smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1c(C=C([O-])c2ccccc2)nc2ccccc2n1-c1ccccc1	ZINC000100647891	219103274	/nfs/dbraw/zinc/10/32/74/219103274.db2.gz	SNCIFQNCYLDKFM-XDJHFCHBSA-N	-1	3	340.382	4.544	50	30		EJEAHM
O=C1c2ccccc2[N-]/C1=C1\Sc2c(ccc3ccccc23)C1=O	ZINC000003905675	210089543	/nfs/dbraw/zinc/08/95/43/210089543.db2.gz	IGUCNYBLMXAVRH-SILNSSARSA-N	-1	3	329.380	4.648	50	30		EJEAHM
CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(Cl)c1[O-]	ZINC000007718166	210837392	/nfs/dbraw/zinc/83/73/92/210837392.db2.gz	QJMHOXPAEOONLC-FPYGCLRLSA-N	-1	3	337.202	4.994	50	30		EJEAHM
C/C(=N\[O-])c1oc2ccc3c(C)cc(=O)oc3c2c1-c1ccccc1	ZINC000005092785	210388931	/nfs/dbraw/zinc/38/89/31/210388931.db2.gz	BJVVVJKLCSRCEH-CIAFOILYSA-N	-1	3	333.343	4.713	50	30		EJEAHM
CCCOC(=O)c1ccc(/N=C/c2c([O-])ccc3ccccc32)cc1	ZINC000002131697	520222607	/nfs/dbraw/zinc/22/26/07/520222607.db2.gz	BHHYIJUWASGBAT-HYARGMPZSA-N	-1	3	333.387	4.863	50	30		EJEAHM
[O-]c1ccc(Br)cc1/C=N/c1cccc(Cl)c1F	ZINC000044835849	563926689	/nfs/dbraw/zinc/92/66/89/563926689.db2.gz	VOUULZSTVSLPKY-REZTVBANSA-N	-1	3	328.568	4.698	50	30		EJEAHM
CCCCCCCCO[N-]C(=O)Nc1ccc(Br)cc1	ZINC000097950832	563982117	/nfs/dbraw/zinc/98/21/17/563982117.db2.gz	MGIYELIOZJJDDZ-UHFFFAOYSA-N	-1	3	343.265	4.863	50	30		EJEAHM
Cn1nc(-c2ccccc2)c(/C=N/[O-])c1Sc1ccc(Cl)cc1	ZINC000100271483	563992054	/nfs/dbraw/zinc/99/20/54/563992054.db2.gz	LJKODGDDYGBECZ-YBFXNURJSA-N	-1	3	343.839	4.700	50	30		EJEAHM
CCN(C(=O)c1ccc(N=Cc2ccccc2[O-])cc1)c1ccccc1	ZINC000252614697	564086960	/nfs/dbraw/zinc/08/69/60/564086960.db2.gz	JMEKBJYLXDLGMN-UHFFFAOYSA-N	-1	3	344.414	4.810	50	30		EJEAHM
CCN(CC)c1ccc(/N=C/c2cc(Br)ccc2[O-])cc1	ZINC000100007173	219087875	/nfs/dbraw/zinc/08/78/75/219087875.db2.gz	BVSCZWKUKSCRLK-XDHOZWIPSA-N	-1	3	347.256	4.752	50	30		EJEAHM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc2ccccc2c1	ZINC000016607426	563817315	/nfs/dbraw/zinc/81/73/15/563817315.db2.gz	GYANXLOWLMLQSB-ISXGRJCASA-N	-1	3	327.387	4.581	50	30		EJEAHM
COc1cc(/N=C/c2c([O-])ccc3ccccc32)c(OC)cc1Cl	ZINC000086040465	563974059	/nfs/dbraw/zinc/97/40/59/563974059.db2.gz	NHURGBBCGMDYHQ-SRZZPIQSSA-N	-1	3	341.794	4.967	50	30		EJEAHM
Cc1nc2ccc(/N=C/c3cc(Br)ccc3[O-])cc2s1	ZINC000000124501	563986777	/nfs/dbraw/zinc/98/67/77/563986777.db2.gz	COROBNBAAUAJPE-CAOOACKPSA-N	-1	3	347.237	4.823	50	30		EJEAHM
O=C1c2ccc3ccccc3c2[N-]/C1=C1\Sc2ccccc2C1=O	ZINC000100883256	564017001	/nfs/dbraw/zinc/01/70/01/564017001.db2.gz	FOZAWHHJYNOERY-JZJYNLBNSA-N	-1	3	329.380	4.648	50	30		EJEAHM
Cc1ccc(N2[C@@H](C#N)c3ccccc3O[C@@H]2c2ccccc2[O-])cc1	ZINC000005798817	564052244	/nfs/dbraw/zinc/05/22/44/564052244.db2.gz	PKLILLXSSPWLOR-SIKLNZKXSA-N	-1	3	342.398	4.863	50	30		EJEAHM
Cc1ccc(-c2nc3cc(N=Cc4ccc(O)cc4[O-])ccc3o2)cc1	ZINC000252616105	564122060	/nfs/dbraw/zinc/12/20/60/564122060.db2.gz	JXBQHCDFPSIYFV-UHFFFAOYSA-N	-1	3	344.370	4.965	50	30		EJEAHM
C=CCn1c2ccccc2nc1N=C(C)c1cc(Cl)ccc1[O-]	ZINC000252621698	564122897	/nfs/dbraw/zinc/12/28/97/564122897.db2.gz	NEYQTKNRULJUEI-UHFFFAOYSA-N	-1	3	325.799	4.722	50	30		EJEAHM
COc1cc(Br)cc(C=Nc2cc(C)ccc2C)c1[O-]	ZINC000252623942	564123132	/nfs/dbraw/zinc/12/31/32/564123132.db2.gz	PCSCHJKYTOHCIT-UHFFFAOYSA-N	-1	3	334.213	4.531	50	30		EJEAHM
COc1ccc(N=Cc2c([O-])ccc3ccccc32)c2ncccc12	ZINC000252633348	564124253	/nfs/dbraw/zinc/12/42/53/564124253.db2.gz	WDAWHBXZACTWTN-UHFFFAOYSA-N	-1	3	328.371	4.853	50	30		EJEAHM
