smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)ccc2[O-])C2=C1CC(C)(C)CC2=O	ZINC000000665638	557045184	/nfs/dbraw/zinc/04/51/84/557045184.db2.gz	VLFIQEVFISIPQE-UHFFFAOYSA-N	-1	3	413.945	5.361	50	30		HKEAHM
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[N-]c1sc(C)c(C)c1C#N	ZINC000000671813	568461081	/nfs/dbraw/zinc/46/10/81/568461081.db2.gz	CFGWOQGYFVUTBP-UHFFFAOYSA-N	-1	3	406.294	5.759	50	30		HKEAHM
CCOc1cc(/C=N/c2ccccc2/N=C/c2ccc(O)c(OCC)c2)ccc1[O-]	ZINC000000672007	557049756	/nfs/dbraw/zinc/04/97/56/557049756.db2.gz	QMCRCLWYZIWLOD-RYQLWAFASA-N	-1	3	404.466	5.396	50	30		HKEAHM
CC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3ccc(Cl)cc3[N+](=O)[O-])sc2C1	ZINC000000673733	569384053	/nfs/dbraw/zinc/38/40/53/569384053.db2.gz	FOGIYLJIRIFPGI-NSHDSACASA-N	-1	3	417.918	5.585	50	30		HKEAHM
CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ccc(Cl)cc3[N+](=O)[O-])sc2C1	ZINC000000673735	569384074	/nfs/dbraw/zinc/38/40/74/569384074.db2.gz	FOGIYLJIRIFPGI-LLVKDONJSA-N	-1	3	417.918	5.585	50	30		HKEAHM
Cc1ccc2oc(-c3cccc(/N=C/c4cc(Br)ccc4[O-])c3)nc2c1	ZINC000000704493	557063285	/nfs/dbraw/zinc/06/32/85/557063285.db2.gz	AJMYTAVISWTUIT-FSJBWODESA-N	-1	3	407.267	6.022	50	30		HKEAHM
COc1cc(-c2nc3ccccn3c2/N=C/c2cccc(Cl)c2Cl)ccc1[O-]	ZINC000000705690	557063665	/nfs/dbraw/zinc/06/36/65/557063665.db2.gz	UESBTQNHTUZTQA-WYMPLXKRSA-N	-1	3	412.276	5.773	50	30		HKEAHM
[O-]c1ccc(Br)cc1/C=N/c1ccc(OCC(F)(F)C(F)F)cc1	ZINC000000710700	557066086	/nfs/dbraw/zinc/06/60/86/557066086.db2.gz	NYDJDWTXVLHYDB-GZIVZEMBSA-N	-1	3	406.173	5.185	50	30		HKEAHM
COc1cc(Br)c(Br)c(/C=N/c2cc(C)ccc2C)c1[O-]	ZINC000000710908	557066166	/nfs/dbraw/zinc/06/61/66/557066166.db2.gz	VSORLVJBKDCPFK-UFWORHAWSA-N	-1	3	413.109	5.293	50	30		HKEAHM
Cc1cccc(-c2nc3cc(/N=C/c4cc(Br)ccc4[O-])ccc3o2)c1	ZINC000000711451	524120067	/nfs/dbraw/zinc/12/00/67/524120067.db2.gz	VNQZSYPAANWQTH-FSJBWODESA-N	-1	3	407.267	6.022	50	30		HKEAHM
O=C([N-]c1nc(-c2ccco2)cn1/N=C/c1ccccc1)Nc1ccccc1Cl	ZINC000000755481	568472430	/nfs/dbraw/zinc/47/24/30/568472430.db2.gz	QXYKHYHFDWMCRK-YDZHTSKRSA-N	-1	3	405.845	5.323	50	30		HKEAHM
COc1cc(Br)cc(/C=N/c2cccc(-c3nc4ccccc4o3)c2)c1[O-]	ZINC000000798811	568483127	/nfs/dbraw/zinc/48/31/27/568483127.db2.gz	ZGCYWJZKMKUDTL-FSJBWODESA-N	-1	3	423.266	5.722	50	30		HKEAHM
CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1[O-]	ZINC000000815779	557090221	/nfs/dbraw/zinc/09/02/21/557090221.db2.gz	LXHWCUJKZSFGBD-NRFANRHFSA-N	-1	3	412.917	5.666	50	30		HKEAHM
CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1[O-]	ZINC000000815780	557090131	/nfs/dbraw/zinc/09/01/31/557090131.db2.gz	LXHWCUJKZSFGBD-OAQYLSRUSA-N	-1	3	412.917	5.666	50	30		HKEAHM
COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1[O-]	ZINC000000820463	568498220	/nfs/dbraw/zinc/49/82/20/568498220.db2.gz	JPUYXWKZCAWBKO-FSJBWODESA-N	-1	3	422.828	5.028	50	30		HKEAHM
COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(Cl)cc2Cl)ccc1[O-]	ZINC000000820468	568498200	/nfs/dbraw/zinc/49/82/00/568498200.db2.gz	JQLHWTABDNMADY-WYMPLXKRSA-N	-1	3	412.276	5.773	50	30		HKEAHM
C[C@H]1CCc2c(C#N)c([N-]C(=O)c3sc4cc(Cl)ccc4c3Cl)sc2C1	ZINC000000856115	568711621	/nfs/dbraw/zinc/71/16/21/568711621.db2.gz	CWIJPLGOWSAUSF-VIFPVBQESA-N	-1	3	421.374	6.518	50	30		HKEAHM
C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3sc4cc(Cl)ccc4c3Cl)sc2C1	ZINC000000856116	568711583	/nfs/dbraw/zinc/71/15/83/568711583.db2.gz	CWIJPLGOWSAUSF-SECBINFHSA-N	-1	3	421.374	6.518	50	30		HKEAHM
COc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccccc2Cl)c1	ZINC000000856647	557103053	/nfs/dbraw/zinc/10/30/53/557103053.db2.gz	PDDQBLKYJTYKRP-NRFANRHFSA-N	-1	3	419.864	5.132	50	30		HKEAHM
COc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccccc2Cl)c1	ZINC000000856648	557103004	/nfs/dbraw/zinc/10/30/04/557103004.db2.gz	PDDQBLKYJTYKRP-OAQYLSRUSA-N	-1	3	419.864	5.132	50	30		HKEAHM
Cc1ccccc1-c1nc2cc(/N=C/c3cc(Br)ccc3[O-])ccc2o1	ZINC000000864839	568722342	/nfs/dbraw/zinc/72/23/42/568722342.db2.gz	DPTSNODHCXUMQH-FSJBWODESA-N	-1	3	407.267	6.022	50	30		HKEAHM
COc1ccc(-c2nc3cc(C)ccc3o2)cc1/N=C/c1c([O-])ccc2ccccc21	ZINC000000868975	568725344	/nfs/dbraw/zinc/72/53/44/568725344.db2.gz	BFBHBBWVGKSDFR-JFLMPSFJSA-N	-1	3	408.457	6.421	50	30	biogenic	HKEAHM
COc1cc(Br)cc(/C=N/c2cccc(-c3cn4ccccc4n3)c2)c1[O-]	ZINC000000904067	568749645	/nfs/dbraw/zinc/74/96/45/568749645.db2.gz	TVEIQHSJRBFNRP-FSJBWODESA-N	-1	3	422.282	5.229	50	30		HKEAHM
N#Cc1c([N-]C(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)sc2c1CCCC2	ZINC000000936092	568751530	/nfs/dbraw/zinc/75/15/30/568751530.db2.gz	NMQJNXAQWVQUJV-UHFFFAOYSA-N	-1	3	416.424	6.030	50	30		HKEAHM
CCOC(=O)c1c(-c2cccs2)csc1/N=C/c1c([O-])ccc2ccccc21	ZINC000000971119	557127598	/nfs/dbraw/zinc/12/75/98/557127598.db2.gz	ZOMIMUZDMGRQBH-FSJBWODESA-N	-1	3	407.516	6.263	50	30		HKEAHM
N#Cc1c([N-]C(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)sc2c1CCCC2	ZINC000001019370	568762588	/nfs/dbraw/zinc/76/25/88/568762588.db2.gz	SXACYWRKUIUOKJ-UHFFFAOYSA-N	-1	3	417.317	6.318	50	30		HKEAHM
COc1cc(Br)cc(/C=N/c2ccc(-c3nc4ccccc4[nH]3)cc2)c1[O-]	ZINC000001020925	522026992	/nfs/dbraw/zinc/02/69/92/522026992.db2.gz	YWHIPHBTLAMVON-FSJBWODESA-N	-1	3	422.282	5.457	50	30		HKEAHM
Cc1sc([N-]C(=O)c2ccc(Br)o2)c(C#N)c1-c1ccc(F)cc1	ZINC000001021587	568763335	/nfs/dbraw/zinc/76/33/35/568763335.db2.gz	IGAGQAQHAOHDFY-UHFFFAOYSA-N	-1	3	405.248	5.342	50	30		HKEAHM
O=S(=O)(c1ccc(Cl)cc1)c1ccc(/N=C/c2ccccc2[O-])cc1Cl	ZINC000001024771	557144773	/nfs/dbraw/zinc/14/47/73/557144773.db2.gz	BWTOGHKYMWJFNZ-WSDLNYQXSA-N	-1	3	406.290	5.282	50	30		HKEAHM
O=C(Nc1c(-c2nc3ccccc3[n-]2)sc(=S)n1-c1ccccc1)C(F)(F)F	ZINC000001027622	560561661	/nfs/dbraw/zinc/56/16/61/560561661.db2.gz	PQDFNUJXBSQNEQ-UHFFFAOYSA-N	-1	3	420.441	5.962	50	30		HKEAHM
C[C@H]1CCc2c(C#N)c([N-]C(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2C1	ZINC000001067977	568766055	/nfs/dbraw/zinc/76/60/55/568766055.db2.gz	GTIADOLMKWPGTP-LBPRGKRZSA-N	-1	3	407.451	5.165	50	30		HKEAHM
C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2C1	ZINC000001067980	568766004	/nfs/dbraw/zinc/76/60/04/568766004.db2.gz	GTIADOLMKWPGTP-GFCCVEGCSA-N	-1	3	407.451	5.165	50	30		HKEAHM
COc1ccc(-c2oc(/N=C/c3ccc([O-])cc3)c(C#N)c2-c2ccc(OC)cc2)cc1	ZINC000001086096	557176640	/nfs/dbraw/zinc/17/66/40/557176640.db2.gz	ARDHFLQYUYTXPP-LQKURTRISA-N	-1	3	424.456	5.959	50	30		HKEAHM
[O-]c1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(O)cc4)cc3)cc2)cc1	ZINC000001087282	557176664	/nfs/dbraw/zinc/17/66/64/557176664.db2.gz	PPGJHEQIYQKYFC-XUIWWLCJSA-N	-1	3	408.457	6.391	50	30		HKEAHM
C[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3cccc4ccccc43)sc2C1	ZINC000001104798	568771849	/nfs/dbraw/zinc/77/18/49/568771849.db2.gz	VYGPTVDWAIFAEH-ZDUSSCGKSA-N	-1	3	405.548	5.025	50	30		HKEAHM
C[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3cccc4ccccc43)sc2C1	ZINC000001104799	568771962	/nfs/dbraw/zinc/77/19/62/568771962.db2.gz	VYGPTVDWAIFAEH-CYBMUJFWSA-N	-1	3	405.548	5.025	50	30		HKEAHM
C=CCn1c(SCc2ccccc2F)nnc1-c1cc(Br)ccc1[O-]	ZINC000001118652	569006304	/nfs/dbraw/zinc/00/63/04/569006304.db2.gz	DNEVRDDCNUXHEU-UHFFFAOYSA-N	-1	3	420.307	5.031	50	30		HKEAHM
N#Cc1c(SCC(=O)c2ccc(Cl)cc2)nc2c(c1-c1ccc([O-])cc1)CCC2	ZINC000001122439	568771462	/nfs/dbraw/zinc/77/14/62/568771462.db2.gz	NKDOTKWOMYXAPN-UHFFFAOYSA-N	-1	3	420.921	5.443	50	30		HKEAHM
C[C@H]1CCc2c(C#N)c([N-]C(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2C1	ZINC000001131775	568773067	/nfs/dbraw/zinc/77/30/67/568773067.db2.gz	XPHUSYWEKARDRA-LBPRGKRZSA-N	-1	3	407.451	5.165	50	30		HKEAHM
C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2C1	ZINC000001131776	568773253	/nfs/dbraw/zinc/77/32/53/568773253.db2.gz	XPHUSYWEKARDRA-GFCCVEGCSA-N	-1	3	407.451	5.165	50	30		HKEAHM
COc1ccc(-c2oc([N-]C(=O)c3ccco3)c(C#N)c2-c2ccc(OC)cc2)cc1	ZINC000001174932	568818926	/nfs/dbraw/zinc/81/89/26/568818926.db2.gz	SVVIFLPHCAINRR-UHFFFAOYSA-N	-1	3	414.417	5.348	50	30		HKEAHM
CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)ccc1[O-]	ZINC000001185433	557233640	/nfs/dbraw/zinc/23/36/40/557233640.db2.gz	BWFPOALNKFRWPD-UHFFFAOYSA-N	-1	3	400.902	5.446	50	30		HKEAHM
Cc1ccc(-c2nc3ncccc3o2)cc1/N=C/c1cc(Br)ccc1[O-]	ZINC000001293919	568912995	/nfs/dbraw/zinc/91/29/95/568912995.db2.gz	MFERJPDLLIEPSR-FOKLQQMPSA-N	-1	3	408.255	5.417	50	30		HKEAHM
Cc1nc(-c2ccccc2)sc1C([O-])=C1[C@@H](c2ccc(Cl)cc2)C1(C#N)C#N	ZINC000001394703	568925140	/nfs/dbraw/zinc/92/51/40/568925140.db2.gz	RLBLNMQNYASFHY-QZTJIDSGSA-N	-1	3	403.894	5.402	50	30		HKEAHM
Cc1nc(-c2ccccc2)sc1C([O-])=C1[C@@H](c2ccc(Cl)cc2)C1(C#N)C#N	ZINC000001394704	568925248	/nfs/dbraw/zinc/92/52/48/568925248.db2.gz	RLBLNMQNYASFHY-MSOLQXFVSA-N	-1	3	403.894	5.402	50	30		HKEAHM
Cc1nc(-c2ccccc2)sc1C([O-])=C1[C@H](c2ccc(Cl)cc2)C1(C#N)C#N	ZINC000001394705	568925188	/nfs/dbraw/zinc/92/51/88/568925188.db2.gz	RLBLNMQNYASFHY-ZWKOTPCHSA-N	-1	3	403.894	5.402	50	30		HKEAHM
Cc1nc(-c2ccccc2)sc1C([O-])=C1[C@H](c2ccc(Cl)cc2)C1(C#N)C#N	ZINC000001394706	568925125	/nfs/dbraw/zinc/92/51/25/568925125.db2.gz	RLBLNMQNYASFHY-ROUUACIJSA-N	-1	3	403.894	5.402	50	30		HKEAHM
[O-]c1ccc(/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)c(O)c1	ZINC000001431059	568940018	/nfs/dbraw/zinc/94/00/18/568940018.db2.gz	BDQMLQSIFFYOPW-SSDVNMTOSA-N	-1	3	409.239	5.419	50	30		HKEAHM
[O-]c1cc(O)ccc1/C=N/c1ccc2oc(-c3ccc(Br)cc3)nc2c1	ZINC000001431059	568940020	/nfs/dbraw/zinc/94/00/20/568940020.db2.gz	BDQMLQSIFFYOPW-SSDVNMTOSA-N	-1	3	409.239	5.419	50	30		HKEAHM
[O-]c1ccc(Br)cc1/C=N/c1ccc2oc(-c3cccc(F)c3)nc2c1	ZINC000001433913	568941572	/nfs/dbraw/zinc/94/15/72/568941572.db2.gz	CLAUWUSTENODKO-FOKLQQMPSA-N	-1	3	411.230	5.853	50	30		HKEAHM
Cc1cccc2oc(-c3cccc(/N=C/c4cc(Br)ccc4[O-])c3)nc21	ZINC000001435357	568951722	/nfs/dbraw/zinc/95/17/22/568951722.db2.gz	AKMUWRPMJHMQBQ-FSJBWODESA-N	-1	3	407.267	6.022	50	30		HKEAHM
Cc1ccc([O-])c(/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)c1	ZINC000001435668	568951713	/nfs/dbraw/zinc/95/17/13/568951713.db2.gz	JAWIQXPRFCCOSO-YDZHTSKRSA-N	-1	3	410.267	5.433	50	30		HKEAHM
COc1cccc(-c2nc3cc(/N=C/c4c([O-])cc(C)c(Cl)c4C)ccc3o2)c1	ZINC000001435692	568951858	/nfs/dbraw/zinc/95/18/58/568951858.db2.gz	UVVWBFKFUFHQAO-BRJLIKDPSA-N	-1	3	406.869	6.230	50	30		HKEAHM
COc1ccc(-c2oc([N-]C(=O)C(F)(F)F)c(C#N)c2-c2ccc(OC)cc2)cc1	ZINC000001436311	568955063	/nfs/dbraw/zinc/95/50/63/568955063.db2.gz	JYMOACSFGZCDHZ-UHFFFAOYSA-N	-1	3	416.355	5.003	50	30		HKEAHM
COc1ccc(-c2nc3cc(/N=C/c4c([O-])cc(C)c(Cl)c4C)ccc3o2)cc1	ZINC000001445050	568982195	/nfs/dbraw/zinc/98/21/95/568982195.db2.gz	AXEVVORKHRWEPN-BRJLIKDPSA-N	-1	3	406.869	6.230	50	30		HKEAHM
[O-]c1ccc(Cc2ccccc2Cl)cc1/C=N/c1ccc(N2CCOCC2)cc1	ZINC000001499595	569004591	/nfs/dbraw/zinc/00/45/91/569004591.db2.gz	KHQLMQFJMVSJOB-YZSQISJMSA-N	-1	3	406.913	5.224	50	30		HKEAHM
COc1cc(Br)c(Br)c(/C=N/c2cccc(Cl)c2)c1[O-]	ZINC000001502244	569005993	/nfs/dbraw/zinc/00/59/93/569005993.db2.gz	WFKUFMILUNYJOH-CNHKJKLMSA-N	-1	3	419.500	5.330	50	30		HKEAHM
O=C(Nc1cccc(/N=C/c2cc(Br)ccc2[O-])c1)c1ccc(F)cc1	ZINC000001502321	569005984	/nfs/dbraw/zinc/00/59/84/569005984.db2.gz	ZJJFSDWBJZXNKB-FSJBWODESA-N	-1	3	413.246	5.297	50	30		HKEAHM
O=C(Nc1cccc2ccccc21)c1cccc(/N=C/c2cc(Cl)ccc2[O-])c1	ZINC000001506232	569006756	/nfs/dbraw/zinc/00/67/56/569006756.db2.gz	RRQYHTXCLAIIEX-CVKSISIWSA-N	-1	3	400.865	6.202	50	30		HKEAHM
CCOC(=O)c1c(/N=C/c2c3c(ccc2[O-])oc2c3CCCC2)sc2c1CCCC2	ZINC000001793455	569053262	/nfs/dbraw/zinc/05/32/62/569053262.db2.gz	KCKMPNQQAKFXLU-DHRITJCHSA-N	-1	3	423.534	5.885	50	30		HKEAHM
CCCCCCCCCCOc1ccc(-c2c(=O)n([O-])c3ccccc3[n+]2[O-])cc1	ZINC000001795474	568835687	/nfs/dbraw/zinc/83/56/87/568835687.db2.gz	QBOIBZYNPGORBO-UHFFFAOYSA-N	-1	3	410.514	5.059	50	30		HKEAHM
CCN(CC)c1ccc(/C=N/c2cccc(C(=O)Nc3cccc(Cl)c3)c2)c([O-])c1	ZINC000001807107	557289961	/nfs/dbraw/zinc/28/99/61/557289961.db2.gz	YXSOZFBGUFBEND-WGOQTCKBSA-N	-1	3	421.928	5.895	50	30		HKEAHM
CCC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3cccs3)sc2C1	ZINC000001830705	569056319	/nfs/dbraw/zinc/05/63/19/569056319.db2.gz	CUHIFBOQPLWKEX-LBPRGKRZSA-N	-1	3	417.625	5.349	50	30		HKEAHM
CCC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3cccs3)sc2C1	ZINC000001830706	569056352	/nfs/dbraw/zinc/05/63/52/569056352.db2.gz	CUHIFBOQPLWKEX-GFCCVEGCSA-N	-1	3	417.625	5.349	50	30		HKEAHM
O=C(c1ccc(/N=C/c2ccccc2[O-])cc1)c1ccc(/N=C/c2ccccc2O)cc1	ZINC000001862255	569056715	/nfs/dbraw/zinc/05/67/15/569056715.db2.gz	FORBLOQNRWCGFE-POAOKBCDSA-N	-1	3	420.468	5.830	50	30		HKEAHM
[O-]c1ccc2ccccc2c1/C=N/c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1	ZINC000001878346	569056873	/nfs/dbraw/zinc/05/68/73/569056873.db2.gz	RYKGNTPQMSECEO-JFLMPSFJSA-N	-1	3	412.876	6.681	50	30		HKEAHM
[O-]c1ccc(/N=C/C=C/c2ccc3c(c2)OCO3)cc1-c1nc2ccccc2s1	ZINC000001879455	557293956	/nfs/dbraw/zinc/29/39/56/557293956.db2.gz	ZFIICEYWTYWDGL-NABLLQKMSA-N	-1	3	400.459	5.813	50	30		HKEAHM
[O-]c1ccc(Br)cc1/C=N/c1cccc(-c2nc3ccccc3s2)c1	ZINC000001881823	569056852	/nfs/dbraw/zinc/05/68/52/569056852.db2.gz	OFFLPQQWVNKUFN-WSDLNYQXSA-N	-1	3	409.308	6.182	50	30		HKEAHM
Cc1ccc2nc(-c3ccc(/N=C/c4cc(Br)ccc4[O-])cc3)sc2c1	ZINC000001883464	569056982	/nfs/dbraw/zinc/05/69/82/569056982.db2.gz	NWQXEQPXUPRMCX-FSJBWODESA-N	-1	3	423.335	6.490	50	30		HKEAHM
Cc1ccc([O-])c(/N=C/c2ccc(C(=O)Oc3cc(Cl)ccc3Cl)cc2)c1	ZINC000001883683	569056890	/nfs/dbraw/zinc/05/68/90/569056890.db2.gz	NMQHKQBAOLCKBY-WYMPLXKRSA-N	-1	3	400.261	5.977	50	30		HKEAHM
Cc1cc2nc(-c3ccc(C)c(/N=C/c4c([O-])ccc5ccccc54)c3)oc2c(C)c1	ZINC000001884438	569056969	/nfs/dbraw/zinc/05/69/69/569056969.db2.gz	GURPIKTYNAESLO-RWPZCVJISA-N	-1	3	406.485	7.029	50	30		HKEAHM
CCOc1ccc(-c2nc3cc(/N=C/c4c([O-])ccc5ccccc54)ccc3o2)cc1	ZINC000001885063	569056963	/nfs/dbraw/zinc/05/69/63/569056963.db2.gz	BHXKWIXRPGSVCW-JVWAILMASA-N	-1	3	408.457	6.503	50	30		HKEAHM
CCCCCCCn1c2ccccc2nc1NCc1cc(Br)ccc1[O-]	ZINC000001902472	569057396	/nfs/dbraw/zinc/05/73/96/569057396.db2.gz	QKSMULQWSTYCKG-UHFFFAOYSA-N	-1	3	416.363	6.087	50	30		HKEAHM
[O-]c1ccc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1	ZINC000001946580	569059858	/nfs/dbraw/zinc/05/98/58/569059858.db2.gz	WTXYKFHWNUCMOT-YSURURNPSA-N	-1	3	417.679	6.911	50	30		HKEAHM
[O-]c1ccc(Cl)cc1/C=N/c1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1	ZINC000001946584	569059854	/nfs/dbraw/zinc/05/98/54/569059854.db2.gz	RANVMXCBBQBWLD-YSURURNPSA-N	-1	3	417.679	6.911	50	30		HKEAHM
Cc1ccc2oc(-c3cccc(/N=C/c4cc(Cc5ccccc5)ccc4[O-])c3)nc2c1	ZINC000001947828	569059967	/nfs/dbraw/zinc/05/99/67/569059967.db2.gz	VZKHTHOHSXOUJB-RDRPBHBLSA-N	-1	3	418.496	6.850	50	30		HKEAHM
Cc1ccc2oc(-c3ccc(/N=C/c4cc(Cc5ccccc5)ccc4[O-])cc3)nc2c1	ZINC000001947830	569059976	/nfs/dbraw/zinc/05/99/76/569059976.db2.gz	HXZLLVRMAHPHQM-RDRPBHBLSA-N	-1	3	418.496	6.850	50	30		HKEAHM
[O-]c1ccc(Br)cc1/C=N/c1ccccc1-c1nc2ccccc2s1	ZINC000001954827	558776339	/nfs/dbraw/zinc/77/63/39/558776339.db2.gz	USQUYJHWQMXRNV-WSDLNYQXSA-N	-1	3	409.308	6.182	50	30		HKEAHM
CC(C)(C)c1ccc(C(=O)Nc2cccc(/N=C/c3c([O-])ccc4ccccc43)c2)cc1	ZINC000001955306	569059911	/nfs/dbraw/zinc/05/99/11/569059911.db2.gz	BQADPJSZQRAKDT-RDRPBHBLSA-N	-1	3	422.528	6.846	50	30		HKEAHM
[O-]c1ccc(Cl)cc1/C=N/c1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1	ZINC000001958790	569059948	/nfs/dbraw/zinc/05/99/48/569059948.db2.gz	NIALMGCWMHMVGU-YSURURNPSA-N	-1	3	417.679	6.911	50	30		HKEAHM
Cc1ccc2oc(-c3ccc(/N=C/c4c([O-])cc(C)c(Cl)c4C)c(C)c3)nc2c1	ZINC000002053126	557301642	/nfs/dbraw/zinc/30/16/42/557301642.db2.gz	ICWMMUTWUCVMMQ-RPPGKUMJSA-N	-1	3	404.897	6.838	50	30		HKEAHM
Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1c([O-])ccc2ccccc21	ZINC000002055613	557302751	/nfs/dbraw/zinc/30/27/51/557302751.db2.gz	MMGJGYSZNXSKBH-MZJWZYIUSA-N	-1	3	412.876	7.066	50	30		HKEAHM
N#Cc1c([N-]C(=O)c2sc3cc(Cl)ccc3c2Cl)sc2c1CCCC2	ZINC000002063767	569072926	/nfs/dbraw/zinc/07/29/26/569072926.db2.gz	SNRBHNRNMBFZDR-UHFFFAOYSA-N	-1	3	407.347	6.272	50	30		HKEAHM
Cc1ccc2oc(-c3ccc(/N=C/c4cccc(-c5ccccc5)c4[O-])cc3)nc2c1	ZINC000002067240	557306171	/nfs/dbraw/zinc/30/61/71/557306171.db2.gz	HRZQGPGURSBFRC-OGLMXYFKSA-N	-1	3	404.469	6.926	50	30		HKEAHM
Cc1ccc2nc(-c3ccc(/N=C/c4cccc(-c5ccccc5)c4[O-])cc3)sc2c1	ZINC000002067242	557306084	/nfs/dbraw/zinc/30/60/84/557306084.db2.gz	LMXZVEXYZINABF-OGLMXYFKSA-N	-1	3	420.537	7.395	50	30		HKEAHM
CCOc1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)ccc1[O-]	ZINC000002075609	557308239	/nfs/dbraw/zinc/30/82/39/557308239.db2.gz	UBSSYDOYBWUFQK-OGLMXYFKSA-N	-1	3	408.457	6.340	50	30		HKEAHM
Cc1ccc2c(Cl)c(C(=O)[N-]c3sc4c(c3C#N)CCCCCC4)sc2c1	ZINC000002081593	569277766	/nfs/dbraw/zinc/27/77/66/569277766.db2.gz	ISOZHORCUNKSOE-UHFFFAOYSA-N	-1	3	414.983	6.708	50	30		HKEAHM
CC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3cc(F)c(F)cc3Cl)sc2C1	ZINC000002082842	569277822	/nfs/dbraw/zinc/27/78/22/569277822.db2.gz	GZTHPPYCOZPAAZ-JTQLQIEISA-N	-1	3	408.901	5.955	50	30		HKEAHM
CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cc(F)c(F)cc3Cl)sc2C1	ZINC000002082843	569277854	/nfs/dbraw/zinc/27/78/54/569277854.db2.gz	GZTHPPYCOZPAAZ-SNVBAGLBSA-N	-1	3	408.901	5.955	50	30		HKEAHM
N#Cc1c([N-]C(=O)c2sc3ccccc3c2Cl)sc2c1CCCCCC2	ZINC000002083739	569277995	/nfs/dbraw/zinc/27/79/95/569277995.db2.gz	GPNHRHAOIDXUPM-UHFFFAOYSA-N	-1	3	400.956	6.399	50	30		HKEAHM
N#Cc1c([N-]C(=O)c2sc3cc(Cl)ccc3c2Cl)sc2c1CCCCC2	ZINC000002088530	569277902	/nfs/dbraw/zinc/27/79/02/569277902.db2.gz	KHVVDIZKLDLVKQ-UHFFFAOYSA-N	-1	3	421.374	6.662	50	30		HKEAHM
CSc1ccc(Cl)c(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CCCC3)c1	ZINC000002108964	569281413	/nfs/dbraw/zinc/28/14/13/569281413.db2.gz	LUYHPVBZNDXHGD-UHFFFAOYSA-N	-1	3	422.000	5.001	50	30		HKEAHM
