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(/C=N\NC(=S)Nc2ccccc2)cc1I	ZINC000408966302	231137652	/nfs/dbraw/zinc/13/76/52/231137652.db2.gz	ZKOAKZPPBRNCIE-SXGWCWSVSA-N	-1	3	397.241	3.317	40	30		GGEBHM
CC1CCC2(CC1)[N-]C(=O)N(N=Cc1c(F)c(F)c(F)c(F)c1F)C2=O	ZINC000006687312	204191173	/nfs/dbraw/zinc/19/11/73/204191173.db2.gz	UCRYBZSROKQNDX-GEVRCRHISA-N	-1	3	375.297	3.217	40	30		GGEBHM
COc1ccccc1C=C1SC(=N[N-]c2nc(C)c(C(C)=O)s2)NC1=O	ZINC000005853258	524322013	/nfs/dbraw/zinc/32/20/13/524322013.db2.gz	COKVYQHBAPVMTI-MDWZMJQESA-N	-1	3	388.474	3.250	40	30		GGEBHM
N#Cc1ccccc1NC(=O)CSc1n[n-]c(COc2ccccc2F)n1	ZINC000014152651	534818400	/nfs/dbraw/zinc/81/84/00/534818400.db2.gz	FWLPBBYXXILKHL-UHFFFAOYSA-N	-1	3	383.408	3.125	40	30		GGEBHM
Cc1ccc(NC2=NC3(CCN(Cc4ccccc4)CC3)C(C#N)=C([O-])N2)cc1	ZINC000020673364	525269550	/nfs/dbraw/zinc/26/95/50/525269550.db2.gz	KOBOBMAPZVGNTO-FQEVSTJZSA-N	-1	3	387.487	3.067	40	30		GGEBHM
CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(Br)c1[O-]	ZINC000408750561	528201236	/nfs/dbraw/zinc/20/12/36/528201236.db2.gz	OTPGCZVXEHSRAQ-IDUWFGFVSA-N	-1	3	381.186	3.303	40	30		GGEBHM
CCOC(=O)c1sc([N-]C(=S)NC(=O)c2cccs2)c(C#N)c1C	ZINC000408624445	528399730	/nfs/dbraw/zinc/39/97/30/528399730.db2.gz	UEJXDODWIZXROY-UHFFFAOYSA-N	-1	3	379.488	3.293	40	30		GGEBHM
COc1cc(/C=N/[O-])cc(Br)c1OCC(=O)Nc1ccccc1	ZINC000013747490	564278489	/nfs/dbraw/zinc/27/84/89/564278489.db2.gz	UFXWTDYZGMMRQW-GIJQJNRQSA-N	-1	3	379.210	3.283	40	30		GGEBHM
[O-]c1ccc(Cl)cc1/C=N\NC(=S)N/N=C\c1cc(Cl)ccc1O	ZINC000104388445	564954833	/nfs/dbraw/zinc/95/48/33/564954833.db2.gz	DJCOGVNAADFKNZ-DZWUWFSDSA-N	-1	3	383.260	3.237	40	30		GGEBHM
COc1ccccc1NC(=O)COc1ccc(/C=N\[O-])cc1Br	ZINC000108988871	565019848	/nfs/dbraw/zinc/01/98/48/565019848.db2.gz	FYUJJWHLIKFWRM-NVMNQCDNSA-N	-1	3	379.210	3.283	40	30		GGEBHM
C=CCOc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1	ZINC000038755228	570252694	/nfs/dbraw/zinc/25/26/94/570252694.db2.gz	JWDUXMSZMDRQFR-UHFFFAOYSA-N	-1	3	386.473	3.487	40	30		GGEBHM
COc1ccc2nc(NC(=O)C([O-])=C(C#N)c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000001617369	570266049	/nfs/dbraw/zinc/26/60/49/570266049.db2.gz	FSYUBUCFECOFOM-CYBMUJFWSA-N	-1	3	396.384	3.028	40	30		GGEBHM
O=C1[N-]/C(=N\N=C\c2c3ccccc3[nH]c2-c2ccccc2)S[C@H]1CCO	ZINC000027642330	570437796	/nfs/dbraw/zinc/43/77/96/570437796.db2.gz	POPGYYIMLJOIBQ-RHLNUJDMSA-N	-1	3	378.457	3.139	40	30		GGEBHM
C=CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3CC)cc1	ZINC000225694438	570457197	/nfs/dbraw/zinc/45/71/97/570457197.db2.gz	ASPYENMTFRPGMQ-UHFFFAOYSA-N	-1	3	390.486	3.449	40	30		GGEBHM
COc1ccc(NC(=O)[C@H]2CC(=O)[N-]/C(=N/N=C(\C)c3ccccc3)S2)cc1	ZINC000005006780	570653013	/nfs/dbraw/zinc/65/30/13/570653013.db2.gz	KODOFRRINHZWSV-YXUUZYBBSA-N	-1	3	396.472	3.036	40	30		GGEBHM
COc1ccccc1-c1nc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)n[n-]1	ZINC000052779053	570817486	/nfs/dbraw/zinc/81/74/86/570817486.db2.gz	ASUBCKVSHMTPBD-CYBMUJFWSA-N	-1	3	377.404	3.121	40	30		GGEBHM
COc1cccc(C(C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)=N[O-])c1	ZINC000252679225	1433864163	/nfs/dbraw/zinc/86/41/63/1433864163.db2.gz	JRQDNYRAOVPLFL-QGZVFWFLSA-N	-1	3	384.432	3.230	40	30	biogenic	GGEBHM
C=CCc1cccc(CN2CCc3nc4c(C)csc4c(=O)n3CC2)c1[O-]	ZINC000019240326	206251546	/nfs/dbraw/zinc/25/15/46/206251546.db2.gz	DFOCGABMSKARIF-UHFFFAOYSA-N	-1	3	381.501	3.259	40	30		GGEBHM
C=CCn1c(SCC(=O)Nc2ccccc2[O-])nc2sc(C)cc2c1=O	ZINC000005017291	519225392	/nfs/dbraw/zinc/22/53/92/519225392.db2.gz	CZMIKTKHKLMWDZ-UHFFFAOYSA-N	-1	3	387.486	3.389	40	30		GGEBHM
