0 B10R1.21 BrCCNCc1ccco1 8c5e0347db7e3491c86fcbf95c4451a4 [0,0,0,0,0,0|2,1,0]=3 1 B10R1.21 BrCCNCc1cccs1 43e40805d56566d68eaea0b456027ed9 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.21 BrCCNCc1ccno1 d0ef94ba35f381890ee843c9aafbfa2c [0,0,0,0,0,0|3,1,0]=4 3 B10R1.21 BrCCNCc1ccon1 0923faacb9d941f957d91a88f348adc2 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.21 BrCCNCc1ccsc1 743deed463729b1cf9f0830f42336f0a [0,0,0,0,0,0|4,0,0]=4 5 B10R1.21 BrCCNCc1cnc[nH]1 9ee17568c88c238819d142c430037c7b [0,0,0,0,0,0|4,0,0]=4 6 B10R1.21 BrCCNCc1cnco1 10185282b0b91776fd333909a812231f [0,0,0,0,0,0|3,1,0]=4 7 B10R1.21 BrCCNCc1cocn1 e962152c889218aa18395181b8b2dd18 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.21 BrCCNCc1cscn1 0b8784bed0cb770202abacaa9d81f339 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.21 BrCCNCc1ncc[nH]1 cb160b68a5678fc41ba3a3b87f02612e [0,0,0,0,0,0|4,0,0]=4 10 B10R1.21 BrCCNCc1ncco1 cb7b4723ac24e6794a0928e76b66d36e [0,0,0,0,0,0|3,1,0]=4 11 B10R1.21 BrCCNCc1nccs1 739ce5adfbb2107019cf5bbf3bfb75ba [0,0,0,0,0,0|3,0,0]=3 12 B10R1.21 C#CCCNc1cccs1 eddb7522ab36b99ba2ce67c94ab3e605 [0,0,0,0,0,0|1,0,2]=3 13 B10R1.21 C#CCCNc1ccns1 140aff2c054f464e96d6cb01427786d0 [0,0,0,0,0,0|2,0,2]=4 14 B10R1.21 C#CCCNc1cncs1 44a7a0be1f7e865e14b61ea3af95096c [0,0,0,0,0,0|2,0,2]=4 15 B10R1.21 C#CCCNc1nccs1 c0e5044aaf4033d18007cc8b38397ea7 [0,0,0,0,0,0|2,0,2]=4 16 B10R1.21 C#CCCOc1ccco1 b5d30f180675da8f0d260f78d02e291d [0,0,0,0,0,0|1,1,2]=4 17 B10R1.21 C#CCCOc1cccs1 0ba9e57188091b4904f103c085034035 [0,0,0,0,0,0|1,0,2]=3 18 B10R1.21 C#CCCOc1nccs1 58bbd9b52f913485efa6cc51604a82d7 [0,0,0,0,0,0|2,0,2]=4 19 B10R1.21 C#CCNCc1ccc[nH]1 b3eb84b886ab24a8ef6acc43961644c1 [0,0,0,0,0,0|2,0,2]=4 20 B10R1.21 C#CCNCc1ccco1 44af6fa419671e631643a59b9fd5d2de [0,0,0,0,0,0|1,1,2]=4 21 B10R1.21 C#CCNCc1cccs1 17e235fad0f89fbc0ae4f8cee9638478 [0,0,0,0,0,0|1,0,2]=3 22 B10R1.21 C#CCNCc1ccns1 21a59dd0fb6203c4955cd9d8671e156a [0,0,0,0,0,0|2,0,2]=4 23 B10R1.21 C#CCNCc1cncs1 e9a35a8c4bce247091522e28d792111e [0,0,0,0,0,0|2,0,2]=4 24 B10R1.21 C#CCNCc1nccs1 bb4e8cde9b8354f3a5407c5f138a9b36 [0,0,0,0,0,0|2,0,2]=4 25 B10R1.21 C#CCOCc1ccc[nH]1 342011d2e700371f17478ba24b85f1dc [0,0,0,0,0,0|2,0,2]=4 26 B10R1.21 C#CCOCc1ccco1 5944738cf231c28e977cbf2d03b15b1c [0,0,0,0,0,0|1,1,2]=4 27 B10R1.21 C#CCOCc1cccs1 25f36d5e2089a7285a1767341ced407d [0,0,0,0,0,0|1,0,2]=3 28 B10R1.21 C#CCOCc1ccns1 52e1f6bb72ff821a925add351c2adca3 [0,0,0,0,0,0|2,0,2]=4 29 B10R1.21 C#CCOCc1cncs1 29ef08f70301c2fe5993e0e3d85ea6e3 [0,0,0,0,0,0|2,0,2]=4 30 B10R1.21 C#CCOCc1nccs1 d4030995a9174d2a25d8d3044c9fcf2d [0,0,0,0,0,0|2,0,2]=4 31 B10R1.21 C/C=C/CNc1cccs1 ab1bac522f2802f13389e7bc621b424e [0,0,0,0,0,0|1,0,2]=3 32 B10R1.21 C/C=C/CNc1ccns1 09c624e6e5370a58dfd94b7689624e83 [0,0,0,0,0,0|2,0,2]=4 33 B10R1.21 C/C=C/CNc1cncs1 4b6ed4d35ca3dd568c46e0d414bdecdb [0,0,0,0,0,0|2,0,2]=4 34 B10R1.21 C/C=C/CNc1nccs1 27474ac767f4210d8db7f83d01865d83 [0,0,0,0,0,0|2,0,2]=4 35 B10R1.21 C/C=C/COc1ccco1 49607601c603ccca16018edf0f4cebb7 [0,0,0,0,0,0|1,1,2]=4 36 B10R1.21 C/C=C/COc1cccs1 6c0f88620d8d632f9895acdbb7bf8cde [0,0,0,0,0,0|1,0,2]=3 37 B10R1.21 C/C=C/COc1nccs1 35781817a8dad42542fd06dd42a53cef [0,0,0,0,0,0|2,0,2]=4 38 B10R1.21 C/C=C\CNc1cccs1 539500d96ef7d01796d073eba3a04290 [0,0,0,0,0,0|1,0,2]=3 39 B10R1.21 C/C=C\CNc1ccns1 f9c2ec68f25944e47ff87200e364089f [0,0,0,0,0,0|2,0,2]=4 40 B10R1.21 C/C=C\CNc1cncs1 21034253e353c6c868225cbfca13de32 [0,0,0,0,0,0|2,0,2]=4 41 B10R1.21 C/C=C\CNc1nccs1 26254472de82ac6263eb14bded7b16fc [0,0,0,0,0,0|2,0,2]=4 42 B10R1.21 C/C=C\COc1ccco1 081cefe6a82f756391efccda3cbbafc4 [0,0,0,0,0,0|1,1,2]=4 43 B10R1.21 C/C=C\COc1cccs1 35e222574ca63276b07811b3cc3d7e9e [0,0,0,0,0,0|1,0,2]=3 44 B10R1.21 C/C=C\COc1nccs1 99fd71dc74a0dbc5f89c45f8eedf99f5 [0,0,0,0,0,0|2,0,2]=4 45 B10R1.21 C=CCCNc1ccco1 2dc99c635e0fd320f4473dac533cdebc [0,0,0,0,0,0|1,1,2]=4 46 B10R1.21 C=CCCNc1cccs1 1301257d41295bdd7d9546915267263c [0,0,0,0,0,0|1,0,2]=3 47 B10R1.21 C=CCCNc1ccns1 8679c766be5589ca4b6cd25adfc33a66 [0,0,0,0,0,0|2,0,2]=4 48 B10R1.21 C=CCCNc1cncs1 fcc43fde23d36e97709e469e88fba507 [0,0,0,0,0,0|2,0,2]=4 49 B10R1.21 C=CCCNc1nccs1 5b811767c4d4803e4aea05945701b0e8 [0,0,0,0,0,0|2,0,2]=4 50 B10R1.21 C=CCCOc1ccco1 c4a6b7713487c646ea5190de2827309c [0,0,0,0,0,0|1,1,2]=4 51 B10R1.21 C=CCCOc1cccs1 b2fe79e646c650c240c95ec3aae99dd0 [0,0,0,0,0,0|1,0,2]=3 52 B10R1.21 C=CCCOc1nccs1 d889ad916d5c188f1995dcaaad6747a6 [0,0,0,0,0,0|2,0,2]=4 53 B10R1.21 C=CCNCc1ccc[nH]1 931f997bc11f461d65711fe2c0ff25c1 [0,0,0,0,0,0|2,0,2]=4 54 B10R1.21 C=CCNCc1ccco1 9569a46dbd5a5ad2155580854b10270e [0,0,0,0,0,0|1,1,2]=4 55 B10R1.21 C=CCNCc1cccs1 8ff65b198721717afd435846cfac80e2 [0,0,0,0,0,0|1,0,2]=3 56 B10R1.21 C=CCNCc1ccns1 099b3f4e83dfe8637efa0c90375a2102 [0,0,0,0,0,0|2,0,2]=4 57 B10R1.21 C=CCNCc1cncs1 caaf39162b73cbacaa18407382e63faa [0,0,0,0,0,0|2,0,2]=4 58 B10R1.21 C=CCNCc1nccs1 8c98f8da405fe81459eddaeb08deaf3e [0,0,0,0,0,0|2,0,2]=4 59 B10R1.21 C=CCOCc1ccc[nH]1 ffe6cf4574afcacd3224839cabcff224 [0,0,0,0,0,0|2,0,2]=4 60 B10R1.21 C=CCOCc1ccco1 21d0bb8c5631652a2d6e9c845ea783ac [0,0,0,0,0,0|1,1,2]=4 61 B10R1.21 C=CCOCc1cccs1 901333cab4ee1e0e45256b54446cfe89 [0,0,0,0,0,0|1,0,2]=3 62 B10R1.21 C=CCOCc1ccns1 9455926b28485e4a1663b32d83775305 [0,0,0,0,0,0|2,0,2]=4 63 B10R1.21 C=CCOCc1cncs1 319a11961b091c056c046b6ec7a1f75d [0,0,0,0,0,0|2,0,2]=4 64 B10R1.21 C=CCOCc1nccs1 8ce088f3fd7deb142c7e1f29b525e8a2 [0,0,0,0,0,0|2,0,2]=4 65 B10R1.21 CC=CCNc1ccco1 8978ca9f1a5aa01b20c5fc0ef6bef405 [0,0,0,0,0,0|1,1,2]=4 66 B10R1.21 CC=CCNc1cccs1 73f844b5dcd117551bcb6a9fa79f218f [0,0,0,0,0,0|1,0,2]=3 67 B10R1.21 CC=CCNc1ccns1 f5f04ddcb30c8cc50e26db301f3546f4 [0,0,0,0,0,0|2,0,2]=4 68 B10R1.21 CC=CCNc1cncs1 583520a4065bf82a85b8a65c8d3ae9ba [0,0,0,0,0,0|2,0,2]=4 69 B10R1.21 CC=CCNc1nccs1 63f7da60c590fa6e0eb6d625ff100d45 [0,0,0,0,0,0|2,0,2]=4 70 B10R1.21 CCCCCN1CC=CC1 f8ff4ce1fc30a8f02a35f223b9ac83c1 [0,0,0,0,0,0|2,0,1]=3 71 B10R1.21 CCCCNC1CC=CC1 9612f2d30198d7695fe54bfa1233f08e [0,0,0,0,0,0|2,0,2]=4 72 B10R1.21 CCCCNc1c[nH]cn1 c32a5f86e55cb9897330164d8efcb9fe [0,0,0,0,0,0|3,0,0]=3 73 B10R1.21 CCCCNc1cc[nH]n1 08191c11b8fd0a9b902620d66fe69344 [0,0,0,0,0,0|3,0,0]=3 74 B10R1.21 CCCCNc1ccco1 59676670e7fa0c04d4e8b3beb240e350 [0,0,0,0,0,0|1,1,0]=2 75 B10R1.21 CCCCNc1cccs1 d0e1e22576c5f6dbd0951ff409f4ab02 [0,0,0,0,0,0|1,0,0]=1 76 B10R1.21 CCCCNc1ccno1 6ce6fff15c53db9398481797e3154d0a [0,0,0,0,0,0|2,1,0]=3 77 B10R1.21 CCCCNc1ccns1 a07df3d7bb3cf2bc4b424479532c48a1 [0,0,0,0,0,0|2,0,0]=2 78 B10R1.21 CCCCNc1ccoc1 640322940a87afc9d827bccc7d39ae5e [0,0,0,0,0,0|3,0,0]=3 79 B10R1.21 CCCCNc1ccon1 1d9d6f5bb9f6f4fb68fa3ea6f9775ccf [0,0,0,0,0,0|3,0,0]=3 80 B10R1.21 CCCCNc1ccsc1 c64d8e4067791c5f42e37c69db44e430 [0,0,0,0,0,0|3,0,0]=3 81 B10R1.21 CCCCNc1cn[nH]c1 9980fa8e9db0d8f5784bb181a0c0259e [0,0,0,0,0,0|4,0,0]=4 82 B10R1.21 CCCCNc1cncs1 4a96645b2a572926fbd6e45054b4e3f7 [0,0,0,0,0,0|2,0,0]=2 83 B10R1.21 CCCCNc1cnns1 56b7096af9eb80e4424503a16162d756 [0,0,0,0,0,0|3,0,0]=3 84 B10R1.21 CCCCNc1cnoc1 474ec08f2cd5668c618cfc570fa683ea [0,0,0,0,0,0|4,0,0]=4 85 B10R1.21 CCCCNc1cnon1 5242a73fd72e0171da98849cf678ee84 [0,0,0,0,0,0|4,0,0]=4 86 B10R1.21 CCCCNc1cnsc1 de1481a58ab3bb7aae08531da62b0b80 [0,0,0,0,0,0|4,0,0]=4 87 B10R1.21 CCCCNc1cnsn1 fc6525ea9f542f00ebe03160f6632fff [0,0,0,0,0,0|4,0,0]=4 88 B10R1.21 CCCCNc1cocn1 5e3b989a44937a5b280cf60b71051b69 [0,0,0,0,0,0|3,0,0]=3 89 B10R1.21 CCCCNc1cscn1 171f3e731934a6d1d3644c2ffd036bf0 [0,0,0,0,0,0|3,0,0]=3 90 B10R1.21 CCCCNc1nc[nH]n1 cc9df479d73dab60a41e0b2008dc9841 [0,0,0,0,0,0|4,0,0]=4 91 B10R1.21 CCCCNc1ncc[nH]1 3616ba14c142c28225de2f7de9635479 [0,0,0,0,0,0|3,0,0]=3 92 B10R1.21 CCCCNc1ncco1 2f1cff45c72424f1dd0699663acbed99 [0,0,0,0,0,0|2,1,0]=3 93 B10R1.21 CCCCNc1nccs1 12133cb9a1da0d94840ed9a3baf14a9a [0,0,0,0,0,0|2,0,0]=2 94 B10R1.21 CCCCNc1ncns1 389263cb20a81777b54da7b7929acc60 [0,0,0,0,0,0|3,0,0]=3 95 B10R1.21 CCCCNc1ncon1 a9873cfacd8cbd6e6f55c2f5bd75771a [0,0,0,0,0,0|4,0,0]=4 96 B10R1.21 CCCCNc1ncsn1 efd220ad1750f931c5970d7a54bd88e5 [0,0,0,0,0,0|4,0,0]=4 97 B10R1.21 CCCCNc1nnco1 670187d65c48cc15447592ba7fb271da [0,0,0,0,0,0|3,1,0]=4 98 B10R1.21 CCCCNc1nncs1 87b2466bf488889c0e12c7d538029e07 [0,0,0,0,0,0|3,0,0]=3 99 B10R1.21 CCCCNc1nnns1 1dc0781d9cfab07f4568ada037c78fa2 [0,0,0,0,0,0|4,0,0]=4 100 B10R1.21 CCCCOC1C=CCC1 1f0f3d5e12fa50d4f44075f6b1c06389 [0,0,0,0,0,0|2,0,2]=4 101 B10R1.21 CCCCOC1CC=CC1 3cfd0eb84a0d9ab7a0d323408ba55e24 [0,0,0,0,0,0|2,0,2]=4 102 B10R1.21 CCCCOc1c[nH]cn1 2de79fd47cbcb5ac95e2c102e85f22a4 [0,0,0,0,0,0|3,0,0]=3 103 B10R1.21 CCCCOc1ccco1 69ea1c44ba0b20cb45990b8719447407 [0,0,0,0,0,0|1,1,0]=2 104 B10R1.21 CCCCOc1cccs1 d524184ff2bb44cbc7ae5ab279df4ef4 [0,0,0,0,0,0|1,0,0]=1 105 B10R1.21 CCCCOc1ccn[nH]1 624ca312369c33edfb509f311a6b8972 [0,0,0,0,0,0|3,0,0]=3 106 B10R1.21 CCCCOc1ccsc1 770f8463a70d6c9063754e6f8e52cc5c [0,0,0,0,0,0|3,0,0]=3 107 B10R1.21 CCCCOc1cn[nH]c1 e3818ba5634dbcf5f133f82fe279db0d [0,0,0,0,0,0|4,0,0]=4 108 B10R1.21 CCCCOc1cnoc1 6a0fd273c0dcce1610f7a86307d56b4d [0,0,0,0,0,0|4,0,0]=4 109 B10R1.21 CCCCOc1cnsn1 b13c34607b9120015ad01edce513df6a [0,0,0,0,0,0|4,0,0]=4 110 B10R1.21 CCCCOc1nccs1 8ff8aac1654c33a390fc90e62ff87a97 [0,0,0,0,0,0|2,0,0]=2 111 B10R1.21 CCCCOc1nncs1 4230e96c4b5cc0c01197fc90d27ff015 [0,0,0,0,0,0|3,0,0]=3 112 B10R1.21 CCCCOn1cccn1 d11a05bd6c9f30ec63b2f2090ca17285 [0,0,0,0,0,0|3,0,0]=3 113 B10R1.21 CCCCOn1ccnc1 1d6871ba1f462335a02edbcc040a9852 [0,0,0,0,0,0|4,0,0]=4 114 B10R1.21 CCCNCC1CC=CC1 4de19405d79a1206c76de8908adfffb5 [0,0,0,0,0,0|2,0,2]=4 115 B10R1.21 CCCNCc1c[nH]nn1 c3afef618296bdd2f8e4a68fae8a4131 [0,0,0,0,0,0|4,0,0]=4 116 B10R1.21 CCCNCc1cc[nH]c1 4f9270308a7b6b414b088262dd2b2c1b [0,0,0,0,0,0|3,0,0]=3 117 B10R1.21 CCCNCc1ccc[nH]1 389a419bddfc3ec4dd8aa13cc5a47be3 [0,0,0,0,0,0|2,0,0]=2 118 B10R1.21 CCCNCc1ccco1 de6afd493c9d06f3af6e49358fd71eee [0,0,0,0,0,0|1,1,0]=2 119 B10R1.21 CCCNCc1cccs1 a6b46c4b7b3d26eb24d84a1cd913df52 [0,0,0,0,0,0|1,0,0]=1 120 B10R1.21 CCCNCc1ccn[nH]1 e1f08cf28cd911a2d6e8453949209921 [0,0,0,0,0,0|3,0,0]=3 121 B10R1.21 CCCNCc1ccno1 f5be311df91e7b627912dde86779143b [0,0,0,0,0,0|2,1,0]=3 122 B10R1.21 CCCNCc1ccns1 3e4e789e7319b5a883a84e0bfa22a0f0 [0,0,0,0,0,0|2,0,0]=2 123 B10R1.21 CCCNCc1ccoc1 77a12cc2355259eba3cfabf094f8d919 [0,0,0,0,0,0|3,0,0]=3 124 B10R1.21 CCCNCc1ccon1 b53b608ddf693d3fc343683f463fb7fb [0,0,0,0,0,0|3,0,0]=3 125 B10R1.21 CCCNCc1ccsc1 66232677ec2023d5a802635b8a1a6d73 [0,0,0,0,0,0|3,0,0]=3 126 B10R1.21 CCCNCc1ccsn1 8449b0fcfb1c96bf13985551d7845e24 [0,0,0,0,0,0|3,0,0]=3 127 B10R1.21 CCCNCc1cn[nH]c1 9be69bf3e617fe1744907985c17ab135 [0,0,0,0,0,0|4,0,0]=4 128 B10R1.21 CCCNCc1cnc[nH]1 60b3cb313d5ecfd3e621a7a5c6c3d86c [0,0,0,0,0,0|3,0,0]=3 129 B10R1.21 CCCNCc1cnco1 1b5514d0e1b9a006b09cdecb0e0b1d25 [0,0,0,0,0,0|2,1,0]=3 130 B10R1.21 CCCNCc1cncs1 7dbbaedca623ee435b1934f7c0edf9ce [0,0,0,0,0,0|2,0,0]=2 131 B10R1.21 CCCNCc1cnoc1 963df51a2c52fd8246246a64fb287d32 [0,0,0,0,0,0|4,0,0]=4 132 B10R1.21 CCCNCc1cnsc1 b8aa11169d47bcdb024914ba3647677e [0,0,0,0,0,0|4,0,0]=4 133 B10R1.21 CCCNCc1cocn1 bcb4047e77ac4a450a61a0c44cb5b21f [0,0,0,0,0,0|3,0,0]=3 134 B10R1.21 CCCNCc1cscn1 261683b974dfe16c7986317d90f5ec65 [0,0,0,0,0,0|3,0,0]=3 135 B10R1.21 CCCNCc1ncc[nH]1 29bc1bf59da096efc5a106235204e2a9 [0,0,0,0,0,0|3,0,0]=3 136 B10R1.21 CCCNCc1ncco1 1bbc962d75b7819f240f6938a75188ec [0,0,0,0,0,0|2,1,0]=3 137 B10R1.21 CCCNCc1nccs1 0ef62e82a5f00529171e41c62f4b4e6d [0,0,0,0,0,0|2,0,0]=2 138 B10R1.21 CCCNCc1ncn[nH]1 7cbf6d6d7da64d30ab1ae79fb7982c58 [0,0,0,0,0,0|4,0,0]=4 139 B10R1.21 CCCNCc1ncon1 6e9c8d4e404dbc5902f47667c7bf2712 [0,0,0,0,0,0|4,0,0]=4 140 B10R1.21 CCCNCc1nnco1 c53d2800892b994382d9643da0042d7e [0,0,0,0,0,0|3,1,0]=4 141 B10R1.21 CCCNCn1cncn1 a7b1ad87fab29f2b3a78e4cef000553b [0,0,0,0,0,0|4,0,0]=4 142 B10R1.21 CCCNCn1nccn1 41b59dfea503168093ab9fbc21888f83 [0,0,0,0,0,0|4,0,0]=4 143 B10R1.21 CCCOCC1C=CCC1 432e0f58c9f3ac15b57d888692e1e4d2 [0,0,0,0,0,0|2,0,2]=4 144 B10R1.21 CCCOCC1CC=CC1 d4af8ece61f0419093b3fa0b65f7da57 [0,0,0,0,0,0|2,0,2]=4 145 B10R1.21 CCCOCc1cc[nH]c1 1c6e3834cbfb57fddc05135d2d1d0cc0 [0,0,0,0,0,0|3,0,0]=3 146 B10R1.21 CCCOCc1ccc[nH]1 cd7c6439400e4582d3103a4de108225f [0,0,0,0,0,0|2,0,0]=2 147 B10R1.21 CCCOCc1ccco1 68fddc7fa2e66c072844daffb93c2167 [0,0,0,0,0,0|1,1,0]=2 148 B10R1.21 CCCOCc1cccs1 a6f03adf2a826c0d56d546cb620a5207 [0,0,0,0,0,0|1,0,0]=1 149 B10R1.21 CCCOCc1ccn[nH]1 b5d2f82f81054d8d387d12ac66b15e99 [0,0,0,0,0,0|3,0,0]=3 150 B10R1.21 CCCOCc1ccno1 870c1a0078df086a024012effc01a45b [0,0,0,0,0,0|2,1,0]=3 151 B10R1.21 CCCOCc1ccns1 157bfd3a7196eebeb4ab9daef95bdac7 [0,0,0,0,0,0|2,0,0]=2 152 B10R1.21 CCCOCc1ccoc1 350ab1ab3ec612f4eb7fb879044afc2a [0,0,0,0,0,0|3,0,0]=3 153 B10R1.21 CCCOCc1ccon1 0508f50b820a2ac57642da204033d6af [0,0,0,0,0,0|3,0,0]=3 154 B10R1.21 CCCOCc1ccsc1 c1bc026f3b06598ff523439403fe1fe6 [0,0,0,0,0,0|3,0,0]=3 155 B10R1.21 CCCOCc1ccsn1 8da3d834e265b89cf409f0864056e910 [0,0,0,0,0,0|3,0,0]=3 156 B10R1.21 CCCOCc1cn[nH]c1 b55ce79aa361ff8f0417aad2fed9d5dd [0,0,0,0,0,0|4,0,0]=4 157 B10R1.21 CCCOCc1cnc[nH]1 ddc0a3ec6c004ccb97273631b19f7042 [0,0,0,0,0,0|3,0,0]=3 158 B10R1.21 CCCOCc1cnco1 9d46dd82e2c335d0dac1e9a70ff331b6 [0,0,0,0,0,0|2,1,0]=3 159 B10R1.21 CCCOCc1cnn[nH]1 f883ba2cfc2b003682da8b391b64317d [0,0,0,0,0,0|4,0,0]=4 160 B10R1.21 CCCOCc1cnoc1 13b3b6fb4f7bd579698ee3e4721f7f7a [0,0,0,0,0,0|4,0,0]=4 161 B10R1.21 CCCOCc1cnsc1 61dc3358dd8e7e8f5f3a86c7961707a6 [0,0,0,0,0,0|4,0,0]=4 162 B10R1.21 CCCOCc1cnsn1 b6c5e27ca7eda34d00cbc7d96bb79433 [0,0,0,0,0,0|4,0,0]=4 163 B10R1.21 CCCOCc1cocn1 0f71bb305c19415a7537676a4224728c [0,0,0,0,0,0|3,0,0]=3 164 B10R1.21 CCCOCc1cscn1 ea802f07371a6193ed62a14232668b20 [0,0,0,0,0,0|3,0,0]=3 165 B10R1.21 CCCOCc1csnn1 273a67faddfcf47b57e9d3c6e41a0bc5 [0,0,0,0,0,0|4,0,0]=4 166 B10R1.21 CCCOCc1nc[nH]n1 00e368b8033054f5a22f8ab40e686341 [0,0,0,0,0,0|4,0,0]=4 167 B10R1.21 CCCOCc1ncc[nH]1 4081ea8f4b95c044a5f35fe6d11581c8 [0,0,0,0,0,0|3,0,0]=3 168 B10R1.21 CCCOCc1ncco1 71ad9c831053756f6e2d91b3d3cccbb9 [0,0,0,0,0,0|2,1,0]=3 169 B10R1.21 CCCOCc1nccs1 e8288e9d9343ecc898d267fc4191d27a [0,0,0,0,0,0|2,0,0]=2 170 B10R1.21 CCCOCc1ncno1 31a68b29768baf8fba73325c80d62c9a [0,0,0,0,0,0|3,1,0]=4 171 B10R1.21 CCCOCc1ncns1 a007a701741a704f3f826a595574fabe [0,0,0,0,0,0|3,0,0]=3 172 B10R1.21 CCCOCc1ncon1 61d8bf2514a2dbb05978119ab20883bc [0,0,0,0,0,0|4,0,0]=4 173 B10R1.21 CCCOCc1nnco1 e8c7540ba9028b6097564ba158e15c33 [0,0,0,0,0,0|3,1,0]=4 174 B10R1.21 CCCOCn1cccn1 4d821c1d60f9d9d5e30cebd78f621d9d [0,0,0,0,0,0|3,0,0]=3 175 B10R1.21 CCCOCn1ccnc1 95f7e2cf55cc4382e88a26902bb7a774 [0,0,0,0,0,0|4,0,0]=4 176 B10R1.21 CCCOCn1cncn1 ad6dffae7e3588acbe42855869ed8ae8 [0,0,0,0,0,0|4,0,0]=4 177 B10R1.21 CCCOCn1nccn1 8c7229ca11f54b3a58fefafdb5033327 [0,0,0,0,0,0|4,0,0]=4 178 B10R1.21 CCNCCc1c[nH]cn1 5d8976b386787bb539681dc4bbe582eb [0,0,0,0,0,0|3,0,0]=3 179 B10R1.21 CCNCCc1cc[nH]n1 19a12fba6307d4d49877f9d3ba8b08dd [0,0,0,0,0,0|3,0,0]=3 180 B10R1.21 CCNCCc1ccc[nH]1 8213ac8e4b9d94b1198a75f34bf94d78 [0,0,0,0,0,0|2,0,0]=2 181 B10R1.21 CCNCCc1ccco1 1ad917faeddbc2d8d316341d3d41b62a [0,0,0,0,0,0|1,1,0]=2 182 B10R1.21 CCNCCc1cccs1 f1bb449dfb857924f62fa7b623b4a581 [0,0,0,0,0,0|1,0,0]=1 183 B10R1.21 CCNCCc1ccsc1 2ea71ee3ba82753ba2a28e730c57ed02 [0,0,0,0,0,0|3,0,0]=3 184 B10R1.21 CCNCCc1cn[nH]c1 33b8602a59775cffdef08b48cc6c7bc1 [0,0,0,0,0,0|4,0,0]=4 185 B10R1.21 CCNCCc1cnn[nH]1 8b2539ab13ef95cf811deb8b88fa9414 [0,0,0,0,0,0|4,0,0]=4 186 B10R1.21 CCNCCc1cnoc1 e6be2d5f7b9b433d01736a031aae2856 [0,0,0,0,0,0|4,0,0]=4 187 B10R1.21 CCNCCc1cscn1 c90d7abebf31b4546037db2893fb081b [0,0,0,0,0,0|3,0,0]=3 188 B10R1.21 CCNCCc1ncc[nH]1 10739b1151014cf40521e7f6f68f5f08 [0,0,0,0,0,0|3,0,0]=3 189 B10R1.21 CCNCCc1nccs1 ff3ceb5e0153da3ae8a88aa515d57d9f [0,0,0,0,0,0|2,0,0]=2 190 B10R1.21 CCNCCc1nncs1 46fd909be39042449bdd58f4109e3885 [0,0,0,0,0,0|3,0,0]=3 191 B10R1.21 CCNCCn1cccc1 d2c2451b9536ba91b7a45cd25defb648 [0,0,0,0,0,0|3,0,0]=3 192 B10R1.21 CCNCCn1cccn1 58fbe0f55d79423be74c4217047e7a9d [0,0,0,0,0,0|3,0,0]=3 193 B10R1.21 CCNCCn1ccnc1 9feed643afaab7c5e89bc13ec1c96875 [0,0,0,0,0,0|4,0,0]=4 194 B10R1.21 CCNCCn1ccnn1 2943b6ee58c97f9b44d18df460a5611c [0,0,0,0,0,0|4,0,0]=4 195 B10R1.21 CCNCCn1cncn1 3fdfb18b2dd2a2c5f52dbd1951066ea7 [0,0,0,0,0,0|4,0,0]=4 196 B10R1.21 CCOCCN1CC=CC1 a4d9c00ed8e9f6833b05c1652b788618 [0,0,0,0,0,0|3,0,1]=4 197 B10R1.21 CCOCCc1c[nH]cn1 aedba343b36eaee1c14567760ebbcea9 [0,0,0,0,0,0|3,0,0]=3 198 B10R1.21 CCOCCc1cc[nH]n1 04018fbda8bfe185685a5f55a4225098 [0,0,0,0,0,0|3,0,0]=3 199 B10R1.21 CCOCCc1ccc[nH]1 8ef61c623e3daff29562378e78c2e3e6 [0,0,0,0,0,0|2,0,0]=2 200 B10R1.21 CCOCCc1ccco1 bed872e177b1646746b6cb5e6f761166 [0,0,0,0,0,0|1,1,0]=2 201 B10R1.21 CCOCCc1cccs1 acaaec43fbd0c8ea9b4724789b403b3c [0,0,0,0,0,0|1,0,0]=1 202 B10R1.21 CCOCCc1ccoc1 036407c3a22d5cc5d73147c1dce3e7e4 [0,0,0,0,0,0|3,0,0]=3 203 B10R1.21 CCOCCc1ccon1 7d935ca9b30187c624e295d7a3bd3830 [0,0,0,0,0,0|3,0,0]=3 204 B10R1.21 CCOCCc1ccsc1 ca4812c0bdd5d5c44828e294c88d13c1 [0,0,0,0,0,0|3,0,0]=3 205 B10R1.21 CCOCCc1cn[nH]c1 887aad48ae6d6990ae2fc264df22acd3 [0,0,0,0,0,0|4,0,0]=4 206 B10R1.21 CCOCCc1cnoc1 74b82d537593da2024e97b84d80d8fb7 [0,0,0,0,0,0|4,0,0]=4 207 B10R1.21 CCOCCc1cscn1 1cd5c95d3af30f19b925f6c604b09676 [0,0,0,0,0,0|3,0,0]=3 208 B10R1.21 CCOCCc1ncc[nH]1 86ab996304566281ad18cdeb99647a8f [0,0,0,0,0,0|3,0,0]=3 209 B10R1.21 CCOCCc1nccs1 90e0ee1837f8d21c5ec390dafb9ef905 [0,0,0,0,0,0|2,0,0]=2 210 B10R1.21 CCOCCc1ncon1 6760b5ae9fe551b9e727d09f8c40fca0 [0,0,0,0,0,0|4,0,0]=4 211 B10R1.21 CCOCCn1cccc1 b8b6f334754cac390d35c493d0f942fe [0,0,0,0,0,0|3,0,0]=3 212 B10R1.21 CCOCCn1cccn1 8ba965522a54437e6ed1cca019b603d2 [0,0,0,0,0,0|3,0,0]=3 213 B10R1.21 CCOCCn1ccnc1 70f935f79cf2dd9c6b1fc42b80178e58 [0,0,0,0,0,0|4,0,0]=4 214 B10R1.21 CCOCCn1ccnn1 23e2130cfa9ed88b5fe07356a20dd416 [0,0,0,0,0,0|4,0,0]=4 215 B10R1.21 CCOCCn1cncn1 b25160fe7114ce51bebe1798318a5508 [0,0,0,0,0,0|4,0,0]=4 216 B10R1.21 CCOCCn1nccn1 fad6dd6b56ef8abfc48495db6118bb14 [0,0,0,0,0,0|4,0,0]=4 217 B10R1.21 CCOCNc1cc[nH]n1 fd0e8838611e9c80ca772c95fec7e66a [0,0,0,0,0,0|4,0,0]=4 218 B10R1.21 CCOCNc1cccs1 fdc9729af7149ad96898b9c1e1995195 [0,0,0,0,0,0|2,0,0]=2 219 B10R1.21 CCOCNc1ccno1 529b44871c8dfd34bf68b0175f50e619 [0,0,0,0,0,0|3,1,0]=4 220 B10R1.21 CCOCNc1ccns1 97cbcb228bcda62eea2ec153a6e07103 [0,0,0,0,0,0|3,0,0]=3 221 B10R1.21 CCOCNc1ccsc1 b26cc038bdb1c3e6592d9ff0bb4cc274 [0,0,0,0,0,0|4,0,0]=4 222 B10R1.21 CCOCNc1cscn1 339bf65de5d890d2a2d219a929e3aabc [0,0,0,0,0,0|4,0,0]=4 223 B10R1.21 CCOCNc1ncc[nH]1 198968ac86dac0044424d6f220a0ea28 [0,0,0,0,0,0|4,0,0]=4 224 B10R1.21 CCOCNc1ncco1 250f1feeca8dbd10b67fead60ad657bd [0,0,0,0,0,0|3,1,0]=4 225 B10R1.21 CCOCNc1nccs1 05bc369ffafa4ca27b9bb6ea52d855c9 [0,0,0,0,0,0|3,0,0]=3 226 B10R1.21 CCOCOc1c[nH]cn1 77a5a056bda1a382071b8f7d9843f3ed [0,0,0,0,0,0|4,0,0]=4 227 B10R1.21 CCOCOc1ccco1 50027f11f0ebc3bb1d65662891127453 [0,0,0,0,0,0|2,1,0]=3 228 B10R1.21 CCOCOc1cccs1 f1905e8f0a82ed892bc2c970faf9dff2 [0,0,0,0,0,0|2,0,0]=2 229 B10R1.21 CCOCOc1ccn[nH]1 1c30f6dccab8835f84380d3d135eee1b [0,0,0,0,0,0|4,0,0]=4 230 B10R1.21 CCOCOc1ccsc1 5f5c6ca2bf7fd5ada01a82ef0afd3e4b [0,0,0,0,0,0|4,0,0]=4 231 B10R1.21 CCOCOc1nccs1 c238b52bf71f44ba06f7605a85433907 [0,0,0,0,0,0|3,0,0]=3 232 B10R1.21 CCOCOn1cccn1 2e112f575cc6b3f59dff340b7b146eac [0,0,0,0,0,0|4,0,0]=4 233 B10R1.21 CCSCCN1CC=CC1 eed3901ffd9e56f93dee8e85df33a6e9 [0,0,0,0,0,0|3,0,1]=4 234 B10R1.21 COCCCN1CC=CC1 c09d9228c6ca0d7065482855745538cc [0,0,0,0,0,0|3,0,1]=4 235 B10R1.21 COCCNc1c[nH]cn1 31b5e19647757b8c8ff224c51156209f [0,0,0,0,0,0|4,0,0]=4 236 B10R1.21 COCCNc1cc[nH]n1 8e13804df54af8b968ee26c161d84f41 [0,0,0,0,0,0|4,0,0]=4 237 B10R1.21 COCCNc1ccco1 6446037fd2435f1d5d632a2ea17e6335 [0,0,0,0,0,0|2,1,0]=3 238 B10R1.21 COCCNc1cccs1 4679346317f357faed462ffad2613f4e [0,0,0,0,0,0|2,0,0]=2 239 B10R1.21 COCCNc1ccno1 adedf48200497bd8ece47a916d2f6e29 [0,0,0,0,0,0|3,1,0]=4 240 B10R1.21 COCCNc1ccns1 8f48bedaeef7f2b7f3f76028628ad821 [0,0,0,0,0,0|3,0,0]=3 241 B10R1.21 COCCNc1ccoc1 9d6bf01177d31be17a28caf95f550025 [0,0,0,0,0,0|4,0,0]=4 242 B10R1.21 COCCNc1ccon1 6954b7496643468f7475703d0e035c89 [0,0,0,0,0,0|4,0,0]=4 243 B10R1.21 COCCNc1ccsc1 fa12ac19f0680dbd0ab3feff8ede4d6f [0,0,0,0,0,0|4,0,0]=4 244 B10R1.21 COCCNc1ccsn1 8f2a607444523eea96d2a2964919bd0a [0,0,0,0,0,0|4,0,0]=4 245 B10R1.21 COCCNc1cncs1 89cfbce3ba957eb0c5c8c888455c1a24 [0,0,0,0,0,0|3,0,0]=3 246 B10R1.21 COCCNc1cnns1 065b8edcc7fad7791ba55fbc0dd2f62a [0,0,0,0,0,0|4,0,0]=4 247 B10R1.21 COCCNc1cocn1 158584353c7c2800e7a7976ae871024d [0,0,0,0,0,0|4,0,0]=4 248 B10R1.21 COCCNc1cscn1 b6ebb9a88d2989f940228f51d24df076 [0,0,0,0,0,0|4,0,0]=4 249 B10R1.21 COCCNc1ncc[nH]1 e38f19dcac7f98aeb7cbe943254f0b87 [0,0,0,0,0,0|4,0,0]=4 250 B10R1.21 COCCNc1ncco1 27ef3b5cdb6ddb84737afcdb0a8564a1 [0,0,0,0,0,0|3,1,0]=4 251 B10R1.21 COCCNc1nccs1 999a710edbc3e1b4131c6168cf4aff5d [0,0,0,0,0,0|3,0,0]=3 252 B10R1.21 COCCNc1ncns1 d24dad9be177d231adb315d13affbb47 [0,0,0,0,0,0|4,0,0]=4 253 B10R1.21 COCCNc1nncs1 ec347ea39e9d331aabc8d3ac19a75a03 [0,0,0,0,0,0|4,0,0]=4 254 B10R1.21 COCCOc1c[nH]cn1 c22d372def312a114ce12682b28da196 [0,0,0,0,0,0|4,0,0]=4 255 B10R1.21 COCCOc1ccco1 7edab0eeb45cb66520c905082a1511e1 [0,0,0,0,0,0|2,1,0]=3 256 B10R1.21 COCCOc1cccs1 376aff47162023b820da889700ce60b2 [0,0,0,0,0,0|2,0,0]=2 257 B10R1.21 COCCOc1ccn[nH]1 36b86c8cb1fcaa39f8e91bc5dc2dd764 [0,0,0,0,0,0|4,0,0]=4 258 B10R1.21 COCCOc1ccsc1 e986a4921184eaf2e88bed3033e7fa91 [0,0,0,0,0,0|4,0,0]=4 259 B10R1.21 COCCOc1nccs1 d38e4915d887bda4d8f4cc1d19b8b69f [0,0,0,0,0,0|3,0,0]=3 260 B10R1.21 COCCOc1nncs1 7ab38d3e6878c4c8b08e496f5ed3adbd [0,0,0,0,0,0|4,0,0]=4 261 B10R1.21 COCCOn1cccn1 ed5cda64fbb03049c23386a66a575e0e [0,0,0,0,0,0|4,0,0]=4 262 B10R1.21 COCNCc1cc[nH]c1 76f00173f5381901b807ffc69f5b23d6 [0,0,0,0,0,0|4,0,0]=4 263 B10R1.21 COCNCc1ccc[nH]1 beb90f93b0b4d35af75c15067af5f89f [0,0,0,0,0,0|3,0,0]=3 264 B10R1.21 COCNCc1ccco1 ab0a134b649505be2ef4a9f4f282a23e [0,0,0,0,0,0|2,1,0]=3 265 B10R1.21 COCNCc1cccs1 75615c372e8efa80d8b79813eacfd51c [0,0,0,0,0,0|2,0,0]=2 266 B10R1.21 COCNCc1ccn[nH]1 784351bf77eb65c3e998889280b5e72e [0,0,0,0,0,0|4,0,0]=4 267 B10R1.21 COCNCc1ccno1 15ef8536fda72fd586a760f6b4c8c70d [0,0,0,0,0,0|3,1,0]=4 268 B10R1.21 COCNCc1ccns1 c93aecfe0d58260c29b387663a42f8a8 [0,0,0,0,0,0|3,0,0]=3 269 B10R1.21 COCNCc1ccoc1 b9bee659116f1fbfd5e48ad504ac6d3a [0,0,0,0,0,0|4,0,0]=4 270 B10R1.21 COCNCc1ccon1 7b0726b8ae30de78aa3eea0e48368e4c [0,0,0,0,0,0|4,0,0]=4 271 B10R1.21 COCNCc1ccsc1 11890153644e1e909af9b7b2120aad7a [0,0,0,0,0,0|4,0,0]=4 272 B10R1.21 COCNCc1ccsn1 1e48a25f8b06fdc976ba945245ed35bb [0,0,0,0,0,0|4,0,0]=4 273 B10R1.21 COCNCc1cnco1 0f6f0c3ae363e9893583c8f12ea2cd44 [0,0,0,0,0,0|3,1,0]=4 274 B10R1.21 COCNCc1cncs1 ed996eb366b53547b37ae8d6853aa6f0 [0,0,0,0,0,0|3,0,0]=3 275 B10R1.21 COCNCc1cocn1 aa5fb02551dc1d5f7f2a72b8a48bb34b [0,0,0,0,0,0|4,0,0]=4 276 B10R1.21 COCNCc1cscn1 bce10801c73dd019748f545bb927f17c [0,0,0,0,0,0|4,0,0]=4 277 B10R1.21 COCNCc1ncc[nH]1 d722755837fa30e284eb449f205d4537 [0,0,0,0,0,0|4,0,0]=4 278 B10R1.21 COCNCc1ncco1 d043a8b15ac8e8808dfe091199c948fd [0,0,0,0,0,0|3,1,0]=4 279 B10R1.21 COCNCc1nccs1 202e41462156ac4af84eb15825fa488f [0,0,0,0,0,0|3,0,0]=3 280 B10R1.21 COCOCc1cc[nH]c1 5e7354b1e989aa7eb0bc5dc13f8b4885 [0,0,0,0,0,0|4,0,0]=4 281 B10R1.21 COCOCc1ccc[nH]1 8602fb3b96d0845f62a61e91c638d526 [0,0,0,0,0,0|3,0,0]=3 282 B10R1.21 COCOCc1ccco1 529eee71e246af8b856ae502514aa81f [0,0,0,0,0,0|2,1,0]=3 283 B10R1.21 COCOCc1cccs1 8035084dd952e2619b91998ee1e10055 [0,0,0,0,0,0|2,0,0]=2 284 B10R1.21 COCOCc1ccn[nH]1 784ed237dbb5016d2f5a689a6f4b1d52 [0,0,0,0,0,0|4,0,0]=4 285 B10R1.21 COCOCc1ccno1 ff01a1e4f50dfacf1f2eb0f4413c32ac [0,0,0,0,0,0|3,1,0]=4 286 B10R1.21 COCOCc1ccns1 fae7870140bca99c12770471a4e4b7c1 [0,0,0,0,0,0|3,0,0]=3 287 B10R1.21 COCOCc1ccon1 ff29b1b8d89737fcd8a95436983cc6a5 [0,0,0,0,0,0|4,0,0]=4 288 B10R1.21 COCOCc1ccsc1 4290534bcd79846327c3dde1810f4ca1 [0,0,0,0,0,0|4,0,0]=4 289 B10R1.21 COCOCc1ccsn1 b2c63e603f9b324825cbfc1176c52408 [0,0,0,0,0,0|4,0,0]=4 290 B10R1.21 COCOCc1cnc[nH]1 f88cd0b210075c480ba31c5a01c8e53b [0,0,0,0,0,0|4,0,0]=4 291 B10R1.21 COCOCc1cnco1 c11598e267d02c4916b65bfc27609cc0 [0,0,0,0,0,0|3,1,0]=4 292 B10R1.21 COCOCc1cncs1 4a7506a69d88fbb7a4b9224239c77616 [0,0,0,0,0,0|3,0,0]=3 293 B10R1.21 COCOCc1cocn1 bedb62e7056b6565bcb94d39499d9e5e [0,0,0,0,0,0|4,0,0]=4 294 B10R1.21 COCOCc1cscn1 102dc771e3273d6b14435080bb9699d5 [0,0,0,0,0,0|4,0,0]=4 295 B10R1.21 COCOCc1ncc[nH]1 004647102510bf1bf740a135b7848ae8 [0,0,0,0,0,0|4,0,0]=4 296 B10R1.21 COCOCc1ncco1 17bdc640c34efccfe1e90b9530eec152 [0,0,0,0,0,0|3,1,0]=4 297 B10R1.21 COCOCc1nccs1 bdcb85494f3e12978e2f5f2474f894bb [0,0,0,0,0,0|3,0,0]=3 298 B10R1.21 COCOCc1ncns1 34e3a634b5168fc5d45b06025092f360 [0,0,0,0,0,0|4,0,0]=4 299 B10R1.21 COCOCn1cccn1 e459438f3f7b93503eb426c5cea0a1f4 [0,0,0,0,0,0|4,0,0]=4 300 B10R1.21 CSCCCN1CC=CC1 5bcc539cb01a9154d100141923827ace [0,0,0,0,0,0|3,0,1]=4 301 B10R1.21 CSCCNc1c[nH]cn1 137b35293b0dc85bb31d2e32ee40a86e [0,0,0,0,0,0|4,0,0]=4 302 B10R1.21 CSCCNc1cc[nH]n1 07979e79fed44fbdc495303e5ac54ca8 [0,0,0,0,0,0|4,0,0]=4 303 B10R1.21 CSCCNc1ccco1 16997d2db32ec42d1356855cff785f3f [0,0,0,0,0,0|2,1,0]=3 304 B10R1.21 CSCCNc1cccs1 01d49ac6e99e11e56f4bd6fc081c9e5f [0,0,0,0,0,0|2,0,0]=2 305 B10R1.21 CSCCNc1ccno1 b1c7208426eeceedc2a03beed8da02a3 [0,0,0,0,0,0|3,1,0]=4 306 B10R1.21 CSCCNc1ccns1 c8894a803aa83f357f0ae7d950c26813 [0,0,0,0,0,0|3,0,0]=3 307 B10R1.21 CSCCNc1ccoc1 1d0567434f0a48bd98518f53a448361e [0,0,0,0,0,0|4,0,0]=4 308 B10R1.21 CSCCNc1ccon1 b42f16e3bc83348df538bbf682b3a77d [0,0,0,0,0,0|4,0,0]=4 309 B10R1.21 CSCCNc1ccsc1 f6c2dced6fbf754bcf5769e0ac76907b [0,0,0,0,0,0|4,0,0]=4 310 B10R1.21 CSCCNc1cncs1 a5563c1cef91afec5550c839def8c3ad [0,0,0,0,0,0|3,0,0]=3 311 B10R1.21 CSCCNc1cnns1 7ae39b1fb338d56d3aaab182adc12600 [0,0,0,0,0,0|4,0,0]=4 312 B10R1.21 CSCCNc1cocn1 b3453c494b24e5be45fdb2fe35bec017 [0,0,0,0,0,0|4,0,0]=4 313 B10R1.21 CSCCNc1cscn1 bd8d18512a72c7948e2c03063ef81eee [0,0,0,0,0,0|4,0,0]=4 314 B10R1.21 CSCCNc1ncc[nH]1 8e325de0c8c6761662fe5104b8c6cd40 [0,0,0,0,0,0|4,0,0]=4 315 B10R1.21 CSCCNc1ncco1 8311037a857d62fbb40e2a92bfa36330 [0,0,0,0,0,0|3,1,0]=4 316 B10R1.21 CSCCNc1nccs1 2daeff1a7635250a3e42d4dd01686512 [0,0,0,0,0,0|3,0,0]=3 317 B10R1.21 CSCCNc1ncns1 60858b098a060342da1cbc046cc9d6f7 [0,0,0,0,0,0|4,0,0]=4 318 B10R1.21 CSCCNc1nncs1 3b68b878645c6ad13e258623924f814a [0,0,0,0,0,0|4,0,0]=4 319 B10R1.21 CSCCOc1c[nH]cn1 562e0b23ec0786e0fd18550873f0babf [0,0,0,0,0,0|4,0,0]=4 320 B10R1.21 CSCCOc1ccco1 5259ce914bbcf53da4292d4e69a6b1eb [0,0,0,0,0,0|2,1,0]=3 321 B10R1.21 CSCCOc1cccs1 7150bd7e2c4ada0071b0350ef4644150 [0,0,0,0,0,0|2,0,0]=2 322 B10R1.21 CSCCOc1ccn[nH]1 c2da133be74361e0d3638b871bf6ce29 [0,0,0,0,0,0|4,0,0]=4 323 B10R1.21 CSCCOc1ccsc1 24a4d86ca0141910d86531f8039bc371 [0,0,0,0,0,0|4,0,0]=4 324 B10R1.21 CSCCOc1nccs1 cc7a7f6d66d1b43656817f4736f0ab30 [0,0,0,0,0,0|3,0,0]=3 325 B10R1.21 CSCCOc1nncs1 f5d7ec386487549c8d460344855ee9cf [0,0,0,0,0,0|4,0,0]=4 326 B10R1.21 CSCCOn1cccn1 0876b2802a51221ce46857a22bb0a6c2 [0,0,0,0,0,0|4,0,0]=4 327 B10R1.21 CSCNCc1cc[nH]c1 47ed8cd436f09b3013d91e46e1b150cc [0,0,0,0,0,0|4,0,0]=4 328 B10R1.21 CSCNCc1ccc[nH]1 fd07486fc4e4526a8ba8b2968c8e0c70 [0,0,0,0,0,0|3,0,0]=3 329 B10R1.21 CSCNCc1ccco1 45b3d80d16b3c23ee837399e5f9cf973 [0,0,0,0,0,0|2,1,0]=3 330 B10R1.21 CSCNCc1cccs1 19102dc4b21db64523b39a937d0f0fcd [0,0,0,0,0,0|2,0,0]=2 331 B10R1.21 CSCNCc1ccn[nH]1 5b88461a3d4d1c10745abee310df6090 [0,0,0,0,0,0|4,0,0]=4 332 B10R1.21 CSCNCc1ccno1 b145d7f77e69f26c5226ed1ab903da2e [0,0,0,0,0,0|3,1,0]=4 333 B10R1.21 CSCNCc1ccns1 834fc21d802e76b735084619c579030f [0,0,0,0,0,0|3,0,0]=3 334 B10R1.21 CSCNCc1ccoc1 9ad7cde6fc8060ab0463b8cc53c45142 [0,0,0,0,0,0|4,0,0]=4 335 B10R1.21 CSCNCc1ccon1 1e01abf3644882325c1d315c695c74c8 [0,0,0,0,0,0|4,0,0]=4 336 B10R1.21 CSCNCc1ccsc1 5227019be6bbd0bbbe6fefc9148901c2 [0,0,0,0,0,0|4,0,0]=4 337 B10R1.21 CSCNCc1ccsn1 b51c5b3e96eaf45a94bec82116a84396 [0,0,0,0,0,0|4,0,0]=4 338 B10R1.21 CSCNCc1cnco1 718d40295b9c5ba7e40f786d6ce87a7a [0,0,0,0,0,0|3,1,0]=4 339 B10R1.21 CSCNCc1cncs1 8db0ddb876f75551ba2bcf8c3f4eed2f [0,0,0,0,0,0|3,0,0]=3 340 B10R1.21 CSCNCc1cscn1 5259ffe6124310b92ee1aba846e77b47 [0,0,0,0,0,0|4,0,0]=4 341 B10R1.21 CSCNCc1ncc[nH]1 40c91e5de4eeb94581fc1408816eaf68 [0,0,0,0,0,0|4,0,0]=4 342 B10R1.21 CSCNCc1ncco1 4798ea10b7d60481da1dae57164d3c95 [0,0,0,0,0,0|3,1,0]=4 343 B10R1.21 CSCNCc1nccs1 61a6ed90706090a40a3f7ad28c43b182 [0,0,0,0,0,0|3,0,0]=3 344 B10R1.21 CSCOCc1cc[nH]c1 facfbd7c215ee7ff3015eef21b64acad [0,0,0,0,0,0|4,0,0]=4 345 B10R1.21 CSCOCc1ccc[nH]1 227018605e900994ca4503decc33cb19 [0,0,0,0,0,0|3,0,0]=3 346 B10R1.21 CSCOCc1ccco1 d82d2c3aff1c65cd9f5801d7e0281663 [0,0,0,0,0,0|2,1,0]=3 347 B10R1.21 CSCOCc1cccs1 3cff4a60d95ea1637015dd5821e001bd [0,0,0,0,0,0|2,0,0]=2 348 B10R1.21 CSCOCc1ccn[nH]1 d29415dcd9b3197c506ec5687a5ba70f [0,0,0,0,0,0|4,0,0]=4 349 B10R1.21 CSCOCc1ccno1 df28b76a5605dd2e2e9c9583c86775eb [0,0,0,0,0,0|3,1,0]=4 350 B10R1.21 CSCOCc1ccns1 5d1e224ec87ca015197e7ed128e16eb4 [0,0,0,0,0,0|3,0,0]=3 351 B10R1.21 CSCOCc1ccoc1 ba96e166b002fa1da107846027ed2a16 [0,0,0,0,0,0|4,0,0]=4 352 B10R1.21 CSCOCc1ccon1 1bfe899a804c0f8a80fe1a74afdd3ef5 [0,0,0,0,0,0|4,0,0]=4 353 B10R1.21 CSCOCc1ccsc1 be2d4b9bddf1d383f22e5bca6b2f8053 [0,0,0,0,0,0|4,0,0]=4 354 B10R1.21 CSCOCc1ccsn1 42906ad1c89f99a1a9986ff6dd00de56 [0,0,0,0,0,0|4,0,0]=4 355 B10R1.21 CSCOCc1cnc[nH]1 809a1c89c56bb0dad68674efea542e3a [0,0,0,0,0,0|4,0,0]=4 356 B10R1.21 CSCOCc1cnco1 7db2db0ff683405c7e81c02a0619ae5b [0,0,0,0,0,0|3,1,0]=4 357 B10R1.21 CSCOCc1cocn1 11ac8b5f3bf326c20db7d22284c19ab1 [0,0,0,0,0,0|4,0,0]=4 358 B10R1.21 CSCOCc1cscn1 28843dfb70f4f0c2d3d34584c2cb29e8 [0,0,0,0,0,0|4,0,0]=4 359 B10R1.21 CSCOCc1ncc[nH]1 3ce72e4000606ffaa325548b15ce1797 [0,0,0,0,0,0|4,0,0]=4 360 B10R1.21 CSCOCc1ncco1 ef5ebceba7bbc1aea597ff0fe4b673ab [0,0,0,0,0,0|3,1,0]=4 361 B10R1.21 CSCOCc1nccs1 f3cea1e7960229421db53c34b57f585e [0,0,0,0,0,0|3,0,0]=3 362 B10R1.21 CSCOCc1ncns1 b211700dec5e5492c681da4ce8191915 [0,0,0,0,0,0|4,0,0]=4 363 B10R1.21 CSCOCn1cccn1 492cc4b5f71468aed4acee891d0632cc [0,0,0,0,0,0|4,0,0]=4 364 B10R1.21 Cl/C=C/CNc1cccs1 efe1d2f7dcfe3918fe3de9785282f8d6 [0,0,0,0,0,0|2,0,2]=4 365 B10R1.21 Cl/C=C/COc1cccs1 3830e1f3abfd27deb2de15a99838c505 [0,0,0,0,0,0|2,0,2]=4 366 B10R1.21 Cl/C=C\CNc1cccs1 24906778734c1eb13925b780b0c5c8e2 [0,0,0,0,0,0|2,0,2]=4 367 B10R1.21 Cl/C=C\COc1cccs1 d3dbc2d63df4f06b20bfd7561a8956e2 [0,0,0,0,0,0|2,0,2]=4 368 B10R1.21 ClCCCNc1c[nH]cn1 bb0220a317ead0c6592b3f7582bc8a4e [0,0,0,0,0,0|4,0,0]=4 369 B10R1.21 ClCCCNc1cc[nH]n1 3f92b18cad1476af962261eb75b8e597 [0,0,0,0,0,0|4,0,0]=4 370 B10R1.21 ClCCCNc1ccco1 a6f130c8c0731f6a37b1f6ee951076be [0,0,0,0,0,0|2,1,0]=3 371 B10R1.21 ClCCCNc1cccs1 fbce81ff25a9f7a9cf998778e28fb8cd [0,0,0,0,0,0|2,0,0]=2 372 B10R1.21 ClCCCNc1ccns1 91300d7e26e51c35af37e2bfca581719 [0,0,0,0,0,0|3,0,0]=3 373 B10R1.21 ClCCCNc1ccoc1 45cbe26bd89149fd3b41290c34621bb6 [0,0,0,0,0,0|4,0,0]=4 374 B10R1.21 ClCCCNc1ccon1 739ce2e3a3c406a8c80a15b12585adb0 [0,0,0,0,0,0|4,0,0]=4 375 B10R1.21 ClCCCNc1ccsc1 3f2b42cb684b6ab2d182bb19953e2d11 [0,0,0,0,0,0|4,0,0]=4 376 B10R1.21 ClCCCNc1ccsn1 a684b4353b73da697821658d89a10f3e [0,0,0,0,0,0|4,0,0]=4 377 B10R1.21 ClCCCNc1cncs1 6259dae8f1a464cf7057f85f8fd0842a [0,0,0,0,0,0|3,0,0]=3 378 B10R1.21 ClCCCNc1cocn1 a2273b8ac52c13303da3a93d9896945c [0,0,0,0,0,0|4,0,0]=4 379 B10R1.21 ClCCCNc1ncco1 4017e4f58a0e4152e4ac61177c419a8f [0,0,0,0,0,0|3,1,0]=4 380 B10R1.21 ClCCCNc1nccs1 e83cede187625d1430c7d79ffea45020 [0,0,0,0,0,0|3,0,0]=3 381 B10R1.21 ClCCCNc1ncns1 f13aeaf9b8d80fa94f3f55054926cc6e [0,0,0,0,0,0|4,0,0]=4 382 B10R1.21 FCCCCN1CC=CC1 d239feef49cbbdd3e9ba3195a914cc29 [0,0,0,0,0,0|3,0,1]=4 383 B10R1.21 FCCCNc1cc[nH]n1 69801cc105ca05935de724bcb4ff1354 [0,0,0,0,0,0|4,0,0]=4 384 B10R1.21 FCCCNc1cccs1 31ac9134e6d62b97401471d4ea45a70d [0,0,0,0,0,0|2,0,0]=2 385 B10R1.21 FCCCNc1ccno1 eb42f09138b283fba82dfacba41558ac [0,0,0,0,0,0|3,1,0]=4 386 B10R1.21 FCCCNc1ccns1 ac19b1fc786bae58f49388d394de427a [0,0,0,0,0,0|3,0,0]=3 387 B10R1.21 FCCCNc1ccon1 5636118c954be25d3c3aa5e5b64e214d [0,0,0,0,0,0|4,0,0]=4 388 B10R1.21 FCCCNc1ccsc1 3ee6cbb1cf3abdca53f0740d296c57c4 [0,0,0,0,0,0|4,0,0]=4 389 B10R1.21 FCCCNc1cncs1 6a71183b131a5fc7d3c43af0591957ab [0,0,0,0,0,0|3,0,0]=3 390 B10R1.21 FCCCNc1cnns1 3a54dc56a158f5d44a4fc4d041ac613f [0,0,0,0,0,0|4,0,0]=4 391 B10R1.21 FCCCNc1cocn1 79a75d2104a1f8166f40edc82f333ab6 [0,0,0,0,0,0|4,0,0]=4 392 B10R1.21 FCCCNc1cscn1 e56e2ef2f5b2d668626dae8135004bf4 [0,0,0,0,0,0|4,0,0]=4 393 B10R1.21 FCCCNc1ncc[nH]1 e4659d43593386233d5363471b5f7a86 [0,0,0,0,0,0|4,0,0]=4 394 B10R1.21 FCCCNc1ncco1 9e3bd4cf48e7c0fa13708268fb89b2cb [0,0,0,0,0,0|3,1,0]=4 395 B10R1.21 FCCCNc1nccs1 26c810bb5491fdad7ee74e1ad30be718 [0,0,0,0,0,0|3,0,0]=3 396 B10R1.21 FCCCNc1ncns1 d641d66c231e5353929009c00a92703e [0,0,0,0,0,0|4,0,0]=4 397 B10R1.21 FCCCNc1nncs1 104527dafe024800352b831bbf502bbc [0,0,0,0,0,0|4,0,0]=4 398 B10R1.21 FCCCOc1c[nH]cn1 052363ddff55bdbd33b34583095bb26d [0,0,0,0,0,0|4,0,0]=4 399 B10R1.21 FCCCOc1ccco1 51fe91774b9f4c69189217cc23692685 [0,0,0,0,0,0|2,1,0]=3 400 B10R1.21 FCCCOc1cccs1 8b580ea4e86b76b5b7438bc561b77a9d [0,0,0,0,0,0|2,0,0]=2 401 B10R1.21 FCCCOc1ccn[nH]1 99bc25860a7b667f709a7134ec6b0e18 [0,0,0,0,0,0|4,0,0]=4 402 B10R1.21 FCCCOc1ccsc1 438c40c40c45bfa196d08c79e52af258 [0,0,0,0,0,0|4,0,0]=4 403 B10R1.21 FCCCOc1nccs1 ff55bffc03ac42d25fbeed858a207a29 [0,0,0,0,0,0|3,0,0]=3 404 B10R1.21 FCCCOc1nncs1 ad24103b6b1919a39f0e241c12f590c2 [0,0,0,0,0,0|4,0,0]=4 405 B10R1.21 FCCCOn1cccn1 60bda47c80f3ea6cd83c778254f478f2 [0,0,0,0,0,0|4,0,0]=4 406 B10R1.21 FCCNCc1cc[nH]c1 12b03c5bf60ed345aad949b52a3627a9 [0,0,0,0,0,0|4,0,0]=4 407 B10R1.21 FCCNCc1ccc[nH]1 fe349d4505b9ed5370e7b07649f649bf [0,0,0,0,0,0|3,0,0]=3 408 B10R1.21 FCCNCc1ccco1 eb7e2df8659dc52d8124585605ffbbe6 [0,0,0,0,0,0|2,1,0]=3 409 B10R1.21 FCCNCc1cccs1 64161443947eeac79824d623f6441f8e [0,0,0,0,0,0|2,0,0]=2 410 B10R1.21 FCCNCc1ccn[nH]1 e2b5c2b203fa6e08f1d6d362c5f86909 [0,0,0,0,0,0|4,0,0]=4 411 B10R1.21 FCCNCc1ccno1 17329fb00249819fd456a69095ce0695 [0,0,0,0,0,0|3,1,0]=4 412 B10R1.21 FCCNCc1ccns1 d70ff5f6fda229f9666a0d3ec1f6cc6c [0,0,0,0,0,0|3,0,0]=3 413 B10R1.21 FCCNCc1ccoc1 88527084bc9c645453ef6e2c7422530b [0,0,0,0,0,0|4,0,0]=4 414 B10R1.21 FCCNCc1ccon1 fc634b0f9bf2d1641ff28fd8d1d71e64 [0,0,0,0,0,0|4,0,0]=4 415 B10R1.21 FCCNCc1ccsc1 