smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1COc1c(Cl)cc(/C=N\[O-])cc1Br ZINC000216910685 210170999 /nfs/dbraw/zinc/17/09/99/210170999.db2.gz LOFBNTCUGOJZIR-LSCVHKIXSA-N -1 3 354.631 4.798 40 30 FJEBHM Cc1ccc2[nH]c(=NN=Cc3cc(Br)ccc3[O-])sc2c1 ZINC000226096153 206119330 /nfs/dbraw/zinc/11/93/30/206119330.db2.gz UHDFGRWZPQVOAH-CAOOACKPSA-N -1 3 362.252 4.519 40 30 FJEBHM O=C(C=C([O-])c1ccc(Cl)cc1)C(F)(F)C(F)(F)C(F)(F)F ZINC000100244424 222239140 /nfs/dbraw/zinc/23/91/40/222239140.db2.gz GUDUITNCMNVOMZ-WEVVVXLNSA-N -1 3 350.617 4.798 40 30 FJEBHM O=C(C=C([O-])C(F)(F)C(F)(F)C(F)(F)F)c1ccc(Cl)cc1 ZINC000100244424 222239142 /nfs/dbraw/zinc/23/91/42/222239142.db2.gz GUDUITNCMNVOMZ-WEVVVXLNSA-N -1 3 350.617 4.798 40 30 FJEBHM [O-]c1ccc2ccccc2c1/C=N\c1ccc(I)cc1 ZINC000100248213 570501982 /nfs/dbraw/zinc/50/19/82/570501982.db2.gz RUIMFQJQZHKUCC-ODLFYWEKSA-N -1 3 373.193 4.901 40 30 FJEBHM CC(=O)c1ccc(Cl)c(N=Cc2cc(Br)ccc2[O-])c1 ZINC000104220349 570521078 /nfs/dbraw/zinc/52/10/78/570521078.db2.gz GKVLOGMTKHPNRD-LSCVHKIXSA-N -1 3 352.615 4.761 40 30 FJEBHM Cc1ccc(/N=C2\S/C(=C/c3cc(Cl)ccc3[O-])C(=O)N2C)cc1 ZINC000408906727 570696977 /nfs/dbraw/zinc/69/69/77/570696977.db2.gz DJYJPGPERRODPY-FBPBHIITSA-N -1 3 358.850 4.588 40 30 FJEBHM CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccccc3[O-])c2C)c1 ZINC000408968085 570705109 /nfs/dbraw/zinc/70/51/09/570705109.db2.gz UEIOSOHWVYNZJL-UCQKPKSFSA-N -1 3 362.429 4.727 40 30 FJEBHM [O-]c1cc(Br)ccc1/C=N\c1ccc(N2CCCCC2)cc1 ZINC000017858074 570873612 /nfs/dbraw/zinc/87/36/12/570873612.db2.gz USJAQHQDLYPMHB-MOSHPQCFSA-N -1 3 359.267 4.896 40 30 FJEBHM C=CCc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc(OCC)c1[O-] ZINC000059679481 571092210 /nfs/dbraw/zinc/09/22/10/571092210.db2.gz ULHNBASGHGVVIN-RGVLZGJSSA-N -1 3 360.797 4.832 40 30 FJEBHM [O-]/N=C\c1ccc(OCc2ccc(F)cc2Cl)c(Br)c1 ZINC000216811194 571147556 /nfs/dbraw/zinc/14/75/56/571147556.db2.gz NDEBTWOIFNGYMH-WSVATBPTSA-N -1 3 358.594 4.629 40 30 FJEBHM CCOc1cc(-c2cc(-c3ccc(Cl)cc3)nc(N)c2C#N)ccc1[O-] ZINC000019866274 206328545 /nfs/dbraw/zinc/32/85/45/206328545.db2.gz BVNJRWLAORFTIF-UHFFFAOYSA-N -1 3 365.820 4.627 40 30 FJEBHM COc1cc(Br)cc(/C=N/C23CC4CC(CC(C4)C2)C3)c1[O-] ZINC000006453643 