COCc1cc(C)nc(N=NCc2cc(Br)c([O-])cc2O)c1C#N	ZINC000004797926	522916617	/nfs/dbraw/zinc/91/66/17/522916617.db2.gz	OFQGUOXYQREMLJ-FBCYGCLPSA-N	-1	3	391.225	3.028	40	30		GGEBHM
C=CCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1Cl	ZINC000408584682	526574493	/nfs/dbraw/zinc/57/44/93/526574493.db2.gz	SXPUHTZJIYYIPB-UHFFFAOYSA-N	-1	3	394.880	3.130	40	30		GGEBHM
C=CCn1c(SCC(=O)Nc2ccccc2[O-])nnc1-c1ccccc1O	ZINC000408541950	527337315	/nfs/dbraw/zinc/33/73/15/527337315.db2.gz	GAJSHSFPDQQPTG-UHFFFAOYSA-N	-1	3	382.445	3.273	40	30		GGEBHM
CC(=O)c1sc(NC(=O)CSc2nnc(-c3ccco3)[n-]2)c(C#N)c1C	ZINC000409275267	527442547	/nfs/dbraw/zinc/44/25/47/527442547.db2.gz	SWNHXPLHHYZWNH-UHFFFAOYSA-N	-1	3	387.446	3.240	40	30		GGEBHM
CC(=O)c1sc(NC(=O)CSc2nc(-c3ccco3)n[n-]2)c(C#N)c1C	ZINC000409275267	527442549	/nfs/dbraw/zinc/44/25/49/527442549.db2.gz	SWNHXPLHHYZWNH-UHFFFAOYSA-N	-1	3	387.446	3.240	40	30		GGEBHM
CC(=O)c1sc(NC(=O)CSc2n[n-]c(-c3ccco3)n2)c(C#N)c1C	ZINC000409275267	527442550	/nfs/dbraw/zinc/44/25/50/527442550.db2.gz	SWNHXPLHHYZWNH-UHFFFAOYSA-N	-1	3	387.446	3.240	40	30		GGEBHM
O=[N+]([O-])c1ccc(N=NCc2ccc([O-])c(Br)c2)c([N+](=O)[O-])c1	ZINC000005567626	564217874	/nfs/dbraw/zinc/21/78/74/564217874.db2.gz	QIHKQBBKBHUQLV-VIZOYTHASA-N	-1	3	381.142	3.417	40	30		GGEBHM
O=C(CCN1C(=S)N=NC1c1cccs1)Nc1nnc(C(F)(F)F)[n-]1	ZINC000040071108	564425415	/nfs/dbraw/zinc/42/54/15/564425415.db2.gz	CICLQDLYQUNUFD-UHFFFAOYSA-N	-1	3	389.388	3.111	40	30		GGEBHM
O=C(CCN1C(=S)N=NC1c1cccs1)Nc1nc(C(F)(F)F)n[n-]1	ZINC000040071108	564425416	/nfs/dbraw/zinc/42/54/16/564425416.db2.gz	CICLQDLYQUNUFD-UHFFFAOYSA-N	-1	3	389.388	3.111	40	30		GGEBHM
COc1cc(/C=N\[O-])cc(Br)c1OCC(=O)Nc1ccccc1F	ZINC000108985870	565019883	/nfs/dbraw/zinc/01/98/83/565019883.db2.gz	BDIUROMHSRWUNZ-UWVJOHFNSA-N	-1	3	397.200	3.422	40	30		GGEBHM
COc1ccc2nc(NC(=O)C([O-])=C(C#N)c3ccc([N+](=O)[O-])cc3)sc2c1	ZINC000006424513	570479953	/nfs/dbraw/zinc/47/99/53/570479953.db2.gz	FSYUBUCFECOFOM-ZDUSSCGKSA-N	-1	3	396.384	3.028	40	30		GGEBHM
COc1cccc(/C(C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)=N/[O-])c1	ZINC000106536712	570746636	/nfs/dbraw/zinc/74/66/36/570746636.db2.gz	JRQDNYRAOVPLFL-FIOICXDGSA-N	-1	3	384.432	3.230	40	30		GGEBHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1c(F)cccc1Cl	ZINC000007989448	570799999	/nfs/dbraw/zinc/79/99/99/570799999.db2.gz	UKDMKDDIRLWSQD-UHFFFAOYSA-N	-1	3	375.831	3.247	40	30		GGEBHM
Cc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[n-]c(=O)c1CC#N	ZINC000013639838	570863251	/nfs/dbraw/zinc/86/32/51/570863251.db2.gz	RIZRNZRPBAOVLJ-UHFFFAOYSA-N	-1	3	399.498	3.056	40	30		GGEBHM
COc1ccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CCC3)c(OC)c1	ZINC000008072069	1398800218	/nfs/dbraw/zinc/80/02/18/1398800218.db2.gz	DLWCAJPZIQWOPG-UHFFFAOYSA-N	-1	3	387.486	3.252	40	30		GGEBHM
CCn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1ccccc1[O-]	ZINC000409410919	231201891	/nfs/dbraw/zinc/20/18/91/231201891.db2.gz	AKNQJYPNTPCQNO-UHFFFAOYSA-N	-1	3	379.445	3.273	40	30		GGEBHM
CCn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1ccccc1[O-]	ZINC000409411298	231202369	/nfs/dbraw/zinc/20/23/69/231202369.db2.gz	FPBMSEOPIAHNCO-UHFFFAOYSA-N	-1	3	379.445	3.273	40	30		GGEBHM
COC(=O)c1sc([N-]C(=S)NC(=O)c2ccc(C)cc2C)c(C#N)c1C	ZINC000002592803	209369602	/nfs/dbraw/zinc/36/96/02/209369602.db2.gz	BDMQJGZRTJHLMQ-UHFFFAOYSA-N	-1	3	387.486	3.458	40	30		GGEBHM
[O-]c1ccc(Cl)cc1/C=N/N1CCN(/N=C/c2cc(Cl)ccc2O)CC1	ZINC000001700735	209337532	/nfs/dbraw/zinc/33/75/32/209337532.db2.gz	YLVBILUZOVUXKN-XHQRYOPUSA-N	-1	3	393.274	3.390	40	30		GGEBHM
C=CCn1c(-c2ccc([O-])c(C(N)=O)c2)cs/c1=N\c1ccc(OC)cc1	ZINC000014067381	209166071	/nfs/dbraw/zinc/16/60/71/209166071.db2.gz	CGYPFYLHABZPLX-XDOYNYLZSA-N	-1	3	381.457	3.448	40	30		GGEBHM