CCn1cc(Cl)c(C(=O)[N-]c2sc3c(c2C#N)CCCCCCCCCC3)n1	ZINC000002113090	569283972	/nfs/dbraw/zinc/28/39/72/569283972.db2.gz	NFDGZRQDTVPKBH-UHFFFAOYSA-N	-1	3	418.994	5.961	50	30		HKEAHM
[O-]c1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(O)cc4)cc3)cc2)cc1	ZINC000002143593	569009528	/nfs/dbraw/zinc/00/95/28/569009528.db2.gz	IJCNUYVKXSZHSF-UOSOPFLXSA-N	-1	3	406.485	6.190	50	30		HKEAHM
CCCCCn1c2ccccc2nc1/N=C/c1c2c(ccc1[O-])oc1c2CCCC1	ZINC000002157140	557320207	/nfs/dbraw/zinc/32/02/07/557320207.db2.gz	YHBWHZUJURZQSX-WGOQTCKBSA-N	-1	3	401.510	6.308	50	30		HKEAHM
CCCCCCn1c2ccccc2nc1/N=C/c1c2c(ccc1[O-])oc1c2CCCC1	ZINC000002157146	557320080	/nfs/dbraw/zinc/32/00/80/557320080.db2.gz	RTRFYPABSIIFKF-WPWMEQJKSA-N	-1	3	415.537	6.698	50	30		HKEAHM
Cc1cc(-c2ccc(/N=C/c3cccc(O)c3)c(C)c2)ccc1/N=C/c1cccc([O-])c1	ZINC000002181547	557322910	/nfs/dbraw/zinc/32/29/10/557322910.db2.gz	XZSNDZJWOSCDED-YAGSLNJISA-N	-1	3	420.512	6.883	50	30		HKEAHM
N#Cc1c([N-]C(=S)NC(=O)c2ccccc2Cl)sc2c1CCCCCC2	ZINC000002190707	569293724	/nfs/dbraw/zinc/29/37/24/569293724.db2.gz	AIFOWXOCGXSATK-UHFFFAOYSA-N	-1	3	403.960	5.059	50	30		HKEAHM
CCOC(=O)c1sc([N-]C(=O)c2ccc(-c3cccc(Cl)c3)o2)c(C#N)c1C	ZINC000002231095	569319681	/nfs/dbraw/zinc/31/96/81/569319681.db2.gz	JSZAGANPOXBDTG-UHFFFAOYSA-N	-1	3	414.870	5.271	50	30		HKEAHM
N#Cc1c2c(sc1NCc1c([O-])ccc3ccccc31)CCCCCCCCCC2	ZINC000002249028	569324409	/nfs/dbraw/zinc/32/44/09/569324409.db2.gz	USMDRONJMQJULI-UHFFFAOYSA-N	-1	3	418.606	7.310	50	30		HKEAHM
CCCCCCCCCn1c2ccccc2nc1/N=C/c1c([O-])ccc2ccccc21	ZINC000002266583	569325913	/nfs/dbraw/zinc/32/59/13/569325913.db2.gz	DHJBTEPKYNWMKH-VFCFBJKWSA-N	-1	3	413.565	7.396	50	30		HKEAHM
[O-]c1ccc(/N=C/c2ccc(-c3ccc(-c4ccc5ccccc5n4)s3)s2)cc1	ZINC000002267302	569325781	/nfs/dbraw/zinc/32/57/81/569325781.db2.gz	MJMJOTBCKIXWSJ-MFKUBSTISA-N	-1	3	412.539	7.148	50	30		HKEAHM
CCCCCCn1c2ccccc2nc1/N=C/c1cc(Br)ccc1[O-]	ZINC000002270047	569326590	/nfs/dbraw/zinc/32/65/90/569326590.db2.gz	DVIUBBOOIWHVBH-HYARGMPZSA-N	-1	3	400.320	5.835	50	30		HKEAHM
Cc1ccn2c(c1)nc(-c1ccccc1)c2/N=C/c1cc(Br)ccc1[O-]	ZINC000002282592	569364222	/nfs/dbraw/zinc/36/42/22/569364222.db2.gz	PYGAVKDJAHOLCG-YDZHTSKRSA-N	-1	3	406.283	5.528	50	30		HKEAHM
CCc1ccc(N=C([N-]C(=O)Nc2cccc(Cl)c2)Nc2nc(C)cc(C)n2)cc1	ZINC000002283864	557334302	/nfs/dbraw/zinc/33/43/02/557334302.db2.gz	OJMQRCKPSONDTA-UHFFFAOYSA-N	-1	3	422.920	5.231	50	30		HKEAHM
CCOC(=O)c1c(-c2ccccc2)csc1/N=C/c1c([O-])ccc2ccccc21	ZINC000002284234	557685587	/nfs/dbraw/zinc/68/55/87/557685587.db2.gz	LJUIVKXADGNFOU-AFUMVMLFSA-N	-1	3	401.487	6.201	50	30		HKEAHM
Cc1ccn2cc(-c3cccc(/N=C/c4cc(Br)ccc4[O-])c3)nc2c1	ZINC000002288481	569364774	/nfs/dbraw/zinc/36/47/74/569364774.db2.gz	UZBWOMFYAFWXKQ-FSJBWODESA-N	-1	3	406.283	5.528	50	30		HKEAHM
N#Cc1c(Cl)[n-]c(=NNc2c(F)c(F)c(F)c(F)c2F)c(Cl)c1Cl	ZINC000002297416	569369551	/nfs/dbraw/zinc/36/95/51/569369551.db2.gz	KEXQZVCTJAATRD-UHFFFAOYSA-N	-1	3	403.525	5.048	50	30		HKEAHM
[O-]c1ccc2ccccc2c1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl	ZINC000002304558	557335578	/nfs/dbraw/zinc/33/55/78/557335578.db2.gz	FIFCMKLROGAORN-LSHDLFTRSA-N	-1	3	415.305	5.282	50	30		HKEAHM
CCOC(=O)c1sc([N-]C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c(C#N)c1C	ZINC000002450366	569403891	/nfs/dbraw/zinc/40/38/91/569403891.db2.gz	JVMBKCCTEWFOKH-UHFFFAOYSA-N	-1	3	414.870	5.271	50	30		HKEAHM
O=S(=O)([N-]c1ccc(F)cc1)c1ccc(/N=C/c2c(O)ccc3ccccc32)cc1	ZINC000002478010	557351428	/nfs/dbraw/zinc/35/14/28/557351428.db2.gz	BTFXHTMZCYIQQA-MFKUBSTISA-N	-1	3	420.465	5.236	50	30		HKEAHM
CCc1c(C)sc([N-]C(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)c1C#N	ZINC000002739045	568804681	/nfs/dbraw/zinc/80/46/81/568804681.db2.gz	MDKQKWQKRFVRFS-UHFFFAOYSA-N	-1	3	420.321	6.013	50	30		HKEAHM
CC[C@H]1CCc2c(C#N)c([N-]C(=O)c3sc4cc(C)ccc4c3Cl)sc2C1	ZINC000002740754	568805841	/nfs/dbraw/zinc/80/58/41/568805841.db2.gz	HIZYWJJNDYLGKM-LBPRGKRZSA-N	-1	3	414.983	6.564	50	30		HKEAHM
CC[C@@H]1CCc2c(C#N)c([N-]C(=O)c3sc4cc(C)ccc4c3Cl)sc2C1	ZINC000002740755	568805866	/nfs/dbraw/zinc/80/58/66/568805866.db2.gz	HIZYWJJNDYLGKM-GFCCVEGCSA-N	-1	3	414.983	6.564	50	30		HKEAHM
Cc1ccc2c(Cl)c(C(=O)[N-]c3sc4c(c3C#N)CC[C@H](C)C4)sc2c1	ZINC000002740805	568805769	/nfs/dbraw/zinc/80/57/69/568805769.db2.gz	KIZMYOHRYJHAKC-JTQLQIEISA-N	-1	3	400.956	6.173	50	30		HKEAHM
Cc1ccc2c(Cl)c(C(=O)[N-]c3sc4c(c3C#N)CC[C@@H](C)C4)sc2c1	ZINC000002740806	568805763	/nfs/dbraw/zinc/80/57/63/568805763.db2.gz	KIZMYOHRYJHAKC-SNVBAGLBSA-N	-1	3	400.956	6.173	50	30		HKEAHM
Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1sc2c(c1C#N)CC[C@H](C)C2	ZINC000002742575	557753600	/nfs/dbraw/zinc/75/36/00/557753600.db2.gz	WAQRKCMFBXWWFB-NSHDSACASA-N	-1	3	411.914	5.614	50	30		HKEAHM
Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1sc2c(c1C#N)CC[C@@H](C)C2	ZINC000002742576	568805789	/nfs/dbraw/zinc/80/57/89/568805789.db2.gz	WAQRKCMFBXWWFB-LLVKDONJSA-N	-1	3	411.914	5.614	50	30		HKEAHM
Cc1ccc2c(Cl)c(C(=O)[N-]c3sc4c(c3C#N)CCCCC4)sc2c1	ZINC000002746135	568806050	/nfs/dbraw/zinc/80/60/50/568806050.db2.gz	UIQZXPXSBXZFOA-UHFFFAOYSA-N	-1	3	400.956	6.318	50	30		HKEAHM
O=C(Nc1ccc(Cl)cc1)c1c(/N=C/c2ccc([O-])cc2)sc2c1CCCC2	ZINC000002749404	557757427	/nfs/dbraw/zinc/75/74/27/557757427.db2.gz	XGSWDJDAKYYIAX-ZMOGYAJESA-N	-1	3	410.926	5.989	50	30		HKEAHM
[O-]c1ccc(Br)cc1/C=N/c1ccc2oc(-c3ccc(F)cc3)nc2c1	ZINC000002751455	557757835	/nfs/dbraw/zinc/75/78/35/557757835.db2.gz	WCFMSLCDPWQYFB-FOKLQQMPSA-N	-1	3	411.230	5.853	50	30		HKEAHM
Cc1ccc(C)c(-c2csc([N-]C(=O)c3ccc(Br)o3)c2C#N)c1	ZINC000002773253	568807830	/nfs/dbraw/zinc/80/78/30/568807830.db2.gz	VUDUUPNUDWFZNN-UHFFFAOYSA-N	-1	3	401.285	5.511	50	30		HKEAHM
Cc1cc(-c2ccc(/N=C/c3ccc(O)cc3)c(C)c2)ccc1/N=C/c1ccc([O-])cc1	ZINC000002832071	557397922	/nfs/dbraw/zinc/39/79/22/557397922.db2.gz	AURJOOXMHJZRBA-YAGSLNJISA-N	-1	3	420.512	6.883	50	30		HKEAHM
N#Cc1c2c(sc1[N-]C(=O)c1ccc(COc3ccccc3Cl)o1)CCCC2	ZINC000002835616	568812736	/nfs/dbraw/zinc/81/27/36/568812736.db2.gz	XRHJVGJXWKJOSH-UHFFFAOYSA-N	-1	3	412.898	5.576	50	30		HKEAHM
N#Cc1c([N-]C(=S)NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCCCC2	ZINC000002841005	568812723	/nfs/dbraw/zinc/81/27/23/568812723.db2.gz	JHXFSFMLLFBFCN-UHFFFAOYSA-N	-1	3	424.378	5.322	50	30		HKEAHM
C=CCOc1ccc([C@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2[O-])cc1	ZINC000002868345	568509217	/nfs/dbraw/zinc/50/92/17/568509217.db2.gz	YBQZNPWDYHDXNP-QFIPXVFZSA-N	-1	3	417.896	5.755	50	30		HKEAHM
C=CCOc1ccc([C@@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2[O-])cc1	ZINC000002868346	568509387	/nfs/dbraw/zinc/50/93/87/568509387.db2.gz	YBQZNPWDYHDXNP-JOCHJYFZSA-N	-1	3	417.896	5.755	50	30		HKEAHM
Cc1sc([N-]C(=S)NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c(C#N)c1C	ZINC000002890412	568814902	/nfs/dbraw/zinc/81/49/02/568814902.db2.gz	NWLBUPHQCRJMPU-UHFFFAOYSA-N	-1	3	415.927	5.277	50	30		HKEAHM
[O-]c1cccc(/C=N/c2ccc(Cc3ccc(/N=C/c4cccc(O)c4)cc3)cc2)c1	ZINC000002895177	557770431	/nfs/dbraw/zinc/77/04/31/557770431.db2.gz	NGJOVNYGUDERLF-UOSOPFLXSA-N	-1	3	406.485	6.190	50	30		HKEAHM
CCCCCCCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1	ZINC000002903096	557424916	/nfs/dbraw/zinc/42/49/16/557424916.db2.gz	KNKHYTZMJCDIMI-UHFFFAOYSA-N	-1	3	424.950	5.660	50	30		HKEAHM
CCOc1cc(/C=N/[O-])cc(Br)c1OCc1cccc2ccccc21	ZINC000002989454	557437543	/nfs/dbraw/zinc/43/75/43/557437543.db2.gz	ZUHFTTYKQUOKNR-WSDLNYQXSA-N	-1	3	400.272	5.388	50	30		HKEAHM
COc1cc(/C=N/N=C2c3ccccc3-c3ccccc32)cc(Br)c1[O-]	ZINC000003001741	557440085	/nfs/dbraw/zinc/44/00/85/557440085.db2.gz	FECRIOQXXKSTTQ-FSJBWODESA-N	-1	3	407.267	5.015	50	30		HKEAHM
O=[N+]([O-])c1cccc(/C=C/C=N/c2ccc([O-])c(-c3nc4ccccc4s3)c2)c1	ZINC000003025694	557782330	/nfs/dbraw/zinc/78/23/30/557782330.db2.gz	FVXQYYOPOFCDSO-KUZNRIHWSA-N	-1	3	401.447	5.993	50	30		HKEAHM
[O-]c1ccc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1	ZINC000003049805	557443287	/nfs/dbraw/zinc/44/32/87/557443287.db2.gz	BJZQCBSUBXTRSC-YSURURNPSA-N	-1	3	417.679	6.911	50	30		HKEAHM
Cc1cc([O-])c(/C=N/c2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c(C)c1Cl	ZINC000003066646	568853435	/nfs/dbraw/zinc/85/34/35/568853435.db2.gz	PJJXQHJSAZNYAS-OPEKNORGSA-N	-1	3	411.288	6.875	50	30		HKEAHM
Cc1cc2nc(-c3ccc(/N=C/c4c([O-])cc(C)c(Cl)c4C)cc3)oc2cc1C	ZINC000003082937	569322896	/nfs/dbraw/zinc/32/28/96/569322896.db2.gz	YXNVHCGREDSAKQ-RPPGKUMJSA-N	-1	3	404.897	6.838	50	30		HKEAHM
Cc1ccc2sc(-c3ccc(/N=C/c4cc(Br)ccc4[O-])cc3)nc2c1	ZINC000003083272	558747663	/nfs/dbraw/zinc/74/76/63/558747663.db2.gz	YPVSNABBUIPSSP-FSJBWODESA-N	-1	3	423.335	6.490	50	30		HKEAHM
Cc1cc([O-])c(/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c(C)c1Cl	ZINC000003085008	558747733	/nfs/dbraw/zinc/74/77/33/558747733.db2.gz	SZDDPIHIDYFEGJ-OPEKNORGSA-N	-1	3	411.288	6.875	50	30		HKEAHM
Cc1ccc(-c2nc3cc(/N=C/c4cc(Br)ccc4[O-])ccc3o2)cc1C	ZINC000003087845	558748243	/nfs/dbraw/zinc/74/82/43/558748243.db2.gz	NRRKQMVOHDNJPD-WYMPLXKRSA-N	-1	3	421.294	6.330	50	30		HKEAHM
Cc1cc([O-])c(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1C	ZINC000003092136	568854679	/nfs/dbraw/zinc/85/46/79/568854679.db2.gz	AJODHPWNQVSJIH-WSDLNYQXSA-N	-1	3	407.382	5.368	50	30		HKEAHM
Cc1ccc2nc(-c3ccc(/N=C/c4cc(Br)ccc4[O-])cc3)oc2c1	ZINC000003092309	568854696	/nfs/dbraw/zinc/85/46/96/568854696.db2.gz	UOVLLHDCXSJXET-FSJBWODESA-N	-1	3	407.267	6.022	50	30		HKEAHM
CC(C)(C)c1ccc(-c2nc3ccc(/N=C/c4cc(Cl)ccc4[O-])cc3o2)cc1	ZINC000003102928	557446665	/nfs/dbraw/zinc/44/66/65/557446665.db2.gz	JQRFWCHFWXOMAD-VULFUBBASA-N	-1	3	404.897	6.902	50	30		HKEAHM
[O-]c1ccc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(F)cc3Cl)nc2c1	ZINC000003113943	569322958	/nfs/dbraw/zinc/32/29/58/569322958.db2.gz	KKCUNGAOSRPGFA-YSURURNPSA-N	-1	3	401.224	6.397	50	30		HKEAHM
Cc1cccc2oc(-c3ccc(/N=C/c4cc(Br)ccc4[O-])cc3)nc21	ZINC000003114104	568856261	/nfs/dbraw/zinc/85/62/61/568856261.db2.gz	JQGBGXAUWHGOHH-FSJBWODESA-N	-1	3	407.267	6.022	50	30		HKEAHM
Cc1ccc(/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)c([O-])c1	ZINC000003116189	560571865	/nfs/dbraw/zinc/57/18/65/560571865.db2.gz	MWZGCYZSSQXMSM-YDZHTSKRSA-N	-1	3	410.267	5.433	50	30		HKEAHM
O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4cc5ccccc5cc4[O-])nc3c2)c1	ZINC000003116231	568856499	/nfs/dbraw/zinc/85/64/99/568856499.db2.gz	BSDSWQQBTIMUTQ-AFUMVMLFSA-N	-1	3	409.401	6.012	50	30		HKEAHM
O=C(NC([N-]c1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F)c1ccccc1	ZINC000003138652	557450541	/nfs/dbraw/zinc/45/05/41/557450541.db2.gz	DUSDEDSVUQBGLB-UHFFFAOYSA-N	-1	3	414.708	5.142	50	30		HKEAHM
[O-]c1ccccc1/C=N/c1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1	ZINC000003166155	557452365	/nfs/dbraw/zinc/45/23/65/557452365.db2.gz	SQJDKYRAPCNDFI-ZTKZIYFRSA-N	-1	3	415.496	6.663	50	30		HKEAHM
Cc1cc([O-])c(/N=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1C	ZINC000003170263	568859392	/nfs/dbraw/zinc/85/93/92/568859392.db2.gz	FFJHOAJHNRWDML-WSDLNYQXSA-N	-1	3	407.382	5.368	50	30		HKEAHM
Cc1cc([O-])c(/C=N/c2ccc3oc(-c4cccc(Cl)c4)nc3c2)c(C)c1Cl	ZINC000003211199	568846681	/nfs/dbraw/zinc/84/66/81/568846681.db2.gz	FWHJPANWJRCPCC-OPEKNORGSA-N	-1	3	411.288	6.875	50	30		HKEAHM
Cn1c(C(C#N)=C([O-])c2cc(-c3ccccc3)nc3ccccc32)nc2ccccc21	ZINC000003221913	568847447	/nfs/dbraw/zinc/84/74/47/568847447.db2.gz	QIBPSWNISXNPIB-FQEVSTJZSA-N	-1	3	402.457	5.279	50	30		HKEAHM
O=C([N-]c1cc(SC(F)(F)F)ccc1Cl)c1c(F)c(F)c(F)c(F)c1F	ZINC000003257464	568868597	/nfs/dbraw/zinc/86/85/97/568868597.db2.gz	BPBAEQWKBLUSRM-UHFFFAOYSA-N	-1	3	421.696	5.900	50	30		HKEAHM
N#Cc1ccc(Cl)cc1[N-]C(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl	ZINC000003306529	560591834	/nfs/dbraw/zinc/59/18/34/560591834.db2.gz	ZYZMZYHWWTZEJI-UHFFFAOYSA-N	-1	3	416.116	6.639	50	30		HKEAHM
[O-]c1ccc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1Oc1cccc(F)c1	ZINC000003666202	568867229	/nfs/dbraw/zinc/86/72/29/568867229.db2.gz	GGNIWXIKJBJTOO-KBKYJPHKSA-N	-1	3	409.766	6.746	50	30		HKEAHM
Cc1cc2c(cc1C)N[C@@H](c1c([O-])ccc3ccccc31)C1=C(CC(C)(C)CC1=O)N2	ZINC000004052429	568936594	/nfs/dbraw/zinc/93/65/94/568936594.db2.gz	JZIOHWARPXGHTM-SANMLTNESA-N	-1	3	412.533	6.384	50	30		HKEAHM
Cc1cc2c(cc1C)N[C@H](c1c([O-])ccc3ccccc31)C1=C(CC(C)(C)CC1=O)N2	ZINC000004052430	568936565	/nfs/dbraw/zinc/93/65/65/568936565.db2.gz	JZIOHWARPXGHTM-AREMUKBSSA-N	-1	3	412.533	6.384	50	30		HKEAHM
CCc1ccc2oc(-c3cccc(/N=C/c4cc(Br)ccc4[O-])c3)nc2c1	ZINC000004150504	568946914	/nfs/dbraw/zinc/94/69/14/568946914.db2.gz	NYEHBPHARDZEES-ZMOGYAJESA-N	-1	3	421.294	6.276	50	30		HKEAHM
Cc1c(/N=C/c2cc(Br)ccc2[O-])cccc1-c1nc2ccccc2o1	ZINC000004150558	568946975	/nfs/dbraw/zinc/94/69/75/568946975.db2.gz	BZJOESSJEKFGBG-FSJBWODESA-N	-1	3	407.267	6.022	50	30		HKEAHM
CCOc1cc(Br)cc(/C=N/c2sc3c(c2C#N)CCCC3)c1[O-]	ZINC000004150690	568946980	/nfs/dbraw/zinc/94/69/80/568946980.db2.gz	JFNCLIGCMKCRMX-UFFVCSGVSA-N	-1	3	405.317	5.116	50	30		HKEAHM
CCCCCCOc1cccc(N2C(=O)C([O-])=C(C(C)=O)[C@H]2c2ccc(F)cc2)c1	ZINC000004171250	568921453	/nfs/dbraw/zinc/92/14/53/568921453.db2.gz	IRDAAVWOMDEZOV-JOCHJYFZSA-N	-1	3	411.473	5.274	50	30		HKEAHM
CCCCCCOc1cccc(N2C(=O)C(=O)C(=C(C)[O-])[C@H]2c2ccc(F)cc2)c1	ZINC000004171250	568921455	/nfs/dbraw/zinc/92/14/55/568921455.db2.gz	IRDAAVWOMDEZOV-JOCHJYFZSA-N	-1	3	411.473	5.274	50	30		HKEAHM
CCCCCCOc1cccc(N2C(=O)C([O-])=C(C(C)=O)[C@@H]2c2ccc(F)cc2)c1	ZINC000004171251	568921472	/nfs/dbraw/zinc/92/14/72/568921472.db2.gz	IRDAAVWOMDEZOV-QFIPXVFZSA-N	-1	3	411.473	5.274	50	30		HKEAHM
CCCCCCOc1cccc(N2C(=O)C(=O)C(=C(C)[O-])[C@@H]2c2ccc(F)cc2)c1	ZINC000004171251	568921474	/nfs/dbraw/zinc/92/14/74/568921474.db2.gz	IRDAAVWOMDEZOV-QFIPXVFZSA-N	-1	3	411.473	5.274	50	30		HKEAHM
Cc1ccc(C(c2ccc(C)o2)c2ccc(/N=C/c3cc(Cl)ccc3[O-])cc2)o1	ZINC000004280953	557535766	/nfs/dbraw/zinc/53/57/66/557535766.db2.gz	FIBBQMNTVSERTF-VULFUBBASA-N	-1	3	405.881	6.779	50	30		HKEAHM
Cc1ccc(C(c2ccc(C)o2)c2ccc(/N=C/c3c([O-])ccc4ccccc34)cc2)o1	ZINC000004280959	557535752	/nfs/dbraw/zinc/53/57/52/557535752.db2.gz	RDPFWIZNVGEDQV-STBIYBPSSA-N	-1	3	421.496	7.279	50	30		HKEAHM
CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1cc(Br)ccc1[O-]	ZINC000004300165	557537363	/nfs/dbraw/zinc/53/73/63/557537363.db2.gz	CFKLMPBXVWYIFK-FBCYGCLPSA-N	-1	3	408.510	5.951	50	30		HKEAHM
Cc1cccc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2ccc(C(C)C)cc2)n1	ZINC000004311957	568961150	/nfs/dbraw/zinc/96/11/50/568961150.db2.gz	DUJWEXPTWKQUEI-OAQYLSRUSA-N	-1	3	418.518	5.358	50	30		HKEAHM
Cc1cccc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(C(C)C)cc2)n1	ZINC000004311957	568961151	/nfs/dbraw/zinc/96/11/51/568961151.db2.gz	DUJWEXPTWKQUEI-OAQYLSRUSA-N	-1	3	418.518	5.358	50	30		HKEAHM
Cc1cccc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2ccc(C(C)C)cc2)n1	ZINC000004311958	568961116	/nfs/dbraw/zinc/96/11/16/568961116.db2.gz	DUJWEXPTWKQUEI-NRFANRHFSA-N	-1	3	418.518	5.358	50	30		HKEAHM
Cc1cccc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(C(C)C)cc2)n1	ZINC000004311958	568961117	/nfs/dbraw/zinc/96/11/17/568961117.db2.gz	DUJWEXPTWKQUEI-NRFANRHFSA-N	-1	3	418.518	5.358	50	30		HKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)sc1C	ZINC000004312024	568961138	/nfs/dbraw/zinc/96/11/38/568961138.db2.gz	SORJVTOMIBGAMW-HXUWFJFHSA-N	-1	3	418.518	5.160	50	30		HKEAHM
Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)sc1C	ZINC000004312024	568961139	/nfs/dbraw/zinc/96/11/39/568961139.db2.gz	SORJVTOMIBGAMW-HXUWFJFHSA-N	-1	3	418.518	5.160	50	30		HKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)sc1C	ZINC000004312025	568961127	/nfs/dbraw/zinc/96/11/27/568961127.db2.gz	SORJVTOMIBGAMW-FQEVSTJZSA-N	-1	3	418.518	5.160	50	30		HKEAHM
Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)sc1C	ZINC000004312025	568961128	/nfs/dbraw/zinc/96/11/28/568961128.db2.gz	SORJVTOMIBGAMW-FQEVSTJZSA-N	-1	3	418.518	5.160	50	30		HKEAHM
[O-]c1ccccc1/C=N/c1ccc(Sc2ccccc2)nc1Sc1ccccc1	ZINC000004364264	557547107	/nfs/dbraw/zinc/54/71/07/557547107.db2.gz	AMMSDZQXKFYJCY-KOEQRZSOSA-N	-1	3	414.555	6.840	50	30		HKEAHM
COc1cc(Br)cc(/C=N/CCSCc2ccccc2Cl)c1[O-]	ZINC000004390636	557550923	/nfs/dbraw/zinc/55/09/23/557550923.db2.gz	SXCALGSJCKYXPG-KEBDBYFISA-N	-1	3	414.752	5.169	50	30		HKEAHM
O=C(Nc1cccc(/N=C/c2c([O-])ccc3ccccc32)c1)c1cccc(Cl)c1	ZINC000004548980	557565885	/nfs/dbraw/zinc/56/58/85/557565885.db2.gz	QBJSCLJFEGINJZ-CVKSISIWSA-N	-1	3	400.865	6.202	50	30		HKEAHM
CCc1ccccc1NC(=O)c1c(/N=C/c2ccc([O-])cc2)sc2c1CCCC2	ZINC000004554189	558721351	/nfs/dbraw/zinc/72/13/51/558721351.db2.gz	QACSSDFFENCQDS-MFKUBSTISA-N	-1	3	404.535	5.898	50	30		HKEAHM
COc1cc(Cl)cc(/C=N/c2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1[O-]	ZINC000004600042	558835467	/nfs/dbraw/zinc/83/54/67/558835467.db2.gz	NIEFAJLQVNJLHD-BRJLIKDPSA-N	-1	3	406.869	6.230	50	30		HKEAHM
[O-]c1ccc(Cc2ccccc2)cc1/C=N/c1ccc2oc(-c3ccccc3)nc2c1	ZINC000004603065	557571554	/nfs/dbraw/zinc/57/15/54/557571554.db2.gz	WIFLIZQTUVLDJW-MTDXEUNCSA-N	-1	3	404.469	6.542	50	30		HKEAHM
[O-]c1ccc(Br)cc1CN=Nc1nc(-c2ccc(Cl)cc2)cs1	ZINC000004616667	557573197	/nfs/dbraw/zinc/57/31/97/557573197.db2.gz	WIEAUAFCVFTMIO-UFWORHAWSA-N	-1	3	408.708	5.378	50	30		HKEAHM
O=C(Nc1cccc2ccccc21)c1ccc(/N=C/c2cc(Cl)ccc2[O-])cc1	ZINC000004616765	558863230	/nfs/dbraw/zinc/86/32/30/558863230.db2.gz	PYZQCIKHMXODMV-CVKSISIWSA-N	-1	3	400.865	6.202	50	30		HKEAHM
CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ccc(Br)o3)sc2C1	ZINC000004646546	558957341	/nfs/dbraw/zinc/95/73/41/558957341.db2.gz	HKOSXKSLRKNSCO-SNVBAGLBSA-N	-1	3	407.333	5.379	50	30		HKEAHM
