0 B13R2.449 CCNc1ccc2c(c1)CCO2 e89f269b008d059d5d75e9817de0f5e6 [0,1,0,0,0,0|2,0,1]=4 1 B13R2.449 CCNc1ccc2c(c1)OCC2 e485b6f53c8fa35c53665bd529eb5bb8 [0,1,0,0,0,0|2,0,1]=4 2 B13R2.449 CCOc1ccc2c(c1)CCO2 c06b4d2ad092c55b94c0a9d30e314da5 [0,1,0,0,0,0|2,0,1]=4 3 B13R2.449 CCOc1ccc2c(c1)OCC2 e3c3f04f1a53e0497e593e6e112acfdf [0,1,0,0,0,0|2,0,1]=4 4 B13R2.449 FCNc1ccc2c(c1)CCO2 3271a6fb14c3129b32d1c678de125313 [0,1,0,0,0,0|2,0,1]=4 5 B13R2.449 FCNc1ccc2c(c1)OCC2 a0c1c2646e8d61eb8819f80661c2f641 [0,1,0,0,0,0|2,0,1]=4 6 B13R2.449 FCOc1ccc2c(c1)CCO2 58a21b4fad7c05b4af4bff0f8b7a5794 [0,1,0,0,0,0|2,0,1]=4 7 B13R2.449 FCOc1ccc2c(c1)OCC2 9ef7cec2c299612b1026904918057cce [0,1,0,0,0,0|2,0,1]=4 8 B13R2.449 O=CNc1ccc2c(c1)CCC2 01f39accb4aff1e88b304c693e7b8291 [0,1,0,0,0,0|2,0,0]=3 9 B13R2.449 O=CNc1ccc2c(c1)CCO2 c6fbe65fd4c227b863da2f0a89299506 [0,1,0,0,0,0|1,0,0]=2 10 B13R2.449 O=CNc1ccc2c(c1)COC2 eeac5f23f8c085ca1796c111a294bc60 [0,1,0,0,0,0|3,0,0]=4 11 B13R2.449 O=CNc1ccc2c(c1)OCC2 5ded0f6fd7ef1323575e0aa3646a58d4 [0,1,0,0,0,0|1,0,0]=2 12 B13R2.449 O=CNc1ccc2c(n1)CCC2 9bb2efb4ac8c4fc8a478f544b882d288 [0,1,0,0,0,0|3,0,0]=4 13 B13R2.449 O=CNc1ccc2c(n1)CCO2 69185a539919f9cf1981577e5c04c175 [0,1,0,0,0,0|2,0,0]=3 14 B13R2.449 O=CNc1ccc2c(n1)OCC2 3d4231ad89b831814f445a1778c41dd8 [0,1,0,0,0,0|2,0,0]=3 15 B13R2.449 O=CNc1ccc2ccoc2c1 75c216f01f9cc81c3066925783a67334 [0,1,0,0,0,0|1,0,1]=3 16 B13R2.449 O=CNc1ccc2ccsc2c1 52b48f3c3bd247d916b4e68bca201e8b [0,1,0,0,0,0|1,1,1]=4 17 B13R2.449 O=CNc1ccc2cnoc2c1 7271d5c32b2cf59e44f0653a5077ba87 [0,1,0,0,0,0|2,0,0]=3 18 B13R2.449 O=CNc1ccc2cnsc2c1 9da8b855ec20f60c0828e918df848e3c [0,1,0,0,0,0|2,1,0]=4 19 B13R2.449 O=CNc1ccc2csnc2c1 8ec89fd766c2d4849f64b987209cbe38 [0,1,0,0,0,0|3,0,0]=4 20 B13R2.449 O=CNc1ccc2ncoc2c1 f521cfb85caac5ee55f644a3e12fadef [0,1,0,0,0,0|1,0,1]=3 21 B13R2.449 O=CNc1ccc2ncsc2c1 d7cbebbf4f62355fcb77815b55f1fb22 [0,1,0,0,0,0|1,1,1]=4 22 B13R2.449 O=CNc1ccc2nnsc2c1 f0425f10df5d349392afb2c3451fb013 [0,1,0,0,0,0|2,1,0]=4 23 B13R2.449 O=CNc1ccc2nonc2c1 1074aee942ce59e04a9ef2aa3a3b9048 [0,1,0,0,0,0|3,0,0]=4 24 B13R2.449 O=CNc1ccc2nsnc2c1 d59e261bf82a6eb90e7e5e138a300195 [0,1,0,0,0,0|3,0,0]=4 25 B13R2.449 O=CNc1ccc2occc2c1 e4796008826b21798091398b34f36a75 [0,1,0,0,0,0|1,0,1]=3 26 B13R2.449 O=CNc1ccc2ocnc2c1 ddacb6b9c1a0a9d90ed711c88644f9d4 [0,1,0,0,0,0|1,0,1]=3 27 B13R2.449 O=CNc1ccc2oncc2c1 fc9dab8a1d280da32e2708bfe3b32f4b [0,1,0,0,0,0|2,0,0]=3 28 B13R2.449 O=CNc1ccc2sccc2c1 6e1ceb7741c1c17167a68706d3b99317 [0,1,0,0,0,0|1,1,1]=4 29 B13R2.449 O=CNc1ccc2scnc2c1 86f38a0eaed26fc89bc1c7896a576594 [0,1,0,0,0,0|1,1,1]=4 30 B13R2.449 O=CNc1ccc2sncc2c1 29ca8a5c74610245176608b0d3f74f36 [0,1,0,0,0,0|2,1,0]=4 31 B13R2.449 O=CNc1ccc2snnc2c1 25cb693afa8dc980dce04fc8024c9e99 [0,1,0,0,0,0|2,1,0]=4 32 B13R2.449 O=CNc1cnc2c(c1)CCC2 609349d167d71600fce2ac57f3b8ea04 [0,1,0,0,0,0|3,0,0]=4 33 B13R2.449 O=CNc1cnc2c(c1)CCO2 03583afe124dc6e8ffafd57fe9a586b3 [0,1,0,0,0,0|2,0,0]=3 34 B13R2.449 OCNc1ccc2c(c1)CCO2 0137edd594548c22bb9f412b79801399 [0,1,0,0,0,0|1,0,2]=4 35 B13R2.449 OCNc1ccc2c(c1)OCC2 9a45ac2ffcc0f0771e3a0458e1c3572b [0,1,0,0,0,0|1,0,2]=4 36 B11R1.83 C#Cc1ccc(cc1)NCO 3d10c20a6b1713d8b2b199c513c3821e [0,0,1,0,0,0|2,0,1]=4 37 B11R1.83 C#Cc1ccc(cc1)OCC 7605fc1756b7b37617def1215e5772aa [0,0,1,0,0,0|2,0,1]=4 38 B11R1.83 C#Cc1ccc(cc1)OCF aee315f803dafc5530067ae9183b1e0d [0,0,1,0,0,0|2,0,1]=4 39 B11R1.83 C=Cc1ccc(cc1)NCC 817ec74810f825a0e36709628dff4396 [0,0,1,0,0,0|3,0,0]=4 40 B11R1.83 C=Cc1ccc(cc1)NCF 0a4b6dd3c2bcc6ff056575d646b45479 [0,0,1,0,0,0|3,0,0]=4 41 B11R1.83 C=Cc1ccc(cc1)NCO 38b24d34161eea2db824a391ffef5464 [0,0,1,0,0,0|2,0,0]=3 42 B11R1.83 C=Cc1ccc(cc1)OCC 2dfc252e05f2c69f9afd57ad07934f94 [0,0,1,0,0,0|2,0,0]=3 43 B11R1.83 C=Cc1ccc(cc1)OCF 1caa6521b77ee34492a62573e025620c [0,0,1,0,0,0|2,0,0]=3 44 B11R1.83 C=Cc1ccc(nc1)NCO 50082f71b9e60774e6a4f0659d3b1b3b [0,0,1,0,0,0|3,0,0]=4 45 B11R1.83 CCNc1ccc(cc1)C=O 5b1da36ecdd403f54386923bf3cd85f6 [0,0,1,0,0,0|2,0,0]=3 46 B11R1.83 CCNc1ccc(cn1)C=O dd4312795d8088c2d75d58fa4a7fbc09 [0,0,1,0,0,0|3,0,0]=4 47 B11R1.83 CCNc1ccc(nc1)C=O e9ae26db13ed7f812a2c4aa039ca3f6c [0,0,1,0,0,0|3,0,0]=4 48 B11R1.83 CCOc1ccc(cc1)C#N 9b013ab74d3621a0af682769151817d3 [0,0,1,0,0,0|2,0,1]=4 49 B11R1.83 CCOc1ccc(cc1)C=O a91e11e6046c836fde6a9c8c50bcee5f [0,0,1,0,0,0|1,0,0]=2 50 B11R1.83 CCOc1ccc(cc1)CC 130be86bb5623a5d2837998dae082a29 [0,0,1,0,0,0|2,0,1]=4 51 B11R1.83 CCOc1ccc(cc1)N=O 225b842c68d4b1757d171cfe2fef0d02 [0,0,1,0,0,0|2,0,0]=3 52 B11R1.83 CCOc1ccc(cc1)OC 78aacf22e7f5ffe52b6720f42ae387fa [0,0,1,0,0,0|3,0,0]=4 53 B11R1.83 CCOc1ccc(cc1)SC 5d7f5467819db3ffd93e8fef63951787 [0,0,1,0,0,0|3,0,0]=4 54 B11R1.83 CCOc1ccc(cn1)C=O 3b8b64fa974f689fe9a33594fdaa0596 [0,0,1,0,0,0|2,0,0]=3 55 B11R1.83 CCOc1ccc(nc1)C=O 202597c6655fff3a69ca3db66d69956a [0,0,1,0,0,0|2,0,0]=3 56 B11R1.83 CCOc1ccc(nn1)C=O 4e29dcecb02e5059f2afcc4239a5eefc [0,0,1,0,0,0|3,0,0]=4 57 B11R1.83 CCOc1ncc(cn1)C=O 41202a4922bca945b17b16afac38237d [0,0,1,0,0,0|3,0,0]=4 58 B11R1.83 CCc1ccc(cc1)NCO 2632ca5f43af05f14260cfd180617e8c [0,0,1,0,0,0|2,0,1]=4 59 B11R1.83 CCc1ccc(cc1)OCF 7fda0752555f0e54fed3e99d547f54fb [0,0,1,0,0,0|2,0,1]=4 60 B11R1.83 COc1ccc(cc1)NCO d05625bdde7ec9fe93b3548602d63490 [0,0,1,0,0,0|3,0,0]=4 61 B11R1.83 COc1ccc(cc1)OCF c57197c0057f1929b85da0b4d46da439 [0,0,1,0,0,0|3,0,0]=4 62 B11R1.83 CSc1ccc(cc1)NCO 61331800f1d8bc8bf7eb6fb9ed195143 [0,0,1,0,0,0|3,0,0]=4 63 B11R1.83 CSc1ccc(cc1)OCF e48244d1e7ba47db5989fabc9a3a04ba [0,0,1,0,0,0|3,0,0]=4 64 B11R1.83 N#Cc1ccc(cc1)NCO 8aa8cbbcf93221243fa8bcf461b6f0af [0,0,1,0,0,0|2,0,1]=4 65 B11R1.83 N#Cc1ccc(cc1)OCF bcd0ae2cb5810bd40e4bba884acde04f [0,0,1,0,0,0|2,0,1]=4 66 B11R1.83 O=Cc1ccc(cc1)NCF 6e9507808f661692c4995ce01d7149d7 [0,0,1,0,0,0|2,0,0]=3 67 B11R1.83 O=Cc1ccc(cc1)NCO 5d1b19988396e75b9401946c178d10c0 [0,0,1,0,0,0|1,0,0]=2 68 B11R1.83 O=Cc1ccc(cc1)OCF 1650bb97f47d4d35a5c8149a03d0d3f8 [0,0,1,0,0,0|1,0,0]=2 69 B11R1.83 O=Cc1ccc(cn1)NCF 72bc126bbd4bfcffb3b226662f3e38c0 [0,0,1,0,0,0|3,0,0]=4 70 B11R1.83 O=Cc1ccc(cn1)NCO 788d6f4633f44c97a001f4d759d59a7c [0,0,1,0,0,0|2,0,0]=3 71 B11R1.83 O=Cc1ccc(cn1)OCF c94a6b209178c693c56e3e32144380b4 [0,0,1,0,0,0|2,0,0]=3 72 B11R1.83 O=Cc1ccc(nc1)NCF f1bfde05b648245a2d8978d1a14a3f7a [0,0,1,0,0,0|3,0,0]=4 73 B11R1.83 O=Cc1ccc(nc1)NCO 7224f6f28fcf8d6ba77bb1da54e1ed73 [0,0,1,0,0,0|2,0,0]=3 74 B11R1.83 O=Cc1ccc(nc1)OCF 10cafffee4c0f03191e10584fbcd9110 [0,0,1,0,0,0|2,0,0]=3 75 B11R1.83 O=Cc1ccc(nn1)OCF 8023d036d6e772af3543aa1f2257f039 [0,0,1,0,0,0|3,0,0]=4 