gz	FWIOJQAGWYFFFG-MRXNPFEDSA-N	-1	0	537.529	3.029	50	0		KGAARM
COc1ccc([C@H](CC(=O)Nc2ccc(CCc3nn[nH]n3)cc2)c2c(=O)cc(C)oc2[O-])c(OC)c1OC	ZINC000888090400	1059131776	/nfs/dbraw/zinc/13/17/76/1059131776.db2.gz	WSVHGOYQNXDYMT-IBGZPJMESA-N	-1	0	535.557	3.139	50	0		KGAARM
COc1ccc([C@@H](CC(=O)Nc2ccc(CCc3nn[nH]n3)cc2)c2c(=O)cc(C)oc2[O-])c(OC)c1OC	ZINC000888090401	1059131697	/nfs/dbraw/zinc/13/16/97/1059131697.db2.gz	WSVHGOYQNXDYMT-LJQANCHMSA-N	-1	0	535.557	3.139	50	0		KGAARM
Cc1nc(CC(=O)N2CCC3(Cc4cccc(c4)Oc4ccc(cc4)C[C@@H](C(=O)[O-])NC(=O)CCNC3=O)CC2)cs1	ZINC000952855867	1059582178	/nfs/dbraw/zinc/58/21/78/1059582178.db2.gz	JJUFCQVUCBDNFA-SANMLTNESA-N	-1	0	590.702	3.270	50	0		KGAARM
CSCCC(=O)N1CCC2(Cc3cccc(c3)Oc3ccc(cc3)C[C@@H](C(=O)[O-])NC(=O)CCNC2=O)CC1	ZINC000952856132	1059584070	/nfs/dbraw/zinc/58/40/70/1059584070.db2.gz	MLGNZGGLXNNLMH-DEOSSOPVSA-N	-1	0	553.681	3.015	50	0		KGAARM
CCn1ncc(C(=O)N2CCC3(Cc4cccc(c4)Oc4ccc(cc4)C[C@@H](C(=O)[O-])NC(=O)CCNC3=O)CC2)c1C	ZINC000952856452	1059585761	/nfs/dbraw/zinc/58/57/61/1059585761.db2.gz	ISUHQPFTMBLPJF-MHZLTWQESA-N	-1	0	587.677	3.101	50	0		KGAARM
CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)[O-])NC1=O	ZINC000952856735	1059586908	/nfs/dbraw/zinc/58/69/08/1059586908.db2.gz	QEKFANWIHPQPHR-VJGNERBWSA-N	-1	0	543.620	3.476	50	0		KGAARM
O=C([O-])[C@@H]1Cc2ccc(cc2)Oc2cccc(c2)CC2(CCN(C(=O)CCc3cccnc3)CC2)C(=O)NCCC(=O)N1	ZINC000952856777	1059587504	/nfs/dbraw/zinc/58/75/04/1059587504.db2.gz	QUXXKAABVOZSPN-NDEPHWFRSA-N	-1	0	584.673	3.290	50	0		KGAARM
CCc1ccc(C(=O)N2CCC3(Cc4cccc(c4)Oc4ccc(cc4)C[C@@H](C(=O)[O-])NC(=O)CCNC3=O)CC2)[nH]1	ZINC000952856815	1059588261	/nfs/dbraw/zinc/58/82/61/1059588261.db2.gz	SEHJPQMFAUDCOL-MHZLTWQESA-N	-1	0	572.662	3.466	50	0		KGAARM
O=C([O-])[C@@H]1Cc2ccc(cc2)Oc2cccc(c2)CC2(CCN(C(=O)c3noc4c3CCCC4)CC2)C(=O)NCCC(=O)N1	ZINC000952857007	1059589300	/nfs/dbraw/zinc/58/93/00/1059589300.db2.gz	GJBACCLFVZLNLH-SANMLTNESA-N	-1	0	600.672	3.443	50	0		KGAARM
CCCc1cc(C(=O)N2CCC3(Cc4cccc(c4)Oc4ccc(cc4)C[C@@H](C(=O)[O-])NC(=O)CCNC3=O)CC2)n(C)n1	ZINC000952862289	1059600985	/nfs/dbraw/zinc/60/09/85/1059600985.db2.gz	KYHCAEYUIFFZAM-MHZLTWQESA-N	-1	0	601.704	3.262	50	0		KGAARM
COCC1(C(=O)N2CCC3(Cc4cccc(c4)Oc4ccc(cc4)C[C@@H](C(=O)[O-])NC(=O)CCNC3=O)CC2)CCC1	ZINC000952862679	1059605177	/nfs/dbraw/zinc/60/51/77/1059605177.db2.gz	QEYXEJBDRBRTMJ-SANMLTNESA-N	-1	0	577.678	3.079	50	0		KGAARM
O=C([O-])c1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)c3ccccc3)C[C@@H]1OCc1cccc(c1)O2	ZINC000952863041	1059608011	/nfs/dbraw/zinc/60/80/11/1059608011.db2.gz	RBNBNIJFVWDMIU-UIOOFZCWSA-N	-1	0	543.576	3.227	50	0		KGAARM
