smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2cccc(Oc3ccccc3)c2)cc1	ZINC000012465166	519009452	/nfs/dbraw/zinc/00/94/52/519009452.db2.gz	SDATYLAYECXQEA-ONUIUJJFSA-N	-1	0	428.561	6.580	40	30		IKEBRM
CCCCCCCCCCCCCCCc1cc(=O)n(-c2nc3ccc(N)cc3s2)[n-]1	ZINC000104140608	519990674	/nfs/dbraw/zinc/99/06/74/519990674.db2.gz	HNRCSLGXODUIDY-UHFFFAOYSA-N	-1	0	442.673	7.453	40	30		IKEBRM
CCCCCCCCOc1ccc(/C=C2/SC(=S)N([C@H](CCC)C(=O)[O-])C2=O)cc1	ZINC000101014805	520043903	/nfs/dbraw/zinc/04/39/03/520043903.db2.gz	UUJHKKOKSMAUKB-MPSQLMGGSA-N	-1	0	449.638	5.880	40	30		IKEBRM
COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cccc5ccccc54)nc3c2)c1[O-]	ZINC000016194969	522973587	/nfs/dbraw/zinc/97/35/87/522973587.db2.gz	MMKNEGWWHJENRT-VULFUBBASA-N	-1	0	439.427	6.021	40	30		IKEBRM
O=S(=O)([N-]/N=C/c1ccc(Cl)cc1Cl)c1cc(Cl)c(Cl)cc1Cl	ZINC000001657194	555708148	/nfs/dbraw/zinc/70/81/48/555708148.db2.gz	DWTDAHZAAFLAKG-KPSZGOFPSA-N	-1	0	432.543	5.266	40	30		IKEBRM
COc1cc(C=Nn2c(=S)[n-]nc2C(C)C)ccc1OCc1c(F)cccc1Cl	ZINC000001807366	555717595	/nfs/dbraw/zinc/71/75/95/555717595.db2.gz	TWVAZBYEPPHGJF-AUEPDCJTSA-N	-1	0	434.924	5.326	40	30		IKEBRM
Cc1ccc(/N=C\c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)c(Br)c1	ZINC000408544177	555791234	/nfs/dbraw/zinc/79/12/34/555791234.db2.gz	VLHYVBNPZAZERZ-MYKKPKGFSA-N	-1	0	437.293	5.802	40	30		IKEBRM
COc1cc(/C=N/c2ccc(C(c3ccc(C)o3)c3ccc(C)o3)cc2)c([O-])c([N+](=O)[O-])c1	ZINC000004280957	555982435	/nfs/dbraw/zinc/98/24/35/555982435.db2.gz	DMDMUZSVRNFSGM-VULFUBBASA-N	-1	0	446.459	6.043	40	30		IKEBRM
Cc1cc(/C=N/c2ccc(Cl)c(C(=O)[O-])c2)c(C)n1-c1ccc(-c2ccccc2)cc1	ZINC000006177815	556079589	/nfs/dbraw/zinc/07/95/89/556079589.db2.gz	YYMIMPJRVUEAAN-LQKURTRISA-N	-1	0	428.919	6.863	40	30		IKEBRM
Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)S1	ZINC000408738211	556200002	/nfs/dbraw/zinc/20/00/02/556200002.db2.gz	JETQIKUAZYPMDY-ODLFYWEKSA-N	-1	0	438.892	5.498	40	30		IKEBRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(C=NNc2ccccc2I)o1	ZINC000009262031	556269276	/nfs/dbraw/zinc/26/92/76/556269276.db2.gz	HNQGPRXQQLRAOF-SRZZPIQSSA-N	-1	0	446.244	5.004	40	30		IKEBRM
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1cc(Cl)c([O-])c(Br)c1	ZINC000009323671	556281449	/nfs/dbraw/zinc/28/14/49/556281449.db2.gz	DOKHPVQVRWUBOO-CGOBSMCZSA-N	-1	0	438.587	5.181	40	30		IKEBRM
COc1cc(/C=N\c2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000408858532	556447616	/nfs/dbraw/zinc/44/76/16/556447616.db2.gz	SVDNSIYQYSOKBE-ROTLSHHCSA-N	-1	0	430.287	6.030	40	30		IKEBRM
CC[C@@H](C)N1C(=O)/C(=C\c2cc(OC)c([O-])c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1	ZINC000408913348	556499327	/nfs/dbraw/zinc/49/93/27/556499327.db2.gz	QBYXIXJLFCBHBY-WHMJDIIHSA-N	-1	0	441.509	5.020	40	30		IKEBRM
COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000408915007	556500341	/nfs/dbraw/zinc/50/03/41/556500341.db2.gz	SYJIKFFZSPNQKW-UHFFFAOYSA-N	-1	0	448.858	5.088	40	30		IKEBRM
Cc1cc(/C=N/c2ccc(-c3cc4ccccc4o3)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408915487	556500387	/nfs/dbraw/zinc/50/03/87/556500387.db2.gz	WEPIHEMOPQTIFS-OCSSWDANSA-N	-1	0	448.522	7.265	40	30		IKEBRM
Cc1cc(/C=N/c2ccc(C3CCCCC3)cc2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408933581	556527795	/nfs/dbraw/zinc/52/77/95/556527795.db2.gz	BKNFMBXIGXRUOA-LQKURTRISA-N	-1	0	434.967	7.244	40	30		IKEBRM
Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1[O-]	ZINC000032114812	556531171	/nfs/dbraw/zinc/53/11/71/556531171.db2.gz	PRJSIHAJRKCVJK-YCPBAFNGSA-N	-1	0	443.793	6.099	40	30		IKEBRM
[O-]c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1Br	ZINC000408945941	556546440	/nfs/dbraw/zinc/54/64/40/556546440.db2.gz	XSLBOQDZPZXFRQ-JDTUQCDQSA-N	-1	0	445.360	6.732	40	30		IKEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N\c2ccc(I)cc2)o1	ZINC000408960415	556563119	/nfs/dbraw/zinc/56/31/19/556563119.db2.gz	FQFAVILAVJHGTK-NHDPSOOVSA-N	-1	0	431.229	5.308	40	30		IKEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)o1	ZINC000408962302	556564976	/nfs/dbraw/zinc/56/49/76/556564976.db2.gz	YJIXIPYPQKRGAX-OCSSWDANSA-N	-1	0	439.555	7.172	40	30		IKEBRM
Cc1ccccc1N=C1NC(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)S1	ZINC000408961901	556565937	/nfs/dbraw/zinc/56/59/37/556565937.db2.gz	VJLONHLVZUWGSA-HMAPJEAMSA-N	-1	0	444.512	5.164	40	30		IKEBRM
COc1cc(/C=N/c2ccc(-c3ccccc3)cc2)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000408967491	556576366	/nfs/dbraw/zinc/57/63/66/556576366.db2.gz	SMCZFGXYFKOEAW-RDRPBHBLSA-N	-1	0	437.495	6.390	40	30		IKEBRM
Cc1cc(/N=C/c2cc(Cl)cc(Br)c2[O-])ccc1NC(=O)c1ccco1	ZINC000016282699	556596813	/nfs/dbraw/zinc/59/68/13/556596813.db2.gz	JDEHPFUTJPDYQZ-LSHDLFTRSA-N	-1	0	433.689	5.712	40	30		IKEBRM
O=C(NC1CCCCC1)c1c(/N=C\c2cc([N+](=O)[O-])ccc2[O-])sc2c1CCCC2	ZINC000016385659	556604223	/nfs/dbraw/zinc/60/42/23/556604223.db2.gz	JUEDOQUYRKQPSB-QRVIBDJDSA-N	-1	0	427.526	5.054	40	30		IKEBRM
[O-]c1c(Br)cc(Cl)cc1/C=N/c1ccc(N2CCOCC2)c(Cl)c1	ZINC000016384301	556604259	/nfs/dbraw/zinc/60/42/59/556604259.db2.gz	FSGZUFKEDFYESU-UFFVCSGVSA-N	-1	0	430.129	5.049	40	30		IKEBRM
O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(N3CCCCC3)c(Cl)c2)c1[O-]	ZINC000016384307	556604330	/nfs/dbraw/zinc/60/43/30/556604330.db2.gz	HYDOAAOKRBPHHW-SRZZPIQSSA-N	-1	0	438.709	5.457	40	30		IKEBRM
O=C(Nc1cccc(/N=C/c2cccc([N+](=O)[O-])c2[O-])c1)c1ccccc1Br	ZINC000016449353	556608922	/nfs/dbraw/zinc/60/89/22/556608922.db2.gz	KLVMKARCEKLNGH-WSDLNYQXSA-N	-1	0	440.253	5.066	40	30		IKEBRM
O=C([O-])CC(=NNc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1Oc1ccccc1	ZINC000016490923	556612319	/nfs/dbraw/zinc/61/23/19/556612319.db2.gz	UVCWEBYBJAWYSB-HAVVHWLPSA-N	-1	0	425.828	5.331	40	30		IKEBRM
[O-]c1c(Cl)cc(Cl)cc1/C=N\c1cc(C(F)(F)F)ccc1NCc1ccccc1	ZINC000017125933	556668926	/nfs/dbraw/zinc/66/89/26/556668926.db2.gz	LJFCTAIRZSFJMR-NVJOKUIPSA-N	-1	0	439.264	7.081	40	30		IKEBRM
Cc1ccc2oc(-c3cc(/N=C\c4ccc(OCc5ccccc5)cc4)ccc3[O-])nc2c1	ZINC000018097027	556683828	/nfs/dbraw/zinc/68/38/28/556683828.db2.gz	PQDNFSRPUPGFFE-RHANQZHGSA-N	-1	0	434.495	6.838	40	30		IKEBRM
COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])ccc1OCc1cccc(F)c1	ZINC000135751682	556719825	/nfs/dbraw/zinc/71/98/25/556719825.db2.gz	FTPXLSCKJZDFHU-YEWWOHFJSA-N	-1	0	440.521	5.288	40	30		IKEBRM
CCc1nnc(C2=C([O-])C(=Cc3ccc(OCc4cccc(C)c4)cc3)SC2=N)s1	ZINC000136015071	556721448	/nfs/dbraw/zinc/72/14/48/556721448.db2.gz	ZLBKWVKIKPLISO-GHWCWRRZSA-N	-1	0	435.574	5.406	40	30		IKEBRM
N=C1SC(=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)C([O-])=C1c1nccs1	ZINC000137022426	556723066	/nfs/dbraw/zinc/72/30/66/556723066.db2.gz	NLLSUPGNVUWQJE-BBBSXOBRSA-N	-1	0	437.502	5.048	40	30		IKEBRM
[O-]c1c(I)cc(Br)cc1/C=N/c1ccc(Cl)cc1	ZINC000000861849	556723101	/nfs/dbraw/zinc/72/31/01/556723101.db2.gz	CZAUDFNZIIGYPX-REZTVBANSA-N	-1	0	436.474	5.163	40	30		IKEBRM
N=C1SC(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C([O-])=C1c1nccs1	ZINC000137237023	556723441	/nfs/dbraw/zinc/72/34/41/556723441.db2.gz	SNIYITLQLFPRSF-LVRGXITISA-N	-1	0	431.882	5.383	40	30		IKEBRM
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)o2)c1	ZINC000409030042	556728327	/nfs/dbraw/zinc/72/83/27/556728327.db2.gz	BWLBVXIMHOZFII-UMDHDWCXSA-N	-1	0	432.679	5.012	40	30		IKEBRM
CN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)c([O-])c(Cl)c2)C2=C1CC(C)(C)CC2=O	ZINC000409036416	556746964	/nfs/dbraw/zinc/74/69/64/556746964.db2.gz	RHBKQZSKXJHTBK-UHFFFAOYSA-N	-1	0	448.390	6.014	40	30		IKEBRM
CC(C)COc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccc(C(=O)[O-])cc2)N(C)C1=O	ZINC000409056197	556759258	/nfs/dbraw/zinc/75/92/58/556759258.db2.gz	NCJQBYJQNFFORC-MSBDOUPJSA-N	-1	0	444.940	5.307	40	30		IKEBRM
CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)sc2C1	ZINC000409080358	556789485	/nfs/dbraw/zinc/78/94/85/556789485.db2.gz	NHJGQKUJPMRPOB-HDFIIFABSA-N	-1	0	432.545	6.480	40	30		IKEBRM
CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)sc2C1	ZINC000409084812	556790052	/nfs/dbraw/zinc/79/00/52/556790052.db2.gz	QODRBJVCZVIEKG-MAFAOTQISA-N	-1	0	432.545	6.480	40	30		IKEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)o1	ZINC000409086089	556790622	/nfs/dbraw/zinc/79/06/22/556790622.db2.gz	QCSJYRYFFFAHHG-GRJIBALVSA-N	-1	0	446.572	6.788	40	30		IKEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1	ZINC000409098545	556795331	/nfs/dbraw/zinc/79/53/31/556795331.db2.gz	QIBLGMNFRGLVNA-YSURURNPSA-N	-1	0	433.342	5.326	40	30		IKEBRM
COc1cccc(Oc2ccc(/N=C/c3cc([N+](=O)[O-])cc(Br)c3[O-])cc2)c1	ZINC000409108557	556800979	/nfs/dbraw/zinc/80/09/79/556800979.db2.gz	VFGLCLBTEWHZRM-WSDLNYQXSA-N	-1	0	443.253	5.614	40	30		IKEBRM
Cc1ccc2oc(-c3ccc(C)c(/N=C/c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4[O-])c3)nc2c1	ZINC000003191000	556804021	/nfs/dbraw/zinc/80/40/21/556804021.db2.gz	FHWZFSWLLWFYEV-FOKLQQMPSA-N	-1	0	432.392	5.384	40	30		IKEBRM
Oc1ccc(Br)cc1/C=N/c1ccccc1/N=C/c1c(O)ccc2ccccc21	ZINC000008402140	556841201	/nfs/dbraw/zinc/84/12/01/556841201.db2.gz	OGXFNOMCIFLQRW-CIOBDNPFSA-N	-1	0	445.316	6.515	40	30		IKEBRM
O=C([O-])c1ccc(COc2ccccc2/C=N/c2ccc(Br)c(Cl)c2)cc1	ZINC000408850758	556870647	/nfs/dbraw/zinc/87/06/47/556870647.db2.gz	DVDQVBBIDPSDPP-WYMPLXKRSA-N	-1	0	444.712	6.130	40	30		IKEBRM
Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408855055	556871937	/nfs/dbraw/zinc/87/19/37/556871937.db2.gz	CVOQXTXISJNRTK-AUEPDCJTSA-N	-1	0	432.263	5.758	40	30		IKEBRM
Cc1cc(/C=N/c2ccc(Br)c(C)c2)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408911991	556888723	/nfs/dbraw/zinc/88/87/23/556888723.db2.gz	PGVUILWFDKYWKE-WYMPLXKRSA-N	-1	0	425.326	5.922	40	30		IKEBRM
CCCCN1C(=O)/C(=C\c2cc(OC)c([O-])c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1	ZINC000408915437	556890281	/nfs/dbraw/zinc/89/02/81/556890281.db2.gz	YKDMNUQNUAMBHR-NMSSZPRHSA-N	-1	0	441.509	5.022	40	30		IKEBRM
COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc([N+](=O)[O-])c1[O-]	ZINC000408938676	556897135	/nfs/dbraw/zinc/89/71/35/556897135.db2.gz	RCBYDLLMIQRFFW-BGXAXVOZSA-N	-1	0	441.487	5.886	40	30		IKEBRM
CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)S2)cc1	ZINC000408955345	556899280	/nfs/dbraw/zinc/89/92/80/556899280.db2.gz	WYEQPDZRJRAYAC-FYJGNVAPSA-N	-1	0	448.500	5.244	40	30		IKEBRM
Cc1cc(/N=C\c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)ccc1I	ZINC000408960975	556900730	/nfs/dbraw/zinc/90/07/30/556900730.db2.gz	KQXIRVJEOLTNQR-JJFYIABZSA-N	-1	0	445.256	5.617	40	30		IKEBRM
COc1cc(/C=N\c2cccc(Cl)c2Cl)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000408966106	556900732	/nfs/dbraw/zinc/90/07/32/556900732.db2.gz	LHQANVNCOSXKLK-ROTLSHHCSA-N	-1	0	430.287	6.030	40	30		IKEBRM
CCN(CC)c1ccc(/N=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)cc1	ZINC000408968296	556903661	/nfs/dbraw/zinc/90/36/61/556903661.db2.gz	YAJSPIKKPRRONE-WPWMEQJKSA-N	-1	0	432.520	5.569	40	30		IKEBRM
O=C([O-])c1cc(-c2ccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)o2)ccc1Cl	ZINC000409040282	556928952	/nfs/dbraw/zinc/92/89/52/556928952.db2.gz	YEGPDZDPWSJURP-GFXGDVFHSA-N	-1	0	432.679	5.012	40	30		IKEBRM
O=C([O-])c1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OCc1ccccc1	ZINC000409058050	556935211	/nfs/dbraw/zinc/93/52/11/556935211.db2.gz	QVHYGQRCPVDQBC-UHFFFAOYSA-N	-1	0	444.483	5.092	40	30		IKEBRM
CCOc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)c2ccccc12	ZINC000409059411	556936450	/nfs/dbraw/zinc/93/64/50/556936450.db2.gz	XDRRNVRQXYCBLK-MDIFQPDJSA-N	-1	0	432.501	5.171	40	30		IKEBRM
O=C([O-])c1ccc(COc2c(Cl)cc(Cl)cc2/C=N/c2ccc([N+](=O)[O-])cc2)cc1	ZINC000409070806	556944970	/nfs/dbraw/zinc/94/49/70/556944970.db2.gz	ZILADJRVZNYZBC-BHGWPJFGSA-N	-1	0	445.258	5.929	40	30		IKEBRM
CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(-c4ccccc4C(=O)[O-])o3)sc2C1	ZINC000409080462	556947214	/nfs/dbraw/zinc/94/72/14/556947214.db2.gz	DLMOULYCJSAQDE-PJAVDKHJSA-N	-1	0	432.545	6.480	40	30		IKEBRM
COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(Br)c1[O-]	ZINC000409090263	556951653	/nfs/dbraw/zinc/95/16/53/556951653.db2.gz	LUXDHQRXXABAAS-DKZNWEEVSA-N	-1	0	447.398	5.998	40	30		IKEBRM
CSc1ccccc1/N=C/c1cc(Br)cc(I)c1[O-]	ZINC000409104274	556952865	/nfs/dbraw/zinc/95/28/65/556952865.db2.gz	HDDJSBJWCHCDJT-CAOOACKPSA-N	-1	0	448.123	5.232	40	30		IKEBRM
COc1ccccc1Oc1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])cc1	ZINC000409107712	556959344	/nfs/dbraw/zinc/95/93/44/556959344.db2.gz	QDJVWOFCRLZKFT-WSDLNYQXSA-N	-1	0	443.253	5.614	40	30		IKEBRM
COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(OCc3ccccc3)c(OC)c2)cc1	ZINC000013940973	556975053	/nfs/dbraw/zinc/97/50/53/556975053.db2.gz	UKHMSCAXIQKJQL-MYYYXRDXSA-N	-1	0	446.532	5.086	40	30		IKEBRM
CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)S/C1=N/c1ccccc1	ZINC000409158188	556977680	/nfs/dbraw/zinc/97/76/80/556977680.db2.gz	NVOWQYOPFRMDOE-DBPHPPTCSA-N	-1	0	438.892	5.532	40	30		IKEBRM
CCc1ccccc1/N=C1/S/C(=C/c2ccc(-c3ccccc3C(=O)[O-])o2)C(=O)N1C	ZINC000409167908	556981034	/nfs/dbraw/zinc/98/10/34/556981034.db2.gz	KEHMMVFCPWXUEL-JEBQXDLDSA-N	-1	0	432.501	5.441	40	30		IKEBRM
COc1ccc(/N=C/c2cccc(OC)c2OCc2ccc(C(=O)[O-])cc2)cc1Cl	ZINC000409188090	556988417	/nfs/dbraw/zinc/98/84/17/556988417.db2.gz	WXZVDPZVAIHNQU-DHRITJCHSA-N	-1	0	425.868	5.385	40	30		IKEBRM
CCOc1cc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OCC(=O)[O-]	ZINC000409209591	557003829	/nfs/dbraw/zinc/00/38/29/557003829.db2.gz	GQVVAMQJHFBFSR-REWBEUJESA-N	-1	0	440.565	5.383	40	30		IKEBRM
[O-]c1c(Br)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Br	ZINC000409211341	557005877	/nfs/dbraw/zinc/00/58/77/557005877.db2.gz	ITZYTVQPOTVWGB-WSDLNYQXSA-N	-1	0	447.126	6.460	40	30		IKEBRM
CC(C)/N=C1\S/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)C(=O)N1C(C)C	ZINC000409216174	557010897	/nfs/dbraw/zinc/01/08/97/557010897.db2.gz	FWVPDHRUWNOSEM-XHFTXJRRSA-N	-1	0	438.549	5.053	40	30		IKEBRM
Cc1ccc(/N=C/c2cc(Br)c(OCC(=O)[O-])c(Br)c2)cc1C	ZINC000409216281	557011241	/nfs/dbraw/zinc/01/12/41/557011241.db2.gz	JQIPKQUMHQBRCF-DNTJNYDQSA-N	-1	0	441.119	5.042	40	30		IKEBRM
Cc1ccc(-n2nc(C(=O)[O-])c(/C=C\c3ccc(C(C)C)cc3)c(C#N)c2=O)cc1Cl	ZINC000409197307	557011838	/nfs/dbraw/zinc/01/18/38/557011838.db2.gz	BARPPIWYKVVLJV-XFFZJAGNSA-N	-1	0	433.895	5.058	40	30		IKEBRM
Cc1ccc(/N=C/c2cc(Br)cc(Br)c2OCC(=O)[O-])cc1C	ZINC000409217319	557012305	/nfs/dbraw/zinc/01/23/05/557012305.db2.gz	OZNVTZYDMPRYMK-DNTJNYDQSA-N	-1	0	441.119	5.042	40	30		IKEBRM
Cc1ccc(C)c(/N=C/c2cc(Br)c(OCC(=O)[O-])c(Br)c2)c1	ZINC000409199456	557013199	/nfs/dbraw/zinc/01/31/99/557013199.db2.gz	DKGIVHRWGPOPOK-DNTJNYDQSA-N	-1	0	441.119	5.042	40	30		IKEBRM
CCOC(=O)c1cc(-c2ccc(C=NNc3ccc(Cl)c(C(=O)[O-])c3)o2)ccc1Cl	ZINC000409202143	557014695	/nfs/dbraw/zinc/01/46/95/557014695.db2.gz	PINVRNIMKNUDGJ-BHGWPJFGSA-N	-1	0	447.274	5.574	40	30		IKEBRM
COCc1c(C#N)c(=O)[n-]c(C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c1[N+](=O)[O-]	ZINC000409206825	557016444	/nfs/dbraw/zinc/01/64/44/557016444.db2.gz	QGXSNKHMOGUDQO-ZZXKWVIFSA-N	-1	0	446.246	5.451	40	30		IKEBRM
O=C([O-])c1cc(NN=Cc2cn(CCOc3ccccc3)c3ccccc23)ccc1Cl	ZINC000409210420	557022099	/nfs/dbraw/zinc/02/20/99/557022099.db2.gz	IMWYBUBDPBYSSC-YSMPRRRNSA-N	-1	0	433.895	5.518	40	30		IKEBRM
CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409211135	557023314	/nfs/dbraw/zinc/02/33/14/557023314.db2.gz	MXWAFUUPKVLPLY-VULFUBBASA-N	-1	0	439.895	5.775	40	30		IKEBRM
CC(C)/N=C1\S/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)C(=O)N1C(C)C	ZINC000409212005	557025570	/nfs/dbraw/zinc/02/55/70/557025570.db2.gz	PCQQKTQVTQAHCA-XHFTXJRRSA-N	-1	0	438.549	5.053	40	30		IKEBRM
CCc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)cc1	ZINC000409214747	557029494	/nfs/dbraw/zinc/02/94/94/557029494.db2.gz	UATHCYUWVCGBKF-AFUMVMLFSA-N	-1	0	438.321	6.039	40	30		IKEBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(N=Nc4ccccc4)cc3)C2=O)cc1	ZINC000408528413	557031255	/nfs/dbraw/zinc/03/12/55/557031255.db2.gz	BDSCSDSCOXLEBH-SSRKWXPQSA-N	-1	0	425.448	5.012	40	30		IKEBRM
CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Br)c1OCC(=O)[O-]	ZINC000409216678	557031360	/nfs/dbraw/zinc/03/13/60/557031360.db2.gz	NUPUEKDOHZFZDM-ZVBGSRNCSA-N	-1	0	426.694	5.024	40	30		IKEBRM
COc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)cc1	ZINC000409219030	557033057	/nfs/dbraw/zinc/03/30/57/557033057.db2.gz	ZWZQVIUXTRECPE-DHRITJCHSA-N	-1	0	425.868	5.385	40	30		IKEBRM
Cc1cc(/N=C/c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)ccc1Br	ZINC000408542264	557033712	/nfs/dbraw/zinc/03/37/12/557033712.db2.gz	KFIPUYQJIOALRU-BHGWPJFGSA-N	-1	0	437.293	5.802	40	30		IKEBRM
O=C([O-])c1cc(NN=Cc2ccc(OCc3c(F)cccc3Cl)cc2)ccc1Cl	ZINC000408603516	557068904	/nfs/dbraw/zinc/06/89/04/557068904.db2.gz	RLIJVOMNGMKRIM-GATIEOLUSA-N	-1	0	433.266	5.856	40	30		IKEBRM
C=CCn1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])c2ccccc21	ZINC000408632409	557073562	/nfs/dbraw/zinc/07/35/62/557073562.db2.gz	FPXVHTOXGCXRAM-UNOMPAQXSA-N	-1	0	437.908	5.749	40	30		IKEBRM
COc1cccc(/C=N/c2ccc(Oc3ccccc3Cl)cc2)c1O[C@H](C)C(=O)[O-]	ZINC000409248803	557080573	/nfs/dbraw/zinc/08/05/73/557080573.db2.gz	QWDOHUHRNHPTQS-PVLQNKMRSA-N	-1	0	425.868	5.743	40	30		IKEBRM
N#Cc1ccc(COc2ccc(/C=C(\Sc3nc4ccccc4[nH]3)C(=O)[O-])cc2)cc1	ZINC000408633895	557082363	/nfs/dbraw/zinc/08/23/63/557082363.db2.gz	MWVATKJKBQLGBU-XKZIYDEJSA-N	-1	0	427.485	5.231	40	30		IKEBRM
Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccc(Cl)c(C(=O)[O-])c3)c2)cc1C	ZINC000409383560	557091801	/nfs/dbraw/zinc/09/18/01/557091801.db2.gz	WYOCHRDWHYJBOI-ZMFRSBBQSA-N	-1	0	436.895	5.423	40	30		IKEBRM
Cc1cc(/C=N/c2cc(Cl)ccc2C)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000409384718	557092171	/nfs/dbraw/zinc/09/21/71/557092171.db2.gz	CWFFSIAECXCXRP-BRJLIKDPSA-N	-1	0	426.969	6.445	40	30		IKEBRM
CCCCCCCCCCCC(=O)Nc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1	ZINC000408668862	557094517	/nfs/dbraw/zinc/09/45/17/557094517.db2.gz	FNOJMEXPYKRFMC-UHFFFAOYSA-N	-1	0	438.568	6.497	40	30		IKEBRM
O=C1NC(=Nc2cccc(Br)c2)S/C1=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000408742919	557150679	/nfs/dbraw/zinc/15/06/79/557150679.db2.gz	UCSHEFULNOPKDU-ACAGNQJTSA-N	-1	0	444.137	5.353	40	30		IKEBRM
Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)S2)cc1	ZINC000408751967	557160387	/nfs/dbraw/zinc/16/03/87/557160387.db2.gz	AUCFAWOUMSWIMA-ODLFYWEKSA-N	-1	0	438.892	5.498	40	30		IKEBRM
CCOc1cc(Cl)cc(/C=N/c2cc(Br)c([O-])c(Br)c2)c1O	ZINC000038182143	557224283	/nfs/dbraw/zinc/22/42/83/557224283.db2.gz	NNAWIAQFMZYDMC-FBCYGCLPSA-N	-1	0	449.526	5.426	40	30		IKEBRM
CCCCCCCCOc1ccc(/C=C2/SC(=S)N([C@@H](CCC)C(=O)[O-])C2=O)cc1	ZINC000101014803	557281398	/nfs/dbraw/zinc/28/13/98/557281398.db2.gz	UUJHKKOKSMAUKB-YTVAGWOFSA-N	-1	0	449.638	5.880	40	30		IKEBRM
CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@@]1(C)OC(=O)C(O)=C1[O-]	ZINC000101109028	557283214	/nfs/dbraw/zinc/28/32/14/557283214.db2.gz	WIURPIWWJPTTRG-FDDCHVKYSA-N	-1	0	428.566	5.015	40	30		IKEBRM
CCCCCCCCCCCCCCCCCCNC(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000104323236	557325176	/nfs/dbraw/zinc/32/51/76/557325176.db2.gz	CWFMFRSUSWVXKN-QHCPKHFHSA-N	-1	0	426.686	7.046	40	30		IKEBRM
CCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccccc1C(=O)[O-]	ZINC000104376652	557326031	/nfs/dbraw/zinc/32/60/31/557326031.db2.gz	LEFJLOCEHZNTCR-SZXQPVLSSA-N	-1	0	447.689	6.664	40	30		IKEBRM
CCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccccc1C(=O)[O-]	ZINC000104376649	557326172	/nfs/dbraw/zinc/32/61/72/557326172.db2.gz	LEFJLOCEHZNTCR-MEFGMAGPSA-N	-1	0	447.689	6.664	40	30		IKEBRM
COc1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c([O-])c([N+](=O)[O-])c1	ZINC000014408555	557444131	/nfs/dbraw/zinc/44/41/31/557444131.db2.gz	KXRPXGYAKUVTNX-JFLMPSFJSA-N	-1	0	439.427	5.858	40	30		IKEBRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000104099761	557450025	/nfs/dbraw/zinc/45/00/25/557450025.db2.gz	LAGMNEWJJIXYGR-FSJBWODESA-N	-1	0	435.332	5.559	40	30		IKEBRM
CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(C)cc([N+](=O)[O-])c4[O-])cc3)nc2c1	ZINC000017096456	557476665	/nfs/dbraw/zinc/47/66/65/557476665.db2.gz	HEVHLVJXJRYLGI-JOBSNELWSA-N	-1	0	429.476	6.681	40	30		IKEBRM
CCc1nnc(C2=C([O-])C(=Cc3cc(C)n(-c4c(C)cccc4C)c3C)SC2=N)s1	ZINC000033535117	557808297	/nfs/dbraw/zinc/80/82/97/557808297.db2.gz	HMBJRYXRASHMAK-RMMZUQQZSA-N	-1	0	436.606	5.543	40	30		IKEBRM
Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000059249207	557819217	/nfs/dbraw/zinc/81/92/17/557819217.db2.gz	PQWHFBRZKSIWMX-LQKURTRISA-N	-1	0	428.919	6.863	40	30		IKEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c2)c1	ZINC000059475475	557824890	/nfs/dbraw/zinc/82/48/90/557824890.db2.gz	KIKLPNHZISBAIR-JRXWSOMVSA-N	-1	0	440.271	5.349	40	30		IKEBRM
COc1c([C@H](CC(C)C)OC)ccc(Oc2c(O)cc(C)cc2/C=C/C(C)=O)c1C(=O)[O-]	ZINC000225418902	560043527	/nfs/dbraw/zinc/04/35/27/560043527.db2.gz	OCPBLASCIPIYAJ-CQQBXOTJSA-N	-1	0	442.508	5.536	40	30	biogenic,in-vitro	IKEBRM
COc1c([C@@H](CC(C)C)OC)ccc(Oc2c(O)cc(C)cc2/C=C/C(C)=O)c1C(=O)[O-]	ZINC000225418857	560043586	/nfs/dbraw/zinc/04/35/86/560043586.db2.gz	OCPBLASCIPIYAJ-QQUYBBDPSA-N	-1	0	442.508	5.536	40	30	biogenic,in-vitro	IKEBRM
C=C(C)[C@H]1C[C@H](c2ccc(Cl)cc2)[C@H](C)O[C@@H]1c1cc(CCC(=O)[O-])ccc1OCC	ZINC000585263885	568873600	/nfs/dbraw/zinc/87/36/00/568873600.db2.gz	BMDCJHITICNRKM-OQGNEYSTSA-N	-1	0	442.983	6.582	40	30		IKEBRM
C=C(C)[C@H]1C[C@@H](c2ccc(Cl)cc2)[C@H](C)O[C@@H]1c1cc(C(=O)[O-])ccc1OCC(C)C	ZINC000585263920	568873635	/nfs/dbraw/zinc/87/36/35/568873635.db2.gz	GZLWVWCGNYAQFY-CWYGMBDRSA-N	-1	0	442.983	6.899	40	30		IKEBRM
C=C(C)[C@H]1C[C@H](c2ccc(Cl)cc2)[C@H](C)O[C@@H]1c1cc(C(=O)[O-])ccc1OCC(C)C	ZINC000585263921	568873672	/nfs/dbraw/zinc/87/36/72/568873672.db2.gz	GZLWVWCGNYAQFY-JBLZDJPZSA-N	-1	0	442.983	6.899	40	30		IKEBRM
C=C(C)[C@H]1C[C@H](c2ccccc2)[C@H](CCCCC)O[C@@H]1c1cccc(F)c1OCC(=O)[O-]	ZINC000585267998	568874574	/nfs/dbraw/zinc/87/45/74/568874574.db2.gz	TUYMBCCTBDLOES-WUUJFSMWSA-N	-1	0	440.555	6.676	40	30		IKEBRM
COCc1c(C#N)c(=O)[n-]c(/C=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c1[N+](=O)[O-]	ZINC000108019932	569252043	/nfs/dbraw/zinc/25/20/43/569252043.db2.gz	BLIQTUIKOXLBJV-ZZXKWVIFSA-N	-1	0	446.246	5.038	40	30		IKEBRM
COC(=O)c1cccc(/N=C\c2cc(C)n(-c3sc4c(c3C(=O)[O-])CCCC4)c2C)c1	ZINC000016268277	569261602	/nfs/dbraw/zinc/26/16/02/569261602.db2.gz	GYTBIAYMKLVOOZ-MXAYSNPKSA-N	-1	0	436.533	5.270	40	30		IKEBRM
Cc1cc(C)c(COc2ccc(C=C3SC(=N)C(c4nccs4)=C3[O-])cc2)c(C)c1	ZINC000033586437	569261763	/nfs/dbraw/zinc/26/17/63/569261763.db2.gz	WNIVOEVYZGIUOH-YFPORYOGSA-N	-1	0	434.586	6.065	40	30		IKEBRM
CCN1C(=O)/C(=C\c2c(OC)ccc3ccccc32)S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000035656239	569261979	/nfs/dbraw/zinc/26/19/79/569261979.db2.gz	GNYOIACHZNDIKK-MDIFQPDJSA-N	-1	0	432.501	5.171	40	30		IKEBRM
CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1[O-]	ZINC000038179855	569262150	/nfs/dbraw/zinc/26/21/50/569262150.db2.gz	GVIKTYRRIOUFQX-ZMOGYAJESA-N	-1	0	439.855	5.355	40	30		IKEBRM
CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc([N+](=O)[O-])cc(OC)c4[O-])c3)nc2c1	ZINC000038180022	569262157	/nfs/dbraw/zinc/26/21/57/569262157.db2.gz	FFPZZKBAGURHEH-NXYZXBHKSA-N	-1	0	445.475	6.381	40	30		IKEBRM
CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(C)cc([N+](=O)[O-])c4[O-])c3)nc2c1	ZINC000038180040	569262193	/nfs/dbraw/zinc/26/21/93/569262193.db2.gz	LTJXEVZOTRRJBI-JOBSNELWSA-N	-1	0	429.476	6.681	40	30		IKEBRM
CCc1nnc(C2=C([O-])C(=Cc3cc(C)n(-c4ccc(C)c(C)c4)c3C)SC2=N)s1	ZINC000108019481	569262390	/nfs/dbraw/zinc/26/23/90/569262390.db2.gz	JYDOMNITMMCAAR-PYXFXZIOSA-N	-1	0	436.606	5.543	40	30		IKEBRM
Cc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])c(C)n1-c1ccc(C(C)(C)C)cc1	ZINC000138020620	569262681	/nfs/dbraw/zinc/26/26/81/569262681.db2.gz	VEMWTKDRONDLNC-GZPWUMDQSA-N	-1	0	435.618	6.266	40	30		IKEBRM
Cc1cccc(-c2nc3cc(/N=C/c4cc(Cl)cc(Br)c4[O-])ccc3o2)c1	ZINC000003050033	569438963	/nfs/dbraw/zinc/43/89/63/569438963.db2.gz	INBUAJPSCZSKAK-BHGWPJFGSA-N	-1	0	441.712	6.675	40	30		IKEBRM
Cc1c(Cl)c(C)c(/C=N/c2cc(-c3ccccc3)ccc2O)c([O-])c1Br	ZINC000003068532	569439776	/nfs/dbraw/zinc/43/97/76/569439776.db2.gz	WLOHQRDRFSRNKE-BHGWPJFGSA-N	-1	0	430.729	6.548	40	30		IKEBRM
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc3oc(-c4cccnc4)nc3c2)c1	ZINC000003184425	569441353	/nfs/dbraw/zinc/44/13/53/569441353.db2.gz	ODAHBFJGJHGHKM-LSHDLFTRSA-N	-1	0	439.225	5.017	40	30		IKEBRM
