smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1/N=C\c1c([O-])ccc2ccccc21 ZINC000096006203 185062901 /nfs/dbraw/zinc/06/29/01/185062901.db2.gz JWZBXRAHIARYPU-UNOMPAQXSA-N -1 3 277.323 4.305 40 30 CIEBHM COc1ccc(Cl)cc1/C=C\C=N/c1ccccc1[O-] ZINC000005030988 170058398 /nfs/dbraw/zinc/05/83/98/170058398.db2.gz IUJOKMCEJJMNGO-CGGMAVBGSA-N -1 3 287.746 4.470 40 30 CIEBHM [O-]c1ccc(Cl)cc1/C=N/c1cccc2cccnc21 ZINC000003122926 567056863 /nfs/dbraw/zinc/05/68/63/567056863.db2.gz KLFCVAKGVZVKCQ-VXLYETTFSA-N -1 3 282.730 4.344 40 30 CIEBHM [O-]c1ccc(Cl)cc1/C=N/c1ccc2ncccc2c1 ZINC000013208188 567865203 /nfs/dbraw/zinc/86/52/03/567865203.db2.gz CFOTYMACAIVSFI-VXLYETTFSA-N -1 3 282.730 4.344 40 30 CIEBHM Cc1[nH]c2ccccc2c1C(=O)/C=C\c1ccccc1[O-] ZINC000017188054 567875180 /nfs/dbraw/zinc/87/51/80/567875180.db2.gz BIMDLCULOMFPAJ-KHPPLWFESA-N -1 3 277.323 4.078 40 30 CIEBHM [O-]c1ccc2ccccc2c1/C=N\c1ccc(O)cc1 ZINC000018178103 567876755 /nfs/dbraw/zinc/87/67/55/567876755.db2.gz KPLUVIWNJYXFQT-WQRHYEAKSA-N -1 3 263.296 4.002 40 30 CIEBHM [O-]c1ccc(Cl)cc1/C=N\c1cccc2cccnc21 ZINC000104211870 567916358 /nfs/dbraw/zinc/91/63/58/567916358.db2.gz KLFCVAKGVZVKCQ-GRSHGNNSSA-N -1 3 282.730 4.344 40 30 CIEBHM CC(C)(C)c1ccc([O-])c(/N=C/c2ccccc2O)c1 ZINC000000296601 567929459 /nfs/dbraw/zinc/92/94/59/567929459.db2.gz UCRYNKIALQRUEG-WOJGMQOQSA-N -1 3 269.344 4.146 40 30 CIEBHM C=CCc1cc(/C=N/c2cccc(F)c2)cc(OCC)c1[O-] ZINC000408843333 567933225 /nfs/dbraw/zinc/93/32/25/567933225.db2.gz DHWBOWPQDZMNOZ-UDWIEESQSA-N -1 3 299.345 4.409 40 30 CIEBHM CCCCC(=O)Nc1cccc(/N=C/c2ccccc2[O-])c1 ZINC000006396845 570381509 /nfs/dbraw/zinc/38/15/09/570381509.db2.gz NCVDXTVDZBBINW-CPNJWEJPSA-N -1 3 296.370 4.272 40 30 CIEBHM COc1ccccc1/N=C\c1ccc2ccccc2c1[O-] ZINC000100248360 230391605 /nfs/dbraw/zinc/39/16/05/230391605.db2.gz PCFCGSXZRQVKDQ-UNOMPAQXSA-N -1 3 277.323 4.305 40 30 CIEBHM [O-]c1ccc2ccccc2c1C=Nc1cccc(O)c1 ZINC000254489763 518203618 /nfs/dbraw/zinc/20/36/18/518203618.db2.gz YQOYKUDGUDTBLW-UHFFFAOYSA-N -1 3 263.296 4.002 40 30 CIEBHM C=C[C@@](C)(CCC=C(C)C)[N-]C(=O)C(Cl)(Cl)Cl ZINC000002032287 566902135 /nfs/dbraw/zinc/90/21/35/566902135.db2.gz OMJPNRPQUNHMOS-NSHDSACASA-N -1 3 298.641 4.164 40 30 CIEBHM [O-]c1ccc(Cl)cc1/C=N/c1cnc2ccccc2c1 ZINC000001703799 567842046 /nfs/dbraw/zinc/84/20/46/567842046.db2.gz APAGHSCPGGGDFZ-GIJQJNRQSA-N -1 3 282.730 4.344 40 30 in-vitro CIEBHM COc1ccc(Cl)cc1/C=C/C=N/c1ccccc1[O-] ZINC000016920265 567874093 /nfs/dbraw/zinc/87/40/93/567874093.db2.gz IUJOKMCEJJMNGO-NBGMOQMUSA-N -1 3 287.746 4.470 40 30 CIEBHM COc1ccc(Cl)cc1/C=C\C=N\c1ccccc1[O-] ZINC000016920269 567874186 /nfs/dbraw/zinc/87/41/86/567874186.db2.gz