CC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3ccc(Br)o3)sc2C1	ZINC000004646547	558957294	/nfs/dbraw/zinc/95/72/94/558957294.db2.gz	HKOSXKSLRKNSCO-JTQLQIEISA-N	-1	3	407.333	5.379	50	30		HKEAHM
CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c([O-])c1	ZINC000004663587	557578053	/nfs/dbraw/zinc/57/80/53/557578053.db2.gz	KOVIFJGNKBCYKV-CIRUFVMISA-N	-1	3	409.599	6.073	50	30		HKEAHM
CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c([O-])c1	ZINC000004663588	557578063	/nfs/dbraw/zinc/57/80/63/557578063.db2.gz	KOVIFJGNKBCYKV-AEIQVQRHSA-N	-1	3	409.599	6.073	50	30		HKEAHM
CCN1C(=O)/C(=C\c2cc(Cl)ccc2[O-])S/C1=N\c1cccc(Cl)c1C	ZINC000004664472	557578229	/nfs/dbraw/zinc/57/82/29/557578229.db2.gz	IWVIQXMFDFULAV-PDHVABIUSA-N	-1	3	407.322	5.631	50	30		HKEAHM
O=C(Nc1ccc(/N=C/c2c([O-])ccc3ccccc32)cc1)c1cccc(Cl)c1	ZINC000004675989	558888396	/nfs/dbraw/zinc/88/83/96/558888396.db2.gz	HTRFRWSAHLFODR-CVKSISIWSA-N	-1	3	400.865	6.202	50	30		HKEAHM
N#Cc1c([N-]C(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCC2	ZINC000004690263	558893691	/nfs/dbraw/zinc/89/36/91/558893691.db2.gz	VTQNKOHSPFVSSZ-UHFFFAOYSA-N	-1	3	403.290	5.928	50	30		HKEAHM
CC(C)(C)c1ccc([O-])c(N=CC2=CC(=[NH+][N-]c3cccc(Cl)c3)C=CC2=O)c1	ZINC000004713979	558918252	/nfs/dbraw/zinc/91/82/52/558918252.db2.gz	YVVSOYHUIREDHJ-VEVCQMGESA-N	-1	3	407.901	7.215	50	30		HKEAHM
[O-]c1ccc(Cl)cc1CN=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1	ZINC000004725688	558930527	/nfs/dbraw/zinc/93/05/27/558930527.db2.gz	KZJASSYBCCMNCT-MYYYXRDXSA-N	-1	3	400.869	5.616	50	30		HKEAHM
CC(C)CCOc1ccc(/C=N/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2[O-])cc1	ZINC000004737492	559041204	/nfs/dbraw/zinc/04/12/04/559041204.db2.gz	IPEIMHXOILVXAA-RDRPBHBLSA-N	-1	3	417.593	7.036	50	30		HKEAHM
[O-]c1ccc(Br)cc1/C=N/c1ccc(CC23CC4CC(CC(C4)C2)C3)cc1	ZINC000004737563	559041242	/nfs/dbraw/zinc/04/12/42/559041242.db2.gz	GZHBNBLEZFDNRE-CVKSISIWSA-N	-1	3	424.382	6.664	50	30		HKEAHM
CN(C)c1ccc(/C=N/c2cc(C34CC5(C)CC(C)(CC(C)(C5)C3)C4)ccc2[O-])cc1	ZINC000004750631	559048939	/nfs/dbraw/zinc/04/89/39/559048939.db2.gz	MUSUBQITTQJYOH-VFLNYLIXSA-N	-1	3	416.609	6.847	50	30		HKEAHM
C=CCc1cccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)c1[O-]	ZINC000004750719	568935001	/nfs/dbraw/zinc/93/50/01/568935001.db2.gz	CFRGQKPPSLNMTE-SRZZPIQSSA-N	-1	3	414.328	5.453	50	30		HKEAHM
CC(C)(C)c1ccc([O-])c(N=CC2=CC(=[NH+][N-]c3ccc(Cl)cc3)C=CC2=O)c1	ZINC000004750950	559048929	/nfs/dbraw/zinc/04/89/29/559048929.db2.gz	RGZSSZLTYLHGJD-VEVCQMGESA-N	-1	3	407.901	7.215	50	30		HKEAHM
CC(=NC1CCCCC1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F	ZINC000004786073	559063915	/nfs/dbraw/zinc/06/39/15/559063915.db2.gz	ABNIAUACWBXWDI-FOKLQQMPSA-N	-1	3	408.449	5.348	50	30		HKEAHM
[O-]c1ccc2ccccc2c1CN=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1	ZINC000004805982	559068057	/nfs/dbraw/zinc/06/80/57/559068057.db2.gz	JSGPQOLDFZHJRX-MTDXEUNCSA-N	-1	3	416.484	6.115	50	30		HKEAHM
[O-]c1ccc(Br)cc1/C=N/c1nc(C23CC4CC(CC(C4)C2)C3)cs1	ZINC000004807944	559068574	/nfs/dbraw/zinc/06/85/74/559068574.db2.gz	AMKADJITAAIDTC-LSHDLFTRSA-N	-1	3	417.372	5.830	50	30		HKEAHM
[O-]/N=C(Nc1cc(Cl)ccc1Cl)/C(=N/O)Nc1cc(Cl)ccc1Cl	ZINC000004852058	559191319	/nfs/dbraw/zinc/19/13/19/559191319.db2.gz	BHKSLVDIUQCUGQ-UHFFFAOYSA-N	-1	3	408.072	5.400	50	30		HKEAHM
CCc1c(C)sc([N-]C(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)c1C#N	ZINC000004881198	559196516	/nfs/dbraw/zinc/19/65/16/559196516.db2.gz	PODVKTYHSKJLCY-UHFFFAOYSA-N	-1	3	406.294	5.705	50	30		HKEAHM
CN(C)c1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccccc3[O-])n2)cc1	ZINC000004947471	557616094	/nfs/dbraw/zinc/61/60/94/557616094.db2.gz	KMFNQTFYWBRRPX-YZSQISJMSA-N	-1	3	409.493	5.028	50	30		HKEAHM
[O-]c1ccccc1-c1cc(-c2ccccc2)nc(N=NCc2ccccc2Cl)n1	ZINC000004947475	557616118	/nfs/dbraw/zinc/61/61/18/557616118.db2.gz	KSNZRKATRXXGLS-MFKUBSTISA-N	-1	3	400.869	5.616	50	30		HKEAHM
Cc1ccc2oc(-c3cc(NC(=O)c4ccc(C#N)cc4F)cc(C)c3[O-])nc2c1	ZINC000004988527	559223398	/nfs/dbraw/zinc/22/33/98/559223398.db2.gz	OETAORZSQAZBFT-UHFFFAOYSA-N	-1	3	401.397	5.080	50	30		HKEAHM
[O-]c1ccc2ccccc2c1CN=Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1	ZINC000004989986	557621942	/nfs/dbraw/zinc/62/19/42/557621942.db2.gz	CZMLQYVWFRVUQW-WPWMEQJKSA-N	-1	3	417.472	5.510	50	30		HKEAHM
Cc1ccc(-c2nc3ccccc3c(N=NCc3c([O-])ccc4ccccc43)n2)cc1	ZINC000004990020	557621767	/nfs/dbraw/zinc/62/17/67/557621767.db2.gz	RFLZFGHGOZRPJI-JVWAILMASA-N	-1	3	404.473	5.910	50	30		HKEAHM
CCN(CC)C(=S)SC/C(=N/[O-])c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	ZINC000005025402	559230139	/nfs/dbraw/zinc/23/01/39/559230139.db2.gz	QXCONMLJFIJECI-XLNRJJMWSA-N	-1	3	410.649	5.525	50	30		HKEAHM
COc1ccc(C(C)N=Nc2nc(-c3ccccc3)cc(-c3ccccc3[O-])n2)cc1	ZINC000005028874	557627852	/nfs/dbraw/zinc/62/78/52/557627852.db2.gz	KRZIHMADPBIKEF-OGLMXYFKSA-N	-1	3	410.477	5.361	50	30		HKEAHM
C=CCOc1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])cc1OC	ZINC000005049906	568964829	/nfs/dbraw/zinc/96/48/29/568964829.db2.gz	BGAFVCMOLWPKDA-QHCPKHFHSA-N	-1	3	413.477	5.110	50	30		HKEAHM
C=CCOc1ccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])cc1OC	ZINC000005049907	568964790	/nfs/dbraw/zinc/96/47/90/568964790.db2.gz	BGAFVCMOLWPKDA-HSZRJFAPSA-N	-1	3	413.477	5.110	50	30		HKEAHM
Cc1ccccc1N1C(=O)C(=O)C(=C([O-])c2ccc(Cl)cc2)[C@H]1c1ccccc1	ZINC000005062176	557633032	/nfs/dbraw/zinc/63/30/32/557633032.db2.gz	FHPKPJFVIFCZFU-OAQYLSRUSA-N	-1	3	403.865	5.431	50	30		HKEAHM
Cc1ccccc1N1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1	ZINC000005062176	557633034	/nfs/dbraw/zinc/63/30/34/557633034.db2.gz	FHPKPJFVIFCZFU-OAQYLSRUSA-N	-1	3	403.865	5.431	50	30		HKEAHM
Cc1ccccc1N1C(=O)C(=O)C(=C([O-])c2ccc(Cl)cc2)[C@@H]1c1ccccc1	ZINC000005062177	557633065	/nfs/dbraw/zinc/63/30/65/557633065.db2.gz	FHPKPJFVIFCZFU-NRFANRHFSA-N	-1	3	403.865	5.431	50	30		HKEAHM
Cc1ccccc1N1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1	ZINC000005062177	557633067	/nfs/dbraw/zinc/63/30/67/557633067.db2.gz	FHPKPJFVIFCZFU-NRFANRHFSA-N	-1	3	403.865	5.431	50	30		HKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cc(Br)ccc1[O-]	ZINC000005092282	557634935	/nfs/dbraw/zinc/63/49/35/557634935.db2.gz	FYUBFNFERQTIQD-FQEVSTJZSA-N	-1	3	413.315	5.377	50	30		HKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cc(Br)ccc1[O-]	ZINC000005092283	557635016	/nfs/dbraw/zinc/63/50/16/557635016.db2.gz	FYUBFNFERQTIQD-HXUWFJFHSA-N	-1	3	413.315	5.377	50	30		HKEAHM
CCC(C)(C)[C@@H]1CCc2sc3ncnc([N-]N=C4c5ccccc5NC4=O)c3c2C1	ZINC000005093834	557635178	/nfs/dbraw/zinc/63/51/78/557635178.db2.gz	FWYYPEBWJNUCQT-CYBMUJFWSA-N	-1	3	419.554	5.001	50	30		HKEAHM
COc1cc(-c2nc3cc(C)ccn3c2/N=C/c2cc(Cl)ccc2[O-])ccc1O	ZINC000005125930	559248284	/nfs/dbraw/zinc/24/82/84/559248284.db2.gz	PXBMEVQTWPOWEX-WYMPLXKRSA-N	-1	3	407.857	5.134	50	30		HKEAHM
Cc1cccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@H]2c2ccccc2F)c1	ZINC000005125982	559248272	/nfs/dbraw/zinc/24/82/72/559248272.db2.gz	JPOLKQCWAATQLF-DJKHGBOQSA-N	-1	3	413.448	5.317	50	30		HKEAHM
Cc1cccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@@H]2c2ccccc2F)c1	ZINC000005125983	559248247	/nfs/dbraw/zinc/24/82/47/559248247.db2.gz	JPOLKQCWAATQLF-XYSUMVETSA-N	-1	3	413.448	5.317	50	30		HKEAHM
C=C(C)COc1ccc(-c2n[nH]cc2Oc2ccccc2Br)c([O-])c1	ZINC000005156169	559258757	/nfs/dbraw/zinc/25/87/57/559258757.db2.gz	OMACFJXGRCXFGA-UHFFFAOYSA-N	-1	3	401.260	5.292	50	30		HKEAHM
CCc1ccc([C@@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000005156677	559260925	/nfs/dbraw/zinc/26/09/25/559260925.db2.gz	VTSAFDJFANBMJF-NRFANRHFSA-N	-1	3	413.521	5.341	50	30		HKEAHM
CCc1ccc([C@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000005156679	559260860	/nfs/dbraw/zinc/26/08/60/559260860.db2.gz	VTSAFDJFANBMJF-OAQYLSRUSA-N	-1	3	413.521	5.341	50	30		HKEAHM
C=C(C)COc1ccc(-c2n[nH]c(C)c2Oc2ccccc2Br)c([O-])c1	ZINC000005163434	559275452	/nfs/dbraw/zinc/27/54/52/559275452.db2.gz	QQGRDBOBYWEIGH-UHFFFAOYSA-N	-1	3	415.287	5.600	50	30		HKEAHM
CC[C@@H](C)c1ccc([O-])c(/N=C/c2cc(I)cc(C)c2O)c1	ZINC000005173419	559288280	/nfs/dbraw/zinc/28/82/80/559288280.db2.gz	QONJADNPGJHHOG-JZOCJUILSA-N	-1	3	409.267	5.275	50	30		HKEAHM
CC[C@H](C)c1ccc([O-])c(/N=C/c2cc(I)cc(C)c2O)c1	ZINC000005173422	559288310	/nfs/dbraw/zinc/28/83/10/559288310.db2.gz	QONJADNPGJHHOG-KKBVUKDESA-N	-1	3	409.267	5.275	50	30		HKEAHM
Cc1c(OC/C(=N/[O-])c2ccccc2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12	ZINC000005175749	559288663	/nfs/dbraw/zinc/28/86/63/559288663.db2.gz	VTWYZTGLRSGJEQ-VYIQYICTSA-N	-1	3	413.473	5.258	50	30		HKEAHM
C=CCN(CC=C)Cc1c2c(ccc1[O-])oc(C)c2C(=O)Nc1ccc(C)cc1C	ZINC000005182762	559290071	/nfs/dbraw/zinc/29/00/71/559290071.db2.gz	RVYKGODGAYYKJW-UHFFFAOYSA-N	-1	3	404.510	5.490	50	30		HKEAHM
C=CCN(CC=C)Cc1c2c(ccc1[O-])oc(C)c2C(=O)Nc1cccc(Cl)c1C	ZINC000005182777	559290081	/nfs/dbraw/zinc/29/00/81/559290081.db2.gz	GIKICPVTSHQTFU-UHFFFAOYSA-N	-1	3	424.928	5.835	50	30		HKEAHM
C/C(=N\[O-])c1ccc(NC(=O)CC2(c3ccccc3)C3CC4CC(C3)CC2C4)cc1	ZINC000005184215	557639141	/nfs/dbraw/zinc/63/91/41/557639141.db2.gz	QONBRHGQAYAGNN-OGLMXYFKSA-N	-1	3	402.538	5.608	50	30		HKEAHM
C=C(C)COc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2OC)c([O-])c1	ZINC000005185974	559290812	/nfs/dbraw/zinc/29/08/12/559290812.db2.gz	QNGAAMRKYMIISM-UHFFFAOYSA-N	-1	3	404.388	5.432	50	30		HKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000005408946	557651930	/nfs/dbraw/zinc/65/19/30/557651930.db2.gz	AOPSJHYXWFPEAW-OAQYLSRUSA-N	-1	3	416.477	5.063	50	30		HKEAHM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000005408946	557651933	/nfs/dbraw/zinc/65/19/33/557651933.db2.gz	AOPSJHYXWFPEAW-OAQYLSRUSA-N	-1	3	416.477	5.063	50	30		HKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000005408947	557651920	/nfs/dbraw/zinc/65/19/20/557651920.db2.gz	AOPSJHYXWFPEAW-NRFANRHFSA-N	-1	3	416.477	5.063	50	30		HKEAHM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000005408947	557651923	/nfs/dbraw/zinc/65/19/23/557651923.db2.gz	AOPSJHYXWFPEAW-NRFANRHFSA-N	-1	3	416.477	5.063	50	30		HKEAHM
C=C(C)COc1ccc(-c2onc(C(F)(F)F)c2-c2ccc(OC)cc2)c([O-])c1	ZINC000005427801	560585755	/nfs/dbraw/zinc/58/57/55/560585755.db2.gz	OKJGOAZSEVRTBL-UHFFFAOYSA-N	-1	3	405.372	5.697	50	30		HKEAHM
CC(C)c1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nccs2)cc1	ZINC000005464071	557655428	/nfs/dbraw/zinc/65/54/28/557655428.db2.gz	VQCCDAMKZVXIJS-LJQANCHMSA-N	-1	3	404.491	5.049	50	30		HKEAHM
CC(C)c1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nccs2)cc1	ZINC000005464130	557655365	/nfs/dbraw/zinc/65/53/65/557655365.db2.gz	VQCCDAMKZVXIJS-IBGZPJMESA-N	-1	3	404.491	5.049	50	30		HKEAHM
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(-c2nnn[n-]2)cc1	ZINC000005464958	560592024	/nfs/dbraw/zinc/59/20/24/560592024.db2.gz	MOANWOXZSBRKHF-DEOSSOPVSA-N	-1	3	421.504	5.329	50	30		HKEAHM
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(-c2nn[n-]n2)cc1	ZINC000005464958	560592025	/nfs/dbraw/zinc/59/20/25/560592025.db2.gz	MOANWOXZSBRKHF-DEOSSOPVSA-N	-1	3	421.504	5.329	50	30		HKEAHM
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(-c2nnn[n-]2)cc1	ZINC000005465018	560592028	/nfs/dbraw/zinc/59/20/28/560592028.db2.gz	MOANWOXZSBRKHF-XMMPIXPASA-N	-1	3	421.504	5.329	50	30		HKEAHM
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(-c2nn[n-]n2)cc1	ZINC000005465018	560592029	/nfs/dbraw/zinc/59/20/29/560592029.db2.gz	MOANWOXZSBRKHF-XMMPIXPASA-N	-1	3	421.504	5.329	50	30		HKEAHM
O=C1C(=O)N(c2nc3ccccc3s2)[C@H](c2ccccc2)C1=C([O-])c1ccccc1	ZINC000005484014	557656869	/nfs/dbraw/zinc/65/68/69/557656869.db2.gz	BSHFKGRWODMECK-HXUWFJFHSA-N	-1	3	412.470	5.079	50	30		HKEAHM
O=C(C1=C([O-])C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccccc1)c1ccccc1	ZINC000005484014	557656874	/nfs/dbraw/zinc/65/68/74/557656874.db2.gz	BSHFKGRWODMECK-HXUWFJFHSA-N	-1	3	412.470	5.079	50	30		HKEAHM
O=C1C(=O)N(c2nc3ccccc3s2)[C@@H](c2ccccc2)C1=C([O-])c1ccccc1	ZINC000005484072	557656800	/nfs/dbraw/zinc/65/68/00/557656800.db2.gz	BSHFKGRWODMECK-FQEVSTJZSA-N	-1	3	412.470	5.079	50	30		HKEAHM
O=C(C1=C([O-])C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccccc1)c1ccccc1	ZINC000005484072	557656802	/nfs/dbraw/zinc/65/68/02/557656802.db2.gz	BSHFKGRWODMECK-FQEVSTJZSA-N	-1	3	412.470	5.079	50	30		HKEAHM
Cc1ccc(/C(=N/N=C(\c2ccccc2)c2ccc(C)cc2O)c2ccccc2)c([O-])c1	ZINC000005542503	569021479	/nfs/dbraw/zinc/02/14/79/569021479.db2.gz	YVLDKMNHKDTCCC-QAVVBOBSSA-N	-1	3	420.512	6.005	50	30		HKEAHM
CCOc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(F)cc2)cc1	ZINC000005565182	557662422	/nfs/dbraw/zinc/66/24/22/557662422.db2.gz	LBLIVNXQJZLMPE-JOCHJYFZSA-N	-1	3	417.436	5.007	50	30		HKEAHM
CCOc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000005565184	557662312	/nfs/dbraw/zinc/66/23/12/557662312.db2.gz	LBLIVNXQJZLMPE-QFIPXVFZSA-N	-1	3	417.436	5.007	50	30		HKEAHM
CCOc1cc(-c2nc3ccccn3c2/N=C/c2ccc(SC)cc2)ccc1[O-]	ZINC000005608016	560629959	/nfs/dbraw/zinc/62/99/59/560629959.db2.gz	RDPKDSMZEWXERV-BUVRLJJBSA-N	-1	3	403.507	5.578	50	30		HKEAHM
CCC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccccc3)sc2C1	ZINC000005614593	560630982	/nfs/dbraw/zinc/63/09/82/560630982.db2.gz	HMGGAVOWLCZFLZ-OAHLLOKOSA-N	-1	3	411.596	5.288	50	30		HKEAHM
CCC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccccc3)sc2C1	ZINC000005614612	560630972	/nfs/dbraw/zinc/63/09/72/560630972.db2.gz	HMGGAVOWLCZFLZ-HNNXBMFYSA-N	-1	3	411.596	5.288	50	30		HKEAHM
C=CCOc1cccc([C@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000005659858	568965628	/nfs/dbraw/zinc/96/56/28/568965628.db2.gz	GPYVRUBQHKGPFK-DEOSSOPVSA-N	-1	3	411.505	5.719	50	30		HKEAHM
C=CCOc1cccc([C@@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000005659863	568965658	/nfs/dbraw/zinc/96/56/58/568965658.db2.gz	GPYVRUBQHKGPFK-XMMPIXPASA-N	-1	3	411.505	5.719	50	30		HKEAHM
C=CCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCCCCC2)cc1	ZINC000005830905	568825093	/nfs/dbraw/zinc/82/50/93/568825093.db2.gz	CMHBZGOQRKGLKY-HXUWFJFHSA-N	-1	3	413.543	5.061	50	30		HKEAHM
C=CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCCCCC2)cc1	ZINC000005830910	568825132	/nfs/dbraw/zinc/82/51/32/568825132.db2.gz	CMHBZGOQRKGLKY-FQEVSTJZSA-N	-1	3	413.543	5.061	50	30		HKEAHM
Cc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)cc1	ZINC000005884331	568828038	/nfs/dbraw/zinc/82/80/38/568828038.db2.gz	IGASNRIXGKPJNY-NRFANRHFSA-N	-1	3	403.865	5.431	50	30		HKEAHM
Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(Cl)c2)cc1	ZINC000005884331	568828040	/nfs/dbraw/zinc/82/80/40/568828040.db2.gz	IGASNRIXGKPJNY-NRFANRHFSA-N	-1	3	403.865	5.431	50	30		HKEAHM
C=C(C)COc1ccc(-c2n[nH]cc2Oc2ccc(C(=O)OCCC)cc2)c([O-])c1	ZINC000005923930	568829744	/nfs/dbraw/zinc/82/97/44/568829744.db2.gz	YPAMYMPZYVEJKW-UHFFFAOYSA-N	-1	3	408.454	5.096	50	30		HKEAHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1	ZINC000005988401	568834385	/nfs/dbraw/zinc/83/43/85/568834385.db2.gz	QEIXTWUUHCGFEL-OAQYLSRUSA-N	-1	3	403.865	5.431	50	30		HKEAHM
Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1	ZINC000005988401	568834386	/nfs/dbraw/zinc/83/43/86/568834386.db2.gz	QEIXTWUUHCGFEL-OAQYLSRUSA-N	-1	3	403.865	5.431	50	30		HKEAHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1	ZINC000005988405	568834431	/nfs/dbraw/zinc/83/44/31/568834431.db2.gz	QEIXTWUUHCGFEL-NRFANRHFSA-N	-1	3	403.865	5.431	50	30		HKEAHM
Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1	ZINC000005988405	568834432	/nfs/dbraw/zinc/83/44/32/568834432.db2.gz	QEIXTWUUHCGFEL-NRFANRHFSA-N	-1	3	403.865	5.431	50	30		HKEAHM
COc1cc(/C=C/C(=O)c2ccc(OCCC(C)C)cc2)cc(Br)c1[O-]	ZINC000006047101	568454833	/nfs/dbraw/zinc/45/48/33/568454833.db2.gz	HUOASQCPVYXAND-RUDMXATFSA-N	-1	3	419.315	5.484	50	30		HKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@H]2c1ccc(Cl)cc1	ZINC000006050223	557685436	/nfs/dbraw/zinc/68/54/36/557685436.db2.gz	NJLQEOZXLRLTMG-IBGZPJMESA-N	-1	3	419.912	5.432	50	30		HKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccc(Cl)cc1	ZINC000006050227	557685451	/nfs/dbraw/zinc/68/54/51/557685451.db2.gz	NJLQEOZXLRLTMG-LJQANCHMSA-N	-1	3	419.912	5.432	50	30		HKEAHM
Cc1cccc([C@@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)c2ccccc23)c1	ZINC000006132000	569014144	/nfs/dbraw/zinc/01/41/44/569014144.db2.gz	DUBHLSOYHLJNJM-FQEVSTJZSA-N	-1	3	405.457	5.051	50	30		HKEAHM
Cc1cccc([C@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)c2ccccc23)c1	ZINC000006132001	569014149	/nfs/dbraw/zinc/01/41/49/569014149.db2.gz	DUBHLSOYHLJNJM-HXUWFJFHSA-N	-1	3	405.457	5.051	50	30		HKEAHM
[O-]c1ccc2ccccc2c1CN=Nc1nc(-c2ccc(Cl)cc2Cl)cs1	ZINC000006149924	569015075	/nfs/dbraw/zinc/01/50/75/569015075.db2.gz	MEVQYEXLTMCTDE-RMORIDSASA-N	-1	3	414.317	6.422	50	30		HKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3cccnc3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000006160845	569015883	/nfs/dbraw/zinc/01/58/83/569015883.db2.gz	LXZAQVQTLQQDPU-QHCPKHFHSA-N	-1	3	412.489	5.296	50	30		HKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccnc3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000006160845	569015884	/nfs/dbraw/zinc/01/58/84/569015884.db2.gz	LXZAQVQTLQQDPU-QHCPKHFHSA-N	-1	3	412.489	5.296	50	30		HKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3cccnc3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000006160852	569015909	/nfs/dbraw/zinc/01/59/09/569015909.db2.gz	LXZAQVQTLQQDPU-HSZRJFAPSA-N	-1	3	412.489	5.296	50	30		HKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccnc3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000006160852	569015910	/nfs/dbraw/zinc/01/59/10/569015910.db2.gz	LXZAQVQTLQQDPU-HSZRJFAPSA-N	-1	3	412.489	5.296	50	30		HKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1	ZINC000006187908	569029661	/nfs/dbraw/zinc/02/96/61/569029661.db2.gz	VCSAZRPZJJCAKW-QFIPXVFZSA-N	-1	3	401.437	5.225	50	30		HKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1	ZINC000006187908	569029662	/nfs/dbraw/zinc/02/96/62/569029662.db2.gz	VCSAZRPZJJCAKW-QFIPXVFZSA-N	-1	3	401.437	5.225	50	30		HKEAHM