b3ab66b91af8c34ea5a2cd9a10019f7f [0,0,0,0,0,0|4,0,0]=4 416 B10R1.21 FCCNCc1ccsn1 b5798f7af3fd47e3b598b2c59bd5bf26 [0,0,0,0,0,0|4,0,0]=4 417 B10R1.21 FCCNCc1cnc[nH]1 045960d9c7fe6d21d4178de3b105817a [0,0,0,0,0,0|4,0,0]=4 418 B10R1.21 FCCNCc1cnco1 8294129d30f3b3ec3965d6755ee01576 [0,0,0,0,0,0|3,1,0]=4 419 B10R1.21 FCCNCc1cncs1 f29cf25a3847b379a2efe2c9e887c663 [0,0,0,0,0,0|3,0,0]=3 420 B10R1.21 FCCNCc1cocn1 1ae2b729c397e392d39061ce321a3c1c [0,0,0,0,0,0|4,0,0]=4 421 B10R1.21 FCCNCc1cscn1 c66bcfc2ca583d97d49cbb2454b74a60 [0,0,0,0,0,0|4,0,0]=4 422 B10R1.21 FCCNCc1ncc[nH]1 bfe245c91d940b9e7f32f35aa4ff243e [0,0,0,0,0,0|4,0,0]=4 423 B10R1.21 FCCNCc1ncco1 a98d2e0ff29f8eaaf13d0f18d782e213 [0,0,0,0,0,0|3,1,0]=4 424 B10R1.21 FCCNCc1nccs1 e6fca3e484f39625a719bbdf50d11013 [0,0,0,0,0,0|3,0,0]=3 425 B10R1.21 FCCOCc1cc[nH]c1 0b33f8207834ef515f28cd4042eb5f0d [0,0,0,0,0,0|4,0,0]=4 426 B10R1.21 FCCOCc1ccc[nH]1 ae4bdf41a693ab4b17eedd9a1b3e71bd [0,0,0,0,0,0|3,0,0]=3 427 B10R1.21 FCCOCc1ccco1 967242227467dd8667ea4ec0e6be7d8a [0,0,0,0,0,0|2,1,0]=3 428 B10R1.21 FCCOCc1cccs1 89e5f151596724dfb35cbde55e473498 [0,0,0,0,0,0|2,0,0]=2 429 B10R1.21 FCCOCc1ccn[nH]1 796e6185a8d100cc7727bbec77256d2d [0,0,0,0,0,0|4,0,0]=4 430 B10R1.21 FCCOCc1ccno1 7aeca3bf619803091648308b17afb171 [0,0,0,0,0,0|3,1,0]=4 431 B10R1.21 FCCOCc1ccns1 88db24794d192f5194ddf71c9e6e3900 [0,0,0,0,0,0|3,0,0]=3 432 B10R1.21 FCCOCc1ccoc1 10bfd977f72341b62d2bfca992e3d43b [0,0,0,0,0,0|4,0,0]=4 433 B10R1.21 FCCOCc1ccon1 2d4a47ec33b145c9cc07ee36a08219c9 [0,0,0,0,0,0|4,0,0]=4 434 B10R1.21 FCCOCc1ccsc1 5cdc15980f6632241d058e32b9b99b5d [0,0,0,0,0,0|4,0,0]=4 435 B10R1.21 FCCOCc1ccsn1 2a94a1d0ec75789da754802be65e63d2 [0,0,0,0,0,0|4,0,0]=4 436 B10R1.21 FCCOCc1cnc[nH]1 20de447cace6b15c97afa192e8336cc4 [0,0,0,0,0,0|4,0,0]=4 437 B10R1.21 FCCOCc1cnco1 f154df94fcccf40835580120af5630af [0,0,0,0,0,0|3,1,0]=4 438 B10R1.21 FCCOCc1cncs1 7cd06d922867009c9238b1b2100ffb5f [0,0,0,0,0,0|3,0,0]=3 439 B10R1.21 FCCOCc1cocn1 a97d97ea7da01f1bee83be5b592ad06b [0,0,0,0,0,0|4,0,0]=4 440 B10R1.21 FCCOCc1cscn1 cc12f9a070d8109da840e1f42abdda42 [0,0,0,0,0,0|4,0,0]=4 441 B10R1.21 FCCOCc1ncc[nH]1 201f5e36b0f7c22a3d1fd70e66ce737e [0,0,0,0,0,0|4,0,0]=4 442 B10R1.21 FCCOCc1ncco1 d6ca61277cdf8d6c1646c155d3d4d654 [0,0,0,0,0,0|3,1,0]=4 443 B10R1.21 FCCOCc1nccs1 d4a9104f949413d9e76a19be706a4de9 [0,0,0,0,0,0|3,0,0]=3 444 B10R1.21 FCCOCc1ncns1 fe181a7ad7157fb3e032d5b5265c846c [0,0,0,0,0,0|4,0,0]=4 445 B10R1.21 FCCOCn1cccn1 15ea5fce9733b117a726203882b2c391 [0,0,0,0,0,0|4,0,0]=4 446 B10R1.21 FCNCCc1c[nH]cn1 5494221e6ff8321957b1f00f7d3f58ac [0,0,0,0,0,0|4,0,0]=4 447 B10R1.21 FCNCCc1cc[nH]n1 453a6a5d5e3345520c87478f6d3db7c8 [0,0,0,0,0,0|4,0,0]=4 448 B10R1.21 FCNCCc1ccc[nH]1 7f781d01a7bc67bc21d7d7beac4484f1 [0,0,0,0,0,0|3,0,0]=3 449 B10R1.21 FCNCCc1ccco1 c274e2fe40f74a5250d921378d833f9d [0,0,0,0,0,0|2,1,0]=3 450 B10R1.21 FCNCCc1cccs1 88ba79d1c29808d8d8edddbef80e3f02 [0,0,0,0,0,0|2,0,0]=2 451 B10R1.21 FCNCCc1ccsc1 078e8a1eb650ec980524b1574dc15e3e [0,0,0,0,0,0|4,0,0]=4 452 B10R1.21 FCNCCc1cscn1 741620d8532723c36d5ed8157030c1f6 [0,0,0,0,0,0|4,0,0]=4 453 B10R1.21 FCNCCc1ncc[nH]1 731b184345b66c7aff4fef9aa16fc25f [0,0,0,0,0,0|4,0,0]=4 454 B10R1.21 FCNCCc1nccs1 84784a75c9b9ac0b6352c44b865e33bd [0,0,0,0,0,0|3,0,0]=3 455 B10R1.21 FCNCCc1nncs1 cae30999270a3566127aa56acf20e2d3 [0,0,0,0,0,0|4,0,0]=4 456 B10R1.21 FCNCCn1cccc1 402f5d0de25cd5256b0ed7e4d9cf69c0 [0,0,0,0,0,0|4,0,0]=4 457 B10R1.21 FCNCCn1cccn1 1bd6ce84a011535d89a89a23cefc937f [0,0,0,0,0,0|4,0,0]=4 458 B10R1.21 FCOCCc1c[nH]cn1 4d549ea41c918a10f0105a3f3b12fe92 [0,0,0,0,0,0|4,0,0]=4 459 B10R1.21 FCOCCc1cc[nH]n1 5039ce57e9c2b7193db2734a96d0f629 [0,0,0,0,0,0|4,0,0]=4 460 B10R1.21 FCOCCc1ccc[nH]1 c9539e478ac1399bce062501fc9ca424 [0,0,0,0,0,0|3,0,0]=3 461 B10R1.21 FCOCCc1ccco1 b932bcc9cfe884b19a450cd3b0242ac1 [0,0,0,0,0,0|2,1,0]=3 462 B10R1.21 FCOCCc1cccs1 3cabc60798d0a799d77c6a3a1fd267e4 [0,0,0,0,0,0|2,0,0]=2 463 B10R1.21 FCOCCc1ccoc1 e77eab8c1d929f532887b6d2fc60e6b0 [0,0,0,0,0,0|4,0,0]=4 464 B10R1.21 FCOCCc1ccon1 aa3ae114f28661c31ccce8105f15fa76 [0,0,0,0,0,0|4,0,0]=4 465 B10R1.21 FCOCCc1ccsc1 a19a3727c3d02698fba58a803ae6170e [0,0,0,0,0,0|4,0,0]=4 466 B10R1.21 FCOCCc1cscn1 d4aea58e5a3232319d47219f66e6635e [0,0,0,0,0,0|4,0,0]=4 467 B10R1.21 FCOCCc1ncc[nH]1 ac062c52e912017f57f4bd334a92ab0a [0,0,0,0,0,0|4,0,0]=4 468 B10R1.21 FCOCCc1nccs1 452774d96f8ecb2923fc4dbeaad1871b [0,0,0,0,0,0|3,0,0]=3 469 B10R1.21 FCOCCn1cccc1 53b19cefaea779d5126b463e4453f16e [0,0,0,0,0,0|4,0,0]=4 470 B10R1.21 FCOCCn1cccn1 2b37a8f1c45d34eb3e86a21498b6c553 [0,0,0,0,0,0|4,0,0]=4 471 B10R1.21 ICCNCc1ccco1 bd983b5b71179f97af0b655fa1b40bbd [0,0,0,0,0,0|2,1,0]=3 472 B10R1.21 ICCNCc1cccs1 0562d9fcb39a15007547660ec9667d57 [0,0,0,0,0,0|2,0,0]=2 473 B10R1.21 ICCNCc1ccno1 8cb7047f983588c8e29ac1de43c98d2e [0,0,0,0,0,0|3,1,0]=4 474 B10R1.21 ICCNCc1ccon1 c195e9bf126ee8bfbd8b739510f16d04 [0,0,0,0,0,0|4,0,0]=4 475 B10R1.21 ICCNCc1ccsc1 479253904987ab74bf54c81f40b73b2f [0,0,0,0,0,0|4,0,0]=4 476 B10R1.21 ICCNCc1cnc[nH]1 2e5f7b4267b59aecd330e10b489ca988 [0,0,0,0,0,0|4,0,0]=4 477 B10R1.21 ICCNCc1cnco1 46020b7bdbd6aa83a5b06b74af896d58 [0,0,0,0,0,0|3,1,0]=4 478 B10R1.21 ICCNCc1cocn1 adb800905037ac709f13b2fac8430141 [0,0,0,0,0,0|4,0,0]=4 479 B10R1.21 ICCNCc1cscn1 cb0cc06b28354bb4d6c6193f71524cb7 [0,0,0,0,0,0|4,0,0]=4 480 B10R1.21 ICCNCc1ncc[nH]1 1d6ed99291a87221158928fe659558e0 [0,0,0,0,0,0|4,0,0]=4 481 B10R1.21 ICCNCc1ncco1 9d3055b7896b60e9b7a5d925d5a560b6 [0,0,0,0,0,0|3,1,0]=4 482 B10R1.21 ICCNCc1nccs1 4a895850b77212c0d69890dc411d0fe9 [0,0,0,0,0,0|3,0,0]=3 483 B10R1.21 N#CCCNc1cccs1 c73ad092cdf59b78319218b793fdd945 [0,0,0,0,0,0|2,0,1]=3 484 B10R1.21 N#CCCNc1ccns1 76087a20f180a4f0a5a130ac4646e8c7 [0,0,0,0,0,0|3,0,1]=4 485 B10R1.21 N#CCCNc1cncs1 73eb42d9cab989f5f8195abe883c2ffd [0,0,0,0,0,0|3,0,1]=4 486 B10R1.21 N#CCCNc1nccs1 00f004ef26a77dd787b1cb28561b3e26 [0,0,0,0,0,0|3,0,1]=4 487 B10R1.21 N#CCCOc1ccco1 8ce5c34beea847e702c4d0fddf65978a [0,0,0,0,0,0|2,1,1]=4 488 B10R1.21 N#CCCOc1cccs1 35ca39d13866d1f0ac7da24afee667d4 [0,0,0,0,0,0|2,0,1]=3 489 B10R1.21 N#CCCOc1nccs1 350ac186229331b863d1203ef099b647 [0,0,0,0,0,0|3,0,1]=4 490 B10R1.21 N#CCNCc1ccc[nH]1 b11eca2cd71cf72cd433eaa6a1df5ac9 [0,0,0,0,0,0|3,0,1]=4 491 B10R1.21 N#CCNCc1ccco1 fec584262b4d0a132944bf2c8f44ac1e [0,0,0,0,0,0|2,1,1]=4 492 B10R1.21 N#CCNCc1cccs1 f489aa16992650f6885d5e088950ac21 [0,0,0,0,0,0|2,0,1]=3 493 B10R1.21 N#CCNCc1ccns1 546550b1e09353d6fff8191ee03bb798 [0,0,0,0,0,0|3,0,1]=4 494 B10R1.21 N#CCNCc1cncs1 502138498fd84831da810fa309a97b9f [0,0,0,0,0,0|3,0,1]=4 495 B10R1.21 N#CCNCc1nccs1 4c75555ef9326ba4ef41f01e4f7683a9 [0,0,0,0,0,0|3,0,1]=4 496 B10R1.21 N#CCOCc1ccc[nH]1 e4c5e152b5b4a3d4297937b6d8294a70 [0,0,0,0,0,0|3,0,1]=4 497 B10R1.21 N#CCOCc1ccco1 dea65f4f4bafd731280ce3cf86ce28bd [0,0,0,0,0,0|2,1,1]=4 498 B10R1.21 N#CCOCc1cccs1 45a7b32e7dd1a8ec15d6f65d68cc88ff [0,0,0,0,0,0|2,0,1]=3 499 B10R1.21 N#CCOCc1ccns1 bcea51f0bdfe8d27a468583e368fe897 [0,0,0,0,0,0|3,0,1]=4 500 B10R1.21 N#CCOCc1cncs1 b1525c1d8e78e93b53973964ca91e634 [0,0,0,0,0,0|3,0,1]=4 501 B10R1.21 N#CCOCc1nccs1 5cc161a6760490d2937d4f794da3272e [0,0,0,0,0,0|3,0,1]=4 502 B10R1.21 N#CNCCc1cccs1 03c538aed0eea0ecbc05a45eaf3e2167 [0,0,0,0,0,0|2,0,1]=3 503 B10R1.21 NOCCNc1ccco1 982512c5e2d50fb1ae411cdaf4bf2093 [0,0,0,0,0,0|3,1,0]=4 504 B10R1.21 NOCCNc1cccs1 69e4d1de354c8d522c3eb86313f8e589 [0,0,0,0,0,0|3,0,0]=3 505 B10R1.21 NOCCNc1ccns1 3dc442e3cee8a165be054fd5ddfab98a [0,0,0,0,0,0|4,0,0]=4 506 B10R1.21 NOCCNc1cncs1 47394a40ff0a72cfb81f2c6f491cf58a [0,0,0,0,0,0|4,0,0]=4 507 B10R1.21 NOCCNc1nccs1 e06681ab5cd80a550ba8cdf80a8ab48e [0,0,0,0,0,0|4,0,0]=4 508 B10R1.21 O/C=C\CNc1cccs1 4950d52a683e52fb0875f17a49eb0e8d [0,0,0,0,0,0|2,0,2]=4 509 B10R1.21 O=CCCNc1cccs1 cf723f42f768b24ec42d1757ae280dc8 [0,0,0,0,0,0|2,0,1]=3 510 B10R1.21 O=CCCNc1ccns1 e64147914042bdb6aeb65df2ecdbe76b [0,0,0,0,0,0|3,0,1]=4 511 B10R1.21 O=CCCNc1cncs1 a293c81ee2b37a78d5c415c0fa2b626f [0,0,0,0,0,0|3,0,1]=4 512 B10R1.21 O=CCCNc1nccs1 bf2c684eb13b8829edbeec735d588825 [0,0,0,0,0,0|3,0,1]=4 513 B10R1.21 O=CCCOc1ccco1 29d0eddc230514e8e3bb8cacc9923f78 [0,0,0,0,0,0|2,1,1]=4 514 B10R1.21 O=CCCOc1cccs1 3c97730eeb94cffc869f74e9b437863e [0,0,0,0,0,0|2,0,1]=3 515 B10R1.21 O=CCCOc1nccs1 190eae07ba3014a115b4439e0b99aeab [0,0,0,0,0,0|3,0,1]=4 516 B10R1.21 O=CCNCc1ccc[nH]1 639a18cc5e97b07de5adf524490bad82 [0,0,0,0,0,0|3,0,1]=4 517 B10R1.21 O=CCNCc1ccco1 0ab8a1ebd15283db8f5f3f17ac902f12 [0,0,0,0,0,0|2,1,1]=4 518 B10R1.21 O=CCNCc1cccs1 e94becbb6eb95ee69efd16aa47a4093c [0,0,0,0,0,0|2,0,1]=3 519 B10R1.21 O=CCNCc1ccns1 06a080362276b57be7dfc6026d576b51 [0,0,0,0,0,0|3,0,1]=4 520 B10R1.21 O=CCNCc1cncs1 e532b4c9b3414cb2d13ca7cf1e02efd7 [0,0,0,0,0,0|3,0,1]=4 521 B10R1.21 O=CCNCc1nccs1 c236042baeede1f50f70d2e7d78d875c [0,0,0,0,0,0|3,0,1]=4 522 B10R1.21 O=CCOCc1ccc[nH]1 97ffcf32763fc9745266acd768ec8a83 [0,0,0,0,0,0|3,0,1]=4 523 B10R1.21 O=CCOCc1ccco1 22e3ccbc249d54fc00073a07f33cc6b4 [0,0,0,0,0,0|2,1,1]=4 524 B10R1.21 O=CCOCc1cccs1 f2a935b74a2608083c2a4099d7794c24 [0,0,0,0,0,0|2,0,1]=3 525 B10R1.21 O=CCOCc1ccns1 23738c52312c278c1c5c85f57fb0534f [0,0,0,0,0,0|3,0,1]=4 526 B10R1.21 O=CCOCc1cncs1 4008b9560147db35610e6a95ebd04fcc [0,0,0,0,0,0|3,0,1]=4 527 B10R1.21 O=CCOCc1nccs1 0eb380228acca2ace6bcbf77afa7ea6e [0,0,0,0,0,0|3,0,1]=4 528 B10R1.21 O=CNCCc1ccco1 0b737060dc1ee55a5f0568ed4921621c [0,0,0,0,0,0|2,1,1]=4 529 B10R1.21 O=CNCCc1cccs1 fd1222ac3d0e2b6ccbfd32e31af9a8d7 [0,0,0,0,0,0|2,0,1]=3 530 B10R1.21 O=CNCCc1nccs1 a3ee9ddc95123af1d2954f4589596163 [0,0,0,0,0,0|3,0,1]=4 531 B10R1.21 OCCCCN1CC=CC1 e28090bdc1d8f7ea9587051fbe576704 [0,0,0,0,0,0|3,0,1]=4 532 B10R1.21 OCCCNc1c[nH]cn1 2de53448b514834c1715e8bdec519e9c [0,0,0,0,0,0|4,0,0]=4 533 B10R1.21 OCCCNc1cc[nH]n1 665e79f0200627856c921cf1756ca0c6 [0,0,0,0,0,0|4,0,0]=4 534 B10R1.21 OCCCNc1ccco1 4d624025932b70b0c8be48d0b7350012 [0,0,0,0,0,0|2,1,0]=3 535 B10R1.21 OCCCNc1cccs1 55eef094d687f19b3a4b8d33bdca1f77 [0,0,0,0,0,0|2,0,0]=2 536 B10R1.21 OCCCNc1ccno1 635acccfbfa77aa72ef18cbdba2e4a73 [0,0,0,0,0,0|3,1,0]=4 537 B10R1.21 OCCCNc1ccns1 2abba91217211665393dd7c873308219 [0,0,0,0,0,0|3,0,0]=3 538 B10R1.21 OCCCNc1ccoc1 a2c22332826702b9812fcc31344f26aa [0,0,0,0,0,0|4,0,0]=4 539 B10R1.21 OCCCNc1ccon1 a2336d2dfac82db6e6440c8656828024 [0,0,0,0,0,0|4,0,0]=4 540 B10R1.21 OCCCNc1ccsc1 e22178c1525770ab4ddf46226ba46d05 [0,0,0,0,0,0|4,0,0]=4 541 B10R1.21 OCCCNc1ccsn1 b9fe66ef925d6ce96d94b099d68ecf8e [0,0,0,0,0,0|4,0,0]=4 542 B10R1.21 OCCCNc1cncs1 f4f472e56ee02593abe12f394f374375 [0,0,0,0,0,0|3,0,0]=3 543 B10R1.21 OCCCNc1cnns1 73fb2113023fe82ac165e8bc9ec8b1e3 [0,0,0,0,0,0|4,0,0]=4 544 B10R1.21 OCCCNc1cocn1 66631e4f38136054e36eacbc38421a1b [0,0,0,0,0,0|4,0,0]=4 545 B10R1.21 OCCCNc1cscn1 55aa9c9e9d91d92306ed9d031c8b037d [0,0,0,0,0,0|4,0,0]=4 546 B10R1.21 OCCCNc1ncc[nH]1 9150591d7491467e9d32b7dc244fa38c [0,0,0,0,0,0|4,0,0]=4 547 B10R1.21 OCCCNc1ncco1 9df59432fe5a095679b4136a055b46e3 [0,0,0,0,0,0|3,1,0]=4 548 B10R1.21 OCCCNc1nccs1 18202e8ee8fe60275cf2bd7f986c8c5b [0,0,0,0,0,0|3,0,0]=3 549 B10R1.21 OCCCNc1ncns1 84a067ea1d9f6760b3c91acd3103a69c [0,0,0,0,0,0|4,0,0]=4 550 B10R1.21 OCCCNc1nncs1 f4d88a7f2b08f773f78e284784ae2b93 [0,0,0,0,0,0|4,0,0]=4 551 B10R1.21 OCCNCc1cc[nH]c1 1974eebb7f947b66ca2a4964cdd9e9e8 [0,0,0,0,0,0|4,0,0]=4 552 B10R1.21 OCCNCc1ccc[nH]1 70b9ba075cfc1760e2d08e9e1fd27a85 [0,0,0,0,0,0|3,0,0]=3 553 B10R1.21 OCCNCc1ccco1 507ba03e75d5eda37d046de9368bba24 [0,0,0,0,0,0|2,1,0]=3 554 B10R1.21 OCCNCc1cccs1 20c6d4950b663f50a5c3f4e3a3001297 [0,0,0,0,0,0|2,0,0]=2 555 B10R1.21 OCCNCc1ccn[nH]1 4c13940dc53c607482e0f659789d5783 [0,0,0,0,0,0|4,0,0]=4 556 B10R1.21 OCCNCc1ccno1 b763edfde848a777eb1e851ff547f816 [0,0,0,0,0,0|3,1,0]=4 557 B10R1.21 OCCNCc1ccns1 4037cab63795a3fc95ea4eca51814b3f [0,0,0,0,0,0|3,0,0]=3 558 B10R1.21 OCCNCc1ccoc1 e28b91217cb847e46f31456c51055291 [0,0,0,0,0,0|4,0,0]=4 559 B10R1.21 OCCNCc1ccon1 9f93ff3f4983f30c45a8acb003b86684 [0,0,0,0,0,0|4,0,0]=4 560 B10R1.21 OCCNCc1ccsc1 10fb8a848ce67b96a4bb082e495feac9 [0,0,0,0,0,0|4,0,0]=4 561 B10R1.21 OCCNCc1ccsn1 8cb2daf464b89475dabd09832c4e0843 [0,0,0,0,0,0|4,0,0]=4 562 B10R1.21 OCCNCc1cnc[nH]1 4e9396b899fcc879376d6ea4bf4857e9 [0,0,0,0,0,0|4,0,0]=4 563 B10R1.21 OCCNCc1cnco1 0dc7afd65143ae42236bcacef72c8123 [0,0,0,0,0,0|3,1,0]=4 564 B10R1.21 OCCNCc1cncs1 2db29d636ee167bbcdb39caaddcb1300 [0,0,0,0,0,0|3,0,0]=3 565 B10R1.21 OCCNCc1cocn1 e359c236e63f935d4f4f6e8bf59c1865 [0,0,0,0,0,0|4,0,0]=4 566 B10R1.21 OCCNCc1cscn1 d5fedcd4e1a219b8cbe9c9c0b9c2431e [0,0,0,0,0,0|4,0,0]=4 567 B10R1.21 OCCNCc1ncc[nH]1 3ad422f58a046bcb24d6d97263e48222 [0,0,0,0,0,0|4,0,0]=4 568 B10R1.21 OCCNCc1ncco1 e41d8f3bc0f8aecb72d6dd5103b1cd95 [0,0,0,0,0,0|3,1,0]=4 569 B10R1.21 OCCNCc1nccs1 2be3ac7fbaee6940b3aebf32c1c64444 [0,0,0,0,0,0|3,0,0]=3 570 B10R1.21 OCNCCc1c[nH]cn1 c090f5b8a873a83e934d30ddd4325ed3 [0,0,0,0,0,0|4,0,0]=4 571 B10R1.21 OCNCCc1cc[nH]n1 69f0c8468b4707dd5a9636a32ff7d32e [0,0,0,0,0,0|4,0,0]=4 572 B10R1.21 OCNCCc1ccc[nH]1 e1c3eae46650a92ca10d84d6e4068368 [0,0,0,0,0,0|3,0,0]=3 573 B10R1.21 OCNCCc1ccco1 a517e208412caca7f657ad953f1e4b62 [0,0,0,0,0,0|2,1,0]=3 574 B10R1.21 OCNCCc1cccs1 1b8ef25e4acd5b269ce70b8ca5f424ab [0,0,0,0,0,0|2,0,0]=2 575 B10R1.21 OCNCCc1ccsc1 fbedc51742e1bca48984479dc3c8fec2 [0,0,0,0,0,0|4,0,0]=4 576 B10R1.21 OCNCCc1cscn1 3b65d047d0401c4eb374c6dbd74a0aa0 [0,0,0,0,0,0|4,0,0]=4 577 B10R1.21 OCNCCc1ncc[nH]1 38fd7c643463553288d015e5ec14d164 [0,0,0,0,0,0|4,0,0]=4 578 B10R1.21 OCNCCc1nccs1 3e5157fe8d584e1aba8e51157f1f1ff9 [0,0,0,0,0,0|3,0,0]=3 579 B10R1.21 OCNCCc1nncs1 5e119a28d950e879e0ee99b4a9c7415f [0,0,0,0,0,0|4,0,0]=4 580 B10R1.21 OCNCCn1cccc1 ffae6d28a24a6c4800c8cb0eaea07bd0 [0,0,0,0,0,0|4,0,0]=4 581 B10R1.21 OCNCCn1cccn1 a5dc4878c7d386a5cb81780edc57d580 [0,0,0,0,0,0|4,0,0]=4 582 B10R1.21 SCCCNc1cc[nH]n1 f372affdea10663562e98c9f5242e718 [0,0,0,0,0,0|4,0,0]=4 583 B10R1.21 SCCCNc1cccs1 b2bd8dd51f559a41d4ab60443e74a227 [0,0,0,0,0,0|2,0,0]=2 584 B10R1.21 SCCCNc1ccno1 8520663ad0462ac5a3f95a82af76ece3 [0,0,0,0,0,0|3,1,0]=4 585 B10R1.21 SCCCNc1ccns1 53198e75cb4a86dda8055693c2daa52b [0,0,0,0,0,0|3,0,0]=3 586 B10R1.21 SCCCNc1ccon1 af364575bb3eb90ece0bb35653122620 [0,0,0,0,0,0|4,0,0]=4 587 B10R1.21 SCCCNc1ccsc1 553a74043418a212ee70d4a2e2dd39e0 [0,0,0,0,0,0|4,0,0]=4 588 B10R1.21 SCCCNc1cncs1 fb2f5df4f324e1696d936b656fc8133e [0,0,0,0,0,0|3,0,0]=3 589 B10R1.21 SCCCNc1cnns1 79c12e770b525fb396a51f8fdec0338b [0,0,0,0,0,0|4,0,0]=4 590 B10R1.21 SCCCNc1cocn1 d435cc3d79f511271f3a4908b921f399 [0,0,0,0,0,0|4,0,0]=4 591 B10R1.21 SCCCNc1cscn1 f9d6bb685cfd01cdd67d12d2776d3f15 [0,0,0,0,0,0|4,0,0]=4 592 B10R1.21 SCCCNc1ncc[nH]1 c4a1fb0b501e35a4732a8c971d030d13 [0,0,0,0,0,0|4,0,0]=4 593 B10R1.21 SCCCNc1ncco1 03f06c346af623c1d1d37064182cc0c3 [0,0,0,0,0,0|3,1,0]=4 594 B10R1.21 SCCCNc1nccs1 9e574855e12de8e1390cef6e505027ca [0,0,0,0,0,0|3,0,0]=3 595 B10R1.21 SCCCNc1ncns1 cf67048eb9d9d1b8b4943c65aac961d6 [0,0,0,0,0,0|4,0,0]=4 596 B10R1.21 SCCCNc1nncs1 f9990cf1aca0a05ec66a83ca2205c715 [0,0,0,0,0,0|4,0,0]=4 597 B10R1.21 SCCCOc1c[nH]cn1 46e5e015529b1766a49d3c6116b14de5 [0,0,0,0,0,0|4,0,0]=4 598 B10R1.21 SCCCOc1ccco1 22a1a116d80173010e46f2c2d267ec66 [0,0,0,0,0,0|2,1,0]=3 599 B10R1.21 SCCCOc1cccs1 6f93465f61b75a0424c0871f86fddc3d [0,0,0,0,0,0|2,0,0]=2 600 B10R1.21 SCCCOc1ccn[nH]1 1d0540d22499a4356155856e8df504dc [0,0,0,0,0,0|4,0,0]=4 601 B10R1.21 SCCCOc1ccsc1 b9281975dbce32450eafdda76aeacab0 [0,0,0,0,0,0|4,0,0]=4 602 B10R1.21 SCCCOc1nccs1 05d6e1e4d344d8d5bc14bbdfcc981b01 [0,0,0,0,0,0|3,0,0]=3 603 B10R1.21 SCCCOc1nncs1 55b27dba3b8946ccf0324ed82358167a [0,0,0,0,0,0|4,0,0]=4 604 B10R1.21 SCCCOn1cccn1 748cdbb45ff26d7a6e93ed2b8eac45a7 [0,0,0,0,0,0|4,0,0]=4 605 B10R1.21 SCCNCc1cc[nH]c1 0a05c99a61957489ccd083a73d9af7a8 [0,0,0,0,0,0|4,0,0]=4 606 B10R1.21 SCCNCc1ccc[nH]1 92f814f4f9ebad9c76a5b62d4428e6dc [0,0,0,0,0,0|3,0,0]=3 607 B10R1.21 SCCNCc1ccco1 4422157518229a6c95ffdca9589320be [0,0,0,0,0,0|2,1,0]=3 608 B10R1.21 SCCNCc1cccs1 c14456af873f39673f7684598253f2ef [0,0,0,0,0,0|2,0,0]=2 609 B10R1.21 SCCNCc1ccn[nH]1 9744076dfda5065b07a8fa6869ceda90 [0,0,0,0,0,0|4,0,0]=4 610 B10R1.21 SCCNCc1ccno1 22d4c18ab4edac335b98e8d6ac575d44 [0,0,0,0,0,0|3,1,0]=4 611 B10R1.21 SCCNCc1ccns1 a7c8eeec219ba334036f54efc2f08c48 [0,0,0,0,0,0|3,0,0]=3 612 B10R1.21 SCCNCc1ccoc1 1e09f98aead9483e49c58b3836e927e3 [0,0,0,0,0,0|4,0,0]=4 613 B10R1.21 SCCNCc1ccon1 0f1532b78678f2065232d4e8c7c44f49 [0,0,0,0,0,0|4,0,0]=4 614 B10R1.21 SCCNCc1ccsc1 a4585e6b47d0647c14037bd597cc251b [0,0,0,0,0,0|4,0,0]=4 615 B10R1.21 SCCNCc1ccsn1 a82479a3f05616d465cd179508720863 [0,0,0,0,0,0|4,0,0]=4 616 B10R1.21 SCCNCc1cnc[nH]1 bc04a5f38a1a610abd807b03ceec6ce3 [0,0,0,0,0,0|4,0,0]=4 617 B10R1.21 SCCNCc1cnco1 545e27b0908fad20e1e53dbd5b70a282 [0,0,0,0,0,0|3,1,0]=4 618 B10R1.21 SCCNCc1cncs1 3283b13e9d3ed1cbbde2d7b84df53175 [0,0,0,0,0,0|3,0,0]=3 619 B10R1.21 SCCNCc1cocn1 d29b8bf612b5fdb66b86f6446df16b42 [0,0,0,0,0,0|4,0,0]=4 620 B10R1.21 SCCNCc1cscn1 14ea0e489e345d473dd3f14aa24c3cd1 [0,0,0,0,0,0|4,0,0]=4 621 B10R1.21 SCCNCc1ncc[nH]1 41850700b1d3726b9df2e551bed48d76 [0,0,0,0,0,0|4,0,0]=4 622 B10R1.21 SCCNCc1ncco1 1258e7ca764084b38646a114b79b62d5 [0,0,0,0,0,0|3,1,0]=4 623 B10R1.21 SCCNCc1nccs1 5bf7d1b4ebabc8a16cb1d6d7c01de067 [0,0,0,0,0,0|3,0,0]=3 624 B10R1.21 SCCOCc1cc[nH]c1 330b81691ffc744cf4363fbdcca7531a [0,0,0,0,0,0|4,0,0]=4 625 B10R1.21 SCCOCc1ccc[nH]1 4f192c4e8c3ebd7c553bf2c300880016 [0,0,0,0,0,0|3,0,0]=3 626 B10R1.21 SCCOCc1ccco1 eb21d9a30652a8f888082605ebcb92a4 [0,0,0,0,0,0|2,1,0]=3 627 B10R1.21 SCCOCc1cccs1 19c807d132dc7313aa96049bd57665ef [0,0,0,0,0,0|2,0,0]=2 628 B10R1.21 SCCOCc1ccn[nH]1 402a4f4fdbaa9ca0df9a920bb52f71b2 [0,0,0,0,0,0|4,0,0]=4 629 B10R1.21 SCCOCc1ccno1 96419b38b39b0e9e46cacee0b0f59903 [0,0,0,0,0,0|3,1,0]=4 630 B10R1.21 SCCOCc1ccns1 d2307a61d4d793c80d72950fd8ee7a13 [0,0,0,0,0,0|3,0,0]=3 631 B10R1.21 SCCOCc1ccoc1 98d19ae76b74624ea52c5c78c7b3cddf [0,0,0,0,0,0|4,0,0]=4 632 B10R1.21 SCCOCc1ccon1 414e70c283d91a41c99d09939e6523ce [0,0,0,0,0,0|4,0,0]=4 633 B10R1.21 SCCOCc1ccsc1 81805954561c684dcbf7235bf9192fc9 [0,0,0,0,0,0|4,0,0]=4 634 B10R1.21 SCCOCc1ccsn1 8a73aeed38a51aca77d0353f63c7f76d [0,0,0,0,0,0|4,0,0]=4 635 B10R1.21 SCCOCc1cnc[nH]1 3502641920148b940ad7aca8c61ee4e8 [0,0,0,0,0,0|4,0,0]=4 636 B10R1.21 SCCOCc1cnco1 ba11c463294bf9f59e25d6ef4c6b02ec [0,0,0,0,0,0|3,1,0]=4 637 B10R1.21 SCCOCc1cncs1 5677a541e96e63416febebe8af9a73f0 [0,0,0,0,0,0|3,0,0]=3 638 B10R1.21 SCCOCc1cocn1 744e23209b92b9f1ace71a0a7df50cb6 [0,0,0,0,0,0|4,0,0]=4 639 B10R1.21 SCCOCc1cscn1 27ee2271e698257fe22bc0b1abe4d5fa [0,0,0,0,0,0|4,0,0]=4 640 B10R1.21 SCCOCc1ncc[nH]1 1523b702ee98deabd28f0a415a2177c7 [0,0,0,0,0,0|4,0,0]=4 641 B10R1.21 SCCOCc1ncco1 4a4b5a156c050c2a7f702bc2b03448f2 [0,0,0,0,0,0|3,1,0]=4 642 B10R1.21 SCCOCc1nccs1 f029db55c6d845f7bc176537a66c389d [0,0,0,0,0,0|3,0,0]=3 643 B10R1.21 SCCOCc1ncns1 3b345258446b25c50fc8f8047e440c77 [0,0,0,0,0,0|4,0,0]=4 644 B10R1.21 SCCOCn1cccn1 a53bd10f444ecb1d542942c607077ace [0,0,0,0,0,0|4,0,0]=4 645 B9R1.12 BrCCNc1cccs1 c09b0f0dcebf0fcb791d9c0fae97e4ed [1,0,0,0,0,0|2,0,0]=3 646 B9R1.12 BrCCNc1ccns1 cc5a05a67e2985f724f490823c517418 [1,0,0,0,0,0|3,0,0]=4 647 B9R1.12 BrCCNc1nccs1 2d226f1c46138f8d3dbf20330858038a [1,0,0,0,0,0|3,0,0]=4 648 B9R1.12 C#CCNc1cccs1 8edee9b3b22a3e2011e62e8cf8b5d70d [1,0,0,0,0,0|1,0,2]=4 649 B9R1.12 C#CCOc1cccs1 721610a5c23237c44076dfb96b7829e4 [1,0,0,0,0,0|1,0,2]=4 650 B9R1.12 C=CCNc1cccs1 92993373d08919e3ab7ac7048fef9205 [1,0,0,0,0,0|1,0,2]=4 651 B9R1.12 C=CCOc1cccs1 b7faae57695cecc953f00162fbf0975d [1,0,0,0,0,0|1,0,2]=4 652 B9R1.12 CCCCN1CC=CC1 322529f714caf4fee6378b578ed9b062 [1,0,0,0,0,0|2,0,1]=4 653 B9R1.12 CCCNc1c[nH]cn1 6b63b2271006eeda903e175a88c0546a [1,0,0,0,0,0|3,0,0]=4 654 B9R1.12 CCCNc1cc[nH]n1 970996a901dc2871e25e1b3f58bb1ae9 [1,0,0,0,0,0|3,0,0]=4 655 B9R1.12 CCCNc1cccs1 dddbeb0cebfad93e2ee450a927f1f846 [1,0,0,0,0,0|1,0,0]=2 656 B9R1.12 CCCNc1ccno1 278a41485c96cdfca06fb5ac2f62c14e [1,0,0,0,0,0|2,1,0]=4 657 B9R1.12 CCCNc1ccns1 4c2c426bd7131ff8d2911cd5cad3e478 [1,0,0,0,0,0|2,0,0]=3 658 B9R1.12 CCCNc1ccoc1 cc4f6f51569c182aca4da58e5f019c78 [1,0,0,0,0,0|3,0,0]=4 659 B9R1.12 CCCNc1ccon1 67d2486210e5c6b1db57939f48d96b10 [1,0,0,0,0,0|3,0,0]=4 660 B9R1.12 CCCNc1ccsc1 a70237f11ed81d43b5ff787e5b6c83f9 [1,0,0,0,0,0|3,0,0]=4 661 B9R1.12 CCCNc1cncs1 d9981c3c4bf58afdd44af083430ae37f [1,0,0,0,0,0|2,0,0]=3 662 B9R1.12 CCCNc1cnns1 4c99af26421576ad269398b0d12b0db6 [1,0,0,0,0,0|3,0,0]=4 663 B9R1.12 CCCNc1cocn1 ba2d440733fea026f6967dab40049325 [1,0,0,0,0,0|3,0,0]=4 664 B9R1.12 CCCNc1cscn1 fae4b904f23fb93e2e56928f5d9cc6d4 [1,0,0,0,0,0|3,0,0]=4 665 B9R1.12 CCCNc1ncc[nH]1 8f0b11e739cdbcc3c6e78e115ed494fe [1,0,0,0,0,0|3,0,0]=4 666 B9R1.12 CCCNc1ncco1 d0c0e653694791440ac2f0d78edc0e34 [1,0,0,0,0,0|2,1,0]=4 667 B9R1.12 CCCNc1nccs1 26bd7c90c10f9395c78eb9fc2d80649e [1,0,0,0,0,0|2,0,0]=3 668 B9R1.12 CCCNc1ncns1 7c85dffbf3defc91487d1ad2be11f832 [1,0,0,0,0,0|3,0,0]=4 669 B9R1.12 CCCNc1nncs1 6e3185c90a121f6bd5b1de1a33da093b [1,0,0,0,0,0|3,0,0]=4 670 B9R1.12 CCCOc1c[nH]cn1 45a2af4246e68dfa1ee3afde5dc82ddf [1,0,0,0,0,0|3,0,0]=4 671 B9R1.12 CCCOc1ccco1 892ad9a1c4eda1b2e579e57ab16386c6 [1,0,0,0,0,0|1,1,0]=3 672 B9R1.12 CCCOc1cccs1 08634ab81341ae1b1178430949f9ac0f [1,0,0,0,0,0|1,0,0]=2 673 B9R1.12 CCCOc1ccn[nH]1 a3b9c72eb0c803665c4c2723cda3dad1 [1,0,0,0,0,0|3,0,0]=4 674 B9R1.12 CCCOc1ccsc1 09284982954b71ce4e3ef57411744ecc [1,0,0,0,0,0|3,0,0]=4 675 B9R1.12 CCCOc1nccs1 5f60e0b45753d03ef3faa171be938859 [1,0,0,0,0,0|2,0,0]=3 676 B9R1.12 CCCOc1nncs1 0701431acd24640060df3cdf521cfd84 [1,0,0,0,0,0|3,0,0]=4 677 B9R1.12 CCCOn1cccn1 2e48792a1b51d3b1159f5dd703032bb5 [1,0,0,0,0,0|3,0,0]=4 678 B9R1.12 CCNCc1cc[nH]c1 5f34bb16d580f8126d210a7f1c922122 [1,0,0,0,0,0|3,0,0]=4 679 B9R1.12 CCNCc1ccc[nH]1 d148947c496d04ba3fda3d28b4738aad [1,0,0,0,0,0|2,0,0]=3 680 B9R1.12 CCNCc1ccco1 4817cc97570de733e3d59f88500c3b37 [1,0,0,0,0,0|1,1,0]=3 681 B9R1.12 CCNCc1cccs1 4bb993aa1ef7b62c5d2b7781bf586f7d [1,0,0,0,0,0|1,0,0]=2 682 B9R1.12 CCNCc1ccn[nH]1 8d84ae57d6fc6c4a664fbe3966ca8383 [1,0,0,0,0,0|3,0,0]=4 683 B9R1.12 CCNCc1ccno1 e3d071a4a6a6b5a56e413f5bc114cce7 [1,0,0,0,0,0|2,1,0]=4 684 B9R1.12 CCNCc1ccns1 53d19f3606d2c7046c29db26540fcc72 [1,0,0,0,0,0|2,0,0]=3 685 B9R1.12 CCNCc1ccoc1 790b339bd93664fda272fb5f895d2be9 [1,0,0,0,0,0|3,0,0]=4 686 B9R1.12 CCNCc1ccon1 76008202c967d53995dbdd46c4b0b05b [1,0,0,0,0,0|3,0,0]=4 687 B9R1.12 CCNCc1ccsc1 8d2a00279cff0e97c4d4139ed8f7ead4 [1,0,0,0,0,0|3,0,0]=4 688 B9R1.12 CCNCc1ccsn1 c640c32a57f58f85269acc4cf13e08dd [1,0,0,0,0,0|3,0,0]=4 689 B9R1.12 CCNCc1cnco1 1035caf61cdb047204144eeeaf71318d [1,0,0,0,0,0|2,1,0]=4 690 B9R1.12 CCNCc1cncs1 766ca9698d87ebdd1f3395f38204ee85 [1,0,0,0,0,0|2,0,0]=3 691 B9R1.12 CCNCc1cocn1 ee5152002bd65a9d43431c8076f0a4d3 [1,0,0,0,0,0|3,0,0]=4 692 B9R1.12 CCNCc1cscn1 6ac8fdacb085e4e7af5e2a744e0781a5 [1,0,0,0,0,0|3,0,0]=4 693 B9R1.12 CCNCc1ncc[nH]1 80bb75fd4db514b30cbb9decd5220667 [1,0,0,0,0,0|3,0,0]=4 694 B9R1.12 CCNCc1ncco1 d59ea2eedd26cb1a330141171d90cbfb [1,0,0,0,0,0|2,1,0]=4 695 B9R1.12 CCNCc1nccs1 526a03e98732df2789dd97318edaafd6 [1,0,0,0,0,0|2,0,0]=3 696 B9R1.12 CCOCc1cc[nH]c1 59d617c736c503e8fe59f893e6c21bac [1,0,0,0,0,0|3,0,0]=4 697 B9R1.12 CCOCc1ccc[nH]1 0b5c52ca398d6e6823ab9d1f4fb92621 [1,0,0,0,0,0|2,0,0]=3 698 B9R1.12 CCOCc1ccco1 e774f039f2ee21ec2e9d047bdeb979aa [1,0,0,0,0,0|1,1,0]=3 699 B9R1.12 CCOCc1cccs1 8766881c6db57c6784fc6c93385667d4 [1,0,0,0,0,0|1,0,0]=2 700 B9R1.12 CCOCc1ccn[nH]1 d7f28e0a081f68ec795d8d4391069dd7 [1,0,0,0,0,0|3,0,0]=4 701 B9R1.12 CCOCc1ccno1 68fd73c165a46ff5a6360ea6e6f9c37e [1,0,0,0,0,0|2,1,0]=4 702 B9R1.12 CCOCc1ccns1 01d522fece72fce5cf6b304cfc953d98 [1,0,0,0,0,0|2,0,0]=3 703 B9R1.12 CCOCc1ccon1 c3dd8303abc344854e3a20eb862deac2 [1,0,0,0,0,0|3,0,0]=4 704 B9R1.12 CCOCc1ccsc1 386d4e7246ff291707b3e218c5edbe51 [1,0,0,0,0,0|3,0,0]=4 705 B9R1.12 CCOCc1ccsn1 85325b8df299b4348765c5ae4f3bbc2a [1,0,0,0,0,0|3,0,0]=4 706 B9R1.12 CCOCc1cnc[nH]1 9627bc2d6cb500602677f06a6a7d9bf4 [1,0,0,0,0,0|3,0,0]=4 707 B9R1.12 CCOCc1cnco1 682660b9b5fafc169b6b4f8ad83fea44 [1,0,0,0,0,0|2,1,0]=4 708 B9R1.12 CCOCc1cncs1 8515774c41cb1b7c89894f4d4fd2f475 [1,0,0,0,0,0|2,0,0]=3 709 B9R1.12 CCOCc1cocn1 8d5c6b8af6fe755487d9214435b13700 [1,0,0,0,0,0|3,0,0]=4 710 B9R1.12 CCOCc1cscn1 77c64af51f4fa6cafcbef73604cf106e [1,0,0,0,0,0|3,0,0]=4 711 B9R1.12 CCOCc1ncc[nH]1 cf0678147462fc427b9541c5f3d75f6c [1,0,0,0,0,0|3,0,0]=4 712 B9R1.12 CCOCc1ncco1 7b912d50833e4919d9e0630ebdd06bd0 [1,0,0,0,0,0|2,1,0]=4 713 B9R1.12 CCOCc1nccs1 42a4ef0c68f9f4ccf7685ffa2d58e68a [1,0,0,0,0,0|2,0,0]=3 714 B9R1.12 CCOCc1ncns1 73fd7421b1e92604c102e0f80b9de9a1 [1,0,0,0,0,0|3,0,0]=4 715 B9R1.12 CCOCn1cccn1 75e33447e70b4a19050f65c31ed6077f [1,0,0,0,0,0|3,0,0]=4 716 B9R1.12 COCNc1cccs1 a445fc20137d5de04e37049f9b7acf2c [1,0,0,0,0,0|2,0,0]=3 717 B9R1.12 COCNc1ccns1 74bd416b6da6dbc80fd170afd43b9bf9 [1,0,0,0,0,0|3,0,0]=4 718 B9R1.12 COCNc1cncs1 d8aa9030b888e2ce0dd175cd8386e218 [1,0,0,0,0,0|3,0,0]=4 719 B9R1.12 COCNc1nccs1 a9a82eb2fef3eceb9545f8e4c6ef3225 [1,0,0,0,0,0|3,0,0]=4 720 B9R1.12 COCOc1ccco1 e04897991e5b5a23be25371e2fdd1455 [1,0,0,0,0,0|2,1,0]=4 721 B9R1.12 COCOc1cccs1 f7e2b3cd366d3a572662b6a110d9cdff [1,0,0,0,0,0|2,0,0]=3 722 B9R1.12 COCOc1nccs1 c88505ed52fd613977542dc936050055 [1,0,0,0,0,0|3,0,0]=4 723 B9R1.12 CSCNc1cccs1 9666dae99bc2c28068bd9eb8da246d16 [1,0,0,0,0,0|2,0,0]=3 724 B9R1.12 CSCNc1ccns1 d2de5714a25a01b8017c2b1c2eef8beb [1,0,0,0,0,0|3,0,0]=4 725 B9R1.12 CSCNc1cncs1 3beb8ba66092659d529a2317040f5d97 [1,0,0,0,0,0|3,0,0]=4 726 B9R1.12 CSCNc1nccs1 f7f95253927fbf72e500dc3bd3ffda68 [1,0,0,0,0,0|3,0,0]=4 727 B9R1.12 CSCOc1ccco1 1390e2388610ba4d2a6a9c5a27789bf5 [1,0,0,0,0,0|2,1,0]=4 728 B9R1.12 CSCOc1cccs1 bce12fac0c68c414ccd2f558ed87d259 [1,0,0,0,0,0|2,0,0]=3 729 B9R1.12 CSCOc1nccs1 c14501a9c816ea2a12ae33f26fb07968 [1,0,0,0,0,0|3,0,0]=4 730 B9R1.12 FCCNc1cccs1 72d30de6f7107428d208ec2105512673 [1,0,0,0,0,0|2,0,0]=3 731 B9R1.12 FCCNc1ccns1 05dc4bdbe88adb51c28c4778bdc62e3d [1,0,0,0,0,0|3,0,0]=4 732 B9R1.12 FCCNc1cncs1 14fd99ec0e4a761c563866bd4d0ba7d8 [1,0,0,0,0,0|3,0,0]=4 733 B9R1.12 FCCNc1nccs1 120c56a1448bd074a27780dde08884e5 [1,0,0,0,0,0|3,0,0]=4 734 B9R1.12 FCCOc1ccco1 74b943bccf8edd3f7423f52f687b6d81 [1,0,0,0,0,0|2,1,0]=4 735 B9R1.12 FCCOc1cccs1 4d4e0d32e310d3d0cee0221bc94ba774 [1,0,0,0,0,0|2,0,0]=3 736 B9R1.12 FCCOc1nccs1 c6dbda5940e58a96a5e2bdbdddca8160 [1,0,0,0,0,0|3,0,0]=4 737 B9R1.12 FCNCc1ccc[nH]1 b8209f67d0b6dbcebbd0297bb2e6b7c8 [1,0,0,0,0,0|3,0,0]=4 738 B9R1.12 FCNCc1ccco1 15cf0ef1c142117a022de7e1d8123caa [1,0,0,0,0,0|2,1,0]=4 739 B9R1.12 FCNCc1cccs1 1969e67372fdc757bbfda3428419fdb3 [1,0,0,0,0,0|2,0,0]=3 740 B9R1.12 FCNCc1ccns1 fdb6b601f9f936e577ebb82267581695 [1,0,0,0,0,0|3,0,0]=4 741 B9R1.12 FCNCc1cncs1 76fd908de105c0540337c1ef239bc68d [1,0,0,0,0,0|3,0,0]=4 742 B9R1.12 FCNCc1nccs1 5615475f6c7eb30ffbc57692f2b993b8 [1,0,0,0,0,0|3,0,0]=4 743 B9R1.12 FCOCc1ccc[nH]1 f8b57ee506260fbcaafed00f685542b2 [1,0,0,0,0,0|3,0,0]=4 744 B9R1.12 FCOCc1ccco1 c04c3f12cfd8e7c8e05bcf1ef27a3e13 [1,0,0,0,0,0|2,1,0]=4 745 B9R1.12 FCOCc1cccs1 d20aa0b5d32f374e73f69643d763b140 [1,0,0,0,0,0|2,0,0]=3 746 B9R1.12 FCOCc1ccns1 5c700c996c7d8119266c1c9c3ee24311 [1,0,0,0,0,0|3,0,0]=4 747 B9R1.12 FCOCc1cncs1 392d6d5ac538060a9f76173dc86c914f [1,0,0,0,0,0|3,0,0]=4 748 B9R1.12 FCOCc1nccs1 7e836ee678b970cddee8ad1814905381 [1,0,0,0,0,0|3,0,0]=4 749 B9R1.12 ICCNc1cccs1 8499be8b0e3a22886e79ca6d717dc693 [1,0,0,0,0,0|2,0,0]=3 750 B9R1.12 ICCNc1ccns1 7ffcae41552a5909b1e3772850f72f5c [1,0,0,0,0,0|3,0,0]=4 751 B9R1.12 ICCNc1nccs1 638c6ceb33611f15ab726c24ee3635ff [1,0,0,0,0,0|3,0,0]=4 752 B9R1.12 N#CCNc1cccs1 f54e5bc7d0f53d4c6fd4d51f240c1103 [1,0,0,0,0,0|2,0,1]=4 753 B9R1.12 N#CCOc1cccs1 9180840c6ae0b4c773b5e8a412b9e0a7 [1,0,0,0,0,0|2,0,1]=4 754 B9R1.12 N#CNCc1cccs1 cf1c10b6f06ad8c560cc8745113ccbe9 [1,0,0,0,0,0|2,0,1]=4 755 B9R1.12 O=CCNc1cccs1 60a129f7ce0ed47960cff2a58ff45c1c [1,0,0,0,0,0|2,0,1]=4 756 B9R1.12 O=CCOc1cccs1 8bfa681cbb01e0a1759e3c960c15aeb1 [1,0,0,0,0,0|2,0,1]=4 757 B9R1.12 O=CNCc1cccs1 fecfb8c88f46a0100ee636a1638f8376 [1,0,0,0,0,0|2,0,1]=4 758 B9R1.12 OCCNc1ccco1 133a22307e236e8d6e7724cd612f28fd [1,0,0,0,0,0|2,1,0]=4 759 B9R1.12 OCCNc1cccs1 2ba78ef34c75ea3069c9d7a18a33b4b5 [1,0,0,0,0,0|2,0,0]=3 760 B9R1.12 OCCNc1ccns1 94ecdd8d4c31792c77fe23ccc3ac57df [1,0,0,0,0,0|3,0,0]=4 761 B9R1.12 OCCNc1cncs1 8d778bef0f6f8b54315efeb996bc566e [1,0,0,0,0,0|3,0,0]=4 762 B9R1.12 OCCNc1nccs1 97ef5b568316a3301eb9dffbc2fa937a [1,0,0,0,0,0|3,0,0]=4 763 B9R1.12 OCNCc1ccc[nH]1 b011ce93b48fe889bae376897837b402 [1,0,0,0,0,0|3,0,0]=4 764 B9R1.12 OCNCc1ccco1 65cac21f3029c35a0c20d324fb578c01 [1,0,0,0,0,0|2,1,0]=4 765 B9R1.12 OCNCc1cccs1 2d672a9efcaba2b89f20e3b8a4fffaa8 [1,0,0,0,0,0|2,0,0]=3 766 B9R1.12 OCNCc1ccns1 02f2c7810f1c3e540cfce6395bda8c6e [1,0,0,0,0,0|3,0,0]=4 767 B9R1.12 OCNCc1cncs1 7e0889ebf2097242016deaebafe8acfa [1,0,0,0,0,0|3,0,0]=4 768 B9R1.12 OCNCc1nccs1 11e087dc3a42e81fae34a358a44fd79d [1,0,0,0,0,0|3,0,0]=4 769 B9R1.12 SCCNc1ccco1 07751fd732d83bca22eb9634fbc19eef [1,0,0,0,0,0|2,1,0]=4 770 B9R1.12 SCCNc1cccs1 8a17ff5b35bec33fda4ea52f977bd5ac [1,0,0,0,0,0|2,0,0]=3 771 B9R1.12 SCCNc1ccns1 bdde1f0f0115b31ebcb1f688aaeb1db1 [1,0,0,0,0,0|3,0,0]=4 772 B9R1.12 SCCNc1cncs1 57506bc644f03c6ed82e786fef9c6476 [1,0,0,0,0,0|3,0,0]=4 773 B9R1.12 SCCNc1nccs1 e076cf8c1bacf8ab97c5133e1a44b775 [1,0,0,0,0,0|3,0,0]=4 774 B9R1.12 SCCOc1ccco1 7ce458dd6701fc9e2ddded3a6e0f82ed [1,0,0,0,0,0|2,1,0]=4 775 B9R1.12 SCCOc1cccs1 76d2470c19021421703a4592f24d10d6 [1,0,0,0,0,0|2,0,0]=3 776 B9R1.12 SCCOc1nccs1 b58eec8e8d0b6831123e81914019c24f [1,0,0,0,0,0|3,0,0]=4 777 B11R1.4 BrCCNCCc1c[nH]cn1 214fe1312f093f04d187bab9d6270019 [0,1,0,0,0,0|3,0,0]=4 778 B11R1.4 BrCCNCCc1cccs1 62ac0d237af288e485e8f88442fb8c44 [0,1,0,0,0,0|1,0,0]=2 779 B11R1.4 BrCCNCCc1ccn[nH]1 73a1b9dc2cc1c17a08361b022d91d194 [0,1,0,0,0,0|3,0,0]=4 780 B11R1.4 BrCCNCCc1ccsc1 4a35244a235a700a7a92fb84da95642f [0,1,0,0,0,0|3,0,0]=4 781 B11R1.4 BrCCNCCc1cscn1 14be45d109f8b1547bbc0b2e8617f7a9 [0,1,0,0,0,0|3,0,0]=4 782 B11R1.4 BrCCNCCn1cccc1 712895b0558141df4e08ad72c76d8050 [0,1,0,0,0,0|3,0,0]=4 783 B11R1.4 BrCCNCCn1cccn1 277ff66a85e871d675ac9c43cf3dd664 [0,1,0,0,0,0|3,0,0]=4 784 B11R1.4 C#CCCCNc1cccs1 42029b99ce6a4b119f5499efc5677cb1 [0,1,0,0,0,0|0,0,2]=3 785 B11R1.4 C#CCCCNc1ccns1 a5f5f4e407ed14c2a5dc0e66be0eaa8c [0,1,0,0,0,0|1,0,2]=4 786 B11R1.4 C#CCCCNc1cncs1 dc2d5824e57e146d3d4cbfae06701621 [0,1,0,0,0,0|1,0,2]=4 787 B11R1.4 C#CCCCNc1nccs1 e1dfd77525411ae28c4624982e9cc068 [0,1,0,0,0,0|1,0,2]=4 788 B11R1.4 C#CCCCOc1ccco1 48863f4bff46435d66a3de4ad9cffeee [0,1,0,0,0,0|0,1,2]=4 789 B11R1.4 C#CCCCOc1cccs1 f095a9272476422a80aad3b7ba332d2c [0,1,0,0,0,0|0,0,2]=3 790 B11R1.4 C#CCCCOc1nccs1 c1cb1673254bfab4e4c01b6aabc6ba3a [0,1,0,0,0,0|1,0,2]=4 791 B11R1.4 C#CCCNCc1ccc[nH]1 77a32479993e13dfb870ccea76597cd0 [0,1,0,0,0,0|1,0,2]=4 792 B11R1.4 C#CCCNCc1ccco1 10c3b38861958e3d99358960f3e4389c [0,1,0,0,0,0|0,1,2]=4 793 B11R1.4 C#CCCNCc1cccs1 bb8a87795306be5d5b90e55511c2a30a [0,1,0,0,0,0|0,0,2]=3 794 B11R1.4 C#CCCNCc1ccns1 e132aae71f679dff5756daa8a0ce5796 [0,1,0,0,0,0|1,0,2]=4 795 B11R1.4 C#CCCNCc1cncs1 7e4fa0ea8422cc86b157d708c730f557 [0,1,0,0,0,0|1,0,2]=4 796 B11R1.4 C#CCCNCc1nccs1 c475e1315452d17978511ea970c0e166 [0,1,0,0,0,0|1,0,2]=4 797 B11R1.4 C#CCCOCc1ccc[nH]1 2bd943a11818befaa9b4f53e4ad44a52 [0,1,0,0,0,0|1,0,2]=4 798 B11R1.4 C#CCCOCc1ccco1 0395eb6221356c38da83f03104ed2f20 [0,1,0,0,0,0|0,1,2]=4 799 B11R1.4 C#CCCOCc1cccs1 fb80bc9e2c900d51e586709a88e03e32 [0,1,0,0,0,0|0,0,2]=3 800 B11R1.4 C#CCCOCc1ccns1 1a2f8ac4fb82299f18b77de9d1c449fa [0,1,0,0,0,0|1,0,2]=4 801 B11R1.4 C#CCCOCc1cncs1 dc05c6ae81a14c7852fea0dea01795bd [0,1,0,0,0,0|1,0,2]=4 802 B11R1.4 C#CCCOCc1nccs1 3eeb034c53e58ad8e340a0d499376b58 [0,1,0,0,0,0|1,0,2]=4 803 B11R1.4 C#CCNCCc1ccc[nH]1 41341c7ec8bb3717dea30a3943a88d35 [0,1,0,0,0,0|1,0,2]=4 804 B11R1.4 C#CCNCCc1ccco1 14caabe390e06623737be0b1572f20b7 [0,1,0,0,0,0|0,1,2]=4 805 B11R1.4 C#CCNCCc1cccs1 6c7d9d21482936fb86d8df031832868f [0,1,0,0,0,0|0,0,2]=3 806 B11R1.4 C#CCNCCc1nccs1 0f117b777e10ae7748fc76826999883c [0,1,0,0,0,0|1,0,2]=4 807 B11R1.4 C#CCOCCc1ccc[nH]1 ff739e61eaaa08f2848eee5f57cd1f4a [0,1,0,0,0,0|1,0,2]=4 808 B11R1.4 C#CCOCCc1ccco1 03366eb10b2350a61f58b9644e48835a [0,1,0,0,0,0|0,1,2]=4 809 B11R1.4 C#CCOCCc1cccs1 ab1c6c463671aa0aa6327ff960daea21 [0,1,0,0,0,0|0,0,2]=3 810 B11R1.4 C#CCOCCc1nccs1 6f0dcbab1c4fefed128a03bb8f827cfc [0,1,0,0,0,0|1,0,2]=4 811 B11R1.4 C/C=C/CNCc1ccc[nH]1 98d4206d55930f1d002e47573f048026 [0,1,0,0,0,0|1,0,2]=4 812 B11R1.4 C/C=C/CNCc1ccco1 a92c775b66466bd49a8ba62551fd49f8 [0,1,0,0,0,0|0,1,2]=4 813 B11R1.4 C/C=C/CNCc1cccs1 7f4c18978f395b69a1f6269a916c9e15 [0,1,0,0,0,0|0,0,2]=3 814 B11R1.4 C/C=C/CNCc1ccns1 46eb1ff5a3c9a03f56871a1618486e36 [0,1,0,0,0,0|1,0,2]=4 815 B11R1.4 C/C=C/CNCc1cncs1 c0d78bca6997e7d706b9c35fa4b88a65 [0,1,0,0,0,0|1,0,2]=4 816 B11R1.4 C/C=C/CNCc1nccs1 3765d062ba1751591e3c688d21a3fa45 [0,1,0,0,0,0|1,0,2]=4 817 B11R1.4 C/C=C/COCc1ccc[nH]1 d53a79e4f8b0ff2a6a36b80e4df0af77 [0,1,0,0,0,0|1,0,2]=4 818 B11R1.4 C/C=C/COCc1ccco1 f7a261bfe859e3bd08e95dadff168e4a [0,1,0,0,0,0|0,1,2]=4 819 B11R1.4 C/C=C/COCc1cccs1 db86bbac5c16e9a1f611cd8910a16dc3 [0,1,0,0,0,0|0,0,2]=3 820 B11R1.4 C/C=C/COCc1ccns1 40366de5b80388485da79c73be924a8d [0,1,0,0,0,0|1,0,2]=4 821 B11R1.4 C/C=C/COCc1cncs1 71c757f9647fd01336497e65c18b6dfa [0,1,0,0,0,0|1,0,2]=4 822 B11R1.4 C/C=C/COCc1nccs1 bdf4e7b8e9ab634b75f26634c6d78843 [0,1,0,0,0,0|1,0,2]=4 823 B11R1.4 C/C=C\CNCc1ccc[nH]1 05174d0779bab8116d50444aed9e3d68 [0,1,0,0,0,0|1,0,2]=4 824 B11R1.4 C/C=C\CNCc1ccco1 79a54e4612f304871852c814349e97ae [0,1,0,0,0,0|0,1,2]=4 825 B11R1.4 C/C=C\CNCc1cccs1 90ae977874f1093c22e37227e5f07811 [0,1,0,0,0,0|0,0,2]=3 826 B11R1.4 C/C=C\CNCc1ccns1 382032fa04a1a7d21a68253a66ad4907 [0,1,0,0,0,0|1,0,2]=4 827 B11R1.4 C/C=C\CNCc1cncs1 0d768373854819066425f9c9eacc1d7e [0,1,0,0,0,0|1,0,2]=4 828 B11R1.4 C/C=C\CNCc1nccs1 a29e39e34e0b75c1b25491843f2427b0 [0,1,0,0,0,0|1,0,2]=4 829 B11R1.4 C/C=C\COCc1ccc[nH]1 e42c5b61141be0f957935dbf46949522 [0,1,0,0,0,0|1,0,2]=4 830 B11R1.4 C/C=C\COCc1ccco1 c8ed74f9d5b47be1362fc9a6f608013c [0,1,0,0,0,0|0,1,2]=4 831 B11R1.4 C/C=C\COCc1cccs1 9700c01be9dc61f49bb01eaf7efc6320 [0,1,0,0,0,0|0,0,2]=3 832 B11R1.4 C/C=C\COCc1ccns1 337d2cd01b86fa668da72ea2e718ec9b [0,1,0,0,0,0|1,0,2]=4 833 B11R1.4 C/C=C\COCc1cncs1 c66a6463d0c679cd29e6d083437a44ca [0,1,0,0,0,0|1,0,2]=4 834 B11R1.4 C/C=C\COCc1nccs1 242d5f84ee7de8290f5932daa3f2492e [0,1,0,0,0,0|1,0,2]=4 835 B11R1.4 C=CCCCNc1ccco1 660f5de4c1ffd26129da0519cec9b1a6 [0,1,0,0,0,0|0,1,2]=4 836 B11R1.4 C=CCCCNc1cccs1 947e06ab9f5c44f5367d25023b955e58 [0,1,0,0,0,0|0,0,2]=3 837 B11R1.4 C=CCCCNc1ccns1 1bbc1d5250ce402a680f3d7887fca96e [0,1,0,0,0,0|1,0,2]=4 838 B11R1.4 C=CCCCNc1cncs1 131205a61ff75845ef6d43cb1e7561d4 [0,1,0,0,0,0|1,0,2]=4 839 B11R1.4 C=CCCCNc1nccs1 d885f1ad735e10d286799e45711d6147 [0,1,0,0,0,0|1,0,2]=4 840 B11R1.4 C=CCCCOc1ccco1 b027c075cbac3f97664aea8e995da55e [0,1,0,0,0,0|0,1,2]=4 841 B11R1.4 C=CCCCOc1cccs1 b6dbd82474fbfd123ac43f3f3657d085 [0,1,0,0,0,0|0,0,2]=3 842 B11R1.4 C=CCCCOc1nccs1 128efdd8ed6a3dc9894c280725f07fc8 [0,1,0,0,0,0|1,0,2]=4 843 B11R1.4 C=CCCNCc1ccc[nH]1 6643bd3e48fe6ee670dd1e9353dc3c9e [0,1,0,0,0,0|1,0,2]=4 844 B11R1.4 C=CCCNCc1ccco1 13aca1d67a11b327033b8c107220328c [0,1,0,0,0,0|0,1,2]=4 845 B11R1.4 C=CCCNCc1cccs1 d8987862b4d57535e9a587df6152f4a3 [0,1,0,0,0,0|0,0,2]=3 846 B11R1.4 C=CCCNCc1ccns1 5c4ca6084e5979e3117a7077ed9b5f70 [0,1,0,0,0,0|1,0,2]=4 847 B11R1.4 C=CCCNCc1cncs1 6988cdd906c4b3a4446f01f10953082b [0,1,0,0,0,0|1,0,2]=4 848 B11R1.4 C=CCCNCc1nccs1 793871b30a989159917fef3aa7470497 [0,1,0,0,0,0|1,0,2]=4 849 B11R1.4 C=CCCOCc1ccc[nH]1 e7c5fc9fc653dd62af323a6e513a31e5 [0,1,0,0,0,0|1,0,2]=4 850 B11R1.4 C=CCCOCc1ccco1 d2998d690d2d27fe2af16b12226cbcd1 [0,1,0,0,0,0|0,1,2]=4 851 B11R1.4 C=CCCOCc1cccs1 13cb11dcde429f56f6bf7ba2dfd87808 [0,1,0,0,0,0|0,0,2]=3 852 B11R1.4 C=CCCOCc1ccns1 acb30c4f8a6959a3ac6f8144c167de6f [0,1,0,0,0,0|1,0,2]=4 853 B11R1.4 C=CCCOCc1cncs1 38397b2792eec3649ca7a55b7f344627 [0,1,0,0,0,0|1,0,2]=4 854 B11R1.4 C=CCCOCc1nccs1 95fa81630edf3b18211259eacc03c33d [0,1,0,0,0,0|1,0,2]=4 855 B11R1.4 C=CCNCCc1ccc[nH]1 edddb20805d3d888b018f592a169193f [0,1,0,0,0,0|1,0,2]=4 856 B11R1.4 C=CCNCCc1ccco1 85512f2d00d8ac3b314c8ab8a62908ad [0,1,0,0,0,0|0,1,2]=4 857 B11R1.4 C=CCNCCc1cccs1 ce9067fa90232cbaf807886f56609b6c [0,1,0,0,0,0|0,0,2]=3 858 B11R1.4 C=CCNCCc1nccs1 9f0db01517888e7749663e55a7ba7bb9 [0,1,0,0,0,0|1,0,2]=4 859 B11R1.4 C=CCOCCc1ccc[nH]1 3cfe7d62995dc85dfda49745022d2376 [0,1,0,0,0,0|1,0,2]=4 860 B11R1.4 C=CCOCCc1ccco1 77d62c49ccf9915f9bfdb87c59d08e4e [0,1,0,0,0,0|0,1,2]=4 861 B11R1.4 C=CCOCCc1cccs1 f61484ef300184042a27d0de2de1fbf8 [0,1,0,0,0,0|0,0,2]=3 862 B11R1.4 C=CCOCCc1nccs1 9dd2d23270620b5531ed55b81def7665 [0,1,0,0,0,0|1,0,2]=4 863 B11R1.4 C=COCCNc1cccs1 dab3b238cd926aa1a119589cfbbbebbc [0,1,0,0,0,0|1,0,2]=4 864 B11R1.4 CC#CCNCc1ccc[nH]1 f4822a54c071109726db4da8fa4cbe8f [0,1,0,0,0,0|1,0,2]=4 865 B11R1.4 CC#CCNCc1cccs1 3ae7068a598dbea646920d962107b3e5 [0,1,0,0,0,0|0,0,2]=3 866 B11R1.4 CC#CCNCc1nccs1 2656f2a64b9f6ce714228fb365e4b495 [0,1,0,0,0,0|1,0,2]=4 867 B11R1.4 CC#CCOCc1ccc[nH]1 c36ff893f16f7d624050c552035d6a62 [0,1,0,0,0,0|1,0,2]=4 868 B11R1.4 CC#CCOCc1ccco1 e89b674933ca63390c2756d4b63e0222 [0,1,0,0,0,0|0,1,2]=4 869 B11R1.4 CC#CCOCc1cccs1 9329c066e21a059f01022327bb2b3e88 [0,1,0,0,0,0|0,0,2]=3 870 B11R1.4 CC#CCOCc1nccs1 4d15aa434e9a19bf414e87b343b82cb3 [0,1,0,0,0,0|1,0,2]=4 871 B11R1.4 CC/C=C/CNc1cccs1 1407b249fd0bb8d9e8a647f9e8163755 [0,1,0,0,0,0|0,0,2]=3 872 B11R1.4 CC/C=C/CNc1ccns1 957fb3dfab97fc75d77583112938a8dd [0,1,0,0,0,0|1,0,2]=4 873 B11R1.4 CC/C=C/CNc1cncs1 0a0b91921f94342cd535ca3732fee42d [0,1,0,0,0,0|1,0,2]=4 874 B11R1.4 CC/C=C/CNc1nccs1 04d2bbb4bfa11af4b7d94c3752c23df1 [0,1,0,0,0,0|1,0,2]=4 875 B11R1.4 CC/C=C/COc1ccco1 7bb5227fb9b93981015d5f07c1db3ba2 [0,1,0,0,0,0|0,1,2]=4 876 B11R1.4 CC/C=C/COc1cccs1 1b41e55677e90d7d909b6dc04875169b [0,1,0,0,0,0|0,0,2]=3 877 B11R1.4 CC/C=C/COc1nccs1 f72c495571bc9aeeec11bfc693171343 [0,1,0,0,0,0|1,0,2]=4 878 B11R1.4 CC=CCNCc1ccco1 93b0977547955daa12d9231035c95511 [0,1,0,0,0,0|0,1,2]=4 879 B11R1.4 CC=CCNCc1cccs1 264689ddcbf6542f395ea120d758e95a [0,1,0,0,0,0|0,0,2]=3 880 B11R1.4 CC=CCNCc1nccs1 8daba375a21d1e19724f4f5601504917 [0,1,0,0,0,0|1,0,2]=4 881 B11R1.4 CC=CCOCc1ccco1 dc3cec4134945ebcad231e18b81cc5d3 [0,1,0,0,0,0|0,1,2]=4 882 B11R1.4 CC=CCOCc1cccs1 a85444efc8683e9d97d7021c75bcd25f [0,1,0,0,0,0|0,0,2]=3 883 B11R1.4 CC=CCOCc1nccs1 4cbe85e1308d87c174a092690e007ac2 [0,1,0,0,0,0|1,0,2]=4 884 B11R1.4 CCCCCCN1CC=CC1 4abbe8d658e90e6dbfe87f122641718f [0,1,0,0,0,0|2,0,1]=4 885 B11R1.4 CCCCCNC1CC=CC1 35207c1c42f8a1dfb820291a117aad86 [0,1,0,0,0,0|1,0,2]=4 886 B11R1.4 CCCCCNc1c[nH]cn1 b01a7065862deeeed0d6b4ab0d92cb4f [0,1,0,0,0,0|2,0,0]=3 887 B11R1.4 CCCCCNc1cc[nH]n1 db376cb6d60ec1a9d60cefdaded419c8 [0,1,0,0,0,0|2,0,0]=3 888 B11R1.4 CCCCCNc1ccco1 f970cd05169f1dc22a2fc0868aa59ecb [0,1,0,0,0,0|0,1,0]=2 889 B11R1.4 CCCCCNc1cccs1 b90d3a17dbc283de48613a781580a30c [0,1,0,0,0,0|0,0,0]=1 890 B11R1.4 CCCCCNc1ccno1 8f6afcdc2b9aaefcececa096a682bd40 [0,1,0,0,0,0|1,1,0]=3 891 B11R1.4 CCCCCNc1ccns1 a1a013cb44b6ab72f2e54169dc0ac10d [0,1,0,0,0,0|1,0,0]=2 892 B11R1.4 CCCCCNc1ccoc1 873754c10feb0cec44bbaccf311bec49 [0,1,0,0,0,0|2,0,0]=3 893 B11R1.4 CCCCCNc1ccon1 d671983adccc0fc95a3d5df61f1f0ab1 [0,1,0,0,0,0|2,0,0]=3 894 B11R1.4 CCCCCNc1ccsc1 de022f84aa76209e7bcaabaa38bac726 [0,1,0,0,0,0|2,0,0]=3 895 B11R1.4 CCCCCNc1ccsn1 f37f1e8db459e0bbbde0e108bc00eb26 [0,1,0,0,0,0|2,0,0]=3 896 B11R1.4 CCCCCNc1cn[nH]c1 22fbd0626b78d7d59976dbe1fdb17a56 [0,1,0,0,0,0|3,0,0]=4 897 B11R1.4 CCCCCNc1cncs1 8076e9df536a7028573987ad784e25c4 [0,1,0,0,0,0|1,0,0]=2 898 B11R1.4 CCCCCNc1cnns1 0d6a85a93dc7751bf113d0de1f4e25d2 [0,1,0,0,0,0|2,0,0]=3 899 B11R1.4 CCCCCNc1cnoc1 f0b067564a6f5daca89ac9267afcb411 [0,1,0,0,0,0|3,0,0]=4 900 B11R1.4 CCCCCNc1cnon1 cf195b76bc311d4bfb9661d938cb25a2 [0,1,0,0,0,0|3,0,0]=4 901 B11R1.4 CCCCCNc1cnsc1 d94b6362bafa749cc568490788175a75 [0,1,0,0,0,0|3,0,0]=4 902 B11R1.4 CCCCCNc1cnsn1 4820d9605b3b2a1ca0e9f0f5f32e8463 [0,1,0,0,0,0|3,0,0]=4 903 B11R1.4 CCCCCNc1cocn1 f83370ad18c59e371e17d97749d5d0e7 [0,1,0,0,0,0|2,0,0]=3 904 B11R1.4 CCCCCNc1cscn1 80903fdff89c18ed604bedfac42394f8 [0,1,0,0,0,0|2,0,0]=3 905 B11R1.4 CCCCCNc1nc[nH]n1 5080056bf63f8b7bf07a3f7dd04430b5 [0,1,0,0,0,0|3,0,0]=4 906 B11R1.4 CCCCCNc1ncc[nH]1 c5ac4c702c46c1498e6542c46bf35e36 [0,1,0,0,0,0|2,0,0]=3 907 B11R1.4 CCCCCNc1ncco1 2d0badb0f958a9679e2da64f0b39a666 [0,1,0,0,0,0|1,1,0]=3 908 B11R1.4 CCCCCNc1nccs1 b21f76bed6b0f4f128053177274679fa [0,1,0,0,0,0|1,0,0]=2 909 B11R1.4 CCCCCNc1ncns1 cdedf6a0259f45067f6a3e4901cd3890 [0,1,0,0,0,0|2,0,0]=3 910 B11R1.4 CCCCCNc1ncon1 4bd8205b72a6292e40e676bd755ad062 [0,1,0,0,0,0|3,0,0]=4 911 B11R1.4 CCCCCNc1ncsn1 0fe285a514824f242219f5a8786e1c0d [0,1,0,0,0,0|3,0,0]=4 912 B11R1.4 CCCCCNc1nnco1 287266e74b62d44da5da5a35fa4f8996 [0,1,0,0,0,0|2,1,0]=4 913 B11R1.4 CCCCCNc1nncs1 cbf75a2ac6a845c7f577c57ac6afd8fe [0,1,0,0,0,0|2,0,0]=3 914 B11R1.4 CCCCCNc1nnns1 4554d18b94496e649c00b5a24d9a22d3 [0,1,0,0,0,0|3,0,0]=4 915 B11R1.4 CCCCCOC1C=CCC1 78fd44d64a16456a5b7d49fce9337d5f [0,1,0,0,0,0|1,0,2]=4 916 B11R1.4 CCCCCOC1CC=CC1 8431f303e1e8c1d1fffeb44a4ea74bd7 [0,1,0,0,0,0|1,0,2]=4 917 B11R1.4 CCCCCOc1c[nH]cn1 04b204461b754698acf232511926a4fb [0,1,0,0,0,0|2,0,0]=3 918 B11R1.4 CCCCCOc1ccco1 765a6b19c6da88e1e0ac7cbcc3169645 [0,1,0,0,0,0|0,1,0]=2 919 B11R1.4 CCCCCOc1cccs1 7728517f8bb9acd624edad115aa58ef5 [0,1,0,0,0,0|0,0,0]=1 920 B11R1.4 CCCCCOc1ccn[nH]1 b30f2458d669fa133512e1bb7bc88472 [0,1,0,0,0,0|2,0,0]=3 921 B11R1.4 CCCCCOc1ccsc1 dd49135ea18d372e9a057cf4e9f47384 [0,1,0,0,0,0|2,0,0]=3 922 B11R1.4 CCCCCOc1cn[nH]c1 3e01a2142aceb0bf9197eddfe305fc30 [0,1,0,0,0,0|3,0,0]=4 923 B11R1.4 CCCCCOc1cnoc1 b4a80ae7ae57b07406dfb88982be1595 [0,1,0,0,0,0|3,0,0]=4 924 B11R1.4 CCCCCOc1cnsn1 8b3896fb44555040a1c7e03744f7ab98 [0,1,0,0,0,0|3,0,0]=4 925 B11R1.4 CCCCCOc1nccs1 c15d79dcebf468b9a7a6e18d4c47ac7e [0,1,0,0,0,0|1,0,0]=2 926 B11R1.4 CCCCCOc1nncs1 c27048d8f94f91c5cc5e4e46dac455ec [0,1,0,0,0,0|2,0,0]=3 927 B11R1.4 CCCCCOn1cccn1 d67f000620fe7ed8e10e7011e00974af [0,1,0,0,0,0|2,0,0]=3 928 B11R1.4 CCCCCOn1ccnc1 6ec52e97e965d56ede0a0fe42b72904e [0,1,0,0,0,0|3,0,0]=4 929 B11R1.4 CCCCNCC1CC=CC1 fd8eb4604a0e8decac1179050c711f9d [0,1,0,0,0,0|1,0,2]=4 930 B11R1.4 CCCCNCc1c[nH]nn1 ab152af34c6a0df1eed11b9be0ecebea [0,1,0,0,0,0|3,0,0]=4 931 B11R1.4 CCCCNCc1cc[nH]c1 051fa8aa73cb52f6bf59a0b60ece2323 [0,1,0,0,0,0|2,0,0]=3 932 B11R1.4 CCCCNCc1ccc[nH]1 8f70a5f3b98455984453df40f90e0765 [0,1,0,0,0,0|1,0,0]=2 933 B11R1.4 CCCCNCc1ccco1 c9dd13c1879595fe1a868b7933bb7fce [0,1,0,0,0,0|0,1,0]=2 934 B11R1.4 CCCCNCc1cccs1 af82f42e07056437823a093033a20c93 [0,1,0,0,0,0|0,0,0]=1 935 B11R1.4 CCCCNCc1ccn[nH]1 f721c13c7513fb77dd689132298167aa [0,1,0,0,0,0|2,0,0]=3 936 B11R1.4 CCCCNCc1ccno1 262684878b2e753dee1f03fefbb0ca8d [0,1,0,0,0,0|1,1,0]=3 937 B11R1.4 CCCCNCc1ccns1 eb21c86b5291083181d32557d804d94a [0,1,0,0,0,0|1,0,0]=2 938 B11R1.4 CCCCNCc1ccoc1 ab8253f518ded2d472c649b3f9cb4c45 [0,1,0,0,0,0|2,0,0]=3 939 B11R1.4 CCCCNCc1ccon1 b62c6732cea5c05c18494a7f8bbe2930 [0,1,0,0,0,0|2,0,0]=3 940 B11R1.4 CCCCNCc1ccsc1 fad81054f84c8302ac588ac9e034d301 [0,1,0,0,0,0|2,0,0]=3 941 B11R1.4 CCCCNCc1ccsn1 432d82af7f45bc0d7670be7b3a4953a1 [0,1,0,0,0,0|2,0,0]=3 942 B11R1.4 CCCCNCc1cn[nH]c1 ce16f6d4651d2220309f17643b1608b5 [0,1,0,0,0,0|3,0,0]=4 943 B11R1.4 CCCCNCc1cnc[nH]1 d0f77acc87d391b1bc87fb75abe46343 [0,1,0,0,0,0|2,0,0]=3 944 B11R1.4 CCCCNCc1cnco1 2a4a1249531c1591596b3e4f73ee8bbf [0,1,0,0,0,0|1,1,0]=3 945 B11R1.4 CCCCNCc1cncs1 6f9d0d80478848b4f8a585f6562426f6 [0,1,0,0,0,0|1,0,0]=2 946 B11R1.4 CCCCNCc1cnoc1 6570fbd71330c5dc430490f8166ca531 [0,1,0,0,0,0|3,0,0]=4 947 B11R1.4 CCCCNCc1cnsc1 46dd532a6557a1c00fe87594b8243048 [0,1,0,0,0,0|3,0,0]=4 948 B11R1.4 CCCCNCc1cocn1 ddd04785c5ef0f72273a47918f936b76 [0,1,0,0,0,0|2,0,0]=3 949 B11R1.4 CCCCNCc1cscn1 60fe4db25f0072d94d6435844ed1fa33 [0,1,0,0,0,0|2,0,0]=3 950 B11R1.4 CCCCNCc1ncc[nH]1 6432e2374baf5ff8d096fd207eb26bb4 [0,1,0,0,0,0|2,0,0]=3 951 B11R1.4 CCCCNCc1ncco1 ff6e7c3b8aecd5b953ff555e22db7e3a [0,1,0,0,0,0|1,1,0]=3 952 B11R1.4 CCCCNCc1nccs1 12ba848c9f36919e0db36e7fd377b69d [0,1,0,0,0,0|1,0,0]=2 953 B11R1.4 CCCCNCc1ncn[nH]1 7bea41fe593ae62084a7d7b6a6929d8a [0,1,0,0,0,0|3,0,0]=4 954 B11R1.4 CCCCNCc1ncon1 6bd292ede5c74a6df6acf28462138390 [0,1,0,0,0,0|3,0,0]=4 955 B11R1.4 CCCCNCc1nnco1 29d11ad2299ca461f2f7bd42e5416daf [0,1,0,0,0,0|2,1,0]=4 956 B11R1.4 CCCCNCn1cncn1 ab33804f028fc5e36dc6a25573ea229e [0,1,0,0,0,0|3,0,0]=4 957 B11R1.4 CCCCNCn1nccn1 4a4ef4a644cc2c5bf15c7e98d3e533e9 [0,1,0,0,0,0|3,0,0]=4 958 B11R1.4 CCCCOCC1C=CCC1 c7fe9f926bfc5b0fa72df802a4f5efc0 [0,1,0,0,0,0|1,0,2]=4 959 B11R1.4 CCCCOCC1CC=CC1 c42d35b69f62d10ebeefba12ad7edecd [0,1,0,0,0,0|1,0,2]=4 960 B11R1.4 CCCCOCN1CC=CC1 957208bd43a52eb2c84a816d31dd671b [0,1,0,0,0,0|2,0,1]=4 961 B11R1.4 CCCCOCc1cc[nH]c1 581bc78654672672d8839f84f1994efa [0,1,0,0,0,0|2,0,0]=3 962 B11R1.4 CCCCOCc1ccc[nH]1 f3fb6b951360ba51a09fd1477fb79c9e [0,1,0,0,0,0|1,0,0]=2 963 B11R1.4 CCCCOCc1ccco1 b9903212f19458d57de7d6a4cad87304 [0,1,0,0,0,0|0,1,0]=2 964 B11R1.4 CCCCOCc1cccs1 9a50b928bc33363387fdc671f0c971e0 [0,1,0,0,0,0|0,0,0]=1 965 B11R1.4 CCCCOCc1ccn[nH]1 e3d925e64305b357c5a52621be3478be [0,1,0,0,0,0|2,0,0]=3 966 B11R1.4 CCCCOCc1ccno1 7e24cacd8fbec4788dc07b97168b43c4 [0,1,0,0,0,0|1,1,0]=3 967 B11R1.4 CCCCOCc1ccns1 8cf31193369ccb0d41278a49cf5f813d [0,1,0,0,0,0|1,0,0]=2 968 B11R1.4 CCCCOCc1ccoc1 1cadfa682bb5a9af12fa0ba0bf74414e [0,1,0,0,0,0|2,0,0]=3 969 B11R1.4 CCCCOCc1ccon1 f54ac0bd5644c2d9e71697f56ba64fb7 [0,1,0,0,0,0|2,0,0]=3 970 B11R1.4 CCCCOCc1ccsc1 758768cfe76022235190e084f876000a [0,1,0,0,0,0|2,0,0]=3 971 B11R1.4 CCCCOCc1ccsn1 fee5f2971e6cac7e22aaf3ff31f53bbd [0,1,0,0,0,0|2,0,0]=3 972 B11R1.4 CCCCOCc1cn[nH]c1 e9995b9ad1ab1db6d671c3beba64fb9a [0,1,0,0,0,0|3,0,0]=4 973 B11R1.4 CCCCOCc1cnc[nH]1 e355f8f4c2016bcd990276b8842582c4 [0,1,0,0,0,0|2,0,0]=3 974 B11R1.4 CCCCOCc1cnco1 b6ad95bec1ea4c873a4f7e0cca9dab2b [0,1,0,0,0,0|1,1,0]=3 975 B11R1.4 CCCCOCc1cnn[nH]1 b8783123c51dd17d76d38ae43308064a [0,1,0,0,0,0|3,0,0]=4 976 B11R1.4 CCCCOCc1cnoc1 ee6508e38e8d10631b773262b199b21d [0,1,0,0,0,0|3,0,0]=4 977 B11R1.4 CCCCOCc1cnsc1 d000b4e022676a505ae296dbd6346fd6 [0,1,0,0,0,0|3,0,0]=4 978 B11R1.4 CCCCOCc1cnsn1 2e32da5a799517c328c8ae476a91b531 [0,1,0,0,0,0|3,0,0]=4 979 B11R1.4 CCCCOCc1cocn1 f40cb4d1367fb78504c0364d81cda33a [0,1,0,0,0,0|2,0,0]=3 980 B11R1.4 CCCCOCc1cscn1 68e4eeea8b2c221b9ea78b8387e66ca6 [0,1,0,0,0,0|2,0,0]=3 981 B11R1.4 CCCCOCc1csnn1 8a3955dab7271e28689dea3f47d417ce [0,1,0,0,0,0|3,0,0]=4 982 B11R1.4 CCCCOCc1nc[nH]n1 6fa208504b7edc3daaff304891f94c13 [0,1,0,0,0,0|3,0,0]=4 983 B11R1.4 CCCCOCc1ncc[nH]1 d085b1248507f896dbbc5d5c036125ef [0,1,0,0,0,0|2,0,0]=3 984 B11R1.4 CCCCOCc1ncco1 b2e4254a3f75d1046eb12f6b76cb00ad [0,1,0,0,0,0|1,1,0]=3 985 B11R1.4 CCCCOCc1nccs1 91dc9611d28910e945f6e6e5282eb7b4 [0,1,0,0,0,0|1,0,0]=2 986 B11R1.4 CCCCOCc1ncno1 47f731d3bc89946d7b78ff679eefbeeb [0,1,0,0,0,0|2,1,0]=4 987 B11R1.4 CCCCOCc1ncns1 019b2e6dbe99088a3f2881f93f050797 [0,1,0,0,0,0|2,0,0]=3 988 B11R1.4 CCCCOCc1ncon1 3254fdd82b690fa812d0dbb38643114c [0,1,0,0,0,0|3,0,0]=4 989 B11R1.4 CCCCOCc1nnco1 bb1addb0ed09d3d6fd0c80b9abb5711d [0,1,0,0,0,0|2,1,0]=4 990 B11R1.4 CCCCOCn1cccn1 fcdcb47fd172c4c538bc17f9bbf65917 [0,1,0,0,0,0|2,0,0]=3 991 B11R1.4 CCCCOCn1ccnc1 d472087870e1773b349b9db8fedf94db [0,1,0,0,0,0|3,0,0]=4 992 B11R1.4 CCCCOCn1cncn1 90cf6ca475d1fbbe0a101f4b8103734b [0,1,0,0,0,0|3,0,0]=4 993 B11R1.4 CCCCOCn1nccn1 7c95941c06dfff317951ddb94d72eaaf [0,1,0,0,0,0|3,0,0]=4 994 B11R1.4 CCCNCCc1c[nH]cn1 b7f00a6a1372a16ef0e024ef22595d63 [0,1,0,0,0,0|2,0,0]=3 995 B11R1.4 CCCNCCc1cc[nH]n1 2cbf5eb2f2911974054fa30b12e3c5dc [0,1,0,0,0,0|2,0,0]=3 996 B11R1.4 CCCNCCc1ccc[nH]1 8147e22ed6a84884178e68e4a2d743df [0,1,0,0,0,0|1,0,0]=2 997 B11R1.4 CCCNCCc1ccco1 6b925e785b195733bc9096e5bb1e098f [0,1,0,0,0,0|0,1,0]=2 998 B11R1.4 CCCNCCc1cccs1 b4154059d941d51114a95a825d16ee4d [0,1,0,0,0,0|0,0,0]=1 999 B11R1.4 CCCNCCc1ccsc1 1536374e7579f3b5df16484c53bd352f [0,1,0,0,0,0|2,0,0]=3 1000 B11R1.4 CCCNCCc1cn[nH]c1 513c32c798b5bb31004b9c370fba006d [0,1,0,0,0,0|3,0,0]=4 1001 B11R1.4 CCCNCCc1cnn[nH]1 5d1993d58c08cbd6d1662bba16bf9bf1 [0,1,0,0,0,0|3,0,0]=4 1002 B11R1.4 CCCNCCc1cnoc1 3f039175430ef1bc11e84a1263fabb98 [0,1,0,0,0,0|3,0,0]=4 1003 B11R1.4 CCCNCCc1cscn1 29f669849f317b7ecbc34774cd24e763 [0,1,0,0,0,0|2,0,0]=3 1004 B11R1.4 CCCNCCc1ncc[nH]1 dce33185164c7b398c2bcd01316f58bb [0,1,0,0,0,0|2,0,0]=3 1005 B11R1.4 CCCNCCc1nccs1 4c246ca97e0a7b051f38fcdfcace1b9e [0,1,0,0,0,0|1,0,0]=2 1006 B11R1.4 CCCNCCc1ncon1 e4ba9fd98e3fe8b2f3ccb4321e643ae4 [0,1,0,0,0,0|3,0,0]=4 1007 B11R1.4 CCCNCCc1nncs1 118ed2f1b13a7c10050825c77faeb60c [0,1,0,0,0,0|2,0,0]=3 1008 B11R1.4 CCCNCCn1cccc1 2c5d0ecf4255a9ecb9679f6052dd7095 [0,1,0,0,0,0|2,0,0]=3 1009 B11R1.4 CCCNCCn1cccn1 d5ff05a8334d4e31344e943883aba9a9 [0,1,0,0,0,0|2,0,0]=3 1010 B11R1.4 CCCNCCn1ccnc1 e80717316fb4a596919e4aa992048555 [0,1,0,0,0,0|3,0,0]=4 1011 B11R1.4 CCCNCCn1ccnn1 5929539587567cab206861b6d4fe4720 [0,1,0,0,0,0|3,0,0]=4 1012 B11R1.4 CCCNCCn1cncn1 5a7ee9a4c17460c74cf5368623c9292a [0,1,0,0,0,0|3,0,0]=4 1013 B11R1.4 CCCNCCn1nccn1 a84664272c862120646dc4835c5ee375 [0,1,0,0,0,0|3,0,0]=4 1014 B11R1.4 CCCOCCN1CC=CC1 35f9a7a185e7c65f6e3a1840d80c3209 [0,1,0,0,0,0|2,0,1]=4 1015 B11R1.4 CCCOCCc1c[nH]cn1 b153bf5049d0a5387dd8550da7bcdec7 [0,1,0,0,0,0|2,0,0]=3 1016 B11R1.4 CCCOCCc1cc[nH]n1 f066b154a85b290b852e9bfb94955164 [0,1,0,0,0,0|2,0,0]=3 1017 B11R1.4 CCCOCCc1ccc[nH]1 5fef4db54b1b5d041886351ac954673a [0,1,0,0,0,0|1,0,0]=2 1018 B11R1.4 CCCOCCc1ccco1 7e3a9046d4399a2533dc33c2e64d0238 [0,1,0,0,0,0|0,1,0]=2 1019 B11R1.4 CCCOCCc1cccs1 3efc7159f8ad1bcf58697e9254fd54d1 [0,1,0,0,0,0|0,0,0]=1 1020 B11R1.4 CCCOCCc1ccoc1 bc991c92cafa29c358102c9d241d422b [0,1,0,0,0,0|2,0,0]=3 1021 B11R1.4 CCCOCCc1ccon1 fb90bcf3e81f1f8e1cf2ba4638065286 [0,1,0,0,0,0|2,0,0]=3 1022 B11R1.4 CCCOCCc1ccsc1 93af440748e435ae9ef2283312b49f0a [0,1,0,0,0,0|2,0,0]=3 1023 B11R1.4 CCCOCCc1cn[nH]c1 22ac4d3a04c1009471741cf3384aa0a7 [0,1,0,0,0,0|3,0,0]=4 1024 B11R1.4 CCCOCCc1cnoc1 60467f6de168935cafd09eaf3314d840 [0,1,0,0,0,0|3,0,0]=4 1025 B11R1.4 CCCOCCc1cscn1 eb46aaf56455d56b0b27aa516512be07 [0,1,0,0,0,0|2,0,0]=3 1026 B11R1.4 CCCOCCc1ncc[nH]1 c68df73e84a615ea812f8d81e4245ce4 [0,1,0,0,0,0|2,0,0]=3 1027 B11R1.4 CCCOCCc1nccs1 3ce3e927115e4152d78cb4a928be15f5 [0,1,0,0,0,0|1,0,0]=2 1028 B11R1.4 CCCOCCc1ncon1 d72a3a7a5f2eeb01979d72876ba9967d [0,1,0,0,0,0|3,0,0]=4 1029 B11R1.4 CCCOCCn1cccc1 56ffc6bce88a3c31d83fbdbc55fd9a5b [0,1,0,0,0,0|2,0,0]=3 1030 B11R1.4 CCCOCCn1cccn1 7f86f7be2d3c5f24ad59f6ae0dafa690 [0,1,0,0,0,0|2,0,0]=3 1031 B11R1.4 CCCOCCn1ccnc1 e23cfd88768b3dcf8950aa1759914316 [0,1,0,0,0,0|3,0,0]=4 1032 B11R1.4 CCCOCCn1ccnn1 4cb0a22ee0e0ea280ad4e0cdda960652 [0,1,0,0,0,0|3,0,0]=4 1033 B11R1.4 CCCOCCn1cncn1 724005032c8aefe97a195086c1771926 [0,1,0,0,0,0|3,0,0]=4 1034 B11R1.4 CCCOCCn1nccn1 b4b0b487db0eb4f31e137f777fbff8dd [0,1,0,0,0,0|3,0,0]=4 1035 B11R1.4 CCNCCCc1c[nH]cn1 964cc9cc7a3784a0fd2b3bea5b2627fd [0,1,0,0,0,0|2,0,0]=3 1036 B11R1.4 CCNCCCc1ccco1 43406731f71a6d17b9e88a0e0d1fd4a9 [0,1,0,0,0,0|0,1,0]=2 1037 B11R1.4 CCNCCCc1cccs1 4f6ad20c34b73563b328c34ff6e893f6 [0,1,0,0,0,0|0,0,0]=1 1038 B11R1.4 CCNCCCc1ncc[nH]1 f39534a40fb1f8de7cff1f44e4061cd9 [0,1,0,0,0,0|2,0,0]=3 1039 B11R1.4 CCNCCCn1cccc1 bd430d07ea67406d15430a2a7b88d638 [0,1,0,0,0,0|2,0,0]=3 1040 B11R1.4 CCNCCCn1cccn1 782e4194c9aeaf49175fc5734207892e [0,1,0,0,0,0|2,0,0]=3 1041 B11R1.4 CCNCCCn1ccnc1 cd7b919a0a610fbbdcbdfe873a5e4f68 [0,1,0,0,0,0|3,0,0]=4 1042 B11R1.4 CCNCCCn1ccnn1 a6f96b0e527b3d0ba815e1f3eba265f2 [0,1,0,0,0,0|3,0,0]=4 1043 B11R1.4 CCNCCCn1cncn1 6eadb76be7ecbe040f414a2b070b2efe [0,1,0,0,0,0|3,0,0]=4 1044 B11R1.4 CCOCCCN1CC=CC1 43d0335dacf599952d9913683e28dd4f [0,1,0,0,0,0|2,0,1]=4 1045 B11R1.4 CCOCCCc1ccco1 ff0106fb5384705690339b058590e0ea [0,1,0,0,0,0|0,1,0]=2 1046 B11R1.4 CCOCCCc1cccs1 4cd565c71e10cfbbaae862aee5b0d4e4 [0,1,0,0,0,0|0,0,0]=1 1047 B11R1.4 CCOCCCc1ccsc1 c73cd67ea9cc8ae727db74d99d865074 [0,1,0,0,0,0|2,0,0]=3 1048 B11R1.4 CCOCCCc1cn[nH]c1 0d16d406c78372b3219c10e03c7f71b4 [0,1,0,0,0,0|3,0,0]=4 1049 B11R1.4 CCOCCCc1cnc[nH]1 a4651b0b0227b9076c6a5dd10563d8a1 [0,1,0,0,0,0|2,0,0]=3 1050 B11R1.4 CCOCCCc1cnoc1 aa4748e3be263f0fdac37ef1d63139f6 [0,1,0,0,0,0|3,0,0]=4 1051 B11R1.4 CCOCCCn1cccc1 4c480c0d94da65b00d4b5e45367bfb8d [0,1,0,0,0,0|2,0,0]=3 1052 B11R1.4 CCOCCCn1cccn1 1d552a28a1bb4d02a4057be99b8e9cd2 [0,1,0,0,0,0|2,0,0]=3 1053 B11R1.4 CCOCCCn1ccnc1 ecc00565f4e19bb687f88796f2b1cff8 [0,1,0,0,0,0|3,0,0]=4 1054 B11R1.4 CCOCCCn1cncn1 7e1f9bae37a86ed991e393efd37bffbf [0,1,0,0,0,0|3,0,0]=4 1055 B11R1.4 CCOCCCn1nccn1 5f6a2f0151906cfcffe8e416579253d5 [0,1,0,0,0,0|3,0,0]=4 1056 B11R1.4 CCOCCNc1c[nH]cn1 21a482199857c17b6c0442bc67dcbefd [0,1,0,0,0,0|3,0,0]=4 1057 B11R1.4 CCOCCNc1cc[nH]n1 e8a454a0d6939150c0ff7322a853f434 [0,1,0,0,0,0|3,0,0]=4 1058 B11R1.4 CCOCCNc1ccco1 edf6bc75ce1ecbe8b2d1371fa0a7c7f7 [0,1,0,0,0,0|1,1,0]=3 1059 B11R1.4 CCOCCNc1cccs1 79e0477f625c49165dc9a730b6981ba2 [0,1,0,0,0,0|1,0,0]=2 1060 B11R1.4 CCOCCNc1ccno1 38a685dd04fc2df04c51acf373d48d76 [0,1,0,0,0,0|2,1,0]=4 1061 B11R1.4 CCOCCNc1ccns1 85bda3d7ddc2d024e83eb2a1043b7a60 [0,1,0,0,0,0|2,0,0]=3 1062 B11R1.4 CCOCCNc1ccoc1 ceb28da3f53f1a7b716fae0923cbcbba [0,1,0,0,0,0|3,0,0]=4 1063 B11R1.4 CCOCCNc1ccon1 10a514512d3fe7e2404001ef5de04c12 [0,1,0,0,0,0|3,0,0]=4 1064 B11R1.4 CCOCCNc1ccsc1 77b239f16add22f47574850ee05f114e [0,1,0,0,0,0|3,0,0]=4 1065 B11R1.4 CCOCCNc1ccsn1 598550ebbc741f457d6889e4143c86cd [0,1,0,0,0,0|3,0,0]=4 1066 B11R1.4 CCOCCNc1cncs1 0b9cf98613744720bc8906c68ae85e33 [0,1,0,0,0,0|2,0,0]=3 1067 B11R1.4 CCOCCNc1cnns1 777307b2ee49595af77390de3627dddd [0,1,0,0,0,0|3,0,0]=4 1068 B11R1.4 CCOCCNc1cocn1 55b387a647de47c6cf0791cc9465a0dd [0,1,0,0,0,0|3,0,0]=4 1069 B11R1.4 CCOCCNc1cscn1 d96bb0f3e706429a6b3c29d718ada96a [0,1,0,0,0,0|3,0,0]=4 1070 B11R1.4 CCOCCNc1ncc[nH]1 667faac364380e3b62d8e7006b500152 [0,1,0,0,0,0|3,0,0]=4 1071 B11R1.4 CCOCCNc1ncco1 ccc1aad269365522ab3e03e0b06f7fbe [0,1,0,0,0,0|2,1,0]=4 1072 B11R1.4 CCOCCNc1nccs1 9af09566ff3c87f17d984a5f536b52d5 [0,1,0,0,0,0|2,0,0]=3 1073 B11R1.4 CCOCCNc1ncns1 10057f6d8f46618b7d364a4683ef5e21 [0,1,0,0,0,0|3,0,0]=4 1074 B11R1.4 CCOCCNc1nncs1 e3247d8a988c16dfd770853b9d271dac [0,1,0,0,0,0|3,0,0]=4 1075 B11R1.4 CCOCCOc1c[nH]cn1 b5322efc4d13345ba7c455c0c2ffa2aa [0,1,0,0,0,0|3,0,0]=4 1076 B11R1.4 CCOCCOc1ccco1 6e9586a66d86444d56b340b3cf832d00 [0,1,0,0,0,0|1,1,0]=3 1077 B11R1.4 CCOCCOc1cccs1 ca5078397450ab8d451fd9979dfbaf8a [0,1,0,0,0,0|1,0,0]=2 1078 B11R1.4 CCOCCOc1ccn[nH]1 3e48fba8274b85cd4416232b1523c437 [0,1,0,0,0,0|3,0,0]=4 1079 B11R1.4 CCOCCOc1ccsc1 b3aa8aa9bbc6db0bc99af4dbd211af11 [0,1,0,0,0,0|3,0,0]=4 1080 B11R1.4 CCOCCOc1nccs1 04f38438e215b95c3a5d026aeede96cd [0,1,0,0,0,0|2,0,0]=3 1081 B11R1.4 CCOCCOc1nncs1 39dec3a1263eeaffcab6ea4f5de24d06 [0,1,0,0,0,0|3,0,0]=4 1082 B11R1.4 CCOCCOn1cccn1 43b2a2308bc4503f072c773b33da4f87 [0,1,0,0,0,0|3,0,0]=4 1083 B11R1.4 CCOCNCc1cc[nH]c1 5a7a47d0d2ddcd763b6583db82d0f797 [0,1,0,0,0,0|3,0,0]=4 1084 B11R1.4 CCOCNCc1ccc[nH]1 9be41b66058059b0d3cbc6a49de45841 [0,1,0,0,0,0|2,0,0]=3 1085 B11R1.4 CCOCNCc1ccco1 f8372757a797acd586fed673a112e283 [0,1,0,0,0,0|1,1,0]=3 1086 B11R1.4 CCOCNCc1cccs1 72e4789bc09ddbea420bdffe8a6a3776 [0,1,0,0,0,0|1,0,0]=2 1087 B11R1.4 CCOCNCc1ccn[nH]1 1e0b34b97e60bc0f4f9756879b9429d0 [0,1,0,0,0,0|3,0,0]=4 1088 B11R1.4 CCOCNCc1ccno1 0e4124bf9df1cdb326028b4bc2307fb9 [0,1,0,0,0,0|2,1,0]=4 1089 B11R1.4 CCOCNCc1ccns1 af76687b46d68fcfd773a816abe766eb [0,1,0,0,0,0|2,0,0]=3 1090 B11R1.4 CCOCNCc1ccon1 7fc4cd9670b0a82bb4f57bcd15bb4d3c [0,1,0,0,0,0|3,0,0]=4 1091 B11R1.4 CCOCNCc1ccsc1 fac8ee1efded62aab87045c8c1c4a2b3 [0,1,0,0,0,0|3,0,0]=4 1092 B11R1.4 CCOCNCc1ccsn1 d9dfb8eca01e96c77835be380d505283 [0,1,0,0,0,0|3,0,0]=4 1093 B11R1.4 CCOCNCc1cscn1 851b7d461fc8eebe0a1a2a6a61d3b8ed [0,1,0,0,0,0|3,0,0]=4 1094 B11R1.4 CCOCNCc1ncc[nH]1 f691e15c4159e1d607cfa0170dc7cdf0 [0,1,0,0,0,0|3,0,0]=4 1095 B11R1.4 CCOCNCc1ncco1 bdc6f12035dd5ee34afeee08d2bc95c3 [0,1,0,0,0,0|2,1,0]=4 1096 B11R1.4 CCOCNCc1nccs1 5729ac22dd0256104fff5c0ca11bdc64 [0,1,0,0,0,0|2,0,0]=3 1097 B11R1.4 CCOCOCc1ccc[nH]1 211c96508dedb2910a380eaf1ce01b5c [0,1,0,0,0,0|2,0,0]=3 1098 B11R1.4 CCOCOCc1ccn[nH]1 9e1f50b64fd4c73dc3e1303c58550274 [0,1,0,0,0,0|3,0,0]=4 1099 B11R1.4 CCOCOCc1ccno1 a94c269d758b006fa8dc9554b0c3317a [0,1,0,0,0,0|2,1,0]=4 1100 B11R1.4 CCOCOCc1ccsc1 0b65207f8fd466ee44b0b843dde2cd0a [0,1,0,0,0,0|3,0,0]=4 1101 B11R1.4 CCOCOCc1cnc[nH]1 57957fede78ad48d980b4eb7da56b368 [0,1,0,0,0,0|3,0,0]=4 1102 B11R1.4 CCOCOCc1ncc[nH]1 369bc455ddf1aff79d3df71f1f55e537 [0,1,0,0,0,0|3,0,0]=4 1103 B11R1.4 CCOCOCc1ncco1 be1e48421d11f9735ead88960fd147d3 [0,1,0,0,0,0|2,1,0]=4 1104 B11R1.4 CCOCOCc1nccs1 4bc8a65f74a1b73cdb5b8b88b1fe974f [0,1,0,0,0,0|2,0,0]=3 1105 B11R1.4 CCOCOCn1cccn1 6b459b209b19907969cbaf6f8f0933d0 [0,1,0,0,0,0|3,0,0]=4 1106 B11R1.4 CCSCCCN1CC=CC1 0bc37c9ff015550f025d517498bf2426 [0,1,0,0,0,0|2,0,1]=4 1107 B11R1.4 CCSCCNc1cc[nH]n1 167de37bff4afc7978b20184219e592e [0,1,0,0,0,0|3,0,0]=4 1108 B11R1.4 CCSCCNc1cccs1 0d22172f1c832a97dffde5682e3eb2ba [0,1,0,0,0,0|1,0,0]=2 1109 B11R1.4 CCSCCNc1ccno1 335289ee6fd75eab05e3a1f76824e0c3 [0,1,0,0,0,0|2,1,0]=4 1110 B11R1.4 CCSCCNc1ccns1 28bad9003cab138c8ea549d7cd773463 [0,1,0,0,0,0|2,0,0]=3 1111 B11R1.4 CCSCCNc1ccoc1 8228fb92ed8b83be507a70e2c2053f07 [0,1,0,0,0,0|3,0,0]=4 1112 B11R1.4 CCSCCNc1ccon1 4504b2c954f8f9c224628acbfd91a2e0 [0,1,0,0,0,0|3,0,0]=4 1113 B11R1.4 CCSCCNc1ccsc1 2a6e8f6959a0eed051e6d60dc8f9ce0a [0,1,0,0,0,0|3,0,0]=4 1114 B11R1.4 CCSCCNc1cncs1 1bb981fee700dd6beb53d5668f277873 [0,1,0,0,0,0|2,0,0]=3 1115 B11R1.4 CCSCCNc1cnns1 d7abb4af7b941d5f8e7b9ed3f7b8d627 [0,1,0,0,0,0|3,0,0]=4 1116 B11R1.4 CCSCCNc1cocn1 229309044e424b71aad9413bbb84c1f1 [0,1,0,0,0,0|3,0,0]=4 1117 B11R1.4 CCSCCNc1cscn1 d447ecd424e7306db9c7486e2939ec84 [0,1,0,0,0,0|3,0,0]=4 1118 B11R1.4 CCSCCNc1ncc[nH]1 6606e174edb26b4e33d97263f8f58348 [0,1,0,0,0,0|3,0,0]=4 1119 B11R1.4 CCSCCNc1ncco1 3d36db83ec78b028549a82477600a0d3 [0,1,0,0,0,0|2,1,0]=4 1120 B11R1.4 CCSCCNc1nccs1 71b9434ad2484a035ec7bd57bd3fd796 [0,1,0,0,0,0|2,0,0]=3 1121 B11R1.4 CCSCCNc1ncns1 b4f376555e94e1d05ae82c837e4b81f4 [0,1,0,0,0,0|3,0,0]=4 1122 B11R1.4 CCSCCNc1nncs1 fb8895a987273a8e6bd3256cd5dc8e91 [0,1,0,0,0,0|3,0,0]=4 1123 B11R1.4 CCSCCOc1c[nH]cn1 3f29bd6aef2a79356b95d64a29796001 [0,1,0,0,0,0|3,0,0]=4 1124 B11R1.4 CCSCCOc1ccco1 66dcfad105f9a9cb50616cc928734ed8 [0,1,0,0,0,0|1,1,0]=3 1125 B11R1.4 CCSCCOc1cccs1 3b5a7441262a5fcdcb52fe6c4daa82ae [0,1,0,0,0,0|1,0,0]=2 1126 B11R1.4 CCSCCOc1ccn[nH]1 d677cba1af204b65ad1a69e6fdedf6f3 [0,1,0,0,0,0|3,0,0]=4 1127 B11R1.4 CCSCCOc1ccsc1 1606b2de4b1dde47188107bb8cb477e6 [0,1,0,0,0,0|3,0,0]=4 1128 B11R1.4 CCSCCOc1nccs1 4ca8c155c9896210e3f541ff12b6ed65 [0,1,0,0,0,0|2,0,0]=3 1129 B11R1.4 CCSCCOc1nncs1 4c5227bd0f20b851b9c582055249a1b9 [0,1,0,0,0,0|3,0,0]=4 1130 B11R1.4 CCSCCOn1cccn1 d69e786dfd8f23faf01bbd1922743563 [0,1,0,0,0,0|3,0,0]=4 1131 B11R1.4 COCCCCN1CC=CC1 0dd57d981ed9b502ac3301c4527289a6 [0,1,0,0,0,0|2,0,1]=4 1132 B11R1.4 COCCCNc1c[nH]cn1 4690f87c46396c4000ca4a22dd46d5f3 [0,1,0,0,0,0|3,0,0]=4 1133 B11R1.4 COCCCNc1cc[nH]n1 0a61c55cfba96f2c701e5b00d5c5e841 [0,1,0,0,0,0|3,0,0]=4 1134 B11R1.4 COCCCNc1ccco1 2698f49049786585ce01cc05e9674da8 [0,1,0,0,0,0|1,1,0]=3 1135 B11R1.4 COCCCNc1cccs1 7f7a5af46ea6e9f0c52e59c7f1d832ed [0,1,0,0,0,0|1,0,0]=2 1136 B11R1.4 COCCCNc1ccno1 1e99f089c4d86285f9894acab2ffdb19 [0,1,0,0,0,0|2,1,0]=4 1137 B11R1.4 COCCCNc1ccns1 e1e5c3aedc55371fdb9f0b085d6bfb08 [0,1,0,0,0,0|2,0,0]=3 1138 B11R1.4 COCCCNc1ccoc1 7da15c00e1bcececad0a7fd6f14428fe [0,1,0,0,0,0|3,0,0]=4 1139 B11R1.4 COCCCNc1ccon1 d641cc22ceaee451e19e2f634c1246d7 [0,1,0,0,0,0|3,0,0]=4 1140 B11R1.4 COCCCNc1ccsc1 d910de907982bdb6d2cbea7665877ea7 [0,1,0,0,0,0|3,0,0]=4 1141 B11R1.4 COCCCNc1ccsn1 5c592747708c4dd4f39d19d247b26190 [0,1,0,0,0,0|3,0,0]=4 1142 B11R1.4 COCCCNc1cncs1 46cc2e14db84e5b4426c4d1b3846b1a3 [0,1,0,0,0,0|2,0,0]=3 1143 B11R1.4 COCCCNc1cnns1 460427ccb623a039cdf9b4c760e9b6b8 [0,1,0,0,0,0|3,0,0]=4 1144 B11R1.4 COCCCNc1cocn1 09c105eb4fe3411c2a77b9be8a55af8d [0,1,0,0,0,0|3,0,0]=4 1145 B11R1.4 COCCCNc1cscn1 fe23937fa2f0f15acf151e61359a09db [0,1,0,0,0,0|3,0,0]=4 1146 B11R1.4 COCCCNc1ncc[nH]1 5ca99874c98cd9c2900be8425b076b41 [0,1,0,0,0,0|3,0,0]=4 1147 B11R1.4 COCCCNc1ncco1 e9dd8234360b9a5d70ee7d8634015004 [0,1,0,0,0,0|2,1,0]=4 1148 B11R1.4 COCCCNc1nccs1 11ad58361977dfbe168bb856e4f05b74 [0,1,0,0,0,0|2,0,0]=3 1149 B11R1.4 COCCCNc1ncns1 8ef419949d2e7de683c183fc6f37b985 [0,1,0,0,0,0|3,0,0]=4 1150 B11R1.4 COCCCNc1nncs1 b4b9242c1a63d358e413050c5a57893d [0,1,0,0,0,0|3,0,0]=4 1151 B11R1.4 COCCCOc1c[nH]cn1 65068a29f5c1582135acb5b6715c546e [0,1,0,0,0,0|3,0,0]=4 1152 B11R1.4 COCCCOc1ccco1 fdae3f18325cc419b6230e879537460e [0,1,0,0,0,0|1,1,0]=3 1153 B11R1.4 COCCCOc1cccs1 cd4a824920495624ceda3bdff6698441 [0,1,0,0,0,0|1,0,0]=2 1154 B11R1.4 COCCCOc1ccn[nH]1 413d30f99406e0973245cf6f02103031 [0,1,0,0,0,0|3,0,0]=4 1155 B11R1.4 COCCCOc1ccsc1 f37b02f502cfcdead48bf16d2ce511a2 [0,1,0,0,0,0|3,0,0]=4 1156 B11R1.4 COCCCOc1nccs1 3aa44f6508bbf78153a4e349824e82af [0,1,0,0,0,0|2,0,0]=3 1157 B11R1.4 COCCCOc1nncs1 8af31233a2f6d0ab9db05a6c61a0df11 [0,1,0,0,0,0|3,0,0]=4 1158 B11R1.4 COCCCOn1cccn1 e223a3a703c067034697d369aa12a680 [0,1,0,0,0,0|3,0,0]=4 1159 B11R1.4 COCCNCc1cc[nH]c1 37a8a257ef69e67b4c5c8b139741b499 [0,1,0,0,0,0|3,0,0]=4 1160 B11R1.4 COCCNCc1ccc[nH]1 ba1dafb10fa16689658524458913d3e3 [0,1,0,0,0,0|2,0,0]=3 1161 B11R1.4 COCCNCc1ccco1 95b208c7b624cddd811e5f2a5fcb58cd [0,1,0,0,0,0|1,1,0]=3 1162 B11R1.4 COCCNCc1cccs1 b64f6cbf986a6fce5f237ce3c5cace5d [0,1,0,0,0,0|1,0,0]=2 1163 B11R1.4 COCCNCc1ccn[nH]1 c125ebce0b73dc76f4c25650e2f4cd99 [0,1,0,0,0,0|3,0,0]=4 1164 B11R1.4 COCCNCc1ccno1 e9f2437b95763ab568adaa974322cec3 [0,1,0,0,0,0|2,1,0]=4 1165 B11R1.4 COCCNCc1ccns1 9a0404be81ddbdd6c1ca0e4d5382a062 [0,1,0,0,0,0|2,0,0]=3 1166 B11R1.4 COCCNCc1ccoc1 2897bb321a698f16a6d87bd3a04096e7 [0,1,0,0,0,0|3,0,0]=4 1167 B11R1.4 COCCNCc1ccon1 f681f1d4e6f9c192f26080b25980c74c [0,1,0,0,0,0|3,0,0]=4 1168 B11R1.4 COCCNCc1ccsc1 541b35d2334b84a1d599839e5bcb03bc [0,1,0,0,0,0|3,0,0]=4 1169 B11R1.4 COCCNCc1ccsn1 f9f529fc3d3e40b2382c7ca93ad8c401 [0,1,0,0,0,0|3,0,0]=4 1170 B11R1.4 COCCNCc1cnc[nH]1 83ebd0cdfd4a3755bf5aeae748bb69d8 [0,1,0,0,0,0|3,0,0]=4 1171 B11R1.4 COCCNCc1cnco1 58211501de50da9edd0ab7f58dfd57ca [0,1,0,0,0,0|2,1,0]=4 1172 B11R1.4 COCCNCc1cncs1 6f4e82c5564ae55b2dc9c0d879f62453 [0,1,0,0,0,0|2,0,0]=3 1173 B11R1.4 COCCNCc1cocn1 dc4e0cda35f1a2a2004fe2204248002a [0,1,0,0,0,0|3,0,0]=4 1174 B11R1.4 COCCNCc1cscn1 90a031bf8e5e34407ab5457829bd049b [0,1,0,0,0,0|3,0,0]=4 1175 B11R1.4 COCCNCc1ncc[nH]1 693d6bf675ad1f3b9ccca1d325dae838 [0,1,0,0,0,0|3,0,0]=4 1176 B11R1.4 COCCNCc1ncco1 6058f48f2667fa5c9072b4bff8919b03 [0,1,0,0,0,0|2,1,0]=4 1177 B11R1.4 COCCNCc1nccs1 6ffc3ea34ca6d573446860ba8b3f6e20 [0,1,0,0,0,0|2,0,0]=3 1178 B11R1.4 COCCOCc1cc[nH]c1 642e078d891d98cb6df02afb6738b066 [0,1,0,0,0,0|3,0,0]=4 1179 B11R1.4 COCCOCc1ccc[nH]1 5ec658ee6d77dfc99d5a47486a1dea19 [0,1,0,0,0,0|2,0,0]=3 1180 B11R1.4 COCCOCc1ccco1 725e3ef2791da41304e32ce1e5b866bc [0,1,0,0,0,0|1,1,0]=3 1181 B11R1.4 COCCOCc1cccs1 f71d1903930bb151d95b050c4831fcdc [0,1,0,0,0,0|1,0,0]=2 1182 B11R1.4 COCCOCc1ccn[nH]1 b71c03f8b114d7f2315bc69cb87b7118 [0,1,0,0,0,0|3,0,0]=4 1183 B11R1.4 COCCOCc1ccno1 04a49b1ff288637c04d5e987dc82252a [0,1,0,0,0,0|2,1,0]=4 1184 B11R1.4 COCCOCc1ccns1 06158bd34a5baa7806c73c572a9d190f [0,1,0,0,0,0|2,0,0]=3 1185 B11R1.4 COCCOCc1ccoc1 8aa5b618d954632c161b50baf6b29d3e [0,1,0,0,0,0|3,0,0]=4 1186 B11R1.4 COCCOCc1ccon1 6bc163d9b89afb6d1840b71f910c27b7 [0,1,0,0,0,0|3,0,0]=4 1187 B11R1.4 COCCOCc1ccsc1 8f6fab02b5ace309a7ff01c05375888c [0,1,0,0,0,0|3,0,0]=4 1188 B11R1.4 COCCOCc1ccsn1 797c55451bef14213fe7342021de8adb [0,1,0,0,0,0|3,0,0]=4 1189 B11R1.4 COCCOCc1cnc[nH]1 ef41e008bd18cc7e10ecb4e917c122de [0,1,0,0,0,0|3,0,0]=4 1190 B11R1.4 COCCOCc1cnco1 47775f3ebd0d294eac7e8c543a3a992d [0,1,0,0,0,0|2,1,0]=4 1191 B11R1.4 COCCOCc1cncs1 f70ddc9974a126921c6e99fd65e057e0 [0,1,0,0,0,0|2,0,0]=3 1192 B11R1.4 COCCOCc1cocn1 1ebe54eb445f0966602b3edc41257e51 [0,1,0,0,0,0|3,0,0]=4 1193 B11R1.4 COCCOCc1cscn1 197719d3c45ddfc23c59e9170b5c9099 [0,1,0,0,0,0|3,0,0]=4 1194 B11R1.4 COCCOCc1ncc[nH]1 ae8be3b68de223cbe92a01aef24e5bf7 [0,1,0,0,0,0|3,0,0]=4 1195 B11R1.4 COCCOCc1ncco1 7dbb3f508d930a39573504b9fd1639fe [0,1,0,0,0,0|2,1,0]=4 1196 B11R1.4 COCCOCc1nccs1 fef8214473beec5abdc7d2c96e8b6011 [0,1,0,0,0,0|2,0,0]=3 1197 B11R1.4 COCCOCc1ncns1 b0f7e9dcf0941f3dd461221b3a9aa293 [0,1,0,0,0,0|3,0,0]=4 1198 B11R1.4 COCCOCn1cccn1 83d1703845e9794910cdbe9a443bb006 [0,1,0,0,0,0|3,0,0]=4 1199 B11R1.4 COCNCCc1c[nH]cn1 9a88dc6a2ab6a7d66ec9eddc40961899 [0,1,0,0,0,0|3,0,0]=4 1200 B11R1.4 COCNCCc1cc[nH]n1 9484c0628e37c9b1bb204e9671319856 [0,1,0,0,0,0|3,0,0]=4 1201 B11R1.4 COCNCCc1ccc[nH]1 38efdc886105d94cf9821aa71642e5c9 [0,1,0,0,0,0|2,0,0]=3 1202 B11R1.4 COCNCCc1ccco1 01716a3a6ad3af574182df1f09e586ab [0,1,0,0,0,0|1,1,0]=3 1203 B11R1.4 COCNCCc1cccs1 d1f55c6b770ea09a64354d1cdc6d63a9 [0,1,0,0,0,0|1,0,0]=2 1204 B11R1.4 COCNCCc1ccsc1 26515c6119bc9d848b06ede2a4bb45e5 [0,1,0,0,0,0|3,0,0]=4 1205 B11R1.4 COCNCCc1cscn1 9ddb058d3133772eae465b3afb4355f2 [0,1,0,0,0,0|3,0,0]=4 1206 B11R1.4 COCNCCc1ncc[nH]1 68183a48d70a05fd244b45fb47d70ab2 [0,1,0,0,0,0|3,0,0]=4 1207 B11R1.4 COCNCCc1nccs1 8510b6d5716b6b974f5cc6fd935ba933 [0,1,0,0,0,0|2,0,0]=3 1208 B11R1.4 COCNCCc1nncs1 e9ac51f1b3e83d05ae26c6d83511f42d [0,1,0,0,0,0|3,0,0]=4 1209 B11R1.4 COCNCCn1cccc1 d22a9761eeee22b4a29078b613183ad8 [0,1,0,0,0,0|3,0,0]=4 1210 B11R1.4 COCNCCn1cccn1 a25242bb6934c8d7661bf553a71bc711 [0,1,0,0,0,0|3,0,0]=4 1211 B11R1.4 COCOCCc1c[nH]cn1 6fcbe4c14c5ba24dfed665b43553ea94 [0,1,0,0,0,0|3,0,0]=4 1212 B11R1.4 COCOCCc1cc[nH]n1 f33687120d28bb79f94010257b59cc80 [0,1,0,0,0,0|3,0,0]=4 1213 B11R1.4 COCOCCc1ccc[nH]1 9728b75800dac484394c34a2d99089b0 [0,1,0,0,0,0|2,0,0]=3 1214 B11R1.4 COCOCCc1ccco1 f2f63f9f1bf1f51f1af61b5279480956 [0,1,0,0,0,0|1,1,0]=3 1215 B11R1.4 COCOCCc1cccs1 a9c4173df95f3fc4dfab58c1b2cb6458 [0,1,0,0,0,0|1,0,0]=2 1216 B11R1.4 COCOCCc1ccoc1 51b3dd371af199ca604991f5cf3a72ce [0,1,0,0,0,0|3,0,0]=4 1217 B11R1.4 COCOCCc1ccon1 da1d46e401acc2483ff3e4bf5d1f611f [0,1,0,0,0,0|3,0,0]=4 1218 B11R1.4 COCOCCc1ccsc1 58e1b514e5363b59740ca9634d97ea6c [0,1,0,0,0,0|3,0,0]=4 1219 B11R1.4 COCOCCc1cscn1 32aad87b43d535d694bc03e7078a2d6c [0,1,0,0,0,0|3,0,0]=4 1220 B11R1.4 COCOCCc1ncc[nH]1 5900081daad7747dfed539cfbb019144 [0,1,0,0,0,0|3,0,0]=4 1221 B11R1.4 COCOCCc1nccs1 5ecf62df0db05b6786b486805043e52c [0,1,0,0,0,0|2,0,0]=3 1222 B11R1.4 COCOCCn1cccc1 91d74a48c3113d6c5df58c1ef0479a01 [0,1,0,0,0,0|3,0,0]=4 1223 B11R1.4 COCOCCn1cccn1 22aec0e3ad6b23a7561694347c485094 [0,1,0,0,0,0|3,0,0]=4 1224 B11R1.4 CSCCCNc1c[nH]cn1 8ef70c9b07767162fc03a9dab8f5a750 [0,1,0,0,0,0|3,0,0]=4 1225 B11R1.4 CSCCCNc1cc[nH]n1 4c86a1dc07ce06b61ba351efb89a37ce [0,1,0,0,0,0|3,0,0]=4 1226 B11R1.4 CSCCCNc1ccco1 223703238a745a139187ced906fbfa6e [0,1,0,0,0,0|1,1,0]=3 1227 B11R1.4 CSCCCNc1cccs1 7047ab441ce8681f3f802adb99adf1d4 [0,1,0,0,0,0|1,0,0]=2 1228 B11R1.4 CSCCCNc1ccno1 4f96b34f03364fbe46d3a86a6cb960fc [0,1,0,0,0,0|2,1,0]=4 1229 B11R1.4 CSCCCNc1ccns1 6f3abcd621751b69eba33385b29cf7e1 [0,1,0,0,0,0|2,0,0]=3 1230 B11R1.4 CSCCCNc1ccoc1 2fedea1604e6d299476007ddb7de1b1e [0,1,0,0,0,0|3,0,0]=4 1231 B11R1.4 CSCCCNc1ccon1 3a88c799939e0de8e3ebf25afad2d678 [0,1,0,0,0,0|3,0,0]=4 1232 B11R1.4 CSCCCNc1ccsc1 b3c2acf3d8f35348b19107c842963b14 [0,1,0,0,0,0|3,0,0]=4 1233 B11R1.4 CSCCCNc1cncs1 b2d757ce03aa8b8f4cf256a9a115ef71 [0,1,0,0,0,0|2,0,0]=3 1234 B11R1.4 CSCCCNc1cnns1 06248b99b9e5827abc38efe35edc0705 [0,1,0,0,0,0|3,0,0]=4 1235 B11R1.4 CSCCCNc1cocn1 13c2cb5dea049697dd8674e2fc7dcfdf [0,1,0,0,0,0|3,0,0]=4 1236 B11R1.4 CSCCCNc1cscn1 c514e83be8d58cdb55d6a28d29de0b22 [0,1,0,0,0,0|3,0,0]=4 1237 B11R1.4 CSCCCNc1ncc[nH]1 ffb3d214f99237f6f1ffe4967edad9d1 [0,1,0,0,0,0|3,0,0]=4 1238 B11R1.4 CSCCCNc1ncco1 4f36d93c87f185c5cd23840a68aea376 [0,1,0,0,0,0|2,1,0]=4 1239 B11R1.4 CSCCCNc1nccs1 7ec61843ed45935aeeea825a53c37116 [0,1,0,0,0,0|2,0,0]=3 1240 B11R1.4 CSCCCNc1ncns1 3e4ae3fa6083e3859c9c9c7ce219cadf [0,1,0,0,0,0|3,0,0]=4 1241 B11R1.4 CSCCCNc1nncs1 ab00d7806ba1e49bc496396b8cf2ddfc [0,1,0,0,0,0|3,0,0]=4 1242 B11R1.4 CSCCCOc1c[nH]cn1 bf9a4caed1a4bcc29617d389401cb31d [0,1,0,0,0,0|3,0,0]=4 1243 B11R1.4 CSCCCOc1ccco1 e2133051d839d99bbaa38e4710539e4b [0,1,0,0,0,0|1,1,0]=3 1244 B11R1.4 CSCCCOc1cccs1 ffdb55b785cf0e61a2599e679c479d0c [0,1,0,0,0,0|1,0,0]=2 1245 B11R1.4 CSCCCOc1ccn[nH]1 c21973582b3073b314dca9c0d64a636c [0,1,0,0,0,0|3,0,0]=4 1246 B11R1.4 CSCCCOc1ccsc1 