N#Cc1c(SCc2cccs2)nc(-c2ccc(C(=O)[O-])cc2)cc1-c1cccs1	ZINC000008742319	569472954	/nfs/dbraw/zinc/47/29/54/569472954.db2.gz	ABWVOEQCDGMVPF-UHFFFAOYSA-N	-1	0	434.567	6.401	40	30		IKEBRM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1nc(-c2ccccc2)cs1	ZINC000012275795	569583599	/nfs/dbraw/zinc/58/35/99/569583599.db2.gz	KRPWDMUWVQMGNG-NCELDCMTSA-N	-1	0	444.545	5.124	40	30		IKEBRM
Cc1nc(N)c(C#N)c(-c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)c1-c1ccccc1	ZINC000408821586	569585189	/nfs/dbraw/zinc/58/51/89/569585189.db2.gz	JDYCHPBSSXWHKR-UHFFFAOYSA-N	-1	0	429.863	5.790	40	30		IKEBRM
C=CCOc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccc(Cl)c(C(=O)[O-])c2)N=C1C	ZINC000096193277	519036877	/nfs/dbraw/zinc/03/68/77/519036877.db2.gz	WOVSQKCKRJFLLB-YBEGLDIGSA-N	-1	0	431.275	5.063	40	30		IKEBRM
CCCCCCCCCCCCCCCCCCc1ccc(C(=O)/C=C\C(=O)[O-])cc1	ZINC000038139326	519996073	/nfs/dbraw/zinc/99/60/73/519996073.db2.gz	ZBESASFHIWDSCJ-VHXPQNKSSA-N	-1	0	428.657	8.314	40	30		IKEBRM
CCCCCCCCCCCCCCCC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)[O-]	ZINC000100306482	520003456	/nfs/dbraw/zinc/00/34/56/520003456.db2.gz	YWUFQAQWMURITA-HSZRJFAPSA-N	-1	0	445.471	8.697	40	30		IKEBRM
CCCCCCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)[O-])cc2)cc1F	ZINC000059663947	520011231	/nfs/dbraw/zinc/01/12/31/520011231.db2.gz	MVARNMSEZDILHR-VFCFBJKWSA-N	-1	0	427.560	7.574	40	30		IKEBRM
CCCCCCCOC(=O)C(=Cc1ccc(C(=O)[O-])cc1)C(=O)OCCCCCCC	ZINC000059663807	520060045	/nfs/dbraw/zinc/06/00/45/520060045.db2.gz	CPSWLWKWTOARRE-UHFFFAOYSA-N	-1	0	432.557	5.795	40	30		IKEBRM
COc1cccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c1	ZINC000009323759	525764836	/nfs/dbraw/zinc/76/48/36/525764836.db2.gz	QMVYJJUAUVALBU-JUMVDPBBSA-N	-1	0	444.512	5.198	40	30		IKEBRM
N#Cc1c2c(sc1/N=C/c1cc(Cl)cc(Cl)c1[O-])CN(Cc1ccccc1)CC2	ZINC000012364100	526532729	/nfs/dbraw/zinc/53/27/29/526532729.db2.gz	HOPHACXAULVFIX-KBKYJPHKSA-N	-1	0	442.371	5.941	40	30		IKEBRM
O=C1C(=O)N(c2nccs2)[C@@H](c2ccc(Cl)cc2Cl)C1=C([O-])c1cccs1	ZINC000085409838	526834283	/nfs/dbraw/zinc/83/42/83/526834283.db2.gz	REPMWPWILFOHQX-AWEZNQCLSA-N	-1	0	437.329	5.294	40	30		IKEBRM
O=C(Nc1cccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])c1)c1ccccc1	ZINC000013477159	527323152	/nfs/dbraw/zinc/32/31/52/527323152.db2.gz	PVELPIYAELTEIF-WSDLNYQXSA-N	-1	0	440.253	5.066	40	30		IKEBRM
CCc1ccc(/N=C2/NC(=O)/C(=C/c3cc(Cl)c([O-])c(Br)c3)S2)cc1	ZINC000034835058	555510074	/nfs/dbraw/zinc/51/00/74/555510074.db2.gz	RYZREASCUNZZFH-DHDCSXOGSA-N	-1	0	437.746	5.262	40	30		IKEBRM
COC(=O)c1cccc(Cn2cc(/C=N/c3cccc(C(=O)[O-])c3C)c3ccccc32)c1	ZINC000408544820	555792724	/nfs/dbraw/zinc/79/27/24/555792724.db2.gz	XSJGMZJCZKHAQO-MZJWZYIUSA-N	-1	0	426.472	5.233	40	30		IKEBRM
COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])ccc1OCc1ccc(F)cc1	ZINC000035352493	556081034	/nfs/dbraw/zinc/08/10/34/556081034.db2.gz	QRJBCIDGWWQNKY-OKYLLYMWSA-N	-1	0	440.521	5.288	40	30		IKEBRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(C=NNc2ccc(I)cc2)o1	ZINC000009262027	556269207	/nfs/dbraw/zinc/26/92/07/556269207.db2.gz	GCLGFKGKOWANBF-SRZZPIQSSA-N	-1	0	446.244	5.004	40	30		IKEBRM
CCc1ccccc1/N=C1\S/C(=C/c2ccc(C(=O)[O-])cc2)C(=O)N1C1CCCCC1	ZINC000408910949	556495426	/nfs/dbraw/zinc/49/54/26/556495426.db2.gz	IDWBIPNJNQQHAR-HNEFAFEWSA-N	-1	0	434.561	5.884	40	30		IKEBRM
CC[C@H](C)N1C(=O)/C(=C\c2cc(OC)c([O-])c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1	ZINC000408913346	556498362	/nfs/dbraw/zinc/49/83/62/556498362.db2.gz	QBYXIXJLFCBHBY-AQQMAPHHSA-N	-1	0	441.509	5.020	40	30		IKEBRM
Cc1cc(/C=N\c2ccc(C)cc2Br)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408934843	556528171	/nfs/dbraw/zinc/52/81/71/556528171.db2.gz	DJKKYIUOPRDXFP-MYKKPKGFSA-N	-1	0	445.744	6.267	40	30		IKEBRM
Cc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000032109607	556530031	/nfs/dbraw/zinc/53/00/31/556530031.db2.gz	XYLRHVASCIVPNR-IKMQVZDESA-N	-1	0	445.544	5.335	40	30		IKEBRM
COc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000408967443	556576382	/nfs/dbraw/zinc/57/63/82/556576382.db2.gz	RNBFVBZJWZXULJ-WYMPLXKRSA-N	-1	0	440.839	5.285	40	30		IKEBRM
O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2ccccc2C(F)(F)F)c1[O-]	ZINC000016450170	556609294	/nfs/dbraw/zinc/60/92/94/556609294.db2.gz	OGPOJHAYTINJQW-RPPGKUMJSA-N	-1	0	434.801	6.314	40	30		IKEBRM
[O-]c1c(Cl)cc(Br)cc1/C=N\c1ccc(-c2nc3ccccc3o2)cc1	ZINC000016545317	556614695	/nfs/dbraw/zinc/61/46/95/556614695.db2.gz	OZQVSUJOSJMMDH-KSEXSDGBSA-N	-1	0	427.685	6.367	40	30		IKEBRM
CCC(=O)Nc1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc([N+](=O)[O-])c2[O-])cc1	ZINC000016609901	556617352	/nfs/dbraw/zinc/61/73/52/556617352.db2.gz	PIJOSSNLLJVUFA-AFUMVMLFSA-N	-1	0	437.883	5.644	40	30		IKEBRM
CCCCOC(=O)c1ccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2[O-])cc1	ZINC000016638955	556619430	/nfs/dbraw/zinc/61/94/30/556619430.db2.gz	PCGROMWVFISURP-YZSQISJMSA-N	-1	0	432.476	5.599	40	30		IKEBRM
[O-]c1c(Br)cc(Br)cc1/C=N/c1nc(-c2ccccc2)cs1	ZINC000017060929	556654747	/nfs/dbraw/zinc/65/47/47/556654747.db2.gz	ZSQVWGNKELPHOV-UFWORHAWSA-N	-1	0	438.144	5.791	40	30		IKEBRM
O=[N+]([O-])c1ccc2c(ccc(O)c2/C=N/c2ccc(-c3nc4ccccc4o3)c([O-])c2)c1	ZINC000000793792	556695425	/nfs/dbraw/zinc/69/54/25/556695425.db2.gz	DXTSCHPSNZUAKP-DHRITJCHSA-N	-1	0	425.400	5.718	40	30		IKEBRM
CCc1nnc(C2=C([O-])C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)SC2=N)s1	ZINC000136336840	556722469	/nfs/dbraw/zinc/72/24/69/556722469.db2.gz	QQKAWCBLQQWTDL-AWQJBHPZSA-N	-1	0	426.542	5.065	40	30		IKEBRM
CCc1nnc(C2=C([O-])C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)SC2=N)s1	ZINC000136765655	556722607	/nfs/dbraw/zinc/72/26/07/556722607.db2.gz	QZLRWJMYVFDXQI-AWQJBHPZSA-N	-1	0	442.997	5.579	40	30		IKEBRM
N=C1SC(=Cc2ccc(OCc3cccc4ccccc43)cc2)C([O-])=C1c1nccs1	ZINC000137369549	556723538	/nfs/dbraw/zinc/72/35/38/556723538.db2.gz	PRUIOZILTKEDFV-JQHCICQGSA-N	-1	0	442.565	6.293	40	30		IKEBRM
CCCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccc(C(=O)[O-])cc2)N(C)C1=O	ZINC000409057280	556755936	/nfs/dbraw/zinc/75/59/36/556755936.db2.gz	VJMZTRSNWAGDIK-HPJGCCTDSA-N	-1	0	430.913	5.061	40	30		IKEBRM
CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])sc2C1	ZINC000409088501	556791449	/nfs/dbraw/zinc/79/14/49/556791449.db2.gz	KDMZDQDAPAYNLO-OWGFIJSYSA-N	-1	0	428.470	5.043	40	30		IKEBRM
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)o1	ZINC000409089236	556791746	/nfs/dbraw/zinc/79/17/46/556791746.db2.gz	ZBIYMWZWNKGOPO-WBBAFLOHSA-N	-1	0	446.572	6.788	40	30		IKEBRM
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c1	ZINC000008934998	556852760	/nfs/dbraw/zinc/85/27/60/556852760.db2.gz	YOYAHTUROULARB-SSDVNMTOSA-N	-1	0	438.237	5.622	40	30		IKEBRM
[O-]c1c(Br)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccccc3)nc2c1	ZINC000008935002	556852794	/nfs/dbraw/zinc/85/27/94/556852794.db2.gz	XAILHJSBALYCLU-FOKLQQMPSA-N	-1	0	427.685	6.367	40	30		IKEBRM
Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)S1	ZINC000408778983	556853930	/nfs/dbraw/zinc/85/39/30/556853930.db2.gz	OFBSMDMBGVNSAV-ODLFYWEKSA-N	-1	0	438.892	5.498	40	30		IKEBRM
C=CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2cc(Cl)ccc2C)C1=O	ZINC000408814869	556865575	/nfs/dbraw/zinc/86/55/75/556865575.db2.gz	WJMBTNZNZJIZOM-XSFVSMFZSA-N	-1	0	446.890	5.033	40	30		IKEBRM
Cc1cc(/C=N/c2ccc(Br)cc2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408850314	556870573	/nfs/dbraw/zinc/87/05/73/556870573.db2.gz	LEKDZWBXOIMJDR-FOKLQQMPSA-N	-1	0	431.717	5.959	40	30		IKEBRM
Cc1ccc(-c2ccc(/C=C3\SC(=Nc4cccc(Cl)c4)NC3=O)o2)cc1C(=O)[O-]	ZINC000408858923	556871930	/nfs/dbraw/zinc/87/19/30/556871930.db2.gz	UPELEQMCDKZCKA-ODLFYWEKSA-N	-1	0	438.892	5.498	40	30		IKEBRM
Cc1ccc(/N=C2\S/C(=C/c3ccc(C(=O)[O-])cc3)C(=O)N2c2ccc(C)cc2)cc1	ZINC000408912567	556886627	/nfs/dbraw/zinc/88/66/27/556886627.db2.gz	NXEIEHNKUKYJRF-JUMVDPBBSA-N	-1	0	428.513	5.810	40	30		IKEBRM
Cc1ccc(/N=C2\S/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)C(=O)N2c2ccc(C)cc2)cc1	ZINC000408909787	556887545	/nfs/dbraw/zinc/88/75/45/556887545.db2.gz	DZZXOFFECFPLQQ-QMSJJHEMSA-N	-1	0	445.500	5.726	40	30		IKEBRM
Cc1ccc(/N=C2\S/C(=C/c3ccc(C(=O)[O-])cc3)C(=O)N2Cc2ccccc2)cc1	ZINC000408910783	556887969	/nfs/dbraw/zinc/88/79/69/556887969.db2.gz	HXBVGQCWGTVOKB-JUMVDPBBSA-N	-1	0	428.513	5.497	40	30		IKEBRM
O=C1/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)S/C(=N\c2ccccc2)N1CCc1ccccc1	ZINC000408911783	556888466	/nfs/dbraw/zinc/88/84/66/556888466.db2.gz	OIKHXKSOTZVSHY-FTJNEJEMSA-N	-1	0	445.500	5.147	40	30		IKEBRM
Cc1ccc(Sc2oc(/C=N\c3cc(C(=O)[O-])ccc3C)cc2Br)cc1	ZINC000408915178	556890050	/nfs/dbraw/zinc/89/00/50/556890050.db2.gz	VNXVZQBZSNKQOB-JJFYIABZSA-N	-1	0	430.323	6.259	40	30		IKEBRM
COc1ccc(/N=C2\S/C(=C\c3ccccc3)C(=O)N2Cc2ccc(C(=O)[O-])cc2)cc1	ZINC000408932403	556896165	/nfs/dbraw/zinc/89/61/65/556896165.db2.gz	WTKHGJVTHASSHC-GZAOZUBMSA-N	-1	0	444.512	5.198	40	30		IKEBRM
COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc([N+](=O)[O-])c1[O-]	ZINC000408938679	556897335	/nfs/dbraw/zinc/89/73/35/556897335.db2.gz	RCBYDLLMIQRFFW-SKKTVYBZSA-N	-1	0	441.487	5.886	40	30		IKEBRM
CCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)SC1=Nc1ccccc1	ZINC000408960729	556899524	/nfs/dbraw/zinc/89/95/24/556899524.db2.gz	IDXLGXNPFVMMNN-JXJWTFEASA-N	-1	0	446.528	5.967	40	30		IKEBRM
CN1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)SC1=Nc1ccccc1	ZINC000408959773	556899760	/nfs/dbraw/zinc/89/97/60/556899760.db2.gz	FRKHGHLXGVLNRI-JXJWTFEASA-N	-1	0	444.512	5.198	40	30		IKEBRM
Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)S2)cc1C	ZINC000408961820	556901076	/nfs/dbraw/zinc/90/10/76/556901076.db2.gz	OEIZBSLTPJRODJ-MTJSOVHGSA-N	-1	0	432.501	5.462	40	30		IKEBRM
COc1cc(C=Nn2c(=S)[n-]nc2-c2ccc(C)cc2)ccc1OCc1ccccc1	ZINC000019860967	556933347	/nfs/dbraw/zinc/93/33/47/556933347.db2.gz	KPZGAVGMRRUEKF-MYYYXRDXSA-N	-1	0	430.533	5.386	40	30		IKEBRM
COc1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1OCc1ccccc1	ZINC000019860969	556933430	/nfs/dbraw/zinc/93/34/30/556933430.db2.gz	MCLSZYHOJNIQLB-MYYYXRDXSA-N	-1	0	430.533	5.386	40	30		IKEBRM
CC(C)Oc1ccc(Cl)cc1/C=C1/S/C(=N\c2cccc(C(=O)[O-])c2)N(C)C1=O	ZINC000409059122	556936403	/nfs/dbraw/zinc/93/64/03/556936403.db2.gz	PNDGCHWQNZTROF-UXTWZOPHSA-N	-1	0	430.913	5.059	40	30		IKEBRM
CCOc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)c2ccccc12	ZINC000409065204	556941320	/nfs/dbraw/zinc/94/13/20/556941320.db2.gz	FAMFYTCRUQLEPL-JUMVDPBBSA-N	-1	0	446.528	5.561	40	30		IKEBRM
CCCN1C(=O)/C(=C/c2cccn2-c2cccc(C(=O)[O-])c2)SC1=Nc1ccccc1	ZINC000409099235	556954330	/nfs/dbraw/zinc/95/43/30/556954330.db2.gz	KGTAXSFUNBYEDD-SNSRFIGSSA-N	-1	0	431.517	5.190	40	30		IKEBRM
COc1ccc(Oc2ccc(/N=C/c3cc(Br)cc([N+](=O)[O-])c3[O-])cc2)cc1	ZINC000409100047	556955013	/nfs/dbraw/zinc/95/50/13/556955013.db2.gz	UMLWJCSAMWVICB-WSDLNYQXSA-N	-1	0	443.253	5.614	40	30		IKEBRM
CCN1C(=O)/C(=C\c2ccc(-c3ccccc3C(=O)[O-])o2)S/C1=N/c1ccc(C)cc1	ZINC000409160575	556975296	/nfs/dbraw/zinc/97/52/96/556975296.db2.gz	UJPOJPUUASYFGQ-JEBQXDLDSA-N	-1	0	432.501	5.577	40	30		IKEBRM
COc1ccc(Cl)cc1/N=C/c1cccc(OC)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409184792	556990870	/nfs/dbraw/zinc/99/08/70/556990870.db2.gz	NPTRFUJNARZWJG-DHRITJCHSA-N	-1	0	425.868	5.385	40	30		IKEBRM
CCOc1cccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1OCC(=O)[O-]	ZINC000409211228	557005852	/nfs/dbraw/zinc/00/58/52/557005852.db2.gz	NCVDGPGXDAUTEP-NLOAGFHQSA-N	-1	0	440.565	5.383	40	30		IKEBRM
Cc1ccc(C)c(/N=C/c2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)c1	ZINC000409211289	557005857	/nfs/dbraw/zinc/00/58/57/557005857.db2.gz	MUSDBBUHINERGY-DHRITJCHSA-N	-1	0	438.321	6.094	40	30		IKEBRM
COc1cccc(/C=N/c2ccc(-c3ccccc3)cc2)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409187534	557008251	/nfs/dbraw/zinc/00/82/51/557008251.db2.gz	RPIBATFXDZSMQE-RDRPBHBLSA-N	-1	0	437.495	6.390	40	30		IKEBRM
COc1cccc(/C=N\c2ccc(Cl)c(Cl)c2)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409190788	557009523	/nfs/dbraw/zinc/00/95/23/557009523.db2.gz	WFDXTHUJADFTEO-ROTLSHHCSA-N	-1	0	430.287	6.030	40	30		IKEBRM
CC(C)/N=C1\S/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C(=O)N1C(C)C	ZINC000409199350	557012983	/nfs/dbraw/zinc/01/29/83/557012983.db2.gz	BRUBILYGTJZEQJ-MBCVIIHWSA-N	-1	0	432.929	5.387	40	30		IKEBRM
CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409200669	557013860	/nfs/dbraw/zinc/01/38/60/557013860.db2.gz	JMVDLTKAMRSEPI-MZJWZYIUSA-N	-1	0	437.923	6.383	40	30		IKEBRM
CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Br)c1OCC(=O)[O-]	ZINC000409201084	557014030	/nfs/dbraw/zinc/01/40/30/557014030.db2.gz	LSJOEXRRWXLSIT-ZVBGSRNCSA-N	-1	0	426.694	5.024	40	30		IKEBRM
Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3)o2)S1	ZINC000409237121	557018823	/nfs/dbraw/zinc/01/88/23/557018823.db2.gz	JETQIKUAZYPMDY-YBFXNURJSA-N	-1	0	438.892	5.498	40	30		IKEBRM
Cc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)c(C)c1	ZINC000409208943	557019993	/nfs/dbraw/zinc/01/99/93/557019993.db2.gz	AYCRTAVSZFABCI-DHRITJCHSA-N	-1	0	438.321	6.094	40	30		IKEBRM
CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3)o2)S/C1=N/c1ccc(OC)cc1	ZINC000409239792	557021042	/nfs/dbraw/zinc/02/10/42/557021042.db2.gz	FELZXVODQRFLNS-JEBQXDLDSA-N	-1	0	448.500	5.277	40	30		IKEBRM
CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409212331	557025882	/nfs/dbraw/zinc/02/58/82/557025882.db2.gz	OXZGGVJGDXYCNM-MZJWZYIUSA-N	-1	0	437.923	6.383	40	30		IKEBRM
Cc1cc(/C=N\c2ccc(I)cc2)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409212605	557026239	/nfs/dbraw/zinc/02/62/39/557026239.db2.gz	QWBVVUDYKBLENT-UUYOSTAYSA-N	-1	0	444.272	5.148	40	30		IKEBRM
COc1cccc(/C=N/c2ccc(Oc3ccccc3Cl)cc2)c1O[C@@H](C)C(=O)[O-]	ZINC000409248802	557029383	/nfs/dbraw/zinc/02/93/83/557029383.db2.gz	QWDOHUHRNHPTQS-CAUYNWHBSA-N	-1	0	425.868	5.743	40	30		IKEBRM
Cc1cc(/C=C2\SC(=Nc3ccc(C)cc3C)NC2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409216733	557031250	/nfs/dbraw/zinc/03/12/50/557031250.db2.gz	KXZCYCNENUPYCO-XKZIYDEJSA-N	-1	0	445.544	5.301	40	30		IKEBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(N=Nc3ccccc3)cc2)C1=O	ZINC000408531852	557031932	/nfs/dbraw/zinc/03/19/32/557031932.db2.gz	HJFDYKNWZJERKH-QWZNLYDNSA-N	-1	0	425.448	5.012	40	30		IKEBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(N=Nc4ccccc4)cc3)C2=O)c1	ZINC000408535366	557032643	/nfs/dbraw/zinc/03/26/43/557032643.db2.gz	NUELQQUAOXYLPP-SSRKWXPQSA-N	-1	0	425.448	5.012	40	30		IKEBRM
O=C([O-])c1ccc(Cn2cc(/C=N/c3ccc(Nc4ccccc4)cc3)c3ccccc32)o1	ZINC000408543712	557034652	/nfs/dbraw/zinc/03/46/52/557034652.db2.gz	SIBDFQIOJNYZON-LQKURTRISA-N	-1	0	435.483	6.475	40	30		IKEBRM
O=C([O-])c1ccc(-n2cccc2/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000409230827	557056870	/nfs/dbraw/zinc/05/68/70/557056870.db2.gz	GCDMJRRJMGWOLU-PCLIKHOPSA-N	-1	0	443.484	5.986	40	30		IKEBRM
C=CCOc1ccc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)[O-])cc1	ZINC000408631180	557072897	/nfs/dbraw/zinc/07/28/97/557072897.db2.gz	CMYCLKURXMQONH-WQRHYEAKSA-N	-1	0	444.896	5.181	40	30		IKEBRM
C=CCn1cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])c2ccccc21	ZINC000408631626	557073234	/nfs/dbraw/zinc/07/32/34/557073234.db2.gz	ACZRYFODFWMCOZ-UNOMPAQXSA-N	-1	0	436.924	5.484	40	30		IKEBRM
Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)S1	ZINC000409244716	557080404	/nfs/dbraw/zinc/08/04/04/557080404.db2.gz	HTWMHUBYALDDOX-ODLFYWEKSA-N	-1	0	438.892	5.498	40	30		IKEBRM
N#Cc1ccccc1COc1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])cc1	ZINC000408633289	557082132	/nfs/dbraw/zinc/08/21/32/557082132.db2.gz	JREJZYNXCKWMFV-XKZIYDEJSA-N	-1	0	428.469	5.496	40	30		IKEBRM
CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3sc4c(c3C(=O)[O-])CCCC4)c2C)cc1	ZINC000409384811	557092185	/nfs/dbraw/zinc/09/21/85/557092185.db2.gz	DNBJDXAHMHPTKQ-JVWAILMASA-N	-1	0	449.620	6.329	40	30		IKEBRM
CCCCCCCCCCCC(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1	ZINC000408674371	557096761	/nfs/dbraw/zinc/09/67/61/557096761.db2.gz	ZMKAKPXMNSRXBU-UHFFFAOYSA-N	-1	0	438.568	6.497	40	30		IKEBRM
Cc1cc(/C=N\c2cccc(Cl)c2Cl)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000409386694	557098707	/nfs/dbraw/zinc/09/87/07/557098707.db2.gz	WSRQQWAFCVRNIO-GATIEOLUSA-N	-1	0	447.387	6.790	40	30		IKEBRM
Cc1ccc(/N=C\c2cc(Br)cc(I)c2[O-])c(C)c1	ZINC000102648736	557130789	/nfs/dbraw/zinc/13/07/89/557130789.db2.gz	FCDVGNSNPXXYGR-LSCVHKIXSA-N	-1	0	430.083	5.127	40	30		IKEBRM
N#Cc1c(/N=C/c2cc(Br)c([O-])c(Br)c2)sc2c1CCCC2	ZINC000002892649	557135222	/nfs/dbraw/zinc/13/52/22/557135222.db2.gz	WAUZVWZMMWAJTK-DNTJNYDQSA-N	-1	0	440.160	5.480	40	30		IKEBRM
Cc1cc(/C=N\c2ccc3ccccc3c2)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000409386804	557141990	/nfs/dbraw/zinc/14/19/90/557141990.db2.gz	SBMLPMPWEZKUDH-DICXZTSXSA-N	-1	0	428.557	6.636	40	30		IKEBRM
CCc1ccc(N=C2NC(=O)/C(=C/c3cc(Cl)cc(Br)c3[O-])S2)cc1	ZINC000408759846	557178048	/nfs/dbraw/zinc/17/80/48/557178048.db2.gz	MTCOMCNYFAKUOV-NVNXTCNLSA-N	-1	0	437.746	5.262	40	30		IKEBRM
Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)S2)c1	ZINC000408766077	557188620	/nfs/dbraw/zinc/18/86/20/557188620.db2.gz	OLSYEBCHZXFTLA-ODLFYWEKSA-N	-1	0	438.892	5.498	40	30		IKEBRM
Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)cc2)S1	ZINC000408783998	557207408	/nfs/dbraw/zinc/20/74/08/557207408.db2.gz	PGCMKLIFORPRNS-HMAPJEAMSA-N	-1	0	444.512	5.164	40	30		IKEBRM
Cc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(C)n1-c1cccc(C)c1	ZINC000408789422	557210133	/nfs/dbraw/zinc/21/01/33/557210133.db2.gz	QDEFGJSXONVEDX-AMQQTSRNSA-N	-1	0	445.544	5.335	40	30		IKEBRM
CCOc1cc(Cl)cc(/C=N/c2c(Br)cc([O-])cc2Br)c1O	ZINC000038162407	557223177	/nfs/dbraw/zinc/22/31/77/557223177.db2.gz	AIDVLLPQRVBAGZ-FBCYGCLPSA-N	-1	0	449.526	5.426	40	30		IKEBRM
COc1cc(Cl)cc(/C=N/c2c(Br)cc([O-])cc2Br)c1O	ZINC000038162402	557223211	/nfs/dbraw/zinc/22/32/11/557223211.db2.gz	DAOXQTZFEUBBGE-NGYBGAFCSA-N	-1	0	435.499	5.035	40	30		IKEBRM
C[C@@H](Oc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1)C(=O)[O-]	ZINC000408817128	557230623	/nfs/dbraw/zinc/23/06/23/557230623.db2.gz	XDMKMXGMKYAWSP-DHYUORNGSA-N	-1	0	444.512	5.347	40	30		IKEBRM
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COC(=O)[O-]	ZINC000100503720	557262748	/nfs/dbraw/zinc/26/27/48/557262748.db2.gz	MUDPWZRGYHRPDQ-JOCHJYFZSA-N	-1	0	430.626	6.627	40	30		IKEBRM
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)[C@@H]1OC(=O)C(O)=C1[O-]	ZINC000100634117	557266918	/nfs/dbraw/zinc/26/69/18/557266918.db2.gz	LITUBCVUXPBCGA-XXBNENTESA-N	-1	0	442.593	5.405	40	30	endogenous,in-man	IKEBRM
Cc1ccc(C)n1-c1ccc(/N=C\c2cc(C)n(-c3ccc(C(=O)[O-])c(Cl)c3)c2C)cc1	ZINC000408846975	557267525	/nfs/dbraw/zinc/26/75/25/557267525.db2.gz	OKWZJUVKVGQGMQ-MBTHVWNTSA-N	-1	0	445.950	6.604	40	30		IKEBRM
CCCCCCCCCCCCC[C@@H](CCCCCCCCCCC)C[C@@H](C)C(=O)[O-]	ZINC000105406316	557331459	/nfs/dbraw/zinc/33/14/59/557331459.db2.gz	JFXBYIDWKXORSN-VSGBNLITSA-N	-1	0	438.781	10.335	40	30		IKEBRM
CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Br)cc(Cl)c2[O-])c1	ZINC000016637020	557474911	/nfs/dbraw/zinc/47/49/11/557474911.db2.gz	AGTQGOBQANRZKM-ZVBGSRNCSA-N	-1	0	430.129	5.951	40	30		IKEBRM
CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc([N+](=O)[O-])cc(OC)c4[O-])cc3)nc2c1	ZINC000019643260	557504210	/nfs/dbraw/zinc/50/42/10/557504210.db2.gz	DEXZBHXZJUAWPP-IXORVSQSSA-N	-1	0	445.475	6.381	40	30		IKEBRM
CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2c3ccccc3cc3ccccc32)cc1	ZINC000004506597	557536829	/nfs/dbraw/zinc/53/68/29/557536829.db2.gz	BIQMPKOUVFGZMK-QRQIAZFYSA-N	-1	0	436.584	7.094	40	30		IKEBRM
COc1ccc2[nH]c3c(nc([O-])n(/N=C\[C@H]4CC=C(CCC=C(C)C)C[C@@H]4C)c3=O)c2c1	ZINC000033697572	557809061	/nfs/dbraw/zinc/80/90/61/557809061.db2.gz	ZTMKRAFIEVYSGH-ZNCGIYPRSA-N	-1	0	434.540	5.145	40	30		IKEBRM
C=CCc1cc(/C=N/c2ccc(Oc3ccc(OC)cc3)cc2)cc(OC)c1OCC(=O)[O-]	ZINC000059302370	557822132	/nfs/dbraw/zinc/82/21/32/557822132.db2.gz	YILINTMCGWDDNS-JVWAILMASA-N	-1	0	447.487	5.439	40	30		IKEBRM
O=C([O-])c1ccccc1/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1	ZINC000059500698	557826533	/nfs/dbraw/zinc/82/65/33/557826533.db2.gz	UTOAKQGTXBFZOK-DHRITJCHSA-N	-1	0	435.888	6.223	40	30		IKEBRM
C=CCN1C(=O)S/C(=C/c2c(OCc3ccc(C(=O)[O-])cc3)ccc3ccccc32)C1=O	ZINC000009324470	568818658	/nfs/dbraw/zinc/81/86/58/568818658.db2.gz	SKNMAKXVPBZMCI-HYARGMPZSA-N	-1	0	445.496	5.339	40	30		IKEBRM
C=C(C)[C@H]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(C)C)O[C@@H]1c1cc(CC(=O)[O-])ccc1OC	ZINC000585263904	568873683	/nfs/dbraw/zinc/87/36/83/568873683.db2.gz	DQQWVYDUBZFUEZ-SYUUKGODSA-N	-1	0	442.983	6.438	40	30		IKEBRM
C=C1C(=O)C(=O)C(CCCCCCCCCCCCC[C@H]2O[C@H]2CCCC)=C([O-])C1O	ZINC000100502371	568904604	/nfs/dbraw/zinc/90/46/04/568904604.db2.gz	CQYLCXGDVUAPIN-FCHUYYIVSA-N	-1	0	434.617	6.811	40	30		IKEBRM
CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)[C@H]3CC(C)=C(C)C[C@@H]3C(=O)[O-])sc2C1	ZINC000017096129	569173191	/nfs/dbraw/zinc/17/31/91/569173191.db2.gz	QDCGXDOIVZLMAF-SZMVWBNQSA-N	-1	0	428.598	5.547	40	30		IKEBRM
COCc1c(C#N)c(=O)[n-]c(C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)c1[N+](=O)[O-]	ZINC000033405378	569244009	/nfs/dbraw/zinc/24/40/09/569244009.db2.gz	KESOQXXNBVRPIB-FNORWQNLSA-N	-1	0	425.828	5.106	40	30		IKEBRM
N=C1SC(=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)C([O-])=C1c1nccs1	ZINC000033627049	569261686	/nfs/dbraw/zinc/26/16/86/569261686.db2.gz	NLLSUPGNVUWQJE-RBTJZALWSA-N	-1	0	437.502	5.048	40	30		IKEBRM
Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000034688470	569261956	/nfs/dbraw/zinc/26/19/56/569261956.db2.gz	WGAOZMBVIPIGQR-UHFFFAOYSA-N	-1	0	431.513	5.195	40	30		IKEBRM
CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2cccc(C(=O)[O-])c2)N(CC)C1=O	ZINC000035669284	569262041	/nfs/dbraw/zinc/26/20/41/569262041.db2.gz	PLPFLJWNBBNALR-JUMVDPBBSA-N	-1	0	446.528	5.561	40	30		IKEBRM
CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc([N+](=O)[O-])cc(OC)c4[O-])c3)nc2c1	ZINC000038180023	569262161	/nfs/dbraw/zinc/26/21/61/569262161.db2.gz	FFPZZKBAGURHEH-IXORVSQSSA-N	-1	0	445.475	6.381	40	30		IKEBRM
CCc1nnc(C2=C([O-])C(=Cc3ccc(OCc4cccc(C)c4)cc3)SC2=N)s1	ZINC000107796708	569262368	/nfs/dbraw/zinc/26/23/68/569262368.db2.gz	ZLBKWVKIKPLISO-STZOPLDQSA-N	-1	0	435.574	5.406	40	30		IKEBRM
N=C1SC(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C([O-])=C1c1nccs1	ZINC000108043445	569262403	/nfs/dbraw/zinc/26/24/03/569262403.db2.gz	SSVHSOCGXZOHPM-RBTJZALWSA-N	-1	0	437.502	5.048	40	30		IKEBRM
CCOC(=O)c1sc([N-]C(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)c(C#N)c1C	ZINC000057313749	569284440	/nfs/dbraw/zinc/28/44/40/569284440.db2.gz	HEOXAODFNZWIMQ-UHFFFAOYSA-N	-1	0	449.897	5.134	40	30		IKEBRM
[O-]c1cc(/N=C/c2cc(Br)ccc2O)ccc1-c1nc2ccccc2s1	ZINC000003060154	569439515	/nfs/dbraw/zinc/43/95/15/569439515.db2.gz	BNCSVCOGKZIIOS-SSDVNMTOSA-N	-1	0	425.307	5.888	40	30		IKEBRM
Cc1cc2nc(-c3cccc(/N=C/c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4[O-])c3)oc2c(C)c1	ZINC000003094525	569440041	/nfs/dbraw/zinc/44/00/41/569440041.db2.gz	OSNCSIKUXNSGCE-FOKLQQMPSA-N	-1	0	432.392	5.384	40	30		IKEBRM
O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c1[O-]	ZINC000003162518	569441026	/nfs/dbraw/zinc/44/10/26/569441026.db2.gz	XFMBZTBYKOFHGE-AUEPDCJTSA-N	-1	0	428.231	6.166	40	30		IKEBRM
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc(-c3nc4ccccc4[nH]3)cc2)c1	ZINC000003184398	569441402	/nfs/dbraw/zinc/44/14/02/569441402.db2.gz	AWDSYJRYLIPUSB-SSDVNMTOSA-N	-1	0	437.253	5.357	40	30		IKEBRM
CCCCCCCCCCCC1=C([O-])C(Nc2ccc(Cl)cc2Cl)=CC(=O)C1=O	ZINC000085340942	519985967	/nfs/dbraw/zinc/98/59/67/519985967.db2.gz	AWAAYYIABMMQLY-QOMWVZHYSA-N	-1	0	438.395	7.824	40	30	biogenic,in-vitro	IKEBRM
CCCCCCCCCCCCC[C@H](CCCCCCCCCCC)C[C@@H](C)C(=O)[O-]	ZINC000105406319	520007343	/nfs/dbraw/zinc/00/73/43/520007343.db2.gz	JFXBYIDWKXORSN-IZLXSDGUSA-N	-1	0	438.781	10.335	40	30		IKEBRM
CCCCCCCCCCCCOc1ccc(/N=C/c2ccc(OCC(=O)[O-])cc2)cc1	ZINC000059663620	520011877	/nfs/dbraw/zinc/01/18/77/520011877.db2.gz	ZCSUOODNNQGTPX-SGWCAAJKSA-N	-1	0	439.596	7.200	40	30		IKEBRM
CCCCCCCCCCCCS(=O)(=O)NCCCCCCCCCCC(=O)[O-]	ZINC000100921947	520013998	/nfs/dbraw/zinc/01/39/98/520013998.db2.gz	MLARVAXCQAJASB-UHFFFAOYSA-N	-1	0	433.699	6.422	40	30		IKEBRM
CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C#N)CC[C@@H](c2ccccc2)C3)[C@H](C(=O)[O-])C1	ZINC000035897871	520838118	/nfs/dbraw/zinc/83/81/18/520838118.db2.gz	BDGUZVIBYQBJJB-MISYRCLQSA-N	-1	0	434.561	5.278	40	30		IKEBRM