COC(=O)c1ccc(SCC/C(CN2C(=O)c3ccccc3C2=O)=N/[O-])cc1	ZINC000104210232	522159472	/nfs/dbraw/zinc/15/94/72/522159472.db2.gz	MRWUVRKFROOQHI-STZFKDTASA-N	-1	3	398.440	3.082	40	30		GGEBHM
Cc1cc([O-])c(CN2CCC(C(N)=O)CC2)c2c1C(=O)/C(=C/c1cccs1)O2	ZINC000094993333	525314431	/nfs/dbraw/zinc/31/44/31/525314431.db2.gz	COVUUAPYXLNAER-YVLHZVERSA-N	-1	3	398.484	3.076	40	30		GGEBHM
[O-]c1ccc(Br)cc1C=NNC(=S)Nc1ccc2c[nH]nc2c1	ZINC000017417513	526341082	/nfs/dbraw/zinc/34/10/82/526341082.db2.gz	IPTWKVRBGZADAS-QGMBQPNBSA-N	-1	3	390.266	3.352	40	30		GGEBHM
N#CC1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC1	ZINC000058142774	526440242	/nfs/dbraw/zinc/44/02/42/526440242.db2.gz	BCQPTCKVNMCTGT-UHFFFAOYSA-N	-1	3	387.436	3.002	40	30		GGEBHM
C=CCOc1c(CC=C)cc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc1OCC	ZINC000409081112	526821979	/nfs/dbraw/zinc/82/19/79/526821979.db2.gz	OQPOCILNBLPZLP-SFQUDFHCSA-N	-1	3	386.473	3.485	40	30		GGEBHM
O=C1CCCC2=C1[C@H](c1cccc(F)c1)c1c(=O)[n-]c(N3CCCCC3)nc1N2	ZINC000022607019	526969727	/nfs/dbraw/zinc/96/97/27/526969727.db2.gz	ZUUAHFDCAHTCTI-KRWDZBQOSA-N	-1	3	394.450	3.464	40	30		GGEBHM
COc1ccc(NC(=O)COc2ccc(/C=N\[O-])cc2Br)cc1	ZINC000105570936	564968905	/nfs/dbraw/zinc/96/89/05/564968905.db2.gz	OHJPYRVORNUPIF-NVMNQCDNSA-N	-1	3	379.210	3.283	40	30		GGEBHM
Cc1ccc2cc(C#N)c(NCC[N-]S(=O)(=O)c3ccccc3F)nc2c1C	ZINC000035291926	570304775	/nfs/dbraw/zinc/30/47/75/570304775.db2.gz	RXUUJKLVRKNONW-UHFFFAOYSA-N	-1	3	398.463	3.253	40	30		GGEBHM
CC(C)=C1Oc2c(ccc([O-])c2CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)C1=O	ZINC000218014578	570323814	/nfs/dbraw/zinc/32/38/14/570323814.db2.gz	DTCXQLQILFRBER-LSDHHAIUSA-N	-1	3	392.455	3.042	40	30		GGEBHM
C=CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)cc1	ZINC000223951394	570344778	/nfs/dbraw/zinc/34/47/78/570344778.db2.gz	DHACZUAWMPZZFW-UHFFFAOYSA-N	-1	3	386.473	3.351	40	30		GGEBHM
COC(=O)c1sc([N-]C(=S)NC(=O)c2cc(C)cc(C)c2)c(C#N)c1C	ZINC000017079123	570926541	/nfs/dbraw/zinc/92/65/41/570926541.db2.gz	PEULLJRZJSLSSX-UHFFFAOYSA-N	-1	3	387.486	3.458	40	30		GGEBHM
CC1=C[C@](O)(C(F)(F)C(F)(F)C(F)(F)F)N(C(=O)c2ccccc2[O-])N1	ZINC000059366446	1407920699	/nfs/dbraw/zinc/92/06/99/1407920699.db2.gz	FKFUOFIXDSWRRE-NSHDSACASA-N	-1	3	388.239	3.136	40	30		GGEBHM
COc1cccc(C(C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)=N[O-])c1	ZINC000252679224	1433864247	/nfs/dbraw/zinc/86/42/47/1433864247.db2.gz	JRQDNYRAOVPLFL-KRWDZBQOSA-N	-1	3	384.432	3.230	40	30	biogenic	GGEBHM
COCc1cc(C)nc(N=NCc2ccc([O-])c(Br)c2)c1C#N	ZINC000059433705	230944254	/nfs/dbraw/zinc/94/42/54/230944254.db2.gz	ZPWIDNSUSSBADP-UFWORHAWSA-N	-1	3	375.226	3.322	40	30		GGEBHM
Fc1ccccc1[N-]c1nc2nonc2nc1N=NCc1cccc(Cl)c1	ZINC000408973958	231139610	/nfs/dbraw/zinc/13/96/10/231139610.db2.gz	RQDJZNGMCQBIPA-AWQFTUOYSA-N	-1	3	383.774	3.417	40	30		GGEBHM
COc1ccc(NC(=O)[C@@H]2CC(=O)[N-]/C(=N/N=C(\C)c3ccccc3)S2)cc1	ZINC000013424201	524592000	/nfs/dbraw/zinc/59/20/00/524592000.db2.gz	KODOFRRINHZWSV-WQGFDPGOSA-N	-1	3	396.472	3.036	40	30		GGEBHM
C=CCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1	ZINC000408588373	526575012	/nfs/dbraw/zinc/57/50/12/526575012.db2.gz	FSQVIXFJCLIWRA-UHFFFAOYSA-N	-1	3	394.880	3.130	40	30		GGEBHM
O=C1CCCC2=C1[C@@H](c1ccc(F)cc1)c1c(=O)[n-]c(N3CCCCC3)nc1N2	ZINC000019820012	526966638	/nfs/dbraw/zinc/96/66/38/526966638.db2.gz	ZQGULBBCUJKLDN-QGZVFWFLSA-N	-1	3	394.450	3.464	40	30		GGEBHM
O=C1CCCC2=C1[C@@H](c1cccc(F)c1)c1c(=O)[n-]c(N3CCCCC3)nc1N2	ZINC000022607017	526968275	/nfs/dbraw/zinc/96/82/75/526968275.db2.gz	ZUUAHFDCAHTCTI-QGZVFWFLSA-N	-1	3	394.450	3.464	40	30		GGEBHM