dadd93741486f40343b6f812952a1972 [0,1,0,0,0,0|3,0,0]=4 1247 B11R1.4 CSCCCOc1nccs1 4d1b721a162cdfb0d6d1bc7d5f1242da [0,1,0,0,0,0|2,0,0]=3 1248 B11R1.4 CSCCCOc1nncs1 c60c1c694113b5eaa9f84a9f3c6d41af [0,1,0,0,0,0|3,0,0]=4 1249 B11R1.4 CSCCCOn1cccn1 a195c1fb37b5b726a24ed682f340ef27 [0,1,0,0,0,0|3,0,0]=4 1250 B11R1.4 CSCCNCc1cc[nH]c1 d5ef17bb9afd3a8e726462c7cdf12c0d [0,1,0,0,0,0|3,0,0]=4 1251 B11R1.4 CSCCNCc1ccc[nH]1 663c165ee784e75651acb378068d177c [0,1,0,0,0,0|2,0,0]=3 1252 B11R1.4 CSCCNCc1ccco1 42df10d55abb408d0ad366e0a0c4708d [0,1,0,0,0,0|1,1,0]=3 1253 B11R1.4 CSCCNCc1cccs1 406001f20844c09468e0ec14fbbb7d49 [0,1,0,0,0,0|1,0,0]=2 1254 B11R1.4 CSCCNCc1ccn[nH]1 71bac3de32b7976f9150c8c016ef825b [0,1,0,0,0,0|3,0,0]=4 1255 B11R1.4 CSCCNCc1ccno1 3b8c94cc19d75ce1db9850b15cb49dd7 [0,1,0,0,0,0|2,1,0]=4 1256 B11R1.4 CSCCNCc1ccns1 71edb3d4541b279cd153dbb5913dec1f [0,1,0,0,0,0|2,0,0]=3 1257 B11R1.4 CSCCNCc1ccoc1 59d8d440416ef1a9141a5bd2a2a0e524 [0,1,0,0,0,0|3,0,0]=4 1258 B11R1.4 CSCCNCc1ccon1 43f31b4a05d89b0863e7a8e145e047e9 [0,1,0,0,0,0|3,0,0]=4 1259 B11R1.4 CSCCNCc1ccsc1 e44cf78862996290bed04b8bceabc28e [0,1,0,0,0,0|3,0,0]=4 1260 B11R1.4 CSCCNCc1ccsn1 970d37899290358dac9e0db3aa72e01c [0,1,0,0,0,0|3,0,0]=4 1261 B11R1.4 CSCCNCc1cnc[nH]1 53d8c518ba72402352e3d7d4513d8c87 [0,1,0,0,0,0|3,0,0]=4 1262 B11R1.4 CSCCNCc1cnco1 9383338af970f3a50b162a3600a2e30c [0,1,0,0,0,0|2,1,0]=4 1263 B11R1.4 CSCCNCc1cncs1 112af5a06d50c1987d1b9f5fef0360fd [0,1,0,0,0,0|2,0,0]=3 1264 B11R1.4 CSCCNCc1cocn1 2bab9be8b3078f26deb70851bbc149ba [0,1,0,0,0,0|3,0,0]=4 1265 B11R1.4 CSCCNCc1cscn1 312c796d6d166ce45c9de65a1c9285d3 [0,1,0,0,0,0|3,0,0]=4 1266 B11R1.4 CSCCNCc1ncc[nH]1 323c9dfc43f7927d903de4315b621d9f [0,1,0,0,0,0|3,0,0]=4 1267 B11R1.4 CSCCNCc1ncco1 3824395e3f7c405a1e18c0dfe69c5d55 [0,1,0,0,0,0|2,1,0]=4 1268 B11R1.4 CSCCNCc1nccs1 522f5bf693ceae7f2e385201a49f5db9 [0,1,0,0,0,0|2,0,0]=3 1269 B11R1.4 CSCCOCc1cc[nH]c1 08fea5e015c4a3d04cbe6b565e712060 [0,1,0,0,0,0|3,0,0]=4 1270 B11R1.4 CSCCOCc1ccc[nH]1 6905b6bd351b8c08d76ceed74f76249a [0,1,0,0,0,0|2,0,0]=3 1271 B11R1.4 CSCCOCc1ccco1 eac04375621a34591b4b2bb2707e69f4 [0,1,0,0,0,0|1,1,0]=3 1272 B11R1.4 CSCCOCc1cccs1 27fe4247bee9a12769bf2086a28cd033 [0,1,0,0,0,0|1,0,0]=2 1273 B11R1.4 CSCCOCc1ccn[nH]1 3b91a41e6f6741a24e3f0e27b4be9096 [0,1,0,0,0,0|3,0,0]=4 1274 B11R1.4 CSCCOCc1ccno1 305fda2fa1b135b1f3864940fa012878 [0,1,0,0,0,0|2,1,0]=4 1275 B11R1.4 CSCCOCc1ccns1 ed0cf9ae7c16cef44d358a3e60dc997e [0,1,0,0,0,0|2,0,0]=3 1276 B11R1.4 CSCCOCc1ccoc1 cd55e314581ad3093df73b5d4f73731c [0,1,0,0,0,0|3,0,0]=4 1277 B11R1.4 CSCCOCc1ccon1 26e003bbc3be80d07c65c5181d2f7f53 [0,1,0,0,0,0|3,0,0]=4 1278 B11R1.4 CSCCOCc1ccsc1 861aaddf20053ff3e3279bae84ce3a94 [0,1,0,0,0,0|3,0,0]=4 1279 B11R1.4 CSCCOCc1ccsn1 0160342dc999b38781627aaa12560333 [0,1,0,0,0,0|3,0,0]=4 1280 B11R1.4 CSCCOCc1cnc[nH]1 ffab315e1fb45959726ec4591d516540 [0,1,0,0,0,0|3,0,0]=4 1281 B11R1.4 CSCCOCc1cnco1 7d247dd9cb5ef49a8e725d69cbdab3e7 [0,1,0,0,0,0|2,1,0]=4 1282 B11R1.4 CSCCOCc1cncs1 9cf3c8138cfbc127d0b96f1911d94452 [0,1,0,0,0,0|2,0,0]=3 1283 B11R1.4 CSCCOCc1cocn1 68f39ec0ec8508b531d4f85927c8ec84 [0,1,0,0,0,0|3,0,0]=4 1284 B11R1.4 CSCCOCc1cscn1 e0a714db992b49a6c059079210f1a199 [0,1,0,0,0,0|3,0,0]=4 1285 B11R1.4 CSCCOCc1ncc[nH]1 d6b2553b7cfb43eb92ead8aca44ae2ca [0,1,0,0,0,0|3,0,0]=4 1286 B11R1.4 CSCCOCc1ncco1 59fe839471d2f2fe036614bfbdc9066c [0,1,0,0,0,0|2,1,0]=4 1287 B11R1.4 CSCCOCc1nccs1 b1478b5a01c582993aeb9801545101d7 [0,1,0,0,0,0|2,0,0]=3 1288 B11R1.4 CSCCOCc1ncns1 2ad79d152089d92ad38753d27f09f3bf [0,1,0,0,0,0|3,0,0]=4 1289 B11R1.4 CSCCOCn1cccn1 746ddeae327f051ba9dcf6a706abafc6 [0,1,0,0,0,0|3,0,0]=4 1290 B11R1.4 CSCNCCc1c[nH]cn1 56f9e493a17ecc4a3ecb62ef095ebc2b [0,1,0,0,0,0|3,0,0]=4 1291 B11R1.4 CSCNCCc1cc[nH]n1 aa32549179241789f07f4f9ffcbaa47b [0,1,0,0,0,0|3,0,0]=4 1292 B11R1.4 CSCNCCc1ccc[nH]1 f3ac006640e0c931018b79c4194d9e5a [0,1,0,0,0,0|2,0,0]=3 1293 B11R1.4 CSCNCCc1ccco1 955d7527c9b30b0eeb00d78c8d1ca80c [0,1,0,0,0,0|1,1,0]=3 1294 B11R1.4 CSCNCCc1cccs1 29f01b51043bdd08be9a0bb27c5d1ce4 [0,1,0,0,0,0|1,0,0]=2 1295 B11R1.4 CSCNCCc1ccsc1 108cbe713a53259557996461f775d07a [0,1,0,0,0,0|3,0,0]=4 1296 B11R1.4 CSCNCCc1cscn1 f8617fb3fb5d1e106eb147ff88d0301c [0,1,0,0,0,0|3,0,0]=4 1297 B11R1.4 CSCNCCc1ncc[nH]1 2f0b39dec906f7935c8f6724b51095b8 [0,1,0,0,0,0|3,0,0]=4 1298 B11R1.4 CSCNCCc1nccs1 4d7e8f209871747c1602274e12e10cab [0,1,0,0,0,0|2,0,0]=3 1299 B11R1.4 CSCNCCc1nncs1 f19bd898a42ec3a2777fecd92bc86bf1 [0,1,0,0,0,0|3,0,0]=4 1300 B11R1.4 CSCNCCn1cccc1 7f40b2f31e24ef499f5c1964404d60be [0,1,0,0,0,0|3,0,0]=4 1301 B11R1.4 CSCNCCn1cccn1 11a0a5a06c84f4d25247702961413a38 [0,1,0,0,0,0|3,0,0]=4 1302 B11R1.4 CSCOCCc1c[nH]cn1 28ba63414b90c4d86f11fd807bc57da2 [0,1,0,0,0,0|3,0,0]=4 1303 B11R1.4 CSCOCCc1cc[nH]n1 8fdcf7c58988900958dfe78666b91aa4 [0,1,0,0,0,0|3,0,0]=4 1304 B11R1.4 CSCOCCc1ccc[nH]1 a44acba0819df33cad3b4edc3b253b87 [0,1,0,0,0,0|2,0,0]=3 1305 B11R1.4 CSCOCCc1ccco1 8dea1195639a3e1bcc76e392ed019f61 [0,1,0,0,0,0|1,1,0]=3 1306 B11R1.4 CSCOCCc1cccs1 128babf07c40198c5238350227e4de19 [0,1,0,0,0,0|1,0,0]=2 1307 B11R1.4 CSCOCCc1ccoc1 0c66f31bd56d8b072f17dd2757b61fa2 [0,1,0,0,0,0|3,0,0]=4 1308 B11R1.4 CSCOCCc1ccon1 dd074217dfdae31156166346c3a65e71 [0,1,0,0,0,0|3,0,0]=4 1309 B11R1.4 CSCOCCc1ccsc1 50095dc198c6dc0f5dd2f7fb06a0b813 [0,1,0,0,0,0|3,0,0]=4 1310 B11R1.4 CSCOCCc1cscn1 195966d4f536840856634de95de788ee [0,1,0,0,0,0|3,0,0]=4 1311 B11R1.4 CSCOCCc1ncc[nH]1 020ded2b61e5f3711418ab7d9e42666d [0,1,0,0,0,0|3,0,0]=4 1312 B11R1.4 CSCOCCc1nccs1 4bb757923ca214e4211101fcdb1f4fbf [0,1,0,0,0,0|2,0,0]=3 1313 B11R1.4 CSCOCCn1cccc1 a3c24f899e7082a5a6a6c17585823d17 [0,1,0,0,0,0|3,0,0]=4 1314 B11R1.4 CSCOCCn1cccn1 760b60622bfea01a03c6ee78c49ae8ae [0,1,0,0,0,0|3,0,0]=4 1315 B11R1.4 Cl/C=C/CNCc1cccs1 a25b18b791d1982c9700f739a4f4f0a0 [0,1,0,0,0,0|1,0,2]=4 1316 B11R1.4 Cl/C=C/COCc1cccs1 5e01fe6820562d88bdcad2fa912d8ad9 [0,1,0,0,0,0|1,0,2]=4 1317 B11R1.4 Cl/C=C\CNCc1cccs1 69a529034fe8a7ae06825b38d49c113a [0,1,0,0,0,0|1,0,2]=4 1318 B11R1.4 Cl/C=C\COCc1cccs1 413ed78e4fa12251b59bcd941fdc55e4 [0,1,0,0,0,0|1,0,2]=4 1319 B11R1.4 ClC=CCOCc1cccs1 6b88b63b4d3d32122d826b818f4cfeb6 [0,1,0,0,0,0|1,0,2]=4 1320 B11R1.4 ClCCCCNc1c[nH]cn1 977c7cbcbfdb02986b69e0b912153ad9 [0,1,0,0,0,0|3,0,0]=4 1321 B11R1.4 ClCCCCNc1cc[nH]n1 ae00b2b6913d6462450ea55436ffff77 [0,1,0,0,0,0|3,0,0]=4 1322 B11R1.4 ClCCCCNc1ccco1 4f6047e8053e4ca5b20756d4602d7b57 [0,1,0,0,0,0|1,1,0]=3 1323 B11R1.4 ClCCCCNc1cccs1 6b3f2c92909060f20e07e192b348e7ff [0,1,0,0,0,0|1,0,0]=2 1324 B11R1.4 ClCCCCNc1ccno1 e0105117abd2b13613fdd1a4ff59e8c8 [0,1,0,0,0,0|2,1,0]=4 1325 B11R1.4 ClCCCCNc1ccns1 2a2f1c1e9355116f7b487bcf01b0b2bc [0,1,0,0,0,0|2,0,0]=3 1326 B11R1.4 ClCCCCNc1ccoc1 771cbc91e9831047a3b4b5849879de18 [0,1,0,0,0,0|3,0,0]=4 1327 B11R1.4 ClCCCCNc1ccon1 bdf06c79831f778a94c5f6671e0db85f [0,1,0,0,0,0|3,0,0]=4 1328 B11R1.4 ClCCCCNc1ccsc1 5e59622f571d768b86af2240cee65364 [0,1,0,0,0,0|3,0,0]=4 1329 B11R1.4 ClCCCCNc1ccsn1 5714b87c811bfd9992dfcaca69dddb68 [0,1,0,0,0,0|3,0,0]=4 1330 B11R1.4 ClCCCCNc1cncs1 1caae922d2ce7593e5baf9214e048214 [0,1,0,0,0,0|2,0,0]=3 1331 B11R1.4 ClCCCCNc1cocn1 c65e7ed7c4920883aa7f1c7cff9e2cd9 [0,1,0,0,0,0|3,0,0]=4 1332 B11R1.4 ClCCCCNc1cscn1 604b46cb139878ab65924ec362f02518 [0,1,0,0,0,0|3,0,0]=4 1333 B11R1.4 ClCCCCNc1ncc[nH]1 49c1fd38f96c4d31727301734cbcaf00 [0,1,0,0,0,0|3,0,0]=4 1334 B11R1.4 ClCCCCNc1ncco1 72a7d5310ba6c76a178f7a4f21ce07bd [0,1,0,0,0,0|2,1,0]=4 1335 B11R1.4 ClCCCCNc1nccs1 0a85a337d821f4718f993f92463dab95 [0,1,0,0,0,0|2,0,0]=3 1336 B11R1.4 ClCCCCNc1ncns1 d7e70bf8be1870c15be1c3a10a64519f [0,1,0,0,0,0|3,0,0]=4 1337 B11R1.4 ClCCCNCc1ccco1 d4243492a69efa66f1e7fb6a77308e50 [0,1,0,0,0,0|1,1,0]=3 1338 B11R1.4 ClCCCNCc1cccs1 22325fc75e412ffdabfb9058e1260a45 [0,1,0,0,0,0|1,0,0]=2 1339 B11R1.4 ClCCCNCc1ccno1 54aac38355701b2d1fb784742c34d5c7 [0,1,0,0,0,0|2,1,0]=4 1340 B11R1.4 ClCCCNCc1ccon1 5dae4f5d57345c0a2dec8f9f02e9ec35 [0,1,0,0,0,0|3,0,0]=4 1341 B11R1.4 ClCCCNCc1ccsc1 a8486adc4bf73826c2ab1ff68a9c9b33 [0,1,0,0,0,0|3,0,0]=4 1342 B11R1.4 ClCCCNCc1cnc[nH]1 b0f79f47e4fc8570cffc4f105a87066b [0,1,0,0,0,0|3,0,0]=4 1343 B11R1.4 ClCCCNCc1cnco1 177366fcb4eaff88bfc1fc14cdbc257c [0,1,0,0,0,0|2,1,0]=4 1344 B11R1.4 ClCCCNCc1cocn1 d17ded16426ed87da5bbadd7a29ed513 [0,1,0,0,0,0|3,0,0]=4 1345 B11R1.4 ClCCCNCc1cscn1 efcbc2c04551947b8a012bb7bc8e3292 [0,1,0,0,0,0|3,0,0]=4 1346 B11R1.4 ClCCCNCc1ncc[nH]1 2fa8a0ac7c465a7c3c2acb2af6b10837 [0,1,0,0,0,0|3,0,0]=4 1347 B11R1.4 ClCCCNCc1ncco1 0ba4f86ac9a859f062b05e13a10c9beb [0,1,0,0,0,0|2,1,0]=4 1348 B11R1.4 ClCCCNCc1nccs1 4efebe5068c8828907e39fdc24441893 [0,1,0,0,0,0|2,0,0]=3 1349 B11R1.4 FCCCCCN1CC=CC1 6ed5bbb0743d60b4143a85be4fe8079a [0,1,0,0,0,0|2,0,1]=4 1350 B11R1.4 FCCCCNc1cc[nH]n1 655bf583735f0b873b70683002c0c3d9 [0,1,0,0,0,0|3,0,0]=4 1351 B11R1.4 FCCCCNc1cccs1 10178c144a22aa3cb2dc580b04173624 [0,1,0,0,0,0|1,0,0]=2 1352 B11R1.4 FCCCCNc1ccno1 1839faf632d602ce589bc8362e7cf5cf [0,1,0,0,0,0|2,1,0]=4 1353 B11R1.4 FCCCCNc1ccns1 72d05b2d6220cd4e965343b3c06f14f2 [0,1,0,0,0,0|2,0,0]=3 1354 B11R1.4 FCCCCNc1ccon1 8d6617fffe1f1916ab9a0d1731f3a84f [0,1,0,0,0,0|3,0,0]=4 1355 B11R1.4 FCCCCNc1ccsc1 190388be255589a76c0c42805309b035 [0,1,0,0,0,0|3,0,0]=4 1356 B11R1.4 FCCCCNc1cncs1 3da7ee406e4e349824fd7e34979de85c [0,1,0,0,0,0|2,0,0]=3 1357 B11R1.4 FCCCCNc1cnns1 5b0ce926b6a38ff9c7341d4c65e2bffb [0,1,0,0,0,0|3,0,0]=4 1358 B11R1.4 FCCCCNc1cocn1 3e87d0840e20cbe17615e18b644bc753 [0,1,0,0,0,0|3,0,0]=4 1359 B11R1.4 FCCCCNc1cscn1 1d6419b41df4785b4d5926eebff0c64b [0,1,0,0,0,0|3,0,0]=4 1360 B11R1.4 FCCCCNc1ncc[nH]1 79bd6154041d1b1156c4e1212d1016c8 [0,1,0,0,0,0|3,0,0]=4 1361 B11R1.4 FCCCCNc1ncco1 a65493e8220391156b57a92c3bfc5c18 [0,1,0,0,0,0|2,1,0]=4 1362 B11R1.4 FCCCCNc1nccs1 c9bae48c01a5c08c98409ab73a55535e [0,1,0,0,0,0|2,0,0]=3 1363 B11R1.4 FCCCCNc1ncns1 d68bb1506cb58ccf01a06cee6760fff0 [0,1,0,0,0,0|3,0,0]=4 1364 B11R1.4 FCCCCNc1nncs1 e70b4deccdd7b7f7074d5156b4c81173 [0,1,0,0,0,0|3,0,0]=4 1365 B11R1.4 FCCCCOc1c[nH]cn1 bff215c37c07e48a6bc1af5702f68aee [0,1,0,0,0,0|3,0,0]=4 1366 B11R1.4 FCCCCOc1ccco1 3b5c1d18672ef37f9a77a1d4822c80a3 [0,1,0,0,0,0|1,1,0]=3 1367 B11R1.4 FCCCCOc1cccs1 df311f8707202d078f51aecc58b1dd60 [0,1,0,0,0,0|1,0,0]=2 1368 B11R1.4 FCCCCOc1ccn[nH]1 bcf00ac15ebe326aa5c23ba138e1c449 [0,1,0,0,0,0|3,0,0]=4 1369 B11R1.4 FCCCCOc1ccsc1 694031f572054149f8c6174bd3298b91 [0,1,0,0,0,0|3,0,0]=4 1370 B11R1.4 FCCCCOc1nccs1 b4afce47a27856f4ccf7d36f59c17f79 [0,1,0,0,0,0|2,0,0]=3 1371 B11R1.4 FCCCCOc1nncs1 2aab0e9750fdc8a469758bfacc171bf9 [0,1,0,0,0,0|3,0,0]=4 1372 B11R1.4 FCCCCOn1cccn1 900f5bade9e01f09e5275c13f7bc75bc [0,1,0,0,0,0|3,0,0]=4 1373 B11R1.4 FCCCNCc1cc[nH]c1 d89bb3ca0c0b8cd4633fff512e6b00a4 [0,1,0,0,0,0|3,0,0]=4 1374 B11R1.4 FCCCNCc1ccc[nH]1 4afa2badc34d7dc38016e5d484a753fc [0,1,0,0,0,0|2,0,0]=3 1375 B11R1.4 FCCCNCc1ccco1 836b8bdb852f84cab6130efd98b98b93 [0,1,0,0,0,0|1,1,0]=3 1376 B11R1.4 FCCCNCc1cccs1 5a3b72d0c0f17fbc792f26a7cc009d2a [0,1,0,0,0,0|1,0,0]=2 1377 B11R1.4 FCCCNCc1ccn[nH]1 c3ad3b0700a40c525286d32c6aa7f54b [0,1,0,0,0,0|3,0,0]=4 1378 B11R1.4 FCCCNCc1ccno1 ee9429da9ce475e71fec76e36df79de5 [0,1,0,0,0,0|2,1,0]=4 1379 B11R1.4 FCCCNCc1ccns1 baf823bb354438e38cbfd778a10859d4 [0,1,0,0,0,0|2,0,0]=3 1380 B11R1.4 FCCCNCc1ccoc1 31040cbd62b6f16134c1f6f037b48edd [0,1,0,0,0,0|3,0,0]=4 1381 B11R1.4 FCCCNCc1ccon1 5d6656edec6e1bce5923ca532bb9ed42 [0,1,0,0,0,0|3,0,0]=4 1382 B11R1.4 FCCCNCc1ccsc1 0e667941d81b2c39210021d5612ef6f1 [0,1,0,0,0,0|3,0,0]=4 1383 B11R1.4 FCCCNCc1ccsn1 65f57459a2a08d2a77e159568c103580 [0,1,0,0,0,0|3,0,0]=4 1384 B11R1.4 FCCCNCc1cnco1 9d0614109b92fddc24604621065f608e [0,1,0,0,0,0|2,1,0]=4 1385 B11R1.4 FCCCNCc1cncs1 291c42bb3e8b510b662ea44b085fec62 [0,1,0,0,0,0|2,0,0]=3 1386 B11R1.4 FCCCNCc1cocn1 415240196d3a8bb73d39942b4922e0a7 [0,1,0,0,0,0|3,0,0]=4 1387 B11R1.4 FCCCNCc1cscn1 94cc349ac3fc08e83642f05a57280f39 [0,1,0,0,0,0|3,0,0]=4 1388 B11R1.4 FCCCNCc1ncc[nH]1 eb23ce5ecd79185c26c173c3119077f5 [0,1,0,0,0,0|3,0,0]=4 1389 B11R1.4 FCCCNCc1ncco1 e9fed45dee39b4aed30c895807c03237 [0,1,0,0,0,0|2,1,0]=4 1390 B11R1.4 FCCCNCc1nccs1 68404319bc6a5616190dfa98fdf1d499 [0,1,0,0,0,0|2,0,0]=3 1391 B11R1.4 FCCCOCc1cc[nH]c1 e41a875131265e995f4be0f3ee25202e [0,1,0,0,0,0|3,0,0]=4 1392 B11R1.4 FCCCOCc1ccc[nH]1 69719709fe965e96bece65accc09f13e [0,1,0,0,0,0|2,0,0]=3 1393 B11R1.4 FCCCOCc1ccco1 94372377083fec1a5603bb5c43f9ac14 [0,1,0,0,0,0|1,1,0]=3 1394 B11R1.4 FCCCOCc1cccs1 c4749abd0338e9b64bcf0fe4bd81b1a6 [0,1,0,0,0,0|1,0,0]=2 1395 B11R1.4 FCCCOCc1ccn[nH]1 9dbf0d5bda195f66a76968a954cf53b4 [0,1,0,0,0,0|3,0,0]=4 1396 B11R1.4 FCCCOCc1ccno1 20aface32d52bb8c0896fbc96b1d6d66 [0,1,0,0,0,0|2,1,0]=4 1397 B11R1.4 FCCCOCc1ccns1 1ff1b17aa119f5213bd5c8bae094434f [0,1,0,0,0,0|2,0,0]=3 1398 B11R1.4 FCCCOCc1ccoc1 5a0d690f493bdb49f3af3b903502941a [0,1,0,0,0,0|3,0,0]=4 1399 B11R1.4 FCCCOCc1ccon1 1baf703b9ad0d7fb2e02916ff623436f [0,1,0,0,0,0|3,0,0]=4 1400 B11R1.4 FCCCOCc1ccsc1 efc33fc4d228e4142cdf14948c66e0ec [0,1,0,0,0,0|3,0,0]=4 1401 B11R1.4 FCCCOCc1ccsn1 3327e9c7fde236537619b48a5c3d39da [0,1,0,0,0,0|3,0,0]=4 1402 B11R1.4 FCCCOCc1cnc[nH]1 3d51614e2c78769e8a5b4607881895c5 [0,1,0,0,0,0|3,0,0]=4 1403 B11R1.4 FCCCOCc1cnco1 d3765db45e0a780a4142a375ca6456a3 [0,1,0,0,0,0|2,1,0]=4 1404 B11R1.4 FCCCOCc1cncs1 ebb22044b845ee44381ad5e6b0535821 [0,1,0,0,0,0|2,0,0]=3 1405 B11R1.4 FCCCOCc1cocn1 e273dfb1424fc8b7d95d8f19becce176 [0,1,0,0,0,0|3,0,0]=4 1406 B11R1.4 FCCCOCc1cscn1 b0b445903642dbfddcf11cde194c3f42 [0,1,0,0,0,0|3,0,0]=4 1407 B11R1.4 FCCCOCc1ncc[nH]1 6f550c1aa59ec4dddf7912445346e50b [0,1,0,0,0,0|3,0,0]=4 1408 B11R1.4 FCCCOCc1ncco1 f626ea96f2bec2b7766ad43be1858b55 [0,1,0,0,0,0|2,1,0]=4 1409 B11R1.4 FCCCOCc1nccs1 575b17e44ad85c72d57b17b33c10b9aa [0,1,0,0,0,0|2,0,0]=3 1410 B11R1.4 FCCCOCc1ncns1 d12fa5c55ea9af0bb33baf670d4fefda [0,1,0,0,0,0|3,0,0]=4 1411 B11R1.4 FCCCOCn1cccn1 29adc29552ee0be4d1a7868e1a064a1d [0,1,0,0,0,0|3,0,0]=4 1412 B11R1.4 FCCNCCc1c[nH]cn1 c04262d71458490a6630e23e9511a295 [0,1,0,0,0,0|3,0,0]=4 1413 B11R1.4 FCCNCCc1cc[nH]n1 6c9ec946eec10a2fc1d47fff3ddb4e8a [0,1,0,0,0,0|3,0,0]=4 1414 B11R1.4 FCCNCCc1ccc[nH]1 4515e817818d93201484ee7633d8f6e3 [0,1,0,0,0,0|2,0,0]=3 1415 B11R1.4 FCCNCCc1ccco1 bbe974173ff688a990c92e6cecdfca9b [0,1,0,0,0,0|1,1,0]=3 1416 B11R1.4 FCCNCCc1cccs1 75482361be701a299fcc5bd6a1a0b494 [0,1,0,0,0,0|1,0,0]=2 1417 B11R1.4 FCCNCCc1ccsc1 aa3933d06339128561ef2b306ff9a7e9 [0,1,0,0,0,0|3,0,0]=4 1418 B11R1.4 FCCNCCc1cscn1 cb6d17bf0c5768e752d1b39c5818322b [0,1,0,0,0,0|3,0,0]=4 1419 B11R1.4 FCCNCCc1ncc[nH]1 df706bef82294e8b7adea96a76ee4186 [0,1,0,0,0,0|3,0,0]=4 1420 B11R1.4 FCCNCCc1nccs1 c952cbc949ceaac58f85cb929c6091b5 [0,1,0,0,0,0|2,0,0]=3 1421 B11R1.4 FCCNCCc1nncs1 d58bc9ed412f8af6827fa473e02bfdeb [0,1,0,0,0,0|3,0,0]=4 1422 B11R1.4 FCCNCCn1cccc1 53cc2a82b193eff4c1a7734a4d67b39e [0,1,0,0,0,0|3,0,0]=4 1423 B11R1.4 FCCNCCn1cccn1 72172785bcb5ff7cf916915e0a36e0d4 [0,1,0,0,0,0|3,0,0]=4 1424 B11R1.4 FCCOCCc1c[nH]cn1 026cd78d47398ff87f3accfb46124d4e [0,1,0,0,0,0|3,0,0]=4 1425 B11R1.4 FCCOCCc1cc[nH]n1 be898b1bbc26608f6791d658ad1601bf [0,1,0,0,0,0|3,0,0]=4 1426 B11R1.4 FCCOCCc1ccc[nH]1 f2f71f956c17e1cfce870a3440e61c15 [0,1,0,0,0,0|2,0,0]=3 1427 B11R1.4 FCCOCCc1ccco1 5e5e15a1764c722df3073dcf518946b1 [0,1,0,0,0,0|1,1,0]=3 1428 B11R1.4 FCCOCCc1cccs1 438258edc4e36e8c0b4f384531b9d94e [0,1,0,0,0,0|1,0,0]=2 1429 B11R1.4 FCCOCCc1ccoc1 e73706a1be5772d6d3a0b68ab617c993 [0,1,0,0,0,0|3,0,0]=4 1430 B11R1.4 FCCOCCc1ccon1 0776fbb2834a60a542931354f938a024 [0,1,0,0,0,0|3,0,0]=4 1431 B11R1.4 FCCOCCc1ccsc1 d12d940e9620a9cdf1911b2a5fb4c4a2 [0,1,0,0,0,0|3,0,0]=4 1432 B11R1.4 FCCOCCc1cscn1 a6c5ea155c25ff5357e165113da8889e [0,1,0,0,0,0|3,0,0]=4 1433 B11R1.4 FCCOCCc1ncc[nH]1 8cf732c276f10d0d941f4252b66e78b2 [0,1,0,0,0,0|3,0,0]=4 1434 B11R1.4 FCCOCCc1nccs1 9c496ea264999b5857cb43c622f09778 [0,1,0,0,0,0|2,0,0]=3 1435 B11R1.4 FCCOCCn1cccc1 9945f333f9bce052879f87ec3e91bee2 [0,1,0,0,0,0|3,0,0]=4 1436 B11R1.4 FCCOCCn1cccn1 1876b234033d761b40af321c3bb8fa93 [0,1,0,0,0,0|3,0,0]=4 1437 B11R1.4 FCNCCCc1c[nH]cn1 c47cc90906cf9e1490932036c30bbce2 [0,1,0,0,0,0|3,0,0]=4 1438 B11R1.4 FCNCCCc1ccco1 bfc44031b7a1395ee9f41bbfb06de8cc [0,1,0,0,0,0|1,1,0]=3 1439 B11R1.4 FCNCCCc1ncc[nH]1 c7cd56645534d5c0ff51ead75751f154 [0,1,0,0,0,0|3,0,0]=4 1440 B11R1.4 FCNCCCn1cccc1 00b0405c927ee380fde23766c7808c8b [0,1,0,0,0,0|3,0,0]=4 1441 B11R1.4 FCNCCCn1cccn1 64b29de7a960e81fd8c7997988be6f8e [0,1,0,0,0,0|3,0,0]=4 1442 B11R1.4 FCOCCCc1ccco1 ed76e12af137d43613d1af14dec05e88 [0,1,0,0,0,0|1,1,0]=3 1443 B11R1.4 FCOCCCc1cccs1 738559239cbdf8bb6496fa38443c6368 [0,1,0,0,0,0|1,0,0]=2 1444 B11R1.4 FCOCCCc1ccsc1 2323e903b4d1e0dac82ea6ccf588daf2 [0,1,0,0,0,0|3,0,0]=4 1445 B11R1.4 FCOCCCc1cnc[nH]1 1753a4e28ba19d8e97dc01f629b1f62f [0,1,0,0,0,0|3,0,0]=4 1446 B11R1.4 FCOCCCn1cccc1 99d7f0eca5cba0e89962674474d9f17c [0,1,0,0,0,0|3,0,0]=4 1447 B11R1.4 FCOCCCn1cccn1 b79ea996d784f81c4f9b11aa79adc0b2 [0,1,0,0,0,0|3,0,0]=4 1448 B11R1.4 IC#CCOCc1cccs1 d05f6bcbe0d509ce2d254c9df627a059 [0,1,0,0,0,0|1,0,2]=4 1449 B11R1.4 ICCNCCc1c[nH]cn1 46c07a44188f8b2bfc6be626e4d2c2a3 [0,1,0,0,0,0|3,0,0]=4 1450 B11R1.4 ICCNCCc1cccs1 f9870a07a19881e189afbe938043274c [0,1,0,0,0,0|1,0,0]=2 1451 B11R1.4 ICCNCCc1ccsc1 93c7547c377eb8f2e9025f4ddb3c42e6 [0,1,0,0,0,0|3,0,0]=4 1452 B11R1.4 ICCNCCc1cscn1 a22570961ae5026044933e059bca2405 [0,1,0,0,0,0|3,0,0]=4 1453 B11R1.4 ICCNCCn1cccc1 277678d6d214d3c4af7d19f18b3b23ba [0,1,0,0,0,0|3,0,0]=4 1454 B11R1.4 ICCNCCn1cccn1 9de0668c6f068a4e2e5c067fcab7b13d [0,1,0,0,0,0|3,0,0]=4 1455 B11R1.4 N#CCCCNc1cccs1 820c82c0d507a31a218bc0db8424ebd5 [0,1,0,0,0,0|1,0,1]=3 1456 B11R1.4 N#CCCCNc1ccns1 94be764fa55a90fc217f166e92e4a5c4 [0,1,0,0,0,0|2,0,1]=4 1457 B11R1.4 N#CCCCNc1cncs1 026ffe95dc58b3c006d9d4aa53cceb1a [0,1,0,0,0,0|2,0,1]=4 1458 B11R1.4 N#CCCCNc1nccs1 42143ea09ccdde0affd83e494c0ff38a [0,1,0,0,0,0|2,0,1]=4 1459 B11R1.4 N#CCCCOc1ccco1 ae481e3d359a58513790a40a38b3d951 [0,1,0,0,0,0|1,1,1]=4 1460 B11R1.4 N#CCCCOc1cccs1 ed1540c6cd35b82e711a93bf29fabeb6 [0,1,0,0,0,0|1,0,1]=3 1461 B11R1.4 N#CCCCOc1nccs1 f5d1f9783fade34aeb0bd4f145db9a34 [0,1,0,0,0,0|2,0,1]=4 1462 B11R1.4 N#CCCNCc1ccc[nH]1 a42dc1b81e9073925a7260c02ca735f1 [0,1,0,0,0,0|2,0,1]=4 1463 B11R1.4 N#CCCNCc1ccco1 7707294f7379f9edfd8a9c8728897451 [0,1,0,0,0,0|1,1,1]=4 1464 B11R1.4 N#CCCNCc1cccs1 ddb9dea318e93f6009f44567c05437a9 [0,1,0,0,0,0|1,0,1]=3 1465 B11R1.4 N#CCCNCc1ccns1 5df24047ab3254a09151f73d75d594a0 [0,1,0,0,0,0|2,0,1]=4 1466 B11R1.4 N#CCCNCc1cncs1 63608ac9602f0cfb6ad42aab320f7c5a [0,1,0,0,0,0|2,0,1]=4 1467 B11R1.4 N#CCCNCc1nccs1 eaec7d2cb7044afda75aae9bbef120db [0,1,0,0,0,0|2,0,1]=4 1468 B11R1.4 N#CCCOCc1ccc[nH]1 dbe1115d0e98b67245c65b31d2773a7b [0,1,0,0,0,0|2,0,1]=4 1469 B11R1.4 N#CCCOCc1ccco1 2e2ea54b38a0868b0dea203cbbe1d42a [0,1,0,0,0,0|1,1,1]=4 1470 B11R1.4 N#CCCOCc1cccs1 2be46b5c2f3269bac905a43e2aa9604c [0,1,0,0,0,0|1,0,1]=3 1471 B11R1.4 N#CCCOCc1ccns1 4bce83a52d1ccd0b0fb9b2b46cc74184 [0,1,0,0,0,0|2,0,1]=4 1472 B11R1.4 N#CCCOCc1cncs1 85e270fd5a5d941a6b3223a1c2d0f071 [0,1,0,0,0,0|2,0,1]=4 1473 B11R1.4 N#CCCOCc1nccs1 d5c0856ed9415ae59ed14b3920b808a7 [0,1,0,0,0,0|2,0,1]=4 1474 B11R1.4 N#CCNCCc1ccc[nH]1 2c84cfbcf8f1e6619359f17e08bc86e0 [0,1,0,0,0,0|2,0,1]=4 1475 B11R1.4 N#CCNCCc1ccco1 20a2ebc7b195a5619ff728263f474d5e [0,1,0,0,0,0|1,1,1]=4 1476 B11R1.4 N#CCNCCc1cccs1 df1be3838c67773bc27f8af42c39a240 [0,1,0,0,0,0|1,0,1]=3 1477 B11R1.4 N#CCNCCc1nccs1 879c35f67b03a793de4da9e18741b998 [0,1,0,0,0,0|2,0,1]=4 1478 B11R1.4 N#CCOCCc1ccc[nH]1 0607700f81ee7323e71b11dda208d405 [0,1,0,0,0,0|2,0,1]=4 1479 B11R1.4 N#CCOCCc1ccco1 fa0a770f22effb516458843856743ce3 [0,1,0,0,0,0|1,1,1]=4 1480 B11R1.4 N#CCOCCc1cccs1 f96d4d0f48f108ff7fe8cfca70e9991c [0,1,0,0,0,0|1,0,1]=3 1481 B11R1.4 N#CCOCCc1nccs1 e2aa5d74b15f9f76ec837f2f0a1e1801 [0,1,0,0,0,0|2,0,1]=4 1482 B11R1.4 N#CNCCCc1cccs1 fc9de1372c0f50ffd46594615c0fd009 [0,1,0,0,0,0|1,0,1]=3 1483 B11R1.4 NOCCNCc1ccco1 f1819581888a5ea292653b0852d8109b [0,1,0,0,0,0|2,1,0]=4 1484 B11R1.4 NOCCNCc1cccs1 308c7b40a11d6f46aaa3804982d4f26c [0,1,0,0,0,0|2,0,0]=3 1485 B11R1.4 NOCCNCc1nccs1 ba28ba3882102065502c3a0ce76e427f [0,1,0,0,0,0|3,0,0]=4 1486 B11R1.4 O/C=C\CNCc1cccs1 1a824045f55a5417e73244e162f6f911 [0,1,0,0,0,0|1,0,2]=4 1487 B11R1.4 O=CCCCNc1cccs1 43695ca6bd50c09c5a6eb1d54efee149 [0,1,0,0,0,0|1,0,1]=3 1488 B11R1.4 O=CCCCNc1ccns1 dd7099e5a12b5cd712a295e19e36be62 [0,1,0,0,0,0|2,0,1]=4 1489 B11R1.4 O=CCCCNc1cncs1 31f32e5955bab2ca6969eaf93da13638 [0,1,0,0,0,0|2,0,1]=4 1490 B11R1.4 O=CCCCNc1nccs1 2682d513cc3153ee5d1b50b842881bd8 [0,1,0,0,0,0|2,0,1]=4 1491 B11R1.4 O=CCCCOc1ccco1 6eb3b93549adc4ea06ed5e7c34eb71cb [0,1,0,0,0,0|1,1,1]=4 1492 B11R1.4 O=CCCCOc1cccs1 35b9551ef03a532a7154403a0426db17 [0,1,0,0,0,0|1,0,1]=3 1493 B11R1.4 O=CCCCOc1nccs1 5c8f3c634c26ce3db1fbee95826496da [0,1,0,0,0,0|2,0,1]=4 1494 B11R1.4 O=CCCNCc1ccc[nH]1 3e8482ec44c6f87c91bdc882344fd8a2 [0,1,0,0,0,0|2,0,1]=4 1495 B11R1.4 O=CCCNCc1ccco1 280d6ec06c403b836f32a53c0ffb04b1 [0,1,0,0,0,0|1,1,1]=4 1496 B11R1.4 O=CCCNCc1cccs1 1c5ad2f2627c0c7cd61ae097d937e45a [0,1,0,0,0,0|1,0,1]=3 1497 B11R1.4 O=CCCNCc1ccns1 e41902c220061da24141c13e818f3305 [0,1,0,0,0,0|2,0,1]=4 1498 B11R1.4 O=CCCNCc1cncs1 4db8e260347abcf1296a08dd1e1d8e89 [0,1,0,0,0,0|2,0,1]=4 1499 B11R1.4 O=CCCNCc1nccs1 9624a7484f0647f562652707c6384785 [0,1,0,0,0,0|2,0,1]=4 1500 B11R1.4 O=CCCOCc1ccc[nH]1 66cba79e963bc5004e28d6ebb3581496 [0,1,0,0,0,0|2,0,1]=4 1501 B11R1.4 O=CCCOCc1ccco1 6f61809db9ef3bba8e17628e7d83ad4c [0,1,0,0,0,0|1,1,1]=4 1502 B11R1.4 O=CCCOCc1cccs1 476ab6365d5255d16d4c296c49a2de04 [0,1,0,0,0,0|1,0,1]=3 1503 B11R1.4 O=CCCOCc1ccns1 84daa3a41dfe57079d6ffd378e787559 [0,1,0,0,0,0|2,0,1]=4 1504 B11R1.4 O=CCCOCc1cncs1 b3fcc00aaa00262a6d822f8263535fbd [0,1,0,0,0,0|2,0,1]=4 1505 B11R1.4 O=CCCOCc1nccs1 383e24250ac7f48233ad18484f1f729e [0,1,0,0,0,0|2,0,1]=4 1506 B11R1.4 O=CCNCCc1ccc[nH]1 c14e8bb3f1e339a28081dcc6b2429684 [0,1,0,0,0,0|2,0,1]=4 1507 B11R1.4 O=CCNCCc1ccco1 90b2f15652d4f7f338b7a0ecf82dcfed [0,1,0,0,0,0|1,1,1]=4 1508 B11R1.4 O=CCNCCc1cccs1 4951a1e61692bd3cdcf9786dafeda551 [0,1,0,0,0,0|1,0,1]=3 1509 B11R1.4 O=CCNCCc1nccs1 a9e14046161fad6d82d049d858a292c0 [0,1,0,0,0,0|2,0,1]=4 1510 B11R1.4 O=CCOCCc1ccc[nH]1 e730315c051b485de2f1e2f89f287cf6 [0,1,0,0,0,0|2,0,1]=4 1511 B11R1.4 O=CCOCCc1ccco1 d9d5017e7d85573a8a9e6b0d5540d2fb [0,1,0,0,0,0|1,1,1]=4 1512 B11R1.4 O=CCOCCc1cccs1 0961a5b8ae9f55d183acc18566988abd [0,1,0,0,0,0|1,0,1]=3 1513 B11R1.4 O=CCOCCc1nccs1 29e8cb248fc1988c2e6443e308c71368 [0,1,0,0,0,0|2,0,1]=4 1514 B11R1.4 O=CNCCCc1ccco1 981b26f66e868917ac721bcbb2fc6c44 [0,1,0,0,0,0|1,1,1]=4 1515 B11R1.4 O=CNCCCc1cccs1 c2fe476b5ab713278a8b507ae6f64f04 [0,1,0,0,0,0|1,0,1]=3 1516 B11R1.4 OCCCCCN1CC=CC1 63538fc316773bcaf8314766a8c1f54a [0,1,0,0,0,0|2,0,1]=4 1517 B11R1.4 OCCCCNc1c[nH]cn1 827a352ee9e81344320c3cb2b6912e4e [0,1,0,0,0,0|3,0,0]=4 1518 B11R1.4 OCCCCNc1cc[nH]n1 65698444ea5056c97cca119596d19fc4 [0,1,0,0,0,0|3,0,0]=4 1519 B11R1.4 OCCCCNc1ccco1 30c195c8aa3a91ef01061653326494d0 [0,1,0,0,0,0|1,1,0]=3 1520 B11R1.4 OCCCCNc1cccs1 84bc6766d6c8e7b66c767040cd840d9c [0,1,0,0,0,0|1,0,0]=2 1521 B11R1.4 OCCCCNc1ccno1 386376e3bec122319b4db830b21fa633 [0,1,0,0,0,0|2,1,0]=4 1522 B11R1.4 OCCCCNc1ccns1 1ca66affcb41edfe2aed0508458e6b01 [0,1,0,0,0,0|2,0,0]=3 1523 B11R1.4 OCCCCNc1ccoc1 b3b4900a73e189905b02829a78e386d1 [0,1,0,0,0,0|3,0,0]=4 1524 B11R1.4 OCCCCNc1ccon1 69c66f303db1692d61646404c93bc44f [0,1,0,0,0,0|3,0,0]=4 1525 B11R1.4 OCCCCNc1ccsc1 3ab3aa81764baf3c24010ab5b600fb55 [0,1,0,0,0,0|3,0,0]=4 1526 B11R1.4 OCCCCNc1ccsn1 796708d0365405fdd3c3f7d065c6e750 [0,1,0,0,0,0|3,0,0]=4 1527 B11R1.4 OCCCCNc1cncs1 3e67e4ec94803b648a1082eafd5c65b7 [0,1,0,0,0,0|2,0,0]=3 1528 B11R1.4 OCCCCNc1cnns1 a9eecc041f6d9bf587f8e60f98e303d6 [0,1,0,0,0,0|3,0,0]=4 1529 B11R1.4 OCCCCNc1cocn1 b450010a6e7187277d44abd4d59fae2c [0,1,0,0,0,0|3,0,0]=4 1530 B11R1.4 OCCCCNc1cscn1 ae9dec82bc022fa54c08c828f46ab729 [0,1,0,0,0,0|3,0,0]=4 1531 B11R1.4 OCCCCNc1ncc[nH]1 7d9cdae6a1b5eedbda867ba260e62d18 [0,1,0,0,0,0|3,0,0]=4 1532 B11R1.4 OCCCCNc1ncco1 4fe7833c923ca4c1079b301e13933d98 [0,1,0,0,0,0|2,1,0]=4 1533 B11R1.4 OCCCCNc1nccs1 0972368be17621aacf5d2db5bd383125 [0,1,0,0,0,0|2,0,0]=3 1534 B11R1.4 OCCCCNc1ncns1 eb63108edea06f4f99f0bae3ddd0f126 [0,1,0,0,0,0|3,0,0]=4 1535 B11R1.4 OCCCCNc1nncs1 63b165ce2c7b9fc0491be871779dbc53 [0,1,0,0,0,0|3,0,0]=4 1536 B11R1.4 OCCCNCc1cc[nH]c1 7c35ac1a90315347ba5c94ec4b70036d [0,1,0,0,0,0|3,0,0]=4 1537 B11R1.4 OCCCNCc1ccc[nH]1 d9e9831912f5074df4eea48a266b2c8a [0,1,0,0,0,0|2,0,0]=3 1538 B11R1.4 OCCCNCc1ccco1 62e48e7cb9db31099b0624d2f9d3a61b [0,1,0,0,0,0|1,1,0]=3 1539 B11R1.4 OCCCNCc1cccs1 88bc94852974b4551a7841459b7165b7 [0,1,0,0,0,0|1,0,0]=2 1540 B11R1.4 OCCCNCc1ccn[nH]1 afed4d6782aa938917c800ce1211eeaf [0,1,0,0,0,0|3,0,0]=4 1541 B11R1.4 OCCCNCc1ccno1 0b615b6407c640a390b1ac4080a808e4 [0,1,0,0,0,0|2,1,0]=4 1542 B11R1.4 OCCCNCc1ccns1 7f6a3e483f6dd982e3b5efdd027e66d5 [0,1,0,0,0,0|2,0,0]=3 1543 B11R1.4 OCCCNCc1ccoc1 cb6d6c10c8d1e9fbb486a611728fd9ee [0,1,0,0,0,0|3,0,0]=4 1544 B11R1.4 OCCCNCc1ccon1 8a3b8fda9a9b3d0b9b577d07b6d3dcb3 [0,1,0,0,0,0|3,0,0]=4 1545 B11R1.4 OCCCNCc1ccsc1 349fbd5eafa36beb8430bdc4b8b02903 [0,1,0,0,0,0|3,0,0]=4 1546 B11R1.4 OCCCNCc1ccsn1 f75bee0446bd3b6a93c071732e9b8236 [0,1,0,0,0,0|3,0,0]=4 1547 B11R1.4 OCCCNCc1cnc[nH]1 47fb20364504850ecc79e0cba2db6616 [0,1,0,0,0,0|3,0,0]=4 1548 B11R1.4 OCCCNCc1cnco1 2706affc60fb563291c07abbcb14df25 [0,1,0,0,0,0|2,1,0]=4 1549 B11R1.4 OCCCNCc1cncs1 d396e44c5e4a88a444bf70b1be334ad4 [0,1,0,0,0,0|2,0,0]=3 1550 B11R1.4 OCCCNCc1cocn1 67b3d67c1b238942c3d0dfdc3f5b6dae [0,1,0,0,0,0|3,0,0]=4 1551 B11R1.4 OCCCNCc1cscn1 2fc02265a8adf7560bb622337c5699b2 [0,1,0,0,0,0|3,0,0]=4 1552 B11R1.4 OCCCNCc1ncc[nH]1 2d3ac628613228dd2d98baa555d3dba3 [0,1,0,0,0,0|3,0,0]=4 1553 B11R1.4 OCCCNCc1ncco1 987b17dbd45b3e85af1e3f60fb6c357d [0,1,0,0,0,0|2,1,0]=4 1554 B11R1.4 OCCCNCc1nccs1 4a5e53fa276c788ac1f7066055bc0728 [0,1,0,0,0,0|2,0,0]=3 1555 B11R1.4 OCCNCCc1c[nH]cn1 7265fa602cc3fd239fa763186f7ee489 [0,1,0,0,0,0|3,0,0]=4 1556 B11R1.4 OCCNCCc1cc[nH]n1 727ca4a809a7a58ec590766b3a899b34 [0,1,0,0,0,0|3,0,0]=4 1557 B11R1.4 OCCNCCc1ccc[nH]1 5d2d8048903556b7c332401fbd20e9b4 [0,1,0,0,0,0|2,0,0]=3 1558 B11R1.4 OCCNCCc1ccco1 078e622e2d862de800291c9a8873a5c8 [0,1,0,0,0,0|1,1,0]=3 1559 B11R1.4 OCCNCCc1cccs1 dc65fa9fd4b336c41fc766f2b9c0b1a5 [0,1,0,0,0,0|1,0,0]=2 1560 B11R1.4 OCCNCCc1ccsc1 a65da01e99f833f056da0c38a50e94fa [0,1,0,0,0,0|3,0,0]=4 1561 B11R1.4 OCCNCCc1cscn1 f1bcea372efdae7f654524cc1729d29b [0,1,0,0,0,0|3,0,0]=4 1562 B11R1.4 OCCNCCc1ncc[nH]1 40df81b96422a0e237809d06e5139acc [0,1,0,0,0,0|3,0,0]=4 1563 B11R1.4 OCCNCCc1nccs1 2c2b237d931fb68e18163d3a91ccacdf [0,1,0,0,0,0|2,0,0]=3 1564 B11R1.4 OCCNCCc1nncs1 928880afa90fa38c7d4ec6deb9f5eec9 [0,1,0,0,0,0|3,0,0]=4 1565 B11R1.4 OCCNCCn1cccc1 8ea7d3138b4e71726ede40363c7e88f7 [0,1,0,0,0,0|3,0,0]=4 1566 B11R1.4 OCCNCCn1cccn1 29d92519902a2b424c0c9a778677112c [0,1,0,0,0,0|3,0,0]=4 1567 B11R1.4 OCNCCCc1c[nH]cn1 c43622a38316abb5398debd7be93d47b [0,1,0,0,0,0|3,0,0]=4 1568 B11R1.4 OCNCCCc1ccco1 b43418c58856cd447aaa0d9db254c5c2 [0,1,0,0,0,0|1,1,0]=3 1569 B11R1.4 OCNCCCc1cccs1 0857ed8cccc5342bb41a90b070bf8865 [0,1,0,0,0,0|1,0,0]=2 1570 B11R1.4 OCNCCCc1ncc[nH]1 d9dca8686e9dc7c65105186631380fe4 [0,1,0,0,0,0|3,0,0]=4 1571 B11R1.4 OCNCCCn1cccc1 aae093ab0373e006422d97710e0593c9 [0,1,0,0,0,0|3,0,0]=4 1572 B11R1.4 OCNCCCn1cccn1 75656f057ef0ffb2ab4216b8e6cebfc5 [0,1,0,0,0,0|3,0,0]=4 1573 B11R1.4 SCCCCNc1cc[nH]n1 e53d8fe3826583e2e301653f952191a2 [0,1,0,0,0,0|3,0,0]=4 1574 B11R1.4 SCCCCNc1ccco1 c4ffbf8523f3562a735e40e5b446c17e [0,1,0,0,0,0|1,1,0]=3 1575 B11R1.4 SCCCCNc1cccs1 daef65ab797c6bc3af78012f35919db1 [0,1,0,0,0,0|1,0,0]=2 1576 B11R1.4 SCCCCNc1ccns1 a8c75eb446e8d61596b113096eccb67a [0,1,0,0,0,0|2,0,0]=3 1577 B11R1.4 SCCCCNc1ccoc1 494470c53d8ee9c5709ac4ca04ab3233 [0,1,0,0,0,0|3,0,0]=4 1578 B11R1.4 SCCCCNc1ccon1 1c290646363f1cbdc160760c12d0c3d9 [0,1,0,0,0,0|3,0,0]=4 1579 B11R1.4 SCCCCNc1ccsc1 bd62732610fcbeedf2443069e3c75c28 [0,1,0,0,0,0|3,0,0]=4 1580 B11R1.4 SCCCCNc1ccsn1 107721a1431867025cf72bac427eed6f [0,1,0,0,0,0|3,0,0]=4 1581 B11R1.4 SCCCCNc1cncs1 aa3918feb24461d0beb4e71ff44d7fc5 [0,1,0,0,0,0|2,0,0]=3 1582 B11R1.4 SCCCCNc1cocn1 debb5200b41daf47d8cee403cfe2e50b [0,1,0,0,0,0|3,0,0]=4 1583 B11R1.4 SCCCCNc1cscn1 0de6d4b675fb9bf8f47b275b28362d2e [0,1,0,0,0,0|3,0,0]=4 1584 B11R1.4 SCCCCNc1ncco1 9fd1e2bdc2e697f025405192aeabaacd [0,1,0,0,0,0|2,1,0]=4 1585 B11R1.4 SCCCCNc1nccs1 a4618ba02258479e12a242baa560ef22 [0,1,0,0,0,0|2,0,0]=3 1586 B11R1.4 SCCCNCc1cc[nH]c1 7ddc362ce03dacd6e46839ec1f8f2c49 [0,1,0,0,0,0|3,0,0]=4 1587 B11R1.4 SCCCNCc1ccc[nH]1 db518c23fc2fe970606f6e2a295c6d40 [0,1,0,0,0,0|2,0,0]=3 1588 B11R1.4 SCCCNCc1ccco1 937f34ea36e72a87839f4cf926474e38 [0,1,0,0,0,0|1,1,0]=3 1589 B11R1.4 SCCCNCc1cccs1 495f2d4adf50cca9e9dafa1b06af711f [0,1,0,0,0,0|1,0,0]=2 1590 B11R1.4 SCCCNCc1ccn[nH]1 83caced16828c2ac3d434fe5530aac5d [0,1,0,0,0,0|3,0,0]=4 1591 B11R1.4 SCCCNCc1ccno1 0403fc928bfed5d52d15b76338f2a1ae [0,1,0,0,0,0|2,1,0]=4 1592 B11R1.4 SCCCNCc1ccns1 86c5404097febd63da12c083af4672fe [0,1,0,0,0,0|2,0,0]=3 1593 B11R1.4 SCCCNCc1ccoc1 c4e2dea12f827e7f17147b83e6fa0c1d [0,1,0,0,0,0|3,0,0]=4 1594 B11R1.4 SCCCNCc1ccon1 c97140f23c4f399bc94cc9093c5c5c98 [0,1,0,0,0,0|3,0,0]=4 1595 B11R1.4 SCCCNCc1ccsc1 b9e087670d631fa065603032f6a81957 [0,1,0,0,0,0|3,0,0]=4 1596 B11R1.4 SCCCNCc1ccsn1 3c5e52b8ca8e84b02bcc7d149a5c7062 [0,1,0,0,0,0|3,0,0]=4 1597 B11R1.4 SCCCNCc1cnco1 725d927e18e4d97f2cbf4ab56c6b6442 [0,1,0,0,0,0|2,1,0]=4 1598 B11R1.4 SCCCNCc1cncs1 5a8899dbbfc2b14191e0e10362934b31 [0,1,0,0,0,0|2,0,0]=3 1599 B11R1.4 SCCCNCc1cocn1 66dd223dbc2a1504e7418101cfc8f2ed [0,1,0,0,0,0|3,0,0]=4 1600 B11R1.4 SCCCNCc1cscn1 23c5f9674ca9454725994683d16d7906 [0,1,0,0,0,0|3,0,0]=4 1601 B11R1.4 SCCCNCc1ncc[nH]1 5999540cc28f7e44251dc20b288f5a0b [0,1,0,0,0,0|3,0,0]=4 1602 B11R1.4 SCCCNCc1ncco1 9642ab905f20baddf0989bc88b060557 [0,1,0,0,0,0|2,1,0]=4 1603 B11R1.4 SCCCNCc1nccs1 89270b5573d3574f5c57e7f45eb97883 [0,1,0,0,0,0|2,0,0]=3 1604 B11R1.4 SCCCOCc1cc[nH]c1 98170f61c76b016abb7d5f43c6126d8d [0,1,0,0,0,0|3,0,0]=4 1605 B11R1.4 SCCCOCc1ccc[nH]1 09bdd1fba039201b91cf35bce9c67285 [0,1,0,0,0,0|2,0,0]=3 1606 B11R1.4 SCCCOCc1ccco1 0907f515a46060017fc310df122362dd [0,1,0,0,0,0|1,1,0]=3 1607 B11R1.4 SCCCOCc1cccs1 affcb7469d43df8d28416eea8f1f777d [0,1,0,0,0,0|1,0,0]=2 1608 B11R1.4 SCCCOCc1ccn[nH]1 05b600e1e74a03c52894c360c5b338a3 [0,1,0,0,0,0|3,0,0]=4 1609 B11R1.4 SCCCOCc1ccno1 8a5a88c65a948bbfddf0cfd35944ab44 [0,1,0,0,0,0|2,1,0]=4 1610 B11R1.4 SCCCOCc1ccns1 59a8a9e9195fa413d84ab446d1be86d7 [0,1,0,0,0,0|2,0,0]=3 1611 B11R1.4 SCCCOCc1ccoc1 6fa7c6662ec9123ef0150c1436bf84e6 [0,1,0,0,0,0|3,0,0]=4 1612 B11R1.4 SCCCOCc1ccon1 deff82aca0272efd5422b57b5029ffd4 [0,1,0,0,0,0|3,0,0]=4 1613 B11R1.4 SCCCOCc1ccsc1 27409bb04c3340abc05d647c61a5bb27 [0,1,0,0,0,0|3,0,0]=4 1614 B11R1.4 SCCCOCc1ccsn1 d56ea962e5cb377abf32b84486e9ed06 [0,1,0,0,0,0|3,0,0]=4 1615 B11R1.4 SCCCOCc1cnc[nH]1 4847cd21f6f89088f69e15cae0a474ce [0,1,0,0,0,0|3,0,0]=4 1616 B11R1.4 SCCCOCc1cnco1 753fc3ecc29bf716e8424646c7f61d79 [0,1,0,0,0,0|2,1,0]=4 1617 B11R1.4 SCCCOCc1cocn1 49ccc24ea3de7afbf6b2c13c06874474 [0,1,0,0,0,0|3,0,0]=4 1618 B11R1.4 SCCCOCc1cscn1 7878e08b72090f1ae364b0ad2e4ca7dd [0,1,0,0,0,0|3,0,0]=4 1619 B11R1.4 SCCCOCc1ncc[nH]1 09e52aa3345af524735d4deaa8fb08b8 [0,1,0,0,0,0|3,0,0]=4 1620 B11R1.4 SCCCOCc1ncco1 20f9da36c9503ac471d889969399ffef [0,1,0,0,0,0|2,1,0]=4 1621 B11R1.4 SCCCOCc1nccs1 2917353ed9c123e4e747e26d903d43c8 [0,1,0,0,0,0|2,0,0]=3 1622 B11R1.4 SCCCOCc1ncns1 65094ab47e2cd0268ef4bedc31f025b7 [0,1,0,0,0,0|3,0,0]=4 1623 B11R1.4 SCCCOCn1cccn1 0c8c6d752821785dc6212d899c4f751c [0,1,0,0,0,0|3,0,0]=4 1624 B11R1.4 SCCNCCc1c[nH]cn1 6ebfd1982a2e6ceb7ca49d458cf68d88 [0,1,0,0,0,0|3,0,0]=4 1625 B11R1.4 SCCNCCc1cc[nH]n1 c9ec74b2738f9724806f316b128368a3 [0,1,0,0,0,0|3,0,0]=4 1626 B11R1.4 SCCNCCc1ccc[nH]1 98e6c19d012ec7894b28fd2c81ef1897 [0,1,0,0,0,0|2,0,0]=3 1627 B11R1.4 SCCNCCc1ccco1 a35ba048862c20b3a475eaf580131d98 [0,1,0,0,0,0|1,1,0]=3 1628 B11R1.4 SCCNCCc1cccs1 30cc78b40d826f2d5f136907e3314f1d [0,1,0,0,0,0|1,0,0]=2 1629 B11R1.4 SCCNCCc1ccsc1 1bc5fe907cb8887ead961e1960594c7b [0,1,0,0,0,0|3,0,0]=4 1630 B11R1.4 SCCNCCc1cscn1 6924c314bd6a8f410e7781f72515b2ee [0,1,0,0,0,0|3,0,0]=4 1631 B11R1.4 SCCNCCc1ncc[nH]1 e25ee32e7ad0b839e5ac5b6143735bd8 [0,1,0,0,0,0|3,0,0]=4 1632 B11R1.4 SCCNCCc1nccs1 706401275004aa5133abb96ebee0629a [0,1,0,0,0,0|2,0,0]=3 1633 B11R1.4 SCCNCCc1nncs1 cdbf90ba88987645491f33ab112d4a36 [0,1,0,0,0,0|3,0,0]=4 1634 B11R1.4 SCCNCCn1cccc1 cebff623b8073cb775afcbb1f13f6da6 [0,1,0,0,0,0|3,0,0]=4 1635 B11R1.4 SCCNCCn1cccn1 f12b25388bdc3f4332e0f23adeb02168 [0,1,0,0,0,0|3,0,0]=4 1636 B11R1.4 SCCOCCc1c[nH]cn1 4acdc1eec2a35737728987391ce73925 [0,1,0,0,0,0|3,0,0]=4 1637 B11R1.4 SCCOCCc1cc[nH]n1 6af8728480f5f215a9ddb34ea0838820 [0,1,0,0,0,0|3,0,0]=4 1638 B11R1.4 SCCOCCc1ccc[nH]1 4b915ad309b2bfa3eb4764d16096ce86 [0,1,0,0,0,0|2,0,0]=3 1639 B11R1.4 SCCOCCc1ccco1 0771d63b2ff8d578850944dff45c7085 [0,1,0,0,0,0|1,1,0]=3 1640 B11R1.4 SCCOCCc1cccs1 f54d920cf3ba83542b89933d4862af2b [0,1,0,0,0,0|1,0,0]=2 1641 B11R1.4 SCCOCCc1ccoc1 69d2912519fcf54fad8da34c2819e5bd [0,1,0,0,0,0|3,0,0]=4 1642 B11R1.4 SCCOCCc1ccon1 1b3558b5f69c370ad9403d96a2556bb5 [0,1,0,0,0,0|3,0,0]=4 1643 B11R1.4 SCCOCCc1ccsc1 3df72841d238242b7b23680e4f40e0d7 [0,1,0,0,0,0|3,0,0]=4 1644 B11R1.4 SCCOCCc1cscn1 a80c0d699e4a54b47618fa1817f90870 [0,1,0,0,0,0|3,0,0]=4 1645 B11R1.4 SCCOCCc1ncc[nH]1 abb3f0f217c7b2cbd097e749b3fa03eb [0,1,0,0,0,0|3,0,0]=4 1646 B11R1.4 SCCOCCc1nccs1 55273865c8eeaa7430e944630ae5cbf5 [0,1,0,0,0,0|2,0,0]=3 1647 B11R1.4 SCCOCCn1cccc1 9d550e84224d7f3ccb77c9c0139feaf7 [0,1,0,0,0,0|3,0,0]=4 1648 B11R1.4 SCCOCCn1cccn1 0967cd597841c7c8b3f44024e74e2d6b [0,1,0,0,0,0|3,0,0]=4 1649 B11R1.25 BrCC(Br)CNc1ccco1 2fbcd6d811cfd65f76244ad34955fb3c [0,1,0,0,0,0|2,1,0]=4 1650 B11R1.25 BrCC(Br)CNc1cccs1 6ff1a6ddaa7434161b7c566df04630e3 [0,1,0,0,0,0|2,0,0]=3 1651 B11R1.25 BrCC(Br)CNc1ccns1 a00c4acc22e7ec337eaac3dd1849c726 [0,1,0,0,0,0|3,0,0]=4 1652 B11R1.25 BrCC(Br)CNc1cncs1 eba523f8d84ee65790868e94bffaffde [0,1,0,0,0,0|3,0,0]=4 1653 B11R1.25 BrCC(Br)CNc1nccs1 3e05c6f5a2be39a9c93649d04808cc38 [0,1,0,0,0,0|3,0,0]=4 1654 B11R1.25 C#CC(C)NCc1cccs1 8cebb526e3b20ba11c7a0b5d414adf5e [0,1,0,0,0,0|1,0,2]=4 1655 B11R1.25 C#CC(C)OCc1cccs1 3ff098cbee8afa61ae1ac02d47c0dc0f [0,1,0,0,0,0|1,0,2]=4 1656 B11R1.25 C#C[C@@H](C)NCc1cccs1 