263345213 /nfs/dbraw/zinc/34/52/13/263345213.db2.gz QLYFEPJXXPZHQY-KEBDBYFISA-N -1 3 364.283 4.551 40 30 FJEBHM CCOc1cc(/C=N/NCc2c(Cl)cccc2Cl)cc(Cl)c1[O-] ZINC000009195339 263359864 /nfs/dbraw/zinc/35/98/64/263359864.db2.gz DHSWLTYXBVBSDN-DNTJNYDQSA-N -1 3 373.667 4.875 40 30 FJEBHM CCCCCCCCOc1ccc(/C=C2/SC([N-]C(C)=O)=NC2=O)cc1 ZINC000408540911 570528027 /nfs/dbraw/zinc/52/80/27/570528027.db2.gz WXKYYARBXGSMJD-NBVRZTHBSA-N -1 3 374.506 4.532 40 30 FJEBHM CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C\c3ccc(O)c([O-])c3)sc2C1 ZINC000409213213 570741401 /nfs/dbraw/zinc/74/14/01/570741401.db2.gz RNIRTKDZYWPNOU-MYSNOUKZSA-N -1 3 354.475 4.933 40 30 FJEBHM Cc1nn(-c2ccccc2)c(C)c1/N=C/c1cc(Br)ccc1[O-] ZINC000005378158 570776515 /nfs/dbraw/zinc/77/65/15/570776515.db2.gz OEHKZJTULBWYPL-RGVLZGJSSA-N -1 3 370.250 4.708 40 30 FJEBHM Cc1ccc(N=C/C=C/c2ccc(Br)c([N+](=O)[O-])c2)c([O-])c1 ZINC000254408238 571291936 /nfs/dbraw/zinc/29/19/36/571291936.db2.gz XBEGKMBQJCSNCI-FLGXVMQYSA-N -1 3 361.195 4.787 40 30 FJEBHM [O-]/N=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1 ZINC000108010524 571310821 /nfs/dbraw/zinc/31/08/21/571310821.db2.gz DTCKKWOEXISAIE-RGVLZGJSSA-N -1 3 356.219 4.989 40 30 FJEBHM CCCC(=O)Nc1ccc(/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000005501735 204212673 /nfs/dbraw/zinc/21/26/73/204212673.db2.gz IATLQDYKMKTOJA-YBFXNURJSA-N -1 3 361.239 4.644 40 30 FJEBHM [O-]c1c(/C=N\c2ccc(I)cc2)ccc2ccccc12 ZINC000100248428 570501972 /nfs/dbraw/zinc/50/19/72/570501972.db2.gz ADXBIGOSCFZVRF-ODLFYWEKSA-N -1 3 373.193 4.901 40 30 FJEBHM O=C1NC(=Nc2ccccc2Cl)S/C1=C/c1cc(Cl)ccc1[O-] ZINC000408722188 570676046 /nfs/dbraw/zinc/67/60/46/570676046.db2.gz QZZQIKSTIRWFLP-RIYZIHGNSA-N -1 3 365.241 4.591 40 30 FJEBHM [O-]c1c(Cl)cc(CN=Nc2ccc(C(F)(F)F)cn2)cc1Cl ZINC000409097014 570723153 /nfs/dbraw/zinc/72/31/53/570723153.db2.gz LUEHBHVCZVYMJQ-DENHBWNVSA-N -1 3 350.127 4.559 40 30 FJEBHM COC(=O)c1ccc(Cn2cc(/C=N\c3ccccc3[O-])c3ccccc32)o1 ZINC000409393636 570756335 /nfs/dbraw/zinc/75/63/35/570756335.db2.gz RQLFEYAKPBMDAH-FMCGGJTJSA-N -1 3 374.396 4.525 40 30 FJEBHM COC(=O)c1ccc(Cn2cc(/C=N/c3ccc([O-])cc3)c3ccccc32)o1 ZINC000409393114 570756550 /nfs/dbraw/zinc/75/65/50/570756550.db2.gz PAOKVIVBXJXYNW-FSJBWODESA-N -1 3 374.396 4.525 40 30 FJEBHM [O-]c1ccc(Cc2ccccc2)cc1/C=N/c1ccccc1N1CCOCC1 ZINC000032115443 571056808 /nfs/dbraw/zinc/05/68/08/571056808.db2.gz PFHNHKQDVOCBDP-XIEYBQDHSA-N -1 3 372.468 4.570 40 30 FJEBHM CCCCC(=O)Nc1cccc(/N=C/c2cc(Cl)cc(OC)c2[O-])c1 ZINC000006396812 571310291 /nfs/dbraw/zinc/31/02/91/571310291.db2.gz SEQPOYGLHRZTQR-CIAFOILYSA-N -1 3 360.841 4.934 40 30 FJEBHM CCOc1cc(/C=N\[O-])cc(Cl)c1OCc1ccc(F)cc1Cl ZINC000216826194 210162069 /nfs/dbraw/zinc/16/20/69/210162069.db2.gz MOUAPCKSMDFALY-ZBKNUEDVSA-N -1 3 358.196 4.918 40 30 FJEBHM Cc1ccc2occ(C=N[N-]c3nc4c(cccc4Cl)s3)c(=O)c2c1 ZINC000005618990 204218191 /nfs/dbraw/zinc/21/81/91/204218191.db2.gz CZBSDYOWBSYXJX-DNTJNYDQSA-N -1 3 369.833 4.811 40 30 FJEBHM Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccccc3[O-])c2)cc1C ZINC000409379812 263553356 /nfs/dbraw/zinc/55/33/56/263553356.db2.gz ZSJYOPBSKVOYKB-OYKKKHCWSA-N -1 3 374.440 4.777 40 30 FJEBHM Cc1ccc(N=C2NC(=O)/C(=C/c3c([O-])ccc4ccccc43)S2)cc1 ZINC000408529174 570509333 /nfs/dbraw/zinc/50/93/33/570509333.db2.gz GITJUMLFMSJTTF-UNOMPAQXSA-N -1 3 360.438 4.745 40 30 FJEBHM N#Cc1c(/N=C/c2ccc(O)c([O-])c2)oc(-c2ccco2)c1-c1ccco1 ZINC000409383012 570754453 /nfs/dbraw/zinc/75/44/53/570754453.db2.gz SRVDJNZWBQQQSO-SSDVNMTOSA-N -1 3 360.325 4.833 40 30 FJEBHM N#Cc1c(/N=C/c2ccc([O-])c(O)c2)oc(-c2ccco2)c1-c1ccco1 ZINC000409383012 570754454 /nfs/dbraw/zinc/75/44/54/570754454.db2.gz SRVDJNZWBQQQSO-SSDVNMTOSA-N -1 3 360.325 4.833 40 30 FJEBHM [O-]c1ccc(Br)cc1C=NNc1ccccc1C(F)(F)F ZINC000004934047 570920633 /nfs/dbraw/zinc/92/06/33/570920633.db2.gz CEDTZMBRPRQDHP-UFWORHAWSA-N -1 3 359.145 4.620 40 30 FJEBHM [O-]c1c(/C=N/c2ccc(I)cc2)ccc2ccccc12 ZINC000032101589 571056742 /nfs/dbraw/zinc/05/67/42/571056742.db2.gz ADXBIGOSCFZVRF-YBFXNURJSA-N -1 3 373.193 4.901 40 30 FJEBHM COc1ccc(/N=C/c2cc(Cl)cc(OC)c2[O-])cc1Br ZINC000006736681 204264649 /nfs/dbraw/zinc/26/46/49/204264649.db2.gz CZBQGORHRCDHQP-QGMBQPNBSA-N -1 3 370.630 4.576 40 30 FJEBHM N#Cc1cccc(N/C=C(\[O-])c2cc3c(ccc4ccccc43)oc2=O)c1 ZINC000101174643 205953868 /nfs/dbraw/zinc/95/38/68/205953868.db2.gz NUUQEXHZIPIDST-MOSHPQCFSA-N -1 3 