Cc1ccc2oc(-c3ccc(/N=C/c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4[O-])c(C)c3)nc2c1	ZINC000003042755	524085716	/nfs/dbraw/zinc/08/57/16/524085716.db2.gz	CVCUIHNUPFYYPM-FOKLQQMPSA-N	-1	0	432.392	5.384	40	30		IKEBRM
N#C[C@@H](Sc1nc(-c2cccs2)cc(-c2ccccc2)c1C(=O)[O-])c1ccccc1	ZINC000036656487	526496705	/nfs/dbraw/zinc/49/67/05/526496705.db2.gz	VMPUKTYEEWVQHV-OAQYLSRUSA-N	-1	0	428.538	6.532	40	30		IKEBRM
Cc1noc([N-]S(=O)(=O)c2ccc(NC=CC(=O)c3cccc4ccccc43)cc2)c1C	ZINC000013124017	526640834	/nfs/dbraw/zinc/64/08/34/526640834.db2.gz	IICIUEBGWCRBAH-PFONDFGASA-N	-1	0	447.516	5.054	40	30		IKEBRM
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccccc2OC(F)(F)C(F)F)c1	ZINC000003039889	527325698	/nfs/dbraw/zinc/32/56/98/527325698.db2.gz	LGOSWVFDHIGGEC-QPSGOUHRSA-N	-1	0	437.143	5.050	40	30		IKEBRM
[O-]c1c(I)cc(Br)cc1/C=N\c1ccccc1Cl	ZINC000409096425	556953110	/nfs/dbraw/zinc/95/31/10/556953110.db2.gz	JSJDJGVLIOLNOP-IDUWFGFVSA-N	-1	0	436.474	5.163	40	30		IKEBRM
Cc1n[nH]c(C)c1Sc1ccccc1/N=C/c1cc(Cl)cc(Br)c1[O-]	ZINC000001203654	555679672	/nfs/dbraw/zinc/67/96/72/555679672.db2.gz	DRYWKCKCWHVDNX-ZVBGSRNCSA-N	-1	0	436.762	6.050	40	30		IKEBRM
Cc1ccc(N=Nc2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccccc4F)C3=O)cc2)cc1	ZINC000408537289	555770071	/nfs/dbraw/zinc/77/00/71/555770071.db2.gz	UYSRETUGMHVLTD-CMKLALOZSA-N	-1	0	443.438	5.151	40	30		IKEBRM
CC(C)COc1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc1Br	ZINC000408600555	555968143	/nfs/dbraw/zinc/96/81/43/555968143.db2.gz	DEPNMUUVIROUCC-ZVBGSRNCSA-N	-1	0	425.710	5.282	40	30		IKEBRM
C=CCOc1ccc(Br)cc1/C=C(\Sc1nc2ccccc2[nH]1)C(=O)[O-]	ZINC000408634337	556011292	/nfs/dbraw/zinc/01/12/92/556011292.db2.gz	PVSYYFDHWJXKBB-BOPFTXTBSA-N	-1	0	431.311	5.108	40	30		IKEBRM
CCN1C(=O)/C(=C\c2cc(C(C)C)c(OC)cc2C)S/C1=N\c1ccc(C(=O)[O-])cc1	ZINC000035656316	556211319	/nfs/dbraw/zinc/21/13/19/556211319.db2.gz	PKUAQMDHAFRKHZ-XHFTXJRRSA-N	-1	0	438.549	5.449	40	30		IKEBRM
Cc1cc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(C)n1C	ZINC000009323757	556281743	/nfs/dbraw/zinc/28/17/43/556281743.db2.gz	FWRFGOIJOMUYSH-IKMQVZDESA-N	-1	0	445.544	5.144	40	30		IKEBRM
CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)[O-])cc3C)c2C)cc1	ZINC000408914347	556499628	/nfs/dbraw/zinc/49/96/28/556499628.db2.gz	PIHGNHBTPWWAJI-JVWAILMASA-N	-1	0	432.520	5.808	40	30		IKEBRM
Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1[O-]	ZINC000032112056	556530879	/nfs/dbraw/zinc/53/08/79/556530879.db2.gz	CAXQQADHKDZHHV-DHRITJCHSA-N	-1	0	429.432	5.666	40	30		IKEBRM
CCCCC(=O)Nc1ccc(/N=C/c2cc(Cl)cc(Br)c2[O-])cc1OC	ZINC000032115164	556531552	/nfs/dbraw/zinc/53/15/52/556531552.db2.gz	DLXSZALWMONLTO-SSDVNMTOSA-N	-1	0	439.737	5.696	40	30		IKEBRM
Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408937547	556537352	/nfs/dbraw/zinc/53/73/52/556537352.db2.gz	GUSGKCUTLLMCRJ-LQKURTRISA-N	-1	0	428.919	6.863	40	30		IKEBRM
Cc1cc(/C=N/c2ccc(Br)cc2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408945853	556546446	/nfs/dbraw/zinc/54/64/46/556546446.db2.gz	ODZLUXJRTKIOQW-FOKLQQMPSA-N	-1	0	431.717	5.959	40	30		IKEBRM
COc1cc(/C=N\c2ccccc2Br)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000408963967	556569667	/nfs/dbraw/zinc/56/96/67/556569667.db2.gz	AWBYNAJOAUBOMW-CFRMEGHHSA-N	-1	0	440.293	5.486	40	30		IKEBRM
O=C([O-])c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1	ZINC000408969925	556582433	/nfs/dbraw/zinc/58/24/33/556582433.db2.gz	XBWXWQHIIBXLIZ-WGOQTCKBSA-N	-1	0	432.545	6.108	40	30		IKEBRM
O=C(Nc1ccc(/N=C/c2cccc([N+](=O)[O-])c2[O-])cc1)c1ccc(Cl)cc1Cl	ZINC000016384141	556604305	/nfs/dbraw/zinc/60/43/05/556604305.db2.gz	KZIADDGUWPHNDB-FOKLQQMPSA-N	-1	0	430.247	5.610	40	30		IKEBRM
O=C([O-])[C@H](CSC(c1ccccc1)c1ccccc1)/N=C/c1c(O)ccc2ccccc21	ZINC000016931483	556649241	/nfs/dbraw/zinc/64/92/41/556649241.db2.gz	VYRZOJFIXYKXLK-QQNPRBCQSA-N	-1	0	441.552	5.940	40	30		IKEBRM
[O-]c1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1Br	ZINC000408980337	556652593	/nfs/dbraw/zinc/65/25/93/556652593.db2.gz	VNOFQONPEMVGGU-ZMOGYAJESA-N	-1	0	441.394	7.077	40	30		IKEBRM
COc1ccc(N=Cc2c(CSc3ccc(Cl)cc3)[n-]n(-c3ccccc3)c2=O)cc1	ZINC000013923843	556661838	/nfs/dbraw/zinc/66/18/38/556661838.db2.gz	IGKBMPWOHFWLLO-CVKSISIWSA-N	-1	0	449.963	6.283	40	30		IKEBRM
Cc1cc(C)cc(C/N=C2\NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)S2)c1	ZINC000083316869	556663711	/nfs/dbraw/zinc/66/37/11/556663711.db2.gz	FQFYAFIRMXPZRE-MTJSOVHGSA-N	-1	0	432.501	5.022	40	30		IKEBRM
O=S(=O)([N-]/N=C\c1ccc(Cl)cc1Cl)c1cc(Cl)c(Cl)cc1Cl	ZINC000017379842	556676841	/nfs/dbraw/zinc/67/68/41/556676841.db2.gz	DWTDAHZAAFLAKG-SWNXQHNESA-N	-1	0	432.543	5.266	40	30		IKEBRM
O=C(Nc1cccc(/N=C/c2cc(Br)cc(Cl)c2[O-])c1)c1ccc(F)cc1	ZINC000000805976	556696921	/nfs/dbraw/zinc/69/69/21/556696921.db2.gz	RNCALSJFLYVAHX-BHGWPJFGSA-N	-1	0	447.691	5.950	40	30		IKEBRM
Cc1c(C=C2SC(=N)C(c3nccs3)=C2[O-])c2ccccc2n1Cc1cccc(C)c1	ZINC000136774457	556722514	/nfs/dbraw/zinc/72/25/14/556722514.db2.gz	XONUIYXPPCBQFA-XKSJYPCPSA-N	-1	0	443.597	6.181	40	30		IKEBRM
N=C1SC(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C([O-])=C1c1nccs1	ZINC000137151738	556723053	/nfs/dbraw/zinc/72/30/53/556723053.db2.gz	SSVHSOCGXZOHPM-BBBSXOBRSA-N	-1	0	437.502	5.048	40	30		IKEBRM
O=C([O-])c1cccc(COc2ccc(CN=Nc3ccc(C(F)(F)F)cn3)cc2Cl)c1	ZINC000409072912	556775852	/nfs/dbraw/zinc/77/58/52/556775852.db2.gz	WIQIKLWWIDJBDO-YPXUMCKCSA-N	-1	0	449.816	5.477	40	30		IKEBRM
O=C([O-])c1cccc(Cn2cc(CN=Nc3ccc(C(F)(F)F)cn3)c3ccccc32)c1	ZINC000409097002	556795071	/nfs/dbraw/zinc/79/50/71/556795071.db2.gz	LELWTQBEJAKUHO-IPBVOBEMSA-N	-1	0	438.409	5.248	40	30		IKEBRM
Cc1ccc(Oc2ccc(/N=C/c3cc([N+](=O)[O-])cc(Br)c3[O-])cc2)cc1	ZINC000409097391	556795103	/nfs/dbraw/zinc/79/51/03/556795103.db2.gz	NDAKZOXTQSYEEL-WSDLNYQXSA-N	-1	0	427.254	5.914	40	30		IKEBRM
Cc1ccccc1Oc1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])cc1	ZINC000409106053	556797197	/nfs/dbraw/zinc/79/71/97/556797197.db2.gz	QEIUDCXSNGNSON-WSDLNYQXSA-N	-1	0	427.254	5.914	40	30		IKEBRM
Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)S2)cc1	ZINC000408777943	556853828	/nfs/dbraw/zinc/85/38/28/556853828.db2.gz	MSCBZMCMHUSUKE-ODLFYWEKSA-N	-1	0	438.892	5.498	40	30		IKEBRM
Cc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(C)n1-c1ccccc1	ZINC000408790761	556856187	/nfs/dbraw/zinc/85/61/87/556856187.db2.gz	YJQKWRCDLGLLET-YCBMQGOFSA-N	-1	0	431.517	5.026	40	30		IKEBRM
C=CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(Cl)c2)C1=O	ZINC000408804394	556860239	/nfs/dbraw/zinc/86/02/39/556860239.db2.gz	FJNCXNAKVAJGMW-XSFVSMFZSA-N	-1	0	446.890	5.033	40	30		IKEBRM
COc1ccc([N+](=O)[O-])cc1/N=C\c1cc(C)n(-c2ccc(C(=O)[O-])c(Cl)c2)c1C	ZINC000408845101	556868579	/nfs/dbraw/zinc/86/85/79/556868579.db2.gz	FFVJOLBTPSXEQL-KSEXSDGBSA-N	-1	0	427.844	5.113	40	30		IKEBRM
Cc1cc(/C=N\c2ccc(Br)cc2C)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408847143	556869118	/nfs/dbraw/zinc/86/91/18/556869118.db2.gz	LTZONNWDXGFRDW-MYKKPKGFSA-N	-1	0	445.744	6.267	40	30		IKEBRM
Cc1cc(/N=C\c2ccc(-c3ccc(C)c(C(=O)[O-])c3)o2)ccc1I	ZINC000408858518	556871400	/nfs/dbraw/zinc/87/14/00/556871400.db2.gz	SQFRKXWBIUFRSD-JJFYIABZSA-N	-1	0	445.256	5.617	40	30		IKEBRM
C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)S/C1=N\c1ccccc1	ZINC000408873821	556875793	/nfs/dbraw/zinc/87/57/93/556875793.db2.gz	XEHFUEMNQQYANE-ANVNVQHLSA-N	-1	0	437.521	5.483	40	30		IKEBRM
CCCN1C(=O)/C(=C\c2ccc(-c3ccccc3C(=O)[O-])o2)S/C1=N/c1ccc(C)cc1	ZINC000409151386	556877216	/nfs/dbraw/zinc/87/72/16/556877216.db2.gz	BAADRSYLHVBKAC-ZBNITPKASA-N	-1	0	446.528	5.967	40	30		IKEBRM
C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)S/C1=N\c1ccccc1	ZINC000408914130	556889666	/nfs/dbraw/zinc/88/96/66/556889666.db2.gz	VNNUNKBXXSEHOG-OOBUQPIISA-N	-1	0	428.513	5.750	40	30		IKEBRM
C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)S/C1=N\c1ccccc1	ZINC000408914794	556889780	/nfs/dbraw/zinc/88/97/80/556889780.db2.gz	XSKBYCKJUVVCKE-SRFBBOOGSA-N	-1	0	445.500	5.666	40	30		IKEBRM
COc1ccccc1/C=C1\S/C(=N/c2ccccc2)N(Cc2ccc(C(=O)[O-])cc2)C1=O	ZINC000408918240	556891223	/nfs/dbraw/zinc/89/12/23/556891223.db2.gz	HWRQHMPGRTVFGZ-INCSMEFSSA-N	-1	0	444.512	5.198	40	30		IKEBRM
[O-]c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1Br	ZINC000408945938	556897385	/nfs/dbraw/zinc/89/73/85/556897385.db2.gz	XSLBOQDZPZXFRQ-CMSXCWRSSA-N	-1	0	445.360	6.732	40	30		IKEBRM
Cc1cc(/C=N/c2ccc(Br)c(C)c2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408955330	556899293	/nfs/dbraw/zinc/89/92/93/556899293.db2.gz	XZABWWMWGQAHEA-BHGWPJFGSA-N	-1	0	445.744	6.267	40	30		IKEBRM
Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)S2)c(C)c1	ZINC000408960108	556900068	/nfs/dbraw/zinc/90/00/68/556900068.db2.gz	BUJKYKGYIFXFOB-MTJSOVHGSA-N	-1	0	432.501	5.462	40	30		IKEBRM
Cc1cccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3ccc(C(=O)[O-])cc3)S2)c1	ZINC000408960859	556900145	/nfs/dbraw/zinc/90/01/45/556900145.db2.gz	OWWCVGMMQFLCBI-HMAPJEAMSA-N	-1	0	444.512	5.164	40	30		IKEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=Nc3cccc(F)c3)N(C)C2=O)o1	ZINC000408962448	556901304	/nfs/dbraw/zinc/90/13/04/556901304.db2.gz	SFYHMUSZOBBHTH-OBBBTXPFSA-N	-1	0	436.464	5.326	40	30		IKEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)o1	ZINC000409158425	556901582	/nfs/dbraw/zinc/90/15/82/556901582.db2.gz	RFAAJEUYHOCLDF-NHDPSOOVSA-N	-1	0	444.468	5.061	40	30		IKEBRM
COc1cc(/C=N/c2cccc(Br)c2)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000408967745	556903501	/nfs/dbraw/zinc/90/35/01/556903501.db2.gz	UJOUTOOKVBGRHP-ZMOGYAJESA-N	-1	0	440.293	5.486	40	30		IKEBRM
Cc1ccccc1Oc1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])cc1	ZINC000409063866	556940621	/nfs/dbraw/zinc/94/06/21/556940621.db2.gz	DZUQCURGQSMJPQ-WSDLNYQXSA-N	-1	0	427.254	5.914	40	30		IKEBRM
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)c1	ZINC000409069627	556944596	/nfs/dbraw/zinc/94/45/96/556944596.db2.gz	WMAXYAHVXQKNRE-SSDVNMTOSA-N	-1	0	447.672	6.259	40	30		IKEBRM
O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(Oc3ccccc3Cl)cc2)c1[O-]	ZINC000409108299	556959654	/nfs/dbraw/zinc/95/96/54/556959654.db2.gz	ZSFOGFVMVYVENJ-SSDVNMTOSA-N	-1	0	447.672	6.259	40	30		IKEBRM
CCCN1C(=O)/C(=C\c2ccc(-c3ccccc3C(=O)[O-])o2)S/C1=N/c1ccccc1	ZINC000409163522	556981448	/nfs/dbraw/zinc/98/14/48/556981448.db2.gz	SQFPQNTUMMRIMQ-KWZOLKRCSA-N	-1	0	432.501	5.659	40	30		IKEBRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)o1	ZINC000409170721	556983056	/nfs/dbraw/zinc/98/30/56/556983056.db2.gz	XFYBKDXSOTZPFL-NHDPSOOVSA-N	-1	0	444.468	5.061	40	30		IKEBRM
CCOc1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc(Cl)c1[O-]	ZINC000409174930	556990039	/nfs/dbraw/zinc/99/00/39/556990039.db2.gz	VVRTUWZDWYPFJW-MUFRIFMGSA-N	-1	0	442.902	6.994	40	30		IKEBRM
O=C([O-])COc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Br	ZINC000409199906	556998997	/nfs/dbraw/zinc/99/89/97/556998997.db2.gz	FOHUUHZFVWIXOY-YDZHTSKRSA-N	-1	0	426.266	5.455	40	30		IKEBRM
Cc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)cc1C	ZINC000409202211	557001273	/nfs/dbraw/zinc/00/12/73/557001273.db2.gz	QDEBGCYNYXONFH-DHRITJCHSA-N	-1	0	438.321	6.094	40	30		IKEBRM
COc1cccc(/C=N\c2ccc(Cl)cc2Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409188268	557009256	/nfs/dbraw/zinc/00/92/56/557009256.db2.gz	YBDUBEBCEIMDGQ-ROTLSHHCSA-N	-1	0	430.287	6.030	40	30		IKEBRM
Cc1c(Cl)cccc1/N=C/c1c(OCc2ccc(C(=O)[O-])cc2)ccc2ccccc21	ZINC000409200755	557014072	/nfs/dbraw/zinc/01/40/72/557014072.db2.gz	JABVJXKQXYBJRU-RWPZCVJISA-N	-1	0	429.903	6.829	40	30		IKEBRM
Cc1ccc(/N=C/c2c(OCc3ccc(C(=O)[O-])cc3)ccc3ccccc32)cc1Cl	ZINC000409202052	557014647	/nfs/dbraw/zinc/01/46/47/557014647.db2.gz	OIWHBVWPZSCCPR-RWPZCVJISA-N	-1	0	429.903	6.829	40	30		IKEBRM
COc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)cc1	ZINC000409209062	557020292	/nfs/dbraw/zinc/02/02/92/557020292.db2.gz	FMMYYCNAFIFMEB-ZMOGYAJESA-N	-1	0	440.293	5.486	40	30		IKEBRM
CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409211222	557023526	/nfs/dbraw/zinc/02/35/26/557023526.db2.gz	LFIFELBUMIMLRZ-MZJWZYIUSA-N	-1	0	437.923	6.383	40	30		IKEBRM
Cc1cccc(/N=C/c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)c1C	ZINC000409211167	557023569	/nfs/dbraw/zinc/02/35/69/557023569.db2.gz	IELOQZKMHOOUMK-RPPGKUMJSA-N	-1	0	428.315	6.638	40	30		IKEBRM
COc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)cc1	ZINC000409217105	557031537	/nfs/dbraw/zinc/03/15/37/557031537.db2.gz	RRWSTNNPTCXPRZ-ZMOGYAJESA-N	-1	0	440.293	5.486	40	30		IKEBRM
Cc1ccc(N=C2NC(=O)/C(=C/c3cccc(OCc4ccc(C(=O)[O-])cc4)c3)S2)cc1	ZINC000408533921	557032298	/nfs/dbraw/zinc/03/22/98/557032298.db2.gz	SYFDFMHPWQWNJE-HMAPJEAMSA-N	-1	0	444.512	5.164	40	30		IKEBRM
Cc1ccc(N=Nc2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)cc2)cc1	ZINC000408534830	557032579	/nfs/dbraw/zinc/03/25/79/557032579.db2.gz	MQCHFRWKJYSVHF-LSTNGTEHSA-N	-1	0	439.475	5.320	40	30		IKEBRM
N#Cc1ccccc1COc1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])cc1	ZINC000408632648	557073975	/nfs/dbraw/zinc/07/39/75/557073975.db2.gz	GHSPYQWJNSSLGZ-XKZIYDEJSA-N	-1	0	427.485	5.231	40	30		IKEBRM
N#Cc1ccccc1COc1ccccc1/C=C(\Sc1nc2ccccc2o1)C(=O)[O-]	ZINC000408634359	557076403	/nfs/dbraw/zinc/07/64/03/557076403.db2.gz	PZDBZCQOPRZLLH-XKZIYDEJSA-N	-1	0	428.469	5.496	40	30		IKEBRM
COc1cccc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)c1O[C@H](C)C(=O)[O-]	ZINC000409240915	557079785	/nfs/dbraw/zinc/07/97/85/557079785.db2.gz	VKKBHJUCJGOWET-PVLQNKMRSA-N	-1	0	425.868	5.743	40	30		IKEBRM
Cc1cc(/C=N/c2ccc(C)c(Cl)c2)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000409384929	557092147	/nfs/dbraw/zinc/09/21/47/557092147.db2.gz	GNQSAODRLIRVRG-BRJLIKDPSA-N	-1	0	426.969	6.445	40	30		IKEBRM
CCCCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1	ZINC000408674208	557096849	/nfs/dbraw/zinc/09/68/49/557096849.db2.gz	YHNNOKQOOPIQMH-UHFFFAOYSA-N	-1	0	438.568	6.497	40	30		IKEBRM
N#Cc1c(/N=C/c2ccc([O-])c(Br)c2)oc(-c2ccccc2)c1-c1ccccc1	ZINC000408723189	557136708	/nfs/dbraw/zinc/13/67/08/557136708.db2.gz	ONQYKVYQELTWLT-JFLMPSFJSA-N	-1	0	443.300	6.704	40	30		IKEBRM
COc1cc(/C=N/c2cccc(Br)c2)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000409384852	557141295	/nfs/dbraw/zinc/14/12/95/557141295.db2.gz	FNSDNCPHNWFJKX-SSDVNMTOSA-N	-1	0	430.254	5.079	40	30		IKEBRM
Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2C)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000409384937	557141371	/nfs/dbraw/zinc/14/13/71/557141371.db2.gz	GTNATSOZLANBQR-WYMPLXKRSA-N	-1	0	437.521	5.700	40	30		IKEBRM
COc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000409386623	557141915	/nfs/dbraw/zinc/14/19/15/557141915.db2.gz	VWVYJBWFEIHAHG-JVWAILMASA-N	-1	0	442.471	6.060	40	30		IKEBRM
N#Cc1c2c(sc1/N=C/c1cc(Cl)cc(I)c1[O-])CCCC2	ZINC000408739913	557148600	/nfs/dbraw/zinc/14/86/00/557148600.db2.gz	GIVUYNGWFJRLPX-DNTJNYDQSA-N	-1	0	442.709	5.213	40	30		IKEBRM
CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4[O-])o3)S2)cc1	ZINC000408761137	557175551	/nfs/dbraw/zinc/17/55/51/557175551.db2.gz	IEWNTXMJKZXKID-NDENLUEZSA-N	-1	0	435.461	5.014	40	30		IKEBRM
Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2)c(C)n1-c1ccc(I)cc1	ZINC000408778166	557203258	/nfs/dbraw/zinc/20/32/58/557203258.db2.gz	PWBQBHLMWZWTFN-WSDLNYQXSA-N	-1	0	444.272	5.148	40	30		IKEBRM
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@@H]1OC(=O)C(O)=C1[O-]	ZINC000100590636	557265681	/nfs/dbraw/zinc/26/56/81/557265681.db2.gz	LITUBCVUXPBCGA-CVDCTZTESA-N	-1	0	442.593	5.405	40	30	endogenous,in-man	IKEBRM
CC[C@H](C)c1ccc2oc(-c3ccc(/N=C\c4cc(Cl)cc([N+](=O)[O-])c4[O-])cc3)nc2c1	ZINC000100953474	557279678	/nfs/dbraw/zinc/27/96/78/557279678.db2.gz	ULOYTUVYXLVYLM-ASBHVJNYSA-N	-1	0	449.894	7.026	40	30		IKEBRM
CCCCCCCCCCCCSC(=S)[N-]C1c2ccccc2Oc2ccccc21	ZINC000104249254	557323392	/nfs/dbraw/zinc/32/33/92/557323392.db2.gz	LZYYDZKWKYBVJG-UHFFFAOYSA-N	-1	0	441.706	8.410	40	30		IKEBRM
O=C(CC/C(C/C(=N/[O-])c1ccc(F)cc1)=N\O)N(Cc1ccccc1)Cc1ccccc1	ZINC000104283321	557324035	/nfs/dbraw/zinc/32/40/35/557324035.db2.gz	NWEHDIQJVKGIOJ-CIMIHRMLSA-N	-1	0	447.510	5.234	40	30		IKEBRM
CCCCCCCCCCCCC[C@@H](CCCCCCCCCCC)C[C@H](C)C(=O)[O-]	ZINC000105406322	557331490	/nfs/dbraw/zinc/33/14/90/557331490.db2.gz	JFXBYIDWKXORSN-WUFINQPMSA-N	-1	0	438.781	10.335	40	30		IKEBRM
COc1cc(/C=N\c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000015227112	557460590	/nfs/dbraw/zinc/46/05/90/557460590.db2.gz	FNPJMKFKRIOTNQ-ROTLSHHCSA-N	-1	0	430.287	6.030	40	30		IKEBRM
O=C([O-])c1cc(Cl)ccc1-c1ccc(/C=N/c2c(-c3ccco3)nc3ccccn32)o1	ZINC000016545913	557474369	/nfs/dbraw/zinc/47/43/69/557474369.db2.gz	HLCIHLXSOFTACF-DHRITJCHSA-N	-1	0	431.835	5.957	40	30		IKEBRM
CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Cl)cc(Br)c2[O-])c1	ZINC000016637014	557474964	/nfs/dbraw/zinc/47/49/64/557474964.db2.gz	AQPNTTKSTOAMDL-ZVBGSRNCSA-N	-1	0	430.129	5.951	40	30		IKEBRM
O=C([O-])COc1cccc(/C=C2/S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c1	ZINC000017100384	557489075	/nfs/dbraw/zinc/48/90/75/557489075.db2.gz	MRYAVTGIDHXNGI-LPCFMYKTSA-N	-1	0	436.533	5.087	40	30		IKEBRM
N#Cc1ccccc1Cn1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])c2ccccc21	ZINC000033490609	557808970	/nfs/dbraw/zinc/80/89/70/557808970.db2.gz	RCDCKKNRFMINJJ-UZSQBTMGSA-N	-1	0	440.553	5.436	40	30		IKEBRM
COc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000059249684	557819182	/nfs/dbraw/zinc/81/91/82/557819182.db2.gz	KUZRDYXOHMPRIZ-WYMPLXKRSA-N	-1	0	440.839	5.285	40	30		IKEBRM
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cc(Cl)cc(Cl)c1[O-]	ZINC000059387303	557822343	/nfs/dbraw/zinc/82/23/43/557822343.db2.gz	TXHQEGPGDODSBX-UHFFFAOYSA-N	-1	0	434.363	5.672	40	30		IKEBRM
O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000059566842	557824327	/nfs/dbraw/zinc/82/43/27/557824327.db2.gz	RYFUTQRQGGMDHC-XGICHPGQSA-N	-1	0	444.683	5.152	40	30		IKEBRM
COc1ccc(Cl)cc1/N=C/c1ccc(OCc2cccc(C(=O)[O-])c2)c(OC)c1	ZINC000059678469	557828318	/nfs/dbraw/zinc/82/83/18/557828318.db2.gz	QSFOXZFRFNUYHH-DHRITJCHSA-N	-1	0	425.868	5.385	40	30		IKEBRM
O=C([O-])Oc1cccc(/C=C2/S/C(=N/Cc3ccccc3)N(C3CCCCC3)C2=O)c1	ZINC000028640860	568864564	/nfs/dbraw/zinc/86/45/64/568864564.db2.gz	YAGLYSNBIHAEMK-DIRPYQRSSA-N	-1	0	436.533	5.549	40	30		IKEBRM
C=C(C)[C@H]1C[C@H](c2ccccc2Cl)[C@H](C)O[C@@H]1c1cc(CC(=O)[O-])ccc1OCC	ZINC000585263966	568873642	/nfs/dbraw/zinc/87/36/42/568873642.db2.gz	RDJKRBMESGXLGW-HOKASXAUSA-N	-1	0	428.956	6.192	40	30		IKEBRM
C=C(C)[C@H]1C[C@@H](c2ccc(Cl)cc2)[C@H](C)O[C@@H]1c1cc(CC(=O)[O-])ccc1OCCC	ZINC000585263922	568873648	/nfs/dbraw/zinc/87/36/48/568873648.db2.gz	HBFOECQEILVULC-ZLDNNBEGSA-N	-1	0	442.983	6.582	40	30		IKEBRM
C=C(C)[C@H]1C[C@@H](c2ccccc2Cl)[C@H](C)O[C@@H]1c1cc(C(=O)[O-])ccc1OCCCC	ZINC000585263996	568873650	/nfs/dbraw/zinc/87/36/50/568873650.db2.gz	WNDPMJWDANZPBO-OFQSIMQFSA-N	-1	0	442.983	7.043	40	30		IKEBRM
C=C1C(=O)C(=O)C(CCCCCCCCCCCCC[C@@H]2O[C@@H]2CCCC)=C([O-])C1O	ZINC000100502366	568904647	/nfs/dbraw/zinc/90/46/47/568904647.db2.gz	CQYLCXGDVUAPIN-YADHBBJMSA-N	-1	0	434.617	6.811	40	30		IKEBRM
N=C1SC(=Cc2ccc(OCc3ccccc3Cl)cc2)C([O-])=C1c1nccs1	ZINC000033629241	569261724	/nfs/dbraw/zinc/26/17/24/569261724.db2.gz	LCPNNUXGRMQEKF-KIMFWDJISA-N	-1	0	426.950	5.793	40	30		IKEBRM
CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc([N+](=O)[O-])cc(C)c4[O-])c3)nc2c1	ZINC000038180037	569262110	/nfs/dbraw/zinc/26/21/10/569262110.db2.gz	BPQSEHOYMGGIIB-IXORVSQSSA-N	-1	0	429.476	6.681	40	30		IKEBRM
CCc1nnc(C2=C([O-])C(=Cc3ccc(OCC(C)C)c4ccccc34)SC2=N)s1	ZINC000107658269	569262301	/nfs/dbraw/zinc/26/23/01/569262301.db2.gz	IMDSMROLARKMDM-PYXFXZIOSA-N	-1	0	437.590	5.706	40	30		IKEBRM
CCCCCCCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1	ZINC000108182755	569262471	/nfs/dbraw/zinc/26/24/71/569262471.db2.gz	KGDWKBPGNZQSHO-OQKWZONESA-N	-1	0	438.499	5.231	40	30		IKEBRM
N#Cc1ccccc1Cn1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])c2ccccc21	ZINC000137922426	569262585	/nfs/dbraw/zinc/26/25/85/569262585.db2.gz	RCDCKKNRFMINJJ-PWHRVSNJSA-N	-1	0	440.553	5.436	40	30		IKEBRM
CCc1nnc(C2=C([O-])C(=Cc3cc(C)n(-c4cccc(Cl)c4)c3C)SC2=N)s1	ZINC000137613018	569262590	/nfs/dbraw/zinc/26/25/90/569262590.db2.gz	WTAFIAOERBNUDQ-YMJAZQHQSA-N	-1	0	442.997	5.579	40	30		IKEBRM
CCCCCCC[C@H](/C=C/CCCCCCCC(=O)OCCCCC)S(=O)(=O)[O-]	ZINC000299888651	569283849	/nfs/dbraw/zinc/28/38/49/569283849.db2.gz	RRUXVNIIXRLORS-JIKIWWBOSA-N	-1	0	432.667	6.624	40	30		IKEBRM
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc(OC(F)(F)C(F)F)cc2)c1	ZINC000015134737	569382067	/nfs/dbraw/zinc/38/20/67/569382067.db2.gz	GXRKZAHPNVKLHZ-QPSGOUHRSA-N	-1	0	437.143	5.050	40	30		IKEBRM
Cc1ccc2nc(-c3ccc(C)c(/N=C/c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4[O-])c3)oc2c1	ZINC000003068842	569439799	/nfs/dbraw/zinc/43/97/99/569439799.db2.gz	ZTVGOTRUOQKSSX-FOKLQQMPSA-N	-1	0	432.392	5.384	40	30		IKEBRM
C=C(C(=O)[O-])C(=O)c1cccc(CCCCCCCCCCCCCCCCCC)c1	ZINC000100307970	518584401	/nfs/dbraw/zinc/58/44/01/518584401.db2.gz	OZIGHNVFXHALAU-UHFFFAOYSA-N	-1	0	428.657	8.314	40	30		IKEBRM
CC(C)(C)c1csc(-n2[n-]c(-c3ccccc3)c(N=Nc3ccc(Cl)cc3)c2=O)n1	ZINC000013601498	519083167	/nfs/dbraw/zinc/08/31/67/519083167.db2.gz	ZJLLTRLQOBOFHJ-LGUFXXKBSA-N	-1	0	437.956	5.313	40	30		IKEBRM
CCCCCCCCCCC=C1C(=O)C(=Nc2c(Cl)cccc2Cl)C=C([O-])C1O	ZINC000100392807	519985763	/nfs/dbraw/zinc/98/57/63/519985763.db2.gz	GQEATNVCYDMOEM-UHFFFAOYSA-N	-1	0	438.395	7.174	40	30	biogenic,in-vitro	IKEBRM
CCCCCCCCCCCCCCCCCc1cc(=O)oc2c(F)c([O-])c(F)cc12	ZINC000095696906	519999376	/nfs/dbraw/zinc/99/93/76/519999376.db2.gz	NPAXHBPKJZIWIO-UHFFFAOYSA-N	-1	0	436.583	8.191	40	30		IKEBRM
CCCCCCCCCCCC[C@H](Oc1ccc(OC(C)=O)c(CC(C)C)c1)C(=O)[O-]	ZINC000111882105	520014074	/nfs/dbraw/zinc/01/40/74/520014074.db2.gz	LMGNFMQANDKMEB-VWLOTQADSA-N	-1	0	434.617	6.953	40	30		IKEBRM
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cc([N+](=O)[O-])c([O-])cc1Cl	ZINC000036237485	520269997	/nfs/dbraw/zinc/26/99/97/520269997.db2.gz	UTEVFRQZRBWQID-XMMPIXPASA-N	-1	0	448.906	6.417	40	30		IKEBRM
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cc([N+](=O)[O-])c([O-])cc1Cl	ZINC000036237483	520270780	/nfs/dbraw/zinc/27/07/80/520270780.db2.gz	UTEVFRQZRBWQID-DEOSSOPVSA-N	-1	0	448.906	6.417	40	30		IKEBRM
CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CC(C)=C(C)C[C@@H]3C(=O)[O-])sc2C1	ZINC000017096127	521366311	/nfs/dbraw/zinc/36/63/11/521366311.db2.gz	QDCGXDOIVZLMAF-JQHSSLGASA-N	-1	0	428.598	5.547	40	30		IKEBRM
COC(=O)c1cccc(/N=C/c2cc(C)n(-c3sc4c(c3C(=O)[O-])CCCC4)c2C)c1	ZINC000100992654	522190206	/nfs/dbraw/zinc/19/02/06/522190206.db2.gz	GYTBIAYMKLVOOZ-DHRITJCHSA-N	-1	0	436.533	5.270	40	30		IKEBRM
O=C(CC/C(C/C(=N\[O-])c1ccc(F)cc1)=N/O)N(Cc1ccccc1)Cc1ccccc1	ZINC000104283317	526325161	/nfs/dbraw/zinc/32/51/61/526325161.db2.gz	NWEHDIQJVKGIOJ-JEUVFDQPSA-N	-1	0	447.510	5.234	40	30		IKEBRM
Cc1sc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)[O-])c(C#N)c1-c1ccc(C(C)C)cc1	ZINC000035897662	526882691	/nfs/dbraw/zinc/88/26/91/526882691.db2.gz	USOLBVYBTREFQK-KSCDAYEDSA-N	-1	0	434.561	5.570	40	30		IKEBRM
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc(N3CCCCC3)c(Cl)c2)c1	ZINC000016384304	527325969	/nfs/dbraw/zinc/32/59/69/527325969.db2.gz	NQIHZPVXWJPHMT-SRZZPIQSSA-N	-1	0	438.709	5.457	40	30		IKEBRM
O=C([O-])[C@@H](CSC(c1ccccc1)c1ccccc1)/N=C/c1c(O)ccc2ccccc21	ZINC000001870694	527647097	/nfs/dbraw/zinc/64/70/97/527647097.db2.gz	VYRZOJFIXYKXLK-MRAZWZEMSA-N	-1	0	441.552	5.940	40	30		IKEBRM
COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(C(=O)[O-])cc3C)c3ccccc32)c1	ZINC000408544116	555791475	/nfs/dbraw/zinc/79/14/75/555791475.db2.gz	SBLXHQDWYPVSFM-MZJWZYIUSA-N	-1	0	426.472	5.233	40	30		IKEBRM
Cc1ccc(N=NC(=C([O-])c2cccc3ccccc32)S(=O)(=O)c2ccccc2)cc1	ZINC000004292665	555983708	/nfs/dbraw/zinc/98/37/08/555983708.db2.gz	WXGBAPBWMSPXKT-RFBIWTDZSA-N	-1	0	428.513	5.230	40	30		IKEBRM
Cc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])c(C)n1-c1ccc(C(C)(C)C)cc1	ZINC000035242591	556037456	/nfs/dbraw/zinc/03/74/56/556037456.db2.gz	VEMWTKDRONDLNC-JDTRZHCYSA-N	-1	0	435.618	6.266	40	30		IKEBRM
CCN1C(=O)/C(=C\c2cc(C(C)C)c(OC)cc2C)S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000035656559	556212297	/nfs/dbraw/zinc/21/22/97/556212297.db2.gz	ZMTWQXSLMWSJET-XHFTXJRRSA-N	-1	0	438.549	5.449	40	30		IKEBRM
COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000009311485	556279690	/nfs/dbraw/zinc/27/96/90/556279690.db2.gz	LSXATXKKAPZBLS-JUMVDPBBSA-N	-1	0	444.512	5.198	40	30		IKEBRM
O=C([O-])c1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1	ZINC000408906160	556493332	/nfs/dbraw/zinc/49/33/32/556493332.db2.gz	ARIJCJNGAVUCJK-RZZGQMAMSA-N	-1	0	428.513	5.232	40	30		IKEBRM
Cc1ccc(/N=C2\S/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)C(=O)N2Cc2ccccc2)cc1	ZINC000408911138	556495896	/nfs/dbraw/zinc/49/58/96/556495896.db2.gz	JAGDLISUVCINPU-QMSJJHEMSA-N	-1	0	445.500	5.413	40	30		IKEBRM
Cc1c(/N=C2\S/C(=C\c3cn(C(C)C)c4ccccc34)C(=O)N2C)cccc1C(=O)[O-]	ZINC000408930776	556524135	/nfs/dbraw/zinc/52/41/35/556524135.db2.gz	BVWVXIMVMWTRIO-DLVSTPSBSA-N	-1	0	433.533	5.463	40	30		IKEBRM
Cc1cc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c([O-])c([N+](=O)[O-])c1	ZINC000032114625	556531166	/nfs/dbraw/zinc/53/11/66/556531166.db2.gz	IUTVBZOQDOKDPJ-DHRITJCHSA-N	-1	0	429.432	5.666	40	30		IKEBRM
CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)S2)cc1	ZINC000408951405	556548967	/nfs/dbraw/zinc/54/89/67/556548967.db2.gz	JCVZYMJWTGCCQZ-FYJGNVAPSA-N	-1	0	448.500	5.244	40	30		IKEBRM
Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)S2)c1C	ZINC000408963215	556568813	/nfs/dbraw/zinc/56/88/13/556568813.db2.gz	XYVXEPQHFFVMNN-MTJSOVHGSA-N	-1	0	432.501	5.462	40	30		IKEBRM
O=C([O-])c1ccccc1NN=Cc1ccccc1OCc1ccc(Br)cc1	ZINC000033889539	556569006	/nfs/dbraw/zinc/56/90/06/556569006.db2.gz	UTHZSAPTYAGCAN-QRVIBDJDSA-N	-1	0	425.282	5.172	40	30		IKEBRM
Cc1cc(/C=N/c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c([O-])c([N+](=O)[O-])c1	ZINC000016267615	556595861	/nfs/dbraw/zinc/59/58/61/556595861.db2.gz	WWTSLEJFMRAPHO-CVKSISIWSA-N	-1	0	431.492	5.909	40	30		IKEBRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc3oc(-c4cccc5ccccc54)nc3c2)c1[O-]	ZINC000016545085	556614599	/nfs/dbraw/zinc/61/45/99/556614599.db2.gz	KIQRXJZBYBFUDX-LGJNPRDNSA-N	-1	0	443.846	6.666	40	30		IKEBRM
CCCC(=O)Nc1ccc(/N=C/c2cc(Cl)cc(Br)c2[O-])cc1Cl	ZINC000016637207	556618837	/nfs/dbraw/zinc/61/88/37/556618837.db2.gz	MYWSGKIWEUGBMN-ZVBGSRNCSA-N	-1	0	430.129	5.951	40	30		IKEBRM
CCOC(=O)c1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc([N+](=O)[O-])c2[O-])cc1	ZINC000016687802	556625743	/nfs/dbraw/zinc/62/57/43/556625743.db2.gz	TXDWURXABAFTBA-AFUMVMLFSA-N	-1	0	438.867	5.472	40	30		IKEBRM
COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])ccc1OCc1ccccc1C#N	ZINC000135824225	556720716	/nfs/dbraw/zinc/72/07/16/556720716.db2.gz	DRBZEPUQUANTNL-CRDFWNHQSA-N	-1	0	447.541	5.020	40	30		IKEBRM
CCc1nnc(C2=C([O-])C(=Cc3ccc(OCc4ccc(F)cc4)cc3)SC2=N)s1	ZINC000135843119	556721187	/nfs/dbraw/zinc/72/11/87/556721187.db2.gz	VGVYKRXCCGZXRO-ANFUGJHOSA-N	-1	0	439.537	5.236	40	30		IKEBRM
N=C1SC(=Cc2c(OCc3ccccc3)ccc3ccccc32)C([O-])=C1c1nccs1	ZINC000135941479	556721231	/nfs/dbraw/zinc/72/12/31/556721231.db2.gz	FJXLOMPOIPDVBT-JQHCICQGSA-N	-1	0	442.565	6.293	40	30		IKEBRM
CCc1nnc(C2=C([O-])C(=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)SC2=N)s1	ZINC000136249939	556722240	/nfs/dbraw/zinc/72/22/40/556722240.db2.gz	BQFQPHFRRGAEBR-XCBKRSKDSA-N	-1	0	443.638	5.819	40	30		IKEBRM
CCc1nnc(C2=C([O-])C(=Cc3cc(C)n(-c4ccc(C)c(C)c4)c3C)SC2=N)s1	ZINC000137045227	556723013	/nfs/dbraw/zinc/72/30/13/556723013.db2.gz	JYDOMNITMMCAAR-IXPXTECGSA-N	-1	0	436.606	5.543	40	30		IKEBRM
CN1C(=O)/C(=C\c2c3ccccc3cc3ccccc32)S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000409056299	556759280	/nfs/dbraw/zinc/75/92/80/556759280.db2.gz	CJSDYDXUZSUUMS-GZFRWTSMSA-N	-1	0	438.508	5.925	40	30		IKEBRM
O=C([O-])c1cccc(-n2cccc2/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000409094479	556794073	/nfs/dbraw/zinc/79/40/73/556794073.db2.gz	FNWFAFGUNMNAPH-PCLIKHOPSA-N	-1	0	443.484	5.986	40	30		IKEBRM
Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cccn2-c2cccc(C(=O)[O-])c2)S1	ZINC000409102572	556795941	/nfs/dbraw/zinc/79/59/41/556795941.db2.gz	YRCJPAIGFAJKCX-UNOMPAQXSA-N	-1	0	437.908	5.029	40	30		IKEBRM
[O-]c1c(Br)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(F)cc3)nc2c1	ZINC000008935003	556852646	/nfs/dbraw/zinc/85/26/46/556852646.db2.gz	MEULEEHJVMPQMI-YSURURNPSA-N	-1	0	445.675	6.506	40	30		IKEBRM
CN1C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)S/C1=N/c1ccc(C(=O)[O-])cc1	ZINC000408799382	556857747	/nfs/dbraw/zinc/85/77/47/556857747.db2.gz	YZYYYODHEUVBGS-DMYTXEOQSA-N	-1	0	436.514	5.363	40	30		IKEBRM
Cc1cc(/C=N\c2ccc(C)cc2Br)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408820834	556866176	/nfs/dbraw/zinc/86/61/76/556866176.db2.gz	ZHEKBBJHYBTQBB-MYKKPKGFSA-N	-1	0	445.744	6.267	40	30		IKEBRM
COc1cc(/C=N\c2cccc(Cl)c2Cl)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000408849741	556870453	/nfs/dbraw/zinc/87/04/53/556870453.db2.gz	YGEUBAMGTWELDF-ROTLSHHCSA-N	-1	0	430.287	6.030	40	30		IKEBRM
Cc1ccc(-c2ccc(/C=N\c3cccc(I)c3)o2)cc1C(=O)[O-]	ZINC000408856830	556871180	/nfs/dbraw/zinc/87/11/80/556871180.db2.gz	LPJDHGDHEOZHBJ-NHDPSOOVSA-N	-1	0	431.229	5.308	40	30		IKEBRM
CC(C)CN1C(=O)/C(=C\c2ccc(-c3ccccc3C(=O)[O-])o2)S/C1=N/c1ccccc1	ZINC000409154985	556879323	/nfs/dbraw/zinc/87/93/23/556879323.db2.gz	LBJZKEDSMZNZDG-GNPNYKALSA-N	-1	0	446.528	5.905	40	30		IKEBRM
Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408934074	556895289	/nfs/dbraw/zinc/89/52/89/556895289.db2.gz	CNEJTTFKEIYNCU-WMDMUMDLSA-N	-1	0	436.821	5.306	40	30		IKEBRM
Cc1cc(/C=N/N(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408937478	556897007	/nfs/dbraw/zinc/89/70/07/556897007.db2.gz	GPUZZNRQDONVBM-OGLMXYFKSA-N	-1	0	443.934	6.618	40	30		IKEBRM
Cc1cc(/C=N\c2ccc(Br)cc2C)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408946688	556898298	/nfs/dbraw/zinc/89/82/98/556898298.db2.gz	PKFRZWGUVSMIEE-MYKKPKGFSA-N	-1	0	445.744	6.267	40	30		IKEBRM
Cc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408952814	556898775	/nfs/dbraw/zinc/89/87/75/556898775.db2.gz	VXQKXDJWABZAAF-LQKURTRISA-N	-1	0	443.934	6.940	40	30		IKEBRM
O=C([O-])c1ccc(-c2ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)o2)cc1Cl	ZINC000409040222	556929067	/nfs/dbraw/zinc/92/90/67/556929067.db2.gz	SPLSPQQQDCBYLI-UMDHDWCXSA-N	-1	0	432.679	5.012	40	30		IKEBRM
CCCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccc(C(=O)[O-])cc2)N(C)C1=O	ZINC000409056655	556934215	/nfs/dbraw/zinc/93/42/15/556934215.db2.gz	HTJABWULWPXLGU-JUMVDPBBSA-N	-1	0	446.528	5.561	40	30		IKEBRM
CCN1C(=O)/C(=C\c2cc(Cl)ccc2OC(C)C)S/C1=N\c1ccc(C(=O)[O-])cc1	ZINC000409059374	556936420	/nfs/dbraw/zinc/93/64/20/556936420.db2.gz	WVSSMOFEQDFTRV-RVFNTIOESA-N	-1	0	444.940	5.449	40	30		IKEBRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1	ZINC000409099661	556954701	/nfs/dbraw/zinc/95/47/01/556954701.db2.gz	SPTQMZWJIUUWKM-YSURURNPSA-N	-1	0	433.342	5.326	40	30		IKEBRM
COc1cccc(/C=N\c2ccccc2Br)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409186509	556991114	/nfs/dbraw/zinc/99/11/14/556991114.db2.gz	DAVJPEMHWCVFQT-CFRMEGHHSA-N	-1	0	440.293	5.486	40	30		IKEBRM
Cc1cc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409208844	556998073	/nfs/dbraw/zinc/99/80/73/556998073.db2.gz	DQCDXFXJYIEDIW-LQKURTRISA-N	-1	0	444.918	6.989	40	30		IKEBRM
CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc([N+](=O)[O-])c1[O-]	ZINC000409209255	556998224	/nfs/dbraw/zinc/99/82/24/556998224.db2.gz	IJQSTGDCNVEPBF-HZZGJGATSA-N	-1	0	427.526	5.534	40	30		IKEBRM
Cc1ccc(Cl)cc1/N=C/c1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1	ZINC000409200350	556999491	/nfs/dbraw/zinc/99/94/91/556999491.db2.gz	ICURSFLCYOEQPC-KBKYJPHKSA-N	-1	0	448.733	6.983	40	30		IKEBRM
COc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)cc1	ZINC000409200565	556999864	/nfs/dbraw/zinc/99/98/64/556999864.db2.gz	IFISBSVSEDATHW-BRJLIKDPSA-N	-1	0	430.287	6.030	40	30		IKEBRM
CCN(CC)c1ccc(/N=C/c2cccc(OC)c2OCc2ccc(C(=O)[O-])cc2)cc1	ZINC000409187385	557006706	/nfs/dbraw/zinc/00/67/06/557006706.db2.gz	PTSBOGSTMQKFQW-WPWMEQJKSA-N	-1	0	432.520	5.569	40	30		IKEBRM
COc1cccc(/C=N\c2cc(C)c(C)c([N+](=O)[O-])c2)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409186531	557006779	/nfs/dbraw/zinc/00/67/79/557006779.db2.gz	DIHRCEHKBCFAOR-MXAYSNPKSA-N	-1	0	434.448	5.248	40	30		IKEBRM
[O-]c1c(Br)cc(Br)cc1/C=N/c1ccc(Oc2ccccc2)cc1	ZINC000409213159	557007589	/nfs/dbraw/zinc/00/75/89/557007589.db2.gz	OVGYMDYHNVEGKC-WSDLNYQXSA-N	-1	0	447.126	6.460	40	30		IKEBRM
Cc1cc(/C=N\c2cccc(I)c2)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409215975	557010941	/nfs/dbraw/zinc/01/09/41/557010941.db2.gz	CQPCTJDOCGXNMR-UUYOSTAYSA-N	-1	0	444.272	5.148	40	30		IKEBRM
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)SC1=Nc1ccccc1	ZINC000409216742	557011658	/nfs/dbraw/zinc/01/16/58/557011658.db2.gz	LCHRXUZLAUJACK-JXJWTFEASA-N	-1	0	445.544	5.416	40	30		IKEBRM
Cc1ccc(C)c(/N=C/c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)c1	ZINC000409200155	557013267	/nfs/dbraw/zinc/01/32/67/557013267.db2.gz	HEIYPCUPYNLURN-RPPGKUMJSA-N	-1	0	428.315	6.638	40	30		IKEBRM
O=C([O-])COc1ccc(Br)cc1/C=N/c1ccc(Oc2ccccc2)cc1	ZINC000409202610	557013846	/nfs/dbraw/zinc/01/38/46/557013846.db2.gz	SBAWBGPXVVIGFI-YDZHTSKRSA-N	-1	0	426.266	5.455	40	30		IKEBRM
COc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409208803	557019979	/nfs/dbraw/zinc/01/99/79/557019979.db2.gz	CDARWVMLUQNJIX-ZMOGYAJESA-N	-1	0	440.293	5.486	40	30		IKEBRM
CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCC(=O)[O-]	ZINC000409210361	557022095	/nfs/dbraw/zinc/02/20/95/557022095.db2.gz	KLFQUMDHVRWDKX-AFUMVMLFSA-N	-1	0	425.868	5.745	40	30		IKEBRM
CC(C)/N=C1\S/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C(=O)N1C(C)C	ZINC000409210894	557022957	/nfs/dbraw/zinc/02/29/57/557022957.db2.gz	LZNOXKAPUXKRGS-DBOFRQRBSA-N	-1	0	432.929	5.387	40	30		IKEBRM
COc1ccccc1Oc1ccc(/N=C/c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)cc1	ZINC000409212451	557026208	/nfs/dbraw/zinc/02/62/08/557026208.db2.gz	QDFWQXWBSGJVLS-OGLMXYFKSA-N	-1	0	440.499	6.344	40	30		IKEBRM
Cc1cc(/C=C2\SC(=Nc3cccc(C)c3C)NC2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409218607	557032630	/nfs/dbraw/zinc/03/26/30/557032630.db2.gz	WDGKSJGPNXIDND-XKZIYDEJSA-N	-1	0	445.544	5.301	40	30		IKEBRM
Cc1ccc(N=Nc2ccc(NC=C3C(=O)[N-]C(=O)N(c4cccc(C)c4)C3=O)cc2)cc1	ZINC000408537372	557033381	/nfs/dbraw/zinc/03/33/81/557033381.db2.gz	VOAWKYRMZOMBMZ-LSTNGTEHSA-N	-1	0	439.475	5.320	40	30		IKEBRM
C=CCOc1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])cc1Br	ZINC000408632392	557073645	/nfs/dbraw/zinc/07/36/45/557073645.db2.gz	FLGYKTVRRCWVOH-BOPFTXTBSA-N	-1	0	431.311	5.108	40	30		IKEBRM
COc1cccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1O[C@@H](C)C(=O)[O-]	ZINC000409236516	557076840	/nfs/dbraw/zinc/07/68/40/557076840.db2.gz	SNWLRCYLQSTMKI-RAOLLXSISA-N	-1	0	433.548	5.766	40	30		IKEBRM
N#Cc1ccccc1-c1ccc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])o1	ZINC000408635172	557076932	/nfs/dbraw/zinc/07/69/32/557076932.db2.gz	XOHYLJOJKWXIGB-ODLFYWEKSA-N	-1	0	448.891	5.475	40	30		IKEBRM
N#Cc1ccccc1COc1ccccc1/C=C(\Sc1nc2ccccc2[nH]1)C(=O)[O-]	ZINC000408633008	557081747	/nfs/dbraw/zinc/08/17/47/557081747.db2.gz	IVIWBIPWDYOFBN-XKZIYDEJSA-N	-1	0	427.485	5.231	40	30		IKEBRM
CC[C@@H](C)c1ccc(/N=C/c2cc(C)n(-c3sc4c(c3C(=O)[O-])CCCC4)c2C)cc1	ZINC000409384686	557092180	/nfs/dbraw/zinc/09/21/80/557092180.db2.gz	FGHFLDDAEOYRLI-WJGWSCHNSA-N	-1	0	434.605	6.997	40	30		IKEBRM
CCCCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1	ZINC000408667026	557093970	/nfs/dbraw/zinc/09/39/70/557093970.db2.gz	AWUAQIJPVXPPCU-UHFFFAOYSA-N	-1	0	438.568	6.497	40	30		IKEBRM
Cc1cc(/C=N\c2ccc(Cl)cc2O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000409387410	557099026	/nfs/dbraw/zinc/09/90/26/557099026.db2.gz	WNNXERBYVLERGH-MYKKPKGFSA-N	-1	0	428.941	5.842	40	30		IKEBRM
CCCCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000100249851	557111955	/nfs/dbraw/zinc/11/19/55/557111955.db2.gz	KRWOECHNXKCWSI-UHFFFAOYSA-N	-1	0	432.590	5.137	40	30		IKEBRM
Cc1ccc(N=Nc2c(=O)n(-c3nc(-c4ccccc4)cs3)[n-]c2-c2ccccc2)cc1	ZINC000100530616	557115096	/nfs/dbraw/zinc/11/50/96/557115096.db2.gz	MHSBDNBGCKEARU-WEMUOSSPSA-N	-1	0	437.528	5.338	40	30		IKEBRM
COc1cc([N+](=O)[O-])cc(/C=N/c2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)c1[O-]	ZINC000100507158	557115754	/nfs/dbraw/zinc/11/57/54/557115754.db2.gz	HGEKBKOYBBFYHE-BRJLIKDPSA-N	-1	0	431.448	5.793	40	30		IKEBRM
Cc1c(/N=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cccc1C(=O)[O-]	ZINC000409380956	557140635	/nfs/dbraw/zinc/14/06/35/557140635.db2.gz	KJBADAIYUMPCGC-RPPGKUMJSA-N	-1	0	440.858	5.254	40	30		IKEBRM
CCCCc1ccc(/N=C/c2cc(C)n(-c3sc4c(c3C(=O)[O-])CCCC4)c2C)cc1	ZINC000409385500	557141974	/nfs/dbraw/zinc/14/19/74/557141974.db2.gz	KXWLBRDIRZAGSX-JVWAILMASA-N	-1	0	434.605	6.826	40	30		IKEBRM
COc1cc(/C=N/c2ccc(-c3ccccc3)cc2)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000409386776	557141982	/nfs/dbraw/zinc/14/19/82/557141982.db2.gz	XOQNLXHWFSBLOO-JVWAILMASA-N	-1	0	427.456	5.983	40	30		IKEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)o1	ZINC000409408315	557144861	/nfs/dbraw/zinc/14/48/61/557144861.db2.gz	XPBLJLWSCLTUAE-UHFFFAOYSA-N	-1	0	449.466	5.212	40	30		IKEBRM
Cc1cc(/C=N/c2ccc(Cl)c(C(=O)[O-])c2)c(C)n1-c1ccc(Br)cc1	ZINC000408737627	557144966	/nfs/dbraw/zinc/14/49/66/557144966.db2.gz	FFISGZRMZIWNOA-FOKLQQMPSA-N	-1	0	431.717	5.959	40	30		IKEBRM
Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)S2)cc1Cl	ZINC000408739056	557148485	/nfs/dbraw/zinc/14/84/85/557148485.db2.gz	SEXUBCRNOIOXPB-ODLFYWEKSA-N	-1	0	438.892	5.498	40	30		IKEBRM
O=C([O-])c1cccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1	ZINC000408741162	557149457	/nfs/dbraw/zinc/14/94/57/557149457.db2.gz	OFDOMIPNDJMQCM-NJZRLIGZSA-N	-1	0	442.518	7.260	40	30		IKEBRM
CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4C(=O)[O-])c3C)S2)cc1	ZINC000408755690	557167744	/nfs/dbraw/zinc/16/77/44/557167744.db2.gz	LUGZECOZTRKKJV-HMAPJEAMSA-N	-1	0	445.544	5.246	40	30		IKEBRM
CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)S2)cc1	ZINC000408764081	557182059	/nfs/dbraw/zinc/18/20/59/557182059.db2.gz	LEAGHDABXYFDQA-HMAPJEAMSA-N	-1	0	445.544	5.246	40	30		IKEBRM
CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc(Cl)c4[O-])c3)nc2c1	ZINC000038180007	557203166	/nfs/dbraw/zinc/20/31/66/557203166.db2.gz	MHYBWYHRROVXPX-ZKJHFGPLSA-N	-1	0	439.342	7.771	40	30		IKEBRM
CCOc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c2ccccc12	ZINC000408788856	557209738	/nfs/dbraw/zinc/20/97/38/557209738.db2.gz	GASIARVDQJWVRD-YCBMQGOFSA-N	-1	0	432.501	5.171	40	30		IKEBRM
Cc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(C)n1-c1ccc(C)cc1	ZINC000408793298	557212786	/nfs/dbraw/zinc/21/27/86/557212786.db2.gz	OHDMXPNEOFCJEO-AMQQTSRNSA-N	-1	0	445.544	5.335	40	30		IKEBRM
COc1cc(/C=N\c2cc(C)c(C)c([N+](=O)[O-])c2)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000408811206	557222010	/nfs/dbraw/zinc/22/20/10/557222010.db2.gz	KTOFYEFTWXQBSU-MXAYSNPKSA-N	-1	0	434.448	5.248	40	30		IKEBRM
C/C(=N\c1ccccc1Br)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000100643564	557267142	/nfs/dbraw/zinc/26/71/42/557267142.db2.gz	ZOTZBXIAMGLPPX-MFKUBSTISA-N	-1	0	433.305	5.600	40	30		IKEBRM
CC(=O)/C(=C\c1ccc(Cl)cc1)C(=O)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000101400374	557292453	/nfs/dbraw/zinc/29/24/53/557292453.db2.gz	IGJATFBFRDNFAW-RCCKNPSSSA-N	-1	0	443.886	5.205	40	30		IKEBRM
CCCCCCC[C@H](/C=C\CCCCCCCC(=O)OCCCCC)S(=O)(=O)[O-]	ZINC000103663789	557317979	/nfs/dbraw/zinc/31/79/79/557317979.db2.gz	RRUXVNIIXRLORS-JXTFVVQCSA-N	-1	0	432.667	6.624	40	30		IKEBRM
CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])c1	ZINC000016637017	557474971	/nfs/dbraw/zinc/47/49/71/557474971.db2.gz	NLTANEGYLUGUFL-AWQFTUOYSA-N	-1	0	440.681	5.206	40	30		IKEBRM
Cc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000059249834	557819201	/nfs/dbraw/zinc/81/92/01/557819201.db2.gz	XSHCYVCQCFHRJZ-LQKURTRISA-N	-1	0	443.934	6.940	40	30		IKEBRM
COc1ccc(/N=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(OC)c2)cc1Cl	ZINC000059302080	557821940	/nfs/dbraw/zinc/82/19/40/557821940.db2.gz	JIGGVHUMXNHPMP-DHRITJCHSA-N	-1	0	425.868	5.385	40	30		IKEBRM
Cc1cc(C)cc(/N=C2\NC(=O)/C(=C\c3cc(Br)cc(Cl)c3[O-])S2)c1	ZINC000059426824	557823645	/nfs/dbraw/zinc/82/36/45/557823645.db2.gz	CRUKEQQRJFKTJH-VIZOYTHASA-N	-1	0	437.746	5.317	40	30		IKEBRM
O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1cc(Cl)cc(Cl)c1[O-]	ZINC000059566768	557824024	/nfs/dbraw/zinc/82/40/24/557824024.db2.gz	DBBAOGXYIBKIBI-XGICHPGQSA-N	-1	0	434.131	5.897	40	30		IKEBRM
Cc1cc(/C=N/c2ccc(C3CCCCC3)cc2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000059679391	557828567	/nfs/dbraw/zinc/82/85/67/557828567.db2.gz	ZPGJHIXQRMTQEW-LQKURTRISA-N	-1	0	434.967	7.244	40	30		IKEBRM
C=C(C)[C@H]1C[C@H](c2ccc(Cl)cc2)[C@@H](C(C)C)O[C@@H]1c1cc(C(=O)[O-])ccc1OCC	ZINC000585263879	568873612	/nfs/dbraw/zinc/87/36/12/568873612.db2.gz	AYYZQLMZZSRYBI-YENTXNKWSA-N	-1	0	442.983	6.899	40	30		IKEBRM
C=C(C)[C@H]1C[C@@H](c2ccccc2Cl)[C@H](C)O[C@@H]1c1cc(CC(=O)[O-])ccc1OCC	ZINC000585263967	568873673	/nfs/dbraw/zinc/87/36/73/568873673.db2.gz	RDJKRBMESGXLGW-MZYVBUQCSA-N	-1	0	428.956	6.192	40	30		IKEBRM
C=C(C)[C@H]1C[C@H](c2ccccc2Cl)[C@H](C)O[C@@H]1c1cc(CCC(=O)[O-])ccc1OCC	ZINC000585263965	568873689	/nfs/dbraw/zinc/87/36/89/568873689.db2.gz	RAPAMAFYRCYYIJ-LIYOMKHYSA-N	-1	0	442.983	6.582	40	30		IKEBRM
C=C(C)[C@H]1C[C@H](c2ccccc2)[C@H](c2ccccc2)O[C@@H]1c1cccc(F)c1OCC(=O)[O-]	ZINC000585268191	568874537	/nfs/dbraw/zinc/87/45/37/568874537.db2.gz	WVJRFBPAGFTRDN-JUIYCPNDSA-N	-1	0	446.518	6.468	40	30		IKEBRM
CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2sc3c(c2C#N)CC[C@H](c2ccccc2)C3)C1	ZINC000017099066	569173632	/nfs/dbraw/zinc/17/36/32/569173632.db2.gz	BDGUZVIBYQBJJB-SXLOBPIMSA-N	-1	0	434.561	5.278	40	30		IKEBRM
O=C(Oc1ccccc1/C=N/c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1Br	ZINC000000727519	569211002	/nfs/dbraw/zinc/21/10/02/569211002.db2.gz	FCOKMKWFLZBPJS-WSDLNYQXSA-N	-1	0	441.237	5.033	40	30		IKEBRM
N=C1SC(=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)C([O-])=C1c1nccs1	ZINC000107885216	569262421	/nfs/dbraw/zinc/26/24/21/569262421.db2.gz	HDAMQXPQWBSUKO-HTIFSWEISA-N	-1	0	433.533	5.703	40	30		IKEBRM
Cc1c(C=C2SC(=N)C(c3nccs3)=C2[O-])c2ccccc2n1Cc1ccccc1	ZINC000108168919	569262482	/nfs/dbraw/zinc/26/24/82/569262482.db2.gz	MEKVIHQEISFVFX-FTHAZTDQSA-N	-1	0	429.570	5.872	40	30		IKEBRM
N=C1SC(=Cc2c(OCc3ccccc3)ccc3ccccc32)C([O-])=C1c1nccs1	ZINC000108206611	569262502	/nfs/dbraw/zinc/26/25/02/569262502.db2.gz	FJXLOMPOIPDVBT-PLXYEHFVSA-N	-1	0	442.565	6.293	40	30		IKEBRM
CCc1nnc(C2=C([O-])C(=Cc3cc(C)n(-c4cccc(C)c4C)c3C)SC2=N)s1	ZINC000137562355	569262603	/nfs/dbraw/zinc/26/26/03/569262603.db2.gz	FQQPVXOSDRGSML-IXPXTECGSA-N	-1	0	436.606	5.543	40	30		IKEBRM
CC[C@@H](C)c1ccc2oc(-c3ccc(N=Cc4cc(Cl)cc([N+](=O)[O-])c4[O-])cc3)nc2c1	ZINC000254866004	569273916	/nfs/dbraw/zinc/27/39/16/569273916.db2.gz	ULOYTUVYXLVYLM-CQSZACIVSA-N	-1	0	449.894	7.026	40	30		IKEBRM
[O-]c1cc(/N=C/c2ccc(-c3cccc(Cl)c3)o2)ccc1-c1nc2ccccc2s1	ZINC000003035854	569437946	/nfs/dbraw/zinc/43/79/46/569437946.db2.gz	WNNQHRRSLJXDGJ-VULFUBBASA-N	-1	0	430.916	7.333	40	30		IKEBRM
Cc1ccc2nc(-c3ccc(/N=C/c4cc(Cl)cc(Br)c4[O-])cc3)oc2c1	ZINC000003050050	569438975	/nfs/dbraw/zinc/43/89/75/569438975.db2.gz	QNISAFDGXDMWNB-BHGWPJFGSA-N	-1	0	441.712	6.675	40	30		IKEBRM
CC(C)(C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4[O-])cc3)nc2c1	ZINC000003068804	569439769	/nfs/dbraw/zinc/43/97/69/569439769.db2.gz	ZSUFPUYPGTWZJC-LGJNPRDNSA-N	-1	0	449.894	6.810	40	30		IKEBRM
O=C(Nc1cc(Cl)c(/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1Cl)c1ccccc1	ZINC000003075010	569439854	/nfs/dbraw/zinc/43/98/54/569439854.db2.gz	PEMWTOAYVFESNQ-FOKLQQMPSA-N	-1	0	430.247	5.610	40	30		IKEBRM
C/C(=C\C(=O)c1c([O-])c2ccccc2n(C)c1=O)Nc1ccc(/N=N/c2ccccc2)cc1	ZINC000101153869	518432201	/nfs/dbraw/zinc/43/22/01/518432201.db2.gz	NDUUHVVPPBPVNQ-BPNWYJPJSA-N	-1	0	438.487	5.858	40	30		IKEBRM
CCCCCCCCCCCOc1ccc(/N=C/c2ccc(C(=O)[O-])cc2)cc1Cl	ZINC000059664021	520018293	/nfs/dbraw/zinc/01/82/93/520018293.db2.gz	VNVOCTHQEDYSEK-ZXVVBBHZSA-N	-1	0	429.988	7.698	40	30		IKEBRM
CCCCCCC[C@@H](/C=C\CCCCCCCC(=O)OCCCCC)S(=O)(=O)[O-]	ZINC000103663784	520065370	/nfs/dbraw/zinc/06/53/70/520065370.db2.gz	RRUXVNIIXRLORS-ZHFOUCBBSA-N	-1	0	432.667	6.624	40	30		IKEBRM
CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4[O-])cc3)nc2c1	ZINC000016610630	522431510	/nfs/dbraw/zinc/43/15/10/522431510.db2.gz	ULOYTUVYXLVYLM-WOLHVBPDSA-N	-1	0	449.894	7.026	40	30		IKEBRM
COc1ccc(Br)cc1C=Nn1c(=S)[n-]nc1-c1ccc(C(C)(C)C)cc1	ZINC000012464320	523492895	/nfs/dbraw/zinc/49/28/95/523492895.db2.gz	CGUCMZYRDIPULM-UUYOSTAYSA-N	-1	0	445.386	5.558	40	30		IKEBRM
Cc1cccc2c1nc1[n-]c(NN=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nnc2-1	ZINC000015015565	524970028	/nfs/dbraw/zinc/97/00/28/524970028.db2.gz	JSGSQNUPGXUIHP-LGJNPRDNSA-N	-1	0	430.556	5.561	40	30		IKEBRM
O=C([O-])[C@H](CSC(c1ccccc1)c1ccccc1)/N=C\c1c(O)ccc2ccccc21	ZINC000104117530	526304170	/nfs/dbraw/zinc/30/41/70/526304170.db2.gz	VYRZOJFIXYKXLK-VNIQIGACSA-N	-1	0	441.552	5.940	40	30		IKEBRM
[O-]c1c(Cl)cc(Cl)cc1CN=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1	ZINC000013302162	526323529	/nfs/dbraw/zinc/32/35/29/526323529.db2.gz	SXRCRAMXUYPBSX-VULFUBBASA-N	-1	0	435.314	6.269	40	30		IKEBRM
[O-]c1ccccc1-c1nc2ccccc2c(NN=Cc2c(F)c(F)c(F)c(F)c2F)n1	ZINC000013548695	526368086	/nfs/dbraw/zinc/36/80/86/526368086.db2.gz	NZJBGEBULXMVSU-OXUBWTJQSA-N	-1	0	430.336	5.144	40	30		IKEBRM
N#C[C@H](Sc1nc(-c2cccs2)cc(-c2ccccc2)c1C(=O)[O-])c1ccccc1	ZINC000036656485	526510322	/nfs/dbraw/zinc/51/03/22/526510322.db2.gz	VMPUKTYEEWVQHV-NRFANRHFSA-N	-1	0	428.538	6.532	40	30		IKEBRM
Cc1sc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)[O-])c(C#N)c1-c1ccc(C(C)C)cc1	ZINC000035897660	526883496	/nfs/dbraw/zinc/88/34/96/526883496.db2.gz	USOLBVYBTREFQK-OSZJIOELSA-N	-1	0	434.561	5.570	40	30		IKEBRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/c2cc(-c3nc4ncccc4o3)ccc2Cl)c1[O-]	ZINC000016431613	527332314	/nfs/dbraw/zinc/33/23/14/527332314.db2.gz	HTWQZZCRYFERCO-NUGSKGIGSA-N	-1	0	429.219	5.561	40	30		IKEBRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C\c2ccc(Br)cc2)cc1	ZINC000000753246	555553624	/nfs/dbraw/zinc/55/36/24/555553624.db2.gz	XWCSFRGVLNKEAW-HMAPJEAMSA-N	-1	0	429.339	5.309	40	30		IKEBRM
CCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCC	ZINC000006921181	556110589	/nfs/dbraw/zinc/11/05/89/556110589.db2.gz	JTXUVYOABGUBMX-UHFFFAOYSA-N	-1	0	434.642	8.962	40	30		IKEBRM
Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000009260195	556267972	/nfs/dbraw/zinc/26/79/72/556267972.db2.gz	CGVKPHSIUMXUIM-CVKSISIWSA-N	-1	0	437.927	5.033	40	30		IKEBRM
O=C([O-])c1cc(-c2ccc(/C=C3\SC(=Nc4ccccc4F)NC3=O)o2)ccc1Cl	ZINC000408852362	556441777	/nfs/dbraw/zinc/44/17/77/556441777.db2.gz	JYEWGMPIONIQQY-ZDLGFXPLSA-N	-1	0	442.855	5.329	40	30		IKEBRM
O=C([O-])c1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1	ZINC000408852422	556441807	/nfs/dbraw/zinc/44/18/07/556441807.db2.gz	FOGNUHWLHGALEX-UFFVCSGVSA-N	-1	0	436.714	6.296	40	30		IKEBRM
COC(=O)c1ccc(Cl)c(/N=C/c2cc(C)n(-c3ccc(C(=O)[O-])c(Cl)c3)c2C)c1	ZINC000408854751	556443504	/nfs/dbraw/zinc/44/35/04/556443504.db2.gz	CDLIZFKTIBGXAE-OPEKNORGSA-N	-1	0	445.302	5.636	40	30		IKEBRM
Cc1ccc(Sc2oc(/C=N/c3cc([N+](=O)[O-])ccc3[O-])cc2Br)cc1	ZINC000408908443	556493686	/nfs/dbraw/zinc/49/36/86/556493686.db2.gz	CMWSQYRTYXNVLW-KEBDBYFISA-N	-1	0	433.283	5.866	40	30		IKEBRM
O=C([O-])c1ccccc1-c1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)o1	ZINC000408913168	556497663	/nfs/dbraw/zinc/49/76/63/556497663.db2.gz	SXYZKABVMBFTIY-STBIYBPSSA-N	-1	0	425.528	6.863	40	30		IKEBRM
C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)S/C1=N\c1ccccc1	ZINC000408914131	556499601	/nfs/dbraw/zinc/49/96/01/556499601.db2.gz	VNNUNKBXXSEHOG-QLNCSRKTSA-N	-1	0	428.513	5.750	40	30		IKEBRM
COc1ccc([N+](=O)[O-])cc1/N=C\c1cc(C)n(-c2ccc(Cl)c(C(=O)[O-])c2)c1C	ZINC000408933334	556527528	/nfs/dbraw/zinc/52/75/28/556527528.db2.gz	ARHBNPTXLRWLME-KSEXSDGBSA-N	-1	0	427.844	5.113	40	30		IKEBRM
Cc1cc(/C=N/c2cccc(Br)c2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408933563	556527735	/nfs/dbraw/zinc/52/77/35/556527735.db2.gz	BIHALXIFIUSFDR-FOKLQQMPSA-N	-1	0	431.717	5.959	40	30		IKEBRM
O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1[O-]	ZINC000032114810	556531142	/nfs/dbraw/zinc/53/11/42/556531142.db2.gz	VXUAEDHNIHMZIK-PGGKNCGUSA-N	-1	0	429.766	5.791	40	30		IKEBRM
COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc([N+](=O)[O-])c1[O-]	ZINC000408938677	556537340	/nfs/dbraw/zinc/53/73/40/556537340.db2.gz	RCBYDLLMIQRFFW-CMSXCWRSSA-N	-1	0	441.487	5.886	40	30		IKEBRM
COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc([N+](=O)[O-])c1[O-]	ZINC000408938678	556537489	/nfs/dbraw/zinc/53/74/89/556537489.db2.gz	RCBYDLLMIQRFFW-JDTUQCDQSA-N	-1	0	441.487	5.886	40	30		IKEBRM
Cc1ccc(N=C2S/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C(=O)N2C)cc1C	ZINC000408961480	556564566	/nfs/dbraw/zinc/56/45/66/556564566.db2.gz	MOKAXUMJELONPU-YRXXGERJSA-N	-1	0	446.528	5.804	40	30		IKEBRM
Cc1cccc(C)c1N=C1S/C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C(=O)N1C	ZINC000408961551	556564595	/nfs/dbraw/zinc/56/45/95/556564595.db2.gz	NAPPTVCDWGOOGS-HPHYVGLOSA-N	-1	0	446.528	5.804	40	30		IKEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N\c2ccccc2I)o1	ZINC000408963171	556568807	/nfs/dbraw/zinc/56/88/07/556568807.db2.gz	XPKBXBCWJGUEDR-NHDPSOOVSA-N	-1	0	431.229	5.308	40	30		IKEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc3oc(-c4c(F)c(F)c(F)c(F)c4F)nc3c2)c1	ZINC000016431020	556607431	/nfs/dbraw/zinc/60/74/31/556607431.db2.gz	LCHXCIILDVDBTD-IOXBOXJCSA-N	-1	0	449.291	5.555	40	30		IKEBRM
O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2cccc(C(F)(F)F)c2)c1[O-]	ZINC000016450169	556609285	/nfs/dbraw/zinc/60/92/85/556609285.db2.gz	HQLNLBGKDXIETJ-RPPGKUMJSA-N	-1	0	434.801	6.314	40	30		IKEBRM
O=C(Nc1ccc(/N=C/c2cccc([N+](=O)[O-])c2[O-])cc1Br)c1ccccc1	ZINC000016476815	556610715	/nfs/dbraw/zinc/61/07/15/556610715.db2.gz	GEYXZFIJFXNRHE-WSDLNYQXSA-N	-1	0	440.253	5.066	40	30		IKEBRM
CCOc1cc([N+](=O)[O-])cc(/C=N\c2ccc(Cl)c(-c3nc4ccccc4o3)c2)c1[O-]	ZINC000016688218	556626075	/nfs/dbraw/zinc/62/60/75/556626075.db2.gz	XLIHKWBUALQKDQ-MSXFZWOLSA-N	-1	0	437.839	5.911	40	30		IKEBRM
CCOc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])ccc1OCc1ccccc1	ZINC000136030415	556721518	/nfs/dbraw/zinc/72/15/18/556721518.db2.gz	DVFRERMNILFVNZ-DZDFLSMNSA-N	-1	0	436.558	5.539	40	30		IKEBRM
N=C1SC(=Cc2ccc(OCc3ccccc3Cl)cc2)C([O-])=C1c1nccs1	ZINC000136255310	556722226	/nfs/dbraw/zinc/72/22/26/556722226.db2.gz	LCPNNUXGRMQEKF-VGQPPMBJSA-N	-1	0	426.950	5.793	40	30		IKEBRM
CCc1nnc(C2=C([O-])C(=Cc3cn(Cc4ccccc4)c4ccccc34)SC2=N)s1	ZINC000136454975	556722663	/nfs/dbraw/zinc/72/26/63/556722663.db2.gz	ITBAVBBDPGOBRV-TULHVXHQSA-N	-1	0	444.585	5.521	40	30		IKEBRM
Cc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])c(C)n1-c1ccc(C)c(Cl)c1	ZINC000136855936	556722950	/nfs/dbraw/zinc/72/29/50/556722950.db2.gz	PJEDWEMBGXMQMM-PPYVRHORSA-N	-1	0	427.982	5.930	40	30		IKEBRM
CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc([O-])c([N+](=O)[O-])c2)C2=C1CC(C)(C)CC2=O	ZINC000409039707	556750466	/nfs/dbraw/zinc/75/04/66/556750466.db2.gz	RXOSGWXLOORKQA-UHFFFAOYSA-N	-1	0	438.524	5.006	40	30		IKEBRM
O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4cc5ccccc5cc4O)nc3c2)c1[O-]	ZINC000003116158	556756485	/nfs/dbraw/zinc/75/64/85/556756485.db2.gz	FYBGKTNWTKNJOI-DHRITJCHSA-N	-1	0	425.400	5.718	40	30		IKEBRM
CN1C(=O)/C(=C\c2c3ccccc3cc3ccccc32)S/C1=N\c1ccc(C(=O)[O-])cc1	ZINC000409056201	556759208	/nfs/dbraw/zinc/75/92/08/556759208.db2.gz	NCYCXLZZDRHBPE-GZFRWTSMSA-N	-1	0	438.508	5.925	40	30		IKEBRM
CCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2cccc(C(=O)[O-])c2)N(CC)C1=O	ZINC000409060008	556766325	/nfs/dbraw/zinc/76/63/25/556766325.db2.gz	UJYHBAYCQYRJHP-HPJGCCTDSA-N	-1	0	430.913	5.061	40	30		IKEBRM
O=C([O-])c1ccc(COc2c(Cl)cc(/C=N/c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1	ZINC000409068786	556774079	/nfs/dbraw/zinc/77/40/79/556774079.db2.gz	VQEOCTRJIWVKRZ-BHGWPJFGSA-N	-1	0	445.258	5.929	40	30		IKEBRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)o1	ZINC000409086435	556790736	/nfs/dbraw/zinc/79/07/36/556790736.db2.gz	ZPMQTQXDALDHOL-GRJIBALVSA-N	-1	0	446.572	6.788	40	30		IKEBRM
Cc1cc(/C=N/c2ccccc2[S-])c(C)n1-c1ccc(I)cc1	ZINC000408771436	556846934	/nfs/dbraw/zinc/84/69/34/556846934.db2.gz	GKLPBWHJWCBINY-CIAFOILYSA-N	-1	0	432.330	5.738	40	30		IKEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)c1	ZINC000008927125	556852477	/nfs/dbraw/zinc/85/24/77/556852477.db2.gz	NSAPWOWRAQXBIQ-SSDVNMTOSA-N	-1	0	438.237	5.622	40	30		IKEBRM
Cc1cc(/C=N\c2cc(C)c(C)c([N+](=O)[O-])c2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408821057	556866244	/nfs/dbraw/zinc/86/62/44/556866244.db2.gz	BXDOJTWDECIVMM-MYKKPKGFSA-N	-1	0	425.872	5.721	40	30		IKEBRM
Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C)c(C(=O)[O-])c4)o3)S2)c1C	ZINC000408858021	556871152	/nfs/dbraw/zinc/87/11/52/556871152.db2.gz	RECCUXARFXJMIU-MTJSOVHGSA-N	-1	0	432.501	5.462	40	30		IKEBRM
Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)S1	ZINC000408875496	556876392	/nfs/dbraw/zinc/87/63/92/556876392.db2.gz	JGTWPIZBJJQXBV-ODLFYWEKSA-N	-1	0	438.892	5.498	40	30		IKEBRM
Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	ZINC000408913155	556889098	/nfs/dbraw/zinc/88/90/98/556889098.db2.gz	SUKVJJLHXXADLZ-OCSSWDANSA-N	-1	0	449.510	5.994	40	30		IKEBRM
Cc1cc(/C=N\c2ccc(Br)cc2C)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408913617	556889305	/nfs/dbraw/zinc/88/93/05/556889305.db2.gz	MMEPHEKFVMXVOL-MSXFZWOLSA-N	-1	0	425.326	5.922	40	30		IKEBRM
O=C([O-])c1ccc(/N=C/c2ccc(-c3cc(Cl)c(Br)c([N+](=O)[O-])c3)o2)cc1	ZINC000408915138	556890090	/nfs/dbraw/zinc/89/00/90/556890090.db2.gz	VGRHIWMVXFHLFK-ZVBGSRNCSA-N	-1	0	449.644	5.720	40	30		IKEBRM
Cc1ccc(C)n1-c1ccc(/N=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)[O-])c3)c2C)cc1	ZINC000408935383	556895472	/nfs/dbraw/zinc/89/54/72/556895472.db2.gz	DQYBYYRROZVYDK-MBTHVWNTSA-N	-1	0	445.950	6.604	40	30		IKEBRM
Cc1cc(/C=N\c2ccccc2Br)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408944507	556897356	/nfs/dbraw/zinc/89/73/56/556897356.db2.gz	MRYLZGQSKPXOIJ-KSEXSDGBSA-N	-1	0	431.717	5.959	40	30		IKEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)o1	ZINC000408960466	556900483	/nfs/dbraw/zinc/90/04/83/556900483.db2.gz	FYWUMZOKPQOIJX-ODLFYWEKSA-N	-1	0	438.892	5.498	40	30		IKEBRM
COc1cc(/C=N/c2ccc(Br)cc2)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000408965109	556902239	/nfs/dbraw/zinc/90/22/39/556902239.db2.gz	GPPPKODYJSCPMS-ZMOGYAJESA-N	-1	0	440.293	5.486	40	30		IKEBRM
CC(C)COc1ccc(Cl)cc1/C=C1/S/C(=N\c2cccc(C(=O)[O-])c2)N(C)C1=O	ZINC000409060547	556937577	/nfs/dbraw/zinc/93/75/77/556937577.db2.gz	XEYBBYUPBPZLAB-MSBDOUPJSA-N	-1	0	444.940	5.307	40	30		IKEBRM
CCN1C(=O)/C(=C\c2cc(Cl)ccc2OC(C)C)S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000409055487	556938782	/nfs/dbraw/zinc/93/87/82/556938782.db2.gz	CEMPKANPTNEJIG-RVFNTIOESA-N	-1	0	444.940	5.449	40	30		IKEBRM
CCc1ccc(/N=C/c2cc(Br)cc(I)c2[O-])cc1	ZINC000409101890	556956055	/nfs/dbraw/zinc/95/60/55/556956055.db2.gz	ZKOCSCBTCBNQKN-GIJQJNRQSA-N	-1	0	430.083	5.072	40	30		IKEBRM
Cc1ccc(C)c(/N=C\c2cc(Br)cc(I)c2[O-])c1	ZINC000409105334	556958602	/nfs/dbraw/zinc/95/86/02/556958602.db2.gz	MUNODCCYNVPFSC-LSCVHKIXSA-N	-1	0	430.083	5.127	40	30		IKEBRM
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)o1	ZINC000409163329	556978029	/nfs/dbraw/zinc/97/80/29/556978029.db2.gz	PQTZTKRZZCDFBS-NHDPSOOVSA-N	-1	0	444.468	5.061	40	30		IKEBRM
COc1cccc(/C=N\c2cccc(Cl)c2Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409187318	556988124	/nfs/dbraw/zinc/98/81/24/556988124.db2.gz	OWDCRMFUMHBOME-ROTLSHHCSA-N	-1	0	430.287	6.030	40	30		IKEBRM
COc1cccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409188537	556988605	/nfs/dbraw/zinc/98/86/05/556988605.db2.gz	ZZHOCBVZXXFEPE-WYMPLXKRSA-N	-1	0	440.839	5.285	40	30		IKEBRM
CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc([N+](=O)[O-])c1[O-]	ZINC000409209256	556998212	/nfs/dbraw/zinc/99/82/12/556998212.db2.gz	IJQSTGDCNVEPBF-REMUQMNCSA-N	-1	0	427.526	5.534	40	30		IKEBRM
Cc1cccc(/N=C/c2cc(Br)c(OCC(=O)[O-])c(Br)c2)c1C	ZINC000409200806	557000112	/nfs/dbraw/zinc/00/01/12/557000112.db2.gz	JSMHPDBONXAUMY-DNTJNYDQSA-N	-1	0	441.119	5.042	40	30		IKEBRM
CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409203204	557002175	/nfs/dbraw/zinc/00/21/75/557002175.db2.gz	VTCGQFCSKQVWCA-JFLMPSFJSA-N	-1	0	437.923	6.329	40	30		IKEBRM
COc1cccc(/C=N/c2ccc(C3CCCCC3)cc2)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409185357	557006560	/nfs/dbraw/zinc/00/65/60/557006560.db2.gz	XWHUHOPOYNWSKX-RDRPBHBLSA-N	-1	0	443.543	6.771	40	30		IKEBRM
COc1cccc(/C=N/c2ccc(Br)cc2)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409188423	557009128	/nfs/dbraw/zinc/00/91/28/557009128.db2.gz	ZAORDCUBMDUOAP-ZMOGYAJESA-N	-1	0	440.293	5.486	40	30		IKEBRM
Cc1ccc(C)c(/N=C/c2cc(Br)cc(Br)c2OCC(=O)[O-])c1	ZINC000409214643	557009246	/nfs/dbraw/zinc/00/92/46/557009246.db2.gz	YXSCPWIJIPRMNS-DNTJNYDQSA-N	-1	0	441.119	5.042	40	30		IKEBRM
Cc1cc(/C=C2\SC(=Nc3cc(C)cc(C)c3)NC2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409218448	557012963	/nfs/dbraw/zinc/01/29/63/557012963.db2.gz	VGWAIWWUZGXGQZ-XKZIYDEJSA-N	-1	0	445.544	5.301	40	30		IKEBRM
CC(C)/N=C1\S/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C(=O)N1C(C)C	ZINC000409203466	557014877	/nfs/dbraw/zinc/01/48/77/557014877.db2.gz	YDGIISGVSVKDQG-DBOFRQRBSA-N	-1	0	432.929	5.387	40	30		IKEBRM
CCOc1cc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OCC(=O)[O-]	ZINC000409209589	557020612	/nfs/dbraw/zinc/02/06/12/557020612.db2.gz	GQVVAMQJHFBFSR-NCQSQGRDSA-N	-1	0	440.565	5.383	40	30		IKEBRM
CC(C)/N=C1\S/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)cc2)C(=O)N1C(C)C	ZINC000409211548	557025298	/nfs/dbraw/zinc/02/52/98/557025298.db2.gz	OERBMHWCTBDCPY-XHFTXJRRSA-N	-1	0	438.549	5.053	40	30		IKEBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(N=Nc2ccccc2)cc1	ZINC000408534867	557032684	/nfs/dbraw/zinc/03/26/84/557032684.db2.gz	MSOQNJXMIDHVKS-YOROTWAESA-N	-1	0	445.866	5.357	40	30		IKEBRM
Cc1ccc(N=Nc2ccc(NC=C3C(=O)[N-]C(=O)N(c4cccc(C)c4)C3=O)cc2)cc1	ZINC000408537371	557033305	/nfs/dbraw/zinc/03/33/05/557033305.db2.gz	VOAWKYRMZOMBMZ-HSGJDDQRSA-N	-1	0	439.475	5.320	40	30		IKEBRM
Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cccn2-c2ccc(C(=O)[O-])cc2)S1	ZINC000409252606	557037658	/nfs/dbraw/zinc/03/76/58/557037658.db2.gz	SVZOWYRUPHGLEH-UNOMPAQXSA-N	-1	0	437.908	5.029	40	30		IKEBRM
O=C([O-])c1ccc(-c2ccc(C=Nn3c(=O)c4ccccc4nc3C3CCCCC3)o2)cc1	ZINC000409298907	557055138	/nfs/dbraw/zinc/05/51/38/557055138.db2.gz	QDKWHFVQZNHGSY-UHFFFAOYSA-N	-1	0	441.487	5.285	40	30		IKEBRM
N#Cc1ccc(COc2ccc(/C=C(\Sc3nc4ccccc4o3)C(=O)[O-])cc2)cc1	ZINC000408634348	557076351	/nfs/dbraw/zinc/07/63/51/557076351.db2.gz	PWQREXPWLZJPDD-XKZIYDEJSA-N	-1	0	428.469	5.496	40	30		IKEBRM
CCN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)S/C1=N/c1ccc(OC)cc1	ZINC000409234779	557076555	/nfs/dbraw/zinc/07/65/55/557076555.db2.gz	MKIOCAQLTBIQBW-YCBMQGOFSA-N	-1	0	448.500	5.277	40	30		IKEBRM
C#CCOc1c(Cl)cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])cc1OCC	ZINC000408634170	557082742	/nfs/dbraw/zinc/08/27/42/557082742.db2.gz	PUXUAZFUSSYYLN-PDGQHHTCSA-N	-1	0	429.881	5.110	40	30		IKEBRM
Cc1cc(/C=N/c2ccc(F)c(Cl)c2)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000409385243	557092477	/nfs/dbraw/zinc/09/24/77/557092477.db2.gz	KGGCGBDAHSPIDO-OPEKNORGSA-N	-1	0	430.932	6.276	40	30		IKEBRM
CC(=O)Nc1ccc(/N=C/c2cc(C)n(-c3sc4c(c3C(=O)[O-])CCCC4)c2C)cc1	ZINC000409385948	557098424	/nfs/dbraw/zinc/09/84/24/557098424.db2.gz	MRJXLOPFXGVOJD-DHRITJCHSA-N	-1	0	435.549	5.442	40	30		IKEBRM
Cc1cc(/C=N\c2ccc(C)c([N+](=O)[O-])c2)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000409386826	557098677	/nfs/dbraw/zinc/09/86/77/557098677.db2.gz	SJGDZVTVIZBUPQ-MSXFZWOLSA-N	-1	0	437.521	5.700	40	30		IKEBRM
COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000409386749	557098785	/nfs/dbraw/zinc/09/87/85/557098785.db2.gz	XGMOWZKTMJIKAF-JVWAILMASA-N	-1	0	443.455	6.108	40	30		IKEBRM
O=C([O-])c1ccccc1-c1ccc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)o1	ZINC000409300837	557100564	/nfs/dbraw/zinc/10/05/64/557100564.db2.gz	YKEXVFWDXQAMDJ-UHFFFAOYSA-N	-1	0	441.487	5.285	40	30		IKEBRM
Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)S1	ZINC000408721790	557135806	/nfs/dbraw/zinc/13/58/06/557135806.db2.gz	YOZHQEWRYSLHHQ-ODLFYWEKSA-N	-1	0	438.892	5.498	40	30		IKEBRM
Cc1ccc(C(=O)[O-])cc1/N=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1	ZINC000409380579	557140591	/nfs/dbraw/zinc/14/05/91/557140591.db2.gz	NWEOUZDQCAXPRE-ZRGSRPPYSA-N	-1	0	440.858	5.254	40	30		IKEBRM
Cc1cc(C(=O)[O-])ccc1/N=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1	ZINC000409380152	557140616	/nfs/dbraw/zinc/14/06/16/557140616.db2.gz	JHLQLBLOGHATSV-RPPGKUMJSA-N	-1	0	440.858	5.254	40	30		IKEBRM
Cc1cc(/C=N/c2cccc3ccccc32)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000409386057	557141678	/nfs/dbraw/zinc/14/16/78/557141678.db2.gz	NWQGMCLVEZWCOK-JFLMPSFJSA-N	-1	0	428.557	6.636	40	30		IKEBRM
O=C([O-])c1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1	ZINC000408743051	557150865	/nfs/dbraw/zinc/15/08/65/557150865.db2.gz	YXYHYHUPTBEVAO-NJZRLIGZSA-N	-1	0	442.518	7.260	40	30		IKEBRM
CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)S2)cc1	ZINC000408759941	557178053	/nfs/dbraw/zinc/17/80/53/557178053.db2.gz	OOXOIIJWRYFBOX-BKUYFWCQSA-N	-1	0	432.501	5.407	40	30		IKEBRM
CCc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)cc(Cl)c3[O-])S2)cc1	ZINC000408763691	557181108	/nfs/dbraw/zinc/18/11/08/557181108.db2.gz	UHSCKOWVCXQIJZ-OVCLIPMQSA-N	-1	0	437.746	5.262	40	30		IKEBRM
Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(OCc4cccc(C(=O)[O-])c4)cc3)S2)c1	ZINC000408785593	557208352	/nfs/dbraw/zinc/20/83/52/557208352.db2.gz	HTVMNHRPMJCUOU-HMAPJEAMSA-N	-1	0	444.512	5.164	40	30		IKEBRM
C=CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2C)C1=O	ZINC000408809490	557221001	/nfs/dbraw/zinc/22/10/01/557221001.db2.gz	ODJIZWGZWRYXMO-XMHGGMMESA-N	-1	0	446.890	5.033	40	30		IKEBRM
COc1cc(Cl)cc(/C=N/c2cc(Br)c([O-])c(Br)c2)c1O	ZINC000038182140	557223948	/nfs/dbraw/zinc/22/39/48/557223948.db2.gz	ISQSHFCTCVUUSI-NGYBGAFCSA-N	-1	0	435.499	5.035	40	30		IKEBRM
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccc2ccccc2c1	ZINC000100150614	557243814	/nfs/dbraw/zinc/24/38/14/557243814.db2.gz	FYVHQQBNYGKXPF-HPNDGRJYSA-N	-1	0	425.517	5.462	40	30		IKEBRM
CCCCCCCCCCCCCCCC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)[O-]	ZINC000100306480	557257346	/nfs/dbraw/zinc/25/73/46/557257346.db2.gz	YWUFQAQWMURITA-QHCPKHFHSA-N	-1	0	445.471	8.697	40	30		IKEBRM
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)[C@H]1OC(=O)C(O)=C1[O-]	ZINC000100634116	557267009	/nfs/dbraw/zinc/26/70/09/557267009.db2.gz	LITUBCVUXPBCGA-AUSIDOKSSA-N	-1	0	442.593	5.405	40	30	endogenous,in-man	IKEBRM
C/C(=N\c1cccc(Br)c1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000100643567	557267299	/nfs/dbraw/zinc/26/72/99/557267299.db2.gz	LYMBLZFDQYATAP-MFKUBSTISA-N	-1	0	433.305	5.600	40	30		IKEBRM
CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C\c4cc(Cl)cc([N+](=O)[O-])c4[O-])cc3)nc2c1	ZINC000100953469	557279755	/nfs/dbraw/zinc/27/97/55/557279755.db2.gz	ULOYTUVYXLVYLM-CWYRIDLXSA-N	-1	0	449.894	7.026	40	30		IKEBRM
O=C(CC/C(C/C(=N/[O-])c1ccc(F)cc1)=N/O)N(Cc1ccccc1)Cc1ccccc1	ZINC000102985395	557311568	/nfs/dbraw/zinc/31/15/68/557311568.db2.gz	NWEHDIQJVKGIOJ-OYUJONNZSA-N	-1	0	447.510	5.234	40	30		IKEBRM
CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc([N+](=O)[O-])cc(C)c4[O-])cc3)nc2c1	ZINC000017096463	557476628	/nfs/dbraw/zinc/47/66/28/557476628.db2.gz	HGFJBZOXMMGFNC-NXYZXBHKSA-N	-1	0	429.476	6.681	40	30		IKEBRM
CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(C)cc([N+](=O)[O-])c4[O-])cc3)nc2c1	ZINC000017096457	557476661	/nfs/dbraw/zinc/47/66/61/557476661.db2.gz	HEVHLVJXJRYLGI-HEOQCTJZSA-N	-1	0	429.476	6.681	40	30		IKEBRM
CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc([N+](=O)[O-])cc(OC)c4[O-])cc3)nc2c1	ZINC000019643257	557504199	/nfs/dbraw/zinc/50/41/99/557504199.db2.gz	DEXZBHXZJUAWPP-NXYZXBHKSA-N	-1	0	445.475	6.381	40	30		IKEBRM
O=S(=O)([N-]c1cccnc1)c1ccc(/N=C/c2c3ccccc3cc3ccccc32)cc1	ZINC000020060652	557515043	/nfs/dbraw/zinc/51/50/43/557515043.db2.gz	SGAJHBRWDRSGRB-MTDXEUNCSA-N	-1	0	437.524	5.939	40	30		IKEBRM
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/c2ccc(C(=O)[O-])cc2)cc1OC	ZINC000003243252	557523712	/nfs/dbraw/zinc/52/37/12/557523712.db2.gz	NLFOMRFFNPDBEH-CVKSISIWSA-N	-1	0	427.460	5.005	40	30		IKEBRM
COc1ccc2[nH]c3c(nc([O-])n(/N=C\[C@H]4CC=C(CCC=C(C)C)C[C@H]4C)c3=O)c2c1	ZINC000033697570	557809050	/nfs/dbraw/zinc/80/90/50/557809050.db2.gz	ZTMKRAFIEVYSGH-FMHQCXGHSA-N	-1	0	434.540	5.145	40	30		IKEBRM
O=C([O-])c1ccc(-c2ccc(/C=C3\S/C(=N\c4ccc(F)cc4)NC3=O)o2)cc1Cl	ZINC000034259052	557811318	/nfs/dbraw/zinc/81/13/18/557811318.db2.gz	DWEPIGOXVJDYFM-ZDLGFXPLSA-N	-1	0	442.855	5.329	40	30		IKEBRM
COc1ccc(Oc2ccc(/N=C/c3ccc(-c4ccc(C)c(C(=O)[O-])c4)o3)cc2)cc1	ZINC000059105068	557814554	/nfs/dbraw/zinc/81/45/54/557814554.db2.gz	GDTRIKFJJQXKNM-JVWAILMASA-N	-1	0	427.456	6.505	40	30		IKEBRM
O=C([O-])c1cc(-c2ccc(/C=C3\S/C(=N/c4ccc(F)cc4)NC3=O)o2)ccc1Cl	ZINC000059105709	557814594	/nfs/dbraw/zinc/81/45/94/557814594.db2.gz	QOXWOEPXFXMKFW-ZDLGFXPLSA-N	-1	0	442.855	5.329	40	30		IKEBRM
Cc1cc(/C=N/c2cccc(Br)c2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000059250388	557819416	/nfs/dbraw/zinc/81/94/16/557819416.db2.gz	XJUUUQKNSXLPNM-FOKLQQMPSA-N	-1	0	431.717	5.959	40	30		IKEBRM
Cc1cc(/C=N/c2ccc(Br)c(C)c2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000059302385	557822253	/nfs/dbraw/zinc/82/22/53/557822253.db2.gz	XRADOILYLANOQF-BHGWPJFGSA-N	-1	0	445.744	6.267	40	30		IKEBRM
O=C([O-])c1ccccc1/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl	ZINC000059500713	557826505	/nfs/dbraw/zinc/82/65/05/557826505.db2.gz	QGXHYRSDECGJQW-DHRITJCHSA-N	-1	0	435.888	6.223	40	30		IKEBRM
O=C([O-])c1cccc(/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)c1	ZINC000059503603	557826813	/nfs/dbraw/zinc/82/68/13/557826813.db2.gz	LDBLECFVGACCBX-DHRITJCHSA-N	-1	0	435.888	6.223	40	30		IKEBRM
Cc1ccc(/N=C2\S/C(=C/c3cc(Cl)ccc3O)C(=O)N2c2ccc(C)cc2)cc1	ZINC000210967896	568837770	/nfs/dbraw/zinc/83/77/70/568837770.db2.gz	JJFHRYQLFXFWNT-DDOPLPCHSA-N	-1	0	434.948	6.471	40	30		IKEBRM
C=C(C)[C@H]1C[C@@H](c2ccc(Cl)cc2)[C@H](CCC)O[C@@H]1c1cc(C(=O)[O-])ccc1OC	ZINC000585263970	568873644	/nfs/dbraw/zinc/87/36/44/568873644.db2.gz	RLFTVRMQCUMNQH-SHBJFUFKSA-N	-1	0	428.956	6.653	40	30		IKEBRM
C=C(C)[C@H]1C[C@@H](c2ccccc2Cl)[C@H](C)O[C@@H]1c1cc(C(=O)[O-])ccc1OCCC	ZINC000585263918	568873671	/nfs/dbraw/zinc/87/36/71/568873671.db2.gz	GCLUIGPXWOLUCE-CDNOPDGFSA-N	-1	0	428.956	6.653	40	30		IKEBRM
CCOc1ccc(C(=O)[O-])cc1/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O	ZINC000033366574	569261588	/nfs/dbraw/zinc/26/15/88/569261588.db2.gz	AKGJIFJOHXZJOI-CENQWQLUSA-N	-1	0	444.512	5.592	40	30		IKEBRM
O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C/c1cc(Cl)c([O-])c(Cl)c1	ZINC000015227104	569261649	/nfs/dbraw/zinc/26/16/49/569261649.db2.gz	XKUXCMKWFVKEJA-WUXMJOGZSA-N	-1	0	434.131	5.897	40	30		IKEBRM
N=C1SC(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C([O-])=C1c1nccs1	ZINC000033370705	569261768	/nfs/dbraw/zinc/26/17/68/569261768.db2.gz	SNIYITLQLFPRSF-JKHCLMFGSA-N	-1	0	431.882	5.383	40	30		IKEBRM
CCc1nnc(C2=C([O-])C(=Cc3ccc(OCc4cccc(F)c4)cc3)SC2=N)s1	ZINC000034719486	569261958	/nfs/dbraw/zinc/26/19/58/569261958.db2.gz	DDPDKDJLQZUFOO-FDKCTOBMSA-N	-1	0	439.537	5.236	40	30		IKEBRM
CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccc(C(=O)[O-])cc2)N(CC)C1=O	ZINC000035656497	569262006	/nfs/dbraw/zinc/26/20/06/569262006.db2.gz	FLWRDAQSQVMSCT-JUMVDPBBSA-N	-1	0	446.528	5.561	40	30		IKEBRM
CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000035656867	569262017	/nfs/dbraw/zinc/26/20/17/569262017.db2.gz	KEDPCSVQNCYEIK-JUMVDPBBSA-N	-1	0	444.512	5.198	40	30		IKEBRM
CCc1nnc(C2=C([O-])C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)SC2=N)s1	ZINC000034690050	569262031	/nfs/dbraw/zinc/26/20/31/569262031.db2.gz	QZLRWJMYVFDXQI-JGOBEUKDSA-N	-1	0	442.997	5.579	40	30		IKEBRM
CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc([N+](=O)[O-])cc(C)c4[O-])c3)nc2c1	ZINC000038180036	569262105	/nfs/dbraw/zinc/26/21/05/569262105.db2.gz	BPQSEHOYMGGIIB-NXYZXBHKSA-N	-1	0	429.476	6.681	40	30		IKEBRM
[O-]c1cc(Br)c(/N=C/c2cc(Br)ccc2O)c(Br)c1	ZINC000038179879	569262182	/nfs/dbraw/zinc/26/21/82/569262182.db2.gz	HESJXPKXYVTDGH-UBKPWBPPSA-N	-1	0	449.924	5.136	40	30		IKEBRM
CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(C)cc([N+](=O)[O-])c4[O-])c3)nc2c1	ZINC000038180041	569262185	/nfs/dbraw/zinc/26/21/85/569262185.db2.gz	LTJXEVZOTRRJBI-HEOQCTJZSA-N	-1	0	429.476	6.681	40	30		IKEBRM
Cc1c(C=C2SC(=N)C(c3nccs3)=C2[O-])c2ccccc2n1Cc1cccc(F)c1	ZINC000107701918	569262279	/nfs/dbraw/zinc/26/22/79/569262279.db2.gz	LSDHAKXKUKKTDU-ILEYUIQDSA-N	-1	0	447.560	6.011	40	30		IKEBRM
Cc1ccc(/N=C2\S/C(=C/c3ccc(C(=O)[O-])cc3)C(=O)N2CCc2ccccc2)cc1	ZINC000106714417	569262298	/nfs/dbraw/zinc/26/22/98/569262298.db2.gz	OQTDJJNPAGHXHE-LQLRGMOSSA-N	-1	0	442.540	5.540	40	30		IKEBRM
COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])ccc1OCc1ccccc1C#N	ZINC000110219944	569262497	/nfs/dbraw/zinc/26/24/97/569262497.db2.gz	DRBZEPUQUANTNL-HTIFSWEISA-N	-1	0	447.541	5.020	40	30		IKEBRM
Cc1cc(C)c(COc2ccc(C=C3SC(=N)C(c4nccs4)=C3[O-])cc2)c(C)c1	ZINC000138024806	569262653	/nfs/dbraw/zinc/26/26/53/569262653.db2.gz	WNIVOEVYZGIUOH-XOBHVICXSA-N	-1	0	434.586	6.065	40	30		IKEBRM
Cc1c(C=C2SC(=N)C(c3nccs3)=C2[O-])c2ccccc2n1Cc1cccc(F)c1	ZINC000138396044	569262684	/nfs/dbraw/zinc/26/26/84/569262684.db2.gz	LSDHAKXKUKKTDU-ZDYYVWHCSA-N	-1	0	447.560	6.011	40	30		IKEBRM
CCCCOc1ccc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])c2ccccc12	ZINC000138168799	569262697	/nfs/dbraw/zinc/26/26/97/569262697.db2.gz	GVTYRXPFNWUZFB-PTORLYRRSA-N	-1	0	437.590	5.850	40	30		IKEBRM
CC[C@H](C)c1ccc2oc(-c3ccc(N=Cc4cc(Cl)cc([N+](=O)[O-])c4[O-])cc3)nc2c1	ZINC000254866003	569273915	/nfs/dbraw/zinc/27/39/15/569273915.db2.gz	ULOYTUVYXLVYLM-AWEZNQCLSA-N	-1	0	449.894	7.026	40	30		IKEBRM
O=C([O-])c1ccccc1NN=Cc1ccccc1OCc1ccc(Br)cc1	ZINC000254504542	569273930	/nfs/dbraw/zinc/27/39/30/569273930.db2.gz	UTHZSAPTYAGCAN-UHFFFAOYSA-N	-1	0	425.282	5.172	40	30		IKEBRM
COc1cccc(-c2nc(SCn3c4ccccc4sc3=S)[n-]c(=O)c2C#N)c1	ZINC000009667825	569297562	/nfs/dbraw/zinc/29/75/62/569297562.db2.gz	KSNLLEQWFFFRBX-UHFFFAOYSA-N	-1	0	438.559	5.225	40	30		IKEBRM
Cc1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc(Br)c4[O-])ccc3o2)cc1	ZINC000003050044	569438917	/nfs/dbraw/zinc/43/89/17/569438917.db2.gz	YDAPZQJKXIVOJF-BHGWPJFGSA-N	-1	0	441.712	6.675	40	30		IKEBRM
Cc1ccc2nc(-c3cccc(/N=C/c4cc(Cl)cc(Br)c4[O-])c3)oc2c1	ZINC000003050039	569438945	/nfs/dbraw/zinc/43/89/45/569438945.db2.gz	UGEGBPMPBARUDQ-BHGWPJFGSA-N	-1	0	441.712	6.675	40	30		IKEBRM
CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cccc(Cl)c4)nc3c2)c1[O-]	ZINC000003068529	569439771	/nfs/dbraw/zinc/43/97/71/569439771.db2.gz	RTWXNTYBSSWHLF-WYMPLXKRSA-N	-1	0	437.839	5.911	40	30		IKEBRM
[O-]c1cc(/N=C/c2ccc(OCc3ccccc3)cc2)ccc1-c1nc2ccccc2s1	ZINC000003084361	569439934	/nfs/dbraw/zinc/43/99/34/569439934.db2.gz	VLORKKPPTZPXJW-OGLMXYFKSA-N	-1	0	436.536	6.999	40	30		IKEBRM
CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2cccc(OCc3ccccc3)c2)cc1	ZINC000012468092	519009384	/nfs/dbraw/zinc/00/93/84/519009384.db2.gz	WJDXEUVLCKVSDU-PKAZHMFMSA-N	-1	0	442.588	6.366	40	30		IKEBRM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1cccc(C(F)(F)F)c1	ZINC000013576777	520898364	/nfs/dbraw/zinc/89/83/64/520898364.db2.gz	ZXFFUMKBNARTBI-ONUIUJJFSA-N	-1	0	429.427	5.020	40	30		IKEBRM
Cc1cc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])ccc1-c1cc2ccccc2oc1=O	ZINC000016283218	526097850	/nfs/dbraw/zinc/09/78/50/526097850.db2.gz	BONPBELQCWJIKW-BRJLIKDPSA-N	-1	0	434.835	5.786	40	30		IKEBRM
O=C(Nc1ccccc1)c1c([O-])c(Cc2ccccc2Cl)sc1NCc1ccccc1	ZINC000044138799	527390183	/nfs/dbraw/zinc/39/01/83/527390183.db2.gz	KASPDTZQNZJMHV-OAQYLSRUSA-N	-1	0	448.975	5.207	40	30		IKEBRM
C=CCOc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc1OC	ZINC000408631979	556003990	/nfs/dbraw/zinc/00/39/90/556003990.db2.gz	CADDOAMXFIEZSL-PDGQHHTCSA-N	-1	0	444.896	5.181	40	30		IKEBRM
N#CCn1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])c2ccccc21	ZINC000408634352	556014606	/nfs/dbraw/zinc/01/46/06/556014606.db2.gz	PXQYZICNOZKYJX-WQRHYEAKSA-N	-1	0	436.880	5.086	40	30		IKEBRM
C=CCOc1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])cc1Br	ZINC000408634365	556014628	/nfs/dbraw/zinc/01/46/28/556014628.db2.gz	QCOSKNSJWSLHBB-BOPFTXTBSA-N	-1	0	432.295	5.373	40	30		IKEBRM