1b333a4086f609e3e70bfa19d5250971 [0,1,0,0,0,0|1,0,2]=4 1657 B11R1.25 C#C[C@@H](C)OCc1cccs1 92185deabe02886c9aa4cd23dbdbb774 [0,1,0,0,0,0|1,0,2]=4 1658 B11R1.25 C#C[C@H](C)NCc1cccs1 ec28d5fa4f5d24f5526aed6fe3dd738e [0,1,0,0,0,0|1,0,2]=4 1659 B11R1.25 C#C[C@H](C)OCc1cccs1 5f306ec969254d5b928e4b8ed912231b [0,1,0,0,0,0|1,0,2]=4 1660 B11R1.25 C=C(CC)CNc1cccs1 691e4bd042ab397e632b12f7150dd97e [0,1,0,0,0,0|1,0,1]=3 1661 B11R1.25 C=C(CC)CNc1ccns1 7b9662ebf9cb825309f088da92c9661d [0,1,0,0,0,0|2,0,1]=4 1662 B11R1.25 C=C(CC)CNc1cncs1 31cc40e329d7741956a9f2cfbfff6cbf [0,1,0,0,0,0|2,0,1]=4 1663 B11R1.25 C=C(CC)CNc1nccs1 46a373964fe9e5211ac4b72c369f2b12 [0,1,0,0,0,0|2,0,1]=4 1664 B11R1.25 C=C(CC)COc1ccco1 8404942ce0c127109105c4a4a2ae6d42 [0,1,0,0,0,0|1,1,1]=4 1665 B11R1.25 C=C(CC)COc1nccs1 b0827b35a225aa870ff2bd39ea09b753 [0,1,0,0,0,0|2,0,1]=4 1666 B11R1.25 C=C(CNc1cccs1)OC c821d0dac9c11e98815755539d4f8f6f [0,1,0,0,0,0|2,0,1]=4 1667 B11R1.25 C=C(CO)CNc1cccs1 d46d8921b5f4c18cd82d0fca6aefe4f3 [0,1,0,0,0,0|2,0,1]=4 1668 B11R1.25 C=C(COc1cccs1)OC 261f21bba7bf7897263508c313a22889 [0,1,0,0,0,0|2,0,1]=4 1669 B11R1.25 C=CC(C)NCc1cccs1 29acef9e64e95102290767c89611555b [0,1,0,0,0,0|1,0,2]=4 1670 B11R1.25 C=CC(C)OCc1cccs1 42e1110c1385a33bf20e6388c19b7122 [0,1,0,0,0,0|1,0,2]=4 1671 B11R1.25 C=CC(O)CNc1cccs1 aa01dbcbd8f9771cac44eb36d27f9bfe [0,1,0,0,0,0|1,0,2]=4 1672 B11R1.25 C=C[C@H](C)OCc1cccs1 09ab87c351bd6e3abf30aed6b27e17bf [0,1,0,0,0,0|1,0,2]=4 1673 B11R1.25 CC(C#N)COc1cccs1 5df7cbfef46efdb44133ce28f3df8370 [0,1,0,0,0,0|2,0,1]=4 1674 B11R1.25 CC(C#N)NCc1cccs1 0a5d38119f42345a4c9ccf13d621d513 [0,1,0,0,0,0|2,0,1]=4 1675 B11R1.25 CC(C=O)NCc1cccs1 6368b189b8ed1ed2464ffdb622d1444f [0,1,0,0,0,0|2,0,1]=4 1676 B11R1.25 CC(C=O)OCc1cccs1 e2f1f17fd0c90954e0e29f101f0ec90e [0,1,0,0,0,0|2,0,1]=4 1677 B11R1.25 CC(CF)OCc1ccco1 7a6c9d5edc9a65d3a477e45540cf06b6 [0,1,0,0,0,0|2,1,0]=4 1678 B11R1.25 CC(CF)OCc1cccs1 c61d4203ee490fd4ec0504a095cf3419 [0,1,0,0,0,0|2,0,0]=3 1679 B11R1.25 CC(CF)OCc1nccs1 91fa03453022e436048a4b410e626c36 [0,1,0,0,0,0|3,0,0]=4 1680 B11R1.25 CC(CO)CNc1ccco1 71d7f730861dec4d36bae70874e1302c [0,1,0,0,0,0|2,1,0]=4 1681 B11R1.25 CC(CO)CNc1cccs1 7d154d13e493f7700e0144525fd94345 [0,1,0,0,0,0|2,0,0]=3 1682 B11R1.25 CC(CO)CNc1ccns1 df2b0d784288283375900719f06bbf7f [0,1,0,0,0,0|3,0,0]=4 1683 B11R1.25 CC(CO)CNc1cncs1 34fe1f4fd27b4271864f70e41fa47da3 [0,1,0,0,0,0|3,0,0]=4 1684 B11R1.25 CC(CO)CNc1nccs1 5067303bc1db1e2661df2e3b27f38be6 [0,1,0,0,0,0|3,0,0]=4 1685 B11R1.25 CC(CO)NCc1ccc[nH]1 3badc24526bcc1179321e6501359d917 [0,1,0,0,0,0|3,0,0]=4 1686 B11R1.25 CC(CO)NCc1ccco1 e11a1dcc997402b9ca10ebd6c1d728d8 [0,1,0,0,0,0|2,1,0]=4 1687 B11R1.25 CC(CO)NCc1cccs1 00a9c9f16ef261f122a5837659fa4e9f [0,1,0,0,0,0|2,0,0]=3 1688 B11R1.25 CC(CO)NCc1ccns1 412679218e4c8125dd1431b212c9ca36 [0,1,0,0,0,0|3,0,0]=4 1689 B11R1.25 CC(CO)NCc1cncs1 a9df46abdbdb3acb3379aee2e613de97 [0,1,0,0,0,0|3,0,0]=4 1690 B11R1.25 CC(CO)NCc1nccs1 fed0ec5f970007701b5b0e2a83a855ad [0,1,0,0,0,0|3,0,0]=4 1691 B11R1.25 CC(CS)OCc1cccs1 faf25675285219dbed4aac1af10ed644 [0,1,0,0,0,0|2,0,0]=3 1692 B11R1.25 CC(CS)OCc1nccs1 72d36a724e0d8aaeea3ac496cf3d0126 [0,1,0,0,0,0|3,0,0]=4 1693 B11R1.25 CCC(=O)CNc1cccs1 b4fbace754947742811c99821187431d [0,1,0,0,0,0|1,0,1]=3 1694 B11R1.25 CCC(=O)CNc1ccns1 85fbab8f51c9456997810486e8fd7296 [0,1,0,0,0,0|2,0,1]=4 1695 B11R1.25 CCC(=O)CNc1cncs1 6c4daeb0baf3bb577a1698df3aadcc2a [0,1,0,0,0,0|2,0,1]=4 1696 B11R1.25 CCC(=O)CNc1nccs1 f96c22ed9aa1e85023b846bc3829aa18 [0,1,0,0,0,0|2,0,1]=4 1697 B11R1.25 CCC(=O)COc1ccco1 84a63c846c70eaac9456a85969f85a7b [0,1,0,0,0,0|1,1,1]=4 1698 B11R1.25 CCC(=O)COc1cccs1 62a1dd7ee9a489d60b74777043a9f2b4 [0,1,0,0,0,0|1,0,1]=3 1699 B11R1.25 CCC(=O)COc1nccs1 7db71ad47fd7728c3ddad7ba378ac6b5 [0,1,0,0,0,0|2,0,1]=4 1700 B11R1.25 CCC(=O)NCc1ccco1 83a3424c0a2cb7e1166334a3685172c7 [0,1,0,0,0,0|1,1,1]=4 1701 B11R1.25 CCC(=O)NCc1cccs1 6c557a7153df782ceae55abb6bb418b3 [0,1,0,0,0,0|1,0,1]=3 1702 B11R1.25 CCC(=O)NCc1ccns1 c9819aa535efeca49d7cabc83ef3ae5b [0,1,0,0,0,0|2,0,1]=4 1703 B11R1.25 CCC(=O)NCc1cncs1 642bc0d4cafddf9cfcfcd52e8a1581c9 [0,1,0,0,0,0|2,0,1]=4 1704 B11R1.25 CCC(=O)NCc1nccs1 ef8f755cf84c310f41b86bcd4a497d12 [0,1,0,0,0,0|2,0,1]=4 1705 B11R1.25 CCC(C)CCN1CC=CC1 2d7da48f7706a6eeb0ad37b989ce776f [0,1,0,0,0,0|2,0,1]=4 1706 B11R1.25 CCC(C)CNc1c[nH]cn1 feacb1dd138e77387faebefd1836e096 [0,1,0,0,0,0|3,0,0]=4 1707 B11R1.25 CCC(C)CNc1cc[nH]n1 9062e94d03b5995899fb54d4af7cd72e [0,1,0,0,0,0|3,0,0]=4 1708 B11R1.25 CCC(C)CNc1cccs1 719002605602d496bf65e7aa6778850d [0,1,0,0,0,0|1,0,0]=2 1709 B11R1.25 CCC(C)CNc1ccno1 3515df0d2b01ace6ce08c1cadc4e8aa4 [0,1,0,0,0,0|2,1,0]=4 1710 B11R1.25 CCC(C)CNc1ccns1 bae5436df3629ac6271383de30f089dc [0,1,0,0,0,0|2,0,0]=3 1711 B11R1.25 CCC(C)CNc1ccoc1 b996204742a27f41a0bc070ef3e80806 [0,1,0,0,0,0|3,0,0]=4 1712 B11R1.25 CCC(C)CNc1ccon1 5c8a42d1795a33ce2f986ff000ec8d28 [0,1,0,0,0,0|3,0,0]=4 1713 B11R1.25 CCC(C)CNc1ccsc1 176cfb6d9ab57fcee60bce4f05fbefa6 [0,1,0,0,0,0|3,0,0]=4 1714 B11R1.25 CCC(C)CNc1cncs1 8c87b8fdaff643d4f36a14b3f43e4f85 [0,1,0,0,0,0|2,0,0]=3 1715 B11R1.25 CCC(C)CNc1cnns1 a44c52ad70cf381ba8cf52e3bc34eb67 [0,1,0,0,0,0|3,0,0]=4 1716 B11R1.25 CCC(C)CNc1cocn1 e4e4c893c6773d08c2ec28f0f01f2669 [0,1,0,0,0,0|3,0,0]=4 1717 B11R1.25 CCC(C)CNc1cscn1 71da227adf0a473bb6fc55520ac1f382 [0,1,0,0,0,0|3,0,0]=4 1718 B11R1.25 CCC(C)CNc1ncc[nH]1 7ab47af6d52f0f81f7ea4bf98538d712 [0,1,0,0,0,0|3,0,0]=4 1719 B11R1.25 CCC(C)CNc1ncco1 9bff6017d9e131868149393a9636320f [0,1,0,0,0,0|2,1,0]=4 1720 B11R1.25 CCC(C)CNc1nccs1 9a650a0be5c9d2f1d733cccfe8b54c36 [0,1,0,0,0,0|2,0,0]=3 1721 B11R1.25 CCC(C)CNc1ncns1 a91c539de2676e181a02a2f9d2524346 [0,1,0,0,0,0|3,0,0]=4 1722 B11R1.25 CCC(C)CNc1nncs1 e96abcd2fda86f74c440ebdd66a1cd1a [0,1,0,0,0,0|3,0,0]=4 1723 B11R1.25 CCC(C)COc1c[nH]cn1 81c421f75b24b87e7698071fa13440c5 [0,1,0,0,0,0|3,0,0]=4 1724 B11R1.25 CCC(C)COc1ccco1 82daf9b75022db52f0e1a8a1ed2263d3 [0,1,0,0,0,0|1,1,0]=3 1725 B11R1.25 CCC(C)COc1cccs1 22937857e8dff98d6437b2766e53db72 [0,1,0,0,0,0|1,0,0]=2 1726 B11R1.25 CCC(C)COc1ccn[nH]1 300348cd077c4fe69cf760771625ef7c [0,1,0,0,0,0|3,0,0]=4 1727 B11R1.25 CCC(C)COc1ccsc1 82d359e1e92307ccc24b4631dd89326e [0,1,0,0,0,0|3,0,0]=4 1728 B11R1.25 CCC(C)COc1nccs1 534a5123408a807e859f19cf7b5354b2 [0,1,0,0,0,0|2,0,0]=3 1729 B11R1.25 CCC(C)COc1nncs1 01d6e5aba5401ae47e77a39a04572387 [0,1,0,0,0,0|3,0,0]=4 1730 B11R1.25 CCC(C)COn1cccn1 becf077d791e2cc0aeedace549fcea7b [0,1,0,0,0,0|3,0,0]=4 1731 B11R1.25 CCC(C)NCc1cc[nH]c1 9ef07b394785f8d116e3feed59914c1f [0,1,0,0,0,0|3,0,0]=4 1732 B11R1.25 CCC(C)NCc1ccc[nH]1 dfe1641eb23b0efdceb0290726a654e3 [0,1,0,0,0,0|2,0,0]=3 1733 B11R1.25 CCC(C)NCc1ccco1 5f8142dfde0b789474d1611a11bd8a03 [0,1,0,0,0,0|1,1,0]=3 1734 B11R1.25 CCC(C)NCc1cccs1 f4bcf10ac56668adcfee83149ad55330 [0,1,0,0,0,0|1,0,0]=2 1735 B11R1.25 CCC(C)NCc1ccn[nH]1 5af8248065613ae714ef740288f5d9e3 [0,1,0,0,0,0|3,0,0]=4 1736 B11R1.25 CCC(C)NCc1ccno1 6b7721dd1e3e3e0433bff1ba6836da4d [0,1,0,0,0,0|2,1,0]=4 1737 B11R1.25 CCC(C)NCc1ccns1 6e12222a8c95c70020a02e67a80bb564 [0,1,0,0,0,0|2,0,0]=3 1738 B11R1.25 CCC(C)NCc1ccoc1 8c02b655539c9007d5e8f97ef5952ea6 [0,1,0,0,0,0|3,0,0]=4 1739 B11R1.25 CCC(C)NCc1ccon1 f0ba1b7fec8685c635a1841aa831e5bf [0,1,0,0,0,0|3,0,0]=4 1740 B11R1.25 CCC(C)NCc1ccsc1 071312636f13f6094e29f49c4b6d97b8 [0,1,0,0,0,0|3,0,0]=4 1741 B11R1.25 CCC(C)NCc1ccsn1 1bd61f6799ec35faa528b337bf63363f [0,1,0,0,0,0|3,0,0]=4 1742 B11R1.25 CCC(C)NCc1cnc[nH]1 afcf16146b7e36158d5ac62a366e61f1 [0,1,0,0,0,0|3,0,0]=4 1743 B11R1.25 CCC(C)NCc1cnco1 90f8b858aeacae23aced9963d5c562ea [0,1,0,0,0,0|2,1,0]=4 1744 B11R1.25 CCC(C)NCc1cocn1 95653cfc38046df4c595d9332be3f888 [0,1,0,0,0,0|3,0,0]=4 1745 B11R1.25 CCC(C)NCc1cscn1 3f36e14eb8acb2a3868067189729c57a [0,1,0,0,0,0|3,0,0]=4 1746 B11R1.25 CCC(C)NCc1ncc[nH]1 231b7801e3e25e1e656d75e8148ead7a [0,1,0,0,0,0|3,0,0]=4 1747 B11R1.25 CCC(C)NCc1ncco1 b2a3e5f302e72b4baaa7fa833eb43a6d [0,1,0,0,0,0|2,1,0]=4 1748 B11R1.25 CCC(C)NCc1nccs1 f1806a38612384d531431fbb92493421 [0,1,0,0,0,0|2,0,0]=3 1749 B11R1.25 CCC(C)OCc1cc[nH]c1 8f3f6052fcdb822b3d965a714d3b9aad [0,1,0,0,0,0|3,0,0]=4 1750 B11R1.25 CCC(C)OCc1ccc[nH]1 9704405f8dd480f3861820e81be98d46 [0,1,0,0,0,0|2,0,0]=3 1751 B11R1.25 CCC(C)OCc1ccco1 1d3865e51cab5c0be5992c253ab61007 [0,1,0,0,0,0|1,1,0]=3 1752 B11R1.25 CCC(C)OCc1cccs1 ed5b0e54c3ce9b4fbd0e1c89d3109802 [0,1,0,0,0,0|1,0,0]=2 1753 B11R1.25 CCC(C)OCc1ccn[nH]1 3c78b7be05a41fad9b48320ae116ace1 [0,1,0,0,0,0|3,0,0]=4 1754 B11R1.25 CCC(C)OCc1ccno1 94fcccb7febe293d68cfe16855adf0fd [0,1,0,0,0,0|2,1,0]=4 1755 B11R1.25 CCC(C)OCc1ccns1 d78e9793cedc92ec4cb25aae9f2419d2 [0,1,0,0,0,0|2,0,0]=3 1756 B11R1.25 CCC(C)OCc1ccon1 32a6519a8830b341843518eb0942c06a [0,1,0,0,0,0|3,0,0]=4 1757 B11R1.25 CCC(C)OCc1ccsc1 9f2e6bf6ffce700beda1cd6b46d3b590 [0,1,0,0,0,0|3,0,0]=4 1758 B11R1.25 CCC(C)OCc1ccsn1 325fa044018c01cd3b301301402dcb69 [0,1,0,0,0,0|3,0,0]=4 1759 B11R1.25 CCC(C)OCc1cnc[nH]1 cc123ddf4075e08e9c713deab73d32f3 [0,1,0,0,0,0|3,0,0]=4 1760 B11R1.25 CCC(C)OCc1cnco1 059c8f478f925dc69280728cc4c60315 [0,1,0,0,0,0|2,1,0]=4 1761 B11R1.25 CCC(C)OCc1cocn1 76d0ce33b3982f6b55613b2bad799bba [0,1,0,0,0,0|3,0,0]=4 1762 B11R1.25 CCC(C)OCc1cscn1 0614ad1eb89bf66a4d97c59a7d0987f1 [0,1,0,0,0,0|3,0,0]=4 1763 B11R1.25 CCC(C)OCc1ncc[nH]1 39447ce50b3391ec5951144939042b20 [0,1,0,0,0,0|3,0,0]=4 1764 B11R1.25 CCC(C)OCc1ncco1 904158ce6bcd0097d4f0ca8fee5a984d [0,1,0,0,0,0|2,1,0]=4 1765 B11R1.25 CCC(C)OCc1nccs1 d5b27e792ce284504f9f4dced85178ec [0,1,0,0,0,0|2,0,0]=3 1766 B11R1.25 CCC(C)OCc1ncns1 e70afd608d71bd7f9e20f942cf3fe2e7 [0,1,0,0,0,0|3,0,0]=4 1767 B11R1.25 CCC(C)OCn1cccn1 e9eef6f41ed2720c01b6aaec2fb015b0 [0,1,0,0,0,0|3,0,0]=4 1768 B11R1.25 CCC(O)CNc1c[nH]cn1 352f239535f2fa9e21fefff4fbb1d58d [0,1,0,0,0,0|3,0,0]=4 1769 B11R1.25 CCC(O)CNc1cc[nH]n1 8305884153ff2eeb09ff583c1527d22e [0,1,0,0,0,0|3,0,0]=4 1770 B11R1.25 CCC(O)CNc1ccno1 e4c9e77ab0e3772491579fa432d98499 [0,1,0,0,0,0|2,1,0]=4 1771 B11R1.25 CCC(O)CNc1ccns1 86b9a1c760dd9df372e8f99e624e17ea [0,1,0,0,0,0|2,0,0]=3 1772 B11R1.25 CCC(O)CNc1ccoc1 af3de1eebca676b63539dc0f61addb24 [0,1,0,0,0,0|3,0,0]=4 1773 B11R1.25 CCC(O)CNc1ccon1 7f062967dc6c838e1b2296c75ebd2e6a [0,1,0,0,0,0|3,0,0]=4 1774 B11R1.25 CCC(O)CNc1ccsc1 0e260aa3c6da0b07eb63be37c7451a28 [0,1,0,0,0,0|3,0,0]=4 1775 B11R1.25 CCC(O)CNc1cncs1 4c875133b68aa2783e93c7cf6c4d6190 [0,1,0,0,0,0|2,0,0]=3 1776 B11R1.25 CCC(O)CNc1cnns1 93ae26d46ee6f614872f0a20bd1db6e8 [0,1,0,0,0,0|3,0,0]=4 1777 B11R1.25 CCC(O)CNc1cocn1 68daa871b418e04072881a5010c884b1 [0,1,0,0,0,0|3,0,0]=4 1778 B11R1.25 CCC(O)CNc1cscn1 145c0fe33b6ad1db5da4cba5212e335d [0,1,0,0,0,0|3,0,0]=4 1779 B11R1.25 CCC(O)CNc1ncc[nH]1 b5253a0dacb763b45f456b2b904ee950 [0,1,0,0,0,0|3,0,0]=4 1780 B11R1.25 CCC(O)CNc1ncco1 07030d95b264524e26936f7ebb505323 [0,1,0,0,0,0|2,1,0]=4 1781 B11R1.25 CCC(O)CNc1nccs1 19df48c4da5478fe504cd24a1465b4e0 [0,1,0,0,0,0|2,0,0]=3 1782 B11R1.25 CCC(O)CNc1ncns1 db6710abaf0f0c9f92c2623fbc4204b1 [0,1,0,0,0,0|3,0,0]=4 1783 B11R1.25 CCC(O)CNc1nncs1 4dda7b8de0d0d556752f487e095c956c [0,1,0,0,0,0|3,0,0]=4 1784 B11R1.25 CCN(C)CCc1c[nH]cn1 6d06ee2cf4ac187e9996d3f73566a236 [0,1,0,0,0,0|3,0,0]=4 1785 B11R1.25 CCN(C)CCc1cccs1 ba1df1d99619458f39bdb79d38c399fb [0,1,0,0,0,0|1,0,0]=2 1786 B11R1.25 CCN(C)CCc1ccsc1 51f474b26424a145f9d9f689b0c20889 [0,1,0,0,0,0|3,0,0]=4 1787 B11R1.25 CCN(C)CCc1cscn1 76be0f92bc1b84a0ed347bab3fa7389a [0,1,0,0,0,0|3,0,0]=4 1788 B11R1.25 CCN(C)CCn1cccc1 982a42fb95ee405d75fe829544f4fb09 [0,1,0,0,0,0|3,0,0]=4 1789 B11R1.25 CCN(C)CCn1cccn1 b8bfc7d6528e28001c46007c21090465 [0,1,0,0,0,0|3,0,0]=4 1790 B11R1.25 CC[C@@H](C)CNc1cc[nH]n1 a9f5d93cfb14e450b281e019b27981e6 [0,1,0,0,0,0|3,0,0]=4 1791 B11R1.25 CC[C@@H](C)CNc1cccs1 f88bb69c6e9f83a12f594a06fdf66307 [0,1,0,0,0,0|1,0,0]=2 1792 B11R1.25 CC[C@@H](C)CNc1ccno1 825c423f1286c93d9e043adba244ddc6 [0,1,0,0,0,0|2,1,0]=4 1793 B11R1.25 CC[C@@H](C)CNc1ccns1 d30439f1c5b6db33e78dda7b3f68a606 [0,1,0,0,0,0|2,0,0]=3 1794 B11R1.25 CC[C@@H](C)CNc1ccon1 63c3c0769c080dc40442f672775021d1 [0,1,0,0,0,0|3,0,0]=4 1795 B11R1.25 CC[C@@H](C)CNc1ccsc1 2c95cc70794e9023b5847e17c3f69511 [0,1,0,0,0,0|3,0,0]=4 1796 B11R1.25 CC[C@@H](C)CNc1cncs1 cf5e2aa6ab1d5f12d4f6c91883685155 [0,1,0,0,0,0|2,0,0]=3 1797 B11R1.25 CC[C@@H](C)CNc1cnns1 e1e059cfd2c353a9553583e5005285e1 [0,1,0,0,0,0|3,0,0]=4 1798 B11R1.25 CC[C@@H](C)CNc1cocn1 53bb98b1c36fe3bbe10b223e69d2e918 [0,1,0,0,0,0|3,0,0]=4 1799 B11R1.25 CC[C@@H](C)CNc1cscn1 238a945bbd462f88863f62f195ae040e [0,1,0,0,0,0|3,0,0]=4 1800 B11R1.25 CC[C@@H](C)CNc1ncc[nH]1 27ddb121146d7a2088e49581d982e416 [0,1,0,0,0,0|3,0,0]=4 1801 B11R1.25 CC[C@@H](C)CNc1ncco1 27405b8857f0fa342cdba4ca8b725aad [0,1,0,0,0,0|2,1,0]=4 1802 B11R1.25 CC[C@@H](C)CNc1nccs1 86e4ed310c9b665501173f790eb317b4 [0,1,0,0,0,0|2,0,0]=3 1803 B11R1.25 CC[C@@H](C)CNc1ncns1 22e93aa5e37d59aad963d94bc45fef5a [0,1,0,0,0,0|3,0,0]=4 1804 B11R1.25 CC[C@@H](C)CNc1nncs1 6551f6a3ef4312128d1e551902ae70ca [0,1,0,0,0,0|3,0,0]=4 1805 B11R1.25 CC[C@@H](C)COc1c[nH]cn1 e2fd17a4f003ab36044266e600b814d9 [0,1,0,0,0,0|3,0,0]=4 1806 B11R1.25 CC[C@@H](C)COc1ccco1 fe756872e20a8d4589f7190b98a97cbb [0,1,0,0,0,0|1,1,0]=3 1807 B11R1.25 CC[C@@H](C)COc1cccs1 a8a82373e9b283f8c47ede5693410289 [0,1,0,0,0,0|1,0,0]=2 1808 B11R1.25 CC[C@@H](C)COc1ccn[nH]1 bbd8d839b169aa7c6a503d6af77f52a4 [0,1,0,0,0,0|3,0,0]=4 1809 B11R1.25 CC[C@@H](C)COc1ccsc1 941a6702b3917cd622c8b2f6d24bd6ce [0,1,0,0,0,0|3,0,0]=4 1810 B11R1.25 CC[C@@H](C)COc1nccs1 0f0cba1ec56fc9fe075c3ad4382f1654 [0,1,0,0,0,0|2,0,0]=3 1811 B11R1.25 CC[C@@H](C)COc1nncs1 120c0e733b51fbb916a47753125960be [0,1,0,0,0,0|3,0,0]=4 1812 B11R1.25 CC[C@@H](C)COn1cccn1 5f8dd20ec4ef613bf9aad4e16a58dbe2 [0,1,0,0,0,0|3,0,0]=4 1813 B11R1.25 CC[C@@H](C)NCc1cccs1 176e8bf973939cacbab0c9f61c945a33 [0,1,0,0,0,0|1,0,0]=2 1814 B11R1.25 CC[C@@H](C)NCc1ccno1 ab9839e4d0b66cc90181dc4b2bbd4ecd [0,1,0,0,0,0|2,1,0]=4 1815 B11R1.25 CC[C@@H](C)NCc1ccon1 7c194756c2d4b22893e5255ce3ae51df [0,1,0,0,0,0|3,0,0]=4 1816 B11R1.25 CC[C@@H](C)NCc1ccsc1 23e937cab11f6f1e01ec241e5cabd389 [0,1,0,0,0,0|3,0,0]=4 1817 B11R1.25 CC[C@@H](C)NCc1cnc[nH]1 3772e2678a12e095162cf48dee691b8c [0,1,0,0,0,0|3,0,0]=4 1818 B11R1.25 CC[C@@H](C)NCc1cocn1 4d1e2f4a41b28f69f764c2b35178e560 [0,1,0,0,0,0|3,0,0]=4 1819 B11R1.25 CC[C@@H](C)NCc1cscn1 bc8ebedea57c41ec98f92548173bf5a6 [0,1,0,0,0,0|3,0,0]=4 1820 B11R1.25 CC[C@@H](C)NCc1ncc[nH]1 40dfb055566880d8936bdd2397f2510d [0,1,0,0,0,0|3,0,0]=4 1821 B11R1.25 CC[C@@H](C)NCc1ncco1 bf3cc43e5d4513b5b816d55d67b8664e [0,1,0,0,0,0|2,1,0]=4 1822 B11R1.25 CC[C@@H](C)NCc1nccs1 3696c22674463bf4a1fc394b63b8e0e2 [0,1,0,0,0,0|2,0,0]=3 1823 B11R1.25 CC[C@@H](C)OCc1ccco1 a76b1dfd367e870139dad05cc969c789 [0,1,0,0,0,0|1,1,0]=3 1824 B11R1.25 CC[C@@H](C)OCc1cccs1 3647e5c786191fbccae15396ed3cbc17 [0,1,0,0,0,0|1,0,0]=2 1825 B11R1.25 CC[C@@H](C)OCc1ccno1 e9aa7ca8f00eb8584079f6748a3aa810 [0,1,0,0,0,0|2,1,0]=4 1826 B11R1.25 CC[C@@H](C)OCc1ccon1 f479e4939879d806b3bee6c276beeac7 [0,1,0,0,0,0|3,0,0]=4 1827 B11R1.25 CC[C@@H](C)OCc1ccsc1 87d13b0324c22f47d422c68cae09d978 [0,1,0,0,0,0|3,0,0]=4 1828 B11R1.25 CC[C@@H](C)OCc1cocn1 a3334214bcbdbcee0a28a0043a3b6704 [0,1,0,0,0,0|3,0,0]=4 1829 B11R1.25 CC[C@@H](C)OCc1cscn1 79ca41c10e3826388b2ad4e16031242f [0,1,0,0,0,0|3,0,0]=4 1830 B11R1.25 CC[C@@H](C)OCc1ncc[nH]1 f832afe3d0883dca96404e072f71257c [0,1,0,0,0,0|3,0,0]=4 1831 B11R1.25 CC[C@@H](C)OCc1ncco1 a31617493743d569d00eac329d66c5a7 [0,1,0,0,0,0|2,1,0]=4 1832 B11R1.25 CC[C@@H](C)OCc1nccs1 b635d6b73497b300b93deccd1879dff5 [0,1,0,0,0,0|2,0,0]=3 1833 B11R1.25 CC[C@@H](O)CNc1c[nH]cn1 882c08a9289b2aae2b5b9dea4365d242 [0,1,0,0,0,0|3,0,0]=4 1834 B11R1.25 CC[C@@H](O)CNc1ccns1 d93705375c82df933c6ca98cc7773041 [0,1,0,0,0,0|2,0,0]=3 1835 B11R1.25 CC[C@@H](O)CNc1ccoc1 adb57c64716ed05698c95128eb081729 [0,1,0,0,0,0|3,0,0]=4 1836 B11R1.25 CC[C@@H](O)CNc1ncco1 2eb07283e2f4550a6a54c236f764da8a [0,1,0,0,0,0|2,1,0]=4 1837 B11R1.25 CC[C@@H](O)CNc1nccs1 363bddd81469c5defd006f53566f7e9f [0,1,0,0,0,0|2,0,0]=3 1838 B11R1.25 CC[C@H](C)CNc1c[nH]cn1 31504ffae08635387f8f401604ae2d55 [0,1,0,0,0,0|3,0,0]=4 1839 B11R1.25 CC[C@H](C)CNc1cc[nH]n1 d873a488e23bccccff27bcb9ed632ee0 [0,1,0,0,0,0|3,0,0]=4 1840 B11R1.25 CC[C@H](C)CNc1cccs1 528b0369c1a80c82b116b99478794ea0 [0,1,0,0,0,0|1,0,0]=2 1841 B11R1.25 CC[C@H](C)CNc1ccno1 0cbcc2c829e154c2a9c9cdef8e9db895 [0,1,0,0,0,0|2,1,0]=4 1842 B11R1.25 CC[C@H](C)CNc1ccns1 8fc30836bd50e68a0519b049e5aa9f78 [0,1,0,0,0,0|2,0,0]=3 1843 B11R1.25 CC[C@H](C)CNc1ccoc1 04df10668397f8172e021865054bc0ae [0,1,0,0,0,0|3,0,0]=4 1844 B11R1.25 CC[C@H](C)CNc1ccon1 036d5e1fae4813e9f7cac2413ed8ab57 [0,1,0,0,0,0|3,0,0]=4 1845 B11R1.25 CC[C@H](C)CNc1ccsc1 2bfb920422c2c6f65065cff1d4c7c403 [0,1,0,0,0,0|3,0,0]=4 1846 B11R1.25 CC[C@H](C)CNc1cncs1 f06040d46f131bdeefb59d80a31fa236 [0,1,0,0,0,0|2,0,0]=3 1847 B11R1.25 CC[C@H](C)CNc1cnns1 e26d3422ac3f7cf59d1a9fa5776da8a2 [0,1,0,0,0,0|3,0,0]=4 1848 B11R1.25 CC[C@H](C)CNc1cocn1 8a1e1363b618ac7ecb6acd6a9f3b3679 [0,1,0,0,0,0|3,0,0]=4 1849 B11R1.25 CC[C@H](C)CNc1cscn1 46938cc590189f82a7ae3b9488b01b4d [0,1,0,0,0,0|3,0,0]=4 1850 B11R1.25 CC[C@H](C)CNc1ncc[nH]1 0441c54ca5c0f34b78fee0ce00a40db6 [0,1,0,0,0,0|3,0,0]=4 1851 B11R1.25 CC[C@H](C)CNc1ncco1 d706acc2b66dd572d8d748bd2230e850 [0,1,0,0,0,0|2,1,0]=4 1852 B11R1.25 CC[C@H](C)CNc1nccs1 5999010e82803f13c7c51e869e43576e [0,1,0,0,0,0|2,0,0]=3 1853 B11R1.25 CC[C@H](C)CNc1ncns1 5a8a868a39a5d077f048522f59e54955 [0,1,0,0,0,0|3,0,0]=4 1854 B11R1.25 CC[C@H](C)CNc1nncs1 fda277b60ec05d135b996ad9e3676b19 [0,1,0,0,0,0|3,0,0]=4 1855 B11R1.25 CC[C@H](C)COc1c[nH]cn1 af1b05be2d0b3b21c6ae7f26b601ccc6 [0,1,0,0,0,0|3,0,0]=4 1856 B11R1.25 CC[C@H](C)COc1ccco1 350557fd898c2c60bb4ffc046ace81ec [0,1,0,0,0,0|1,1,0]=3 1857 B11R1.25 CC[C@H](C)COc1cccs1 a1cf12afbd0571b4289f48578ecfad7c [0,1,0,0,0,0|1,0,0]=2 1858 B11R1.25 CC[C@H](C)COc1ccn[nH]1 6522bbc6a25f7765ff8106f29030295a [0,1,0,0,0,0|3,0,0]=4 1859 B11R1.25 CC[C@H](C)COc1ccsc1 08e6848fcfd20daf08ae271ed6df09f0 [0,1,0,0,0,0|3,0,0]=4 1860 B11R1.25 CC[C@H](C)COc1nccs1 4351045ddfb572a1de0480c3f9f67325 [0,1,0,0,0,0|2,0,0]=3 1861 B11R1.25 CC[C@H](C)COc1nncs1 1dc35b21aa338a83bd17f287e9ddd1de [0,1,0,0,0,0|3,0,0]=4 1862 B11R1.25 CC[C@H](C)COn1cccn1 c43f2f602d3a4388eb0c5131ed766d1b [0,1,0,0,0,0|3,0,0]=4 1863 B11R1.25 CC[C@H](C)NCc1cccs1 cc8e2cf48d22633247d559ee5b10c832 [0,1,0,0,0,0|1,0,0]=2 1864 B11R1.25 CC[C@H](C)NCc1ccno1 adb88b7e94f1d6acd9c7822be912701d [0,1,0,0,0,0|2,1,0]=4 1865 B11R1.25 CC[C@H](C)NCc1ccon1 01da349bff64e08285e9934d70833776 [0,1,0,0,0,0|3,0,0]=4 1866 B11R1.25 CC[C@H](C)NCc1ccsc1 6a0a804c53358ae48257d4de0aa8174d [0,1,0,0,0,0|3,0,0]=4 1867 B11R1.25 CC[C@H](C)NCc1cnc[nH]1 b0bbe75cb2d204c31af639b6bc3755b8 [0,1,0,0,0,0|3,0,0]=4 1868 B11R1.25 CC[C@H](C)NCc1cocn1 3d6dea379e0d08202473245169db556d [0,1,0,0,0,0|3,0,0]=4 1869 B11R1.25 CC[C@H](C)NCc1cscn1 7c1ff44812c2b9f5f2e5b8a18da39124 [0,1,0,0,0,0|3,0,0]=4 1870 B11R1.25 CC[C@H](C)NCc1ncc[nH]1 e63d9b904ec8dfb1fe1ce445c10d7a2d [0,1,0,0,0,0|3,0,0]=4 1871 B11R1.25 CC[C@H](C)NCc1ncco1 5fac855b5b0c1bc33b4cf33f54d7dc74 [0,1,0,0,0,0|2,1,0]=4 1872 B11R1.25 CC[C@H](C)NCc1nccs1 8f56052b04c82fa642a57b186989db05 [0,1,0,0,0,0|2,0,0]=3 1873 B11R1.25 CC[C@H](C)OCc1ccco1 f9cdf73fec17b5adbe5d6d95690f8ec6 [0,1,0,0,0,0|1,1,0]=3 1874 B11R1.25 CC[C@H](C)OCc1cccs1 bd45cdf2dba9c6543a04d66b2d5ac835 [0,1,0,0,0,0|1,0,0]=2 1875 B11R1.25 CC[C@H](C)OCc1ccno1 b81865c4874326d6b759a188a29873b1 [0,1,0,0,0,0|2,1,0]=4 1876 B11R1.25 CC[C@H](C)OCc1ccon1 fc6bd14a0bc3040ebe193daf0a42265e [0,1,0,0,0,0|3,0,0]=4 1877 B11R1.25 CC[C@H](C)OCc1ccsc1 eece2c50364b12157d82dbdea6704f0f [0,1,0,0,0,0|3,0,0]=4 1878 B11R1.25 CC[C@H](C)OCc1cocn1 4083c839d7e4833247919dcbade8b4ec [0,1,0,0,0,0|3,0,0]=4 1879 B11R1.25 CC[C@H](C)OCc1cscn1 c0b1bb4c83484cc13917e4eaf88a9c45 [0,1,0,0,0,0|3,0,0]=4 1880 B11R1.25 CC[C@H](C)OCc1ncc[nH]1 82ac3bb5d59644b7594b30e475cb48e3 [0,1,0,0,0,0|3,0,0]=4 1881 B11R1.25 CC[C@H](C)OCc1ncco1 48bd22762b919f6018f53ef0d0fd1aa4 [0,1,0,0,0,0|2,1,0]=4 1882 B11R1.25 CC[C@H](C)OCc1nccs1 61b9f5f48e5d78c76237e2a5cbc8d384 [0,1,0,0,0,0|2,0,0]=3 1883 B11R1.25 CN(C=O)CCc1cccs1 2d56ad68d9909e2002ac43c88c0f1e93 [0,1,0,0,0,0|2,0,1]=4 1884 B11R1.25 CN(CO)CCc1cccs1 2c618cafcfd691f591f410a932ec48ac [0,1,0,0,0,0|2,0,0]=3 1885 B11R1.25 CNC(=O)CNc1cccs1 6f087d70dc1595761c626ef8cc8ed2e1 [0,1,0,0,0,0|2,0,1]=4 1886 B11R1.25 CNC(=O)COc1cccs1 591444907ff3d0e617e25662bdc82222 [0,1,0,0,0,0|2,0,1]=4 1887 B11R1.25 COC(=O)CNc1cccs1 59d52dc657b50ac2b04e7700320d3026 [0,1,0,0,0,0|2,0,1]=4 1888 B11R1.25 COC(=O)COc1cccs1 700d40abb2597ef2d3922f15e3e62a6a [0,1,0,0,0,0|2,0,1]=4 1889 B11R1.25 COC(C)CNc1cccs1 c4c2fecde12301d8b0282dddfd2f9504 [0,1,0,0,0,0|2,0,0]=3 1890 B11R1.25 COC(C)CNc1ccns1 d0791ea3aa54afa1c63fda66d0a1392c [0,1,0,0,0,0|3,0,0]=4 1891 B11R1.25 COC(C)CNc1cncs1 6a22f5c81aedba5938e860291758fcd6 [0,1,0,0,0,0|3,0,0]=4 1892 B11R1.25 COC(C)CNc1nccs1 00778b03f14c0bcfd011ef7bd17b59b6 [0,1,0,0,0,0|3,0,0]=4 1893 B11R1.25 COC(C)COc1ccco1 93065ea5c69b6fbdb33bcca608d73f09 [0,1,0,0,0,0|2,1,0]=4 1894 B11R1.25 COC(C)COc1cccs1 9f10d3bbe54420e35376d35fa4ea22f5 [0,1,0,0,0,0|2,0,0]=3 1895 B11R1.25 COC(C)COc1nccs1 cf8fd5885895a6303ee103a08d951f86 [0,1,0,0,0,0|3,0,0]=4 1896 B11R1.25 CO[C@@H](C)CNc1cccs1 525908e5c54683eedd0d5312dda56c1f [0,1,0,0,0,0|2,0,0]=3 1897 B11R1.25 CO[C@@H](C)CNc1ccns1 418ae9158b4440b261d2d82244efcded [0,1,0,0,0,0|3,0,0]=4 1898 B11R1.25 CO[C@@H](C)CNc1cncs1 38381a82763fa9f20cce1adf8307212e [0,1,0,0,0,0|3,0,0]=4 1899 B11R1.25 CO[C@@H](C)CNc1nccs1 9c2f6a90c7adeb3bd7ae0372498d9bd5 [0,1,0,0,0,0|3,0,0]=4 1900 B11R1.25 CO[C@@H](C)COc1ccco1 e557909e371149b446b7f97226f650cc [0,1,0,0,0,0|2,1,0]=4 1901 B11R1.25 CO[C@@H](C)COc1cccs1 f1cbc3c28cc6639889fa3b36ddc0bb2a [0,1,0,0,0,0|2,0,0]=3 1902 B11R1.25 CO[C@@H](C)COc1nccs1 e885e8427d79e38c383343cc7b673252 [0,1,0,0,0,0|3,0,0]=4 1903 B11R1.25 CO[C@H](C)CNc1cccs1 2c7e909abe7649dec8a45da80c668e6e [0,1,0,0,0,0|2,0,0]=3 1904 B11R1.25 CO[C@H](C)CNc1ccns1 fd4d7ef861e7b493182ca1ddb55f33d2 [0,1,0,0,0,0|3,0,0]=4 1905 B11R1.25 CO[C@H](C)CNc1cncs1 6fe7f2cdb7473752defda5eae0f4062a [0,1,0,0,0,0|3,0,0]=4 1906 B11R1.25 CO[C@H](C)CNc1nccs1 2e550c90971226a368e67d78fc935eda [0,1,0,0,0,0|3,0,0]=4 1907 B11R1.25 CO[C@H](C)COc1ccco1 a1992187ae1c40f3e1e43f18845ac2cf [0,1,0,0,0,0|2,1,0]=4 1908 B11R1.25 CO[C@H](C)COc1cccs1 4cf78b41a8911247d096ddceaf26e53e [0,1,0,0,0,0|2,0,0]=3 1909 B11R1.25 CO[C@H](C)COc1nccs1 d0407cb9d58749d49ee7c6e61972e80d [0,1,0,0,0,0|3,0,0]=4 1910 B11R1.25 C[C@@H](CO)CNc1cccs1 3c221bbfdbd70a2e7151c5eaca058c12 [0,1,0,0,0,0|2,0,0]=3 1911 B11R1.25 C[C@@H](CO)CNc1ccns1 5f9bcadb40bc3d37b1b12e7eff9df408 [0,1,0,0,0,0|3,0,0]=4 1912 B11R1.25 C[C@@H](CO)CNc1cncs1 fadad16473e86f085542c74266bccdc8 [0,1,0,0,0,0|3,0,0]=4 1913 B11R1.25 C[C@@H](CO)CNc1nccs1 fa78a702ed6cdfe8b3a69b5b2cd7e36c [0,1,0,0,0,0|3,0,0]=4 1914 B11R1.25 C[C@@H](CO)NCc1ccc[nH]1 ef9ac39ef16e2c829e4a3ac58e5822d9 [0,1,0,0,0,0|3,0,0]=4 1915 B11R1.25 C[C@@H](CO)NCc1ccco1 2b9b1d2922178f6f79ded161cd99a8d3 [0,1,0,0,0,0|2,1,0]=4 1916 B11R1.25 C[C@@H](CO)NCc1cccs1 d8fcc910bc3e48f8aa76ce1963b2b15b [0,1,0,0,0,0|2,0,0]=3 1917 B11R1.25 C[C@@H](CO)NCc1ccns1 5965e4f129bf38f828ed4e680479b2b6 [0,1,0,0,0,0|3,0,0]=4 1918 B11R1.25 C[C@@H](CO)NCc1nccs1 7bf863cb58ad7adf84b7bd1ef9af735f [0,1,0,0,0,0|3,0,0]=4 1919 B11R1.25 C[C@H](C=O)NCc1cccs1 f1b634559d3c233eca5b084f151981a9 [0,1,0,0,0,0|2,0,1]=4 1920 B11R1.25 C[C@H](C=O)OCc1cccs1 b73d770e559d720c16e6aeb8d7811078 [0,1,0,0,0,0|2,0,1]=4 1921 B11R1.25 C[C@H](CO)CNc1ccco1 1f73a8f603f63c0fa3041d3cfeae2992 [0,1,0,0,0,0|2,1,0]=4 1922 B11R1.25 C[C@H](CO)CNc1cccs1 9da4c361a8dcef4f13e49dae1801c663 [0,1,0,0,0,0|2,0,0]=3 1923 B11R1.25 C[C@H](CO)CNc1ccns1 5687755a056ef7e0eb328b75c719cf5a [0,1,0,0,0,0|3,0,0]=4 1924 B11R1.25 C[C@H](CO)CNc1cncs1 9c86707177ec44851af0e7d9138435f7 [0,1,0,0,0,0|3,0,0]=4 1925 B11R1.25 C[C@H](CO)CNc1nccs1 650dd120adab65e70b895e18e01b45f6 [0,1,0,0,0,0|3,0,0]=4 1926 B11R1.25 C[C@H](CO)NCc1ccc[nH]1 7318914e1b5735f2e8c544fefe9a8c93 [0,1,0,0,0,0|3,0,0]=4 1927 B11R1.25 C[C@H](CO)NCc1ccco1 d1c1d3584d51f54226efd246214dd928 [0,1,0,0,0,0|2,1,0]=4 1928 B11R1.25 C[C@H](CO)NCc1cccs1 3a6767b03ae7d2d9b73ba88d96827a42 [0,1,0,0,0,0|2,0,0]=3 1929 B11R1.25 C[C@H](CO)NCc1ccns1 c47379910a899ce88099630fc7737527 [0,1,0,0,0,0|3,0,0]=4 1930 B11R1.25 C[C@H](CO)NCc1nccs1 0e5fb1b65b8f2046594f43dc9e4bfc20 [0,1,0,0,0,0|3,0,0]=4 1931 B11R1.25 C[C@H](CS)OCc1cccs1 4b5c8f53d7fe4176851f153a261ea2f8 [0,1,0,0,0,0|2,0,0]=3 1932 B11R1.25 C[C@H](CS)OCc1nccs1 9bd59887f74104a6e007092c8ece4871 [0,1,0,0,0,0|3,0,0]=4 1933 B11R1.25 O=C(CF)NCc1cccs1 da3b7d350577e65c6692e055abd20b60 [0,1,0,0,0,0|2,0,1]=4 1934 B11R1.25 O=C(CO)CNc1cccs1 2fa55ac8bbb5c873ad00e48a9966c29f [0,1,0,0,0,0|2,0,1]=4 1935 B11R1.25 O=C(CO)NCc1cccs1 99ae0ae91c0a822e251b5bff14f6cde8 [0,1,0,0,0,0|2,0,1]=4 1936 B11R1.25 O=C(CS)NCc1cccs1 ae334004146e0d855e3ddc67faa76e34 [0,1,0,0,0,0|2,0,1]=4 1937 B11R1.25 OC(CF)CNc1cccs1 b7f9fa2424c1fe424a39adfe29d1078f [0,1,0,0,0,0|2,0,0]=3 1938 B11R1.25 OC(CF)CNc1ccns1 f06298cf2b9905cb27dcf55fd09a1f81 [0,1,0,0,0,0|3,0,0]=4 1939 B11R1.25 OC(CF)CNc1cncs1 3db8fd1f0e65a1a2c536cece9166c6b1 [0,1,0,0,0,0|3,0,0]=4 1940 B11R1.25 OC(CF)CNc1nccs1 68bdffacb0498271aca7323e06a4d3ed [0,1,0,0,0,0|3,0,0]=4 1941 B11R1.25 OCC(F)CNc1ccco1 6118cd8fe03f23b4b857d00ba0954269 [0,1,0,0,0,0|2,1,0]=4 1942 B11R1.25 OCC(F)CNc1cccs1 2ffa652a6467044b21a79f4f92d84d7f [0,1,0,0,0,0|2,0,0]=3 1943 B11R1.25 OCC(F)CNc1ccns1 69a4eabfdf8e5e6073d2522a466f2de7 [0,1,0,0,0,0|3,0,0]=4 1944 B11R1.25 OCC(F)CNc1cncs1 495f84e0f6bb5d96a689e192d6ac71bc [0,1,0,0,0,0|3,0,0]=4 1945 B11R1.25 OCC(F)CNc1nccs1 659b637c11b93a08d20d9598715d38f7 [0,1,0,0,0,0|3,0,0]=4 1946 B11R1.25 OCC(O)CNc1ccco1 7b9c5f5e56970f10dc520432573197fd [0,1,0,0,0,0|2,1,0]=4 1947 B11R1.25 OCC(O)CNc1cccs1 77c982f409918a86c11fe0b9627df5b8 [0,1,0,0,0,0|2,0,0]=3 1948 B11R1.25 OCC(O)CNc1ccns1 95532ee974bdb6296f61180470fc1f0c [0,1,0,0,0,0|3,0,0]=4 1949 B11R1.25 OCC(O)CNc1cncs1 1449131ec2917322cb443b5eebdf870f [0,1,0,0,0,0|3,0,0]=4 1950 B11R1.25 OCC(O)CNc1nccs1 491b283a73c5005e96beb753f0a280b5 [0,1,0,0,0,0|3,0,0]=4 1951 B11R1.25 OCC(O)COc1ccco1 dc2d0395a69f183df492a923cb6135fe [0,1,0,0,0,0|2,1,0]=4 1952 B11R1.25 OCC(O)COc1cccs1 d942cc2b9f99552b080fa14953e7f6d4 [0,1,0,0,0,0|2,0,0]=3 1953 B11R1.25 OCC(O)COc1nccs1 bed98510466de6debbd6f17b03b7ab6a [0,1,0,0,0,0|3,0,0]=4 1954 B11R1.25 OC[C@@H](F)CNc1ccco1 dcc7f4fd9bf37253e26a69daeac1ef88 [0,1,0,0,0,0|2,1,0]=4 1955 B11R1.25 OC[C@@H](F)CNc1cccs1 93bf8203c8e88077e5ae253581841ef9 [0,1,0,0,0,0|2,0,0]=3 1956 B11R1.25 OC[C@@H](F)CNc1ccns1 b0e9dcbdcd1d2bdcf22e3847c3290371 [0,1,0,0,0,0|3,0,0]=4 1957 B11R1.25 OC[C@@H](F)CNc1cncs1 b0e30d9ac2658d0c4b4b04d1f6eeae83 [0,1,0,0,0,0|3,0,0]=4 1958 B11R1.25 OC[C@@H](F)CNc1nccs1 14f38ffc5d931b46304f54d6bb12bb35 [0,1,0,0,0,0|3,0,0]=4 1959 B11R1.25 OC[C@@H](O)CNc1ccco1 5bdffd493ff70e4c17df01516b7b710e [0,1,0,0,0,0|2,1,0]=4 1960 B11R1.25 OC[C@@H](O)CNc1cccs1 95f16135754376f05aac9b4c78f1e07f [0,1,0,0,0,0|2,0,0]=3 1961 B11R1.25 OC[C@@H](O)CNc1ccns1 331281a75066cbb77566cda2328c3109 [0,1,0,0,0,0|3,0,0]=4 1962 B11R1.25 OC[C@@H](O)CNc1cncs1 e6fc7fa45ea157f188240ca4a4904ef2 [0,1,0,0,0,0|3,0,0]=4 1963 B11R1.25 OC[C@@H](O)CNc1nccs1 118a9574a103fad184e16d574e4ddc02 [0,1,0,0,0,0|3,0,0]=4 1964 B11R1.25 OC[C@@H](O)COc1ccco1 a2b3e11dbfc8d2a213f5cf3d47f6f47c [0,1,0,0,0,0|2,1,0]=4 1965 B11R1.25 OC[C@@H](O)COc1cccs1 d92ed2c839a3d576bb09ed648bf40a70 [0,1,0,0,0,0|2,0,0]=3 1966 B11R1.25 OC[C@@H](O)COc1nccs1 ae45303dad212eaeebbbc6d20ebbad35 [0,1,0,0,0,0|3,0,0]=4 1967 B11R1.25 OC[C@H](F)CNc1ccco1 b4e843b79edaeee1b9a67a112df8a9b9 [0,1,0,0,0,0|2,1,0]=4 1968 B11R1.25 OC[C@H](F)CNc1cccs1 cbb3b1dd4034dff288f7fa288dcd0424 [0,1,0,0,0,0|2,0,0]=3 1969 B11R1.25 OC[C@H](F)CNc1ccns1 52ced770df2fee54b378c23340f45551 [0,1,0,0,0,0|3,0,0]=4 1970 B11R1.25 OC[C@H](F)CNc1cncs1 9a3d3cfcce630e6420b7ee7392b9b314 [0,1,0,0,0,0|3,0,0]=4 1971 B11R1.25 OC[C@H](F)CNc1nccs1 06952e3c7b15ef937f503fac5ec7ee48 [0,1,0,0,0,0|3,0,0]=4 1972 B11R1.25 OC[C@H](O)CNc1ccco1 9ee578a59bfbcffe6d64fa58e61adc7a [0,1,0,0,0,0|2,1,0]=4 1973 B11R1.25 OC[C@H](O)CNc1cccs1 9de01a47f3216d5764e19045268337bf [0,1,0,0,0,0|2,0,0]=3 1974 B11R1.25 OC[C@H](O)CNc1ccns1 1afc1cd7e2d555001c0e066772278717 [0,1,0,0,0,0|3,0,0]=4 1975 B11R1.25 OC[C@H](O)CNc1cncs1 50ba5fd1e5ee69e92afe30ae4699168d [0,1,0,0,0,0|3,0,0]=4 1976 B11R1.25 OC[C@H](O)CNc1nccs1 65ad87ec10aeb3f29ec2f263711efacc [0,1,0,0,0,0|3,0,0]=4 1977 B11R1.25 OC[C@H](O)COc1ccco1 d2c1f9a4756405de44337580e6551280 [0,1,0,0,0,0|2,1,0]=4 1978 B11R1.25 OC[C@H](O)COc1cccs1 fd38fb97a821305e25676fc64f4b03ce [0,1,0,0,0,0|2,0,0]=3 1979 B11R1.25 OC[C@H](O)COc1nccs1 ac8739591618592e1ba9a74aebc7197d [0,1,0,0,0,0|3,0,0]=4 1980 B11R1.27 BrCCNCc1cc(cs1)Br 04ef7c822974d43586b8f2268d9d8b54 [0,1,0,0,0,0|2,0,0]=3 1981 B11R1.27 BrCCNCc1ccc(s1)Br d43272de563b38bce9ccbeb7d7ab494a [0,1,0,0,0,0|2,0,0]=3 1982 B11R1.27 BrCCNCc1cnc(s1)Br 17895a317dcb4b558ee668b0d4ecc0d2 [0,1,0,0,0,0|3,0,0]=4 1983 B11R1.27 BrCCNCc1nc(cs1)Br 13cea1281e760eee100216d79f5fae54 [0,1,0,0,0,0|3,0,0]=4 1984 B11R1.27 BrCCNCc1ncc(s1)Br ba9d3cef5fdadb0cd62523d9f9c469e2 [0,1,0,0,0,0|3,0,0]=4 1985 B11R1.27 Brc1ccc(s1)CNCCI 2da14314390efb8248c94b41a4048cdb [0,1,0,0,0,0|2,0,0]=3 1986 B11R1.27 Brc1cnc(s1)CNCCI a3f02ac8d291fe8dcc0d9d18f1dd8c71 [0,1,0,0,0,0|3,0,0]=4 1987 B11R1.27 Brc1csc(c1)CNCCI c16f9f17593caced0f9f4bed888ebae4 [0,1,0,0,0,0|2,0,0]=3 1988 B11R1.27 Brc1csc(n1)CNCCI 3857c66dd0497887cf4bbe72679f2864 [0,1,0,0,0,0|3,0,0]=4 1989 B11R1.27 Brc1ncc(s1)CNCCI 236130c81419032d663d4a5ee1a7165c [0,1,0,0,0,0|3,0,0]=4 1990 B11R1.27 C#CCCNc1ccc(s1)Br d6551052172f7d757b6a10bfb8a303a3 [0,1,0,0,0,0|1,0,2]=4 1991 B11R1.27 C#CCCNc1ccc(s1)C 5ed7fbec8a5f5e83f9b93141325792cd [0,1,0,0,0,0|1,0,2]=4 1992 B11R1.27 C#CCCOc1cc(cs1)C b845dcb724ebf994d88b370783b33578 [0,1,0,0,0,0|1,0,2]=4 1993 B11R1.27 C#CCCOc1ccc(s1)Br 5e503ce14bd97f2eed8284a7eb37bbcd [0,1,0,0,0,0|1,0,2]=4 1994 B11R1.27 C#CCNCc1cc(cs1)Br dd8129a57799f1e47edff5a79e32454e [0,1,0,0,0,0|1,0,2]=4 1995 B11R1.27 C#CCNCc1cc(cs1)C 18e074166751b75298e3af2b927cd83f [0,1,0,0,0,0|1,0,2]=4 1996 B11R1.27 C#CCNCc1cc(cs1)Cl 6825931f868aa698a5af3b1e6e9d87da [0,1,0,0,0,0|1,0,2]=4 1997 B11R1.27 C#CCNCc1ccc(s1)Br ac863089e1da18fcb332db871b0c0453 [0,1,0,0,0,0|1,0,2]=4 1998 B11R1.27 C#CCNCc1ccc(s1)C d97ff5f0ac6c3adeea28508886a1f50e [0,1,0,0,0,0|1,0,2]=4 1999 B11R1.27 C#CCNCc1ccc(s1)Cl c68fda7542e3e6179912d7900467c3a8 [0,1,0,0,0,0|1,0,2]=4 2000 B11R1.27 C#CCNCc1ccc(s1)F 692ccc4b5318f7e9fb9dc3591bde4576 [0,1,0,0,0,0|1,0,2]=4 2001 B11R1.27 C#CCOCc1cc(cs1)Br e537eb2654b5c232c28702a282d0d652 [0,1,0,0,0,0|1,0,2]=4 2002 B11R1.27 C#CCOCc1cc(cs1)C 388988dcaba65c1a8a4a60f15fedbbbc [0,1,0,0,0,0|1,0,2]=4 2003 B11R1.27 C#CCOCc1cc(cs1)Cl 80896abc53953a3d9b2c9be0a084c86b [0,1,0,0,0,0|1,0,2]=4 2004 B11R1.27 C#CCOCc1ccc(s1)Br fa8fec2fbd5433519e8abd7ee12004c1 [0,1,0,0,0,0|1,0,2]=4 2005 B11R1.27 C#CCOCc1ccc(s1)C 9000dabf79afcabbba642be787ea85a2 [0,1,0,0,0,0|1,0,2]=4 2006 B11R1.27 C#CCOCc1ccc(s1)Cl 0335a5c5a3e4eb89554f69dba456279c [0,1,0,0,0,0|1,0,2]=4 2007 B11R1.27 C#CCOCc1ccc(s1)F 45a83b4200d0f5097a9ee62f091838c1 [0,1,0,0,0,0|1,0,2]=4 2008 B11R1.27 C/C=C/CNc1ccc(s1)Br bd3c16180be12a8cdc4335def434af37 [0,1,0,0,0,0|1,0,2]=4 2009 B11R1.27 C/C=C/CNc1ccc(s1)C 7ab0eac2e552832b2c224a374ae0c4b0 [0,1,0,0,0,0|1,0,2]=4 2010 B11R1.27 C/C=C/COc1cc(cs1)C 4b496b1783e8baa6462f7d7cd6734144 [0,1,0,0,0,0|1,0,2]=4 2011 B11R1.27 C/C=C/COc1ccc(s1)Br ea57dbd0b851957d6fe1feed1dee4a8c [0,1,0,0,0,0|1,0,2]=4 2012 B11R1.27 C/C=C\CNc1ccc(s1)Br 507a3854654b9e5ccb9947fe0b9e0e5f [0,1,0,0,0,0|1,0,2]=4 2013 B11R1.27 C/C=C\CNc1ccc(s1)C 8250246f266b79c42d96d701a6f13bd4 [0,1,0,0,0,0|1,0,2]=4 2014 B11R1.27 C/C=C\COc1cc(cs1)C 5288dfd4dc1481767684525d075460d8 [0,1,0,0,0,0|1,0,2]=4 2015 B11R1.27 C/C=C\COc1ccc(s1)Br 5c099f47d46b45fb3e56fbac7e669ca1 [0,1,0,0,0,0|1,0,2]=4 2016 B11R1.27 C=CCCNc1ccc(s1)Br 59dfb5874812706fa2b6e3f6ee7db604 [0,1,0,0,0,0|1,0,2]=4 2017 B11R1.27 C=CCCNc1ccc(s1)C d0c4d97e1761d1d1cbced1a9809b38a0 [0,1,0,0,0,0|1,0,2]=4 2018 B11R1.27 C=CCCNc1ccc(s1)F 4beac8916baffc1babb7e0949a1127d9 [0,1,0,0,0,0|1,0,2]=4 2019 B11R1.27 C=CCCNc1ccc(s1)O ba8e4c5fe86c133349709a0ac0e7156c [0,1,0,0,0,0|1,0,2]=4 2020 B11R1.27 C=CCCOc1cc(cs1)C 67bf46bf0b19c065c3cea356d9144cf9 [0,1,0,0,0,0|1,0,2]=4 2021 B11R1.27 C=CCCOc1ccc(s1)Br cef1c63eb169a655751ab15ecb8e52bd [0,1,0,0,0,0|1,0,2]=4 2022 B11R1.27 C=CCNCc1cc(cs1)Br 45e5149d0a3cf8a053a4d7afc076c506 [0,1,0,0,0,0|1,0,2]=4 2023 B11R1.27 C=CCNCc1cc(cs1)C 594dc0dcc746d7dbed7d249960a1fa5b [0,1,0,0,0,0|1,0,2]=4 2024 B11R1.27 C=CCNCc1cc(cs1)Cl 79c2ce2417935278e33df98d36349b28 [0,1,0,0,0,0|1,0,2]=4 2025 B11R1.27 C=CCNCc1ccc(s1)Br f0ce5e05220e5193f1ff79d1c22d7afc [0,1,0,0,0,0|1,0,2]=4 2026 B11R1.27 C=CCNCc1ccc(s1)C 5731bacef6d8b3b286fbe60196b754de [0,1,0,0,0,0|1,0,2]=4 2027 B11R1.27 C=CCNCc1ccc(s1)Cl bf50409781a327de56aeec165c5e0fdc [0,1,0,0,0,0|1,0,2]=4 2028 B11R1.27 C=CCNCc1ccc(s1)F 59ca73c2291e564389d7b5cf9f7d8bc4 [0,1,0,0,0,0|1,0,2]=4 2029 B11R1.27 C=CCOCc1cc(cs1)Br 6efc0aef8e6e99d01f99fbbf11c33f9c [0,1,0,0,0,0|1,0,2]=4 2030 B11R1.27 C=CCOCc1cc(cs1)C 64ff1a9ba75841aca6e005d22e5d478a [0,1,0,0,0,0|1,0,2]=4 2031 B11R1.27 C=CCOCc1cc(cs1)Cl b8767263a25f15042e20d7fb5de9aa18 [0,1,0,0,0,0|1,0,2]=4 2032 B11R1.27 C=CCOCc1ccc(s1)Br b5216cbee0c574b3da2e245c9ba7c2a1 [0,1,0,0,0,0|1,0,2]=4 2033 B11R1.27 C=CCOCc1ccc(s1)C e1bacf411e70b30f3303bd7192d4fcc1 [0,1,0,0,0,0|1,0,2]=4 2034 B11R1.27 C=CCOCc1ccc(s1)Cl 008ac0ec26c6c4a86186abf7257df542 [0,1,0,0,0,0|1,0,2]=4 2035 B11R1.27 C=CCOCc1ccc(s1)F ff927c9fb89693895181695ad1e2cb72 [0,1,0,0,0,0|1,0,2]=4 2036 B11R1.27 CC=CCNc1ccc(s1)C e0701e78e066b59fc0a4679999c094cf [0,1,0,0,0,0|1,0,2]=4 2037 B11R1.27 CC=CCNc1ccc(s1)F 671d11cc2846386d55312d9fc36ff93d [0,1,0,0,0,0|1,0,2]=4 2038 B11R1.27 CC=CCNc1ccc(s1)O b62b7452564d906efb09dc3eb350ed4a [0,1,0,0,0,0|1,0,2]=4 2039 B11R1.27 CCCCNc1c[nH]c(n1)N 7b1326cda86cb3c4940c5e5122c53ff4 [0,1,0,0,0,0|3,0,0]=4 2040 B11R1.27 CCCCNc1cc(=O)[nH]o1 ce2d61c31e6eb4659aed8a9e34b3e044 [0,1,0,0,0,0|2,1,0]=4 2041 B11R1.27 CCCCNc1cc([nH]n1)Br b72b60b286ab49dffc279cb773c4e5a3 [0,1,0,0,0,0|3,0,0]=4 2042 B11R1.27 CCCCNc1cc([nH]n1)C aa70ef9113b507cbbc9a3fd46b159002 [0,1,0,0,0,0|3,0,0]=4 2043 B11R1.27 CCCCNc1cc([nH]n1)F 0d4eec37a46f8c57a33f3c7b7cdfe68c [0,1,0,0,0,0|3,0,0]=4 2044 B11R1.27 CCCCNc1cc(n[nH]1)Cl 0e0daf85fe002c554ee52cc2517fe27d [0,1,0,0,0,0|3,0,0]=4 2045 B11R1.27 CCCCNc1cc(no1)C 62f822a78adfb1cf4336a71af35108dc [0,1,0,0,0,0|2,1,0]=4 2046 B11R1.27 CCCCNc1cc(ns1)C b2391654236d7b1346c7424011715d65 [0,1,0,0,0,0|2,0,0]=3 2047 B11R1.27 CCCCNc1cc(on1)C bb2a1519a361d1f0c867f93d83c67ac8 [0,1,0,0,0,0|3,0,0]=4 2048 B11R1.27 CCCCNc1cc(sn1)Br c84e7e52f2764aa9a7c29e12ad3b2ec7 [0,1,0,0,0,0|3,0,0]=4 2049 B11R1.27 CCCCNc1ccc(o1)C 54a31b1b1db1c0b2c103168592fd1e58 [0,1,0,0,0,0|1,1,0]=3 2050 B11R1.27 CCCCNc1ccc(s1)Br 95cec4bfbe1aa504e7bf64f6d4666be9 [0,1,0,0,0,0|1,0,0]=2 2051 B11R1.27 CCCCNc1ccc(s1)C 9a43ce195f1ee434010c1ff36b1221dd [0,1,0,0,0,0|1,0,0]=2 2052 B11R1.27 CCCCNc1ccc(s1)F 5f453420ca21f6fd205c4f45e4439869 [0,1,0,0,0,0|1,0,0]=2 2053 B11R1.27 CCCCNc1ccn(n1)C b907b80bf21e6b827c93080f2df21f34 [0,1,0,0,0,0|3,0,0]=4 2054 B11R1.27 CCCCNc1cn(cn1)C 418d2f43dc8f89e14ee9023a451c0d1c [0,1,0,0,0,0|3,0,0]=4 2055 B11R1.27 CCCCNc1cnc(o1)C d92f7841ae28c142c5fb98f09d40c4a1 [0,1,0,0,0,0|2,1,0]=4 2056 B11R1.27 CCCCNc1cnc(s1)Br 0ddd834f5d8e9f79495d2558f1d94fed [0,1,0,0,0,0|2,0,0]=3 2057 B11R1.27 CCCCNc1cnc(s1)C 348318dfb0564c4132aa47b094aad9a3 [0,1,0,0,0,0|2,0,0]=3 2058 B11R1.27 CCCCNc1cnc(s1)N f7165d5cde4064e6aec65435c2938142 [0,1,0,0,0,0|2,0,0]=3 2059 B11R1.27 CCCCNc1cnc(s1)S 53b33641084020ada7faa0bc4bb89968 [0,1,0,0,0,0|2,0,0]=3 2060 B11R1.27 CCCCNc1coc(n1)N 09426f7c81841e4b890222aa89a483b8 [0,1,0,0,0,0|3,0,0]=4 2061 B11R1.27 CCCCNc1csc(n1)Br 44f388c45c4c364d6ab31f6587051e9b [0,1,0,0,0,0|3,0,0]=4 2062 B11R1.27 CCCCNc1csc(n1)N 5b7f6c2abae8e9568519e761bf26719a [0,1,0,0,0,0|3,0,0]=4 2063 B11R1.27 CCCCNc1nc(=S)ss1 0f49dfc66824f99dba9929aa06ba31c4 [0,1,0,0,0,0|3,0,0]=4 2064 B11R1.27 CCCCNc1nc(c[nH]1)Br 27ae17f52fcffb2c9a9c9da0eec7b80c [0,1,0,0,0,0|3,0,0]=4 2065 B11R1.27 CCCCNc1nc(co1)Br cfca28ac6e9e9262d6c23fd0e0d3a9c2 [0,1,0,0,0,0|2,1,0]=4 2066 B11R1.27 CCCCNc1nc(co1)C e20aedaf9810db8cd099cb2efd9f1c7f [0,1,0,0,0,0|2,1,0]=4 2067 B11R1.27 CCCCNc1nc(cs1)Br 817e0d4eb9bf021ce91ac66380380c8d [0,1,0,0,0,0|2,0,0]=3 2068 B11R1.27 CCCCNc1nc(cs1)C 087f0c3344ca8602a3013f1fb8b6b35d [0,1,0,0,0,0|2,0,0]=3 2069 B11R1.27 CCCCNc1nc(cs1)Cl 174d01359bbdd47447f7dbfffe6a3fdb [0,1,0,0,0,0|2,0,0]=3 2070 B11R1.27 CCCCNc1nc(ns1)Br 1a4630a7092cebddff5a0bbaaefdde0e [0,1,0,0,0,0|3,0,0]=4 2071 B11R1.27 CCCCNc1nc(ns1)C 70623605e048d4832dc8486e5e04a2f9 [0,1,0,0,0,0|3,0,0]=4 2072 B11R1.27 CCCCNc1nc(ns1)Cl 7cef1f9f93446bddbd634aa793cff87f [0,1,0,0,0,0|3,0,0]=4 2073 B11R1.27 CCCCNc1ncc([nH]1)C 208da2a38c63b3958dba9e7e7a56845c [0,1,0,0,0,0|3,0,0]=4 2074 B11R1.27 CCCCNc1ncc(o1)C 738dc8ef97abdc62d7575db3055ea12b [0,1,0,0,0,0|2,1,0]=4 2075 B11R1.27 CCCCNc1ncc(s1)Br 4f8917a5a66903f2341c6d2ca4baeb40 [0,1,0,0,0,0|2,0,0]=3 2076 B11R1.27 CCCCNc1ncc(s1)C 46fd67c81c15e58397cc580442f78e8c [0,1,0,0,0,0|2,0,0]=3 2077 B11R1.27 CCCCNc1ncc(s1)Cl 0978211b1ab4e0013972f2923e7a9a70 [0,1,0,0,0,0|2,0,0]=3 2078 B11R1.27 CCCCNc1ncc(s1)F a5edcee8a001e01f471a52013d714d2b [0,1,0,0,0,0|2,0,0]=3 2079 B11R1.27 CCCCNc1nnc(s1)Br 33c6f53a97c28b955404fa79545e75bc [0,1,0,0,0,0|3,0,0]=4 2080 B11R1.27 CCCCNc1nnc(s1)C 2400942abe9e8084488d25a943ccb8cb [0,1,0,0,0,0|3,0,0]=4 2081 B11R1.27 CCCCNc1nnc(s1)Cl ffd25c206e97049c9b3368302f283da1 [0,1,0,0,0,0|3,0,0]=4 2082 B11R1.27 CCCCNc1nnc(s1)S 7c273b66027ab2281442dfb30a4a6fab [0,1,0,0,0,0|3,0,0]=4 2083 B11R1.27 CCCCOC1=CC(=O)CC1 1d9caa8fcfe9112b183be080df047c84 [0,1,0,0,0,0|2,0,1]=4 2084 B11R1.27 CCCCOC1=CC(=O)NC1 507b6e2879c3c637d7407c6f8dfb267a [0,1,0,0,0,0|3,0,0]=4 2085 B11R1.27 CCCCOC1=CC(=O)OC1 edc75f11eb15f787d507aace40f5818e [0,1,0,0,0,0|3,0,0]=4 2086 B11R1.27 CCCCOC1=COC(=O)C1 02660e1f2769e98a0d8f56d95e1b495b [0,1,0,0,0,0|3,0,0]=4 2087 B11R1.27 CCCCOC1C=CC(=O)C1 0d98e3380264e96c82b51496b84e5007 [0,1,0,0,0,0|2,0,1]=4 2088 B11R1.27 CCCCOC1C=CC(=O)O1 8de5a6aabb96fa2068f232a13afea463 [0,1,0,0,0,0|1,1,1]=4 2089 B11R1.27 CCCCO[C@H]1C=CC(=O)C1 207af7052b82c543be52becc1f233bfc [0,1,0,0,0,0|2,0,1]=4 2090 B11R1.27 CCCCOc1cc(cs1)C 329233269477c7378803f4cb63e8a0af [0,1,0,0,0,0|1,0,0]=2 2091 B11R1.27 CCCCOc1cc(sn1)Cl 75b7f19610cd5cb2754a41688d1160cf [0,1,0,0,0,0|3,0,0]=4 2092 B11R1.27 CCCCOc1ccc(s1)Br c5d0589b1649f6f62786ee5968bf4d93 [0,1,0,0,0,0|1,0,0]=2 2093 B11R1.27 CCCCOc1ccn(n1)C f5e0c4458ff0e8fa12749069508272d8 [0,1,0,0,0,0|3,0,0]=4 2094 B11R1.27 CCCCOc1nc(cs1)Br 68569594c1d1a2279e6c50b5c5d7ec3f [0,1,0,0,0,0|2,0,0]=3 2095 B11R1.27 CCCCOc1nnc(s1)C cfe057aabceb89e749e75f3a67ab99b1 [0,1,0,0,0,0|3,0,0]=4 2096 B11R1.27 CCCCOn1cc(cn1)I 28338e5ed59d0a4453858f7982a4dab3 [0,1,0,0,0,0|3,0,0]=4 2097 B11R1.27 CCCNCC1=CC(=O)OC1 0790cb843c41eaff3f2fef0877c6c76c [0,1,0,0,0,0|3,0,0]=4 2098 B11R1.27 CCCNCc1c[nH]c(n1)C 5b7ffb0f9e26284cdea78ed64462ddea [0,1,0,0,0,0|3,0,0]=4 2099 B11R1.27 CCCNCc1cc(=O)[nH]o1 64923037bc01174b23cb5e8673320836 [0,1,0,0,0,0|2,1,0]=4 2100 B11R1.27 CCCNCc1cc(c[nH]1)Br 0287a2fca255e9b081dc66bc5627d5ed [0,1,0,0,0,0|2,0,0]=3 2101 B11R1.27 CCCNCc1cc(co1)C cfa2d3379118e389ad04c13e63b9ec9a [0,1,0,0,0,0|1,1,0]=3 2102 B11R1.27 CCCNCc1cc(cs1)Br 6cda27765e5bec289ad7d2d2b8e4562c [0,1,0,0,0,0|1,0,0]=2 2103 B11R1.27 CCCNCc1cc(cs1)C c18718752381def38e7cc5cdaa829dff [0,1,0,0,0,0|1,0,0]=2 2104 B11R1.27 CCCNCc1cc(cs1)Cl d08f3dc6227e80b8a113c67ebc7acc9b [0,1,0,0,0,0|1,0,0]=2 2105 B11R1.27 CCCNCc1cc(n[nH]1)C d86b99ab983d5fef39647a6e9e2c8e16 [0,1,0,0,0,0|3,0,0]=4 2106 B11R1.27 CCCNCc1cc(no1)Br 8a75af9d3a6555d02befc59d5b9901a2 [0,1,0,0,0,0|2,1,0]=4 2107 B11R1.27 CCCNCc1cc(no1)C 9417d2e72bd46e92cf54bb83eee74048 [0,1,0,0,0,0|2,1,0]=4 2108 B11R1.27 CCCNCc1cc(ns1)Br 676ec9ec7317dc5324aea49f5e71a426 [0,1,0,0,0,0|2,0,0]=3 2109 B11R1.27 CCCNCc1cc(ns1)C f8d0ddc156f32117adf98aab7f316093 [0,1,0,0,0,0|2,0,0]=3 2110 B11R1.27 CCCNCc1cc(on1)C 04c3f8aa1e38a8364d8495e2ad6712b6 [0,1,0,0,0,0|3,0,0]=4 2111 B11R1.27 CCCNCc1cc(sn1)Br ee2e186587473698d3edfa13e56e529b [0,1,0,0,0,0|3,0,0]=4 2112 B11R1.27 CCCNCc1ccc(o1)Br 304e44400ec5f59c8a510759c73f6f7f [0,1,0,0,0,0|1,1,0]=3 2113 B11R1.27 CCCNCc1ccc(o1)C 62eaddc55a3431ff1bc6049cfb34132d [0,1,0,0,0,0|1,1,0]=3 2114 B11R1.27 CCCNCc1ccc(s1)Br 85a241804764d85738308f23c111a279 [0,1,0,0,0,0|1,0,0]=2 2115 B11R1.27 CCCNCc1ccc(s1)C 6e3cccd615675e59890e2f487e8c8a2f [0,1,0,0,0,0|1,0,0]=2 2116 B11R1.27 CCCNCc1ccc(s1)Cl b6cba9a8e04102638d34fa5333462d53 [0,1,0,0,0,0|1,0,0]=2 2117 B11R1.27 CCCNCc1ccc(s1)F d7ff4eb282f1f2a1e071221bd2297262 [0,1,0,0,0,0|1,0,0]=2 2118 B11R1.27 CCCNCc1ccn(n1)C 4afc42eaed777708f955fb4c8333aabd [0,1,0,0,0,0|3,0,0]=4 2119 B11R1.27 CCCNCc1cn(cn1)C 4dc1ee01e2ddb7708c79196118577e7a [0,1,0,0,0,0|3,0,0]=4 2120 B11R1.27 CCCNCc1cnc(o1)C cd76dbdb4164cc7779fe7cf4117a10ae [0,1,0,0,0,0|2,1,0]=4 2121 B11R1.27 CCCNCc1cnc(s1)Br 5a5e57c253021d47a96438d4b577e443 [0,1,0,0,0,0|2,0,0]=3 2122 B11R1.27 CCCNCc1cnc(s1)C 6ed1b2f3de607cb539e3e31e644dc2a7 [0,1,0,0,0,0|2,0,0]=3 2123 B11R1.27 CCCNCc1cnc(s1)Cl b5c3b56b94344983770743724c5215fd [0,1,0,0,0,0|2,0,0]=3 2124 B11R1.27 CCCNCc1coc(=O)o1 52db3cf2e0c67c4c0f43962f9152c79c [0,1,0,0,0,0|2,1,0]=4 2125 B11R1.27 CCCNCc1coc(n1)C 85c28b540d928c4f3550dd4519a22094 [0,1,0,0,0,0|3,0,0]=4 2126 B11R1.27 CCCNCc1csc(c1)Br dc2000e219887a9eb565b916137fa9ac [0,1,0,0,0,0|3,0,0]=4 2127 B11R1.27 CCCNCc1csc(c1)C 9a64ea93073e56a042d4e4dddb9fd87b [0,1,0,0,0,0|3,0,0]=4 2128 B11R1.27 CCCNCc1csc(c1)Cl 36cd6a2742819879cd2a4414f7eeda29 [0,1,0,0,0,0|3,0,0]=4 2129 B11R1.27 CCCNCc1csc(n1)Br 86c4f749f488eb0d49a336614f421493 [0,1,0,0,0,0|3,0,0]=4 2130 B11R1.27 CCCNCc1csc(n1)C 63bffb9b376ee85f8df76a63be0c25d0 [0,1,0,0,0,0|3,0,0]=4 2131 B11R1.27 CCCNCc1nc(co1)C e807049bb1775eedb0bc4f5f3c9a0686 [0,1,0,0,0,0|2,1,0]=4 2132 B11R1.27 CCCNCc1nc(cs1)Br b1101a3fafc54250af414e838a24c325 [0,1,0,0,0,0|2,0,0]=3 2133 B11R1.27 CCCNCc1nc(cs1)C e951c3aa087ea526641797b53cd90212 [0,1,0,0,0,0|2,0,0]=3 2134 B11R1.27 CCCNCc1nc(cs1)Cl 7a96fb2032d5ac85bc2bef2e6e876dd7 [0,1,0,0,0,0|2,0,0]=3 2135 B11R1.27 CCCNCc1ncc(o1)Br 2b08561914acd53b20564234eab1d84a [0,1,0,0,0,0|2,1,0]=4 2136 B11R1.27 CCCNCc1ncc(o1)C 2fa0f5d239b8f7e43d75fa76dafdab7f [0,1,0,0,0,0|2,1,0]=4 2137 B11R1.27 CCCNCc1ncc(s1)Br 07fd01bc5ff7696f5a436e43b63f8e7a [0,1,0,0,0,0|2,0,0]=3 2138 B11R1.27 CCCNCc1ncc(s1)C 7c1b40c55e4d073e1a0da2c71caa84c8 [0,1,0,0,0,0|2,0,0]=3 2139 B11R1.27 CCCNCc1ncc(s1)Cl da587229c9a1f6ca0e7399e755108c0e [0,1,0,0,0,0|2,0,0]=3 2140 B11R1.27 CCCNCc1nnc(s1)Br 6d9aeac856064ee3fb0d3391737aa142 [0,1,0,0,0,0|3,0,0]=4 2141 B11R1.27 CCCNCc1nnc(s1)C a482ca697a32ad0d33a3a00c2442171c [0,1,0,0,0,0|3,0,0]=4 2142 B11R1.27 CCCNCn1cc(cn1)Cl 42f5b4526dceb53e85a1c139967b62e2 [0,1,0,0,0,0|3,0,0]=4 2143 B11R1.27 CCCOCC1=CC(=O)OC1 e32dbce0ab6ef27913cd41d81cf95661 [0,1,0,0,0,0|3,0,0]=4 2144 B11R1.27 CCCOCC1C=CC(=O)O1 9dadb827d673d8628bb482617f675d16 [0,1,0,0,0,0|1,1,1]=4 2145 B11R1.27 CCCOC[C@@H]1C=CC(=O)O1 7531c118a29ea18e38da49b72ee790bd [0,1,0,0,0,0|1,1,1]=4 2146 B11R1.27 CCCOCc1c[nH]c(n1)C 9da441ee75a4335824d1ccbd3c3d8fe6 [0,1,0,0,0,0|3,0,0]=4 2147 B11R1.27 CCCOCc1cc(co1)Br bd4978901df827d0d2c777a4f7fe2493 [0,1,0,0,0,0|1,1,0]=3 2148 B11R1.27 CCCOCc1cc(cs1)Br 16e0afc01c2f1cc058f30fd526e05f4e [0,1,0,0,0,0|1,0,0]=2 2149 B11R1.27 CCCOCc1cc(cs1)C 134757468ac818f8e059e65a17835fae [0,1,0,0,0,0|1,0,0]=2 2150 B11R1.27 CCCOCc1cc(cs1)Cl ccc5249690a3228a497f8ca3dd952f91 [0,1,0,0,0,0|1,0,0]=2 2151 B11R1.27 CCCOCc1cc(n[nH]1)C 85a24d7b1d83f772c563623a2dac0290 [0,1,0,0,0,0|3,0,0]=4 2152 B11R1.27 CCCOCc1cc(no1)Br 2c44b78accb03851782a147bb8410657 [0,1,0,0,0,0|2,1,0]=4 2153 B11R1.27 CCCOCc1cc(no1)C 2bae26f4bac99627ea9e17376cc02231 [0,1,0,0,0,0|2,1,0]=4 2154 B11R1.27 CCCOCc1cc(on1)C 68daf4c3d3a39ed123c6a7add525e734 [0,1,0,0,0,0|3,0,0]=4 2155 B11R1.27 CCCOCc1cc(sn1)Br 858658b9ea2e876c7f580db960acf7b5 [0,1,0,0,0,0|3,0,0]=4 2156 B11R1.27 CCCOCc1cc(sn1)C 17e27507a1ca3aef7130895b1a4161cb [0,1,0,0,0,0|3,0,0]=4 2157 B11R1.27 CCCOCc1ccc(o1)Br ee996c349c568cda2668245671e4e970 [0,1,0,0,0,0|1,1,0]=3 2158 B11R1.27 CCCOCc1ccc(o1)C 44413ee853d5fc7b158361bd02b5f576 [0,1,0,0,0,0|1,1,0]=3 2159 B11R1.27 CCCOCc1ccc(s1)Br 3b0f69564055c930b5aac018b97dcdf1 [0,1,0,0,0,0|1,0,0]=2 2160 B11R1.27 CCCOCc1ccc(s1)C a53515dcde56e3e08c5ba6ce14d09eca [0,1,0,0,0,0|1,0,0]=2 2161 B11R1.27 CCCOCc1ccc(s1)Cl 11f1cc106cc463e4813be7acec53534b [0,1,0,0,0,0|1,0,0]=2 2162 B11R1.27 CCCOCc1ccc(s1)F 6fea5d7627641ed6cfce775416ba17e4 [0,1,0,0,0,0|1,0,0]=2 2163 B11R1.27 CCCOCc1ccn(c1)C 04487c356d6b86329f0e108dac432029 [0,1,0,0,0,0|3,0,0]=4 2164 B11R1.27 CCCOCc1ccn(n1)C 8762ffd80c8160048d0d245af105b24f [0,1,0,0,0,0|3,0,0]=4 2165 B11R1.27 CCCOCc1cn(cn1)C 37ff5f35f41eb4276e294a9c7b990f04 [0,1,0,0,0,0|3,0,0]=4 2166 B11R1.27 CCCOCc1cnc(o1)C d7d258ece5eba8ed2eb446539a59fb1f [0,1,0,0,0,0|2,1,0]=4 2167 B11R1.27 CCCOCc1cnc(s1)Br 4a8e1206585279e155a42a1d9e467bf2 [0,1,0,0,0,0|2,0,0]=3 2168 B11R1.27 CCCOCc1cnc(s1)C 1082a1ecda83c5be0a4702a8212fe992 [0,1,0,0,0,0|2,0,0]=3 2169 B11R1.27 CCCOCc1cnc(s1)Cl c8f80daec05396e8a3e2937348ed394c [0,1,0,0,0,0|2,0,0]=3 2170 B11R1.27 CCCOCc1coc(=O)o1 7983f0fa337a693cb9723af86e02b805 [0,1,0,0,0,0|2,1,0]=4 2171 B11R1.27 CCCOCc1coc(c1)Br 3d4050a756fcb8346ff7f38eca57b798 [0,1,0,0,0,0|3,0,0]=4 2172 B11R1.27 CCCOCc1coc(n1)Br 03f329f696860757b801026f469e217e [0,1,0,0,0,0|3,0,0]=4 2173 B11R1.27 CCCOCc1coc(n1)C 5481de95b91a0ce48ac510e155b0b93d [0,1,0,0,0,0|3,0,0]=4 2174 B11R1.27 CCCOCc1coc(n1)Cl 5108cf324978ef81cbc841bc5e122f76 [0,1,0,0,0,0|3,0,0]=4 2175 B11R1.27 CCCOCc1csc(c1)Br f5598edec0612d47c9ed7f26f47ea87a [0,1,0,0,0,0|3,0,0]=4 2176 B11R1.27 CCCOCc1csc(c1)C 6ed9e15134f28daa9511353c1276449d [0,1,0,0,0,0|3,0,0]=4 2177 B11R1.27 CCCOCc1csc(c1)Cl c3fd261c42f6d50e4c1cea8f4f35dfe3 [0,1,0,0,0,0|3,0,0]=4 2178 B11R1.27 CCCOCc1csc(n1)Br be788f6e8bfe6c2f703f0833073cf3df [0,1,0,0,0,0|3,0,0]=4 2179 B11R1.27 CCCOCc1csc(n1)C c617f24a54e3a89d9e178135919c8334 [0,1,0,0,0,0|3,0,0]=4 2180 B11R1.27 CCCOCc1csc(n1)Cl aa3dc849b4acadb8873f822c4904f62a [0,1,0,0,0,0|3,0,0]=4 2181 B11R1.27 CCCOCc1nc(c[nH]1)C a95ffcaace27d82990835d7e7fe4680c [0,1,0,0,0,0|3,0,0]=4 2182 B11R1.27 CCCOCc1nc(co1)Br 93190c733b63a30690c3e8413a1040e3 [0,1,0,0,0,0|2,1,0]=4 2183 B11R1.27 CCCOCc1nc(cs1)Br e7d700b536d67b9fc053f969a4c2df43 [0,1,0,0,0,0|2,0,0]=3 2184 B11R1.27 CCCOCc1nc(cs1)C 5773f2d3c893b73e6b270577cebb835d [0,1,0,0,0,0|2,0,0]=3 2185 B11R1.27 CCCOCc1nc(ns1)C d59fbbedfda6fe91136c325d31442265 [0,1,0,0,0,0|3,0,0]=4 2186 B11R1.27 CCCOCc1ncc(o1)Br 9aac6ef0873b0884087f4e4f9afd83aa [0,1,0,0,0,0|2,1,0]=4 2187 B11R1.27 CCCOCc1ncc(o1)C d377400034e4f0b61e9eea1ac3d7a3d9 [0,1,0,0,0,0|2,1,0]=4 2188 B11R1.27 CCCOCc1ncc(s1)Br 067ce8396fd38bff3ca1a4ca5c3983be [0,1,0,0,0,0|2,0,0]=3 2189 B11R1.27 CCCOCc1ncc(s1)C 7faed5ba87616087c263ab8c278a4262 [0,1,0,0,0,0|2,0,0]=3 2190 B11R1.27 CCCOCc1ncc(s1)Cl 18db5daf71f7a5c21d2e012d98b020db [0,1,0,0,0,0|2,0,0]=3 2191 B11R1.27 CCCOCc1nnc(s1)Br 15a02b17876d69b6d94aa2fa3703a96e [0,1,0,0,0,0|3,0,0]=4 2192 B11R1.27 CCCOCc1nnc(s1)C ca67290200c69cbbeede5d5f60477389 [0,1,0,0,0,0|3,0,0]=4 2193 B11R1.27 CCCOCc1nnc(s1)Cl 8c0604231f51547c56ebf683c2f58239 [0,1,0,0,0,0|3,0,0]=4 2194 B11R1.27 CCCOCn1cc(cn1)Br 086bbe8e8fd8a69402ac3897f37522c4 [0,1,0,0,0,0|3,0,0]=4 2195 B11R1.27 CCCOCn1cc(cn1)Cl e7c4f3c32a071b24aec798ff7f724278 [0,1,0,0,0,0|3,0,0]=4 2196 B11R1.27 CCCOCn1ccc(n1)Br ecafd3101e65aca6e7126293dee492a1 [0,1,0,0,0,0|3,0,0]=4 2197 B11R1.27 CCCOCn1ccc(n1)I 784d917820fefb68860202f94b0a9699 [0,1,0,0,0,0|3,0,0]=4 2198 B11R1.27 CCNCCc1cc([nH]n1)C 8d3c1aae53b77552999fc62aac828a85 [0,1,0,0,0,0|3,0,0]=4 2199 B11R1.27 CCNCCc1ccc(o1)C 970942009447c5bc88a3bda9d5d6e2a8 [0,1,0,0,0,0|1,1,0]=3 2200 B11R1.27 CCNCCc1ccc(s1)Br 9d5dce4e1dc369af8507ab38fb5850c2 [0,1,0,0,0,0|1,0,0]=2 2201 B11R1.27 CCNCCc1ccc(s1)C 946a531859238212224da114755c5f6d [0,1,0,0,0,0|1,0,0]=2 2202 B11R1.27 CCNCCc1ccn(n1)C fe937397e351d43abf27c9bc7b85f0d2 [0,1,0,0,0,0|3,0,0]=4 2203 B11R1.27 CCNCCc1cn(cn1)C 4d1a7eb5558775f23f913631273ff7f0 [0,1,0,0,0,0|3,0,0]=4 2204 B11R1.27 CCNCCc1csc(n1)C 5156e21f8d58d9ee47a166d40c504bce [0,1,0,0,0,0|3,0,0]=4 2205 B11R1.27 CCNCCc1nc(c[nH]1)C 1b2a292e0986296ed791b87f19b953e4 [0,1,0,0,0,0|3,0,0]=4 2206 B11R1.27 CCNCCc1nc(cs1)C f0f6609ad9633e3e1f7dfd4cca0770b3 [0,1,0,0,0,0|2,0,0]=3 2207 B11R1.27 CCNCCc1ncc(o1)C 49fdaa052a93004dcd03c0fe0cbdb49f [0,1,0,0,0,0|2,1,0]=4 2208 B11R1.27 CCNCCn1cc(cn1)Br daef956c8d6c6b0e6c9a4c11381f10e5 [0,1,0,0,0,0|3,0,0]=4 2209 B11R1.27 CCNCCn1cc(cn1)C 0d0b21f179c4cc6121c18bd0789d19e4 [0,1,0,0,0,0|3,0,0]=4 2210 B11R1.27 CCNCCn1cc(cn1)Cl e5ca00a5dd5327e350b0165cbe03fb35 [0,1,0,0,0,0|3,0,0]=4 2211 B11R1.27 CCNCCn1cc(cn1)F 24b44f073c5346d0d07c3e2bc74bed19 [0,1,0,0,0,0|3,0,0]=4 2212 B11R1.27 CCNCCn1cc(cn1)I b52f9a7784b6bae3df73173fdd03d965 [0,1,0,0,0,0|3,0,0]=4 2213 B11R1.27 CCNCCn1ccc(n1)C 6df5fb83723e9eabc8e9934f125da654 [0,1,0,0,0,0|3,0,0]=4 2214 B11R1.27 CCOCCc1cc(no1)Br 75cdd4a6c375e0a8c10b35dae04f0aac [0,1,0,0,0,0|2,1,0]=4 2215 B11R1.27 CCOCCc1cc(no1)C 0046956dda0ceeeb0d05796707516c4c [0,1,0,0,0,0|2,1,0]=4 2216 B11R1.27 CCOCCc1ccc(o1)C 4ddf07a2cc1d2413b762eea0519bec00 [0,1,0,0,0,0|1,1,0]=3 2217 B11R1.27 CCOCCc1ccn(n1)C 413db2bfb8d939e8d441c3c86f8b3efd [0,1,0,0,0,0|3,0,0]=4 2218 B11R1.27 CCOCCc1cnc(s1)C 5e4f67d4913f6d0977d85a388e3d0ce0 [0,1,0,0,0,0|2,0,0]=3 2219 B11R1.27 CCOCCc1csc(c1)Cl 5cd34378a05b2078f31a91e731343749 [0,1,0,0,0,0|3,0,0]=4 2220 B11R1.27 CCOCCc1csc(n1)Br 0a7c1985fcced7eaeadcef43ff5a7a7b [0,1,0,0,0,0|3,0,0]=4 2221 B11R1.27 CCOCCc1csc(n1)C e151994f5f66dcad8625f6167831a70b [0,1,0,0,0,0|3,0,0]=4 2222 B11R1.27 CCOCCc1nc(cs1)Br 0106bddc29b8781486e086b996d01653 [0,1,0,0,0,0|2,0,0]=3 2223 B11R1.27 CCOCCc1nc(cs1)C 00c5730f238505ef74629604aa577801 [0,1,0,0,0,0|2,0,0]=3 2224 B11R1.27 CCOCCn1cc(cn1)Br 7e5a47539bbb702d5f214562ad41e223 [0,1,0,0,0,0|3,0,0]=4 2225 B11R1.27 CCOCCn1cc(cn1)C 09827685f8741cb5bd5b2d42b4bdfc61 [0,1,0,0,0,0|3,0,0]=4 2226 B11R1.27 CCOCCn1cc(cn1)Cl 6a7154b42c658fd7b275fb5184235301 [0,1,0,0,0,0|3,0,0]=4 2227 B11R1.27 CCOCCn1cc(cn1)F 76c367547c0bee06529d9b66bc7a9691 [0,1,0,0,0,0|3,0,0]=4 2228 B11R1.27 CCOCCn1cc(cn1)I d4d2f8c6eb095e0a60c41c9dad013e60 [0,1,0,0,0,0|3,0,0]=4 2229 B11R1.27 CCOCCn1ccc(=O)[nH]1 5ef451386fd9c102e5f73dae66e60f51 [0,1,0,0,0,0|3,0,0]=4 2230 B11R1.27 CCOCCn1ccc(n1)Br 7e22d0c4efdb24d5b3f4c31e380b0e6f [0,1,0,0,0,0|3,0,0]=4 2231 B11R1.27 CCOCCn1ccc(n1)C 570daca27b3ff53098f5cb08b45b5184 [0,1,0,0,0,0|3,0,0]=4 2232 B11R1.27 CCOCNc1cc(ns1)C 7cc6d3685843cb193519524519f59a93 [0,1,0,0,0,0|3,0,0]=4 2233 B11R1.27 CCOCNc1ccc(s1)Br 61f69c84bb28d1d2c3efaebec7086be6 [0,1,0,0,0,0|2,0,0]=3 2234 B11R1.27 CCOCNc1ccc(s1)C 9e72c126bf58d7364646076add7a4c42 [0,1,0,0,0,0|2,0,0]=3 2235 B11R1.27 CCOCNc1cnc(s1)Br 3a9a12ca9447cf0fd4d4913ddbbe36ae [0,1,0,0,0,0|3,0,0]=4 2236 B11R1.27 CCOCNc1cnc(s1)C 0c3f336285aa2185256987dad8b68c3b [0,1,0,0,0,0|3,0,0]=4 2237 B11R1.27 CCOCNc1cnc(s1)S f1c3ea127f37244ce4799961c7c025bf [0,1,0,0,0,0|3,0,0]=4 2238 B11R1.27 CCOCNc1ncc(s1)Cl a3aa8c7a66ffdee171fe4dff73cc72a2 [0,1,0,0,0,0|3,0,0]=4 2239 B11R1.27 CCOCOc1cc(cs1)C 6b22f6226c22caa8448d5d91d2d07a38 [0,1,0,0,0,0|2,0,0]=3 2240 B11R1.27 CCOCOc1ccc(s1)Br 4c96db356324c7603a9a268b6e83f358 [0,1,0,0,0,0|2,0,0]=3 2241 B11R1.27 CCOCOc1nc(cs1)Br 182ad46bd4c98a20ee26a1d283543cda [0,1,0,0,0,0|3,0,0]=4 2242 B11R1.27 COCCNc1cc(co1)C cc5401d7664ade2ea51c12cdcbb10b8c [0,1,0,0,0,0|2,1,0]=4 2243 B11R1.27 COCCNc1cc(cs1)C b74276d7c9ab138e66e39e32ba2ad25a [0,1,0,0,0,0|2,0,0]=3 2244 B11R1.27 COCCNc1cc(cs1)F 523442b669127e1b2ed4f82bbf329e37 [0,1,0,0,0,0|2,0,0]=3 2245 B11R1.27 COCCNc1cc(ns1)C 80100650798cc60dddeed9a542213359 [0,1,0,0,0,0|3,0,0]=4 2246 B11R1.27 COCCNc1cc(ns1)O 0706beaf734fd75ce02ce51ef4cdb95b [0,1,0,0,0,0|3,0,0]=4 2247 B11R1.27 COCCNc1ccc(o1)C d038da6d4e65b458ff86a5c1f1a26d41 [0,1,0,0,0,0|2,1,0]=4 2248 B11R1.27 COCCNc1ccc(s1)Br 89e1ac05a2de8d1cc30588e7f78af74c [0,1,0,0,0,0|2,0,0]=3 2249 B11R1.27 COCCNc1ccc(s1)C 7e765f879b467193625388ed689c847c [0,1,0,0,0,0|2,0,0]=3 2250 B11R1.27 COCCNc1ccc(s1)F 3600650de9705c7301419b5d19598249 [0,1,0,0,0,0|2,0,0]=3 2251 B11R1.27 COCCNc1ccc(s1)O 60d1ddd8f628291be6feec9d836ef32c [0,1,0,0,0,0|2,0,0]=3 2252 B11R1.27 COCCNc1cnc(s1)Br 0bbf1248c698d19258a7ef5e030d4121 [0,1,0,0,0,0|3,0,0]=4 2253 B11R1.27 COCCNc1cnc(s1)C eb8b9d794a46cf8d65fdf12683c1e328 [0,1,0,0,0,0|3,0,0]=4 2254 B11R1.27 COCCNc1cnc(s1)N 61aaf230c585e7edd459432720823cea [0,1,0,0,0,0|3,0,0]=4 2255 B11R1.27 COCCNc1cnc(s1)S 83def0282d82dc7e0c37138d4e2f5ac3 [0,1,0,0,0,0|3,0,0]=4 2256 B11R1.27 COCCNc1nc(cs1)Br c6b44479e2c831bf98c8b0ee28b1ebbf [0,1,0,0,0,0|3,0,0]=4 2257 B11R1.27 COCCNc1nc(cs1)C fe70e9ffee4e84e0d831e5c6a5caa1b4 [0,1,0,0,0,0|3,0,0]=4 2258 B11R1.27 COCCNc1nc(cs1)Cl aff6d911987ce2db5ebf865dcf0fd69e [0,1,0,0,0,0|3,0,0]=4 2259 B11R1.27 COCCNc1ncc(s1)Br 18461c89550904b2ef083a0e15188dd6 [0,1,0,0,0,0|3,0,0]=4 2260 B11R1.27 COCCNc1ncc(s1)C 51353dfd0d5156b4a47314bf6a35c710 [0,1,0,0,0,0|3,0,0]=4 2261 B11R1.27 COCCNc1ncc(s1)Cl 972592c8601b8cee27eaab44f2f15c0d [0,1,0,0,0,0|3,0,0]=4 2262 B11R1.27 COCCNc1ncc(s1)F 3e38e27dbc5df61f06525f4d614c0bf3 [0,1,0,0,0,0|3,0,0]=4 2263 B11R1.27 COCCNc1ncc(s1)S 760b190f1803ca73807b9d2876705b4b [0,1,0,0,0,0|3,0,0]=4 2264 B11R1.27 COCCOc1cc(cs1)C d4b07b7f5b0502819921e1c77be292d8 [0,1,0,0,0,0|2,0,0]=3 2265 B11R1.27 COCCOc1ccc(s1)Br 7b68dc53ab5247eeed437fc4c71a203d [0,1,0,0,0,0|2,0,0]=3 2266 B11R1.27 COCCOc1nc(cs1)Br dc047ab9232d90312b8d16b509fdc0fd [0,1,0,0,0,0|3,0,0]=4 2267 B11R1.27 COCNCc1cc(c[nH]1)Br f63f8d3e8bf1bb251cf41bf98d6b27f5 [0,1,0,0,0,0|3,0,0]=4 2268 B11R1.27 COCNCc1cc(co1)C 267bb00129b0d6c4a750d50350fd5d03 [0,1,0,0,0,0|2,1,0]=4 2269 B11R1.27 COCNCc1cc(cs1)Br 9fd178fa71f41ba407ff7ed7912ce595 [0,1,0,0,0,0|2,0,0]=3 2270 B11R1.27 COCNCc1cc(cs1)C d118b8e6bb0853bec9ce6958696e921e [0,1,0,0,0,0|2,0,0]=3 2271 B11R1.27 COCNCc1cc(cs1)Cl 2180220042bc98591583ee52ca063113 [0,1,0,0,0,0|2,0,0]=3 2272 B11R1.27 COCNCc1cc(ns1)Br 6b69cacd1e63d1853257e3eb73d91f9e [0,1,0,0,0,0|3,0,0]=4 2273 B11R1.27 COCNCc1cc(ns1)C b391a3efb6be4239140b5ba8929b8d6c [0,1,0,0,0,0|3,0,0]=4 2274 B11R1.27 COCNCc1ccc(o1)Br 36812afe67c2b14560e9dc78cc7ce657 [0,1,0,0,0,0|2,1,0]=4 2275 B11R1.27 COCNCc1ccc(o1)C cc75196018e33415b903af2c525ea0b9 [0,1,0,0,0,0|2,1,0]=4 2276 B11R1.27 COCNCc1ccc(s1)Br 06c487098a10e282756119cd91b4864d [0,1,0,0,0,0|2,0,0]=3 2277 B11R1.27 COCNCc1ccc(s1)C 7621563cbebca5c21bf2e0254f859cf2 [0,1,0,0,0,0|2,0,0]=3 2278 B11R1.27 COCNCc1ccc(s1)Cl 17f92f79adebd5ea95809bb28f4926bd [0,1,0,0,0,0|2,0,0]=3 2279 B11R1.27 COCNCc1ccc(s1)F c5c423197c3d46ed761772ab4f89f9ab [0,1,0,0,0,0|2,0,0]=3 2280 B11R1.27 COCNCc1cnc(s1)Br ae2707afbcea2f968e18602c8beed1c0 [0,1,0,0,0,0|3,0,0]=4 2281 B11R1.27 COCNCc1cnc(s1)C 53dc74823647045ec1fb0df044c0dddf [0,1,0,0,0,0|3,0,0]=4 2282 B11R1.27 COCNCc1cnc(s1)Cl 555f3a9f2d778b4c2f3cbd835c774b8c [0,1,0,0,0,0|3,0,0]=4 2283 B11R1.27 COCNCc1nc(cs1)Br 299c45d6499e32230f6b8ed0da416454 [0,1,0,0,0,0|3,0,0]=4 2284 B11R1.27 COCNCc1nc(cs1)C 64bfd0f607eeb0a5e63fb9c647d1e57f [0,1,0,0,0,0|3,0,0]=4 2285 B11R1.27 COCNCc1nc(cs1)Cl ea27f1943b42fd303106000e61de2dc5 [0,1,0,0,0,0|3,0,0]=4 2286 B11R1.27 COCNCc1ncc(s1)C 0148e29d185e9a577a893010e5f63678 [0,1,0,0,0,0|3,0,0]=4 2287 B11R1.27 COCNCc1ncc(s1)Cl e4649eac37e261ba95a09b7d86554cf7 [0,1,0,0,0,0|3,0,0]=4 2288 B11R1.27 COCOCc1cc(co1)Br e12103fc93a2cf85e4f17ecbdc9947d0 [0,1,0,0,0,0|2,1,0]=4 2289 B11R1.27 COCOCc1cc(cs1)Br 975ef50980f1d0fc7f00e5aff5852755 [0,1,0,0,0,0|2,0,0]=3 2290 B11R1.27 COCOCc1cc(cs1)C ae32df100202969fb5332eb42b3ad59b [0,1,0,0,0,0|2,0,0]=3 2291 B11R1.27 COCOCc1cc(cs1)Cl 07cf63648c0ceb675db071ba0058a3e2 [0,1,0,0,0,0|2,0,0]=3 2292 B11R1.27 COCOCc1ccc(o1)Br 85721be05b5fc3c58b7dd240b74bd9e2 [0,1,0,0,0,0|2,1,0]=4 2293 B11R1.27 COCOCc1ccc(o1)C b0383b9f35a72c0cb0720e362623b939 [0,1,0,0,0,0|2,1,0]=4 2294 B11R1.27 COCOCc1ccc(s1)Br 922a5e64d9c5684f1f054fe445c6ee10 [0,1,0,0,0,0|2,0,0]=3 2295 B11R1.27 COCOCc1ccc(s1)C 7d42876220095e731313a6db69ca3f51 [0,1,0,0,0,0|2,0,0]=3 2296 B11R1.27 COCOCc1ccc(s1)Cl 58ef4def3cde2b82d29bea0118320b3b [0,1,0,0,0,0|2,0,0]=3 2297 B11R1.27 COCOCc1ccc(s1)F c347a469ecbf526b769f3eeb831f831a [0,1,0,0,0,0|2,0,0]=3 2298 B11R1.27 COCOCc1cnc(s1)Br 24f21ca78fb4084226c33e510c2ab342 [0,1,0,0,0,0|3,0,0]=4 2299 B11R1.27 COCOCc1cnc(s1)C 7f91d3fd43dd41bfd071e64489c2130b [0,1,0,0,0,0|3,0,0]=4 2300 B11R1.27 COCOCc1cnc(s1)Cl e6b1333a2502a143a47a43bdd76ed31b [0,1,0,0,0,0|3,0,0]=4 2301 B11R1.27 COCOCc1nc(cs1)Br 2dc35ed115631fbcdede61d04a5affa5 [0,1,0,0,0,0|3,0,0]=4 2302 B11R1.27 COCOCc1nc(cs1)C fab7575f981afae9301ee89d09dea28f [0,1,0,0,0,0|3,0,0]=4 2303 B11R1.27 COCOCc1ncc(s1)Br d5fd4b10c2cad4de45593a7c27db215a [0,1,0,0,0,0|3,0,0]=4 2304 B11R1.27 COCOCc1ncc(s1)C 0e507ab98b01648b058f6fc812db52eb [0,1,0,0,0,0|3,0,0]=4 2305 B11R1.27 COCOCc1ncc(s1)Cl 50485fa5d2d63452bb417dbe1091ed34 [0,1,0,0,0,0|3,0,0]=4 2306 B11R1.27 CSCCNc1cc(ns1)C 82f9c4eb6d4afdfe29c708a35bebd98b [0,1,0,0,0,0|3,0,0]=4 2307 B11R1.27 CSCCNc1ccc(o1)C b9a14901d1c3c9004037a147536c8468 [0,1,0,0,0,0|2,1,0]=4 2308 B11R1.27 CSCCNc1ccc(s1)Br 21bbb9e9db21becfcfb8c832aee4481c [0,1,0,0,0,0|2,0,0]=3 2309 B11R1.27 CSCCNc1ccc(s1)C 9a2b8f4c0439bf5def2b2351b4ba502c [0,1,0,0,0,0|2,0,0]=3 2310 B11R1.27 CSCCNc1ccc(s1)F 860f5aac4107c928a370fa412a4603fc [0,1,0,0,0,0|2,0,0]=3 2311 B11R1.27 CSCCNc1cnc(s1)Br 8b1487334e3c70754414e800ba16908c [0,1,0,0,0,0|3,0,0]=4 2312 B11R1.27 CSCCNc1cnc(s1)C c7ad50fb4d165e0d58b1dce777503021 [0,1,0,0,0,0|3,0,0]=4 2313 B11R1.27 CSCCNc1cnc(s1)N a1781e1172233ce7dd9cd4f92ce53b23 [0,1,0,0,0,0|3,0,0]=4 2314 B11R1.27 CSCCNc1cnc(s1)S 126f876304409a80241c26c8519b06e8 [0,1,0,0,0,0|3,0,0]=4 2315 B11R1.27 CSCCNc1nc(cs1)Br 9258b21411fb254cfc4ea1fc8e6f7b96 [0,1,0,0,0,0|3,0,0]=4 2316 B11R1.27 CSCCNc1nc(cs1)C 918ab96883a78de71964f909f888a0b2 [0,1,0,0,0,0|3,0,0]=4 2317 B11R1.27 CSCCNc1nc(cs1)Cl eb58fd036bd5b35be76f5e789aae1639 [0,1,0,0,0,0|3,0,0]=4 2318 B11R1.27 CSCCNc1ncc(s1)Br b0a3071c992030b800808415e3419d82 [0,1,0,0,0,0|3,0,0]=4 2319 B11R1.27 CSCCNc1ncc(s1)C 6043499cc37810ba58f77bf56b81677b [0,1,0,0,0,0|3,0,0]=4 2320 B11R1.27 CSCCNc1ncc(s1)Cl c78b7e3588d88c30fe6e09202f4af631 [0,1,0,0,0,0|3,0,0]=4 2321 B11R1.27 CSCCNc1ncc(s1)F 43279ceaf894967262749f462d4e870b [0,1,0,0,0,0|3,0,0]=4 2322 B11R1.27 CSCCNc1ncc(s1)S 370bfad107d9a0353b3cf16408f7bf3c [0,1,0,0,0,0|3,0,0]=4 2323 B11R1.27 CSCCOc1cc(cs1)C c729007a9026b60126cfc3fd7affc984 [0,1,0,0,0,0|2,0,0]=3 2324 B11R1.27 CSCCOc1ccc(s1)Br 99baa74e36e96b34f533c0309e8eacb9 [0,1,0,0,0,0|2,0,0]=3 2325 B11R1.27 CSCCOc1nc(cs1)Br 3fe9c61127dd47cfe92c34c71d3db6aa [0,1,0,0,0,0|3,0,0]=4 2326 B11R1.27 CSCNCc1cc(c[nH]1)Br c82c8ef2e7d84fea83de4a1be0150c88 [0,1,0,0,0,0|3,0,0]=4 2327 B11R1.27 CSCNCc1cc(co1)C 8605ef5b19506a5eff27b26688d47486 [0,1,0,0,0,0|2,1,0]=4 2328 B11R1.27 CSCNCc1cc(cs1)Br f050a5ec1760389bf933f0f08e6a7947 [0,1,0,0,0,0|2,0,0]=3 2329 B11R1.27 CSCNCc1cc(cs1)C 76e27334567f0ba778a9b8eca4e12963 [0,1,0,0,0,0|2,0,0]=3 2330 B11R1.27 CSCNCc1cc(cs1)Cl 39ee3a6cde80ecd1105dc98346c44f67 [0,1,0,0,0,0|2,0,0]=3 2331 B11R1.27 CSCNCc1cc(ns1)Br 92d972a8de1e442c3b978c26fe2a4f69 [0,1,0,0,0,0|3,0,0]=4 2332 B11R1.27 CSCNCc1cc(ns1)C 7b68987e671727ead0947b50d8283176 [0,1,0,0,0,0|3,0,0]=4 2333 B11R1.27 CSCNCc1ccc(o1)Br 7ecec17bb534e7ec14a027cc8424c39f [0,1,0,0,0,0|2,1,0]=4 2334 B11R1.27 CSCNCc1ccc(o1)C 0625f1b52c9d5728e08d7f8e6fe8f9d5 [0,1,0,0,0,0|2,1,0]=4 2335 B11R1.27 CSCNCc1ccc(s1)Br 992c2f9e8fccb6869f679028d4566b6c [0,1,0,0,0,0|2,0,0]=3 2336 B11R1.27 CSCNCc1ccc(s1)C 4d80c525ccc2cd5d33a0bac68e9b947d [0,1,0,0,0,0|2,0,0]=3 2337 B11R1.27 CSCNCc1ccc(s1)Cl 3b5157f3e1c5a05ac86cf194381e9cae [0,1,0,0,0,0|2,0,0]=3 2338 B11R1.27 CSCNCc1ccc(s1)F a2521c37f9c1d97becb731ad1ad40599 [0,1,0,0,0,0|2,0,0]=3 2339 B11R1.27 CSCNCc1cnc(s1)Br 2506c945c5114a44e8e206d238af330c [0,1,0,0,0,0|3,0,0]=4 2340 B11R1.27 CSCNCc1cnc(s1)C 0838dc2d8810104936aec98513516c5c [0,1,0,0,0,0|3,0,0]=4 2341 B11R1.27 CSCNCc1cnc(s1)Cl eb7b64759e771dfe139574e525223522 [0,1,0,0,0,0|3,0,0]=4 2342 B11R1.27 CSCNCc1nc(cs1)Br 4e8482da4958dd1891d0c49185e73c07 [0,1,0,0,0,0|3,0,0]=4 2343 B11R1.27 CSCNCc1nc(cs1)C 4fb43a145996d0858bec405ad9c1d3a9 [0,1,0,0,0,0|3,0,0]=4 2344 B11R1.27 CSCNCc1nc(cs1)Cl 27c878e05c35689b50f03f94111997be [0,1,0,0,0,0|3,0,0]=4 2345 B11R1.27 CSCNCc1ncc(s1)C e7fcfdbca36df153c4acceef78880d42 [0,1,0,0,0,0|3,0,0]=4 2346 B11R1.27 CSCNCc1ncc(s1)Cl d49f5652c10fc18f4968a98eef222d74 [0,1,0,0,0,0|3,0,0]=4 2347 B11R1.27 CSCOCc1cc(co1)Br af15fc383f378d94a64a8af88705b1a8 [0,1,0,0,0,0|2,1,0]=4 2348 B11R1.27 CSCOCc1cc(cs1)Br 59e1d4aff7826810696759401eceb96a [0,1,0,0,0,0|2,0,0]=3 2349 B11R1.27 CSCOCc1cc(cs1)C 700bca528dd25184ee99ec8bb97f381c [0,1,0,0,0,0|2,0,0]=3 2350 B11R1.27 CSCOCc1cc(cs1)Cl 7fc397498232920072b010041958acb3 [0,1,0,0,0,0|2,0,0]=3 2351 B11R1.27 CSCOCc1ccc(o1)Br 24eb4ddd5aaa94f50e814af5f5055476 [0,1,0,0,0,0|2,1,0]=4 2352 B11R1.27 CSCOCc1ccc(o1)C e6f91dac6d42b75fc12e56aed9ad6d3e [0,1,0,0,0,0|2,1,0]=4 2353 B11R1.27 CSCOCc1ccc(s1)Br f068380a8666ef134d490aa1bc526436 [0,1,0,0,0,0|2,0,0]=3 2354 B11R1.27 CSCOCc1ccc(s1)C 22e08d2de4481659dc24c4d7c90d7e8d [0,1,0,0,0,0|2,0,0]=3 2355 B11R1.27 CSCOCc1ccc(s1)Cl a2fc41277ae207493728ce3b42fd51b2 [0,1,0,0,0,0|2,0,0]=3 2356 B11R1.27 CSCOCc1ccc(s1)F 1d8003bf423b4b6dad7367ce9575d18e [0,1,0,0,0,0|2,0,0]=3 2357 B11R1.27 CSCOCc1cnc(s1)Br 645485896c07483d17f8720eba2479ae [0,1,0,0,0,0|3,0,0]=4 2358 B11R1.27 CSCOCc1cnc(s1)C 06b553fb5522d887bc63896a4217c643 [0,1,0,0,0,0|3,0,0]=4 2359 B11R1.27 CSCOCc1nc(cs1)Br cdec93ef9c35ebbbf436c39de9d8ed15 [0,1,0,0,0,0|3,0,0]=4 2360 B11R1.27 CSCOCc1nc(cs1)C 2dd5903a819015f3244294fba7dcaaca [0,1,0,0,0,0|3,0,0]=4 2361 B11R1.27 CSCOCc1ncc(s1)Br 48507ee1bb9ce753ff4cd7530f663e7f [0,1,0,0,0,0|3,0,0]=4 2362 B11R1.27 CSCOCc1ncc(s1)C 5a41cb8bb4366245afde760c1088fc4f [0,1,0,0,0,0|3,0,0]=4 2363 B11R1.27 CSCOCc1ncc(s1)Cl 9122da7099470f14acc0bd9b74801d4a [0,1,0,0,0,0|3,0,0]=4 2364 B11R1.27 Cc1cc(sn1)CNCCF 4adadb44a24e7215b6e5942907571e4d [0,1,0,0,0,0|3,0,0]=4 2365 B11R1.27 Cc1cc(sn1)CNCCO 7f1229bb345891e174c9091a22355aa2 [0,1,0,0,0,0|3,0,0]=4 2366 B11R1.27 Cc1cc(sn1)CNCCS 29f5cd70dd7daa37b5470ad581c4f0c2 [0,1,0,0,0,0|3,0,0]=4 2367 B11R1.27 Cc1cc(sn1)NCCCCl 7df8d70a0e6e6644b67857c3099e4934 [0,1,0,0,0,0|3,0,0]=4 2368 B11R1.27 Cc1cc(sn1)NCCCF 4d17d542ba4930a972d62acb0e74ef11 [0,1,0,0,0,0|3,0,0]=4 2369 B11R1.27 Cc1cc(sn1)NCCCO 15723357b705b71b7ceb7931b9ff3964 [0,1,0,0,0,0|3,0,0]=4 2370 B11R1.27 Cc1cc(sn1)NCCCS d8e27b1c53ca03eff4fb269bd8adb342 [0,1,0,0,0,0|3,0,0]=4 2371 B11R1.27 Cc1ccc(o1)CCNCF b0f343f22f6e9b0d508f908b4bb9d170 [0,1,0,0,0,0|2,1,0]=4 2372 B11R1.27 Cc1ccc(o1)CCNCO 3bb03667d3c07ef5907cd7043b1ca5fb [0,1,0,0,0,0|2,1,0]=4 2373 B11R1.27 Cc1ccc(o1)CCOCF 825e9377a4b8e356cd07e6fb17babec7 [0,1,0,0,0,0|2,1,0]=4 2374 B11R1.27 Cc1ccc(o1)CNCCF 8a03744255c43867c1febfa149ad1cac [0,1,0,0,0,0|2,1,0]=4 2375 B11R1.27 Cc1ccc(o1)CNCCO cd6eb829ae980d11aad332e446771ad9 [0,1,0,0,0,0|2,1,0]=4 2376 B11R1.27 Cc1ccc(o1)CNCCS b6019f47fbf23376362f6b9a30c21b71 [0,1,0,0,0,0|2,1,0]=4 2377 B11R1.27 Cc1ccc(o1)COCCF 1a1654f1fcf163f9aefefb101ba55e91 [0,1,0,0,0,0|2,1,0]=4 2378 B11R1.27 Cc1ccc(o1)COCCS 8b8ce7a888ce0a9f7da621ed04624e31 [0,1,0,0,0,0|2,1,0]=4 2379 B11R1.27 Cc1ccc(o1)NCCCCl ded35675e9c3b47ac9a36d359f462da2 [0,1,0,0,0,0|2,1,0]=4 2380 B11R1.27 Cc1ccc(o1)NCCCO c64452969421de3b5347c016590cb12d [0,1,0,0,0,0|2,1,0]=4 2381 B11R1.27 Cc1ccc(s1)CCNC=O 41e961793edb8e4c98abb50a640ebe62 [0,1,0,0,0,0|2,0,1]=4 2382 B11R1.27 Cc1ccc(s1)CCNCF 24c15c473dd26811e0be2432378736e6 [0,1,0,0,0,0|2,0,0]=3 2383 B11R1.27 Cc1ccc(s1)CCNCO bca8ff37d2a6ce404e521c4b268e479b [0,1,0,0,0,0|2,0,0]=3 2384 B11R1.27 Cc1ccc(s1)CNCC#N cf6605d1b27f697796ff6a8161a9f4d2 [0,1,0,0,0,0|2,0,1]=4 2385 B11R1.27 Cc1ccc(s1)CNCC=O 49baa5d2e6ca78f2a476da563be757b5 [0,1,0,0,0,0|2,0,1]=4 2386 B11R1.27 Cc1ccc(s1)CNCCF 12089e434d02b635d14ce320b96e76f5 [0,1,0,0,0,0|2,0,0]=3 2387 B11R1.27 Cc1ccc(s1)CNCCO 365edf9407d1e290d09edd0a6e56a79e [0,1,0,0,0,0|2,0,0]=3 2388 B11R1.27 Cc1ccc(s1)CNCCS 107ee17860bd899baeee39e6890d52d3 [0,1,0,0,0,0|2,0,0]=3 2389 B11R1.27 Cc1ccc(s1)COCC#N c45fcaefc69cf88385be7734367df95c [0,1,0,0,0,0|2,0,1]=4 2390 B11R1.27 Cc1ccc(s1)COCC=O 0aee1ef23a91b0f5db45e50a5bc0f983 [0,1,0,0,0,0|2,0,1]=4 2391 B11R1.27 Cc1ccc(s1)COCCF 14c26c8f6696640e1bac4f8c10e8c7ed [0,1,0,0,0,0|2,0,0]=3 2392 B11R1.27 Cc1ccc(s1)COCCS fccddbfd45f1b0cf6fa5883fa0741711 [0,1,0,0,0,0|2,0,0]=3 2393 B11R1.27 Cc1ccc(s1)NCCC#N 79f0e0214af4381f4b66586afef6a243 [0,1,0,0,0,0|2,0,1]=4 2394 B11R1.27 Cc1ccc(s1)NCCC=O 414ad391c603b4fa6fc48e7057aa9843 [0,1,0,0,0,0|2,0,1]=4 2395 B11R1.27 Cc1ccc(s1)NCCCCl 0d192c14cb2e667acbf7a2ea4445940f [0,1,0,0,0,0|2,0,0]=3 2396 B11R1.27 Cc1ccc(s1)NCCCF 09d12c2aaa941754693fedf2dee3ec5e [0,1,0,0,0,0|2,0,0]=3 2397 B11R1.27 Cc1ccc(s1)NCCCO b28364eaf3c964c120d81a4f80e9aa43 [0,1,0,0,0,0|2,0,0]=3 2398 B11R1.27 Cc1ccc(s1)NCCCS 54139e919df6bf71d9bb45290bc84504 [0,1,0,0,0,0|2,0,0]=3 2399 B11R1.27 Cc1ccc(s1)NCCON ee5bc9d6e7e1ec66a9521c851784f7c8 [0,1,0,0,0,0|3,0,0]=4 2400 B11R1.27 Cc1cnc(s1)CNCCF eb03f7baf3c3a90b63f8d6dae0d1f114 [0,1,0,0,0,0|3,0,0]=4 2401 B11R1.27 Cc1cnc(s1)CNCCO edbd0c757c860be854b7acdafdd1f93f [0,1,0,0,0,0|3,0,0]=4 2402 B11R1.27 Cc1cnc(s1)CNCCS 8d2b0997ce359b3c0eddcb01dcfb2daf [0,1,0,0,0,0|3,0,0]=4 2403 B11R1.27 Cc1cnc(s1)COCCF d0e138c24fccb483f419292cf104b3d4 [0,1,0,0,0,0|3,0,0]=4 2404 B11R1.27 Cc1cnc(s1)COCCS 75b47ad5d2cf821d95e77e5e426a4509 [0,1,0,0,0,0|3,0,0]=4 2405 B11R1.27 Cc1cnc(s1)NCCCF 278f9837536349383f7928dbca829903 [0,1,0,0,0,0|3,0,0]=4 2406 B11R1.27 Cc1cnc(s1)NCCCO 2157b6e616b0faa7afd10676091d0f8c [0,1,0,0,0,0|3,0,0]=4 2407 B11R1.27 Cc1cnc(s1)NCCCS 5d27ac0428313dae8abcf0c5430d4715 [0,1,0,0,0,0|3,0,0]=4 2408 B11R1.27 Cc1coc(c1)CNCCF ecf4ab065535062e1e39e79bbc287af4 [0,1,0,0,0,0|2,1,0]=4 2409 B11R1.27 Cc1coc(c1)CNCCO 2ee81d615a89a75a094dc7bff9b3d08e [0,1,0,0,0,0|2,1,0]=4 2410 B11R1.27 Cc1coc(c1)CNCCS 47ebe957db72b532aa6e1e370c88507a [0,1,0,0,0,0|2,1,0]=4 2411 B11R1.27 Cc1csc(c1)CNCC#N ec9fff7049590943a8d14b4a5f9bc2a9 [0,1,0,0,0,0|2,0,1]=4 2412 B11R1.27 Cc1csc(c1)CNCC=O ee2729b5a7c13c5156f6daa57b94341b [0,1,0,0,0,0|2,0,1]=4 2413 B11R1.27 Cc1csc(c1)CNCCF 39763e7893a4fa699206401586d2ce66 [0,1,0,0,0,0|2,0,0]=3 2414 B11R1.27 Cc1csc(c1)CNCCO 76bb975603265b4f0c09d4c9fbc26a71 [0,1,0,0,0,0|2,0,0]=3 2415 B11R1.27 Cc1csc(c1)CNCCS a3f9f8ef27dc90988a55f880f13c5841 [0,1,0,0,0,0|2,0,0]=3 2416 B11R1.27 Cc1csc(c1)COCC#N 81678bc7ca302d60549664ffdddddab9 [0,1,0,0,0,0|2,0,1]=4 2417 B11R1.27 Cc1csc(c1)COCC=O 57c4beb39afac5509eb22965855d84f5 [0,1,0,0,0,0|2,0,1]=4 2418 B11R1.27 Cc1csc(c1)COCCF 693643d55ae402057f7673c70c73ae31 [0,1,0,0,0,0|2,0,0]=3 2419 B11R1.27 Cc1csc(c1)COCCS d3f9b8ebaca0b18de020dc3621d84d0e [0,1,0,0,0,0|2,0,0]=3 2420 B11R1.27 Cc1csc(c1)OCCC#N 5db89a06495cc1f01669a8f2eb9b5ea2 [0,1,0,0,0,0|2,0,1]=4 2421 B11R1.27 Cc1csc(c1)OCCC=O 0fce170c8420f225d4067b82befd1453 [0,1,0,0,0,0|2,0,1]=4 2422 B11R1.27 Cc1csc(c1)OCCCF 1900b90db97c48460bb69acfcd777802 [0,1,0,0,0,0|2,0,0]=3 2423 B11R1.27 Cc1csc(c1)OCCCS cd4b5e762a5933c4af5f5e255a48b01b [0,1,0,0,0,0|2,0,0]=3 2424 B11R1.27 Cc1csc(n1)CCNCF a49d2fccd87359d4293e127c5737802c [0,1,0,0,0,0|3,0,0]=4 2425 B11R1.27 Cc1csc(n1)CCNCO 0eefa7a150d748ca61c9dba71aedba79 [0,1,0,0,0,0|3,0,0]=4 2426 B11R1.27 Cc1csc(n1)CCOCF 5169ced88034bb220ff10e7e167f8427 [0,1,0,0,0,0|3,0,0]=4 2427 B11R1.27 Cc1csc(n1)CNCCBr 5ef84f096b4de90d9043ff9113816f6d [0,1,0,0,0,0|3,0,0]=4 2428 B11R1.27 Cc1csc(n1)CNCCF 9f0fe3e1595b40def13597421e64910c [0,1,0,0,0,0|3,0,0]=4 2429 B11R1.27 Cc1csc(n1)CNCCI 069a986a567eec83bcaecead0494ef04 [0,1,0,0,0,0|3,0,0]=4 2430 B11R1.27 Cc1csc(n1)CNCCO fb8085dc58910fa79807ca1ba1f63a32 [0,1,0,0,0,0|3,0,0]=4 2431 B11R1.27 Cc1csc(n1)CNCCS 624a742874228f46f3541025a5e4458a [0,1,0,0,0,0|3,0,0]=4 2432 B11R1.27 Cc1csc(n1)COCCF 0fa0468046d4963af74bdd5519dac943 [0,1,0,0,0,0|3,0,0]=4 2433 B11R1.27 Cc1csc(n1)COCCS 02df768bb67f4ce0d13754fb72840655 [0,1,0,0,0,0|3,0,0]=4 2434 B11R1.27 Cc1csc(n1)NCCCCl 19fca54a6dcb816624cab51e7c2ef50b [0,1,0,0,0,0|3,0,0]=4 2435 B11R1.27 Cc1csc(n1)NCCCF 1ec7e5fa0c0f1b5288abd7ff45b306ff [0,1,0,0,0,0|3,0,0]=4 2436 B11R1.27 Cc1csc(n1)NCCCO 6fcd7af6a9233471be42fe98a4e0fb0d [0,1,0,0,0,0|3,0,0]=4 2437 B11R1.27 Cc1csc(n1)NCCCS 9e3e176f51021dda93f3874694ab37c3 [0,1,0,0,0,0|3,0,0]=4 2438 B11R1.27 Cc1ncc(s1)CCOCF 2e47b6c14b1cbfbb0f9efdd85a757094 [0,1,0,0,0,0|3,0,0]=4 2439 B11R1.27 Cc1ncc(s1)CNCCBr 89b94962d06de6b3e536660a7c800881 [0,1,0,0,0,0|3,0,0]=4 2440 B11R1.27 Cc1ncc(s1)CNCCF c9d9025808281122e7c4071648757c03 [0,1,0,0,0,0|3,0,0]=4 2441 B11R1.27 Cc1ncc(s1)CNCCI 7c552a6950b8f38b6ca714e6d904b67e [0,1,0,0,0,0|3,0,0]=4 2442 