smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccc(Br)cc1/C=N\c1ccc2c(c1)OCO2	ZINC000102047652	193856598	/nfs/dbraw/zinc/85/65/98/193856598.db2.gz	FVGCOJWXUJZJRX-APSNUPSMSA-N	-1	3	320.142	3.634	40	30		DHEBHM
COc1ccc(/N=C\c2cc(Br)ccc2[O-])cc1	ZINC000100349650	563549746	/nfs/dbraw/zinc/54/97/46/563549746.db2.gz	TYBHINZUFBWUMY-SXGWCWSVSA-N	-1	3	306.159	3.914	40	30		DHEBHM
N#Cc1cccc(N/C=C(\[O-])c2cc3ccccc3oc2=O)c1	ZINC000101174671	563596512	/nfs/dbraw/zinc/59/65/12/563596512.db2.gz	DBAFLBQZUOGGDA-WJDWOHSUSA-N	-1	3	304.305	3.633	40	30		DHEBHM
COc1cc(/C=N/[O-])cc(Cl)c1OCc1ccccc1C#N	ZINC000006380906	563716629	/nfs/dbraw/zinc/71/66/29/563716629.db2.gz	NUTLLXNATGHQJT-DJKKODMXSA-N	-1	3	316.744	3.607	40	30		DHEBHM
COc1ccccc1-c1cc(-c2ccc([O-])cc2)nc(N)c1C#N	ZINC000013126433	563929344	/nfs/dbraw/zinc/92/93/44/563929344.db2.gz	GKWVVVFFRZMMSC-UHFFFAOYSA-N	-1	3	317.348	3.584	40	30		DHEBHM
C=CCc1cc(/C=N/[O-])cc(OC)c1OCc1cccc(F)c1	ZINC000409073054	257223726	/nfs/dbraw/zinc/22/37/26/257223726.db2.gz	OOBLFTMSBZUKFA-RGVLZGJSSA-N	-1	3	315.344	3.950	40	30		DHEBHM
[S-]C(=Nc1ccccc1)NN=Cc1ccc(Br)o1	ZINC000004468001	563924517	/nfs/dbraw/zinc/92/45/17/563924517.db2.gz	YYPMOOXVCSUNSA-ZSOIEALJSA-N	-1	3	324.203	3.774	40	30		DHEBHM
C[C@H]1CCc2c(C#N)c(/N=C/c3ccc(O)cc3[O-])sc2C1	ZINC000000295578	563607680	/nfs/dbraw/zinc/60/76/80/563607680.db2.gz	YESVUVWJYSJFBY-XPAGJJBOSA-N	-1	3	312.394	3.906	40	30		DHEBHM
C[C@H]1CCc2c(C#N)c(/N=C/c3ccc([O-])cc3O)sc2C1	ZINC000000295578	563607683	/nfs/dbraw/zinc/60/76/83/563607683.db2.gz	YESVUVWJYSJFBY-XPAGJJBOSA-N	-1	3	312.394	3.906	40	30		DHEBHM
COc1cc(Br)cc(/C=N/c2ccccc2)c1[O-]	ZINC000013397511	563929566	/nfs/dbraw/zinc/92/95/66/563929566.db2.gz	ATCUYZPXIHPUEG-CXUHLZMHSA-N	-1	3	306.159	3.914	40	30		DHEBHM
CCN(CC)c1ccc(C=[NH+][N-]c2ccc(F)cc2)c([O-])c1	ZINC000004869450	181166297	/nfs/dbraw/zinc/16/62/97/181166297.db2.gz	ILSDMALTWJPPLU-XDHOZWIPSA-N	-1	3	301.365	3.824	40	30		DHEBHM
[O-]c1ccccc1C(=NNc1ccccc1)c1ccccc1O	ZINC000004962613	181179994	/nfs/dbraw/zinc/17/99/94/181179994.db2.gz	YZUKVOKQRHDWBG-UHFFFAOYSA-N	-1	3	304.349	3.962	40	30	in-vivo	DHEBHM
CCCCCCCCC(=O)Nc1c([O-])c2ccccc2[nH]c1=O	ZINC000003022478	519973543	/nfs/dbraw/zinc/97/35/43/519973543.db2.gz	SVXSWTBIQWOPMR-UHFFFAOYSA-N	-1	3	316.401	3.923	40	30		DHEBHM
CCCCCc1cc(C(=O)OC/C(C)=N\[O-])c2ccccc2n1	ZINC000104252336	563563543	/nfs/dbraw/zinc/56/35/43/563563543.db2.gz	IFRPUNRRMJTRDK-MOSHPQCFSA-N	-1	3	314.385	3.974	40	30		DHEBHM
Cc1ccccc1C1C=C([O-])C(c2nc3ccccc3[nH]2)C(O)=C1	ZINC000009287732	563645286	/nfs/dbraw/zinc/64/52/86/563645286.db2.gz	LBKCUFDWFUXONL-UHFFFAOYSA-N	-1	3	318.376	3.760	40	30		DHEBHM
O=C1[N-]c2c(cccc2F)C1=NNc1ccc(Cl)cc1Cl	ZINC000223758701	563735937	/nfs/dbraw/zinc/73/59/37/563735937.db2.gz	IUEZDWSBPKYVOL-UHFFFAOYSA-N	-1	3	324.142	3.901	40	30		DHEBHM
CCOc1ccc(/C=N\N=C\c2ccccc2[O-])cc1OCC	ZINC000005030455	181193222	/nfs/dbraw/zinc/19/32/22/181193222.db2.gz	XYWFMEIEUARVMW-ZEDXCMECSA-N	-1	3	312.369	3.643	40	30		DHEBHM
[O-]c1ccc(Cl)cc1C=NNc1ccc(C(F)(F)F)cn1	ZINC000409105143	257222903	/nfs/dbraw/zinc/22/29/03/257222903.db2.gz	GQSDFDOKFAQRNP-KPSZGOFPSA-N	-1	3	315.682	3.905	40	30		DHEBHM
O=C(/C=C/c1ccccc1)N([O-])c1ccc(Br)cc1	ZINC000000062079	563341495	/nfs/dbraw/zinc/34/14/95/563341495.db2.gz	KRLVNBJBAPGIOH-IZZDOVSWSA-N	-1	3	318.170	3.885	40	30		DHEBHM
CCCCCCCCN1CCN=C1c1cccc([N+](=O)[O-])c1[O-]	ZINC000100934747	563554855	/nfs/dbraw/zinc/55/48/55/563554855.db2.gz	UHGSYUNZOGXZTB-UHFFFAOYSA-N	-1	3	319.405	3.723	40	30		DHEBHM
CC(=O)C(SCC(=O)Nc1cccc(Cl)c1C)=C(C)[O-]	ZINC000101159654	563556276	/nfs/dbraw/zinc/55/62/76/563556276.db2.gz	WLUKWDNDGVLBBY-NTEUORMPSA-N	-1	3	313.806	3.699	40	30		DHEBHM
