smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-][nH]c(=O)c1[C@@H](c1c(C)[n-]oc1=O)c1cccc(Br)c1	ZINC000004625871	204152196	/nfs/dbraw/zinc/15/21/96/204152196.db2.gz	SDFZNWZYTBOKJV-ZDUSSCGKSA-N	-2	3	364.199	3.368	50	0		FGAAHL
Cc1cc2oc(-c3cc(C(=O)[O-])cc4c3OCOC4)c([O-])c(=O)c2cc1C	ZINC000004023814	206163750	/nfs/dbraw/zinc/16/37/50/206163750.db2.gz	RNVLONIMDKASPP-UHFFFAOYSA-N	-2	3	368.341	3.347	50	0		FGAAHL
O=C([N-]c1n[n-]c(-c2ccccn2)n1)c1cc(-c2cccc(Cl)c2)on1	ZINC000040154821	494137823	/nfs/dbraw/zinc/13/78/23/494137823.db2.gz	GLNQRHXNEFUEEI-UHFFFAOYSA-N	-2	3	366.768	3.427	50	0		FGAAHL
Cc1c(C(=O)[O-])sc2[n-]c(COc3ccc(Cl)cc3)nc(=O)c12	ZINC000013276537	494283484	/nfs/dbraw/zinc/28/34/84/494283484.db2.gz	QPYGJEQDWVWIQP-UHFFFAOYSA-N	-2	3	350.783	3.224	50	0		FGAAHL
Cc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(F)cc4)c=3c2=O)cc1Cl	ZINC000023125651	494550107	/nfs/dbraw/zinc/55/01/07/494550107.db2.gz	SKRLZYFQXOUMLB-LSDHHAIUSA-N	-2	3	358.760	3.285	50	0		FGAAHL
CCc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(C)c(F)c4)c=3c2=O)cc1	ZINC000023125553	494550191	/nfs/dbraw/zinc/55/01/91/494550191.db2.gz	ZPBXAZTXSGRCNR-DLBZAZTESA-N	-2	3	352.369	3.194	50	0		FGAAHL
Cc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(F)c(Cl)c4)c=3c2=O)cc1	ZINC000102807395	495162880	/nfs/dbraw/zinc/16/28/80/495162880.db2.gz	RDJSNZCAIMFGJC-LSDHHAIUSA-N	-2	3	358.760	3.285	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1Cl	ZINC000102818507	570839446	/nfs/dbraw/zinc/83/94/46/570839446.db2.gz	OCUHZCNOTJRCQH-GJZGRUSLSA-N	-2	3	358.760	3.285	50	0		FGAAHL
COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)c(C)c1	ZINC000047317965	206080619	/nfs/dbraw/zinc/08/06/19/206080619.db2.gz	QWHKOUOOJGZSRR-UHFFFAOYSA-N	-2	3	371.361	3.089	50	0		FGAAHL
CCOc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccccc2[O-])cc1	ZINC000012992976	494274732	/nfs/dbraw/zinc/27/47/32/494274732.db2.gz	NWARABCWQSQZEU-UHFFFAOYSA-N	-2	3	370.434	3.351	50	0		FGAAHL
COc1ccc(/C=C\C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Cl	ZINC000096736601	495013746	/nfs/dbraw/zinc/01/37/46/495013746.db2.gz	KSSIXFLGZHWEMF-CLFYSBASSA-N	-2	3	367.810	3.247	50	0		FGAAHL
Cc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(F)c(Cl)c4)c=3c2=O)cc1	ZINC000102807393	495162741	/nfs/dbraw/zinc/16/27/41/495162741.db2.gz	RDJSNZCAIMFGJC-CABCVRRESA-N	-2	3	358.760	3.285	50	0		FGAAHL
Cc1cc(C)cc(-n2[n-][n-]c3c(=O)n(-c4ccc(C)c(F)c4)c(=O)c2=3)c1	ZINC000101970550	570825358	/nfs/dbraw/zinc/82/53/58/570825358.db2.gz	CWSPEAJHAGJRQX-IAGOWNOFSA-N	-2	3	352.369	3.249	50	0		FGAAHL
CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1	ZINC000058421370	493851883	/nfs/dbraw/zinc/85/18/83/493851883.db2.gz	SEOMCKCJXDVSDO-UHFFFAOYSA-N	-2	3	355.799	3.238	50	0		FGAAHL
Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(N(C)C)c(C(=O)[O-])c1	ZINC000032962261	494032750	/nfs/dbraw/zinc/03/27/50/494032750.db2.gz	XMDKIQWDBBTZIB-UHFFFAOYSA-N	-2	3	368.842	3.213	50	0		FGAAHL
CC1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2)CC1	ZINC000012560901	494242298	/nfs/dbraw/zinc/24/22/98/494242298.db2.gz	BJXYQYFFYLKOJY-UHFFFAOYSA-N	-2	3	374.462	3.422	50	0		FGAAHL
O=C(Nc1ccccc1Br)c1c([O-])[n-]c2ccccc2c1=O	ZINC000018156434	494426439	/nfs/dbraw/zinc/42/64/39/494426439.db2.gz	ZSBZGVBBQGWAAG-UHFFFAOYSA-N	-2	3	359.179	3.249	50	0		FGAAHL
Cc1cc(C)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(C)c(F)c4)c=3c2=O)c1	ZINC000101260784	495068100	/nfs/dbraw/zinc/06/81/00/495068100.db2.gz	YAGIFQLAPPAFPR-SJORKVTESA-N	-2	3	352.369	3.249	50	0		FGAAHL
Cc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(F)c(Cl)c4)c=3c2=O)cc1	ZINC000102807391	495162683	/nfs/dbraw/zinc/16/26/83/495162683.db2.gz	RDJSNZCAIMFGJC-GJZGRUSLSA-N	-2	3	358.760	3.285	50	0		FGAAHL
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1Cl	ZINC000005134948	493915374	/nfs/dbraw/zinc/91/53/74/493915374.db2.gz	NHQQDBYWEBZMMS-UHFFFAOYSA-N	-2	3	369.826	3.464	50	0		FGAAHL
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N(C)C)c(C(=O)[O-])c2)c(C)c1	ZINC000032962238	494032716	/nfs/dbraw/zinc/03/27/16/494032716.db2.gz	AGIOEIKRHSRVBX-UHFFFAOYSA-N	-2	3	362.451	3.177	50	0		FGAAHL
COc1cc(C(=O)N2CCC(Cc3cccc(C(=O)[O-])c3)CC2)ccc1[O-]	ZINC000072125480	494129217	/nfs/dbraw/zinc/12/92/17/494129217.db2.gz	SXAHQDRVQKKOGL-UHFFFAOYSA-N	-2	3	369.417	3.194	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1F	ZINC000101261216	495068004	/nfs/dbraw/zinc/06/80/04/495068004.db2.gz	YQLOHWCMJVIQJI-LSDHHAIUSA-N	-2	3	358.760	3.285	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(C)c(F)c4)c(=O)c2=3)cc1F	ZINC000102819381	570839755	/nfs/dbraw/zinc/83/97/55/570839755.db2.gz	GHNNRPJJBIKUMQ-HZPDHXFCSA-N	-2	3	356.332	3.079	50	0		FGAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc3oc(C)c(C(=O)[O-])c3c2)cc1	ZINC000000793386	493772801	/nfs/dbraw/zinc/77/28/01/493772801.db2.gz	UTRWISBNXMJCBJ-UHFFFAOYSA-N	-2	3	361.375	3.249	50	0		FGAAHL
O=C1O[C@@H](c2c(=O)[n-]c(=S)n(C3CCCCC3)c2[O-])c2ccccc21	ZINC000101337397	495068226	/nfs/dbraw/zinc/06/82/26/495068226.db2.gz	MLTGSSHWAKZJJP-CQSZACIVSA-N	-2	3	358.419	3.376	50	0		FGAAHL
CCc1ccccc1-n1[n-][n-]c2c(=O)n(-c3ccc(C)c(F)c3)c(=O)c1=2	ZINC000102819598	570839712	/nfs/dbraw/zinc/83/97/12/570839712.db2.gz	ASYVONOHGSXQKZ-IAGOWNOFSA-N	-2	3	352.369	3.194	50	0		FGAAHL
CC[Si](C)(C)Cc1c([O-])nc(SCC(=O)c2ccccc2)[n-]c1=O	ZINC000169794954	571254696	/nfs/dbraw/zinc/25/46/96/571254696.db2.gz	GWNOJZPNTDFHIO-UHFFFAOYSA-N	-2	3	362.527	3.261	50	0		FGAAHL
Cc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(Cl)cc4)c=3c2=O)cc1C	ZINC000033274051	494056007	/nfs/dbraw/zinc/05/60/07/494056007.db2.gz	XWODSCGRIDPNRQ-HZPDHXFCSA-N	-2	3	354.797	3.455	50	0		FGAAHL
O=C(CSC1=NC(=O)C(Cc2ccccc2)C([O-])=N1)c1cccc([O-])c1	ZINC000575443440	505977345	/nfs/dbraw/zinc/97/73/45/505977345.db2.gz	ADFQULODZRGHBL-UHFFFAOYSA-N	-2	3	368.414	3.159	50	0		FGAAHL
CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1	ZINC000046072830	570923535	/nfs/dbraw/zinc/92/35/35/570923535.db2.gz	GKEPKBXKBNFLHE-UHFFFAOYSA-N	-2	3	353.371	3.112	50	0		FGAAHL
Cc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)c1	ZINC000057119423	205235062	/nfs/dbraw/zinc/23/50/62/205235062.db2.gz	OJWPWATXBZMGFT-UHFFFAOYSA-N	-2	3	350.415	3.241	50	0		FGAAHL
Cc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(-c3ccnc(C)n3)c2)c1	ZINC000057117586	205235253	/nfs/dbraw/zinc/23/52/53/205235253.db2.gz	UBVQWXIASYMQFT-UHFFFAOYSA-N	-2	3	355.419	3.267	50	0		FGAAHL
CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc1	ZINC000563498328	568278197	/nfs/dbraw/zinc/27/81/97/568278197.db2.gz	NJEALGYLCHRDNC-UHFFFAOYSA-N	-3	3	369.826	3.209	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)cc1C	ZINC000102818303	570839350	/nfs/dbraw/zinc/83/93/50/570839350.db2.gz	DDSDFEOKADRKPV-RTBURBONSA-N	-2	3	360.417	3.290	50	0		FGAAHL
Cc1ccc(C2=NN(c3nc(C(=O)[O-])cs3)[C@@]([O-])(C(F)(F)F)C2)cc1	ZINC000005244305	493921337	/nfs/dbraw/zinc/92/13/37/493921337.db2.gz	VHCWVFZYHKEZAF-AWEZNQCLSA-N	-2	3	371.340	3.015	50	0		FGAAHL
Cc1ccc(-n2c(=O)c3[n-][n-]n(-c4cccc(Cl)c4)c=3c2=O)cc1F	ZINC000033114656	494045391	/nfs/dbraw/zinc/04/53/91/494045391.db2.gz	BKCJVSSQZJWMNS-HUUCEWRRSA-N	-2	3	358.760	3.285	50	0		FGAAHL
O=c1c2[n-][n-]n(-c3ccccc3Cl)c=2c(=O)n1-c1ccc2c(c1)CCC2	ZINC000102818757	570839722	/nfs/dbraw/zinc/83/97/22/570839722.db2.gz	JNCWVWSFZUVOEY-SJORKVTESA-N	-2	3	366.808	3.327	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c(C)c1	ZINC000102819046	209242866	/nfs/dbraw/zinc/24/28/66/209242866.db2.gz	JFGSWCHQTNAXKU-HOTGVXAUSA-N	-2	3	356.332	3.079	50	0		FGAAHL
CCOc1ccc(-n2[n-][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1	ZINC000101261231	209223228	/nfs/dbraw/zinc/22/32/28/209223228.db2.gz	SFKWDGMQFBBKTP-HZPDHXFCSA-N	-2	3	370.796	3.237	50	0		FGAAHL
O=C([O-])CCc1ccc(-c2ccc(F)cc2)n1NC(=O)c1ccc([O-])cc1	ZINC000004978001	207067465	/nfs/dbraw/zinc/06/74/65/207067465.db2.gz	VSMDRZUSXKWBBK-UHFFFAOYSA-N	-2	3	368.364	3.401	50	0		FGAAHL
COCCn1ccc2cc([N-]S(=O)(=O)c3cc(C)ccc3[O-])ccc21	ZINC000065530105	494211322	/nfs/dbraw/zinc/21/13/22/494211322.db2.gz	AQNNXGIUAWJUGP-UHFFFAOYSA-N	-2	3	360.435	3.103	50	0		FGAAHL
CCc1ccccc1-n1[n-][n-]c2c(=O)n(-c3ccc(C)c(F)c3)c(=O)c1=2	ZINC000102819596	570839698	/nfs/dbraw/zinc/83/96/98/570839698.db2.gz	ASYVONOHGSXQKZ-IRXDYDNUSA-N	-2	3	352.369	3.194	50	0		FGAAHL
CCOc1ccc(-n2[n-][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)cc1	ZINC000102819056	209242093	/nfs/dbraw/zinc/24/20/93/209242093.db2.gz	BSTPQPCGVYXRTA-QZTJIDSGSA-N	-2	3	364.405	3.200	50	0		FGAAHL
CCc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(Cl)cc4)c=3c2=O)cc1	ZINC000101260495	209222611	/nfs/dbraw/zinc/22/26/11/209222611.db2.gz	NQCMFAYXKZECCB-HZPDHXFCSA-N	-2	3	354.797	3.400	50	0		FGAAHL