76 B11R1.83 O=Cc1cnc(cn1)NCO d72de2d95bed596c8d79bca0b7ee81b4 [0,0,1,0,0,0|3,0,0]=4 77 B11R1.83 O=Cc1cnc(nc1)NCO 6381accd90e3d7b791aa5bff80895294 [0,0,1,0,0,0|3,0,0]=4 78 B11R1.83 O=Cc1cnc(nc1)OCF cea295a9d67048c5cfc9951328f365b5 [0,0,1,0,0,0|3,0,0]=4 79 B11R1.83 O=Nc1ccc(cc1)OCF 4703797660d3f0cf5ebd83d127a70814 [0,0,1,0,0,0|2,0,0]=3 80 B11R1.83 OCNc1ccc(cc1)CO 06500d7c83368639569a416a5b107792 [0,0,1,0,0,0|1,0,2]=4 81 B11R1.189 C#Cc1cccc(c1)NCO 49c3e402a274720e42d53957f4bc868a [0,0,1,0,0,0|2,0,1]=4 82 B11R1.189 C#Cc1cccc(c1)OCC 9353341a71b76ccaeba39912ad4fe502 [0,0,1,0,0,0|2,0,1]=4 83 B11R1.189 C#Cc1cccc(c1)OCF 12629024bccb6d2a2043433dd8e31dd6 [0,0,1,0,0,0|2,0,1]=4 84 B11R1.189 C=Cc1cc(ccn1)NCO 6469d4ec9261c9700421335863ccf7ae [0,0,1,0,0,0|3,0,0]=4 85 B11R1.189 C=Cc1cccc(c1)NCC 9f4512008c7efb1c7253c34fdfc2f2e7 [0,0,1,0,0,0|3,0,0]=4 86 B11R1.189 C=Cc1cccc(c1)NCF b49f0dbefa702b5ddcc1cf0bdf953985 [0,0,1,0,0,0|3,0,0]=4 87 B11R1.189 C=Cc1cccc(c1)NCO d2e136f529616cf68036f77e7debbd47 [0,0,1,0,0,0|2,0,0]=3 88 B11R1.189 C=Cc1cccc(c1)OCC 0c905d2d0400afe17575003294fbe863 [0,0,1,0,0,0|2,0,0]=3 89 B11R1.189 C=Cc1cccc(c1)OCF 2a3bb4737057fee92fd9ac16bcf13c47 [0,0,1,0,0,0|2,0,0]=3 90 B11R1.189 CCNc1cccc(n1)C=O f39f304380d6567abfc0e2be8f7c3942 [0,0,1,0,0,0|3,0,0]=4 91 B11R1.189 CCOc1cc(ccn1)C=O 7da8db837d81486d5a54259cb23dddd7 [0,0,1,0,0,0|2,0,0]=3 92 B11R1.189 CCOc1cc(ncn1)C=O e05e460188352b21438d7c71123391c7 [0,0,1,0,0,0|3,0,0]=4 93 B11R1.189 CCOc1cccc(c1)C#N 7ef82c2d02e84883b91e8bc02a3bdd10 [0,0,1,0,0,0|2,0,1]=4 94 B11R1.189 CCOc1cccc(c1)C=O dc5abb90be9ad07b6da20b75593f9b87 [0,0,1,0,0,0|1,0,0]=2 95 B11R1.189 CCOc1cccc(c1)CC 22926f3af32751a3971fc11ade23471c [0,0,1,0,0,0|2,0,1]=4 96 B11R1.189 CCOc1cccc(c1)OC 58280a708e8a92b6daea49e4e49dce50 [0,0,1,0,0,0|3,0,0]=4 97 B11R1.189 CCOc1cccc(c1)SC 6db1e97dac1c125e91e43d17a7d89f15 [0,0,1,0,0,0|3,0,0]=4 98 B11R1.189 CCOc1cncc(c1)C=O 43d2ea3b0f4792e697ae0e0a8beba353 [0,0,1,0,0,0|2,0,0]=3 99 B11R1.189 CCc1cccc(c1)NCO 02cad0dc79fdcd36fae84d057ff27df9 [0,0,1,0,0,0|2,0,1]=4 100 B11R1.189 CCc1cccc(c1)OCF 02024f7b3f4dbd26aa661fc17aac356d [0,0,1,0,0,0|2,0,1]=4 101 B11R1.189 COc1cccc(c1)NCO c1f0fd49d1bd8ecf80c434597b326f9a [0,0,1,0,0,0|3,0,0]=4 102 B11R1.189 COc1cccc(c1)OCF 215a8d1b0349806892d213366e6f4ebc [0,0,1,0,0,0|3,0,0]=4 103 B11R1.189 CSc1cccc(c1)NCO ca04ab634de1d8deab13484f48bf68a5 [0,0,1,0,0,0|3,0,0]=4 104 B11R1.189 CSc1cccc(c1)OCF ab89d49c43ceb1e2ff44f89cdac15c7d [0,0,1,0,0,0|3,0,0]=4 105 B11R1.189 N#CNc1cccc(c1)C=O 9ff492c5abbf238f9bbb533bdab14ca7 [0,0,1,0,0,0|2,0,1]=4 106 B11R1.189 N#Cc1cccc(c1)NCO 40e868261bbbc562c4ce7053e01f4ceb [0,0,1,0,0,0|2,0,1]=4 107 B11R1.189 N#Cc1cccc(c1)OCF a20c5dce363cf547336184b7489da77f [0,0,1,0,0,0|2,0,1]=4 108 B11R1.189 O=Cc1cc(ncn1)OCF 362fd5497dcdb69bfaddaa869ce900ef [0,0,1,0,0,0|3,0,0]=4 109 B11R1.189 O=Cc1cccc(c1)OCF 1ceb7478e534724550c02919a697817d [0,0,1,0,0,0|1,0,0]=2 110 B11R1.189 O=Cc1cccc(n1)NCF 31ae8634b2b291572462708d08960ff1 [0,0,1,0,0,0|3,0,0]=4 111 B11R1.189 O=Cc1cccc(n1)NCO dc10c0a04215832c0c67b8945803d5e8 [0,0,1,0,0,0|2,0,0]=3 112 B11R1.189 O=Cc1ccnc(c1)OCF b2cd9c36840da1e1b813364f103b3004 [0,0,1,0,0,0|2,0,0]=3 113 B11R1.189 O=Cc1cncc(c1)OCF 2f83e8403dad183551c52d33c0f437b7 [0,0,1,0,0,0|2,0,0]=3 114 B11R1.189 OCNc1cccc(c1)CBr 65f31daf5a3ba21a49bcd540e1bdc5ca [0,0,1,0,0,0|2,0,1]=4 115 B11R1.189 OCNc1cccc(c1)CF 2c0585d89612f555a6fed5d1564edd83 [0,0,1,0,0,0|2,0,1]=4 116 B11R1.189 OCNc1cccc(c1)CO fa8058082ca34f65f404d28ef190253e [0,0,1,0,0,0|1,0,2]=4 117 B10R1.1 CCOc1ccc(cc1)Br 0e76a95a836dd2981a43d0b194227fd8 [1,0,1,0,0,0|2,0,0]=4 118 B10R1.1 CCOc1ccc(cc1)C 26efd14f9e8649940b64cdf1b3738f1b [1,0,1,0,0,0|1,0,1]=4 119 B10R1.1 CCOc1ccc(cc1)Cl 945eb2c259d4cb8905c1789c25d510a9 [1,0,1,0,0,0|2,0,0]=4 120 B10R1.1 CCOc1ccc(cc1)F 5faab7d15ff0cf2f779560e4d5e7448c [1,0,1,0,0,0|2,0,0]=4 121 B10R1.1 CCOc1ccc(cc1)I 53aa34317b2540d22d9ec7de628cac3d [1,0,1,0,0,0|2,0,0]=4 122 B10R1.1 CCOc1ccc(cc1)S 99269a211e814d9abbdc09864e525389 [1,0,1,0,0,0|1,1,0]=4 123 B10R1.1 Cc1ccc(cc1)NCO 626a801ae48c57fa3fcbb53e76d595f1 [1,0,1,0,0,0|1,0,1]=4 124 B10R1.1 Cc1ccc(cc1)OCF 1ff33ac4ceb2cbf44a59770aa34ca71f [1,0,1,0,0,0|1,0,1]=4 125 B10R1.1 FCOc1ccc(cc1)Br bc13401ff1b5b76f437683a94bdf2ed8 [1,0,1,0,0,0|2,0,0]=4 126 B10R1.1 FCOc1ccc(cc1)Cl 4e8cdf8131543ffc8a8f19ac10dd354e [1,0,1,0,0,0|2,0,0]=4 127 B10R1.1 FCOc1ccc(cc1)F d9961c874524e60966f13168de74d68e [1,0,1,0,0,0|2,0,0]=4 128 B10R1.1 FCOc1ccc(cc1)I 31e9a7d342257542e659914127a8d1e9 [1,0,1,0,0,0|2,0,0]=4 129 B10R1.1 FCOc1ccc(cc1)S 3c6768610977ef2105a56aef384b857c [1,0,1,0,0,0|1,1,0]=4 130 B10R1.1 O=c1ccc(c[nH]1)NCO 6c49f3fcbfcda41856e9a3ef89f0e0b2 [1,0,1,0,0,0|2,0,0]=4 131 B10R1.1 OCNc1ccc(cc1)Br 8a6f77c6bbe9ea4e056c3d8d66d7853d [1,0,1,0,0,0|2,0,0]=4 132 B10R1.1 OCNc1ccc(cc1)Cl 86437eba67664b7a79a0b9f1be727594 [1,0,1,0,0,0|2,0,0]=4 133 B10R1.1 OCNc1ccc(cc1)F 713130e1345d066522caa5c40a69b374 [1,0,1,0,0,0|2,0,0]=4 134 B10R1.1 OCNc1ccc(cc1)I b3ec7df4f137e654c56c2616ca2d7a8a [1,0,1,0,0,0|2,0,0]=4 135 B10R1.1 OCNc1ccc(cc1)S a2d81e6a6f1ccdc29f69d5fbee093f77 [1,0,1,0,0,0|1,1,0]=4 136 B10R1.10 CCOc1cccc(=O)[nH]1 c94839f401af37d9f4dfdf393db93386 [1,0,1,0,0,0|2,0,0]=4 137 B10R1.10 CCOc1cccc(c1)Br 59b0f5cf1b6eeed19f09ca4b10ff10f6 [1,0,1,0,0,0|2,0,0]=4 138 B10R1.10 CCOc1cccc(c1)C c484b8098bb494764323b4d807c3d871 [1,0,1,0,0,0|1,0,1]=4 139 B10R1.10 CCOc1cccc(c1)Cl 0302a2b3778df08595f07cb1f730b10b [1,0,1,0,0,0|2,0,0]=4 140 B10R1.10 CCOc1cccc(c1)F e3c752114bd9c3d3cb33513b156f9036 [1,0,1,0,0,0|2,0,0]=4 141 B10R1.10 CCOc1cccc(c1)I 0d8a8a4223f2d3d3697a5720204df0bd [1,0,1,0,0,0|2,0,0]=4 142 B10R1.10 CCOc1cccc(c1)S 0a6998f5983825c4343bcc0ed4a9090c [1,0,1,0,0,0|1,1,0]=4 143 B10R1.10 Cc1cccc(c1)NCO eb61e002278030a37368dc2bd095ceec [1,0,1,0,0,0|1,0,1]=4 144 B10R1.10 Cc1cccc(c1)OCF 44a22e926d5d6090dde9bff2fda50b6b [1,0,1,0,0,0|1,0,1]=4 145 B10R1.10 FCOc1cccc(c1)Br 80d2510913f89b70a700b0a85c7b5f8c [1,0,1,0,0,0|2,0,0]=4 146 B10R1.10 FCOc1cccc(c1)Cl 923cd2deba2a91f957f577166c83db17 [1,0,1,0,0,0|2,0,0]=4 147 B10R1.10 FCOc1cccc(c1)F 32af0f234c8dc4ce890ff812ba75b297 [1,0,1,0,0,0|2,0,0]=4 148 B10R1.10 FCOc1cccc(c1)I 162f72df4c690124de0a310faac4bb60 [1,0,1,0,0,0|2,0,0]=4 149 B10R1.10 FCOc1cccc(c1)S 89704a073d3d1c53c665a8dc23513f21 [1,0,1,0,0,0|1,1,0]=4 150 B10R1.10 O=c1cccc([nH]1)OCF 9ad20a11a2b6b5a3072c41c91067cdab [1,0,1,0,0,0|2,0,0]=4 151 B10R1.10 OCNc1cccc(c1)Br 87332989ccf0a06305ed11c761d0693f [1,0,1,0,0,0|2,0,0]=4 152 B10R1.10 OCNc1cccc(c1)Cl 68445f3d0584c980a0fba61df5ca8efe [1,0,1,0,0,0|2,0,0]=4 153 B10R1.10 OCNc1cccc(c1)F 24a19ac850850294d97609fe4487e656 [1,0,1,0,0,0|2,0,0]=4 154 B10R1.10 OCNc1cccc(c1)I ac2d74171e11e079d9ebd4692866b125 [1,0,1,0,0,0|2,0,0]=4 155 B10R1.10 OCNc1cccc(c1)S 0a81563d3a78719492df94f2bfff9ef9 [1,0,1,0,0,0|1,1,0]=4 156 B12R1.4 C=Cc1ccc(cc1)OC(C)C c83cc47632832c79bb2fdd3080632eb6 [0,1,1,0,0,0|2,0,0]=4 157 B12R1.4 CC(C)Nc1ccc(cc1)C=O 62ba5962698d35c68b71a115e0b568ab [0,1,1,0,0,0|2,0,0]=4 158 B12R1.4 CC(C)Oc1ccc(cc1)C=O 2397d983c0762938a0582225e128d3b0 [0,1,1,0,0,0|1,0,0]=3 159 B12R1.4 CC(C)Oc1ccc(cc1)N=O e461c6ac1751e2be8c322e20efd1c111 [0,1,1,0,0,0|2,0,0]=4 160 B12R1.4 CC(C)Oc1ccc(cn1)C=O bd1ce5340c4711a9faef60a6c5e0d92e [0,1,1,0,0,0|2,0,0]=4 161 B12R1.4 CC(C)Oc1ccc(nc1)C=O 6bb7bf8fb082dfb640d3f4945d00337a [0,1,1,0,0,0|2,0,0]=4 162 B12R1.5 CCN(C)c1ccc(cc1)C=O a0fd570706483771aa49a936d2f3cb21 [0,1,1,0,0,0|2,0,0]=4 163 B12R1.5 CN(CF)c1ccc(cc1)C=O b74eccc5ac71532d2a3bf436d8ddc0bd [0,1,1,0,0,0|2,0,0]=4 164 B12R1.5 CN(CO)c1ccc(cc1)C=O e1f9efc4553028d81b9cd5065fa5b275 [0,1,1,0,0,0|1,0,0]=3 165 B12R1.5 CN(CO)c1ccc(cn1)C=O bdbcac187f7976eb85eecdb3e8937dd0 [0,1,1,0,0,0|2,0,0]=4 166 B12R1.71 C#CCNc1ccc(cc1)C=O 98c11ef7bba30ad37e93f9ae32b4b057 [0,1,1,0,0,0|2,0,0]=4 167 B12R1.71 C#CCOc1ccc(cc1)C=C 5576e9e840b65ec4a9448432c316c302 [0,1,1,0,0,0|2,0,0]=4 168 B12R1.71 C#CCOc1ccc(cc1)C=O fd6946fb40fbb714839ec91fe773d1ce [0,1,1,0,0,0|1,0,0]=3 169 B12R1.71 C#CCOc1ccc(cc1)N=O 33ce19d89a8774566296d646e8d1cada [0,1,1,0,0,0|2,0,0]=4 170 B12R1.71 C#CCOc1ccc(cn1)C=O ea4ac18d9de1e5dd8b626a2fa48a5021 [0,1,1,0,0,0|2,0,0]=4 171 B12R1.71 C#CCOc1ccc(nc1)C=O dfea476f21211e76717848c77f8862f7 [0,1,1,0,0,0|2,0,0]=4 172 B12R1.71 C#Cc1ccc(cc1)OCOC 6ac80003833690c064283fc202bca712 [0,1,1,0,0,0|1,0,1]=4 173 B12R1.71 C=CCNc1ccc(cc1)C=O 0f89165b7604c9ca1657e9037a23991f [0,1,1,0,0,0|2,0,0]=4 174 B12R1.71 C=CCOc1ccc(cc1)C=C a2f4c61a48df4954b72a2fe314f24f49 [0,1,1,0,0,0|2,0,0]=4 175 B12R1.71 C=CCOc1ccc(cc1)C=O 90da22876fdaa62cdbaf8c82428b5a45 [0,1,1,0,0,0|1,0,0]=3 176 B12R1.71 C=CCOc1ccc(cc1)N=O 35b0847ffab20c950fd0b88adc48b21b [0,1,1,0,0,0|2,0,0]=4 177 B12R1.71 C=CCOc1ccc(cn1)C=O 678cad21f93d7a20172d21dbfb844a2e [0,1,1,0,0,0|2,0,0]=4 178 B12R1.71 C=CCOc1ccc(nc1)C=O 43f5285c1552e42825d6ebcede36143d [0,1,1,0,0,0|2,0,0]=4 179 B12R1.71 C=Cc1ccc(cc1)CNCO 326767c21a5bb3b7de832c31b7eb1a60 [0,1,1,0,0,0|2,0,0]=4 180 B12R1.71 C=Cc1ccc(cc1)COCC 753e5692cf814e398fcce6513d26c7c7 [0,1,1,0,0,0|2,0,0]=4 181 B12R1.71 C=Cc1ccc(cc1)COCF 9b202ff7fbff44fe3c09533e95783efe [0,1,1,0,0,0|2,0,0]=4 182 B12R1.71 C=Cc1ccc(cc1)NCCO ca4c13f45ac429eaa817deeb315ffa6b [0,1,1,0,0,0|2,0,0]=4 183 B12R1.71 C=Cc1ccc(cc1)NCOC 97cdddad96634b53cdafcb6e0644b48d [0,1,1,0,0,0|2,0,0]=4 184 B12R1.71 C=Cc1ccc(cc1)OCC#N 2db0f02468a63b7ad7844f0a20575b76 [0,1,1,0,0,0|2,0,0]=4 185 B12R1.71 C=Cc1ccc(cc1)OCC=O 8426c42b1d5231bf6236be4f728b5910 [0,1,1,0,0,0|1,0,1]=4 186 B12R1.71 C=Cc1ccc(cc1)OCCC 9289590995132c233aa3a872f79777ec [0,1,1,0,0,0|2,0,0]=4 187 B12R1.71 C=Cc1ccc(cc1)OCCF e66d9ae27466b417384c4aff817bd5ea [0,1,1,0,0,0|2,0,0]=4 188 B12R1.71 C=Cc1ccc(cc1)OCCS 952a32d0a5ef3d4321d5171b40617b2f [0,1,1,0,0,0|1,1,0]=4 189 B12R1.71 C=Cc1ccc(cc1)OCOC ac690c43d845204f0339230a58bbab80 [0,1,1,0,0,0|1,0,0]=3 190 B12R1.71 C=Cc1ccc(cc1)OCSC ec6c542e460d54358d81ca15a8632d0b [0,1,1,0,0,0|1,1,0]=4 191 B12R1.71 CCCNc1ccc(cc1)C=O 9dbf29157f416c2cfd25aa5f07560af2 [0,1,1,0,0,0|2,0,0]=4 192 B12R1.71 CCCOc1ccc(cc1)C=O 4e37ed969b2e2dc144113d7cf8381fcd [0,1,1,0,0,0|1,0,0]=3 193 B12R1.71 CCCOc1ccc(cc1)N=O e5113a838ca97c8bc7158f76255bd3fe [0,1,1,0,0,0|2,0,0]=4 194 B12R1.71 CCCOc1ccc(cn1)C=O 4bd15a674df01e5246ae9320c2634007 [0,1,1,0,0,0|2,0,0]=4 195 B12R1.71 CCCOc1ccc(nc1)C=O d569e05d488e5bd29df7cf08d4f9dce6 [0,1,1,0,0,0|2,0,0]=4 196 B12R1.71 CCOCc1ccc(cc1)C=O 63f61c534301d2fb19296914e9ec3a98 [0,1,1,0,0,0|1,0,0]=3 197 B12R1.71 CCOCc1ccc(nc1)C=O 8493eb511aeeed5f9d02988f45d5b569 [0,1,1,0,0,0|2,0,0]=4 198 B12R1.71 COCNc1ccc(cc1)C=O f7ab2f429f29a899fd97c425aa102629 [0,1,1,0,0,0|1,0,0]=3 199 B12R1.71 COCNc1ccc(cn1)C=O 35aa94459e6a81ad86a4eac62f959fc0 [0,1,1,0,0,0|2,0,0]=4 200 B12R1.71 COCNc1ccc(nc1)C=O 8dc5d0abec0d4f4ac1755ab931315e4f [0,1,1,0,0,0|2,0,0]=4 201 B12R1.71 COCOc1ccc(cc1)C#N 753b0a267902f42d2517abe4e40b8f43 [0,1,1,0,0,0|1,0,1]=4 202 B12R1.71 COCOc1ccc(cc1)C=O c6331fde3edc7b39ecba2c825a6ab487 [0,1,1,0,0,0|0,0,0]=2 203 B12R1.71 COCOc1ccc(cc1)N=O 6efbc9c18cc7576f4ef181c98474af2a [0,1,1,0,0,0|1,0,0]=3 204 B12R1.71 COCOc1ccc(cc1)OC 2dd59a1a703d28b02af40dd932f195cf [0,1,1,0,0,0|2,0,0]=4 205 B12R1.71 COCOc1ccc(cc1)SC dd10472e8dd3da73df07a634244d412a [0,1,1,0,0,0|2,0,0]=4 206 B12R1.71 COCOc1ccc(cn1)C=O 8550233a44ec200389c3dd4b6e73584f [0,1,1,0,0,0|1,0,0]=3 207 B12R1.71 COCOc1ccc(nc1)C=O 293b7ba018007cdb81de45cb4e6d1014 [0,1,1,0,0,0|1,0,0]=3 208 B12R1.71 COCOc1ccc(nn1)C=O be1a6380da1f46e2b9d923cd50161a68 [0,1,1,0,0,0|2,0,0]=4 209 B12R1.71 COCOc1ncc(cn1)C=O 7f4c88fe72a95d51bc186200f37b7da9 [0,1,1,0,0,0|2,0,0]=4 210 B12R1.71 CSCNc1ccc(cc1)C=O 1daa2cba3e106138a755dfb5a7bd2022 [0,1,1,0,0,0|1,1,0]=4 211 B12R1.71 CSCOc1ccc(cc1)C=O dd0170a06c13ae6b1c7e812c8823f315 [0,1,1,0,0,0|0,1,0]=3 212 B12R1.71 CSCOc1ccc(cc1)N=O 2aa07bd1c35cdc285133b1c459404b8b [0,1,1,0,0,0|1,1,0]=4 213 B12R1.71 CSCOc1ccc(cn1)C=O ed07301570c2e322c97386f7b30e31e9 [0,1,1,0,0,0|1,1,0]=4 214 B12R1.71 CSCOc1ccc(nc1)C=O 0755c1e64d43491993f460c98cca552a [0,1,1,0,0,0|1,1,0]=4 215 B12R1.71 N#CCNc1ccc(cc1)C=O 04bf5a3c6cba5141c766c10e20b234b2 [0,1,1,0,0,0|2,0,0]=4 216 B12R1.71 N#CCOc1ccc(cc1)C=O 5c97ef8c70604bc8fd7104a6178c4cf1 [0,1,1,0,0,0|1,0,0]=3 217 B12R1.71 N#CCOc1ccc(cc1)N=O d1daa05674bdb892a78181aa8eef31d5 [0,1,1,0,0,0|2,0,0]=4 218 B12R1.71 N#CCOc1ccc(cn1)C=O 47b678142141325491a1f6744b1f51f4 [0,1,1,0,0,0|2,0,0]=4 219 B12R1.71 N#CCOc1ccc(nc1)C=O 0ea5dc1eee6518bef0fdac94bd5fd40d [0,1,1,0,0,0|2,0,0]=4 220 B12R1.71 O=CCNc1ccc(cc1)C=O 88fbc9d33bef5e524f3299598fa9994a [0,1,1,0,0,0|1,0,1]=4 221 B12R1.71 O=CCOc1ccc(cc1)C=O 09b5d7c02de67a41a0f8cef1d721a351 [0,1,1,0,0,0|0,0,1]=3 222 B12R1.71 O=CCOc1ccc(cc1)N=O d39091425a3f217b5ddd9b58cdd1876a [0,1,1,0,0,0|1,0,1]=4 223 B12R1.71 O=CCOc1ccc(cn1)C=O 2c28b04723aeecf114609588464e26ab [0,1,1,0,0,0|1,0,1]=4 224 B12R1.71 O=CCOc1ccc(nc1)C=O a8fff0d1ba057fd3ac90e9f79cf06296 [0,1,1,0,0,0|1,0,1]=4 225 B12R1.71 O=Cc1ccc(cc1)COCF 2fed82879f2effc5bed1bb1ecaec03ef [0,1,1,0,0,0|1,0,0]=3 226 B12R1.71 O=Cc1ccc(cc1)NCCF 022e072816ba23b7b7dafb833917e94f [0,1,1,0,0,0|2,0,0]=4 227 B12R1.71 O=Cc1ccc(cc1)NCCO 5a79e9d64e8d05bc2ceaff4bad6f99dc [0,1,1,0,0,0|1,0,0]=3 228 B12R1.71 O=Cc1ccc(cc1)NCCS 32d31e8953c0737facb3e2f1515c2587 [0,1,1,0,0,0|1,1,0]=4 229 B12R1.71 O=Cc1ccc(cc1)OCCF d88859339eeb41baa516f278ae1ceb0e [0,1,1,0,0,0|1,0,0]=3 230 B12R1.71 O=Cc1ccc(cc1)OCCS 36b8ef3998b367449430d6d253a8559f [0,1,1,0,0,0|0,1,0]=3 231 B12R1.71 O=Cc1ccc(cn1)COCF 456b37eba533d10faaa0f34d26841ba0 [0,1,1,0,0,0|2,0,0]=4 232 B12R1.71 O=Cc1ccc(cn1)NCCO 5d6199fb7e3b9079a0ac05630108fbdf [0,1,1,0,0,0|2,0,0]=4 233 B12R1.71 O=Cc1ccc(cn1)OCCF 29164b0d9e73fbca902f00a0a9cfec32 [0,1,1,0,0,0|2,0,0]=4 234 B12R1.71 O=Cc1ccc(cn1)OCCS dfc7f92c543e87fd49166fb3d8bdc860 [0,1,1,0,0,0|1,1,0]=4 235 B12R1.71 O=Cc1ccc(nc1)NCCO 47cc30807a43c984f4730993b934c327 [0,1,1,0,0,0|2,0,0]=4 236 B12R1.71 O=Cc1ccc(nc1)OCCF d6a66b87d97d75acb72d0f904fcb0aa1 [0,1,1,0,0,0|2,0,0]=4 237 B12R1.71 O=Cc1ccc(nc1)OCCS aa314f519985bf47cbdc15c4c20a0f7e [0,1,1,0,0,0|1,1,0]=4 238 B12R1.71 O=Nc1ccc(cc1)OCCF 55786ce9cdd9bfffb651f48a4eb5deb2 [0,1,1,0,0,0|2,0,0]=4 239 B12R1.71 O=Nc1ccc(cc1)OCCS f3c4096b9020ad0b1d93d5d584318a79 [0,1,1,0,0,0|1,1,0]=4 240 B12R1.113 C=C(C)c1ccc(cc1)OCC a6ebbcbc37413f76bd61a84706e50fd5 [0,1,1,0,0,0|2,0,0]=4 241 B12R1.113 C=C(C)c1ccc(cc1)OCF 5d79e6af54c0828cb015ec2974105faf [0,1,1,0,0,0|2,0,0]=4 242 B12R1.113 CC(=O)c1ccc(cc1)NCF 528352a20d2a0e2eaf13de59c8af614b [0,1,1,0,0,0|2,0,0]=4 243 B12R1.113 CC(=O)c1ccc(cc1)NCO 79893f7d740729c5df6cbfcf46087f30 [0,1,1,0,0,0|1,0,0]=3 244 B12R1.113 CC(=O)c1ccc(cc1)OCF d7e7777cc492b267f3b4c4ba1d3a86e1 [0,1,1,0,0,0|1,0,0]=3 245 B12R1.113 CC(=O)c1ccc(cn1)NCO 7ddfa8e44e360f4a6736ad9063437507 [0,1,1,0,0,0|2,0,0]=4 246 B12R1.113 CC(=O)c1ccc(cn1)OCF 06769a4f2dead9359640fb49cb6d9cf3 [0,1,1,0,0,0|2,0,0]=4 247 B12R1.113 CC(=O)c1ccc(nc1)NCO 61d99e7bd1f8f5f0226827328b451edb [0,1,1,0,0,0|2,0,0]=4 248 B12R1.113 CC(=O)c1ccc(nc1)OCF e275ca8a7311e529c577bcfd6ef7b40f [0,1,1,0,0,0|2,0,0]=4 249 B12R1.113 CCNc1ccc(cc1)C(=O)C b35ee60e60698cad9dc48bce09e98790 [0,1,1,0,0,0|2,0,0]=4 250 B12R1.113 CCNc1ccc(cc1)C(=O)N 3d6b7784a7aa2c63429d396fa5488655 [0,1,1,0,0,0|2,0,0]=4 251 B12R1.113 CCNc1ccc(cc1)C(=O)O 8f6eeda21fbec87b20435375378dc36a [0,1,1,0,0,0|2,0,0]=4 252 B12R1.113 CCOc1ccc(cc1)C(=O)C b53977f501c168ba6c0028f830f86ab9 [0,1,1,0,0,0|1,0,0]=3 253 B12R1.113 CCOc1ccc(cc1)C(=O)N ff108d22f580824481f8b7bfd9371d44 [0,1,1,0,0,0|1,0,0]=3 254 B12R1.113 CCOc1ccc(cc1)C(=O)O 9a3b3a0f02305402a081179f0a81bb43 [0,1,1,0,0,0|1,0,0]=3 255 B12R1.113 CCOc1ccc(cc1)C(=S)N a9355fcbb07c93a93f8794bf21f01582 [0,1,1,0,0,0|1,1,0]=4 256 B12R1.113 CCOc1ccc(cc1)S(=O)C 280f3c9bdcf4027c69b65aecdb2eaa7c [0,1,1,0,0,0|2,0,0]=4 257 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] 3d9e3437e41505ea03b45d4f47519d74 [0,1,1,0,0,0|2,0,0]=4 258 B12R1.113 CCOc1ccc(cn1)C(=O)C 3c3b4e9bbcade07bd163de096b2eae02 [0,1,1,0,0,0|2,0,0]=4 259 B12R1.113 CCOc1ccc(cn1)C(=O)N bb610a754b5c90c11e3c462bc55ae18a [0,1,1,0,0,0|2,0,0]=4 260 B12R1.113 CCOc1ccc(cn1)C(=O)O 459d63430ff0bf6a5861daad83408624 [0,1,1,0,0,0|2,0,0]=4 261 B12R1.113 CCOc1ccc(nc1)C(=O)C 8a33ce7365fa277927eb7c3d1605c20d [0,1,1,0,0,0|2,0,0]=4 262 B12R1.113 CCOc1ccc(nc1)C(=O)N bf3cba9f7ba9bbadd64b98d2d4a0fae2 [0,1,1,0,0,0|2,0,0]=4 263 B12R1.113 CCOc1ccc(nc1)C(=O)O ab82fb2906d5fb0eb1a111593d1d07dc [0,1,1,0,0,0|2,0,0]=4 264 B12R1.113 CS(=O)c1ccc(cc1)NCO 07e7e8fe42e2ccba2e6b7bc2fb1f17c6 [0,1,1,0,0,0|2,0,0]=4 265 B12R1.113 CS(=O)c1ccc(cc1)OCF aada27ae901d85e1741fd77c29ab1de8 [0,1,1,0,0,0|2,0,0]=4 266 B12R1.113 NC(=O)c1ccc(cc1)NCF 8c1699158023a017cdae83175b491979 [0,1,1,0,0,0|2,0,0]=4 267 B12R1.113 NC(=O)c1ccc(cc1)NCO c1c8f9b4b12ab207d904b1dc0c390bd9 [0,1,1,0,0,0|1,0,0]=3 268 B12R1.113 NC(=O)c1ccc(cc1)OCF 004b961cffeef9c7a0359065e78389a1 [0,1,1,0,0,0|1,0,0]=3 269 B12R1.113 NC(=O)c1ccc(cn1)NCO ea6268eebbc86a5a086bb3c925f70601 [0,1,1,0,0,0|2,0,0]=4 270 B12R1.113 NC(=O)c1ccc(cn1)OCF 05a39720ee45e559e1d5b0148411a130 [0,1,1,0,0,0|2,0,0]=4 271 B12R1.113 NC(=O)c1ccc(nc1)NCO 61694a1440e35a2cd8a458074f34d8cd [0,1,1,0,0,0|2,0,0]=4 272 B12R1.113 NC(=O)c1ccc(nc1)OCF b5f613d56351af05672dcdbf37fbd4bf [0,1,1,0,0,0|2,0,0]=4 273 B12R1.113 NC(=S)c1ccc(cc1)NCO 9aa6e0d0f9822aee3f1182c402f284f3 [0,1,1,0,0,0|1,1,0]=4 274 B12R1.113 NC(=S)c1ccc(cc1)OCF 8d8419e5863d904a0f17d18651fa09d6 [0,1,1,0,0,0|1,1,0]=4 275 B12R1.113 O=C(O)c1ccc(cc1)NCF f9053d81297138e559bc04350bab420b [0,1,1,0,0,0|2,0,0]=4 276 B12R1.113 O=C(O)c1ccc(cc1)NCO 2ffc75099ffa25d0035f1d725df7ace9 [0,1,1,0,0,0|1,0,0]=3 277 B12R1.113 O=C(O)c1ccc(cc1)OCF 7e934a4725856120eec83da8502c980e [0,1,1,0,0,0|1,0,0]=3 278 B12R1.113 O=C(O)c1ccc(cn1)NCO 51a9b8b1aa023e4a16e664881ebaf564 [0,1,1,0,0,0|2,0,0]=4 279 B12R1.113 O=C(O)c1ccc(cn1)OCF 316d20ab9e102f34160c6fb58cb9a3ae [0,1,1,0,0,0|2,0,0]=4 280 B12R1.113 O=C(O)c1ccc(nc1)NCO 34a42cbc8279c8aca291b4f26974879f [0,1,1,0,0,0|2,0,0]=4 281 B12R1.113 O=C(O)c1ccc(nc1)OCF b95e29c2299d3b53dc9a3486a61397a0 [0,1,1,0,0,0|2,0,0]=4 282 B12R1.113 O=[N+]([O-])c1ccc(cc1)NCO ea00e077c058f218a8a7492588bf595a [0,1,1,0,0,0|2,0,0]=4 283 B12R1.113 O=[N+]([O-])c1ccc(cc1)OCF a3a1eea0b3d8601bbc1c83b81660a455 [0,1,1,0,0,0|2,0,0]=4 284 B12R1.114 C=Cc1ccc(c(c1)I)OCC 7b28a4a5be85bacb2939f94b214e3379 [0,1,1,0,0,0|2,0,0]=4 285 B12R1.114 C=Cc1ccc(c(c1)I)OCF 292312124f3b323814e2390fc8d6e61c [0,1,1,0,0,0|2,0,0]=4 286 B12R1.114 CCNc1ccc(cc1Br)C=O a8d19195f9fa918e3a01fe351056bf90 [0,1,1,0,0,0|2,0,0]=4 287 B12R1.114 CCOc1ccc(cc1Br)C=O e0b533ea3d47f93cb2475b3fad51d52a [0,1,1,0,0,0|1,0,0]=3 288 B12R1.114 CCOc1ccc(cc1C)C=O a490f9d45f869d40ff530581209ac98b [0,1,1,0,0,0|1,0,0]=3 289 B12R1.114 CCOc1ccc(cc1Cl)C=O 36f23ce16047cc5a153aa6d0c701da0c [0,1,1,0,0,0|1,0,0]=3 290 B12R1.114 CCOc1ccc(cc1F)C=O 0b8e1b6cef1ad04dbfe8bca13899108b [0,1,1,0,0,0|1,0,0]=3 291 B12R1.114 CCOc1ccc(cc1I)C=O cb2d87ab1f12c2292b2d499d6acc7d39 [0,1,1,0,0,0|1,0,0]=3 292 B12R1.114 CCOc1ccc(nc1Br)C=O 6daa3fb47e146552207e576949955f9f [0,1,1,0,0,0|2,0,0]=4 293 B12R1.114 CCOc1ncc(cc1C)C=O d05a620811a8dabec6581a53b1e2ab90 [0,1,1,0,0,0|2,0,0]=4 294 B12R1.114 CCOc1ncc(cc1Cl)C=O 6adab60fa052796ad11da8042630e576 [0,1,1,0,0,0|2,0,0]=4 295 B12R1.114 CCOc1ncc(cc1F)C=O a173eb518e5c90583b5f0ffb0d7ce567 [0,1,1,0,0,0|2,0,0]=4 296 B12R1.114 Cc1cc(ccc1OCF)C=O 45959dfaed1aafa69cade8faa973fa7d [0,1,1,0,0,0|1,0,0]=3 297 B12R1.114 Cc1cc(cnc1OCF)C=O 9284dfa91b0d09ed68833ba95e72a178 [0,1,1,0,0,0|2,0,0]=4 298 B12R1.114 Cc1nc(ccc1NCO)C=O 429b14d1fd6163cf3a353d5a494c3539 [0,1,1,0,0,0|2,0,0]=4 299 B12R1.114 O=Cc1ccc(c(c1)Br)NCF c732222b9bc65825c549bea3715cc3b3 [0,1,1,0,0,0|2,0,0]=4 300 B12R1.114 O=Cc1ccc(c(c1)Br)NCO 