IUJOKMCEJJMNGO-SSAWSCCNSA-N -1 3 287.746 4.470 40 30 CIEBHM COc1cccc(/C=N/c2cc(C(C)C)c([O-])cc2C)c1O ZINC000017288048 567875320 /nfs/dbraw/zinc/87/53/20/567875320.db2.gz SLSSRAYWFSHHDU-VXLYETTFSA-N -1 3 299.370 4.289 40 30 CIEBHM Cc1cc([O-])c(C(C)C)cc1/N=C/c1cccc([N+](=O)[O-])c1 ZINC000017288789 567875368 /nfs/dbraw/zinc/87/53/68/567875368.db2.gz LEBRGRJPDCEDGV-VCHYOVAHSA-N -1 3 298.342 4.483 40 30 CIEBHM CCCc1cc(C)cc(/N=C/c2ccccc2)c1[O-] ZINC000018045163 567876540 /nfs/dbraw/zinc/87/65/40/567876540.db2.gz MOJVWASFGTVFKG-LDADJPATSA-N -1 3 253.345 4.404 40 30 CIEBHM [O-]c1c(/C=N\Cc2ccc(F)cc2)ccc2ccccc12 ZINC000032101668 567885487 /nfs/dbraw/zinc/88/54/87/567885487.db2.gz BDUZPBIPIUYAFX-NDENLUEZSA-N -1 3 279.314 4.304 40 30 CIEBHM COc1ccccc1/N=C/c1ccc2ccccc2c1[O-] ZINC000032101541 567885613 /nfs/dbraw/zinc/88/56/13/567885613.db2.gz PCFCGSXZRQVKDQ-XDHOZWIPSA-N -1 3 277.323 4.305 40 30 CIEBHM [O-]/N=C(\CCc1ccccc1Cl)c1ccccc1 ZINC000104321827 567916799 /nfs/dbraw/zinc/91/67/99/567916799.db2.gz YZPIPADRCRNDHF-BMRADRMJSA-N -1 3 259.736 4.151 40 30 CIEBHM C[C@@H]1CCc2c(C#N)c(/N=C/c3ccc([O-])cc3)sc2C1 ZINC000000295575 567929559 /nfs/dbraw/zinc/92/95/59/567929559.db2.gz BVNHQBCSENFMEM-VURRPDKYSA-N -1 3 296.395 4.201 40 30 CIEBHM CCOc1cc(/C=N/[O-])ccc1OCc1cc(C)cc(C)c1 ZINC000408941351 567933427 /nfs/dbraw/zinc/93/34/27/567933427.db2.gz WIRKUEPJUHIMGW-YBFXNURJSA-N -1 3 299.370 4.089 40 30 CIEBHM [O-]c1ccccc1/N=C\c1ccc(N2CCCCC2)cc1 ZINC000408961100 567933739 /nfs/dbraw/zinc/93/37/39/567933739.db2.gz RBMDSYQBMDQNIN-RGEXLXHISA-N -1 3 280.371 4.133 40 30 CIEBHM Cc1cc([O-])c(C(C)C)cc1/N=C\c1ccccc1[N+](=O)[O-] ZINC000084459916 570253005 /nfs/dbraw/zinc/25/30/05/570253005.db2.gz HKNXEPCUZAGUHS-ZDLGFXPLSA-N -1 3 298.342 4.483 40 30 CIEBHM [O-]c1c(/C=N\c2cccc(O)c2)ccc2ccccc12 ZINC000100248436 230391672 /nfs/dbraw/zinc/39/16/72/230391672.db2.gz WKCCENKAJXNJLP-WQRHYEAKSA-N -1 3 263.296 4.002 40 30 CIEBHM [O-]/N=C\c1ccc(OCc2cccc3ccccc32)cc1 ZINC000100250144 230391708 /nfs/dbraw/zinc/39/17/08/230391708.db2.gz XCVDLAKUWFBXFF-UNOMPAQXSA-N -1 3 277.323 4.227 40 30 CIEBHM [O-]N=Cc1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409117161 261138344 /nfs/dbraw/zinc/13/83/44/261138344.db2.gz NLDZUYCAOOLSJT-UHFFFAOYSA-N -1 3 263.749 4.299 40 30 CIEBHM [O-]c1c(/C=N\c2ccccc2F)ccc2ccccc12 ZINC000001100240 567836189 /nfs/dbraw/zinc/83/61/89/567836189.db2.gz OGYWKSGABYELIS-ODLFYWEKSA-N -1 3 265.287 4.435 40 30 CIEBHM [O-]c1ccc(Cl)cc1/C=N\OCc1cccc(Cl)c1 ZINC000016951183 567874100 /nfs/dbraw/zinc/87/41/00/567874100.db2.gz BIDGMQYVKKRUDT-IUXPMGMMSA-N -1 3 296.153 4.250 40 30 CIEBHM [O-]c1c(/C=N/c2cccc(F)c2)ccc2ccccc12 ZINC000032101567 