CCCCCC/C=C/[C@H]1NCN[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000103655291	563561169	/nfs/dbraw/zinc/56/11/69/563561169.db2.gz	DJOTZPMKYMGSJA-PNKDWPFOSA-N	-1	3	308.466	3.602	40	30		DHEBHM
Cc1cc(Cl)ccc1NN=C1C(=O)[N-]c2c1cc(F)cc2F	ZINC000223751386	563735822	/nfs/dbraw/zinc/73/58/22/563735822.db2.gz	WSMIFVYEADFYAZ-UHFFFAOYSA-N	-1	3	321.714	3.695	40	30		DHEBHM
COc1ccc(C(C)=N[N-]c2nc3ccccc3o2)c(OC)c1	ZINC000253476379	1021489518	/nfs/dbraw/zinc/48/95/18/1021489518.db2.gz	DVSUADBLQKLLCK-UHFFFAOYSA-N	-1	3	311.341	3.681	40	30		DHEBHM
CCC(=NNc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1[O-]	ZINC000005519657	181253238	/nfs/dbraw/zinc/25/32/38/181253238.db2.gz	OUBLKUUZMMOVAT-NBVRZTHBSA-N	-1	3	303.293	3.666	40	30		DHEBHM
CN(C)c1oc(/C=N\c2ccccc2[O-])cc1Br	ZINC000408854628	257226230	/nfs/dbraw/zinc/22/62/30/257226230.db2.gz	JJJYHUBVYXMOAW-NVNXTCNLSA-N	-1	3	309.163	3.564	40	30		DHEBHM
CCOc1cccc(N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)c1	ZINC000408742129	257226697	/nfs/dbraw/zinc/22/66/97/257226697.db2.gz	UZZANJMPZBVGCY-ACRNLXFHSA-N	-1	3	321.380	3.827	40	30		DHEBHM
CCOc1ccc(/N=C\c2ccc(OC)c(OC)c2)c([O-])c1	ZINC000100344909	563549841	/nfs/dbraw/zinc/54/98/41/563549841.db2.gz	GOEHOXRWUQPPPE-WQRHYEAKSA-N	-1	3	301.342	3.559	40	30		DHEBHM
CC(N=Nc1nc2ccccc2s1)N=Nc1ccc([O-])cc1	ZINC000096113523	563959676	/nfs/dbraw/zinc/95/96/76/563959676.db2.gz	HZBIAHWTYAPGNG-MNVAPZAZSA-N	-1	3	311.370	4.531	40	30		DHEBHM
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C(=C[O-])c1ccccc1	ZINC000003846424	181049296	/nfs/dbraw/zinc/04/92/96/181049296.db2.gz	HFGGIUMQUFGSLF-LAVFITLUSA-N	-1	3	302.414	3.973	40	30		DHEBHM
O=[N+]([O-])c1cccc(CO/N=C/c2cc(Cl)ccc2[O-])c1	ZINC000016951184	182065608	/nfs/dbraw/zinc/06/56/08/182065608.db2.gz	SMQXMIGNDYKIEA-LZYBPNLTSA-N	-1	3	306.705	3.505	40	30		DHEBHM
CCCCc1sc(NN=C2CCCc3ccccc32)nc1[O-]	ZINC000032664061	521254023	/nfs/dbraw/zinc/25/40/23/521254023.db2.gz	SWTUNBQYFWUQEY-ATPAHOSSSA-N	-1	3	315.442	3.505	40	30		DHEBHM
COC(=O)c1ccc2nc(/N=C/c3ccccc3[O-])sc2c1	ZINC000000286121	563236040	/nfs/dbraw/zinc/23/60/40/563236040.db2.gz	FWODQRWUWMRKQC-RQZCQDPDSA-N	-1	3	312.350	3.539	40	30		DHEBHM
[O-]c1ccc(Cl)cc1/C=N/c1ccccc1N1CCOCC1	ZINC000016449156	563412314	/nfs/dbraw/zinc/41/23/14/563412314.db2.gz	ZUMRSEOCCBFKPA-XDHOZWIPSA-N	-1	3	316.788	3.633	40	30		DHEBHM
[O-]/N=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1	ZINC000100250175	563821748	/nfs/dbraw/zinc/82/17/48/563821748.db2.gz	OQBWQIXVPWLPGT-IUXPMGMMSA-N	-1	3	324.149	3.975	40	30		DHEBHM
[O-]c1c(/C=N/Cc2ccc3c(c2)OCO3)ccc2ccccc21	ZINC000038188102	563924590	/nfs/dbraw/zinc/92/45/90/563924590.db2.gz	DOBWDYZACJHFOL-RGVLZGJSSA-N	-1	3	305.333	3.893	40	30		DHEBHM
CCOc1ccc(/C=N\N=C/c2ccccc2[O-])cc1OCC	ZINC000016919564	182064203	/nfs/dbraw/zinc/06/42/03/182064203.db2.gz	XYWFMEIEUARVMW-YXZJEIOKSA-N	-1	3	312.369	3.643	40	30		DHEBHM
CCOc1cc(/C=N\[O-])cc(Cl)c1OCc1cccnc1	ZINC000216845643	257230823	/nfs/dbraw/zinc/23/08/23/257230823.db2.gz	XVIIHCPIYLRCAR-NVMNQCDNSA-N	-1	3	306.749	3.521	40	30		DHEBHM
Cc1ccc(Cl)cc1NN=C1C(=O)[N-]c2c1cc(F)cc2F	ZINC000223751466	563735789	/nfs/dbraw/zinc/73/57/89/563735789.db2.gz	LOKPHLYRMZXZJT-UHFFFAOYSA-N	-1	3	321.714	3.695	40	30		DHEBHM
[O-]/N=C\c1ccc(OCc2ccc(Br)cc2)cc1	ZINC000101618715	568418017	/nfs/dbraw/zinc/41/80/17/568418017.db2.gz	CVCICBPEMROIGO-SXGWCWSVSA-N	-1	3	306.159	3.836	40	30		DHEBHM
CCCCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC	ZINC000059931584	256540966	/nfs/dbraw/zinc/54/09/66/256540966.db2.gz	XIQSEQAHLROQMJ-UHFFFAOYSA-N	-1	3	319.854	3.597	40	30		DHEBHM