C=CCn1c(SCN2C(=O)c3ccccc3C2=O)nnc1-c1ccccc1[O-]	ZINC000408541781	527339590	/nfs/dbraw/zinc/33/95/90/527339590.db2.gz	DSDVKWIVMLANSG-UHFFFAOYSA-N	-1	3	392.440	3.183	40	30		GGEBHM
Cc1cc(Cl)c(S(=O)(=O)[N-]NC2=CC(=O)CC(C)(C)C2)c(Cl)c1	ZINC000000849598	564181644	/nfs/dbraw/zinc/18/16/44/564181644.db2.gz	USYYKBJLJICVPE-UHFFFAOYSA-N	-1	3	377.293	3.358	40	30		GGEBHM
[O-]c1ccc(Br)cc1C=NNC(=S)Nc1ccc2c[nH]nc2c1	ZINC000004822277	564207230	/nfs/dbraw/zinc/20/72/30/564207230.db2.gz	IPTWKVRBGZADAS-LSCVHKIXSA-N	-1	3	390.266	3.352	40	30		GGEBHM
O=[N+]([O-])c1ccc(N=NCc2cc(Br)ccc2[O-])c([N+](=O)[O-])c1	ZINC000005511843	564217794	/nfs/dbraw/zinc/21/77/94/564217794.db2.gz	DOCJUQMGOWERPU-VIZOYTHASA-N	-1	3	381.142	3.417	40	30		GGEBHM
C=CCOc1c(Cl)cc(/C=C2\SC([N-]C(C)=O)=NC2=O)cc1OCC	ZINC000409026776	565615045	/nfs/dbraw/zinc/61/50/45/565615045.db2.gz	XXPWJWBCBSNLMP-ZROIWOOFSA-N	-1	3	380.853	3.410	40	30		GGEBHM
C=CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1	ZINC000223788057	570329548	/nfs/dbraw/zinc/32/95/48/570329548.db2.gz	IVLIWTRPXLVTAG-UHFFFAOYSA-N	-1	3	376.434	3.019	40	30		GGEBHM
C=CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1	ZINC000224680236	570425702	/nfs/dbraw/zinc/42/57/02/570425702.db2.gz	GFDZNVVQDVVGMI-UHFFFAOYSA-N	-1	3	398.484	3.351	40	30		GGEBHM
COc1ccc(/C=N/N=C2\SC(CC(=O)[O-])C(=O)N2c2ccc(C)cc2)cc1	ZINC000059475393	570657888	/nfs/dbraw/zinc/65/78/88/570657888.db2.gz	UCFFHQHCPQAVLD-ZVEOTGLXSA-N	-1	3	397.456	3.317	40	30		GGEBHM
CN(C)S(=O)(=O)c1cc(/N=C/c2ccccc2[O-])ccc1N1CCCCC1	ZINC000059489797	570658658	/nfs/dbraw/zinc/65/86/58/570658658.db2.gz	DTNUAPSDVCOLIO-RCCKNPSSSA-N	-1	3	387.505	3.383	40	30		GGEBHM
CC1=C[C@@](O)(C(F)(F)C(F)(F)C(F)(F)F)N(C(=O)c2ccccc2[O-])N1	ZINC000059366445	1407920802	/nfs/dbraw/zinc/92/08/02/1407920802.db2.gz	FKFUOFIXDSWRRE-LLVKDONJSA-N	-1	3	388.239	3.136	40	30		GGEBHM
O=[N+]([O-])c1ccc(NNC=CC([O-])(C(F)(F)F)C(F)(F)F)c([N+](=O)[O-])c1	ZINC000006511512	204181588	/nfs/dbraw/zinc/18/15/88/204181588.db2.gz	XZQOIJPSUCREFO-JJPRUIFNSA-N	-1	3	390.196	3.147	40	30		GGEBHM
COc1ccc(C(=O)NC(=S)[N-]c2sc(C)c(C)c2C#N)cc1OC	ZINC000408627993	533319696	/nfs/dbraw/zinc/31/96/96/533319696.db2.gz	PDOLIQNZNMBTQQ-UHFFFAOYSA-N	-1	3	375.475	3.381	40	30		GGEBHM
COC(=O)c1[n-]c(=NN=Cc2cccc([N+](=O)[O-])c2)sc1-c1ccccc1	ZINC000033766520	524020035	/nfs/dbraw/zinc/02/00/35/524020035.db2.gz	DQHJLRYAQAAVPJ-ODLFYWEKSA-N	-1	3	382.401	3.373	40	30		GGEBHM
Cc1ccc(NC2=NC3(CCN(Cc4ccccc4)CC3)C(C#N)=C([O-])N2)cc1	ZINC000020673361	525269846	/nfs/dbraw/zinc/26/98/46/525269846.db2.gz	KOBOBMAPZVGNTO-HXUWFJFHSA-N	-1	3	387.487	3.067	40	30		GGEBHM
C/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)c3c(C)cc([O-])cc3OC)C(=O)C2=CO1	ZINC000014594464	560222806	/nfs/dbraw/zinc/22/28/06/560222806.db2.gz	VRWFEVIVOZKBJA-BDNZGDGKSA-N	-1	3	396.395	3.077	40	30	biogenic,in-vitro	GGEBHM
O=[N+]([O-])c1ccc(NN=Cc2cc(I)ccc2[O-])cc1	ZINC000016427896	564293800	/nfs/dbraw/zinc/29/38/00/564293800.db2.gz	HERJICJLCGEVBR-OVCLIPMQSA-N	-1	3	383.145	3.351	40	30		GGEBHM
COc1ccc(C(=O)NC(=S)[N-]c2sc(C)c(C)c2C#N)c(OC)c1	ZINC000059294601	564692598	/nfs/dbraw/zinc/69/25/98/564692598.db2.gz	NZKSGXFUVNHENB-UHFFFAOYSA-N	-1	3	375.475	3.381	40	30		GGEBHM
C=CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1	ZINC000223847949	570330924	/nfs/dbraw/zinc/33/09/24/570330924.db2.gz	ARDUNFFZQYQJNP-UHFFFAOYSA-N	-1	3	386.473	3.351	40	30		GGEBHM
COc1ccc(/C=N/N=C2\SC(CC(=O)[O-])C(=O)N2c2ccc(C)cc2)cc1	ZINC000059475394	570657870	/nfs/dbraw/zinc/65/78/70/570657870.db2.gz	UCFFHQHCPQAVLD-RTLPLECASA-N	-1	3	397.456	3.317	40	30		GGEBHM
