smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Br	ZINC000013358508	205886766	/nfs/dbraw/zinc/88/67/66/205886766.db2.gz	HIYPWEPCPRBUSD-UHFFFAOYSA-N	-2	3	386.223	2.957	50	0		GFAAHL
CCCCn1c([O-])c([C@@H]2NCCc3cc(OC)c(OC)cc32)c(=O)[n-]c1=S	ZINC000020267484	570250687	/nfs/dbraw/zinc/25/06/87/570250687.db2.gz	DPIWXDVLBXDSCF-MRXNPFEDSA-N	-2	3	391.493	2.664	50	0		GFAAHL
Cc1nc(NC(=O)[N-]S(=O)(=O)c2ccccc2)[n-]c(=O)c1Cc1ccccc1	ZINC000013407909	570754432	/nfs/dbraw/zinc/75/44/32/570754432.db2.gz	DMHJAGGWJKJHDB-UHFFFAOYSA-N	-2	3	398.444	2.592	50	0		GFAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4cccc(SC)c4)c(=O)c2=3)c1	ZINC000101277753	570900690	/nfs/dbraw/zinc/90/06/90/570900690.db2.gz	XLAXDXANAMJCNV-DLBZAZTESA-N	-2	3	398.444	2.924	50	0		GFAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)c1	ZINC000023126627	570909912	/nfs/dbraw/zinc/90/99/12/570909912.db2.gz	SPRBHJYLYALAMD-RTBURBONSA-N	-2	3	392.415	2.690	50	0		GFAAHL
Cc1ccc(S(=O)(=O)[N-]c2nn[n-]c2C(=O)Nc2ccc(C)c(C)c2)cc1	ZINC000004497834	204048654	/nfs/dbraw/zinc/04/86/54/204048654.db2.gz	WITFFIFLNAEJMI-UHFFFAOYSA-N	-2	3	385.449	2.783	50	0		GFAAHL
CCc1c([O-])nc(SCC(=O)Nc2nc3ccc(C)cc3s2)[n-]c1=O	ZINC000009191412	204302109	/nfs/dbraw/zinc/30/21/09/204302109.db2.gz	JBRCWKICTHBJLJ-UHFFFAOYSA-N	-2	3	376.463	2.687	50	0		GFAAHL
Cc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3c(ccn3CC(=O)N(C)C)c2)c1	ZINC000050533302	205131169	/nfs/dbraw/zinc/13/11/69/205131169.db2.gz	SQAGSOVGRULHEK-UHFFFAOYSA-N	-2	3	387.461	2.544	50	0		GFAAHL
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3[O-])cc2)n1	ZINC000000947984	570734657	/nfs/dbraw/zinc/73/46/57/570734657.db2.gz	GBTFLXNNSRLSAA-UHFFFAOYSA-N	-2	3	398.444	2.852	50	0		GFAAHL
Cc1ccc(-n2c([O-])c([C@@H]3OCc4cnc(C)c(O)c43)c(=O)[n-]c2=S)cc1	ZINC000002146253	570836390	/nfs/dbraw/zinc/83/63/90/570836390.db2.gz	BCQKLBNVTRWDCM-MRXNPFEDSA-N	-2	3	383.429	2.938	50	0		GFAAHL
Cc1ccc(-n2c([O-])c([C@@H]3OCc4cnc(C)c([O-])c43)c(=O)[n-]c2=S)cc1	ZINC000002146253	570836391	/nfs/dbraw/zinc/83/63/91/570836391.db2.gz	BCQKLBNVTRWDCM-MRXNPFEDSA-N	-3	3	383.429	2.938	50	0		GFAAHL
CCN(CC)C(=O)Cc1ccc([N-]S(=O)(=O)c2cc(C)ccc2[O-])cc1	ZINC000057117565	205154743	/nfs/dbraw/zinc/15/47/43/205154743.db2.gz	NBORPUFADKFNFM-UHFFFAOYSA-N	-2	3	376.478	2.912	50	0		GFAAHL
O=C(c1ccc([O-])c(Cl)c1)N1CCc2c(=O)[n-]c(-c3ccccc3)nc2C1	ZINC000071388754	205283179	/nfs/dbraw/zinc/28/31/79/205283179.db2.gz	MLADPXYCYHIDRM-UHFFFAOYSA-N	-2	3	381.819	2.994	50	0		GFAAHL
CCCn1cc([C@H]2CC(c3c([O-])[n-]c(=O)sc3=O)=Nc3ccccc3N2)cn1	ZINC000071785021	205296510	/nfs/dbraw/zinc/29/65/10/205296510.db2.gz	WPUGFHSAHUMSNN-CQSZACIVSA-N	-2	3	397.460	2.786	50	0		GFAAHL
CCCCn1c([O-])c(C2=NN[C@H](c3ccc(O)c(OC)c3)C2)c(=O)[n-]c1=S	ZINC000015834774	570271374	/nfs/dbraw/zinc/27/13/74/570271374.db2.gz	GQUWSKJFDYYWPB-NSHDSACASA-N	-2	3	390.465	2.564	50	0		GFAAHL
Cc1c([O-])ccc2c(C)c(CCC(=O)NCCCCCC(=O)[O-])c(=O)oc12	ZINC000002102255	570942098	/nfs/dbraw/zinc/94/20/98/570942098.db2.gz	RQFNAYWPMHJGMI-UHFFFAOYSA-N	-2	3	375.421	2.809	50	0		GFAAHL
CCOc1cc(C=C2SC(=O)[N-]C2=O)cc(I)c1[O-]	ZINC000004698956	204065334	/nfs/dbraw/zinc/06/53/34/204065334.db2.gz	HMEQAFYESHJWSZ-WEVVVXLNSA-N	-2	3	391.186	2.719	50	0		GFAAHL
O=C([O-])[C@H]1CC2(CN1Cc1ccc([O-])c(Cl)c1)CCN(C(=O)C1CC1)CC2	ZINC000072412004	205347756	/nfs/dbraw/zinc/34/77/56/205347756.db2.gz	LMECMQZKBYSOMP-MRXNPFEDSA-N	-2	3	392.883	2.723	50	0		GFAAHL
Cc1cc(Br)cc(C)c1NC(=O)CSc1nc([O-])cc(=O)[n-]1	ZINC000016475222	551111612	/nfs/dbraw/zinc/11/16/12/551111612.db2.gz	VBNVLGWGYSPAEI-UHFFFAOYSA-N	-2	3	384.255	2.586	50	0		GFAAHL
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCC(=O)[O-])cc2)cc1C	ZINC000000677094	570216459	/nfs/dbraw/zinc/21/64/59/570216459.db2.gz	XFNNSLVUUZITOF-UHFFFAOYSA-N	-2	3	376.434	2.908	50	0		GFAAHL
O=C([O-])Cn1cc([C@H](C(=O)[O-])N2CCN(c3ccccc3)CC2)c2ccccc21	ZINC000036360964	205014647	/nfs/dbraw/zinc/01/46/47/205014647.db2.gz	XACDJJJZONNMEW-OAQYLSRUSA-N	-2	3	393.443	2.674	50	0		GFAAHL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2)ccc1N1CCSCC1	ZINC000058358229	136155310	/nfs/dbraw/zinc/15/53/10/136155310.db2.gz	ARMVTANYBAXIOD-UHFFFAOYSA-N	-2	3	378.475	2.739	50	0		GFAAHL
COc1cc(OC)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(C)c(F)c4)c=3c2=O)c1	ZINC000102819716	570865942	/nfs/dbraw/zinc/86/59/42/570865942.db2.gz	KPDSLVOUPNFQGY-IRXDYDNUSA-N	-2	3	384.367	2.649	50	0		GFAAHL
Cc1c([O-])ccc2c(C)c(CCC(=O)N[C@@H](C(=O)[O-])c3ccccc3)c(=O)oc12	ZINC000002107340	570948764	/nfs/dbraw/zinc/94/87/64/570948764.db2.gz	VGKHXNSUOACOBC-LJQANCHMSA-N	-2	3	395.411	2.990	50	0		GFAAHL
O=C([O-])[C@@H]1CS[C@@H](c2cc(Br)c([O-])c(Br)c2)N1	ZINC000004547561	204052046	/nfs/dbraw/zinc/05/20/46/204052046.db2.gz	YSXSRLZSKXDLNH-CBAPKCEASA-N	-2	3	383.061	2.705	50	0		GFAAHL
O=C([O-])[C@H]1CS[C@H](c2cc(Br)c([O-])c(Br)c2)N1	ZINC000004547565	204052103	/nfs/dbraw/zinc/05/21/03/204052103.db2.gz	YSXSRLZSKXDLNH-VXNVDRBHSA-N	-2	3	383.061	2.705	50	0		GFAAHL
O=C([O-])[C@H]1CS[C@@H](c2cc(Br)c([O-])c(Br)c2)N1	ZINC000004547571	204052131	/nfs/dbraw/zinc/05/21/31/204052131.db2.gz	YSXSRLZSKXDLNH-APPZFPTMSA-N	-2	3	383.061	2.705	50	0		GFAAHL
COc1ccccc1OC1(C(=O)[O-])CCN(Cc2ccccc2C(=O)[O-])CC1	ZINC000082120060	205387497	/nfs/dbraw/zinc/38/74/97/205387497.db2.gz	GARPLDPBKMNLIB-UHFFFAOYSA-N	-2	3	385.416	2.892	50	0		GFAAHL
CCc1ccc([C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)N(C)C)cc1	ZINC000013309922	551108897	/nfs/dbraw/zinc/10/88/97/551108897.db2.gz	LXAYWFJXOAZETI-HNNXBMFYSA-N	-2	3	382.507	2.590	50	0		GFAAHL
COC(=O)c1[n-]n(-c2ccccc2C)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000100909417	570278915	/nfs/dbraw/zinc/27/89/15/570278915.db2.gz	OAQUZBGICZJULB-NVXWUHKLSA-N	-2	3	397.818	2.556	50	0		GFAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)c1	ZINC000101262589	570818019	/nfs/dbraw/zinc/81/80/19/570818019.db2.gz	SPRBHJYLYALAMD-MOPGFXCFSA-N	-2	3	392.415	2.690	50	0		GFAAHL
Cc1ccc(-c2cc(C(=O)[N-]N3C(=O)N[C@](C)(c4ccccc4)C3=O)n[n-]2)s1	ZINC000012544670	570845558	/nfs/dbraw/zinc/84/55/58/570845558.db2.gz	BADOYUDAZXHNGX-LJQANCHMSA-N	-2	3	395.444	2.559	50	0		GFAAHL
COC(=O)c1[n-]n(-c2ccc(C)cc2)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000103891304	570889953	/nfs/dbraw/zinc/88/99/53/570889953.db2.gz	DQJCYEDLMBWMFG-NVXWUHKLSA-N	-2	3	397.818	2.556	50	0		GFAAHL
CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)ccc1F	ZINC000045946530	205100963	/nfs/dbraw/zinc/10/09/63/205100963.db2.gz	ODBBCQUJWAHYJT-UHFFFAOYSA-N	-2	3	380.397	2.900	50	0		GFAAHL
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([O-])cc3)cc2)n1	ZINC000001174024	570253708	/nfs/dbraw/zinc/25/37/08/570253708.db2.gz	ZNJKOKZLPNVQBZ-UHFFFAOYSA-N	-2	3	398.444	2.852	50	0		GFAAHL
CC(C)(C[N-]C(=O)C(Cl)(Cl)Cl)C[N-]C(=O)C(Cl)(Cl)Cl	ZINC000002100317	570274597	/nfs/dbraw/zinc/27/45/97/570274597.db2.gz	SVSDLUAFGLOLIS-UHFFFAOYSA-N	-2	3	392.925	2.985	50	0		GFAAHL
COC(=O)c1[n-]n(-c2ccccc2C)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000100909422	570278930	/nfs/dbraw/zinc/27/89/30/570278930.db2.gz	OAQUZBGICZJULB-WBVHZDCISA-N	-2	3	397.818	2.556	50	0		GFAAHL
COc1cc(OC)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(C)c(F)c4)c=3c2=O)c1	ZINC000102819715	570865856	/nfs/dbraw/zinc/86/58/56/570865856.db2.gz	KPDSLVOUPNFQGY-DLBZAZTESA-N	-2	3	384.367	2.649	50	0		GFAAHL