0387cf7742574e4b1d1e87b461380c55 [0,1,1,0,0,0|1,0,0]=3 301 B12R1.114 O=Cc1ccc(c(c1)Cl)OCF dd45a0502687b371736841ac71d0948f [0,1,1,0,0,0|1,0,0]=3 302 B12R1.114 O=Cc1ccc(c(c1)F)OCF ef0833380c125e634eb95237b97ebca7 [0,1,1,0,0,0|1,0,0]=3 303 B12R1.114 O=Cc1ccc(c(c1)I)OCF 725448561840d4dc4ea691d62bbc4d52 [0,1,1,0,0,0|1,0,0]=3 304 B12R1.114 O=Cc1ccc(c(n1)Br)OCF 225cb473f736e4f7db3c93c1cdd0b902 [0,1,1,0,0,0|2,0,0]=4 305 B12R1.114 O=Cc1cnc(c(c1)Br)NCO 5c9d3a1ef7f6757965d975f18d9a5a19 [0,1,1,0,0,0|2,0,0]=4 306 B12R1.114 O=Cc1cnc(c(c1)Cl)OCF 230359077f1b209b75f3a78f427a18eb [0,1,1,0,0,0|2,0,0]=4 307 B12R1.114 O=Cc1cnc(c(c1)F)OCF 81df05f5f19eaca2b94692bb70f2588b [0,1,1,0,0,0|2,0,0]=4 308 B12R1.116 C=CCc1ccc(cc1)NCO 6baea3b81ead57f4ec52f061cab762ea [0,1,1,0,0,0|2,0,0]=4 309 B12R1.116 C=CCc1ccc(cc1)OCC e0366c1eaff6d402c4574bf903ad8f07 [0,1,1,0,0,0|2,0,0]=4 310 B12R1.116 C=CCc1ccc(cc1)OCF e067c7b0d3f177dbfecf720e8bbd3c28 [0,1,1,0,0,0|2,0,0]=4 311 B12R1.116 CCCc1ccc(cc1)NC=O aa18d4d4986e694d624f91117086e0d4 [0,1,1,0,0,0|2,0,0]=4 312 B12R1.116 CCOc1ccc(cc1)CC=O d396566923ca8b1263eeb7e7a1a9ca05 [0,1,1,0,0,0|1,0,0]=3 313 B12R1.116 CCOc1ccc(cc1)NC=O b2a95d08ee862dc8f9740ff99ca19d37 [0,1,1,0,0,0|1,0,0]=3 314 B12R1.116 CCOc1ccc(cn1)NC=O da6331fe5425d4b576381760a5319c9f [0,1,1,0,0,0|2,0,0]=4 315 B12R1.116 CCOc1ccc(nc1)NC=O 4191d5d00414a1957545a6be816ef7ae [0,1,1,0,0,0|2,0,0]=4 316 B12R1.116 O=CCc1ccc(cc1)OCF 9870f5aa35243ec3b3c997dda6c0ddd5 [0,1,1,0,0,0|1,0,0]=3 317 B12R1.116 O=CNc1ccc(cc1)CCBr 5e21c8f8accd603f00e48348bd2db86a [0,1,1,0,0,0|2,0,0]=4 318 B12R1.116 O=CNc1ccc(cc1)CCO 23a360879cf3725f1c436b5bd4d67e8e [0,1,1,0,0,0|1,0,0]=3 319 B12R1.116 O=CNc1ccc(cc1)OCF e04836327428587b8e216a769a7750c1 [0,1,1,0,0,0|1,0,0]=3 320 B12R1.288 CCNc1ccc(c(c1)Br)C=O 453bfa34686a671bdab29003e2c4cec1 [0,1,1,0,0,0|2,0,0]=4 321 B12R1.288 CCNc1ccc(c(c1)Cl)C=O 1e58c995af2ed33eb148058b09c81fa8 [0,1,1,0,0,0|2,0,0]=4 322 B12R1.288 CCNc1ccc(c(c1)F)C=O 71fcbba248cbaacf38d87632f1239d49 [0,1,1,0,0,0|2,0,0]=4 323 B12R1.288 CCOc1ccc(c(c1)Br)C=O 2b1f24fade03fde71f80ba0e00389b3c [0,1,1,0,0,0|1,0,0]=3 324 B12R1.288 CCOc1ccc(c(c1)C)C=O 9263f779ce60fda3ccf45ae44ec66185 [0,1,1,0,0,0|1,0,0]=3 325 B12R1.288 CCOc1ccc(c(c1)Cl)C=O 3cf78651626f3c17868c313afa6977ff [0,1,1,0,0,0|1,0,0]=3 326 B12R1.288 CCOc1ccc(c(c1)F)C=O 84906cc1f5a65aef3afc68446f39b7de [0,1,1,0,0,0|1,0,0]=3 327 B12R1.288 CCOc1ccc(c(c1)I)C=O b6ba9b839a779b2f60d5dfa6145a5e72 [0,1,1,0,0,0|1,0,0]=3 328 B12R1.288 CCOc1cnc(c(c1)Cl)C=O 096edc7352f69b5c826080a0812e9382 [0,1,1,0,0,0|2,0,0]=4 329 B12R1.288 CCOc1cnc(c(c1)F)C=O 9dba18d811627b02b06856be88ea113b [0,1,1,0,0,0|2,0,0]=4 330 B12R1.288 Cc1cc(ccc1C=O)OCF 51d0f9c153ccc96248191a75c10d9a1a [0,1,1,0,0,0|1,0,0]=3 331 B12R1.288 Cc1nc(ccc1C=O)NCO 0f0b4729512f52a304bb1804c8fc7062 [0,1,1,0,0,0|2,0,0]=4 332 B12R1.288 O=Cc1ccc(cc1Br)NCF c948c3387474719215b79914f86a7f25 [0,1,1,0,0,0|2,0,0]=4 333 B12R1.288 O=Cc1ccc(cc1Br)NCO 104719d02cc1055c909c12c983734a27 [0,1,1,0,0,0|1,0,0]=3 334 B12R1.288 O=Cc1ccc(cc1Br)OCF 3d205eb00e05a01d947374e81f763eed [0,1,1,0,0,0|1,0,0]=3 335 B12R1.288 O=Cc1ccc(cc1Cl)NCF 335cb56735f871343bed76b26980ff38 [0,1,1,0,0,0|2,0,0]=4 336 B12R1.288 O=Cc1ccc(cc1Cl)NCO 0c0a187c54caaf006a051f8f9c79f860 [0,1,1,0,0,0|1,0,0]=3 337 B12R1.288 O=Cc1ccc(cc1Cl)OCF 8abc73d2f8637da08ad8210c9830113b [0,1,1,0,0,0|1,0,0]=3 338 B12R1.288 O=Cc1ccc(cc1F)NCF a054c642773b198722ecf11cba4f6512 [0,1,1,0,0,0|2,0,0]=4 339 B12R1.288 O=Cc1ccc(cc1F)NCO 4143d5ef18237b7b28b317cacfdd1ebb [0,1,1,0,0,0|1,0,0]=3 340 B12R1.288 O=Cc1ccc(cc1F)OCF 1bebfdcc48ec6573bf9f43c14a472d1d [0,1,1,0,0,0|1,0,0]=3 341 B12R1.288 O=Cc1ccc(cc1I)OCF 7312be805fb7914b36249cb62fad5288 [0,1,1,0,0,0|1,0,0]=3 342 B12R1.288 O=Cc1ncc(cc1Cl)OCF 1b12f01c879db55d570e48ce93877216 [0,1,1,0,0,0|2,0,0]=4 343 B12R1.288 O=Cc1ncc(cc1F)OCF 9fd69bc9d5fb864ac80e89b03d171ea4 [0,1,1,0,0,0|2,0,0]=4 344 B12R1.41 CCOc1cc(cc(c1)C=O)Br d63ed121d73a397eeb949f4ad6bde61a [0,1,1,0,0,0|1,0,0]=3 345 B12R1.41 CCOc1cc(cc(c1)C=O)C 47109f2bfe6c4215ea591fe22056f989 [0,1,1,0,0,0|1,0,0]=3 346 B12R1.41 CCOc1cc(cc(c1)C=O)Cl 95a9a62094b34939beb2c4dc8789f64a [0,1,1,0,0,0|1,0,0]=3 347 B12R1.41 CCOc1cc(cc(c1)C=O)F c417312730c204cbf1ca2c6001f88d1a [0,1,1,0,0,0|1,0,0]=3 348 B12R1.41 Cc1cc(cc(c1)OCF)C=O 9478452469a3eac92d35efdfde5ff798 [0,1,1,0,0,0|1,0,0]=3 349 B12R1.41 O=Cc1cc(cc(c1)OCF)Br 2dc90e7a01d17fc423fa068c99fffb03 [0,1,1,0,0,0|1,0,0]=3 350 B12R1.41 O=Cc1cc(cc(c1)OCF)Cl 9d59d27d1e01fd15361798a16adb4d7c [0,1,1,0,0,0|1,0,0]=3 351 B12R1.41 O=Cc1cc(cc(c1)OCF)F d747f9490443e26340d90d7fa5acfaf6 [0,1,1,0,0,0|1,0,0]=3 352 B12R1.270 CCNc1cc(ccc1Br)C=O 3ef152aed76f11382c5a337fdfe85125 [0,1,1,0,0,0|2,0,0]=4 353 B12R1.270 CCOc1cc(ccc1Br)C=O 1b5bce7c9653b01289df7cb0a2ab3594 [0,1,1,0,0,0|1,0,0]=3 354 B12R1.270 CCOc1cc(ccc1C)C=O 74747a4855630df8d5774a2e82ffc8e6 [0,1,1,0,0,0|1,0,0]=3 355 B12R1.270 CCOc1cc(ccc1Cl)C=O 3d53214c16ff0dff40a7022516aa96bc [0,1,1,0,0,0|1,0,0]=3 356 B12R1.270 CCOc1cc(ccc1F)C=O ca604a30fab5b497b3a881337f65b8e7 [0,1,1,0,0,0|1,0,0]=3 357 B12R1.270 CCOc1cc(ccc1I)C=O 3a2192b4e812adb6cbaf1d4929657204 [0,1,1,0,0,0|1,0,0]=3 358 B12R1.270 CCOc1cc(cnc1Br)C=O 8e254c449599c71a2aa50a24b3a99d76 [0,1,1,0,0,0|2,0,0]=4 359 B12R1.270 CCOc1cc(cnc1Cl)C=O 286c94e861974e86c8527b117c4f0591 [0,1,1,0,0,0|2,0,0]=4 360 B12R1.270 Cc1ccc(cc1OCF)C=O 3fb26f96f16098e4ea6fe11652ab395f [0,1,1,0,0,0|1,0,0]=3 361 B12R1.270 O=Cc1ccc(c(c1)NCF)Br 8bac229366af4f60927bbcee864f5d4c [0,1,1,0,0,0|2,0,0]=4 362 B12R1.270 O=Cc1ccc(c(c1)NCO)Br e53e0326c0f2b416a321e37b1825779b [0,1,1,0,0,0|1,0,0]=3 363 B12R1.270 O=Cc1ccc(c(c1)OCF)Br aab48cf86d14672b407a53bc538b9b1d [0,1,1,0,0,0|1,0,0]=3 364 B12R1.270 O=Cc1ccc(c(c1)OCF)Cl d088dc65163f78e52453e36b5ca08ab5 [0,1,1,0,0,0|1,0,0]=3 365 B12R1.270 O=Cc1ccc(c(c1)OCF)F ec9e18a22d904318a1f476e36a651c96 [0,1,1,0,0,0|1,0,0]=3 366 B12R1.270 O=Cc1ccc(c(c1)OCF)I 761b85fc128735bdc56c7f91c4e75cd2 [0,1,1,0,0,0|1,0,0]=3 367 B12R1.270 O=Cc1cnc(c(c1)OCF)Br 051312db7125278410862222fe45aa27 [0,1,1,0,0,0|2,0,0]=4 368 B12R1.270 O=Cc1cnc(c(c1)OCF)Cl ba019fe89cc246d8607a642c5a9d1fd8 [0,1,1,0,0,0|2,0,0]=4 369 B12R1.278 C=CCc1cccc(c1)NCO 4adbb1236f67c5ea96d2da2648af3f20 [0,1,1,0,0,0|2,0,0]=4 370 B12R1.278 C=CCc1cccc(c1)OCC f395385d10e0df18b628442cfe5156d0 [0,1,1,0,0,0|2,0,0]=4 371 B12R1.278 C=CCc1cccc(c1)OCF c092f6d706b853d9759864f0380d0f29 [0,1,1,0,0,0|2,0,0]=4 372 B12R1.278 CCCc1cccc(c1)NC=O 92853e9b993e221592774ac9bcf15749 [0,1,1,0,0,0|2,0,0]=4 373 B12R1.278 CCOc1cc(ccn1)NC=O 706a3f59f8c4a1ae0e1fb0801646ca75 [0,1,1,0,0,0|2,0,0]=4 374 B12R1.278 CCOc1cccc(c1)NC=O 81803d0a176fdf80868828bdb2278054 [0,1,1,0,0,0|1,0,0]=3 375 B12R1.278 CCOc1cccc(n1)NC=O b057122a3896c1b92a6dc8da2e82401d [0,1,1,0,0,0|2,0,0]=4 376 B12R1.278 CCOc1ccnc(c1)NC=O 2dff342a83a6fa03356f88028909a7a8 [0,1,1,0,0,0|2,0,0]=4 377 B12R1.278 CCOc1cncc(c1)NC=O 8b1133dff33b5ff39ccde425f849c432 [0,1,1,0,0,0|2,0,0]=4 378 B12R1.278 O=CNc1cc(ccn1)CCO bbd5e00abf5f61b434d35e3a4779e066 [0,1,1,0,0,0|2,0,0]=4 379 B12R1.278 O=CNc1cccc(c1)CCO 532b7b76d35530d7736ca3136706994a [0,1,1,0,0,0|1,0,0]=3 380 B12R1.278 O=CNc1cccc(c1)OCF cb20e0b5321952ed26d48b64ac7ca590 [0,1,1,0,0,0|1,0,0]=3 381 B12R1.278 O=CNc1cccc(n1)CCO d69c905abf3c637d3a600d01d160d95c [0,1,1,0,0,0|2,0,0]=4 382 B12R1.278 O=CNc1ccnc(c1)CCO 77898c8ab24e4153983f09dcca7963f2 [0,1,1,0,0,0|2,0,0]=4 383 B12R1.279 CC(=O)c1cc(ccn1)NCO d1a6371010ad813843c42ad115c6486d [0,1,1,0,0,0|2,0,0]=4 384 B12R1.279 CC(=O)c1cccc(c1)NCF 6b128f592a9bb6434d70f6a554575e19 [0,1,1,0,0,0|2,0,0]=4 385 B12R1.279 CC(=O)c1cccc(c1)NCO e79d36c8714c519604073a7e9714328d [0,1,1,0,0,0|1,0,0]=3 386 B12R1.279 CC(=O)c1cccc(c1)OCF f42ff2902b0e5863f24cbaf744ccb61d [0,1,1,0,0,0|1,0,0]=3 387 B12R1.279 CC(=O)c1cccc(n1)NCO abe26ffe84710dd3655dc39d2e1192e8 [0,1,1,0,0,0|2,0,0]=4 388 B12R1.279 CC(=O)c1ccnc(c1)NCO 83432951b9bad5cb20dbed0cb34fed58 [0,1,1,0,0,0|2,0,0]=4 389 B12R1.279 CC(=O)c1cncc(c1)OCF 7fe99178698d2b833f99f52e5e1a276c [0,1,1,0,0,0|2,0,0]=4 390 B12R1.279 CCNc1cccc(c1)C(=O)C 3e2e63d35d5d484da292f2b4ea8d065c [0,1,1,0,0,0|2,0,0]=4 391 B12R1.279 CCNc1cccc(c1)C(=O)N aeed616b57d78051a6a7d43bed32fe9d [0,1,1,0,0,0|2,0,0]=4 392 B12R1.279 CCNc1cccc(c1)C(=O)O 60ed91d60ea3237fabf4a94701e08688 [0,1,1,0,0,0|2,0,0]=4 393 B12R1.279 CCOc1cc(ccn1)C(=O)O 87ddcc80552a353a8a7320f59c904632 [0,1,1,0,0,0|2,0,0]=4 394 B12R1.279 CCOc1cccc(c1)C(=O)C 318296c0ec02dfbe810a382ac505f5f3 [0,1,1,0,0,0|1,0,0]=3 395 B12R1.279 CCOc1cccc(c1)C(=O)N 78e78dd5cc1adb0e63ceab04724d2f6e [0,1,1,0,0,0|1,0,0]=3 396 B12R1.279 CCOc1cccc(c1)C(=O)O 9fe956bbd42b12e2b3cab7694f3d9e64 [0,1,1,0,0,0|1,0,0]=3 397 B12R1.279 CCOc1cccc(c1)C(=S)N a5adb2e2498c5c13de2caad530d0b899 [0,1,1,0,0,0|1,1,0]=4 398 B12R1.279 CCOc1cccc(c1)[N+](=O)[O-] 3cf357f803818d695c1fdec41c125bdf [0,1,1,0,0,0|2,0,0]=4 399 B12R1.279 CCOc1cccc(n1)C(=O)N 27452b9f7387544fcbf9eab46bde7937 [0,1,1,0,0,0|2,0,0]=4 400 B12R1.279 CCOc1cccc(n1)C(=O)O e2852e8af7cb55fb66d9f83bf2f138ef [0,1,1,0,0,0|2,0,0]=4 401 B12R1.279 CCOc1ccnc(c1)C(=O)O e82e73c203a285717a2f86d67979d755 [0,1,1,0,0,0|2,0,0]=4 402 B12R1.279 CCOc1cncc(c1)C(=O)C dcf9b10ab7ae79b37e4eefe4edac3edf [0,1,1,0,0,0|2,0,0]=4 403 B12R1.279 CCOc1cncc(c1)C(=O)N a62eea6a84c9cd731bc0b038f00d2d4b [0,1,1,0,0,0|2,0,0]=4 404 B12R1.279 CCOc1cncc(c1)C(=O)O 225ac4a9a1c626a891f619ffc1b65d57 [0,1,1,0,0,0|2,0,0]=4 405 B12R1.279 NC(=O)c1cc(ccn1)NCO f6314c4c1d6690c7fe8ebff9889e47ff [0,1,1,0,0,0|2,0,0]=4 406 B12R1.279 NC(=O)c1cccc(c1)NCF a95948e28e6b4cc5b7908017747eaceb [0,1,1,0,0,0|2,0,0]=4 407 B12R1.279 NC(=O)c1cccc(c1)NCO 79cf549b271ce4e9bdab4487fd16f73a [0,1,1,0,0,0|1,0,0]=3 408 B12R1.279 NC(=O)c1cccc(c1)OCF d84ad54af88b89eeee1e1c4d561ae2de [0,1,1,0,0,0|1,0,0]=3 409 B12R1.279 NC(=O)c1cccc(n1)NCO 7fd4b2a7d7aef5530d37a0063b89dbe8 [0,1,1,0,0,0|2,0,0]=4 410 B12R1.279 NC(=O)c1cccc(n1)OCF a7d96b2721727e0bb1ef58632075de13 [0,1,1,0,0,0|2,0,0]=4 411 B12R1.279 NC(=O)c1ccnc(c1)NCO 2c115e993ea8a964b616a0a1bcf78ab0 [0,1,1,0,0,0|2,0,0]=4 412 B12R1.279 NC(=O)c1cncc(c1)NCO c53baa3d643eb1a05f296a8f0f54f4d1 [0,1,1,0,0,0|2,0,0]=4 413 B12R1.279 NC(=O)c1cncc(c1)OCF 34d1208e0acf87e47fa3c7136a9625c9 [0,1,1,0,0,0|2,0,0]=4 414 B12R1.279 NC(=S)c1cccc(c1)NCO 13c10145b112bb045f141572a1927f69 [0,1,1,0,0,0|1,1,0]=4 415 B12R1.279 NC(=S)c1cccc(c1)OCF 1640965ea1c7a317546b5cfe94e02159 [0,1,1,0,0,0|1,1,0]=4 416 B12R1.279 O=C(O)c1cc(ccn1)NCO a21983bcdb270b47a71430ae43e52394 [0,1,1,0,0,0|2,0,0]=4 417 B12R1.279 O=C(O)c1cc(ccn1)OCF 7ea0eef8ba6cc98578a92ecdda29e36d [0,1,1,0,0,0|2,0,0]=4 418 B12R1.279 O=C(O)c1cccc(c1)NCF 20db4dc21f1814b01f986abf27cb7413 [0,1,1,0,0,0|2,0,0]=4 419 B12R1.279 O=C(O)c1cccc(c1)NCO 2ed5681af03b5fc357f16f5e624da5aa [0,1,1,0,0,0|1,0,0]=3 420 B12R1.279 O=C(O)c1cccc(c1)OCF cea9eeeaed82f83e1b2260b1e8990138 [0,1,1,0,0,0|1,0,0]=3 421 B12R1.279 O=C(O)c1cccc(n1)NCO 3ad10288c3e952f6bb6ec40eaea2d96a [0,1,1,0,0,0|2,0,0]=4 422 B12R1.279 O=C(O)c1cccc(n1)OCF de1b5b74455f68f148935e4e4eb028fb [0,1,1,0,0,0|2,0,0]=4 423 B12R1.279 O=C(O)c1ccnc(c1)NCO d3fb8830adfa3ddaf36330ee0b684bb7 [0,1,1,0,0,0|2,0,0]=4 424 B12R1.279 O=C(O)c1ccnc(c1)OCF 9ceee52d352da886051035c4b9a53380 [0,1,1,0,0,0|2,0,0]=4 425 B12R1.279 O=C(O)c1cncc(c1)NCO f117209a7f850c016c842328c402703a [0,1,1,0,0,0|2,0,0]=4 426 B12R1.279 O=C(O)c1cncc(c1)OCF ff131fd8cca6ea6b17f2ce86d0a1a867 [0,1,1,0,0,0|2,0,0]=4 427 B12R1.279 O=[N+]([O-])c1cccc(c1)NCO 2402f6dbbedafe0c7fa49cf50f8e08a0 [0,1,1,0,0,0|2,0,0]=4 428 B12R1.279 O=[N+]([O-])c1cccc(c1)OCF aae7810a4a98eeee1a3b184b8e73a872 [0,1,1,0,0,0|2,0,0]=4 429 B12R1.280 CCOc1cccc(c1Br)C=O 6006a5ab3c7a94f20aef6d281609151f [0,1,1,0,0,0|1,0,0]=3 430 B12R1.280 CCOc1cccc(c1C)C=O d6cf9245208c61c009907d4f55db5c0c [0,1,1,0,0,0|1,0,0]=3 431 B12R1.280 CCOc1cccc(c1Cl)C=O ea90b60b7bf499d934b1eb411b849100 [0,1,1,0,0,0|1,0,0]=3 432 B12R1.280 CCOc1cccc(c1F)C=O cdbce39725ce78d7854f3095d7e07f64 [0,1,1,0,0,0|1,0,0]=3 433 B12R1.280 Cc1c(cccc1OCF)C=O 33ed02e958572537c9612ab883d84419 [0,1,1,0,0,0|1,0,0]=3 434 B12R1.280 O=Cc1cccc(c1Br)OCF 0ccd6388498257a82f245ef5214eb58c [0,1,1,0,0,0|1,0,0]=3 435 B12R1.280 O=Cc1cccc(c1Cl)OCF bd03613e907b2298da09d64dec03a86e [0,1,1,0,0,0|1,0,0]=3 436 B12R1.280 O=Cc1cccc(c1F)OCF d4ca7b36deb35389d3671d2bb60b97a8 [0,1,1,0,0,0|1,0,0]=3 437 B12R1.286 CCOc1cc(c(cn1)Br)C=O 66a96f9066bc1ea9f45374d2a80a6b2a [0,1,1,0,0,0|2,0,0]=4 438 B12R1.286 CCOc1ccc(c(c1)C=O)Br 1ad849079d797d17f08d95c7d3af1162 [0,1,1,0,0,0|1,0,0]=3 439 B12R1.286 CCOc1ccc(c(c1)C=O)C 15a85cfdb2bcaedb501384ebbc6db31b [0,1,1,0,0,0|1,0,0]=3 440 B12R1.286 CCOc1ccc(c(c1)C=O)Cl c9b4564c074f42314addd59eb52602de [0,1,1,0,0,0|1,0,0]=3 441 B12R1.286 CCOc1ccc(c(c1)C=O)F 7e8d641e54937fd1d8185a5c587d1254 [0,1,1,0,0,0|1,0,0]=3 442 B12R1.286 CCOc1ccc(c(c1)C=O)I 426b95989f9d2befb9577740a65c8101 [0,1,1,0,0,0|1,0,0]=3 443 B12R1.286 Cc1ccc(cc1C=O)OCF 1b3d3caebb3691726128b59063acc454 [0,1,1,0,0,0|1,0,0]=3 444 B12R1.286 O=Cc1cc(ccc1Br)OCF 4a926d26d3d6cb5d460ae5f8afbd18c6 [0,1,1,0,0,0|1,0,0]=3 445 B12R1.286 O=Cc1cc(ccc1Cl)OCF ea5466ff7e954a25550322cceabc80f4 [0,1,1,0,0,0|1,0,0]=3 446 B12R1.286 O=Cc1cc(ccc1F)OCF