Cc1cc(/C=N/NCc2c(Cl)cccc2Cl)c(C)n1-c1ccc(CC(=O)[O-])cc1	ZINC000009196652	556254697	/nfs/dbraw/zinc/25/46/97/556254697.db2.gz	VTKYITFGJSSSOU-BRJLIKDPSA-N	-1	0	430.335	5.152	40	30		IKEBRM
COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)[O-])c(Cl)c3)c2C)cc1Cl	ZINC000408858402	556447079	/nfs/dbraw/zinc/44/70/79/556447079.db2.gz	YTQDTUVVSURODO-OPEKNORGSA-N	-1	0	445.302	5.636	40	30		IKEBRM
Cc1cccc2c1nc1[n-]c(NN=Cc3ccc(-c4ccc(Br)cc4)o3)nnc2-1	ZINC000015016454	556485740	/nfs/dbraw/zinc/48/57/40/556485740.db2.gz	XAMSIKYOPHGBBQ-FOKLQQMPSA-N	-1	0	447.296	5.283	40	30		IKEBRM
O=C([O-])c1cccc(-c2ccc(/C=N\c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)o2)c1	ZINC000408915507	556500679	/nfs/dbraw/zinc/50/06/79/556500679.db2.gz	WOJGWNIXOJCGGQ-RHANQZHGSA-N	-1	0	425.528	6.863	40	30		IKEBRM
COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)[O-])c3)c2C)cc1Cl	ZINC000408933568	556527784	/nfs/dbraw/zinc/52/77/84/556527784.db2.gz	BJSDZMTUBRVIHU-OPEKNORGSA-N	-1	0	445.302	5.636	40	30		IKEBRM
CCCCC(=O)Nc1ccc(/N=C/c2cc(Br)cc(Cl)c2[O-])cc1OC	ZINC000032115348	556531575	/nfs/dbraw/zinc/53/15/75/556531575.db2.gz	VESKJCRMSJDCDT-SSDVNMTOSA-N	-1	0	439.737	5.696	40	30		IKEBRM
Cc1ccc(Sc2ccc(C=NNc3ccc(Cl)c(C(=O)[O-])c3)cc2[N+](=O)[O-])cc1	ZINC000032124607	556533475	/nfs/dbraw/zinc/53/34/75/556533475.db2.gz	FHNWVOVDFPACJR-FMCGGJTJSA-N	-1	0	441.896	5.852	40	30		IKEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=Nc3ccc(F)cc3)N(C)C2=O)o1	ZINC000408960513	556563147	/nfs/dbraw/zinc/56/31/47/556563147.db2.gz	GDFBQBLEBDPLAD-OBBBTXPFSA-N	-1	0	436.464	5.326	40	30		IKEBRM
COc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000016195077	556589874	/nfs/dbraw/zinc/58/98/74/556589874.db2.gz	CECVDZCKHKDGTD-ZSICUCBDSA-N	-1	0	447.472	5.118	40	30		IKEBRM
CCOc1cc([N+](=O)[O-])cc(/C=N\c2ccc(O)c(-c3nc4ccccc4s3)c2)c1[O-]	ZINC000016688220	556626013	/nfs/dbraw/zinc/62/60/13/556626013.db2.gz	LMQPPHVBSGAURI-FMCGGJTJSA-N	-1	0	435.461	5.432	40	30		IKEBRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C/c2c(F)c(F)c(F)c(F)c2F)cc1	ZINC000016923191	556649311	/nfs/dbraw/zinc/64/93/11/556649311.db2.gz	VMZNBUPNEJEWDT-NSKAYECMSA-N	-1	0	440.393	5.242	40	30		IKEBRM
Cc1ccc2c(c1)N[C@H](c1cccc(/N=C\c3cc(Cl)cc(Cl)c3[O-])c1)c1cccn1-2	ZINC000017126009	556668855	/nfs/dbraw/zinc/66/88/55/556668855.db2.gz	ZXGVFQHHLQGPAQ-PBSMGWKUSA-N	-1	0	448.353	7.064	40	30		IKEBRM
Cc1ccc2c(c1)N[C@@H](c1cccc(/N=C\c3cc(Cl)cc(Cl)c3[O-])c1)c1cccn1-2	ZINC000017126005	556668901	/nfs/dbraw/zinc/66/89/01/556668901.db2.gz	ZXGVFQHHLQGPAQ-NBUDSHOTSA-N	-1	0	448.353	7.064	40	30		IKEBRM
O=[N+]([O-])c1ccc2c(ccc(O)c2/C=N/c2ccc([O-])c(-c3nc4ccccc4o3)c2)c1	ZINC000000793787	556695477	/nfs/dbraw/zinc/69/54/77/556695477.db2.gz	IVWYMGBDTDXPJO-DHRITJCHSA-N	-1	0	425.400	5.718	40	30		IKEBRM
Cc1cccc(Cn2cc(C=C3SC(=N)C(c4nccs4)=C3[O-])c3ccccc32)c1	ZINC000136040967	556721611	/nfs/dbraw/zinc/72/16/11/556721611.db2.gz	UKVDJUXDOGAWBA-XOBHVICXSA-N	-1	0	429.570	5.872	40	30		IKEBRM
N=C1SC(=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)C([O-])=C1c1nccs1	ZINC000136407938	556722478	/nfs/dbraw/zinc/72/24/78/556722478.db2.gz	HDAMQXPQWBSUKO-CRDFWNHQSA-N	-1	0	433.533	5.703	40	30		IKEBRM
Cc1ccc(C(=O)[O-])cc1N=C1S/C(=C\c2ccc(-c3ccc(C#N)cc3)o2)C(=O)N1C	ZINC000409021393	556723362	/nfs/dbraw/zinc/72/33/62/556723362.db2.gz	FLCHEFSZEVIQIN-WWEQMIQGSA-N	-1	0	443.484	5.059	40	30		IKEBRM
CCCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2cccc(C(=O)[O-])c2)N(C)C1=O	ZINC000409056665	556759246	/nfs/dbraw/zinc/75/92/46/556759246.db2.gz	NHCDGLKUIHARRQ-HPJGCCTDSA-N	-1	0	430.913	5.061	40	30		IKEBRM
CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])sc2C1	ZINC000409088503	556791526	/nfs/dbraw/zinc/79/15/26/556791526.db2.gz	KDMZDQDAPAYNLO-PGCIDKTFSA-N	-1	0	428.470	5.043	40	30		IKEBRM
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)o1	ZINC000409089235	556791689	/nfs/dbraw/zinc/79/16/89/556791689.db2.gz	ZBIYMWZWNKGOPO-KXVDBBMMSA-N	-1	0	446.572	6.788	40	30		IKEBRM
COc1cccc(Oc2ccc(/N=C/c3cc(Br)cc([N+](=O)[O-])c3[O-])cc2)c1	ZINC000409107393	556798534	/nfs/dbraw/zinc/79/85/34/556798534.db2.gz	ROCFTDMEWYIWNB-WSDLNYQXSA-N	-1	0	443.253	5.614	40	30		IKEBRM
Cc1cc(/C=N/c2cc(C(=O)[O-])ccc2Cl)c(C)n1-c1ccc(Br)cc1	ZINC000408769216	556847071	/nfs/dbraw/zinc/84/70/71/556847071.db2.gz	PLLQWVMQJKYCET-FOKLQQMPSA-N	-1	0	431.717	5.959	40	30		IKEBRM
O=C(Nc1ccccc1)c1c(/N=C\c2cc(Cl)cc(Cl)c2[O-])sc2c1CCCC2	ZINC000408852794	556870197	/nfs/dbraw/zinc/87/01/97/556870197.db2.gz	IICMPNWGCQTDEI-ROTLSHHCSA-N	-1	0	445.371	6.642	40	30		IKEBRM
O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=Nc4ccccc4F)NC3=O)o2)cc1Cl	ZINC000408858778	556871375	/nfs/dbraw/zinc/87/13/75/556871375.db2.gz	LTNDOKMIJCTGRW-ZDLGFXPLSA-N	-1	0	442.855	5.329	40	30		IKEBRM
Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)S1	ZINC000408856135	556872016	/nfs/dbraw/zinc/87/20/16/556872016.db2.gz	BAGMCKPMPVBLAU-ODLFYWEKSA-N	-1	0	438.892	5.498	40	30		IKEBRM
CCN1C(=O)/C(=C\c2ccc(-c3ccccc3C(=O)[O-])o2)S/C1=N/c1ccc(C)c(C)c1	ZINC000409151766	556877202	/nfs/dbraw/zinc/87/72/02/556877202.db2.gz	DBBXOTRPWBAFFK-GNPNYKALSA-N	-1	0	446.528	5.886	40	30		IKEBRM
Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1	ZINC000408912736	556886635	/nfs/dbraw/zinc/88/66/35/556886635.db2.gz	RUWPNBVHBPNXAF-MUFRIFMGSA-N	-1	0	442.490	6.261	40	30		IKEBRM
COc1cccc(C=NNc2ccc(C(F)(F)F)cc2)c1OCc1cccc(C(=O)[O-])c1	ZINC000408931247	556894745	/nfs/dbraw/zinc/89/47/45/556894745.db2.gz	IXWMDTWGUJSHSW-WKIKZPBSSA-N	-1	0	444.409	5.437	40	30		IKEBRM
COCCCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2[O-])S/C1=N\c1ccccc1	ZINC000408937370	556896938	/nfs/dbraw/zinc/89/69/38/556896938.db2.gz	QLQLDSSSHJXCAH-NKHYKUCGSA-N	-1	0	437.348	5.340	40	30		IKEBRM
CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4C)o3)S2)cc1	ZINC000408949970	556897842	/nfs/dbraw/zinc/89/78/42/556897842.db2.gz	CUYBPRBBEVVKNT-FYJGNVAPSA-N	-1	0	448.500	5.244	40	30		IKEBRM
Cc1cc(/C=N\c2cc(C)c(C)c([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408952825	556898846	/nfs/dbraw/zinc/89/88/46/556898846.db2.gz	VYKCUQFFTNUCMT-MYKKPKGFSA-N	-1	0	425.872	5.721	40	30		IKEBRM
COC(=O)c1ccc(Cl)c(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)[O-])c3)c2C)c1	ZINC000408953635	556898878	/nfs/dbraw/zinc/89/88/78/556898878.db2.gz	WUXFWDADVXQUIB-OPEKNORGSA-N	-1	0	445.302	5.636	40	30		IKEBRM
Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408951870	556899250	/nfs/dbraw/zinc/89/92/50/556899250.db2.gz	VCEJQYYLIGEWPV-AUEPDCJTSA-N	-1	0	432.263	5.758	40	30		IKEBRM
O=C([O-])c1ccc(COc2ccccc2/C=N/c2ccc(-c3cc4ccccc4o3)cc2)cc1	ZINC000408960531	556900389	/nfs/dbraw/zinc/90/03/89/556900389.db2.gz	MNJTYLXXHRBNEF-UXHLAJHPSA-N	-1	0	447.490	7.128	40	30		IKEBRM
COc1ccc(N=C2S/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C(=O)N2C)cc1	ZINC000408960430	556900532	/nfs/dbraw/zinc/90/05/32/556900532.db2.gz	FSCUKALAWRLGQO-RNUJJHFSSA-N	-1	0	448.500	5.196	40	30		IKEBRM
Cc1cc(C)cc(N=C2S/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C(=O)N2C)c1	ZINC000408961869	556901134	/nfs/dbraw/zinc/90/11/34/556901134.db2.gz	OXMGXFHCAQLONZ-YRXXGERJSA-N	-1	0	446.528	5.804	40	30		IKEBRM
Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)S2)cc1	ZINC000408967727	556903512	/nfs/dbraw/zinc/90/35/12/556903512.db2.gz	XGCIKSWZNPRQSQ-HYARGMPZSA-N	-1	0	444.512	5.164	40	30		IKEBRM
COc1cc(-c2nc3cc(C)ccn3c2/N=C/c2cc([N+](=O)[O-])ccc2Cl)ccc1O	ZINC000408979902	556908765	/nfs/dbraw/zinc/90/87/65/556908765.db2.gz	DHVOCHWOODXSTO-WYMPLXKRSA-N	-1	0	436.855	5.336	40	30		IKEBRM
CN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)cc(Cl)c2[O-])C2=C1CC(C)(C)CC2=O	ZINC000409034182	556927560	/nfs/dbraw/zinc/92/75/60/556927560.db2.gz	MRJLLMDHHONXAB-UHFFFAOYSA-N	-1	0	448.390	6.014	40	30		IKEBRM
CCCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccc(C(=O)[O-])cc2)N(CC)C1=O	ZINC000409056031	556933896	/nfs/dbraw/zinc/93/38/96/556933896.db2.gz	FZTSANXHYVLDJC-XFKFKZEQSA-N	-1	0	444.940	5.451	40	30		IKEBRM
CCCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2cccc(C(=O)[O-])c2)N(CC)C1=O	ZINC000409066952	556942187	/nfs/dbraw/zinc/94/21/87/556942187.db2.gz	IHGJQZONTFFCKY-XFKFKZEQSA-N	-1	0	444.940	5.451	40	30		IKEBRM
COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(Br)c1[O-]	ZINC000409090262	556951640	/nfs/dbraw/zinc/95/16/40/556951640.db2.gz	LUXDHQRXXABAAS-DDFZXGMKSA-N	-1	0	447.398	5.998	40	30		IKEBRM
O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)c1[O-]	ZINC000409103736	556952119	/nfs/dbraw/zinc/95/21/19/556952119.db2.gz	FIIQGULHSKPQOS-SSDVNMTOSA-N	-1	0	447.672	6.259	40	30		IKEBRM
CCc1ccc(/N=C2/S/C(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)C(=O)N2C)cc1	ZINC000409167620	556980787	/nfs/dbraw/zinc/98/07/87/556980787.db2.gz	IWTFGNJESHCOEH-JEBQXDLDSA-N	-1	0	432.501	5.441	40	30		IKEBRM
COc1ccc(Oc2ccc(/N=C/c3cc(C)n(-c4ccccc4C(=O)[O-])c3C)cc2)cc1	ZINC000409210168	557004613	/nfs/dbraw/zinc/00/46/13/557004613.db2.gz	IMMJDWDPYGHFJB-OGLMXYFKSA-N	-1	0	440.499	6.344	40	30		IKEBRM
Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)cc1C	ZINC000409212353	557006897	/nfs/dbraw/zinc/00/68/97/557006897.db2.gz	QGRADZFQVKESPI-RPPGKUMJSA-N	-1	0	428.315	6.638	40	30		IKEBRM
COc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409215891	557010735	/nfs/dbraw/zinc/01/07/35/557010735.db2.gz	GEWCXUJVJDYFMR-RPPGKUMJSA-N	-1	0	444.314	6.338	40	30		IKEBRM
CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1C(=O)[O-]	ZINC000409217269	557012052	/nfs/dbraw/zinc/01/20/52/557012052.db2.gz	OLHTWMPQFWOQDL-UHFFFAOYSA-N	-1	0	438.520	5.184	40	30		IKEBRM
COc1cccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1O[C@H](C)C(=O)[O-]	ZINC000409236514	557018526	/nfs/dbraw/zinc/01/85/26/557018526.db2.gz	SNWLRCYLQSTMKI-HTTPAORQSA-N	-1	0	433.548	5.766	40	30		IKEBRM
COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409211296	557023460	/nfs/dbraw/zinc/02/34/60/557023460.db2.gz	NIRUDFZYBADDDX-RPPGKUMJSA-N	-1	0	444.314	6.338	40	30		IKEBRM
COc1cccc(Oc2ccc(/N=C/c3cc(C)n(-c4ccccc4C(=O)[O-])c3C)cc2)c1	ZINC000409212464	557026340	/nfs/dbraw/zinc/02/63/40/557026340.db2.gz	MMBCMMIKDYSXHD-OGLMXYFKSA-N	-1	0	440.499	6.344	40	30		IKEBRM
Cc1ccc(C)c(/N=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)c1	ZINC000409213329	557027136	/nfs/dbraw/zinc/02/71/36/557027136.db2.gz	SJVMGOAIVWVYNP-DHRITJCHSA-N	-1	0	438.321	6.094	40	30		IKEBRM
CCOc1ccc(C(=O)[O-])cc1C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2	ZINC000409214009	557028008	/nfs/dbraw/zinc/02/80/08/557028008.db2.gz	WPHBRLQSVFEQSY-UHFFFAOYSA-N	-1	0	438.520	5.184	40	30		IKEBRM
Cc1c(Cl)cccc1/N=C/c1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1	ZINC000409215262	557028882	/nfs/dbraw/zinc/02/88/82/557028882.db2.gz	WHQOTFDACKNTOT-KBKYJPHKSA-N	-1	0	448.733	6.983	40	30		IKEBRM
Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)cc1Cl	ZINC000409215843	557030142	/nfs/dbraw/zinc/03/01/42/557030142.db2.gz	BPXZKPNJLOAZDB-KBKYJPHKSA-N	-1	0	448.733	6.983	40	30		IKEBRM
CCN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)S/C1=N/c1ccc(F)cc1	ZINC000409250480	557030493	/nfs/dbraw/zinc/03/04/93/557030493.db2.gz	MFELKRPIFJFNBQ-DMDNQVQLSA-N	-1	0	436.464	5.408	40	30		IKEBRM
CCc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)cc1	ZINC000409216845	557031380	/nfs/dbraw/zinc/03/13/80/557031380.db2.gz	OXZWOMUYEVPYMB-LGJNPRDNSA-N	-1	0	428.315	6.584	40	30		IKEBRM
Cc1cccc(/N=C/c2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)c1C	ZINC000409217141	557031561	/nfs/dbraw/zinc/03/15/61/557031561.db2.gz	SLNNNMIWNKUSJC-DHRITJCHSA-N	-1	0	438.321	6.094	40	30		IKEBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(N=Nc3ccccc3)cc2)C1=O	ZINC000408531850	557031954	/nfs/dbraw/zinc/03/19/54/557031954.db2.gz	HJFDYKNWZJERKH-HAHGTXQASA-N	-1	0	425.448	5.012	40	30		IKEBRM
Cc1ccc(N=Nc2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)cc2)cc1	ZINC000408534828	557032670	/nfs/dbraw/zinc/03/26/70/557032670.db2.gz	MQCHFRWKJYSVHF-HSGJDDQRSA-N	-1	0	439.475	5.320	40	30		IKEBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(N=Nc4ccccc4)cc3)C2=O)c1	ZINC000408535365	557032718	/nfs/dbraw/zinc/03/27/18/557032718.db2.gz	NUELQQUAOXYLPP-BKOKDNAXSA-N	-1	0	425.448	5.012	40	30		IKEBRM
Cc1ccc(N=Nc2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccccc4C)C3=O)cc2)cc1	ZINC000408537462	557033294	/nfs/dbraw/zinc/03/32/94/557033294.db2.gz	VPCKXHGCASLWHQ-VFGCCNOKSA-N	-1	0	439.475	5.320	40	30		IKEBRM
O=C([O-])c1ccc(Cn2cc(/C=N/c3ccc(Oc4ccccc4)cc3)c3ccccc32)o1	ZINC000408542523	557033906	/nfs/dbraw/zinc/03/39/06/557033906.db2.gz	MALQXLFNJIZZJM-LQKURTRISA-N	-1	0	436.467	6.524	40	30		IKEBRM
N#Cc1ccccc1-c1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])o1	ZINC000408632401	557073580	/nfs/dbraw/zinc/07/35/80/557073580.db2.gz	FNQLKAYOXPWJHL-ODLFYWEKSA-N	-1	0	449.875	5.739	40	30		IKEBRM
C=CCOc1ccc(Br)cc1/C=C(\Sc1nc2ccccc2o1)C(=O)[O-]	ZINC000408634793	557076673	/nfs/dbraw/zinc/07/66/73/557076673.db2.gz	URSLHAZPEWONOQ-BOPFTXTBSA-N	-1	0	432.295	5.373	40	30		IKEBRM
C=CCOc1cccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)n2CC)C(=O)[O-])c1	ZINC000408635306	557077347	/nfs/dbraw/zinc/07/73/47/557077347.db2.gz	YYUOUEIJOBHQFI-RGEXLXHISA-N	-1	0	441.940	5.401	40	30		IKEBRM
Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cccn2-c2ccc(C(=O)[O-])cc2)S1	ZINC000409255025	557081268	/nfs/dbraw/zinc/08/12/68/557081268.db2.gz	YYXWNUOUFPTPST-XDHOZWIPSA-N	-1	0	437.908	5.029	40	30		IKEBRM
N#Cc1ccc(COc2ccccc2/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])cc1	ZINC000408633911	557082399	/nfs/dbraw/zinc/08/23/99/557082399.db2.gz	NGQWTCJRYMQXKL-XKZIYDEJSA-N	-1	0	427.485	5.231	40	30		IKEBRM
N#Cc1c(/N=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)oc(-c2ccco2)c1-c1ccco1	ZINC000409381803	557091177	/nfs/dbraw/zinc/09/11/77/557091177.db2.gz	JTLSMVYBVZAHBC-MZJWZYIUSA-N	-1	0	438.395	6.380	40	30		IKEBRM
COc1cc(/C=N/c2ccc(Br)cc2)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000409384373	557092203	/nfs/dbraw/zinc/09/22/03/557092203.db2.gz	ANUQIDCJHJZVNE-SSDVNMTOSA-N	-1	0	430.254	5.079	40	30		IKEBRM
CCCCCCCCCCCC(=O)Nc1cccc(C(=O)Nc2cccc(C(=O)[O-])c2)c1	ZINC000408673214	557096527	/nfs/dbraw/zinc/09/65/27/557096527.db2.gz	QHHFJIYKSUOFQO-UHFFFAOYSA-N	-1	0	438.568	6.497	40	30		IKEBRM
CCCCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1	ZINC000408672266	557096540	/nfs/dbraw/zinc/09/65/40/557096540.db2.gz	NDULEIWDEWXXNE-UHFFFAOYSA-N	-1	0	438.568	6.497	40	30		IKEBRM
COc1cc(/C=N\c2ccccc2Br)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000409386986	557098699	/nfs/dbraw/zinc/09/86/99/557098699.db2.gz	YAENOUZLXDHXQU-JJFYIABZSA-N	-1	0	430.254	5.079	40	30		IKEBRM
Cc1cc(/C=N/c2cccc(Cl)c2C)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000409386661	557098734	/nfs/dbraw/zinc/09/87/34/557098734.db2.gz	WFZULUKCIJNNNX-BRJLIKDPSA-N	-1	0	426.969	6.445	40	30		IKEBRM
N#Cc1c(/N=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)oc(-c2ccco2)c1-c1ccco1	ZINC000409389112	557100539	/nfs/dbraw/zinc/10/05/39/557100539.db2.gz	ZJBGVECPXSKBCM-MZJWZYIUSA-N	-1	0	438.395	6.380	40	30		IKEBRM
Cc1ccccc1N=Nc1c(=O)n(-c2nc(-c3ccccc3)cs2)[n-]c1-c1ccccc1	ZINC000100530619	557115124	/nfs/dbraw/zinc/11/51/24/557115124.db2.gz	KLYQHVASGGCTIR-WEMUOSSPSA-N	-1	0	437.528	5.338	40	30		IKEBRM
Cc1c(C(=O)[O-])cccc1-c1ccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)o1	ZINC000409405226	557144626	/nfs/dbraw/zinc/14/46/26/557144626.db2.gz	NPFBTMRUFLJRKD-UHFFFAOYSA-N	-1	0	449.466	5.212	40	30		IKEBRM
CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4C)o3)S2)cc1	ZINC000408762609	557176922	/nfs/dbraw/zinc/17/69/22/557176922.db2.gz	LISKBYYKSBUSMA-BKUYFWCQSA-N	-1	0	432.501	5.407	40	30		IKEBRM
Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)S1	ZINC000408765837	557188646	/nfs/dbraw/zinc/18/86/46/557188646.db2.gz	YHUNWFCDXJYZLP-ODLFYWEKSA-N	-1	0	438.892	5.498	40	30		IKEBRM
C=C(C)[C@H]1C[C@H](c2ccccc2Cl)[C@@H](C)O[C@@H]1c1cc(C(=O)[O-])ccc1OCCCC	ZINC000585263995	557204542	/nfs/dbraw/zinc/20/45/42/557204542.db2.gz	WNDPMJWDANZPBO-DUHPJZPXSA-N	-1	0	442.983	7.043	40	30		IKEBRM
Cc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(C)n1-c1ccccc1C	ZINC000408792495	557211460	/nfs/dbraw/zinc/21/14/60/557211460.db2.gz	KGXOHCHATZILIU-AMQQTSRNSA-N	-1	0	445.544	5.335	40	30		IKEBRM
Cc1cc2ccccc2c(/N=C\c2cc(Br)cc(Br)c2[O-])c1C#N	ZINC000100133770	557241897	/nfs/dbraw/zinc/24/18/97/557241897.db2.gz	NHWRJSZLHORWDI-RMORIDSASA-N	-1	0	444.126	6.001	40	30		IKEBRM
O=C1/C(=C\c2cc(Cl)c([O-])c(Cl)c2)S/C(=N\c2ccccc2)N1Cc1ccco1	ZINC000100331244	557257696	/nfs/dbraw/zinc/25/76/96/557257696.db2.gz	VPMSMQTXADUFCU-UBFHDEFQSA-N	-1	0	445.327	6.096	40	30		IKEBRM
CCCCCCCCCCC=C1C(=O)C(=Nc2ccc(NC(C)=O)cc2)C=C([O-])C1O	ZINC000100393407	557259604	/nfs/dbraw/zinc/25/96/04/557259604.db2.gz	RMMFQSSDYBDNDH-UHFFFAOYSA-N	-1	0	426.557	5.826	40	30	biogenic,in-vitro	IKEBRM
CCCCCCCCCCC(=N\O)/C(=N/O)c1cc(C)ccc1OC(=O)c1ccccc1	ZINC000100928098	557278861	/nfs/dbraw/zinc/27/88/61/557278861.db2.gz	CHEYMHAQGXUSCW-IVZAMVAPSA-N	-1	0	438.568	6.754	40	30		IKEBRM
CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)N(CCCC)CCCC	ZINC000103663302	557317991	/nfs/dbraw/zinc/31/79/91/557317991.db2.gz	PKGIJUSIJXTQFL-QFIPXVFZSA-N	-1	0	440.669	5.686	40	30		IKEBRM
O=C([O-])[C@@H](CSC(c1ccccc1)c1ccccc1)/N=C\c1c(O)ccc2ccccc21	ZINC000104117537	557320688	/nfs/dbraw/zinc/32/06/88/557320688.db2.gz	VYRZOJFIXYKXLK-WVVPCBRLSA-N	-1	0	441.552	5.940	40	30		IKEBRM
Cc1ccc2c(c1)N[C@H](c1cccc(/N=C/c3cc(Cl)cc(Cl)c3[O-])c1)c1cccn1-2	ZINC000104214034	557322262	/nfs/dbraw/zinc/32/22/62/557322262.db2.gz	ZXGVFQHHLQGPAQ-WIGBRQBFSA-N	-1	0	448.353	7.064	40	30		IKEBRM
CCCCCCCCCCCCCCCCCC(=O)O[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000104255560	557323369	/nfs/dbraw/zinc/32/33/69/557323369.db2.gz	LMWLCVFSYZGFDM-RUZDIDTESA-N	-1	0	432.645	7.487	40	30		IKEBRM
CCCCCCCCCCCCC[C@H](CCCCCCCCCCC)C[C@H](C)C(=O)[O-]	ZINC000105406325	557331499	/nfs/dbraw/zinc/33/14/99/557331499.db2.gz	JFXBYIDWKXORSN-NSOVKSMOSA-N	-1	0	438.781	10.335	40	30		IKEBRM
CCc1ccc(/N=C2/NC(=O)/C(=C/c3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)S2)cc1	ZINC000015227175	557460593	/nfs/dbraw/zinc/46/05/93/557460593.db2.gz	FUSNXUJZFDXTQJ-HMAPJEAMSA-N	-1	0	445.544	5.246	40	30		IKEBRM
Oc1ccc(Br)cc1/C=N/c1ccc(C23C[C@H]4C[C@H](CC(O)(C4)C2)C3)cc1	ZINC000017838037	557495397	/nfs/dbraw/zinc/49/53/97/557495397.db2.gz	SKBIBFMWLDMRFV-ANXDTISPSA-N	-1	0	426.354	5.488	40	30		IKEBRM
C=CCOc1ccc([C@@H]2Nc3c(C(=O)[O-])cc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000058928840	557813587	/nfs/dbraw/zinc/81/35/87/557813587.db2.gz	CXXOJIOJWCEEMN-UWVAXJGDSA-N	-1	0	426.310	5.539	40	30		IKEBRM
COc1cc(/C=N/c2cccc(Br)c2)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000059249830	557819224	/nfs/dbraw/zinc/81/92/24/557819224.db2.gz	LQYDYIGSRBILRW-ZMOGYAJESA-N	-1	0	440.293	5.486	40	30		IKEBRM
COc1cc(/C=N/c2ccc(-c3ccccc3)cc2)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000059302740	557822118	/nfs/dbraw/zinc/82/21/18/557822118.db2.gz	YPANHYCKSGAJSP-RDRPBHBLSA-N	-1	0	437.495	6.390	40	30		IKEBRM
Cc1ccc(-c2nc(N=NCc3cc([N+](=O)[O-])ccc3[O-])sc2-c2ccccc2)cc1	ZINC000059484294	557825318	/nfs/dbraw/zinc/82/53/18/557825318.db2.gz	ZFKSRGWFXVNJFT-ZVHZXABRSA-N	-1	0	430.489	5.845	40	30		IKEBRM
O=C([O-])c1ccc(/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)cc1	ZINC000059503600	557826928	/nfs/dbraw/zinc/82/69/28/557826928.db2.gz	QQGYUCJLFFYXDO-DHRITJCHSA-N	-1	0	435.888	6.223	40	30		IKEBRM
C=CCc1cc(/C=N/c2ccc(Br)c(Cl)c2)cc(OC)c1OCC(=O)[O-]	ZINC000059679525	557828546	/nfs/dbraw/zinc/82/85/46/557828546.db2.gz	TUXNHMDTDZVWLA-LSHDLFTRSA-N	-1	0	438.705	5.054	40	30		IKEBRM
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1cc(Br)cc(Cl)c1[O-]	ZINC000096640213	557838468	/nfs/dbraw/zinc/83/84/68/557838468.db2.gz	BQKVPNODWHEEJH-IOXNKQMXSA-N	-1	0	438.587	5.181	40	30		IKEBRM
N#Cc1ccccc1CSc1nc2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2s1	ZINC000013151579	562985467	/nfs/dbraw/zinc/98/54/67/562985467.db2.gz	DXZKBSBAKOSVPN-UHFFFAOYSA-N	-1	0	445.525	5.411	40	30		IKEBRM
C=C(C)[C@H]1C[C@H](c2ccccc2Cl)[C@H](C)O[C@@H]1c1cc(C(=O)[O-])ccc1OCCCC	ZINC000585263997	568873661	/nfs/dbraw/zinc/87/36/61/568873661.db2.gz	WNDPMJWDANZPBO-ZPIFVSINSA-N	-1	0	442.983	7.043	40	30		IKEBRM
C=C(C)[C@H]1C[C@@H](c2ccccc2Cl)[C@H](C)O[C@@H]1c1cc(CC(=O)[O-])ccc1OCCC	ZINC000585263975	568873687	/nfs/dbraw/zinc/87/36/87/568873687.db2.gz	RYJBKCCWHBCCHV-XZCJXEOWSA-N	-1	0	442.983	6.582	40	30		IKEBRM
C=C1C(=O)C(=O)C(CCCCCCCCCCCCC[C@@H]2O[C@H]2CCCC)=C([O-])C1O	ZINC000100502367	568904603	/nfs/dbraw/zinc/90/46/03/568904603.db2.gz	CQYLCXGDVUAPIN-VXKWHMMOSA-N	-1	0	434.617	6.811	40	30		IKEBRM
COCc1c(C#N)c(=O)[n-]c(C=Cc2ccc(-c3cc(Cl)ccc3C)o2)c1[N+](=O)[O-]	ZINC000033439013	569244137	/nfs/dbraw/zinc/24/41/37/569244137.db2.gz	MMFPURQRQIDMDA-FNORWQNLSA-N	-1	0	425.828	5.106	40	30		IKEBRM
CCc1nnc(C2=C([O-])C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)SC2=N)s1	ZINC000033533462	569261776	/nfs/dbraw/zinc/26/17/76/569261776.db2.gz	QQKAWCBLQQWTDL-JGOBEUKDSA-N	-1	0	426.542	5.065	40	30		IKEBRM
CN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000035656927	569262039	/nfs/dbraw/zinc/26/20/39/569262039.db2.gz	SGAPMZGCDITLEU-IKMQVZDESA-N	-1	0	444.512	5.198	40	30		IKEBRM
CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc(Cl)c4[O-])c3)nc2c1	ZINC000038180006	569262100	/nfs/dbraw/zinc/26/21/00/569262100.db2.gz	MHYBWYHRROVXPX-HWDKICEFSA-N	-1	0	439.342	7.771	40	30		IKEBRM
Cc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])c(C)n1-c1cccc(Cl)c1C	ZINC000107607202	569262241	/nfs/dbraw/zinc/26/22/41/569262241.db2.gz	WHDRFNUQYCELMY-LOLYAUBJSA-N	-1	0	427.982	5.930	40	30		IKEBRM
C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3)o2)S/C1=N\c1ccccc1	ZINC000108164100	569262400	/nfs/dbraw/zinc/26/24/00/569262400.db2.gz	IQUKUNZFOMZQIY-LPCFMYKTSA-N	-1	0	430.485	5.435	40	30		IKEBRM
CCCCCCCCCCCC[C@@H](Oc1ccc(OC(C)=O)c(CC(C)C)c1)C(=O)[O-]	ZINC000111882108	569289265	/nfs/dbraw/zinc/28/92/65/569289265.db2.gz	LMGNFMQANDKMEB-RUZDIDTESA-N	-1	0	434.617	6.953	40	30		IKEBRM
COc1ccc(Br)c(/C=N/c2ccc(-c3nc4ccccc4o3)c([O-])c2)c1O	ZINC000003140570	569440869	/nfs/dbraw/zinc/44/08/69/569440869.db2.gz	YXDGRDFYLGMKFA-FOKLQQMPSA-N	-1	0	439.265	5.428	40	30		IKEBRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c1[O-]	ZINC000003169578	569441132	/nfs/dbraw/zinc/44/11/32/569441132.db2.gz	JDKHGZAYEHQSEM-AUEPDCJTSA-N	-1	0	428.231	6.166	40	30		IKEBRM
Cc1ccc(-c2cnc(N)c(C#N)c2-c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)cc1	ZINC000408815042	569585172	/nfs/dbraw/zinc/58/51/72/569585172.db2.gz	TVFKJEHLQSVWEY-UHFFFAOYSA-N	-1	0	429.863	5.790	40	30		IKEBRM
C=CCOc1c(Br)cc(Br)cc1CNc1cccc(C(=O)[O-])c1	ZINC000408607328	193975970	/nfs/dbraw/zinc/97/59/70/193975970.db2.gz	JYPSKNDDWCKALJ-UHFFFAOYSA-N	-1	0	441.119	5.087	40	30		IKEBRM
CCCCCCCCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)[O-]	ZINC000059696285	519994882	/nfs/dbraw/zinc/99/48/82/519994882.db2.gz	SAIMYQVCHHQQMU-UHFFFAOYSA-N	-1	0	447.726	6.812	40	30	in-vitro	IKEBRM
CCCCCCCCCCCCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1	ZINC000059663758	520012339	/nfs/dbraw/zinc/01/23/39/520012339.db2.gz	BHGSBKZZRTTWGN-UHFFFAOYSA-N	-1	0	425.569	6.937	40	30		IKEBRM
CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2sc3c(c2C#N)CC[C@@H](c2ccccc2)C3)C1	ZINC000017099068	520841080	/nfs/dbraw/zinc/84/10/80/520841080.db2.gz	BDGUZVIBYQBJJB-RLLQIKCJSA-N	-1	0	434.561	5.278	40	30		IKEBRM
CC1CCC(C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)[O-])C2CCC(O)CC2)CC1	ZINC000052509459	520910977	/nfs/dbraw/zinc/91/09/77/520910977.db2.gz	WPMJNLCLKAKMLA-UHFFFAOYSA-N	-1	0	445.625	5.307	40	30	in-vitro	IKEBRM
Cc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccccc1C(=O)[O-]	ZINC000096860836	526096738	/nfs/dbraw/zinc/09/67/38/526096738.db2.gz	DOAYMSNAJIYSMX-GATIEOLUSA-N	-1	0	446.385	5.165	40	30		IKEBRM
[O-]c1c(Br)cc(Br)cc1/C=N\c1ccc(Br)cc1	ZINC000012428965	526323721	/nfs/dbraw/zinc/32/37/21/526323721.db2.gz	CVXMCWODKNBQFO-IDUWFGFVSA-N	-1	0	433.925	5.430	40	30		IKEBRM
[O-]c1c(Br)cc(Cl)cc1/C=N/c1ccc(-c2nc3ccccc3o2)cc1	ZINC000003059692	526325037	/nfs/dbraw/zinc/32/50/37/526325037.db2.gz	FHGVWDMNDIAYQP-FOKLQQMPSA-N	-1	0	427.685	6.367	40	30		IKEBRM
O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc3[nH]c(-c4ccc(Cl)cc4Cl)nc3c2)c1	ZINC000000825643	555565199	/nfs/dbraw/zinc/56/51/99/555565199.db2.gz	RWZUMZJLXYFMFL-AUEPDCJTSA-N	-1	0	427.247	5.901	40	30		IKEBRM