COc1cc(Br)ccc1/N=C/c1cc(Cl)ccc1[O-]	ZINC000102423456	219202651	/nfs/dbraw/zinc/20/26/51/219202651.db2.gz	FBGRXFUHYJCOQQ-CAOOACKPSA-N	-1	3	340.604	4.567	50	30		EJEAHM
C=CCc1c2c(ccc1[O-])n(-c1ccc(OC)cc1)c(C)c2C(C)=O	ZINC000038493320	213211644	/nfs/dbraw/zinc/21/16/44/213211644.db2.gz	CDHQGIJYCVZSIA-UHFFFAOYSA-N	-1	3	335.403	4.584	50	30		EJEAHM
COc1ccc(/N=C/c2c([O-])ccc3ccccc32)c2ncccc12	ZINC000000063404	209396343	/nfs/dbraw/zinc/39/63/43/209396343.db2.gz	WDAWHBXZACTWTN-YDZHTSKRSA-N	-1	3	328.371	4.853	50	30		EJEAHM
[O-]c1ccccc1/C=N/c1cc(C(F)(F)F)ccc1N1CCCC1	ZINC000000063768	209395787	/nfs/dbraw/zinc/39/57/87/209395787.db2.gz	HECWVXVNBSXDQB-WSDLNYQXSA-N	-1	3	334.341	4.762	50	30		EJEAHM
CCCOc1ccc(C/N=C/c2cc(Br)ccc2[O-])cc1	ZINC000057411902	564153994	/nfs/dbraw/zinc/15/39/94/564153994.db2.gz	FWUQUMPMDQBRHZ-XDHOZWIPSA-N	-1	3	348.240	4.563	50	30		EJEAHM
[O-]c1ccc(Br)cc1/C=N/c1cc(F)ccc1Cl	ZINC000044835846	563926683	/nfs/dbraw/zinc/92/66/83/563926683.db2.gz	GNTMVGIBHFBODP-REZTVBANSA-N	-1	3	328.568	4.698	50	30		EJEAHM
[O-]c1ccc(/C=N/c2c(-c3ccco3)nc3ccc(Cl)cn32)cc1	ZINC000000094588	563976620	/nfs/dbraw/zinc/97/66/20/563976620.db2.gz	GYVCSDJZLBRLNA-KEBDBYFISA-N	-1	3	337.766	4.704	50	30		EJEAHM
[O-]c1ccc(Br)cc1/C=N/c1ccccc1C(F)(F)F	ZINC000044835860	564027278	/nfs/dbraw/zinc/02/72/78/564027278.db2.gz	ONLZNYTZHHXCFF-UFWORHAWSA-N	-1	3	344.130	4.924	50	30		EJEAHM
C=CCn1c2ccccc2nc1N[C@H](C)c1cc(Cl)ccc1[O-]	ZINC000000617402	564074649	/nfs/dbraw/zinc/07/46/49/564074649.db2.gz	AJUQPKSBJYBNTO-GFCCVEGCSA-N	-1	3	327.815	4.754	50	30		EJEAHM
CCCOC(=O)c1ccc(N=Cc2c([O-])ccc3ccccc32)cc1	ZINC000252460060	564118660	/nfs/dbraw/zinc/11/86/60/564118660.db2.gz	BHHYIJUWASGBAT-UHFFFAOYSA-N	-1	3	333.387	4.863	50	30		EJEAHM
Cc1ccc(N=Cc2cc(C)cc(C=Nc3ccc(C)cn3)c2[O-])nc1	ZINC000252678297	564124884	/nfs/dbraw/zinc/12/48/84/564124884.db2.gz	DHKDPKHYGWLHPJ-UHFFFAOYSA-N	-1	3	344.418	4.609	50	30		EJEAHM
C/C(=N/[O-])c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1	ZINC000100067402	219089810	/nfs/dbraw/zinc/08/98/10/219089810.db2.gz	PYOMNTQHOYAXHS-GXHLCREISA-N	-1	3	334.750	4.604	50	30		EJEAHM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc2ccccc2c1	ZINC000100149990	219092778	/nfs/dbraw/zinc/09/27/78/219092778.db2.gz	GYANXLOWLMLQSB-YRXLECQKSA-N	-1	3	327.387	4.581	50	30		EJEAHM
COc1cc(Br)cc(/C=N/c2ccc(Cl)cc2)c1[O-]	ZINC000100318838	219097089	/nfs/dbraw/zinc/09/70/89/219097089.db2.gz	AOTVWKZCCRIMON-CAOOACKPSA-N	-1	3	340.604	4.567	50	30		EJEAHM
CCC(=NNc1ccc(F)cc1)c1ccc(Br)cc1[O-]	ZINC000036040056	213058397	/nfs/dbraw/zinc/05/83/97/213058397.db2.gz	YBTPGAKOWHNJQJ-XMHGGMMESA-N	-1	3	337.192	4.520	50	30		EJEAHM
Cc1ccc(Cn2c3ccccc3nc2/N=C/c2ccccc2[O-])cc1	ZINC000000255331	209505775	/nfs/dbraw/zinc/50/57/75/209505775.db2.gz	PYMORHQBGLNIKU-OEAKJJBVSA-N	-1	3	341.414	4.849	50	30		EJEAHM
C=C(C)COc1ccc(-c2oncc2-c2ccccc2OC)c([O-])c1	ZINC000005450817	518612894	/nfs/dbraw/zinc/61/28/94/518612894.db2.gz	WAJHCPSNMPXKBK-UHFFFAOYSA-N	-1	3	337.375	4.678	50	30		EJEAHM
CCOc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(Cl)c1[O-]	ZINC000012754977	520619154	/nfs/dbraw/zinc/61/91/54/520619154.db2.gz	VPPXBEUGSHISCJ-VOTSOKGWSA-N	-1	3	346.810	4.657	50	30		EJEAHM
N#CCCSc1ccccc1[N-]C(=O)c1nc2ccccc2s1	ZINC000004176940	526463577	/nfs/dbraw/zinc/46/35/77/526463577.db2.gz	IKPPJBWVMWFOHX-UHFFFAOYSA-N	-1	3	339.445	4.554	50	30		EJEAHM
Cc1cccc2oc(-c3cccc(/N=C/c4ccc([O-])cc4O)c3)nc21	ZINC000000226561	563988938	/nfs/dbraw/zinc/98/89/38/563988938.db2.gz	VLWBSSRDZIZUBM-WSDLNYQXSA-N	-1	3	344.370	4.965	50	30		EJEAHM