CCn1ccc(CN2CCC3(Cc4cccc(c4)Oc4ccc(cc4)C[C@@H](C(=O)[O-])NC(=O)CCNC3=O)CC2)n1	ZINC000952863055	1059609364	/nfs/dbraw/zinc/60/93/64/1059609364.db2.gz	RNQLNOLYBKJWKG-MHZLTWQESA-N	-1	0	559.667	3.152	50	0		KGAARM
O=C([O-])[C@@H]1Cc2ccc(cc2)Oc2cccc(c2)CC2(CCN(C(=O)C3CCCC3)CC2)C(=O)NCCC(=O)N1	ZINC000952863195	1059610230	/nfs/dbraw/zinc/61/02/30/1059610230.db2.gz	GYFRKOMKPBBFDS-SANMLTNESA-N	-1	0	547.652	3.452	50	0		KGAARM
COCCCN1CC(=O)N[C@H]2CN(Cc3c[nH]nc3C(=O)[O-])CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1	ZINC000952863590	1059581656	/nfs/dbraw/zinc/58/16/56/1059581656.db2.gz	BBQXXKVKUDZDOI-IZZNHLLZSA-N	-1	0	593.681	3.037	50	0		KGAARM
O=C([O-])[C@@H]1Cc2ccc(cc2)Oc2cccc(c2)CC2(CCN(C(=O)C3CCC3)CC2)C(=O)NCCC(=O)N1	ZINC000952864573	1059628337	/nfs/dbraw/zinc/62/83/37/1059628337.db2.gz	KGXDZDGULUUXQS-VWLOTQADSA-N	-1	0	533.625	3.062	50	0		KGAARM
CN(C)c1ncccc1C(=O)N1CCC2(Cc3cccc(c3)Oc3ccc(cc3)C[C@@H](C(=O)[O-])NC(=O)CCNC2=O)CC1	ZINC000952864748	1059630034	/nfs/dbraw/zinc/63/00/34/1059630034.db2.gz	OSGYATVUULWZDH-MHZLTWQESA-N	-1	0	599.688	3.037	50	0		KGAARM
O=C([O-])[C@@H]1Cc2ccc(cc2)Oc2cccc(c2)CC2(CCN(C(=O)c3cnc4c(c3)CCC4)CC2)C(=O)NCCC(=O)N1	ZINC000952865026	1059632906	/nfs/dbraw/zinc/63/29/06/1059632906.db2.gz	LRJVRHXCXWIXSL-LJAQVGFWSA-N	-1	0	596.684	3.460	50	0		KGAARM
CCCn1ncc(C(=O)N2CCC3(Cc4cccc(c4)Oc4ccc(cc4)C[C@@H](C(=O)[O-])NC(=O)CCNC3=O)CC2)c1C	ZINC000952865142	1059633979	/nfs/dbraw/zinc/63/39/79/1059633979.db2.gz	NPOFVPOKQUKTOU-NDEPHWFRSA-N	-1	0	601.704	3.491	50	0		KGAARM
COCCN1CC(=O)N[C@H]2CN(Cc3cccc(C(=O)[O-])c3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O	ZINC000952865771	1059641197	/nfs/dbraw/zinc/64/11/97/1059641197.db2.gz	SKUXIOCWISXYEY-IZEXYCQBSA-N	-1	0	617.699	3.493	50	0		KGAARM
O=C([O-])c1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(Cc3cscn3)C[C@@H]1OCc1cccc(c1)O2	ZINC000952866010	1059644117	/nfs/dbraw/zinc/64/41/17/1059644117.db2.gz	WIOIFGURTDLRAD-ZEQRLZLVSA-N	-1	0	536.610	3.043	50	0		KGAARM
O=C([O-])[C@@H]1Cc2ccc(cc2)Oc2cccc(c2)CC2(CCN(C(=O)CC3CCC3)CC2)C(=O)NCCC(=O)N1	ZINC000952869185	1059616729	/nfs/dbraw/zinc/61/67/29/1059616729.db2.gz	YHMGALYVQMQBET-SANMLTNESA-N	-1	0	547.652	3.452	50	0		KGAARM
O=C([O-])c1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(c3ncccc3C(=O)N3CCCC3)C[C@@H]1OCc1cccc(c1)O2	ZINC000952977536	1059648426	/nfs/dbraw/zinc/64/84/26/1059648426.db2.gz	UDLKUHREESPISD-NSOVKSMOSA-N	-1	0	613.671	3.222	50	0		KGAARM