CCCCc1c([O-])nc(Nc2nc(C)c3cc(C)c(C)cc3n2)[n-]c1=O	ZINC000008714272	207243724	/nfs/dbraw/zinc/24/37/24/207243724.db2.gz	IBHTZXRKJQUWNJ-UHFFFAOYSA-N	-2	3	353.426	3.430	50	0		FGAAHL
COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1	ZINC000058380967	493848032	/nfs/dbraw/zinc/84/80/32/493848032.db2.gz	CHRKFHWWKAMDOI-UHFFFAOYSA-N	-2	3	355.799	3.156	50	0		FGAAHL
CCC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[O-]	ZINC000012871099	494266779	/nfs/dbraw/zinc/26/67/79/494266779.db2.gz	HEVYXLWQQYLJHH-UHFFFAOYSA-N	-2	3	354.815	3.195	50	0		FGAAHL
Cc1ccc(-n2c([O-])c([C@@H]3NCCc4ccccc43)c(=O)[n-]c2=S)cc1	ZINC000020231203	494469483	/nfs/dbraw/zinc/46/94/83/494469483.db2.gz	JBXKIXCNUSEMPX-QGZVFWFLSA-N	-2	3	365.458	3.144	50	0		FGAAHL
Cc1cc(COc2ccc(C=Cc3nccc(=O)[n-]3)cc2)oc1C(=O)[O-]	ZINC000225478754	497064590	/nfs/dbraw/zinc/06/45/90/497064590.db2.gz	CARFMXBYPSGYDM-QPJJXVBHSA-N	-2	3	352.346	3.119	50	0		FGAAHL
Cc1nc(C=Cc2csc(-c3ccsc3)n2)[n-]c(=O)c1CC(=O)[O-]	ZINC000547762633	504215926	/nfs/dbraw/zinc/21/59/26/504215926.db2.gz	CVNAMTAFBGMRBP-IHWYPQMZSA-N	-2	3	359.432	3.473	50	0		FGAAHL
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c(C)c1	ZINC000047318163	209328819	/nfs/dbraw/zinc/32/88/19/209328819.db2.gz	AELHINLDTCABRG-UHFFFAOYSA-N	-2	3	369.826	3.464	50	0		FGAAHL
CCCCN(C)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1C(=O)[O-]	ZINC000033253353	208077525	/nfs/dbraw/zinc/07/75/25/208077525.db2.gz	VFMYXQQNUBODHD-UHFFFAOYSA-N	-2	3	362.451	3.422	50	0		FGAAHL
O=C([O-])CCc1[nH]nc(-c2ccc(O)cc2[O-])c1-c1nc2ccccc2[nH]1	ZINC000011867617	494194788	/nfs/dbraw/zinc/19/47/88/494194788.db2.gz	YTSMOADDTYREDY-UHFFFAOYSA-N	-2	3	364.361	3.048	50	0		FGAAHL
COc1cc(C=NNc2cccc(C(=O)[O-])c2)cc(Br)c1[O-]	ZINC000254483404	497348796	/nfs/dbraw/zinc/34/87/96/497348796.db2.gz	BRUKVMZDVXSQLA-UHFFFAOYSA-N	-2	3	365.183	3.308	50	0		FGAAHL
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)cc1	ZINC000001072095	219364590	/nfs/dbraw/zinc/36/45/90/219364590.db2.gz	IGJMLVNQBGCWEB-UHFFFAOYSA-N	-2	3	363.435	3.248	50	0		FGAAHL
CSc1cccc(-n2c(=O)c3[n-][n-]n(-c4ccc(F)cc4)c=3c2=O)c1	ZINC000102820773	209242853	/nfs/dbraw/zinc/24/28/53/209242853.db2.gz	KCHCIYRYTLKFQL-GJZGRUSLSA-N	-2	3	356.382	3.045	50	0		FGAAHL
CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1C(=O)[O-]	ZINC000033253638	208078514	/nfs/dbraw/zinc/07/85/14/208078514.db2.gz	UVHZBDLXAQDALR-UHFFFAOYSA-N	-2	3	362.451	3.340	50	0		FGAAHL
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1Cl	ZINC000040155212	208238446	/nfs/dbraw/zinc/23/84/46/208238446.db2.gz	VBTBOJUDEIFJQR-UHFFFAOYSA-N	-2	3	369.826	3.085	50	0		FGAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cc1C(C)C	ZINC000001424210	493794304	/nfs/dbraw/zinc/79/43/04/493794304.db2.gz	KDLBYDDUMWMHPC-UHFFFAOYSA-N	-2	3	363.435	3.247	50	0		FGAAHL
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)cc1Cl	ZINC000058377173	493847954	/nfs/dbraw/zinc/84/79/54/493847954.db2.gz	DVEQCKVRKDRLFA-UHFFFAOYSA-N	-2	3	369.826	3.221	50	0		FGAAHL
Cc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(F)cc4)c=3c2=O)cc1Cl	ZINC000101260314	209223196	/nfs/dbraw/zinc/22/31/96/209223196.db2.gz	SKRLZYFQXOUMLB-CABCVRRESA-N	-2	3	358.760	3.285	50	0		FGAAHL
CCN(CC)c1ccc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc1	ZINC000004115327	207001191	/nfs/dbraw/zinc/00/11/91/207001191.db2.gz	KFUBJHWGWLIIMK-UHFFFAOYSA-N	-2	3	355.442	3.187	50	0		FGAAHL
Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)ccc1OCC(=O)[O-]	ZINC000058368519	493846993	/nfs/dbraw/zinc/84/69/93/493846993.db2.gz	IRVGMWBKODIYAG-UHFFFAOYSA-N	-2	3	373.789	3.052	50	0		FGAAHL
Cc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(Cl)cc4)c=3c2=O)cc1F	ZINC000023125722	494550073	/nfs/dbraw/zinc/55/00/73/494550073.db2.gz	JNNPQJTYHCTLGC-LSDHHAIUSA-N	-2	3	358.760	3.285	50	0		FGAAHL
O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1	ZINC000096747866	495014538	/nfs/dbraw/zinc/01/45/38/495014538.db2.gz	VDNHUGKOFHBONL-BAQGIRSFSA-N	-2	3	355.774	3.378	50	0		FGAAHL
Cc1nc(C=Cc2csc(-c3ccsc3)n2)[n-]c(=O)c1CC(=O)[O-]	ZINC000170618831	495536193	/nfs/dbraw/zinc/53/61/93/495536193.db2.gz	CVNAMTAFBGMRBP-NSCUHMNNSA-N	-2	3	359.432	3.061	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(C)c(F)c4)c(=O)c2=3)cc1F	ZINC000102819379	209242777	/nfs/dbraw/zinc/24/27/77/209242777.db2.gz	GHNNRPJJBIKUMQ-HOTGVXAUSA-N	-2	3	356.332	3.079	50	0		FGAAHL
Cc1cc(C)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(Cl)cc4)c=3c2=O)c1	ZINC000101260737	209222784	/nfs/dbraw/zinc/22/27/84/209222784.db2.gz	CPMZNORZTYHKMT-HZPDHXFCSA-N	-2	3	354.797	3.455	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1F	ZINC000023125911	207835814	/nfs/dbraw/zinc/83/58/14/207835814.db2.gz	YQLOHWCMJVIQJI-HUUCEWRRSA-N	-2	3	358.760	3.285	50	0		FGAAHL
Cc1[n-]n(-c2ccccc2C)c(=O)c1C=Nc1ccc(O)c(C(=O)[O-])c1	ZINC000095470879	209055384	/nfs/dbraw/zinc/05/53/84/209055384.db2.gz	HDPUTGZLHUVQNT-XNTDXEJSSA-N	-2	3	351.362	3.117	50	0		FGAAHL
O=C1[N-]C(=S)SC1=Cc1ccc([O-])c(I)c1	ZINC000002302012	209913505	/nfs/dbraw/zinc/91/35/05/209913505.db2.gz	AFKGVSFCZZSXIN-XBXARRHUSA-N	-2	3	363.201	3.326	50	0		FGAAHL
O=c1c2[n-][n-]n(-c3ccc(Cl)cc3)c=2c(=O)n1-c1ccc2c(c1)CCC2	ZINC000101262544	209222715	/nfs/dbraw/zinc/22/27/15/209222715.db2.gz	BQTUJOWSIKHHNV-IRXDYDNUSA-N	-2	3	366.808	3.327	50	0		FGAAHL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Br	ZINC000013345519	494286409	/nfs/dbraw/zinc/28/64/09/494286409.db2.gz	BRDREXWYLIESEZ-UHFFFAOYSA-N	-2	3	374.187	3.087	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)cc1C	ZINC000102818300	570839414	/nfs/dbraw/zinc/83/94/14/570839414.db2.gz	DDSDFEOKADRKPV-RBUKOAKNSA-N	-2	3	360.417	3.290	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(C)c(F)c4)c(=O)c2=3)cc1C	ZINC000101260575	209222838	/nfs/dbraw/zinc/22/28/38/209222838.db2.gz	KMNJHYZWBIYVRN-DLBZAZTESA-N	-2	3	352.369	3.249	50	0		FGAAHL
CCOc1ccc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc1OCC	ZINC000004540783	207027150	/nfs/dbraw/zinc/02/71/50/207027150.db2.gz	UXKCQWZFZDBUQG-UHFFFAOYSA-N	-2	3	372.425	3.138	50	0		FGAAHL
CCOc1ccc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)c(OCC)c1	ZINC000006265618	207136104	/nfs/dbraw/zinc/13/61/04/207136104.db2.gz	HYRFYMALWDNBFT-UHFFFAOYSA-N	-2	3	372.425	3.138	50	0		FGAAHL
Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)ccc1OCC(=O)[O-]	ZINC000058377273	493848146	/nfs/dbraw/zinc/84/81/46/493848146.db2.gz	UTKSNSNASRMERI-UHFFFAOYSA-N	-2	3	373.789	3.052	50	0		FGAAHL
CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc3ccccc32)ccc1[O-]	ZINC000079001735	494390875	/nfs/dbraw/zinc/39/08/75/494390875.db2.gz	WVVIDGRKYMNOCC-UHFFFAOYSA-N	-2	3	356.403	3.305	50	0		FGAAHL
O=c1[n-]c(Nc2nc3ccccc3s2)nc([O-])c1Cc1ccccc1	ZINC000018043740	220221552	/nfs/dbraw/zinc/22/15/52/220221552.db2.gz	CVOKPXJNADYSFT-UHFFFAOYSA-N	-2	3	350.403	3.420	50	0		FGAAHL
CCc1ccccc1-n1[n-][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2	ZINC000101261240	222266495	/nfs/dbraw/zinc/26/64/95/222266495.db2.gz	GBCFTTBRQKJBIB-CVEARBPZSA-N	-2	3	354.797	3.400	50	0		FGAAHL
O=C1O[C@H](c2c(=O)[n-]c(=S)n(C3CCCCC3)c2[O-])c2ccccc21	ZINC000101337405	222269792	/nfs/dbraw/zinc/26/97/92/222269792.db2.gz	MLTGSSHWAKZJJP-AWEZNQCLSA-N	-2	3	358.419	3.376	50	0		FGAAHL
O=c1c2[n-][n-]n(-c3ccccc3Cl)c=2c(=O)n1-c1ccc2c(c1)CCC2	ZINC000102818755	222308570	/nfs/dbraw/zinc/30/85/70/222308570.db2.gz	JNCWVWSFZUVOEY-DLBZAZTESA-N	-2	3	366.808	3.327	50	0		FGAAHL
O=c1[n-]n(C2CCOCC2)c2c1[C@H](c1ccc([O-])c(Cl)c1)CC(=O)N2	ZINC000095472590	494978750	/nfs/dbraw/zinc/97/87/50/494978750.db2.gz	AYXKGKDIXKHZBR-NSHDSACASA-N	-2	3	363.801	3.011	50	0		FGAAHL
CCOC(=O)NC([N-]c1ccc(C(=O)[O-])cc1)(C(F)(F)F)C(F)(F)F	ZINC000001644561	210363381	/nfs/dbraw/zinc/36/33/81/210363381.db2.gz	OBYAPSBFZPVRQA-UHFFFAOYSA-N	-2	3	374.237	3.364	50	0		FGAAHL
Cc1ccc2nc(Nc3nc([O-])c(CCC(C)C)c(=O)[n-]3)nc(C)c2c1	ZINC000005094671	493913410	/nfs/dbraw/zinc/91/34/10/493913410.db2.gz	UWCLXRCRODUBBK-UHFFFAOYSA-N	-2	3	353.426	3.368	50	0		FGAAHL
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1	ZINC000005135109	493915339	/nfs/dbraw/zinc/91/53/39/493915339.db2.gz	OGNTXALROFCRPM-UHFFFAOYSA-N	-2	3	357.790	3.297	50	0		FGAAHL
CCOc1ccccc1-n1[n-][n-]c2c(=O)n(-c3cc(C)cc(C)c3)c(=O)c1=2	ZINC000102819294	570839731	/nfs/dbraw/zinc/83/97/31/570839731.db2.gz	UIGZSCNPMNRNLC-QZTJIDSGSA-N	-2	3	364.405	3.200	50	0		FGAAHL
O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccccc2)c(Cl)cc1Cl	ZINC000001196900	219388934	/nfs/dbraw/zinc/38/89/34/219388934.db2.gz	NLOHTPTUOBAQEO-UHFFFAOYSA-N	-2	3	360.218	3.170	50	0		FGAAHL