Cc1cccc2oc(-c3cccc(/N=C/c4ccc(O)cc4[O-])c3)nc21	ZINC000000226561	563988939	/nfs/dbraw/zinc/98/89/39/563988939.db2.gz	VLWBSSRDZIZUBM-WSDLNYQXSA-N	-1	3	344.370	4.965	50	30		EJEAHM
COc1cc(Cl)ccc1N=Cc1cc(Br)ccc1[O-]	ZINC000252609546	563997964	/nfs/dbraw/zinc/99/79/64/563997964.db2.gz	HUGKOCWBTRKMQG-UHFFFAOYSA-N	-1	3	340.604	4.567	50	30		EJEAHM
Cc1ccc(N2[C@@H](C#N)c3ccccc3O[C@H]2c2ccccc2[O-])cc1	ZINC000017201367	564011399	/nfs/dbraw/zinc/01/13/99/564011399.db2.gz	PKLILLXSSPWLOR-UGKGYDQZSA-N	-1	3	342.398	4.863	50	30		EJEAHM
Cc1nc2cc(/N=C/c3ccccc3[O-])ccc2n1Cc1ccccc1	ZINC000000502401	564019073	/nfs/dbraw/zinc/01/90/73/564019073.db2.gz	PNQRMWDRZVRYPD-OEAKJJBVSA-N	-1	3	341.414	4.849	50	30		EJEAHM
C=CCc1cccc(/C=N/c2ccc(Cc3ccncc3)cc2)c1[O-]	ZINC000000578565	564024303	/nfs/dbraw/zinc/02/43/03/564024303.db2.gz	KIWBQHIDCIPISB-LFVJCYFKSA-N	-1	3	328.415	4.857	50	30		EJEAHM
Cc1ccc(N2[C@@H](c3ccccc3[O-])Oc3ccccc3[C@H]2C#N)cc1	ZINC000001003570	564054040	/nfs/dbraw/zinc/05/40/40/564054040.db2.gz	PKLILLXSSPWLOR-DENIHFKCSA-N	-1	3	342.398	4.863	50	30		EJEAHM
CCC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)C(F)(F)F)sc2C1	ZINC000002749089	564054557	/nfs/dbraw/zinc/05/45/57/564054557.db2.gz	HSNQGAACGGYDRH-SECBINFHSA-N	-1	3	344.402	4.662	50	30		EJEAHM
O=C1ON=C(c2ccc(Cl)cc2)/C1=C/c1c([O-])ccc2ccccc21	ZINC000252483815	564119244	/nfs/dbraw/zinc/11/92/44/564119244.db2.gz	FIYVUWNSHDPMPP-BOPFTXTBSA-N	-1	3	349.773	4.543	50	30		EJEAHM
O=C(/C(=C\c1ccc([O-])cc1)c1nc2ccccc2[nH]1)c1ccccc1	ZINC000051105001	214079072	/nfs/dbraw/zinc/07/90/72/214079072.db2.gz	SWSHNAWSMZANNC-NBVRZTHBSA-N	-1	3	340.382	4.692	50	30		EJEAHM
C=CCC1=C([O-])C(=C2Sc3ccccc3N2CC)SC1=S	ZINC000101196443	219118922	/nfs/dbraw/zinc/11/89/22/219118922.db2.gz	UPCZEHCWRAYRMR-PQJBRBTKSA-N	-1	3	333.503	4.623	50	30		EJEAHM
C=CCc1cccc(/C=N/c2ccc(C)cc2Br)c1[O-]	ZINC000101332546	219122727	/nfs/dbraw/zinc/12/27/27/219122727.db2.gz	YSWWASCLSKNMKN-YBFXNURJSA-N	-1	3	330.225	4.942	50	30		EJEAHM
[O-]c1ccccc1/C=N/c1ccc(C23C[C@H]4C[C@H](CC(O)(C4)C2)C3)cc1	ZINC000017720141	563845453	/nfs/dbraw/zinc/84/54/53/563845453.db2.gz	BXNNSVSYOZRPCZ-RLMIWOPVSA-N	-1	3	347.458	4.726	50	30		EJEAHM
CCCCCCCCCCCCOC(=O)c1cc(O)c([O-])c(O)c1	ZINC000033861415	563916585	/nfs/dbraw/zinc/91/65/85/563916585.db2.gz	RPWFJAMTCNSJKK-UHFFFAOYSA-N	-1	3	338.444	4.881	50	30	endogenous,in-man	EJEAHM
CCCCOC(=O)c1ccc(/N=C/c2cc(Cl)ccc2[O-])cc1	ZINC000072328188	563966358	/nfs/dbraw/zinc/96/63/58/563966358.db2.gz	CCDJEFKOIYSKMF-UDWIEESQSA-N	-1	3	331.799	4.753	50	30		EJEAHM
[O-]c1ccccc1/C=N/c1nc(C(F)(F)F)c(-c2ccccn2)s1	ZINC000000221678	563988835	/nfs/dbraw/zinc/98/88/35/563988835.db2.gz	NVJTYBBUJDGOGQ-ZVBGSRNCSA-N	-1	3	349.337	4.680	50	30		EJEAHM
COC(=O)c1ccccc1/N=C/c1c2c(ccc1[O-])oc1c2CCCC1	ZINC000000502472	564019109	/nfs/dbraw/zinc/01/91/09/564019109.db2.gz	RVHYYLMLKNNMCM-WSDLNYQXSA-N	-1	3	349.386	4.554	50	30		EJEAHM
Cc1sc2ncnc(N=NCc3c([O-])ccc4ccccc43)c2c1C	ZINC000004680371	210246036	/nfs/dbraw/zinc/24/60/36/210246036.db2.gz	ZHLIBGVCPIYWGR-LSFURLLWSA-N	-1	3	348.431	4.613	50	30		EJEAHM
N#Cc1c([N-]C(=O)c2cc(Cl)sc2Cl)sc2c1CCC2	ZINC000004174163	210139516	/nfs/dbraw/zinc/13/95/16/210139516.db2.gz	HMGNHPMJCZTRGL-UHFFFAOYSA-N	-1	3	343.260	4.729	50	30		EJEAHM
COc1cc(/C=N/[O-])cc(Cl)c1OCc1cccc2ccccc21	ZINC000016195680	563805651	/nfs/dbraw/zinc/80/56/51/563805651.db2.gz	QRTXYVLSSIMLJQ-SRZZPIQSSA-N	-1	3	341.794	4.889	50	30		EJEAHM