C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2C(=O)[O-])C[C@H](C)O1	ZINC000004297031	204036907	/nfs/dbraw/zinc/03/69/07/204036907.db2.gz	WRAPDKKJWYYHSI-KBPBESRZSA-N	-2	3	390.461	2.799	50	0		GFAAHL
COc1cc(OC)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(Cl)cc4)c=3c2=O)c1	ZINC000023125751	204797506	/nfs/dbraw/zinc/79/75/06/204797506.db2.gz	JPSSDIFFXCRXLR-HZPDHXFCSA-N	-2	3	386.795	2.855	50	0		GFAAHL
CC(C)n1c(CCNC(=O)c2ccc(Br)cc2[O-])n[n-]c1=S	ZINC000084633019	205397153	/nfs/dbraw/zinc/39/71/53/205397153.db2.gz	IXPNQDWSAXUVDN-UHFFFAOYSA-N	-2	3	385.287	2.962	50	0		GFAAHL
COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)CSC)c1	ZINC000022699248	551118414	/nfs/dbraw/zinc/11/84/14/551118414.db2.gz	RWHUJPWHKVMRDZ-UHFFFAOYSA-N	-2	3	382.463	2.503	50	0		GFAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4ccc(C)c(F)c4)c(=O)c2=3)c1	ZINC000101260380	570817539	/nfs/dbraw/zinc/81/75/39/570817539.db2.gz	XYLVGSUPRTWEDO-IRXDYDNUSA-N	-2	3	384.367	2.649	50	0		GFAAHL
COc1c2occc2c(OC)c(C2=NO[C@]([O-])(C(F)(F)C(F)F)C2)c1[O-]	ZINC000001416775	209116356	/nfs/dbraw/zinc/11/63/56/209116356.db2.gz	IHUIZCOUGXUUDB-AWEZNQCLSA-N	-2	3	379.262	2.869	50	0		GFAAHL
Cc1c([O-])ccc2c(C)c(CC(=O)NCC3CCC(C(=O)[O-])CC3)c(=O)oc12	ZINC000002153966	525879726	/nfs/dbraw/zinc/87/97/26/525879726.db2.gz	PZFDIYSDWSIGAU-UHFFFAOYSA-N	-2	3	387.432	2.665	50	0		GFAAHL
COC(=O)c1[n-]n(-c2ccccc2)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000005177968	570494415	/nfs/dbraw/zinc/49/44/15/570494415.db2.gz	JIOWDABCXAKUTG-WBVHZDCISA-N	-2	3	397.818	2.556	50	0		GFAAHL
COc1ccc(C2=NN(c3nc(C(=O)[O-])cs3)[C@]([O-])(C(F)(F)F)C2)cc1	ZINC000005244313	209122764	/nfs/dbraw/zinc/12/27/64/209122764.db2.gz	UPMXIGWXQKVXHL-CQSZACIVSA-N	-2	3	387.339	2.715	50	0		GFAAHL
Cc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cc(F)ccc3F)c2)n1	ZINC000047328418	570953645	/nfs/dbraw/zinc/95/36/45/570953645.db2.gz	HZNXASYZLQYEQW-UHFFFAOYSA-N	-2	3	377.372	2.824	50	0		GFAAHL
COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c(=O)[n-]c(=S)n(C2CC2)c1[O-]	ZINC000009358587	206322502	/nfs/dbraw/zinc/32/25/02/206322502.db2.gz	ORPMCKAUIJLIMF-INIZCTEOSA-N	-2	3	384.461	2.671	50	0		GFAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)c1	ZINC000101260806	208388948	/nfs/dbraw/zinc/38/89/48/208388948.db2.gz	WDQZGRMUVKQWMB-MSOLQXFVSA-N	-2	3	380.404	2.818	50	0		GFAAHL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1N1CCSCC1	ZINC000058366766	136155277	/nfs/dbraw/zinc/15/52/77/136155277.db2.gz	NFSVBOHDUDUPQT-UHFFFAOYSA-N	-2	3	396.465	2.878	50	0		GFAAHL
O=C([O-])c1csc(S(=O)(=O)[N-]C[C@H](c2ccccc2)N2CCCC2)c1	ZINC000237963714	553084744	/nfs/dbraw/zinc/08/47/44/553084744.db2.gz	MGHINBRASYHTNI-OAHLLOKOSA-N	-2	3	380.491	2.562	50	0		GFAAHL
COc1cccc(-n2c([O-])c([C@@H]3NCCc4ccccc43)c(=O)[n-]c2=S)c1	ZINC000017196532	207086446	/nfs/dbraw/zinc/08/64/46/207086446.db2.gz	AXLUQHVWBIKZJT-QGZVFWFLSA-N	-2	3	381.457	2.844	50	0		GFAAHL
CC(C)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2c1ccccc1OCC(=O)[O-]	ZINC000095476799	208193164	/nfs/dbraw/zinc/19/31/64/208193164.db2.gz	JMFJETDIJPUBEL-OAHLLOKOSA-N	-2	3	377.422	2.645	50	0		GFAAHL
CCc1ccc(-n2c(=O)c3[n-][n-]n(-c4cc(OC)cc(OC)c4)c=3c2=O)cc1	ZINC000101260529	208390301	/nfs/dbraw/zinc/39/03/01/208390301.db2.gz	JMQMQHGWAQCANR-MSOLQXFVSA-N	-2	3	380.404	2.764	50	0		GFAAHL
COc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)cc1	ZINC000004841252	551094761	/nfs/dbraw/zinc/09/47/61/551094761.db2.gz	GSXCMCSXYUOQMI-UHFFFAOYSA-N	-2	3	386.223	2.957	50	0		GFAAHL
O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc2c1OCCO2	ZINC000057116411	654800969	/nfs/dbraw/zinc/80/09/69/654800969.db2.gz	FATHKBXVOHCEIS-UHFFFAOYSA-N	-2	3	387.772	2.749	50	0		GFAAHL
COc1ccccc1-n1c([O-])c([C@H]2NCCc3ccccc32)c(=O)[n-]c1=S	ZINC000017197314	207086455	/nfs/dbraw/zinc/08/64/55/207086455.db2.gz	VERGXPPEFDEVPB-KRWDZBQOSA-N	-2	3	381.457	2.844	50	0		GFAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)cc1C(=O)[O-]	ZINC000042122942	600541107	/nfs/dbraw/zinc/54/11/07/600541107.db2.gz	QUVBOVGXFICGKI-UHFFFAOYSA-N	-2	3	392.433	2.789	50	0		GFAAHL
COc1cc(OC)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(C)c(C)c4)c=3c2=O)c1	ZINC000023125752	207270555	/nfs/dbraw/zinc/27/05/55/207270555.db2.gz	PSHHJFGMIIAYME-MSOLQXFVSA-N	-2	3	380.404	2.818	50	0		GFAAHL
CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3ccccc3)c(=O)c1-2	ZINC000100224949	208374368	/nfs/dbraw/zinc/37/43/68/208374368.db2.gz	ZCPNQXMNRGZWCC-NVXWUHKLSA-N	-2	3	397.818	2.637	50	0		GFAAHL
CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c([O-])n(-c3ccccc3)c(=O)c1-2	ZINC000100224949	208374374	/nfs/dbraw/zinc/37/43/74/208374374.db2.gz	ZCPNQXMNRGZWCC-NVXWUHKLSA-N	-2	3	397.818	2.637	50	0		GFAAHL
CC(=O)N1N=C(c2c(=O)[n-]c(=S)n(C)c2[O-])C[C@H]1c1ccc(C(C)C)cc1	ZINC000101764463	208398434	/nfs/dbraw/zinc/39/84/34/208398434.db2.gz	POUZVIFGFATEQF-HNNXBMFYSA-N	-2	3	386.477	2.969	50	0		GFAAHL
CO[N-]C(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1	ZINC000008768060	221057209	/nfs/dbraw/zinc/05/72/09/221057209.db2.gz	OQYWDHPCNXNEFO-SNVBAGLBSA-N	-2	3	375.475	2.951	50	0		GFAAHL
CCN(CCN(C)C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1	ZINC000033253976	570861849	/nfs/dbraw/zinc/86/18/49/570861849.db2.gz	AWXHYZVCGBGJAW-UHFFFAOYSA-N	-2	3	391.493	2.574	50	0		GFAAHL
COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1	ZINC000012738186	570979600	/nfs/dbraw/zinc/97/96/00/570979600.db2.gz	ANFAPYJOHRHQPN-UHFFFAOYSA-N	-2	3	383.809	2.934	50	0		GFAAHL
CCOCCc1c([O-])nc(SCC(=O)Nc2ccc(C(C)C)cc2)[n-]c1=O	ZINC000013957227	207005990	/nfs/dbraw/zinc/00/59/90/207005990.db2.gz	RTQFCPGHTFVXSL-UHFFFAOYSA-N	-2	3	391.493	2.909	50	0		GFAAHL
COc1ccc(-n2c([O-])c([C@H]3NCCc4ccccc43)c(=O)[n-]c2=S)cc1	ZINC000020171184	207181199	/nfs/dbraw/zinc/18/11/99/207181199.db2.gz	PQSFMUKMNJXSHQ-KRWDZBQOSA-N	-2	3	381.457	2.844	50	0		GFAAHL
Cc1ccc([N-]S(=O)(=O)c2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2)cc1C	ZINC000032081022	207390176	/nfs/dbraw/zinc/39/01/76/207390176.db2.gz	NBCJXTFBWPARED-CQSZACIVSA-N	-2	3	388.445	2.542	50	0		GFAAHL
Cc1cc(C)[n-]c(=N[N-]S(=O)(=O)c2ccc(Br)cc2Cl)n1	ZINC000006315561	551098892	/nfs/dbraw/zinc/09/88/92/551098892.db2.gz	MCXOVPOWLQXPON-UHFFFAOYSA-N	-2	3	391.678	2.815	50	0		GFAAHL
CCn1nc(C)c([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2C(=O)[O-])c1C	ZINC000670441490	565724277	/nfs/dbraw/zinc/72/42/77/565724277.db2.gz	ZWYKGVULVODLMP-MRVPVSSYSA-N	-2	3	391.902	2.972	50	0		GFAAHL
CC[C@@H](C)n1c([O-])c([C@H]2NCCc3cc(OC)c(OC)cc32)c(=O)[n-]c1=S	ZINC000100747926	570439123	/nfs/dbraw/zinc/43/91/23/570439123.db2.gz	HHYFLAYINTXGAI-HWPZZCPQSA-N	-2	3	391.493	2.835	50	0		GFAAHL
COc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(Cl)cc4)c=3c2=O)cc1OC	ZINC000033114675	570812831	/nfs/dbraw/zinc/81/28/31/570812831.db2.gz	CIRAHGWUCDKOPO-HZPDHXFCSA-N	-2	3	386.795	2.855	50	0		GFAAHL
COc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(C)c(F)c4)c=3c2=O)cc1OC	ZINC000033274049	570949509	/nfs/dbraw/zinc/94/95/09/570949509.db2.gz	OIFCTHPZOAEFMR-IAGOWNOFSA-N	-2	3	384.367	2.649	50	0		GFAAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCC(=O)[O-])cc2)cc1	ZINC000000674231	206316038	/nfs/dbraw/zinc/31/60/38/206316038.db2.gz	XGMBPVWRFOHEDW-UHFFFAOYSA-N	-2	3	392.433	2.689	50	0		GFAAHL