COCc1c(C#N)c(=O)[n-]c(C=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1[N+](=O)[O-]	ZINC000035103963	555773023	/nfs/dbraw/zinc/77/30/23/555773023.db2.gz	PYIWEDIWTJBQNP-ZZXKWVIFSA-N	-1	0	446.246	5.451	40	30		IKEBRM
C=CCOc1ccccc1/C=C(\Sc1nnc(-c2cc(Cl)ccc2OC)o1)C(=O)[O-]	ZINC000408631174	556002677	/nfs/dbraw/zinc/00/26/77/556002677.db2.gz	CMOLWUUTZRYCDK-WQRHYEAKSA-N	-1	0	444.896	5.181	40	30		IKEBRM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	ZINC000035419271	556100533	/nfs/dbraw/zinc/10/05/33/556100533.db2.gz	SWXIQYPCVQGIKS-UHFFFAOYSA-N	-1	0	443.333	5.126	40	30		IKEBRM
Cc1cc(/C=N\c2ccccc2Br)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408853726	556442551	/nfs/dbraw/zinc/44/25/51/556442551.db2.gz	XANBYLILRNBMMA-KSEXSDGBSA-N	-1	0	431.717	5.959	40	30		IKEBRM
O=C1/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)S/C(=N\c2ccccc2F)N1C1CCCCC1	ZINC000408855093	556444009	/nfs/dbraw/zinc/44/40/09/556444009.db2.gz	DHJUSDSHZOFOKT-AQWOHROKSA-N	-1	0	441.484	5.376	40	30		IKEBRM
Cc1ccc2nc(-c3cc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4[O-])ccc3Cl)oc2c1	ZINC000014920399	556458641	/nfs/dbraw/zinc/45/86/41/556458641.db2.gz	ZAORODYIESUYKA-YSURURNPSA-N	-1	0	442.258	6.474	40	30		IKEBRM
O=C1/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)S/C(=N\c2ccccc2)N1Cc1ccccc1	ZINC000408906882	556492329	/nfs/dbraw/zinc/49/23/29/556492329.db2.gz	DWDJMNQUMZXNQQ-NFEGURHZSA-N	-1	0	431.473	5.105	40	30		IKEBRM
CCOCCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2[O-])S/C1=N/c1ccccc1	ZINC000408929469	556523239	/nfs/dbraw/zinc/52/32/39/556523239.db2.gz	JWSMEPBLLXPHOT-RVIYGNEXSA-N	-1	0	437.348	5.340	40	30		IKEBRM
CC(C)C(=O)Nc1cccc(/N=C/c2cc(Br)cc(Br)c2[O-])c1	ZINC000031854271	556527238	/nfs/dbraw/zinc/52/72/38/556527238.db2.gz	MYPIDUAGIKJSKG-AWQFTUOYSA-N	-1	0	440.135	5.262	40	30		IKEBRM
[O-]c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1Br	ZINC000408945943	556546231	/nfs/dbraw/zinc/54/62/31/556546231.db2.gz	XSLBOQDZPZXFRQ-SKKTVYBZSA-N	-1	0	445.360	6.732	40	30		IKEBRM
COC(=O)c1ccc(-c2ccc(/C=N\c3ccc([O-])c(-c4nc5ccccc5o4)c3)o2)cc1	ZINC000016194225	556589597	/nfs/dbraw/zinc/58/95/97/556589597.db2.gz	ZLTJOFHBQOAPIS-DICXZTSXSA-N	-1	0	438.439	5.998	40	30		IKEBRM
COc1ccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2[O-])cc1Br	ZINC000016226581	556592689	/nfs/dbraw/zinc/59/26/89/556592689.db2.gz	IBKXMTRPQNLHNX-YDZHTSKRSA-N	-1	0	441.281	5.413	40	30		IKEBRM
Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)c1[O-]	ZINC000016269549	556596350	/nfs/dbraw/zinc/59/63/50/556596350.db2.gz	MSCKFXVKMYTNCZ-YSURURNPSA-N	-1	0	425.803	5.960	40	30		IKEBRM
O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2ccccc2N2CCCC2)c1[O-]	ZINC000016450172	556609229	/nfs/dbraw/zinc/60/92/29/556609229.db2.gz	IILOUIWBXRYJMO-WGOQTCKBSA-N	-1	0	435.911	5.895	40	30		IKEBRM
O=C(Nc1ccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2[O-])cc1)c1ccco1	ZINC000016480955	556611648	/nfs/dbraw/zinc/61/16/48/556611648.db2.gz	XRQPTDCGSSTARC-WGOQTCKBSA-N	-1	0	441.443	5.487	40	30		IKEBRM
[O-]c1c(Br)cc(Cl)cc1/C=N/c1cccc(-c2nc3ccccc3[nH]2)c1	ZINC000016525146	556614071	/nfs/dbraw/zinc/61/40/71/556614071.db2.gz	ARYPXBNQBZDURK-FOKLQQMPSA-N	-1	0	426.701	6.102	40	30		IKEBRM
CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c1[O-]	ZINC000016688206	556626030	/nfs/dbraw/zinc/62/60/30/556626030.db2.gz	HNQIUOQPDDNNDU-WYMPLXKRSA-N	-1	0	436.855	5.646	40	30		IKEBRM
COc1cc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc([N+](=O)[O-])c1[O-]	ZINC000408978869	556634274	/nfs/dbraw/zinc/63/42/74/556634274.db2.gz	NYVLPIZWGVOFDF-ZMOGYAJESA-N	-1	0	437.521	6.231	40	30		IKEBRM
O=C([O-])COc1ccc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc1	ZINC000408992051	556708696	/nfs/dbraw/zinc/70/86/96/556708696.db2.gz	ZIVJSACHUUSPNK-KWZOLKRCSA-N	-1	0	436.533	5.087	40	30		IKEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)o1	ZINC000409086092	556790619	/nfs/dbraw/zinc/79/06/19/556790619.db2.gz	QCSJYRYFFFAHHG-YNCTYVJUSA-N	-1	0	446.572	6.788	40	30		IKEBRM
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc(Br)c(Cl)c2)c1	ZINC000409093591	556793757	/nfs/dbraw/zinc/79/37/57/556793757.db2.gz	AZPNICIBKBGUCD-UBKPWBPPSA-N	-1	0	434.471	5.229	40	30		IKEBRM
CCOc1cc([N+](=O)[O-])cc(/C=N/c2cc(-c3nc4cc(C)ccc4o3)ccc2C)c1[O-]	ZINC000008935080	556852777	/nfs/dbraw/zinc/85/27/77/556852777.db2.gz	MSVZVFYBFZUNLH-DHRITJCHSA-N	-1	0	431.448	5.875	40	30		IKEBRM
Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)S2)c1	ZINC000408783150	556855021	/nfs/dbraw/zinc/85/50/21/556855021.db2.gz	LKEXRRJQLPUBLO-ODLFYWEKSA-N	-1	0	438.892	5.498	40	30		IKEBRM
Cc1cc(/C=N/c2ccc(C(=O)[O-])c(Cl)c2)c(C)n1-c1ccc(Br)cc1	ZINC000408786101	556856265	/nfs/dbraw/zinc/85/62/65/556856265.db2.gz	MBUPILSNBPOICM-FOKLQQMPSA-N	-1	0	431.717	5.959	40	30		IKEBRM
C[C@H](Oc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1)C(=O)[O-]	ZINC000408817123	556863909	/nfs/dbraw/zinc/86/39/09/556863909.db2.gz	XDMKMXGMKYAWSP-CJYHTDBRSA-N	-1	0	444.512	5.347	40	30		IKEBRM
C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)S/C1=N\c1ccccc1	ZINC000408873823	556875817	/nfs/dbraw/zinc/87/58/17/556875817.db2.gz	XEHFUEMNQQYANE-CUYFYIMPSA-N	-1	0	437.521	5.483	40	30		IKEBRM
C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)S/C1=N\c1ccccc1	ZINC000408873825	556875885	/nfs/dbraw/zinc/87/58/85/556875885.db2.gz	XEHFUEMNQQYANE-JADYIYTDSA-N	-1	0	437.521	5.483	40	30		IKEBRM
O=C([O-])c1cccc(COc2ccc(C=NNc3ccc(C(F)(F)F)cc3)cc2Cl)c1	ZINC000408932809	556895035	/nfs/dbraw/zinc/89/50/35/556895035.db2.gz	ZICINHXWARZWMT-PPDIBHTLSA-N	-1	0	448.828	6.082	40	30		IKEBRM
[O-]c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1Br	ZINC000408945934	556897438	/nfs/dbraw/zinc/89/74/38/556897438.db2.gz	XSLBOQDZPZXFRQ-BGXAXVOZSA-N	-1	0	445.360	6.732	40	30		IKEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)o1	ZINC000408961295	556900943	/nfs/dbraw/zinc/90/09/43/556900943.db2.gz	MIRIWRIGHSBACC-ODLFYWEKSA-N	-1	0	438.892	5.498	40	30		IKEBRM
COc1cc(/C=N\c2ccc(Cl)cc2Cl)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000408965020	556902315	/nfs/dbraw/zinc/90/23/15/556902315.db2.gz	FRLWVIKZKVBWRL-ROTLSHHCSA-N	-1	0	430.287	6.030	40	30		IKEBRM
Cc1ccc(-c2nc(N=NCc3cc([N+](=O)[O-])ccc3[O-])sc2-c2ccccc2)cc1C	ZINC000408974804	556905391	/nfs/dbraw/zinc/90/53/91/556905391.db2.gz	HATNPWDFOOHVDK-AFUMVMLFSA-N	-1	0	444.516	6.154	40	30		IKEBRM
Cc1c(C(=O)[O-])cccc1-c1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1	ZINC000409066430	556941875	/nfs/dbraw/zinc/94/18/75/556941875.db2.gz	ORYNYSOWZHILBB-YSURURNPSA-N	-1	0	433.342	5.326	40	30		IKEBRM
COc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409072319	556945974	/nfs/dbraw/zinc/94/59/74/556945974.db2.gz	UXJZYFRBWHTJOH-WYMPLXKRSA-N	-1	0	440.839	5.285	40	30		IKEBRM
CC(C)Oc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccc(C(=O)[O-])cc2)N(C)C1=O	ZINC000409073920	556946973	/nfs/dbraw/zinc/94/69/73/556946973.db2.gz	UODYGKDQEFGKRQ-UXTWZOPHSA-N	-1	0	430.913	5.059	40	30		IKEBRM
O=C1/C(=C\c2cc(Cl)c([O-])c(Cl)c2)S/C(=N\c2ccccc2)N1c1ccccc1	ZINC000409081632	556947630	/nfs/dbraw/zinc/94/76/30/556947630.db2.gz	HGXLPQRSIUSTSJ-ZVERUENYSA-N	-1	0	441.339	6.508	40	30		IKEBRM
CC(C)c1ccc(/N=C/c2cc(Br)cc(I)c2[O-])cc1	ZINC000409096721	556953232	/nfs/dbraw/zinc/95/32/32/556953232.db2.gz	KKFQXXINAQBPIG-DJKKODMXSA-N	-1	0	444.110	5.633	40	30		IKEBRM
Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2cccn2-c2cccc(C(=O)[O-])c2)S1	ZINC000409120279	556961311	/nfs/dbraw/zinc/96/13/11/556961311.db2.gz	UWGHDLVIOBBYFO-UNOMPAQXSA-N	-1	0	437.908	5.029	40	30		IKEBRM
Cc1cccc(/N=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)c1C	ZINC000409200033	556999232	/nfs/dbraw/zinc/99/92/32/556999232.db2.gz	FQYGUCAHWQQPGB-DHRITJCHSA-N	-1	0	438.321	6.094	40	30		IKEBRM
Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)c(C)c1	ZINC000409216551	557011337	/nfs/dbraw/zinc/01/13/37/557011337.db2.gz	MCUYMLSYVTYVAI-DHRITJCHSA-N	-1	0	438.321	6.094	40	30		IKEBRM
CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)cc1	ZINC000409202494	557013810	/nfs/dbraw/zinc/01/38/10/557013810.db2.gz	REVAGPYEWIDAGB-VULFUBBASA-N	-1	0	439.895	5.775	40	30		IKEBRM
Cc1cc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409202366	557013880	/nfs/dbraw/zinc/01/38/80/557013880.db2.gz	SBSFHSZBSSHEBV-NGZUUMTHSA-N	-1	0	431.517	5.026	40	30		IKEBRM
CCOc1cccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1OCC(=O)[O-]	ZINC000409211232	557023635	/nfs/dbraw/zinc/02/36/35/557023635.db2.gz	NCVDGPGXDAUTEP-PASSITCSSA-N	-1	0	440.565	5.383	40	30		IKEBRM
CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409214574	557029211	/nfs/dbraw/zinc/02/92/11/557029211.db2.gz	YHABGNLBXOBLOD-MZJWZYIUSA-N	-1	0	437.923	6.383	40	30		IKEBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(N=Nc4ccccc4)cc3)C2=O)cc1	ZINC000408528409	557031208	/nfs/dbraw/zinc/03/12/08/557031208.db2.gz	BDSCSDSCOXLEBH-BKOKDNAXSA-N	-1	0	425.448	5.012	40	30		IKEBRM
Cc1cc(/C=N/c2ccc(Oc3ccccc3Cl)cc2)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409216839	557031301	/nfs/dbraw/zinc/03/13/01/557031301.db2.gz	MARJLERMZNSHLT-LQKURTRISA-N	-1	0	444.918	6.989	40	30		IKEBRM
Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(C(=O)[O-])c3)S2)cc1	ZINC000408529303	557031396	/nfs/dbraw/zinc/03/13/96/557031396.db2.gz	GWHMOGFLXNLMGP-HMAPJEAMSA-N	-1	0	444.512	5.164	40	30		IKEBRM
CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)cc1	ZINC000409217097	557031542	/nfs/dbraw/zinc/03/15/42/557031542.db2.gz	RNHTXEOSXKMHEP-LGJNPRDNSA-N	-1	0	444.314	6.420	40	30		IKEBRM
Cc1cc(/C=N/c2ccc(Br)c(Cl)c2)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409218166	557031960	/nfs/dbraw/zinc/03/19/60/557031960.db2.gz	YZWRRMOOPXRYEM-FOKLQQMPSA-N	-1	0	431.717	5.959	40	30		IKEBRM
CC(C)(CCC#N)c1ccc(C(=O)N(Cc2ccccc2)Cc2ccc(C(=O)[O-])cc2)cc1	ZINC000585091834	557032411	/nfs/dbraw/zinc/03/24/11/557032411.db2.gz	WXAKVOSZBSDUFO-UHFFFAOYSA-N	-1	0	440.543	5.809	40	30		IKEBRM
Cc1ccc(N=Nc2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccccc4C)C3=O)cc2)cc1	ZINC000408537461	557033257	/nfs/dbraw/zinc/03/32/57/557033257.db2.gz	VPCKXHGCASLWHQ-PSFBTJLASA-N	-1	0	439.475	5.320	40	30		IKEBRM
Cc1ccc(N=Nc2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccccc4F)C3=O)cc2)cc1	ZINC000408537290	557033314	/nfs/dbraw/zinc/03/33/14/557033314.db2.gz	UYSRETUGMHVLTD-DGVNZKBXSA-N	-1	0	443.438	5.151	40	30		IKEBRM
COC(=O)c1cccc(Cn2cc(/C=N\c3ccc(Cl)c(C(=O)[O-])c3)c3ccccc32)c1	ZINC000408542045	557033634	/nfs/dbraw/zinc/03/36/34/557033634.db2.gz	JOBNSQNGNYEFJT-WKIKZPBSSA-N	-1	0	446.890	5.578	40	30		IKEBRM
O=C(C1=C(O)C(=Cc2cc(Br)c([O-])c(Br)c2)CC1)C(F)(F)F	ZINC000408562784	557040565	/nfs/dbraw/zinc/04/05/65/557040565.db2.gz	CENWFKWHQOJBKA-BPVQJAMASA-N	-1	0	442.025	5.038	40	30		IKEBRM
CCCN1C(=O)/C(=C/c2cccn2-c2ccc(C(=O)[O-])cc2)SC1=Nc1ccccc1	ZINC000409226258	557050300	/nfs/dbraw/zinc/05/03/00/557050300.db2.gz	MJHNEAIDUUULSC-SNSRFIGSSA-N	-1	0	431.517	5.190	40	30		IKEBRM
C=CCOc1cccc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)[O-])c1	ZINC000408634851	557076927	/nfs/dbraw/zinc/07/69/27/557076927.db2.gz	XGBNAWAFJQXHLT-WQRHYEAKSA-N	-1	0	444.896	5.181	40	30		IKEBRM
Cc1ccc(-c2oc(/N=C/c3ccc([O-])c([N+](=O)[O-])c3)c(C#N)c2-c2ccc(C)cc2)cc1	ZINC000409354991	557081162	/nfs/dbraw/zinc/08/11/62/557081162.db2.gz	AZTUDUAKVPACKY-RWPZCVJISA-N	-1	0	437.455	6.467	40	30		IKEBRM
N#Cc1c(/N=C/c2ccc(-c3ccccc3C(=O)[O-])o2)oc(-c2ccco2)c1-c1ccco1	ZINC000409380438	557094943	/nfs/dbraw/zinc/09/49/43/557094943.db2.gz	DLJZRIUVGZRYKL-MZJWZYIUSA-N	-1	0	438.395	6.380	40	30		IKEBRM
COc1cc(/C=N/c2ccc(Br)c(C)c2)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000409386348	557098696	/nfs/dbraw/zinc/09/86/96/557098696.db2.gz	SLAGGOVEGGKTDI-FOKLQQMPSA-N	-1	0	444.281	5.387	40	30		IKEBRM
Cc1ccc(NC(=O)COc2cccc(/C=N/c3cc(C(=O)[O-])ccc3Cl)c2)cc1C	ZINC000409386953	557098730	/nfs/dbraw/zinc/09/87/30/557098730.db2.gz	OZAXRUPZRXRXAP-LGJNPRDNSA-N	-1	0	436.895	5.423	40	30		IKEBRM
CCOc1cc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc([N+](=O)[O-])c1[O-]	ZINC000409389081	557100528	/nfs/dbraw/zinc/10/05/28/557100528.db2.gz	ZEAIQPAOMMLNHR-WYMPLXKRSA-N	-1	0	433.376	5.434	40	30		IKEBRM
O=[N+]([O-])c1ccc2c(ccc(O)c2/C=N/c2ccc(-c3nc4ccccc4s3)c([O-])c2)c1	ZINC000003139415	557115771	/nfs/dbraw/zinc/11/57/71/557115771.db2.gz	ZZUDPWAVPADLNF-DHRITJCHSA-N	-1	0	441.468	6.187	40	30		IKEBRM
Cc1ccc(-c2oc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])c(C#N)c2-c2ccc(C)cc2)cc1	ZINC000409353319	557134549	/nfs/dbraw/zinc/13/45/49/557134549.db2.gz	IYXLFMNSZWWXKR-RWPZCVJISA-N	-1	0	437.455	6.467	40	30		IKEBRM
O=C1/C(=C/c2cc(Cl)cc(Cl)c2[O-])S/C(=N\c2ccccc2)N1C1CCCCC1	ZINC000408726427	557137317	/nfs/dbraw/zinc/13/73/17/557137317.db2.gz	NQTDPDHNUJGPRZ-TVNBHEQGSA-N	-1	0	447.387	6.636	40	30		IKEBRM
COc1cc(/C=N\c2ccc(C)cc2Br)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000409386493	557141561	/nfs/dbraw/zinc/14/15/61/557141561.db2.gz	UOBGOTYLRFGNKR-KSEXSDGBSA-N	-1	0	444.281	5.387	40	30		IKEBRM
CC[C@H](C)c1ccc(/N=C/c2cc(C)n(-c3sc4c(c3C(=O)[O-])CCCC4)c2C)cc1	ZINC000409384689	557141606	/nfs/dbraw/zinc/14/16/06/557141606.db2.gz	FGHFLDDAEOYRLI-ZXSUQFSISA-N	-1	0	434.605	6.997	40	30		IKEBRM
Cc1cc(/C=N\c2ccc(C(C)(C)C)cc2)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000409384696	557141611	/nfs/dbraw/zinc/14/16/11/557141611.db2.gz	FGLKIAFIZHIEOU-DICXZTSXSA-N	-1	0	434.605	6.781	40	30		IKEBRM
COC(=O)c1ccc(/N=C/c2cc(C)n(-c3sc4c(c3C(=O)[O-])CCCC4)c2C)cc1	ZINC000409387929	557141985	/nfs/dbraw/zinc/14/19/85/557141985.db2.gz	YQDVJUFCRSTKSL-DHRITJCHSA-N	-1	0	436.533	5.270	40	30		IKEBRM
CCOc1cc(-c2nc3ccccn3c2/N=C/c2cc(Cl)cc(Cl)c2[O-])ccc1O	ZINC000408734814	557142350	/nfs/dbraw/zinc/14/23/50/557142350.db2.gz	FEWIWOPCIOIDLG-BRJLIKDPSA-N	-1	0	442.302	5.869	40	30		IKEBRM
COC(=O)c1ccc(Cn2cc(/C=N/c3cc(C(=O)[O-])ccc3Cl)c3ccccc32)o1	ZINC000409390683	557142613	/nfs/dbraw/zinc/14/26/13/557142613.db2.gz	GPHZAYVLAGYJSF-OPEKNORGSA-N	-1	0	436.851	5.171	40	30		IKEBRM
CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)S2)cc1	ZINC000408767679	557189391	/nfs/dbraw/zinc/18/93/91/557189391.db2.gz	ZXYKKPCFTIUVCG-BKUYFWCQSA-N	-1	0	432.501	5.407	40	30		IKEBRM
CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4[O-])c3)nc2c1	ZINC000038180012	557203217	/nfs/dbraw/zinc/20/32/17/557203217.db2.gz	XPBCTOXLTFSPNU-WOLHVBPDSA-N	-1	0	449.894	7.026	40	30		IKEBRM
Cc1cc(/C=N/c2ccccc2[S-])c(C)n1-c1ccc(I)c(C)c1	ZINC000408788003	557206735	/nfs/dbraw/zinc/20/67/35/557206735.db2.gz	BZGWUPKBGRWKQP-WSDLNYQXSA-N	-1	0	446.357	6.046	40	30		IKEBRM
CCCCCCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)[O-]	ZINC000100022037	557237319	/nfs/dbraw/zinc/23/73/19/557237319.db2.gz	LQESNAREESPTNY-UHFFFAOYSA-N	-1	0	430.717	9.070	40	30		IKEBRM
[O-]c1c(Br)cc(Br)cc1/C=N/c1ccc(Br)cc1	ZINC000100442310	557261372	/nfs/dbraw/zinc/26/13/72/557261372.db2.gz	CVXMCWODKNBQFO-REZTVBANSA-N	-1	0	433.925	5.430	40	30		IKEBRM
C/C(=N\c1ccc(Br)cc1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000100643568	557267210	/nfs/dbraw/zinc/26/72/10/557267210.db2.gz	GCGRLIKBEZCHFU-MFKUBSTISA-N	-1	0	433.305	5.600	40	30		IKEBRM
CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCC(=O)[O-]	ZINC000100923477	557278943	/nfs/dbraw/zinc/27/89/43/557278943.db2.gz	KXGNCUFXKWXCMR-UHFFFAOYSA-N	-1	0	438.737	9.413	40	30		IKEBRM
Cc1ccc2c(c1)N[C@@H](c1cccc(/N=C/c3cc(Cl)cc(Cl)c3[O-])c1)c1cccn1-2	ZINC000104214039	557322197	/nfs/dbraw/zinc/32/21/97/557322197.db2.gz	ZXGVFQHHLQGPAQ-VLQKAMOESA-N	-1	0	448.353	7.064	40	30		IKEBRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1NCc1ccccc1	ZINC000104213856	557322236	/nfs/dbraw/zinc/32/22/36/557322236.db2.gz	LJFCTAIRZSFJMR-KVSWJAHQSA-N	-1	0	439.264	7.081	40	30		IKEBRM
CCCCCCCCCCCCCCCCCCNC(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC000104323241	557325219	/nfs/dbraw/zinc/32/52/19/557325219.db2.gz	CWFMFRSUSWVXKN-HSZRJFAPSA-N	-1	0	426.686	7.046	40	30		IKEBRM
CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc([N+](=O)[O-])cc(C)c4[O-])cc3)nc2c1	ZINC000017096464	557476649	/nfs/dbraw/zinc/47/66/49/557476649.db2.gz	HGFJBZOXMMGFNC-IXORVSQSSA-N	-1	0	429.476	6.681	40	30		IKEBRM
CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc(Cl)c4[O-])cc3)nc2c1	ZINC000017103136	557491957	/nfs/dbraw/zinc/49/19/57/557491957.db2.gz	KHHZDOALFTVXOL-ZKJHFGPLSA-N	-1	0	439.342	7.771	40	30		IKEBRM
CCCCCCCOP(=O)([N-]S(=O)(=O)c1ccccc1)OCCCCCCC	ZINC000101135034	557509413	/nfs/dbraw/zinc/50/94/13/557509413.db2.gz	MDFLHZKHGQLAKA-UHFFFAOYSA-N	-1	0	433.551	6.047	40	30		IKEBRM
Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)S2)cc1	ZINC000033295120	557807180	/nfs/dbraw/zinc/80/71/80/557807180.db2.gz	NCNHMXBZHWLDOX-ODLFYWEKSA-N	-1	0	438.892	5.498	40	30		IKEBRM
CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2cccc(C(=O)[O-])c2)N(C)C1=O	ZINC000033719205	557809140	/nfs/dbraw/zinc/80/91/40/557809140.db2.gz	MYOJNBBTEKBGAU-MDIFQPDJSA-N	-1	0	432.501	5.171	40	30		IKEBRM
C=CCOc1ccccc1[C@@H]1Nc2c(C(=O)[O-])cc(Br)cc2[C@@H]2C=CC[C@@H]21	ZINC000058928837	557813588	/nfs/dbraw/zinc/81/35/88/557813588.db2.gz	GKOYOXWXXQLMHN-QEEYODRMSA-N	-1	0	426.310	5.539	40	30		IKEBRM
CCCCOC(=O)c1ccc(/N=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)cc1	ZINC000059104679	557814304	/nfs/dbraw/zinc/81/43/04/557814304.db2.gz	BSIVTOYBEQFZOB-WPWMEQJKSA-N	-1	0	431.488	5.671	40	30		IKEBRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1OCc1ccccc1	ZINC000059459250	557821129	/nfs/dbraw/zinc/82/11/29/557821129.db2.gz	CSJZAHFCBSKOJE-LUOAPIJWSA-N	-1	0	440.248	7.047	40	30		IKEBRM
Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000059302692	557822114	/nfs/dbraw/zinc/82/21/14/557822114.db2.gz	NKKYAHPDENZMRS-CVKSISIWSA-N	-1	0	437.927	5.033	40	30		IKEBRM
[O-]c1c(Cl)cccc1/C=N/c1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1	ZINC000059475473	557824850	/nfs/dbraw/zinc/82/48/50/557824850.db2.gz	ZLZZVSPDBXVBGH-IOXBOXJCSA-N	-1	0	429.719	6.094	40	30		IKEBRM
[O-]c1c(Cl)cc(Cl)cc1/C=N/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	ZINC000059483116	557825089	/nfs/dbraw/zinc/82/50/89/557825089.db2.gz	AKCBLWWUFCPPPD-RPPGKUMJSA-N	-1	0	442.733	6.956	40	30		IKEBRM
O=C([O-])c1ccc(/N=C/c2ccccc2OC(=O)c2sc3ccccc3c2Cl)cc1	ZINC000059500720	557826475	/nfs/dbraw/zinc/82/64/75/557826475.db2.gz	BTUBUELYQPZEBA-DHRITJCHSA-N	-1	0	435.888	6.223	40	30		IKEBRM
C=C(C)[C@H]1C[C@@H](c2ccc(Cl)cc2)[C@H](C)O[C@@H]1c1cc(CCC(=O)[O-])ccc1OCC	ZINC000585263886	568873639	/nfs/dbraw/zinc/87/36/39/568873639.db2.gz	BMDCJHITICNRKM-ZLDNNBEGSA-N	-1	0	442.983	6.582	40	30		IKEBRM
C=C(C)[C@H]1C[C@@H](c2ccc(Cl)cc2)[C@H](C)O[C@@H]1c1cc(CC(=O)[O-])ccc1OCC	ZINC000585263924	568873662	/nfs/dbraw/zinc/87/36/62/568873662.db2.gz	HFOTYZGGZGXSRN-PPUAZLSFSA-N	-1	0	428.956	6.192	40	30		IKEBRM
CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1C(=O)[O-]	ZINC000033880485	569261830	/nfs/dbraw/zinc/26/18/30/569261830.db2.gz	XYQBOZWKZXQHJE-CENQWQLUSA-N	-1	0	444.512	5.592	40	30		IKEBRM
CCCCOc1ccc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])c2ccccc12	ZINC000033712143	569261849	/nfs/dbraw/zinc/26/18/49/569261849.db2.gz	GVTYRXPFNWUZFB-OBDXBSDPSA-N	-1	0	437.590	5.850	40	30		IKEBRM
CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000035656973	569261969	/nfs/dbraw/zinc/26/19/69/569261969.db2.gz	MVVWDQZODDBYQE-RVFNTIOESA-N	-1	0	438.892	5.532	40	30		IKEBRM
COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])ccc1OCc1cccc(C)c1	ZINC000034718168	569262020	/nfs/dbraw/zinc/26/20/20/569262020.db2.gz	RPSVBMORLRTSLT-XYJKTABCSA-N	-1	0	436.558	5.457	40	30		IKEBRM
[O-]c1c(Br)cc(/N=C/c2cc(Br)ccc2O)cc1Br	ZINC000038182130	569262129	/nfs/dbraw/zinc/26/21/29/569262129.db2.gz	UIRSISZAXISCND-UBKPWBPPSA-N	-1	0	449.924	5.136	40	30		IKEBRM
O=C1c2ccccc2C(=O)N1c1ccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])c(Cl)c1	ZINC000038162569	569262133	/nfs/dbraw/zinc/26/21/33/569262133.db2.gz	KJSNIGFXBLTMMU-KIBLKLHPSA-N	-1	0	445.689	5.904	40	30		IKEBRM
COc1cc(COc2ccc(Br)cc2/C=N\[O-])ccc1OCc1ccccc1	ZINC000107842128	569262364	/nfs/dbraw/zinc/26/23/64/569262364.db2.gz	JQACGPSHFLNPGY-CFRMEGHHSA-N	-1	0	442.309	5.424	40	30		IKEBRM
N=C1SC(=Cc2ccc(OCc3cccc4ccccc43)cc2)C([O-])=C1c1nccs1	ZINC000108087397	569262387	/nfs/dbraw/zinc/26/23/87/569262387.db2.gz	PRUIOZILTKEDFV-PLXYEHFVSA-N	-1	0	442.565	6.293	40	30		IKEBRM
COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])ccc1OCc1cccc(F)c1	ZINC000107735066	569262395	/nfs/dbraw/zinc/26/23/95/569262395.db2.gz	FTPXLSCKJZDFHU-OKYLLYMWSA-N	-1	0	440.521	5.288	40	30		IKEBRM
CCc1nnc(C2=C([O-])C(=Cc3cn(Cc4ccccc4)c4ccccc34)SC2=N)s1	ZINC000107895083	569262408	/nfs/dbraw/zinc/26/24/08/569262408.db2.gz	ITBAVBBDPGOBRV-JXMVDPOESA-N	-1	0	444.585	5.521	40	30		IKEBRM
CCc1nnc(C2=C([O-])C(=Cc3ccc(OCC(C)C)c4ccccc34)SC2=N)s1	ZINC000138162137	569262587	/nfs/dbraw/zinc/26/25/87/569262587.db2.gz	IMDSMROLARKMDM-IXPXTECGSA-N	-1	0	437.590	5.706	40	30		IKEBRM
COc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)cc1Cl	ZINC000164066017	569262595	/nfs/dbraw/zinc/26/25/95/569262595.db2.gz	UJAFKEPYOGNIEW-DHRITJCHSA-N	-1	0	425.868	5.385	40	30		IKEBRM
CCc1nnc(C2=C([O-])C(=Cc3ccc(OCc4cccc(F)c4)cc3)SC2=N)s1	ZINC000137548210	569262628	/nfs/dbraw/zinc/26/26/28/569262628.db2.gz	DDPDKDJLQZUFOO-ANFUGJHOSA-N	-1	0	439.537	5.236	40	30		IKEBRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1[O-]	ZINC000003162694	569441024	/nfs/dbraw/zinc/44/10/24/569441024.db2.gz	FOQYRPXNCJOMQS-AUEPDCJTSA-N	-1	0	428.231	6.166	40	30		IKEBRM
O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)c1[O-]	ZINC000003184437	569441354	/nfs/dbraw/zinc/44/13/54/569441354.db2.gz	NBGSGMCLUFXGEI-SSDVNMTOSA-N	-1	0	438.237	5.622	40	30		IKEBRM
[O-]c1c(Br)cc(Br)cc1/C=N\c1nc(-c2ccccc2)cs1	ZINC000104188975	518203609	/nfs/dbraw/zinc/20/36/09/518203609.db2.gz	ZSQVWGNKELPHOV-UWVJOHFNSA-N	-1	0	438.144	5.791	40	30		IKEBRM
CCCCCCCCCCCCCCCCCCc1ccc(C(=O)/C=C/C(=O)[O-])cc1	ZINC000017611375	519997024	/nfs/dbraw/zinc/99/70/24/519997024.db2.gz	ZBESASFHIWDSCJ-WCWDXBQESA-N	-1	0	428.657	8.314	40	30	in-vitro	IKEBRM
COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(OC)c(OCc3ccccc3)c2)cc1	ZINC000012466371	523176069	/nfs/dbraw/zinc/17/60/69/523176069.db2.gz	PXBFEAZUEIFSCE-MYYYXRDXSA-N	-1	0	446.532	5.086	40	30		IKEBRM
O=C1C(=O)N(c2nccs2)[C@H](c2ccc(Cl)cc2Cl)C1=C([O-])c1cccs1	ZINC000085409835	526833086	/nfs/dbraw/zinc/83/30/86/526833086.db2.gz	REPMWPWILFOHQX-CQSZACIVSA-N	-1	0	437.329	5.294	40	30		IKEBRM
O=[N+]([O-])c1ccc(NCCC/N=C/c2cc(Cl)cc(Br)c2[O-])c(Cl)c1	ZINC000016385806	527364431	/nfs/dbraw/zinc/36/44/31/527364431.db2.gz	IANUQNUGASGKDB-AWQFTUOYSA-N	-1	0	447.116	5.291	40	30		IKEBRM
CC1(C)CC(=O)C2=C(C1)N(CC(=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1	ZINC000035076932	555722652	/nfs/dbraw/zinc/72/26/52/555722652.db2.gz	OGNBNMADTJKDJV-UHFFFAOYSA-N	-1	0	441.955	5.110	40	30		IKEBRM
COC(=O)c1cccc(Cn2cc(/C=N\c3cc(C(=O)[O-])ccc3C)c3ccccc32)c1	ZINC000408544403	555791987	/nfs/dbraw/zinc/79/19/87/555791987.db2.gz	VWSXMJXYYZHLMX-VYYCAZPPSA-N	-1	0	426.472	5.233	40	30		IKEBRM
COC(=O)c1cccc(Cn2cc(/C=N/c3cc(C(=O)[O-])ccc3Cl)c3ccccc32)c1	ZINC000408544458	555792366	/nfs/dbraw/zinc/79/23/66/555792366.db2.gz	WDYJGULPOSJZPW-UVHMKAGCSA-N	-1	0	446.890	5.578	40	30		IKEBRM
C=CCOc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)n2CC)C(=O)[O-])cc1	ZINC000408632677	556004669	/nfs/dbraw/zinc/00/46/69/556004669.db2.gz	GUFQDJXYLBJSPA-RGEXLXHISA-N	-1	0	441.940	5.401	40	30		IKEBRM
Cc1cccc(Cn2cc(C=C3SC(=N)C(c4nccs4)=C3[O-])c3ccccc32)c1	ZINC000035352352	556081001	/nfs/dbraw/zinc/08/10/01/556081001.db2.gz	UKVDJUXDOGAWBA-YFPORYOGSA-N	-1	0	429.570	5.872	40	30		IKEBRM
CCOc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])ccc1OCc1ccccc1	ZINC000035352135	556081019	/nfs/dbraw/zinc/08/10/19/556081019.db2.gz	DVFRERMNILFVNZ-MUNQKHPHSA-N	-1	0	436.558	5.539	40	30		IKEBRM
Cc1ccc(/N=C2\S/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)C(=O)N2C2CCCCC2)cc1	ZINC000408915155	556500407	/nfs/dbraw/zinc/50/04/07/556500407.db2.gz	XBSMGPDLMLVXCQ-NFEGURHZSA-N	-1	0	437.521	5.546	40	30		IKEBRM
Cc1ccc(S(=O)(=O)OCCCCCCCCCCCCCCCCC(=O)[O-])cc1	ZINC000015443130	556528474	/nfs/dbraw/zinc/52/84/74/556528474.db2.gz	XJXKIEVCUXQWDZ-UHFFFAOYSA-N	-1	0	440.646	6.636	40	30		IKEBRM
Cc1cc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])ccc1NC(=O)c1cc2ccccc2o1	ZINC000032114511	556530904	/nfs/dbraw/zinc/53/09/04/556530904.db2.gz	KFRMCGNCVGQIGH-BRJLIKDPSA-N	-1	0	449.850	6.011	40	30		IKEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1	ZINC000032114891	556531157	/nfs/dbraw/zinc/53/11/57/556531157.db2.gz	JIELETWQNURCFP-PGGKNCGUSA-N	-1	0	429.766	5.791	40	30		IKEBRM