CCOc1ccc(-n2[n-][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)cc1	ZINC000023125746	211378085	/nfs/dbraw/zinc/37/80/85/211378085.db2.gz	BSTPQPCGVYXRTA-MSOLQXFVSA-N	-2	3	364.405	3.200	50	0		FGAAHL
COc1cccc(-n2[n-][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)c1	ZINC000096236011	222094059	/nfs/dbraw/zinc/09/40/59/222094059.db2.gz	ZRYINFCPTXLLGL-HOTGVXAUSA-N	-2	3	370.796	3.155	50	0		FGAAHL
CCOc1ccc(-n2[n-][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1	ZINC000101261229	222266106	/nfs/dbraw/zinc/26/61/06/222266106.db2.gz	SFKWDGMQFBBKTP-HOTGVXAUSA-N	-2	3	370.796	3.237	50	0		FGAAHL
Cc1ccc(-n2c(=O)c3[n-][n-]n(-c4cccc(Cl)c4)c=3c2=O)cc1F	ZINC000102819388	222308394	/nfs/dbraw/zinc/30/83/94/222308394.db2.gz	BKCJVSSQZJWMNS-LSDHHAIUSA-N	-2	3	358.760	3.285	50	0		FGAAHL
CSc1cccc(-n2c(=O)c3[n-][n-]n(-c4ccc(C)c(F)c4)c=3c2=O)c1	ZINC000102820785	222308782	/nfs/dbraw/zinc/30/87/82/222308782.db2.gz	SLNJWWJZHAUZIQ-HOTGVXAUSA-N	-2	3	370.409	3.354	50	0		FGAAHL
Cc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Oc3cnccn3)cc2)c1	ZINC000058161876	493828226	/nfs/dbraw/zinc/82/82/26/493828226.db2.gz	KANQGQKABNLICU-UHFFFAOYSA-N	-2	3	357.391	3.084	50	0		FGAAHL
CC1CCN(c2ccc([N-]S(=O)(=O)c3ccccc3)c(C(=O)[O-])c2)CC1	ZINC000033007165	494036212	/nfs/dbraw/zinc/03/62/12/494036212.db2.gz	MRFAXDBYEYCJSP-UHFFFAOYSA-N	-2	3	374.462	3.422	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(C)c(F)c4)c(=O)c2=3)cc1F	ZINC000033114655	494045368	/nfs/dbraw/zinc/04/53/68/494045368.db2.gz	GHNNRPJJBIKUMQ-CVEARBPZSA-N	-2	3	356.332	3.079	50	0		FGAAHL
CCOc1ccccc1-n1[n-][n-]c2c(=O)n(-c3cc(C)cc(C)c3)c(=O)c1=2	ZINC000033114710	494045487	/nfs/dbraw/zinc/04/54/87/494045487.db2.gz	UIGZSCNPMNRNLC-MSOLQXFVSA-N	-2	3	364.405	3.200	50	0		FGAAHL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c1C	ZINC000008105616	494068321	/nfs/dbraw/zinc/06/83/21/494068321.db2.gz	YLMZJZRQFHLNIZ-UHFFFAOYSA-N	-2	3	359.325	3.220	50	0		FGAAHL
Cc1cc(C)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(F)cc4F)c=3c2=O)c1	ZINC000102818943	570839705	/nfs/dbraw/zinc/83/97/05/570839705.db2.gz	SUORPZXKDQLHMM-HOTGVXAUSA-N	-2	3	356.332	3.079	50	0		FGAAHL
O=c1c2[n-][n-]n(-c3ccc(Cl)cc3)c=2c(=O)n1-c1ccc(F)c(F)c1	ZINC000102818939	222308978	/nfs/dbraw/zinc/30/89/78/222308978.db2.gz	CBFMXWSMJJZNPY-KGLIPLIRSA-N	-2	3	362.723	3.116	50	0		FGAAHL
CCn1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)c2ccccc21	ZINC000004450967	493877216	/nfs/dbraw/zinc/87/72/16/493877216.db2.gz	BUBNLDKHZYLSLK-UHFFFAOYSA-N	-2	3	351.410	3.316	50	0		FGAAHL
Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)ccc1OCC(=O)[O-]	ZINC000058377283	212008469	/nfs/dbraw/zinc/00/84/69/212008469.db2.gz	YRKMCWCSSOYGFS-UHFFFAOYSA-N	-2	3	373.789	3.052	50	0		FGAAHL
Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)ccc1OCC(=O)[O-]	ZINC000058370580	212007723	/nfs/dbraw/zinc/00/77/23/212007723.db2.gz	GWMARLJJZZOYLW-UHFFFAOYSA-N	-2	3	373.789	3.052	50	0		FGAAHL
Cc1cc(C)cc(-n2[n-][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)c1	ZINC000023126624	211378585	/nfs/dbraw/zinc/37/85/85/211378585.db2.gz	ZVVRNQJSRJTIDX-RTBURBONSA-N	-2	3	360.417	3.290	50	0		FGAAHL
O=c1[n-]c(=S)n(C2CCCCC2)c([O-])c1[C@H]1NCCc2ccccc21	ZINC000017028900	211176477	/nfs/dbraw/zinc/17/64/77/211176477.db2.gz	VGFVKAPQNJYIEN-INIZCTEOSA-N	-2	3	357.479	3.352	50	0		FGAAHL
Cc1cc([O-])c(CC(Cc2c([O-])cc(C)oc2=O)c2ccccc2)c(=O)o1	ZINC000016756388	211169149	/nfs/dbraw/zinc/16/91/49/211169149.db2.gz	YNAWHJWOFNNPCT-UHFFFAOYSA-N	-2	3	368.385	3.190	50	0		FGAAHL
COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccccc2[O-])cc1	ZINC000013000854	211018594	/nfs/dbraw/zinc/01/85/94/211018594.db2.gz	DHLCVPUTNYOQGN-UHFFFAOYSA-N	-2	3	370.434	3.351	50	0		FGAAHL
Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1Cl	ZINC000060800336	221132250	/nfs/dbraw/zinc/13/22/50/221132250.db2.gz	OVBFRKQHGIKMSH-UHFFFAOYSA-N	-2	3	361.753	3.426	50	0		FGAAHL
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)c1	ZINC000007785611	132371882	/nfs/dbraw/zinc/37/18/82/132371882.db2.gz	LYZKYIBLOUJJAM-UHFFFAOYSA-N	-2	3	360.435	3.176	50	0		FGAAHL
Cc1cc(C)cc(-n2c(=O)c3[n-][n-]n(-c4cccc(Cl)c4)c=3c2=O)c1	ZINC000101261277	222266772	/nfs/dbraw/zinc/26/67/72/222266772.db2.gz	AQRRLIBRHLUKPE-HOTGVXAUSA-N	-2	3	354.797	3.455	50	0		FGAAHL
CCOc1cc(/C=C/c2cc(C(=O)[O-])ncn2)cc(Br)c1[O-]	ZINC000084804945	494098420	/nfs/dbraw/zinc/09/84/20/494098420.db2.gz	PHQQGIUSXXKKBY-ONEGZZNKSA-N	-2	3	365.183	3.212	50	0		FGAAHL
COc1ccc(CNCc2ccc(C(=O)[O-])cc2)c(Br)c1[O-]	ZINC000170612876	495534456	/nfs/dbraw/zinc/53/44/56/495534456.db2.gz	CEATWTYDEVAGTB-UHFFFAOYSA-N	-2	3	366.211	3.151	50	0		FGAAHL
Cc1ccccc1-n1c([O-])c([C@H]2NCCc3ccccc32)c(=O)[n-]c1=S	ZINC000020149901	211269881	/nfs/dbraw/zinc/26/98/81/211269881.db2.gz	UUIHAZVNOWRMES-KRWDZBQOSA-N	-2	3	365.458	3.144	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(C)c(F)c4)c(=O)c2=3)cc1C	ZINC000101260586	222266723	/nfs/dbraw/zinc/26/67/23/222266723.db2.gz	KMNJHYZWBIYVRN-SJORKVTESA-N	-2	3	352.369	3.249	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(C)c(F)c4)c(=O)c2=3)cc1C	ZINC000101260581	222266866	/nfs/dbraw/zinc/26/68/66/222266866.db2.gz	KMNJHYZWBIYVRN-IRXDYDNUSA-N	-2	3	352.369	3.249	50	0		FGAAHL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-n2cccc2)ccc1F	ZINC000058183837	493831586	/nfs/dbraw/zinc/83/15/86/493831586.db2.gz	QMFHMWOUXFMPKY-UHFFFAOYSA-N	-2	3	374.393	3.424	50	0		FGAAHL
CSc1cccc(-n2c(=O)c3[n-][n-]n(-c4ccc(F)cc4)c=3c2=O)c1	ZINC000033274055	494055840	/nfs/dbraw/zinc/05/58/40/494055840.db2.gz	KCHCIYRYTLKFQL-HUUCEWRRSA-N	-2	3	356.382	3.045	50	0		FGAAHL
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)c(C)c1	ZINC000047383438	570886967	/nfs/dbraw/zinc/88/69/67/570886967.db2.gz	FMPAVKSZTHLCAZ-UHFFFAOYSA-N	-2	3	355.362	3.389	50	0		FGAAHL
CCCOC(=O)c1ccc(NC(=O)c2c([O-])[n-]c3ccccc3c2=O)cc1	ZINC000018122334	211191738	/nfs/dbraw/zinc/19/17/38/211191738.db2.gz	AIFXSRRCHBJEAC-UHFFFAOYSA-N	-2	3	366.373	3.053	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(C)c(F)c4)c(=O)c2=3)cc1F	ZINC000102819375	222309591	/nfs/dbraw/zinc/30/95/91/222309591.db2.gz	GHNNRPJJBIKUMQ-JKSUJKDBSA-N	-2	3	356.332	3.079	50	0		FGAAHL
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1	ZINC000008105591	494068221	/nfs/dbraw/zinc/06/82/21/494068221.db2.gz	RSMXOPBAQUYPCS-UHFFFAOYSA-N	-2	3	357.790	3.297	50	0		FGAAHL
Cc1cccc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1C	ZINC000102819147	570839671	/nfs/dbraw/zinc/83/96/71/570839671.db2.gz	AOXWQKPNYGNJOF-HZPDHXFCSA-N	-2	3	356.332	3.079	50	0		FGAAHL
Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C)ccc1OCC(=O)[O-]	ZINC000058377321	212008317	/nfs/dbraw/zinc/00/83/17/212008317.db2.gz	XEMDJHXDFFGCRM-UHFFFAOYSA-N	-2	3	369.826	3.221	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)cc1F	ZINC000102818531	222308922	/nfs/dbraw/zinc/30/89/22/222308922.db2.gz	MESUPMJHYXOYQA-QZTJIDSGSA-N	-2	3	364.380	3.121	50	0		FGAAHL
Cc1ccc(C)c(-n2[n-][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1	ZINC000102819262	222309607	/nfs/dbraw/zinc/30/96/07/222309607.db2.gz	URVULCJWMOZXJA-HZPDHXFCSA-N	-2	3	354.797	3.455	50	0		FGAAHL
O=C([N-]CCCCCCCCC[N-]C(=O)C(F)(F)F)C(F)(F)F	ZINC000004652623	493885511	/nfs/dbraw/zinc/88/55/11/493885511.db2.gz	PHNOKEIFKUVTES-UHFFFAOYSA-N	-2	3	350.303	3.074	50	0		FGAAHL
Cc1cc(C)cc(-n2[n-][n-]c3c(=O)n(-c4ccc(C)c(F)c4)c(=O)c2=3)c1	ZINC000033114651	494045397	/nfs/dbraw/zinc/04/53/97/494045397.db2.gz	CWSPEAJHAGJRQX-DLBZAZTESA-N	-2	3	352.369	3.249	50	0		FGAAHL
CCCOC(=O)c1ccccc1NC(=O)c1c([O-])[n-]c2ccccc2c1=O	ZINC000018116927	220224448	/nfs/dbraw/zinc/22/44/48/220224448.db2.gz	GAUWEFROKIGERO-UHFFFAOYSA-N	-2	3	366.373	3.053	50	0		FGAAHL
O=C([O-])c1ccccc1CC(=O)Nc1nc(-c2ccc(O)cc2[O-])cs1	ZINC000071284067	221338988	/nfs/dbraw/zinc/33/89/88/221338988.db2.gz	JHEBKGSKHZECPA-UHFFFAOYSA-N	-2	3	370.386	3.101	50	0		FGAAHL
COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1Cl	ZINC000013349106	494286186	/nfs/dbraw/zinc/28/61/86/494286186.db2.gz	ZYBTXKUOTCEJEL-UHFFFAOYSA-N	-2	3	355.799	3.156	50	0		FGAAHL
CC[C@H](C)c1c([O-])nc(SCC(=O)Nc2ccc(Cl)cc2)[n-]c1=O	ZINC000016662328	220189696	/nfs/dbraw/zinc/18/96/96/220189696.db2.gz	BYIMEXXKSFKHDE-VIFPVBQESA-N	-2	3	367.858	3.373	50	0		FGAAHL
Cc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(Cl)cc4)c=3c2=O)cc1F	ZINC000101260553	222266327	/nfs/dbraw/zinc/26/63/27/222266327.db2.gz	JNNPQJTYHCTLGC-HUUCEWRRSA-N	-2	3	358.760	3.285	50	0		FGAAHL
O=C([O-])CC[C@H]1CCCCN1Cc1cc(Cl)ccc1OCC(=O)[O-]	ZINC000097775404	222210915	/nfs/dbraw/zinc/21/09/15/222210915.db2.gz	NHRBXUPUVKCADZ-CQSZACIVSA-N	-2	3	355.818	3.023	50	0		FGAAHL