354.365 4.786 40 30 FJEBHM CCOc1cc(/C=N\[O-])cc(Br)c1OCc1ccc(C)cc1 ZINC000100250312 210083637 /nfs/dbraw/zinc/08/36/37/210083637.db2.gz DENCQEHEXGHMEH-GRSHGNNSSA-N -1 3 364.239 4.543 40 30 FJEBHM CCC(=O)Nc1ccc(/N=C/c2cc(Br)cc(C)c2[O-])cc1 ZINC000005950721 204232478 /nfs/dbraw/zinc/23/24/78/204232478.db2.gz GMXCPSZZPUMTHX-VXLYETTFSA-N -1 3 361.239 4.562 40 30 FJEBHM CCOC(=O)c1ccc(/N=C\c2c3c(ccc2[O-])oc2c3CCCC2)cc1 ZINC000100216168 222239829 /nfs/dbraw/zinc/23/98/29/222239829.db2.gz JVRZHGUYZDWOGC-QRVIBDJDSA-N -1 3 363.413 4.945 40 30 FJEBHM CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc([O-])c3)c2C)cc1 ZINC000100212095 570759549 /nfs/dbraw/zinc/75/95/49/570759549.db2.gz RGZSGFRXCRFKMA-OEAKJJBVSA-N -1 3 362.429 4.727 40 30 FJEBHM Cc1ccc(/N=C2/NC(=O)/C(=C/c3cc(Cl)ccc3[O-])S2)c(C)c1 ZINC000059459399 571089204 /nfs/dbraw/zinc/08/92/04/571089204.db2.gz LWKLJINYPKJIIS-SXGWCWSVSA-N -1 3 358.850 4.554 40 30 FJEBHM CCc1ccccc1/N=C1\S/C(=C/c2cc(Cl)ccc2[O-])C(=O)N1C ZINC000038361081 571310767 /nfs/dbraw/zinc/31/07/67/571310767.db2.gz JNITWBXTSXXALD-SMSCYPBYSA-N -1 3 372.877 4.842 40 30 FJEBHM CCC(=NNc1ccccc1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1[O-] ZINC000014196878 210143651 /nfs/dbraw/zinc/14/36/51/210143651.db2.gz CTVNSXDIUPQGIG-LDADJPATSA-N -1 3 354.193 4.833 40 30 FJEBHM COc1cc(Br)cc(/C=N/c2ccc(Cl)cc2C)c1[O-] ZINC000002751407 206157462 /nfs/dbraw/zinc/15/74/62/206157462.db2.gz LJBSUCYNKHXDEM-QGMBQPNBSA-N -1 3 354.631 4.876 40 30 FJEBHM CCN(CC)c1ccc(C=[NH+][N-]c2cc(C)c3cc(C)ccc3n2)c([O-])c1 ZINC000005006892 263338038 /nfs/dbraw/zinc/33/80/38/263338038.db2.gz MGMNRJYUKHPHFX-OEAKJJBVSA-N -1 3 362.477 4.849 40 30 FJEBHM C=CCSc1nnc([N-]C(=O)c2cc3c(ccc4ccccc34)o2)s1 ZINC000225832164 519090779 /nfs/dbraw/zinc/09/07/79/519090779.db2.gz JHCJAINJTBGMMA-UHFFFAOYSA-N -1 3 367.455 4.968 40 30 FJEBHM [O-]c1cc(/C=N/c2ccc(-c3nnc(-c4ccccc4)o3)cc2)ccc1O ZINC000408718515 570673068 /nfs/dbraw/zinc/67/30/68/570673068.db2.gz UGOWXCOHZGWLLV-LPYMAVHISA-N -1 3 357.369 4.565 40 30 FJEBHM Cc1ccc(NC(=O)COc2cccc(/C=N/c3ccc([O-])cc3)c2)cc1C ZINC000409385265 570755103 /nfs/dbraw/zinc/75/51/03/570755103.db2.gz HBTKAUYSODJIKC-ZVHZXABRSA-N -1 3 374.440 4.777 40 30 FJEBHM