COC(=O)c1[n-]n(-c2ccccc2)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000101112310	208388565	/nfs/dbraw/zinc/38/85/65/208388565.db2.gz	JIOWDABCXAKUTG-NVXWUHKLSA-N	-2	3	397.818	2.556	50	0		GFAAHL
CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3ccccc3)c(=O)c1-2	ZINC000100224953	208374072	/nfs/dbraw/zinc/37/40/72/208374072.db2.gz	ZCPNQXMNRGZWCC-RDJZCZTQSA-N	-2	3	397.818	2.637	50	0		GFAAHL
CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c([O-])n(-c3ccccc3)c(=O)c1-2	ZINC000100224953	208374077	/nfs/dbraw/zinc/37/40/77/208374077.db2.gz	ZCPNQXMNRGZWCC-RDJZCZTQSA-N	-2	3	397.818	2.637	50	0		GFAAHL
O=C([O-])c1cccc(-c2ccc(C=N[N-]C(=O)c3ccc([N+](=O)[O-])cn3)o2)c1	ZINC000012436730	570675349	/nfs/dbraw/zinc/67/53/49/570675349.db2.gz	JBNCXCFLLLZPIV-UHFFFAOYSA-N	-2	3	380.316	2.712	50	0		GFAAHL
COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)c(Cl)cc2OC)ccc1[O-]	ZINC000036392693	570677139	/nfs/dbraw/zinc/67/71/39/570677139.db2.gz	NXOJCHOQMOMIDH-UHFFFAOYSA-N	-2	3	385.825	2.950	50	0		GFAAHL
Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/C(=O)[O-])cc2)c(C)c1	ZINC000002986646	570323374	/nfs/dbraw/zinc/32/33/74/570323374.db2.gz	WGVQQWMVKFQCFA-CMDGGOBGSA-N	-2	3	388.445	2.992	50	0		GFAAHL
Cc1c([O-])ccc2c(C)c(CCC(=O)N[C@H](CC(C)C)C(=O)[O-])c(=O)oc12	ZINC000011865552	570440935	/nfs/dbraw/zinc/44/09/35/570440935.db2.gz	XZPIZMLYRLBCTP-OAHLLOKOSA-N	-2	3	375.421	2.664	50	0		GFAAHL
O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(-n3cccn3)c(F)c2)c1	ZINC000078814921	570509605	/nfs/dbraw/zinc/50/96/05/570509605.db2.gz	QDVQPDDBOOMDMW-UHFFFAOYSA-N	-2	3	379.344	2.650	50	0		GFAAHL
Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccccc2Br)c1	ZINC000065550796	570833391	/nfs/dbraw/zinc/83/33/91/570833391.db2.gz	WTGIRUZVKPLDKV-UHFFFAOYSA-N	-2	3	386.223	2.962	50	0		GFAAHL
Cc1ccc(-c2cc(C(=O)[N-]N3C(=O)N[C@@](C)(c4ccccc4)C3=O)n[n-]2)s1	ZINC000012544669	570845447	/nfs/dbraw/zinc/84/54/47/570845447.db2.gz	BADOYUDAZXHNGX-IBGZPJMESA-N	-2	3	395.444	2.559	50	0		GFAAHL
O=C(CSC1=NC(=O)C(Cc2ccc(F)cc2)C([O-])=N1)c1cccc([O-])c1	ZINC000033429053	209181662	/nfs/dbraw/zinc/18/16/62/209181662.db2.gz	HLRDVCMCGDNTTG-UHFFFAOYSA-N	-2	3	386.404	2.886	50	0		GFAAHL
COC(=O)c1[n-]n(-c2ccccc2)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000101112300	533270618	/nfs/dbraw/zinc/27/06/18/533270618.db2.gz	JIOWDABCXAKUTG-RDJZCZTQSA-N	-2	3	397.818	2.556	50	0		GFAAHL
Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(F)c1	ZINC000048382874	570250012	/nfs/dbraw/zinc/25/00/12/570250012.db2.gz	LHBTUSJPJRQEOW-UHFFFAOYSA-N	-2	3	394.424	2.939	50	0		GFAAHL
CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2	ZINC000036833129	570818842	/nfs/dbraw/zinc/81/88/42/570818842.db2.gz	JLQBMUJABLSPQD-UHFFFAOYSA-N	-2	3	380.491	2.738	50	0		GFAAHL
COC(=O)c1[n-]n(-c2ccccc2C)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000017952642	210212199	/nfs/dbraw/zinc/21/21/99/210212199.db2.gz	OAQUZBGICZJULB-DOTOQJQBSA-N	-2	3	397.818	2.556	50	0		GFAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4cccc(SC)c4)c(=O)c2=3)c1	ZINC000101277755	211395783	/nfs/dbraw/zinc/39/57/83/211395783.db2.gz	XLAXDXANAMJCNV-IRXDYDNUSA-N	-2	3	398.444	2.924	50	0		GFAAHL
CCCCn1c([O-])c(C2=NN[C@@H](c3ccc(O)c(OC)c3)C2)c(=O)[n-]c1=S	ZINC000015834771	570271349	/nfs/dbraw/zinc/27/13/49/570271349.db2.gz	GQUWSKJFDYYWPB-LLVKDONJSA-N	-2	3	390.465	2.564	50	0		GFAAHL
Cn1c2ccccc2c([C@H](C(=O)[O-])N2CCN(c3ccccc3)CC2)c1C(=O)[O-]	ZINC000036360301	570642268	/nfs/dbraw/zinc/64/22/68/570642268.db2.gz	JJWYJNZMOAMZHJ-HXUWFJFHSA-N	-2	3	393.443	2.824	50	0		GFAAHL
CC(=O)N1N=C(c2c(=O)[n-]c(=S)n(C)c2[O-])C[C@@H]1c1ccc(C(C)C)cc1	ZINC000101764465	570833330	/nfs/dbraw/zinc/83/33/30/570833330.db2.gz	POUZVIFGFATEQF-OAHLLOKOSA-N	-2	3	386.477	2.969	50	0		GFAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2C(=O)[O-])c(C)c1	ZINC000013317498	210057501	/nfs/dbraw/zinc/05/75/01/210057501.db2.gz	CQFGSAMFKBGRCY-UHFFFAOYSA-N	-2	3	390.461	2.639	50	0		GFAAHL
CC[C@H](C)[C@@H](NC(=O)CCc1c(C)c2ccc([O-])c(C)c2oc1=O)C(=O)[O-]	ZINC000011865553	570440870	/nfs/dbraw/zinc/44/08/70/570440870.db2.gz	BMUZWICCRQHOTG-DYZYQPBXSA-N	-2	3	375.421	2.664	50	0		GFAAHL
O=C([O-])Cn1cc([C@@H](C(=O)[O-])N2CCN(c3ccccc3)CC2)c2ccccc21	ZINC000036360963	570643671	/nfs/dbraw/zinc/64/36/71/570643671.db2.gz	XACDJJJZONNMEW-NRFANRHFSA-N	-2	3	393.443	2.674	50	0		GFAAHL
Cc1c([O-])ccc2c(C)c(CCC(=O)NC3(C(=O)[O-])CCCCC3)c(=O)oc12	ZINC000002105425	570948176	/nfs/dbraw/zinc/94/81/76/570948176.db2.gz	YZIPRXZMDZUQFN-UHFFFAOYSA-N	-2	3	387.432	2.952	50	0		GFAAHL
Cc1cc([N-]C(=O)c2cc(S(=O)(=O)[N-]c3cc(C)ccn3)cs2)no1	ZINC000016650741	570994226	/nfs/dbraw/zinc/99/42/26/570994226.db2.gz	POZDUVICJBEUCC-UHFFFAOYSA-N	-2	3	378.435	2.801	50	0		GFAAHL
CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2C(=O)[O-])cc1	ZINC000013317553	210057272	/nfs/dbraw/zinc/05/72/72/210057272.db2.gz	UPVBENCXZZCPDQ-UHFFFAOYSA-N	-2	3	390.461	2.585	50	0		GFAAHL
COC(=O)c1[n-]n(-c2ccccc2C)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000100909429	211392062	/nfs/dbraw/zinc/39/20/62/211392062.db2.gz	OAQUZBGICZJULB-RDJZCZTQSA-N	-2	3	397.818	2.556	50	0		GFAAHL
Cc1ccccc1[C@H](CC(=O)NCCc1nc([O-])cc(=O)[n-]1)c1ccccc1	ZINC000095517406	211264942	/nfs/dbraw/zinc/26/49/42/211264942.db2.gz	CHJPHGUXIXHLLS-GOSISDBHSA-N	-2	3	377.444	2.665	50	0		GFAAHL
COc1ccc(-n2c([O-])c([C@@H]3NCCc4ccccc43)c(=O)[n-]c2=S)cc1	ZINC000020171183	210320620	/nfs/dbraw/zinc/32/06/20/210320620.db2.gz	PQSFMUKMNJXSHQ-QGZVFWFLSA-N	-2	3	381.457	2.844	50	0		GFAAHL
O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCc3ccccc32)c(Br)o1	ZINC000238204490	553086936	/nfs/dbraw/zinc/08/69/36/553086936.db2.gz	DMPJAGZAQAKVNK-SNVBAGLBSA-N	-2	3	386.223	2.706	50	0		GFAAHL
O=C([O-])CCCNC(=O)COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1	ZINC000012297102	570295029	/nfs/dbraw/zinc/29/50/29/570295029.db2.gz	AZGZBRGHUHFKAS-UHFFFAOYSA-N	-2	3	397.383	2.525	50	0		GFAAHL
Cc1c([O-])ccc2c(C)c(CC(=O)N[C@@H](C(=O)[O-])c3ccccc3)c(=O)oc12	ZINC000002101586	570942547	/nfs/dbraw/zinc/94/25/47/570942547.db2.gz	ZGWLUQXBQKFZEQ-GOSISDBHSA-N	-2	3	381.384	2.600	50	0		GFAAHL
CCOC(=O)c1[n-]n(-c2ccccc2)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000100563720	211388636	/nfs/dbraw/zinc/38/86/36/211388636.db2.gz	QMSRKXOPQMMKMS-NVXWUHKLSA-N	-2	3	397.818	2.637	50	0		GFAAHL
COc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(C)c(F)c4)c=3c2=O)cc1OC	ZINC000102820617	570865881	/nfs/dbraw/zinc/86/58/81/570865881.db2.gz	OIFCTHPZOAEFMR-IRXDYDNUSA-N	-2	3	384.367	2.649	50	0		GFAAHL
Cc1cc(C)c(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCO3)c(C)c1	ZINC000013090206	210049274	/nfs/dbraw/zinc/04/92/74/210049274.db2.gz	KXEOMNOYRWGXDU-UHFFFAOYSA-N	-2	3	377.418	2.882	50	0		GFAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)c1	ZINC000101260807	211397082	/nfs/dbraw/zinc/39/70/82/211397082.db2.gz	WDQZGRMUVKQWMB-ZWKOTPCHSA-N	-2	3	380.404	2.818	50	0		GFAAHL
COc1cc(OC)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(C)c(C)c4)c=3c2=O)c1	ZINC000101260828	211396636	/nfs/dbraw/zinc/39/66/36/211396636.db2.gz	PSHHJFGMIIAYME-QZTJIDSGSA-N	-2	3	380.404	2.818	50	0		GFAAHL
CCOC(=O)c1[n-]n(-c2ccccc2)c2c([O-])n(-c3ccccc3Cl)c(=O)c1-2	ZINC000100563690	211388625	/nfs/dbraw/zinc/38/86/25/211388625.db2.gz	HSVKCNAZNOMLDI-NVXWUHKLSA-N	-2	3	397.818	2.637	50	0		GFAAHL