CSc1cccc(-n2c(=O)c3[n-][n-]n(-c4ccc(C)c(F)c4)c=3c2=O)c1	ZINC000102820790	222308427	/nfs/dbraw/zinc/30/84/27/222308427.db2.gz	SLNJWWJZHAUZIQ-CVEARBPZSA-N	-2	3	370.409	3.354	50	0		FGAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C(=O)[O-])cc1C	ZINC000033007275	494035645	/nfs/dbraw/zinc/03/56/45/494035645.db2.gz	ZYARSLMIQRFLIN-UHFFFAOYSA-N	-2	3	374.462	3.403	50	0		FGAAHL
Cc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCCC2)cc1C(=O)[O-]	ZINC000033007358	494036231	/nfs/dbraw/zinc/03/62/31/494036231.db2.gz	HZBFKKOCVBHJNG-UHFFFAOYSA-N	-2	3	360.435	3.094	50	0		FGAAHL
O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1	ZINC000013265508	220062227	/nfs/dbraw/zinc/06/22/27/220062227.db2.gz	JPJRCTQSBQPCNX-RMKNXTFCSA-N	-2	3	355.774	3.378	50	0		FGAAHL
Cc1cc(C)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(C)c(F)c4)c=3c2=O)c1	ZINC000101260778	222266941	/nfs/dbraw/zinc/26/69/41/222266941.db2.gz	YAGIFQLAPPAFPR-IRXDYDNUSA-N	-2	3	352.369	3.249	50	0		FGAAHL
Cc1ccc(-n2c(=O)c3[n-][n-]n(-c4cccc(F)c4)c=3c2=O)cc1Cl	ZINC000101277714	222267946	/nfs/dbraw/zinc/26/79/46/222267946.db2.gz	QHYRLTUKGOFTKC-GJZGRUSLSA-N	-2	3	358.760	3.285	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)cc1F	ZINC000102818526	222308822	/nfs/dbraw/zinc/30/88/22/222308822.db2.gz	MESUPMJHYXOYQA-ZWKOTPCHSA-N	-2	3	364.380	3.121	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c(C)c1	ZINC000102819049	222308844	/nfs/dbraw/zinc/30/88/44/222308844.db2.gz	JFGSWCHQTNAXKU-HZPDHXFCSA-N	-2	3	356.332	3.079	50	0		FGAAHL
O=C([O-])c1cc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)c(F)cc1F	ZINC000032935293	494030620	/nfs/dbraw/zinc/03/06/20/494030620.db2.gz	QSDNMZVIAIXZNU-UHFFFAOYSA-N	-2	3	365.357	3.392	50	0		FGAAHL
O=C([O-])c1ccc(Nc2ccc3cc(S(=O)(=O)[O-])cc([O-])c3c2)cc1	ZINC000022010168	220374198	/nfs/dbraw/zinc/37/41/98/220374198.db2.gz	DRPVWDDGKRHPKB-UHFFFAOYSA-N	-3	3	359.359	3.234	50	0		FGAAHL
Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1Br	ZINC000055311201	221065856	/nfs/dbraw/zinc/06/58/56/221065856.db2.gz	YKAKBNKNDIQFRZ-UHFFFAOYSA-N	-2	3	374.212	3.158	50	0		FGAAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1F	ZINC000055678508	221073334	/nfs/dbraw/zinc/07/33/34/221073334.db2.gz	ULXZJEJSZKWPCT-UHFFFAOYSA-N	-2	3	353.371	3.032	50	0		FGAAHL
CCc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(C)c(F)c4)c=3c2=O)cc1	ZINC000101260110	222266036	/nfs/dbraw/zinc/26/60/36/222266036.db2.gz	ZPBXAZTXSGRCNR-IAGOWNOFSA-N	-2	3	352.369	3.194	50	0		FGAAHL
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1	ZINC000007053790	493996731	/nfs/dbraw/zinc/99/67/31/493996731.db2.gz	MMMDMVFVGCDSIJ-UHFFFAOYSA-N	-2	3	361.297	3.084	50	0		FGAAHL
O=C([O-])c1ccc(OCc2nnc(C(=O)[N-]c3ccccc3F)s2)cc1	ZINC000034927200	494070656	/nfs/dbraw/zinc/07/06/56/494070656.db2.gz	LBQVXFAEOQZJRZ-UHFFFAOYSA-N	-2	3	373.365	3.207	50	0		FGAAHL
CCc1ccc(-n2c(=O)c3[n-][n-]n(-c4cccc(Cl)c4)c=3c2=O)cc1	ZINC000023125719	494550529	/nfs/dbraw/zinc/55/05/29/494550529.db2.gz	KFRUWVIAJUAASG-JKSUJKDBSA-N	-2	3	354.797	3.400	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)cc1C	ZINC000102818301	570839485	/nfs/dbraw/zinc/83/94/85/570839485.db2.gz	DDSDFEOKADRKPV-OALUTQOASA-N	-2	3	360.417	3.290	50	0		FGAAHL
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1ccc(C)cc1[O-]	ZINC000016229480	220181103	/nfs/dbraw/zinc/18/11/03/220181103.db2.gz	XVNCHKYCZDYVBU-UHFFFAOYSA-N	-2	3	369.396	3.198	50	0		FGAAHL
Cc1ccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c(Cl)c1	ZINC000058377197	221116960	/nfs/dbraw/zinc/11/69/60/221116960.db2.gz	QTDQKXRURPBZKQ-UHFFFAOYSA-N	-2	3	355.799	3.161	50	0		FGAAHL
COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1	ZINC000058377257	221117043	/nfs/dbraw/zinc/11/70/43/221117043.db2.gz	WZJQKCDRGLBSGU-UHFFFAOYSA-N	-2	3	355.799	3.156	50	0		FGAAHL
O=c1c2[n-][n-]n(-c3ccc(Cl)cc3)c=2c(=O)n1-c1ccc(F)c(F)c1	ZINC000102818936	222309185	/nfs/dbraw/zinc/30/91/85/222309185.db2.gz	CBFMXWSMJJZNPY-UONOGXRCSA-N	-2	3	362.723	3.116	50	0		FGAAHL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2Br)c(F)c1	ZINC000078938491	494381523	/nfs/dbraw/zinc/38/15/23/494381523.db2.gz	NNPGHTMBXLTIGW-UHFFFAOYSA-N	-2	3	374.187	3.087	50	0		FGAAHL
O=c1c2[n-][n-]n(-c3ccc(Cl)cc3)c=2c(=O)n1-c1ccc2c(c1)CCC2	ZINC000023126622	494550685	/nfs/dbraw/zinc/55/06/85/494550685.db2.gz	BQTUJOWSIKHHNV-SJORKVTESA-N	-2	3	366.808	3.327	50	0		FGAAHL
Cc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(Cl)cc4)c=3c2=O)cc1F	ZINC000101260543	222266704	/nfs/dbraw/zinc/26/67/04/222266704.db2.gz	JNNPQJTYHCTLGC-GJZGRUSLSA-N	-2	3	358.760	3.285	50	0		FGAAHL
CSc1cccc(-n2c(=O)c3[n-][n-]n(-c4ccc(C)c(F)c4)c=3c2=O)c1	ZINC000102820782	222309170	/nfs/dbraw/zinc/30/91/70/222309170.db2.gz	SLNJWWJZHAUZIQ-JKSUJKDBSA-N	-2	3	370.409	3.354	50	0		FGAAHL
Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)c1C	ZINC000004148030	493866471	/nfs/dbraw/zinc/86/64/71/493866471.db2.gz	PDYPYYNWWFAORU-UHFFFAOYSA-N	-2	3	363.435	3.184	50	0		FGAAHL
CCOC(=O)c1oc2cc([O-])cc([O-])c2c(=O)c1-c1ccc(OC)cc1	ZINC000005650679	493938386	/nfs/dbraw/zinc/93/83/86/493938386.db2.gz	WIXLQXLEPYJDRJ-UHFFFAOYSA-N	-2	3	356.330	3.057	50	0		FGAAHL
Cc1cc([N-]S(=O)(=O)c2ccccc2)ccc1-n1cccc1C(=O)[O-]	ZINC000072066821	494123734	/nfs/dbraw/zinc/12/37/34/494123734.db2.gz	FNDDRVYVFMLVQN-UHFFFAOYSA-N	-2	3	356.403	3.285	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)cc1F	ZINC000023126625	494550400	/nfs/dbraw/zinc/55/04/00/494550400.db2.gz	MESUPMJHYXOYQA-MSOLQXFVSA-N	-2	3	364.380	3.121	50	0		FGAAHL
Cc1cc(C)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(F)cc4F)c=3c2=O)c1	ZINC000102818946	570839788	/nfs/dbraw/zinc/83/97/88/570839788.db2.gz	SUORPZXKDQLHMM-CVEARBPZSA-N	-2	3	356.332	3.079	50	0		FGAAHL
Cc1cccc(-n2c([O-])c([C@@H]3NCCc4ccccc43)c(=O)[n-]c2=S)c1	ZINC000017194546	220208870	/nfs/dbraw/zinc/20/88/70/220208870.db2.gz	VDQCBMRSZSPSSL-QGZVFWFLSA-N	-2	3	365.458	3.144	50	0		FGAAHL
Cc1ccc(C)c(-n2[n-][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1	ZINC000096500374	222122559	/nfs/dbraw/zinc/12/25/59/222122559.db2.gz	URVULCJWMOZXJA-CVEARBPZSA-N	-2	3	354.797	3.455	50	0		FGAAHL
Cn1cc(C(=O)c2cc(F)ccc2[O-])cc1-c1nc2ccsc2c(=O)[n-]1	ZINC000009458368	494125026	/nfs/dbraw/zinc/12/50/26/494125026.db2.gz	OURPKLXBUOEWPF-UHFFFAOYSA-N	-2	3	369.377	3.066	50	0		FGAAHL
CC[C@@H](C)c1c([O-])nc(SCC(=O)Nc2ccc(Cl)cc2)[n-]c1=O	ZINC000001231056	219391704	/nfs/dbraw/zinc/39/17/04/219391704.db2.gz	BYIMEXXKSFKHDE-SECBINFHSA-N	-2	3	367.858	3.373	50	0		FGAAHL
O=C([O-])c1cc2c(c(-c3oc4ccc(Cl)cc4c(=O)c3[O-])c1)OCOC2	ZINC000004746762	493891230	/nfs/dbraw/zinc/89/12/30/493891230.db2.gz	BVECMBKHPKNVCL-UHFFFAOYSA-N	-2	3	374.732	3.384	50	0		FGAAHL
CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2cc(Cl)c([O-])c(Cl)c2)N1	ZINC000006849485	493983074	/nfs/dbraw/zinc/98/30/74/493983074.db2.gz	VJNANZCAAUPTBO-NSHDSACASA-N	-2	3	357.115	3.172	50	0		FGAAHL
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N(C)C)c(C(=O)[O-])c2)cc1C	ZINC000032962259	494032839	/nfs/dbraw/zinc/03/28/39/494032839.db2.gz	FZBMEXKQEDWDGB-UHFFFAOYSA-N	-2	3	362.451	3.177	50	0		FGAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C(=O)[O-])c(C)c1	ZINC000033007257	494035819	/nfs/dbraw/zinc/03/58/19/494035819.db2.gz	SUTBMCSMNCZLBW-UHFFFAOYSA-N	-2	3	374.462	3.403	50	0		FGAAHL
CCN(CC)c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1C(=O)[O-]	ZINC000033253651	494054979	/nfs/dbraw/zinc/05/49/79/494054979.db2.gz	ZIZSSNDPYWLKTM-UHFFFAOYSA-N	-2	3	366.414	3.171	50	0		FGAAHL
CCC[C@H](C)c1c([O-])nc(Nc2nc(C)c3cc(OC)ccc3n2)[n-]c1=O	ZINC000009136753	494116324	/nfs/dbraw/zinc/11/63/24/494116324.db2.gz	BHHWSIITXOXPHT-JTQLQIEISA-N	-2	3	369.425	3.383	50	0		FGAAHL
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1F	ZINC000075582311	494799572	/nfs/dbraw/zinc/79/95/72/494799572.db2.gz	CYLNMHNZTMTEDL-UHFFFAOYSA-N	-2	3	359.325	3.165	50	0		FGAAHL
Cc1cccc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1C	ZINC000102819144	570839994	/nfs/dbraw/zinc/83/99/94/570839994.db2.gz	AOXWQKPNYGNJOF-JKSUJKDBSA-N	-2	3	356.332	3.079	50	0		FGAAHL
O=C([O-])CCCOc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1F	ZINC000058281879	205268119	/nfs/dbraw/zinc/26/81/19/205268119.db2.gz	CMXVEOCCPMVUCQ-UHFFFAOYSA-N	-2	3	371.361	3.009	50	0		FGAAHL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1Cl	ZINC000013358698	206301226	/nfs/dbraw/zinc/30/12/26/206301226.db2.gz	PQYKQYINSZUUPP-UHFFFAOYSA-N	-2	3	355.799	3.156	50	0		FGAAHL
Nc1c(Cl)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1Cl	ZINC000013028099	494277172	/nfs/dbraw/zinc/27/71/72/494277172.db2.gz	SUXGPBOYQWZMED-UHFFFAOYSA-N	-2	3	361.206	3.075	50	0		FGAAHL
CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2[O-])c1=O	ZINC000100470122	495065186	/nfs/dbraw/zinc/06/51/86/495065186.db2.gz	VKFNOTOGYIVDGO-UHFFFAOYSA-N	-2	3	352.390	3.465	50	0		FGAAHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccccc1C(F)(F)F	ZINC000004613398	204150715	/nfs/dbraw/zinc/15/07/15/204150715.db2.gz	YQUAVUOQKFNMHJ-UHFFFAOYSA-N	-2	3	352.316	3.360	50	0		FGAAHL
