smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1c([N-]C(=O)c2sc3ccccc3c2Cl)sc2c1CCCC2 ZINC000000675799 571319083 /nfs/dbraw/zinc/31/90/83/571319083.db2.gz YVVVUCJZQMRNBJ-UHFFFAOYSA-N -1 3 372.902 5.619 50 30 FKEAHM Cc1ccc2nc(-c3cccc(/N=C/c4cc(Cl)ccc4[O-])c3)oc2c1 ZINC000000704669 210262311 /nfs/dbraw/zinc/26/23/11/210262311.db2.gz JNWOYMXOCBCKPI-FSJBWODESA-N -1 3 362.816 5.913 50 30 FKEAHM N#Cc1c([N-]C(=O)c2sc3ccccc3c2Cl)sc2c1CCC2 ZINC000000707180 219314880 /nfs/dbraw/zinc/31/48/80/219314880.db2.gz VPNACIKOBYAJKG-UHFFFAOYSA-N -1 3 358.875 5.229 50 30 FKEAHM [O-]c1ccc2ccccc2c1/C=N/c1cccc(-c2nc3ccccc3o2)c1 ZINC000000710962 570452114 /nfs/dbraw/zinc/45/21/14/570452114.db2.gz VFPGZBNACZSLPA-MFKUBSTISA-N -1 3 364.404 6.104 50 30 FKEAHM O=C(Nc1ccc(/N=C/c2c([O-])cccc2Cl)cc1)c1ccc(F)cc1 ZINC000000711047 210264600 /nfs/dbraw/zinc/26/46/00/210264600.db2.gz IQBYLKLKAQQDAA-FSJBWODESA-N -1 3 368.795 5.188 50 30 FKEAHM Cc1ccc2nc(-c3cc(/N=C/c4ccccc4[O-])ccc3Cl)oc2c1 ZINC000000711568 219316144 /nfs/dbraw/zinc/31/61/44/219316144.db2.gz LWBWOVLZVRAPKG-FSJBWODESA-N -1 3 362.816 5.913 50 30 FKEAHM [O-]c1ccccc1/C=N/c1nc(-c2ccc(Br)cc2)cs1 ZINC000000799926 219322795 /nfs/dbraw/zinc/32/27/95/219322795.db2.gz WTVUGTOEOUDPLZ-GIJQJNRQSA-N -1 3 359.248 5.029 50 30 FKEAHM CCc1c(C)sc([N-]C(=O)c2cc(-c3ccccc3Cl)on2)c1C#N ZINC000000815188 568291125 /nfs/dbraw/zinc/29/11/25/568291125.db2.gz IKVOWGSKYOJKJS-UHFFFAOYSA-N -1 3 371.849 5.051 50 30 FKEAHM CCc1c(C)sc([N-]C(=O)c2sc3ccccc3c2Cl)c1C#N ZINC000000822247 568300981 /nfs/dbraw/zinc/30/09/81/568300981.db2.gz BJVSFBJYDILLRP-UHFFFAOYSA-N -1 3 360.891 5.611 50 30 FKEAHM CN(C)c1ccc(-c2nc3cc(/N=C/c4ccccc4[O-])ccc3o2)cc1 ZINC000000826379 219327877 /nfs/dbraw/zinc/32/78/77/219327877.db2.gz RXIPVBBAWWSCJB-OEAKJJBVSA-N -1 3 357.413 5.017 50 30 FKEAHM [O-]c1ccc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000000864777 571098746 /nfs/dbraw/zinc/09/87/46/571098746.db2.gz RDEXYINTAGBZJV-FOKLQQMPSA-N -1 3 366.779 5.744 50 30 FKEAHM Cc1ccc(-c2nc3cc(/N=C/c4cc(Cl)ccc4[O-])ccc3o2)cc1 ZINC000000864779 210283211 /nfs/dbraw/zinc/28/32/11/210283211.db2.gz QUUKEJGYXIBELH-FSJBWODESA-N -1 3 362.816 5.913 50 30 FKEAHM Cc1cccc(-c2nc3cc(/N=C/c4cc(Cl)ccc4[O-])ccc3o2)c1 ZINC000000864781 219333512 /nfs/dbraw/zinc/33/35/12/219333512.db2.gz GKTZSXCDEOFTJI-FSJBWODESA-N -1 3 362.816 5.913 50 30 FKEAHM CC(C)(C)c1cc2oc3c(c2c(/C=N/Cc2ccncc2)c1[O-])CCCC3 ZINC000000972636 571140924 /nfs/dbraw/zinc/14/09/24/571140924.db2.gz YTXIBTFNVGOSEN-AFUMVMLFSA-N -1 3 362.473 5.329 50 30 FKEAHM [O-]c1cc2ccccc2cc1/C=N/c1ccc2nn(-c3ccccc3)nc2c1 ZINC000000973093 570467105 /nfs/dbraw/zinc/46/71/05/570467105.db2.gz USEHMQMRKMJZHY-BUVRLJJBSA-N -1 3 364.408 5.030 50 30 FKEAHM CCc1c(C)sc([N-]C(=O)c2sc3cc(C)ccc3c2Cl)c1C#N ZINC000000995630 571141195 /nfs/dbraw/zinc/14/11/95/571141195.db2.gz CVVLLPACZXMHMF-UHFFFAOYSA-N -1 3 374.918 5.919 50 30 FKEAHM CC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3c(F)cccc3F)sc2C1 ZINC000000996167 210300532 /nfs/dbraw/zinc/30/05/32/210300532.db2.gz UWRIJODWUPQXQM-NSHDSACASA-N -1 3 374.456 5.301 50 30 FKEAHM CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3c(F)cccc3F)sc2C1 ZINC000000996168 219351658 /nfs/dbraw/zinc/35/16/58/219351658.db2.gz UWRIJODWUPQXQM-LLVKDONJSA-N -1 3 374.456 5.301 50 30 FKEAHM [O-]c1ccccc1/C=N/c1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000000999173 219351981 /nfs/dbraw/zinc/35/19/81/219351981.db2.gz ZGQPWHPMZNDBER-YDZHTSKRSA-N -1 3 361.832 5.194 50 30 FKEAHM Cc1c(/N=C/c2ccccc2[O-])cc2c(c1[N+](=O)[O-])C(C)(C)CC2(C)C ZINC000001033139 570472892 /nfs/dbraw/zinc/47/28/92/570472892.db2.gz ARYIUCZWEOVEEZ-SSDVNMTOSA-N -1 3 352.434 5.318 50 30 FKEAHM N#Cc1c(=S)[n-]c(SCc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000001037091 571143964 /nfs/dbraw/zinc/14/39/64/571143964.db2.gz DGTGSEWAADRXAQ-UHFFFAOYSA-N -1 3 369.902 5.250 50 30 FKEAHM CC(C)(C)CC(C)(C)NC(=O)c1cccc(/N=C/c2ccccc2[O-])c1 ZINC000001042424 570475261 /nfs/dbraw/zinc/47/52/61/570475261.db2.gz FQNHIXLDBSTZSG-OEAKJJBVSA-N -1 3 352.478 5.087 50 30 FKEAHM CCCC(/N=C/c1cc(Cl)ccc1[O-])/N=C/c1cc(Cl)ccc1O ZINC000001046322 219357685 /nfs/dbraw/zinc/35/76/85/219357685.db2.gz VPEHNCNZNYRKSA-OIEABDAFSA-N -1 3 365.260 5.069 50 30 FKEAHM CCOC(=O)c1c(/N=C/c2c([O-])ccc3ccccc32)sc2c1CCC2 ZINC000001060203 570478219 /nfs/dbraw/zinc/47/82/19/570478219.db2.gz RNFBNMPEQHRFBY-WSDLNYQXSA-N -1 3 365.454 5.023 50 30 FKEAHM COc1ccc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1[O-] ZINC000001087095 210314411 /nfs/dbraw/zinc/31/44/11/210314411.db2.gz RLCIYQFYLCKPAA-YDZHTSKRSA-N -1 3 374.465 5.737 50 30 FKEAHM [O-]c1ccc(/C=N/c2cccc3c(/N=C/c4ccc(O)cc4)cccc23)cc1 ZINC000001087102 570479794 /nfs/dbraw/zinc/47/97/94/570479794.db2.gz DNKLHOMVPPUPID-RYQLWAFASA-N -1 3 366.420 5.752 50 30 FKEAHM Cc1ccc(-c2cc(/N=C/c3ccccc3[O-])n(-c3ccccc3)n2)cc1 ZINC000001091315 203981832 /nfs/dbraw/zinc/98/18/32/203981832.db2.gz ABNXNGYIVXZDEG-LFVJCYFKSA-N -1 3 353.425 5.304 50 30 FKEAHM Cc1cc(/C=N/c2ccccc2[O-])c(C)n1-c1ccc(Br)cc1 ZINC000001091599 570480210 /nfs/dbraw/zinc/48/02/10/570480210.db2.gz UWULBBKXNDTWIH-CIAFOILYSA-N -1 3 369.262 5.313 50 30 FKEAHM COc1cccc(/C=N/c2ccc(Cl)cc2C(=O)c2ccccc2)c1[O-] ZINC000001095961 219368392 /nfs/dbraw/zinc/36/83/92/219368392.db2.gz YJQRBTUAISQJFF-YDZHTSKRSA-N -1 3 365.816 5.036 50 30 FKEAHM Cc1n[nH]c(C)c1Sc1ccccc1/N=C/c1c([O-])ccc2ccccc21 ZINC000001199581 219388949 /nfs/dbraw/zinc/38/89/49/219388949.db2.gz OSGWXNLDANGUEN-YDZHTSKRSA-N -1 3 373.481 5.787 50 30 FKEAHM Cc1n[nH]c(C)c1Sc1ccccc1/N=C/c1cc(Cl)ccc1[O-] ZINC000001199720 210333395 /nfs/dbraw/zinc/33/33/95/210333395.db2.gz CMILLQVIHWRJBK-KEBDBYFISA-N -1 3 357.866 5.287 50 30 FKEAHM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1sc(C)c(C)c1C#N ZINC000001199849 210334323 /nfs/dbraw/zinc/33/43/23/210334323.db2.gz YSDVGLGAOSJRSB-UHFFFAOYSA-N -1 3 371.849 5.106 50 30 FKEAHM CCOc1cc(Br)cc(/C=N/c2ccc(F)c(Cl)c2)c1[O-] ZINC000001226741 206870329 /nfs/dbraw/zinc/87/03/29/206870329.db2.gz GXMQXDIBKRLEFV-UFWORHAWSA-N -1 3 372.621 5.097 50 30 FKEAHM CCOC(=O)c1c(C)c(C)sc1/N=C/c1c([O-])ccc2ccccc21 ZINC000001275144 571046004 /nfs/dbraw/zinc/04/60/04/571046004.db2.gz NRAIHKZGCCRQID-SRZZPIQSSA-N -1 3 353.443 5.151 50 30 FKEAHM COc1cccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1[O-] ZINC000001413054 204005331 /nfs/dbraw/zinc/00/53/31/204005331.db2.gz HWLGFGPVNBIKRF-XMTZNVEYSA-N -1 3 368.502 5.236 50 30 FKEAHM COc1cccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1[O-] ZINC000001413056 571066679 /nfs/dbraw/zinc/06/66/79/571066679.db2.gz HWLGFGPVNBIKRF-CHOFVFFHSA-N -1 3 368.502 5.236 50 30 FKEAHM C=CCc1cccc(C=Nc2ccc3[nH]c(-c4ccccc4)nc3c2)c1[O-] ZINC000001433579 519141325 /nfs/dbraw/zinc/14/13/25/519141325.db2.gz GXECLMAWBHWUKE-BUVRLJJBSA-N -1 3 353.425 5.415 50 30 FKEAHM [O-]c1ccc(Cl)cc1/C=N/c1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000001433909 210353532 /nfs/dbraw/zinc/35/35/32/210353532.db2.gz WZJYADOVGUKETB-FOKLQQMPSA-N -1 3 366.779 5.744 50 30 FKEAHM Cc1ccccc1-c1nc2cc(/N=C/c3cc(Cl)ccc3[O-])ccc2o1 ZINC000001435022 204007144 /nfs/dbraw/zinc/00/71/44/204007144.db2.gz XXLZCPAUAYJEHU-FSJBWODESA-N -1 3 362.816 5.913 50 30 FKEAHM Cc1cccc2oc(-c3cccc(/N=C/c4cc(Cl)ccc4[O-])c3)nc21 ZINC000001435315 210352462 /nfs/dbraw/zinc/35/24/62/210352462.db2.gz IFCWJLWOYWSVMA-FSJBWODESA-N -1 3 362.816 5.913 50 30 FKEAHM Cc1ccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)c([O-])c1 ZINC000001499590 525967480 /nfs/dbraw/zinc/96/74/80/525967480.db2.gz XMRVUKCLUZHUBE-YDZHTSKRSA-N -1 3 351.833 5.401 50 30 FKEAHM O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3ccccc3[O-])cc2)cc1 ZINC000001501655 571123235 /nfs/dbraw/zinc/12/32/35/571123235.db2.gz HVACYCUUXHEKBF-DEDYPNTBSA-N -1 3 350.399 5.202 50 30 FKEAHM [O-]c1ccccc1/C=N/c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 ZINC000001505742 204010724 /nfs/dbraw/zinc/01/07/24/204010724.db2.gz ULVYEDVYODHWTI-YDZHTSKRSA-N -1 3 362.816 5.528 50 30 FKEAHM CCOc1ccc(-c2nc3cc(/N=C/c4ccccc4[O-])ccc3o2)cc1 ZINC000001511721 219409923 /nfs/dbraw/zinc/40/99/23/219409923.db2.gz YHBAPEWDCVQEMW-OEAKJJBVSA-N -1 3 358.397 5.350 50 30 FKEAHM O=C1C=C/C(=C(\c2ccccc2)c2ccc([O-])c3ccccc23)c2ccccc21 ZINC000001700221 210365977 /nfs/dbraw/zinc/36/59/77/210365977.db2.gz VDDWRTZCUJCDJM-PNHLSOANSA-N -1 3 374.439 6.257 50 30 FKEAHM CCCCCCCn1c2ccccc2nc1NCc1cc(Cl)ccc1[O-] ZINC000001740890 210368444 /nfs/dbraw/zinc/36/84/44/210368444.db2.gz VQFAFLBKRIRGCA-UHFFFAOYSA-N -1 3 371.912 5.978 50 30 FKEAHM CCN(CC)c1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)c([O-])c1 ZINC000001807162 520883269 /nfs/dbraw/zinc/88/32/69/520883269.db2.gz FJUOBOJIJWDANZ-JJIBRWJFSA-N -1 3 359.473 5.733 50 30 FKEAHM Cc1c(/C(=N\[O-])c2ccc(Cl)cc2)oc2ccc3c(C)cc(=O)oc3c12 ZINC000001837501 210372470 /nfs/dbraw/zinc/37/24/70/210372470.db2.gz CMZRRZPSKLLAMU-PYCFMQQDSA-N -1 3 367.788 5.036 50 30 FKEAHM [O-]c1ccc(Br)cc1/C=N/n1c2ccccc2c2ccccc21 ZINC000001881716 204022029 /nfs/dbraw/zinc/02/20/29/204022029.db2.gz RYKVXAXJRLHLIL-CIAFOILYSA-N -1 3 365.230 5.145 50 30 FKEAHM [O-]c1ccc(Cl)cc1/C=N/c1cccc(-c2nc3ccccc3s2)c1 ZINC000001881819 210373240 /nfs/dbraw/zinc/37/32/40/210373240.db2.gz VLJHYAFWURDJCG-WSDLNYQXSA-N -1 3 364.857 6.073 50 