C=CCc1cccc(/C=N/c2sc(C)c(C)c2C(=O)OCC)c1[O-]	ZINC000000236746	563989061	/nfs/dbraw/zinc/98/90/61/563989061.db2.gz	DIVKHQNRYNBWHV-RGVLZGJSSA-N	-1	3	343.448	4.726	50	30		EJEAHM
CCOC(=O)c1c(C)c(C)sc1/N=C/c1cc(Cl)ccc1[O-]	ZINC000000501621	564019066	/nfs/dbraw/zinc/01/90/66/564019066.db2.gz	QMLNLDGXBJEORS-QGMBQPNBSA-N	-1	3	337.828	4.651	50	30		EJEAHM
O=[N+]([O-])c1ccc(Cl)c(/N=C/c2c([O-])ccc3ccccc23)c1	ZINC000002143369	564076032	/nfs/dbraw/zinc/07/60/32/564076032.db2.gz	IYQOQXSADMTHOA-VXLYETTFSA-N	-1	3	326.739	4.858	50	30		EJEAHM
O=[N+]([O-])c1cc(/N=C/c2c([O-])ccc3ccccc23)ccc1Cl	ZINC000002143393	564076035	/nfs/dbraw/zinc/07/60/35/564076035.db2.gz	FGFHERPSWDBIPZ-VXLYETTFSA-N	-1	3	326.739	4.858	50	30		EJEAHM
N#Cc1ccccc1CSc1nnc([N-]c2ccccc2F)s1	ZINC000006788669	564097830	/nfs/dbraw/zinc/09/78/30/564097830.db2.gz	JBILFUDNPAIFMO-UHFFFAOYSA-N	-1	3	342.424	4.585	50	30		EJEAHM
COc1cc(Br)cc(C=Nc2ccc(Cl)cc2)c1[O-]	ZINC000252589961	564120842	/nfs/dbraw/zinc/12/08/42/564120842.db2.gz	AOTVWKZCCRIMON-UHFFFAOYSA-N	-1	3	340.604	4.567	50	30		EJEAHM
[O-]c1ccc(Cl)cc1C=Nc1c(-c2ccco2)nc2ccccn21	ZINC000252598711	564121159	/nfs/dbraw/zinc/12/11/59/564121159.db2.gz	DCMFCTNUVTZPFK-UHFFFAOYSA-N	-1	3	337.766	4.704	50	30		EJEAHM
CCCCc1c(C)c2ccc3oc(C(C)=N[O-])c(C)c3c2oc1=O	ZINC000252633286	564124158	/nfs/dbraw/zinc/12/41/58/564124158.db2.gz	WBOPKJWHMXHCKJ-UHFFFAOYSA-N	-1	3	327.380	4.697	50	30		EJEAHM
N#Cc1c(=S)[n-]c(SCc2ccccc2)nc1-c1ccccc1	ZINC000000163407	564132952	/nfs/dbraw/zinc/13/29/52/564132952.db2.gz	UPJNEFVUQZXCTR-UHFFFAOYSA-N	-1	3	335.457	4.596	50	30		EJEAHM
CC(C)Oc1ccc(C/N=C/c2cc(Br)ccc2[O-])cc1	ZINC000057412000	564154004	/nfs/dbraw/zinc/15/40/04/564154004.db2.gz	RMJFVBNOOSDUQG-YBFXNURJSA-N	-1	3	348.240	4.561	50	30		EJEAHM
Cc1ccc(N2[C@H](C#N)c3ccccc3O[C@H]2c2ccccc2[O-])cc1	ZINC000245226294	564168733	/nfs/dbraw/zinc/16/87/33/564168733.db2.gz	PKLILLXSSPWLOR-KNQAVFIVSA-N	-1	3	342.398	4.863	50	30		EJEAHM
[O-]c1ccc(Cl)cc1/C=N/c1ccc(F)cc1Br	ZINC000100037406	219088991	/nfs/dbraw/zinc/08/89/91/219088991.db2.gz	LUSUJIHFPCUPLW-REZTVBANSA-N	-1	3	328.568	4.698	50	30		EJEAHM
COc1ccc(Cl)cc1/N=C/c1cc(Br)ccc1[O-]	ZINC000005286883	563525221	/nfs/dbraw/zinc/52/52/21/563525221.db2.gz	CQOZPXMKTSNFGK-CAOOACKPSA-N	-1	3	340.604	4.567	50	30		EJEAHM
[O-]c1ccc2ccccc2c1/C=N/c1cnc(-c2ccccc2)nc1	ZINC000022204212	563918560	/nfs/dbraw/zinc/91/85/60/563918560.db2.gz	YPDORCNJJFNSIJ-HYARGMPZSA-N	-1	3	325.371	4.753	50	30		EJEAHM
[O-]c1ccc(Br)cc1/C=N/c1cc(Cl)ccc1F	ZINC000044835907	563926673	/nfs/dbraw/zinc/92/66/73/563926673.db2.gz	QJJKRPSZWHKXLL-REZTVBANSA-N	-1	3	328.568	4.698	50	30		EJEAHM
[O-]c1ccc(Cl)cc1/C=N\c1ccc(F)cc1Br	ZINC000000145507	563987204	/nfs/dbraw/zinc/98/72/04/563987204.db2.gz	LUSUJIHFPCUPLW-IDUWFGFVSA-N	-1	3	328.568	4.698	50	30		EJEAHM
CCN(CC)c1ccc(/C=N/c2ccccc2Br)c([O-])c1	ZINC000003218435	564058546	/nfs/dbraw/zinc/05/85/46/564058546.db2.gz	RLSHNWICTIVFMA-XDHOZWIPSA-N	-1	3	347.256	4.752	50	30		EJEAHM
C=C(C)CS[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1	ZINC000012975275	564073725	/nfs/dbraw/zinc/07/37/25/564073725.db2.gz	LAFNOXHJBCBYRI-JTQLQIEISA-N	-1	3	332.450	4.615	50	30		EJEAHM
Cc1cccc(-c2nc3cc(N=Cc4ccc(O)cc4[O-])ccc3o2)c1	ZINC000252619858	564122330	/nfs/dbraw/zinc/12/23/30/564122330.db2.gz	LTGPHDIQXWYAHN-UHFFFAOYSA-N	-1	3	344.370	4.965	50	30		EJEAHM
CCOc1ccc(C=Nc2ccc(Cl)c3cccnc23)c([O-])c1	ZINC000252621778	564122899	/nfs/dbraw/zinc/12/28/99/564122899.db2.gz	NGQKHJSJOWEZPJ-UHFFFAOYSA-N	-1	3	326.783	4.743	50	30		EJEAHM