Cc1ccc(/N=C/C=C/c2ccc(Br)c([N+](=O)[O-])c2)c([O-])c1 ZINC000016291070 570853768 /nfs/dbraw/zinc/85/37/68/570853768.db2.gz XBEGKMBQJCSNCI-QEGLIAJSSA-N -1 3 361.195 4.787 40 30 FJEBHM CC(C)c1cccc(C(C)C)c1NC(=O)CO/N=C/c1ccccc1[O-] ZINC000005522989 571069946 /nfs/dbraw/zinc/06/99/46/571069946.db2.gz QLNVRAFMVCGAOK-WSDLNYQXSA-N -1 3 354.450 4.628 40 30 FJEBHM Cc1ccccc1/N=C1/NC(=O)/C(=C/c2c([O-])ccc3ccccc32)S1 ZINC000059459387 571089304 /nfs/dbraw/zinc/08/93/04/571089304.db2.gz QJSLRNIWIWRZJI-UNOMPAQXSA-N -1 3 360.438 4.745 40 30 FJEBHM C=CCc1cc(/C=N/c2cc(C(=O)OC)ccc2Cl)cc(OCC)c1[O-] ZINC000059678239 571092432 /nfs/dbraw/zinc/09/24/32/571092432.db2.gz YNWKTQDRQLZSNQ-WSDLNYQXSA-N -1 3 373.836 4.710 40 30 FJEBHM CCCCCCCCCCOC(=O)N1C(=O)[N-]C(=O)[C@H]1c1ccccc1 ZINC000104136804 570520393 /nfs/dbraw/zinc/52/03/93/570520393.db2.gz MPKPNUYTYIQPJX-QGZVFWFLSA-N -1 3 360.454 4.557 40 30 FJEBHM [O-]c1ccc(Br)cc1/C=N/c1ccccc1N1CCCCC1 ZINC000006615559 570650243 /nfs/dbraw/zinc/65/02/43/570650243.db2.gz ZTFVRKKPPBJVJO-DEDYPNTBSA-N -1 3 359.267 4.896 40 30 FJEBHM [O-]c1c(C=Nc2ccc(I)cc2)ccc2ccccc12 ZINC000260840524 571124224 /nfs/dbraw/zinc/12/42/24/571124224.db2.gz ADXBIGOSCFZVRF-UHFFFAOYSA-N -1 3 373.193 4.901 40 30 FJEBHM CCN1C(=O)/C(=C\c2cc(Cl)ccc2[O-])S/C1=N\c1ccc(C)cc1 ZINC000008362961 571310550 /nfs/dbraw/zinc/31/05/50/571310550.db2.gz IKRHDPHXMUDHDE-SMSCYPBYSA-N -1 3 372.877 4.978 40 30 FJEBHM CCOc1ccc(N2[C@@H](C#N)c3ccccc3O[C@@H]2c2ccccc2[O-])cc1 ZINC000005011973 570617943 /nfs/dbraw/zinc/61/79/43/570617943.db2.gz MCWQQRGTBXLSTJ-NZQKXSOJSA-N -1 3 372.424 4.953 40 30 FJEBHM [O-]c1ccc(/C=N/c2ccc(-c3nnc(-c4ccccc4)o3)cc2)c(O)c1 ZINC000408718401 570672934 /nfs/dbraw/zinc/67/29/34/570672934.db2.gz LZHMRNZFMRIUIG-LPYMAVHISA-N -1 3 357.369 4.565 40 30 FJEBHM [O-]c1cc(O)ccc1/C=N/c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000408718401 570672936 /nfs/dbraw/zinc/67/29/36/570672936.db2.gz LZHMRNZFMRIUIG-LPYMAVHISA-N -1 3 357.369 4.565 40 30 FJEBHM COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc([O-])cc3)c2C)c(C)c1 ZINC000408932773 570700828 /nfs/dbraw/zinc/70/08/28/570700828.db2.gz DXEUTVYYCZCAJX-YDZHTSKRSA-N -1 3 362.429 4.645 40 30 FJEBHM COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(C)cc2)ccc1[O-] ZINC000059639215 571090760 /nfs/dbraw/zinc/09/07/60/571090760.db2.gz VRUDGGDATYKXPY-OEAKJJBVSA-N -1 3 357.413 4.775 40 30 FJEBHM CCOc1cc(/C=N\[O-])cc(Br)c1OCc1ccccc1C ZINC000103848063 222345321 /nfs/dbraw/zinc/34/53/21/222345321.db2.gz UCZHHFXJUXHYPS-GRSHGNNSSA-N -1 3 364.239 4.543 40 30 FJEBHM N#Cc1c([N-]C(=O)c2ncoc2-c2ccc(F)cc2)sc2c1CCCC2 ZINC000005001944 570675075 /nfs/dbraw/zinc/67/50/75/570675075.db2.gz RIAKPFUQYSYBIA-UHFFFAOYSA-N -1 3 367.405 4.545 40 30 FJEBHM [O-]/N=C/c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000011803756 570707069 /nfs/dbraw/zinc/70/70/69/570707069.db2.gz PVEACFCEUJSMPR-RGVLZGJSSA-N -1 3 356.219 4.989 40 30 FJEBHM CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccccc3[O-])c2C)cc1 ZINC000100212028 570759662 /nfs/dbraw/zinc/75/96/62/570759662.db2.gz PCUYFBZVZQNDRP-OEAKJJBVSA-N -1 3 362.429 4.727 40 30 FJEBHM COC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/c2ccc([O-])cc2)o1 ZINC000006579624 571296714 /nfs/dbraw/zinc/29/67/14/571296714.db2.gz YEKCNCGQJROWCX-SRZZPIQSSA-N -1 3 355.777 4.843 40 30 FJEBHM CCc1ccc(N=C2NC(=O)/C(=C\c3c([O-])ccc4ccccc43)S2)cc1 ZINC000408763355 570680583 /nfs/dbraw/zinc/68/05/83/570680583.db2.gz NBFVEZHPYGPCRR-DEDYPNTBSA-N -1 3 374.465 4.999 40 30 FJEBHM [O-]c1ccc(/C=N\c2ccc3ccccc3c2)cc1I ZINC000408903959 570696689 /nfs/dbraw/zinc/69/66/89/570696689.db2.gz BRVDFHQRRDRQPK-ODLFYWEKSA-N -1 3 373.193 4.901 40 30 FJEBHM CCn1nc(C)c(/N=C/c2c([O-])ccc3cc(Br)ccc32)c1C ZINC000408977154 570706648 /nfs/dbraw/zinc/70/66/48/570706648.db2.gz UPUDFSJDXCTOGM-KEBDBYFISA-N -1 3 372.266 4.892 40 30 FJEBHM Cc1sc([N-]C(=S)NC(=O)c2cccc3ccccc32)c(C#N)c1C ZINC000408627590 571319431 /nfs/dbraw/zinc/31/94/31/571319431.db2.gz MBNASENMQMMMSD-UHFFFAOYSA-N -1 3 365.483 4.517 40 30 FJEBHM Cc1c(C(=O)Oc2cccc3cccnc32)oc2c1/C(=N\[O-])CC(C)(C)C2 ZINC000100931493 222257851 /nfs/dbraw/zinc/25/78/51/222257851.db2.gz GNGGHWLSZZUPMU-UCQKPKSFSA-N -1 3 364.401 4.506 40 30 FJEBHM CCOc1cc(Cl)cc(/C=N/c2cccc(NC(=O)C(C)C)c2)c1[O-] ZINC000005871981 520734001 /nfs/dbraw/zinc/73/40/01/520734001.db2.gz SWPMQLGJYMAWPW-SRZZPIQSSA-N -1 3 360.841 4.789 40 30 FJEBHM COc1cc(C=N[N-]c2nc3ccccc3o2)ccc1OCc1ccccc1 