30 FKEAHM CCCCCCCCOc1ccc(/C=N/[C@@H](C)c2ccccc2)c([O-])c1 ZINC000001881955 204022680 /nfs/dbraw/zinc/02/26/80/204022680.db2.gz MZXUEHNGGKFSRJ-YJZSVRAESA-N -1 3 353.506 6.312 50 30 FKEAHM CCCCCCCCOc1ccc(/C=N/[C@H](C)c2ccccc2)c([O-])c1 ZINC000001881958 571199032 /nfs/dbraw/zinc/19/90/32/571199032.db2.gz MZXUEHNGGKFSRJ-CBTVAOKPSA-N -1 3 353.506 6.312 50 30 FKEAHM CCCCCc1ccc(/N=C/c2ccc(OC[C@@H](C)CC)cc2[O-])cc1 ZINC000001883757 570509466 /nfs/dbraw/zinc/50/94/66/570509466.db2.gz WSZHJQJKXKORSV-MRSJDWDVSA-N -1 3 353.506 6.300 50 30 FKEAHM CCCCCc1ccc(/N=C/c2ccc(OC[C@H](C)CC)cc2[O-])cc1 ZINC000001883759 570509244 /nfs/dbraw/zinc/50/92/44/570509244.db2.gz WSZHJQJKXKORSV-WCIBBKAISA-N -1 3 353.506 6.300 50 30 FKEAHM CCCCCCc1ccc(/N=C/c2ccc(OC[C@@H](C)CC)cc2[O-])cc1 ZINC000001884503 219421415 /nfs/dbraw/zinc/42/14/15/219421415.db2.gz PILSEIQJOYYBQI-HLNOYYKJSA-N -1 3 367.533 6.691 50 30 FKEAHM CCCCCCc1ccc(/N=C/c2ccc(OC[C@H](C)CC)cc2[O-])cc1 ZINC000001884506 570509255 /nfs/dbraw/zinc/50/92/55/570509255.db2.gz PILSEIQJOYYBQI-WZGTUUFSSA-N -1 3 367.533 6.691 50 30 FKEAHM CCCCCCCOc1ccc(/C=N/c2ccc(CCCC)cc2)c([O-])c1 ZINC000001919883 571201733 /nfs/dbraw/zinc/20/17/33/571201733.db2.gz RYSKDYWXDPIPOX-NCELDCMTSA-N -1 3 367.533 6.835 50 30 FKEAHM CCCCCOc1ccc(/C=N/c2ccc(CCCCC)cc2)c([O-])c1 ZINC000001950447 210375282 /nfs/dbraw/zinc/37/52/82/210375282.db2.gz PFYIMJKHFPGKCI-HKOYGPOVSA-N -1 3 353.506 6.445 50 30 FKEAHM CCCCCCCCCOc1ccc(/C=N/[C@@H](C)c2ccccc2)c([O-])c1 ZINC000001950478 570510412 /nfs/dbraw/zinc/51/04/12/570510412.db2.gz SOGGJMHAXUUKHU-VHVXKRGMSA-N -1 3 367.533 6.702 50 30 FKEAHM CCCCCCCCCOc1ccc(/C=N/[C@H](C)c2ccccc2)c([O-])c1 ZINC000001950481 570510468 /nfs/dbraw/zinc/51/04/68/570510468.db2.gz SOGGJMHAXUUKHU-GBDYGOOCSA-N -1 3 367.533 6.702 50 30 FKEAHM N#Cc1c(SCc2ccccc2)nc2c(c1-c1ccc([O-])cc1)CCCC2 ZINC000002027094 571206786 /nfs/dbraw/zinc/20/67/86/571206786.db2.gz ASRZGVFSLGKJPI-UHFFFAOYSA-N -1 3 372.493 5.497 50 30 FKEAHM Cc1ccc(Cl)cc1-c1ccc(/C=N/c2cc(C(C)(C)C)ccc2[O-])o1 ZINC000002069973 210379172 /nfs/dbraw/zinc/37/91/72/210379172.db2.gz FPEOATBWKHFMKV-ZMOGYAJESA-N -1 3 367.876 6.662 50 30 FKEAHM CC(C)(C)c1ccc(C(C)(C)C)c(/N=C/c2c([O-])ccc3ccccc32)c1 ZINC000002182797 204028424 /nfs/dbraw/zinc/02/84/24/204028424.db2.gz QTKBXMTVLSGLRS-WGOQTCKBSA-N -1 3 359.513 6.891 50 30 FKEAHM [O-]c1ccc2cc(Br)ccc2c1/C=N/c1ccc(Cl)cn1 ZINC000002266443 210388110 /nfs/dbraw/zinc/38/81/10/210388110.db2.gz AILPJUVVPIFMDB-AWQFTUOYSA-N -1 3 361.626 5.107 50 30 FKEAHM CCCCCCCn1c2ccccc2nc1/N=C/c1cc(Cl)ccc1[O-] ZINC000002268657 571294129 /nfs/dbraw/zinc/29/41/29/571294129.db2.gz OOOHAAICYSNPGS-HZHRSRAPSA-N -1 3 369.896 6.116 50 30 FKEAHM CCCCCCCCCn1c2ccccc2nc1/N=C/c1ccccc1[O-] ZINC000002269682 571294206 /nfs/dbraw/zinc/29/42/06/571294206.db2.gz XFSCUOLJALWOQU-HKOYGPOVSA-N -1 3 363.505 6.243 50 30 FKEAHM [O-]c1cc2ccccc2cc1/C=N/N=C/c1c2ccccc2cc2ccccc21 ZINC000002272362 210388600 /nfs/dbraw/zinc/38/86/00/210388600.db2.gz VSRGBUCEZIIUEK-ODBZBXGJSA-N -1 3 374.443 6.305 50 30 FKEAHM CC(C)(C)c1cc2oc3c(c2c(/C=N/Cc2ccccc2)c1[O-])CCCC3 ZINC000002283801 204031405 /nfs/dbraw/zinc/03/14/05/204031405.db2.gz ACMKNTHSNLWYEP-MFKUBSTISA-N -1 3 361.485 5.934 50 30 FKEAHM CCOC(=O)c1c(-c2ccc(C)cc2)csc1/N=C/c1ccccc1[O-] ZINC000002290183 521369984 /nfs/dbraw/zinc/36/99/84/521369984.db2.gz AFELWNIFHFAQNS-WSDLNYQXSA-N -1 3 365.454 5.356 50 30 FKEAHM [O-]c1ccc2oc3c(c2c1/C=N/c1ccc(Br)cc1)CCCC3 ZINC000002295706 570643578 /nfs/dbraw/zinc/64/35/78/570643578.db2.gz IDZHUHXCWYYUIK-SRZZPIQSSA-N -1 3 370.246 5.530 50 30 FKEAHM CCCCCCCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002750924 520019932 /nfs/dbraw/zinc/01/99/32/520019932.db2.gz GPYMUHYLHHIAHF-UHFFFAOYSA-N -1 3 366.354 5.412 50 30 FKEAHM [O-]c1ccc(Br)cc1/C=N/c1ccc2c(c1)oc1ccccc12 ZINC000002771275 219463907 /nfs/dbraw/zinc/46/39/07/219463907.db2.gz LIRRZRRKNFMHCW-SRZZPIQSSA-N -1 3 366.214 5.805 50 30 FKEAHM N#Cc1c([N-]C(=O)C(F)(F)F)scc1-c1ccc(Cl)cc1Cl ZINC000002773203 571340860 /nfs/dbraw/zinc/34/08/60/571340860.db2.gz CNYZXQHUOLGZSQ-UHFFFAOYSA-N -1 3 365.163 5.094 50 30 FKEAHM Cc1cc(C(=O)[N-]c2sc(C)c(-c3ccc(C(C)C)cc3)c2C#N)no1 ZINC000002792940 571341040 /nfs/dbraw/zinc/34/10/40/571341040.db2.gz ZFANFFZEZFDLPG-UHFFFAOYSA-N -1 3 365.458 5.267 50 30 FKEAHM O=[N+]([O-])c1ccc(-c2ccc(/N=C/c3c([O-])ccc4ccccc43)cc2)cc1 ZINC000002837471 571341358 /nfs/dbraw/zinc/34/13/58/571341358.db2.gz NCUMXWVLFJUMEX-BUVRLJJBSA-N -1 3 368.392 5.871 50 30 FKEAHM N#Cc1c(SCc2ccccc2)nc2c(c1-c1ccc([O-])cc1)CCC2 ZINC000002841403 571341329 /nfs/dbraw/zinc/34/13/29/571341329.db2.gz CPVGEOGWLSDRKD-UHFFFAOYSA-N -1 3 358.466 