Cc1ccc([C@@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)c2ccccc23)cc1	ZINC000006199464	569031507	/nfs/dbraw/zinc/03/15/07/569031507.db2.gz	GRYVEWOFOKLJNC-FQEVSTJZSA-N	-1	3	405.457	5.051	50	30		HKEAHM
Cc1ccc([C@H]2c3c([n-]n(-c4ccccc4)c3=O)NC3=C2C(=O)c2ccccc23)cc1	ZINC000006199474	569031564	/nfs/dbraw/zinc/03/15/64/569031564.db2.gz	GRYVEWOFOKLJNC-HXUWFJFHSA-N	-1	3	405.457	5.051	50	30		HKEAHM
Cc1ccccc1[C@@H]1c2c([n-]n(-c3ccccc3)c2=O)NC2=C1C(=O)c1ccccc12	ZINC000006208375	569033057	/nfs/dbraw/zinc/03/30/57/569033057.db2.gz	LQSVGOYDEPKHBQ-FQEVSTJZSA-N	-1	3	405.457	5.051	50	30		HKEAHM
Cc1ccccc1[C@H]1c2c([n-]n(-c3ccccc3)c2=O)NC2=C1C(=O)c1ccccc12	ZINC000006208380	569033076	/nfs/dbraw/zinc/03/30/76/569033076.db2.gz	LQSVGOYDEPKHBQ-HXUWFJFHSA-N	-1	3	405.457	5.051	50	30		HKEAHM
[O-]c1ccc2ccccc2c1/C=N/c1ccc(/N=C/c2c(O)ccc3ccccc32)cc1	ZINC000006237925	569279804	/nfs/dbraw/zinc/27/98/04/569279804.db2.gz	AEIQAMSFNASQDD-YAGSLNJISA-N	-1	3	416.480	6.905	50	30		HKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)cc1	ZINC000006239992	569034500	/nfs/dbraw/zinc/03/45/00/569034500.db2.gz	LCYKYGDHMKJNHS-NRFANRHFSA-N	-1	3	419.864	5.132	50	30		HKEAHM
N#Cc1c([N-]C(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)sc2c1CCC2	ZINC000006240601	569034507	/nfs/dbraw/zinc/03/45/07/569034507.db2.gz	FTPAVVBTPBULFK-UHFFFAOYSA-N	-1	3	403.290	5.928	50	30		HKEAHM
Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1sc2c(c1C#N)CCCCC2	ZINC000006254104	569035298	/nfs/dbraw/zinc/03/52/98/569035298.db2.gz	PYRADUXWQSGPRH-UHFFFAOYSA-N	-1	3	411.914	5.758	50	30		HKEAHM
C=CCc1cccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c1[O-]	ZINC000006275847	569036930	/nfs/dbraw/zinc/03/69/30/569036930.db2.gz	ACMZOUSSQPMXNT-DEOSSOPVSA-N	-1	3	402.538	5.959	50	30		HKEAHM
C=CCc1cccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c1[O-]	ZINC000006275853	569036902	/nfs/dbraw/zinc/03/69/02/569036902.db2.gz	ACMZOUSSQPMXNT-XMMPIXPASA-N	-1	3	402.538	5.959	50	30		HKEAHM
COc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(Cl)cc2)c1	ZINC000006282978	557698046	/nfs/dbraw/zinc/69/80/46/557698046.db2.gz	UVEIEVWMNSWNQO-OAQYLSRUSA-N	-1	3	419.864	5.132	50	30		HKEAHM
COc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1	ZINC000006282981	557698093	/nfs/dbraw/zinc/69/80/93/557698093.db2.gz	UVEIEVWMNSWNQO-NRFANRHFSA-N	-1	3	419.864	5.132	50	30		HKEAHM
COc1cccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)c1	ZINC000006283009	569037568	/nfs/dbraw/zinc/03/75/68/569037568.db2.gz	TVCGEWCZJMRSLF-NRFANRHFSA-N	-1	3	419.864	5.132	50	30		HKEAHM
COc1ccccc1[C@@H]1C(=C([O-])c2ccccc2)C(=O)C(=O)N1c1ccc(Cl)cc1	ZINC000006283044	569037599	/nfs/dbraw/zinc/03/75/99/569037599.db2.gz	VOXJEHVUNGKAOM-OAQYLSRUSA-N	-1	3	419.864	5.132	50	30		HKEAHM
COc1ccccc1[C@H]1C(=C([O-])c2ccccc2)C(=O)C(=O)N1c1ccc(Cl)cc1	ZINC000006283060	569037565	/nfs/dbraw/zinc/03/75/65/569037565.db2.gz	VOXJEHVUNGKAOM-NRFANRHFSA-N	-1	3	419.864	5.132	50	30		HKEAHM
CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccccc3F)sc2C1	ZINC000006363907	569045978	/nfs/dbraw/zinc/04/59/78/569045978.db2.gz	LZUHRMACMIZBJY-GFCCVEGCSA-N	-1	3	415.559	5.037	50	30		HKEAHM
CC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccccc3F)sc2C1	ZINC000006363915	569045966	/nfs/dbraw/zinc/04/59/66/569045966.db2.gz	LZUHRMACMIZBJY-LBPRGKRZSA-N	-1	3	415.559	5.037	50	30		HKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(O)cc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000006406308	557701607	/nfs/dbraw/zinc/70/16/07/557701607.db2.gz	MWYIGNQWNRAXFY-NRFANRHFSA-N	-1	3	419.864	5.137	50	30		HKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(O)cc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000006406737	557701524	/nfs/dbraw/zinc/70/15/24/557701524.db2.gz	MWYIGNQWNRAXFY-OAQYLSRUSA-N	-1	3	419.864	5.137	50	30		HKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000006426993	569048728	/nfs/dbraw/zinc/04/87/28/569048728.db2.gz	VCSAZRPZJJCAKW-JOCHJYFZSA-N	-1	3	401.437	5.225	50	30		HKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000006426993	569048729	/nfs/dbraw/zinc/04/87/29/569048729.db2.gz	VCSAZRPZJJCAKW-JOCHJYFZSA-N	-1	3	401.437	5.225	50	30		HKEAHM
Cc1cccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1	ZINC000006504247	569061685	/nfs/dbraw/zinc/06/16/85/569061685.db2.gz	LEZWTISEGZSTBO-OAHLLOKOSA-N	-1	3	411.596	5.206	50	30		HKEAHM
Cc1cccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1	ZINC000006504248	569061633	/nfs/dbraw/zinc/06/16/33/569061633.db2.gz	LEZWTISEGZSTBO-HNNXBMFYSA-N	-1	3	411.596	5.206	50	30		HKEAHM
Cc1ccccc1C(=O)NC(=S)[N-]c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2	ZINC000006504652	569061717	/nfs/dbraw/zinc/06/17/17/569061717.db2.gz	OKBNCNMPNHWOPW-CQSZACIVSA-N	-1	3	411.596	5.206	50	30		HKEAHM
Cc1ccccc1C(=O)NC(=S)[N-]c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2	ZINC000006504653	569061698	/nfs/dbraw/zinc/06/16/98/569061698.db2.gz	OKBNCNMPNHWOPW-AWEZNQCLSA-N	-1	3	411.596	5.206	50	30		HKEAHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccccc2)cc1Cl	ZINC000006553798	569065445	/nfs/dbraw/zinc/06/54/45/569065445.db2.gz	PHBJCPBONAJPEI-OAQYLSRUSA-N	-1	3	403.865	5.431	50	30		HKEAHM
Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1Cl	ZINC000006553798	569065446	/nfs/dbraw/zinc/06/54/46/569065446.db2.gz	PHBJCPBONAJPEI-OAQYLSRUSA-N	-1	3	403.865	5.431	50	30		HKEAHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccccc2)cc1Cl	ZINC000006553801	569065433	/nfs/dbraw/zinc/06/54/33/569065433.db2.gz	PHBJCPBONAJPEI-NRFANRHFSA-N	-1	3	403.865	5.431	50	30		HKEAHM
Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1Cl	ZINC000006553801	569065434	/nfs/dbraw/zinc/06/54/34/569065434.db2.gz	PHBJCPBONAJPEI-NRFANRHFSA-N	-1	3	403.865	5.431	50	30		HKEAHM
Cc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(Cl)cc2)c1	ZINC000006622273	569074945	/nfs/dbraw/zinc/07/49/45/569074945.db2.gz	GTHBNSYEJROIME-OAQYLSRUSA-N	-1	3	403.865	5.431	50	30		HKEAHM
Cc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)c1	ZINC000006622273	569074946	/nfs/dbraw/zinc/07/49/46/569074946.db2.gz	GTHBNSYEJROIME-OAQYLSRUSA-N	-1	3	403.865	5.431	50	30		HKEAHM
Cc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1	ZINC000006622277	569074972	/nfs/dbraw/zinc/07/49/72/569074972.db2.gz	GTHBNSYEJROIME-NRFANRHFSA-N	-1	3	403.865	5.431	50	30		HKEAHM
Cc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1	ZINC000006622277	569074973	/nfs/dbraw/zinc/07/49/73/569074973.db2.gz	GTHBNSYEJROIME-NRFANRHFSA-N	-1	3	403.865	5.431	50	30		HKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@H]2c1ccccc1Cl	ZINC000006634175	569077483	/nfs/dbraw/zinc/07/74/83/569077483.db2.gz	KPQIZMFXGIYMKK-IBGZPJMESA-N	-1	3	419.912	5.432	50	30		HKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccccc1Cl	ZINC000006634179	569077477	/nfs/dbraw/zinc/07/74/77/569077477.db2.gz	KPQIZMFXGIYMKK-LJQANCHMSA-N	-1	3	419.912	5.432	50	30		HKEAHM
CCCCc1ccc(NC(=O)CSc2ccccc2/N=C/c2ccccc2[O-])cc1	ZINC000006635970	569280009	/nfs/dbraw/zinc/28/00/09/569280009.db2.gz	ILVBHHBDOIUACM-YZSQISJMSA-N	-1	3	418.562	6.216	50	30		HKEAHM
Cc1ccc(C(=O)CSc2nc3c(c(-c4ccc([O-])cc4)c2C#N)CCC3)cc1	ZINC000006648956	569081314	/nfs/dbraw/zinc/08/13/14/569081314.db2.gz	XWANKIULRLHMHG-UHFFFAOYSA-N	-1	3	400.503	5.098	50	30		HKEAHM
C=CCSc1nnc([N-]C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)s1	ZINC000006651666	569081537	/nfs/dbraw/zinc/08/15/37/569081537.db2.gz	WJQWDJJOAPBHBQ-UHFFFAOYSA-N	-1	3	411.430	5.347	50	30		HKEAHM
C=C(C)COc1ccc(-c2onc(C)c2-c2ccc(Br)cc2)c([O-])c1	ZINC000006669730	569086506	/nfs/dbraw/zinc/08/65/06/569086506.db2.gz	ZVGGSEMEWHTQSD-UHFFFAOYSA-N	-1	3	400.272	5.740	50	30		HKEAHM
Cc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)cc1	ZINC000006720114	569097995	/nfs/dbraw/zinc/09/79/95/569097995.db2.gz	IGASNRIXGKPJNY-OAQYLSRUSA-N	-1	3	403.865	5.431	50	30		HKEAHM
Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(Cl)c2)cc1	ZINC000006720114	569097997	/nfs/dbraw/zinc/09/79/97/569097997.db2.gz	IGASNRIXGKPJNY-OAQYLSRUSA-N	-1	3	403.865	5.431	50	30		HKEAHM
C=C(C)COc1ccc(-c2onc(C(F)(F)F)c2-c2ccc(Cl)cc2)c([O-])c1	ZINC000006756631	569112738	/nfs/dbraw/zinc/11/27/38/569112738.db2.gz	DOJZOGPLJHJRIY-UHFFFAOYSA-N	-1	3	409.791	6.341	50	30		HKEAHM
CCOc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccccc2F)cc1	ZINC000006784058	569120584	/nfs/dbraw/zinc/12/05/84/569120584.db2.gz	UNSVDUCJZOPYSR-JOCHJYFZSA-N	-1	3	417.436	5.007	50	30		HKEAHM
CCOc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccccc2F)cc1	ZINC000006784059	569120602	/nfs/dbraw/zinc/12/06/02/569120602.db2.gz	UNSVDUCJZOPYSR-QFIPXVFZSA-N	-1	3	417.436	5.007	50	30		HKEAHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@H]2c2ccccc2F)cc1	ZINC000006813150	569136712	/nfs/dbraw/zinc/13/67/12/569136712.db2.gz	VKCACPDTHBCPBG-MDOTZGTBSA-N	-1	3	413.448	5.317	50	30		HKEAHM
Cc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1	ZINC000006813183	557724426	/nfs/dbraw/zinc/72/44/26/557724426.db2.gz	DMXZAXKAPMKCLS-JOCHJYFZSA-N	-1	3	417.892	5.740	50	30		HKEAHM
Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)c(Cl)c2)cc1	ZINC000006813183	557724428	/nfs/dbraw/zinc/72/44/28/557724428.db2.gz	DMXZAXKAPMKCLS-JOCHJYFZSA-N	-1	3	417.892	5.740	50	30		HKEAHM
Cc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1	ZINC000006813220	557724385	/nfs/dbraw/zinc/72/43/85/557724385.db2.gz	DMXZAXKAPMKCLS-QFIPXVFZSA-N	-1	3	417.892	5.740	50	30		HKEAHM
Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)c(Cl)c2)cc1	ZINC000006813220	557724387	/nfs/dbraw/zinc/72/43/87/557724387.db2.gz	DMXZAXKAPMKCLS-QFIPXVFZSA-N	-1	3	417.892	5.740	50	30		HKEAHM
N#Cc1c(SCC(=O)c2ccccc2)nc2c(c1-c1ccc([O-])cc1)CCCC2	ZINC000006820240	569139343	/nfs/dbraw/zinc/13/93/43/569139343.db2.gz	NPBQJFUJSOAEFC-UHFFFAOYSA-N	-1	3	400.503	5.180	50	30		HKEAHM
N#Cc1c([N-]C(=O)c2sc3cccc(Cl)c3c2Cl)sc2c1CCCC2	ZINC000006829236	569142695	/nfs/dbraw/zinc/14/26/95/569142695.db2.gz	XZQSBCQHMCOAIP-UHFFFAOYSA-N	-1	3	407.347	6.272	50	30		HKEAHM
O=C1/C(=C\c2cc(Cl)ccc2[O-])S/C(=N\c2ccccc2)N1C1CCCCC1	ZINC000006927239	557730474	/nfs/dbraw/zinc/73/04/74/557730474.db2.gz	FQSYFLALSBWNRK-NVTWWLNUSA-N	-1	3	412.942	5.982	50	30		HKEAHM
C=CCc1cccc(/C=N/CCCCCCCCCCCCCCCCCC)c1[O-]	ZINC000008397435	557786032	/nfs/dbraw/zinc/78/60/32/557786032.db2.gz	CCHAZUUOXACWRM-XLVZBRSZSA-N	-1	3	413.690	8.801	50	30		HKEAHM
CCCCCCCCCCCCCCCCCC/N=C/c1c([O-])ccc2ccccc21	ZINC000008397447	568999524	/nfs/dbraw/zinc/99/95/24/568999524.db2.gz	JAYIUYNQPAYHPU-QCWLDUFUSA-N	-1	3	423.685	9.226	50	30		HKEAHM
O=C(/C=C/c1cccc(Oc2ccccc2)c1)c1cc(Br)ccc(=O)c1[O-]	ZINC000008398059	557786318	/nfs/dbraw/zinc/78/63/18/557786318.db2.gz	DJYNNRXECCFUOY-PKNBQFBNSA-N	-1	3	423.262	5.203	50	30		HKEAHM
CCCCCCCCOC(=O)c1ccccc1[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000008435468	557788824	/nfs/dbraw/zinc/78/88/24/557788824.db2.gz	DOLXHYXQSHZFGN-UHFFFAOYSA-N	-1	3	415.446	5.764	50	30		HKEAHM
CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cc(-c4ccc(F)cc4)on3)sc2C1	ZINC000008592908	569389883	/nfs/dbraw/zinc/38/98/83/569389883.db2.gz	SSARRILCVBOTDN-CQSZACIVSA-N	-1	3	423.513	5.817	50	30		HKEAHM
CC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3cc(-c4ccc(F)cc4)on3)sc2C1	ZINC000008592909	569389872	/nfs/dbraw/zinc/38/98/72/569389872.db2.gz	SSARRILCVBOTDN-AWEZNQCLSA-N	-1	3	423.513	5.817	50	30		HKEAHM
Cc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccccc2)cc1	ZINC000008715770	557801547	/nfs/dbraw/zinc/80/15/47/557801547.db2.gz	VPYYDXBSZUXNCV-OAQYLSRUSA-N	-1	3	403.865	5.431	50	30		HKEAHM
Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccccc2)cc1	ZINC000008715770	557801550	/nfs/dbraw/zinc/80/15/50/557801550.db2.gz	VPYYDXBSZUXNCV-OAQYLSRUSA-N	-1	3	403.865	5.431	50	30		HKEAHM
Cc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccccc2)cc1	ZINC000008715771	557801645	/nfs/dbraw/zinc/80/16/45/557801645.db2.gz	VPYYDXBSZUXNCV-NRFANRHFSA-N	-1	3	403.865	5.431	50	30		HKEAHM
Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccccc2)cc1	ZINC000008715771	557801647	/nfs/dbraw/zinc/80/16/47/557801647.db2.gz	VPYYDXBSZUXNCV-NRFANRHFSA-N	-1	3	403.865	5.431	50	30		HKEAHM
C=C(C)COc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(Cl)cc2)c([O-])c1	ZINC000008740787	568983541	/nfs/dbraw/zinc/98/35/41/568983541.db2.gz	ZLMTXGFCHVKPIE-UHFFFAOYSA-N	-1	3	408.807	6.076	50	30		HKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000008740889	557803749	/nfs/dbraw/zinc/80/37/49/557803749.db2.gz	IUAVOELSAKUTQH-QHCPKHFHSA-N	-1	3	412.489	5.296	50	30		HKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000008740889	557803753	/nfs/dbraw/zinc/80/37/53/557803753.db2.gz	IUAVOELSAKUTQH-QHCPKHFHSA-N	-1	3	412.489	5.296	50	30		HKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000008740890	557803608	/nfs/dbraw/zinc/80/36/08/557803608.db2.gz	IUAVOELSAKUTQH-HSZRJFAPSA-N	-1	3	412.489	5.296	50	30		HKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000008740890	557803611	/nfs/dbraw/zinc/80/36/11/557803611.db2.gz	IUAVOELSAKUTQH-HSZRJFAPSA-N	-1	3	412.489	5.296	50	30		HKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2ccc(C(C)C)cc2)no1	ZINC000008743529	571110839	/nfs/dbraw/zinc/11/08/39/571110839.db2.gz	PJTGDTQTLNEZBM-QFIPXVFZSA-N	-1	3	416.477	5.198	50	30		HKEAHM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(C)C)cc2)no1	ZINC000008743529	571110841	/nfs/dbraw/zinc/11/08/41/571110841.db2.gz	PJTGDTQTLNEZBM-QFIPXVFZSA-N	-1	3	416.477	5.198	50	30		HKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccc(C(C)C)cc2)no1	ZINC000008743530	571110825	/nfs/dbraw/zinc/11/08/25/571110825.db2.gz	PJTGDTQTLNEZBM-JOCHJYFZSA-N	-1	3	416.477	5.198	50	30		HKEAHM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C(C)C)cc2)no1	ZINC000008743530	571110827	/nfs/dbraw/zinc/11/08/27/571110827.db2.gz	PJTGDTQTLNEZBM-JOCHJYFZSA-N	-1	3	416.477	5.198	50	30		HKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000008770992	557806745	/nfs/dbraw/zinc/80/67/45/557806745.db2.gz	GAWSUVXJIYKUIH-LJQANCHMSA-N	-1	3	422.506	5.125	50	30		HKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000008770995	557806797	/nfs/dbraw/zinc/80/67/97/557806797.db2.gz	GAWSUVXJIYKUIH-IBGZPJMESA-N	-1	3	422.506	5.125	50	30		HKEAHM
O=C1c2ccc([O-])c(CN3CCCCC3)c2O/C1=C\c1ccc(Cl)cc1Cl	ZINC000008823636	571121630	/nfs/dbraw/zinc/12/16/30/571121630.db2.gz	LGPDWRIMQWEPRA-GRSHGNNSSA-N	-1	3	404.293	5.301	50	30		HKEAHM
O=C(Nc1ccc(F)cc1)C(=N[N-]c1cccc(C(F)(F)F)c1)C(=O)C(F)(F)F	ZINC000008873042	569390726	/nfs/dbraw/zinc/39/07/26/569390726.db2.gz	APFSBSFSPXELFN-UVHMKAGCSA-N	-1	3	421.272	5.032	50	30		HKEAHM
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)C1=C([O-])c1ccccc1	ZINC000008922053	571158866	/nfs/dbraw/zinc/15/88/66/571158866.db2.gz	JAHFGSABWULREF-FQEVSTJZSA-N	-1	3	423.390	5.488	50	30		HKEAHM
C=C(C)COc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(OC)cc2)c([O-])c1	ZINC000008973292	571197525	/nfs/dbraw/zinc/19/75/25/571197525.db2.gz	LIFGGMHVPVQMLE-UHFFFAOYSA-N	-1	3	404.388	5.432	50	30		HKEAHM
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)C1=C([O-])c1ccccc1	ZINC000008986835	571205861	/nfs/dbraw/zinc/20/58/61/571205861.db2.gz	JAHFGSABWULREF-HXUWFJFHSA-N	-1	3	423.390	5.488	50	30		HKEAHM
C=C(C)COc1ccc(-c2n[nH]c(C)c2Oc2ccc(C(=O)OCCC)cc2)c([O-])c1	ZINC000008994425	518612971	/nfs/dbraw/zinc/61/29/71/518612971.db2.gz	QFQSKKAWLPNLFP-UHFFFAOYSA-N	-1	3	422.481	5.405	50	30		HKEAHM
C=C(C)COc1ccc(-c2n[nH]c(C)c2Oc2ccc(C(=O)OCC)cc2)c([O-])c1	ZINC000008995913	571208918	/nfs/dbraw/zinc/20/89/18/571208918.db2.gz	NQISOUHTYCGOAI-UHFFFAOYSA-N	-1	3	408.454	5.015	50	30		HKEAHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(O)cc2)cc1Cl	ZINC000009014620	557819345	/nfs/dbraw/zinc/81/93/45/557819345.db2.gz	OHKBVUCLKUFLRV-OAQYLSRUSA-N	-1	3	419.864	5.137	50	30		HKEAHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(O)cc2)cc1Cl	ZINC000009014622	557819484	/nfs/dbraw/zinc/81/94/84/557819484.db2.gz	OHKBVUCLKUFLRV-NRFANRHFSA-N	-1	3	419.864	5.137	50	30		HKEAHM
COc1ccccc1[C@@H]1C(=C([O-])c2ccccc2)C(=O)C(=O)N1c1cccc(Cl)c1	ZINC000009044720	557820331	/nfs/dbraw/zinc/82/03/31/557820331.db2.gz	LUQXEEPEXAKVCY-OAQYLSRUSA-N	-1	3	419.864	5.132	50	30		HKEAHM
COc1ccccc1[C@H]1C(=C([O-])c2ccccc2)C(=O)C(=O)N1c1cccc(Cl)c1	ZINC000009044723	557820320	/nfs/dbraw/zinc/82/03/20/557820320.db2.gz	LUQXEEPEXAKVCY-NRFANRHFSA-N	-1	3	419.864	5.132	50	30		HKEAHM
Cc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccccc2Cl)c1	ZINC000009088986	571220045	/nfs/dbraw/zinc/22/00/45/571220045.db2.gz	YNNPHOJZADCRAO-OAQYLSRUSA-N	-1	3	403.865	5.431	50	30		HKEAHM
Cc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2Cl)c1	ZINC000009088986	571220048	/nfs/dbraw/zinc/22/00/48/571220048.db2.gz	YNNPHOJZADCRAO-OAQYLSRUSA-N	-1	3	403.865	5.431	50	30		HKEAHM
Cc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccccc2Cl)c1	ZINC000009088987	571219999	/nfs/dbraw/zinc/21/99/99/571219999.db2.gz	YNNPHOJZADCRAO-NRFANRHFSA-N	-1	3	403.865	5.431	50	30		HKEAHM
Cc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2Cl)c1	ZINC000009088987	571220000	/nfs/dbraw/zinc/22/00/00/571220000.db2.gz	YNNPHOJZADCRAO-NRFANRHFSA-N	-1	3	403.865	5.431	50	30		HKEAHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000009089461	571220224	/nfs/dbraw/zinc/22/02/24/571220224.db2.gz	JYDZQZHRGYRQGT-OAQYLSRUSA-N	-1	3	403.865	5.431	50	30		HKEAHM
Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000009089461	571220225	/nfs/dbraw/zinc/22/02/25/571220225.db2.gz	JYDZQZHRGYRQGT-OAQYLSRUSA-N	-1	3	403.865	5.431	50	30		HKEAHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000009089462	571220341	/nfs/dbraw/zinc/22/03/41/571220341.db2.gz	JYDZQZHRGYRQGT-NRFANRHFSA-N	-1	3	403.865	5.431	50	30		HKEAHM
Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000009089462	571220344	/nfs/dbraw/zinc/22/03/44/571220344.db2.gz	JYDZQZHRGYRQGT-NRFANRHFSA-N	-1	3	403.865	5.431	50	30		HKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccccc2)cc1	ZINC000009109112	557823909	/nfs/dbraw/zinc/82/39/09/557823909.db2.gz	ODIXQCJTTBNLKR-OAQYLSRUSA-N	-1	3	419.864	5.132	50	30		HKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2ccccc2)cc1	ZINC000009109113	557823992	/nfs/dbraw/zinc/82/39/92/557823992.db2.gz	ODIXQCJTTBNLKR-NRFANRHFSA-N	-1	3	419.864	5.132	50	30		HKEAHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@H]2c2ccc(F)cc2)cc1	ZINC000009135532	571229834	/nfs/dbraw/zinc/22/98/34/571229834.db2.gz	LGGLBJQXWAPTNH-LEZKGFNYSA-N	-1	3	413.448	5.317	50	30		HKEAHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000009135533	571229857	/nfs/dbraw/zinc/22/98/57/571229857.db2.gz	LGGLBJQXWAPTNH-RVQCLCKVSA-N	-1	3	413.448	5.317	50	30		HKEAHM
O=C1c2ccccc2C2=NC3=C(C(=O)CCC3)[C@H](c3cc(Br)ccc3[O-])C12	ZINC000009144936	571230284	/nfs/dbraw/zinc/23/02/84/571230284.db2.gz	QDSNONQSXZUXAS-SFHVURJKSA-N	-1	3	422.278	5.031	50	30		HKEAHM
Cc1cccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@H]2c2ccc(F)cc2)c1	ZINC000009174850	571234321	/nfs/dbraw/zinc/23/43/21/571234321.db2.gz	CWXAJJDYCARQKU-BFEXVFPXSA-N	-1	3	413.448	5.317	50	30		HKEAHM
Cc1cccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@@H]2c2ccc(F)cc2)c1	ZINC000009174865	571234281	/nfs/dbraw/zinc/23/42/81/571234281.db2.gz	CWXAJJDYCARQKU-XKVZMTQCSA-N	-1	3	413.448	5.317	50	30		HKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(Cl)cc2)cc1	ZINC000009177570	571234355	/nfs/dbraw/zinc/23/43/55/571234355.db2.gz	JSPCXERLNQUOND-OAQYLSRUSA-N	-1	3	419.864	5.132	50	30		HKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(Cl)cc2)cc1	ZINC000009177576	571234301	/nfs/dbraw/zinc/23/43/01/571234301.db2.gz	JSPCXERLNQUOND-NRFANRHFSA-N	-1	3	419.864	5.132	50	30		HKEAHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@@H]2c2ccccc2F)cc1	ZINC000009234205	571239971	/nfs/dbraw/zinc/23/99/71/571239971.db2.gz	VKCACPDTHBCPBG-OPAHAADXSA-N	-1	3	413.448	5.317	50	30		HKEAHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccccc2F)cc1Cl	ZINC000009329516	571248446	/nfs/dbraw/zinc/24/84/46/571248446.db2.gz	GCQYWXBPDCIERQ-OAQYLSRUSA-N	-1	3	421.855	5.570	50	30		HKEAHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccccc2F)cc1Cl	ZINC000009329517	571248402	/nfs/dbraw/zinc/24/84/02/571248402.db2.gz	GCQYWXBPDCIERQ-NRFANRHFSA-N	-1	3	421.855	5.570	50	30		HKEAHM
O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1cccc2ccccc21	ZINC000009331872	557837446	/nfs/dbraw/zinc/83/74/46/557837446.db2.gz	WQUKEDSYJYVLQR-QFIPXVFZSA-N	-1	3	407.473	5.296	50	30		HKEAHM
O=c1c2c([n-]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1cccc2ccccc21	ZINC000009331874	557837439	/nfs/dbraw/zinc/83/74/39/557837439.db2.gz	WQUKEDSYJYVLQR-JOCHJYFZSA-N	-1	3	407.473	5.296	50	30		HKEAHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1	ZINC000009379949	571253750	/nfs/dbraw/zinc/25/37/50/571253750.db2.gz	LTZUAHOVGZYDKS-OAQYLSRUSA-N	-1	3	421.855	5.570	50	30		HKEAHM
COc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1	ZINC000009380297	571253726	/nfs/dbraw/zinc/25/37/26/571253726.db2.gz	OHKKZBWEDDIXQW-NRFANRHFSA-N	-1	3	419.864	5.132	50	30		HKEAHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1	ZINC000009380493	571253648	/nfs/dbraw/zinc/25/36/48/571253648.db2.gz	LTZUAHOVGZYDKS-NRFANRHFSA-N	-1	3	421.855	5.570	50	30		HKEAHM
COc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1	ZINC000009380618	571253692	/nfs/dbraw/zinc/25/36/92/571253692.db2.gz	OHKKZBWEDDIXQW-OAQYLSRUSA-N	-1	3	419.864	5.132	50	30		HKEAHM
O=C1c2ccc([O-])c(CN3CCCCCC3)c2O/C1=C\c1c(F)cccc1Cl	ZINC000009484833	571262252	/nfs/dbraw/zinc/26/22/52/571262252.db2.gz	XGFCVJGPZUSIRA-NDENLUEZSA-N	-1	3	401.865	5.177	50	30		HKEAHM
Cc1cccc(C)c1OCC(=O)[N-]c1oc(-c2ccco2)c(-c2ccco2)c1C#N	ZINC000009530517	571266789	/nfs/dbraw/zinc/26/67/89/571266789.db2.gz	OCVMZHGQDGEVMD-UHFFFAOYSA-N	-1	3	402.406	5.306	50	30		HKEAHM
N#Cc1c([N-]C(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)sc2c1CCCC2	ZINC000009597890	569393679	/nfs/dbraw/zinc/39/36/79/569393679.db2.gz	WPZGIPARXAOAQX-UHFFFAOYSA-N	-1	3	418.305	5.713	50	30		HKEAHM
N#Cc1ccsc1[N-]C(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1	ZINC000009613336	571273891	/nfs/dbraw/zinc/27/38/91/571273891.db2.gz	HZROZQVLTXFPDI-UHFFFAOYSA-N	-1	3	424.934	6.564	50	30		HKEAHM
COc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000009779685	571285156	/nfs/dbraw/zinc/28/51/56/571285156.db2.gz	VQLLPGBRBYXYAN-OAQYLSRUSA-N	-1	3	419.864	5.132	50	30		HKEAHM
COc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000009779688	571285170	/nfs/dbraw/zinc/28/51/70/571285170.db2.gz	VQLLPGBRBYXYAN-NRFANRHFSA-N	-1	3	419.864	5.132	50	30		HKEAHM
COc1ccccc1[C@@H]1C(=C([O-])c2ccc(Cl)cc2)C(=O)C(=O)N1c1ccccc1	ZINC000009779693	571285135	/nfs/dbraw/zinc/28/51/35/571285135.db2.gz	IZJTUKNJEUIMFZ-OAQYLSRUSA-N	-1	3	419.864	5.132	50	30		HKEAHM
COc1ccccc1[C@H]1C(=C([O-])c2ccc(Cl)cc2)C(=O)C(=O)N1c1ccccc1	ZINC000009779697	571285165	/nfs/dbraw/zinc/28/51/65/571285165.db2.gz	IZJTUKNJEUIMFZ-NRFANRHFSA-N	-1	3	419.864	5.132	50	30		HKEAHM
COc1cc(Br)cc(/C=N/c2ccc(-c3cn4ccccc4n3)cc2)c1[O-]	ZINC000009934843	571290939	/nfs/dbraw/zinc/29/09/39/571290939.db2.gz	QKIXCLDKQMCULU-FSJBWODESA-N	-1	3	422.282	5.229	50	30		HKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-][nH]c(=O)c1[C@@H]2c1cccc(Oc2ccccc2)c1	ZINC000012347623	568494007	/nfs/dbraw/zinc/49/40/07/568494007.db2.gz	FDROMAPYQDLZEF-LJQANCHMSA-N	-1	3	401.466	5.108	50	30		HKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[nH][n-]c(=O)c1[C@@H]2c1cccc(Oc2ccccc2)c1	ZINC000012347623	568494008	/nfs/dbraw/zinc/49/40/08/568494008.db2.gz	FDROMAPYQDLZEF-LJQANCHMSA-N	-1	3	401.466	5.108	50	30		HKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-][nH]c(=O)c1[C@H]2c1cccc(Oc2ccccc2)c1	ZINC000012347630	568494056	/nfs/dbraw/zinc/49/40/56/568494056.db2.gz	FDROMAPYQDLZEF-IBGZPJMESA-N	-1	3	401.466	5.108	50	30		HKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[nH][n-]c(=O)c1[C@H]2c1cccc(Oc2ccccc2)c1	ZINC000012347630	568494057	/nfs/dbraw/zinc/49/40/57/568494057.db2.gz	FDROMAPYQDLZEF-IBGZPJMESA-N	-1	3	401.466	5.108	50	30		HKEAHM
[O-]c1ccc2ccccc2c1/C=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1	ZINC000012360342	558386850	/nfs/dbraw/zinc/38/68/50/558386850.db2.gz	JHSXJPYGYWOSBK-CEUNXORHSA-N	-1	3	419.528	5.267	50	30		HKEAHM
C=CCOc1ccc(-c2nonc2[N-]C(=O)c2sc3ccccc3c2Cl)cc1	ZINC000012391079	568695647	/nfs/dbraw/zinc/69/56/47/568695647.db2.gz	IVJNBEQASVACKV-UHFFFAOYSA-N	-1	3	411.870	5.422	50	30		HKEAHM
Cn1c(C(C#N)=C([O-])c2cc(-c3ccccc3)nc3ccccc32)nc2ccccc21	ZINC000012603784	568870700	/nfs/dbraw/zinc/87/07/00/568870700.db2.gz	QIBPSWNISXNPIB-HXUWFJFHSA-N	-1	3	402.457	5.279	50	30		HKEAHM
CCOC(=O)C(Sc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N)=C(C)[O-]	ZINC000013122141	569409432	/nfs/dbraw/zinc/40/94/32/569409432.db2.gz	ZCMPNKMTFTUUSX-CJLVFECKSA-N	-1	3	416.502	5.732	50	30		HKEAHM
Cc1c(Cc2ccccc2)sc(/N=C/c2c([O-])ccc3ccccc32)c1C(N)=O	ZINC000013126175	558518544	/nfs/dbraw/zinc/51/85/44/558518544.db2.gz	KMOCCUDACMAAFO-VULFUBBASA-N	-1	3	400.503	5.356	50	30		HKEAHM
C=CCSc1nnc([N-]C(=O)c2oc3ccccc3c2COc2ccccc2)s1	ZINC000013147776	569410047	/nfs/dbraw/zinc/41/00/47/569410047.db2.gz	MHGQVCJWAACLJQ-UHFFFAOYSA-N	-1	3	423.519	5.394	50	30		HKEAHM
[O-]c1c(CN=Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)ccc2ccccc21	ZINC000013550161	558843186	/nfs/dbraw/zinc/84/31/86/558843186.db2.gz	FNQCORXBCKAEMB-JFLMPSFJSA-N	-1	3	424.891	6.255	50	30		HKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc4ccccc4c3)[C@@H]2c2ccc(C)cc2)no1	ZINC000013570832	558844667	/nfs/dbraw/zinc/84/46/67/558844667.db2.gz	SYPCGUBSYTYLEC-QHCPKHFHSA-N	-1	3	424.456	5.228	50	30		HKEAHM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccc(C)cc2)no1	ZINC000013570832	558844668	/nfs/dbraw/zinc/84/46/68/558844668.db2.gz	SYPCGUBSYTYLEC-QHCPKHFHSA-N	-1	3	424.456	5.228	50	30		HKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc4ccccc4c3)[C@H]2c2ccc(C)cc2)no1	ZINC000013570833	558844676	/nfs/dbraw/zinc/84/46/76/558844676.db2.gz	SYPCGUBSYTYLEC-HSZRJFAPSA-N	-1	3	424.456	5.228	50	30		HKEAHM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccc(C)cc2)no1	ZINC000013570833	558844677	/nfs/dbraw/zinc/84/46/77/558844677.db2.gz	SYPCGUBSYTYLEC-HSZRJFAPSA-N	-1	3	424.456	5.228	50	30		HKEAHM
O=C1C(=NN=c2[n-]c(-c3ccccc3)cs2)C(c2ccccc2)=NN1c1ccccc1	ZINC000013574634	571307997	/nfs/dbraw/zinc/30/79/97/571307997.db2.gz	WQADAEJRFNYVKN-ROMGYVFFSA-N	-1	3	423.501	5.029	50	30		HKEAHM
O=C1[N-]/C(=N\c2ccc(Br)cc2)S[C@@H]1Cc1cccc2ccccc21	ZINC000013590108	558846256	/nfs/dbraw/zinc/84/62/56/558846256.db2.gz	KGTZPGQQVINWBU-GOSISDBHSA-N	-1	3	411.324	5.064	50	30		HKEAHM
O=C1[N-]/C(=N\c2ccc(Br)cc2)S[C@H]1Cc1cccc2ccccc21	ZINC000013590109	558846302	/nfs/dbraw/zinc/84/63/02/558846302.db2.gz	KGTZPGQQVINWBU-SFHVURJKSA-N	-1	3	411.324	5.064	50	30		HKEAHM
N#Cc1c([N-]C(=O)COc2ccc(Cl)cc2)oc(-c2ccco2)c1-c1ccco1	ZINC000013625288	558848231	/nfs/dbraw/zinc/84/82/31/558848231.db2.gz	FPPBQQCWEDOEBS-UHFFFAOYSA-N	-1	3	408.797	5.342	50	30		HKEAHM
CCCCN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2	ZINC000013682070	558567217	/nfs/dbraw/zinc/56/72/17/558567217.db2.gz	DXPPAEMYKRCBQW-GRSHGNNSSA-N	-1	3	406.309	5.547	50	30		HKEAHM
Cc1cc([O-])c(CN2CCC(C)CC2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2	ZINC000013690996	558855750	/nfs/dbraw/zinc/85/57/50/558855750.db2.gz	JRIJSYBCMCCOMD-XKZIYDEJSA-N	-1	3	403.478	5.295	50	30		HKEAHM
[O-]c1ccc2ccccc2c1CN=Nc1nc(-c2ccc(Cl)cc2Cl)cs1	ZINC000013714001	558577800	/nfs/dbraw/zinc/57/78/00/558577800.db2.gz	MEVQYEXLTMCTDE-AUEPDCJTSA-N	-1	3	414.317	6.422	50	30		HKEAHM
[O-]c1ccc2oc3c(c2c1/C=N/c1ccc(I)cc1)CCCC3	ZINC000013774853	558592254	/nfs/dbraw/zinc/59/22/54/558592254.db2.gz	APFMUROVOQOQMI-SRZZPIQSSA-N	-1	3	417.246	5.372	50	30		HKEAHM
Cc1cccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@@H]2c2ccccc2F)c1	ZINC000013816458	558596239	/nfs/dbraw/zinc/59/62/39/558596239.db2.gz	DGYXIHPEHVTVJI-DEANLKEKSA-N	-1	3	413.448	5.317	50	30		HKEAHM
Cc1cccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@H]2c2ccccc2F)c1	ZINC000013816462	558596184	/nfs/dbraw/zinc/59/61/84/558596184.db2.gz	DGYXIHPEHVTVJI-RSOBRIFHSA-N	-1	3	413.448	5.317	50	30		HKEAHM
Cc1ccccc1-c1nc2cc(/N=C/c3cc(Cc4ccccc4)ccc3[O-])ccc2o1	ZINC000013897295	558600577	/nfs/dbraw/zinc/60/05/77/558600577.db2.gz	KPSCVVDKJLGBDL-RDRPBHBLSA-N	-1	3	418.496	6.850	50	30		HKEAHM
[O-]c1ccc(Br)cc1/C=N/c1cc(-c2ccccc2)nn1-c1ccccc1	ZINC000013899529	558601167	/nfs/dbraw/zinc/60/11/67/558601167.db2.gz	YAWIWBYUJQNREP-BUVRLJJBSA-N	-1	3	418.294	5.758	50	30		HKEAHM
COc1ccc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2ccc(C)cc2)cc1	ZINC000013961510	558609347	/nfs/dbraw/zinc/60/93/47/558609347.db2.gz	YQIGNAXFSAHJMO-QHCPKHFHSA-N	-1	3	413.473	5.095	50	30		HKEAHM
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccc(C)cc2)cc1	ZINC000013961510	558609350	/nfs/dbraw/zinc/60/93/50/558609350.db2.gz	YQIGNAXFSAHJMO-QHCPKHFHSA-N	-1	3	413.473	5.095	50	30		HKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2ccc(C)cc2)cc1	ZINC000013961511	558609277	/nfs/dbraw/zinc/60/92/77/558609277.db2.gz	YQIGNAXFSAHJMO-HSZRJFAPSA-N	-1	3	413.473	5.095	50	30		HKEAHM
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccc(C)cc2)cc1	ZINC000013961511	558609280	/nfs/dbraw/zinc/60/92/80/558609280.db2.gz	YQIGNAXFSAHJMO-HSZRJFAPSA-N	-1	3	413.473	5.095	50	30		HKEAHM
O=C(/C=C/c1ccccc1[O-])c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1	ZINC000013987299	559130418	/nfs/dbraw/zinc/13/04/18/559130418.db2.gz	PFBPUGVRIWRSNC-JLHYYAGUSA-N	-1	3	401.849	5.450	50	30		HKEAHM
C=CCOc1ccc([C@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2[O-])cc1	ZINC000015015847	569004348	/nfs/dbraw/zinc/00/43/48/569004348.db2.gz	HPTLRUKQQUWNQV-DEOSSOPVSA-N	-1	3	411.505	5.719	50	30		HKEAHM
C=CCOc1ccc([C@@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2[O-])cc1	ZINC000015015848	569004377	/nfs/dbraw/zinc/00/43/77/569004377.db2.gz	HPTLRUKQQUWNQV-XMMPIXPASA-N	-1	3	411.505	5.719	50	30		HKEAHM
Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C/c2cc([O-])ccc2Br)S1	ZINC000015016111	558701877	/nfs/dbraw/zinc/70/18/77/558701877.db2.gz	VXWRWBCRMOLSGA-NVNXTCNLSA-N	-1	3	423.719	5.008	50	30		HKEAHM
C=CCOc1cccc([C@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000015016687	569004361	/nfs/dbraw/zinc/00/43/61/569004361.db2.gz	FJGCIPBPZJRWFH-DEOSSOPVSA-N	-1	3	411.505	5.719	50	30		HKEAHM
C=CCOc1cccc([C@@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000015016688	569004594	/nfs/dbraw/zinc/00/45/94/569004594.db2.gz	FJGCIPBPZJRWFH-XMMPIXPASA-N	-1	3	411.505	5.719	50	30		HKEAHM
[O-]c1ccccc1/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1	ZINC000015228789	558728941	/nfs/dbraw/zinc/72/89/41/558728941.db2.gz	ZSPQKNAKQHRSQE-KEBDBYFISA-N	-1	3	408.704	6.303	50	30		HKEAHM
COc1cc(/C=N/[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl	ZINC000016195581	558778048	/nfs/dbraw/zinc/77/80/48/558778048.db2.gz	HRGOSLYHWDMWSR-FBCYGCLPSA-N	-1	3	405.075	5.152	50	30		HKEAHM
Cc1ccc(/N=C2\NC(=O)/C(=C/c3cc([O-])ccc3Br)S2)cc1Cl	ZINC000016267745	558782491	/nfs/dbraw/zinc/78/24/91/558782491.db2.gz	TVMZAXJJPYGBPL-CHHVJCJISA-N	-1	3	423.719	5.008	50	30		HKEAHM
O=C1CCCC2=C1[C@@H](c1cc(Br)ccc1[O-])c1c(ccc3ccccc31)N2	ZINC000016393857	559077245	/nfs/dbraw/zinc/07/72/45/559077245.db2.gz	BPHCDKWGLMCFMN-QFIPXVFZSA-N	-1	3	420.306	5.872	50	30		HKEAHM
O=C1CCCC2=C1[C@H](c1cc(Br)ccc1[O-])c1c(ccc3ccccc31)N2	ZINC000016393860	526967919	/nfs/dbraw/zinc/96/79/19/526967919.db2.gz	BPHCDKWGLMCFMN-JOCHJYFZSA-N	-1	3	420.306	5.872	50	30		HKEAHM
N#Cc1c([N-]C(=O)c2ccccc2[N+](=O)[O-])scc1-c1ccc(Cl)c(Cl)c1	ZINC000016400327	569041131	/nfs/dbraw/zinc/04/11/31/569041131.db2.gz	RVLRAWKJBWDMEW-UHFFFAOYSA-N	-1	3	418.261	5.754	50	30		HKEAHM
[O-]c1ccc(Cl)cc1CN=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1	ZINC000016511714	558795038	/nfs/dbraw/zinc/79/50/38/558795038.db2.gz	KZJASSYBCCMNCT-MFKUBSTISA-N	-1	3	400.869	5.616	50	30		HKEAHM
COc1cc(C=NNc2c(Cl)cc(Cl)cc2Cl)cc(Br)c1[O-]	ZINC000016671937	558798649	/nfs/dbraw/zinc/79/86/49/558798649.db2.gz	NOFWFOSFABUOAK-KPSZGOFPSA-N	-1	3	424.509	5.570	50	30		HKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000016971289	558810771	/nfs/dbraw/zinc/81/07/71/558810771.db2.gz	YPKNPEQUCGNMFS-OAQYLSRUSA-N	-1	3	403.865	5.431	50	30		HKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000016971289	558810773	/nfs/dbraw/zinc/81/07/73/558810773.db2.gz	YPKNPEQUCGNMFS-OAQYLSRUSA-N	-1	3	403.865	5.431	50	30		HKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000016971292	558810833	/nfs/dbraw/zinc/81/08/33/558810833.db2.gz	YPKNPEQUCGNMFS-NRFANRHFSA-N	-1	3	403.865	5.431	50	30		HKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000016971292	558810836	/nfs/dbraw/zinc/81/08/36/558810836.db2.gz	YPKNPEQUCGNMFS-NRFANRHFSA-N	-1	3	403.865	5.431	50	30		HKEAHM
CCOC(=O)c1c(/N=C/c2cc(Br)ccc2[O-])sc2c1CCCC2	ZINC000017023302	558812015	/nfs/dbraw/zinc/81/20/15/558812015.db2.gz	BGZUNEWFFZHVSO-KEBDBYFISA-N	-1	3	408.317	5.022	50	30		HKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2F)cc1	ZINC000017147483	558824110	/nfs/dbraw/zinc/82/41/10/558824110.db2.gz	HKEPEDSZMBDHAW-OAQYLSRUSA-N	-1	3	405.400	5.056	50	30		HKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2F)cc1	ZINC000017147485	558824224	/nfs/dbraw/zinc/82/42/24/558824224.db2.gz	HKEPEDSZMBDHAW-NRFANRHFSA-N	-1	3	405.400	5.056	50	30		HKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000017180409	558825109	/nfs/dbraw/zinc/82/51/09/558825109.db2.gz	ZDDUSZNQPUTZQP-FQEVSTJZSA-N	-1	3	418.518	5.358	50	30		HKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000017180409	558825112	/nfs/dbraw/zinc/82/51/12/558825112.db2.gz	ZDDUSZNQPUTZQP-FQEVSTJZSA-N	-1	3	418.518	5.358	50	30		HKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000017180411	558825121	/nfs/dbraw/zinc/82/51/21/558825121.db2.gz	ZDDUSZNQPUTZQP-HXUWFJFHSA-N	-1	3	418.518	5.358	50	30		HKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000017180411	558825123	/nfs/dbraw/zinc/82/51/23/558825123.db2.gz	ZDDUSZNQPUTZQP-HXUWFJFHSA-N	-1	3	418.518	5.358	50	30		HKEAHM
COc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)cc1	ZINC000017995575	560733678	/nfs/dbraw/zinc/73/36/78/560733678.db2.gz	LCYKYGDHMKJNHS-OAQYLSRUSA-N	-1	3	419.864	5.132	50	30		HKEAHM
O=C1c2ccccc2C2=NC3=C(C(=O)CCC3)[C@@H](c3cc(Br)ccc3[O-])C12	ZINC000018113360	560776163	/nfs/dbraw/zinc/77/61/63/560776163.db2.gz	QDSNONQSXZUXAS-GOSISDBHSA-N	-1	3	422.278	5.031	50	30		HKEAHM
CCC(C)(C)[C@H]1CCc2sc3ncnc([N-]N=C4c5ccccc5NC4=O)c3c2C1	ZINC000018136621	558831767	/nfs/dbraw/zinc/83/17/67/558831767.db2.gz	FWYYPEBWJNUCQT-ZDUSSCGKSA-N	-1	3	419.554	5.001	50	30		HKEAHM
COc1cccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)c1	ZINC000018192174	560782023	/nfs/dbraw/zinc/78/20/23/560782023.db2.gz	TVCGEWCZJMRSLF-OAQYLSRUSA-N	-1	3	419.864	5.132	50	30		HKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@@H]2c1cccc(Cl)c1	ZINC000018195396	560782345	/nfs/dbraw/zinc/78/23/45/560782345.db2.gz	YHSVWBSCXKNLFJ-LJQANCHMSA-N	-1	3	419.912	5.020	50	30		HKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@H]2c1cccc(Cl)c1	ZINC000018195397	560782327	/nfs/dbraw/zinc/78/23/27/560782327.db2.gz	YHSVWBSCXKNLFJ-IBGZPJMESA-N	-1	3	419.912	5.020	50	30		HKEAHM