Cc1ccccc1[C@@H](CC(=O)NCCc1nc([O-])cc(=O)[n-]1)c1ccccc1	ZINC000095517405	211264580	/nfs/dbraw/zinc/26/45/80/211264580.db2.gz	CHJPHGUXIXHLLS-SFHVURJKSA-N	-2	3	377.444	2.665	50	0		GFAAHL
O=C([O-])[C@H](c1c[nH]c2ccc(Br)cc21)N1CCC(C(=O)[O-])CC1	ZINC000020722818	210357106	/nfs/dbraw/zinc/35/71/06/210357106.db2.gz	QJVABMADZQATDM-AWEZNQCLSA-N	-2	3	381.226	2.853	50	0		GFAAHL
O=C(CCCCCN1C(=O)c2ccccc2C1=O)[N-]C(=O)c1ccccc1[O-]	ZINC000003028176	570528606	/nfs/dbraw/zinc/52/86/06/570528606.db2.gz	KQKARYDNLOZKIK-UHFFFAOYSA-N	-2	3	380.400	2.505	50	0		GFAAHL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCCO2	ZINC000013278732	570838751	/nfs/dbraw/zinc/83/87/51/570838751.db2.gz	NUIPNPTWJJIDQU-UHFFFAOYSA-N	-2	3	383.809	2.919	50	0		GFAAHL
Cc1nn(C[C@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2[O-])c(C)c1Br	ZINC000002794810	209384887	/nfs/dbraw/zinc/38/48/87/209384887.db2.gz	VOIYPLMQNVLASY-QMMMGPOBSA-N	-2	3	396.241	2.941	50	0		GFAAHL
COc1ccc(-n2[n-][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)cc1OC	ZINC000101260758	211397143	/nfs/dbraw/zinc/39/71/43/211397143.db2.gz	HAAMMCZJCZLDNF-ZWKOTPCHSA-N	-2	3	380.404	2.818	50	0		GFAAHL
O=C([O-])c1cc(S(=O)(=O)[N-]CCc2ccccn2)c(Cl)cc1Cl	ZINC000003261575	551092689	/nfs/dbraw/zinc/09/26/89/551092689.db2.gz	VWLMPJFZEKUTJL-UHFFFAOYSA-N	-2	3	375.233	2.608	50	0		GFAAHL
O=C1[N-][C@]([N-]c2ncc(Cl)cn2)(C(F)(F)F)C(=O)N1Cc1ccccc1	ZINC000049547564	222001244	/nfs/dbraw/zinc/00/12/44/222001244.db2.gz	QNGRPGWRZDFKKV-AWEZNQCLSA-N	-2	3	385.733	2.757	50	0		GFAAHL
O=C([O-])c1csc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)N2CCCC2)c1	ZINC000237963960	534550950	/nfs/dbraw/zinc/55/09/50/534550950.db2.gz	MGHINBRASYHTNI-HNNXBMFYSA-N	-2	3	380.491	2.562	50	0		GFAAHL
CCOC(=O)c1[n-]n(-c2ccccc2)c2c([O-])n(-c3ccccc3Cl)c(=O)c1-2	ZINC000100563693	570273248	/nfs/dbraw/zinc/27/32/48/570273248.db2.gz	HSVKCNAZNOMLDI-DOTOQJQBSA-N	-2	3	397.818	2.637	50	0		GFAAHL
Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(C(=O)[O-])c2)c1	ZINC000032962236	570543045	/nfs/dbraw/zinc/54/30/45/570543045.db2.gz	GQBMJNCMBBGJOI-UHFFFAOYSA-N	-2	3	390.461	2.639	50	0		GFAAHL
COc1cc(OC)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(Cl)cc4)c=3c2=O)c1	ZINC000101260818	570817681	/nfs/dbraw/zinc/81/76/81/570817681.db2.gz	JPSSDIFFXCRXLR-CVEARBPZSA-N	-2	3	386.795	2.855	50	0		GFAAHL
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCC(=O)[O-])cc2)c(C)c1	ZINC000000673939	212172631	/nfs/dbraw/zinc/17/26/31/212172631.db2.gz	JYLMBKRKBXPJPY-UHFFFAOYSA-N	-2	3	376.434	2.908	50	0		GFAAHL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Cl	ZINC000013027564	221258679	/nfs/dbraw/zinc/25/86/79/221258679.db2.gz	JBEYQSNWSNQREM-UHFFFAOYSA-N	-3	3	385.781	2.546	50	0		GFAAHL
CCCCn1c([O-])c(C2=NN[C@@H](c3ccc(OC)c(O)c3)C2)c(=O)[n-]c1=S	ZINC000015834789	570272114	/nfs/dbraw/zinc/27/21/14/570272114.db2.gz	NPERKFKIVASEHE-LLVKDONJSA-N	-2	3	390.465	2.564	50	0		GFAAHL
O=C([N-]c1nccs1)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)o1	ZINC000035597489	570400352	/nfs/dbraw/zinc/40/03/52/570400352.db2.gz	KOXAHZSMGXZNFR-UHFFFAOYSA-N	-2	3	393.402	2.518	50	0		GFAAHL
CC[C@@H](C)n1c([O-])c([C@@H]2NCCc3cc(OC)c(OC)cc32)c(=O)[n-]c1=S	ZINC000100747929	570439155	/nfs/dbraw/zinc/43/91/55/570439155.db2.gz	HHYFLAYINTXGAI-QLJPJBMISA-N	-2	3	391.493	2.835	50	0		GFAAHL
COc1cc([C@@H]2CC(=O)Nc3cc(OCC(=O)[O-])ccc32)cc(Cl)c1[O-]	ZINC000065422847	222130385	/nfs/dbraw/zinc/13/03/85/222130385.db2.gz	YIWCKBMGQSKOAM-LBPRGKRZSA-N	-2	3	377.780	2.992	50	0		GFAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC3CC3)cc2)cc1C(=O)[O-]	ZINC000069510527	222175341	/nfs/dbraw/zinc/17/53/41/222175341.db2.gz	WCZQJCUIJBFQGG-UHFFFAOYSA-N	-2	3	389.433	2.778	50	0		GFAAHL
O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(F)cc1	ZINC000003325318	551092758	/nfs/dbraw/zinc/09/27/58/551092758.db2.gz	XJRKYXPKSMXFMZ-LLVKDONJSA-N	-2	3	377.315	2.737	50	0		GFAAHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc([O-])c(Br)c1	ZINC000004113135	551094315	/nfs/dbraw/zinc/09/43/15/551094315.db2.gz	PDEZOGHRYPBKOQ-UHFFFAOYSA-N	-3	3	379.214	2.809	50	0		GFAAHL
COc1cc(OC)cc(-n2c(=O)c3[n-][n-]n(-c4cccc(Cl)c4)c=3c2=O)c1	ZINC000102819725	570865878	/nfs/dbraw/zinc/86/58/78/570865878.db2.gz	MGUJVDAUKDCIKE-CVEARBPZSA-N	-2	3	386.795	2.855	50	0		GFAAHL
O=C(CSc1nc([O-])c(-c2ccccc2)c(=O)[n-]1)Nc1ccccc1Cl	ZINC000001186408	212226705	/nfs/dbraw/zinc/22/67/05/212226705.db2.gz	YHQPKNAPFIYFKL-UHFFFAOYSA-N	-2	3	387.848	2.808	50	0		GFAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c(C)c1OCC(=O)[O-]	ZINC000058283288	222046860	/nfs/dbraw/zinc/04/68/60/222046860.db2.gz	WEPTYJFZSKSAKH-UHFFFAOYSA-N	-2	3	389.351	2.985	50	0		GFAAHL
Cc1ncc(C(=O)N2C[C@@H]3C[C@@H](c4ccccc4)CC[C@]3(C(=O)[O-])C2)c(=O)[n-]1	ZINC000426361050	534728926	/nfs/dbraw/zinc/72/89/26/534728926.db2.gz	BTUZJTFJUXFHKL-QYWGDWMGSA-N	-2	3	381.432	2.601	50	0		GFAAHL
CC(C)c1c([O-])nc(SCC(=O)Nc2nc3ccccc3s2)[n-]c1=O	ZINC000005095308	551096469	/nfs/dbraw/zinc/09/64/69/551096469.db2.gz	LUYGWWINNSILMX-UHFFFAOYSA-N	-2	3	376.463	2.939	50	0		GFAAHL
CCCCn1c([O-])c(C2=NN[C@H](c3ccc4c(c3)OCO4)C2)c(=O)[n-]c1=S	ZINC000101495381	570825532	/nfs/dbraw/zinc/82/55/32/570825532.db2.gz	XZKDAGIFSHCVQG-NSHDSACASA-N	-2	3	388.449	2.579	50	0		GFAAHL
CCCCc1c(C)nc(NC(=O)[N-]S(=O)(=O)c2ccccc2C)[n-]c1=O	ZINC000013407919	221267884	/nfs/dbraw/zinc/26/78/84/221267884.db2.gz	ARYVQJZJPKLYDU-UHFFFAOYSA-N	-2	3	378.454	2.652	50	0		GFAAHL
O=C([O-])[C@@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1	ZINC000299741148	563390843	/nfs/dbraw/zinc/39/08/43/563390843.db2.gz	DBYDPCSAQFOMFK-SECBINFHSA-N	-2	3	379.210	2.640	50	0		GFAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1	ZINC000101260671	570817594	/nfs/dbraw/zinc/81/75/94/570817594.db2.gz	AKVYBWSAHWGHLN-JKSUJKDBSA-N	-2	3	386.795	2.855	50	0		GFAAHL
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1	ZINC000032915912	570926893	/nfs/dbraw/zinc/92/68/93/570926893.db2.gz	IYTBBBLRVOYGMP-UHFFFAOYSA-N	-2	3	388.323	2.686	50	0		GFAAHL
COc1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1C(=O)[O-]	ZINC000095451676	655029291	/nfs/dbraw/zinc/02/92/91/655029291.db2.gz	DXLUUNSJIDCHBF-UHFFFAOYSA-N	-2	3	384.772	2.858	50	0		GFAAHL
CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1	ZINC000042006454	570833208	/nfs/dbraw/zinc/83/32/08/570833208.db2.gz	SQXWBIVXJUXTTF-UHFFFAOYSA-N	-2	3	378.475	2.787	50	0		GFAAHL
COc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(Cl)cc4)c=3c2=O)cc1OC	ZINC000102818930	570865332	/nfs/dbraw/zinc/86/53/32/570865332.db2.gz	CIRAHGWUCDKOPO-CVEARBPZSA-N	-2	3	386.795	2.855	50	0		GFAAHL
COc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(C)c(F)c4)c=3c2=O)cc1OC	ZINC000102820614	570865892	/nfs/dbraw/zinc/86/58/92/570865892.db2.gz	OIFCTHPZOAEFMR-DLBZAZTESA-N	-2	3	384.367	2.649	50	0		GFAAHL
Cc1cc([N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3O)cs2)no1	ZINC000016649464	221367796	/nfs/dbraw/zinc/36/77/96/221367796.db2.gz	YJVLVWVUHBIOFW-UHFFFAOYSA-N	-2	3	379.419	2.803	50	0		GFAAHL
COc1cc([C@H]2CC(=O)Nc3cc(OCC(=O)[O-])ccc32)cc(Cl)c1[O-]	ZINC000065422850	222129993	/nfs/dbraw/zinc/12/99/93/222129993.db2.gz	YIWCKBMGQSKOAM-GFCCVEGCSA-N	-2	3	377.780	2.992	50	0		GFAAHL