ZINC000005544007 521995419 /nfs/dbraw/zinc/99/54/19/521995419.db2.gz KBLYEANSGQKGOJ-OEAKJJBVSA-N -1 3 373.412 4.861 40 30 FJEBHM CCOc1cc(C=C2CCC(C(=O)C(F)(F)F)=C2O)cc(Cl)c1[O-] ZINC000408563860 570557544 /nfs/dbraw/zinc/55/75/44/570557544.db2.gz QZTUQIIUXSSVNP-LFKWHJGZSA-N -1 3 362.731 4.565 40 30 FJEBHM C=CCc1cc(/C=N/c2sc3c(c2C#N)CCCC3)cc(OC)c1[O-] ZINC000008109011 570617900 /nfs/dbraw/zinc/61/79/00/570617900.db2.gz WRJLOHFKJOBLRY-WSDLNYQXSA-N -1 3 352.459 4.692 40 30 FJEBHM CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C\c3ccc(O)c([O-])c3)sc2C1 ZINC000409213209 570741030 /nfs/dbraw/zinc/74/10/30/570741030.db2.gz RNIRTKDZYWPNOU-BTXKWLAHSA-N -1 3 354.475 4.933 40 30 FJEBHM Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3cc(Cl)ccc3[O-])S2)c1 ZINC000059459422 571089284 /nfs/dbraw/zinc/08/92/84/571089284.db2.gz QDVZJCIHSYGDKP-SXGWCWSVSA-N -1 3 358.850 4.554 40 30 FJEBHM CCOc1cc(-c2cc(-c3ccc(C)c(C)c3)nc(N)c2C#N)ccc1[O-] ZINC000019848454 571327433 /nfs/dbraw/zinc/32/74/33/571327433.db2.gz PBIMRLOYRQLKOR-UHFFFAOYSA-N -1 3 359.429 4.591 40 30 FJEBHM [O-]c1cc(Br)ccc1/C=N/c1ccc(N2CCCCC2)cc1 ZINC000101651844 132234027 /nfs/dbraw/zinc/23/40/27/132234027.db2.gz USJAQHQDLYPMHB-DEDYPNTBSA-N -1 3 359.267 4.896 40 30 FJEBHM CCCCC(=O)Nc1ccc(/N=C/c2cc(Cl)ccc2[O-])cc1OC ZINC000032114953 519913813 /nfs/dbraw/zinc/91/38/13/519913813.db2.gz NNYZQFUZAMIAQG-CIAFOILYSA-N -1 3 360.841 4.934 40 30 FJEBHM COc1cc(COc2ccc(/C=N\[O-])cc2)ccc1OCc1ccccc1 ZINC000408540445 570527938 /nfs/dbraw/zinc/52/79/38/570527938.db2.gz RXJRHKFPKFFNEJ-UCQKPKSFSA-N -1 3 363.413 4.661 40 30 FJEBHM COc1ccc(/N=C/c2cc(Cl)cc(C)c2[O-])cc1Br ZINC000006825845 570655202 /nfs/dbraw/zinc/65/52/02/570655202.db2.gz APFXZCFPAVKBNN-QGMBQPNBSA-N -1 3 354.631 4.876 40 30 FJEBHM O=C(C1=C([O-])C(=Cc2cccc(Br)c2)CCC1)C(F)(F)F ZINC000409359865 570753360 /nfs/dbraw/zinc/75/33/60/570753360.db2.gz NWMAWYRVJJCPEJ-BCBKQYOUSA-N -1 3 361.157 4.960 40 30 FJEBHM Cc1sc(N=NCc2c([O-])ccc3ccccc32)nc1-c1ccccc1 ZINC000059193840 571088232 /nfs/dbraw/zinc/08/82/32/571088232.db2.gz OASWRVHNNNMGHW-LPYMAVHISA-N -1 3 359.454 4.845 40 30 FJEBHM Cc1ccc(/N=C\C=C\c2ccc(Br)c([N+](=O)[O-])c2)c([O-])c1 ZINC000005542526 207105155 /nfs/dbraw/zinc/10/51/55/207105155.db2.gz