B11R1.27 Cc1ncc(s1)CNCCO 8ea686882c2993863c20a41488eeb448 [0,1,0,0,0,0|3,0,0]=4 2443 B11R1.27 Cc1ncc(s1)CNCCS 8baa593ac2df2850f188af902894df77 [0,1,0,0,0,0|3,0,0]=4 2444 B11R1.27 Cc1ncc(s1)COCCF 13acb61d4e0e6f330fa333956c2bf598 [0,1,0,0,0,0|3,0,0]=4 2445 B11R1.27 Cc1ncc(s1)COCCS 5672e60b9c549fe365a8f981b5105ff2 [0,1,0,0,0,0|3,0,0]=4 2446 B11R1.27 Cc1ncc(s1)NCCCCl 2c99ddcc3c0087e8f0eca52390175a60 [0,1,0,0,0,0|3,0,0]=4 2447 B11R1.27 Cc1ncc(s1)NCCCF b64b5919cff4f58437098ff1a5ce7520 [0,1,0,0,0,0|3,0,0]=4 2448 B11R1.27 Cc1ncc(s1)NCCCO b5ef223a59b356efd23091c15f557087 [0,1,0,0,0,0|3,0,0]=4 2449 B11R1.27 Cc1ncc(s1)NCCCS 0f1548adf407482ba7eb9a03fe01bb04 [0,1,0,0,0,0|3,0,0]=4 2450 B11R1.27 Clc1ccc(s1)CNCCBr dfe4bd5734d17552957da3e2c83fc170 [0,1,0,0,0,0|2,0,0]=3 2451 B11R1.27 Clc1ccc(s1)CNCCI 5731efb666eed8d4ebe382edeecad9dc [0,1,0,0,0,0|2,0,0]=3 2452 B11R1.27 Clc1cnc(s1)CNCCBr ea67c3f40d657bad7ea885ea1a6d1f36 [0,1,0,0,0,0|3,0,0]=4 2453 B11R1.27 Clc1cnc(s1)CNCCI ca095efeaf415c2362df9f6cdcdc32c6 [0,1,0,0,0,0|3,0,0]=4 2454 B11R1.27 Clc1ncc(s1)CNCCBr 8a05e4341bcdf63b5f8f718a6a9114ac [0,1,0,0,0,0|3,0,0]=4 2455 B11R1.27 Clc1ncc(s1)CNCCI 86ea37aaf214081ce0263b06fbfe9ab2 [0,1,0,0,0,0|3,0,0]=4 2456 B11R1.27 FCCCNc1ccc(s1)Br b6182cb77f0553c03643627ece22baf0 [0,1,0,0,0,0|2,0,0]=3 2457 B11R1.27 FCCCNc1cnc(s1)Br ace266a31fcb0cb6dbc6aaeb81fc81fc [0,1,0,0,0,0|3,0,0]=4 2458 B11R1.27 FCCCNc1cnc(s1)S 375972b61d553a7683020d8cc985fb36 [0,1,0,0,0,0|3,0,0]=4 2459 B11R1.27 FCCCNc1nc(cs1)Br f86e7832acaa7cc27de34e65b8faf167 [0,1,0,0,0,0|3,0,0]=4 2460 B11R1.27 FCCCNc1nc(cs1)Cl 5b865d86eb526af8200da855fe57da40 [0,1,0,0,0,0|3,0,0]=4 2461 B11R1.27 FCCCNc1ncc(s1)Br fc77766c5d39656c9bb82676c1203ca6 [0,1,0,0,0,0|3,0,0]=4 2462 B11R1.27 FCCCNc1ncc(s1)Cl eacfb0a9e208ff95efe537a334ff0c09 [0,1,0,0,0,0|3,0,0]=4 2463 B11R1.27 FCCCNc1ncc(s1)F 3a7597e60ebd475f2f9df98f590bdc11 [0,1,0,0,0,0|3,0,0]=4 2464 B11R1.27 FCCCOc1ccc(s1)Br 2fe9752f97375f30612256b58849cf08 [0,1,0,0,0,0|2,0,0]=3 2465 B11R1.27 FCCCOc1nc(cs1)Br a52a17ecdf2884776eacd928034eeb5e [0,1,0,0,0,0|3,0,0]=4 2466 B11R1.27 FCCNCc1cc(c[nH]1)Br 231638b3e17ad78793fffb5609f0da23 [0,1,0,0,0,0|3,0,0]=4 2467 B11R1.27 FCCNCc1cc(cs1)Br c408b082adf4f4a8dea92a74355a3cb7 [0,1,0,0,0,0|2,0,0]=3 2468 B11R1.27 FCCNCc1cc(cs1)Cl bcf8bb33fecd58a896321958d828df8f [0,1,0,0,0,0|2,0,0]=3 2469 B11R1.27 FCCNCc1cc(ns1)Br 1558aaf134fd605bafa36e49769bbc36 [0,1,0,0,0,0|3,0,0]=4 2470 B11R1.27 FCCNCc1ccc(o1)Br 76df08cd08eee00f456507da3f9be644 [0,1,0,0,0,0|2,1,0]=4 2471 B11R1.27 FCCNCc1ccc(s1)Br 6389a1c3205effd401a4cf24b5ccbf98 [0,1,0,0,0,0|2,0,0]=3 2472 B11R1.27 FCCNCc1ccc(s1)Cl 7e927fe4c7910ce1df7d4cf2a007df80 [0,1,0,0,0,0|2,0,0]=3 2473 B11R1.27 FCCNCc1ccc(s1)F f5842b3e3fd74dc1c48516c8183395ed [0,1,0,0,0,0|2,0,0]=3 2474 B11R1.27 FCCNCc1cnc(s1)Br c93df614e118fe89fff7c278d0062ab0 [0,1,0,0,0,0|3,0,0]=4 2475 B11R1.27 FCCNCc1cnc(s1)Cl a102bf6d7098599ce3291543c8cc1b6f [0,1,0,0,0,0|3,0,0]=4 2476 B11R1.27 FCCNCc1nc(cs1)Br a06eba94894d8d305b454c045ceb7b54 [0,1,0,0,0,0|3,0,0]=4 2477 B11R1.27 FCCNCc1nc(cs1)Cl f4d42b0fb8cfbd93b26e1a24e29f20a2 [0,1,0,0,0,0|3,0,0]=4 2478 B11R1.27 FCCNCc1ncc(s1)Br 3efcce324413f898f8f49360c1b80b60 [0,1,0,0,0,0|3,0,0]=4 2479 B11R1.27 FCCNCc1ncc(s1)Cl 964d75fba66279f46bbf5a5685dfd5bb [0,1,0,0,0,0|3,0,0]=4 2480 B11R1.27 FCCOCc1cc(co1)Br b7f96028b1793cecaa390c8cc7464a50 [0,1,0,0,0,0|2,1,0]=4 2481 B11R1.27 FCCOCc1cc(cs1)Br 7dc42dedfb6d0a0732f83ca328b5d85c [0,1,0,0,0,0|2,0,0]=3 2482 B11R1.27 FCCOCc1cc(cs1)Cl ed5720f20e45e9466ccd8bfebd062eb4 [0,1,0,0,0,0|2,0,0]=3 2483 B11R1.27 FCCOCc1ccc(o1)Br 1f84df3c65162e7b499f5b4685262b8c [0,1,0,0,0,0|2,1,0]=4 2484 B11R1.27 FCCOCc1ccc(s1)Br aea478ed3d5398646a4f0157ad97aa5d [0,1,0,0,0,0|2,0,0]=3 2485 B11R1.27 FCCOCc1ccc(s1)Cl 0c072cb983fae753ecd952b2bd5c6e16 [0,1,0,0,0,0|2,0,0]=3 2486 B11R1.27 FCCOCc1ccc(s1)F a70150cd2f0794c6a5a87a6e1d71e9db [0,1,0,0,0,0|2,0,0]=3 2487 B11R1.27 FCCOCc1cnc(s1)Br 541fd7dc945ba0394d6bbe9c2af0a90c [0,1,0,0,0,0|3,0,0]=4 2488 B11R1.27 FCCOCc1cnc(s1)Cl 4d8e4917a91b4f25e1c1d6c1a9c31c05 [0,1,0,0,0,0|3,0,0]=4 2489 B11R1.27 FCCOCc1nc(cs1)Br eab2639bb23f57df53f054b800f06651 [0,1,0,0,0,0|3,0,0]=4 2490 B11R1.27 FCCOCc1ncc(s1)Br fb6255f2de49988eeabb53d48c3f8cd4 [0,1,0,0,0,0|3,0,0]=4 2491 B11R1.27 FCCOCc1ncc(s1)Cl 26ce614f0f98a641645f7effdcd40b2d [0,1,0,0,0,0|3,0,0]=4 2492 B11R1.27 FCOCCc1nc(cs1)Br d9706ad60da4e7acf42621158cf95af8 [0,1,0,0,0,0|3,0,0]=4 2493 B11R1.27 Fc1ccc(s1)CNCCS d7a792e3f5e62211098853d7e16e1657 [0,1,0,0,0,0|2,0,0]=3 2494 B11R1.27 Fc1ccc(s1)COCCS ff27cffac0fdfb3ef4433994b0890a16 [0,1,0,0,0,0|2,0,0]=3 2495 B11R1.27 Fc1ccc(s1)NCCCCl da3675a969343f96d1f349eed15a88ed [0,1,0,0,0,0|2,0,0]=3 2496 B11R1.27 Fc1cnc(s1)NCCCS 9c5abb7008e19f7da5b56dbd55846791 [0,1,0,0,0,0|3,0,0]=4 2497 B11R1.27 N#CCCNc1ccc(s1)Br 46615d7c715d91e4ce46821b838c1d8b [0,1,0,0,0,0|2,0,1]=4 2498 B11R1.27 N#CCCNc1ccc(s1)F 0ddff2fa27f94d3d9643b4e9cab852ae [0,1,0,0,0,0|2,0,1]=4 2499 B11R1.27 N#CCCOc1ccc(s1)Br 74771075cb8d01362e4df51a0fc79051 [0,1,0,0,0,0|2,0,1]=4 2500 B11R1.27 N#CCNCc1cc(cs1)Br 1cb060284ba9f57c96d99ee80b49b151 [0,1,0,0,0,0|2,0,1]=4 2501 B11R1.27 N#CCNCc1cc(cs1)Cl fed9aa3b3b7374a1f4991b33ed290f65 [0,1,0,0,0,0|2,0,1]=4 2502 B11R1.27 N#CCNCc1ccc(s1)Br 831824411d1705c922983548a881235a [0,1,0,0,0,0|2,0,1]=4 2503 B11R1.27 N#CCNCc1ccc(s1)Cl 8ac03ac0a25b3930ba8cb312c7aa3da3 [0,1,0,0,0,0|2,0,1]=4 2504 B11R1.27 N#CCNCc1ccc(s1)F a869f92fbd469c2ece01cbfb529c31eb [0,1,0,0,0,0|2,0,1]=4 2505 B11R1.27 N#CCOCc1cc(cs1)Br f1468d0b1316c4e33b53f2b17d8261f0 [0,1,0,0,0,0|2,0,1]=4 2506 B11R1.27 N#CCOCc1cc(cs1)Cl 397ceaedbcdca63a7e1ef64a2c14d554 [0,1,0,0,0,0|2,0,1]=4 2507 B11R1.27 N#CCOCc1ccc(s1)Br b99eb343f6f2bd94fe39cb18e60ca43f [0,1,0,0,0,0|2,0,1]=4 2508 B11R1.27 N#CCOCc1ccc(s1)Cl 0c15eb3e5d320da87c73b61dbf2c0400 [0,1,0,0,0,0|2,0,1]=4 2509 B11R1.27 N#CCOCc1ccc(s1)F 2dcbf3d05d6f522c595b1a8128a3e872 [0,1,0,0,0,0|2,0,1]=4 2510 B11R1.27 NOCCNc1cc(cs1)F 6df4ed14693c63926fdbad8d95111a2e [0,1,0,0,0,0|3,0,0]=4 2511 B11R1.27 NOCCNc1ccc(s1)F 91ad6deb2cc372979ad446665d901077 [0,1,0,0,0,0|3,0,0]=4 2512 B11R1.27 NOCCNc1ccc(s1)O 9965d333d26953d63340380551d024b1 [0,1,0,0,0,0|3,0,0]=4 2513 B11R1.27 Nc1ncc(s1)NCCCCl 767a86e5201910b37a21e24c61cc85ea [0,1,0,0,0,0|3,0,0]=4 2514 B11R1.27 Nc1ncc(s1)NCCCO e7a0d89748e6c7098097c14c37550418 [0,1,0,0,0,0|3,0,0]=4 2515 B11R1.27 O=CCCNc1ccc(s1)Br b6078eabb0eb2a7cbdf00e9eab24e578 [0,1,0,0,0,0|2,0,1]=4 2516 B11R1.27 O=CCCOc1ccc(s1)Br 441a687b21ce8272c4259cf149aff178 [0,1,0,0,0,0|2,0,1]=4 2517 B11R1.27 O=CCNCc1cc(cs1)Br 91dc47120d94c915a82a766bd1bfe1a4 [0,1,0,0,0,0|2,0,1]=4 2518 B11R1.27 O=CCNCc1cc(cs1)Cl e7cd87e621449624eefcc6b46399067d [0,1,0,0,0,0|2,0,1]=4 2519 B11R1.27 O=CCNCc1ccc(s1)Br 0fefc1c4fbbc2d9fe0af9758038aa4c7 [0,1,0,0,0,0|2,0,1]=4 2520 B11R1.27 O=CCNCc1ccc(s1)Cl 7a2047d907cb37304444d64073d14cbd [0,1,0,0,0,0|2,0,1]=4 2521 B11R1.27 O=CCNCc1ccc(s1)F 03638cc135e50574284280a57d5cf96c [0,1,0,0,0,0|2,0,1]=4 2522 B11R1.27 O=CCOCc1cc(cs1)Br e62ae9e12bf0e0def2899eb52c6fb30b [0,1,0,0,0,0|2,0,1]=4 2523 B11R1.27 O=CCOCc1cc(cs1)Cl 50b700f8c10930e4f856eb6e18686896 [0,1,0,0,0,0|2,0,1]=4 2524 B11R1.27 O=CCOCc1ccc(s1)Br 7006420230161a8f4acec0e926f5934a [0,1,0,0,0,0|2,0,1]=4 2525 B11R1.27 O=CCOCc1ccc(s1)Cl 400e5c29961794216acafbfc1f4ad42a [0,1,0,0,0,0|2,0,1]=4 2526 B11R1.27 O=CCOCc1ccc(s1)F f8305010ede43e201df0d7199bd37571 [0,1,0,0,0,0|2,0,1]=4 2527 B11R1.27 O=CNCCc1ccc(s1)Br ee1507ea50188bf15bd354cd4d764203 [0,1,0,0,0,0|2,0,1]=4 2528 B11R1.27 OCCCNc1ccc(s1)Br 4f781e852f71f97a0fd4923ac1c90c08 [0,1,0,0,0,0|2,0,0]=3 2529 B11R1.27 OCCCNc1ccc(s1)F 5d2cd035cb55620441aa6a0a48a528a6 [0,1,0,0,0,0|2,0,0]=3 2530 B11R1.27 OCCCNc1cnc(s1)Br 3a5482b2ec2f340560b8c7e1f951e638 [0,1,0,0,0,0|3,0,0]=4 2531 B11R1.27 OCCCNc1cnc(s1)S f36eb586e82590f994357634f46cb16b [0,1,0,0,0,0|3,0,0]=4 2532 B11R1.27 OCCCNc1nc(cs1)Br 96fe7595523321e4d30680352aade941 [0,1,0,0,0,0|3,0,0]=4 2533 B11R1.27 OCCCNc1nc(cs1)Cl e2393bda90f030c7a72d0d4b54415d5f [0,1,0,0,0,0|3,0,0]=4 2534 B11R1.27 OCCCNc1ncc(s1)Br 8aa97b3f812f4c56dbe5c2a006d080ff [0,1,0,0,0,0|3,0,0]=4 2535 B11R1.27 OCCCNc1ncc(s1)Cl f43acc2e0e1c578aff520496267d440d [0,1,0,0,0,0|3,0,0]=4 2536 B11R1.27 OCCCNc1ncc(s1)F ce80fdcdbbfebed22ed31a21d550f93c [0,1,0,0,0,0|3,0,0]=4 2537 B11R1.27 OCCNCc1cc(c[nH]1)Br ad4e6d128c0632c5ab6b127186f572f5 [0,1,0,0,0,0|3,0,0]=4 2538 B11R1.27 OCCNCc1cc(cs1)Br 1e70d890dbde4281170ea404bb79e042 [0,1,0,0,0,0|2,0,0]=3 2539 B11R1.27 OCCNCc1cc(cs1)Cl 0fb45cadc2d0c75df3c723d1fc0e4113 [0,1,0,0,0,0|2,0,0]=3 2540 B11R1.27 OCCNCc1cc(ns1)Br d98063432cf60e200af3f8dd75c30b8c [0,1,0,0,0,0|3,0,0]=4 2541 B11R1.27 OCCNCc1ccc(o1)Br c99237724ebacb96b542703d865ac965 [0,1,0,0,0,0|2,1,0]=4 2542 B11R1.27 OCCNCc1ccc(s1)Br 14cce73addba937e3833b680a2ab457c [0,1,0,0,0,0|2,0,0]=3 2543 B11R1.27 OCCNCc1ccc(s1)Cl 6479bec06fcb7896df228e741ebd3885 [0,1,0,0,0,0|2,0,0]=3 2544 B11R1.27 OCCNCc1ccc(s1)F 16199241357e7fcfe0aceef037bb190e [0,1,0,0,0,0|2,0,0]=3 2545 B11R1.27 OCCNCc1cnc(s1)Br 6ae98edde064eb2acdb5a9f8bd7d1f97 [0,1,0,0,0,0|3,0,0]=4 2546 B11R1.27 OCCNCc1cnc(s1)Cl e247eb0dbdaa8677a0c829cbcc23b8e5 [0,1,0,0,0,0|3,0,0]=4 2547 B11R1.27 OCCNCc1nc(cs1)Br e628576a2e0f20ebe7e6d7ebe41bd0de [0,1,0,0,0,0|3,0,0]=4 2548 B11R1.27 OCCNCc1nc(cs1)Cl d3489ef548fb5d7303a8174d4ed32c1b [0,1,0,0,0,0|3,0,0]=4 2549 B11R1.27 OCCNCc1ncc(s1)Br 9a0ca8a3a5f3c4959c3256e0f96c6f5b [0,1,0,0,0,0|3,0,0]=4 2550 B11R1.27 OCCNCc1ncc(s1)Cl 63266a52f4609194e1425e96eb3fdaac [0,1,0,0,0,0|3,0,0]=4 2551 B11R1.27 OCNCCc1ccc(s1)Br db19395b1d518c97b2b1cdbc2103acc5 [0,1,0,0,0,0|2,0,0]=3 2552 B11R1.27 SCCCNc1ccc(s1)Br af5765a5d4066945c8091eb277c2a100 [0,1,0,0,0,0|2,0,0]=3 2553 B11R1.27 SCCCNc1cnc(s1)Br 48f6d116c31e46ebd4933f32c53f3f2a [0,1,0,0,0,0|3,0,0]=4 2554 B11R1.27 SCCCNc1cnc(s1)S fed1407a7029ff050e8f35091dc2f87c [0,1,0,0,0,0|3,0,0]=4 2555 B11R1.27 SCCCNc1nc(cs1)Br af864bdd2ecb50d471bdf43baef0fb9e [0,1,0,0,0,0|3,0,0]=4 2556 B11R1.27 SCCCNc1nc(cs1)Cl d6ad3c3cbc3b12b5ed4ea4ca86db7d82 [0,1,0,0,0,0|3,0,0]=4 2557 B11R1.27 SCCCNc1ncc(s1)Br 9864e187fcbccf21e3cffe97bef447c3 [0,1,0,0,0,0|3,0,0]=4 2558 B11R1.27 SCCCNc1ncc(s1)Cl deec5b6235794093666ed6cd4dbc65fe [0,1,0,0,0,0|3,0,0]=4 2559 B11R1.27 SCCCOc1ccc(s1)Br b4d950e8d5dec8c06e5bef1eb256c843 [0,1,0,0,0,0|2,0,0]=3 2560 B11R1.27 SCCCOc1nc(cs1)Br dc86e4bf4f22f159b4e4528c10b289c4 [0,1,0,0,0,0|3,0,0]=4 2561 B11R1.27 SCCNCc1cc(c[nH]1)Br 0d73b2f14285df693e71deeefd62192f [0,1,0,0,0,0|3,0,0]=4 2562 B11R1.27 SCCNCc1cc(cs1)Br 41d22d87bf48993fa510fe6a63ea6506 [0,1,0,0,0,0|2,0,0]=3 2563 B11R1.27 SCCNCc1cc(cs1)Cl 475b45823c2b7f9f98b497e60ad59f58 [0,1,0,0,0,0|2,0,0]=3 2564 B11R1.27 SCCNCc1cc(ns1)Br 8f1da9206c2ad2f2f77c5a8e1a1f858e [0,1,0,0,0,0|3,0,0]=4 2565 B11R1.27 SCCNCc1ccc(o1)Br 4eed9db3a90505f9d893c451f8b31046 [0,1,0,0,0,0|2,1,0]=4 2566 B11R1.27 SCCNCc1ccc(s1)Br 8031ceb77e7cba999a6e4c318457898c [0,1,0,0,0,0|2,0,0]=3 2567 B11R1.27 SCCNCc1ccc(s1)Cl f9da32ca3a47c5c455ebfe9cfe1ad389 [0,1,0,0,0,0|2,0,0]=3 2568 B11R1.27 SCCNCc1cnc(s1)Br 6013f8c028c781c327a5163f28e4f2ce [0,1,0,0,0,0|3,0,0]=4 2569 B11R1.27 SCCNCc1cnc(s1)Cl 2a9a9714275ced50cb961cc2c98027ee [0,1,0,0,0,0|3,0,0]=4 2570 B11R1.27 SCCNCc1nc(cs1)Br 9f48ed8563ec7d6e2b08855aa1d94009 [0,1,0,0,0,0|3,0,0]=4 2571 B11R1.27 SCCNCc1nc(cs1)Cl 8debd756419f8b669de2d74d630199f1 [0,1,0,0,0,0|3,0,0]=4 2572 B11R1.27 SCCNCc1ncc(s1)Br bc66f2bec7988e8a69c9614611936fba [0,1,0,0,0,0|3,0,0]=4 2573 B11R1.27 SCCNCc1ncc(s1)Cl 2736ec2fdbc4a8fe428f7e6d462526fc [0,1,0,0,0,0|3,0,0]=4 2574 B11R1.27 SCCOCc1cc(co1)Br 54daff8d11deaaea8b4ae66818d29a9a [0,1,0,0,0,0|2,1,0]=4 2575 B11R1.27 SCCOCc1cc(cs1)Br dc2f55c83e732e42c8b89d9e8301a31c [0,1,0,0,0,0|2,0,0]=3 2576 B11R1.27 SCCOCc1cc(cs1)Cl 8a78236013863d8322a3e14bfd024765 [0,1,0,0,0,0|2,0,0]=3 2577 B11R1.27 SCCOCc1ccc(o1)Br 97a3bcfdbd45a3d8597dfa7716087f71 [0,1,0,0,0,0|2,1,0]=4 2578 B11R1.27 SCCOCc1ccc(s1)Br 62169765c35783e9f2453e326a929bf5 [0,1,0,0,0,0|2,0,0]=3 2579 B11R1.27 SCCOCc1ccc(s1)Cl c6ef7c46ac549137a3fa9ab1167f589f [0,1,0,0,0,0|2,0,0]=3 2580 B11R1.27 SCCOCc1cnc(s1)Br f0f262b2b8eeefd86a3da9174aa8645a [0,1,0,0,0,0|3,0,0]=4 2581 B11R1.27 SCCOCc1cnc(s1)Cl f90d041968eb5f8c93d4055a0a28a18a [0,1,0,0,0,0|3,0,0]=4 2582 B11R1.27 SCCOCc1nc(cs1)Br f7acded460ad61ffba58723b406830ec [0,1,0,0,0,0|3,0,0]=4 2583 B11R1.27 SCCOCc1ncc(s1)Br 6975601d7d5c86d268be96925f7012eb [0,1,0,0,0,0|3,0,0]=4 2584 B11R1.27 SCCOCc1ncc(s1)Cl 8f610e500aaf9625e448148edba1b63a [0,1,0,0,0,0|3,0,0]=4 2585 B11R1.29 C#CCNC(C)c1cccs1 5da2998f239113dd03f9348160b6a1dc [0,1,0,0,0,0|1,0,2]=4 2586 B11R1.29 C#CCN[C@@H](C)c1cccs1 028da2bcd9352fee6e9df161a2fa2116 [0,1,0,0,0,0|1,0,2]=4 2587 B11R1.29 C#CCN[C@H](C)c1cccs1 8445aada8c3b0c517ece068c07465635 [0,1,0,0,0,0|1,0,2]=4 2588 B11R1.29 C#CCOC(C)c1cccs1 1efec90f1cef067d0088136301196a42 [0,1,0,0,0,0|1,0,2]=4 2589 B11R1.29 C#CCO[C@@H](C)c1cccs1 fce80beb9b089cc13dea08378647bf99 [0,1,0,0,0,0|1,0,2]=4 2590 B11R1.29 C#CCO[C@H](C)c1cccs1 023c293e30122de6bff2e3b4575a247e [0,1,0,0,0,0|1,0,2]=4 2591 B11R1.29 C=CCCN(C)c1cccs1 94db6c4d2ea426a89cc16c9b7f7201f5 [0,1,0,0,0,0|1,0,2]=4 2592 B11R1.29 C=CCNC(C)c1cccs1 f22ddbefe2aea7cde746cb57d71da3ef [0,1,0,0,0,0|1,0,2]=4 2593 B11R1.29 C=CCN[C@@H](C)c1cccs1 e514a111f25cdb86524bc84c09cc6ffa [0,1,0,0,0,0|1,0,2]=4 2594 B11R1.29 C=CCN[C@H](C)c1cccs1 2a3823d0169aae2ded8937d4a28ba145 [0,1,0,0,0,0|1,0,2]=4 2595 B11R1.29 C=CCOC(C)c1cccs1 737612bf54e5b5d09dc41cc2336674eb [0,1,0,0,0,0|1,0,2]=4 2596 B11R1.29 C=CCO[C@@H](C)c1cccs1 d748d7ebe38267f5330b922f2cf878e2 [0,1,0,0,0,0|1,0,2]=4 2597 B11R1.29 C=CCO[C@H](C)c1cccs1 0f891e0cf164c03e1b1ab0f8987445cf [0,1,0,0,0,0|1,0,2]=4 2598 B11R1.29 CC(NCC#N)c1cccs1 3b817c19fd3a88b596e3991d36d6f759 [0,1,0,0,0,0|2,0,1]=4 2599 B11R1.29 CC(NCC=O)c1cccs1 c3b533f89fee80114d631ff64d2a81ef [0,1,0,0,0,0|2,0,1]=4 2600 B11R1.29 CC(NCCF)c1ccco1 2a9add295a7376e24c0060f240d02c67 [0,1,0,0,0,0|2,1,0]=4 2601 B11R1.29 CC(NCCF)c1cccs1 495aa39084d2e63941e119bb5e94655d [0,1,0,0,0,0|2,0,0]=3 2602 B11R1.29 CC(NCCF)c1cncs1 3d8462d44d88196e8036aeb92a1a94f3 [0,1,0,0,0,0|3,0,0]=4 2603 B11R1.29 CC(NCCF)c1nccs1 a9390c6b76c77108c9d0f59b6b9a8672 [0,1,0,0,0,0|3,0,0]=4 2604 B11R1.29 CC(NCCO)c1ccco1 69d6c02ba83682b3efb129f6090de12a [0,1,0,0,0,0|2,1,0]=4 2605 B11R1.29 CC(NCCO)c1cccs1 178251ee969e40b34aecbb57b196bcbf [0,1,0,0,0,0|2,0,0]=3 2606 B11R1.29 CC(NCCO)c1cncs1 2d966ad56559784e617bb458a04c3d33 [0,1,0,0,0,0|3,0,0]=4 2607 B11R1.29 CC(NCCO)c1nccs1 061b4bc12d919dc11c76647f8451eef2 [0,1,0,0,0,0|3,0,0]=4 2608 B11R1.29 CC(NCCS)c1ccco1 df42ebe1a40d40339012260e8818d33d [0,1,0,0,0,0|2,1,0]=4 2609 B11R1.29 CC(NCCS)c1cccs1 5165a8607659b9ad38eb5e31eef3033e [0,1,0,0,0,0|2,0,0]=3 2610 B11R1.29 CC(NCCS)c1cncs1 c4ca549306987a27d58309a774dab46c [0,1,0,0,0,0|3,0,0]=4 2611 B11R1.29 CC(NCCS)c1nccs1 e65221f3f4cd31939cec4c8e1937cfbf [0,1,0,0,0,0|3,0,0]=4 2612 B11R1.29 CC(OCC#N)c1cccs1 f32fdfeb5efcdb64c85ac89cb9a8fc6f [0,1,0,0,0,0|2,0,1]=4 2613 B11R1.29 CC(OCC=O)c1cccs1 fc8c883e99ce134e15b60a4bf60e4513 [0,1,0,0,0,0|2,0,1]=4 2614 B11R1.29 CC(OCCF)c1ccco1 10f0dddbbecb7a4fa1347c04a154b2d6 [0,1,0,0,0,0|2,1,0]=4 2615 B11R1.29 CC(OCCF)c1cccs1 61716eec1617ebca8bcf206e78bc406c [0,1,0,0,0,0|2,0,0]=3 2616 B11R1.29 CC(OCCF)c1cncs1 36b5979f5f7c181016f351f718ef55a6 [0,1,0,0,0,0|3,0,0]=4 2617 B11R1.29 CC(OCCF)c1nccs1 1d5bdfa2a62eb0e26b99e9d059de42a2 [0,1,0,0,0,0|3,0,0]=4 2618 B11R1.29 CC(OCCS)c1ccco1 f4004cbc673a5ac19c3887f2e1bfe5ec [0,1,0,0,0,0|2,1,0]=4 2619 B11R1.29 CC(OCCS)c1cccs1 0789fc4d3098eedf3c18752533020792 [0,1,0,0,0,0|2,0,0]=3 2620 B11R1.29 CC(OCCS)c1cncs1 dc3193798feb0338c5ced97fc8a066c6 [0,1,0,0,0,0|3,0,0]=4 2621 B11R1.29 CC(OCCS)c1nccs1 a3c516f37d72e85a12b04145cca913e1 [0,1,0,0,0,0|3,0,0]=4 2622 B11R1.29 CCCCC(C)N1CC=CC1 6a830a30ea7fbe7020d650f6239b7443 [0,1,0,0,0,0|2,0,1]=4 2623 B11R1.29 CCCCN(C)c1cc[nH]n1 ff5a256682bfe23bc13c94f52bfe4083 [0,1,0,0,0,0|3,0,0]=4 2624 B11R1.29 CCCCN(C)c1ccns1 1e27408d50cde3146122b593db727a30 [0,1,0,0,0,0|2,0,0]=3 2625 B11R1.29 CCCCN(C)c1ccon1 bbfea199669bed60955e9ac7520d0fce [0,1,0,0,0,0|3,0,0]=4 2626 B11R1.29 CCCCN(C)c1ccsc1 73e8d03923f6fe8b0d0808b0a2b3448a [0,1,0,0,0,0|3,0,0]=4 2627 B11R1.29 CCCCN(C)c1ncc[nH]1 576b07109087348130088b54d54f6fe0 [0,1,0,0,0,0|3,0,0]=4 2628 B11R1.29 CCCCN(C)c1ncco1 86bdcf44921157adba12893b90cc5d2b [0,1,0,0,0,0|2,1,0]=4 2629 B11R1.29 CCCCN(C)c1nccs1 38174c21b3f5686eb8777300f990dbe9 [0,1,0,0,0,0|2,0,0]=3 2630 B11R1.29 CCCCN(C)c1nncs1 8f07c75ddffad166b060ff54ce675741 [0,1,0,0,0,0|3,0,0]=4 2631 B11R1.29 CCCNC(=O)c1ccco1 d8640482dae316c354eef2e19d31ea28 [0,1,0,0,0,0|1,1,1]=4 2632 B11R1.29 CCCNC(=O)c1cccs1 1ae41568b1bb950c7d429998b0d28b35 [0,1,0,0,0,0|1,0,1]=3 2633 B11R1.29 CCCNC(=O)c1ccns1 9d9271c488c7abd875ce72ed3cf44ba5 [0,1,0,0,0,0|2,0,1]=4 2634 B11R1.29 CCCNC(=O)c1cncs1 e91fe99ebdc2a4d8795f2723108d1eae [0,1,0,0,0,0|2,0,1]=4 2635 B11R1.29 CCCNC(=O)c1nccs1 b508beeea12b29e1771eeed4bc4b32ee [0,1,0,0,0,0|2,0,1]=4 2636 B11R1.29 CCCNC(C)c1cc[nH]n1 28e3d989293ac995617eba62b62b6d59 [0,1,0,0,0,0|3,0,0]=4 2637 B11R1.29 CCCNC(C)c1ccco1 7e86f1ea622a23860ffb4a628b926f5c [0,1,0,0,0,0|1,1,0]=3 2638 B11R1.29 CCCNC(C)c1cccs1 5aa9843479ce77815080bd0dc1188a66 [0,1,0,0,0,0|1,0,0]=2 2639 B11R1.29 CCCNC(C)c1ccoc1 ef27b7e57df58245be3f3d8d20e03887 [0,1,0,0,0,0|3,0,0]=4 2640 B11R1.29 CCCNC(C)c1ccon1 67656f1890715bf8dc850bd40dbce331 [0,1,0,0,0,0|3,0,0]=4 2641 B11R1.29 CCCNC(C)c1ccsc1 3762ff78ffa47e82acc1654c8ad2a60a [0,1,0,0,0,0|3,0,0]=4 2642 B11R1.29 CCCNC(C)c1cncs1 b181c0d1a82cac2404b531e5bf285b9e [0,1,0,0,0,0|2,0,0]=3 2643 B11R1.29 CCCNC(C)c1cscn1 ad7d90ea73700b59777dc1c5f6cd1f8c [0,1,0,0,0,0|3,0,0]=4 2644 B11R1.29 CCCNC(C)c1ncco1 7e876297f86bbbf2c23cc8f221d3f51e [0,1,0,0,0,0|2,1,0]=4 2645 B11R1.29 CCCNC(C)c1nccs1 4b153d61787ddbfb65149bddfbbc6838 [0,1,0,0,0,0|2,0,0]=3 2646 B11R1.29 CCCN[C@@H](C)c1cccs1 098413012ff26c797e0fcae43b28d795 [0,1,0,0,0,0|1,0,0]=2 2647 B11R1.29 CCCN[C@@H](C)c1ccoc1 b71226b1dd3058ada600f00f02af999d [0,1,0,0,0,0|3,0,0]=4 2648 B11R1.29 CCCN[C@@H](C)c1ccsc1 13a0bed531fe17a778f469fca8f6dbe4 [0,1,0,0,0,0|3,0,0]=4 2649 B11R1.29 CCCN[C@@H](C)c1cncs1 f461c22f2881698ee4a47ca8f4d7fbce [0,1,0,0,0,0|2,0,0]=3 2650 B11R1.29 CCCN[C@@H](C)c1nccs1 984d86b0b6ea319f15a29a69c1546559 [0,1,0,0,0,0|2,0,0]=3 2651 B11R1.29 CCCN[C@H](C)c1ccco1 842b31baf27b8ee70706649ada8ebef1 [0,1,0,0,0,0|1,1,0]=3 2652 B11R1.29 CCCN[C@H](C)c1cccs1 d06b2fe6113708b6534bdf5ede68b17d [0,1,0,0,0,0|1,0,0]=2 2653 B11R1.29 CCCOC(C)c1cc[nH]n1 d6a0ce1f98f8bd28d133e0d86e63b8ad [0,1,0,0,0,0|3,0,0]=4 2654 B11R1.29 CCCOC(C)c1ccco1 0c8192b3fce9fa8d97db205912c0cbc9 [0,1,0,0,0,0|1,1,0]=3 2655 B11R1.29 CCCOC(C)c1cccs1 7b6bdb3f83eaafe65831e71864baaf4a [0,1,0,0,0,0|1,0,0]=2 2656 B11R1.29 CCCOC(C)c1ccoc1 cd17fc6327b8a7dbf5c2dabbfe8c9b51 [0,1,0,0,0,0|3,0,0]=4 2657 B11R1.29 CCCOC(C)c1ccsc1 84fd32ab7c3c8822913027317a1ec36e [0,1,0,0,0,0|3,0,0]=4 2658 B11R1.29 CCCOC(C)c1cncs1 5d6cf7ab3ce80ac75c318aa589fbce87 [0,1,0,0,0,0|2,0,0]=3 2659 B11R1.29 CCCOC(C)c1ncc[nH]1 6b368c98d064f0f46fbea455c224981b [0,1,0,0,0,0|3,0,0]=4 2660 B11R1.29 CCCOC(C)c1nccs1 326ac3f09a63a9ce63f16659a3405401 [0,1,0,0,0,0|2,0,0]=3 2661 B11R1.29 CCCO[C@@H](C)c1cccs1 21ea319236f123ccc86c3b2cf90832cc [0,1,0,0,0,0|1,0,0]=2 2662 B11R1.29 CCCO[C@@H](C)c1nccs1 5769645f545128b436ab29090befb3b8 [0,1,0,0,0,0|2,0,0]=3 2663 B11R1.29 CCCO[C@H](C)c1ccco1 8a90bd4017346c35e1595975c1908a98 [0,1,0,0,0,0|1,1,0]=3 2664 B11R1.29 CCCO[C@H](C)c1cccs1 29e31d089cc062e1ef867d38e325320e [0,1,0,0,0,0|1,0,0]=2 2665 B11R1.29 CCCO[C@H](C)c1nccs1 661662ff2b4d6076cceaec1a6e6d6f54 [0,1,0,0,0,0|2,0,0]=3 2666 B11R1.29 CCNCC(C)n1cccn1 fdd638cb0a525134b4972d535cd7bb34 [0,1,0,0,0,0|3,0,0]=4 2667 B11R1.29 CCNCC(O)c1ccco1 528c2aad00677439131d2a8d894a2f6c [0,1,0,0,0,0|1,1,0]=3 2668 B11R1.29 CCNCC(O)c1cccs1 0c5890746682937c6b36dd00db074136 [0,1,0,0,0,0|1,0,0]=2 2669 B11R1.29 CCOCC(=O)c1ccco1 914a75ebe3137d0727414a3562da2864 [0,1,0,0,0,0|1,1,1]=4 2670 B11R1.29 CCOCC(C)n1cccn1 55f85cb0f7dca8112a7bc40c5ff47992 [0,1,0,0,0,0|3,0,0]=4 2671 B11R1.29 CCOCN(C)c1nccs1 8c5785ff7e2cfe229ae231a2c4aff8fb [0,1,0,0,0,0|3,0,0]=4 2672 B11R1.29 CN(CCCF)c1nccs1 7527a74b97fc6611c986deabef3e8eaf [0,1,0,0,0,0|3,0,0]=4 2673 B11R1.29 CN(CCCO)c1cccs1 e6daf353414ec8ee096ae8062390662c [0,1,0,0,0,0|2,0,0]=3 2674 B11R1.29 CN(CCCO)c1ccns1 3b32822a950c3bde8bae8fc5d79ef905 [0,1,0,0,0,0|3,0,0]=4 2675 B11R1.29 CN(CCCO)c1nccs1 fb488898a0f112257445f187267b9889 [0,1,0,0,0,0|3,0,0]=4 2676 B11R1.29 CN(CCCS)c1nccs1 b5904f6623e150d01da99ac09b8b766e [0,1,0,0,0,0|3,0,0]=4 2677 B11R1.29 COCCN(C)c1ccns1 e0de9d8142ba45e5c0d5f9a2b7916339 [0,1,0,0,0,0|3,0,0]=4 2678 B11R1.29 COCCN(C)c1cncs1 8f0ed0675e5f0614aad9d26aae8e7f2d [0,1,0,0,0,0|3,0,0]=4 2679 B11R1.29 COCCN(C)c1nccs1 e81e66ddf4db630313559d7dae727b54 [0,1,0,0,0,0|3,0,0]=4 2680 B11R1.29 COCNC(C)c1ccco1 32057decc3fed592a6e76a815459ddd1 [0,1,0,0,0,0|2,1,0]=4 2681 B11R1.29 COCNC(C)c1cccs1 3b24674dda4bffea02fa5c696846646c [0,1,0,0,0,0|2,0,0]=3 2682 B11R1.29 COCNC(C)c1cncs1 280ae0032eb39c2e343b7401cab1927b [0,1,0,0,0,0|3,0,0]=4 2683 B11R1.29 COCNC(C)c1nccs1 4ac2f429f352d7d89527a9521f5f75d2 [0,1,0,0,0,0|3,0,0]=4 2684 B11R1.29 COCN[C@@H](C)c1cccs1 bb20efd705b14af52964ac092ddcda40 [0,1,0,0,0,0|2,0,0]=3 2685 B11R1.29 COCN[C@@H](C)c1cncs1 55d2a954ac7ed2c7263d8d3c414ce5f9 [0,1,0,0,0,0|3,0,0]=4 2686 B11R1.29 COCN[C@@H](C)c1nccs1 359eecd7afbaa21d7da66cb1024d708f [0,1,0,0,0,0|3,0,0]=4 2687 B11R1.29 COCN[C@H](C)c1ccco1 be4dcc2f7ba04d40894497417b536ba9 [0,1,0,0,0,0|2,1,0]=4 2688 B11R1.29 COCN[C@H](C)c1cccs1 e440fa343a8570da830b6e758e6bc65d [0,1,0,0,0,0|2,0,0]=3 2689 B11R1.29 COCOC(C)c1cccs1 06f3e210bd8039883e4b9eb4d3849f9e [0,1,0,0,0,0|2,0,0]=3 2690 B11R1.29 COCOC(C)c1cncs1 a209c1a1def37cf531a9d9c3429c9905 [0,1,0,0,0,0|3,0,0]=4 2691 B11R1.29 COCOC(C)c1nccs1 4374ebef1f8328fb0d703198b40881c4 [0,1,0,0,0,0|3,0,0]=4 2692 B11R1.29 COCO[C@@H](C)c1cccs1 c5d768020123e13e8b004dba5303fd45 [0,1,0,0,0,0|2,0,0]=3 2693 B11R1.29 COCO[C@@H](C)c1nccs1 337b71eb353f8d9406eba337328547ed [0,1,0,0,0,0|3,0,0]=4 2694 B11R1.29 COCO[C@H](C)c1cccs1 3ac21856761ff36fcb4d4234de23e207 [0,1,0,0,0,0|2,0,0]=3 2695 B11R1.29 COCO[C@H](C)c1nccs1 4592208e85e9ce6ca3c7b849092d3ecb [0,1,0,0,0,0|3,0,0]=4 2696 B11R1.29 CSCCN(C)c1ccns1 d54251cdc48269db8e9090938a8c7f36 [0,1,0,0,0,0|3,0,0]=4 2697 B11R1.29 CSCCN(C)c1nccs1 290647de28de839d5bc5b1ad97fadb31 [0,1,0,0,0,0|3,0,0]=4 2698 B11R1.29 CSCNC(C)c1ccco1 af04926486f46f1ded73f9de1fe05881 [0,1,0,0,0,0|2,1,0]=4 2699 B11R1.29 CSCNC(C)c1cccs1 7f1f5d65c500f5fa210f862b46cd3652 [0,1,0,0,0,0|2,0,0]=3 2700 B11R1.29 CSCNC(C)c1cncs1 d784aec3cde570dc228c1c2a2cde4a6f [0,1,0,0,0,0|3,0,0]=4 2701 B11R1.29 CSCNC(C)c1nccs1 27113958d7c7f5b14785b214e2993d21 [0,1,0,0,0,0|3,0,0]=4 2702 B11R1.29 CSCN[C@@H](C)c1cccs1 2229784d746ed1b84851a3c9e19ced5d [0,1,0,0,0,0|2,0,0]=3 2703 B11R1.29 CSCN[C@@H](C)c1cncs1 55da22847879dc41d897edf19fa2b299 [0,1,0,0,0,0|3,0,0]=4 2704 B11R1.29 CSCN[C@@H](C)c1nccs1 e0603bc5a4249519a09bf8dea39a3b6f [0,1,0,0,0,0|3,0,0]=4 2705 B11R1.29 CSCN[C@H](C)c1ccco1 517be0c14aea623e338bc0e28f49ee13 [0,1,0,0,0,0|2,1,0]=4 2706 B11R1.29 CSCN[C@H](C)c1cccs1 f0596f2ad082efc8238fefbe2959a7d8 [0,1,0,0,0,0|2,0,0]=3 2707 B11R1.29 CSCOC(C)c1cccs1 2d946645b5b8511980f8323e33141230 [0,1,0,0,0,0|2,0,0]=3 2708 B11R1.29 CSCOC(C)c1cncs1 eacb2b006157d018521b2c1ea0a65312 [0,1,0,0,0,0|3,0,0]=4 2709 B11R1.29 CSCOC(C)c1nccs1 c125740bbee5856cf13fad64df221f28 [0,1,0,0,0,0|3,0,0]=4 2710 B11R1.29 CSCO[C@@H](C)c1cccs1 ec2d4a4c5fb0cce7f531f247147b4b1a [0,1,0,0,0,0|2,0,0]=3 2711 B11R1.29 CSCO[C@@H](C)c1nccs1 f14813378b2f9630e7614d5b8d9e1c8e [0,1,0,0,0,0|3,0,0]=4 2712 B11R1.29 CSCO[C@H](C)c1cccs1 e3e171f59b58807dd7ea8bda41d12704 [0,1,0,0,0,0|2,0,0]=3 2713 B11R1.29 CSCO[C@H](C)c1nccs1 0003ee1d8ff47745ce6d125181bda909 [0,1,0,0,0,0|3,0,0]=4 2714 B11R1.29 C[C@@H](NCC#N)c1cccs1 a86f849cd632838f98e7e3ff29b27865 [0,1,0,0,0,0|2,0,1]=4 2715 B11R1.29 C[C@@H](NCC=O)c1cccs1 a6079db1f193b74e2d1353f03805bc32 [0,1,0,0,0,0|2,0,1]=4 2716 B11R1.29 C[C@@H](NCCF)c1ccco1 99d0b04c2de0233367755b8adb89391f [0,1,0,0,0,0|2,1,0]=4 2717 B11R1.29 C[C@@H](NCCF)c1cccs1 1177b8a1da64108e6cf42392ff830a0c [0,1,0,0,0,0|2,0,0]=3 2718 B11R1.29 C[C@@H](NCCO)c1ccco1 a92e6290682e4a9cd9e77fa1613f2146 [0,1,0,0,0,0|2,1,0]=4 2719 B11R1.29 C[C@@H](NCCO)c1cccs1 7d46c54a3923fb84e22529dd07ad90fb [0,1,0,0,0,0|2,0,0]=3 2720 B11R1.29 C[C@@H](NCCS)c1ccco1 db60d68a1e1cf43e7b3d7c9ce11cc2eb [0,1,0,0,0,0|2,1,0]=4 2721 B11R1.29 C[C@@H](NCCS)c1cccs1 6e3c15a49087ca99f91716836a0d714f [0,1,0,0,0,0|2,0,0]=3 2722 B11R1.29 C[C@@H](OCC#N)c1cccs1 4d6f85ef5f0b4952678e320e5b76779f [0,1,0,0,0,0|2,0,1]=4 2723 B11R1.29 C[C@@H](OCC=O)c1cccs1 a966c43a54bab2887e5cd95e92205071 [0,1,0,0,0,0|2,0,1]=4 2724 B11R1.29 C[C@@H](OCCF)c1ccco1 f4d7d8c9ded12605d9a55c2d221894a1 [0,1,0,0,0,0|2,1,0]=4 2725 B11R1.29 C[C@@H](OCCF)c1cccs1 075553fc88fb36fd3effaef0dce5348e [0,1,0,0,0,0|2,0,0]=3 2726 B11R1.29 C[C@@H](OCCF)c1nccs1 8c2c7158e52ceb0c3ed0f943df174a59 [0,1,0,0,0,0|3,0,0]=4 2727 B11R1.29 C[C@@H](OCCS)c1ccco1 41565a4abc9e21b37ab8da4b94e920fb [0,1,0,0,0,0|2,1,0]=4 2728 B11R1.29 C[C@@H](OCCS)c1cccs1 f9fa2bc0d5234fae33a2fb072425c079 [0,1,0,0,0,0|2,0,0]=3 2729 B11R1.29 C[C@@H](OCCS)c1nccs1 c52f7268e97aea46cf9de07a575b3c1f [0,1,0,0,0,0|3,0,0]=4 2730 B11R1.29 C[C@H](NCC#N)c1cccs1 a0ca60cbaae016d85b8cb1d9edadf0d9 [0,1,0,0,0,0|2,0,1]=4 2731 B11R1.29 C[C@H](NCC=O)c1cccs1 a7d099a0c178d2f28e5fa385a780a97c [0,1,0,0,0,0|2,0,1]=4 2732 B11R1.29 C[C@H](NCCF)c1cccs1 afc09665bf4d3be0729380b98f1b8064 [0,1,0,0,0,0|2,0,0]=3 2733 B11R1.29 C[C@H](NCCF)c1cncs1 0b5d8c1dacbe1f0099608a49a5599e1c [0,1,0,0,0,0|3,0,0]=4 2734 B11R1.29 C[C@H](NCCF)c1nccs1 3ea4937b9fe08bea1fec5cecb86ddbd1 [0,1,0,0,0,0|3,0,0]=4 2735 B11R1.29 C[C@H](NCCO)c1cccs1 e49d828ad3101c5e88041c8e986aa3ea [0,1,0,0,0,0|2,0,0]=3 2736 B11R1.29 C[C@H](NCCO)c1cncs1 029c34ba5eddd97a44252e5ec99950c0 [0,1,0,0,0,0|3,0,0]=4 2737 B11R1.29 C[C@H](NCCO)c1nccs1 761454d5cd5312dff8ee06f06fc3a6a4 [0,1,0,0,0,0|3,0,0]=4 2738 B11R1.29 C[C@H](NCCS)c1cccs1 2f2b1ef6dfbcf21729310dd6a6d38225 [0,1,0,0,0,0|2,0,0]=3 2739 B11R1.29 C[C@H](NCCS)c1cncs1 42e3e47723a2994f67b95af321ae4f94 [0,1,0,0,0,0|3,0,0]=4 2740 B11R1.29 C[C@H](NCCS)c1nccs1 03a9524f03de9ee1ad65e0f8d7402e7e [0,1,0,0,0,0|3,0,0]=4 2741 B11R1.29 C[C@H](OCC#N)c1cccs1 2d8853e72f36339d23eac952a7e16c95 [0,1,0,0,0,0|2,0,1]=4 2742 B11R1.29 C[C@H](OCC=O)c1cccs1 09126f7f03d8e105e8a6a8904be4f0de [0,1,0,0,0,0|2,0,1]=4 2743 B11R1.29 C[C@H](OCCF)c1cccs1 c661b87ddfca00e55ce14c0d4dad4252 [0,1,0,0,0,0|2,0,0]=3 2744 B11R1.29 C[C@H](OCCF)c1nccs1 cc3040753f2bf4ce0a9510e40f2f1de7 [0,1,0,0,0,0|3,0,0]=4 2745 B11R1.29 C[C@H](OCCS)c1cccs1 2e341a256d0cbd9cfdc3c4b54dcdf551 [0,1,0,0,0,0|2,0,0]=3 2746 B11R1.29 C[C@H](OCCS)c1nccs1 e4fd5e959d2e7f3d85d4adb07900dbd9 [0,1,0,0,0,0|3,0,0]=4 2747 B11R1.29 O=C(NCCBr)c1cccs1 331cf389663d77aeea0129bf68a2925d [0,1,0,0,0,0|2,0,1]=4 2748 B11R1.29 O=C(NCCF)c1cccs1 9dae2ac8adb10fc0a2a428c2efd9277c [0,1,0,0,0,0|2,0,1]=4 2749 B11R1.29 O=C(NCCI)c1cccs1 5c45c09620601b3f7f3d99c70e7c8eec [0,1,0,0,0,0|2,0,1]=4 2750 B11R1.29 O=C(NCCO)c1cccs1 188d85a1296df35506e6f58e072aa86e [0,1,0,0,0,0|2,0,1]=4 2751 B11R1.29 O=C(NCCS)c1cccs1 c2a462f6c11566c870af0f7b13d5fade [0,1,0,0,0,0|2,0,1]=4 2752 B11R1.29 O=CNCC(O)c1cccs1 9875a03e15a5e7655b6105fa64131dec [0,1,0,0,0,0|2,0,1]=4 2753 B11R1.29 OC(CNCF)c1ccco1 3a0eeb21422252519cfbbac6487a41b0 [0,1,0,0,0,0|2,1,0]=4 2754 B11R1.29 OC(CNCF)c1cccs1 4b5d03e52c3e16b37dc8180a6b2fea69 [0,1,0,0,0,0|2,0,0]=3 2755 B11R1.29 OCNCC(O)c1ccco1 b3dbc901afe42871f041c3fb7a098a05 [0,1,0,0,0,0|2,1,0]=4 2756 B11R1.29 OCNCC(O)c1cccs1 dfc163744a15382dfa31d3cdc2c01e2d [0,1,0,0,0,0|2,0,0]=3 2757 B11R1.30 C#CCN(C)Cc1cccs1 521b8540553362562e1341a2a9baf159 [0,1,0,0,0,0|1,0,2]=4 2758 B11R1.30 C=CCN(C)Cc1cccs1 275b9e7cf7c9fa6ba2faf31a006fd69b [0,1,0,0,0,0|1,0,2]=4 2759 B11R1.30 CC(CC#N)Oc1cccs1 7328b4e61e44257bc17d5f33428820bb [0,1,0,0,0,0|2,0,1]=4 2760 B11R1.30 CC(CCO)Nc1ccns1 4da33118bb84a1a52831dbfec5559794 [0,1,0,0,0,0|3,0,0]=4 2761 B11R1.30 CC(CCO)Nc1nccs1 0e6be9038df1f6f7afa448f825102ee9 [0,1,0,0,0,0|3,0,0]=4 2762 B11R1.30 CC(Cc1ccc[nH]1)NCF d36e46bceb1cc909890563181f0fcd9a [0,1,0,0,0,0|3,0,0]=4 2763 B11R1.30 CC(Cc1ccc[nH]1)NCO b685a38204b678354884c7e01dd449d5 [0,1,0,0,0,0|3,0,0]=4 2764 B11R1.30 CC(Cc1ccco1)NCF 0abafa92c0ea077a616723fcd3eaaecc [0,1,0,0,0,0|2,1,0]=4 2765 B11R1.30 CC(Cc1ccco1)NCO f61e89355dc7e4af9beddee51ecd6afd [0,1,0,0,0,0|2,1,0]=4 2766 B11R1.30 CC(Cc1ccco1)OCF 5e346a47f8cd6d987e6b694513b36260 [0,1,0,0,0,0|2,1,0]=4 2767 B11R1.30 CCCC(=O)Nc1cccs1 e85255fe7df8b1c9d43477733b584e37 [0,1,0,0,0,0|1,0,1]=3 2768 B11R1.30 CCCC(=O)Nc1ccns1 2a74865dacf52b7f3354ddeff0f77c31 [0,1,0,0,0,0|2,0,1]=4 2769 B11R1.30 CCCC(=O)Nc1cncs1 c331b08b0db441dc3cb2dfd771fc3b07 [0,1,0,0,0,0|2,0,1]=4 2770 B11R1.30 CCCC(=O)Nc1nccs1 e9f83916e72fe67095f66a8ff23682db [0,1,0,0,0,0|2,0,1]=4 2771 B11R1.30 CCCC(C)CN1CC=CC1 86b67f3c2cbc7cc8b49cd171e3d468b0 [0,1,0,0,0,0|2,0,1]=4 2772 B11R1.30 CCCC(C)Nc1cc[nH]n1 b4b065909ce688095c4b048bb7b7386d [0,1,0,0,0,0|3,0,0]=4 2773 B11R1.30 CCCC(C)Nc1ccno1 a59d4ea592343bf0f35aa3486145a742 [0,1,0,0,0,0|2,1,0]=4 2774 B11R1.30 CCCC(C)Nc1ccns1 21bc4430b7f9709e06f8236356ff9fc4 [0,1,0,0,0,0|2,0,0]=3 2775 B11R1.30 CCCC(C)Nc1ccon1 ffad106731436be8ced1d762a3f2f8bd [0,1,0,0,0,0|3,0,0]=4 2776 B11R1.30 CCCC(C)Nc1ccsc1 fbef47c4458c88f411c7bd1d2ff9ed15 [0,1,0,0,0,0|3,0,0]=4 2777 B11R1.30 CCCC(C)Nc1cocn1 8a9f92e5b79c3d6facca7b044e5f8762 [0,1,0,0,0,0|3,0,0]=4 2778 B11R1.30 CCCC(C)Nc1cscn1 715eb8e2fd04c8850cf5ebef75b911c9 [0,1,0,0,0,0|3,0,0]=4 2779 B11R1.30 CCCC(C)Nc1ncco1 3b3abc37f1b3c759cd4bd5bbcc94dd4c [0,1,0,0,0,0|2,1,0]=4 2780 B11R1.30 CCCC(C)Nc1nccs1 c7695b71c92cc9661656c60f4813a6a2 [0,1,0,0,0,0|2,0,0]=3 2781 B11R1.30 CCCC(C)Oc1c[nH]cn1 978c9ea3b13cfd71c1faeecf279a2fef [0,1,0,0,0,0|3,0,0]=4 2782 B11R1.30 CCCC(C)Oc1ccco1 715c6a459f942b82fe295bae77d57485 [0,1,0,0,0,0|1,1,0]=3 2783 B11R1.30 CCCC(C)Oc1cccs1 796dc12e7e3554432ba77b7bb6595c04 [0,1,0,0,0,0|1,0,0]=2 2784 B11R1.30 CCCC(C)Oc1ccn[nH]1 a994effd900dbc339f308c0798d2de45 [0,1,0,0,0,0|3,0,0]=4 2785 B11R1.30 CCCC(C)Oc1ccsc1 ee117a61ff3684278ad9cc49fc666a26 [0,1,0,0,0,0|3,0,0]=4 2786 B11R1.30 CCCC(C)Oc1nccs1 800276f9fd018d94b21807354c854724 [0,1,0,0,0,0|2,0,0]=3 2787 B11R1.30 CCCC(C)Oc1nncs1 2ff2c5b1a02236ad86b5dde0ff62ef63 [0,1,0,0,0,0|3,0,0]=4 2788 B11R1.30 CCCC(C)On1cccn1 ff5ef82a61920299b2b78e85ba84b66b [0,1,0,0,0,0|3,0,0]=4 2789 B11R1.30 CCCN(C)Cc1ccc[nH]1 d8cc80f127505f144f5e5a57f8d3a508 [0,1,0,0,0,0|2,0,0]=3 2790 B11R1.30 CCCN(C)Cc1ccco1 13f6d562055bcf95cd6da20bf92f66e4 [0,1,0,0,0,0|1,1,0]=3 2791 B11R1.30 CCCN(C)Cc1cccs1 d47aa17881ff2fe293557d1c1372694d [0,1,0,0,0,0|1,0,0]=2 2792 B11R1.30 CCCN(C)Cc1ccn[nH]1 5739fa402a0ff75d9265e3629f3f86b3 [0,1,0,0,0,0|3,0,0]=4 2793 B11R1.30 CCCN(C)Cc1ccno1 a99acdba754350a71dec7efc621560e3 [0,1,0,0,0,0|2,1,0]=4 2794 B11R1.30 CCCN(C)Cc1ccoc1 8977ce9718cfaad00a8f445e9e6ba097 [0,1,0,0,0,0|3,0,0]=4 2795 B11R1.30 CCCN(C)Cc1ccon1 9360b71ddbdf78ab54d898ab34c7168f [0,1,0,0,0,0|3,0,0]=4 2796 B11R1.30 CCCN(C)Cc1ccsc1 5deed8c7bb0c8e4de79b0984350406fd [0,1,0,0,0,0|3,0,0]=4 2797 B11R1.30 CCCN(C)Cc1cncs1 7b796f5841e4716375d958c05cd8e465 [0,1,0,0,0,0|2,0,0]=3 2798 B11R1.30 CCCN(C)Cc1cocn1 c48c6b8af62af191f3cb84b0792f8a25 [0,1,0,0,0,0|3,0,0]=4 2799 B11R1.30 CCCN(C)Cc1cscn1 692950a50c7d9ed7195091a63430f2b4 [0,1,0,0,0,0|3,0,0]=4 2800 B11R1.30 CCCN(C)Cc1ncc[nH]1 489b95e2e3333e535afc4c7e057bb8bd [0,1,0,0,0,0|3,0,0]=4 2801 B11R1.30 CCCN(C)Cc1ncco1 69cfe9ea54e60b6bea38f714de2a46b1 [0,1,0,0,0,0|2,1,0]=4 2802 B11R1.30 CCCN(C)Cc1nccs1 00005974bb045b8b599c15d103d80ced [0,1,0,0,0,0|2,0,0]=3 2803 B11R1.30 CCC[C@H](C)Nc1ccns1 89d5b2122c7fd279c8b34e577e604ce9 [0,1,0,0,0,0|2,0,0]=3 2804 B11R1.30 CCNC(C)Cc1c[nH]cn1 890adc82d4ddb1d850124c26f5e2d212 [0,1,0,0,0,0|3,0,0]=4 2805 B11R1.30 CCNC(C)Cc1ccc[nH]1 9544ecf8ad212305936bbb7c8680e8b3 [0,1,0,0,0,0|2,0,0]=3 2806 B11R1.30 CCNC(C)Cc1ccco1 d3bc82612ebcebe3fdc3daa746d06097 [0,1,0,0,0,0|1,1,0]=3 2807 B11R1.30 CCNC(C)Cc1ccsc1 83308ceaeea130f4b35183b354587cd5 [0,1,0,0,0,0|3,0,0]=4 2808 B11R1.30 CCNC(C)Cn1cccn1 18b0f4ebf8da6ffae9e2e2a4707b1524 [0,1,0,0,0,0|3,0,0]=4 2809 B11R1.30 CCN[C@@H](C)Cc1c[nH]cn1 9a181267ba59ccaafbc8207412e20465 [0,1,0,0,0,0|3,0,0]=4 2810 B11R1.30 CCN[C@H](C)Cc1c[nH]cn1 213cc2413d44b8115606eef751860d0c [0,1,0,0,0,0|3,0,0]=4 2811 B11R1.30 CCOC(C)Cc1ccco1 4721e32c92e264327edcbf525712e92a [0,1,0,0,0,0|1,1,0]=3 2812 B11R1.30 CCOC(C)Cc1ccsc1 2743e83faf7d5517bf7a4e302aee5558 [0,1,0,0,0,0|3,0,0]=4 2813 B11R1.30 CN(CC#N)Cc1cccs1 3955d1f34b166e49cbb2f8b7dbcc62ae [0,1,0,0,0,0|2,0,1]=4 2814 B11R1.30 CN(CC=O)Cc1cccs1 dd33ffe7426d0ebd5b988f0a4350cdd9 [0,1,0,0,0,0|2,0,1]=4 2815 B11R1.30 CN(CCF)Cc1ccc[nH]1 1cb2792676cb11f0c20a4ff5aa58bb36 [0,1,0,0,0,0|3,0,0]=4 2816 B11R1.30 CN(CCF)Cc1ccco1 e0e1ef931189580e3b929bade441ce90 [0,1,0,0,0,0|2,1,0]=4 2817 B11R1.30 CN(CCF)Cc1cccs1 ddaff90bef565c4a302f60e6706cd4ae [0,1,0,0,0,0|2,0,0]=3 2818 B11R1.30 CN(CCF)Cc1cncs1 13f1ae26946fb12c545d99b45d686dda [0,1,0,0,0,0|3,0,0]=4 2819 B11R1.30 CN(CCF)Cc1nccs1 a22cb78aac9a2e5d1facfabf38fbda4a [0,1,0,0,0,0|3,0,0]=4 2820 B11R1.30 CN(CCO)Cc1ccc[nH]1 2bc3afeb437152317ff1d1e0987b1ba2 [0,1,0,0,0,0|3,0,0]=4 2821 B11R1.30 CN(CCO)Cc1ccco1 bb0b44836192bec5a850519fb0abb234 [0,1,0,0,0,0|2,1,0]=4 2822 B11R1.30 CN(CCO)Cc1cccs1 2560a9ed39cd733f3d523b939ea83a5d [0,1,0,0,0,0|2,0,0]=3 2823 B11R1.30 CN(CCO)Cc1cncs1 a2fadd500bcc026b81c1ef013bc8201d [0,1,0,0,0,0|3,0,0]=4 2824 B11R1.30 CN(CCO)Cc1nccs1 fe0ce7a707d9b3455e5fcc5d771f99f7 [0,1,0,0,0,0|3,0,0]=4 2825 B11R1.30 CN(CCS)Cc1ccc[nH]1 8401d88a46db011d0a8b110bdc52f45b [0,1,0,0,0,0|3,0,0]=4 2826 B11R1.30 CN(CCS)Cc1ccco1 60a49cd81cf67fb2fba8d60aa4e732fd [0,1,0,0,0,0|2,1,0]=4 2827 B11R1.30 CN(CCS)Cc1cccs1 39bd2b09cb8ce28da1becd7fe69b6b64 [0,1,0,0,0,0|2,0,0]=3 2828 B11R1.30 CN(CCS)Cc1cncs1 766a46c62c5a96e5c78ad94a53fd3e37 [0,1,0,0,0,0|3,0,0]=4 2829 B11R1.30 CN(CCS)Cc1nccs1 34a3408f7a55d14dbe20256bbfbab130 [0,1,0,0,0,0|3,0,0]=4 2830 B11R1.30 COCC(=O)Nc1cccs1 fbca31af7a27ff67c42c92ab71bc8d63 [0,1,0,0,0,0|2,0,1]=4 2831 B11R1.30 COCC(C)Nc1cccs1 3f0d7daa37ab164ab6c3fc43463d7079 [0,1,0,0,0,0|2,0,0]=3 2832 B11R1.30 COCC(C)Nc1ccns1 5b9a2dcb99aa3923fb6e24cbe387c300 [0,1,0,0,0,0|3,0,0]=4 2833 B11R1.30 COCC(C)Nc1cncs1 0385fb84d9cc5d333f16ee233b5698a5 [0,1,0,0,0,0|3,0,0]=4 2834 B11R1.30 COCC(C)Nc1nccs1 540e94f0b2fb058c4e422a3ee80fb5b7 [0,1,0,0,0,0|3,0,0]=4 2835 B11R1.30 