CC(C)[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)N1CCCC1	ZINC000670453641	565724247	/nfs/dbraw/zinc/72/42/47/565724247.db2.gz	CAAJOBOOXMPDGV-CQSZACIVSA-N	-2	3	392.880	2.576	50	0		GFAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(C(=O)[O-])c2)c(C)c1	ZINC000032962218	570542813	/nfs/dbraw/zinc/54/28/13/570542813.db2.gz	WIIDWRJNDKXLOV-UHFFFAOYSA-N	-2	3	390.461	2.639	50	0		GFAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc1C	ZINC000032962219	570543008	/nfs/dbraw/zinc/54/30/08/570543008.db2.gz	GAORHOCNRNDWFY-UHFFFAOYSA-N	-2	3	390.461	2.639	50	0		GFAAHL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)c[nH]1	ZINC000036963706	570830080	/nfs/dbraw/zinc/83/00/80/570830080.db2.gz	JWFPAXPWWARPCD-UHFFFAOYSA-N	-2	3	379.619	2.930	50	0		GFAAHL
Cc1ccc(-n2c([O-])c([C@H]3OCc4cnc(C)c(O)c43)c(=O)[n-]c2=S)cc1	ZINC000002146257	570971763	/nfs/dbraw/zinc/97/17/63/570971763.db2.gz	BCQKLBNVTRWDCM-INIZCTEOSA-N	-2	3	383.429	2.938	50	0		GFAAHL
Cc1ccc(-n2c([O-])c([C@H]3OCc4cnc(C)c([O-])c43)c(=O)[n-]c2=S)cc1	ZINC000002146257	570971767	/nfs/dbraw/zinc/97/17/67/570971767.db2.gz	BCQKLBNVTRWDCM-INIZCTEOSA-N	-3	3	383.429	2.938	50	0		GFAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc1C(=O)[O-]	ZINC000048382880	570249879	/nfs/dbraw/zinc/24/98/79/570249879.db2.gz	ZQURUKRUFXDSOM-UHFFFAOYSA-N	-2	3	394.424	2.934	50	0		GFAAHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1cc(Br)ccc1O	ZINC000004147363	570359729	/nfs/dbraw/zinc/35/97/29/570359729.db2.gz	LYCWVZWZPZVDGG-UHFFFAOYSA-N	-2	3	379.214	2.809	50	0		GFAAHL
O=c1[n-]c([O-])c(C2=Nc3ccccc3N[C@H](c3ccc(O)cc3)C2)c(=O)s1	ZINC000035622401	570404235	/nfs/dbraw/zinc/40/42/35/570404235.db2.gz	SNPODXVTQJWPBW-AWEZNQCLSA-N	-2	3	381.413	2.886	50	0		GFAAHL
O=C([O-])Cn1cc([C@@H](C(=O)[O-])N2CCCC2)c2cc(Br)ccc21	ZINC000036356866	570637136	/nfs/dbraw/zinc/63/71/36/570637136.db2.gz	HZEDZXWFWGMMSJ-HNNXBMFYSA-N	-2	3	381.226	2.710	50	0		GFAAHL
CCc1ccc(-n2c(=O)c3[n-][n-]n(-c4cc(OC)cc(OC)c4)c=3c2=O)cc1	ZINC000023125720	570910042	/nfs/dbraw/zinc/91/00/42/570910042.db2.gz	JMQMQHGWAQCANR-QZTJIDSGSA-N	-2	3	380.404	2.764	50	0		GFAAHL
COc1c2occc2c(OC)c(C2=NO[C@@]([O-])(C(F)(F)C(F)F)C2)c1[O-]	ZINC000001416774	570992033	/nfs/dbraw/zinc/99/20/33/570992033.db2.gz	IHUIZCOUGXUUDB-CQSZACIVSA-N	-2	3	379.262	2.869	50	0		GFAAHL
CCCn1cc([C@@H]2CC(c3c([O-])[n-]c(=O)sc3=O)=Nc3ccccc3N2)cn1	ZINC000071785020	205297739	/nfs/dbraw/zinc/29/77/39/205297739.db2.gz	WPUGFHSAHUMSNN-AWEZNQCLSA-N	-2	3	397.460	2.786	50	0		GFAAHL
COC(=O)c1[n-]n(-c2ccc(C)cc2)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000004281897	206214974	/nfs/dbraw/zinc/21/49/74/206214974.db2.gz	DQJCYEDLMBWMFG-WBVHZDCISA-N	-2	3	397.818	2.556	50	0		GFAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)c1	ZINC000023125749	570909872	/nfs/dbraw/zinc/90/98/72/570909872.db2.gz	WDQZGRMUVKQWMB-QZTJIDSGSA-N	-2	3	380.404	2.818	50	0		GFAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1	ZINC000023125734	570909992	/nfs/dbraw/zinc/90/99/92/570909992.db2.gz	AKVYBWSAHWGHLN-CVEARBPZSA-N	-2	3	386.795	2.855	50	0		GFAAHL
COC(=O)c1[n-]n(-c2ccccc2)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000005177967	204116650	/nfs/dbraw/zinc/11/66/50/204116650.db2.gz	JIOWDABCXAKUTG-DOTOQJQBSA-N	-2	3	397.818	2.556	50	0		GFAAHL
COc1cc([N-]S(=O)(=O)c2cc(C)ccc2[O-])ccc1N1CCCC1=O	ZINC000065625652	205239014	/nfs/dbraw/zinc/23/90/14/205239014.db2.gz	YALPCPZPIMGQEZ-UHFFFAOYSA-N	-2	3	376.434	2.637	50	0		GFAAHL
Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(F)cccc1-n1cccn1	ZINC000078789953	570509684	/nfs/dbraw/zinc/50/96/84/570509684.db2.gz	GCCMESPTJNMAQS-UHFFFAOYSA-N	-2	3	393.371	2.958	50	0		GFAAHL
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1	ZINC000004270558	204036099	/nfs/dbraw/zinc/03/60/99/204036099.db2.gz	AGHKXFQVJVXMLV-UHFFFAOYSA-N	-2	3	376.434	2.908	50	0		GFAAHL
CCOC(=O)c1[n-]n(-c2ccccc2)c2c([O-])n(-c3ccccc3Cl)c(=O)c1-2	ZINC000004862899	204083073	/nfs/dbraw/zinc/08/30/73/204083073.db2.gz	HSVKCNAZNOMLDI-RDJZCZTQSA-N	-2	3	397.818	2.637	50	0		GFAAHL
Cn1c2ccccc2c([C@@H](C(=O)[O-])N2CCN(c3ccccc3)CC2)c1C(=O)[O-]	ZINC000036360300	205014768	/nfs/dbraw/zinc/01/47/68/205014768.db2.gz	JJWYJNZMOAMZHJ-FQEVSTJZSA-N	-2	3	393.443	2.824	50	0		GFAAHL
O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCc3ccccc32)c(Br)o1	ZINC000238205132	553086779	/nfs/dbraw/zinc/08/67/79/553086779.db2.gz	DMPJAGZAQAKVNK-JTQLQIEISA-N	-2	3	386.223	2.706	50	0		GFAAHL
CCCCn1c([O-])c(C2=NN[C@H](c3ccc(OC)c(O)c3)C2)c(=O)[n-]c1=S	ZINC000015834792	570271065	/nfs/dbraw/zinc/27/10/65/570271065.db2.gz	NPERKFKIVASEHE-NSHDSACASA-N	-2	3	390.465	2.564	50	0		GFAAHL
Cc1cc(C)c([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)c(C(=O)[O-])c1	ZINC000089568693	570494081	/nfs/dbraw/zinc/49/40/81/570494081.db2.gz	NFWPNPCPNSSTLL-UHFFFAOYSA-N	-3	3	381.381	2.948	50	0		GFAAHL
Cn1cc([C@H](C(=O)[O-])N2CCN(c3ccccc3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036360433	205014632	/nfs/dbraw/zinc/01/46/32/205014632.db2.gz	DFEVJGJBDOKMGK-HXUWFJFHSA-N	-2	3	393.443	2.824	50	0		GFAAHL
COc1cc(OC)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(C)c(C)c4)c=3c2=O)c1	ZINC000101260825	570817492	/nfs/dbraw/zinc/81/74/92/570817492.db2.gz	PSHHJFGMIIAYME-ROUUACIJSA-N	-2	3	380.404	2.818	50	0		GFAAHL
O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1	ZINC000053793508	205137681	/nfs/dbraw/zinc/13/76/81/205137681.db2.gz	VFFCTFHIYUQLOC-UHFFFAOYSA-N	-2	3	376.412	2.969	50	0		GFAAHL
Cc1cc(C(=O)[O-])c([O-])c(S(=O)(=O)N2CCCc3cc(F)c(F)cc32)c1	ZINC000058391598	136155452	/nfs/dbraw/zinc/15/54/52/136155452.db2.gz	FMTKFMFJIBLLEQ-UHFFFAOYSA-N	-2	3	383.372	2.819	50	0		GFAAHL
COC(=O)c1[n-]n(-c2ccc(C)cc2)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000103891312	570889860	/nfs/dbraw/zinc/88/98/60/570889860.db2.gz	DQJCYEDLMBWMFG-DOTOQJQBSA-N	-2	3	397.818	2.556	50	0		GFAAHL
Cc1c([O-])ccc2c(C)c(CC(=O)N[C@H](C(=O)[O-])c3ccccc3)c(=O)oc12	ZINC000002101584	570942854	/nfs/dbraw/zinc/94/28/54/570942854.db2.gz	ZGWLUQXBQKFZEQ-SFHVURJKSA-N	-2	3	381.384	2.600	50	0		GFAAHL
CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c([O-])n(-c3ccccc3)c(=O)c1-2	ZINC000004334977	204039860	/nfs/dbraw/zinc/03/98/60/204039860.db2.gz	ZCPNQXMNRGZWCC-DOTOQJQBSA-N	-2	3	397.818	2.637	50	0		GFAAHL
COc1cc2c(cc1[N-]S(C)(=O)=O)NC(=O)C[C@H]2c1ccc([O-])cc1Cl	ZINC000065372110	205232055	/nfs/dbraw/zinc/23/20/55/205232055.db2.gz	PQPIXLCZANNVGE-NSHDSACASA-N	-2	3	396.852	2.900	50	0		GFAAHL
CC(C)n1c(CCNC(=O)c2cc(Br)ccc2[O-])n[n-]c1=S	ZINC000084633018	205397779	/nfs/dbraw/zinc/39/77/79/205397779.db2.gz	ZHWYQJIXJNXMHJ-UHFFFAOYSA-N	-2	3	385.287	2.962	50	0		GFAAHL
CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C(=O)[O-])cc1	ZINC000002620729	570292201	/nfs/dbraw/zinc/29/22/01/570292201.db2.gz	LQXXAYVTSBKCEQ-UHFFFAOYSA-N	-2	3	381.406	2.602	50	0		GFAAHL
O=C([O-])c1cc(S(=O)(=O)[O-])cc(N=Cc2c([O-])ccc3ccccc32)c1O	ZINC000252620407	570454484	/nfs/dbraw/zinc/45/44/84/570454484.db2.gz	MDNSWTOTYBZJCP-UHFFFAOYSA-N	-3	3	387.369	2.947	50	0		GFAAHL
CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc1	ZINC000032962223	570543017	/nfs/dbraw/zinc/54/30/17/570543017.db2.gz	CIBUTXOSCIEAAS-UHFFFAOYSA-N	-2	3	390.461	2.585	50	0		GFAAHL
Cc1c([O-])ccc2c(C)c(CCC(=O)N[C@H](C(=O)[O-])c3ccccc3)c(=O)oc12	ZINC000002107339	570948697	/nfs/dbraw/zinc/94/86/97/570948697.db2.gz	VGKHXNSUOACOBC-IBGZPJMESA-N	-2	3	395.411	2.990	50	0		GFAAHL