XBEGKMBQJCSNCI-ZNDCZADKSA-N -1 3 361.195 4.787 40 30 FJEBHM [O-]c1ccc2ccccc2c1/C=N/c1ccc(N2CCOCC2)c(Cl)c1 ZINC000006548955 207144756 /nfs/dbraw/zinc/14/47/56/207144756.db2.gz MWPUKIUHLHEXGV-OEAKJJBVSA-N -1 3 366.848 4.786 40 30 FJEBHM O=C(OCc1ccccc1)C(Cl)=N[N-]c1c(Cl)cccc1Cl ZINC000100505651 263435847 /nfs/dbraw/zinc/43/58/47/263435847.db2.gz SPPGEAMDTWOCQZ-XSFVSMFZSA-N -1 3 357.624 4.701 40 30 FJEBHM CCOc1ccc(N2[C@@H](c3ccccc3[O-])Oc3ccccc3[C@H]2C#N)cc1 ZINC000005011972 570617887 /nfs/dbraw/zinc/61/78/87/570617887.db2.gz MCWQQRGTBXLSTJ-NFBKMPQASA-N -1 3 372.424 4.953 40 30 FJEBHM CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc([O-])cc3)c2C)c1 ZINC000408965395 570704647 /nfs/dbraw/zinc/70/46/47/570704647.db2.gz GVQLHSCTNPBSRE-OEAKJJBVSA-N -1 3 362.429 4.727 40 30 FJEBHM Cc1ccc(COc2c(Cl)cc(/C=N\[O-])cc2Br)cc1 ZINC000216910727 571153697 /nfs/dbraw/zinc/15/36/97/571153697.db2.gz NOSZJQIAJSXLDZ-LSCVHKIXSA-N -1 3 354.631 4.798 40 30 FJEBHM [O-]/N=C(/c1ccccc1)c1ccc2c3c(ccc2Br)CCc31 ZINC000104128321 209258163 /nfs/dbraw/zinc/25/81/63/209258163.db2.gz WMMBKSROIVZPRM-VZCXRCSSSA-N -1 3 352.231 4.928 40 30 FJEBHM C=CCc1cc(/C=N/c2ccc(C(=O)OC)c(Cl)c2)cc(OCC)c1[O-] ZINC000059249732 571088846 /nfs/dbraw/zinc/08/88/46/571088846.db2.gz RMGHYDRHKFYCIF-WSDLNYQXSA-N -1 3 373.836 4.710 40 30 FJEBHM CCCCCCCCCCOC(=O)N1C(=O)[N-]C(=O)[C@@H]1c1ccccc1 ZINC000104136808 209258519 /nfs/dbraw/zinc/25/85/19/209258519.db2.gz MPKPNUYTYIQPJX-KRWDZBQOSA-N -1 3 360.454 4.557 40 30 FJEBHM Cc1ccc(C(Cc2ccccc2)=NOC(=O)Nc2ccccc2)c([O-])c1 ZINC000005542517 525941954 /nfs/dbraw/zinc/94/19/54/525941954.db2.gz ZCPIQDIEKZEEPT-HIXSDJFHSA-N -1 3 360.413 4.896 40 30 FJEBHM [O-]c1ccc2oc3c(c2c1/C=N/c1ccc(Br)cn1)CCCC3 ZINC000005394903 570626262 /nfs/dbraw/zinc/62/62/62/570626262.db2.gz FJXBGBIGMDEKAI-UFFVCSGVSA-N -1 3 371.234 4.925 40 30 FJEBHM [O-]/N=C(\c1ccccc1)c1ccc2c3c(ccc2Br)CCc31 ZINC000008628521 570683687 /nfs/dbraw/zinc/68/36/87/570683687.db2.gz WMMBKSROIVZPRM-XUTLUUPISA-N -1 3 352.231 4.928 40 30 FJEBHM C=CCc1cc(/C=N/c2ccc(Cl)c(C(=O)OC)c2)cc(OCC)c1[O-] ZINC000059302065 571090087 /nfs/dbraw/zinc/09/00/87/571090087.db2.gz XKYSHPGCAVECSU-WSDLNYQXSA-N -1 3 373.836 4.710 40 30 FJEBHM