Cc1cc(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c([O-])c([N+](=O)[O-])c1	ZINC000032115550	556531813	/nfs/dbraw/zinc/53/18/13/556531813.db2.gz	DYYKDOYNDFGPRZ-YCPBAFNGSA-N	-1	0	443.793	6.099	40	30		IKEBRM
COC(=O)c1cc(/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)[O-])c3)c2C)ccc1Cl	ZINC000408941080	556540565	/nfs/dbraw/zinc/54/05/65/556540565.db2.gz	JQMQFGLSRNBZHB-OPEKNORGSA-N	-1	0	445.302	5.636	40	30		IKEBRM
O=C(Nc1ccccc1)c1c(/N=C/c2cc([N+](=O)[O-])ccc2[O-])sc2c1CCCCCC2	ZINC000408969527	556580281	/nfs/dbraw/zinc/58/02/81/556580281.db2.gz	PIPONXOSMMKIJI-MFKUBSTISA-N	-1	0	449.532	6.024	40	30		IKEBRM
COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(Cl)c(-c3nc4ccccc4s3)c2)c1[O-]	ZINC000016194960	556589483	/nfs/dbraw/zinc/58/94/83/556589483.db2.gz	DFONAAYJLBXDIR-FOKLQQMPSA-N	-1	0	439.880	5.990	40	30		IKEBRM
Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1[O-]	ZINC000016269533	556596247	/nfs/dbraw/zinc/59/62/47/556596247.db2.gz	MQGLXKZONDACEC-RPPGKUMJSA-N	-1	0	443.381	5.631	40	30		IKEBRM
Cc1cc(/N=C/c2cc(Cl)cc(Br)c2[O-])ccc1NC(=O)c1ccccc1	ZINC000016282662	556596735	/nfs/dbraw/zinc/59/67/35/556596735.db2.gz	YNBRIQFDURCBGP-WYMPLXKRSA-N	-1	0	443.728	6.119	40	30		IKEBRM
O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2ccccc2N2CCCCC2)c1[O-]	ZINC000016450174	556609278	/nfs/dbraw/zinc/60/92/78/556609278.db2.gz	NCMDJNSBXNLAIE-WPWMEQJKSA-N	-1	0	449.938	6.286	40	30		IKEBRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c1[O-]	ZINC000016525121	556614046	/nfs/dbraw/zinc/61/40/46/556614046.db2.gz	FZRDBOOARUPTAQ-AUEPDCJTSA-N	-1	0	427.247	5.901	40	30		IKEBRM
CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4[O-])cc3)nc2c1	ZINC000016610634	556617570	/nfs/dbraw/zinc/61/75/70/556617570.db2.gz	ULOYTUVYXLVYLM-JUCPORTRSA-N	-1	0	449.894	7.026	40	30		IKEBRM
CCCCCOc1ccc(C(=O)Oc2ccc(/N=C/c3cccc([N+](=O)[O-])c3[O-])cc2)cc1	ZINC000016638609	556619395	/nfs/dbraw/zinc/61/93/95/556619395.db2.gz	SVZHPHMWHVHHTJ-YZSQISJMSA-N	-1	0	448.475	5.839	40	30		IKEBRM
O=S(=O)([N-]c1cc(Cl)c(Cl)cc1/N=C/c1cc(F)ccc1O)c1ccccc1	ZINC000018207012	556686852	/nfs/dbraw/zinc/68/68/52/556686852.db2.gz	BRTBFLOXOZZEKE-FOKLQQMPSA-N	-1	0	439.295	5.390	40	30		IKEBRM
Cc1ccc(C(=O)[O-])cc1N=C1S/C(=C\c2ccc(-c3cccc(F)c3)o2)C(=O)N1C	ZINC000409012924	556715881	/nfs/dbraw/zinc/71/58/81/556715881.db2.gz	RXNSYMAWKHYGIE-OBBBTXPFSA-N	-1	0	436.464	5.326	40	30		IKEBRM
COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])ccc1OCc1ccc(F)cc1	ZINC000136048286	556721971	/nfs/dbraw/zinc/72/19/71/556721971.db2.gz	QRJBCIDGWWQNKY-YEWWOHFJSA-N	-1	0	440.521	5.288	40	30		IKEBRM
N=C1SC(=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C([O-])=C1c1nccs1	ZINC000136515994	556722632	/nfs/dbraw/zinc/72/26/32/556722632.db2.gz	XWEDTQDXFPCRRJ-LVRGXITISA-N	-1	0	431.882	5.383	40	30		IKEBRM
CCc1nnc(C2=C([O-])C(=Cc3cc(C)n(-c4c(C)cccc4C)c3C)SC2=N)s1	ZINC000136444800	556722653	/nfs/dbraw/zinc/72/26/53/556722653.db2.gz	HMBJRYXRASHMAK-ZQJMEWMBSA-N	-1	0	436.606	5.543	40	30		IKEBRM
COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])ccc1OCc1cccc(C)c1	ZINC000137472247	556724009	/nfs/dbraw/zinc/72/40/09/556724009.db2.gz	RPSVBMORLRTSLT-GQNWJCCQSA-N	-1	0	436.558	5.457	40	30		IKEBRM
COc1ccccc1Oc1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])cc1	ZINC000409070810	556774567	/nfs/dbraw/zinc/77/45/67/556774567.db2.gz	GXIHSBXGHJSUJE-WSDLNYQXSA-N	-1	0	443.253	5.614	40	30		IKEBRM
C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409069498	556777477	/nfs/dbraw/zinc/77/74/77/556777477.db2.gz	LCCRAPMVUQRCID-CVKSISIWSA-N	-1	0	446.459	5.360	40	30		IKEBRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)o1	ZINC000409086439	556790800	/nfs/dbraw/zinc/79/08/00/556790800.db2.gz	ZPMQTQXDALDHOL-YNCTYVJUSA-N	-1	0	446.572	6.788	40	30		IKEBRM
O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(Br)c(Cl)c2)c1[O-]	ZINC000409098525	556795391	/nfs/dbraw/zinc/79/53/91/556795391.db2.gz	QGNQRMGZLJDVNZ-UBKPWBPPSA-N	-1	0	434.471	5.229	40	30		IKEBRM
Cc1cc(/C=N/c2cccc(C(=O)[O-])c2)c(C)n1-c1ccc(I)cc1	ZINC000408775075	556848421	/nfs/dbraw/zinc/84/84/21/556848421.db2.gz	YNPOOEFQRYPGMG-WSDLNYQXSA-N	-1	0	444.272	5.148	40	30		IKEBRM
CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(N(C)C)cc4)nc3c2)c1[O-]	ZINC000008935278	556852747	/nfs/dbraw/zinc/85/27/47/556852747.db2.gz	KCEXIVWNDDRQJQ-AFUMVMLFSA-N	-1	0	446.463	5.324	40	30		IKEBRM
Cc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)c(C)n1C1CCCCC1	ZINC000408791796	556857175	/nfs/dbraw/zinc/85/71/75/556857175.db2.gz	CPQOIMHHGASAFP-YCBMQGOFSA-N	-1	0	437.565	5.542	40	30		IKEBRM
COc1cc(/C=N\c2ccccc2Br)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000408810045	556862059	/nfs/dbraw/zinc/86/20/59/556862059.db2.gz	IGMBEJZTYYEMBO-CFRMEGHHSA-N	-1	0	440.293	5.486	40	30		IKEBRM
O=C([O-])COc1ccc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1Cl	ZINC000408852588	556869721	/nfs/dbraw/zinc/86/97/21/556869721.db2.gz	UPOKUPSKUFWBMB-FSJBWODESA-N	-1	0	442.880	5.613	40	30		IKEBRM
Cc1cc(/C=N/N(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408848671	556870225	/nfs/dbraw/zinc/87/02/25/556870225.db2.gz	SFJYGSXQWDXCPN-OGLMXYFKSA-N	-1	0	443.934	6.618	40	30		IKEBRM
COc1cc(/C=N\c2ccc(Cl)cc2Cl)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000408853394	556871302	/nfs/dbraw/zinc/87/13/02/556871302.db2.gz	OJNGRPAQDYANEQ-ROTLSHHCSA-N	-1	0	430.287	6.030	40	30		IKEBRM
COC(=O)c1cc(/N=C/c2cc(C)n(-c3ccc(C(=O)[O-])c(Cl)c3)c2C)ccc1Cl	ZINC000408853931	556871347	/nfs/dbraw/zinc/87/13/47/556871347.db2.gz	SXPOKHCTFOTJPW-OPEKNORGSA-N	-1	0	445.302	5.636	40	30		IKEBRM
Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(-c3ccccc3C(=O)[O-])o2)S1	ZINC000408873396	556875553	/nfs/dbraw/zinc/87/55/53/556875553.db2.gz	QMSVDHGHJUBJJQ-ODLFYWEKSA-N	-1	0	438.892	5.498	40	30		IKEBRM
C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)S/C1=N\c1ccccc1	ZINC000408873827	556875803	/nfs/dbraw/zinc/87/58/03/556875803.db2.gz	XEHFUEMNQQYANE-NSZJMGGMSA-N	-1	0	437.521	5.483	40	30		IKEBRM
C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)S/C1=N\c1ccccc1	ZINC000408914792	556889771	/nfs/dbraw/zinc/88/97/71/556889771.db2.gz	XSKBYCKJUVVCKE-BQLTUIPISA-N	-1	0	445.500	5.666	40	30		IKEBRM
Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	ZINC000408915820	556890605	/nfs/dbraw/zinc/89/06/05/556890605.db2.gz	ZOWPNFXKVXVSJV-MUFRIFMGSA-N	-1	0	442.490	6.261	40	30		IKEBRM
Cc1c(/N=C2\S/C(=C\c3ccc(-c4ccccc4)cc3)C(=O)N2C)cccc1C(=O)[O-]	ZINC000408931792	556892931	/nfs/dbraw/zinc/89/29/31/556892931.db2.gz	QJEHFHLMYSWEFR-GZAOZUBMSA-N	-1	0	428.513	5.594	40	30		IKEBRM
[O-]c1c(Br)cc(Br)cc1C=NNc1ccc(C(F)(F)F)cc1	ZINC000408931313	556894764	/nfs/dbraw/zinc/89/47/64/556894764.db2.gz	JWRYBWQKZQKUDY-SCDVKCJHSA-N	-1	0	438.041	5.382	40	30		IKEBRM
Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3ccc([O-])c([N+](=O)[O-])c3)cc1)N2	ZINC000408935111	556895494	/nfs/dbraw/zinc/89/54/94/556895494.db2.gz	GTFIQLBGUIBNKM-ZTFARHIYSA-N	-1	0	425.488	6.186	40	30		IKEBRM
Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccc([O-])c([N+](=O)[O-])c3)cc1)N2	ZINC000408935108	556895523	/nfs/dbraw/zinc/89/55/23/556895523.db2.gz	GTFIQLBGUIBNKM-OIUYQCDRSA-N	-1	0	425.488	6.186	40	30		IKEBRM
CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)SC1=Nc1ccccc1	ZINC000408960785	556899483	/nfs/dbraw/zinc/89/94/83/556899483.db2.gz	IYDIHHOPRUFXKU-NGZUUMTHSA-N	-1	0	432.501	5.577	40	30		IKEBRM
Cc1cc(I)ccc1/N=C\c1ccc(-c2ccc(C(=O)[O-])cc2C)o1	ZINC000408960560	556900395	/nfs/dbraw/zinc/90/03/95/556900395.db2.gz	GWWWDQNCLYQTDH-JJFYIABZSA-N	-1	0	445.256	5.617	40	30		IKEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N\c2cccc(I)c2)o1	ZINC000408961913	556901083	/nfs/dbraw/zinc/90/10/83/556901083.db2.gz	VMKZQFGFVZSNFC-NHDPSOOVSA-N	-1	0	431.229	5.308	40	30		IKEBRM
Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)S2)c1	ZINC000408962215	556901440	/nfs/dbraw/zinc/90/14/40/556901440.db2.gz	QZKKSOVAHWQKKM-MTJSOVHGSA-N	-1	0	432.501	5.462	40	30		IKEBRM
CCOc1ccc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)c2ccccc12	ZINC000409058013	556934958	/nfs/dbraw/zinc/93/49/58/556934958.db2.gz	RIENVSQDTRANLQ-JUMVDPBBSA-N	-1	0	446.528	5.561	40	30		IKEBRM
CCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccc(C(=O)[O-])cc2)N(CC)C1=O	ZINC000409061082	556938602	/nfs/dbraw/zinc/93/86/02/556938602.db2.gz	UVPXXNAZKHJXOM-HPJGCCTDSA-N	-1	0	430.913	5.061	40	30		IKEBRM
CCCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2cccc(C(=O)[O-])c2)N(C)C1=O	ZINC000409061270	556943281	/nfs/dbraw/zinc/94/32/81/556943281.db2.gz	YVKKDCZOFVPICP-JUMVDPBBSA-N	-1	0	446.528	5.561	40	30		IKEBRM
CCCN1C(=O)/C(=C/c2cc(Cl)c([O-])c(Cl)c2)S/C1=N/c1ccc(Cl)cc1	ZINC000409076296	556944130	/nfs/dbraw/zinc/94/41/30/556944130.db2.gz	AJPAVXXVOGLEEK-WVAULHCUSA-N	-1	0	441.767	6.366	40	30		IKEBRM
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc(Oc3ccccc3Cl)cc2)c1	ZINC000409069451	556944176	/nfs/dbraw/zinc/94/41/76/556944176.db2.gz	KXYHJSJNGMEMEZ-SSDVNMTOSA-N	-1	0	447.672	6.259	40	30		IKEBRM
CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(-c4ccccc4C(=O)[O-])o3)sc2C1	ZINC000409080461	556947188	/nfs/dbraw/zinc/94/71/88/556947188.db2.gz	DLMOULYCJSAQDE-FYDYWCEBSA-N	-1	0	432.545	6.480	40	30		IKEBRM
CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)sc2C1	ZINC000409080360	556947216	/nfs/dbraw/zinc/94/72/16/556947216.db2.gz	NHJGQKUJPMRPOB-MAFAOTQISA-N	-1	0	432.545	6.480	40	30		IKEBRM
CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)sc2C1	ZINC000409084808	556948394	/nfs/dbraw/zinc/94/83/94/556948394.db2.gz	QODRBJVCZVIEKG-HDFIIFABSA-N	-1	0	432.545	6.480	40	30		IKEBRM
COc1ccc(Oc2ccc(/N=C/c3cc([N+](=O)[O-])cc(Br)c3[O-])cc2)cc1	ZINC000409093613	556949482	/nfs/dbraw/zinc/94/94/82/556949482.db2.gz	BGEIANOGZIHANC-WSDLNYQXSA-N	-1	0	443.253	5.614	40	30		IKEBRM
Cc1ccc(Oc2ccc(/N=C/c3cc(Br)cc([N+](=O)[O-])c3[O-])cc2)cc1	ZINC000409099788	556954926	/nfs/dbraw/zinc/95/49/26/556954926.db2.gz	LQCFICXWOQBOKF-WSDLNYQXSA-N	-1	0	427.254	5.914	40	30		IKEBRM
[O-]c1c(I)cc(Br)cc1/C=N/c1cccc(Cl)c1	ZINC000409101440	556955827	/nfs/dbraw/zinc/95/58/27/556955827.db2.gz	UABFXKYFAQRLTI-REZTVBANSA-N	-1	0	436.474	5.163	40	30		IKEBRM
C=C1C(C)=C([O-])C(=Nc2cccc(C(F)(F)F)c2)C=C1Nc1cccc(C(F)(F)F)c1	ZINC000096835762	556980760	/nfs/dbraw/zinc/98/07/60/556980760.db2.gz	LFZJSFASMKAPFA-MIXAMLLLSA-N	-1	0	438.371	6.712	40	30		IKEBRM
Cc1ccc(/N=C2/S/C(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)C(=O)N2C)cc1C	ZINC000409169934	556982988	/nfs/dbraw/zinc/98/29/88/556982988.db2.gz	TUSLBMDBXARUHX-LSRULMOLSA-N	-1	0	432.501	5.495	40	30		IKEBRM
CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1OCC(=O)[O-]	ZINC000409207809	556997019	/nfs/dbraw/zinc/99/70/19/556997019.db2.gz	AKNXVQGRAAOTHA-ZVBGSRNCSA-N	-1	0	426.694	5.024	40	30		IKEBRM
CCc1ccc(/N=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)cc1	ZINC000409208814	556998049	/nfs/dbraw/zinc/99/80/49/556998049.db2.gz	CGWCAHGOCSHYEX-AFUMVMLFSA-N	-1	0	438.321	6.039	40	30		IKEBRM
Cc1cc(/C=C2\SC(=Nc3ccc(C)c(C)c3)NC2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409200813	557000122	/nfs/dbraw/zinc/00/01/22/557000122.db2.gz	JTVIKBFFDNMDBV-XKZIYDEJSA-N	-1	0	445.544	5.301	40	30		IKEBRM
COc1cccc(/C=N/c2cccc(Br)c2)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409186577	557006795	/nfs/dbraw/zinc/00/67/95/557006795.db2.gz	DZCBEBSQQQBTDK-ZMOGYAJESA-N	-1	0	440.293	5.486	40	30		IKEBRM
COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409213022	557007617	/nfs/dbraw/zinc/00/76/17/557007617.db2.gz	TWSGAEZGQOJJEV-RPPGKUMJSA-N	-1	0	444.314	6.338	40	30		IKEBRM
N#Cc1c(/C=C\c2c3ccccc3cc3ccccc32)c(C(=O)[O-])nn(-c2ccccc2)c1=O	ZINC000409197007	557011191	/nfs/dbraw/zinc/01/11/91/557011191.db2.gz	ZNTPAMSJHTYCQF-PFONDFGASA-N	-1	0	443.462	5.279	40	30		IKEBRM
Cc1ccc(/N=C/c2cc(Br)c(OCC(=O)[O-])c(Br)c2)c(C)c1	ZINC000409219010	557013193	/nfs/dbraw/zinc/01/31/93/557013193.db2.gz	ZNSJDOYNWICDDG-DNTJNYDQSA-N	-1	0	441.119	5.042	40	30		IKEBRM
Cc1ccc(/N=C/c2cc(Br)cc(Br)c2OCC(=O)[O-])c(C)c1	ZINC000409200855	557013942	/nfs/dbraw/zinc/01/39/42/557013942.db2.gz	JRQXWZQYERRJJF-DNTJNYDQSA-N	-1	0	441.119	5.042	40	30		IKEBRM
CCOc1ccc(/N=C/c2c(OCc3ccc(C(=O)[O-])cc3)ccc3ccccc32)cc1	ZINC000409208878	557020128	/nfs/dbraw/zinc/02/01/28/557020128.db2.gz	CWSALWZLBZZVIQ-OGLMXYFKSA-N	-1	0	425.484	6.266	40	30		IKEBRM
Cc1ccc(Cl)cc1/N=C/c1c(OCc2ccc(C(=O)[O-])cc2)ccc2ccccc21	ZINC000409210336	557021725	/nfs/dbraw/zinc/02/17/25/557021725.db2.gz	JOXHRNWCFYQJJE-RWPZCVJISA-N	-1	0	429.903	6.829	40	30		IKEBRM
COc1cccc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)c1O[C@@H](C)C(=O)[O-]	ZINC000409240913	557022002	/nfs/dbraw/zinc/02/20/02/557022002.db2.gz	VKKBHJUCJGOWET-CAUYNWHBSA-N	-1	0	425.868	5.743	40	30		IKEBRM
Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)cc1C	ZINC000409214839	557028062	/nfs/dbraw/zinc/02/80/62/557028062.db2.gz	UWBBLMXLOZLYCP-DHRITJCHSA-N	-1	0	438.321	6.094	40	30		IKEBRM
Cc1cccc(/N=C/c2cc(Br)cc(Br)c2OCC(=O)[O-])c1C	ZINC000409215141	557028413	/nfs/dbraw/zinc/02/84/13/557028413.db2.gz	XHEXTXOFOYLFFV-DNTJNYDQSA-N	-1	0	441.119	5.042	40	30		IKEBRM
Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)c(C)c1	ZINC000409214654	557029434	/nfs/dbraw/zinc/02/94/34/557029434.db2.gz	ZEZWRRXDVIKCCY-RPPGKUMJSA-N	-1	0	428.315	6.638	40	30		IKEBRM
Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)S2)cc1	ZINC000408535021	557032709	/nfs/dbraw/zinc/03/27/09/557032709.db2.gz	XGCIKSWZNPRQSQ-HMAPJEAMSA-N	-1	0	444.512	5.164	40	30		IKEBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(N=Nc2ccccc2)cc1	ZINC000408534865	557032733	/nfs/dbraw/zinc/03/27/33/557032733.db2.gz	MSOQNJXMIDHVKS-KYPMJVNZSA-N	-1	0	445.866	5.357	40	30		IKEBRM
CCCCCCCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1	ZINC000408538526	557032953	/nfs/dbraw/zinc/03/29/53/557032953.db2.gz	OGRMQGBXDWNXAR-MOHJPFBDSA-N	-1	0	448.563	5.709	40	30		IKEBRM
Cc1cc(Br)ccc1/N=C\c1cn(Cc2ccc(C(=O)[O-])o2)c2ccccc12	ZINC000408543094	557034278	/nfs/dbraw/zinc/03/42/78/557034278.db2.gz	OTLDBYBEDSKHBR-MYKKPKGFSA-N	-1	0	437.293	5.802	40	30		IKEBRM
N#Cc1ccc(COc2ccccc2/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])cc1	ZINC000408634374	557076311	/nfs/dbraw/zinc/07/63/11/557076311.db2.gz	QILLIAXAAZJFCR-XKZIYDEJSA-N	-1	0	428.469	5.496	40	30		IKEBRM
C=CCOc1ccccc1/C=C(\Sc1nnc(-c2ccc(Cl)cc2)n1CC)C(=O)[O-]	ZINC000408634642	557076659	/nfs/dbraw/zinc/07/66/59/557076659.db2.gz	SZJQCGPAYARULL-RGEXLXHISA-N	-1	0	441.940	5.401	40	30		IKEBRM
COc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2sc3c(c2C(=O)[O-])CCCC3)c1C	ZINC000409385963	557098465	/nfs/dbraw/zinc/09/84/65/557098465.db2.gz	OYYPDFHPXMINSA-BRJLIKDPSA-N	-1	0	442.968	6.145	40	30		IKEBRM
Cc1cc(/C=N\c2ccc(Cl)c(Cl)c2)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000409388009	557099747	/nfs/dbraw/zinc/09/97/47/557099747.db2.gz	ZRJFQLBNTXRYBQ-GATIEOLUSA-N	-1	0	447.387	6.790	40	30		IKEBRM
O=C([O-])c1cccc(-c2ccc(C=Nn3c(=O)c4ccccc4nc3C3CCCCC3)o2)c1	ZINC000409299761	557100321	/nfs/dbraw/zinc/10/03/21/557100321.db2.gz	VFDULFDEONPJBZ-UHFFFAOYSA-N	-1	0	441.487	5.285	40	30		IKEBRM
CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)S/C1=N/c1ccc(C(=O)[O-])cc1	ZINC000100938938	557119069	/nfs/dbraw/zinc/11/90/69/557119069.db2.gz	OPFVOZADAUFVNL-QLIPUSLZSA-N	-1	0	438.892	5.532	40	30		IKEBRM
COc1ccc(/N=C/c2cc(C)n(-c3sc4c(c3C(=O)[O-])CCCC4)c2C)cc1Cl	ZINC000409385933	557141759	/nfs/dbraw/zinc/14/17/59/557141759.db2.gz	MNIHPLHBJVVIEG-BRJLIKDPSA-N	-1	0	442.968	6.145	40	30		IKEBRM
Cc1cc(/C=N\c2ccc(Cl)cc2Cl)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000409385499	557141973	/nfs/dbraw/zinc/14/19/73/557141973.db2.gz	MPQPWNKQENJVIT-GATIEOLUSA-N	-1	0	447.387	6.790	40	30		IKEBRM
COc1cc(/C=N\c2ccc(Br)cc2C)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000409386615	557141993	/nfs/dbraw/zinc/14/19/93/557141993.db2.gz	VTHACJSPVOMUQH-KSEXSDGBSA-N	-1	0	444.281	5.387	40	30		IKEBRM
COC(=O)c1ccc(Cn2cc(/C=N\c3ccc(Cl)c(C(=O)[O-])c3)c3ccccc32)o1	ZINC000409392966	557142893	/nfs/dbraw/zinc/14/28/93/557142893.db2.gz	OLRDWSAUBDTWJA-GATIEOLUSA-N	-1	0	436.851	5.171	40	30		IKEBRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C/c2ccc(Br)cc2)cc1	ZINC000100389851	557259421	/nfs/dbraw/zinc/25/94/21/557259421.db2.gz	XWCSFRGVLNKEAW-HYARGMPZSA-N	-1	0	429.339	5.309	40	30		IKEBRM
C/C(=N\c1ccc(Nc2ccccc2)cc1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000100643617	557267277	/nfs/dbraw/zinc/26/72/77/557267277.db2.gz	PGFCZIJNLPGHSQ-TWKHWXDSSA-N	-1	0	445.522	6.581	40	30		IKEBRM
CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)[C@@]1(C)OC(=O)C(O)=C1[O-]	ZINC000101109030	557283145	/nfs/dbraw/zinc/28/31/45/557283145.db2.gz	WIURPIWWJPTTRG-WZONZLPQSA-N	-1	0	428.566	5.015	40	30		IKEBRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C\c2cc(Br)ccc2O)cc1	ZINC000104099748	557320398	/nfs/dbraw/zinc/32/03/98/557320398.db2.gz	ONAQJBBIODTJEW-XKZIYDEJSA-N	-1	0	445.338	5.015	40	30		IKEBRM
O=S(=O)([N-]c1cc(Cl)c(Cl)cc1/N=C\c1cc(F)ccc1O)c1ccccc1	ZINC000104116016	557320623	/nfs/dbraw/zinc/32/06/23/557320623.db2.gz	BRTBFLOXOZZEKE-KSEXSDGBSA-N	-1	0	439.295	5.390	40	30		IKEBRM
CCCCCCCCCCCCCCCCCC([O-])=C(C(=O)OCC)C(=O)OCC	ZINC000104157362	557321322	/nfs/dbraw/zinc/32/13/22/557321322.db2.gz	GPDXGWPSHSECAO-UHFFFAOYSA-N	-1	0	426.638	6.559	40	30		IKEBRM
CCCCCCCCCCCCCCCCCC(=O)O[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000104255555	557323355	/nfs/dbraw/zinc/32/33/55/557323355.db2.gz	LMWLCVFSYZGFDM-VWLOTQADSA-N	-1	0	432.645	7.487	40	30		IKEBRM
CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])c1	ZINC000016637029	557474867	/nfs/dbraw/zinc/47/48/67/557474867.db2.gz	MUXGXJMDMGWJPC-AWQFTUOYSA-N	-1	0	440.681	5.206	40	30		IKEBRM
CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc(Cl)c4[O-])cc3)nc2c1	ZINC000017103134	557492033	/nfs/dbraw/zinc/49/20/33/557492033.db2.gz	KHHZDOALFTVXOL-HWDKICEFSA-N	-1	0	439.342	7.771	40	30		IKEBRM
Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(-c3ccccc3C(=O)[O-])o2)S1	ZINC000059224383	557818804	/nfs/dbraw/zinc/81/88/04/557818804.db2.gz	PLLGSHHGFJTFAN-ODLFYWEKSA-N	-1	0	438.892	5.498	40	30		IKEBRM
COc1cc(/C=N/c2ccc(Br)cc2)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000059249161	557819148	/nfs/dbraw/zinc/81/91/48/557819148.db2.gz	JEOXETBEGNEULT-ZMOGYAJESA-N	-1	0	440.293	5.486	40	30		IKEBRM
O=C([O-])c1cccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1	ZINC000059249591	557819189	/nfs/dbraw/zinc/81/91/89/557819189.db2.gz	NKEAQRPIRPOQGN-UFFVCSGVSA-N	-1	0	436.714	6.296	40	30		IKEBRM
CCN(CC)c1ccc(/N=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(OC)c2)cc1	ZINC000059250173	557819222	/nfs/dbraw/zinc/81/92/22/557819222.db2.gz	ZJOKADFAHMAVNY-WPWMEQJKSA-N	-1	0	432.520	5.569	40	30		IKEBRM
[O-]c1c(Cl)cc(Cl)cc1CN=Nc1nc(-c2ccccc2)c(-c2ccccc2)s1	ZINC000059484239	557825292	/nfs/dbraw/zinc/82/52/92/557825292.db2.gz	AEWCZIQRHXWGLF-DHRITJCHSA-N	-1	0	440.355	6.936	40	30		IKEBRM
COc1cc(/C=N/c2ccc(C3CCCCC3)cc2)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000059678428	557828284	/nfs/dbraw/zinc/82/82/84/557828284.db2.gz	UFRNHFZHBNNHTM-RDRPBHBLSA-N	-1	0	443.543	6.771	40	30		IKEBRM
COc1cc(C=NNc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000032227803	568866208	/nfs/dbraw/zinc/86/62/08/568866208.db2.gz	DSLFHPZLAIYBQG-ROTLSHHCSA-N	-1	0	445.302	5.725	40	30		IKEBRM
[O-]c1c(Br)cc(I)cc1/C=N/c1ccc(Cl)cc1	ZINC000032121267	568866218	/nfs/dbraw/zinc/86/62/18/568866218.db2.gz	LQVFCGXDCNZIAQ-REZTVBANSA-N	-1	0	436.474	5.163	40	30		IKEBRM
C=C(C)[C@H]1C[C@H](c2ccccc2Cl)[C@@H](C)O[C@@H]1c1cc(CC(=O)[O-])ccc1OCCC	ZINC000585263974	568873649	/nfs/dbraw/zinc/87/36/49/568873649.db2.gz	RYJBKCCWHBCCHV-CXLKWVGHSA-N	-1	0	442.983	6.582	40	30		IKEBRM
C=C(C)[C@H]1C[C@H](c2ccccc2Cl)[C@@H](C)O[C@@H]1c1cc(C(=O)[O-])ccc1OCCC	ZINC000585263919	568873657	/nfs/dbraw/zinc/87/36/57/568873657.db2.gz	GCLUIGPXWOLUCE-QJHDXQOESA-N	-1	0	428.956	6.653	40	30		IKEBRM
C=C(C)[C@H]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(C)C)O[C@@H]1c1cc(C(=O)[O-])ccc1OC	ZINC000585263903	568873680	/nfs/dbraw/zinc/87/36/80/568873680.db2.gz	DPVQLABEKRQKPQ-SHBJFUFKSA-N	-1	0	428.956	6.509	40	30		IKEBRM
C=C(C)[C@H]1C[C@H](c2cccc(Cl)c2)[C@H](C(C)C)O[C@@H]1c1cc(CC(=O)[O-])ccc1OC	ZINC000585263999	568873682	/nfs/dbraw/zinc/87/36/82/568873682.db2.gz	ZNCLTKGROMNSIA-VCPRHENPSA-N	-1	0	442.983	6.438	40	30		IKEBRM
C=C1C(=O)C(=O)C(CCCCCCCCCCCCC[C@H]2O[C@@H]2CCCC)=C([O-])C1O	ZINC000100502369	568904636	/nfs/dbraw/zinc/90/46/36/568904636.db2.gz	CQYLCXGDVUAPIN-FGZHOGPDSA-N	-1	0	434.617	6.811	40	30		IKEBRM
CCOc1cc(C=Nn2c(=S)[n-]nc2-c2ccccc2)ccc1OCc1ccccc1	ZINC000057622567	569249528	/nfs/dbraw/zinc/24/95/28/569249528.db2.gz	SBXVKUKNWLNMAT-PCLIKHOPSA-N	-1	0	430.533	5.468	40	30		IKEBRM
COCc1c(C#N)c(=O)[n-]c(/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c1[N+](=O)[O-]	ZINC000107538708	569250481	/nfs/dbraw/zinc/25/04/81/569250481.db2.gz	CKIJQEXEVANRMZ-FNORWQNLSA-N	-1	0	446.246	5.038	40	30		IKEBRM
N=C1SC(=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C([O-])=C1c1nccs1	ZINC000033537242	569261728	/nfs/dbraw/zinc/26/17/28/569261728.db2.gz	XWEDTQDXFPCRRJ-JKHCLMFGSA-N	-1	0	431.882	5.383	40	30		IKEBRM
Cc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])c(C)n1-c1ccc(C)c(Cl)c1	ZINC000033768303	569261843	/nfs/dbraw/zinc/26/18/43/569261843.db2.gz	PJEDWEMBGXMQMM-XTFHTREESA-N	-1	0	427.982	5.930	40	30		IKEBRM
CCCCC(=O)Nc1cccc(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2[O-])c1	ZINC000038179866	569262164	/nfs/dbraw/zinc/26/21/64/569262164.db2.gz	PKAVJLPORWOIHL-YZSQISJMSA-N	-1	0	431.492	5.771	40	30		IKEBRM
CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc([N+](=O)[O-])c4[O-])c3)nc2c1	ZINC000038180013	569262170	/nfs/dbraw/zinc/26/21/70/569262170.db2.gz	XPBCTOXLTFSPNU-JUCPORTRSA-N	-1	0	449.894	7.026	40	30		IKEBRM
CCCCCCCCOc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1	ZINC000105606098	569262246	/nfs/dbraw/zinc/26/22/46/569262246.db2.gz	PHQZRCYWTBDRKQ-PYCFMQQDSA-N	-1	0	436.577	5.257	40	30		IKEBRM
CCc1nnc(C2=C([O-])C(=Cc3cc(C)n(-c4cccc(C)c4C)c3C)SC2=N)s1	ZINC000107543392	569262260	/nfs/dbraw/zinc/26/22/60/569262260.db2.gz	FQQPVXOSDRGSML-PYXFXZIOSA-N	-1	0	436.606	5.543	40	30		IKEBRM
O=C(NCc1ccco1)c1c2c(sc1/N=C\c1cc(Cl)cc(Cl)c1[O-])CCCC2	ZINC000106775942	569262284	/nfs/dbraw/zinc/26/22/84/569262284.db2.gz	UDXGDKWDIJDQJR-MRUKODCESA-N	-1	0	449.359	5.913	40	30		IKEBRM
CCc1nnc(C2=C([O-])C(=Cc3ccc(OCc4ccc(F)cc4)cc3)SC2=N)s1	ZINC000107755465	569262376	/nfs/dbraw/zinc/26/23/76/569262376.db2.gz	VGVYKRXCCGZXRO-FDKCTOBMSA-N	-1	0	439.537	5.236	40	30		IKEBRM
Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000107947024	569262398	/nfs/dbraw/zinc/26/23/98/569262398.db2.gz	MEXQGYWUIILOPX-FSJBWODESA-N	-1	0	438.509	5.087	40	30		IKEBRM
COc1cccc(/C=N/c2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)c1O	ZINC000109502584	569262550	/nfs/dbraw/zinc/26/25/50/569262550.db2.gz	QZPAZLBFBUDUMA-FOKLQQMPSA-N	-1	0	439.265	5.428	40	30		IKEBRM
COc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c(OC)c1	ZINC000137968271	569262580	/nfs/dbraw/zinc/26/25/80/569262580.db2.gz	NVUHVDSEAZMFPD-DHRITJCHSA-N	-1	0	425.868	5.385	40	30		IKEBRM
Cc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])c(C)n1-c1cccc(Cl)c1C	ZINC000137888762	569262599	/nfs/dbraw/zinc/26/25/99/569262599.db2.gz	WHDRFNUQYCELMY-HOMFIKRPSA-N	-1	0	427.982	5.930	40	30		IKEBRM
Cc1c(C=C2SC(=N)C(c3nccs3)=C2[O-])c2ccccc2n1Cc1ccccc1	ZINC000137831598	569262610	/nfs/dbraw/zinc/26/26/10/569262610.db2.gz	MEKVIHQEISFVFX-ZVSSNCFVSA-N	-1	0	429.570	5.872	40	30		IKEBRM
Cc1c(C=C2SC(=N)C(c3nccs3)=C2[O-])c2ccccc2n1Cc1ccc(F)cc1	ZINC000137811265	569262623	/nfs/dbraw/zinc/26/26/23/569262623.db2.gz	YJSFJYWCIIBBIS-ZDYYVWHCSA-N	-1	0	447.560	6.011	40	30		IKEBRM
CCCCCCC[C@@H](/C=C/CCCCCCCC(=O)OCCCCC)S(=O)(=O)[O-]	ZINC000299888652	569283843	/nfs/dbraw/zinc/28/38/43/569283843.db2.gz	RRUXVNIIXRLORS-SIWPHUPXSA-N	-1	0	432.667	6.624	40	30		IKEBRM
Cc1cc2nc(-c3ccc(/N=C/c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4[O-])cc3)oc2c(C)c1	ZINC000003032280	569437770	/nfs/dbraw/zinc/43/77/70/569437770.db2.gz	JMHDBRYOUQFNJL-FOKLQQMPSA-N	-1	0	432.392	5.384	40	30		IKEBRM
CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)c1[O-]	ZINC000003035785	569437940	/nfs/dbraw/zinc/43/79/40/569437940.db2.gz	VQXHLYXACXISBL-ZMOGYAJESA-N	-1	0	433.489	6.035	40	30		IKEBRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c1[O-]	ZINC000003144753	569440831	/nfs/dbraw/zinc/44/08/31/569440831.db2.gz	WAPBJWOKTHGWLF-LGJNPRDNSA-N	-1	0	443.846	6.666	40	30		IKEBRM