smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CCc1cn(Cc2ccccc2)c2ccccc12)Nc1n[n-]c(C(F)(F)F)n1	ZINC000001074163	560555749	/nfs/dbraw/zinc/55/57/49/560555749.db2.gz	SSRBMFHIEGZLHP-UHFFFAOYSA-N	-1	1	413.403	5.047	40	30		HKEBMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccc(O)c2)cc1	ZINC000001440187	557263532	/nfs/dbraw/zinc/26/35/32/557263532.db2.gz	BHTBXWLCMFOIHB-NRFANRHFSA-N	-1	1	419.864	5.137	40	30		HKEBMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccc(O)c2)cc1	ZINC000001440188	557263565	/nfs/dbraw/zinc/26/35/65/557263565.db2.gz	BHTBXWLCMFOIHB-OAQYLSRUSA-N	-1	1	419.864	5.137	40	30		HKEBMM
N#Cc1c(/N=C/c2cc(Br)ccc2[O-])oc(-c2ccco2)c1-c1ccco1	ZINC000001512965	560728501	/nfs/dbraw/zinc/72/85/01/560728501.db2.gz	WHSKGHMSTGMVFU-FOKLQQMPSA-N	-1	1	423.222	5.890	40	30		HKEBMM
Cc1ccccc1-c1nc2cc(/N=C/c3c([O-])ccc4cc([N+](=O)[O-])ccc43)ccc2o1	ZINC000001884282	560583491	/nfs/dbraw/zinc/58/34/91/560583491.db2.gz	HPZZLCGZLXZTLG-VULFUBBASA-N	-1	1	423.428	6.321	40	30		HKEBMM
O=C(NCCC1=CCCCC1)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000002938449	557428542	/nfs/dbraw/zinc/42/85/42/557428542.db2.gz	VJUFXXDYNXRAAY-UHFFFAOYSA-N	-1	1	418.946	5.336	40	30		HKEBMM
O=[N+]([O-])c1cccc(/C=C/C=N/c2ccc(-c3nc4ccccc4s3)c([O-])c2)c1	ZINC000003025733	568841436	/nfs/dbraw/zinc/84/14/36/568841436.db2.gz	IZNXCMGMEQITKU-KUZNRIHWSA-N	-1	1	401.447	5.993	40	30		HKEBMM
Cc1cc(Br)c([O-])c(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)c1	ZINC000003060149	568852091	/nfs/dbraw/zinc/85/20/91/568852091.db2.gz	DSBZQBUDKDACKG-FSJBWODESA-N	-1	1	423.335	6.490	40	30		HKEBMM
Cc1ccc2nc(-c3ccc(/N=C/C=C/c4ccc(Cl)cc4Cl)cc3[O-])oc2c1	ZINC000003066468	568853402	/nfs/dbraw/zinc/85/34/02/568853402.db2.gz	FNRKSOLOUOBCHX-QWMUYQDTSA-N	-1	1	423.299	7.231	40	30		HKEBMM
Cc1cc(Br)c([O-])c(/C=N/c2cccc(-c3nc4ccccc4o3)c2)c1	ZINC000003087615	568854566	/nfs/dbraw/zinc/85/45/66/568854566.db2.gz	JJVYCDGYBJOCCE-FSJBWODESA-N	-1	1	407.267	6.022	40	30		HKEBMM
Cc1ccc(-c2nc3cc(/N=C/c4c([O-])ccc5cc([N+](=O)[O-])ccc54)ccc3o2)cc1	ZINC000003139407	560725339	/nfs/dbraw/zinc/72/53/39/560725339.db2.gz	NGVHOSZWKQUGAR-VULFUBBASA-N	-1	1	423.428	6.321	40	30		HKEBMM
O=[N+]([O-])c1ccc(/C=C/C=N/c2ccc(-c3nc4ccccc4s3)c([O-])c2)cc1	ZINC000003150194	568858356	/nfs/dbraw/zinc/85/83/56/568858356.db2.gz	UVMZUGPWZSCDQK-OEFJELFNSA-N	-1	1	401.447	5.993	40	30		HKEBMM
Cc1ccc2nc(-c3cccc(/N=C/c4c([O-])ccc5cc([N+](=O)[O-])ccc54)c3)oc2c1	ZINC000003190943	560588744	/nfs/dbraw/zinc/58/87/44/560588744.db2.gz	GOZDQSKWPJIIPC-VULFUBBASA-N	-1	1	423.428	6.321	40	30		HKEBMM
Cc1cc2nc(-c3cc(/N=C/C=C\c4ccccc4[N+](=O)[O-])ccc3[O-])oc2c(C)c1	ZINC000005005911	560620665	/nfs/dbraw/zinc/62/06/65/560620665.db2.gz	RQMQLZTWYYQCKQ-CLFCUDMKSA-N	-1	1	413.433	6.141	40	30		HKEBMM