CC([O-])=C1C(=O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1	ZINC000004901526	181170067	/nfs/dbraw/zinc/17/00/67/181170067.db2.gz	IMGVSPFZKZPOID-OAHLLOKOSA-N	-1	3	313.378	3.546	40	30		DHEBHM
Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccccc1Cl	ZINC000005200293	181216083	/nfs/dbraw/zinc/21/60/83/181216083.db2.gz	QICJHDPBDIDIKY-GFCCVEGCSA-N	-1	3	309.756	3.717	40	30		DHEBHM
COc1cc(Cl)cc(/C=N/c2cccc([N+](=O)[O-])c2)c1[O-]	ZINC000006793250	181389876	/nfs/dbraw/zinc/38/98/76/181389876.db2.gz	OPRCMSCPNDOYCX-LZYBPNLTSA-N	-1	3	306.705	3.713	40	30		DHEBHM
COc1ccc(-c2cc(-c3ccc([O-])cc3)nc(N)c2C#N)cc1	ZINC000013126440	181831107	/nfs/dbraw/zinc/83/11/07/181831107.db2.gz	MMTPAPVBJBBVEW-UHFFFAOYSA-N	-1	3	317.348	3.584	40	30		DHEBHM
[O-]c1ccccc1/N=C\c1ccccc1I	ZINC000408553400	257230356	/nfs/dbraw/zinc/23/03/56/257230356.db2.gz	YRBSQRFVOUBINT-DHDCSXOGSA-N	-1	3	323.133	3.747	40	30		DHEBHM
C=CCSc1nnc([N-]C(=O)c2cc3ccccc3o2)s1	ZINC000007594328	563832097	/nfs/dbraw/zinc/83/20/97/563832097.db2.gz	ZVNONQPTHDLHDF-UHFFFAOYSA-N	-1	3	317.395	3.815	40	30		DHEBHM
CCn1nc(C)c(/N=C/c2cc(Br)ccc2[O-])c1C	ZINC000001100274	563924459	/nfs/dbraw/zinc/92/44/59/563924459.db2.gz	KAUZXPKQHYECOO-LZYBPNLTSA-N	-1	3	322.206	3.739	40	30		DHEBHM
Cc1cc(/C=N\[O-])cc(C)c1OC(=O)c1ccc(Cl)cc1	ZINC000256050098	563928049	/nfs/dbraw/zinc/92/80/49/563928049.db2.gz	CQQJMMVIAIOTDO-NVMNQCDNSA-N	-1	3	303.745	3.984	40	30		DHEBHM
CC(C)=CC(=O)[C@@H]1c2cccc([O-])c2C(=O)c2c(O)cc(C)cc21	ZINC000005809375	181285773	/nfs/dbraw/zinc/28/57/73/181285773.db2.gz	QNTBTRFZTVWCDZ-QGZVFWFLSA-N	-1	3	322.360	3.618	40	30		DHEBHM
C=CCc1cc(C=C2C(=O)c3ccccc3C2=O)cc(OC)c1[O-]	ZINC000057788816	256538299	/nfs/dbraw/zinc/53/82/99/256538299.db2.gz	MHCABLYBFMXIJT-UHFFFAOYSA-N	-1	3	320.344	3.592	40	30		DHEBHM
CCCCCC(=O)NC(=S)[N-]c1sc(C)c(C)c1C#N	ZINC000014257826	333151095	/nfs/dbraw/zinc/15/10/95/333151095.db2.gz	VITKVLUOPKANTG-UHFFFAOYSA-N	-1	3	309.460	3.630	40	30		DHEBHM
[O-]/N=C/c1ccc(OCc2cccc(F)c2)c(Br)c1	ZINC000253573344	333776346	/nfs/dbraw/zinc/77/63/46/333776346.db2.gz	RIGVCUJYNSVJSO-CAOOACKPSA-N	-1	3	324.149	3.975	40	30		DHEBHM
Cc1ccc(NN=C2C(=O)[N-]c3c2cccc3F)cc1Cl	ZINC000223759543	563735794	/nfs/dbraw/zinc/73/57/94/563735794.db2.gz	WLUVUJDJHMOZMX-UHFFFAOYSA-N	-1	3	303.724	3.556	40	30		DHEBHM
CCOc1ccc(/C=N/N=C/c2ccccc2[O-])cc1OCC	ZINC000001709453	563292612	/nfs/dbraw/zinc/29/26/12/563292612.db2.gz	XYWFMEIEUARVMW-KVOOEGMKSA-N	-1	3	312.369	3.643	40	30		DHEBHM
N#Cc1cc(Br)c(-c2ccc([O-])cc2)nc1Cl	ZINC000257197682	563928144	/nfs/dbraw/zinc/92/81/44/563928144.db2.gz	GKGSYUYHTRFRGF-UHFFFAOYSA-N	-1	3	309.550	3.742	40	30		DHEBHM
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)C(=C[O-])c1ccccc1	ZINC000003846423	181049339	/nfs/dbraw/zinc/04/93/39/181049339.db2.gz	HFGGIUMQUFGSLF-XOYOTBSWSA-N	-1	3	302.414	3.973	40	30		DHEBHM
[O-]/N=C\c1ccc(OCc2cccc(Br)c2)cc1	ZINC000216853228	336390579	/nfs/dbraw/zinc/39/05/79/336390579.db2.gz	UWZTXEZQTQVRCI-SXGWCWSVSA-N	-1	3	306.159	3.836	40	30		DHEBHM
[O-]c1ccc(Cl)cc1/C=N\NC(=S)Nc1ccc(F)cc1	ZINC000104395045	563564427	/nfs/dbraw/zinc/56/44/27/563564427.db2.gz	RVJWSHJBQITQSW-IUXPMGMMSA-N	-1	3	323.780	3.505	40	30		DHEBHM
CCCc1[n-]oc(=O)c1C=CC=CC=C1C(=O)ON=C1CCC	ZINC000101145568	563924608	/nfs/dbraw/zinc/92/46/08/563924608.db2.gz	CPHARWHMAGUXDW-BAAFRORFSA-N	-1	3	316.357	3.541	40	30		DHEBHM
CC(N=Nc1nc2ccccc2s1)N=Nc1ccc([O-])cc1	ZINC000096113524	563959738	/nfs/dbraw/zinc/95/97/38/563959738.db2.gz	HZBIAHWTYAPGNG-HMDIFATOSA-N	-1	3	311.370	4.531	40	30		DHEBHM
Cc1c(Cl)cccc1NN=C1C(=O)[N-]c2c1cccc2F	ZINC000223759303	563735784	/nfs/dbraw/zinc/73/57/84/563735784.db2.gz	NUISUWJZSTUMGO-UHFFFAOYSA-N	-1	3	303.724	3.556	40	30		DHEBHM