O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(F)cc1	ZINC000003325319	551092626	/nfs/dbraw/zinc/09/26/26/551092626.db2.gz	XJRKYXPKSMXFMZ-NSHDSACASA-N	-2	3	377.315	2.737	50	0		GFAAHL
CCn1nc(C)c([C@H](C)[N-]S(=O)(=O)c2cc(Cl)sc2C(=O)[O-])c1C	ZINC000670441491	565724036	/nfs/dbraw/zinc/72/40/36/565724036.db2.gz	ZWYKGVULVODLMP-QMMMGPOBSA-N	-2	3	391.902	2.972	50	0		GFAAHL
CC(C)[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)N1CCCC1	ZINC000670453640	565724424	/nfs/dbraw/zinc/72/44/24/565724424.db2.gz	CAAJOBOOXMPDGV-AWEZNQCLSA-N	-2	3	392.880	2.576	50	0		GFAAHL
O=c1[n-]c([O-])c(C2=Nc3ccccc3N[C@@H](c3ccc(O)cc3)C2)c(=O)s1	ZINC000035622403	570404095	/nfs/dbraw/zinc/40/40/95/570404095.db2.gz	SNPODXVTQJWPBW-CQSZACIVSA-N	-2	3	381.413	2.886	50	0		GFAAHL
COc1cc(OC)cc(-n2c(=O)c3[n-][n-]n(-c4cccc(Cl)c4)c=3c2=O)c1	ZINC000033114713	570813163	/nfs/dbraw/zinc/81/31/63/570813163.db2.gz	MGUJVDAUKDCIKE-JKSUJKDBSA-N	-2	3	386.795	2.855	50	0		GFAAHL
COc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(C)c(F)c4)c=3c2=O)cc1OC	ZINC000102820620	570865937	/nfs/dbraw/zinc/86/59/37/570865937.db2.gz	OIFCTHPZOAEFMR-SJORKVTESA-N	-2	3	384.367	2.649	50	0		GFAAHL
COc1ccccc1C1=NN(c2nc(C(=O)[O-])cs2)[C@]([O-])(C(F)(F)F)C1	ZINC000005243239	209122078	/nfs/dbraw/zinc/12/20/78/209122078.db2.gz	FHYDXBRIFGNLFK-CQSZACIVSA-N	-2	3	387.339	2.715	50	0		GFAAHL
COc1cc(OC)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(Cl)cc4)c=3c2=O)c1	ZINC000101260820	208389823	/nfs/dbraw/zinc/38/98/23/208389823.db2.gz	JPSSDIFFXCRXLR-JKSUJKDBSA-N	-2	3	386.795	2.855	50	0		GFAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1	ZINC000101260680	208390396	/nfs/dbraw/zinc/39/03/96/208390396.db2.gz	AKVYBWSAHWGHLN-HZPDHXFCSA-N	-2	3	386.795	2.855	50	0		GFAAHL
CCc1c([O-])nc(S[C@@H](CC)C(=O)Nc2ccc(C(C)=O)cc2)[n-]c1=O	ZINC000013565069	570758762	/nfs/dbraw/zinc/75/87/62/570758762.db2.gz	NAQMBGJIKOMESA-AWEZNQCLSA-N	-2	3	375.450	2.750	50	0		GFAAHL
Cc1c([O-])ccc2c(C)c(CCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(=O)oc12	ZINC000002152504	570972954	/nfs/dbraw/zinc/97/29/54/570972954.db2.gz	XZPIZMLYRLBCTP-HNNXBMFYSA-N	-2	3	375.421	2.664	50	0		GFAAHL
CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3ccccc3)c(=O)c1-2	ZINC000100224950	208374782	/nfs/dbraw/zinc/37/47/82/208374782.db2.gz	ZCPNQXMNRGZWCC-WBVHZDCISA-N	-2	3	397.818	2.637	50	0		GFAAHL
CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c([O-])n(-c3ccccc3)c(=O)c1-2	ZINC000100224950	208374784	/nfs/dbraw/zinc/37/47/84/208374784.db2.gz	ZCPNQXMNRGZWCC-WBVHZDCISA-N	-2	3	397.818	2.637	50	0		GFAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)c1	ZINC000101262584	208390875	/nfs/dbraw/zinc/39/08/75/208390875.db2.gz	SPRBHJYLYALAMD-OALUTQOASA-N	-2	3	392.415	2.690	50	0		GFAAHL
O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1	ZINC000032585457	570675818	/nfs/dbraw/zinc/67/58/18/570675818.db2.gz	QYPYQXNKYQPTIO-UHFFFAOYSA-N	-2	3	386.223	2.713	50	0		GFAAHL
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc2c1OCCO2	ZINC000057116339	654800686	/nfs/dbraw/zinc/80/06/86/654800686.db2.gz	WOCDIMJMFHZEIU-UHFFFAOYSA-N	-2	3	387.772	2.749	50	0		GFAAHL
O=C([O-])Cn1cc([C@H](C(=O)[O-])N2CCCC2)c2cc(Br)ccc21	ZINC000036356867	570636856	/nfs/dbraw/zinc/63/68/56/570636856.db2.gz	HZEDZXWFWGMMSJ-OAHLLOKOSA-N	-2	3	381.226	2.710	50	0		GFAAHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc2[n-]cc(C(=O)NC3CC3)c(=O)c2c1	ZINC000004647417	570801069	/nfs/dbraw/zinc/80/10/69/570801069.db2.gz	SBBLRTFJQDSZLU-UHFFFAOYSA-N	-2	3	397.456	2.530	50	0		GFAAHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc2ncc(C(=O)NC3CC3)c([O-])c2c1	ZINC000004647417	570801074	/nfs/dbraw/zinc/80/10/74/570801074.db2.gz	SBBLRTFJQDSZLU-UHFFFAOYSA-N	-2	3	397.456	2.530	50	0		GFAAHL
Cc1ccc(S(=O)(=O)[N-]c2nn[n-]c2C(=O)Nc2ccc(C)cc2C)cc1	ZINC000004497835	209120086	/nfs/dbraw/zinc/12/00/86/209120086.db2.gz	LUSCFUDJAFXYCW-UHFFFAOYSA-N	-2	3	385.449	2.783	50	0		GFAAHL
CNC(=O)c1c[n-]c2ccc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)cc2c1=O	ZINC000004884844	570354871	/nfs/dbraw/zinc/35/48/71/570354871.db2.gz	NILBPXNFXYLZAA-UHFFFAOYSA-N	-2	3	399.472	2.812	50	0		GFAAHL
CNC(=O)c1cnc2ccc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)cc2c1[O-]	ZINC000004884844	570354873	/nfs/dbraw/zinc/35/48/73/570354873.db2.gz	NILBPXNFXYLZAA-UHFFFAOYSA-N	-2	3	399.472	2.812	50	0		GFAAHL
Cc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3F)c2)n1	ZINC000047328437	570953470	/nfs/dbraw/zinc/95/34/70/570953470.db2.gz	LCUZZEXCNBBVIN-UHFFFAOYSA-N	-2	3	395.362	2.963	50	0		GFAAHL
CCOCCc1c([O-])nc(SCC(=O)Nc2cccc3ccccc32)[n-]c1=O	ZINC000013957198	207007025	/nfs/dbraw/zinc/00/70/25/207007025.db2.gz	UMHWYYQRNZELJS-UHFFFAOYSA-N	-2	3	399.472	2.939	50	0		GFAAHL
O=C([O-])[C@H]1CC2(CN1C(=O)C1CC1)CCN(Cc1ccc([O-])c(Cl)c1)CC2	ZINC000072470743	208029856	/nfs/dbraw/zinc/02/98/56/208029856.db2.gz	FORWFIRDXDRKDI-MRXNPFEDSA-N	-2	3	392.883	2.723	50	0		GFAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4cccc(SC)c4)c(=O)c2=3)c1	ZINC000101277757	208388936	/nfs/dbraw/zinc/38/89/36/208388936.db2.gz	XLAXDXANAMJCNV-IAGOWNOFSA-N	-2	3	398.444	2.924	50	0		GFAAHL
COc1cc(OC)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(C)c(C)c4)c=3c2=O)c1	ZINC000101260823	208389488	/nfs/dbraw/zinc/38/94/88/208389488.db2.gz	PSHHJFGMIIAYME-ZWKOTPCHSA-N	-2	3	380.404	2.818	50	0		GFAAHL
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1[O-]	ZINC000000658053	136192892	/nfs/dbraw/zinc/19/28/92/136192892.db2.gz	AFZOKVHVTRDPGK-KPKJPENVSA-N	-2	3	388.832	2.886	50	0		GFAAHL
C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2C(=O)[O-])C[C@@H](C)O1	ZINC000004297032	570366062	/nfs/dbraw/zinc/36/60/62/570366062.db2.gz	WRAPDKKJWYYHSI-ZIAGYGMSSA-N	-2	3	390.461	2.799	50	0		GFAAHL
CCn1ncc([C@@H]2CC(c3c([O-])[n-]c(=O)sc3=O)=Nc3ccccc3N2)c1C	ZINC000036621396	570765220	/nfs/dbraw/zinc/76/52/20/570765220.db2.gz	IUEHLAOWUIEYTA-AWEZNQCLSA-N	-2	3	397.460	2.705	50	0		GFAAHL
CC[C@@H](C)[C@H](NC(=O)CCc1c(C)c2ccc([O-])c(C)c2oc1=O)C(=O)[O-]	ZINC000002107574	570948682	/nfs/dbraw/zinc/94/86/82/570948682.db2.gz	BMUZWICCRQHOTG-QGHHPUGFSA-N	-2	3	375.421	2.664	50	0		GFAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4ccc(C)c(F)c4)c(=O)c2=3)c1	ZINC000023125658	207269914	/nfs/dbraw/zinc/26/99/14/207269914.db2.gz	XYLVGSUPRTWEDO-IAGOWNOFSA-N	-2	3	384.367	2.649	50	0		GFAAHL
COc1cc(OC)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(Cl)cc4)c=3c2=O)c1	ZINC000101260817	208388814	/nfs/dbraw/zinc/38/88/14/208388814.db2.gz	JPSSDIFFXCRXLR-HOTGVXAUSA-N	-2	3	386.795	2.855	50	0		GFAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)c1	ZINC000101262581	208389386	/nfs/dbraw/zinc/38/93/86/208389386.db2.gz	SPRBHJYLYALAMD-RBUKOAKNSA-N	-2	3	392.415	2.690	50	0		GFAAHL
Cc1cc(C(=O)[O-])c([O-])c(S(=O)(=O)N2CCCc3cc(F)cc(F)c32)c1	ZINC000058420863	136155424	/nfs/dbraw/zinc/15/54/24/136155424.db2.gz	XAYAQPTZRFESHW-UHFFFAOYSA-N	-2	3	383.372	2.819	50	0		GFAAHL
CSCC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-]	ZINC000003394757	551093278	/nfs/dbraw/zinc/09/32/78/551093278.db2.gz	NFYOXOIDASVLEH-VIFPVBQESA-N	-2	3	391.820	2.843	50	0		GFAAHL
CCc1c([O-])nc(SCC(=O)Nc2ccc(Br)cc2)[n-]c1=O	ZINC000009335018	551103539	/nfs/dbraw/zinc/10/35/39/551103539.db2.gz	VGEBTVMHOOUZOB-UHFFFAOYSA-N	-2	3	384.255	2.531	50	0		GFAAHL