O=c1c(C=C([O-])c2ccccc2)nc2ccccc2n1-c1ccccc1	ZINC000100486201	219100583	/nfs/dbraw/zinc/10/05/83/219100583.db2.gz	SNCIFQNCYLDKFM-CYVLTUHYSA-N	-1	3	340.382	4.544	50	30		EJEAHM
[O-]c1ccc2ccccc2c1/C=N/N=C\c1cccc2ccc(O)cc12	ZINC000004760448	210271959	/nfs/dbraw/zinc/27/19/59/210271959.db2.gz	BHDQMRQBJXZNAO-NQGGHMMCSA-N	-1	3	340.382	4.857	50	30		EJEAHM
[O-]c1ccc2ccccc2c1/C=N/N=C/c1c(O)ccc2ccccc21	ZINC000001718863	563406842	/nfs/dbraw/zinc/40/68/42/563406842.db2.gz	SYRBOMODLUADBZ-RNIAWFEPSA-N	-1	3	340.382	4.857	50	30		EJEAHM
C=CCn1c2ccccc2nc1/N=C(\C)c1cc(Cl)ccc1[O-]	ZINC000004608499	563930791	/nfs/dbraw/zinc/93/07/91/563930791.db2.gz	NEYQTKNRULJUEI-UDWIEESQSA-N	-1	3	325.799	4.722	50	30		EJEAHM
O=C1c2ccccc2[N-]/C1=C1\Sc2ccc3ccccc3c2C1=O	ZINC000100573289	563993858	/nfs/dbraw/zinc/99/38/58/563993858.db2.gz	RZJYEAXZXIJKCJ-JZJYNLBNSA-N	-1	3	329.380	4.648	50	30		EJEAHM
[O-]c1ccc2ccccc2c1C=NN=Cc1c(O)ccc2ccccc21	ZINC000254523623	564116680	/nfs/dbraw/zinc/11/66/80/564116680.db2.gz	SYRBOMODLUADBZ-UHFFFAOYSA-N	-1	3	340.382	4.857	50	30		EJEAHM
CCO[P@](=O)(C#CC(C)(C)C)[C@]([O-])(c1ccccc1)C(F)(F)F	ZINC000002317754	564132166	/nfs/dbraw/zinc/13/21/66/564132166.db2.gz	LOOMGBANYDMLRT-IQMFZBJNSA-N	-1	3	348.301	4.716	50	30		EJEAHM
Cc1c(C(=O)Nc2ccccc2Cl)oc2c1/C(=N\[O-])CC(C)(C)C2	ZINC000100931430	219111761	/nfs/dbraw/zinc/11/17/61/219111761.db2.gz	MAHCTIXFSPZEMA-BKUYFWCQSA-N	-1	3	346.814	4.644	50	30		EJEAHM
O=C(Nc1ccc(/N=C/c2cc(Cl)ccc2[O-])cc1)c1ccco1	ZINC000023605803	202106179	/nfs/dbraw/zinc/10/61/79/202106179.db2.gz	RMJOXKDIGXSMGX-RGVLZGJSSA-N	-1	3	340.766	4.642	50	30		EJEAHM
CCN(CC)c1ccc(/C=N/c2ccc(Br)cc2)c([O-])c1	ZINC000009434565	211082982	/nfs/dbraw/zinc/08/29/82/211082982.db2.gz	FTIFCYFKTVQYRJ-XDHOZWIPSA-N	-1	3	347.256	4.752	50	30		EJEAHM
CCOC(=O)c1c(/N=C/c2ccc(C)cc2[O-])sc2c1CCCC2	ZINC000004899342	210315867	/nfs/dbraw/zinc/31/58/67/210315867.db2.gz	JFHIXANWPGTDEX-RGVLZGJSSA-N	-1	3	343.448	4.568	50	30		EJEAHM
COc1cc(/C=C/C(=O)c2ccc(CC(C)C)cc2)cc(OC)c1[O-]	ZINC000008322113	521937652	/nfs/dbraw/zinc/93/76/52/521937652.db2.gz	YCHRDJFSXPNTKR-JXMROGBWSA-N	-1	3	340.419	4.504	50	30		EJEAHM
CCN(CC)c1ccc(/C=N/c2sc(C)c(C)c2C#N)c([O-])c1	ZINC000000268138	563990016	/nfs/dbraw/zinc/99/00/16/563990016.db2.gz	USYDCHJEILWAGB-RGVLZGJSSA-N	-1	3	327.453	4.539	50	30		EJEAHM
COc1ccc2nc(/N=C/c3c([O-])ccc4ccccc43)sc2c1	ZINC000000545694	564022696	/nfs/dbraw/zinc/02/26/96/564022696.db2.gz	OKAWYCYENNOONO-RGVLZGJSSA-N	-1	3	334.400	4.914	50	30		EJEAHM
Cc1cc(O)cc([O-])c1C=Nc1ccc2oc(-c3ccccc3)nc2c1	ZINC000252606511	564121306	/nfs/dbraw/zinc/12/13/06/564121306.db2.gz	GTAAISQGVGTZOT-UHFFFAOYSA-N	-1	3	344.370	4.965	50	30		EJEAHM
CCOC(=O)c1ccc(-c2ccc(C=Nc3ccc([O-])cc3)o2)cc1	ZINC000252621040	564122849	/nfs/dbraw/zinc/12/28/49/564122849.db2.gz	MRPYMRCXGWFCPC-UHFFFAOYSA-N	-1	3	335.359	4.580	50	30		EJEAHM
[O-]c1ccc(Br)cc1/C=N/Cc1ccc(F)cc1Cl	ZINC000057411935	564154013	/nfs/dbraw/zinc/15/40/13/564154013.db2.gz	DKNUDENRBRISBS-QGMBQPNBSA-N	-1	3	342.595	4.566	50	30		EJEAHM
CC(C)(C)c1csc(N=NCc2c([O-])ccc3ccccc32)n1	ZINC000004616832	210231692	/nfs/dbraw/zinc/23/16/92/210231692.db2.gz	ZXACBRNDSDKEDF-VXLYETTFSA-N	-1	3	325.437	4.745	50	30		EJEAHM
COc1cc(Br)cc(/C=N\c2ccccc2Cl)c1[O-]	ZINC000100318808	219096786	/nfs/dbraw/zinc/09/67/86/219096786.db2.gz	ZMLMMJMBSRGDFM-IUXPMGMMSA-N	-1	3	340.604	4.567	50	30		EJEAHM