Cc1c(Cl)cccc1NN=C1C(=O)[N-]c2c1cc(F)cc2F	ZINC000223751306	563735826	/nfs/dbraw/zinc/73/58/26/563735826.db2.gz	MVVCFGAKLUKKFK-UHFFFAOYSA-N	-1	3	321.714	3.695	40	30		DHEBHM
[O-]/N=C\c1ccc(OCc2ccccc2)c(Br)c1	ZINC000006927459	563822382	/nfs/dbraw/zinc/82/23/82/563822382.db2.gz	SZVLOIZHANQTKJ-SXGWCWSVSA-N	-1	3	306.159	3.836	40	30		DHEBHM
Cc1nc(N)c(C#N)c(-c2ccccc2[O-])c1-c1ccccc1	ZINC000408980993	563960561	/nfs/dbraw/zinc/96/05/61/563960561.db2.gz	USFYONFZCCSALB-UHFFFAOYSA-N	-1	3	301.349	3.884	40	30		DHEBHM
Cc1ccc2nc(NN=Cc3ccc(O)cc3[O-])cc(C)c2c1	ZINC000005006884	181189891	/nfs/dbraw/zinc/18/98/91/181189891.db2.gz	UHEMLHJQAQQCSE-VXLYETTFSA-N	-1	3	307.353	3.709	40	30		DHEBHM
O=C1Oc2ccccc2C(=O)/C1=C/c1ccc2ccccc2c1[O-]	ZINC000026770595	563426559	/nfs/dbraw/zinc/42/65/59/563426559.db2.gz	JMSVOWOCEDCBFP-WJDWOHSUSA-N	-1	3	316.312	3.731	40	30		DHEBHM
C=CCOc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1	ZINC000223675009	563565834	/nfs/dbraw/zinc/56/58/34/563565834.db2.gz	WCZQEFAKGYBVTL-UHFFFAOYSA-N	-1	3	317.410	3.669	40	30		DHEBHM
C=CCc1cccc([O-])c1/C=N/c1sc(C)c(C)c1C(N)=O	ZINC000000414059	563608699	/nfs/dbraw/zinc/60/86/99/563608699.db2.gz	BZRHVRFMBVVCLO-DJKKODMXSA-N	-1	3	314.410	3.649	40	30		DHEBHM
CC(=O)/C(=C\c1ccc([O-])cc1)C(=O)Nc1ccc(C)cc1C	ZINC000255189257	563927725	/nfs/dbraw/zinc/92/77/25/563927725.db2.gz	ORRMCCCGILVXAK-GZTJUZNOSA-N	-1	3	309.365	3.620	40	30		DHEBHM
CN(C)c1ccc(/C=N/N=C\c2ccccc2[O-])c(Cl)c1	ZINC000016919826	182064387	/nfs/dbraw/zinc/06/43/87/182064387.db2.gz	GCQXCIKAYJTVEU-PAUOAVIZSA-N	-1	3	301.777	3.565	40	30		DHEBHM
CCCCCCCC(=O)N1NC(CCC)=C[C@@]1([O-])C(F)(F)F	ZINC000408737613	257227474	/nfs/dbraw/zinc/22/74/74/257227474.db2.gz	DVWXYEXURLEYDH-CQSZACIVSA-N	-1	3	322.371	3.986	40	30		DHEBHM
CC(C)=CC(=O)[C@H]1c2cccc([O-])c2C(=O)c2c(O)cc(C)cc21	ZINC000102980768	563560697	/nfs/dbraw/zinc/56/06/97/563560697.db2.gz	QNTBTRFZTVWCDZ-KRWDZBQOSA-N	-1	3	322.360	3.618	40	30		DHEBHM
Cc1cc(/C=N\[O-])cc(C)c1OC(=O)c1ccccc1Cl	ZINC000256049795	563928018	/nfs/dbraw/zinc/92/80/18/563928018.db2.gz	BLUOPTZMVKWHRW-NVMNQCDNSA-N	-1	3	303.745	3.984	40	30		DHEBHM
CC(=[NH+][N-]c1ccccc1)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000006269014	181325272	/nfs/dbraw/zinc/32/52/72/181325272.db2.gz	LWYCGCPLBUZVMP-CPNJWEJPSA-N	-1	3	306.369	3.722	40	30		DHEBHM
COc1cc(/C=N\[O-])cc(Cl)c1OCc1ccc(F)cc1	ZINC000100250220	257232079	/nfs/dbraw/zinc/23/20/79/257232079.db2.gz	YVMIZLTVVKZIAI-LSCVHKIXSA-N	-1	3	309.724	3.875	40	30		DHEBHM
Cc1ccc(/N=C/c2ccc(O)cc2[O-])cc1Br	ZINC000000342686	563607476	/nfs/dbraw/zinc/60/74/76/563607476.db2.gz	HBVGEOMCHRZXMZ-LZYBPNLTSA-N	-1	3	306.159	3.919	40	30		DHEBHM
Cc1ccc(/N=C/c2ccc([O-])cc2O)cc1Br	ZINC000000342686	563607473	/nfs/dbraw/zinc/60/74/73/563607473.db2.gz	HBVGEOMCHRZXMZ-LZYBPNLTSA-N	-1	3	306.159	3.919	40	30		DHEBHM
Cc1ccc(NN=C2C(=O)[N-]c3c2cc(F)cc3F)cc1Cl	ZINC000223751540	563735998	/nfs/dbraw/zinc/73/59/98/563735998.db2.gz	HJHSPNVBOCIRBZ-UHFFFAOYSA-N	-1	3	321.714	3.695	40	30		DHEBHM
Cn1c2ccccc2[nH]c1=NN=Cc1c([O-])ccc2ccccc21	ZINC000007343406	563921923	/nfs/dbraw/zinc/92/19/23/563921923.db2.gz	JTEOBDZSYOZTIP-UDWIEESQSA-N	-1	3	316.364	3.878	40	30		DHEBHM
[O-]c1ccc2ccccc2c1/C=N\Cc1ccc2c(c1)OCO2	ZINC000110216780	563924562	/nfs/dbraw/zinc/92/45/62/563924562.db2.gz	QUFBTIPTBISTFC-JAIQZWGSSA-N	-1	3	305.333	3.893	40	30		DHEBHM
O=C(/C(=N/[O-])c1ccccc1)c1ccc2c3c(cccc31)CC2	ZINC000004701203	181138938	/nfs/dbraw/zinc/13/89/38/181138938.db2.gz	OIRYAYDSJNRACY-XUTLUUPISA-N	-1	3	301.345	4.000	40	30		DHEBHM
CC([O-])=C1C(=O)C(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1	ZINC000004901540	181170472	/nfs/dbraw/zinc/17/04/72/181170472.db2.gz	IMGVSPFZKZPOID-HNNXBMFYSA-N	-1	3	313.378	3.546	40	30		DHEBHM