C=C(C)[C@@H](CC=C(C)C)Cc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2O)c1[O-]	ZINC000005222872	568442806	/nfs/dbraw/zinc/44/28/06/568442806.db2.gz	BGZLDYWPLZVXDX-MZEUMTGBSA-N	-1	1	408.494	5.496	40	30		HKEBMM
C=C(C)[C@H](CC=C(C)C)Cc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2O)c1[O-]	ZINC000005222883	568442765	/nfs/dbraw/zinc/44/27/65/568442765.db2.gz	BGZLDYWPLZVXDX-VEGGFIAOSA-N	-1	1	408.494	5.496	40	30		HKEBMM
O=C1c2ccc(Br)cc2C(=O)C(C(c2ccccc2)c2ccccc2)=C1[O-]	ZINC000005479633	557656303	/nfs/dbraw/zinc/65/63/03/557656303.db2.gz	CKLVCECUVUGTGQ-UHFFFAOYSA-N	-1	1	419.274	5.472	40	30		HKEBMM
Cc1cc2nc(-c3cc(/N=C/C=C\c4cccc([N+](=O)[O-])c4)ccc3[O-])oc2c(C)c1	ZINC000005538950	557660322	/nfs/dbraw/zinc/66/03/22/557660322.db2.gz	WFXIICJUABXDRJ-AKNWXVQLSA-N	-1	1	413.433	6.141	40	30		HKEBMM
O=[N+]([O-])c1ccc(N=NCc2cc(C3CCCCC3)cc(Cl)c2[O-])c([N+](=O)[O-])c1	ZINC000005749641	557672764	/nfs/dbraw/zinc/67/27/64/557672764.db2.gz	MSRKKZYBFWULKN-SRZZPIQSSA-N	-1	1	418.837	5.356	40	30		HKEBMM
Cc1cc(Cl)c([O-])c(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1	ZINC000005959479	557682605	/nfs/dbraw/zinc/68/26/05/557682605.db2.gz	YLBPLNNWJXQHMB-LGJNPRDNSA-N	-1	1	418.880	6.412	40	30		HKEBMM
CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(C)cc(Br)c2[O-])c1	ZINC000006263819	560740645	/nfs/dbraw/zinc/74/06/45/560740645.db2.gz	HKMQGCOVYXWMND-UFFVCSGVSA-N	-1	1	409.711	5.606	40	30		HKEBMM
O=c1[nH]c2ccc(/N=C/c3cc(Cc4ccccc4Cl)cc(Cl)c3[O-])cc2[nH]1	ZINC000006402699	557701312	/nfs/dbraw/zinc/70/13/12/557701312.db2.gz	MHKIWANVKPWFME-BHGWPJFGSA-N	-1	1	412.276	5.210	40	30		HKEBMM
CC[C@@H](C)c1ccccc1/N=C/c1cc(Cc2ccccc2)cc(Br)c1[O-]	ZINC000006440235	569361904	/nfs/dbraw/zinc/36/19/04/569361904.db2.gz	QKLPGJPAOTUOEF-MOROIOLQSA-N	-1	1	422.366	7.010	40	30		HKEBMM
CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(C)cc(Cl)c4[O-])cc3)nc2c1	ZINC000006449716	560742255	/nfs/dbraw/zinc/74/22/55/560742255.db2.gz	BTTAQVXVLGEABH-JZNDDVEWSA-N	-1	1	418.924	7.426	40	30		HKEBMM
CC[C@H](C)c1ccccc1/N=C/c1cc(Cc2ccccc2)cc(Br)c1[O-]	ZINC000006449783	569361855	/nfs/dbraw/zinc/36/18/55/569361855.db2.gz	QKLPGJPAOTUOEF-GNYKCMPYSA-N	-1	1	422.366	7.010	40	30		HKEBMM
[O-]c1c(Br)cc(Cc2ccccc2)cc1/C=N/C12CC3CC(CC(C3)C1)C2	ZINC000006529739	560743995	/nfs/dbraw/zinc/74/39/95/560743995.db2.gz	XPERWGBRJPTPOX-CVKSISIWSA-N	-1	1	424.382	6.133	40	30		HKEBMM
CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(C)cc(Cl)c4[O-])c3)nc2c1	ZINC000006554901	569361868	/nfs/dbraw/zinc/36/18/68/569361868.db2.gz	KIOJDAIOKFSHFG-NKZWWHGNSA-N	-1	1	418.924	7.426	40	30		HKEBMM
CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(C)cc(Cl)c4[O-])c3)nc2c1	ZINC000006555319	569362091	/nfs/dbraw/zinc/36/20/91/569362091.db2.gz	KIOJDAIOKFSHFG-JZNDDVEWSA-N	-1	1	418.924	7.426	40	30		HKEBMM
Cc1cc(Br)c([O-])c(/C=N/c2cccc(-c3nc4ccccc4[nH]3)c2)c1	ZINC000006694225	557715529	/nfs/dbraw/zinc/71/55/29/557715529.db2.gz	GBZNZMQSANAGRE-FSJBWODESA-N	-1	1	406.283	5.757	40	30		HKEBMM
O=[N+]([O-])c1cc(Cl)cc(C=Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)c1[O-]	ZINC000006694547	557715465	/nfs/dbraw/zinc/71/54/65/557715465.db2.gz	BNQHIUOACVXDJW-AUEPDCJTSA-N	-1	1	410.792	5.387	40	30		HKEBMM
CCCCc1ccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2[O-])cc1	ZINC000006757153	557719463	/nfs/dbraw/zinc/71/94/63/557719463.db2.gz	OGGOZALJJXPGLI-YZSQISJMSA-N	-1	1	422.366	6.839	40	30		HKEBMM
COc1cc(C=Nn2c(C)n[n-]c2=S)ccc1OCc1ccc(Cl)c(Cl)c1	ZINC000008790693	560756732	/nfs/dbraw/zinc/75/67/32/560756732.db2.gz	HDLQJIFKISCWCX-ZVBGSRNCSA-N	-1	1	423.325	5.026	40	30		HKEBMM
COc1ccc(-c2oc(/N=C/c3cccc([O-])c3)c(C#N)c2-c2ccc(OC)cc2)cc1	ZINC000014408591	560845680	/nfs/dbraw/zinc/84/56/80/560845680.db2.gz	MAEKOWCMTGSLHV-LQKURTRISA-N	-1	1	424.456	5.959	40	30		HKEBMM
Cc1cc2nc(-c3cc(/N=C\c4cccc([N+](=O)[O-])c4[O-])ccc3O)oc2cc1C	ZINC000014920102	558679356	/nfs/dbraw/zinc/67/93/56/558679356.db2.gz	SYJQMDFRFMFLEG-KSEXSDGBSA-N	-1	1	403.394	5.182	40	30		HKEBMM
O=C1/C(=C\c2ccc([O-])c(Cl)c2)S/C(=N\c2ccccc2)N1c1ccccc1	ZINC000015013312	558701028	/nfs/dbraw/zinc/70/10/28/558701028.db2.gz	MQPOZVHOZMNSBU-NVTWWLNUSA-N	-1	1	406.894	5.854	40	30		HKEBMM
CC(=O)Nc1cccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2[O-])c1	ZINC000016321517	558786197	/nfs/dbraw/zinc/78/61/97/558786197.db2.gz	APCKNDBZZFVZER-ZVHZXABRSA-N	-1	1	423.310	5.455	40	30		HKEBMM
O=C([O-])CSc1nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3O)cc2s1	ZINC000016431006	558791138	/nfs/dbraw/zinc/79/11/38/558791138.db2.gz	NHOFZXZKLLXECQ-KPSZGOFPSA-N	-1	1	413.307	5.236	40	30		HKEBMM
[O-]c1c(Cl)cc(Cc2ccccc2)cc1/C=N/c1ccc(N2CCOCC2)cc1	ZINC000016480943	558794038	/nfs/dbraw/zinc/79/40/38/558794038.db2.gz	HCOJDAAFQZUGME-YZSQISJMSA-N	-1	1	406.913	5.224	40	30		HKEBMM
CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(C)cc(Cl)c4[O-])cc3)nc2c1	ZINC000017091713	560866336	/nfs/dbraw/zinc/86/63/36/560866336.db2.gz	BTTAQVXVLGEABH-NKZWWHGNSA-N	-1	1	418.924	7.426	40	30		HKEBMM
Cc1cc(=O)[n-]c(NN=Cc2c3ccccc3n(-c3ccccc3)c2-c2ccccc2)n1	ZINC000017920201	569380696	/nfs/dbraw/zinc/38/06/96/569380696.db2.gz	SCHPQUDXJOABNN-WPWMEQJKSA-N	-1	1	419.488	5.135	40	30		HKEBMM
[O-]c1ccc(Br)cc1/N=C\c1ccc2oc(-c3ccccc3F)nc2c1	ZINC000017952646	558828924	/nfs/dbraw/zinc/82/89/24/558828924.db2.gz	BGOTWCGRNBNRLI-KSEXSDGBSA-N	-1	1	411.230	5.853	40	30		HKEBMM