dec06ee17554d338113e28f18f46551b [0,1,1,0,0,0|1,0,0]=3 447 B12R1.286 O=Cc1cc(ccc1I)OCF c4f584065dfd29f846ae8b2cfdd175ae [0,1,1,0,0,0|1,0,0]=3 448 B12R1.286 O=Cc1cc(ncc1Br)OCF 238995359210a0aca948eb8cb7fae1c4 [0,1,1,0,0,0|2,0,0]=4 449 B12R1.382 C#CCOc1cc(ccn1)C=O 9db84d40e9c4e2480d101813d5401156 [0,1,1,0,0,0|2,0,0]=4 450 B12R1.382 C#CCOc1cccc(c1)C=C 8097d2da7d1864ffb1f934086094621e [0,1,1,0,0,0|2,0,0]=4 451 B12R1.382 C#CCOc1cccc(c1)C=O 2410f2f24c1042aa951c810f856a2aa7 [0,1,1,0,0,0|1,0,0]=3 452 B12R1.382 C#CCOc1cncc(c1)C=O c2e6c3076ae4dd01c0913b6db6fef848 [0,1,1,0,0,0|2,0,0]=4 453 B12R1.382 C#Cc1cccc(c1)OCOC ebe47240b0cec622f06f59637523abf9 [0,1,1,0,0,0|1,0,1]=4 454 B12R1.382 C=CCOc1cc(ccn1)C=O 95cd9f0c5f590ef1109d66f67a5d3df7 [0,1,1,0,0,0|2,0,0]=4 455 B12R1.382 C=CCOc1cccc(c1)C=C bad0fc1704271d392421e9feffd7f5d1 [0,1,1,0,0,0|2,0,0]=4 456 B12R1.382 C=CCOc1cccc(c1)C=O 67b687aeb206ef79d45578dbd3442224 [0,1,1,0,0,0|1,0,0]=3 457 B12R1.382 C=CCOc1cncc(c1)C=O 04816c1c91f66deedcabd4cc2fab08b7 [0,1,1,0,0,0|2,0,0]=4 458 B12R1.382 C=Cc1cccc(c1)COCC ab7097d3cc7fbef14952297b4960b713 [0,1,1,0,0,0|2,0,0]=4 459 B12R1.382 C=Cc1cccc(c1)COCF cc674916704e1083581ec4cdb1e01e0b [0,1,1,0,0,0|2,0,0]=4 460 B12R1.382 C=Cc1cccc(c1)NCCO 5b68736fbe92a3f6690bfc2577e1d9a4 [0,1,1,0,0,0|2,0,0]=4 461 B12R1.382 C=Cc1cccc(c1)NCOC b1a61b55a6afbac5aa4c88f5f408ae09 [0,1,1,0,0,0|2,0,0]=4 462 B12R1.382 C=Cc1cccc(c1)OCC#N 38fb9fb658eb59575f32595357c6fcd2 [0,1,1,0,0,0|2,0,0]=4 463 B12R1.382 C=Cc1cccc(c1)OCC=O 123dfb716e65d36628880dd6d2f7d0b9 [0,1,1,0,0,0|1,0,1]=4 464 B12R1.382 C=Cc1cccc(c1)OCCC 17035cc7a5f79f5722c9102a227ed3d6 [0,1,1,0,0,0|2,0,0]=4 465 B12R1.382 C=Cc1cccc(c1)OCCF 2d228a7f2085b458d25a6740cd52e9b8 [0,1,1,0,0,0|2,0,0]=4 466 B12R1.382 C=Cc1cccc(c1)OCCS 8a7852f85bbab85df511257f83245ccb [0,1,1,0,0,0|1,1,0]=4 467 B12R1.382 C=Cc1cccc(c1)OCOC 6c67d4f7fedeb60f0fcb89dc44720a7d [0,1,1,0,0,0|1,0,0]=3 468 B12R1.382 C=Cc1cccc(c1)OCSC 73b171fea849d5d076ef4914159be231 [0,1,1,0,0,0|1,1,0]=4 469 B12R1.382 CCCNc1cccc(c1)C=O 86db3c7624ad38ce56be3bba817833bd [0,1,1,0,0,0|2,0,0]=4 470 B12R1.382 CCCOc1cc(ccn1)C=O d55fd2a13008e90697436f323ee65b8c [0,1,1,0,0,0|2,0,0]=4 471 B12R1.382 CCCOc1cccc(c1)C=O 21f91abf3f9aa4f00ed6592132e8491a [0,1,1,0,0,0|1,0,0]=3 472 B12R1.382 CCCOc1cncc(c1)C=O aedc27c4ae1a42f094b94a3ecfe5156a [0,1,1,0,0,0|2,0,0]=4 473 B12R1.382 CCOCc1cc(ccn1)C=O 23c28d9a4746e26ccddae9907a9c3d64 [0,1,1,0,0,0|2,0,0]=4 474 B12R1.382 CCOCc1cccc(c1)C=O c456bcdabdece2523f46d420d0823e08 [0,1,1,0,0,0|1,0,0]=3 475 B12R1.382 CCOCc1cccc(n1)C=O b43ab359a6cd925f081943637e3409c2 [0,1,1,0,0,0|2,0,0]=4 476 B12R1.382 CCOCc1ccnc(c1)C=O 79c33e61855b1bb9086c6772b105ad29 [0,1,1,0,0,0|2,0,0]=4 477 B12R1.382 CCc1cccc(c1)OCOC 5b91874ca3295ec1f6368fa2e0d4d4f1 [0,1,1,0,0,0|1,0,1]=4 478 B12R1.382 COCNc1cccc(n1)C=O cb95b41990cc7daee1b93f0be117adcf [0,1,1,0,0,0|2,0,0]=4 479 B12R1.382 COCOc1cc(ccn1)C=O 66fa1321f013a198d4f3a14d43f977d5 [0,1,1,0,0,0|1,0,0]=3 480 B12R1.382 COCOc1cc(ncn1)C=O 8fc1c445bf8400796dd1498d282bd458 [0,1,1,0,0,0|2,0,0]=4 481 B12R1.382 COCOc1cccc(c1)C#N e2e30a2c32ff0542f281cdb922732468 [0,1,1,0,0,0|1,0,1]=4 482 B12R1.382 COCOc1cccc(c1)C=O 5074b96e45484625057f70042708e203 [0,1,1,0,0,0|0,0,0]=2 483 B12R1.382 COCOc1cccc(c1)OC dfbbb1686556705bf6dcd9f552619401 [0,1,1,0,0,0|2,0,0]=4 484 B12R1.382 COCOc1cccc(c1)SC c1e6134946a42854ef52cb2d9ca3ebc6 [0,1,1,0,0,0|2,0,0]=4 485 B12R1.382 COCOc1cncc(c1)C=O 61a3fba52ecb35fb18cc8dd26b80aed3 [0,1,1,0,0,0|1,0,0]=3 486 B12R1.382 CSCOc1cc(ccn1)C=O 1c20f926bab7cc730ca47fe8e8935d32 [0,1,1,0,0,0|1,1,0]=4 487 B12R1.382 CSCOc1cccc(c1)C=O 6c497b7a4bcd038761dfbc473fb468b0 [0,1,1,0,0,0|0,1,0]=3 488 B12R1.382 CSCOc1cncc(c1)C=O b8c59591106b0f831cc73dc4d024350a [0,1,1,0,0,0|1,1,0]=4 489 B12R1.382 N#CCNc1cccc(c1)C=O a94f89e2ca8a11e636cec284e433deb3 [0,1,1,0,0,0|2,0,0]=4 490 B12R1.382 N#CCOc1cc(ccn1)C=O 453449430e0026b0f859b85c1d32306e [0,1,1,0,0,0|2,0,0]=4 491 B12R1.382 N#CCOc1cccc(c1)C=O 64948069ed5a2efb377f8e6c22a7292b [0,1,1,0,0,0|1,0,0]=3 492 B12R1.382 N#CCOc1cncc(c1)C=O f5d681b485bee632ce252b17ba9608ad [0,1,1,0,0,0|2,0,0]=4 493 B12R1.382 O=CCOc1cc(ccn1)C=O 2feaba586132c4991438871ab85e71af [0,1,1,0,0,0|1,0,1]=4 494 B12R1.382 O=CCOc1cccc(c1)C=O 3e81f67fa30efbb9d440f9ce41d2a866 [0,1,1,0,0,0|0,0,1]=3 495 B12R1.382 O=CCOc1cncc(c1)C=O e8d953546429b5e01d69158adfcc9241 [0,1,1,0,0,0|1,0,1]=4 496 B12R1.382 O=Cc1cc(ccn1)COCF 4b0fce90a4fe42498871486ef8c1654e [0,1,1,0,0,0|2,0,0]=4 497 B12R1.382 O=Cc1cc(ccn1)NCCO 2e08c05021427cc5237e0f430659d28c [0,1,1,0,0,0|2,0,0]=4 498 B12R1.382 O=Cc1cccc(c1)COCF f26840990b42affca6386156f8d741c7 [0,1,1,0,0,0|1,0,0]=3 499 B12R1.382 O=Cc1cccc(c1)NCCBr 413e65f0f38a970264dd2826bebbd3d3 [0,1,1,0,0,0|2,0,0]=4 500 B12R1.382 O=Cc1cccc(c1)NCCF 6845ce35297e7ccf85e26bdf57b77cb2 [0,1,1,0,0,0|2,0,0]=4 501 B12R1.382 O=Cc1cccc(c1)NCCI 1870fd9a7556534baf442d764fdabed9 [0,1,1,0,0,0|2,0,0]=4 502 B12R1.382 O=Cc1cccc(c1)NCCO fc8e39f56787c566bdba0358c9b6d861 [0,1,1,0,0,0|1,0,0]=3 503 B12R1.382 O=Cc1cccc(c1)NCCS 3f1fc8e47c42a5ec0e419d228efedb23 [0,1,1,0,0,0|1,1,0]=4 504 B12R1.382 O=Cc1cccc(c1)OCCF 95d98d6b8c3d81781dec19f2a083a18e [0,1,1,0,0,0|1,0,0]=3 505 B12R1.382 O=Cc1cccc(c1)OCCS 2dc9886b8012ed24ac97363ce66733f2 [0,1,1,0,0,0|0,1,0]=3 506 B12R1.382 O=Cc1cccc(n1)COCF dc54694c159b00b9493cf914554ad4a0 [0,1,1,0,0,0|2,0,0]=4 507 B12R1.382 O=Cc1cccc(n1)NCCO c8dfb27cac6575498df3fdaa7123b408 [0,1,1,0,0,0|2,0,0]=4 508 B12R1.382 O=Cc1ccnc(c1)COCF 88feecdabe5b479d8fbde993298e60cd [0,1,1,0,0,0|2,0,0]=4 509 B12R1.382 O=Cc1ccnc(c1)NCCO d6c9919adfe5d04b2b9bf11c74f9c6f4 [0,1,1,0,0,0|2,0,0]=4 510 B12R1.382 O=Cc1ccnc(c1)OCCF 2b5ca626c0983d4a79aa334044615741 [0,1,1,0,0,0|2,0,0]=4 511 B12R1.382 O=Cc1ccnc(c1)OCCS b9722843bb181e56593a476943303ea9 [0,1,1,0,0,0|1,1,0]=4 512 B12R1.382 O=Cc1cncc(c1)NCCO 226f4d4fd01a7b54aa552194238bcde4 [0,1,1,0,0,0|2,0,0]=4 513 B12R1.382 O=Cc1cncc(c1)OCCF 58b1ec4c956cc5bf178fc9d67b94db86 [0,1,1,0,0,0|2,0,0]=4 514 B12R1.382 O=Cc1cncc(c1)OCCS 34a598a762fb6d4b379f34b01eb31e54 [0,1,1,0,0,0|1,1,0]=4 515 B12R1.435 CCN(C)c1cccc(c1)C=O 2ef7af07d9eaa31c02cf7fa95d22c099 [0,1,1,0,0,0|2,0,0]=4 516 B12R1.438 C=Cc1cccc(c1)OC(C)C aaa7ec7c9b22cec63f98cb575696cfc5 [0,1,1,0,0,0|2,0,0]=4 517 B12R1.438 CC(C)Oc1cc(ccn1)C=O 517412a7ffc9096a7532eb824a96ded7 [0,1,1,0,0,0|2,0,0]=4 518 B12R1.438 CC(C)Oc1cccc(c1)C=O 38c2027ae121387f1f4e344f65c26cff [0,1,1,0,0,0|1,0,0]=3 519 B12R1.438 CC(C)Oc1cncc(c1)C=O 1ec663b8482f5c3c01eeafba8f8c735a [0,1,1,0,0,0|2,0,0]=4 520 B12R2.143 O=CNc1ccc2c(c1)CC2 