CC(=O)c1cccc(N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)c1	ZINC000408742391	257226852	/nfs/dbraw/zinc/22/68/52/257226852.db2.gz	WIZLUCSCPRUJAI-TYJAPOHBSA-N	-1	3	319.364	3.630	40	30		DHEBHM
CN(C)c1ccc(/C=N\N=C\c2ccccc2[O-])c(Cl)c1	ZINC000016919831	182064670	/nfs/dbraw/zinc/06/46/70/182064670.db2.gz	GCQXCIKAYJTVEU-OMYAATJGSA-N	-1	3	301.777	3.565	40	30		DHEBHM
[O-]/N=C\c1ccc(OCc2cccc(F)c2)c(Br)c1	ZINC000216811249	257230791	/nfs/dbraw/zinc/23/07/91/257230791.db2.gz	RIGVCUJYNSVJSO-IUXPMGMMSA-N	-1	3	324.149	3.975	40	30		DHEBHM
COc1ccc(/C=N/[O-])cc1OC(=O)c1cccc2ccccc21	ZINC000216943249	333389899	/nfs/dbraw/zinc/38/98/99/333389899.db2.gz	TVUJZQBLYXUBSD-UDWIEESQSA-N	-1	3	321.332	3.876	40	30		DHEBHM
O=C1[N-]c2c(cccc2F)C1=NNc1cc(Cl)cc(Cl)c1	ZINC000223758795	563735849	/nfs/dbraw/zinc/73/58/49/563735849.db2.gz	MBYXWFBCRNKLPA-UHFFFAOYSA-N	-1	3	324.142	3.901	40	30		DHEBHM
[O-]c1ccc2ccccc2c1CN=Nc1nncc2ccccc21	ZINC000005669517	181269664	/nfs/dbraw/zinc/26/96/64/181269664.db2.gz	IVTORYPOHMDFKU-CIAFOILYSA-N	-1	3	314.348	3.935	40	30		DHEBHM
Cc1cc(Cl)ccc1NN=C1C(=O)[N-]c2c1cccc2F	ZINC000223759390	201656858	/nfs/dbraw/zinc/65/68/58/201656858.db2.gz	OIORCBHAWDXEMJ-UHFFFAOYSA-N	-1	3	303.724	3.556	40	30		DHEBHM
CCOc1ccc(/C=N/N=C\c2ccccc2[O-])cc1OCC	ZINC000016919569	182064712	/nfs/dbraw/zinc/06/47/12/182064712.db2.gz	XYWFMEIEUARVMW-JFUXKBHTSA-N	-1	3	312.369	3.643	40	30		DHEBHM
[O-]c1ccc(Cl)cc1/C=N\c1ccccc1N1CCOCC1	ZINC000100933810	256567100	/nfs/dbraw/zinc/56/71/00/256567100.db2.gz	ZUMRSEOCCBFKPA-UNOMPAQXSA-N	-1	3	316.788	3.633	40	30		DHEBHM
O=[N+]([O-])c1cccc(COc2ccc(/C=N/[O-])cc2Cl)c1	ZINC000033416146	563924523	/nfs/dbraw/zinc/92/45/23/563924523.db2.gz	RJLPFTVVUOWSCO-LZYBPNLTSA-N	-1	3	306.705	3.635	40	30		DHEBHM
C=C(C)Cc1cc(C)cc(-n2nc3ccc(OC)cc3n2)c1[O-]	ZINC000144722844	563924593	/nfs/dbraw/zinc/92/45/93/563924593.db2.gz	SJYHQTDDXFSICB-UHFFFAOYSA-N	-1	3	309.369	3.562	40	30		DHEBHM
[O-]c1ccc2ccccc2c1CN=Nc1ncnc2ccccc21	ZINC000004536821	181121016	/nfs/dbraw/zinc/12/10/16/181121016.db2.gz	YFNPKHBIJFBLCR-SSDVNMTOSA-N	-1	3	314.348	3.935	40	30		DHEBHM
CC(C)(C#C/C=C/CNCc1cccc2ccccc21)C(=O)[O-]	ZINC000005167703	181212364	/nfs/dbraw/zinc/21/23/64/181212364.db2.gz	HLMXKUJHRUTHIL-XVNBXDOJSA-N	-1	3	307.393	3.600	40	30	in-vitro	DHEBHM
[O-]c1ccc(Cl)cc1/C=N\N=C/c1cc(Cl)ccc1O	ZINC000017164575	182077535	/nfs/dbraw/zinc/07/75/35/182077535.db2.gz	UOUUHDVBBGLSHK-MZAUSLISSA-N	-1	3	309.152	3.858	40	30		DHEBHM
O=C1c2ccccc2C/C1=C\c1cc(Br)ccc1[O-]	ZINC000409372800	257220237	/nfs/dbraw/zinc/22/02/37/257220237.db2.gz	NOZZIVDFLULUKD-XYOKQWHBSA-N	-1	3	315.166	3.977	40	30		DHEBHM
C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OC)c1[O-]	ZINC000409070077	257223550	/nfs/dbraw/zinc/22/35/50/257223550.db2.gz	KMHVPQBLVZBRJK-WOJGMQOQSA-N	-1	3	312.325	3.788	40	30		DHEBHM
CC(=O)c1cccc(N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)c1	ZINC000408742386	257226548	/nfs/dbraw/zinc/22/65/48/257226548.db2.gz	WIZLUCSCPRUJAI-BAOGCXAUSA-N	-1	3	319.364	3.630	40	30		DHEBHM
C=CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000408609611	257229413	/nfs/dbraw/zinc/22/94/13/257229413.db2.gz	PIJHHCCIOFSFMT-UHFFFAOYSA-N	-1	3	323.801	3.706	40	30		DHEBHM
[O-]/N=C\c1ccc(OCc2ccccc2F)c(Br)c1	ZINC000100250186	257230937	/nfs/dbraw/zinc/23/09/37/257230937.db2.gz	ONRUFCXXFGVRQJ-IUXPMGMMSA-N	-1	3	324.149	3.975	40	30		DHEBHM
CC(C)(C#C/C=C\CNCc1cccc2ccccc21)C(=O)[O-]	ZINC000090677943	563819570	/nfs/dbraw/zinc/81/95/70/563819570.db2.gz	HLMXKUJHRUTHIL-CLTKARDFSA-N	-1	3	307.393	3.600	40	30		DHEBHM
[O-]c1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1Cl	ZINC000409068080	257223642	/nfs/dbraw/zinc/22/36/42/257223642.db2.gz	HGHAVIZFQRQWBM-KPSZGOFPSA-N	-1	3	315.682	3.905	40	30		DHEBHM