Cc1cc(C)c(CSc2nnc(NN=Cc3cccc(Cl)c3Cl)[n-]2)c(C)c1	ZINC000020344384	558356311	/nfs/dbraw/zinc/35/63/11/558356311.db2.gz	KUSFRLHDDCGUTB-LSFURLLWSA-N	-1	1	420.369	5.775	40	30		HKEBMM
Clc1ccc(C=NNc2nnc(SCc3ccc(Cl)c(Cl)c3)[n-]2)cc1	ZINC000020457372	558370534	/nfs/dbraw/zinc/37/05/34/558370534.db2.gz	JGEQVSIGCIMROJ-DNTJNYDQSA-N	-1	1	412.733	5.503	40	30		HKEBMM
CCCCCCc1cc2cc(/C(C)=N/Nc3ccc([N+](=O)[O-])cc3)c(=O)oc2cc1[O-]	ZINC000021487040	520136604	/nfs/dbraw/zinc/13/66/04/520136604.db2.gz	QISSZUNXYNUSEQ-BUVRLJJBSA-N	-1	1	423.469	5.366	40	30		HKEBMM
CCCCC(=O)Nc1ccc(/N=C/c2cc(C)cc(Br)c2[O-])cc1OC	ZINC000032115093	519914313	/nfs/dbraw/zinc/91/43/13/519914313.db2.gz	FWRAFZSWBVWVTI-WSDLNYQXSA-N	-1	1	419.319	5.351	40	30		HKEBMM
CCCCCCCCCCCCCCCCCCNC=C1C(=O)[N-]C(=S)NC1=O	ZINC000033354668	519997308	/nfs/dbraw/zinc/99/73/08/519997308.db2.gz	SOWGMLVBBPPTEU-UHFFFAOYSA-N	-1	1	423.667	5.252	40	30		HKEBMM
Cc1ccc2oc(-c3cc(/N=C\c4cc([N+](=O)[O-])cc(C)c4[O-])ccc3O)nc2c1	ZINC000035183095	524085593	/nfs/dbraw/zinc/08/55/93/524085593.db2.gz	JVAHNSZGGMUUGU-KSEXSDGBSA-N	-1	1	403.394	5.182	40	30		HKEBMM
Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc([O-])c(Br)c2)S1	ZINC000059224276	568702838	/nfs/dbraw/zinc/70/28/38/568702838.db2.gz	USWRWFVMZCEQEG-CHHVJCJISA-N	-1	1	423.719	5.008	40	30		HKEBMM
COc1ccccc1N1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1	ZINC000066091542	558983548	/nfs/dbraw/zinc/98/35/48/558983548.db2.gz	WYADXOBMBDFRDY-OAQYLSRUSA-N	-1	1	419.864	5.132	40	30		HKEBMM
COc1ccccc1N1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1	ZINC000066091543	558983592	/nfs/dbraw/zinc/98/35/92/558983592.db2.gz	WYADXOBMBDFRDY-NRFANRHFSA-N	-1	1	419.864	5.132	40	30		HKEBMM
O=C(c1ccccc1)c1ccc(/N=C/c2ccccc2[O-])c(/N=C/c2ccccc2O)c1	ZINC000068602862	558863865	/nfs/dbraw/zinc/86/38/65/558863865.db2.gz	OLZPXPOGHKUMDZ-POAOKBCDSA-N	-1	1	420.468	5.830	40	30		HKEBMM
CCCCCCCCCCCCCCCCc1c(=O)[n-]c(=S)[nH]c1C(=O)OC	ZINC000073293310	558986150	/nfs/dbraw/zinc/98/61/50/558986150.db2.gz	DXEKVIVVAIASET-UHFFFAOYSA-N	-1	1	410.624	6.655	40	30		HKEBMM
CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nccs2)cc1	ZINC000085409760	559056848	/nfs/dbraw/zinc/05/68/48/559056848.db2.gz	ZHDRTMLJWBXZSE-QGZVFWFLSA-N	-1	1	424.547	5.285	40	30		HKEBMM
CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nccs2)cc1	ZINC000085409761	559056876	/nfs/dbraw/zinc/05/68/76/559056876.db2.gz	ZHDRTMLJWBXZSE-KRWDZBQOSA-N	-1	1	424.547	5.285	40	30		HKEBMM
CC(C)c1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nccs2)cc1	ZINC000085409803	559056863	/nfs/dbraw/zinc/05/68/63/559056863.db2.gz	GPHILZMMUVVYSM-QGZVFWFLSA-N	-1	1	410.520	5.111	40	30		HKEBMM