5.107 50 30 FKEAHM CCCCCCCCCCCC(=O)Nc1c([O-])c2ccccc2[nH]c1=O ZINC000003022479 519981926 /nfs/dbraw/zinc/98/19/26/519981926.db2.gz BXXOCUOSGNSMCT-UHFFFAOYSA-N -1 3 358.482 5.093 50 30 FKEAHM Cc1ccc2nc(-c3ccc(/N=C/c4cc(Cl)ccc4[O-])cc3)oc2c1 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CC1=Nc2ccccc2[N-]C(=NC(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000004281926 207010453 /nfs/dbraw/zinc/01/04/53/207010453.db2.gz WOIVRYMNBYSSHU-OAQYLSRUSA-N -1 3 353.425 5.227 50 30 FKEAHM [O-]/N=C(\Nc1ccc(OC(F)(F)F)cc1)c1c(Cl)cccc1Cl ZINC000004366058 207016985 /nfs/dbraw/zinc/01/69/85/207016985.db2.gz PFAUQBCVXBSDBT-UHFFFAOYSA-N -1 3 365.138 5.140 50 30 FKEAHM CCCc1ccc([O-])c(/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000004499451 204141821 /nfs/dbraw/zinc/14/18/21/204141821.db2.gz MCAVYXRRAPKLHK-FSJBWODESA-N -1 3 374.267 6.662 50 30 FKEAHM Cc1cccc(N=CC2=CC(=[NH+][N-]c3ccc(Cl)cc3)C=CC2=O)c1[O-] ZINC000004550763 571270953 /nfs/dbraw/zinc/27/09/53/571270953.db2.gz DDFTXZWPGAIMFJ-OBMCKAMCSA-N -1 3 365.820 6.226 50 30 FKEAHM O=C(Nc1cccc(/N=C/c2ccccc2[O-])c1)c1cccc(Cl)c1 ZINC000004551010 204145968 /nfs/dbraw/zinc/14/59/68/204145968.db2.gz ALVPKFBIVCUZJT-LPYMAVHISA-N -1 3 350.805 5.049 50 30 FKEAHM Cc1ccc(N=CC2=CC(=[NH+][N-]c3ccc(Cl)cc3)C=CC2=O)c([O-])c1 ZINC000004575840 570843460 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[O-]c1ccc2ccccc2c1/C=N/c1ccc(Br)cc1Cl ZINC000004672020 207036385 /nfs/dbraw/zinc/03/63/85/207036385.db2.gz WDNCHXFLINDQTP-KEBDBYFISA-N -1 3 360.638 5.712 50 30 FKEAHM COc1cccc(Oc2ccc(/N=C/c3ccc4ccccc4c3[O-])cc2)c1 ZINC000004676903 571158027 /nfs/dbraw/zinc/15/80/27/571158027.db2.gz CYCKAABJIPNSSB-PCLIKHOPSA-N -1 3 369.420 6.097 50 30 FKEAHM [O-]c1ccc(Br)cc1/C=N/c1ccccc1-c1ccccc1 ZINC000004705046 571167061 /nfs/dbraw/zinc/16/70/61/571167061.db2.gz UEFIOIFBOMOFQP-FYJGNVAPSA-N -1 3 352.231 5.572 50 30 FKEAHM [O-]c1ccc2ccccc2c1C=NNc1c(Cl)cc(Cl)cc1Cl ZINC000004738287 207043505 /nfs/dbraw/zinc/04/35/05/207043505.db2.gz LTOMTZUNJDPJOB-ZVBGSRNCSA-N -1 3 365.647 5.952 50 30 FKEAHM Cc1sc([N-]C(=O)c2sc3cccc(F)c3c2Cl)c(C#N)c1C ZINC000004750388 571229987 /nfs/dbraw/zinc/22/99/87/571229987.db2.gz QGGROFWYXSGKDF-UHFFFAOYSA-N -1 3 364.854 5.496 50 30 FKEAHM Cc1cccc(C)c1Nc1oc2ccccc2c1/N=C/c1ccccc1[O-] ZINC000004750747 570669360 /nfs/dbraw/zinc/66/93/60/570669360.db2.gz DJMOXBFSEDCPQN-ZVHZXABRSA-N -1 3 356.425 6.249 50 30 FKEAHM CCc1c(C)sc([N-]C(=O)c2cc(-c3ccc(Cl)cc3)on2)c1C#N ZINC000004880556 570553969 /nfs/dbraw/zinc/55/39/69/570553969.db2.gz GFBRHGWMRWOPCO-UHFFFAOYSA-N -1 3 371.849 5.051 50 30 FKEAHM CCc1c(C)sc([N-]C(=O)c2cc(-c3cccc(Cl)c3)on2)c1C#N ZINC000004881051 570553872 /nfs/dbraw/zinc/55/38/72/570553872.db2.gz IXZGMYWYCADXSM-UHFFFAOYSA-N -1 3 371.849 5.051 50 30 FKEAHM Cc1ccc(-c2csc(N=NCc3c([O-])ccc4ccccc43)n2)cc1 ZINC000004975300 525782013 /nfs/dbraw/zinc/78/20/13/525782013.db2.gz QSSFVEANJGWYQI-WSDLNYQXSA-N -1 3 359.454 5.423 50 30 FKEAHM [O-]c1cc(O)ccc1/C=N/c1nc2c(s1)CCCCCCCCCC2 ZINC000005054594 207076946 /nfs/dbraw/zinc/07/69/46/207076946.db2.gz ZIITWTHXFYGBPD-KGENOOAVSA-N -1 3 358.507 5.524 50 30 FKEAHM [O-]c1ccc(/C=N/c2nc3c(s2)CCCCCCCCCC3)c(O)c1 ZINC000005054594 207076943 /nfs/dbraw/zinc/07/69/43/207076943.db2.gz ZIITWTHXFYGBPD-KGENOOAVSA-N -1 3 358.507 5.524 50 30 FKEAHM [O-]c1ccc2ccccc2c1/C=N/NC(=S)C12CC3CC(CC(C3)C1)C2 ZINC000005060469 204189515 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C=CCc1cccc(C=NNc2c(Cl)cc(Cl)cc2Cl)c1[O-] ZINC000005382828 207097206 /nfs/dbraw/zinc/09/72/06/207097206.db2.gz RGIFGTMEVIVSLL-AWQFTUOYSA-N -1 3 355.652 5.527 50 30 FKEAHM C=C(C)COc1ccc(-c2onc(C)c2-c2ccc(Cl)cc2)c([O-])c1 ZINC000005451450 570658538 /nfs/dbraw/zinc/65/85/38/570658538.db2.gz NBPIBLBFQZHKJV-UHFFFAOYSA-N -1 3 355.821 5.631 50 30 FKEAHM O=C(/C(=C/c1ccc([O-])cc1)c1nc2ccccc2s1)c1ccccc1 ZINC000005735005 204223724 /nfs/dbraw/zinc/22/37/24/204223724.db2.gz XQVHOHFKFPISIJ-JXAWBTAJSA-N -1 3 357.434 5.425 50 30 FKEAHM O=C(c1ccccc1)c1cccc(/N=C/c2c([O-])ccc3ccccc32)c1 ZINC000006222805 204240884 /nfs/dbraw/zinc/24/08/84/204240884.db2.gz IDEZTZHKWHAMAY-PCLIKHOPSA-N -1 3 351.405 5.527 50 30 FKEAHM O=C(/C=C/c1cc([O-])ccc1Br)c1ccc(Cl)cc1Cl ZINC000006861872 207173060 /nfs/dbraw/zinc/17/30/60/207173060.db2.gz CBTIWLQKTSAFRJ-LZCJLJQNSA-N -1 3 372.045 5.358 50 30 FKEAHM COc1cc(C(=O)/C=C/c2csc(-c3ccc(Cl)cc3)n2)ccc1[O-] ZINC000008322793 522050274 /nfs/dbraw/zinc/05/02/74/522050274.db2.gz 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ZINC000012379155 571118045 /nfs/dbraw/zinc/11/80/45/571118045.db2.gz WRVSDYNOUZQYNQ-UHFFFAOYSA-N -1 3 373.481 5.282 50 30 FKEAHM