CC(C)c1ccc([C@@H]2c3c(=O)[nH][n-]c3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1	ZINC000018196492	560782590	/nfs/dbraw/zinc/78/25/90/560782590.db2.gz	BJKFKNHWUCQUPE-KXBFYZLASA-N	-1	3	405.523	5.258	50	30		HKEAHM
O=C1C(=O)N(c2ccccc2)[C@H](c2ccc(Cl)cc2)C1=C([O-])C=Cc1ccccc1	ZINC000018282835	558835382	/nfs/dbraw/zinc/83/53/82/558835382.db2.gz	POTJOUWUAUYROC-UUFSLDAJSA-N	-1	3	415.876	5.523	50	30		HKEAHM
O=C1C(=O)N(c2ccccc2)[C@@H](c2ccc(Cl)cc2)C1=C([O-])C=Cc1ccccc1	ZINC000018284787	558835428	/nfs/dbraw/zinc/83/54/28/558835428.db2.gz	POTJOUWUAUYROC-LJJIPZOBSA-N	-1	3	415.876	5.523	50	30		HKEAHM
[O-]c1ccc2ccccc2c1/C=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000019805794	558285848	/nfs/dbraw/zinc/28/58/48/558285848.db2.gz	ZABLZJLPMUPVTG-XHLNEMQHSA-N	-1	3	421.544	5.287	50	30		HKEAHM
CCOc1cc(-c2cc(-c3ccc(Cl)cc3Cl)nc(N)c2C#N)ccc1[O-]	ZINC000019832542	569430882	/nfs/dbraw/zinc/43/08/82/569430882.db2.gz	HRLXRVHPTIANBF-UHFFFAOYSA-N	-1	3	400.265	5.281	50	30		HKEAHM
[O-]c1ccc2ccccc2c1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1	ZINC000019861272	558298136	/nfs/dbraw/zinc/29/81/36/558298136.db2.gz	JHSXJPYGYWOSBK-VUTHCHCSSA-N	-1	3	419.528	5.267	50	30		HKEAHM
Cc1ccc2occ(/C=C/C(=O)c3cc(C(C)(C)C)c([O-])c(C(C)(C)C)c3)c(=O)c2c1	ZINC000020034429	568586492	/nfs/dbraw/zinc/58/64/92/568586492.db2.gz	SBEFTJPBLSOQBB-MDZDMXLPSA-N	-1	3	418.533	6.298	50	30		HKEAHM
C[C@@H]1CCCCN1Cc1c2c(ccc1[O-])C(=O)/C(=C/C1=Cc3ccccc3O[C@@H]1C)O2	ZINC000020612016	524113984	/nfs/dbraw/zinc/11/39/84/524113984.db2.gz	VLNUFZKTWCXVTO-HGQBTHLCSA-N	-1	3	417.505	5.090	50	30	biogenic	HKEAHM
C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2c(ccc([O-])c2CN2CCCC[C@@H]2C)C1=O	ZINC000020612018	525063873	/nfs/dbraw/zinc/06/38/73/525063873.db2.gz	VLNUFZKTWCXVTO-GZSFAVFVSA-N	-1	3	417.505	5.090	50	30	biogenic	HKEAHM
C[C@@H]1CCCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2c(F)cccc2Cl)O3)C1	ZINC000020624602	524229160	/nfs/dbraw/zinc/22/91/60/524229160.db2.gz	KPCIPRRONPCYRX-CFFVULROSA-N	-1	3	401.865	5.033	50	30		HKEAHM
C[C@H]1CCCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2c(F)cccc2Cl)O3)C1	ZINC000020624605	524093739	/nfs/dbraw/zinc/09/37/39/524093739.db2.gz	KPCIPRRONPCYRX-NLLJVSSUSA-N	-1	3	401.865	5.033	50	30		HKEAHM
CCn1cc(/C=C2/Oc3c(ccc([O-])c3CN3CCC[C@@H](C)C3)C2=O)c2ccccc21	ZINC000020647028	523304235	/nfs/dbraw/zinc/30/42/35/523304235.db2.gz	RGVCCDYOTZZXDO-ZRWQFTNJSA-N	-1	3	416.521	5.215	50	30		HKEAHM
CCn1cc(/C=C2/Oc3c(ccc([O-])c3CN3CCC[C@H](C)C3)C2=O)c2ccccc21	ZINC000020647031	523304994	/nfs/dbraw/zinc/30/49/94/523304994.db2.gz	RGVCCDYOTZZXDO-PDERCVKFSA-N	-1	3	416.521	5.215	50	30		HKEAHM
CCn1cc(/C=C2/Oc3c(ccc([O-])c3CN3CCCC[C@@H]3C)C2=O)c2ccccc21	ZINC000020647041	558397238	/nfs/dbraw/zinc/39/72/38/558397238.db2.gz	YTEIWYKHMFUXPU-ZZQPOVDQSA-N	-1	3	416.521	5.357	50	30		HKEAHM
CCn1cc(/C=C2/Oc3c(ccc([O-])c3CN3CCCC[C@H]3C)C2=O)c2ccccc21	ZINC000020647044	523305680	/nfs/dbraw/zinc/30/56/80/523305680.db2.gz	YTEIWYKHMFUXPU-PTZPRWATSA-N	-1	3	416.521	5.357	50	30		HKEAHM
C[C@@H]1CCCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccc(Cl)cc2Cl)O3)C1	ZINC000020647299	524230395	/nfs/dbraw/zinc/23/03/95/524230395.db2.gz	JBLNNWJGMYMLNV-HHGUGQKFSA-N	-1	3	418.320	5.547	50	30		HKEAHM
C[C@H]1CCCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccc(Cl)cc2Cl)O3)C1	ZINC000020647302	524092363	/nfs/dbraw/zinc/09/23/63/524092363.db2.gz	JBLNNWJGMYMLNV-CCSWUNFSSA-N	-1	3	418.320	5.547	50	30		HKEAHM
Cc1cc([O-])c(CN2CCC[C@@H](C)C2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2	ZINC000020647517	525315643	/nfs/dbraw/zinc/31/56/43/525315643.db2.gz	YZTVZZSCIQVRIO-SRMCNWIXSA-N	-1	3	403.478	5.295	50	30		HKEAHM
Cc1cc([O-])c(CN2CCC[C@H](C)C2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2	ZINC000020647520	525315825	/nfs/dbraw/zinc/31/58/25/525315825.db2.gz	YZTVZZSCIQVRIO-QZDMBBGESA-N	-1	3	403.478	5.295	50	30		HKEAHM
C[C@@H]1CCCCN1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2	ZINC000020647839	524114810	/nfs/dbraw/zinc/11/48/10/524114810.db2.gz	VTTCOHYECGZDRL-CFFVULROSA-N	-1	3	418.320	5.690	50	30		HKEAHM
C[C@H]1CCCCN1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2	ZINC000020647842	526251209	/nfs/dbraw/zinc/25/12/09/526251209.db2.gz	VTTCOHYECGZDRL-NLLJVSSUSA-N	-1	3	418.320	5.690	50	30		HKEAHM
Cc1cc([O-])c(CN2CCCC[C@H]2C)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2	ZINC000020648049	525316157	/nfs/dbraw/zinc/31/61/57/525316157.db2.gz	VOWIXBRNOIXGEC-NXUSMQHESA-N	-1	3	403.478	5.437	50	30		HKEAHM
Cc1cc([O-])c(CN2CCCC[C@@H]2C)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2	ZINC000020648052	525316439	/nfs/dbraw/zinc/31/64/39/525316439.db2.gz	VOWIXBRNOIXGEC-GLFIFPSUSA-N	-1	3	403.478	5.437	50	30		HKEAHM
CCn1cc(/C=C2/Oc3c(ccc([O-])c3CN3CCC(C)CC3)C2=O)c2ccccc21	ZINC000020649042	558397446	/nfs/dbraw/zinc/39/74/46/558397446.db2.gz	RVUQFKZGAIBBJW-ZVHZXABRSA-N	-1	3	416.521	5.215	50	30		HKEAHM
Cc1cc([O-])c(CN2CCCCCC2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2	ZINC000020649719	525315461	/nfs/dbraw/zinc/31/54/61/525315461.db2.gz	WUGGTWAKCTYPQA-HMAPJEAMSA-N	-1	3	403.478	5.439	50	30		HKEAHM
CC1CCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccc(Cl)cc2Cl)O3)CC1	ZINC000020649986	521022762	/nfs/dbraw/zinc/02/27/62/521022762.db2.gz	KUXMXGDJSZHHGI-JMIUGGIZSA-N	-1	3	418.320	5.547	50	30		HKEAHM
CCCCN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C\c1cn(CC)c3ccccc13)O2	ZINC000020650068	520421996	/nfs/dbraw/zinc/42/19/96/520421996.db2.gz	ULSHRMKFWYKLSU-OEAKJJBVSA-N	-1	3	404.510	5.215	50	30		HKEAHM
CCCCN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2	ZINC000020650330	520417037	/nfs/dbraw/zinc/41/70/37/520417037.db2.gz	OQJUOPHOZYWALB-UQQQWYQISA-N	-1	3	413.517	5.907	50	30		HKEAHM
CC1CCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2c(F)cccc2Cl)O3)CC1	ZINC000020650799	521023413	/nfs/dbraw/zinc/02/34/13/521023413.db2.gz	SJGUYOMLZSYDDA-JAIQZWGSSA-N	-1	3	401.865	5.033	50	30		HKEAHM
C[C@@H]1CCCCN1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1c(F)cccc1Cl)O2	ZINC000020650830	524115477	/nfs/dbraw/zinc/11/54/77/524115477.db2.gz	OBEOHKSOILYDOM-RBFBNPFJSA-N	-1	3	401.865	5.175	50	30		HKEAHM
C[C@H]1CCCCN1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1c(F)cccc1Cl)O2	ZINC000020650833	526251863	/nfs/dbraw/zinc/25/18/63/526251863.db2.gz	OBEOHKSOILYDOM-GHOUAXAESA-N	-1	3	401.865	5.175	50	30		HKEAHM
CCn1cc(/C=C2/Oc3c(ccc([O-])c3CN3CCCCCC3)C2=O)c2ccccc21	ZINC000020663793	523305362	/nfs/dbraw/zinc/30/53/62/523305362.db2.gz	FPBPGGZZOOJIHH-BUVRLJJBSA-N	-1	3	416.521	5.359	50	30		HKEAHM
CCc1ccc(OCc2nc(C)c(C(=O)[N-]c3nnc(C(C)C)s3)s2)cc1	ZINC000021789210	524008281	/nfs/dbraw/zinc/00/82/81/524008281.db2.gz	RANCSPZEDGWUIR-UHFFFAOYSA-N	-1	3	402.545	5.204	50	30		HKEAHM
CCCc1nnc([N-]C(=O)c2sc(COc3ccc(CC)cc3)nc2C)s1	ZINC000021789215	521559704	/nfs/dbraw/zinc/55/97/04/521559704.db2.gz	HCPSXVFYRLJPTR-UHFFFAOYSA-N	-1	3	402.545	5.033	50	30		HKEAHM
Cc1nc(COc2ccc(C)c(C)c2)sc1C(=O)[N-]c1nnc(C(C)C)s1	ZINC000021789233	526905376	/nfs/dbraw/zinc/90/53/76/526905376.db2.gz	QSQNXEIOMDOSSX-UHFFFAOYSA-N	-1	3	402.545	5.259	50	30		HKEAHM
CCCc1nnc([N-]C(=O)c2sc(COc3ccc(C)c(C)c3)nc2C)s1	ZINC000021789237	521558124	/nfs/dbraw/zinc/55/81/24/521558124.db2.gz	SZBAZRIPEGFULW-UHFFFAOYSA-N	-1	3	402.545	5.088	50	30		HKEAHM
Cc1nc(COc2ccc(C)c(C)c2)sc1C(=O)[N-]c1nnc(C2CC2)s1	ZINC000021789240	526905339	/nfs/dbraw/zinc/90/53/39/526905339.db2.gz	QKPDRZGYOVHKHQ-UHFFFAOYSA-N	-1	3	400.529	5.013	50	30		HKEAHM
CCOc1cccc(/C=N/c2sc3c(c2C#N)CCN(Cc2ccccc2)C3)c1[O-]	ZINC000022612075	521317627	/nfs/dbraw/zinc/31/76/27/521317627.db2.gz	FYQQKZCNQPJUEF-VULFUBBASA-N	-1	3	417.534	5.033	50	30		HKEAHM
O=C(C(N=Nc1cc(C(F)(F)F)ccc1Cl)=C([O-])c1ccccc1)C(F)(F)F	ZINC000027026958	527593159	/nfs/dbraw/zinc/59/31/59/527593159.db2.gz	MNKUSBSIVOMHRM-LGJNPRDNSA-N	-1	3	422.712	5.141	50	30		HKEAHM
CCn1cc(/C=C2\Oc3c(ccc([O-])c3CN3CCC(C)CC3)C2=O)c2ccccc21	ZINC000028182773	523307792	/nfs/dbraw/zinc/30/77/92/523307792.db2.gz	RVUQFKZGAIBBJW-OYKKKHCWSA-N	-1	3	416.521	5.215	50	30		HKEAHM
CCn1cc(/C=C2\Oc3c(ccc([O-])c3CN3CCC[C@@H](C)C3)C2=O)c2ccccc21	ZINC000028182781	523306740	/nfs/dbraw/zinc/30/67/40/523306740.db2.gz	RGVCCDYOTZZXDO-ZKDCOOFMSA-N	-1	3	416.521	5.215	50	30		HKEAHM
CCn1cc(/C=C2\Oc3c(ccc([O-])c3CN3CCC[C@H](C)C3)C2=O)c2ccccc21	ZINC000028182783	523308203	/nfs/dbraw/zinc/30/82/03/523308203.db2.gz	RGVCCDYOTZZXDO-GHRPQRKGSA-N	-1	3	416.521	5.215	50	30		HKEAHM
CCn1cc(/C=C2\Oc3c(ccc([O-])c3CN3CCCC[C@@H]3C)C2=O)c2ccccc21	ZINC000028182832	568781793	/nfs/dbraw/zinc/78/17/93/568781793.db2.gz	YTEIWYKHMFUXPU-PDESAOGPSA-N	-1	3	416.521	5.357	50	30		HKEAHM
CCn1cc(/C=C2\Oc3c(ccc([O-])c3CN3CCCC[C@H]3C)C2=O)c2ccccc21	ZINC000028182834	523307909	/nfs/dbraw/zinc/30/79/09/523307909.db2.gz	YTEIWYKHMFUXPU-SNNLMFDCSA-N	-1	3	416.521	5.357	50	30		HKEAHM
CCCCN(C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cn(CC)c3ccccc13)O2	ZINC000028182845	520418521	/nfs/dbraw/zinc/41/85/21/520418521.db2.gz	ULSHRMKFWYKLSU-UCQKPKSFSA-N	-1	3	404.510	5.215	50	30		HKEAHM
CCn1cc(/C=C2\Oc3c(ccc([O-])c3CN3CCCCCC3)C2=O)c2ccccc21	ZINC000028182857	523308439	/nfs/dbraw/zinc/30/84/39/523308439.db2.gz	FPBPGGZZOOJIHH-IWIPYMOSSA-N	-1	3	416.521	5.359	50	30		HKEAHM
Cc1nc(Cc2ccc(F)cc2)sc1C(=O)[N-]c1nnc(-c2ccccc2)s1	ZINC000030561556	526927403	/nfs/dbraw/zinc/92/74/03/526927403.db2.gz	ZHVMDUFDJVIEIZ-UHFFFAOYSA-N	-1	3	410.499	5.336	50	30		HKEAHM
O=C1/C(=C\c2cc(Cl)ccc2[O-])S/C(=N/c2ccccc2)N1Cc1ccco1	ZINC000030750544	526944782	/nfs/dbraw/zinc/94/47/82/526944782.db2.gz	BHLOZQXHTYDGEW-JUAGQRJUSA-N	-1	3	410.882	5.443	50	30		HKEAHM
O=C1C(=O)N(c2ccccc2)[C@H](c2ccc(Cl)cc2)C1=C([O-])C=Cc1ccccc1	ZINC000033417153	527658343	/nfs/dbraw/zinc/65/83/43/527658343.db2.gz	POTJOUWUAUYROC-OBIZFTICSA-N	-1	3	415.876	5.523	50	30		HKEAHM
O=C1C(=O)N(c2ccccc2)[C@@H](c2ccc(Cl)cc2)C1=C([O-])C=Cc1ccccc1	ZINC000033417155	527657669	/nfs/dbraw/zinc/65/76/69/527657669.db2.gz	POTJOUWUAUYROC-NYURDRINSA-N	-1	3	415.876	5.523	50	30		HKEAHM
COc1cc(/C=C\C(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1[O-]	ZINC000033659774	521985570	/nfs/dbraw/zinc/98/55/70/521985570.db2.gz	RCJGRGBNECZUTP-WAYWQWQTSA-N	-1	3	401.178	5.078	50	30		HKEAHM
CCCCCCCCCCCCCCCCCCOC(=O)c1cc(O)c([O-])c(O)c1	ZINC000033861487	571316229	/nfs/dbraw/zinc/31/62/29/571316229.db2.gz	BRNPAEUKZMBRLQ-UHFFFAOYSA-N	-1	3	422.606	7.222	50	30		HKEAHM
C[C@@H](CCCc1ccccc1)Oc1cc([O-])c2c(c1)OC(C)(C)[C@H]1CCC(=O)C=C21	ZINC000034329151	524466106	/nfs/dbraw/zinc/46/61/06/524466106.db2.gz	HKAPCUHZEFKGQP-JTSKRJEESA-N	-1	3	406.522	5.716	50	30		HKEAHM
C[C@H](CCCc1ccccc1)Oc1cc([O-])c2c(c1)OC(C)(C)[C@H]1CCC(=O)C=C21	ZINC000034329152	524153346	/nfs/dbraw/zinc/15/33/46/524153346.db2.gz	HKAPCUHZEFKGQP-VGSWGCGISA-N	-1	3	406.522	5.716	50	30		HKEAHM
C[C@H](CCCc1ccccc1)Oc1cc([O-])c2c(c1)OC(C)(C)[C@@H]1CCC(=O)C=C21	ZINC000034329153	524154390	/nfs/dbraw/zinc/15/43/90/524154390.db2.gz	HKAPCUHZEFKGQP-VGOFRKELSA-N	-1	3	406.522	5.716	50	30		HKEAHM
COc1cc(/C=C\C(=O)c2ccc(C3CCCCC3)cc2)cc(Br)c1[O-]	ZINC000034863920	521983068	/nfs/dbraw/zinc/98/30/68/521983068.db2.gz	VIVGXPXXBDTJFK-GHXNOFRVSA-N	-1	3	415.327	6.107	50	30		HKEAHM
C=CCc1cc([C@H](Nc2ccccn2)c2ccc(Cl)cc2)c2cccnc2c1[O-]	ZINC000036245383	519133618	/nfs/dbraw/zinc/13/36/18/519133618.db2.gz	JHCXWEPLXJISKK-JOCHJYFZSA-N	-1	3	401.897	5.919	50	30		HKEAHM
C=CCc1cc([C@@H](Nc2ccccn2)c2ccc(Cl)cc2)c2cccnc2c1[O-]	ZINC000036245384	519134085	/nfs/dbraw/zinc/13/40/85/519134085.db2.gz	JHCXWEPLXJISKK-QFIPXVFZSA-N	-1	3	401.897	5.919	50	30		HKEAHM
C=CCNc1nc2c3sc4nc(C(F)F)cc(C5CC5)c4c3[n-]c(=O)c2s1	ZINC000036612876	518963758	/nfs/dbraw/zinc/96/37/58/518963758.db2.gz	USQNPHPSHDCCOE-UHFFFAOYSA-N	-1	3	404.467	5.160	50	30		HKEAHM
Cc1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)c2ccc(Br)cc2n1	ZINC000054430313	524198598	/nfs/dbraw/zinc/19/85/98/524198598.db2.gz	DAHXRRZBSZZARD-SFHVURJKSA-N	-1	3	416.278	5.344	50	30		HKEAHM
Cc1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)c2ccc(Br)cc2n1	ZINC000054430315	524198270	/nfs/dbraw/zinc/19/82/70/524198270.db2.gz	DAHXRRZBSZZARD-GOSISDBHSA-N	-1	3	416.278	5.344	50	30		HKEAHM
[O-]c1ccc2ccccc2c1/C=N/c1ccc(N2CCN(Cc3ccccc3)CC2)cc1	ZINC000057227612	526355404	/nfs/dbraw/zinc/35/54/04/526355404.db2.gz	YLUNJTYPBNUSIK-ZTKZIYFRSA-N	-1	3	421.544	5.618	50	30		HKEAHM
COc1cc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)cc(Br)c1[O-]	ZINC000058407611	558924882	/nfs/dbraw/zinc/92/48/82/558924882.db2.gz	MSZDLMFDGOGFOU-FARCUNLSSA-N	-1	3	401.178	5.078	50	30		HKEAHM
COc1ccccc1-c1nc(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)cs1	ZINC000058616344	568926720	/nfs/dbraw/zinc/92/67/20/568926720.db2.gz	DZVIWYSHNFQBJH-UHFFFAOYSA-N	-1	3	409.536	5.273	50	30		HKEAHM
Cc1ccc2nc(-c3ccc(/N=C/c4cc(Br)ccc4[O-])c(C)c3)oc2c1	ZINC000067321394	558986271	/nfs/dbraw/zinc/98/62/71/558986271.db2.gz	YNGOCHAKKVBUSO-WYMPLXKRSA-N	-1	3	421.294	6.330	50	30		HKEAHM
CCCCCCCCCCCCCCCC(=O)Nc1c([O-])c2ccccc2[nH]c1=O	ZINC000070665138	559043667	/nfs/dbraw/zinc/04/36/67/559043667.db2.gz	UAJPPQYHAXPBMV-UHFFFAOYSA-N	-1	3	414.590	6.654	50	30	biogenic	HKEAHM
Cc1sc([N-]C(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)c(C#N)c1C	ZINC000095349535	568600743	/nfs/dbraw/zinc/60/07/43/568600743.db2.gz	PHQSPPBLBIBLLE-UHFFFAOYSA-N	-1	3	414.861	6.376	50	30		HKEAHM
N#CC(=C([O-])c1cc2cc(Cl)ccc2[nH]1)c1nc(-c2ccc(Cl)cc2)cs1	ZINC000095352986	568601529	/nfs/dbraw/zinc/60/15/29/568601529.db2.gz	LHZLOAWNBXYQLO-HNNXBMFYSA-N	-1	3	412.301	6.088	50	30		HKEAHM
N#CC(=C([O-])c1cc2cc(Cl)ccc2[nH]1)c1nc(-c2ccc(Cl)cc2)cs1	ZINC000095352987	568601544	/nfs/dbraw/zinc/60/15/44/568601544.db2.gz	LHZLOAWNBXYQLO-OAHLLOKOSA-N	-1	3	412.301	6.088	50	30		HKEAHM
COc1cc(/N=C/c2cc(Cl)ccc2[O-])ccc1NC(=O)c1cc2ccccc2o1	ZINC000095482060	568634020	/nfs/dbraw/zinc/63/40/20/568634020.db2.gz	HTIFNTLILXJPOF-DHRITJCHSA-N	-1	3	420.852	5.803	50	30		HKEAHM
Cc1ccccc1-c1nc2ccc(/N=C/c3cc(Br)ccc3[O-])cc2o1	ZINC000095482066	568633915	/nfs/dbraw/zinc/63/39/15/568633915.db2.gz	YMHDNRDTISUVTP-FSJBWODESA-N	-1	3	407.267	6.022	50	30		HKEAHM
Cc1ccc(-c2nc3ccc(/N=C/c4cc(Br)ccc4[O-])cc3o2)cc1	ZINC000095482067	559081325	/nfs/dbraw/zinc/08/13/25/559081325.db2.gz	JZVOGXDLKNNWQL-FSJBWODESA-N	-1	3	407.267	6.022	50	30		HKEAHM
COc1ccccc1OCc1ccc(C(=O)[N-]c2ccccc2SCCC#N)o1	ZINC000095953562	568668272	/nfs/dbraw/zinc/66/82/72/568668272.db2.gz	DQHBTCWMWMPHDL-UHFFFAOYSA-N	-1	3	408.479	5.125	50	30		HKEAHM
COc1cc(/C=C\C(=O)c2ccc(C(F)(F)F)cc2)cc(Br)c1[O-]	ZINC000096401769	568750331	/nfs/dbraw/zinc/75/03/31/568750331.db2.gz	MSZDLMFDGOGFOU-UQCOIBPSSA-N	-1	3	401.178	5.078	50	30		HKEAHM
[O-]c1ccc2cc(Br)ccc2c1/C=N/c1ccc(Br)cn1	ZINC000096430107	558948726	/nfs/dbraw/zinc/94/87/26/558948726.db2.gz	ABAHBZYZGBHYJB-AWQFTUOYSA-N	-1	3	406.077	5.216	50	30		HKEAHM
C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CCSc1nnc(-c2ccccc2[O-])o1	ZINC000096594053	568763550	/nfs/dbraw/zinc/76/35/50/568763550.db2.gz	AITCEGBMORWMNW-NRYAXDJKSA-N	-1	3	412.599	6.723	50	30		HKEAHM
C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCSc1nnc(-c2ccccc2[O-])o1	ZINC000096594054	568763487	/nfs/dbraw/zinc/76/34/87/568763487.db2.gz	AITCEGBMORWMNW-MFSJNOQSSA-N	-1	3	412.599	6.723	50	30		HKEAHM
Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2cc([O-])ccc2Br)S1	ZINC000096835980	558992862	/nfs/dbraw/zinc/99/28/62/558992862.db2.gz	VXWRWBCRMOLSGA-OVCLIPMQSA-N	-1	3	423.719	5.008	50	30		HKEAHM
O=C(/C=C\c1cccc(Oc2ccccc2)c1)c1cc(Br)ccc(=O)c1[O-]	ZINC000097474830	557809351	/nfs/dbraw/zinc/80/93/51/557809351.db2.gz	DJYNNRXECCFUOY-LUAWRHEFSA-N	-1	3	423.262	5.203	50	30		HKEAHM
[O-]c1ccc(/C=N/c2c(-c3ccccc3)c(-c3ccccc3)nn2-c2ccccc2)cc1	ZINC000097958246	558987238	/nfs/dbraw/zinc/98/72/38/558987238.db2.gz	LHAXIEPKPSCIBM-ZTKZIYFRSA-N	-1	3	415.496	6.663	50	30		HKEAHM
CCCCCCCCOc1ccc(/C=C2\S/C(=N\c3cccc([O-])c3)NC2=O)cc1	ZINC000097959610	558992455	/nfs/dbraw/zinc/99/24/55/558992455.db2.gz	YHJVWTOASMESJY-JWGURIENSA-N	-1	3	424.566	6.023	50	30		HKEAHM
CCCCCCCCc1ccc(/N=C/c2ccc(OCCCCCC)cc2[O-])cc1	ZINC000097962844	558993282	/nfs/dbraw/zinc/99/32/82/558993282.db2.gz	MEBWRGNAAAGZSF-XAYXJRQQSA-N	-1	3	409.614	8.005	50	30		HKEAHM
Cc1ccc(NC(=O)c2c(/N=C/c3ccccc3[O-])sc3c2CCCC3)cc1C	ZINC000098086343	559064898	/nfs/dbraw/zinc/06/48/98/559064898.db2.gz	NNGUMBOTAYYUED-AFUMVMLFSA-N	-1	3	404.535	5.952	50	30		HKEAHM
O=C(Nc1cccc(/N=C/c2c([O-])ccc3ccccc32)c1)c1cc2ccccc2o1	ZINC000098086858	559126847	/nfs/dbraw/zinc/12/68/47/559126847.db2.gz	NKSDTAYNTBGVKV-JVWAILMASA-N	-1	3	406.441	6.295	50	30		HKEAHM
CCc1ccc(-c2nc3ccc(/N=C/c4cc(Br)ccc4[O-])cc3o2)cc1	ZINC000098086884	559126785	/nfs/dbraw/zinc/12/67/85/559126785.db2.gz	JJQLTJQWXKSGQI-ZMOGYAJESA-N	-1	3	421.294	6.276	50	30		HKEAHM
CC(C)c1ccc(-c2nc3ccc(/N=C/c4c([O-])ccc5ccccc54)cc3o2)cc1	ZINC000098086893	559065187	/nfs/dbraw/zinc/06/51/87/559065187.db2.gz	RMCRWFVVLJLWDF-LQKURTRISA-N	-1	3	406.485	7.228	50	30		HKEAHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@H]2c2ccccc2F)cc1	ZINC000100137752	559163188	/nfs/dbraw/zinc/16/31/88/559163188.db2.gz	BJNNPQYOEMYJCE-KROBSHITSA-N	-1	3	413.448	5.317	50	30		HKEAHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@@H]2c2ccccc2F)cc1	ZINC000100137756	559163236	/nfs/dbraw/zinc/16/32/36/559163236.db2.gz	BJNNPQYOEMYJCE-LXGWOEDASA-N	-1	3	413.448	5.317	50	30		HKEAHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@H]2c2ccc(F)cc2)cc1	ZINC000100137768	559163230	/nfs/dbraw/zinc/16/32/30/559163230.db2.gz	GLOABBQFENJIPL-BFFNPARHSA-N	-1	3	413.448	5.317	50	30		HKEAHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000100137771	559163213	/nfs/dbraw/zinc/16/32/13/559163213.db2.gz	GLOABBQFENJIPL-OMHSXHNCSA-N	-1	3	413.448	5.317	50	30		HKEAHM