567885557 /nfs/dbraw/zinc/88/55/57/567885557.db2.gz JYGNOVYHTUMUPB-YBFXNURJSA-N -1 3 265.287 4.435 40 30 CIEBHM [O-]c1c(/C=N/c2ccc(F)cc2)ccc2ccccc12 ZINC000032101564 567885645 /nfs/dbraw/zinc/88/56/45/567885645.db2.gz AAJMTOIAQZLPSA-YBFXNURJSA-N -1 3 265.287 4.435 40 30 CIEBHM CCCCCCCCC/C(=N\[O-])c1ccc(O)cc1O ZINC000100930225 567914046 /nfs/dbraw/zinc/91/40/46/567914046.db2.gz GQYDKGNUMXWUNE-BMRADRMJSA-N -1 3 279.380 4.417 40 30 CIEBHM C/C(C/C(C)=N/c1ccccc1O)=N\c1ccccc1[O-] ZINC000101400198 567914812 /nfs/dbraw/zinc/91/48/12/567914812.db2.gz VLWWRTKFDAUCMI-KLCVKJMQSA-N -1 3 282.343 4.373 40 30 CIEBHM [O-]/N=C\C12c3ccccc3C(c3ccccc31)c1ccccc12 ZINC000104091207 567915857 /nfs/dbraw/zinc/91/58/57/567915857.db2.gz YRPOGXHQEALDRU-XKZIYDEJSA-N -1 3 297.357 4.288 40 30 CIEBHM CC[C@@H](C)c1ccc([O-])c(/N=C/c2cccc(OC)c2O)c1 ZINC000000345192 567929434 /nfs/dbraw/zinc/92/94/34/567929434.db2.gz ZVPLGBMYDWPMMK-ZGXHQARYSA-N -1 3 299.370 4.371 40 30 CIEBHM [O-]/N=C/c1cccc(OCc2cccc3ccccc32)c1 ZINC000103844697 230393309 /nfs/dbraw/zinc/39/33/09/230393309.db2.gz NZILLBFUCDCCLJ-XDHOZWIPSA-N -1 3 277.323 4.227 40 30 CIEBHM CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1/N=C\c1ccccc1[O-] ZINC000004976447 170047795 /nfs/dbraw/zinc/04/77/95/170047795.db2.gz JSVJFQPVXUXWLF-FJHWIZDISA-N -1 3 257.377 4.026 40 30 CIEBHM [O-]c1ccccc1/C=N/c1ccc2c3c(cccc31)CC2 ZINC000005583508 170116077 /nfs/dbraw/zinc/11/60/77/170116077.db2.gz NZUKQHHECRAIKL-UDWIEESQSA-N -1 3 273.335 4.395 40 30 CIEBHM O=C(/C=C\c1c([O-])ccc2ccccc12)c1cccc(O)c1 ZINC000005722861 170133228 /nfs/dbraw/zinc/13/32/28/170133228.db2.gz SEJSOIIPSTXKHD-LUAWRHEFSA-N -1 3 290.318 4.147 40 30 CIEBHM [O-]/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000253567987 328115826 /nfs/dbraw/zinc/11/58/26/328115826.db2.gz KSNLIOPXYHXDIZ-CAOOACKPSA-N -1 3 296.153 4.381 40 30 CIEBHM CCOc1ccc(/N=C\C=C/c2ccccc2)c([O-])c1 ZINC000013146950 326838318 /nfs/dbraw/zinc/83/83/18/326838318.db2.gz NZQXFWBMKVCOLP-KZIJLOKPSA-N -1 3 267.328 4.207 40 30 CIEBHM [O-]/N=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000216811648 566930768 /nfs/dbraw/zinc/93/07/68/566930768.db2.gz UQRAAKVNDDGRTG-IUXPMGMMSA-N -1 3 296.153 4.381 40 30 CIEBHM [O-]/N=C/c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 ZINC000102984744 566958596 /nfs/dbraw/zinc/95/85/96/566958596.db2.gz YOLSMEYJPPMXNC-VCHYOVAHSA-N -1 3 297.745 4.001 40 30 CIEBHM COc1ccc(C/N=C/c2c([O-])ccc3ccccc32)cc1 ZINC000005287238 567076857 /nfs/dbraw/zinc/07/68/57/567076857.db2.gz FRXFMOCMLIKNCF-DEDYPNTBSA-N -1 3 291.350 4.173 40 30 CIEBHM O=[N+]([O-])c1ccc(/N=C\c2c([O-])ccc3ccccc32)cc1 ZINC000017951405 567875945 /nfs/dbraw/zinc/87/59/45/567875945.db2.gz OFXWURJGINWIEW-WQRHYEAKSA-N -1 3 292.294 4.204 40 30 CIEBHM [O-]c1c(/C=N/Cc2ccccc2)ccc2ccccc21 ZINC000032101672 567885401 /nfs/dbraw/zinc/88/54/01/567885401.db2.gz LKKOLEYISGZYLZ-CPNJWEJPSA-N -1 3 261.324 4.165 40 30 CIEBHM COc1cccc(/N=C/c2ccc3ccccc3c2[O-])c1 ZINC000032101537 567885602 /nfs/dbraw/zinc/88/56/02/567885602.db2.gz XLUDBBLEHQOISK-XDHOZWIPSA-N -1 3 277.323 4.305 40 30 CIEBHM [O-]c1cc(O)ccc1/C(=N\c1ccccc1)c1ccccc1 ZINC000102876428 567915489 /nfs/dbraw/zinc/91/54/89/567915489.db2.gz KRMPJSOYDZSBAC-VXPUYCOJSA-N -1 3 289.334 4.267 40 30 CIEBHM [O-]c1ccc(/C(=N\c2ccccc2)c2ccccc2)c(O)c1 ZINC000102876428 567915491 /nfs/dbraw/zinc/91/54/91/567915491.db2.gz KRMPJSOYDZSBAC-VXPUYCOJSA-N -1 3 289.334 4.267 40 30 CIEBHM CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1/N=C/c1ccccc1[O-] ZINC000104076363 567915865 /nfs/dbraw/zinc/91/58/65/567915865.db2.gz JSVJFQPVXUXWLF-SFIKZYSNSA-N -1 3 257.377 4.026 40 30 CIEBHM CC[C@H](C)c1ccc([O-])c(/N=C/c2cccc(OC)c2O)c1 ZINC000000345194 567929390 /nfs/dbraw/zinc/92/93/90/567929390.db2.gz ZVPLGBMYDWPMMK-MKFNJMOCSA-N -1 3 299.370 4.371 40 30 CIEBHM Cc1cc(C)cc(COc2ccc(/C=N/[O-])cc2Cl)c1 ZINC000408938593 567933522 /nfs/dbraw/zinc/93/35/22/567933522.db2.gz LCCVPXBIQUCDFJ-GIJQJNRQSA-N -1 3 289.762 4.344 40 30 CIEBHM CCOc1ccc(Cl)cc1/C=N\c1ccccc1[O-] ZINC000409093939 567934165 /nfs/dbraw/zinc/93/41/65/567934165.db2.gz BVDZBHROQXQGNN-YVLHZVERSA-N -1 3 275.735 4.195 40 30 CIEBHM COc1ccc(C/N=C/c2ccc3ccccc3c2[O-])cc1 ZINC000409063713 567934192 /nfs/dbraw/zinc/93/41/92/567934192.db2.gz BIWRKSPIBQTRSY-DEDYPNTBSA-N -1 3 291.350 4.173 40 30 CIEBHM Cc1ccc(O)c(/N=C/c2ccc3ccccc3c2[O-])c1 ZINC000409060478 570276110 /nfs/dbraw/zinc/27/61/10/570276110.db2.gz WALIAPAFLJMKMV-YBFXNURJSA-N -1 3 277.323 4.310 40 30 CIEBHM CCCCCOc1ccc(/C(=N/O)c2ccccc2)c([O-])c1 ZINC000005418794 170097100 /nfs/dbraw/zinc/09/71/00/170097100.db2.gz IOYHRRARKWYQGK-VHEBQXMUSA-N -1 3 299.370 4.188 40 30 CIEBHM CCCCCOc1ccc(/C(=N/[O-])c2ccccc2)c(O)c1 ZINC000005418794 170097101 /nfs/dbraw/zinc/09/71/01/170097101.db2.gz IOYHRRARKWYQGK-VHEBQXMUSA-N -1 3 299.370 4.188 40 30 CIEBHM Cc1ccc(C/N=C/c2ccc3ccccc3c2[O-])cc1 ZINC000100248568 533729622 /nfs/dbraw/zinc/72/96/22/533729622.db2.gz JXJKTFXTPSOUMM-DEDYPNTBSA-N -1 3 275.351 4.473 40 30 CIEBHM Cc1ccc([O-])c(/N=C/c2ccc(Br)cc2)c1 ZINC000102924019 566952451 /nfs/dbraw/zinc/95/24/51/566952451.db2.gz LXBPPUIQUCCKHL-CXUHLZMHSA-N -1 3 290.160 4.214 40 30 CIEBHM [O-]c1ccc2ccccc2c1C=Nc1ccccc1F ZINC000254490252 567072271 /nfs/dbraw/zinc/07/22/71/567072271.db2.gz SVSZPSJOSRXCFN-UHFFFAOYSA-N -1 3 265.287 4.435 40 30 CIEBHM CCOc1ccc(/N=C/c2cccc(Cl)c2)c([O-])c1 