CCO[P@](=O)(C#CC(C)(C)C)[C@@]([O-])(c1ccccc1)C(F)(F)F	ZINC000004327991	210172303	/nfs/dbraw/zinc/17/23/03/210172303.db2.gz	LOOMGBANYDMLRT-NPMXOYFQSA-N	-1	3	348.301	4.716	50	30		EJEAHM
[O-]c1ccc(Br)cc1/C=N/Cc1csc2ccccc12	ZINC000000069403	209399436	/nfs/dbraw/zinc/39/94/36/209399436.db2.gz	DBTBHSDYXSSRBB-QGMBQPNBSA-N	-1	3	346.249	4.989	50	30		EJEAHM
[O-]c1ccc(Br)cc1/C=N\c1cccc2c1CCCC2	ZINC000044835820	564027271	/nfs/dbraw/zinc/02/72/71/564027271.db2.gz	OWJYPBZPHVKSKZ-ODLFYWEKSA-N	-1	3	330.225	4.784	50	30		EJEAHM
COC(=O)c1ccc(/N=C/c2c3c(ccc2[O-])oc2c3CCCC2)cc1	ZINC000000090229	563976518	/nfs/dbraw/zinc/97/65/18/563976518.db2.gz	DJVWCVMXTNWBED-WSDLNYQXSA-N	-1	3	349.386	4.554	50	30		EJEAHM
O=C(Nc1cccc(/N=C/c2cc(Cl)ccc2[O-])c1)c1ccco1	ZINC000000243573	563989236	/nfs/dbraw/zinc/98/92/36/563989236.db2.gz	WKJNORJROPHQGO-RGVLZGJSSA-N	-1	3	340.766	4.642	50	30		EJEAHM
CCCCCCOC(=O)c1ccc(/N=C/c2ccccc2[O-])cc1	ZINC000005502300	564093298	/nfs/dbraw/zinc/09/32/98/564093298.db2.gz	YKAYFNVROVMEIT-RCCKNPSSSA-N	-1	3	325.408	4.880	50	30		EJEAHM
C=CCc1cccc(C=Nc2ccc(C)cc2Br)c1[O-]	ZINC000252640390	564124618	/nfs/dbraw/zinc/12/46/18/564124618.db2.gz	YSWWASCLSKNMKN-UHFFFAOYSA-N	-1	3	330.225	4.942	50	30		EJEAHM
N#Cc1c([N-]C(=O)c2c(F)cccc2F)sc2c1CCCCCC2	ZINC000000371636	564133145	/nfs/dbraw/zinc/13/31/45/564133145.db2.gz	IYUUEUMPIYKCRK-UHFFFAOYSA-N	-1	3	346.402	4.809	50	30		EJEAHM
Cc1ccc2[nH]c(=NN=Cc3c([O-])ccc4ccccc43)sc2c1	ZINC000098086924	219081782	/nfs/dbraw/zinc/08/17/82/219081782.db2.gz	YLUMZQCIHVQIDW-JAIQZWGSSA-N	-1	3	333.416	4.910	50	30		EJEAHM
N#Cc1ccc(CSc2nnc([N-]c3ccccc3F)s2)cc1	ZINC000010077405	211145247	/nfs/dbraw/zinc/14/52/47/211145247.db2.gz	XGGBGSPLMPQBDM-UHFFFAOYSA-N	-1	3	342.424	4.585	50	30		EJEAHM
CCOc1cc(/C=N/[O-])ccc1OCc1ccc(Cl)cc1Cl	ZINC000016689119	520643420	/nfs/dbraw/zinc/64/34/20/520643420.db2.gz	RAAWWSJKHKLFRK-DJKKODMXSA-N	-1	3	340.206	4.779	50	30		EJEAHM
CCN(CC)c1ccc(/N=C/c2ccc(N(CC)CC)cc2[O-])cc1	ZINC000013126874	563689596	/nfs/dbraw/zinc/68/95/96/563689596.db2.gz	LNYQEQXQKKKFCI-CJLVFECKSA-N	-1	3	339.483	4.835	50	30		EJEAHM
O=c1[nH]c2ccccc2nc1C=C([O-])c1ccc(C2CCCCC2)cc1	ZINC000004821978	563983187	/nfs/dbraw/zinc/98/31/87/563983187.db2.gz	HQVWTWRBJCZJHU-ZHZULCJRSA-N	-1	3	346.430	4.865	50	30		EJEAHM
Cn1nc(-c2ccccc2)c(/C=N/[O-])c1Sc1ccccc1Cl	ZINC000100271466	563992051	/nfs/dbraw/zinc/99/20/51/563992051.db2.gz	FJGLIUQNFBUQNF-YBFXNURJSA-N	-1	3	343.839	4.700	50	30		EJEAHM
COc1cc(OC)c(N=Cc2c([O-])ccc3ccccc32)cc1Cl	ZINC000254403341	564053685	/nfs/dbraw/zinc/05/36/85/564053685.db2.gz	GNCOPYUPLGOZEE-UHFFFAOYSA-N	-1	3	341.794	4.967	50	30		EJEAHM
Cc1cc(NN=Cc2c([O-])ccc3ccccc32)nc2ccccc12	ZINC000004677919	210244605	/nfs/dbraw/zinc/24/46/05/210244605.db2.gz	HNDWLDLYWWZWJR-LPYMAVHISA-N	-1	3	327.387	4.848	50	30		EJEAHM
CCCN(CCC)c1ccc(/C=C2/Cc3c(cccc3[O-])C2=O)cc1	ZINC000096931941	201378540	/nfs/dbraw/zinc/37/85/40/201378540.db2.gz	QGKOCGXQXTYGJA-VKAVYKQESA-N	-1	3	335.447	4.841	50	30		EJEAHM
[O-]c1ccc(Cl)cc1/C=N/N=C1c2ccccc2-c2ccccc21	ZINC000000235716	563263770	/nfs/dbraw/zinc/26/37/70/563263770.db2.gz	GSDHGVOQOPPMQU-WSDLNYQXSA-N	-1	3	332.790	4.898	50	30		EJEAHM
COc1cc(Cl)ccc1/N=C/c1cc(Br)ccc1[O-]	ZINC000000353849	563290466	/nfs/dbraw/zinc/29/04/66/563290466.db2.gz	HUGKOCWBTRKMQG-CAOOACKPSA-N	-1	3	340.604	4.567	50	30		EJEAHM
CCOC(=O)c1c(/N=C/c2cc(Cl)ccc2[O-])sc2c1CCC2	ZINC000004888987	564067114	/nfs/dbraw/zinc/06/71/14/564067114.db2.gz	MBVQTWADRHVFFH-DJKKODMXSA-N	-1	3	349.839	4.523	50	30		EJEAHM