Cc1cccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@H]2c2ccccc2F)c1	ZINC000100145051	559164009	/nfs/dbraw/zinc/16/40/09/559164009.db2.gz	JPOLKQCWAATQLF-DKUDOZJNSA-N	-1	3	413.448	5.317	50	30		HKEAHM
Cc1cccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@@H]2c2ccccc2F)c1	ZINC000100145054	559163984	/nfs/dbraw/zinc/16/39/84/559163984.db2.gz	JPOLKQCWAATQLF-ZXYASIKESA-N	-1	3	413.448	5.317	50	30		HKEAHM
Cc1cccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@H]2c2ccc(F)cc2)c1	ZINC000100145069	559130531	/nfs/dbraw/zinc/13/05/31/559130531.db2.gz	BYMXOTYXFCWKSE-USXRGHEGSA-N	-1	3	413.448	5.317	50	30		HKEAHM
Cc1cccc(N2C(=O)C(=O)C(=C([O-])C=Cc3ccccc3)[C@@H]2c2ccc(F)cc2)c1	ZINC000100145070	559130537	/nfs/dbraw/zinc/13/05/37/559130537.db2.gz	BYMXOTYXFCWKSE-RLMNYEENSA-N	-1	3	413.448	5.317	50	30		HKEAHM
CCCCc1ccc(NC(=O)CSc2ccccc2/N=C\c2ccccc2[O-])cc1	ZINC000100164399	559131454	/nfs/dbraw/zinc/13/14/54/559131454.db2.gz	ILVBHHBDOIUACM-ONUIUJJFSA-N	-1	3	418.562	6.216	50	30		HKEAHM
CCCCCCCCC/C(=N\[O-])c1cc(CCCCCC)c(OCCCC)cc1O	ZINC000100166358	559131450	/nfs/dbraw/zinc/13/14/50/559131450.db2.gz	LKMMLBZOZACXKO-SOYKGTTHSA-N	-1	3	419.650	8.013	50	30		HKEAHM
CCCCCCCCCCCC(=NNc1ccccc1)c1cc(Cl)ccc1[O-]	ZINC000100166619	571317791	/nfs/dbraw/zinc/31/77/91/571317791.db2.gz	DMPHTYGNSHQNHT-SLEBQGDGSA-N	-1	3	400.994	7.783	50	30		HKEAHM
CCCCCCCCCCCCCCCCCCOc1ccc(/C(C)=N/[O-])c(O)c1	ZINC000100167035	569013006	/nfs/dbraw/zinc/01/30/06/569013006.db2.gz	WCDKWODSRHMUFA-SLEBQGDGSA-N	-1	3	419.650	8.231	50	30		HKEAHM
CCOc1ccc(/N=C2/S/C(=C\c3cc(Cl)ccc3[O-])C(=O)N2CC)cc1	ZINC000100259540	559133478	/nfs/dbraw/zinc/13/34/78/559133478.db2.gz	DONUJMPKVCNWIX-CFDZAGTRSA-N	-1	3	402.903	5.068	50	30		HKEAHM
CN1C(=O)/C(=C/c2cc(Cl)ccc2[O-])S/C1=N/c1cccc(C(F)(F)F)c1	ZINC000100291939	559193111	/nfs/dbraw/zinc/19/31/11/559193111.db2.gz	POEJSVGYASAULC-CSRNMWFLSA-N	-1	3	412.820	5.298	50	30		HKEAHM
CCCCCCCC(=O)OCc1cnc(C)c([O-])c1COC(=O)CCCCCCC	ZINC000100295310	559133820	/nfs/dbraw/zinc/13/38/20/559133820.db2.gz	PAUSGZCRNOTKPK-UHFFFAOYSA-N	-1	3	421.578	5.903	50	30		HKEAHM
Cc1cc(/N=C/c2cc(Cl)ccc2[O-])ccc1NC(=O)c1cc2ccccc2o1	ZINC000100297270	559133811	/nfs/dbraw/zinc/13/38/11/559133811.db2.gz	RDKAYXDRWCYVEP-DHRITJCHSA-N	-1	3	404.853	6.103	50	30		HKEAHM
O=C(Nc1ccccc1)C(N=Nc1ccc(Cl)cc1)=N[N-]c1ccc(Cl)cc1	ZINC000100401558	559199181	/nfs/dbraw/zinc/19/91/81/559199181.db2.gz	BKJHVRGBMDPYHI-OYMPBZEMSA-N	-1	3	412.280	6.141	50	30		HKEAHM
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)C1=C([O-])c1ccccc1	ZINC000100439696	559200754	/nfs/dbraw/zinc/20/07/54/559200754.db2.gz	SDRQLCWKYNSKTI-NHFXJNLRSA-N	-1	3	423.390	5.332	50	30		HKEAHM
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)C1=C([O-])c1ccccc1	ZINC000100439703	559200721	/nfs/dbraw/zinc/20/07/21/559200721.db2.gz	SDRQLCWKYNSKTI-YDJIHCHBSA-N	-1	3	423.390	5.332	50	30		HKEAHM
O=C(CSc1ccc(/N=C/c2ccccc2[O-])cc1)Nc1ccc(F)c(Cl)c1	ZINC000100457309	558450900	/nfs/dbraw/zinc/45/09/00/558450900.db2.gz	MTLRRJMMBZUJBG-WYMPLXKRSA-N	-1	3	414.889	5.666	50	30		HKEAHM
[O-]/N=C1/CCCc2cnc(-c3ccc(OCc4ccc(C(F)(F)F)cc4)cc3)nc21	ZINC000100467917	559204142	/nfs/dbraw/zinc/20/41/42/559204142.db2.gz	AQAVOAVBPYQIIX-USHMODERSA-N	-1	3	413.399	5.256	50	30		HKEAHM
CCN(CC)c1ccc(/C=N/c2c(C)c3ccc(N(CC)CC)cc3oc2=O)c([O-])c1	ZINC000100500395	559135820	/nfs/dbraw/zinc/13/58/20/559135820.db2.gz	PHPINWQYWMMFJS-WGOQTCKBSA-N	-1	3	421.541	5.250	50	30		HKEAHM
COc1ccc(-c2nc3cc(/N=C/c4cc(Br)ccc4[O-])ccc3o2)cc1	ZINC000100501273	559135799	/nfs/dbraw/zinc/13/57/99/559135799.db2.gz	QYDCSEFSZADARP-FSJBWODESA-N	-1	3	423.266	5.722	50	30		HKEAHM
Cc1ccc2oc(-c3cccc(/N=C/c4c([O-])cc(C)c(Cl)c4C)c3C)nc2c1	ZINC000100502234	559135802	/nfs/dbraw/zinc/13/58/02/559135802.db2.gz	UUDLGOQNWBTCNN-RPPGKUMJSA-N	-1	3	404.897	6.838	50	30		HKEAHM
Cc1ccc2oc(-c3cccc(/N=C/c4cc(Br)ccc4[O-])c3C)nc2c1	ZINC000100502235	559135767	/nfs/dbraw/zinc/13/57/67/559135767.db2.gz	RANLLDUTEGYXFD-WYMPLXKRSA-N	-1	3	421.294	6.330	50	30		HKEAHM
Cc1ccc(-c2nc3cc(/N=C/c4cc(Br)ccc4[O-])ccc3o2)cc1	ZINC000100502926	559135920	/nfs/dbraw/zinc/13/59/20/559135920.db2.gz	ASKREDZUGLOJGJ-FSJBWODESA-N	-1	3	407.267	6.022	50	30		HKEAHM
Cc1cc(C)cc(-c2nc3cc(/N=C/c4cc(Br)ccc4[O-])ccc3o2)c1	ZINC000100503040	559135905	/nfs/dbraw/zinc/13/59/05/559135905.db2.gz	KUZIMWYRORLGOF-WYMPLXKRSA-N	-1	3	421.294	6.330	50	30		HKEAHM
Cc1ccc2nc(-c3ccc(C)c(/N=C/c4cc(Br)ccc4[O-])c3)oc2c1	ZINC000100503043	559135897	/nfs/dbraw/zinc/13/58/97/559135897.db2.gz	NRPRAKQFKHPVLB-WYMPLXKRSA-N	-1	3	421.294	6.330	50	30		HKEAHM
COc1cc(Br)cc(/C=N/c2cccc(-c3nc4ncccc4o3)c2)c1[O-]	ZINC000100505820	559135882	/nfs/dbraw/zinc/13/58/82/559135882.db2.gz	JUZHMUCBQSKXFC-FOKLQQMPSA-N	-1	3	424.254	5.117	50	30		HKEAHM
Cc1cccc(C(=O)Nc2ccc(/N=C/c3cc(Br)ccc3[O-])cc2)c1	ZINC000100507130	559135981	/nfs/dbraw/zinc/13/59/81/559135981.db2.gz	OHYDWUFHUGFITJ-YDZHTSKRSA-N	-1	3	409.283	5.466	50	30		HKEAHM
[O-]c1ccc(Br)cc1/C=N/c1ccc2oc(-c3ccccc3F)nc2c1	ZINC000100507615	559135954	/nfs/dbraw/zinc/13/59/54/559135954.db2.gz	XAVDPSODIZHWJR-FOKLQQMPSA-N	-1	3	411.230	5.853	50	30		HKEAHM
[O-]c1ccc(Cc2ccccc2)cc1/C=N/c1ccc2oc(-c3ccc(F)cc3)nc2c1	ZINC000100537200	559136280	/nfs/dbraw/zinc/13/62/80/559136280.db2.gz	KZEIIGANORVYOA-STBIYBPSSA-N	-1	3	422.459	6.681	50	30		HKEAHM
O=C1C(=NN=c2[n-]c(-c3ccccc3)cs2)C(c2ccccc2)=NN1c1ccccc1	ZINC000100557577	559136479	/nfs/dbraw/zinc/13/64/79/559136479.db2.gz	WQADAEJRFNYVKN-XTCLZLMSSA-N	-1	3	423.501	5.029	50	30		HKEAHM
Cc1ccc(C(=O)CC(=Nc2cc(Cl)ccc2[O-])C(=O)c2ccc(C)cc2)cc1	ZINC000100558736	559226251	/nfs/dbraw/zinc/22/62/51/559226251.db2.gz	KMOZFHORYTXUEY-STZFKDTASA-N	-1	3	405.881	5.724	50	30		HKEAHM
Cc1ccc(C(=O)C=C(Nc2cc(Cl)ccc2[O-])C(=O)c2ccc(C)cc2)cc1	ZINC000100558736	559226252	/nfs/dbraw/zinc/22/62/52/559226252.db2.gz	KMOZFHORYTXUEY-STZFKDTASA-N	-1	3	405.881	5.724	50	30		HKEAHM
CCCCCCCCCCCCCCCCn1c2c([nH]c1=S)n(C)c(=O)[n-]c2=O	ZINC000100684942	559256275	/nfs/dbraw/zinc/25/62/75/559256275.db2.gz	NDJRRAUDNZCKEC-UHFFFAOYSA-N	-1	3	422.639	5.193	50	30		HKEAHM
O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1N=Cc1ccccc1[O-]	ZINC000100703757	559258237	/nfs/dbraw/zinc/25/82/37/559258237.db2.gz	QZSLLCZUUWFWFK-ZMOGYAJESA-N	-1	3	419.278	5.826	50	30		HKEAHM
[O-]c1ccc(Cl)cc1/C=N/c1sc2c(c1-c1nc3ccccc3s1)CCCC2	ZINC000100813229	559269146	/nfs/dbraw/zinc/26/91/46/559269146.db2.gz	LJBSSOSVFRKULX-WYMPLXKRSA-N	-1	3	424.978	7.013	50	30		HKEAHM
CCOC(=O)c1c(/N=C/c2ccc(N(CC)CC)cc2[O-])sc2c1CCCC2	ZINC000100854037	560760227	/nfs/dbraw/zinc/76/02/27/560760227.db2.gz	ZEAQLWGVRUHOCY-OEAKJJBVSA-N	-1	3	400.544	5.106	50	30		HKEAHM
CCCCCCCCCCCC(=NOC(=O)Nc1ccccc1)c1cc(C)ccc1[O-]	ZINC000100930310	519982494	/nfs/dbraw/zinc/98/24/94/519982494.db2.gz	HPKJNPMFDFIEFI-ZZIIXHQDSA-N	-1	3	424.585	7.574	50	30		HKEAHM
CCCCCCCCCCN[C@H](c1ccccc1)C1=C([O-])c2ccccc2C(=O)C1=O	ZINC000100971685	569013125	/nfs/dbraw/zinc/01/31/25/569013125.db2.gz	JRMQEQBMAPHMJK-XMMPIXPASA-N	-1	3	419.565	6.349	50	30		HKEAHM
CCCCCCCCCCN[C@H](c1ccccc1)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000100971685	569013126	/nfs/dbraw/zinc/01/31/26/569013126.db2.gz	JRMQEQBMAPHMJK-XMMPIXPASA-N	-1	3	419.565	6.349	50	30		HKEAHM
CCCCCCCCCCN[C@@H](c1ccccc1)C1=C([O-])c2ccccc2C(=O)C1=O	ZINC000100971688	569013137	/nfs/dbraw/zinc/01/31/37/569013137.db2.gz	JRMQEQBMAPHMJK-DEOSSOPVSA-N	-1	3	419.565	6.349	50	30		HKEAHM
CCCCCCCCCCN[C@@H](c1ccccc1)C1=C([O-])C(=O)c2ccccc2C1=O	ZINC000100971688	569013138	/nfs/dbraw/zinc/01/31/38/569013138.db2.gz	JRMQEQBMAPHMJK-DEOSSOPVSA-N	-1	3	419.565	6.349	50	30		HKEAHM
CCCCCCCCCCCCCCCCCC(=O)c1ccc2ccccc2c1[O-]	ZINC000101017326	569013128	/nfs/dbraw/zinc/01/31/28/569013128.db2.gz	ZEEXNGJDQDBVAV-UHFFFAOYSA-N	-1	3	410.642	8.990	50	30		HKEAHM
CCN(CC)C(=S)SC/C(=N\[O-])c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	ZINC000101038036	560767132	/nfs/dbraw/zinc/76/71/32/560767132.db2.gz	QXCONMLJFIJECI-OQKWZONESA-N	-1	3	410.649	5.525	50	30		HKEAHM
[O-]c1ccc2ccccc2c1/C=N/c1ccccc1/N=C/c1c(O)ccc2ccccc21	ZINC000101126787	569013156	/nfs/dbraw/zinc/01/31/56/569013156.db2.gz	KVDCEOOVOSUMOB-YAGSLNJISA-N	-1	3	416.480	6.905	50	30		HKEAHM
C=CCc1cccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c1[O-]	ZINC000101332726	560791963	/nfs/dbraw/zinc/79/19/63/560791963.db2.gz	ONDPXBOVLPDHSY-DEOSSOPVSA-N	-1	3	402.538	6.609	50	30		HKEAHM
C=CCc1cccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c1[O-]	ZINC000101332729	560791972	/nfs/dbraw/zinc/79/19/72/560791972.db2.gz	ONDPXBOVLPDHSY-XMMPIXPASA-N	-1	3	402.538	6.609	50	30		HKEAHM
C[C@@H](CCCc1ccccc1)Oc1cc([O-])c2c(c1)OC(C)(C)[C@@H]1CCC(=O)C=C21	ZINC000101360472	559146623	/nfs/dbraw/zinc/14/66/23/559146623.db2.gz	HKAPCUHZEFKGQP-HTAPYJJXSA-N	-1	3	406.522	5.716	50	30		HKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@H]2c1ccccc1Cl	ZINC000102044444	560805924	/nfs/dbraw/zinc/80/59/24/560805924.db2.gz	VJJQYDMOPIQGRV-IBGZPJMESA-N	-1	3	419.912	5.020	50	30		HKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccccc1Cl	ZINC000102044450	560805869	/nfs/dbraw/zinc/80/58/69/560805869.db2.gz	VJJQYDMOPIQGRV-LJQANCHMSA-N	-1	3	419.912	5.020	50	30		HKEAHM
O=C1c2cc(Br)ccc2[N-]/C1=C1/Sc2c(ccc3ccccc23)C1=O	ZINC000102311084	559149916	/nfs/dbraw/zinc/14/99/16/559149916.db2.gz	XYWGINGZGDZNMW-CAPFRKAQSA-N	-1	3	408.276	5.411	50	30		HKEAHM
Cc1cc(/N=C/c2cc(Br)ccc2[O-])cc2nc(-c3ccccc3)oc21	ZINC000102414081	560810812	/nfs/dbraw/zinc/81/08/12/560810812.db2.gz	WPECRDIYQYTJKU-FSJBWODESA-N	-1	3	407.267	6.022	50	30		HKEAHM
O=C(Nc1ccc(/N=C/c2c([O-])ccc3ccccc32)cc1)c1cc2ccccc2o1	ZINC000102417278	559150236	/nfs/dbraw/zinc/15/02/36/559150236.db2.gz	JUUTYYWPMCROHS-JVWAILMASA-N	-1	3	406.441	6.295	50	30		HKEAHM
O=C(Nc1ccc(/N=C/c2cc(Br)ccc2[O-])cc1Cl)c1ccco1	ZINC000102417315	559150226	/nfs/dbraw/zinc/15/02/26/559150226.db2.gz	GPOGMDLVEUPSGC-UFFVCSGVSA-N	-1	3	419.662	5.404	50	30		HKEAHM
CC(C)(C)c1ccc(-c2nc3ccc(/N=C/c4c([O-])ccc5ccccc54)cc3o2)cc1	ZINC000102417444	559150234	/nfs/dbraw/zinc/15/02/34/559150234.db2.gz	QLRIOQUKRSWHOX-STBIYBPSSA-N	-1	3	420.512	7.402	50	30		HKEAHM
Cc1cccc(-c2nc3ccc(/N=C/c4cc(Br)ccc4[O-])cc3o2)c1	ZINC000102417504	559150363	/nfs/dbraw/zinc/15/03/63/559150363.db2.gz	QXJAIANUJZNZSG-FSJBWODESA-N	-1	3	407.267	6.022	50	30		HKEAHM
Cc1cc(/N=C/c2c([O-])ccc3ccccc32)ccc1NC(=O)c1cc2ccccc2o1	ZINC000102420063	559150372	/nfs/dbraw/zinc/15/03/72/559150372.db2.gz	OIJSWFVEFIDWEP-LQKURTRISA-N	-1	3	420.468	6.603	50	30		HKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@H]2c1ccc(Cl)cc1	ZINC000102449844	560811580	/nfs/dbraw/zinc/81/15/80/560811580.db2.gz	KRUPAYPFWTUIPT-IBGZPJMESA-N	-1	3	419.912	5.020	50	30		HKEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[n-]n(-c3ccccc3)c(=O)c1[C@@H]2c1ccc(Cl)cc1	ZINC000102449851	560811685	/nfs/dbraw/zinc/81/16/85/560811685.db2.gz	KRUPAYPFWTUIPT-LJQANCHMSA-N	-1	3	419.912	5.020	50	30		HKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)sc1C	ZINC000102501814	560812674	/nfs/dbraw/zinc/81/26/74/560812674.db2.gz	WCIGGWDFDRUAQL-YDJIHCHBSA-N	-1	3	418.518	5.003	50	30		HKEAHM
Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)sc1C	ZINC000102501814	560812675	/nfs/dbraw/zinc/81/26/75/560812675.db2.gz	WCIGGWDFDRUAQL-YDJIHCHBSA-N	-1	3	418.518	5.003	50	30		HKEAHM
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)sc1C	ZINC000102501820	560812638	/nfs/dbraw/zinc/81/26/38/560812638.db2.gz	WCIGGWDFDRUAQL-NHFXJNLRSA-N	-1	3	418.518	5.003	50	30		HKEAHM
Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)sc1C	ZINC000102501820	560812639	/nfs/dbraw/zinc/81/26/39/560812639.db2.gz	WCIGGWDFDRUAQL-NHFXJNLRSA-N	-1	3	418.518	5.003	50	30		HKEAHM
Cc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1	ZINC000102525713	560816202	/nfs/dbraw/zinc/81/62/02/560816202.db2.gz	NTFIXDODTUVGPY-HOGKFDNTSA-N	-1	3	417.892	5.583	50	30		HKEAHM
Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)c(Cl)c2)cc1	ZINC000102525713	560816204	/nfs/dbraw/zinc/81/62/04/560816204.db2.gz	NTFIXDODTUVGPY-HOGKFDNTSA-N	-1	3	417.892	5.583	50	30		HKEAHM
Cc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1	ZINC000102525719	560816151	/nfs/dbraw/zinc/81/61/51/560816151.db2.gz	NTFIXDODTUVGPY-MOBKVPTQSA-N	-1	3	417.892	5.583	50	30		HKEAHM
Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)c(Cl)c2)cc1	ZINC000102525719	560816153	/nfs/dbraw/zinc/81/61/53/560816153.db2.gz	NTFIXDODTUVGPY-MOBKVPTQSA-N	-1	3	417.892	5.583	50	30		HKEAHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccccc2)cc1Cl	ZINC000102532969	560813503	/nfs/dbraw/zinc/81/35/03/560813503.db2.gz	ARTVREJYTRZPIQ-JBCNATCCSA-N	-1	3	403.865	5.275	50	30		HKEAHM
Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1Cl	ZINC000102532969	560813505	/nfs/dbraw/zinc/81/35/05/560813505.db2.gz	ARTVREJYTRZPIQ-JBCNATCCSA-N	-1	3	403.865	5.275	50	30		HKEAHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccccc2)cc1Cl	ZINC000102532978	560813468	/nfs/dbraw/zinc/81/34/68/560813468.db2.gz	ARTVREJYTRZPIQ-MRJHHRETSA-N	-1	3	403.865	5.275	50	30		HKEAHM
Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1Cl	ZINC000102532978	560813470	/nfs/dbraw/zinc/81/34/70/560813470.db2.gz	ARTVREJYTRZPIQ-MRJHHRETSA-N	-1	3	403.865	5.275	50	30		HKEAHM
Cc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(Cl)cc2)c1	ZINC000102590106	560817363	/nfs/dbraw/zinc/81/73/63/560817363.db2.gz	OBRWDCDXYJMPEY-JBCNATCCSA-N	-1	3	403.865	5.275	50	30		HKEAHM
Cc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)c1	ZINC000102590106	560817364	/nfs/dbraw/zinc/81/73/64/560817364.db2.gz	OBRWDCDXYJMPEY-JBCNATCCSA-N	-1	3	403.865	5.275	50	30		HKEAHM
Cc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1	ZINC000102590112	560817340	/nfs/dbraw/zinc/81/73/40/560817340.db2.gz	OBRWDCDXYJMPEY-MRJHHRETSA-N	-1	3	403.865	5.275	50	30		HKEAHM
Cc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1	ZINC000102590112	560817341	/nfs/dbraw/zinc/81/73/41/560817341.db2.gz	OBRWDCDXYJMPEY-MRJHHRETSA-N	-1	3	403.865	5.275	50	30		HKEAHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccccc2F)cc1Cl	ZINC000102607441	560817900	/nfs/dbraw/zinc/81/79/00/560817900.db2.gz	OJNYSAUZUWENQY-JBCNATCCSA-N	-1	3	421.855	5.414	50	30		HKEAHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccccc2F)cc1Cl	ZINC000102607444	560817894	/nfs/dbraw/zinc/81/78/94/560817894.db2.gz	OJNYSAUZUWENQY-MRJHHRETSA-N	-1	3	421.855	5.414	50	30		HKEAHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1	ZINC000102616166	560818139	/nfs/dbraw/zinc/81/81/39/560818139.db2.gz	IXXZHWNSIRWGOO-JBCNATCCSA-N	-1	3	421.855	5.414	50	30		HKEAHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1	ZINC000102616170	560818152	/nfs/dbraw/zinc/81/81/52/560818152.db2.gz	IXXZHWNSIRWGOO-MRJHHRETSA-N	-1	3	421.855	5.414	50	30		HKEAHM
Cc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccccc2Cl)c1	ZINC000102618843	560818182	/nfs/dbraw/zinc/81/81/82/560818182.db2.gz	QUUOEWIDBZYERS-JBCNATCCSA-N	-1	3	403.865	5.275	50	30		HKEAHM
Cc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2Cl)c1	ZINC000102618843	560818184	/nfs/dbraw/zinc/81/81/84/560818184.db2.gz	QUUOEWIDBZYERS-JBCNATCCSA-N	-1	3	403.865	5.275	50	30		HKEAHM
Cc1cccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccccc2Cl)c1	ZINC000102618851	560818162	/nfs/dbraw/zinc/81/81/62/560818162.db2.gz	QUUOEWIDBZYERS-MRJHHRETSA-N	-1	3	403.865	5.275	50	30		HKEAHM
Cc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2Cl)c1	ZINC000102618851	560818164	/nfs/dbraw/zinc/81/81/64/560818164.db2.gz	QUUOEWIDBZYERS-MRJHHRETSA-N	-1	3	403.865	5.275	50	30		HKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2ccc(C(C)C)cc2)no1	ZINC000102698162	560820050	/nfs/dbraw/zinc/82/00/50/560820050.db2.gz	WJESYPLEADTYDG-MOBKVPTQSA-N	-1	3	416.477	5.041	50	30		HKEAHM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(C)C)cc2)no1	ZINC000102698162	560820052	/nfs/dbraw/zinc/82/00/52/560820052.db2.gz	WJESYPLEADTYDG-MOBKVPTQSA-N	-1	3	416.477	5.041	50	30		HKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccc(C(C)C)cc2)no1	ZINC000102698167	560820078	/nfs/dbraw/zinc/82/00/78/560820078.db2.gz	WJESYPLEADTYDG-HOGKFDNTSA-N	-1	3	416.477	5.041	50	30		HKEAHM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C(C)C)cc2)no1	ZINC000102698167	560820079	/nfs/dbraw/zinc/82/00/79/560820079.db2.gz	WJESYPLEADTYDG-HOGKFDNTSA-N	-1	3	416.477	5.041	50	30		HKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc4ccccc4c3)[C@H]2c2ccc(C)cc2)no1	ZINC000102718503	569041370	/nfs/dbraw/zinc/04/13/70/569041370.db2.gz	KAQQEFPWPYRBGN-ZHHPLPSFSA-N	-1	3	424.456	5.071	50	30		HKEAHM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc4ccccc4c3)[C@H]2c2ccc(C)cc2)no1	ZINC000102718503	569041371	/nfs/dbraw/zinc/04/13/71/569041371.db2.gz	KAQQEFPWPYRBGN-ZHHPLPSFSA-N	-1	3	424.456	5.071	50	30		HKEAHM
Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc4ccccc4c3)[C@@H]2c2ccc(C)cc2)no1	ZINC000102718504	560823408	/nfs/dbraw/zinc/82/34/08/560823408.db2.gz	KAQQEFPWPYRBGN-AYWGPLOBSA-N	-1	3	424.456	5.071	50	30		HKEAHM
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc4ccccc4c3)[C@@H]2c2ccc(C)cc2)no1	ZINC000102718504	560823410	/nfs/dbraw/zinc/82/34/10/560823410.db2.gz	KAQQEFPWPYRBGN-AYWGPLOBSA-N	-1	3	424.456	5.071	50	30		HKEAHM