O=C([O-])CSc1nc2c(Br)cc(Br)cc2c(=O)[n-]1	ZINC000005818831	570500765	/nfs/dbraw/zinc/50/07/65/570500765.db2.gz	CBILCVADVNQLRJ-UHFFFAOYSA-N	-2	3	394.044	2.625	50	0		GFAAHL
Cn1cc([C@@H](C(=O)[O-])N2CCN(c3ccccc3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036360432	570642304	/nfs/dbraw/zinc/64/23/04/570642304.db2.gz	DFEVJGJBDOKMGK-FQEVSTJZSA-N	-2	3	393.443	2.824	50	0		GFAAHL
COc1cc(OC)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(C)c(F)c4)c=3c2=O)c1	ZINC000102819719	570865933	/nfs/dbraw/zinc/86/59/33/570865933.db2.gz	KPDSLVOUPNFQGY-SJORKVTESA-N	-2	3	384.367	2.649	50	0		GFAAHL
CCc1c([O-])nc(S[C@H](CC)C(=O)Nc2ccc(C(C)=O)cc2)[n-]c1=O	ZINC000013565068	210068064	/nfs/dbraw/zinc/06/80/64/210068064.db2.gz	NAQMBGJIKOMESA-CQSZACIVSA-N	-2	3	375.450	2.750	50	0		GFAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4ccc(C)c(F)c4)c(=O)c2=3)c1	ZINC000101260387	211396403	/nfs/dbraw/zinc/39/64/03/211396403.db2.gz	XYLVGSUPRTWEDO-DLBZAZTESA-N	-2	3	384.367	2.649	50	0		GFAAHL
O=S(=O)([N-]c1ccc(Cc2nnn[n-]2)cc1)c1cccc(Cl)c1Cl	ZINC000095420526	211238761	/nfs/dbraw/zinc/23/87/61/211238761.db2.gz	CLCMTWXRTMEOPU-UHFFFAOYSA-N	-2	3	384.248	2.898	50	0		GFAAHL
O=S(=O)([N-]c1ccc(Cc2nn[n-]n2)cc1)c1cccc(Cl)c1Cl	ZINC000095420526	211238763	/nfs/dbraw/zinc/23/87/63/211238763.db2.gz	CLCMTWXRTMEOPU-UHFFFAOYSA-N	-2	3	384.248	2.898	50	0		GFAAHL
O=C([O-])[C@@H]1CC2(CN1C(=O)C1CC1)CCN(Cc1ccc([O-])c(Cl)c1)CC2	ZINC000072470745	211121412	/nfs/dbraw/zinc/12/14/12/211121412.db2.gz	FORWFIRDXDRKDI-INIZCTEOSA-N	-2	3	392.883	2.723	50	0		GFAAHL
CCn1cc([C@H]2CC(c3c([O-])[n-]c(=O)sc3=O)=Nc3ccccc3N2)c(C)n1	ZINC000036621273	570765230	/nfs/dbraw/zinc/76/52/30/570765230.db2.gz	CSDFQPAJZKHUGI-CQSZACIVSA-N	-2	3	397.460	2.705	50	0		GFAAHL
CCc1c([O-])nc(SCC(=O)Nc2nc(-c3ccccc3)cs2)[n-]c1=O	ZINC000003664373	570881657	/nfs/dbraw/zinc/88/16/57/570881657.db2.gz	AWNUMOYWHCOVFB-UHFFFAOYSA-N	-2	3	388.474	2.520	50	0		GFAAHL
CC(C)n1[n-]c(=O)c2c1NC(=O)CS[C@H]2c1ccccc1OCC(=O)[O-]	ZINC000095476798	211247420	/nfs/dbraw/zinc/24/74/20/211247420.db2.gz	JMFJETDIJPUBEL-HNNXBMFYSA-N	-2	3	377.422	2.645	50	0		GFAAHL
O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1N1CCSCC1	ZINC000058365842	136155290	/nfs/dbraw/zinc/15/52/90/136155290.db2.gz	SIDXZZMFMGRQHR-UHFFFAOYSA-N	-2	3	396.465	2.878	50	0		GFAAHL
O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)cc1	ZINC000096930718	211970527	/nfs/dbraw/zinc/97/05/27/211970527.db2.gz	SZGPYENAFSRKDB-UTCJRWHESA-N	-2	3	381.793	2.967	50	0		GFAAHL
CCOC(=O)c1[n-]n(-c2ccccc2)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000100563723	211389371	/nfs/dbraw/zinc/38/93/71/211389371.db2.gz	QMSRKXOPQMMKMS-RDJZCZTQSA-N	-2	3	397.818	2.637	50	0		GFAAHL
CCOC(=O)c1nc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)c[n-]1	ZINC000170617388	551635924	/nfs/dbraw/zinc/63/59/24/551635924.db2.gz	WPHYCEZJLGMWBE-UHFFFAOYSA-N	-2	3	377.344	2.547	50	0		GFAAHL
CC[C@H](C)n1c([O-])c([C@H]2NCCc3cc(OC)c(OC)cc32)c(=O)[n-]c1=S	ZINC000100747928	570438833	/nfs/dbraw/zinc/43/88/33/570438833.db2.gz	HHYFLAYINTXGAI-QFYYESIMSA-N	-2	3	391.493	2.835	50	0		GFAAHL
CCn1cc([C@@H]2CC(c3c([O-])[n-]c(=O)sc3=O)=Nc3ccccc3N2)c(C)n1	ZINC000036621272	570765343	/nfs/dbraw/zinc/76/53/43/570765343.db2.gz	CSDFQPAJZKHUGI-AWEZNQCLSA-N	-2	3	397.460	2.705	50	0		GFAAHL
COc1ccc(C2=NN(c3nc(C(=O)[O-])cs3)[C@@]([O-])(C(F)(F)F)C2)cc1	ZINC000005244318	212065007	/nfs/dbraw/zinc/06/50/07/212065007.db2.gz	UPMXIGWXQKVXHL-AWEZNQCLSA-N	-2	3	387.339	2.715	50	0		GFAAHL
COc1ccccc1C1=NN(c2nc(C(=O)[O-])cs2)[C@@]([O-])(C(F)(F)F)C1	ZINC000005243241	212065621	/nfs/dbraw/zinc/06/56/21/212065621.db2.gz	FHYDXBRIFGNLFK-AWEZNQCLSA-N	-2	3	387.339	2.715	50	0		GFAAHL
O=C(c1ccc(Cl)cc1[O-])N1CCc2c(=O)[n-]c(-c3ccccc3)nc2C1	ZINC000071661698	211051349	/nfs/dbraw/zinc/05/13/49/211051349.db2.gz	WZWVDILNZMFNEQ-UHFFFAOYSA-N	-2	3	381.819	2.994	50	0		GFAAHL
CCCCn1c([O-])c([C@H]2NCCc3cc(OC)c(OC)cc32)c(=O)[n-]c1=S	ZINC000020267486	210326521	/nfs/dbraw/zinc/32/65/21/210326521.db2.gz	DPIWXDVLBXDSCF-INIZCTEOSA-N	-2	3	391.493	2.664	50	0		GFAAHL
COc1cccc2c1N(S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1[O-])CCC2	ZINC000065513444	536959295	/nfs/dbraw/zinc/95/92/95/536959295.db2.gz	LSDXCSIXVIRIQW-UHFFFAOYSA-N	-2	3	377.418	2.549	50	0		GFAAHL
COc1cc(OC)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(C)c(F)c4)c=3c2=O)c1	ZINC000033114712	570813283	/nfs/dbraw/zinc/81/32/83/570813283.db2.gz	KPDSLVOUPNFQGY-IAGOWNOFSA-N	-2	3	384.367	2.649	50	0		GFAAHL
COc1ccc(-n2[n-][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)cc1OC	ZINC000101260752	211396675	/nfs/dbraw/zinc/39/66/75/211396675.db2.gz	HAAMMCZJCZLDNF-ROUUACIJSA-N	-2	3	380.404	2.818	50	0		GFAAHL
CC[C@H](C)n1c([O-])c([C@@H]2NCCc3cc(OC)c(OC)cc32)c(=O)[n-]c1=S	ZINC000100747931	570438319	/nfs/dbraw/zinc/43/83/19/570438319.db2.gz	HHYFLAYINTXGAI-MGPLVRAMSA-N	-2	3	391.493	2.835	50	0		GFAAHL
COc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(Cl)cc4)c=3c2=O)cc1OC	ZINC000102818934	570865341	/nfs/dbraw/zinc/86/53/41/570865341.db2.gz	CIRAHGWUCDKOPO-JKSUJKDBSA-N	-2	3	386.795	2.855	50	0		GFAAHL
COc1cc(OC)cc(-n2c(=O)c3[n-][n-]n(-c4cccc(Cl)c4)c=3c2=O)c1	ZINC000102819726	570865876	/nfs/dbraw/zinc/86/58/76/570865876.db2.gz	MGUJVDAUKDCIKE-HZPDHXFCSA-N	-2	3	386.795	2.855	50	0		GFAAHL
COc1ccccc1-n1c([O-])c([C@@H]2NCCc3ccccc32)c(=O)[n-]c1=S	ZINC000017197311	210206667	/nfs/dbraw/zinc/20/66/67/210206667.db2.gz	VERGXPPEFDEVPB-QGZVFWFLSA-N	-2	3	381.457	2.844	50	0		GFAAHL
CCc1ccc([C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)N(C)C)cc1	ZINC000013309920	210057476	/nfs/dbraw/zinc/05/74/76/210057476.db2.gz	LXAYWFJXOAZETI-OAHLLOKOSA-N	-2	3	382.507	2.590	50	0		GFAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)c1	ZINC000101260804	211395820	/nfs/dbraw/zinc/39/58/20/211395820.db2.gz	WDQZGRMUVKQWMB-ROUUACIJSA-N	-2	3	380.404	2.818	50	0		GFAAHL
O=C([O-])[C@@H]1CC2(CN1Cc1ccc([O-])c(Cl)c1)CCN(C(=O)C1CC1)CC2	ZINC000072412005	211114649	/nfs/dbraw/zinc/11/46/49/211114649.db2.gz	LMECMQZKBYSOMP-INIZCTEOSA-N	-2	3	392.883	2.723	50	0		GFAAHL
COc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(Cl)cc4)c=3c2=O)cc1OC	ZINC000102818929	570865444	/nfs/dbraw/zinc/86/54/44/570865444.db2.gz	CIRAHGWUCDKOPO-HOTGVXAUSA-N	-2	3	386.795	2.855	50	0		GFAAHL
Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCCO3)c(C)c1	ZINC000010657354	570993397	/nfs/dbraw/zinc/99/33/97/570993397.db2.gz	XHJZUUAJERATSO-UHFFFAOYSA-N	-2	3	377.418	2.964	50	0		GFAAHL
O=C([O-])c1ccc(S(=O)(=O)NN=c2[n-]cc(C(F)(F)F)cc2Cl)cc1	ZINC000014250511	210114093	/nfs/dbraw/zinc/11/40/93/210114093.db2.gz	PUPBECKPZOZDHF-UHFFFAOYSA-N	-2	3	395.746	2.757	50	0		GFAAHL
CCCC[C@@H](NC(=O)CCc1c(C)c2ccc([O-])c(C)c2oc1=O)C(=O)[O-]	ZINC000002104778	209347872	/nfs/dbraw/zinc/34/78/72/209347872.db2.gz	AYHYDNHNIAEVPW-OAHLLOKOSA-N	-2	3	375.421	2.808	50	0		GFAAHL
COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1Br	ZINC000006315996	551098746	/nfs/dbraw/zinc/09/87/46/551098746.db2.gz	QYRFRUYEFVFJOF-UHFFFAOYSA-N	-2	3	386.223	2.957	50	0		GFAAHL
Cc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(Cl)c2N2CCOCC2)c1	ZINC000048232377	570223994	/nfs/dbraw/zinc/22/39/94/570223994.db2.gz	FUKVXEGKZLQFNL-UHFFFAOYSA-N	-2	3	382.869	2.991	50	0		GFAAHL