CC(C)c1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nccs2)cc1	ZINC000085409805	559056838	/nfs/dbraw/zinc/05/68/38/559056838.db2.gz	GPHILZMMUVVYSM-KRWDZBQOSA-N	-1	1	410.520	5.111	40	30		HKEBMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(O)cc3)[C@@H]2c2ccccc2Cl)cc1	ZINC000095101288	568934559	/nfs/dbraw/zinc/93/45/59/568934559.db2.gz	YTLXPZNDBUFFCR-OAQYLSRUSA-N	-1	1	419.864	5.137	40	30		HKEBMM
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(O)cc3)[C@H]2c2ccccc2Cl)cc1	ZINC000095101289	568934523	/nfs/dbraw/zinc/93/45/23/568934523.db2.gz	YTLXPZNDBUFFCR-NRFANRHFSA-N	-1	1	419.864	5.137	40	30		HKEBMM
CCCCCCCCCCCCCCCCCc1cc(=O)oc2cc([O-])ccc12	ZINC000095696903	559087962	/nfs/dbraw/zinc/08/79/62/559087962.db2.gz	WYDKAGRKLLDCSY-UHFFFAOYSA-N	-1	1	400.603	7.913	40	30		HKEBMM
C=CCN1C(=O)C(=Cc2ccc(Sc3ccc(Cl)cc3)s2)C(=O)[N-]C1=S	ZINC000096477492	568721788	/nfs/dbraw/zinc/72/17/88/568721788.db2.gz	ZIOSTZATYYMAIS-UVTDQMKNSA-N	-1	1	420.968	5.206	40	30		HKEBMM
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000100071639	559123012	/nfs/dbraw/zinc/12/30/12/559123012.db2.gz	FGJOQQQRZNFKBP-QFIPXVFZSA-N	-1	1	421.626	5.783	40	30		HKEBMM
O=C1/C(=C\c2ccc([O-])c(Cl)c2)S/C(=N\c2ccccc2)N1Cc1ccco1	ZINC000100370789	559134609	/nfs/dbraw/zinc/13/46/09/559134609.db2.gz	WZQDFNLYQGAXDD-CRUFNBOHSA-N	-1	1	410.882	5.443	40	30		HKEBMM
CCCCCCCCCCCCCCCCCC(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000100559669	560725257	/nfs/dbraw/zinc/72/52/57/560725257.db2.gz	FGJOQQQRZNFKBP-JOCHJYFZSA-N	-1	1	421.626	5.783	40	30		HKEBMM
CCCCCCCCCCCCS(=O)(=O)[N-]c1cc(-c2ccccc2)ccc1O	ZINC000100922124	559141781	/nfs/dbraw/zinc/14/17/81/559141781.db2.gz	MKSOYTLDCKKZOE-UHFFFAOYSA-N	-1	1	417.615	6.722	40	30		HKEBMM
CCCCCCCCC/C(=N\[O-])c1ccc(OCC(=O)N2CCCCC2)cc1O	ZINC000100930229	559141921	/nfs/dbraw/zinc/14/19/21/559141921.db2.gz	UHBDBYIWRYGJBU-DARPEHSRSA-N	-1	1	404.551	5.103	40	30		HKEBMM
CCCCCCCCCCCCOc1ccc(/C(Cc2ccccc2)=N/[O-])c(O)c1	ZINC000100933913	559141999	/nfs/dbraw/zinc/14/19/99/559141999.db2.gz	ZFQPAWPHYVDOAN-IMVLJIQESA-N	-1	1	411.586	7.113	40	30		HKEBMM
CCCCCCCCS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1	ZINC000100959456	559142296	/nfs/dbraw/zinc/14/22/96/559142296.db2.gz	WNGPZKMJAGDIDT-UHFFFAOYSA-N	-1	1	407.963	5.673	40	30		HKEBMM
CCCCCCCCCCc1c(C)nc(Nc2nc(C)c3ccccc3n2)[n-]c1=O	ZINC000102241471	559149649	/nfs/dbraw/zinc/14/96/49/559149649.db2.gz	FWIUMJHHSRVLFX-UHFFFAOYSA-N	-1	1	407.562	5.757	40	30		HKEBMM
CCCCCCCCCCc1c(C)nc(Nc2nc(C)c3ccc(C)cc3n2)[n-]c1=O	ZINC000102241482	559149689	/nfs/dbraw/zinc/14/96/89/559149689.db2.gz	ZCCFAKDSHUTFAH-UHFFFAOYSA-N	-1	1	421.589	6.065	40	30		HKEBMM