CCCCCCCCCCCCCCCCCC/N=C\c1c([O-])ccc2ccccc21	ZINC000102774356	559152793	/nfs/dbraw/zinc/15/27/93/559152793.db2.gz	JAYIUYNQPAYHPU-JVCXMKTPSA-N	-1	3	423.685	9.226	50	30		HKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000102800930	560828573	/nfs/dbraw/zinc/82/85/73/560828573.db2.gz	IRCWOZKJYUCHBH-MRJHHRETSA-N	-1	3	403.865	5.275	50	30		HKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000102800930	560828574	/nfs/dbraw/zinc/82/85/74/560828574.db2.gz	IRCWOZKJYUCHBH-MRJHHRETSA-N	-1	3	403.865	5.275	50	30		HKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000102800932	560828462	/nfs/dbraw/zinc/82/84/62/560828462.db2.gz	IRCWOZKJYUCHBH-JBCNATCCSA-N	-1	3	403.865	5.275	50	30		HKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000102800932	560828464	/nfs/dbraw/zinc/82/84/64/560828464.db2.gz	IRCWOZKJYUCHBH-JBCNATCCSA-N	-1	3	403.865	5.275	50	30		HKEAHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1	ZINC000102802222	560828777	/nfs/dbraw/zinc/82/87/77/560828777.db2.gz	ZXFWDYGEKMRZSZ-JBCNATCCSA-N	-1	3	403.865	5.275	50	30		HKEAHM
Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1	ZINC000102802222	560828778	/nfs/dbraw/zinc/82/87/78/560828778.db2.gz	ZXFWDYGEKMRZSZ-JBCNATCCSA-N	-1	3	403.865	5.275	50	30		HKEAHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1	ZINC000102802226	560828754	/nfs/dbraw/zinc/82/87/54/560828754.db2.gz	ZXFWDYGEKMRZSZ-MRJHHRETSA-N	-1	3	403.865	5.275	50	30		HKEAHM
Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1	ZINC000102802226	560828755	/nfs/dbraw/zinc/82/87/55/560828755.db2.gz	ZXFWDYGEKMRZSZ-MRJHHRETSA-N	-1	3	403.865	5.275	50	30		HKEAHM
Cc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)cc1	ZINC000102861285	560831853	/nfs/dbraw/zinc/83/18/53/560831853.db2.gz	ZYJPYFHTSJJTKR-JBCNATCCSA-N	-1	3	403.865	5.275	50	30		HKEAHM
Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(Cl)c2)cc1	ZINC000102861285	560831854	/nfs/dbraw/zinc/83/18/54/560831854.db2.gz	ZYJPYFHTSJJTKR-JBCNATCCSA-N	-1	3	403.865	5.275	50	30		HKEAHM
Cc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)cc1	ZINC000102861289	560831856	/nfs/dbraw/zinc/83/18/56/560831856.db2.gz	ZYJPYFHTSJJTKR-MRJHHRETSA-N	-1	3	403.865	5.275	50	30		HKEAHM
Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(Cl)c2)cc1	ZINC000102861289	560831857	/nfs/dbraw/zinc/83/18/57/560831857.db2.gz	ZYJPYFHTSJJTKR-MRJHHRETSA-N	-1	3	403.865	5.275	50	30		HKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102876514	560830502	/nfs/dbraw/zinc/83/05/02/560830502.db2.gz	QONZNSORGVXTEL-NHFXJNLRSA-N	-1	3	418.518	5.201	50	30		HKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102876514	560830503	/nfs/dbraw/zinc/83/05/03/560830503.db2.gz	QONZNSORGVXTEL-NHFXJNLRSA-N	-1	3	418.518	5.201	50	30		HKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102876515	560830565	/nfs/dbraw/zinc/83/05/65/560830565.db2.gz	QONZNSORGVXTEL-YDJIHCHBSA-N	-1	3	418.518	5.201	50	30		HKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102876515	560830567	/nfs/dbraw/zinc/83/05/67/560830567.db2.gz	QONZNSORGVXTEL-YDJIHCHBSA-N	-1	3	418.518	5.201	50	30		HKEAHM
Cc1cccc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2ccc(C(C)C)cc2)n1	ZINC000102927313	560834418	/nfs/dbraw/zinc/83/44/18/560834418.db2.gz	YDIXPKOBVHMNDE-JBCNATCCSA-N	-1	3	418.518	5.201	50	30		HKEAHM
Cc1cccc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(C(C)C)cc2)n1	ZINC000102927313	560834420	/nfs/dbraw/zinc/83/44/20/560834420.db2.gz	YDIXPKOBVHMNDE-JBCNATCCSA-N	-1	3	418.518	5.201	50	30		HKEAHM
Cc1cccc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2ccc(C(C)C)cc2)n1	ZINC000102927315	560834454	/nfs/dbraw/zinc/83/44/54/560834454.db2.gz	YDIXPKOBVHMNDE-MRJHHRETSA-N	-1	3	418.518	5.201	50	30		HKEAHM
Cc1cccc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(C(C)C)cc2)n1	ZINC000102927315	560834457	/nfs/dbraw/zinc/83/44/57/560834457.db2.gz	YDIXPKOBVHMNDE-MRJHHRETSA-N	-1	3	418.518	5.201	50	30		HKEAHM
Cc1ccc2oc(-c3cc(/N=C/c4c([O-])ccc5ccccc54)ccc3Cl)nc2c1	ZINC000103753658	559156958	/nfs/dbraw/zinc/15/69/58/559156958.db2.gz	DBQGHGAEKRRMSL-MZJWZYIUSA-N	-1	3	412.876	7.066	50	30		HKEAHM
CCOC(=O)c1c(/N=C/c2cc(Br)cc(C)c2[O-])sc2c1CCCC2	ZINC000103776291	521375690	/nfs/dbraw/zinc/37/56/90/521375690.db2.gz	GVSFMKMSQKOGML-UFFVCSGVSA-N	-1	3	422.344	5.331	50	30		HKEAHM
C=CCc1cccc(/C=N\CCCCCCCCCCCCCCCCCC)c1[O-]	ZINC000103946164	560845138	/nfs/dbraw/zinc/84/51/38/560845138.db2.gz	CCHAZUUOXACWRM-GNVQSUKOSA-N	-1	3	413.690	8.801	50	30		HKEAHM
CCOC(=O)C(Sc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N)=C(C)[O-]	ZINC000104005000	560847592	/nfs/dbraw/zinc/84/75/92/560847592.db2.gz	ZCMPNKMTFTUUSX-JWGURIENSA-N	-1	3	416.502	5.732	50	30		HKEAHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000104123201	560848442	/nfs/dbraw/zinc/84/84/42/560848442.db2.gz	MKOJDDUNMDQJGY-JBCNATCCSA-N	-1	3	403.865	5.275	50	30		HKEAHM
Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000104123201	560848444	/nfs/dbraw/zinc/84/84/44/560848444.db2.gz	MKOJDDUNMDQJGY-JBCNATCCSA-N	-1	3	403.865	5.275	50	30		HKEAHM
Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000104123206	560848345	/nfs/dbraw/zinc/84/83/45/560848345.db2.gz	MKOJDDUNMDQJGY-MRJHHRETSA-N	-1	3	403.865	5.275	50	30		HKEAHM
Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000104123206	560848347	/nfs/dbraw/zinc/84/83/47/560848347.db2.gz	MKOJDDUNMDQJGY-MRJHHRETSA-N	-1	3	403.865	5.275	50	30		HKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000104133151	560848366	/nfs/dbraw/zinc/84/83/66/560848366.db2.gz	OKSBHHVVLWQQIC-HOGKFDNTSA-N	-1	3	401.437	5.069	50	30		HKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000104133151	560848367	/nfs/dbraw/zinc/84/83/67/560848367.db2.gz	OKSBHHVVLWQQIC-HOGKFDNTSA-N	-1	3	401.437	5.069	50	30		HKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1	ZINC000104133157	560848506	/nfs/dbraw/zinc/84/85/06/560848506.db2.gz	OKSBHHVVLWQQIC-MOBKVPTQSA-N	-1	3	401.437	5.069	50	30		HKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)cc1	ZINC000104133157	560848507	/nfs/dbraw/zinc/84/85/07/560848507.db2.gz	OKSBHHVVLWQQIC-MOBKVPTQSA-N	-1	3	401.437	5.069	50	30		HKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000104194563	560849678	/nfs/dbraw/zinc/84/96/78/560849678.db2.gz	UYDPILZJQZLNCG-AYWGPLOBSA-N	-1	3	412.489	5.140	50	30		HKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000104194563	560849680	/nfs/dbraw/zinc/84/96/80/560849680.db2.gz	UYDPILZJQZLNCG-AYWGPLOBSA-N	-1	3	412.489	5.140	50	30		HKEAHM
Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000104194566	560849659	/nfs/dbraw/zinc/84/96/59/560849659.db2.gz	UYDPILZJQZLNCG-ZHHPLPSFSA-N	-1	3	412.489	5.140	50	30		HKEAHM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000104194566	560849661	/nfs/dbraw/zinc/84/96/61/560849661.db2.gz	UYDPILZJQZLNCG-ZHHPLPSFSA-N	-1	3	412.489	5.140	50	30		HKEAHM
COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(Sc3ccccc3C)cc2)c1	ZINC000170682583	569298380	/nfs/dbraw/zinc/29/83/80/569298380.db2.gz	HCOBFIAJUBIFLA-OAQYLSRUSA-N	-1	3	416.502	5.116	50	30		HKEAHM
COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(Sc3ccccc3C)cc2)c1	ZINC000170682586	569298404	/nfs/dbraw/zinc/29/84/04/569298404.db2.gz	HCOBFIAJUBIFLA-NRFANRHFSA-N	-1	3	416.502	5.116	50	30		HKEAHM
C=C(C)COc1ccc(-c2c3c[nH]nc3nc3c4ccc([O-])cc4oc32)cc1OC	ZINC000218258647	569039166	/nfs/dbraw/zinc/03/91/66/569039166.db2.gz	JHHCMANOTOMBER-UHFFFAOYSA-N	-1	3	401.422	5.193	50	30		HKEAHM
CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2c([O-])ccc3ccccc32)cc1	ZINC000244817082	569370151	/nfs/dbraw/zinc/37/01/51/569370151.db2.gz	SUBSPGYBIRDWDZ-UHFFFAOYSA-N	-1	3	402.523	5.272	50	30		HKEAHM
C[C@H]1CCCCN1Cc1c2c(ccc1[O-])C(=O)/C(=C/C1=Cc3ccccc3O[C@H]1C)O2	ZINC000245241975	569370482	/nfs/dbraw/zinc/37/04/82/569370482.db2.gz	VLNUFZKTWCXVTO-FWTKZUDYSA-N	-1	3	417.505	5.090	50	30	biogenic	HKEAHM
C[C@@H]1CCCCN1Cc1c2c(ccc1[O-])C(=O)/C(=C/C1=Cc3ccccc3O[C@H]1C)O2	ZINC000245241976	569370470	/nfs/dbraw/zinc/37/04/70/569370470.db2.gz	VLNUFZKTWCXVTO-LKPXGQAVSA-N	-1	3	417.505	5.090	50	30	biogenic	HKEAHM
[O-]c1ccc2ccccc2c1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl	ZINC000252429341	569285394	/nfs/dbraw/zinc/28/53/94/569285394.db2.gz	FIFCMKLROGAORN-UHFFFAOYSA-N	-1	3	415.305	5.282	50	30		HKEAHM
Cc1c(Cc2ccccc2)sc(N=Cc2c([O-])ccc3ccccc32)c1C(N)=O	ZINC000252461104	569286821	/nfs/dbraw/zinc/28/68/21/569286821.db2.gz	KMOCCUDACMAAFO-UHFFFAOYSA-N	-1	3	400.503	5.356	50	30		HKEAHM
[O-]c1ccccc1C=Nc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1	ZINC000252462488	569286965	/nfs/dbraw/zinc/28/69/65/569286965.db2.gz	SQJDKYRAPCNDFI-UHFFFAOYSA-N	-1	3	415.496	6.663	50	30		HKEAHM
C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CCSc1nnc(-c2ccccc2[O-])o1	ZINC000252589320	569294916	/nfs/dbraw/zinc/29/49/16/569294916.db2.gz	AITCEGBMORWMNW-DRMXPCRNSA-N	-1	3	412.599	6.723	50	30		HKEAHM
C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CCSc1nnc(-c2ccccc2[O-])o1	ZINC000252589321	569294867	/nfs/dbraw/zinc/29/48/67/569294867.db2.gz	AITCEGBMORWMNW-FPGHNAPASA-N	-1	3	412.599	6.723	50	30		HKEAHM
Cc1ccc2oc(-c3cccc(N=Cc4cc(Br)ccc4[O-])c3)nc2c1	ZINC000252589355	569294893	/nfs/dbraw/zinc/29/48/93/569294893.db2.gz	AJMYTAVISWTUIT-UHFFFAOYSA-N	-1	3	407.267	6.022	50	30		HKEAHM
Cc1ccc(-c2nc3cc(N=Cc4cc(Br)ccc4[O-])ccc3o2)cc1	ZINC000252590391	569295044	/nfs/dbraw/zinc/29/50/44/569295044.db2.gz	ASKREDZUGLOJGJ-UHFFFAOYSA-N	-1	3	407.267	6.022	50	30		HKEAHM
CCOC(=O)c1c(N=Cc2cc(Br)ccc2[O-])sc2c1CCCC2	ZINC000252592772	569296139	/nfs/dbraw/zinc/29/61/39/569296139.db2.gz	BGZUNEWFFZHVSO-UHFFFAOYSA-N	-1	3	408.317	5.022	50	30		HKEAHM
[O-]c1ccc(Cl)cc1C=Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1	ZINC000252593463	569296132	/nfs/dbraw/zinc/29/61/32/569296132.db2.gz	BJZQCBSUBXTRSC-UHFFFAOYSA-N	-1	3	417.679	6.911	50	30		HKEAHM
Cc1ccc2oc(-c3cc(N=Cc4c([O-])ccc5ccccc54)ccc3Cl)nc2c1	ZINC000252598482	569296417	/nfs/dbraw/zinc/29/64/17/569296417.db2.gz	DBQGHGAEKRRMSL-UHFFFAOYSA-N	-1	3	412.876	7.066	50	30		HKEAHM
O=c1oc2ccccc2cc1-c1csc(N=NCc2c([O-])ccc3ccccc32)n1	ZINC000252599243	569296795	/nfs/dbraw/zinc/29/67/95/569296795.db2.gz	DHHCVMVHOAVOBL-UHFFFAOYSA-N	-1	3	413.458	5.221	50	30		HKEAHM
CCOc1ccc(N=C2S/C(=C\c3cc(Cl)ccc3[O-])C(=O)N2CC)cc1	ZINC000252600203	569296832	/nfs/dbraw/zinc/29/68/32/569296832.db2.gz	DONUJMPKVCNWIX-OUCYFQBSSA-N	-1	3	402.903	5.068	50	30		HKEAHM
CCOC(=O)c1c(N=Cc2cc(Br)cc(C)c2[O-])sc2c1CCCC2	ZINC000252606818	569297521	/nfs/dbraw/zinc/29/75/21/569297521.db2.gz	GVSFMKMSQKOGML-UHFFFAOYSA-N	-1	3	422.344	5.331	50	30		HKEAHM
CCc1ccc([O-])c(N=CC2=CC(=[NH+][N-]c3cccc(Br)c3)C=CC2=O)c1	ZINC000252607660	569297670	/nfs/dbraw/zinc/29/76/70/569297670.db2.gz	HDONNSKTZIXDNM-UHFFFAOYSA-N	-1	3	424.298	6.589	50	30		HKEAHM
Cc1ccc2oc(-c3ccc(N=Cc4cccc(-c5ccccc5)c4[O-])cc3)nc2c1	ZINC000252609343	569298233	/nfs/dbraw/zinc/29/82/33/569298233.db2.gz	HRZQGPGURSBFRC-UHFFFAOYSA-N	-1	3	404.469	6.926	50	30		HKEAHM
Cc1ccc2oc(-c3ccc(N=Cc4c([O-])cc(C)c(Cl)c4C)c(C)c3)nc2c1	ZINC000252610581	569298159	/nfs/dbraw/zinc/29/81/59/569298159.db2.gz	ICWMMUTWUCVMMQ-UHFFFAOYSA-N	-1	3	404.897	6.838	50	30		HKEAHM
[O-]c1c(C=Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)ccc2ccccc21	ZINC000252611760	569300455	/nfs/dbraw/zinc/30/04/55/569300455.db2.gz	INDUKZWOSVDJGM-UHFFFAOYSA-N	-1	3	414.464	7.257	50	30		HKEAHM
CCN1C(=O)/C(=C/c2cc(Cl)ccc2[O-])SC1=Nc1cccc(Cl)c1C	ZINC000252612899	569300527	/nfs/dbraw/zinc/30/05/27/569300527.db2.gz	IWVIQXMFDFULAV-OTHHCBNDSA-N	-1	3	407.322	5.631	50	30		HKEAHM
CCN1C(=O)/C(=C\c2cc(Cl)ccc2[O-])SC1=Nc1cccc(Cl)c1C	ZINC000252612900	569300579	/nfs/dbraw/zinc/30/05/79/569300579.db2.gz	IWVIQXMFDFULAV-YNQUSLBMSA-N	-1	3	407.322	5.631	50	30		HKEAHM
COc1cc(Br)cc(C=Nc2cccc(-c3nc4ncccc4o3)c2)c1[O-]	ZINC000252615796	569301208	/nfs/dbraw/zinc/30/12/08/569301208.db2.gz	JUZHMUCBQSKXFC-UHFFFAOYSA-N	-1	3	424.254	5.117	50	30		HKEAHM
CN(C)c1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccccc3[O-])n2)cc1	ZINC000252617100	569301561	/nfs/dbraw/zinc/30/15/61/569301561.db2.gz	KMFNQTFYWBRRPX-UHFFFAOYSA-N	-1	3	409.493	5.028	50	30		HKEAHM
Cc1cc(C)cc(-c2nc3cc(N=Cc4cc(Br)ccc4[O-])ccc3o2)c1	ZINC000252617530	569301722	/nfs/dbraw/zinc/30/17/22/569301722.db2.gz	KUZIMWYRORLGOF-UHFFFAOYSA-N	-1	3	421.294	6.330	50	30		HKEAHM
[O-]c1ccc(Cc2ccccc2)cc1C=Nc1ccc2oc(-c3ccc(F)cc3)nc2c1	ZINC000252617740	569301728	/nfs/dbraw/zinc/30/17/28/569301728.db2.gz	KZEIIGANORVYOA-UHFFFAOYSA-N	-1	3	422.459	6.681	50	30		HKEAHM
Cc1ccc2nc(-c3ccc(N=Cc4cccc(-c5ccccc5)c4[O-])cc3)sc2c1	ZINC000252619128	569302743	/nfs/dbraw/zinc/30/27/43/569302743.db2.gz	LMXZVEXYZINABF-UHFFFAOYSA-N	-1	3	420.537	7.395	50	30		HKEAHM
Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1N=Cc1c([O-])ccc2ccccc21	ZINC000252620795	569307545	/nfs/dbraw/zinc/30/75/45/569307545.db2.gz	MMGJGYSZNXSKBH-UHFFFAOYSA-N	-1	3	412.876	7.066	50	30		HKEAHM
Cc1ccc2nc(-c3ccc(C)c(N=Cc4cc(Br)ccc4[O-])c3)oc2c1	ZINC000252622286	569307948	/nfs/dbraw/zinc/30/79/48/569307948.db2.gz	NRPRAKQFKHPVLB-UHFFFAOYSA-N	-1	3	421.294	6.330	50	30		HKEAHM
CN1c2ccccc2C(C)(C)[C@]12CC(c1ccc(C(=N[O-])c3ccccc3)cc1)=NO2	ZINC000252622431	569307944	/nfs/dbraw/zinc/30/79/44/569307944.db2.gz	NVCYUNMMNBNLNT-AREMUKBSSA-N	-1	3	411.505	5.162	50	30		HKEAHM
CN1c2ccccc2C(C)(C)[C@@]12CC(c1ccc(C(=N[O-])c3ccccc3)cc1)=NO2	ZINC000252622432	569307977	/nfs/dbraw/zinc/30/79/77/569307977.db2.gz	NVCYUNMMNBNLNT-SANMLTNESA-N	-1	3	411.505	5.162	50	30		HKEAHM
[O-]c1ccc(Br)cc1C=Nc1ccc(OCC(F)(F)C(F)F)cc1	ZINC000252622564	569307998	/nfs/dbraw/zinc/30/79/98/569307998.db2.gz	NYDJDWTXVLHYDB-UHFFFAOYSA-N	-1	3	406.173	5.185	50	30		HKEAHM
Cc1cccc(C(=O)Nc2ccc(N=Cc3cc(Br)ccc3[O-])cc2)c1	ZINC000252623013	569308074	/nfs/dbraw/zinc/30/80/74/569308074.db2.gz	OHYDWUFHUGFITJ-UHFFFAOYSA-N	-1	3	409.283	5.466	50	30		HKEAHM
CCN(CC)c1ccc(C=Nc2c(C)c3ccc(N(CC)CC)cc3oc2=O)c([O-])c1	ZINC000252624155	569309534	/nfs/dbraw/zinc/30/95/34/569309534.db2.gz	PHPINWQYWMMFJS-UHFFFAOYSA-N	-1	3	421.541	5.250	50	30		HKEAHM
C=CCc1cccc(C=Nc2nc(-c3cc4cc(OC)ccc4oc3=O)cs2)c1[O-]	ZINC000252625385	569310319	/nfs/dbraw/zinc/31/03/19/569310319.db2.gz	QIZNIBCKKWARSJ-UHFFFAOYSA-N	-1	3	418.474	5.110	50	30		HKEAHM
COc1ccc(-c2nc3cc(N=Cc4cc(Br)ccc4[O-])ccc3o2)cc1	ZINC000252626195	569310548	/nfs/dbraw/zinc/31/05/48/569310548.db2.gz	QYDCSEFSZADARP-UHFFFAOYSA-N	-1	3	423.266	5.722	50	30		HKEAHM
Cc1ccc2oc(-c3cccc(N=Cc4cc(Br)ccc4[O-])c3C)nc2c1	ZINC000252626324	569310624	/nfs/dbraw/zinc/31/06/24/569310624.db2.gz	RANLLDUTEGYXFD-UHFFFAOYSA-N	-1	3	421.294	6.330	50	30		HKEAHM
[O-]c1ccc2ccccc2c1C=Nc1ccc(-c2cnc(-c3ccccc3)nc2)cc1	ZINC000252627258	569310827	/nfs/dbraw/zinc/31/08/27/569310827.db2.gz	RPZVZDGZIMFSLO-UHFFFAOYSA-N	-1	3	401.469	6.420	50	30		HKEAHM
CCCCCCn1c2ccccc2nc1N=Cc1c2c(ccc1[O-])oc1c2CCCC1	ZINC000252627420	569310834	/nfs/dbraw/zinc/31/08/34/569310834.db2.gz	RTRFYPABSIIFKF-UHFFFAOYSA-N	-1	3	415.537	6.698	50	30		HKEAHM
[O-]c1ccc(Br)cc1C=Nc1nc2ccccc2n1Cc1ccccc1	ZINC000252628820	569311461	/nfs/dbraw/zinc/31/14/61/569311461.db2.gz	SYNNWQDWUMKWPZ-UHFFFAOYSA-N	-1	3	406.283	5.303	50	30		HKEAHM
COc1cc(-c2nc3ccccn3c2N=Cc2cccc(Cl)c2Cl)ccc1[O-]	ZINC000252629378	569311398	/nfs/dbraw/zinc/31/13/98/569311398.db2.gz	UESBTQNHTUZTQA-UHFFFAOYSA-N	-1	3	412.276	5.773	50	30		HKEAHM
Cc1ccc2oc(-c3cccc(N=Cc4c([O-])cc(C)c(Cl)c4C)c3C)nc2c1	ZINC000252630082	569311512	/nfs/dbraw/zinc/31/15/12/569311512.db2.gz	UUDLGOQNWBTCNN-UHFFFAOYSA-N	-1	3	404.897	6.838	50	30		HKEAHM
Cc1cccc(-c2nc3cc(N=Cc4cc(Br)ccc4[O-])ccc3o2)c1	ZINC000252631984	569313395	/nfs/dbraw/zinc/31/33/95/569313395.db2.gz	VNQZSYPAANWQTH-UHFFFAOYSA-N	-1	3	407.267	6.022	50	30		HKEAHM
COc1cc(Br)c(Br)c(C=Nc2cc(C)ccc2C)c1[O-]	ZINC000252632397	569313553	/nfs/dbraw/zinc/31/35/53/569313553.db2.gz	VSORLVJBKDCPFK-UHFFFAOYSA-N	-1	3	413.109	5.293	50	30		HKEAHM
CCCOc1ccc(C(CCCCC(=NO)c2ccc(OCCC)cc2)=N[O-])cc1	ZINC000252632444	569313534	/nfs/dbraw/zinc/31/35/34/569313534.db2.gz	VTONGVXQWPLKTA-UHFFFAOYSA-N	-1	3	412.530	5.881	50	30		HKEAHM
[O-]c1ccc(Br)cc1C=Nc1ccc2oc(-c3ccc(F)cc3)nc2c1	ZINC000252633322	569314295	/nfs/dbraw/zinc/31/42/95/569314295.db2.gz	WCFMSLCDPWQYFB-UHFFFAOYSA-N	-1	3	411.230	5.853	50	30		HKEAHM
[O-]c1ccc(Cc2ccccc2)cc1C=Nc1ccc2oc(-c3ccccc3)nc2c1	ZINC000252633885	569315457	/nfs/dbraw/zinc/31/54/57/569315457.db2.gz	WIFLIZQTUVLDJW-UHFFFAOYSA-N	-1	3	404.469	6.542	50	30		HKEAHM
[O-]c1ccc(Br)cc1C=Nc1ccc2oc(-c3ccccc3F)nc2c1	ZINC000252635765	569317238	/nfs/dbraw/zinc/31/72/38/569317238.db2.gz	XAVDPSODIZHWJR-UHFFFAOYSA-N	-1	3	411.230	5.853	50	30		HKEAHM
COc1cc(Br)c(Br)c(C=Nc2ccc(Cl)cc2)c1[O-]	ZINC000252636886	569317379	/nfs/dbraw/zinc/31/73/79/569317379.db2.gz	XMWUTNNPFFQLSG-UHFFFAOYSA-N	-1	3	419.500	5.330	50	30		HKEAHM
Cc1cc(-c2ccc(N=Cc3cccc(O)c3)c(C)c2)ccc1N=Cc1cccc([O-])c1	ZINC000252638150	569317497	/nfs/dbraw/zinc/31/74/97/569317497.db2.gz	XZSNDZJWOSCDED-UHFFFAOYSA-N	-1	3	420.512	6.883	50	30		HKEAHM
COc1cc(Br)c(Br)c(C=Nc2ccccc2Cl)c1[O-]	ZINC000252638717	569317507	/nfs/dbraw/zinc/31/75/07/569317507.db2.gz	YEWBQDCCTXKYHE-UHFFFAOYSA-N	-1	3	419.500	5.330	50	30		HKEAHM
CCCCCn1c2ccccc2nc1N=Cc1c2c(ccc1[O-])oc1c2CCCC1	ZINC000252638908	569317622	/nfs/dbraw/zinc/31/76/22/569317622.db2.gz	YHBWHZUJURZQSX-UHFFFAOYSA-N	-1	3	401.510	6.308	50	30		HKEAHM
COc1cc(Br)cc(C=Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1[O-]	ZINC000252640672	569317781	/nfs/dbraw/zinc/31/77/81/569317781.db2.gz	YWHIPHBTLAMVON-UHFFFAOYSA-N	-1	3	422.282	5.457	50	30		HKEAHM
[O-]c1ccc(N=C/C=C\c2ccc3c(c2)OCO3)cc1-c1nc2ccccc2s1	ZINC000252641785	569318798	/nfs/dbraw/zinc/31/87/98/569318798.db2.gz	ZFIICEYWTYWDGL-IXDWOPQXSA-N	-1	3	400.459	5.813	50	30		HKEAHM
[O-]c1ccc(N=C/C=C/c2ccc3c(c2)OCO3)cc1-c1nc2ccccc2s1	ZINC000252641786	569318770	/nfs/dbraw/zinc/31/87/70/569318770.db2.gz	ZFIICEYWTYWDGL-QNYCDBRESA-N	-1	3	400.459	5.813	50	30		HKEAHM
CCOC(=O)c1c(-c2cccs2)csc1N=Cc1c([O-])ccc2ccccc21	ZINC000252642705	569318820	/nfs/dbraw/zinc/31/88/20/569318820.db2.gz	ZOMIMUZDMGRQBH-UHFFFAOYSA-N	-1	3	407.516	6.263	50	30		HKEAHM