C=CCn1c2ccccc2nc1N[C@@H](C)c1cc(Cl)ccc1[O-]	ZINC000000617401	564074643	/nfs/dbraw/zinc/07/46/43/564074643.db2.gz	AJUQPKSBJYBNTO-LBPRGKRZSA-N	-1	3	327.815	4.754	50	30		EJEAHM
CCO[P@@](=O)(C#CC(C)(C)C)[C@]([O-])(c1ccccc1)C(F)(F)F	ZINC000002317753	564132178	/nfs/dbraw/zinc/13/21/78/564132178.db2.gz	LOOMGBANYDMLRT-CMJOXMDJSA-N	-1	3	348.301	4.716	50	30		EJEAHM
[O-]c1ccccc1C=NNc1nc2c(cc(Cl)cc2Cl)s1	ZINC000004382708	210183538	/nfs/dbraw/zinc/18/35/38/210183538.db2.gz	UWHUJDFEBVWUDP-REZTVBANSA-N	-1	3	338.219	4.755	50	30		EJEAHM
CCO[P@@](=O)(C#CC(C)(C)C)[C@@]([O-])(c1ccccc1)C(F)(F)F	ZINC000004327990	210171714	/nfs/dbraw/zinc/17/17/14/210171714.db2.gz	LOOMGBANYDMLRT-WNSKOXEYSA-N	-1	3	348.301	4.716	50	30		EJEAHM
[O-]/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	ZINC000002584084	258049974	/nfs/dbraw/zinc/04/99/74/258049974.db2.gz	BTTPSAYYBOVDKX-HYARGMPZSA-N	-1	3	333.387	4.653	50	30		EJEAHM
CCN(CC)c1ccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c([O-])c1	ZINC000000174009	563252223	/nfs/dbraw/zinc/25/22/23/563252223.db2.gz	BOJNTKDIXKWTAY-YBFXNURJSA-N	-1	3	347.802	4.551	50	30		EJEAHM
[O-]c1c(Cl)cc(Cl)cc1C=NNc1nc2ccccc2s1	ZINC000004491425	563503544	/nfs/dbraw/zinc/50/35/44/563503544.db2.gz	IVSQYOFNPGONTE-REZTVBANSA-N	-1	3	338.219	4.755	50	30		EJEAHM
CCCCc1c(C)c2ccc3oc(/C(C)=N/[O-])c(C)c3c2oc1=O	ZINC000004665005	563507223	/nfs/dbraw/zinc/50/72/23/563507223.db2.gz	WBOPKJWHMXHCKJ-UDWIEESQSA-N	-1	3	327.380	4.697	50	30		EJEAHM
CCN(CC)c1ccc(/C=N/c2cccc(Br)c2)c([O-])c1	ZINC000013943126	563732129	/nfs/dbraw/zinc/73/21/29/563732129.db2.gz	WWVXMTJLRFAZPX-XDHOZWIPSA-N	-1	3	347.256	4.752	50	30		EJEAHM
CCOc1cc(Cl)cc(/C=N/c2ccccc2N2CCCC2)c1[O-]	ZINC000000554614	564023057	/nfs/dbraw/zinc/02/30/57/564023057.db2.gz	JIGBPAYRIGWJSC-FYJGNVAPSA-N	-1	3	344.842	4.795	50	30		EJEAHM
CCN(CC)c1ccc(C=Nc2ccc(Cl)c([N+](=O)[O-])c2)c([O-])c1	ZINC000252460095	564118651	/nfs/dbraw/zinc/11/86/51/564118651.db2.gz	BOJNTKDIXKWTAY-UHFFFAOYSA-N	-1	3	347.802	4.551	50	30		EJEAHM
O=C(/C(=C/c1ccc([O-])cc1)c1nc2ccccc2[nH]1)c1ccccc1	ZINC000003998285	210096621	/nfs/dbraw/zinc/09/66/21/210096621.db2.gz	SWSHNAWSMZANNC-JXAWBTAJSA-N	-1	3	340.382	4.692	50	30		EJEAHM
CCCN(CCC)c1ccc(/C=C2\Cc3c(cccc3[O-])C2=O)cc1	ZINC000012521583	211397982	/nfs/dbraw/zinc/39/79/82/211397982.db2.gz	QGKOCGXQXTYGJA-SAPNQHFASA-N	-1	3	335.447	4.841	50	30		EJEAHM
Clc1cccc(Cl)c1C=NN=c1[n-]c(-c2ccccc2)cs1	ZINC000004985233	210349959	/nfs/dbraw/zinc/34/99/59/210349959.db2.gz	WHRYHHCBPAPNTR-DJKKODMXSA-N	-1	3	348.258	4.985	50	30		EJEAHM
CC(C)c1ccc(C/N=C/c2cc(Br)ccc2[O-])cc1	ZINC000057411890	563935567	/nfs/dbraw/zinc/93/55/67/563935567.db2.gz	CBQAFAWPXGVILF-YBFXNURJSA-N	-1	3	332.241	4.897	50	30		EJEAHM
[O-]c1ccc(Cl)cc1/C=N/c1ccc2oc(-c3cccnc3)nc2c1	ZINC000000218799	563988758	/nfs/dbraw/zinc/98/87/58/563988758.db2.gz	GIYOASBCPDYNNG-SSDVNMTOSA-N	-1	3	349.777	4.999	50	30		EJEAHM
COC(=O)c1ccc(-c2ccc(C=Nc3cc(C)c(C)cc3[O-])o2)cc1	ZINC000252610381	564121423	/nfs/dbraw/zinc/12/14/23/564121423.db2.gz	IBLDSHUHHIREOG-UHFFFAOYSA-N	-1	3	349.386	4.806	50	30		EJEAHM
COc1cc(Br)cc(C=Nc2ccc(C)c(C)c2)c1[O-]	ZINC000252620941	564122854	/nfs/dbraw/zinc/12/28/54/564122854.db2.gz	MPONXUABFLVXFG-UHFFFAOYSA-N	-1	3	334.213	4.531	50	30		EJEAHM
Cc1sc2ncnc(N=NCc3c([O-])ccc4ccccc43)c2c1C	ZINC000252641980	564124754	/nfs/dbraw/zinc/12/47/54/564124754.db2.gz	ZHLIBGVCPIYWGR-UHFFFAOYSA-N	-1	3	348.431	4.613	50	30		EJEAHM
O=C(Nc1ccc(/N=C/c2ccccc2[O-])cc1Cl)c1ccco1	ZINC000102417326	219201644	/nfs/dbraw/zinc/20/16/44/219201644.db2.gz	FQWCLEQSKBWMCQ-RGVLZGJSSA-N	-1	3	340.766	4.642	50	30		EJEAHM