CCCCCCCCCCCCCCCc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]1	ZINC000104140702	559158442	/nfs/dbraw/zinc/15/84/42/559158442.db2.gz	BTLOZVJCHCNZHK-UHFFFAOYSA-N	-1	1	415.578	7.169	40	30		HKEBMM
CCCCCCCCCCCCCCCCCC[N-]C(=S)SCCCC	ZINC000104161642	559158626	/nfs/dbraw/zinc/15/86/26/559158626.db2.gz	WYPDGUHQYFFJDN-UHFFFAOYSA-N	-1	1	401.770	8.656	40	30		HKEBMM
CCCCCCCCOc1c(Cl)cc(C=C2SC(=S)[N-]C2=O)cc1Cl	ZINC000105525974	568489794	/nfs/dbraw/zinc/48/97/94/568489794.db2.gz	WOEAJFKYRBJPCN-RVDMUPIBSA-N	-1	1	418.411	6.222	40	30		HKEBMM
Cc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])c(C)n1-c1c(C)cccc1C	ZINC000108974942	569362984	/nfs/dbraw/zinc/36/29/84/569362984.db2.gz	QSJPNKFTBWQZKS-UPKWEHEMSA-N	-1	1	407.564	5.585	40	30		HKEBMM
CCCCCCCCCC[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl	ZINC000112189589	568442997	/nfs/dbraw/zinc/44/29/97/568442997.db2.gz	FTKVFBDYSOIVMX-UHFFFAOYSA-N	-1	1	400.799	6.066	40	30		HKEBMM
Cc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])c(C)n1-c1c(C)cccc1C	ZINC000135978447	559288976	/nfs/dbraw/zinc/28/89/76/559288976.db2.gz	QSJPNKFTBWQZKS-KBYDQAQISA-N	-1	1	407.564	5.585	40	30		HKEBMM
C=CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000224564333	559246597	/nfs/dbraw/zinc/24/65/97/559246597.db2.gz	FZSMKLOLVOKLNP-UHFFFAOYSA-N	-1	1	424.547	5.018	40	30		HKEBMM
CCOc1cc(/C=N\[O-])cc(Br)c1OC(=O)c1cccc2ccccc21	ZINC000226364847	568807446	/nfs/dbraw/zinc/80/74/46/568807446.db2.gz	ZCLYBVXTYOYCCK-UUYOSTAYSA-N	-1	1	414.255	5.028	40	30		HKEBMM
COc1cc(/C=N/[O-])c(Br)cc1OCc1ccc(Cl)c(Cl)c1	ZINC000253560731	569373975	/nfs/dbraw/zinc/37/39/75/569373975.db2.gz	BEGUUGVQGFAUHU-FBCYGCLPSA-N	-1	1	405.075	5.152	40	30		HKEBMM
CCCCCCCCOc1c(Cl)cc(C=C2SC(=S)[N-]C2=O)cc1OC	ZINC000408539810	558488161	/nfs/dbraw/zinc/48/81/61/558488161.db2.gz	JVDIJFMHSOGLNF-FOWTUZBSSA-N	-1	1	413.992	5.577	40	30		HKEBMM
COC(=O)c1cccc(Cn2cc(/C=N\c3ccc(Cl)cc3[O-])c3ccccc32)c1	ZINC000408541831	558485510	/nfs/dbraw/zinc/48/55/10/558485510.db2.gz	GCHKNVHJQGNDHC-ZMFRSBBQSA-N	-1	1	418.880	5.586	40	30		HKEBMM
CC(C)Oc1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c([O-])c1	ZINC000408588099	557491589	/nfs/dbraw/zinc/49/15/89/557491589.db2.gz	HVFAZRLGBJNGDT-STBIYBPSSA-N	-1	1	422.484	6.729	40	30		HKEBMM
CCn1c2ccccc2[nH+]c1[N-]N=Cc1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1	ZINC000408692766	558565885	/nfs/dbraw/zinc/56/58/85/558565885.db2.gz	URULJDRYZXHHQD-FSJBWODESA-N	-1	1	408.845	5.114	40	30		HKEBMM
COc1ccc(-c2oc(/N=C/c3ccccc3[O-])c(C#N)c2-c2cccc(OC)c2)cc1	ZINC000408722942	558588701	/nfs/dbraw/zinc/58/87/01/558588701.db2.gz	OQTIGPCTSKNYLE-LQKURTRISA-N	-1	1	424.456	5.959	40	30		HKEBMM