ZINC000018143289 567876486 /nfs/dbraw/zinc/87/64/86/567876486.db2.gz WTJFTIOKKMIEMU-LICLKQGHSA-N -1 3 275.735 4.195 40 30 CIEBHM [O-]/N=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000100468482 567881217 /nfs/dbraw/zinc/88/12/17/567881217.db2.gz OIAXIGUMTSUKII-ZDLGFXPLSA-N -1 3 297.745 4.001 40 30 CIEBHM CCOc1ccc(/N=C\c2cccc(Cl)c2)c([O-])c1 ZINC000100344934 567912815 /nfs/dbraw/zinc/91/28/15/567912815.db2.gz WTJFTIOKKMIEMU-YVLHZVERSA-N -1 3 275.735 4.195 40 30 CIEBHM CCOc1ccc(/N=C\c2ccc(Cl)cc2)c([O-])c1 ZINC000100344920 567912820 /nfs/dbraw/zinc/91/28/20/567912820.db2.gz YMZRUZKLJGPUMS-YVLHZVERSA-N -1 3 275.735 4.195 40 30 CIEBHM CCCCCCCC/C(=N\[O-])c1ccc(O)cc1O ZINC000100925724 567914027 /nfs/dbraw/zinc/91/40/27/567914027.db2.gz DXRCRSKLDPCICE-JQIJEIRASA-N -1 3 265.353 4.027 40 30 CIEBHM [O-]c1ccc2ccccc2c1/C=N/c1nc2ccccc2[nH]1 ZINC000016513194 570356135 /nfs/dbraw/zinc/35/61/35/570356135.db2.gz MNMXYBJKEDSZSG-YBFXNURJSA-N -1 3 287.322 4.172 40 30 CIEBHM COc1cccc(/N=C\c2c([O-])ccc3ccccc32)c1 ZINC000096006202 185063367 /nfs/dbraw/zinc/06/33/67/185063367.db2.gz FWROWVXHYHSYTO-UNOMPAQXSA-N -1 3 277.323 4.305 40 30 CIEBHM CCCCC(=N\[O-])/C(=N/O)c1ccc(C(C)C)cc1 ZINC000005417555 170096869 /nfs/dbraw/zinc/09/68/69/170096869.db2.gz JZXDCXSNOCMGEZ-YXLFCKQPSA-N -1 3 262.353 4.009 40 30 CIEBHM COc1ccccc1N=Cc1ccc2ccccc2c1[O-] ZINC000260840633 328073856 /nfs/dbraw/zinc/07/38/56/328073856.db2.gz PCFCGSXZRQVKDQ-UHFFFAOYSA-N -1 3 277.323 4.305 40 30 CIEBHM COc1ccc(N=Cc2ccc3ccccc3c2[O-])cc1 ZINC000256124402 327090999 /nfs/dbraw/zinc/09/09/99/327090999.db2.gz CBCVFHZXYPGQFC-UHFFFAOYSA-N -1 3 277.323 4.305 40 30 CIEBHM [O-]c1ccc2ccccc2c1C=Nc1ccc(O)cc1 ZINC000254823692 327249778 /nfs/dbraw/zinc/24/97/78/327249778.db2.gz KPLUVIWNJYXFQT-UHFFFAOYSA-N -1 3 263.296 4.002 40 30 CIEBHM [O-]N=C1c2cc(Cl)ccc2-c2ccc(Cl)cc21 ZINC000001580930 567838682 /nfs/dbraw/zinc/83/86/82/567838682.db2.gz QBEGYWPUWWKWOB-UHFFFAOYSA-N -1 3 264.111 4.200 40 30 CIEBHM [O-]c1ccccc1/C=N/c1ccc(Cl)c2cccnc12 ZINC000003122812 567851771 /nfs/dbraw/zinc/85/17/71/567851771.db2.gz MVWCJKYEPXFMET-VXLYETTFSA-N -1 3 282.730 4.344 40 30 CIEBHM [O-]c1ccc(Cl)cc1/C=N\c1cnc2ccccc2c1 ZINC000013099274 567864903 /nfs/dbraw/zinc/86/49/03/567864903.db2.gz APAGHSCPGGGDFZ-NVMNQCDNSA-N -1 3 282.730 4.344 40 30 in-vitro CIEBHM Cc1cc(O)c(C(C)C)cc1/N=C\c1ccccc1[O-] ZINC000013120159 567864912 /nfs/dbraw/zinc/86/49/12/567864912.db2.gz HYTXEOFJVZEFSX-ZDLGFXPLSA-N -1 3 269.344 4.280 40 30 in-vitro CIEBHM [O-]/N=C/C12c3ccccc3C(c3ccccc31)c1ccccc12 ZINC000016923998 567874046 /nfs/dbraw/zinc/87/40/46/567874046.db2.gz YRPOGXHQEALDRU-LPYMAVHISA-N -1 3 297.357 4.288 40 30 