O=C1[N-]c2c(cccc2F)C1=NNc1cccc(Cl)c1Cl	ZINC000223760224	563735988	/nfs/dbraw/zinc/73/59/88/563735988.db2.gz	UGFSBHBLPIAFJS-UHFFFAOYSA-N	-1	3	324.142	3.901	40	30		DHEBHM
Cc1cc(Cl)cc(/C=N/c2ccc(NC(N)=S)cc2)c1[O-]	ZINC000000569437	563267361	/nfs/dbraw/zinc/26/73/61/563267361.db2.gz	MXIVYKCDQJPJMF-QGMBQPNBSA-N	-1	3	319.817	3.760	40	30		DHEBHM
CN(C)c1ccc(/C=N/N=C/c2ccccc2[O-])c(Cl)c1	ZINC000001709511	563292707	/nfs/dbraw/zinc/29/27/07/563292707.db2.gz	GCQXCIKAYJTVEU-XOBNHNQQSA-N	-1	3	301.777	3.565	40	30		DHEBHM
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C(=C[O-])c1ccccc1	ZINC000013406092	563381514	/nfs/dbraw/zinc/38/15/14/563381514.db2.gz	HFGGIUMQUFGSLF-BGTYHANMSA-N	-1	3	302.414	3.973	40	30		DHEBHM
CN(C)c1ccc(-n2cccc2/C=N/c2ccc([O-])cc2)cc1	ZINC000408854388	257226298	/nfs/dbraw/zinc/22/62/98/257226298.db2.gz	DONRVKUMOWXGFR-XSFVSMFZSA-N	-1	3	305.381	4.000	40	30		DHEBHM
C(=N\n1nnnc1[N-]c1cccc2ccccc21)\c1cccs1	ZINC000032116732	518381355	/nfs/dbraw/zinc/38/13/55/518381355.db2.gz	JNQOECINUUREKJ-BOPFTXTBSA-N	-1	3	320.381	3.514	40	30		DHEBHM
CCCCc1sc(NN=C2CCCc3ccccc32)nc1[O-]	ZINC000032664059	521120555	/nfs/dbraw/zinc/12/05/55/521120555.db2.gz	SWTUNBQYFWUQEY-NOMGLIDZSA-N	-1	3	315.442	3.505	40	30		DHEBHM
[O-]/N=C\c1cccc(OCc2ccc(Br)cc2)c1	ZINC000103839139	563855526	/nfs/dbraw/zinc/85/55/26/563855526.db2.gz	RWMCLCNZGWUQEX-SXGWCWSVSA-N	-1	3	306.159	3.836	40	30		DHEBHM
O=[N+]([O-])c1cccc(CO/N=C\c2cc(Cl)ccc2[O-])c1	ZINC000072937986	191253089	/nfs/dbraw/zinc/25/30/89/191253089.db2.gz	SMQXMIGNDYKIEA-PXNMLYILSA-N	-1	3	306.705	3.505	40	30		DHEBHM
CN(C/C=C/C#CC(C)(C)C(=O)[O-])Cc1cccc2ccccc21	ZINC000005167702	181212566	/nfs/dbraw/zinc/21/25/66/181212566.db2.gz	DSPCPJFHUUUMEV-XBXARRHUSA-N	-1	3	321.420	3.942	40	30	in-vitro	DHEBHM
COc1ccc(C(C)=N[N-]c2nc3ccccc3o2)c(OC)c1	ZINC000005517043	181252327	/nfs/dbraw/zinc/25/23/27/181252327.db2.gz	DVSUADBLQKLLCK-YBFXNURJSA-N	-1	3	311.341	3.681	40	30		DHEBHM
[O-]/N=C\c1cccc(OCc2cccc(Br)c2)c1	ZINC000216849561	257230794	/nfs/dbraw/zinc/23/07/94/257230794.db2.gz	MJCMKVAPFGLNHC-SXGWCWSVSA-N	-1	3	306.159	3.836	40	30		DHEBHM
CN(C)c1ccc(/C=N\N=C/c2ccccc2[O-])c(Cl)c1	ZINC000008627679	563348728	/nfs/dbraw/zinc/34/87/28/563348728.db2.gz	GCQXCIKAYJTVEU-BJPQZVBLSA-N	-1	3	301.777	3.565	40	30		DHEBHM
CCOc1ccc2c(c1)S/C(=C1\[N-]c3ccccc3C1=O)C2=O	ZINC000100480361	563877511	/nfs/dbraw/zinc/87/75/11/563877511.db2.gz	ROQDCSZJVDVQQV-SDXDJHTJSA-N	-1	3	323.373	3.894	40	30		DHEBHM
CN(C)c1ccc(/N=C/c2cc(Br)ccc2[O-])cc1	ZINC000002775280	1014340835	/nfs/dbraw/zinc/34/08/35/1014340835.db2.gz	RUESPJBBVMYJKA-LICLKQGHSA-N	-1	3	319.202	3.971	40	30		DHEBHM
CC(=NNC([S-])=Nc1ccccc1Cl)c1ccccn1	ZINC000017253031	1036921336	/nfs/dbraw/zinc/92/13/36/1036921336.db2.gz	DIAIPLSVPPGTLG-ZDLGFXPLSA-N	-1	3	304.806	3.857	40	30		DHEBHM
O=C1[N-]C(=O)c2cc(/N=C/c3ccc(Cl)cc3Cl)ccc21	ZINC000016698669	182058203	/nfs/dbraw/zinc/05/82/03/182058203.db2.gz	PWZZFWYVQUVFIU-CNHKJKLMSA-N	-1	3	319.147	3.628	40	30		DHEBHM
COc1cc(/C=N/[O-])cc(Cl)c1OCc1cccc(F)c1	ZINC000408935041	257225225	/nfs/dbraw/zinc/22/52/25/257225225.db2.gz	CCANIXGMKQDBCU-QGMBQPNBSA-N	-1	3	309.724	3.875	40	30		DHEBHM
COc1ccc(C(C)=N[N-]c2nc3ccccc3o2)c(OC)c1	ZINC000019626323	333331735	/nfs/dbraw/zinc/33/17/35/333331735.db2.gz	DVSUADBLQKLLCK-ODLFYWEKSA-N	-1	3	311.341	3.681	40	30		DHEBHM
[O-]c1ccc(Br)cc1C=Nc1ccc2[nH]cnc2c1	ZINC000059843793	563479250	/nfs/dbraw/zinc/47/92/50/563479250.db2.gz	FBZBHKWQNPIAIG-FRKPEAEDSA-N	-1	3	316.158	3.782	40	30		DHEBHM
O=C1[N-]c2c(cccc2F)C1=NNc1cccc(C(F)(F)F)c1	ZINC000223760052	563735928	/nfs/dbraw/zinc/73/59/28/563735928.db2.gz	FTPUHCZMDBUOFQ-UHFFFAOYSA-N	-1	3	323.249	3.613	40	30		DHEBHM