[O-]c1ccc(Cl)cc1C=Nn1cnnc1N=NCc1cc(Cl)ccc1O	ZINC000016384783	230895554	/nfs/dbraw/zinc/89/55/54/230895554.db2.gz	MUOGICNIUPCTQP-XQYLSFQXSA-N	-1	3	391.218	3.324	40	30		GGEBHM
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O)cc1[O-]	ZINC000409305841	529748494	/nfs/dbraw/zinc/74/84/94/529748494.db2.gz	NQHJUXZIOHMNCG-UHFFFAOYSA-N	-1	3	388.221	3.015	40	30		GGEBHM
N#Cc1cnn2c1[nH]c(CSc1nnc([N-]c3ccccc3F)s1)cc2=O	ZINC000040114187	207341411	/nfs/dbraw/zinc/34/14/11/207341411.db2.gz	UCWWZAQTJZGLPV-UHFFFAOYSA-N	-1	3	399.436	3.333	40	30		GGEBHM
N#Cc1c([N-]C(=S)NC(=O)c2ccc3c(c2)OCO3)sc2c1CCCC2	ZINC000032127171	207394352	/nfs/dbraw/zinc/39/43/52/207394352.db2.gz	NXHRIQUHNHARDR-UHFFFAOYSA-N	-1	3	385.470	3.354	40	30		GGEBHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2c(cc(F)cc2F)s1	ZINC000007990454	221022419	/nfs/dbraw/zinc/02/24/19/221022419.db2.gz	LTYHRNHTCFTVHM-UHFFFAOYSA-N	-1	3	388.399	3.323	40	30		GGEBHM
C=C(Cl)COC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F	ZINC000032667950	518651638	/nfs/dbraw/zinc/65/16/38/518651638.db2.gz	OABOSCUAQFVRIE-MRXNPFEDSA-N	-1	3	397.855	3.011	40	30		GGEBHM
C=CCOc1ccc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc1Br	ZINC000032109984	519015264	/nfs/dbraw/zinc/01/52/64/519015264.db2.gz	KXCUKJAEPQIDCT-MDWZMJQESA-N	-1	3	381.251	3.120	40	30		GGEBHM
C=CCOc1ccc(C(=O)OCC(=O)[N-]c2cc(C(C)(C)C)no2)cc1OC	ZINC000022002363	519027839	/nfs/dbraw/zinc/02/78/39/519027839.db2.gz	UJBOKLNEKHFABH-UHFFFAOYSA-N	-1	3	388.420	3.341	40	30		GGEBHM
Cn1c2ccccc2c2nnc(N=NCc3cc(Br)ccc3[O-])nc21	ZINC000005331210	564215218	/nfs/dbraw/zinc/21/52/18/564215218.db2.gz	DOZMGSHFKLKFEN-DJKKODMXSA-N	-1	3	397.236	3.431	40	30		GGEBHM
CC/N=C1/S/C(=C/c2cc(Br)c([O-])c(OC)c2)C(=O)N1CC	ZINC000005823478	564219773	/nfs/dbraw/zinc/21/97/73/564219773.db2.gz	IGFDMHMHOCBCGD-MSEWRAJFSA-N	-1	3	385.283	3.475	40	30		GGEBHM
Cc1cc(I)cc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)c1[O-]	ZINC000006202603	564221433	/nfs/dbraw/zinc/22/14/33/564221433.db2.gz	PWLNSPFZXGEEOR-REZTVBANSA-N	-1	3	393.184	3.225	40	30		GGEBHM
C#CCN1C(=O)S/C(=C/c2cc(Br)c([O-])c(OCC)c2)C1=O	ZINC000006387761	564223134	/nfs/dbraw/zinc/22/31/34/564223134.db2.gz	ANLYVKGMFZKEJT-XYOKQWHBSA-N	-1	3	382.235	3.223	40	30		GGEBHM
COc1ccc(CN/N=C/c2cc(Br)c([O-])c(OC)c2)cc1OC	ZINC000020195755	564305355	/nfs/dbraw/zinc/30/53/55/564305355.db2.gz	BQJLFRUMAPNERU-KEBDBYFISA-N	-1	3	395.253	3.304	40	30		GGEBHM
O=S(=O)(c1ccc(/N=C/c2c([O-])ccc3ccccc32)cc1)N1CCOCC1	ZINC000002707807	570295610	/nfs/dbraw/zinc/29/56/10/570295610.db2.gz	VPBAYMFXFHGSIY-PXLXIMEGSA-N	-1	3	396.468	3.317	40	30		GGEBHM
O=C1[N-]/C(=N\N=C\c2c3ccccc3[nH]c2-c2ccccc2)S[C@@H]1CCO	ZINC000027642336	570437877	/nfs/dbraw/zinc/43/78/77/570437877.db2.gz	POPGYYIMLJOIBQ-KKJJZKEWSA-N	-1	3	378.457	3.139	40	30		GGEBHM
O=[N+]([O-])c1ccc(NNC=CC([O-])(C(F)(F)F)C(F)(F)F)c([N+](=O)[O-])c1	ZINC000005854366	570459329	/nfs/dbraw/zinc/45/93/29/570459329.db2.gz	XZQOIJPSUCREFO-LMXLVEHLSA-N	-1	3	390.196	3.147	40	30		GGEBHM
CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2ccc([O-])cc2)C1=O	ZINC000409052177	570695982	/nfs/dbraw/zinc/69/59/82/570695982.db2.gz	GMKFYHZNIWXVCR-VBKFSLOCSA-N	-1	3	395.436	3.254	40	30		GGEBHM
COc1cc([O-])c(/C=N/NC(=S)NC23CC4CC(CC(C4)C2)C3)c(OC)c1	ZINC000016922615	570935200	/nfs/dbraw/zinc/93/52/00/570935200.db2.gz	OUKWFUSKOWXBMF-SRZZPIQSSA-N	-1	3	389.521	3.176	40	30		GGEBHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1ccc(OC(F)F)cc1	ZINC000008751176	1398845329	/nfs/dbraw/zinc/84/53/29/1398845329.db2.gz	VEXRZSYUNFFFKL-UHFFFAOYSA-N	-1	3	389.402	3.056	40	30		GGEBHM
COc1cc(/C=N\[O-])cc(I)c1OCc1cccnc1	ZINC000226321570	1433368515	/nfs/dbraw/zinc/36/85/15/1433368515.db2.gz	DLIAHUACBMWDHL-IUXPMGMMSA-N	-1	3	384.173	3.082	40	30		GGEBHM