O=C(Nc1ccc(F)cc1)c1ccccc1/N=C/c1ccccc1[O-]	ZINC000000067161	209398816	/nfs/dbraw/zinc/39/88/16/209398816.db2.gz	AXDLEVVNGKYCON-LPYMAVHISA-N	-1	3	334.350	4.534	50	30		EJEAHM
COc1ccc(/N=C/c2cc(Br)ccc2[O-])cc1Cl	ZINC000000058405	209394486	/nfs/dbraw/zinc/39/44/86/209394486.db2.gz	BATWUKVVGIRFCM-CAOOACKPSA-N	-1	3	340.604	4.567	50	30		EJEAHM
[O-]c1ccccc1/C=N/c1cc(-c2ccccc2)nn1-c1ccccc1	ZINC000009553404	211101629	/nfs/dbraw/zinc/10/16/29/211101629.db2.gz	GCCQQTFHRWOFST-XQNSMLJCSA-N	-1	3	339.398	4.996	50	30		EJEAHM
O=[N+]([O-])c1ccc(/C(=N/[O-])N(C2CCCCC2)C2CCCCC2)cc1	ZINC000004991738	563517831	/nfs/dbraw/zinc/51/78/31/563517831.db2.gz	FLOLJUDEJGJPFB-VXPUYCOJSA-N	-1	3	345.443	4.698	50	30		EJEAHM
[O-]c1ccc(Br)cc1/C=N/c1ccc(F)cc1Cl	ZINC000044835842	563926697	/nfs/dbraw/zinc/92/66/97/563926697.db2.gz	JYLRSAHSLXCAHM-REZTVBANSA-N	-1	3	328.568	4.698	50	30		EJEAHM
C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1cccc([O-])c1	ZINC000254287794	563950430	/nfs/dbraw/zinc/95/04/30/563950430.db2.gz	AUANPDRAXNBDPG-UHFFFAOYSA-N	-1	3	342.851	4.994	50	30		EJEAHM
Cc1ccc(-c2nc3ncccc3o2)cc1/N=C/c1ccccc1[O-]	ZINC000000510267	564020084	/nfs/dbraw/zinc/02/00/84/564020084.db2.gz	OPRBEUHVCMBMCC-WSDLNYQXSA-N	-1	3	329.359	4.654	50	30		EJEAHM
CCC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=O)C(F)(F)F)sc2C1	ZINC000002749088	564054536	/nfs/dbraw/zinc/05/45/36/564054536.db2.gz	HSNQGAACGGYDRH-VIFPVBQESA-N	-1	3	344.402	4.662	50	30		EJEAHM
C(=N\c1nc2ccccc2[nH]1)\c1nc(-c2ccco2)c(-c2ccco2)[n-]1	ZINC000004552190	564076025	/nfs/dbraw/zinc/07/60/25/564076025.db2.gz	FWGJLXLNPFWZNS-JAIQZWGSSA-N	-1	3	343.346	4.557	50	30		EJEAHM
CCn1c2cc(C)c(C)cc2nc1N=Cc1cc(Cl)ccc1[O-]	ZINC000252633815	564124486	/nfs/dbraw/zinc/12/44/86/564124486.db2.gz	WGWADRDRPIJSPJ-UHFFFAOYSA-N	-1	3	327.815	4.783	50	30		EJEAHM
Cc1sc([N-]C(=O)c2cc(Cl)sc2Cl)c(C#N)c1C	ZINC000004570346	210223770	/nfs/dbraw/zinc/22/37/70/210223770.db2.gz	VYRBFJOZAZIBAB-UHFFFAOYSA-N	-1	3	331.249	4.857	50	30		EJEAHM
COc1cc(Br)cc(/C=N\c2cccc(Cl)c2)c1[O-]	ZINC000100318834	219096856	/nfs/dbraw/zinc/09/68/56/219096856.db2.gz	ZFGDUQUWBSTUBM-IUXPMGMMSA-N	-1	3	340.604	4.567	50	30		EJEAHM
O=C1c2ccccc2S/C1=C1\[N-]c2ccc3ccccc3c2C1=O	ZINC000100573292	219101824	/nfs/dbraw/zinc/10/18/24/219101824.db2.gz	FVFUZHQCLPLHOF-JZJYNLBNSA-N	-1	3	329.380	4.648	50	30		EJEAHM
C=CCC1=C([O-])C(=C2Sc3ccccc3N2CC)SC1=S	ZINC000101196446	219118607	/nfs/dbraw/zinc/11/86/07/219118607.db2.gz	UPCZEHCWRAYRMR-ZEIZSXSISA-N	-1	3	333.503	4.623	50	30		EJEAHM
[O-]c1ccc(Cl)cc1/C=N\N=C1c2ccccc2-c2ccccc21	ZINC000013513027	563926666	/nfs/dbraw/zinc/92/66/66/563926666.db2.gz	GSDHGVOQOPPMQU-UUYOSTAYSA-N	-1	3	332.790	4.898	50	30		EJEAHM
CN(C)c1ccc(/N=C/c2c3c(ccc2[O-])oc2c3CCCC2)cc1	ZINC000000502483	564019130	/nfs/dbraw/zinc/01/91/30/564019130.db2.gz	ZXZQTARWSNFUBH-LPYMAVHISA-N	-1	3	334.419	4.834	50	30		EJEAHM
C=C(C)CS[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1	ZINC000012975273	564073711	/nfs/dbraw/zinc/07/37/11/564073711.db2.gz	LAFNOXHJBCBYRI-SNVBAGLBSA-N	-1	3	332.450	4.615	50	30		EJEAHM
CCN(CC)c1ccc(N=Cc2ccc(N(CC)CC)cc2[O-])cc1	ZINC000252461237	564118716	/nfs/dbraw/zinc/11/87/16/564118716.db2.gz	LNYQEQXQKKKFCI-UHFFFAOYSA-N	-1	3	339.483	4.835	50	30		EJEAHM
[O-]c1ccc(Br)cc1/C=N/Cc1ccc(F)c(Cl)c1	ZINC000057411939	564154028	/nfs/dbraw/zinc/15/40/28/564154028.db2.gz	PNVHOSYIROTABJ-QGMBQPNBSA-N	-1	3	342.595	4.566	50	30		EJEAHM