d443a04a00d8a94524884e4992c5abc5 [0,1,0,0,1,0|1,0,0]=3 521 B14R2.112 CCNc1ccc2c(c1)OCCO2 9b319f8713c072584f39d888fa6062e8 [0,1,0,0,0,1|1,0,1]=4 522 B14R2.112 CCOc1ccc2c(c1)OCCO2 35bf57907a4a3272b965de95b0f21f74 [0,1,0,0,0,1|1,0,1]=4 523 B14R2.112 FCNc1ccc2c(c1)OCCO2 fca47fe56994b5370739cac337fecddb [0,1,0,0,0,1|1,0,1]=4 524 B14R2.112 FCOc1ccc2c(c1)OCCO2 6f21eac70b4bd686a1e1d3dd96fedc7e [0,1,0,0,0,1|1,0,1]=4 525 B14R2.112 N#CNc1ccc2c(c1)OCCO2 984db65053280b890efa48b1e9737176 [0,1,0,0,0,1|1,0,1]=4 526 B14R2.112 O=CNc1ccc2c(c1)CCCC2 d621dfca6526e7e0c42358479188e472 [0,1,0,0,0,1|2,0,0]=4 527 B14R2.112 O=CNc1ccc2c(c1)CCCO2 f3919dbe54fbb9ae4400e97b3670cddc [0,1,0,0,0,1|1,0,0]=3 528 B14R2.112 O=CNc1ccc2c(c1)CCOC2 59ee5f6634e6e82818840fca7bbc47c0 [0,1,0,0,0,1|1,0,0]=3 529 B14R2.112 O=CNc1ccc2c(c1)COCC2 a0331046e24b1d4cb067f729fa3e7e3c [0,1,0,0,0,1|1,0,0]=3 530 B14R2.112 O=CNc1ccc2c(c1)OCCO2 7f5a78c70a5ccc2b8214cb7a97352aa9 [0,1,0,0,0,1|0,0,0]=2 531 B14R2.112 O=CNc1ccc2c(n1)OCCO2 62ca22fae78079e9b21df166810034e2 [0,1,0,0,0,1|1,0,0]=3 532 B14R2.112 O=CNc1cnc2c(c1)CCCO2 fb508d83c9d01e34ca29baba84793353 [0,1,0,0,0,1|2,0,0]=4 533 B14R2.112 O=CNc1cnc2c(c1)COCC2 8bb0114de62ad1bf647b017169dab6a3 [0,1,0,0,0,1|2,0,0]=4 534 B14R2.112 O=CNc1cnc2c(c1)OCCO2 1c8e71a9bd4e27f1eccbd120c520256e [0,1,0,0,0,1|1,0,0]=3 535 B14R2.112 OCNc1ccc2c(c1)OCCO2 189d9b4dbde7267622046d6fb72400f7 [0,1,0,0,0,1|0,0,2]=4 536 B14R2.808 Cc1c(cnc2c1CCO2)NC=O 57e86f7c8daca8a03c4dfe8ced205633 [0,2,0,0,0,0|2,0,0]=4 537 B14R2.966 CN(C=O)c1ccc2c(c1)CCC2 64d9e04d2af81740255e660a946a2570 [0,2,0,0,0,0|2,0,0]=4 538 B14R2.475 CN1CCc2c1cc(cc2)NC=O efbf95316da805c627cf28b348ec05c0 [0,2,0,0,0,0|2,0,0]=4 539 B14R2.475 Cc1noc2c1cc(cc2)NC=O c7686a8be47e3682291e50836bcae1ae [0,2,0,0,0,0|2,0,0]=4 540 B14R2.475 O=CNc1ccc2c(c1)C(=O)CC2 48da3f2402734134b87adcef61476ce7 [0,2,0,0,0,0|2,0,0]=4 541 B14R2.583 O=CNc1cc2c(cc1I)CCO2 3b2265649a2d1ca5ddb2fe35b788da74 [0,2,0,0,0,0|1,0,0]=3 542 B14R2.583 O=CNc1cc2ocnc2cc1Cl 67bffc8100e26b3ae953961c7a8dd157 [0,2,0,0,0,0|1,0,1]=4 543 B14R2.587 O=CNc1cc(c2c(c1)CCO2)Br 3016a9901ca5f3e82e41c68c0795b716 [0,2,0,0,0,0|1,0,0]=3 544 B14R2.991 C=CCNc1ccc2c(c1)CCO2 40cad8323e560a35aa9f7508e35050c0 [0,2,0,0,0,0|2,0,0]=4 545 B14R2.991 C=CCNc1ccc2c(c1)OCC2 aa9d0bfa47c947f3b1898f8a63c2114c [0,2,0,0,0,0|2,0,0]=4 546 B14R2.991 C=CCOc1ccc2c(c1)CCO2 704bccdca8651057322875c2b48c70ad [0,2,0,0,0,0|2,0,0]=4 547 B14R2.991 C=CCOc1ccc2c(c1)OCC2 6e370d763e7b14e77e515a23ae30aa5a [0,2,0,0,0,0|2,0,0]=4 548 B14R2.991 O=CCNc1ccc2c(c1)CCC2 a1e69c4e7407c7d1db4e6821fb0d3602 [0,2,0,0,0,0|2,0,0]=4 549 B14R2.991 O=CCNc1ccc2c(c1)CCO2 ed82039264ddc91f395ce93b4ba1d22e [0,2,0,0,0,0|1,0,0]=3 550 B14R2.991 O=CCNc1ccc2c(c1)OCC2 34f8123bfeeb035b087ef73dcb19d1cb [0,2,0,0,0,0|1,0,0]=3 551 B14R2.991 O=CCNc1ccc2c(n1)CCO2 7d1a7b3b62789a4d38e7f5d7bda83b96 [0,2,0,0,0,0|2,0,0]=4 552 B14R2.991 O=CCNc1ccc2c(n1)OCC2 8463eefafa7cf9bd51224588b8bb79c1 [0,2,0,0,0,0|2,0,0]=4 553 B14R2.991 O=CCNc1ccc2ccoc2c1 6a80bee8a7ec65c092fd7ae6e63f2165 [0,2,0,0,0,0|1,0,1]=4 554 B14R2.991 O=CCNc1ccc2cnoc2c1 15e9a65e3b354874674f86a3280707f8 [0,2,0,0,0,0|2,0,0]=4 555 B14R2.991 O=CCNc1ccc2ncoc2c1 184d551e29cce1fdf815edffdfad6bff [0,2,0,0,0,0|1,0,1]=4 556 B14R2.991 O=CCNc1ccc2occc2c1 636a2f3838627c86fecb219f936e8aec [0,2,0,0,0,0|1,0,1]=4 557 B14R2.991 O=CCNc1ccc2ocnc2c1 4efd6a7c7c96b846ca8db37455a46636 [0,2,0,0,0,0|1,0,1]=4 558 B14R2.991 O=CCNc1ccc2oncc2c1 cc127639b6eb14f396b2457c3bfdc861 [0,2,0,0,0,0|2,0,0]=4 559 B14R2.991 O=CCNc1cnc2c(c1)CCO2 f1bb5f6e2788e9921d1a62ce6990471e [0,2,0,0,0,0|2,0,0]=4 560 B14R2.991 O=CCOc1ccc2c(c1)CCC2 846d709935b140080ded4dc57375f84d [0,2,0,0,0,0|2,0,0]=4 561 B14R2.991 O=CCOc1ccc2c(c1)CCO2 e682d95d1b01711ae678fee0b263dd7b [0,2,0,0,0,0|1,0,0]=3 562 B14R2.991 O=CCOc1ccc2c(c1)OCC2 da34c69bbc8a9bf68935ccc9624c5d94 [0,2,0,0,0,0|1,0,0]=3 563 B14R2.991 O=CCOc1ccc2ccoc2c1 fe58f50d08a1f975ad9024294ded7dc8 [0,2,0,0,0,0|1,0,1]=4 564 B14R2.991 O=CCOc1ccc2cnoc2c1 ff975c30d13b063c9f092a631748f4fd [0,2,0,0,0,0|2,0,0]=4 565 B14R2.991 O=CCOc1ccc2ncoc2c1 b6974ce720d80dc43ce7a04636348600 [0,2,0,0,0,0|1,0,1]=4 566 B14R2.991 O=CCOc1ccc2occc2c1 3a77b041d19bcf5405d51b26ee65aefa [0,2,0,0,0,0|1,0,1]=4 567 B14R2.991 O=CCOc1ccc2ocnc2c1 0cd7446464763ed198132c567be0151b [0,2,0,0,0,0|1,0,1]=4 568 B14R2.991 O=CNCc1ccc2c(c1)CCC2 06f7870bac0146c8e786d362c7c10e29 [0,2,0,0,0,0|2,0,0]=4 569 B14R2.991 O=CNCc1ccc2c(c1)CCO2 b1b9dd2a3f33f958cedc90b54ad32841 [0,2,0,0,0,0|1,0,0]=3 570 B14R2.991 O=CNCc1ccc2c(c1)OCC2 0cf74af5de5ad554f9f928b9c547ce66 [0,2,0,0,0,0|1,0,0]=3 571 B14R2.991 O=CNCc1ccc2ccoc2c1 8ce54579a8f9c202b2fbab89fe4d6f8e [0,2,0,0,0,0|1,0,1]=4 572 B14R2.991 O=CNCc1ccc2occc2c1 63189eb937b95d113246babd6f8cc6ab [0,2,0,0,0,0|1,0,1]=4 573 B14R2.1008 CC(=O)Nc1ccc2c(c1)CCO2 efb1922d755e7344739b568e354f5d65 [0,2,0,0,0,0|1,0,0]=3 574 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCC2 045cf393e7395f26699c997c55d3f291 [0,2,0,0,0,0|1,0,0]=3 575 B14R2.1008 CC(=O)Nc1ccc2c(n1)OCC2 fbcb660603c4b432f178ba02158767e3 [0,2,0,0,0,0|2,0,0]=4 576 B14R2.1008 CC(=O)Nc1ccc2ccoc2c1 bb3986b5d510d535fa9f6b04a070a39a [0,2,0,0,0,0|1,0,1]=4 577 B14R2.1008 CC(=O)Nc1ccc2ncoc2c1 d4220c586f253b312ae43d3e5520cec0 [0,2,0,0,0,0|1,0,1]=4 578 B14R2.1008 CC(=O)Nc1ccc2ocnc2c1 5287575e99ddd1750dae812ae87bf083 [0,2,0,0,0,0|1,0,1]=4 579 B14R2.1008 CC(=O)Nc1ccc2oncc2c1 92c85f71f088598c583846decc092685 [0,2,0,0,0,0|2,0,0]=4 580 B14R2.1008 CC(=O)Nc1cnc2c(c1)CCO2 11562dca3b607348c4de1337c2b38a68 [0,2,0,0,0,0|2,0,0]=4 581 B14R2.6400 CC1Cc2cc(ccc2O1)NC=O 32e9e4fdba6b67cae1208e7efd762982 [0,2,0,0,0,0|1,0,0]=3 582 B14R2.6400 Cc1cc2cc(ccc2o1)NC=O ea135fcf9ce05469296ed98a1c8a3a80 [0,2,0,0,0,0|1,0,1]=4 583 B14R2.6400 Cc1nc2cc(ccc2o1)NC=O 8645f7932553e78eaac1f8cec3567c0a [0,2,0,0,0,0|1,0,1]=4 584 B14R2.6400 Cc1nc2ccc(cc2o1)NC=O 843589a32606f204633b47d7578c5f9c [0,2,0,0,0,0|1,0,1]=4 585 B14R2.6400 O=CNc1ccc2c(c1)CC(C2)O 7ab610e257ac95dde3ec0e7bd0ca5e88 [0,2,0,0,0,0|2,0,0]=4 586 B14R2.6400 O=CNc1ccc2nc(oc2c1)Cl c9374d3f5c6a8ef392f557efddd1e36a [0,2,0,0,0,0|1,0,1]=4 587 B14R2.6400 O=CNc1ccc2nc(oc2c1)S 15845ed42b746ddff696f2b3785823c1 [0,2,0,0,0,0|1,0,1]=4 588 B14R2.6400 O=CNc1ccc2oc(nc2c1)S 1ca13f0336d036b91c39254a7d7af354 [0,2,0,0,0,0|1,0,1]=4 589 B14R2.6412 O=CNc1ccc2c(c1)CCC2=O 9f7cc46be7f78cff2f8bfe03dea76e2d [0,2,0,0,0,0|2,0,0]=4 590 B10R1.96 CCOc1csc(c1)C=O 487cd3d62bad684d0c5e11d294237264 [0,0,1,0,1,0|2,0,0]=4 591 B10R1.96 O=Cc1cc(cs1)OCF 1b6f8c42bd0aa96530f649d0e1a93353 [0,0,1,0,1,0|2,0,0]=4