Cc1cc(Br)ccc1N=C1NC(=O)/C(=C/c2ccc([O-])c(Cl)c2)S1	ZINC000408775356	560639505	/nfs/dbraw/zinc/63/95/05/560639505.db2.gz	GTRXGKUAICTUTI-NVNXTCNLSA-N	-1	1	423.719	5.008	40	30		HKEBMM
Cc1cc(/C=N\c2ccc(Cl)cc2[O-])c(C)n1-c1ccc(Br)cc1	ZINC000408785390	558640149	/nfs/dbraw/zinc/64/01/49/558640149.db2.gz	ZAUKMQZEHHVNDF-JJFYIABZSA-N	-1	1	403.707	5.966	40	30		HKEBMM
O=C1/C(=C/c2ccc([O-])c(Cl)c2)S/C(=N\c2ccccc2)N1Cc1ccccc1	ZINC000408790921	560641615	/nfs/dbraw/zinc/64/16/15/560641615.db2.gz	RZHHBSOBLURKOA-MZURAFEFSA-N	-1	1	420.921	5.850	40	30		HKEBMM
C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Br)c1[O-]	ZINC000408819379	560645247	/nfs/dbraw/zinc/64/52/47/560645247.db2.gz	RQHXPXDLXAJFBN-WJDWOHSUSA-N	-1	1	416.296	5.124	40	30		HKEBMM
Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc([O-])c(Br)c2)S1	ZINC000408861701	560648080	/nfs/dbraw/zinc/64/80/80/560648080.db2.gz	FVZSQVAXMVKRNL-NVNXTCNLSA-N	-1	1	423.719	5.008	40	30		HKEBMM
[O-]c1ccc(/C=N/c2ccc(C3CCCCC3)cc2)cc1I	ZINC000408904019	558728128	/nfs/dbraw/zinc/72/81/28/558728128.db2.gz	CJWWSFOBGMKHCO-FYJGNVAPSA-N	-1	1	405.279	5.795	40	30		HKEBMM
[O-]c1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1I	ZINC000408905199	560651817	/nfs/dbraw/zinc/65/18/17/560651817.db2.gz	VAOFORRZIMFGCI-FYJGNVAPSA-N	-1	1	414.246	5.491	40	30		HKEBMM
[O-]c1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1I	ZINC000408905436	558728416	/nfs/dbraw/zinc/72/84/16/558728416.db2.gz	YMYFNJATZASESB-KGENOOAVSA-N	-1	1	414.246	5.169	40	30		HKEBMM
Cc1ccc(Sc2oc(/C=N\c3ccc(Cl)cc3[O-])cc2Br)cc1	ZINC000408915784	560654169	/nfs/dbraw/zinc/65/41/69/560654169.db2.gz	YMBXGOKSACEZGT-FBHDLOMBSA-N	-1	1	422.731	6.611	40	30		HKEBMM
[O-]/N=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1	ZINC000409044261	560669293	/nfs/dbraw/zinc/66/92/93/560669293.db2.gz	VAFQADLRFSAWPG-CNHKJKLMSA-N	-1	1	419.500	5.252	40	30		HKEBMM
[O-]/N=C/c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1	ZINC000409046067	558897010	/nfs/dbraw/zinc/89/70/10/558897010.db2.gz	IMIXXGFPKLMEAP-CNHKJKLMSA-N	-1	1	419.500	5.252	40	30		HKEBMM
[O-]/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1Cl	ZINC000409060271	560671100	/nfs/dbraw/zinc/67/11/00/560671100.db2.gz	ZBLSYPDUHGTIBD-CNHKJKLMSA-N	-1	1	419.500	5.252	40	30		HKEBMM
O=C([O-])c1cc(-c2ccc(C=NNc3ccc(C(F)(F)F)cn3)o2)ccc1Cl	ZINC000409071939	558914159	/nfs/dbraw/zinc/91/41/59/558914159.db2.gz	SWXIFKCYPOXCCO-OPVMPGTRSA-N	-1	1	409.751	5.158	40	30		HKEBMM
C=CCc1cc(/C=N/[O-])cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000409077011	558919988	/nfs/dbraw/zinc/91/99/88/558919988.db2.gz	CJSIPYJVJYRPLW-FOKLQQMPSA-N	-1	1	410.348	5.341	40	30		HKEBMM