Cc1cc(C)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(C)c(F)c4)c=3c2=O)c1	ZINC000023125744	204796223	/nfs/dbraw/zinc/79/62/23/204796223.db2.gz	YAGIFQLAPPAFPR-IAGOWNOFSA-N	-2	3	352.369	3.249	50	0		FGAAHL
CCOC(=O)c1c(C)c(Br)c([O-])c(Br)c1[O-]	ZINC000000644900	493767875	/nfs/dbraw/zinc/76/78/75/493767875.db2.gz	RVOPKMSNJRHIAQ-UHFFFAOYSA-N	-2	3	353.994	3.108	50	0		FGAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])cc1Cl	ZINC000058364653	493847205	/nfs/dbraw/zinc/84/72/05/493847205.db2.gz	HZELEPDFDFHTFF-UHFFFAOYSA-N	-2	3	355.799	3.156	50	0		FGAAHL
Cc1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1-n1cccc1C(=O)[O-]	ZINC000072066822	494123810	/nfs/dbraw/zinc/12/38/10/494123810.db2.gz	AYNPLIUATMZNBK-UHFFFAOYSA-N	-2	3	374.393	3.424	50	0		FGAAHL
Cc1cccc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1C	ZINC000102819145	570839762	/nfs/dbraw/zinc/83/97/62/570839762.db2.gz	AOXWQKPNYGNJOF-HOTGVXAUSA-N	-2	3	356.332	3.079	50	0		FGAAHL
O=c1c2[n-][n-]n(-c3cccc(Cl)c3)c=2c(=O)n1-c1ccc2c(c1)CCC2	ZINC000102818655	570839771	/nfs/dbraw/zinc/83/97/71/570839771.db2.gz	SIPUHKWDYZCGDT-IRXDYDNUSA-N	-2	3	366.808	3.327	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1Cl	ZINC000102818510	570839903	/nfs/dbraw/zinc/83/99/03/570839903.db2.gz	OCUHZCNOTJRCQH-HUUCEWRRSA-N	-2	3	358.760	3.285	50	0		FGAAHL
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1Cl	ZINC000007708612	206245453	/nfs/dbraw/zinc/24/54/53/206245453.db2.gz	LSIIZOPESLKIDH-UHFFFAOYSA-N	-2	3	355.799	3.156	50	0		FGAAHL
O=c1c2[n-][n-]n(-c3ccccc3Cl)c=2c(=O)n1-c1ccc2c(c1)CCC2	ZINC000033114690	494045244	/nfs/dbraw/zinc/04/52/44/494045244.db2.gz	JNCWVWSFZUVOEY-IAGOWNOFSA-N	-2	3	366.808	3.327	50	0		FGAAHL
O=C([O-])C1([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCCC1	ZINC000013262884	494283509	/nfs/dbraw/zinc/28/35/09/494283509.db2.gz	NUUZGHWSDNRONM-UHFFFAOYSA-N	-2	3	352.239	3.059	50	0		FGAAHL
O=C([O-])CC[C@@H]1CCCCN1Cc1cc(Cl)ccc1OCC(=O)[O-]	ZINC000097775406	495045788	/nfs/dbraw/zinc/04/57/88/495045788.db2.gz	NHRBXUPUVKCADZ-AWEZNQCLSA-N	-2	3	355.818	3.023	50	0		FGAAHL
Cc1ccc(-n2c(=O)c3[n-][n-]n(-c4cccc(F)c4)c=3c2=O)cc1Cl	ZINC000101277717	495068035	/nfs/dbraw/zinc/06/80/35/495068035.db2.gz	QHYRLTUKGOFTKC-CABCVRRESA-N	-2	3	358.760	3.285	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(C)c(F)c4)c(=O)c2=3)c(C)c1	ZINC000102819137	570839745	/nfs/dbraw/zinc/83/97/45/570839745.db2.gz	WCYZXIZBFPOVLI-IRXDYDNUSA-N	-2	3	352.369	3.249	50	0		FGAAHL
Cc1ccc(-n2c(SCC(=O)[O-])nnc2-c2ccccc2[O-])c(C)c1	ZINC000006672122	204260577	/nfs/dbraw/zinc/26/05/77/204260577.db2.gz	QYMXNYYKLXSZLB-UHFFFAOYSA-N	-2	3	355.419	3.433	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1C	ZINC000101260643	495068157	/nfs/dbraw/zinc/06/81/57/495068157.db2.gz	IMCKDQSZHOFHBG-HZPDHXFCSA-N	-2	3	354.797	3.455	50	0		FGAAHL
COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cccs3)C2)c([O-])c1	ZINC000253392483	497330338	/nfs/dbraw/zinc/33/03/38/497330338.db2.gz	CQGYAICZAHWVLB-AWEZNQCLSA-N	-2	3	374.418	3.005	50	0		FGAAHL
Cc1ccc(C)c(-n2[n-][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1	ZINC000102819259	570839869	/nfs/dbraw/zinc/83/98/69/570839869.db2.gz	URVULCJWMOZXJA-JKSUJKDBSA-N	-2	3	354.797	3.455	50	0		FGAAHL
[O-]c1c(Br)c([O-])c(Br)c(O)c1Br	ZINC000001657279	695536093	/nfs/dbraw/zinc/53/60/93/695536093.db2.gz	FVXWNUUQRAHIRN-UHFFFAOYSA-N	-2	3	362.799	3.091	50	0		FGAAHL
Cc1c(CC(=O)NCCC2=CCCCC2)c(=O)oc2cc([O-])cc([O-])c12	ZINC000005347497	204204464	/nfs/dbraw/zinc/20/44/64/204204464.db2.gz	RSSLYMGUEIXYND-UHFFFAOYSA-N	-2	3	357.406	3.062	50	0		FGAAHL
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1	ZINC000007814567	206245797	/nfs/dbraw/zinc/24/57/97/206245797.db2.gz	LOFLXZFOLSGGLE-UHFFFAOYSA-N	-2	3	357.790	3.297	50	0		FGAAHL
CCc1ccc(-n2c(=O)c3[n-][n-]n(-c4cccc(Cl)c4)c=3c2=O)cc1	ZINC000101260513	495068111	/nfs/dbraw/zinc/06/81/11/495068111.db2.gz	KFRUWVIAJUAASG-HOTGVXAUSA-N	-2	3	354.797	3.400	50	0		FGAAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1	ZINC000003885960	204113571	/nfs/dbraw/zinc/11/35/71/204113571.db2.gz	CODBPADEEKTOCH-UHFFFAOYSA-N	-2	3	355.799	3.238	50	0		FGAAHL
Cc1[n-][nH]c(=O)c1[C@H](c1c(C)[n-]oc1=O)c1cccc(Br)c1	ZINC000004625870	204151304	/nfs/dbraw/zinc/15/13/04/204151304.db2.gz	SDFZNWZYTBOKJV-CYBMUJFWSA-N	-2	3	364.199	3.368	50	0		FGAAHL
Cc1c(CC(=O)NCc2ccccc2Cl)c(=O)oc2cc([O-])cc([O-])c12	ZINC000005349007	204204392	/nfs/dbraw/zinc/20/43/92/204204392.db2.gz	FCZUMDBSSSJNHC-UHFFFAOYSA-N	-2	3	373.792	3.025	50	0		FGAAHL
Cc1ccccc1-n1c([O-])c([C@@H]2NCCc3ccccc32)c(=O)[n-]c1=S	ZINC000020149900	220316621	/nfs/dbraw/zinc/31/66/21/220316621.db2.gz	UUIHAZVNOWRMES-QGZVFWFLSA-N	-2	3	365.458	3.144	50	0		FGAAHL
O=C(Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[O-])C1CC1	ZINC000013001525	494275205	/nfs/dbraw/zinc/27/52/05/494275205.db2.gz	SSGZUVLWACCLBM-UHFFFAOYSA-N	-2	3	366.826	3.195	50	0		FGAAHL
Cc1cc(C)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(Cl)cc4)c=3c2=O)c1	ZINC000023125739	494550350	/nfs/dbraw/zinc/55/03/50/494550350.db2.gz	CPMZNORZTYHKMT-JKSUJKDBSA-N	-2	3	354.797	3.455	50	0		FGAAHL
CCOc1cc(/C=C\c2cc(C(=O)[O-])ncn2)cc(Br)c1[O-]	ZINC000098063066	495051440	/nfs/dbraw/zinc/05/14/40/495051440.db2.gz	PHQQGIUSXXKKBY-ARJAWSKDSA-N	-2	3	365.183	3.212	50	0		FGAAHL
CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cc1	ZINC000058355191	205271871	/nfs/dbraw/zinc/27/18/71/205271871.db2.gz	QPQLWIJFXSHJCJ-UHFFFAOYSA-N	-2	3	361.419	3.073	50	0		FGAAHL
Cc1cc(C(=O)[O-])c([O-])c(S(=O)(=O)N(C)c2ccc3ccccc3c2)c1	ZINC000058377306	205272736	/nfs/dbraw/zinc/27/27/36/205272736.db2.gz	YRBPYPFMOHRWMF-UHFFFAOYSA-N	-2	3	371.414	3.377	50	0		FGAAHL
Cc1cc([N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3)cs2)no1	ZINC000006681790	206203631	/nfs/dbraw/zinc/20/36/31/206203631.db2.gz	MCUMPNLZXXKCIC-UHFFFAOYSA-N	-2	3	363.420	3.098	50	0		FGAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1C(=O)[O-]	ZINC000013348678	206301546	/nfs/dbraw/zinc/30/15/46/206301546.db2.gz	XPBQRBDPRIKTMM-UHFFFAOYSA-N	-2	3	370.224	3.257	50	0		FGAAHL
CCc1ccccc1-n1[n-][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2	ZINC000023125913	494550418	/nfs/dbraw/zinc/55/04/18/494550418.db2.gz	GBCFTTBRQKJBIB-HZPDHXFCSA-N	-2	3	354.797	3.400	50	0		FGAAHL
CCCCn1c2ccccc2c([O-])c(-c2nc3ccccc3c(=O)[n-]2)c1=O	ZINC000100329699	495064749	/nfs/dbraw/zinc/06/47/49/495064749.db2.gz	IDYVZIWJWFDPKZ-UHFFFAOYSA-N	-2	3	361.401	3.411	50	0		FGAAHL
O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cccc(Cl)c3F)c1)CCC2	ZINC000058355588	205271613	/nfs/dbraw/zinc/27/16/13/205271613.db2.gz	WXAFNMBTNCWOGM-UHFFFAOYSA-N	-2	3	369.801	3.467	50	0		FGAAHL
Cc1ccc(-n2c(=O)c3[n-][n-]n(-c4cccc(Cl)c4)c=3c2=O)cc1F	ZINC000102819386	570839944	/nfs/dbraw/zinc/83/99/44/570839944.db2.gz	BKCJVSSQZJWMNS-CABCVRRESA-N	-2	3	358.760	3.285	50	0		FGAAHL
CSc1cccc(-n2c(=O)c3[n-][n-]n(-c4ccc(F)cc4)c=3c2=O)c1	ZINC000102820775	209242250	/nfs/dbraw/zinc/24/22/50/209242250.db2.gz	KCHCIYRYTLKFQL-CABCVRRESA-N	-2	3	356.382	3.045	50	0		FGAAHL
Cc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(Cl)cc4)c=3c2=O)cc1C	ZINC000102820636	209242068	/nfs/dbraw/zinc/24/20/68/209242068.db2.gz	XWODSCGRIDPNRQ-JKSUJKDBSA-N	-2	3	354.797	3.455	50	0		FGAAHL
CCCNc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000095465994	209055926	/nfs/dbraw/zinc/05/59/26/209055926.db2.gz	FRNDLTYOGMAASB-UHFFFAOYSA-N	-2	3	366.414	3.455	50	0		FGAAHL
Cc1ccc(C2=NN(c3nc(C(=O)[O-])cs3)[C@]([O-])(C(F)(F)F)C2)cc1	ZINC000005244299	493920971	/nfs/dbraw/zinc/92/09/71/493920971.db2.gz	VHCWVFZYHKEZAF-CQSZACIVSA-N	-2	3	371.340	3.015	50	0		FGAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1Cl	ZINC000032589624	493998266	/nfs/dbraw/zinc/99/82/66/493998266.db2.gz	SRMGFKHFXGUVQV-UHFFFAOYSA-N	-2	3	355.799	3.156	50	0		FGAAHL
CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000170591212	495530549	/nfs/dbraw/zinc/53/05/49/495530549.db2.gz	YJWKCAOQBQBQNZ-UHFFFAOYSA-N	-2	3	358.416	3.207	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(C)c(F)c4)c(=O)c2=3)c(C)c1	ZINC000102819134	570839779	/nfs/dbraw/zinc/83/97/79/570839779.db2.gz	WCYZXIZBFPOVLI-DLBZAZTESA-N	-2	3	352.369	3.249	50	0		FGAAHL
Cc1ccc(-n2c(=O)c3[n-][n-]n(-c4cccc(Cl)c4)c=3c2=O)cc1F	ZINC000102819384	209242115	/nfs/dbraw/zinc/24/21/15/209242115.db2.gz	BKCJVSSQZJWMNS-GJZGRUSLSA-N	-2	3	358.760	3.285	50	0		FGAAHL
Cc1cc(C)cc(-n2c(=O)c3[n-][n-]n(-c4cccc(Cl)c4)c=3c2=O)c1	ZINC000101261278	209223291	/nfs/dbraw/zinc/22/32/91/209223291.db2.gz	AQRRLIBRHLUKPE-CVEARBPZSA-N	-2	3	354.797	3.455	50	0		FGAAHL