C=CCc1cc(OC)cc(CN(C)Cc2cccc(Cl)c2Cl)c1[O-] ZINC000012691144 220018457 /nfs/dbraw/zinc/01/84/57/220018457.db2.gz QVSZKRQXGMTJFA-UHFFFAOYSA-N -1 3 366.288 5.068 50 30 FKEAHM COc1cc(/C=C/C(=O)c2ccc(OCCC(C)C)cc2)cc(Cl)c1[O-] ZINC000013039602 521941467 /nfs/dbraw/zinc/94/14/67/521941467.db2.gz IUWDSDJDORQNEN-RUDMXATFSA-N -1 3 374.864 5.375 50 30 FKEAHM [O-]c1ccc2ccccc2c1/C=N/c1ccccc1-c1nc2ccccc2[nH]1 ZINC000013119353 220058923 /nfs/dbraw/zinc/05/89/23/220058923.db2.gz HOCMMTZZDZSGGP-MFKUBSTISA-N -1 3 363.420 5.839 50 30 FKEAHM C=CCc1cccc(/C=N/c2cccn3cc(-c4ccccc4)nc23)c1[O-] ZINC000013120119 519140453 /nfs/dbraw/zinc/14/04/53/519140453.db2.gz HAMJBWQUARVZFM-BUVRLJJBSA-N -1 3 353.425 5.186 50 30 FKEAHM [O-]c1ccc(Br)cc1/C=N/c1ccc2c3c(cccc31)CC2 ZINC000013122566 570773800 /nfs/dbraw/zinc/77/38/00/570773800.db2.gz JDNLNJFDBFKBCG-SRZZPIQSSA-N -1 3 352.231 5.157 50 30 FKEAHM CCc1noc(C)c1C(=O)[N-]c1sc(C)c(-c2ccc(C)cc2)c1C#N ZINC000013327801 220063653 /nfs/dbraw/zinc/06/36/53/220063653.db2.gz DNTLJFRFLQTDIW-UHFFFAOYSA-N -1 3 365.458 5.015 50 30 FKEAHM N#Cc1ccsc1[N-]C(=O)c1oc2ccccc2c1COc1ccccc1 ZINC000014142160 570517552 /nfs/dbraw/zinc/51/75/52/570517552.db2.gz VSAGRIXYDPDUEW-UHFFFAOYSA-N -1 3 374.421 5.197 50 30 FKEAHM Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1ccccc1[O-] ZINC000016347258 220182714 /nfs/dbraw/zinc/18/27/14/220182714.db2.gz QQLHBEPCNPQWPR-FSJBWODESA-N -1 3 362.816 5.913 50 30 FKEAHM Cc1ccc2oc(-c3ccc(/N=C/c4cc(Cl)ccc4[O-])cc3)nc2c1 ZINC000017206901 220209043 /nfs/dbraw/zinc/20/90/43/220209043.db2.gz FDCUCLADZJWVMV-FSJBWODESA-N -1 3 362.816 5.913 50 30 FKEAHM [O-]c1ccccc1/C=N/c1cccc2c(/N=C/c3ccccc3O)cccc12 ZINC000017970151 211188468 /nfs/dbraw/zinc/18/84/68/211188468.db2.gz RXOCGLLBLVONOM-RYQLWAFASA-N -1 3 366.420 5.752 50 30 FKEAHM [O-]/N=C(\c1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Cl ZINC000018045520 220222241 /nfs/dbraw/zinc/22/22/41/220222241.db2.gz VZCLLMDAMDVQMG-SRZZPIQSSA-N -1 3 369.557 5.287 50 30 FKEAHM Cc1ccccc1/C([O-])=N/c1c(=O)oc2ccccc2c1NC1CCCC1 ZINC000020418422 570915676 /nfs/dbraw/zinc/91/56/76/570915676.db2.gz AAKUUVCZJGQBMZ-UHFFFAOYSA-N -1 3 362.429 5.092 50 30 FKEAHM O=C(Nc1ccc(/N=C/c2c([O-])ccc3ccccc32)cc1)c1ccco1 ZINC000023605766 211391807 /nfs/dbraw/zinc/39/18/07/211391807.db2.gz FMMFVDYJIKHUKY-OEAKJJBVSA-N -1 3 356.381 5.141 50 30 FKEAHM O=C1C=C/C(=C(/c2ccccc2)c2ccc([O-])c3ccccc23)c2ccccc21 ZINC000031291977 571054139 /nfs/dbraw/zinc/05/41/39/571054139.db2.gz VDDWRTZCUJCDJM-SOYKGTTHSA-N -1 3 374.439 6.257 50 30 FKEAHM CCCCCCCCCCCCCCCc1noc2c1/C(=N/[O-])CCC2 ZINC000033354132 520005024 /nfs/dbraw/zinc/00/50/24/520005024.db2.gz RNLIKOTUPOSZCH-FCDQGJHFSA-N -1 3 362.558 6.823 50 30 FKEAHM O=C([N-]c1nnc(SC/C=C\c2ccccc2)s1)c1cccs1 ZINC000033475952 527585044 /nfs/dbraw/zinc/58/50/44/527585044.db2.gz FGABNBRHCVHXGQ-YWEYNIOJSA-N -1 3 359.501 5.041 50 30 FKEAHM [O-]c1ccc(Cl)cc1-c1cnc(N=NCc2ccc(Cl)cc2)s1 ZINC000035653486 570953943 /nfs/dbraw/zinc/95/39/43/570953943.db2.gz OCZROWOGQCPDTM-DNTJNYDQSA-N -1 3 364.257 5.269 50 30 FKEAHM C=CCc1c2c(ccc1[O-])n(-c1cccc(Cl)c1)c(C)c2C(=O)OCC ZINC000038495436 206336534 /nfs/dbraw/zinc/33/65/34/206336534.db2.gz CVNPJQCTVVKQCR-UHFFFAOYSA-N -1 3 369.848 5.203 50 30 FKEAHM COc1ccc([O-])c(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c1 ZINC000038534883 571085510 /nfs/dbraw/zinc/08/55/10/571085510.db2.gz YPUMRWNZMGCYMW-FSJBWODESA-N -1 3 374.352 5.136 50 30 FKEAHM C=CCc1c2c(ccc1[O-])n(-c1ccc(Cl)cc1)c(C)c2C(=O)OCC ZINC000038933052 570958428 /nfs/dbraw/zinc/95/84/28/570958428.db2.gz FIGSGQRSCSAMTP-UHFFFAOYSA-N -1 3 369.848 5.203 50 30 FKEAHM COc1ccc(-c2csc(N=NC3C[C@@H](C)CC(C)(C)C3)n2)c([O-])c1 ZINC000043761290 571133371 /nfs/dbraw/zinc/13/33/71/571133371.db2.gz UDYFEOKNKQAOAJ-JLKNBBFOSA-N -1 3 359.495 5.138 50 30 FKEAHM COc1ccc(-c2csc(N=NC3C[C@H](C)CC(C)(C)C3)n2)c([O-])c1 ZINC000043761291 210045808 /nfs/dbraw/zinc/04/58/08/210045808.db2.gz UDYFEOKNKQAOAJ-QVEXMKBASA-N -1 3 359.495 5.138 50 30 FKEAHM [O-]c1ccc(Cl)cc1C=Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 ZINC000050704565 570550278 /nfs/dbraw/zinc/55/02/78/570550278.db2.gz OZJMQDKRCMPTRK-FOKLQQMPSA-N -1 3 365.795 5.479 50 30 FKEAHM O=C(/C=C/c1cc(Br)ccc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000051330039 205182427 /nfs/dbraw/zinc/18/24/27/205182427.db2.gz RDZORIRJZATANU-GORDUTHDSA-N -1 3 372.045 5.358 50 30 FKEAHM N#Cc1c([N-]C(=O)c2ccc(-c3ccccc3Cl)o2)sc2c1CCC2 ZINC000060526418 212021352 /nfs/dbraw/zinc/02/13/52/212021352.db2.gz SPUXPCYQYSMACR-UHFFFAOYSA-N -1 3 368.845 5.274 50 30 FKEAHM C/C(=N\c1cccc(/N=C(\C)c2ccccc2O)c1C)c1ccccc1[O-] ZINC000068603049 221316772 /nfs/dbraw/zinc/31/67/72/221316772.db2.gz KUCNIHHVFRWMLN-MUPYBJATSA-N -1 3 358.441 5.688 50 30 FKEAHM [O-]c1ccccc1/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000068603174 571153358 /nfs/dbraw/zinc/15/33/58/571153358.db2.gz OVTAAKYSEOYIDE-ZVHZXABRSA-N -1 3 373.843 5.649 50 30 FKEAHM Cc1ccc(C2=NN(C3=CC(=O)CC(C)(C)C3)[C@H](c3ccccc3[O-])C2)cc1 ZINC000080325289 570635002 /nfs/dbraw/zinc/63/50/02/570635002.db2.gz KWJDSQMXMFBSAF-QFIPXVFZSA-N -1 3 374.484 5.125 50 30 FKEAHM Cc1ccc(C2=NN(C3=CC(=O)CC(C)(C)C3)[C@@H](c3ccccc3[O-])C2)cc1 ZINC000080325293 570635011 /nfs/dbraw/zinc/63/50/11/570635011.db2.gz KWJDSQMXMFBSAF-JOCHJYFZSA-N -1 3 374.484 5.125 50 30 FKEAHM O=C(Nc1cccc(/N=C/c2ccccc2[O-])c1)c1cc2ccccc2o1 ZINC000080340248 571329031 /nfs/dbraw/zinc/32/90/31/571329031.db2.gz GARSYJFAUZTXOL-OEAKJJBVSA-N -1 3 356.381 5.141 50 30 FKEAHM Cc1ccc(-c2nc3ccc(/N=C/c4cc(Cl)ccc4[O-])cc3o2)cc1 ZINC000095482065 570461770 /nfs/dbraw/zinc/46/17/70/570461770.db2.gz FEETZYWKHNYLRZ-FSJBWODESA-N -1 3 362.816 5.913 50 30 FKEAHM COc1ccc2cc(C(=O)/C=C\c3cc(Cl)c([O-])c(OC)c3)ccc2c1 ZINC000096766664 525619935 /nfs/dbraw/zinc/61/99/35/525619935.db2.gz DDABACFSUYDVTH-BAQGIRSFSA-N -1 3 368.816 5.112 50 30 FKEAHM O=C(/C(=C\c1ccc([O-])cc1)c1nc2ccccc2s1)c1ccccc1 ZINC000096767022 222129045 /nfs/dbraw/zinc/12/90/45/222129045.db2.gz XQVHOHFKFPISIJ-NBVRZTHBSA-N -1 3 357.434 5.425 50 30 FKEAHM O=C(/C(=C\c1cccc([O-])c1)c1nc2ccccc2s1)c1ccccc1 ZINC000096767029 222129068 /nfs/dbraw/zinc/12/90/68/222129068.db2.gz QBAKHJAOZGJEKB-NBVRZTHBSA-N -1 3 357.434 5.425 50 30 FKEAHM COc1cc(/C=C\C(=O)c2ccc(OCCC(C)C)cc2)cc(Cl)c1[O-] ZINC000096792068 521982570 /nfs/dbraw/zinc/98/25/70/521982570.db2.gz IUWDSDJDORQNEN-WTKPLQERSA-N -1 3 374.864 5.375 50 30 FKEAHM COc1cc(/C=C\C(=O)c2ccc(-c3ccccc3)s2)cc(OC)c1[O-] ZINC000096891570 521982276 /nfs/dbraw/zinc/98/22/76/521982276.db2.gz FKXFUGBSRMJEQX-HJWRWDBZSA-N -1 3 366.438 5.034 50 30 FKEAHM CC(C)c1ccc(-c2nc3ccc(/N=C/c4ccccc4[O-])cc3o2)cc1 ZINC000098086879 571236584 /nfs/dbraw/zinc/23/65/84/571236584.db2.gz WATQNFBKBBPDEU-ZVHZXABRSA-N -1 3 356.425 6.074 50 30 FKEAHM [O-]c1ccc2ccccc2c1/C=N/c1ccc2oc(-c3cccnc3)nc2c1 ZINC000098086929 222228044 /nfs/dbraw/zinc/22/80/44/222228044.db2.gz PTAYVHJBFQSVMR-AFUMVMLFSA-N -1 3 365.392 5.499 50 30 FKEAHM [O-]c1ccc(Br)cc1/C=N/c1ccccc1Nc1ccccc1 ZINC000098086979 209204935 /nfs/dbraw/zinc/20/49/35/209204935.db2.gz QYQWMZPLABBTIV-FYJGNVAPSA-N -1 3 367.246 5.649 50 30 FKEAHM CC12CC3(C)CC(C)(C1)CC(C/N=C/c1c([O-])ccc4ccccc41)(C2)C3 ZINC000100099889 520787507 /nfs/dbraw/zinc/78/75/07/520787507.db2.gz JOXJRBVBYBJMLO-NSKAYECMSA-N -1 3 361.529 6.351 50 30 FKEAHM CCCCCCCCCCCCCCC/C(=N\[O-])c1cc(C)ccc1O ZINC000100166862 519988870 /nfs/dbraw/zinc/98/88/70/519988870.db2.gz FAAJNIKXSIUEQE-ZNTNEXAZSA-N -1 3 361.570 7.360 50 30 FKEAHM CCCCCCCCCCOc1ccc(O)c(/C(=N/[O-])c2ccccc2)c1 ZINC000100167530 222238592 /nfs/dbraw/zinc/23/85/92/222238592.db2.gz DOQWANPQSKPIQH-WCWDXBQESA-N -1 3 369.505 6.138 50 30 FKEAHM CCCCCCCCCCOc1ccc(/C(=N/[O-])c2ccccc2)c(O)c1 ZINC000100167537 222238094 /nfs/dbraw/zinc/23/80/94/222238094.db2.gz VVVUILSCKIBVLM-WCWDXBQESA-N -1 3 369.505 6.138 50 30 FKEAHM CCCCCCCCCCOc1ccc(/C(=N/O)c2ccccc2)c([O-])c1 ZINC000100167537 222238092 /nfs/dbraw/zinc/23/80/92/222238092.db2.gz VVVUILSCKIBVLM-WCWDXBQESA-N -1 3 369.505 6.138 50 30 FKEAHM Cn1nc(-c2ccccc2)c(/C=N/[O-])c1Sc1ccc(C(C)(C)C)cc1 ZINC000100271476 570550789 /nfs/dbraw/zinc/55/07/89/570550789.db2.gz WHEVGVRBVJOMEN-HYARGMPZSA-N -1 3 365.502 5.344 50 30 FKEAHM CCCCCCCCCCCCCCCCCC/N=C/c1ccccc1[O-] ZINC000100287989 519993461 /nfs/dbraw/zinc/99/34/61/519993461.db2.gz DRNHFYUTXHIEFC-WNAAXNPUSA-N -1 3 373.625 8.073 50 30 FKEAHM Cc1cc(/N=C/c2ccccc2[O-])ccc1NC(=O)c1cc2ccccc2o1 ZINC000100301440 222241045 /nfs/dbraw/zinc/24/10/45/222241045.db2.gz FIDAUUQMYVPXBE-ZVHZXABRSA-N -1 3 370.408 5.450 50 30 FKEAHM CCCCCCCCCCCCCCCc1noc2c1/C(=N\[O-])CCC2 ZINC000100400373 520006322 /nfs/dbraw/zinc/00/63/22/520006322.db2.gz RNLIKOTUPOSZCH-NMWGTECJSA-N -1 3 362.558 6.823 50 30 FKEAHM Cc1cccc(C(=O)Nc2ccc(/N=C/c3cc(Cl)ccc3[O-])cc2)c1 ZINC000100507619 209214228 /nfs/dbraw/zinc/21/42/28/209214228.db2.gz IKNNQLHYCCCTLU-YDZHTSKRSA-N -1 3 364.832 5.357 50 30 FKEAHM Cc1cc([O-])c(/N=C/c2ccc(-c3cccc(Br)c3)o2)cc1C ZINC000100517773 222246691 /nfs/dbraw/zinc/24/66/91/222246691.db2.gz ZLJGMHCSQIWBTL-SRZZPIQSSA-N -1 3 370.246 5.782 50 30 FKEAHM [O-]c1ccc(/N=C/c2ccc(OCc3cccc4ccccc43)cc2)cc1 ZINC000100544991 222246237 /nfs/dbraw/zinc/24/62/37/222246237.db2.gz CIRVTSUWOUJUPP-PCLIKHOPSA-N -1 3 353.421 5.875 50 30 FKEAHM CCOC(=O)c1cc(CC)sc1/N=C/c1c([O-])ccc2ccccc21 