CCOc1cc(/C=N/[O-])cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000409081339	560673892	/nfs/dbraw/zinc/67/38/92/560673892.db2.gz	HDJDCTAGLFMXAV-ODCIPOBUSA-N	-1	1	404.728	5.266	40	30		HKEBMM
CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cc(Br)ccc3[O-])sc2C1	ZINC000409082583	560674013	/nfs/dbraw/zinc/67/40/13/560674013.db2.gz	QGWTYGCFSUQFDC-HJQVIKLGSA-N	-1	1	417.372	5.989	40	30		HKEBMM
CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3cc(Br)ccc3[O-])sc2C1	ZINC000409082588	560673997	/nfs/dbraw/zinc/67/39/97/560673997.db2.gz	QGWTYGCFSUQFDC-HKNSOBRKSA-N	-1	1	417.372	5.989	40	30		HKEBMM
CCCN1C(=O)/C(=C/c2ccc([O-])c(Cl)c2)S/C1=N/c1ccc(Cl)cc1	ZINC000409089818	560675180	/nfs/dbraw/zinc/67/51/80/560675180.db2.gz	KJJKLFWTVGFKCY-PBVZKUNTSA-N	-1	1	407.322	5.713	40	30		HKEBMM
CC(C)CN1C(=O)/C(=C/c2ccc([O-])c(Cl)c2)S/C1=N/c1ccc(Cl)cc1	ZINC000409090260	558930273	/nfs/dbraw/zinc/93/02/73/558930273.db2.gz	LUFDWPPPYIVSOO-PDIQUHFFSA-N	-1	1	421.349	5.959	40	30		HKEBMM
O=C([O-])c1ccc(Cl)c(-c2ccc(C=NNc3ccc(C(F)(F)F)cn3)o2)c1	ZINC000409094679	558931070	/nfs/dbraw/zinc/93/10/70/558931070.db2.gz	GAEBYRMOFWTARF-PGGKNCGUSA-N	-1	1	409.751	5.158	40	30		HKEBMM
O=C([O-])c1ccc(-c2ccc(C=NNc3ccc(C(F)(F)F)cn3)o2)cc1Cl	ZINC000409097496	560676038	/nfs/dbraw/zinc/67/60/38/560676038.db2.gz	NXNAMANQENGVSM-PGGKNCGUSA-N	-1	1	409.751	5.158	40	30		HKEBMM
CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Br)c1[O-]	ZINC000409199137	559016891	/nfs/dbraw/zinc/01/68/91/559016891.db2.gz	BIDXXICOTKXENL-OEAKJJBVSA-N	-1	1	412.283	6.096	40	30		HKEBMM
O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1ccc([O-])c(Cl)c1	ZINC000409281912	559052289	/nfs/dbraw/zinc/05/22/89/559052289.db2.gz	NKWWVGLTDHZZMM-UHFFFAOYSA-N	-1	1	415.836	5.051	40	30		HKEBMM
Cc1ccc(-c2oc(/N=C/c3ccc(O)cc3[O-])c(C#N)c2-c2ccc(C)cc2)cc1	ZINC000409348852	559066901	/nfs/dbraw/zinc/06/69/01/559066901.db2.gz	PQTPKHLCWMTSKV-RWPZCVJISA-N	-1	1	408.457	6.264	40	30		HKEBMM
COc1cc(/C=N/[O-])c(Br)cc1OCc1ccc(Cl)cc1Cl	ZINC000409370290	560716697	/nfs/dbraw/zinc/71/66/97/560716697.db2.gz	OERHDYGAVOAYMS-FBCYGCLPSA-N	-1	1	405.075	5.152	40	30		HKEBMM
CC(C)Oc1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c([O-])c1	ZINC000409378682	559070711	/nfs/dbraw/zinc/07/07/11/559070711.db2.gz	RNAHNOLHFJQHBG-DHRITJCHSA-N	-1	1	402.406	5.915	40	30		HKEBMM
Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccc(Cl)cc3[O-])c2)cc1C	ZINC000409380139	560718581	/nfs/dbraw/zinc/71/85/81/560718581.db2.gz	IYJZFEFZUFJNCU-MXAYSNPKSA-N	-1	1	408.885	5.431	40	30		HKEBMM
COC(=O)c1ccc(Cn2cc(/C=N\c3ccc(Cl)cc3[O-])c3ccccc32)o1	ZINC000409392459	559072914	/nfs/dbraw/zinc/07/29/14/559072914.db2.gz	MRYBUJQYTCKOAJ-MYKKPKGFSA-N	-1	1	408.841	5.179	40	30		HKEBMM