CC1CCN(C(=O)c2cccc3c2-c2ccccc2/C3=N\[O-])CC1	ZINC000005027280	181192581	/nfs/dbraw/zinc/19/25/81/181192581.db2.gz	MOIQVJAUFBJFOU-XUTLUUPISA-N	-1	3	320.392	3.766	40	30		DHEBHM
C=CCc1cc(/C=N/c2ccc(OC)nc2)cc(OCC)c1[O-]	ZINC000018066765	182092086	/nfs/dbraw/zinc/09/20/86/182092086.db2.gz	IGDRBKOEVXKPIA-YBFXNURJSA-N	-1	3	312.369	3.674	40	30		DHEBHM
[O-]c1ccc2oc3c(c2c1/C=N/CCCn1ccnc1)CCCC3	ZINC000006694565	526356186	/nfs/dbraw/zinc/35/61/86/526356186.db2.gz	HPYLDZKLXZBBKG-UDWIEESQSA-N	-1	3	323.396	3.723	40	30		DHEBHM
N=C([S-])NN=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1	ZINC000008579005	563348090	/nfs/dbraw/zinc/34/80/90/563348090.db2.gz	KWPFCUBSHONXMQ-SOFYXZRVSA-N	-1	3	314.197	3.832	40	30		DHEBHM
[O-]c1ccc(Cl)cc1/C=N/N=C/c1cc(Cl)ccc1O	ZINC000001603541	563287482	/nfs/dbraw/zinc/28/74/82/563287482.db2.gz	UOUUHDVBBGLSHK-ZEELXFFVSA-N	-1	3	309.152	3.858	40	30		DHEBHM
CC1(C)c2cc([O-])ccc2N=C2C=C(Cl)C(=O)C(Cl)=C21	ZINC000014982912	563404559	/nfs/dbraw/zinc/40/45/59/563404559.db2.gz	IIBCJNSFAIYYJJ-UHFFFAOYSA-N	-1	3	308.164	3.954	40	30	in-vitro	DHEBHM
C=CCOc1c2c(C)c(C(=O)[O-])oc2ccc1Br	ZINC000085395666	192500806	/nfs/dbraw/zinc/50/08/06/192500806.db2.gz	WUKCHBPACJAWEY-UHFFFAOYSA-N	-1	3	311.131	3.767	40	30		DHEBHM
Cc1cccc(C2C=C([O-])C(c3nc4ccccc4[nH]3)C(O)=C2)c1	ZINC000009287725	181611767	/nfs/dbraw/zinc/61/17/67/181611767.db2.gz	BLUUYJAKOVYMRA-UHFFFAOYSA-N	-1	3	318.376	3.760	40	30		DHEBHM
CC(C)Oc1ccc(C=NNc2nc3ccccc3[nH]2)c([O-])c1	ZINC000408592394	257229423	/nfs/dbraw/zinc/22/94/23/257229423.db2.gz	XYYHYTOLGCEALK-VCHYOVAHSA-N	-1	3	310.357	3.502	40	30		DHEBHM
N#CCCN(CCC#N)Cc1cc(-c2ccccc2)ccc1[O-]	ZINC000031601657	526454918	/nfs/dbraw/zinc/45/49/18/526454918.db2.gz	OXQXPBFUZILTIV-UHFFFAOYSA-N	-1	3	305.381	3.689	40	30		DHEBHM
[O-]c1ccc(Cl)cc1/C=N/c1ccc(N2CCOCC2)cc1	ZINC000000258398	563607031	/nfs/dbraw/zinc/60/70/31/563607031.db2.gz	PDFWBUOMAIROSY-XDHOZWIPSA-N	-1	3	316.788	3.633	40	30		DHEBHM
CN(C/C=C\C#CC(C)(C)C(=O)[O-])Cc1cccc2ccccc21	ZINC000090502382	185299443	/nfs/dbraw/zinc/29/94/43/185299443.db2.gz	DSPCPJFHUUUMEV-YWEYNIOJSA-N	-1	3	321.420	3.942	40	30		DHEBHM
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)C(=C[O-])c1ccccc1	ZINC000003846425	181049284	/nfs/dbraw/zinc/04/92/84/181049284.db2.gz	HFGGIUMQUFGSLF-LEUOFYLZSA-N	-1	3	302.414	3.973	40	30		DHEBHM
CN(C)c1ccc(-n2cccc2/C=N\c2ccccc2[O-])cc1	ZINC000408949312	257225144	/nfs/dbraw/zinc/22/51/44/257225144.db2.gz	AUXBEJXBSXHLMA-ZHZULCJRSA-N	-1	3	305.381	4.000	40	30		DHEBHM
CN(C)c1oc(/C=N/c2ccc([O-])cc2)cc1Br	ZINC000408851192	257225890	/nfs/dbraw/zinc/22/58/90/257225890.db2.gz	JLUMSZRWHBUQRD-OVCLIPMQSA-N	-1	3	309.163	3.564	40	30		DHEBHM
O=[N+]([O-])c1ccc(COc2ccc(/C=N\[O-])cc2Cl)cc1	ZINC000100250157	563548720	/nfs/dbraw/zinc/54/87/20/563548720.db2.gz	ROBAUYJQGQUWOH-PXNMLYILSA-N	-1	3	306.705	3.635	40	30		DHEBHM
C[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(O)cc3[O-])sc2C1	ZINC000000295581	563607435	/nfs/dbraw/zinc/60/74/35/563607435.db2.gz	YESVUVWJYSJFBY-XTTRTJGBSA-N	-1	3	312.394	3.906	40	30		DHEBHM
C[C@@H]1CCc2c(C#N)c(/N=C/c3ccc([O-])cc3O)sc2C1	ZINC000000295581	563607436	/nfs/dbraw/zinc/60/74/36/563607436.db2.gz	YESVUVWJYSJFBY-XTTRTJGBSA-N	-1	3	312.394	3.906	40	30		DHEBHM
Cc1cc(/C=N\[O-])cc(C)c1OC(=O)c1cccc(Cl)c1	ZINC000256054136	1019707949	/nfs/dbraw/zinc/70/79/49/1019707949.db2.gz	VBHOUGKKYGYBGF-NVMNQCDNSA-N	-1	3	303.745	3.984	40	30		DHEBHM
CCOc1ccc(/N=C/c2ccc(OC)c(OC)c2)c([O-])c1	ZINC000017951572	182088404	/nfs/dbraw/zinc/08/84/04/182088404.db2.gz	GOEHOXRWUQPPPE-WOJGMQOQSA-N	-1	3	301.342	3.559	40	30		DHEBHM