COc1ccc(-n2[n-][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)cc1OC	ZINC000023125741	570909968	/nfs/dbraw/zinc/90/99/68/570909968.db2.gz	HAAMMCZJCZLDNF-QZTJIDSGSA-N	-2	3	380.404	2.818	50	0		GFAAHL
COc1ccc(-n2[n-][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)cc1OC	ZINC000101260755	222468785	/nfs/dbraw/zinc/46/87/85/222468785.db2.gz	HAAMMCZJCZLDNF-MSOLQXFVSA-N	-2	3	380.404	2.818	50	0		GFAAHL
CC(C)(C)OC(=O)[N-]S(=O)(=O)[N-]Cc1ncc(C(F)(F)F)cc1Cl	ZINC000263639902	553189882	/nfs/dbraw/zinc/18/98/82/553189882.db2.gz	NVCANPMVJDXLSM-UHFFFAOYSA-N	-2	3	389.783	2.613	50	0		GFAAHL
C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2C(=O)[O-])C[C@H](C)O1	ZINC000004297030	570366130	/nfs/dbraw/zinc/36/61/30/570366130.db2.gz	WRAPDKKJWYYHSI-OKILXGFUSA-N	-2	3	390.461	2.799	50	0		GFAAHL
CCOC(=O)c1[n-]n(-c2ccccc2)c2c([O-])n(-c3ccccc3Cl)c(=O)c1-2	ZINC000004862900	570413457	/nfs/dbraw/zinc/41/34/57/570413457.db2.gz	HSVKCNAZNOMLDI-WBVHZDCISA-N	-2	3	397.818	2.637	50	0		GFAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1	ZINC000101260676	570817427	/nfs/dbraw/zinc/81/74/27/570817427.db2.gz	AKVYBWSAHWGHLN-HOTGVXAUSA-N	-2	3	386.795	2.855	50	0		GFAAHL
CCCCn1c([O-])c(C2=NN[C@@H](c3ccc4c(c3)OCO4)C2)c(=O)[n-]c1=S	ZINC000101495383	570825581	/nfs/dbraw/zinc/82/55/81/570825581.db2.gz	XZKDAGIFSHCVQG-LLVKDONJSA-N	-2	3	388.449	2.579	50	0		GFAAHL
CCCC[C@H](NC(=O)CCc1c(C)c2ccc([O-])c(C)c2oc1=O)C(=O)[O-]	ZINC000002104775	570946701	/nfs/dbraw/zinc/94/67/01/570946701.db2.gz	AYHYDNHNIAEVPW-HNNXBMFYSA-N	-2	3	375.421	2.808	50	0		GFAAHL
COc1ccc(NC(=O)Cc2c(C)c3c([O-])cc([O-])cc3oc2=O)c(OC)c1	ZINC000006660640	570523346	/nfs/dbraw/zinc/52/33/46/570523346.db2.gz	MIWWEERABAYOGR-UHFFFAOYSA-N	-2	3	385.372	2.711	50	0		GFAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4ccc(C)c(F)c4)c(=O)c2=3)c1	ZINC000101260386	570817669	/nfs/dbraw/zinc/81/76/69/570817669.db2.gz	XYLVGSUPRTWEDO-SJORKVTESA-N	-2	3	384.367	2.649	50	0		GFAAHL
COc1cccc(-n2c([O-])c([C@H]3NCCc4ccccc43)c(=O)[n-]c2=S)c1	ZINC000017196535	221381258	/nfs/dbraw/zinc/38/12/58/221381258.db2.gz	AXLUQHVWBIKZJT-KRWDZBQOSA-N	-2	3	381.457	2.844	50	0		GFAAHL
CC[N-]S(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C)cc1C	ZINC000095945401	222361856	/nfs/dbraw/zinc/36/18/56/222361856.db2.gz	VIIJXHBCQMMQTH-UHFFFAOYSA-N	-2	3	386.470	2.542	50	0		GFAAHL
Cc1ccc(C(=O)N2CCc3[nH]c(-c4ccc(C(=O)[O-])cc4)nc3C2)c([O-])c1	ZINC000219467930	570363907	/nfs/dbraw/zinc/36/39/07/570363907.db2.gz	FDCZMFNQCZNZJJ-UHFFFAOYSA-N	-2	3	377.400	2.987	50	0		GFAAHL
Cc1ccc(C(=O)N2CCc3nc(-c4ccc(C(=O)[O-])cc4)[nH]c3C2)c([O-])c1	ZINC000219467930	570363910	/nfs/dbraw/zinc/36/39/10/570363910.db2.gz	FDCZMFNQCZNZJJ-UHFFFAOYSA-N	-2	3	377.400	2.987	50	0		GFAAHL
CCc1ccc(-n2c(=O)c3[n-][n-]n(-c4cc(OC)cc(OC)c4)c=3c2=O)cc1	ZINC000101260526	570817434	/nfs/dbraw/zinc/81/74/34/570817434.db2.gz	JMQMQHGWAQCANR-ROUUACIJSA-N	-2	3	380.404	2.764	50	0		GFAAHL
O=C([O-])[C@@H]1CCCN1C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O	ZINC000091951414	571037299	/nfs/dbraw/zinc/03/72/99/571037299.db2.gz	QSACEULUEHGISX-ZDUSSCGKSA-N	-2	3	396.230	2.769	50	0		GFAAHL
COc1cc2c(cc1[N-]S(C)(=O)=O)NC(=O)C[C@@H]2c1ccc([O-])cc1Cl	ZINC000065372109	222126231	/nfs/dbraw/zinc/12/62/31/222126231.db2.gz	PQPIXLCZANNVGE-LLVKDONJSA-N	-2	3	396.852	2.900	50	0		GFAAHL
CCOC(=O)c1[n-]n(-c2ccccc2)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000004863165	570350578	/nfs/dbraw/zinc/35/05/78/570350578.db2.gz	QMSRKXOPQMMKMS-DOTOQJQBSA-N	-2	3	397.818	2.637	50	0		GFAAHL
CCOC(=O)c1[n-]n(-c2ccccc2)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000004863166	570350585	/nfs/dbraw/zinc/35/05/85/570350585.db2.gz	QMSRKXOPQMMKMS-WBVHZDCISA-N	-2	3	397.818	2.637	50	0		GFAAHL
CCn1ncc([C@H]2CC(c3c([O-])[n-]c(=O)sc3=O)=Nc3ccccc3N2)c1C	ZINC000036621397	570765291	/nfs/dbraw/zinc/76/52/91/570765291.db2.gz	IUEHLAOWUIEYTA-CQSZACIVSA-N	-2	3	397.460	2.705	50	0		GFAAHL
O=C([O-])Cc1csc([N-]C(=O)c2nnn(-c3ccccc3)c2C(F)(F)F)n1	ZINC000170671095	571007593	/nfs/dbraw/zinc/00/75/93/571007593.db2.gz	CPZDFMSJVSKVLC-UHFFFAOYSA-N	-2	3	397.338	2.622	50	0		GFAAHL
O=C(CSc1nc([O-])c(-c2ccccc2)c(=O)[n-]1)Nc1cccc(Cl)c1	ZINC000001194270	212228668	/nfs/dbraw/zinc/22/86/68/212228668.db2.gz	QSTKWULECDFAKK-UHFFFAOYSA-N	-2	3	387.848	2.808	50	0		GFAAHL
Cc1nc(N[C@H]2C[C@@H](c3cc(=O)[n-]c(N4CCCC4)n3)C2)c(Cl)c(=O)[n-]1	ZINC000253535448	570733612	/nfs/dbraw/zinc/73/36/12/570733612.db2.gz	QSUVZLXSQPEEEK-PHIMTYICSA-N	-2	3	376.848	2.598	50	0		GFAAHL
COc1cc(OC)cc(-n2c(=O)c3[n-][n-]n(-c4cccc(Cl)c4)c=3c2=O)c1	ZINC000102819721	570865872	/nfs/dbraw/zinc/86/58/72/570865872.db2.gz	MGUJVDAUKDCIKE-HOTGVXAUSA-N	-2	3	386.795	2.855	50	0		GFAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4cccc(SC)c4)c(=O)c2=3)c1	ZINC000033274058	570949564	/nfs/dbraw/zinc/94/95/64/570949564.db2.gz	XLAXDXANAMJCNV-SJORKVTESA-N	-2	3	398.444	2.924	50	0		GFAAHL
COc1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc(C(=O)[O-])c1OC	ZINC000045946338	571003176	/nfs/dbraw/zinc/00/31/76/571003176.db2.gz	YNVBPNGUGQOOCZ-UHFFFAOYSA-N	-2	3	391.323	2.620	50	0		GFAAHL
O=C(CSc1nc([O-])c(Cc2ccccc2F)c(=O)[n-]1)NC1CCCCC1	ZINC000013957187	221294019	/nfs/dbraw/zinc/29/40/19/221294019.db2.gz	MHYIDFJLWLQMSQ-UHFFFAOYSA-N	-2	3	391.468	2.746	50	0		GFAAHL
CC[C@H](C)n1c([O-])c([C@H]2NCCc3cc(OC)c(OC)cc32)c(=O)[n-]c1=S	ZINC000018176785	221388897	/nfs/dbraw/zinc/38/88/97/221388897.db2.gz	ZFASTAFOEXHEKB-QFYYESIMSA-N	-2	3	391.493	2.835	50	0		GFAAHL
CSCC[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-]	ZINC000003394759	551093303	/nfs/dbraw/zinc/09/33/03/551093303.db2.gz	NFYOXOIDASVLEH-SECBINFHSA-N	-2	3	391.820	2.843	50	0		GFAAHL
COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)CCSC)c1	ZINC000012794527	221232565	/nfs/dbraw/zinc/23/25/65/221232565.db2.gz	PGMVILCRXDDGBD-UHFFFAOYSA-N	-2	3	396.490	2.893	50	0		GFAAHL
Cc1ccc(-c2cc(C(=O)[N-]n3c(=O)c4ccccc4[n-]c3=S)n[nH]2)cc1	ZINC000013959813	221294365	/nfs/dbraw/zinc/29/43/65/221294365.db2.gz	BKTGERNOTFLTJN-UHFFFAOYSA-N	-2	3	377.429	2.768	50	0		GFAAHL
CC[C@@H](C)n1c([O-])c([C@@H]2NCCc3cc(OC)c(OC)cc32)c(=O)[n-]c1=S	ZINC000018154745	221388375	/nfs/dbraw/zinc/38/83/75/221388375.db2.gz	ZFASTAFOEXHEKB-QLJPJBMISA-N	-2	3	391.493	2.835	50	0		GFAAHL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc2c1OCCO2	ZINC000057115865	222027923	/nfs/dbraw/zinc/02/79/23/222027923.db2.gz	LEDNSTZCHRWYSI-UHFFFAOYSA-N	-2	3	387.772	2.749	50	0		GFAAHL
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(C(=O)[O-])c2)c1	ZINC000032962212	570543002	/nfs/dbraw/zinc/54/30/02/570543002.db2.gz	ROQIUDPYBHBMRU-UHFFFAOYSA-N	-2	3	390.461	2.639	50	0		GFAAHL
CCc1ccc(-n2c(=O)c3[n-][n-]n(-c4cc(OC)cc(OC)c4)c=3c2=O)cc1	ZINC000101260531	570817421	/nfs/dbraw/zinc/81/74/21/570817421.db2.gz	JMQMQHGWAQCANR-ZWKOTPCHSA-N	-2	3	380.404	2.764	50	0		GFAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1Br	ZINC000006316013	212081866	/nfs/dbraw/zinc/08/18/66/212081866.db2.gz	IDDFFNJLTLGZGH-UHFFFAOYSA-N	-2	3	386.223	2.957	50	0		GFAAHL
O=C1[N-][C@@]([N-]c2ncc(Cl)cn2)(C(F)(F)F)C(=O)N1Cc1ccccc1	ZINC000049547562	222000359	/nfs/dbraw/zinc/00/03/59/222000359.db2.gz	QNGRPGWRZDFKKV-CQSZACIVSA-N	-2	3	385.733	2.757	50	0		GFAAHL
O=C([O-])[C@@H](c1c[nH]c2ccc(Br)cc21)N1CCC(C(=O)[O-])CC1	ZINC000020722815	570276501	/nfs/dbraw/zinc/27/65/01/570276501.db2.gz	QJVABMADZQATDM-CQSZACIVSA-N	-2	3	381.226	2.853	50	0		GFAAHL