CIEBHM O=C(/C=C/c1c([O-])ccc2ccccc12)c1cccc(O)c1 ZINC000016957410 567874231 /nfs/dbraw/zinc/87/42/31/567874231.db2.gz SEJSOIIPSTXKHD-PKNBQFBNSA-N -1 3 290.318 4.147 40 30 CIEBHM CCc1cccc(CC)c1/N=C\c1ccccc1[O-] ZINC000017023646 567874648 /nfs/dbraw/zinc/87/46/48/567874648.db2.gz FKNXFJSGWVGGRQ-PDGQHHTCSA-N -1 3 253.345 4.268 40 30 CIEBHM CC/C(=N\N=C(/CC)c1ccccc1O)c1ccccc1[O-] ZINC000017014934 567874656 /nfs/dbraw/zinc/87/46/56/567874656.db2.gz VPFUDKUZTSIJRY-MXWIWYRXSA-N -1 3 296.370 4.111 40 30 CIEBHM Nc1ccccc1C(=O)/C=C\c1c([O-])ccc2ccccc12 ZINC000017210657 567875195 /nfs/dbraw/zinc/87/51/95/567875195.db2.gz NZYLTSOYOOGAKX-BENRWUELSA-N -1 3 289.334 4.024 40 30 CIEBHM 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[O-]c1ccccc1/C=N\c1ccc(Cl)c2cccnc12 ZINC000104222869 567916381 /nfs/dbraw/zinc/91/63/81/567916381.db2.gz MVWCJKYEPXFMET-GRSHGNNSSA-N -1 3 282.730 4.344 40 30 CIEBHM [O-]c1ccc2ccccc2c1/C=N\c1cccnc1Cl ZINC000000507632 567929900 /nfs/dbraw/zinc/92/99/00/567929900.db2.gz FBULRFHNUBCFOH-GRSHGNNSSA-N -1 3 282.730 4.344 40 30 CIEBHM Cc1cc(N2CCCC2)ccc1/C=N\c1ccccc1[O-] ZINC000408960694 567933558 /nfs/dbraw/zinc/93/35/58/567933558.db2.gz NWUKLOBDTAFKRX-UYRXBGFRSA-N -1 3 280.371 4.051 40 30 CIEBHM Cc1cc([O-])c(C(C)C)cc1/N=C/c1ccccc1[N+](=O)[O-] ZINC000017288792 567935154 /nfs/dbraw/zinc/93/51/54/567935154.db2.gz HKNXEPCUZAGUHS-VCHYOVAHSA-N -1 3 298.342 4.483 40 30 CIEBHM [O-]c1ccc2ccccc2c1C=Nc1ccc(Cl)cn1 ZINC000253618439 567947008 /nfs/dbraw/zinc/94/70/08/567947008.db2.gz MBTVWUYRVPSNKS-UHFFFAOYSA-N -1 3 282.730 4.344 40 30 CIEBHM Cc1ccc(/N=C/c2ccc([O-])cc2)cc1Br ZINC000000342684 570382896 /nfs/dbraw/zinc/38/28/96/570382896.db2.gz IFXXGTSZSGEKDS-CXUHLZMHSA-N -1 3 290.160 4.214 40 30 CIEBHM [O-]c1ccccc1/N=C\c1c(O)ccc2ccccc21 ZINC000095920280 185031420 /nfs/dbraw/zinc/03/14/20/185031420.db2.gz FMIVOPRNBGRDKP-WQRHYEAKSA-N -1 3 263.296 4.002 40 30 CIEBHM CC/C(=N/N=C(/CC)c1ccccc1O)c1ccccc1[O-] ZINC000005459106 170101407 /nfs/dbraw/zinc/10/14/07/170101407.db2.gz VPFUDKUZTSIJRY-IKBKFCNISA-N -1 3 296.370 4.111 40 30 CIEBHM CCOc1ccc(/N=C\c2ccccc2Cl)c([O-])c1 ZINC000016926648 567874179 /nfs/dbraw/zinc/87/41/79/567874179.db2.gz HECCMQPFOYBWEB-YVLHZVERSA-N -1 3 275.735 4.195 40 30 CIEBHM Cc1ccc(C/N=C/c2c([O-])ccc3ccccc32)cc1 ZINC000032101513 567885660 /nfs/dbraw/zinc/88/56/60/567885660.db2.gz OGWZJSMNRSYXCM-DEDYPNTBSA-N -1 3 275.351 4.473 40 30 CIEBHM CCOc1ccc(/N=C/C=C\c2ccccc2)c([O-])c1 ZINC000100344886 567912909 /nfs/dbraw/zinc/91/29/09/567912909.db2.gz NZQXFWBMKVCOLP-CVVJEMIOSA-N -1 3 267.328 4.207 40 30 CIEBHM CCCCCCC/C(=N\[O-])c1ccc(OC)cc1OC ZINC000100925718 567914193 /nfs/dbraw/zinc/91/41/93/567914193.db2.gz