C=CCc1cc(/C=N/[O-])cc(OC)c1OCc1ccccc1F	ZINC000409067389	257223480	/nfs/dbraw/zinc/22/34/80/257223480.db2.gz	QOLYLZVDYZCNMF-RGVLZGJSSA-N	-1	3	315.344	3.950	40	30		DHEBHM
[O-]c1ccc(/N=C/c2ccccc2I)cc1	ZINC000408553071	257230287	/nfs/dbraw/zinc/23/02/87/257230287.db2.gz	WSOOIZADHYWULQ-OQLLNIDSSA-N	-1	3	323.133	3.747	40	30		DHEBHM
COc1cc(C=C2CCC(C(=O)C(F)(F)F)=C2[O-])ccc1O	ZINC000107758276	563924549	/nfs/dbraw/zinc/92/45/49/563924549.db2.gz	DEXPWXJPQJIOHA-NHZNEZGNSA-N	-1	3	314.259	3.522	40	30		DHEBHM
CC(=[NH+][N-]c1nnc(SCCC(C)C)[n-]1)c1ccccc1	ZINC000009695146	563353831	/nfs/dbraw/zinc/35/38/31/563353831.db2.gz	RENHFDYZRCIOLF-SFQUDFHCSA-N	-1	3	303.435	3.779	40	30		DHEBHM
Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccccc1Cl	ZINC000013226917	563380334	/nfs/dbraw/zinc/38/03/34/563380334.db2.gz	QICJHDPBDIDIKY-LBPRGKRZSA-N	-1	3	309.756	3.717	40	30		DHEBHM
COc1cc(Cl)cc(N([O-])C(C)=O)c1OCc1ccccc1	ZINC000001633430	563522693	/nfs/dbraw/zinc/52/26/93/563522693.db2.gz	WEEUETMIMZXYHL-UHFFFAOYSA-N	-1	3	321.760	3.670	40	30		DHEBHM
Cc1ccc(Cl)cc1NN=C1C(=O)[N-]c2c1cccc2F	ZINC000223759470	563735775	/nfs/dbraw/zinc/73/57/75/563735775.db2.gz	JFBBQOKZQWLUPI-UHFFFAOYSA-N	-1	3	303.724	3.556	40	30		DHEBHM
CC(C)c1ccc(NN=C2C(=O)[N-]c3c2cc(F)cc3F)cc1	ZINC000223751924	563735856	/nfs/dbraw/zinc/73/58/56/563735856.db2.gz	UOYYLTRGUCSANR-UHFFFAOYSA-N	-1	3	315.323	3.857	40	30		DHEBHM
CC(C)Oc1ccc(C=NNc2nc3ccccc3n2C)c([O-])c1	ZINC000007343450	563922012	/nfs/dbraw/zinc/92/20/12/563922012.db2.gz	PAUUEZUOHZIOIZ-YBFXNURJSA-N	-1	3	324.384	3.512	40	30		DHEBHM
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C(=C[O-])c1ccccc1	ZINC000003846422	181049158	/nfs/dbraw/zinc/04/91/58/181049158.db2.gz	HFGGIUMQUFGSLF-NRSFXHEJSA-N	-1	3	302.414	3.973	40	30		DHEBHM
COc1ccc(C(=O)/C=C/c2cc(Cl)c([O-])c(OC)c2)cc1	ZINC000005128830	181207057	/nfs/dbraw/zinc/20/70/57/181207057.db2.gz	ROIWJFVIDAOOLM-FPYGCLRLSA-N	-1	3	318.756	3.959	40	30		DHEBHM
CCCCCc1cc(C(=O)OC/C(C)=N/[O-])c2ccccc2n1	ZINC000017157827	182077628	/nfs/dbraw/zinc/07/76/28/182077628.db2.gz	IFRPUNRRMJTRDK-DEDYPNTBSA-N	-1	3	314.385	3.974	40	30		DHEBHM
CCOc1cccc(N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)c1	ZINC000408742130	257226943	/nfs/dbraw/zinc/22/69/43/257226943.db2.gz	UZZANJMPZBVGCY-JZQBQCRLSA-N	-1	3	321.380	3.827	40	30		DHEBHM
CCCCCCCC(=O)N1NC(CCC)=C[C@]1([O-])C(F)(F)F	ZINC000408737610	257227209	/nfs/dbraw/zinc/22/72/09/257227209.db2.gz	DVWXYEXURLEYDH-AWEZNQCLSA-N	-1	3	322.371	3.986	40	30		DHEBHM
CCN(CC)c1ccc(/C=N/c2ccc([N+](=O)[O-])cc2)c([O-])c1	ZINC000016678433	182057228	/nfs/dbraw/zinc/05/72/28/182057228.db2.gz	YWJKGDSRRVCFNC-LDADJPATSA-N	-1	3	313.357	3.897	40	30		DHEBHM
[O-]c1ccccc1/C=N/c1ccc(N2CCOCC2)c(Cl)c1	ZINC000005571885	563330262	/nfs/dbraw/zinc/33/02/62/563330262.db2.gz	WZDJDMVCUCHDKO-XDHOZWIPSA-N	-1	3	316.788	3.633	40	30		DHEBHM
C=CCc1cc(/C=N/[O-])cc(OC)c1OCc1ccc(F)cc1	ZINC000409074945	257223570	/nfs/dbraw/zinc/22/35/70/257223570.db2.gz	OXGMAUZWXAMMIK-RGVLZGJSSA-N	-1	3	315.344	3.950	40	30		DHEBHM
COc1cc(/C=N\[O-])cc(Cl)c1OCc1ccccc1F	ZINC000100250233	257232086	/nfs/dbraw/zinc/23/20/86/257232086.db2.gz	UHFCTRHQCZQCIX-LSCVHKIXSA-N	-1	3	309.724	3.875	40	30		DHEBHM
O=c1[nH]c2ccccc2nc1C=C([O-])c1ccc2ccccc2c1	ZINC000006745099	563333846	/nfs/dbraw/zinc/33/38/46/563333846.db2.gz	DEHCSHHVKKVLGE-PDGQHHTCSA-N	-1	3	314.344	3.971	40	30		DHEBHM
[O-]/N=C/c1cc(Cc2ccccc2)cc(Br)c1O	ZINC000100293360	563549037	/nfs/dbraw/zinc/54/90/37/563549037.db2.gz	ZQSFTFWVDMQSJL-CXUHLZMHSA-N	-1	3	306.159	3.554	40	30		DHEBHM
CCCc1[n-]oc(=O)c1C=CC=CC=C1C(=O)ON=C1CCC	ZINC000060292672	563923321	/nfs/dbraw/zinc/92/33/21/563923321.db2.gz	CPHARWHMAGUXDW-QSEZCERFSA-N	-1	3	316.357	3.541	40	30		DHEBHM