Cc1cc(C)cc(-n2[n-][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)c1	ZINC000101262564	209222907	/nfs/dbraw/zinc/22/29/07/209222907.db2.gz	ZVVRNQJSRJTIDX-RBUKOAKNSA-N	-2	3	360.417	3.290	50	0		FGAAHL
Cc1ccc2nc(NC(=O)c3c([O-])[n-]c4ccccc4c3=O)sc2c1	ZINC000006813357	207168502	/nfs/dbraw/zinc/16/85/02/207168502.db2.gz	DHGYIYSTAVWRNE-UHFFFAOYSA-N	-2	3	351.387	3.404	50	0		FGAAHL
O=C([O-])c1cccc(CN2C(=S)N=NC2c2cc(Cl)ccc2[O-])c1	ZINC000012409155	207372189	/nfs/dbraw/zinc/37/21/89/207372189.db2.gz	YLTJKYMSNQBJAK-UHFFFAOYSA-N	-2	3	361.810	3.339	50	0		FGAAHL
O=C([O-])c1cc([N-]S(=O)(=O)c2cccc3ncccc32)c(F)cc1F	ZINC000058366593	493846939	/nfs/dbraw/zinc/84/69/39/493846939.db2.gz	RSJAONIQZKQVMK-UHFFFAOYSA-N	-2	3	364.329	3.012	50	0		FGAAHL
O=C(Nc1cccc(Br)c1)c1c([O-])[n-]c2ccccc2c1=O	ZINC000018069188	494423326	/nfs/dbraw/zinc/42/33/26/494423326.db2.gz	UCCUKBQMSKZUOG-UHFFFAOYSA-N	-2	3	359.179	3.249	50	0		FGAAHL
COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cccs3)C2)c([O-])c1	ZINC000253392484	497330352	/nfs/dbraw/zinc/33/03/52/497330352.db2.gz	CQGYAICZAHWVLB-CQSZACIVSA-N	-2	3	374.418	3.005	50	0		FGAAHL
O=c1c2[n-][n-]n(-c3ccc(Cl)cc3)c=2c(=O)n1-c1ccc2c(c1)CCC2	ZINC000101262549	209223207	/nfs/dbraw/zinc/22/32/07/209223207.db2.gz	BQTUJOWSIKHHNV-IAGOWNOFSA-N	-2	3	366.808	3.327	50	0		FGAAHL
O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccccc2Br)c1	ZINC000012735388	494253086	/nfs/dbraw/zinc/25/30/86/494253086.db2.gz	KAHPVJITIDRXOZ-UHFFFAOYSA-N	-2	3	374.187	3.087	50	0		FGAAHL
Cc1cc(=O)[n-]c(-c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)n1	ZINC000102510043	570833298	/nfs/dbraw/zinc/83/32/98/570833298.db2.gz	AMQVKSZOROUROF-UHFFFAOYSA-N	-2	3	369.446	3.163	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c(C)c1	ZINC000102819045	209242204	/nfs/dbraw/zinc/24/22/04/209242204.db2.gz	JFGSWCHQTNAXKU-JKSUJKDBSA-N	-2	3	356.332	3.079	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1C	ZINC000101260640	209222865	/nfs/dbraw/zinc/22/28/65/209222865.db2.gz	IMCKDQSZHOFHBG-HOTGVXAUSA-N	-2	3	354.797	3.455	50	0		FGAAHL
CCN(CC)c1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1C(=O)[O-]	ZINC000033253659	208078058	/nfs/dbraw/zinc/07/80/58/208078058.db2.gz	ZXSAHVYWJKNKJA-UHFFFAOYSA-N	-2	3	362.451	3.340	50	0		FGAAHL
CSc1cccc(-n2c(=O)c3[n-][n-]n(-c4ccc(C)c(F)c4)c=3c2=O)c1	ZINC000033274056	208081764	/nfs/dbraw/zinc/08/17/64/208081764.db2.gz	SLNJWWJZHAUZIQ-HZPDHXFCSA-N	-2	3	370.409	3.354	50	0		FGAAHL
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1	ZINC000058377233	493848108	/nfs/dbraw/zinc/84/81/08/493848108.db2.gz	PCVJIDRIBSISID-UHFFFAOYSA-N	-2	3	369.826	3.221	50	0		FGAAHL
Cc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(Cl)cc4)c=3c2=O)cc1C	ZINC000102820632	209242929	/nfs/dbraw/zinc/24/29/29/209242929.db2.gz	XWODSCGRIDPNRQ-HOTGVXAUSA-N	-2	3	354.797	3.455	50	0		FGAAHL
CCOc1ccc(-n2[n-][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)cc1	ZINC000102819053	209241806	/nfs/dbraw/zinc/24/18/06/209241806.db2.gz	BSTPQPCGVYXRTA-ZWKOTPCHSA-N	-2	3	364.405	3.200	50	0		FGAAHL
Cc1cc(C)cc(-n2[n-][n-]c3c(=O)n(-c4ccc(C)c(F)c4)c(=O)c2=3)c1	ZINC000101970546	209232582	/nfs/dbraw/zinc/23/25/82/209232582.db2.gz	CWSPEAJHAGJRQX-SJORKVTESA-N	-2	3	352.369	3.249	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1C	ZINC000101260639	209223284	/nfs/dbraw/zinc/22/32/84/209223284.db2.gz	IMCKDQSZHOFHBG-JKSUJKDBSA-N	-2	3	354.797	3.455	50	0		FGAAHL
CCc1ccccc1-n1[n-][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2	ZINC000101261234	209223444	/nfs/dbraw/zinc/22/34/44/209223444.db2.gz	GBCFTTBRQKJBIB-JKSUJKDBSA-N	-2	3	354.797	3.400	50	0		FGAAHL
Cc1ccc(-n2c(=O)c3[n-][n-]n(-c4cccc(F)c4)c=3c2=O)cc1Cl	ZINC000101277719	209223132	/nfs/dbraw/zinc/22/31/32/209223132.db2.gz	QHYRLTUKGOFTKC-LSDHHAIUSA-N	-2	3	358.760	3.285	50	0		FGAAHL
Cc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(Cl)cc4)c=3c2=O)cc1F	ZINC000101260546	209222719	/nfs/dbraw/zinc/22/27/19/209222719.db2.gz	JNNPQJTYHCTLGC-CABCVRRESA-N	-2	3	358.760	3.285	50	0		FGAAHL
Cc1ccc([C@@H]2CC(c3c([O-])[n-]c(=O)sc3=O)=Nc3ccccc3N2)o1	ZINC000035622691	208132176	/nfs/dbraw/zinc/13/21/76/208132176.db2.gz	DXINWUAZPOEARX-LBPRGKRZSA-N	-2	3	369.402	3.081	50	0		FGAAHL
O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cc(Cl)ccc3F)c1)CCC2	ZINC000058357562	208581546	/nfs/dbraw/zinc/58/15/46/208581546.db2.gz	RWSDSKSEZIUXAS-UHFFFAOYSA-N	-2	3	369.801	3.467	50	0		FGAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c(C)c1	ZINC000058377271	493847965	/nfs/dbraw/zinc/84/79/65/493847965.db2.gz	XHAXKZSCELTIQF-UHFFFAOYSA-N	-2	3	355.799	3.156	50	0		FGAAHL
CCOc1ccc(Cl)cc1C(c1c(C)[n-][nH]c1=O)c1c(C)[n-][nH]c1=O	ZINC000019535367	494449171	/nfs/dbraw/zinc/44/91/71/494449171.db2.gz	OYPLZABZFCCSOS-UHFFFAOYSA-N	-2	3	362.817	3.393	50	0		FGAAHL
O=c1c2[n-][n-]n(-c3cccc(Cl)c3)c=2c(=O)n1-c1ccc2c(c1)CCC2	ZINC000102818653	209242767	/nfs/dbraw/zinc/24/27/67/209242767.db2.gz	SIPUHKWDYZCGDT-DLBZAZTESA-N	-2	3	366.808	3.327	50	0		FGAAHL
Cc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(F)cc4)c=3c2=O)cc1Cl	ZINC000101260312	209223143	/nfs/dbraw/zinc/22/31/43/209223143.db2.gz	SKRLZYFQXOUMLB-GJZGRUSLSA-N	-2	3	358.760	3.285	50	0		FGAAHL
Cc1cccc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1C	ZINC000033114696	208072712	/nfs/dbraw/zinc/07/27/12/208072712.db2.gz	AOXWQKPNYGNJOF-CVEARBPZSA-N	-2	3	356.332	3.079	50	0		FGAAHL
Cc1ccc([C@H]2CC(c3c([O-])[n-]c(=O)sc3=O)=Nc3ccccc3N2)o1	ZINC000035622692	208133021	/nfs/dbraw/zinc/13/30/21/208133021.db2.gz	DXINWUAZPOEARX-GFCCVEGCSA-N	-2	3	369.402	3.081	50	0		FGAAHL
O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccc4c(c3)CCC4)c1)CCC2	ZINC000058356926	493846010	/nfs/dbraw/zinc/84/60/10/493846010.db2.gz	VLOKVEQZIMMOOA-UHFFFAOYSA-N	-2	3	357.431	3.163	50	0		FGAAHL
Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1	ZINC000058368571	493847060	/nfs/dbraw/zinc/84/70/60/493847060.db2.gz	QSFCWTVZBBYKSM-UHFFFAOYSA-N	-2	3	369.826	3.221	50	0		FGAAHL
Cc1cccc(-n2c([O-])c([C@H]3NCCc4ccccc43)c(=O)[n-]c2=S)c1	ZINC000017194549	494409569	/nfs/dbraw/zinc/40/95/69/494409569.db2.gz	VDQCBMRSZSPSSL-KRWDZBQOSA-N	-2	3	365.458	3.144	50	0		FGAAHL
Cc1c2ccccc2oc1C(=O)[N-]n1c(=O)c2ccccc2[n-]c1=S	ZINC000100195375	209210782	/nfs/dbraw/zinc/21/07/82/209210782.db2.gz	RSCRTNRSBYQRMK-UHFFFAOYSA-N	-2	3	351.387	3.498	50	0		FGAAHL
O=C([O-])CCc1ccc(-c2ccccc2)n1NC(=O)c1ccc([O-])cc1	ZINC000000559564	493765652	/nfs/dbraw/zinc/76/56/52/493765652.db2.gz	ZFCNICANCQSBML-UHFFFAOYSA-N	-2	3	350.374	3.262	50	0		FGAAHL
Cc1ccc(NC(=O)Cc2c(C)c3c([O-])cc([O-])cc3oc2=O)cc1C	ZINC000013693801	494293395	/nfs/dbraw/zinc/29/33/95/494293395.db2.gz	VSGVWGAGSOBQSK-UHFFFAOYSA-N	-2	3	353.374	3.311	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1C	ZINC000023125731	494550570	/nfs/dbraw/zinc/55/05/70/494550570.db2.gz	IMCKDQSZHOFHBG-CVEARBPZSA-N	-2	3	354.797	3.455	50	0		FGAAHL
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1	ZINC000057476956	494759340	/nfs/dbraw/zinc/75/93/40/494759340.db2.gz	CUQLLXHNLAVDHX-UHFFFAOYSA-N	-2	3	363.288	3.344	50	0		FGAAHL
COc1cc(/C=C\c2ncc(C(=O)[O-])s2)cc(Br)c1[O-]	ZINC000096402125	495011925	/nfs/dbraw/zinc/01/19/25/495011925.db2.gz	BKJTZUWWSHMEEB-IHWYPQMZSA-N	-2	3	356.197	3.488	50	0		FGAAHL
CC(C)c1cc(C(=O)N2CCc3[nH]nc(C(=O)[O-])c3C2)c([O-])c(C(C)C)c1	ZINC000217204775	496996053	/nfs/dbraw/zinc/99/60/53/496996053.db2.gz	IGHRVWWIXOOGKL-UHFFFAOYSA-N	-2	3	371.437	3.259	50	0		FGAAHL
CCc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(Cl)cc4)c=3c2=O)cc1	ZINC000101260489	209222881	/nfs/dbraw/zinc/22/28/81/209222881.db2.gz	NQCMFAYXKZECCB-HOTGVXAUSA-N	-2	3	354.797	3.400	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c(C)c1	ZINC000033114695	208072859	/nfs/dbraw/zinc/07/28/59/208072859.db2.gz	JFGSWCHQTNAXKU-CVEARBPZSA-N	-2	3	356.332	3.079	50	0		FGAAHL
Cc1ccc(C)c(-n2[n-][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1	ZINC000033114678	208073146	/nfs/dbraw/zinc/07/31/46/208073146.db2.gz	URVULCJWMOZXJA-HOTGVXAUSA-N	-2	3	354.797	3.455	50	0		FGAAHL
COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(C)cc2[O-])cc1	ZINC000012856693	494265859	/nfs/dbraw/zinc/26/58/59/494265859.db2.gz	ZLUIXUCKPFEBKN-UHFFFAOYSA-N	-2	3	370.434	3.269	50	0		FGAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1C(=O)[O-]	ZINC000013349184	220064764	/nfs/dbraw/zinc/06/47/64/220064764.db2.gz	XYEYNXCLEAAJTQ-UHFFFAOYSA-N	-2	3	357.334	3.095	50	0		FGAAHL
COc1cccc(-n2[n-][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)c1	ZINC000023125721	211377525	/nfs/dbraw/zinc/37/75/25/211377525.db2.gz	ZRYINFCPTXLLGL-HZPDHXFCSA-N	-2	3	370.796	3.155	50	0		FGAAHL