ZINC000100715451 222250933 /nfs/dbraw/zinc/25/09/33/222250933.db2.gz WCVNBBDGDTULRC-CIAFOILYSA-N -1 3 353.443 5.097 50 30 FKEAHM CCCCCCCCCCCCSCc1ccc([O-])c2ncccc12 ZINC000100733969 520014389 /nfs/dbraw/zinc/01/43/89/520014389.db2.gz NPVHRUDBDHMWMS-UHFFFAOYSA-N -1 3 359.579 7.095 50 30 FKEAHM Cc1c(/C(=N/[O-])c2ccc(Cl)cc2)oc2ccc3c(C)cc(=O)oc3c12 ZINC000100746107 222251958 /nfs/dbraw/zinc/25/19/58/222251958.db2.gz CMZRRZPSKLLAMU-RELWKKBWSA-N -1 3 367.788 5.036 50 30 FKEAHM Cc1nc(-c2ccc(/N=C/c3cc(Br)ccc3[O-])cc2)cs1 ZINC000100841324 206224660 /nfs/dbraw/zinc/22/46/60/206224660.db2.gz ZLPVUYZRLUQBRN-DJKKODMXSA-N -1 3 373.275 5.337 50 30 FKEAHM CCCCCCCCCCCCO[N-]C(=O)Nc1ccccc1Cl ZINC000100844539 520011180 /nfs/dbraw/zinc/01/11/80/520011180.db2.gz CFCCVNLKCGYFDB-UHFFFAOYSA-N -1 3 354.922 6.314 50 30 FKEAHM [O-]/N=C(/c1cc2cc3ccccc3nc2s1)c1ccc(Cl)cc1Cl ZINC000100925340 222257616 /nfs/dbraw/zinc/25/76/16/222257616.db2.gz JDKKDJZXSLRXNE-OQKWZONESA-N -1 3 373.264 5.983 50 30 FKEAHM Cc1ccc(/N=C/c2ccc(-c3ccc(Br)cc3)o2)c([O-])c1 ZINC000101084470 570510424 /nfs/dbraw/zinc/51/04/24/570510424.db2.gz XCOPWPNHAXXDES-RGVLZGJSSA-N -1 3 356.219 5.474 50 30 FKEAHM CCCCCCCCCCCCCCCCCC(=O)c1ccc([O-])c(C)c1 ZINC000101357529 519991876 /nfs/dbraw/zinc/99/18/76/519991876.db2.gz UOVAQDKLAVJVFV-UHFFFAOYSA-N -1 3 374.609 8.145 50 30 FKEAHM CCCCCCCCCc1ccc(-c2nnc(-c3ccccc3[O-])o2)cc1 ZINC000101522761 222278510 /nfs/dbraw/zinc/27/85/10/222278510.db2.gz NRAFPOXZZFVICA-UHFFFAOYSA-N -1 3 364.489 6.402 50 30 FKEAHM CCN1c2ccccc2SC1=C1SC(=S)C(c2ccccc2)=C1[O-] ZINC000102131253 222289117 /nfs/dbraw/zinc/28/91/17/222289117.db2.gz RGDITFBWNHNVOR-DVEDPGPFSA-N -1 3 369.536 5.215 50 30 FKEAHM CCN1c2ccccc2SC1=C1SC(=S)C(c2ccccc2)=C1[O-] ZINC000102131259 570827206 /nfs/dbraw/zinc/82/72/06/570827206.db2.gz RGDITFBWNHNVOR-BQASMSSTSA-N -1 3 369.536 5.215 50 30 FKEAHM O=C(Nc1ccc(/N=C/c2ccccc2[O-])cc1)c1cc2ccccc2o1 ZINC000102417274 570515281 /nfs/dbraw/zinc/51/52/81/570515281.db2.gz BWOUCZFNNKZPCO-OEAKJJBVSA-N -1 3 356.381 5.141 50 30 FKEAHM Cc1cccc(-c2nc3ccc(/N=C/c4cc(Cl)ccc4[O-])cc3o2)c1 ZINC000102417520 209236416 /nfs/dbraw/zinc/23/64/16/209236416.db2.gz ZDBSXZYSSJQBDV-FSJBWODESA-N -1 3 362.816 5.913 50 30 FKEAHM Cc1ccccc1-c1nc2ccc(/N=C/c3cc(Cl)ccc3[O-])cc2o1 ZINC000102417524 209236239 /nfs/dbraw/zinc/23/62/39/209236239.db2.gz VYIYFEUFRAMXKT-FSJBWODESA-N -1 3 362.816 5.913 50 30 FKEAHM [O-]c1ccc2ccccc2c1/C=N/c1ccc2nc(-c3ccccc3)oc2c1 ZINC000102419312 222296328 /nfs/dbraw/zinc/29/63/28/222296328.db2.gz RYZGVLBQYNWOSF-MFKUBSTISA-N -1 3 364.404 6.104 50 30 FKEAHM Cc1cc(/N=C/c2c([O-])ccc3ccccc32)ccc1NC(=O)c1ccco1 ZINC000102422482 570515222 /nfs/dbraw/zinc/51/52/22/570515222.db2.gz HWWZHJGZSSHKPU-ZVHZXABRSA-N -1 3 370.408 5.450 50 30 FKEAHM COc1cc(Br)ccc1/N=C/c1c([O-])ccc2ccccc21 ZINC000102423441 222296377 /nfs/dbraw/zinc/29/63/77/222296377.db2.gz HNVZXCUNJOOXCH-RGVLZGJSSA-N -1 3 356.219 5.067 50 30 FKEAHM CCOc1ccc(/C=N/c2cccc3c(-c4ccccc4)ccnc23)c([O-])c1 ZINC000103748674 209255385 /nfs/dbraw/zinc/25/53/85/209255385.db2.gz VTJNGEDDRMBIIK-WGOQTCKBSA-N -1 3 368.436 5.757 50 30 FKEAHM [O-]c1ccc2ccccc2c1/C=N/c1ccc2nn(-c3ccccc3)nc2c1 ZINC000103751685 222342173 /nfs/dbraw/zinc/34/21/73/222342173.db2.gz FOZJAAFYSSGIFP-BUVRLJJBSA-N -1 3 364.408 5.030 50 30 FKEAHM CCOc1cc(/C=N/[O-])cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000103865528 520643587 /nfs/dbraw/zinc/64/35/87/520643587.db2.gz IPGILLIXXLKGPL-DNTJNYDQSA-N -1 3 374.651 5.433 50 30 FKEAHM CC(C)/N=C\c1c2c(ccc1[O-])oc(-c1ccccc1)c2-c1ccccc1 ZINC000105883185 222377760 /nfs/dbraw/zinc/37/77/60/222377760.db2.gz GDTRMGRXDXQGLS-MYYYXRDXSA-N -1 3 355.437 6.300 50 30 FKEAHM C=C(C)COc1ccc(-c2c3c[nH]nc3nc3c4ccc([O-])cc4oc32)cc1 ZINC000218294226 570610799 /nfs/dbraw/zinc/61/07/99/570610799.db2.gz DPGCSVCALMNSMC-UHFFFAOYSA-N -1 3 371.396 5.185 50 30 FKEAHM CC(C)OP(=O)(OC(C)C)C(CC12CC3CC(CC(C3)C1)C2)=N[O-] ZINC000252452795 571278785 /nfs/dbraw/zinc/27/87/85/571278785.db2.gz DKRUCQFJZKRFMV-UHFFFAOYSA-N -1 3 357.431 5.424 50 30 FKEAHM CCN(CC)c1ccc(C=Nc2ccc(Nc3ccccc3)cc2)c([O-])c1 ZINC000252460436 571278895 /nfs/dbraw/zinc/27/88/95/571278895.db2.gz FJUOBOJIJWDANZ-UHFFFAOYSA-N -1 3 359.473 5.733 50 30 FKEAHM [O-]c1ccc(Br)cc1C=Nc1ccc2c(c1)oc1ccccc12 ZINC000252461214 571278979 /nfs/dbraw/zinc/27/89/79/571278979.db2.gz LIRRZRRKNFMHCW-UHFFFAOYSA-N -1 3 366.214 5.805 50 30 FKEAHM [O-]c1ccc(Cl)cc1C=Nc1nc2ccccc2n1Cc1ccccc1 ZINC000252589392 571283820 /nfs/dbraw/zinc/28/38/20/571283820.db2.gz AKJFFNYMFWTAAB-UHFFFAOYSA-N -1 3 361.832 5.194 50 30 FKEAHM [O-]c1ccc(Cl)cc1C=Nc1c(-c2ccco2)nc2ccc(Cl)cn21 ZINC000252594148 571284343 /nfs/dbraw/zinc/28/43/43/571284343.db2.gz BPVATBNVJJEFBF-UHFFFAOYSA-N -1 3 372.211 5.357 50 30 FKEAHM [O-]c1ccc(N=Cc2ccc(OCc3cccc4ccccc43)cc2)cc1 ZINC000252596368 571284527 /nfs/dbraw/zinc/28/45/27/571284527.db2.gz CIRVTSUWOUJUPP-UHFFFAOYSA-N -1 3 353.421 5.875 50 30 FKEAHM Cc1ccc2oc(-c3ccc(N=Cc4cc(Cl)ccc4[O-])cc3)nc2c1 ZINC000252601781 571284573 /nfs/dbraw/zinc/28/45/73/571284573.db2.gz FDCUCLADZJWVMV-UHFFFAOYSA-N -1 3 362.816 5.913 50 30 FKEAHM [O-]c1ccc2ccccc2c1C=Nc1ccc2nn(-c3ccccc3)nc2c1 ZINC000252603237 571284700 /nfs/dbraw/zinc/28/47/00/571284700.db2.gz FOZJAAFYSSGIFP-UHFFFAOYSA-N -1 3 364.408 5.030 50 30 FKEAHM Cc1ccc(Cl)cc1-c1ccc(C=Nc2cc(C(C)(C)C)ccc2[O-])o1 ZINC000252603243 571284759 /nfs/dbraw/zinc/28/47/59/571284759.db2.gz FPEOATBWKHFMKV-UHFFFAOYSA-N -1 3 367.876 6.662 50 30 FKEAHM [O-]c1ccc2ccccc2c1C=Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000252608852 571285068 /nfs/dbraw/zinc/28/50/68/571285068.db2.gz HOCMMTZZDZSGGP-UHFFFAOYSA-N -1 3 363.420 5.839 50 30 FKEAHM COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1N=Cc1ccccc1[O-] ZINC000252610767 571285624 /nfs/dbraw/zinc/28/56/24/571285624.db2.gz IDJLJSZIRWEAOY-UHFFFAOYSA-N -1 3 361.485 5.619 50 30 FKEAHM [O-]c1ccc2ccccc2c1C=Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000252611068 571285708 /nfs/dbraw/zinc/28/57/08/571285708.db2.gz IGYCILOUXGUCMY-UHFFFAOYSA-N -1 3 363.420 5.839 50 30 FKEAHM Cc1cccc(C(=O)Nc2ccc(N=Cc3cc(Cl)ccc3[O-])cc2)c1 ZINC000252611541 571285712 /nfs/dbraw/zinc/28/57/12/571285712.db2.gz IKNNQLHYCCCTLU-UHFFFAOYSA-N -1 3 364.832 5.357 50 30 FKEAHM O=C(Nc1ccc(N=Cc2c([O-])cccc2Cl)cc1)c1ccc(F)cc1 ZINC000252612198 571285692 /nfs/dbraw/zinc/28/56/92/571285692.db2.gz IQBYLKLKAQQDAA-UHFFFAOYSA-N -1 3 368.795 5.188 50 30 FKEAHM Cc1cccc(-c2nc3cc(N=Cc4c(C)cc(O)cc4[O-])ccc3o2)c1 ZINC000252614192 571285856 /nfs/dbraw/zinc/28/58/56/571285856.db2.gz JGVMROWMYCMACQ-UHFFFAOYSA-N -1 3 358.397 5.273 50 30 FKEAHM Cc1ccc2nc(-c3cc(N=Cc4ccccc4[O-])ccc3Cl)oc2c1 ZINC000252620024 571287456 /nfs/dbraw/zinc/28/74/56/571287456.db2.gz LWBWOVLZVRAPKG-UHFFFAOYSA-N -1 3 362.816 5.913 50 30 FKEAHM O=[N+]([O-])c1ccc(-c2ccc(N=Cc3c([O-])ccc4ccccc43)cc2)cc1 ZINC000252621613 571288280 /nfs/dbraw/zinc/28/82/80/571288280.db2.gz NCUMXWVLFJUMEX-UHFFFAOYSA-N -1 3 368.392 5.871 50 30 FKEAHM CC(C)(C)c1ccc(C(C)(C)C)c(N=Cc2c([O-])ccc3ccccc32)c1 ZINC000252625985 571289023 /nfs/dbraw/zinc/28/90/23/571289023.db2.gz QTKBXMTVLSGLRS-UHFFFAOYSA-N -1 3 359.513 6.891 50 30 FKEAHM CCCCCCCCCCCCCCCc1noc2c1C(=N[O-])CCC2 ZINC000252627140 571289152 /nfs/dbraw/zinc/28/91/52/571289152.db2.gz RNLIKOTUPOSZCH-UHFFFAOYSA-N -1 3 362.558 6.823 50 30 FKEAHM [O-]c1cc2ccccc2cc1C=Nc1ccc2nn(-c3ccccc3)nc2c1 ZINC000252630001 571289524 /nfs/dbraw/zinc/28/95/24/571289524.db2.gz USEHMQMRKMJZHY-UHFFFAOYSA-N -1 3 364.408 5.030 50 30 FKEAHM [O-]c1ccc2ccccc2c1C=Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000252630896 571289872 /nfs/dbraw/zinc/28/98/72/571289872.db2.gz VFPGZBNACZSLPA-UHFFFAOYSA-N -1 3 364.404 6.104 50 30 FKEAHM CCOc1ccc(C=Nc2cccc3c(-c4ccccc4)ccnc23)c([O-])c1 ZINC000252632440 571290052 /nfs/dbraw/zinc/29/00/52/571290052.db2.gz VTJNGEDDRMBIIK-UHFFFAOYSA-N -1 3 368.436 5.757 50 30 FKEAHM C=CCc1cccc(C=Nc2nc3ccccc3n2Cc2ccccc2)c1[O-] ZINC000252632617 571290081 /nfs/dbraw/zinc/29/00/81/571290081.db2.gz VVFGLGSCNSUXFM-UHFFFAOYSA-N -1 3 367.452 5.269 50 30 FKEAHM [O-]c1ccc(N=C/C=C\c2ccccc2)cc1-c1nc2ccccc2s1 ZINC000252641594 571292095 /nfs/dbraw/zinc/29/20/95/571292095.db2.gz ZFGRYOLTBCGXQA-LQSQFJFCSA-N -1 3 356.450 6.085 50 30 FKEAHM [O-]c1ccc(N=C/C=C/c2ccccc2)cc1-c1nc2ccccc2s1 ZINC000252641779 571292099 /nfs/dbraw/zinc/29/20/99/571292099.db2.gz ZFGRYOLTBCGXQA-NNQNRFHUSA-N -1 3 356.450 6.085 50 30 FKEAHM [O-]c1ccccc1C=Nc1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000252641841 571292091 /nfs/dbraw/zinc/29/20/91/571292091.db2.gz ZGQPWHPMZNDBER-UHFFFAOYSA-N -1 3 361.832 5.194 50 30 FKEAHM Cc1cc([O-])c(N=Cc2ccc(-c3cccc(Br)c3)o2)cc1C ZINC000252642364 571292128 /nfs/dbraw/zinc/29/21/28/571292128.db2.gz ZLJGMHCSQIWBTL-UHFFFAOYSA-N -1 3 370.246 5.782 50 30 FKEAHM [O-]c1ccc(Cl)cc1C=Nc1cccc2c(-c3ccccc3)ccnc12 ZINC000254498090 526347168 /nfs/dbraw/zinc/34/71/68/526347168.db2.gz KPLLIUPNPRJSKQ-UHFFFAOYSA-N -1 3 358.828 6.011 50 30 FKEAHM [O-]c1ccc(Br)cc1C=Nc1ccc(Cl)c2cccnc12 ZINC000254824605 571318081 /nfs/dbraw/zinc/31/80/81/571318081.db2.gz HFPZHIOMOQVMTB-UHFFFAOYSA-N -1 3 361.626 5.107 50 30 FKEAHM CCCCCCCCCCCCCCCCOc1ccc(C=N[O-])cc1 ZINC000254876325 520002304 /nfs/dbraw/zinc/00/23/04/520002304.db2.gz VNFNTKWCBUWOGT-UHFFFAOYSA-N -1 3 361.570 7.355 50 30 FKEAHM