C=CCn1cc(CN2CCc3nc(N4CCCC4)[n-]c(=O)c3C2)c2ccccc21	ZINC000019016171	209173580	/nfs/dbraw/zinc/17/35/80/209173580.db2.gz	KBPMQBCJUFZKHY-UHFFFAOYSA-N	-1	3	389.503	3.069	40	30		GGEBHM
C=C(C)Cn1nc(C)c(CN2CCc3nc(-c4ccccn4)[n-]c(=O)c3C2)c1C	ZINC000012122809	209165178	/nfs/dbraw/zinc/16/51/78/209165178.db2.gz	OSIHEWKLZUSAJQ-UHFFFAOYSA-N	-1	3	390.491	3.192	40	30		GGEBHM
C=C(C)Cn1nc(C)c(CN2CCc3nc(-c4ccncc4)[n-]c(=O)c3C2)c1C	ZINC000012121913	209163352	/nfs/dbraw/zinc/16/33/52/209163352.db2.gz	AMZNDAOJSZDJIK-UHFFFAOYSA-N	-1	3	390.491	3.192	40	30		GGEBHM
C=CCN(Cc1cccs1)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1	ZINC000014233991	518791597	/nfs/dbraw/zinc/79/15/97/518791597.db2.gz	JHACYHKNRAPNPX-UHFFFAOYSA-N	-1	3	389.502	3.329	40	30		GGEBHM
COC(=O)c1ccc(SCC/C(CN2C(=O)c3ccccc3C2=O)=N\[O-])cc1	ZINC000017122770	522158605	/nfs/dbraw/zinc/15/86/05/522158605.db2.gz	MRWUVRKFROOQHI-KGENOOAVSA-N	-1	3	398.440	3.082	40	30		GGEBHM
N#Cc1c2c(sc1NC(=O)CSc1n[n-]c(-c3ccccn3)n1)CCCC2	ZINC000408583514	534766791	/nfs/dbraw/zinc/76/67/91/534766791.db2.gz	VHVDJAJFNFTGMO-UHFFFAOYSA-N	-1	3	396.501	3.409	40	30		GGEBHM
C=CCN1C(=O)S/C(=C\c2ccc([O-])c(I)c2)C1=O	ZINC000408962364	526408189	/nfs/dbraw/zinc/40/81/89/526408189.db2.gz	HUEXTMXZMUFTAO-XFFZJAGNSA-N	-1	3	387.198	3.219	40	30		GGEBHM
C=CCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C	ZINC000408676421	526575144	/nfs/dbraw/zinc/57/51/44/526575144.db2.gz	NTXBEVNQOAVPMI-UHFFFAOYSA-N	-1	3	394.880	3.130	40	30		GGEBHM
O=C1CCCC2=C1[C@H](c1ccc(F)cc1)c1c(=O)[n-]c(N3CCCCC3)nc1N2	ZINC000019820014	526967612	/nfs/dbraw/zinc/96/76/12/526967612.db2.gz	ZQGULBBCUJKLDN-KRWDZBQOSA-N	-1	3	394.450	3.464	40	30		GGEBHM
C=CCn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1ccccc1[O-]	ZINC000408599636	527336589	/nfs/dbraw/zinc/33/65/89/527336589.db2.gz	INQSZFKJJPWOOJ-UHFFFAOYSA-N	-1	3	391.456	3.439	40	30		GGEBHM
C=CCn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1ccccc1[O-]	ZINC000409411543	527337630	/nfs/dbraw/zinc/33/76/30/527337630.db2.gz	IXADEBBHIHBSKQ-UHFFFAOYSA-N	-1	3	391.456	3.439	40	30		GGEBHM
C[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3c(Cl)cnn3C)sc2C1	ZINC000000832647	564181503	/nfs/dbraw/zinc/18/15/03/564181503.db2.gz	CIKOSTXPDOEJJV-QMMMGPOBSA-N	-1	3	393.925	3.258	40	30		GGEBHM
Cn1cc(Cl)c(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CCCCC3)n1	ZINC000000832655	564181577	/nfs/dbraw/zinc/18/15/77/564181577.db2.gz	JYDNBCPJVQPHFK-UHFFFAOYSA-N	-1	3	393.925	3.402	40	30	aggregator	GGEBHM
N#Cc1c(NC(=O)COC(=O)c2ccc(Cl)cc2[O-])sc2c1CCC2	ZINC000007199524	564233541	/nfs/dbraw/zinc/23/35/41/564233541.db2.gz	WGKOOSAWOJNGBO-UHFFFAOYSA-N	-1	3	376.821	3.263	40	30		GGEBHM
COc1cccc(OC)c1C(=O)NC(=S)[N-]c1sc(C)c(C)c1C#N	ZINC000008332697	564248563	/nfs/dbraw/zinc/24/85/63/564248563.db2.gz	MUVQESLMTHVQMZ-UHFFFAOYSA-N	-1	3	375.475	3.381	40	30		GGEBHM
N#Cc1c2c(sc1[N-]C(=S)NC(=O)c1ccc3nsnc3c1)CCC2	ZINC000057315862	564665304	/nfs/dbraw/zinc/66/53/04/564665304.db2.gz	JSYAOOWQPOSNLW-UHFFFAOYSA-N	-1	3	385.499	3.240	40	30		GGEBHM
CCOc1cc(/C=N\[O-])cc(I)c1OCc1cccnc1	ZINC000226321580	565919426	/nfs/dbraw/zinc/91/94/26/565919426.db2.gz	OTEIQTQGBXNTBQ-NVMNQCDNSA-N	-1	3	398.200	3.472	40	30		GGEBHM
Cc1ccc(S(=O)(=O)CC(=O)C=C([O-])[C@H](C#N)c2cccc(Cl)c2)cc1	ZINC000104273498	570300265	/nfs/dbraw/zinc/30/02/65/570300265.db2.gz	JANIZMKGYFLLAP-GOSISDBHSA-N	-1	3	389.860	3.258	40	30		GGEBHM
Cc1ccc(S(=O)(=O)CC([O-])=CC(=O)[C@H](C#N)c2cccc(Cl)c2)cc1	ZINC000104273498	570300268	/nfs/dbraw/zinc/30/02/68/570300268.db2.gz	JANIZMKGYFLLAP-GOSISDBHSA-N	-1	3	389.860	3.258	40	30		GGEBHM