Cc1cc(C)cc(-n2[n-][n-]c3c(=O)n(-c4ccc(C)c(F)c4)c(=O)c2=3)c1	ZINC000101970541	222288692	/nfs/dbraw/zinc/28/86/92/222288692.db2.gz	CWSPEAJHAGJRQX-IRXDYDNUSA-N	-2	3	352.369	3.249	50	0		FGAAHL
Cc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(Cl)cc4)c=3c2=O)cc1C	ZINC000102820634	222308409	/nfs/dbraw/zinc/30/84/09/222308409.db2.gz	XWODSCGRIDPNRQ-CVEARBPZSA-N	-2	3	354.797	3.455	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)cc1F	ZINC000102818528	222308816	/nfs/dbraw/zinc/30/88/16/222308816.db2.gz	MESUPMJHYXOYQA-ROUUACIJSA-N	-2	3	364.380	3.121	50	0		FGAAHL
O=c1c2[n-][n-]n(-c3ccccc3Cl)c=2c(=O)n1-c1ccc2c(c1)CCC2	ZINC000102818756	222309294	/nfs/dbraw/zinc/30/92/94/222309294.db2.gz	JNCWVWSFZUVOEY-IRXDYDNUSA-N	-2	3	366.808	3.327	50	0		FGAAHL
Cc1cc(C)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(F)cc4F)c=3c2=O)c1	ZINC000033114709	494045287	/nfs/dbraw/zinc/04/52/87/494045287.db2.gz	SUORPZXKDQLHMM-JKSUJKDBSA-N	-2	3	356.332	3.079	50	0		FGAAHL
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)cc1	ZINC000035287201	494072850	/nfs/dbraw/zinc/07/28/50/494072850.db2.gz	QQUFTQIFWTUEIV-UHFFFAOYSA-N	-2	3	357.790	3.297	50	0		FGAAHL
O=C(Nc1ccc(Br)cc1)c1c([O-])[n-]c2ccccc2c1=O	ZINC000008971674	494110442	/nfs/dbraw/zinc/11/04/42/494110442.db2.gz	HTHWDPRIOFERTK-UHFFFAOYSA-N	-2	3	359.179	3.249	50	0		FGAAHL
O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1	ZINC000013345835	220064406	/nfs/dbraw/zinc/06/44/06/220064406.db2.gz	VDNHUGKOFHBONL-FPYGCLRLSA-N	-2	3	355.774	3.378	50	0		FGAAHL
O=C([O-])CCc1ccc(-c2cccs2)n1NC(=O)c1ccc([O-])cc1	ZINC000000801260	210272183	/nfs/dbraw/zinc/27/21/83/210272183.db2.gz	LCTINUNWWXRQKX-UHFFFAOYSA-N	-2	3	356.403	3.323	50	0		FGAAHL
CCc1ccccc1-n1[n-][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2	ZINC000101261235	222266848	/nfs/dbraw/zinc/26/68/48/222266848.db2.gz	GBCFTTBRQKJBIB-HOTGVXAUSA-N	-2	3	354.797	3.400	50	0		FGAAHL
Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(Cl)c1	ZINC000005134228	493915813	/nfs/dbraw/zinc/91/58/13/493915813.db2.gz	FQINAZWEPCADMB-UHFFFAOYSA-N	-2	3	353.827	3.466	50	0		FGAAHL
CCN(CC)c1ccc([N-]S(=O)(=O)c2ccccc2C)cc1C(=O)[O-]	ZINC000033253652	494054593	/nfs/dbraw/zinc/05/45/93/494054593.db2.gz	QMXXJCHCJZYKCJ-UHFFFAOYSA-N	-2	3	362.451	3.340	50	0		FGAAHL
O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccccc3Cl)c1)CCC2	ZINC000055547380	494358836	/nfs/dbraw/zinc/35/88/36/494358836.db2.gz	RFPBKWOKOKPQRE-UHFFFAOYSA-N	-2	3	351.811	3.328	50	0		FGAAHL
COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)cc1C	ZINC000055612180	494372657	/nfs/dbraw/zinc/37/26/57/494372657.db2.gz	DFELCFQBDDERSM-UHFFFAOYSA-N	-2	3	371.361	3.089	50	0		FGAAHL
CCOc1ccc(-n2[n-][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1	ZINC000023125912	211378753	/nfs/dbraw/zinc/37/87/53/211378753.db2.gz	SFKWDGMQFBBKTP-CVEARBPZSA-N	-2	3	370.796	3.237	50	0		FGAAHL
CCOC(=O)NC([N-]c1ccccc1C(=O)[O-])(C(F)(F)F)C(F)(F)F	ZINC000002335722	210391461	/nfs/dbraw/zinc/39/14/61/210391461.db2.gz	UVMHJROEWKHWAJ-UHFFFAOYSA-N	-2	3	374.237	3.364	50	0		FGAAHL
COc1cccc(-n2[n-][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)c1	ZINC000096236013	222093777	/nfs/dbraw/zinc/09/37/77/222093777.db2.gz	ZRYINFCPTXLLGL-JKSUJKDBSA-N	-2	3	370.796	3.155	50	0		FGAAHL
CCc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(C)c(F)c4)c=3c2=O)cc1	ZINC000101260104	222266206	/nfs/dbraw/zinc/26/62/06/222266206.db2.gz	ZPBXAZTXSGRCNR-IRXDYDNUSA-N	-2	3	352.369	3.194	50	0		FGAAHL
CCc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(Cl)cc4)c=3c2=O)cc1	ZINC000101260492	222266246	/nfs/dbraw/zinc/26/62/46/222266246.db2.gz	NQCMFAYXKZECCB-CVEARBPZSA-N	-2	3	354.797	3.400	50	0		FGAAHL
CCc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(C)c(F)c4)c=3c2=O)cc1	ZINC000101260106	222266471	/nfs/dbraw/zinc/26/64/71/222266471.db2.gz	ZPBXAZTXSGRCNR-SJORKVTESA-N	-2	3	352.369	3.194	50	0		FGAAHL
CSc1cccc(-n2c(=O)c3[n-][n-]n(-c4ccc(F)cc4)c=3c2=O)c1	ZINC000102820778	222308659	/nfs/dbraw/zinc/30/86/59/222308659.db2.gz	KCHCIYRYTLKFQL-LSDHHAIUSA-N	-2	3	356.382	3.045	50	0		FGAAHL
O=c1c2[n-][n-]n(-c3ccc(Cl)cc3)c=2c(=O)n1-c1ccc(F)c(F)c1	ZINC000102818938	222309177	/nfs/dbraw/zinc/30/91/77/222309177.db2.gz	CBFMXWSMJJZNPY-KBPBESRZSA-N	-2	3	362.723	3.116	50	0		FGAAHL
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1	ZINC000005135004	493915596	/nfs/dbraw/zinc/91/55/96/493915596.db2.gz	OFEYGXRTDLOQRH-UHFFFAOYSA-N	-2	3	371.361	3.106	50	0		FGAAHL
CCC[C@@H](C)c1c([O-])nc(Nc2nc(C)c3cc(OC)ccc3n2)[n-]c1=O	ZINC000009136747	494116143	/nfs/dbraw/zinc/11/61/43/494116143.db2.gz	BHHWSIITXOXPHT-SNVBAGLBSA-N	-2	3	369.425	3.383	50	0		FGAAHL
COc1cc(/C=C/c2noc(-c3ccccc3[O-])n2)ccc1OCC(=O)[O-]	ZINC000004815956	493894490	/nfs/dbraw/zinc/89/44/90/493894490.db2.gz	ZLNTWZWRJFLWCV-VQHVLOKHSA-N	-2	3	368.345	3.085	50	0		FGAAHL
CCc1ccccc1-n1[n-][n-]c2c(=O)n(-c3ccc(C)c(F)c3)c(=O)c1=2	ZINC000033114658	494045263	/nfs/dbraw/zinc/04/52/63/494045263.db2.gz	ASYVONOHGSXQKZ-SJORKVTESA-N	-2	3	352.369	3.194	50	0		FGAAHL
CCOc1ccc(-n2[n-][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1	ZINC000101261226	222266023	/nfs/dbraw/zinc/26/60/23/222266023.db2.gz	SFKWDGMQFBBKTP-JKSUJKDBSA-N	-2	3	370.796	3.237	50	0		FGAAHL
CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(C(=O)[O-])c2)cc1	ZINC000032962248	494032824	/nfs/dbraw/zinc/03/28/24/494032824.db2.gz	SRNATSCHXKBYHB-UHFFFAOYSA-N	-2	3	362.451	3.375	50	0		FGAAHL
O=c1c2[n-][n-]n(-c3ccc(Cl)cc3)c=2c(=O)n1-c1ccc(F)c(F)c1	ZINC000033114693	494045269	/nfs/dbraw/zinc/04/52/69/494045269.db2.gz	CBFMXWSMJJZNPY-ZIAGYGMSSA-N	-2	3	362.723	3.116	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(C)c(F)c4)c(=O)c2=3)c(C)c1	ZINC000102819139	570839892	/nfs/dbraw/zinc/83/98/92/570839892.db2.gz	WCYZXIZBFPOVLI-IAGOWNOFSA-N	-2	3	352.369	3.249	50	0		FGAAHL
Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl	ZINC000170650713	222612780	/nfs/dbraw/zinc/61/27/80/222612780.db2.gz	PKCBKUOEDWHPLN-UHFFFAOYSA-N	-2	3	351.714	3.019	50	0		FGAAHL
Cc1cc(C)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(Cl)cc4)c=3c2=O)c1	ZINC000101260732	222266929	/nfs/dbraw/zinc/26/69/29/222266929.db2.gz	CPMZNORZTYHKMT-HOTGVXAUSA-N	-2	3	354.797	3.455	50	0		FGAAHL
Cc1ccc2oc(-c3cc(C(=O)[O-])cc4c3OCOC4)c([O-])c(=O)c2c1	ZINC000001504486	493795931	/nfs/dbraw/zinc/79/59/31/493795931.db2.gz	ICXSIFAQHKTWNZ-UHFFFAOYSA-N	-2	3	354.314	3.039	50	0		FGAAHL
CCOc1ccccc1-n1[n-][n-]c2c(=O)n(-c3cc(C)cc(C)c3)c(=O)c1=2	ZINC000102819288	570839739	/nfs/dbraw/zinc/83/97/39/570839739.db2.gz	UIGZSCNPMNRNLC-ZWKOTPCHSA-N	-2	3	364.405	3.200	50	0		FGAAHL
Cc1cc(C)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(F)cc4F)c=3c2=O)c1	ZINC000102818949	570839861	/nfs/dbraw/zinc/83/98/61/570839861.db2.gz	SUORPZXKDQLHMM-HZPDHXFCSA-N	-2	3	356.332	3.079	50	0		FGAAHL
O=c1c2[n-][n-]n(-c3ccc(Cl)cc3)c=2c(=O)n1-c1ccc2c(c1)CCC2	ZINC000101262541	222266488	/nfs/dbraw/zinc/26/64/88/222266488.db2.gz	BQTUJOWSIKHHNV-DLBZAZTESA-N	-2	3	366.808	3.327	50	0		FGAAHL
S=c1[n-]nc(Cc2n[n-]c(=S)n2-c2ccccc2)n1-c1ccccc1	ZINC000002562009	493811221	/nfs/dbraw/zinc/81/12/21/493811221.db2.gz	PWXHHWGVQJHEPU-UHFFFAOYSA-N	-2	3	366.475	3.390	50	0		FGAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1C(C)(C)C	ZINC000032601609	493999603	/nfs/dbraw/zinc/99/96/03/493999603.db2.gz	MFQXNLCWGLUVFN-UHFFFAOYSA-N	-2	3	363.435	3.492	50	0		FGAAHL
O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccc(Cl)cc3F)c1)CCC2	ZINC000058377382	212008235	/nfs/dbraw/zinc/00/82/35/212008235.db2.gz	RRLKNIUVHFBPBN-UHFFFAOYSA-N	-2	3	369.801	3.467	50	0		FGAAHL
COc1cc(/C=C/c2ncc(C(=O)[O-])s2)cc(Br)c1[O-]	ZINC000058391901	212008336	/nfs/dbraw/zinc/00/83/36/212008336.db2.gz	BKJTZUWWSHMEEB-NSCUHMNNSA-N	-2	3	356.197	3.488	50	0		FGAAHL
Cc1cc(C)cc(-n2c(=O)c3[n-][n-]n(-c4cccc(Cl)c4)c=3c2=O)c1	ZINC000101261280	222266121	/nfs/dbraw/zinc/26/61/21/222266121.db2.gz	AQRRLIBRHLUKPE-HZPDHXFCSA-N	-2	3	354.797	3.455	50	0		FGAAHL
O=c1c2[n-][n-]n(-c3cccc(Cl)c3)c=2c(=O)n1-c1ccc2c(c1)CCC2	ZINC000102818656	222308304	/nfs/dbraw/zinc/30/83/04/222308304.db2.gz	SIPUHKWDYZCGDT-SJORKVTESA-N	-2	3	366.808	3.327	50	0		FGAAHL
CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2cc(Cl)c([O-])c(Cl)c2)N1	ZINC000006849409	493983316	/nfs/dbraw/zinc/98/33/16/493983316.db2.gz	VJNANZCAAUPTBO-LLVKDONJSA-N	-2	3	357.115	3.172	50	0		FGAAHL
O=C([O-])c1cccc([C@@H]2CCCN(C(=O)Cc3ccc([O-])c(F)c3)C2)c1	ZINC000095361278	494963344	/nfs/dbraw/zinc/96/33/44/494963344.db2.gz	XNFFEJKAHLKMOM-MRXNPFEDSA-N	-2	3	357.381	3.178	50	0		FGAAHL
CCOc1ccccc1-n1[n-][n-]c2c(=O)n(-c3cc(C)cc(C)c3)c(=O)c1=2	ZINC000102819292	570839688	/nfs/dbraw/zinc/83/96/88/570839688.db2.gz	UIGZSCNPMNRNLC-ROUUACIJSA-N	-2	3	364.405	3.200	50	0		FGAAHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1cccc(Br)c1	ZINC000020136194	220314092	/nfs/dbraw/zinc/31/40/92/220314092.db2.gz	BMCLXVJBRZBHTQ-UHFFFAOYSA-N	-2	3	363.215	3.104	50	0		FGAAHL