DWIVHSMYEOQZNV-BMRADRMJSA-N -1 3 279.380 4.243 40 30 CIEBHM C#Cc1cccc(/N=C\c2cc(Cl)cc(C)c2[O-])c1 ZINC000104222547 567916309 /nfs/dbraw/zinc/91/63/09/567916309.db2.gz UDDLQWZLZVOSHE-ZDLGFXPLSA-N -1 3 269.731 4.086 40 30 CIEBHM Cc1cc([O-])c(C(C)C)cc1/N=C/c1ccc2c(c1)OCO2 ZINC000017968543 567937834 /nfs/dbraw/zinc/93/78/34/567937834.db2.gz MSSWKSMLJGXDPN-DJKKODMXSA-N -1 3 297.354 4.303 40 30 CIEBHM Cc1ccc(/N=C/c2c(O)ccc3ccccc23)c([O-])c1 ZINC000409056809 570276013 /nfs/dbraw/zinc/27/60/13/570276013.db2.gz IYBAZCAWENEANL-YBFXNURJSA-N -1 3 277.323 4.310 40 30 CIEBHM [O-]/N=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000104852691 186028650 /nfs/dbraw/zinc/02/86/50/186028650.db2.gz DUJKWIPUUMMVNE-IUXPMGMMSA-N -1 3 296.153 4.381 40 30 CIEBHM COc1cccc(/N=C\c2ccc3ccccc3c2[O-])c1 ZINC000100248358 533390782 /nfs/dbraw/zinc/39/07/82/533390782.db2.gz XLUDBBLEHQOISK-UNOMPAQXSA-N -1 3 277.323 4.305 40 30 CIEBHM C=C[C@](C)(CCC=C(C)C)[N-]C(=O)C(Cl)(Cl)Cl ZINC000001766102 169756293 /nfs/dbraw/zinc/75/62/93/169756293.db2.gz OMJPNRPQUNHMOS-LLVKDONJSA-N -1 3 298.641 4.164 40 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Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc([O-])cc1 ZINC000018067015 567876475 /nfs/dbraw/zinc/87/64/75/567876475.db2.gz RLORVBCBIPWMNO-VCHYOVAHSA-N -1 3 269.344 4.280 40 30 CIEBHM CCCCCCCCC(=N\[O-])/C(=N/O)c1ccccc1 ZINC000100932727 567914147 /nfs/dbraw/zinc/91/41/47/567914147.db2.gz VJWVWXCNHFXAAF-YTEMWHBBSA-N -1 3 276.380 4.446 40 30 CIEBHM O=C1C=Cc2cccc3c4cc5ccccc5c([O-])c4nc1c23 ZINC000104194424 567916391 /nfs/dbraw/zinc/91/63/91/567916391.db2.gz SYRSWRDZPGVLOC-UHFFFAOYSA-N -1 3 297.313 4.456 40 30 CIEBHM [O-]c1c(/C=N/c2ccc3c(c2)OCO3)ccc2ccccc21 ZINC000006345231 570381417 /nfs/dbraw/zinc/38/14/17/570381417.db2.gz IBAMQZHPBYQGEG-VXLYETTFSA-N -1 3 291.306 4.025 40 30 CIEBHM Cc1cc(Cl)cc(/C(CCc2ccccc2)=N/[O-])c1O ZINC000005540127 170110655 /nfs/dbraw/zinc/11/06/55/170110655.db2.gz QLCFBBVSJXUHNO-OBGWFSINSA-N -1 3 289.762 4.165 40 30 CIEBHM Cc1cc(Cl)cc(/C(CCc2ccccc2)=N/O)c1[O-] ZINC000005540127 170110656 /nfs/dbraw/zinc/11/06/56/170110656.db2.gz QLCFBBVSJXUHNO-OBGWFSINSA-N -1 3 289.762 4.165 40 30 CIEBHM [O-]c1ccccc1/C=N\c1ccc(Cl)c(Cl)c1 ZINC000100371724 327213966 /nfs/dbraw/zinc/21/39/66/327213966.db2.gz VWMZWOFWWGXAIA-PXNMLYILSA-N -1 3 266.127 4.450 40 30 CIEBHM Cc1ccc(C/N=C\c2c([O-])ccc3ccccc32)cc1 ZINC000100248319 533729010 /nfs/dbraw/zinc/72/90/10/533729010.db2.gz OGWZJSMNRSYXCM-MOSHPQCFSA-N -1 3 275.351 4.473 40 30 CIEBHM [O-]/N=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000216811703 566931149 /nfs/dbraw/zinc/93/11/49/566931149.db2.gz KSNLIOPXYHXDIZ-IUXPMGMMSA-N -1 3 296.153 4.381 40 30 CIEBHM [O-]c1ccc2ccccc2c1/C=N\c1cccc(O)c1 ZINC000000061271 567817325 /nfs/dbraw/zinc/81/73/25/567817325.db2.gz YQOYKUDGUDTBLW-WQRHYEAKSA-N -1 3 263.296 4.002 40 30 CIEBHM [O-]c1ccccc1/C=N\c1cccc(C(F)(F)F)c1 ZINC000017429034 567875514 /nfs/dbraw/zinc/87/55/14/567875514.db2.gz CZMNFSJFHBHPIQ-NVMNQCDNSA-N -1 3 265.234 4.162 40 30 CIEBHM CCOc1ccc(/N=C/c2ccc(Cl)cc2)c([O-])c1 ZINC000018046503 567876592 /nfs/dbraw/zinc/87/65/92/567876592.db2.gz YMZRUZKLJGPUMS-LICLKQGHSA-N -1 3 275.735 4.195 40 30 CIEBHM CCOc1ccc(/N=C/c2ccccc2Cl)c([O-])c1 ZINC000100344949 567912902 /nfs/dbraw/zinc/91/29/02/567912902.db2.gz HECCMQPFOYBWEB-LICLKQGHSA-N -1 3 275.735 4.195 40 30 CIEBHM CCCc1cc(C)cc(/N=C\c2ccccc2)c1[O-] ZINC000104149922 567916254 /nfs/dbraw/zinc/91/62/54/567916254.db2.gz MOJVWASFGTVFKG-PDGQHHTCSA-N -1 3 253.345 4.404 40 30 CIEBHM O=C1c2ccccc2C/C1=C\c1c([O-])ccc2ccccc21 ZINC000409373031 567935206 /nfs/dbraw/zinc/93/52/06/567935206.db2.gz SGWMWSOFXQIAAS-NTCAYCPXSA-N -1 3 286.330 4.368 40 30 CIEBHM CCCCCCCC(=O)Nc1ccc(/C(C)=N/[O-])cc1 ZINC000102008807 567937606 /nfs/dbraw/zinc/93/76/06/567937606.db2.gz ZCOKBRDETLWOQX-QGOAFFKASA-N -1 3 276.380 4.184 40 30 CIEBHM O=C(/C=C\c1c([O-])ccc2ccccc21)c1ccccc1 ZINC000005722868 170133324 /nfs/dbraw/zinc/13/33/24/170133324.db2.gz BULMFFWOBSTTTQ-QBFSEMIESA-N -1 3 274.319 4.442 40 30 CIEBHM Cc1[nH]c2ccccc2c1C(=O)/C=C/c1ccccc1[O-] ZINC000005810734 170141999 /nfs/dbraw/zinc/14/19/99/170141999.db2.gz BIMDLCULOMFPAJ-ZHACJKMWSA-N -1 3 277.323 4.078 40 30 CIEBHM 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[O-]/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000101388131 567914801 /nfs/dbraw/zinc/91/48/01/567914801.db2.gz CSHSCZSZZRPRIQ-IUXPMGMMSA-N -1 3 296.153 4.381 40 30 CIEBHM CCc1cccc(CC)c1/N=C/c1ccccc1[O-] ZINC000104162266 567916191 /nfs/dbraw/zinc/91/61/91/567916191.db2.gz FKNXFJSGWVGGRQ-LDADJPATSA-N -1 3 253.345 4.268 40 30 CIEBHM N#CCCSc1ccccc1/N=C\c1ccccc1[O-] ZINC000104191808 567916422 /nfs/dbraw/zinc/91/64/22/567916422.db2.gz KGSGHAXKDKKCTB-PDGQHHTCSA-N -1 3 282.368 4.149 40 30 CIEBHM COc1ccc(/N=C\c2c([O-])ccc3ccccc32)cc1 ZINC000098044833 533251530 /nfs/dbraw/zinc/25/15/30/533251530.db2.gz KIZFMCMRXXHNJT-UNOMPAQXSA-N -1 3 277.323 4.305 40 30 CIEBHM [O-]c1ccc(Cl)cc1/C=N/C12CC3CC(CC(C3)C1)C2 ZINC000005889923 170150933 /nfs/dbraw/zinc/15/09/33/170150933.db2.gz NEFHHHGHVUYPOW-VXLYETTFSA-N -1 3 289.806 4.433 40 30 CIEBHM CCOc1ccc(Cl)cc1/C=N/c1ccc([O-])cc1 ZINC000409116975 261138488 /nfs/dbraw/zinc/13/84/88/261138488.db2.gz MSIKXBZIIHBTQS-LICLKQGHSA-N -1 3 275.735 4.195 40 30 CIEBHM 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