COc1ccc([N+](=O)[O-])cc1C=N[N-]c1nnc2c3cccc(C)c3[nH]c2n1	ZINC000004322748	570367954	/nfs/dbraw/zinc/36/79/54/570367954.db2.gz	VSLOONXXECZZBX-DJKKODMXSA-N	-1	3	377.364	3.177	40	30		GGEBHM
COc1cc([O-])c(/C=N\NC(=S)NC23CC4CC(CC(C4)C2)C3)c(OC)c1	ZINC000005048234	570425984	/nfs/dbraw/zinc/42/59/84/570425984.db2.gz	OUKWFUSKOWXBMF-NHDPSOOVSA-N	-1	3	389.521	3.176	40	30		GGEBHM
COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c([N+](=O)[O-])cc1[O-]	ZINC000005879688	570460117	/nfs/dbraw/zinc/46/01/17/570460117.db2.gz	RDMVMRNIVXRKQS-VIZOYTHASA-N	-1	3	389.364	3.340	40	30		GGEBHM
COc1cccc(/C(C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)=N/[O-])c1	ZINC000020111740	570941198	/nfs/dbraw/zinc/94/11/98/570941198.db2.gz	JRQDNYRAOVPLFL-JMMZKRSASA-N	-1	3	384.432	3.230	40	30		GGEBHM
N#Cc1c2c(sc1[N-]C(=S)NC(=O)c1ccc3c(c1)OCCO3)CCC2	ZINC000408622216	231084026	/nfs/dbraw/zinc/08/40/26/231084026.db2.gz	OPYVZPKEXBLZAP-UHFFFAOYSA-N	-1	3	385.470	3.006	40	30		GGEBHM
O=[N+]([O-])c1ccc(NN=Cc2ccc([O-])c(I)c2)cc1	ZINC000408905327	231128222	/nfs/dbraw/zinc/12/82/22/231128222.db2.gz	XHFNXHGDNCVDRM-OVCLIPMQSA-N	-1	3	383.145	3.351	40	30		GGEBHM
COCc1cc(C)nc(SCC(=O)Nc2ccc(Cl)cc2[O-])c1C#N	ZINC000409411327	231202866	/nfs/dbraw/zinc/20/28/66/231202866.db2.gz	GFXPQQSWURCLEV-UHFFFAOYSA-N	-1	3	377.853	3.498	40	30		GGEBHM
C/N=c1\scc(-c2ccc(O)cc2[O-])n1/N=C/c1cnn(-c2ccccc2)c1	ZINC000012796160	212097683	/nfs/dbraw/zinc/09/76/83/212097683.db2.gz	NNHNPBLSBOQZDO-QNJJWZETSA-N	-1	3	391.456	3.226	40	30		GGEBHM
COc1cc(OC)cc(C(=O)NC(=S)[N-]c2sc(C)c(C)c2C#N)c1	ZINC000408628186	533064804	/nfs/dbraw/zinc/06/48/04/533064804.db2.gz	QMOBPOBSBMRCME-UHFFFAOYSA-N	-1	3	375.475	3.381	40	30		GGEBHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cccc(C(F)(F)F)c1	ZINC000007989520	221021504	/nfs/dbraw/zinc/02/15/04/221021504.db2.gz	MRIBTIRIEPJTKC-UHFFFAOYSA-N	-1	3	377.366	3.131	40	30		GGEBHM
C/C=C/C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(C)cc([O-])cc3OC)C(=O)C2=CO1	ZINC000014594465	221312338	/nfs/dbraw/zinc/31/23/38/221312338.db2.gz	VRWFEVIVOZKBJA-IOUFHMPJSA-N	-1	3	396.395	3.077	40	30	biogenic,in-vitro	GGEBHM
CC([O-])=C(N=Nc1ccc(Br)cc1)S(=O)(=O)c1ccccc1	ZINC000016138727	221357766	/nfs/dbraw/zinc/35/77/66/221357766.db2.gz	LDINAJHTXFONQO-OBGWFSINSA-N	-1	3	381.251	3.237	40	30		GGEBHM
CC(=O)/C(=N\[N-]c1ccc(Br)cc1)S(=O)(=O)c1ccccc1	ZINC000016138727	221357768	/nfs/dbraw/zinc/35/77/68/221357768.db2.gz	LDINAJHTXFONQO-OBGWFSINSA-N	-1	3	381.251	3.237	40	30		GGEBHM
COc1c(F)c(F)c(C(=O)NC(=S)[N-]c2ccccc2C#N)c(F)c1F	ZINC000408628165	533427370	/nfs/dbraw/zinc/42/73/70/533427370.db2.gz	QDVLDPKATWGLNP-UHFFFAOYSA-N	-1	3	383.326	3.250	40	30		GGEBHM
COc1cc(Br)c([O-])c(C=NNc2nc3ccccc3n2C)c1	ZINC000408662323	533487010	/nfs/dbraw/zinc/48/70/10/533487010.db2.gz	RHOXOOVRVFPJNB-GIJQJNRQSA-N	-1	3	375.226	3.496	40	30		GGEBHM
C=CCOc1ccc(Br)cc1/C=C1/SC([N-]C(C)=O)=NC1=O	ZINC000032109964	519019264	/nfs/dbraw/zinc/01/92/64/519019264.db2.gz	NPVCRLBFQHAHPM-MDWZMJQESA-N	-1	3	381.251	3.120	40	30		GGEBHM
C=CCOc1ccccc1CN1CCc2c(nc(N3CCC(C)CC3)[n-]c2=O)C1	ZINC000019496968	519069799	/nfs/dbraw/zinc/06/97/99/519069799.db2.gz	ZWRQVZNAIFQEHQ-UHFFFAOYSA-N	-1	3	394.519	3.129	40	30		GGEBHM
C=CCn1c(-c2ccc([O-])c(C(N)=O)c2)cs/c1=N/c1ccc(OC)cc1	ZINC000102962618	519148874	/nfs/dbraw/zinc/14/88/74/519148874.db2.gz	CGYPFYLHABZPLX-LSDHQDQOSA-N	-1	3	381.457	3.448	40	30		GGEBHM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC#N)cc2)cc1OCC	ZINC000017319970	521209764	/nfs/dbraw/zinc/20/97/64/521209764.db2.gz	NBUKRGJOZHFZOZ-UHFFFAOYSA-N	-1	3	376.434	3.187	40	30		GGEBHM
COc1cc(/C=N/n2c(-c3ccc(O)cc3[O-])cs/c2=N/C2CC2)ccc1O	ZINC000102836277	522000882	/nfs/dbraw/zinc/00/08/82/522000882.db2.gz	CESNDGDYVVCVLV-DEJMSADOSA-N	-1	3	397.456	3.287	40	30		GGEBHM