Cc1ccc(-n2c([O-])c([C@H]3NCCc4ccccc43)c(=O)[n-]c2=S)cc1	ZINC000020231206	220321152	/nfs/dbraw/zinc/32/11/52/220321152.db2.gz	JBXKIXCNUSEMPX-KRWDZBQOSA-N	-2	3	365.458	3.144	50	0		FGAAHL
O=C([O-])c1cccc([C@H]2CCCN(C(=O)Cc3ccc([O-])c(F)c3)C2)c1	ZINC000095361279	221863164	/nfs/dbraw/zinc/86/31/64/221863164.db2.gz	XNFFEJKAHLKMOM-INIZCTEOSA-N	-2	3	357.381	3.178	50	0		FGAAHL
O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1	ZINC000096736586	222129038	/nfs/dbraw/zinc/12/90/38/222129038.db2.gz	JPJRCTQSBQPCNX-TWGQIWQCSA-N	-2	3	355.774	3.378	50	0		FGAAHL
CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1C(=O)[O-]	ZINC000033253632	494054959	/nfs/dbraw/zinc/05/49/59/494054959.db2.gz	KOBPGXVIWZRSIH-UHFFFAOYSA-N	-2	3	366.414	3.171	50	0		FGAAHL
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1C(C)(C)C	ZINC000008714941	494100749	/nfs/dbraw/zinc/10/07/49/494100749.db2.gz	BXALUSGXYIVLCZ-UHFFFAOYSA-N	-2	3	363.435	3.492	50	0		FGAAHL
CC(C)n1c(CCNC(=O)c2cc3c(cc2[O-])CCCC3)n[n-]c1=S	ZINC000067119082	494478964	/nfs/dbraw/zinc/47/89/64/494478964.db2.gz	MDPCDYJOXJRJAR-UHFFFAOYSA-N	-2	3	360.483	3.078	50	0		FGAAHL
Cc1cc(C)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(Cl)cc4)c=3c2=O)c1	ZINC000101260734	222266091	/nfs/dbraw/zinc/26/60/91/222266091.db2.gz	CPMZNORZTYHKMT-CVEARBPZSA-N	-2	3	354.797	3.455	50	0		FGAAHL
CCc1ccc(-n2c(=O)c3[n-][n-]n(-c4cccc(Cl)c4)c=3c2=O)cc1	ZINC000101260517	222266609	/nfs/dbraw/zinc/26/66/09/222266609.db2.gz	KFRUWVIAJUAASG-CVEARBPZSA-N	-2	3	354.797	3.400	50	0		FGAAHL
O=c1[n-]n(C2CCOCC2)c2c1[C@@H](c1ccc([O-])c(Cl)c1)CC(=O)N2	ZINC000095472591	494978528	/nfs/dbraw/zinc/97/85/28/494978528.db2.gz	AYXKGKDIXKHZBR-LLVKDONJSA-N	-2	3	363.801	3.011	50	0		FGAAHL
CCCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1OC	ZINC000548419307	504437783	/nfs/dbraw/zinc/43/77/83/504437783.db2.gz	CHOARVVWIYCZJL-VURMDHGXSA-N	-2	3	358.394	3.086	50	0		FGAAHL
COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Cl	ZINC000013367063	220066089	/nfs/dbraw/zinc/06/60/89/220066089.db2.gz	KSSIXFLGZHWEMF-VQHVLOKHSA-N	-2	3	367.810	3.247	50	0		FGAAHL
CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ncccc2[O-])c1=O	ZINC000100331675	222241551	/nfs/dbraw/zinc/24/15/51/222241551.db2.gz	NCXZRVYZHZXKMH-UHFFFAOYSA-N	-2	3	367.405	3.250	50	0		FGAAHL
O=c1c2[n-][n-]n(-c3cccc(Cl)c3)c=2c(=O)n1-c1ccc2c(c1)CCC2	ZINC000033114688	494045415	/nfs/dbraw/zinc/04/54/15/494045415.db2.gz	SIPUHKWDYZCGDT-IAGOWNOFSA-N	-2	3	366.808	3.327	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1Cl	ZINC000033114666	494045422	/nfs/dbraw/zinc/04/54/22/494045422.db2.gz	OCUHZCNOTJRCQH-CABCVRRESA-N	-2	3	358.760	3.285	50	0		FGAAHL
CCc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(Cl)cc4)c=3c2=O)cc1	ZINC000023125716	494550522	/nfs/dbraw/zinc/55/05/22/494550522.db2.gz	NQCMFAYXKZECCB-JKSUJKDBSA-N	-2	3	354.797	3.400	50	0		FGAAHL
COc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)ccc1OC(C)C	ZINC000019974234	522914813	/nfs/dbraw/zinc/91/48/13/522914813.db2.gz	MTABBSRROMMLCA-UHFFFAOYSA-N	-2	3	372.425	3.137	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1F	ZINC000101261219	222266255	/nfs/dbraw/zinc/26/62/55/222266255.db2.gz	YQLOHWCMJVIQJI-GJZGRUSLSA-N	-2	3	358.760	3.285	50	0		FGAAHL
Cc1cc(C)cc(-n2[n-][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)c1	ZINC000101262572	222266335	/nfs/dbraw/zinc/26/63/35/222266335.db2.gz	ZVVRNQJSRJTIDX-MOPGFXCFSA-N	-2	3	360.417	3.290	50	0		FGAAHL
CCOc1ccc(-n2[n-][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)cc1	ZINC000102819054	222309417	/nfs/dbraw/zinc/30/94/17/222309417.db2.gz	BSTPQPCGVYXRTA-ROUUACIJSA-N	-2	3	364.405	3.200	50	0		FGAAHL
Cc1cc(C)cc(-n2c(=O)c3[n-][n-]n(-c4cccc(Cl)c4)c=3c2=O)c1	ZINC000023125919	494550297	/nfs/dbraw/zinc/55/02/97/494550297.db2.gz	AQRRLIBRHLUKPE-JKSUJKDBSA-N	-2	3	354.797	3.455	50	0		FGAAHL
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000012532613	220004039	/nfs/dbraw/zinc/00/40/39/220004039.db2.gz	WLAHXAUJTQIQCA-UHFFFAOYSA-N	-2	3	370.224	3.257	50	0		FGAAHL
O=c1[n-]c(=S)n(C2CCCCC2)c([O-])c1[C@@H]1NCCc2ccccc21	ZINC000017028899	220201045	/nfs/dbraw/zinc/20/10/45/220201045.db2.gz	VGFVKAPQNJYIEN-MRXNPFEDSA-N	-2	3	357.479	3.352	50	0		FGAAHL
COc1cccc(-n2[n-][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)c1	ZINC000096236012	222093852	/nfs/dbraw/zinc/09/38/52/222093852.db2.gz	ZRYINFCPTXLLGL-CVEARBPZSA-N	-2	3	370.796	3.155	50	0		FGAAHL
Cc1c(CC(=O)NC2CCCCCCC2)c(=O)oc2cc([O-])cc([O-])c12	ZINC000005346462	493926181	/nfs/dbraw/zinc/92/61/81/493926181.db2.gz	KJMAKPXKNWGVEE-UHFFFAOYSA-N	-2	3	359.422	3.284	50	0		FGAAHL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1	ZINC000007708720	494037814	/nfs/dbraw/zinc/03/78/14/494037814.db2.gz	BZSAEGQHNBGNPT-UHFFFAOYSA-N	-2	3	357.334	3.095	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(C)c(F)c4)c(=O)c2=3)c(C)c1	ZINC000033114652	494045274	/nfs/dbraw/zinc/04/52/74/494045274.db2.gz	WCYZXIZBFPOVLI-SJORKVTESA-N	-2	3	352.369	3.249	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(C)c(F)c4)c(=O)c2=3)cc1C	ZINC000023125725	494550731	/nfs/dbraw/zinc/55/07/31/494550731.db2.gz	KMNJHYZWBIYVRN-IAGOWNOFSA-N	-2	3	352.369	3.249	50	0		FGAAHL
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1C	ZINC000058381693	221117023	/nfs/dbraw/zinc/11/70/23/221117023.db2.gz	UBPXOJFFESKFAG-UHFFFAOYSA-N	-2	3	369.826	3.464	50	0		FGAAHL
Cc1cc(C)cc(-n2[n-][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)c1	ZINC000101262567	222266521	/nfs/dbraw/zinc/26/65/21/222266521.db2.gz	ZVVRNQJSRJTIDX-OALUTQOASA-N	-2	3	360.417	3.290	50	0		FGAAHL
CCc1ccc(-n2c(=O)c3[n-][n-]n(-c4cccc(Cl)c4)c=3c2=O)cc1	ZINC000101260522	222266978	/nfs/dbraw/zinc/26/69/78/222266978.db2.gz	KFRUWVIAJUAASG-HZPDHXFCSA-N	-2	3	354.797	3.400	50	0		FGAAHL
Cc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(F)c(Cl)c4)c=3c2=O)cc1	ZINC000033114637	494045308	/nfs/dbraw/zinc/04/53/08/494045308.db2.gz	RDJSNZCAIMFGJC-HUUCEWRRSA-N	-2	3	358.760	3.285	50	0		FGAAHL
Cc1ccc(-n2c(=O)c3[n-][n-]n(-c4cccc(F)c4)c=3c2=O)cc1Cl	ZINC000033274047	494055529	/nfs/dbraw/zinc/05/55/29/494055529.db2.gz	QHYRLTUKGOFTKC-HUUCEWRRSA-N	-2	3	358.760	3.285	50	0		FGAAHL
CCc1ccccc1-n1[n-][n-]c2c(=O)n(-c3ccc(C)c(F)c3)c(=O)c1=2	ZINC000102819594	570839912	/nfs/dbraw/zinc/83/99/12/570839912.db2.gz	ASYVONOHGSXQKZ-DLBZAZTESA-N	-2	3	352.369	3.194	50	0		FGAAHL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)ccc1Cl	ZINC000013345773	220064899	/nfs/dbraw/zinc/06/48/99/220064899.db2.gz	SEKPDJHWPINEFR-UHFFFAOYSA-N	-2	3	365.716	3.256	50	0		FGAAHL
CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CC(CC)(CC)C(=O)[O-])c2)n1	ZINC000055149682	221059950	/nfs/dbraw/zinc/05/99/50/221059950.db2.gz	CEKYCMPYSKXQGB-UHFFFAOYSA-N	-2	3	371.437	3.219	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1F	ZINC000101261224	222266503	/nfs/dbraw/zinc/26/65/03/222266503.db2.gz	YQLOHWCMJVIQJI-CABCVRRESA-N	-2	3	358.760	3.285	50	0		FGAAHL
Cc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccc(F)cc4)c=3c2=O)cc1Cl	ZINC000101260317	222266564	/nfs/dbraw/zinc/26/65/64/222266564.db2.gz	SKRLZYFQXOUMLB-HUUCEWRRSA-N	-2	3	358.760	3.285	50	0		FGAAHL
Cc1cc(C)cc(-n2c(=O)c3[n-][n-]n(-c4ccc(C)c(F)c4)c=3c2=O)c1	ZINC000101260776	222266894	/nfs/dbraw/zinc/26/68/94/222266894.db2.gz	YAGIFQLAPPAFPR-DLBZAZTESA-N	-2	3	352.369	3.249	50	0		FGAAHL
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)c1	ZINC000007405260	494020299	/nfs/dbraw/zinc/02/02/99/494020299.db2.gz	DXCNKMNFWKBIHW-UHFFFAOYSA-N	-2	3	374.187	3.087	50	0		FGAAHL
CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C(=O)[O-])cc1	ZINC000033007336	494035868	/nfs/dbraw/zinc/03/58/68/494035868.db2.gz	WNODYPKMMOAILX-UHFFFAOYSA-N	-2	3	374.462	3.348	50	0		FGAAHL
O=C([O-])CCc1oc2cc([O-])ccc2c(=O)c1-c1nc2ccccc2[n-]1	ZINC000000038207	219305387	/nfs/dbraw/zinc/30/53/87/219305387.db2.gz	FSGIPHFPDWXYON-UHFFFAOYSA-N	-3	3	350.330	3.059	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1Cl	ZINC000102818505	222308861	/nfs/dbraw/zinc/30/88/61/222308861.db2.gz	OCUHZCNOTJRCQH-LSDHHAIUSA-N	-2	3	358.760	3.285	50	0		FGAAHL
CCSc1nnc([N-]C([N-]C(C)=O)(C(F)(F)F)C(F)(F)F)s1	ZINC000002260842	493804495	/nfs/dbraw/zinc/80/44/95/493804495.db2.gz	VWTGBDHTFWRGOE-UHFFFAOYSA-N	-2	3	368.328	3.019	50	0		FGAAHL
Cc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)cc1C	ZINC000033114685	494045524	/nfs/dbraw/zinc/04/55/24/494045524.db2.gz	DDSDFEOKADRKPV-MOPGFXCFSA-N	-2	3	360.417	3.290	50	0		FGAAHL
CCCCc1c([O-])nc(Nc2nc(C)c3cc(OCC)ccc3n2)[n-]c1=O	ZINC000012436810	494232299	/nfs/dbraw/zinc/23/22/99/494232299.db2.gz	VROJRXBXLPORIH-UHFFFAOYSA-N	-2	3	369.425	3.212	50	0		FGAAHL