COc1ccc(C=NN=c2nc(NN=Cc3ccc(OC)cc3)c(C)n[n-]2)cc1	ZINC000027579489	523448838	/nfs/dbraw/zinc/44/88/38/523448838.db2.gz	JCSDCOYFMQGAGV-ADYPVIEZSA-N	-1	3	391.435	3.089	40	30		GGEBHM
C[C@H](Cc1ccccc1)NC(=O)CO/N=C/c1cc(Br)ccc1[O-]	ZINC000005696623	524726052	/nfs/dbraw/zinc/72/60/52/524726052.db2.gz	QEVIABANTNSQCU-AYPRBGQRSA-N	-1	3	391.265	3.253	40	30		GGEBHM
N#Cc1ccccc1[N-]C(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000408627988	534818285	/nfs/dbraw/zinc/81/82/85/534818285.db2.gz	PCUYFHFOSHWWPS-UHFFFAOYSA-N	-1	3	395.444	3.193	40	30		GGEBHM
C[C@@H](Cc1ccccc1)NC(=O)CO/N=C/c1cc(Br)ccc1[O-]	ZINC000005662435	524913287	/nfs/dbraw/zinc/91/32/87/524913287.db2.gz	QEVIABANTNSQCU-HSWQHBDASA-N	-1	3	391.265	3.253	40	30		GGEBHM
CSc1nnc(C(C)(C)C)c(=O)n1/N=C/c1cc(Br)ccc1[O-]	ZINC000028114241	526226972	/nfs/dbraw/zinc/22/69/72/526226972.db2.gz	MBVIMBIUMASLQV-CAOOACKPSA-N	-1	3	397.298	3.008	40	30		GGEBHM
[O-]c1ccc(Cl)cc1/C=N\N1CCN(/N=C\c2cc(Cl)ccc2O)CC1	ZINC000004990735	526347256	/nfs/dbraw/zinc/34/72/56/526347256.db2.gz	YLVBILUZOVUXKN-IINORCHSSA-N	-1	3	393.274	3.390	40	30		GGEBHM
Cc1sc2ncn(/N=C/c3cc(Br)ccc3[O-])c(=O)c2c1C	ZINC000020932944	526898087	/nfs/dbraw/zinc/89/80/87/526898087.db2.gz	VPIQRIAVEZIOKS-NGYBGAFCSA-N	-1	3	378.251	3.425	40	30		GGEBHM
C=CCn1c(Sc2ccc([N+](=O)[O-])c3nonc32)nnc1-c1ccccc1[O-]	ZINC000408607793	527347267	/nfs/dbraw/zinc/34/72/67/527347267.db2.gz	USRVQKRMUXAEAB-UHFFFAOYSA-N	-1	3	396.388	3.432	40	30		GGEBHM
CCN(CC)c1ccc(/C=N\[O-])c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	ZINC000409062908	528293657	/nfs/dbraw/zinc/29/36/57/528293657.db2.gz	CSKSOCDORKBRLI-NDENLUEZSA-N	-1	3	386.408	3.267	40	30		GGEBHM
CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2ccccc2[O-])C1=O	ZINC000409051218	528618430	/nfs/dbraw/zinc/61/84/30/528618430.db2.gz	JHTNZHHEBHSFAI-VBKFSLOCSA-N	-1	3	395.436	3.254	40	30		GGEBHM
C[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3c(Cl)cnn3C)sc2C1	ZINC000000832648	564181281	/nfs/dbraw/zinc/18/12/81/564181281.db2.gz	CIKOSTXPDOEJJV-MRVPVSSYSA-N	-1	3	393.925	3.258	40	30		GGEBHM
Cn1ncc(Cl)c1C(=O)NC(=S)[N-]c1sc2c(c1C#N)CCCC2	ZINC000000832644	564181560	/nfs/dbraw/zinc/18/15/60/564181560.db2.gz	SKXBDIPJRINERL-UHFFFAOYSA-N	-1	3	379.898	3.012	40	30		GGEBHM
CCOc1cc(Br)cc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)c1[O-]	ZINC000003191039	564192993	/nfs/dbraw/zinc/19/29/93/564192993.db2.gz	IWFRXGXODAQTRT-QGMBQPNBSA-N	-1	3	376.210	3.474	40	30		GGEBHM
C=CCN1C(=O)/C(=C\c2cc(Br)ccc2[O-])C(C(=O)OC)=C1C	ZINC000006348216	564223345	/nfs/dbraw/zinc/22/33/45/564223345.db2.gz	BIJPCIITRGPOJV-LCYFTJDESA-N	-1	3	378.222	3.013	40	30		GGEBHM
COc1cc(C=NNc2nc3ccccc3n2C)cc(Br)c1[O-]	ZINC000007343330	564236397	/nfs/dbraw/zinc/23/63/97/564236397.db2.gz	OQBQAWVGAFCPIC-GIJQJNRQSA-N	-1	3	375.226	3.496	40	30		GGEBHM
COc1cc(/C=N\[O-])cc(Br)c1OCC(=O)Nc1ccc(F)cc1	ZINC000107955226	565004440	/nfs/dbraw/zinc/00/44/40/565004440.db2.gz	GESKOBHGLSHQMZ-UWVJOHFNSA-N	-1	3	397.200	3.422	40	30		GGEBHM
COc1ccc(CN/N=C(\C)c2cc(Br)c(O)cc2[O-])cc1OC	ZINC000216057780	565896227	/nfs/dbraw/zinc/89/62/27/565896227.db2.gz	BJLDUJKKVHPRPS-KEBDBYFISA-N	-1	3	395.253	3.391	40	30		GGEBHM
C=C(Cl)COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F	ZINC000022987847	570379878	/nfs/dbraw/zinc/37/98/78/570379878.db2.gz	OABOSCUAQFVRIE-INIZCTEOSA-N	-1	3	397.855	3.011	40	30		GGEBHM
COc1ccccc1-c1nc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)n[n-]1	ZINC000052779054	570817398	/nfs/dbraw/zinc/81/73/98/570817398.db2.gz	ASUBCKVSHMTPBD-ZDUSSCGKSA-N	-1	3	377.404	3.121	40	30		GGEBHM