COCC(C)Oc1ccco1 8c16ff75bc7d6180985e9463a9cff0e5 [0,1,0,0,0,0|2,1,0]=4 2836 B11R1.30 COCC(C)Oc1cccs1 527c0ef2862469748ada89e9e0f187f8 [0,1,0,0,0,0|2,0,0]=3 2837 B11R1.30 COCC(C)Oc1nccs1 23f6a489983f29f5f1e7b3906a12db16 [0,1,0,0,0,0|3,0,0]=4 2838 B11R1.30 COCN(C)Cc1ccc[nH]1 6eff77aef024dd8af07a269125b2ffad [0,1,0,0,0,0|3,0,0]=4 2839 B11R1.30 COCN(C)Cc1ccco1 9afefe6cd7805d50a849f951942e48c7 [0,1,0,0,0,0|2,1,0]=4 2840 B11R1.30 COCN(C)Cc1cccs1 2b2a4ffdac77907fdddd73ed4e60f9ea [0,1,0,0,0,0|2,0,0]=3 2841 B11R1.30 COCN(C)Cc1cncs1 c46aa03e8e0aac23dde7033306a49da9 [0,1,0,0,0,0|3,0,0]=4 2842 B11R1.30 COCN(C)Cc1nccs1 2921625fad4973a002456629ed1dca86 [0,1,0,0,0,0|3,0,0]=4 2843 B11R1.30 COC[C@@H](C)Nc1ccns1 6d0b529da5ed021a9d79baa63559a3ef [0,1,0,0,0,0|3,0,0]=4 2844 B11R1.30 COC[C@@H](C)Nc1nccs1 67f7295c90138c34b9882a4713bae492 [0,1,0,0,0,0|3,0,0]=4 2845 B11R1.30 COC[C@H](C)Nc1ccns1 3270e0fc750e274d666b42cd40204af9 [0,1,0,0,0,0|3,0,0]=4 2846 B11R1.30 COC[C@H](C)Nc1nccs1 2007e8340df305fed78cfac95ef763b7 [0,1,0,0,0,0|3,0,0]=4 2847 B11R1.30 CSCC(=O)Nc1cccs1 e1a3f9b8048fdfd149d89cad894707fd [0,1,0,0,0,0|2,0,1]=4 2848 B11R1.30 CSCN(C)Cc1ccc[nH]1 05accc3a0296fc11c45c6626bb908c6f [0,1,0,0,0,0|3,0,0]=4 2849 B11R1.30 CSCN(C)Cc1ccco1 947f2f8ea728cb9a65f44fa520372f3e [0,1,0,0,0,0|2,1,0]=4 2850 B11R1.30 CSCN(C)Cc1cccs1 09fff3c6d27434ad9fa13249d67b850e [0,1,0,0,0,0|2,0,0]=3 2851 B11R1.30 CSCN(C)Cc1cncs1 75f7b153d59c17cba1469819cc9cb93d [0,1,0,0,0,0|3,0,0]=4 2852 B11R1.30 CSCN(C)Cc1nccs1 a22c4bf5965c467227cdc11a5d13de17 [0,1,0,0,0,0|3,0,0]=4 2853 B11R1.30 C[C@@H](CCO)Nc1ccns1 ab29c80a1b086eded61e936d7053f32a [0,1,0,0,0,0|3,0,0]=4 2854 B11R1.30 C[C@H](CCO)Nc1ccns1 a71274a19ce4c32f2c7b2908dd129572 [0,1,0,0,0,0|3,0,0]=4 2855 B11R1.30 O=C(CCF)Nc1cccs1 11954c15d658b87518dea01d2ae651db [0,1,0,0,0,0|2,0,1]=4 2856 B11R1.30 O=C(CCO)Nc1cccs1 4ef96122338343ae270a589c2d6406df [0,1,0,0,0,0|2,0,1]=4 2857 B11R1.30 O=C(CCS)Nc1cccs1 fdfbda4bb4d6e87c2bf10819d1387b88 [0,1,0,0,0,0|2,0,1]=4 2858 B11R1.172 C/C(=C/CNc1cccs1)/I 7b8ec30fda95dbe98402d9becc88bf73 [0,1,0,0,0,0|1,0,2]=4 2859 B11R1.172 C/C(=C/COc1cccs1)/I 5104da2c76a416a6f0eb7a26779baa08 [0,1,0,0,0,0|1,0,2]=4 2860 B11R1.172 C/C(=C\CNc1cccs1)/Cl 5064bc44f0f08470b74a6a869fc185db [0,1,0,0,0,0|1,0,2]=4 2861 B11R1.172 C/C(=C\COc1cccs1)/Cl 6d14cfe4242f8b0612dd542f2dbefa50 [0,1,0,0,0,0|1,0,2]=4 2862 B11R1.172 C=C(Br)CNCc1cccs1 461a6fab8ddb1e0461d57076630e44cf [0,1,0,0,0,0|1,0,2]=4 2863 B11R1.172 C=C(Br)COCc1cccs1 79acc3cb9e3d0a08c1b417f59d8fb12a [0,1,0,0,0,0|1,0,2]=4 2864 B11R1.172 C=C(C)CCNc1ccco1 d13ab3139578804f2db3f1bc827b21b8 [0,1,0,0,0,0|1,1,1]=4 2865 B11R1.172 C=C(C)CCNc1cccs1 5a089186d14dec5fc4073b9366288502 [0,1,0,0,0,0|1,0,1]=3 2866 B11R1.172 C=C(C)CCNc1ccns1 11e2bf981d7e11267b75c8fa99454fa4 [0,1,0,0,0,0|2,0,1]=4 2867 B11R1.172 C=C(C)CCNc1cncs1 8bb5a4db09f4f1cc63845a1a66caaf18 [0,1,0,0,0,0|2,0,1]=4 2868 B11R1.172 C=C(C)CCNc1nccs1 c9d1acba0fc2345f421918c8bed8432e [0,1,0,0,0,0|2,0,1]=4 2869 B11R1.172 C=C(C)CCOc1ccco1 b5bfa72618728008bf7e5b105d505c14 [0,1,0,0,0,0|1,1,1]=4 2870 B11R1.172 C=C(C)CCOc1cccs1 8b3bb761b6300d709236e7861da73eac [0,1,0,0,0,0|1,0,1]=3 2871 B11R1.172 C=C(C)CCOc1nccs1 738931b2d9af6aab4086d482528f29f2 [0,1,0,0,0,0|2,0,1]=4 2872 B11R1.172 C=C(C)CNCc1ccc[nH]1 24361a3a8cfef21fff5324d265aad641 [0,1,0,0,0,0|2,0,1]=4 2873 B11R1.172 C=C(C)CNCc1ccco1 b8e84244edcb166dae9a2b7d3f4218dd [0,1,0,0,0,0|1,1,1]=4 2874 B11R1.172 C=C(C)CNCc1cccs1 7ebf6cda319f82ed73d380f9dad6c522 [0,1,0,0,0,0|1,0,1]=3 2875 B11R1.172 C=C(C)CNCc1ccns1 6ccac0b285d2d8fe586edc30e383fe30 [0,1,0,0,0,0|2,0,1]=4 2876 B11R1.172 C=C(C)CNCc1cncs1 8c6f4a496ff66f96f36380fdcd4b0d0f [0,1,0,0,0,0|2,0,1]=4 2877 B11R1.172 C=C(C)CNCc1nccs1 8f1ae84dc447a1ffc0b99da9a021b4f8 [0,1,0,0,0,0|2,0,1]=4 2878 B11R1.172 C=C(C)COCc1ccc[nH]1 208f7238ede00f26b111960d3f28b4f5 [0,1,0,0,0,0|2,0,1]=4 2879 B11R1.172 C=C(C)COCc1ccco1 ee5f525ea9421d6d2e16283e93cac648 [0,1,0,0,0,0|1,1,1]=4 2880 B11R1.172 C=C(C)COCc1cccs1 7c2cb0f06dd6c65fd763460f0aa3e191 [0,1,0,0,0,0|1,0,1]=3 2881 B11R1.172 C=C(C)COCc1ccns1 73ce66c60123e2b8921e9704414cb5fc [0,1,0,0,0,0|2,0,1]=4 2882 B11R1.172 C=C(C)COCc1cncs1 61a992efd7fea06bcce54545fcec794d [0,1,0,0,0,0|2,0,1]=4 2883 B11R1.172 C=C(C)COCc1nccs1 adf14933ad11243aaaadb72dd5ac370f [0,1,0,0,0,0|2,0,1]=4 2884 B11R1.172 C=C(Cl)CNCc1cccs1 c66226cf4198af7e452a0c307d1d83e4 [0,1,0,0,0,0|1,0,2]=4 2885 B11R1.172 C=C(Cl)COCc1cccs1 d8fe300098ade9ed677333283ba1c164 [0,1,0,0,0,0|1,0,2]=4 2886 B11R1.172 C=C(F)CNCc1cccs1 366a2a00143d858fc0bb0cb2d9be91c7 [0,1,0,0,0,0|1,0,2]=4 2887 B11R1.172 C=C(F)COCc1cccs1 c50761d3301e50465733fb7029e7316d [0,1,0,0,0,0|1,0,2]=4 2888 B11R1.172 C=C(I)COCc1cccs1 2a53c40f9ac3a07ea51e45032a65da45 [0,1,0,0,0,0|1,0,2]=4 2889 B11R1.172 CC(=CCNc1cccs1)C 4bab43296fbe95b51c2395cb2d46dd83 [0,1,0,0,0,0|1,0,2]=4 2890 B11R1.172 CC(=CCNc1cccs1)Cl 10eef368c90d85d4c6074539a9f26c34 [0,1,0,0,0,0|1,0,2]=4 2891 B11R1.172 CC(=CCNc1cccs1)I e4c00762c0dc79912d2298ebb4bcf62b [0,1,0,0,0,0|1,0,2]=4 2892 B11R1.172 CC(=CCOc1cccs1)C 533b2b7ba40d63d053cdf6d03daff217 [0,1,0,0,0,0|1,0,2]=4 2893 B11R1.172 CC(=CCOc1cccs1)Cl fc4960b961b387f3fa1dcd9e67184d21 [0,1,0,0,0,0|1,0,2]=4 2894 B11R1.172 CC(=CCOc1cccs1)I 85f2f145afc4503fb90fefd776fd2123 [0,1,0,0,0,0|1,0,2]=4 2895 B11R1.172 CC(=O)CCNc1cccs1 3705e6b236dd0e242edc581b5639fa6d [0,1,0,0,0,0|1,0,1]=3 2896 B11R1.172 CC(=O)CCNc1ccns1 d2fe2729b8ffd28cfa6ff3bc9a9bd816 [0,1,0,0,0,0|2,0,1]=4 2897 B11R1.172 CC(=O)CCNc1cncs1 bce7d96e9d22cce9e72ec22be1ef03a0 [0,1,0,0,0,0|2,0,1]=4 2898 B11R1.172 CC(=O)CCNc1nccs1 3d5d28b8f113842ebbf2ec44dd1bf59f [0,1,0,0,0,0|2,0,1]=4 2899 B11R1.172 CC(=O)CCOc1ccco1 1304331aa569973df701f4c541cd36f9 [0,1,0,0,0,0|1,1,1]=4 2900 B11R1.172 CC(=O)CCOc1cccs1 b63fa1eb430f81b21edb5306b25d0cdb [0,1,0,0,0,0|1,0,1]=3 2901 B11R1.172 CC(=O)CCOc1nccs1 cf08ec43f863de4c460f793b78c9f67a [0,1,0,0,0,0|2,0,1]=4 2902 B11R1.172 CC(=O)CNCc1ccco1 5349a004945f22466223fdea062b1a26 [0,1,0,0,0,0|1,1,1]=4 2903 B11R1.172 CC(=O)CNCc1cccs1 b1e4a802d58216630369ed1cb1193c6c [0,1,0,0,0,0|1,0,1]=3 2904 B11R1.172 CC(=O)CNCc1nccs1 a8747eb331576143633e408625f188a4 [0,1,0,0,0,0|2,0,1]=4 2905 B11R1.172 CC(=O)COCc1ccco1 eb376918d478215b7784a307211ac4b9 [0,1,0,0,0,0|1,1,1]=4 2906 B11R1.172 CC(=O)COCc1cccs1 230c5eb2cad29c6e94ed984c95bb8914 [0,1,0,0,0,0|1,0,1]=3 2907 B11R1.172 CC(=O)COCc1nccs1 f6b227f8e0531f674da6013bb44fdfb1 [0,1,0,0,0,0|2,0,1]=4 2908 B11R1.172 CC(=O)NCCc1ccco1 f97fcd1be9cacf4675351753b4b97ccf [0,1,0,0,0,0|1,1,1]=4 2909 B11R1.172 CC(=O)NCCc1cccs1 b2bccd28809b44ec5e70798b6aa4c45f [0,1,0,0,0,0|1,0,1]=3 2910 B11R1.172 CC(=O)NCCc1nccs1 e199f90e06fe8a9fa8ec6cff53ae1078 [0,1,0,0,0,0|2,0,1]=4 2911 B11R1.172 CC(=O)OCNc1cccs1 9bfb4558c6114317955d0a73b0c80837 [0,1,0,0,0,0|2,0,1]=4 2912 B11R1.172 CC(=O)OCOc1cccs1 01a2361020ef2a379439fd07806b9e9d [0,1,0,0,0,0|2,0,1]=4 2913 B11R1.172 CC(C)CCCN1CC=CC1 a0aff21d62ece53643bea5c83b925e24 [0,1,0,0,0,0|2,0,1]=4 2914 B11R1.172 CC(C)CCNc1c[nH]cn1 7ae04c4a3f44fe3217857895da9d7971 [0,1,0,0,0,0|3,0,0]=4 2915 B11R1.172 CC(C)CCNc1cc[nH]n1 c4f7f5af6881a43dfe0f27811cba86ba [0,1,0,0,0,0|3,0,0]=4 2916 B11R1.172 CC(C)CCNc1ccco1 0e041b2f4b640f51ce49397377a10223 [0,1,0,0,0,0|1,1,0]=3 2917 B11R1.172 CC(C)CCNc1cccs1 b29fb4c479a2f9ae2c76659a475dd1e2 [0,1,0,0,0,0|1,0,0]=2 2918 B11R1.172 CC(C)CCNc1ccno1 3d49b3a1aa51156511680943bc45cc21 [0,1,0,0,0,0|2,1,0]=4 2919 B11R1.172 CC(C)CCNc1ccns1 a0e1712dc00a1679b2581c39df297134 [0,1,0,0,0,0|2,0,0]=3 2920 B11R1.172 CC(C)CCNc1ccoc1 7ebe9b14796b4c217c38dc26f6fec162 [0,1,0,0,0,0|3,0,0]=4 2921 B11R1.172 CC(C)CCNc1ccon1 0892a67cd95a19f3fad96d24db1b5363 [0,1,0,0,0,0|3,0,0]=4 2922 B11R1.172 CC(C)CCNc1ccsc1 b1936e67b0f711f22daf46cd19cf1f7b [0,1,0,0,0,0|3,0,0]=4 2923 B11R1.172 CC(C)CCNc1cncs1 959908c9ae3a5fade0a1447ac064efe8 [0,1,0,0,0,0|2,0,0]=3 2924 B11R1.172 CC(C)CCNc1cnns1 77bc3682a21f378763364bef6f6bbfa1 [0,1,0,0,0,0|3,0,0]=4 2925 B11R1.172 CC(C)CCNc1cocn1 bfea655ed1575f1b0dd1ca89604103c2 [0,1,0,0,0,0|3,0,0]=4 2926 B11R1.172 CC(C)CCNc1cscn1 c8a2387e0a0065f8cb937b99e1077f71 [0,1,0,0,0,0|3,0,0]=4 2927 B11R1.172 CC(C)CCNc1ncc[nH]1 be5a7158985d2b330535a065f4a3be64 [0,1,0,0,0,0|3,0,0]=4 2928 B11R1.172 CC(C)CCNc1ncco1 8fa04247aab3e66a2755473ad1724e74 [0,1,0,0,0,0|2,1,0]=4 2929 B11R1.172 CC(C)CCNc1nccs1 b1bb0da2418fff61f8b73320cc1c0a4b [0,1,0,0,0,0|2,0,0]=3 2930 B11R1.172 CC(C)CCNc1ncns1 9728172fbb323765f4c3f0cb00a4e008 [0,1,0,0,0,0|3,0,0]=4 2931 B11R1.172 CC(C)CCNc1nncs1 aeabcf974895b0fea95f3f85f9e42986 [0,1,0,0,0,0|3,0,0]=4 2932 B11R1.172 CC(C)CCOc1c[nH]cn1 9e5c4f69ca08c5d42944d2ec9516f86a [0,1,0,0,0,0|3,0,0]=4 2933 B11R1.172 CC(C)CCOc1ccco1 8d841360fc8b7eeb8a9816f92abe8dd7 [0,1,0,0,0,0|1,1,0]=3 2934 B11R1.172 CC(C)CCOc1cccs1 06337048459e9830423ea92a8c3a7917 [0,1,0,0,0,0|1,0,0]=2 2935 B11R1.172 CC(C)CCOc1ccn[nH]1 3d7241eb1277ba08ac640d47b36e7110 [0,1,0,0,0,0|3,0,0]=4 2936 B11R1.172 CC(C)CCOc1ccsc1 9ce5b490ff0614ff8e34f5809b096b0e [0,1,0,0,0,0|3,0,0]=4 2937 B11R1.172 CC(C)CCOc1nccs1 e16583ace1d8b9ff1e24d5ae20e14243 [0,1,0,0,0,0|2,0,0]=3 2938 B11R1.172 CC(C)CCOc1nncs1 3a03fb9caf7bcf846064f45af0727bcd [0,1,0,0,0,0|3,0,0]=4 2939 B11R1.172 CC(C)CCOn1cccn1 95fe1279c7ee57fa23644ca2bf29f2da [0,1,0,0,0,0|3,0,0]=4 2940 B11R1.172 CC(C)CNCc1cc[nH]c1 cc846d9e1d89b6014f7bfe04355228b4 [0,1,0,0,0,0|3,0,0]=4 2941 B11R1.172 CC(C)CNCc1ccc[nH]1 bd3755f5e4d405dc3cb2b6dadc26391b [0,1,0,0,0,0|2,0,0]=3 2942 B11R1.172 CC(C)CNCc1ccco1 1b61b056633b02c6b253717bdc3f6b4e [0,1,0,0,0,0|1,1,0]=3 2943 B11R1.172 CC(C)CNCc1cccs1 5df1be8740ff9b60507f6e6c6139b4e1 [0,1,0,0,0,0|1,0,0]=2 2944 B11R1.172 CC(C)CNCc1ccn[nH]1 affead81b3e7dc28ab5eebf73cd7182a [0,1,0,0,0,0|3,0,0]=4 2945 B11R1.172 CC(C)CNCc1ccno1 ec7666b49f70d02955d63e6f3ab44b34 [0,1,0,0,0,0|2,1,0]=4 2946 B11R1.172 CC(C)CNCc1ccns1 4b3a6fb03134c08923a2faf92b27591e [0,1,0,0,0,0|2,0,0]=3 2947 B11R1.172 CC(C)CNCc1ccoc1 abdce0e0b6e3e9e183851a8f16b7972b [0,1,0,0,0,0|3,0,0]=4 2948 B11R1.172 CC(C)CNCc1ccon1 05c603c24cb56ebe1cf6a9f48742bfc3 [0,1,0,0,0,0|3,0,0]=4 2949 B11R1.172 CC(C)CNCc1ccsc1 e375da7936875e25995a75a273cb508f [0,1,0,0,0,0|3,0,0]=4 2950 B11R1.172 CC(C)CNCc1ccsn1 8a1d893d693a0ae0935cdbca0b629c66 [0,1,0,0,0,0|3,0,0]=4 2951 B11R1.172 CC(C)CNCc1cnc[nH]1 5d4a4a4cefe01e5406004c925b3ccea7 [0,1,0,0,0,0|3,0,0]=4 2952 B11R1.172 CC(C)CNCc1cnco1 618ab552ed0ff021fb25d8ea827e0799 [0,1,0,0,0,0|2,1,0]=4 2953 B11R1.172 CC(C)CNCc1cncs1 badf35925713ac7c077fce8bc89f8d75 [0,1,0,0,0,0|2,0,0]=3 2954 B11R1.172 CC(C)CNCc1cocn1 d473fdf953f5dcc481e81f7f468b8658 [0,1,0,0,0,0|3,0,0]=4 2955 B11R1.172 CC(C)CNCc1cscn1 9f98f81de7b76a6b06052361c46a0b95 [0,1,0,0,0,0|3,0,0]=4 2956 B11R1.172 CC(C)CNCc1ncc[nH]1 f10597b04f80aa8c8deacce451617a7f [0,1,0,0,0,0|3,0,0]=4 2957 B11R1.172 CC(C)CNCc1ncco1 47599f932c2b2b8dc110466137871c15 [0,1,0,0,0,0|2,1,0]=4 2958 B11R1.172 CC(C)CNCc1nccs1 35ee93ab0f27b94e170825e886d2ea02 [0,1,0,0,0,0|2,0,0]=3 2959 B11R1.172 CC(C)COCc1cc[nH]c1 d32a56aaff287a7a2d3ee05c33df49e4 [0,1,0,0,0,0|3,0,0]=4 2960 B11R1.172 CC(C)COCc1ccc[nH]1 5a8c3097a96460e302a65efef3ee13ad [0,1,0,0,0,0|2,0,0]=3 2961 B11R1.172 CC(C)COCc1ccco1 99062e49951b35e6277ae5df50b7eb8b [0,1,0,0,0,0|1,1,0]=3 2962 B11R1.172 CC(C)COCc1cccs1 9d12584da4da3768cc88ad1ee50f3323 [0,1,0,0,0,0|1,0,0]=2 2963 B11R1.172 CC(C)COCc1ccn[nH]1 e47f364175ee53cc14f3483444b70ffa [0,1,0,0,0,0|3,0,0]=4 2964 B11R1.172 CC(C)COCc1ccno1 0240489bbad69062b38605a77d2eed04 [0,1,0,0,0,0|2,1,0]=4 2965 B11R1.172 CC(C)COCc1ccns1 dbc3eeb5413352157e960502950ef46e [0,1,0,0,0,0|2,0,0]=3 2966 B11R1.172 CC(C)COCc1ccoc1 f9f3dacca4368645a18802fe7b1f131d [0,1,0,0,0,0|3,0,0]=4 2967 B11R1.172 CC(C)COCc1ccon1 a7a2fc37ea8a558c0c8328c30627fcda [0,1,0,0,0,0|3,0,0]=4 2968 B11R1.172 CC(C)COCc1ccsc1 5f9ec88250d33adb77f1a6ab8ef0f92a [0,1,0,0,0,0|3,0,0]=4 2969 B11R1.172 CC(C)COCc1ccsn1 ad886a34784e0e09bff30c01ee6a080b [0,1,0,0,0,0|3,0,0]=4 2970 B11R1.172 CC(C)COCc1cnc[nH]1 7559beef0a5fa47347df79ea01f4a275 [0,1,0,0,0,0|3,0,0]=4 2971 B11R1.172 CC(C)COCc1cnco1 03c178efb92149ff599fbbc26d9d2261 [0,1,0,0,0,0|2,1,0]=4 2972 B11R1.172 CC(C)COCc1cncs1 12f1980c50c6a3efa6c456e1da3cfed8 [0,1,0,0,0,0|2,0,0]=3 2973 B11R1.172 CC(C)COCc1cocn1 3477ea232e124e6f2045b520de137047 [0,1,0,0,0,0|3,0,0]=4 2974 B11R1.172 CC(C)COCc1cscn1 32993c89feb07607d6a9d27cd4988da3 [0,1,0,0,0,0|3,0,0]=4 2975 B11R1.172 CC(C)COCc1ncc[nH]1 7fbb1ae0ca2c1b3f95efb21fb2e3c7fa [0,1,0,0,0,0|3,0,0]=4 2976 B11R1.172 CC(C)COCc1ncco1 987d59bd6b526214c9dfc70588ee37f2 [0,1,0,0,0,0|2,1,0]=4 2977 B11R1.172 CC(C)COCc1nccs1 79e37879de0795b0ec50770976898442 [0,1,0,0,0,0|2,0,0]=3 2978 B11R1.172 CC(C)COCc1ncns1 a3755a01d6a4e53a4b1c71d901130aba [0,1,0,0,0,0|3,0,0]=4 2979 B11R1.172 CC(C)COCn1cccn1 3a7d10593f54869b931fa8d834e14cbd [0,1,0,0,0,0|3,0,0]=4 2980 B11R1.172 CC(C)NCCc1c[nH]cn1 d9b1093684083398f09b2bcc7c136d3f [0,1,0,0,0,0|3,0,0]=4 2981 B11R1.172 CC(C)NCCc1cc[nH]n1 19f8bfea33503f6d301578a663802f79 [0,1,0,0,0,0|3,0,0]=4 2982 B11R1.172 CC(C)NCCc1ccc[nH]1 2373d6633e894ab6620732174fbf2348 [0,1,0,0,0,0|2,0,0]=3 2983 B11R1.172 CC(C)NCCc1ccco1 f5a48b9013a3de5311256701c81ca609 [0,1,0,0,0,0|1,1,0]=3 2984 B11R1.172 CC(C)NCCc1ccsc1 635101e28400fe3ec9e545656df9f636 [0,1,0,0,0,0|3,0,0]=4 2985 B11R1.172 CC(C)NCCc1cscn1 8268b8eefd70916f6371029db98c0cad [0,1,0,0,0,0|3,0,0]=4 2986 B11R1.172 CC(C)NCCc1ncc[nH]1 a69741db26734503d0ab0defbe57728b [0,1,0,0,0,0|3,0,0]=4 2987 B11R1.172 CC(C)NCCc1nccs1 22245f012db5b34cbd3c6d6fbc31907a [0,1,0,0,0,0|2,0,0]=3 2988 B11R1.172 CC(C)NCCc1nncs1 b5aaea0d8ac29e3deadfccfb8da38bd7 [0,1,0,0,0,0|3,0,0]=4 2989 B11R1.172 CC(C)NCCn1cccc1 3f8b4596f98c55810820db0b27d21631 [0,1,0,0,0,0|3,0,0]=4 2990 B11R1.172 CC(C)NCCn1cccn1 d6b7145559ee08162a45046e431411c0 [0,1,0,0,0,0|3,0,0]=4 2991 B11R1.172 CC(C)OCCc1c[nH]cn1 afa4852823a31685051d73ac8913effc [0,1,0,0,0,0|3,0,0]=4 2992 B11R1.172 CC(C)OCCc1cc[nH]n1 e689d5d9c86bbb9489a6e9aebb82f3ec [0,1,0,0,0,0|3,0,0]=4 2993 B11R1.172 CC(C)OCCc1ccc[nH]1 b795ec8b9482be4f91d31fc84cdf4434 [0,1,0,0,0,0|2,0,0]=3 2994 B11R1.172 CC(C)OCCc1ccco1 e7f3ba800a326f72fff6110f1619a3df [0,1,0,0,0,0|1,1,0]=3 2995 B11R1.172 CC(C)OCCc1cccs1 2146c5876f28335c6af6107c79243d30 [0,1,0,0,0,0|1,0,0]=2 2996 B11R1.172 CC(C)OCCc1ccon1 6edfaca2055ed03eccf5f2973cbbe579 [0,1,0,0,0,0|3,0,0]=4 2997 B11R1.172 CC(C)OCCc1ccsc1 49bd09b63533e3db912f0818d987b581 [0,1,0,0,0,0|3,0,0]=4 2998 B11R1.172 CC(C)OCCc1cscn1 fc1cb18e419ffcc961dd1ccb5c250885 [0,1,0,0,0,0|3,0,0]=4 2999 B11R1.172 CC(C)OCCc1ncc[nH]1 092da5d9821e201f2d60de4bed55e682 [0,1,0,0,0,0|3,0,0]=4 3000 B11R1.172 CC(C)OCCc1nccs1 b595e721a30a74a4fc888d5c50af8b58 [0,1,0,0,0,0|2,0,0]=3 3001 B11R1.172 CC(C)OCCn1cccc1 1c91ae9527fd65aa47ad054313c29fd4 [0,1,0,0,0,0|3,0,0]=4 3002 B11R1.172 CC(C)OCCn1cccn1 0ee9b02b4e9d97cd3287fcf0c1cb0894 [0,1,0,0,0,0|3,0,0]=4 3003 B11R1.172 CC(C)OCNc1cccs1 902f5dfae26fa45a66ff6d07ce82312e [0,1,0,0,0,0|2,0,0]=3 3004 B11R1.172 CC(C)OCNc1ccns1 b9b52f8d81ea386e5592606e3e9a46aa [0,1,0,0,0,0|3,0,0]=4 3005 B11R1.172 CC(C)OCNc1cncs1 a0dd8c8f45695acb719c896188da9438 [0,1,0,0,0,0|3,0,0]=4 3006 B11R1.172 CC(C)OCNc1nccs1 a75e5c90d2cd45d9da29d818883d0642 [0,1,0,0,0,0|3,0,0]=4 3007 B11R1.172 CC(C)OCOc1ccco1 94ef49e4a6ce8f3dd52623eab2ad6e1b [0,1,0,0,0,0|2,1,0]=4 3008 B11R1.172 CC(C)OCOc1cccs1 795d0875cdce427bfb4649eb2c81626f [0,1,0,0,0,0|2,0,0]=3 3009 B11R1.172 CC(C)OCOc1nccs1 e009419124abcbb13730166c83652e6a [0,1,0,0,0,0|3,0,0]=4 3010 B11R1.172 CC(F)COCc1ccco1 d0f129770505d2aafab7a0041834f6ad [0,1,0,0,0,0|1,1,0]=3 3011 B11R1.172 CC(F)COCc1cccs1 9035fc746e51d6905252026e3e6a2ce5 [0,1,0,0,0,0|1,0,0]=2 3012 B11R1.172 CC(F)COCc1ccno1 44418fdafb4a14e1012fc711a7e87b14 [0,1,0,0,0,0|2,1,0]=4 3013 B11R1.172 CC(F)COCc1ccon1 3ab3f56453e35c9854fe8acda5d40da6 [0,1,0,0,0,0|3,0,0]=4 3014 B11R1.172 CC(F)COCc1ccsc1 5179ea0463970cefa06fb626c4d223d4 [0,1,0,0,0,0|3,0,0]=4 3015 B11R1.172 CC(F)COCc1cnc[nH]1 b632d71bcb0f838086ae2664f11a0f1c [0,1,0,0,0,0|3,0,0]=4 3016 B11R1.172 CC(F)COCc1cocn1 64c54ee5cce38304612997e386318807 [0,1,0,0,0,0|3,0,0]=4 3017 B11R1.172 CC(F)COCc1cscn1 0996bd2d99c6ba4cac3165e5d8081d60 [0,1,0,0,0,0|3,0,0]=4 3018 B11R1.172 CC(F)COCc1ncc[nH]1 3def0e097918c80698007d7f0a7af090 [0,1,0,0,0,0|3,0,0]=4 3019 B11R1.172 CC(F)COCc1ncco1 1cc8ad32765f9ff8b40b65ece9c952d3 [0,1,0,0,0,0|2,1,0]=4 3020 B11R1.172 CC(F)COCc1nccs1 2c095f622a9554bd39c436dee218f265 [0,1,0,0,0,0|2,0,0]=3 3021 B11R1.172 CC(O)CCCN1CC=CC1 0a6f448fc250f2e9eb589a04edc0d4c9 [0,1,0,0,0,0|2,0,1]=4 3022 B11R1.172 CC(O)CCNc1c[nH]cn1 420677d5e03666f5f5886d01fd8d5405 [0,1,0,0,0,0|3,0,0]=4 3023 B11R1.172 CC(O)CCNc1cc[nH]n1 d7a9f1d2c3aeaf296b417bf6f54e1675 [0,1,0,0,0,0|3,0,0]=4 3024 B11R1.172 CC(O)CCNc1cccs1 2be6abdeb25e1a613e3824969dae5a95 [0,1,0,0,0,0|1,0,0]=2 3025 B11R1.172 CC(O)CCNc1ccno1 af79f95f42d3f2cf9e2dbe19ca249fe0 [0,1,0,0,0,0|2,1,0]=4 3026 B11R1.172 CC(O)CCNc1ccns1 011a98c562d94d8d90be6d52576110ad [0,1,0,0,0,0|2,0,0]=3 3027 B11R1.172 CC(O)CCNc1ccoc1 0d5aace06c195fae7236613b1f15760c [0,1,0,0,0,0|3,0,0]=4 3028 B11R1.172 CC(O)CCNc1ccon1 06fc7f4ccf11150481b9f30e5beca1e6 [0,1,0,0,0,0|3,0,0]=4 3029 B11R1.172 CC(O)CCNc1ccsc1 b48c5909989be673f586a9eaa1eb5314 [0,1,0,0,0,0|3,0,0]=4 3030 B11R1.172 CC(O)CCNc1cncs1 1dc23c47d82b82fea980350e4106ce17 [0,1,0,0,0,0|2,0,0]=3 3031 B11R1.172 CC(O)CCNc1cnns1 0c24cf1dd129cefe3f90a804c7f1db33 [0,1,0,0,0,0|3,0,0]=4 3032 B11R1.172 CC(O)CCNc1cocn1 4811f2222d89ffc6f30ac3d23f242013 [0,1,0,0,0,0|3,0,0]=4 3033 B11R1.172 CC(O)CCNc1cscn1 32a553a374a6fff602fb49a2c61b5179 [0,1,0,0,0,0|3,0,0]=4 3034 B11R1.172 CC(O)CCNc1ncc[nH]1 f2a0f5a03c64b7e72688aa5b64efdc18 [0,1,0,0,0,0|3,0,0]=4 3035 B11R1.172 CC(O)CCNc1ncco1 75c6c0c1bbfd1b91cfc8b463b8b7c775 [0,1,0,0,0,0|2,1,0]=4 3036 B11R1.172 CC(O)CCNc1nccs1 91ad6d1f169b3276d89137abe6c743ee [0,1,0,0,0,0|2,0,0]=3 3037 B11R1.172 CC(O)CCNc1ncns1 d40ad270a5877cae37a6a63994ea5d84 [0,1,0,0,0,0|3,0,0]=4 3038 B11R1.172 CC(O)CCNc1nncs1 436cbd1dc7ee2b3eb7bbb59505897182 [0,1,0,0,0,0|3,0,0]=4 3039 B11R1.172 CC(O)CNCc1cc[nH]c1 9f9b0963ff0e2429adb0240f34bc16dd [0,1,0,0,0,0|3,0,0]=4 3040 B11R1.172 CC(O)CNCc1ccc[nH]1 65c95582f301464d7f62eb60cd967e76 [0,1,0,0,0,0|2,0,0]=3 3041 B11R1.172 CC(O)CNCc1ccco1 dba85ac96ca60610e6077e0d05d62bcd [0,1,0,0,0,0|1,1,0]=3 3042 B11R1.172 CC(O)CNCc1cccs1 18715149f7e8e0c045513c4ae4cdb762 [0,1,0,0,0,0|1,0,0]=2 3043 B11R1.172 CC(O)CNCc1ccn[nH]1 cf3542fa3d92422f124614acbc6d6e18 [0,1,0,0,0,0|3,0,0]=4 3044 B11R1.172 CC(O)CNCc1ccno1 ee7152997d429ab71094442ec3281ac6 [0,1,0,0,0,0|2,1,0]=4 3045 B11R1.172 CC(O)CNCc1ccns1 6d8d28833170de944fbac7adca28f67d [0,1,0,0,0,0|2,0,0]=3 3046 B11R1.172 CC(O)CNCc1ccoc1 c05e4a8d2cf400a602ecf2a2d20445f6 [0,1,0,0,0,0|3,0,0]=4 3047 B11R1.172 CC(O)CNCc1ccon1 f160c71ed0f06c6e9149fe34c85b425e [0,1,0,0,0,0|3,0,0]=4 3048 B11R1.172 CC(O)CNCc1ccsc1 578d60fe25eabb7af2d41b2ed5be0bda [0,1,0,0,0,0|3,0,0]=4 3049 B11R1.172 CC(O)CNCc1ccsn1 e3ce28242e3095f5b318fb93b71ce7fb [0,1,0,0,0,0|3,0,0]=4 3050 B11R1.172 CC(O)CNCc1cnc[nH]1 f22ee9d6ad3bae7d570c8e1c8dc40de3 [0,1,0,0,0,0|3,0,0]=4 3051 B11R1.172 CC(O)CNCc1cnco1 e851d7760cd9bd31b38589d96d88412b [0,1,0,0,0,0|2,1,0]=4 3052 B11R1.172 CC(O)CNCc1cncs1 c0bbad873b348319f838983d0dca16e2 [0,1,0,0,0,0|2,0,0]=3 3053 B11R1.172 CC(O)CNCc1cocn1 540d218358fee8bbb7f5b5ad84d4bbb9 [0,1,0,0,0,0|3,0,0]=4 3054 B11R1.172 CC(O)CNCc1cscn1 983fb73c856436dc88022f74b701410d [0,1,0,0,0,0|3,0,0]=4 3055 B11R1.172 CC(O)CNCc1ncc[nH]1 34ba7e9b973cac09823c7c66b2f448cf [0,1,0,0,0,0|3,0,0]=4 3056 B11R1.172 CC(O)CNCc1ncco1 0562076b9ae6905bdb5dfa09c4b727bb [0,1,0,0,0,0|2,1,0]=4 3057 B11R1.172 CC(O)CNCc1nccs1 45366f99c01d0a6bb3edcc30762434ae [0,1,0,0,0,0|2,0,0]=3 3058 B11R1.172 CC(S)COCc1ccco1 64d0adfb42f5538807c786da49eb2388 [0,1,0,0,0,0|1,1,0]=3 3059 B11R1.172 CC(S)COCc1cccs1 d767ed87ab446f6cba115b5caffd9073 [0,1,0,0,0,0|1,0,0]=2 3060 B11R1.172 CC(S)COCc1ccno1 0389b2c7ceac5655f4dc390cb93330e8 [0,1,0,0,0,0|2,1,0]=4 3061 B11R1.172 CC(S)COCc1ccon1 0eda5ac6affd7e5a032332e23382d7eb [0,1,0,0,0,0|3,0,0]=4 3062 B11R1.172 CC(S)COCc1ccsc1 444ab4c19c1694f40c00ba1d864d6f21 [0,1,0,0,0,0|3,0,0]=4 3063 B11R1.172 CC(S)COCc1cnc[nH]1 d392b1c406d0513eb37c3a1bcebebb52 [0,1,0,0,0,0|3,0,0]=4 3064 B11R1.172 CC(S)COCc1cocn1 b0fc9522c59c6db7b135f2b6d32edcd3 [0,1,0,0,0,0|3,0,0]=4 3065 B11R1.172 CC(S)COCc1cscn1 4f3d95e08fe08aeffa2046102a149d60 [0,1,0,0,0,0|3,0,0]=4 3066 B11R1.172 CC(S)COCc1ncc[nH]1 e3b5dd71f9adf4166ce4cac38e197017 [0,1,0,0,0,0|3,0,0]=4 3067 B11R1.172 CC(S)COCc1ncco1 9fb9d360e3ff34cc641550b20da5e1b5 [0,1,0,0,0,0|2,1,0]=4 3068 B11R1.172 CC(S)COCc1nccs1 8b8201deb33831516989bb55c1a7ef39 [0,1,0,0,0,0|2,0,0]=3 3069 B11R1.172 CN(C)CCNc1ccco1 9c4c9a92fc72f7218aa7192da3b54150 [0,1,0,0,0,0|2,1,0]=4 3070 B11R1.172 CN(C)CCNc1cccs1 b3dda5c39622e8e849a416ecc7974b85 [0,1,0,0,0,0|2,0,0]=3 3071 B11R1.172 CN(C)CCNc1ccns1 979ffe9746638dae87bcd9aa8a3b7555 [0,1,0,0,0,0|3,0,0]=4 3072 B11R1.172 CN(C)CCNc1cncs1 89f5c609ed72da6189b28d77471a6991 [0,1,0,0,0,0|3,0,0]=4 3073 B11R1.172 CN(C)CCNc1nccs1 5fefad2c70ec77f98e7730c9c23565c4 [0,1,0,0,0,0|3,0,0]=4 3074 B11R1.172 CN(C)CCOc1ccco1 7522b649958b5b49c4aef79351655606 [0,1,0,0,0,0|2,1,0]=4 3075 B11R1.172 CN(C)CCOc1cccs1 21950004eab0b0dc603b8265e2dadec8 [0,1,0,0,0,0|2,0,0]=3 3076 B11R1.172 CN(C)CCOc1nccs1 f045283bb68492806ba7b443270dbb6c [0,1,0,0,0,0|3,0,0]=4 3077 B11R1.172 CN(C)CNCc1ccc[nH]1 d0057a45106db506452023e252adb86f [0,1,0,0,0,0|3,0,0]=4 3078 B11R1.172 CN(C)CNCc1ccco1 46aa4a5e6d23aa3ba85f84bccf917361 [0,1,0,0,0,0|2,1,0]=4 3079 B11R1.172 CN(C)CNCc1cccs1 b2cae0a2ff103ea65ee46b9a0eb0d352 [0,1,0,0,0,0|2,0,0]=3 3080 B11R1.172 CN(C)CNCc1ccns1 d15ad97d2f391da55f1ac550423c841d [0,1,0,0,0,0|3,0,0]=4 3081 B11R1.172 CN(C)CNCc1nccs1 544ede83663d6d81a2ead024bf905826 [0,1,0,0,0,0|3,0,0]=4 3082 B11R1.172 CN(C)COCc1ccc[nH]1 68520dbaa8d6b807fce04cdd8301363f [0,1,0,0,0,0|3,0,0]=4 3083 B11R1.172 CN(C)COCc1ccco1 df03d7b24780c6fad8a058d77a006c79 [0,1,0,0,0,0|2,1,0]=4 3084 B11R1.172 CN(C)COCc1ccns1 301750400cbe75ec157d437e94c20930 [0,1,0,0,0,0|3,0,0]=4 3085 B11R1.172 CN(C)COCc1nccs1 7eb784b0b11345ab871a0c37b15cb402 [0,1,0,0,0,0|3,0,0]=4 3086 B11R1.172 CS(=O)CCNc1ccco1 b5c41bf9a4c4b4784e62738332f55e27 [0,1,0,0,0,0|2,1,0]=4 3087 B11R1.172 CS(=O)CCNc1cccs1 78823b7fe6cdd8da25e017f2ea6de717 [0,1,0,0,0,0|2,0,0]=3 3088 B11R1.172 CS(=O)CCNc1ccns1 8d66ff53b56539b006047d03a8057002 [0,1,0,0,0,0|3,0,0]=4 3089 B11R1.172 CS(=O)CCNc1cncs1 7c5d11a5a27309f3fa15e45bd4043f9f [0,1,0,0,0,0|3,0,0]=4 3090 B11R1.172 CS(=O)CCNc1nccs1 f72cc466a7f8d1e73875d530ed1610cf [0,1,0,0,0,0|3,0,0]=4 3091 B11R1.172 CS(=O)CCOc1ccco1 ebae9dbe7878c9e08d546f06556993fc [0,1,0,0,0,0|2,1,0]=4 3092 B11R1.172 CS(=O)CCOc1cccs1 9105791bd08007ee4b3b545cf4f4d4b4 [0,1,0,0,0,0|2,0,0]=3 3093 B11R1.172 CS(=O)CCOc1nccs1 22a00d5492c0cfd1ab214406a3f04f59 [0,1,0,0,0,0|3,0,0]=4 3094 B11R1.172 C[C@@H](F)COCc1ccco1 d6b942e64f19e537e65fb887839c99a6 [0,1,0,0,0,0|1,1,0]=3 3095 B11R1.172 C[C@@H](F)COCc1cccs1 39fbb95f05fba443250a39ac0e069ade [0,1,0,0,0,0|1,0,0]=2 3096 B11R1.172 C[C@@H](F)COCc1ccno1 434773d054dbc890d5f56bea6b239add [0,1,0,0,0,0|2,1,0]=4 3097 B11R1.172 C[C@@H](F)COCc1ccon1 2d291c0d3ffe17bbe795594dc011496c [0,1,0,0,0,0|3,0,0]=4 3098 B11R1.172 C[C@@H](F)COCc1ccsc1 9f150012771be753bab76edc1000ed18 [0,1,0,0,0,0|3,0,0]=4 3099 B11R1.172 C[C@@H](F)COCc1cnc[nH]1 4664b800e12a852bcdf16920a8418b35 [0,1,0,0,0,0|3,0,0]=4 3100 B11R1.172 C[C@@H](F)COCc1cocn1 583c337a06bbc808dd52ef92804d706a [0,1,0,0,0,0|3,0,0]=4 3101 B11R1.172 C[C@@H](F)COCc1cscn1 3d9db329e95758e1d76f0cde9d32f85a [0,1,0,0,0,0|3,0,0]=4 3102 B11R1.172 C[C@@H](F)COCc1ncc[nH]1 cf50fd57f9bc317792cbee4b12222031 [0,1,0,0,0,0|3,0,0]=4 3103 B11R1.172 C[C@@H](F)COCc1ncco1 02e16fa5daad205df453af1bc3af671e [0,1,0,0,0,0|2,1,0]=4 3104 B11R1.172 C[C@@H](F)COCc1nccs1 381b58d3561f3a26894cbfdd376ec117 [0,1,0,0,0,0|2,0,0]=3 3105 B11R1.172 C[C@@H](O)CCNc1c[nH]cn1 aa5a03ac4bbb4ba849f275222810d984 [0,1,0,0,0,0|3,0,0]=4 3106 B11R1.172 C[C@@H](O)CCNc1cccs1 4f802c737665298fc909b0e83238e6ea [0,1,0,0,0,0|1,0,0]=2 3107 B11R1.172 C[C@@H](O)CCNc1ccns1 de0edeec712aff617672132008448ed0 [0,1,0,0,0,0|2,0,0]=3 3108 B11R1.172 C[C@@H](O)CCNc1ccoc1 f528c33cfde9ed2040e1fc72eaabddad [0,1,0,0,0,0|3,0,0]=4 3109 B11R1.172 C[C@@H](O)CCNc1ccsc1 6dc915693327cd94d5daa62ba1536867 [0,1,0,0,0,0|3,0,0]=4 3110 B11R1.172 C[C@@H](O)CCNc1cncs1 e5b2012f4943955c3e9bf0cf883c03c0 [0,1,0,0,0,0|2,0,0]=3 3111 B11R1.172 C[C@@H](O)CCNc1ncco1 526ef39734d38458711916f690fcc4eb [0,1,0,0,0,0|2,1,0]=4 3112 B11R1.172 C[C@@H](O)CCNc1nccs1 96789c3b6524b43845f75250fa74517f [0,1,0,0,0,0|2,0,0]=3 3113 B11R1.172 C[C@@H](O)CCNc1ncns1 592378994b53e24b8924cab233250d88 [0,1,0,0,0,0|3,0,0]=4 3114 B11R1.172 C[C@@H](O)CNCc1cc[nH]c1 0e203e4cf1ed106d736b7c5367ffc968 [0,1,0,0,0,0|3,0,0]=4 3115 B11R1.172 C[C@@H](O)CNCc1ccc[nH]1 66008730529aa8d24f63c6ffa76df555 [0,1,0,0,0,0|2,0,0]=3 3116 B11R1.172 C[C@@H](O)CNCc1ccco1 63796111ed16563c371374fd22b9d739 [0,1,0,0,0,0|1,1,0]=3 3117 B11R1.172 C[C@@H](O)CNCc1cccs1 8182a9769f3affdaa5bb920d0c744883 [0,1,0,0,0,0|1,0,0]=2 3118 B11R1.172 C[C@@H](O)CNCc1ccn[nH]1 d3fc556f96ef9cc243257812a08e2599 [0,1,0,0,0,0|3,0,0]=4 3119 B11R1.172 C[C@@H](O)CNCc1ccno1 4c5edf730b598d39a0d4b8d048dcfc5e [0,1,0,0,0,0|2,1,0]=4 3120 B11R1.172 C[C@@H](O)CNCc1ccns1 64c67327cb4dea803f05390b01504896 [0,1,0,0,0,0|2,0,0]=3 3121 B11R1.172 C[C@@H](O)CNCc1ccon1 de0770c6e395e48ec49015f6c2faefa5 [0,1,0,0,0,0|3,0,0]=4 3122 B11R1.172 C[C@@H](O)CNCc1ccsc1 8364c0a011f7ef78e915fb7db6b3ce9a [0,1,0,0,0,0|3,0,0]=4 3123 B11R1.172 C[C@@H](O)CNCc1ccsn1 564b3dbb339bd2343e35fffd3dc287eb [0,1,0,0,0,0|3,0,0]=4 3124 B11R1.172 C[C@@H](O)CNCc1cnc[nH]1 d25efe4e3b89b4c76358e0b63a45f106 [0,1,0,0,0,0|3,0,0]=4 3125 B11R1.172 C[C@@H](O)CNCc1cnco1 79694a63bc40490b59699b70b39d83b0 [0,1,0,0,0,0|2,1,0]=4 3126 B11R1.172 C[C@@H](O)CNCc1cocn1 ff71dd68cfd9a9552261ea8cc0a9bac1 [0,1,0,0,0,0|3,0,0]=4 3127 B11R1.172 C[C@@H](O)CNCc1cscn1 a11fbdc0d638a611d7546fc3884fea8d [0,1,0,0,0,0|3,0,0]=4 3128 B11R1.172 C[C@@H](O)CNCc1ncc[nH]1 278deaaec15ac3c629be2d2fb48c3111 [0,1,0,0,0,0|3,0,0]=4 3129 B11R1.172 C[C@@H](O)CNCc1ncco1 ea80babeca0e0c2328d044882241967c [0,1,0,0,0,0|2,1,0]=4 3130 B11R1.172 C[C@@H](O)CNCc1nccs1 f6fe197cea0fb8f8e6829de2246e827b [0,1,0,0,0,0|2,0,0]=3 3131 B11R1.172 C[C@H](F)COCc1ccco1 fbf7bd3431d8f8c5f513c23259a8679a [0,1,0,0,0,0|1,1,0]=3 3132 B11R1.172 C[C@H](F)COCc1cccs1 a5ac52ecaa06dd8381bf8a23ee830366 [0,1,0,0,0,0|1,0,0]=2 3133 B11R1.172 C[C@H](F)COCc1ccno1 8da00859c0911312d34476129ed13674 [0,1,0,0,0,0|2,1,0]=4 3134 B11R1.172 C[C@H](F)COCc1ccon1 5cee93b2c3091dabd6bb1d30c8eb7470 [0,1,0,0,0,0|3,0,0]=4 3135 B11R1.172 C[C@H](F)COCc1ccsc1 78c5bfeb085bc53c291a77ec64a5637c [0,1,0,0,0,0|3,0,0]=4 3136 B11R1.172 C[C@H](F)COCc1cnc[nH]1 16f183d78e22297a49669ef0d5d5c0cd [0,1,0,0,0,0|3,0,0]=4 3137 B11R1.172 C[C@H](F)COCc1cocn1 d2a87f04b31dc0cd71b5c4b44f381f76 [0,1,0,0,0,0|3,0,0]=4 3138 B11R1.172 C[C@H](F)COCc1cscn1 f81d0b3c085a717166260b1b07c8aaab [0,1,0,0,0,0|3,0,0]=4 3139 B11R1.172 C[C@H](F)COCc1ncc[nH]1 c1c38a6fd87aebc1d9874c4776f58e62 [0,1,0,0,0,0|3,0,0]=4 3140 B11R1.172 C[C@H](F)COCc1ncco1 fab287dfcf2bff821b220f823828cdba [0,1,0,0,0,0|2,1,0]=4 3141 B11R1.172 C[C@H](F)COCc1nccs1 d44653db091fbb3c3452f2bbba4de085 [0,1,0,0,0,0|2,0,0]=3 3142 B11R1.172 C[C@H](O)CCNc1c[nH]cn1 4b2cf3b78b6c5abfe10eb6cc1cd44283 [0,1,0,0,0,0|3,0,0]=4 3143 B11R1.172 C[C@H](O)CCNc1cccs1 3016d239b47ebdea25cc9af11da7d6d7 [0,1,0,0,0,0|1,0,0]=2 3144 B11R1.172 C[C@H](O)CCNc1ccns1 6f8532b81717b2629803fcfbb4186507 [0,1,0,0,0,0|2,0,0]=3 3145 B11R1.172 C[C@H](O)CCNc1ccoc1 a8dc0afe0ca1e4ba9281aaecb84be944 [0,1,0,0,0,0|3,0,0]=4 3146 B11R1.172 C[C@H](O)CCNc1ccsc1 c012236e140f600d6a72c1c916e439a7 [0,1,0,0,0,0|3,0,0]=4 3147 B11R1.172 C[C@H](O)CCNc1cncs1 75ffdf0879a100b400288608a9b67239 [0,1,0,0,0,0|2,0,0]=3 3148 B11R1.172 C[C@H](O)CCNc1ncco1 709c6b7cefae01bfa99646d96c43c28e [0,1,0,0,0,0|2,1,0]=4 3149 B11R1.172 C[C@H](O)CCNc1nccs1 1d017e8a98a57b9569affdc1e78de7b6 [0,1,0,0,0,0|2,0,0]=3 3150 B11R1.172 C[C@H](O)CCNc1ncns1 4581abed5141c70534f77a8d90d084a8 [0,1,0,0,0,0|3,0,0]=4 3151 B11R1.172 C[C@H](O)CNCc1cc[nH]c1 ef1e595646e0c92a9a0a3d806106769d [0,1,0,0,0,0|3,0,0]=4 3152 B11R1.172 C[C@H](O)CNCc1ccc[nH]1 616d8946b697237869f21f091970eb52 [0,1,0,0,0,0|2,0,0]=3 3153 B11R1.172 C[C@H](O)CNCc1ccco1 14b70b5b444307109cbe8cf07983b605 [0,1,0,0,0,0|1,1,0]=3 3154 B11R1.172 C[C@H](O)CNCc1cccs1 e5211f0f37be1102ed21362e3ecf1a4a [0,1,0,0,0,0|1,0,0]=2 3155 B11R1.172 C[C@H](O)CNCc1ccn[nH]1 5d261344fb479bbc1d5bdb453306bce2 [0,1,0,0,0,0|3,0,0]=4 3156 B11R1.172 C[C@H](O)CNCc1ccno1 dc4baacaafc63e9e99cb99bc4d2ab16f [0,1,0,0,0,0|2,1,0]=4 3157 B11R1.172 C[C@H](O)CNCc1ccns1 894a267b2c1f117361171402e457f116 [0,1,0,0,0,0|2,0,0]=3 3158 B11R1.172 C[C@H](O)CNCc1ccoc1 0067a311d9970e551754a6d67d461fe2 [0,1,0,0,0,0|3,0,0]=4 3159 B11R1.172 C[C@H](O)CNCc1ccon1 465cb70d021593e2c3bb9e5ad10d5022 [0,1,0,0,0,0|3,0,0]=4 3160 B11R1.172 C[C@H](O)CNCc1ccsc1 e805f7552cfc98b120bc98413fb119ef [0,1,0,0,0,0|3,0,0]=4 3161 B11R1.172 C[C@H](O)CNCc1ccsn1 3cdea06940c7aee6550f289c42f245ab [0,1,0,0,0,0|3,0,0]=4 3162 B11R1.172 C[C@H](O)CNCc1cnc[nH]1 f6149e109039737126a2b3c4f9ba9c8c [0,1,0,0,0,0|3,0,0]=4 3163 B11R1.172 C[C@H](O)CNCc1cnco1 2c368f33904154effa042cef0fabed95 [0,1,0,0,0,0|2,1,0]=4 3164 B11R1.172 C[C@H](O)CNCc1cncs1 63eb3f565a77df05a17cf12d1e89604a [0,1,0,0,0,0|2,0,0]=3 3165 B11R1.172 C[C@H](O)CNCc1cocn1 7fbe50fa95887426e3b98286485eae3e [0,1,0,0,0,0|3,0,0]=4 3166 B11R1.172 C[C@H](O)CNCc1cscn1 b22d1deab7bf852cc79666a4562bcce1 [0,1,0,0,0,0|3,0,0]=4 3167 B11R1.172 C[C@H](O)CNCc1ncc[nH]1 ecf8c318c48ac227f15317df965f66ff [0,1,0,0,0,0|3,0,0]=4 3168 B11R1.172 C[C@H](O)CNCc1ncco1 fbb74fa32e6d68573209d9115a2dda3c [0,1,0,0,0,0|2,1,0]=4 3169 B11R1.172 C[C@H](O)CNCc1nccs1 ef57830e1bffdb68139221eea5006002 [0,1,0,0,0,0|2,0,0]=3 3170 B11R1.172 FC(F)CCNc1ccco1 60d42532f681cd400c369f9801d8acef [0,1,0,0,0,0|2,1,0]=4 3171 B11R1.172 FC(F)CCNc1cccs1 82b19d2d96ba75438b00e144aadefbb6 [0,1,0,0,0,0|2,0,0]=3 3172 B11R1.172 FC(F)CCNc1ccns1 78041c045d60f4757c1eb5937f2e5b9a [0,1,0,0,0,0|3,0,0]=4 3173 B11R1.172 FC(F)CCNc1cncs1 fbae1a8e546ee0c4827af5a2df43ca6a [0,1,0,0,0,0|3,0,0]=4 3174 B11R1.172 FC(F)CCNc1nccs1 c945fd53d5b91ee44e6bef84e4f532c8 [0,1,0,0,0,0|3,0,0]=4 3175 B11R1.172 FC(F)CNCc1ccc[nH]1 9493b2ea766942628a8bdbb6a4a0f35e [0,1,0,0,0,0|3,0,0]=4 3176 B11R1.172 FC(F)CNCc1ccco1 a8688361bfc0fe378998318ab561baa5 [0,1,0,0,0,0|2,1,0]=4 3177 B11R1.172 FC(F)CNCc1cccs1 425b8d9ba3f559fae297a4833ca1d93f [0,1,0,0,0,0|2,0,0]=3 3178 B11R1.172 FC(F)CNCc1ccns1 bdb0824985560bceac7d8512c00772b1 [0,1,0,0,0,0|3,0,0]=4 3179 B11R1.172 FC(F)CNCc1cncs1 c9a534921ed899a3b01e7b25187bed9d [0,1,0,0,0,0|3,0,0]=4 3180 B11R1.172 FC(F)CNCc1nccs1 36abaa63c66dee4daeed0fc0e8c30552 [0,1,0,0,0,0|3,0,0]=4 3181 B11R1.172 FC(F)COCc1ccc[nH]1 cd51e25360abf5ec67fd55d7801119e6 [0,1,0,0,0,0|3,0,0]=4 3182 B11R1.172 FC(F)COCc1ccco1 b8dfda2c998592b7be5d95e4bbd963c9 [0,1,0,0,0,0|2,1,0]=4 3183 B11R1.172 FC(F)COCc1cccs1 52ccca310d5568702fb1eb4c8f763a1f [0,1,0,0,0,0|2,0,0]=3 3184 B11R1.172 FC(F)COCc1ccns1 edfb79b2489da69eedb755e0b03c14d5 [0,1,0,0,0,0|3,0,0]=4 3185 B11R1.172 FC(F)COCc1cncs1 3deb237ed06f184f437b461e9b50bff1 [0,1,0,0,0,0|3,0,0]=4 3186 B11R1.172 FC(F)COCc1nccs1 7e6d9ba852dc3d7c20aa48a000e2c175 [0,1,0,0,0,0|3,0,0]=4 3187 B11R1.172 NC(=O)CCNc1cccs1 4c3df2dedde37ddbd71ba489063312db [0,1,0,0,0,0|2,0,1]=4 3188 B11R1.172 NC(=O)CCOc1cccs1 abb566272552117d2cc0a0d6c3db031e [0,1,0,0,0,0|2,0,1]=4 3189 B11R1.172 NC(=O)CNCc1cccs1 ff189ba2aaf7a428fabbec9788965050 [0,1,0,0,0,0|2,0,1]=4 3190 B11R1.172 NC(=O)COCc1cccs1 82a49a500242b4259e12addce264b1e6 [0,1,0,0,0,0|2,0,1]=4 3191 B11R1.172 NC(=S)CCNc1cccs1 f2c9fc562bf6796690139e848f6bd62c [0,1,0,0,0,0|2,0,1]=4 3192 B11R1.172 NC(=S)COCc1cccs1 b5b31ef52aa2c2049a3e526885fa2c47 [0,1,0,0,0,0|2,0,1]=4 3193 B11R1.172 O=C(O)CCNc1cccs1 ce94cb2d46b17a86ed1a73ac7890105f [0,1,0,0,0,0|2,0,1]=4 3194 B11R1.172 O=C(O)CNCc1cccs1 6589353daf6c6878fe13fe1bd5a05a32 [0,1,0,0,0,0|2,0,1]=4 3195 B11R1.172 O=C(O)COCc1cccs1 956edf8e319dd4bdec98a4daef429110 [0,1,0,0,0,0|2,0,1]=4 3196 B11R1.172 O=S(O)CCNc1cccs1 bd6ce401bf4307fdfc4e602bfd6a30b3 [0,1,0,0,0,0|3,0,0]=4 3197 B11R1.172 O=S(O)COCc1cccs1 a7cca5f06e3cbbce2bc27f06f06acdaa [0,1,0,0,0,0|3,0,0]=4 3198 B11R1.172 O=[N+]([O-])CNCc1cccs1 41c3095aaa811709b8da038abe11487c [0,1,0,0,0,0|3,0,0]=4 3199 B11R1.172 O=[N+]([O-])COCc1cccs1 a051c5c7ce8b7a6ed0168d08bbbf2def [0,1,0,0,0,0|3,0,0]=4 3200 B11R1.180 C#CCNCc1sccc1Br 0d69a81e38b8abbaf175afe8b1938828 [0,1,0,0,0,0|1,0,2]=4 3201 B11R1.180 C#CCNCc1sccc1Cl 87bb38fa18cbc5583e7bb25b91806bc1 [0,1,0,0,0,0|1,0,2]=4 3202 B11R1.180 C#CCNCc1sccc1F 2c6a5db369fdf34c59e1f68b14c25ce3 [0,1,0,0,0,0|1,0,2]=4 3203 B11R1.180 C#CCOCc1sccc1C ac17bb7aeae6409cf13914e436abf624 [0,1,0,0,0,0|1,0,2]=4 3204 B11R1.180 C#CCOCc1sccc1Cl 1a39597d3b8e66247458e382e01fadc6 [0,1,0,0,0,0|1,0,2]=4 3205 B11R1.180 C#CCOCc1sccc1F c0a68d100dfd8f217754c00b0f3fd5a3 [0,1,0,0,0,0|1,0,2]=4 3206 B11R1.180 C=CCCNc1sccc1C 60cd6bb62f80a22c03ade9a45d3c133e [0,1,0,0,0,0|1,0,2]=4 3207 B11R1.180 C=CCNCc1sccc1Br 41ad5fc294a593213f4d88dc512f1c51 [0,1,0,0,0,0|1,0,2]=4 3208 B11R1.180 C=CCNCc1sccc1Cl 4026c88ca4f1489da14e58a1e7433a83 [0,1,0,0,0,0|1,0,2]=4 3209 B11R1.180 C=CCNCc1sccc1F 67704a1d7edc465a1e8c9865cbb00087 [0,1,0,0,0,0|1,0,2]=4 3210 B11R1.180 C=CCOCc1sccc1Br 3865236ef981167c40c60012926a12f3 [0,1,0,0,0,0|1,0,2]=4 3211 B11R1.180 C=CCOCc1sccc1C e409e193949dce014878901936af5cc9 [0,1,0,0,0,0|1,0,2]=4 3212 B11R1.180 C=CCOCc1sccc1Cl c6f52de0a927884f24dead54abf2c225 [0,1,0,0,0,0|1,0,2]=4 3213 B11R1.180 C=CCOCc1sccc1F cbe34135e16ad0265be33054382397ee [0,1,0,0,0,0|1,0,2]=4 3214 B11R1.180 CC=CCNc1sccc1C 8918178342dfb0af4cb3f1b7abf4c92b [0,1,0,0,0,0|1,0,2]=4 3215 B11R1.180 CCCCNc1[nH]ncc1F 0406b6a6998bd71cc4d9ec30accd4fcc [0,1,0,0,0,0|3,0,0]=4 3216 B11R1.180 CCCCNc1cccn1C 832204d8dcb1af64b9a1e1bacf002b6c [0,1,0,0,0,0|2,0,0]=3 3217 B11R1.180 CCCCNc1ccnn1C a3196577538969e3bb6f52df20715e6e [0,1,0,0,0,0|3,0,0]=4 3218 B11R1.180 CCCCNc1ccsc1C 4b33baa6cbbf646d868e98b53b0470a5 [0,1,0,0,0,0|3,0,0]=4 3219 B11R1.180 CCCCNc1cncn1C 13ad02cfdf6376178b05959259078873 [0,1,0,0,0,0|3,0,0]=4 3220 B11R1.180 CCCCNc1cscc1Br ec7f629755af23129396169843dd531f [0,1,0,0,0,0|3,0,0]=4 3221 B11R1.180 CCCCNc1cscc1C 5c336951b5fdc8b35a2bf4f94bff34c9 [0,1,0,0,0,0|3,0,0]=4 3222 B11R1.180 CCCCNc1n[nH]cc1Br 8e1d83e00bcbbb803fa61598ed322504 [0,1,0,0,0,0|3,0,0]=4 3223 B11R1.180 CCCCNc1n[nH]cc1C 576addfcace468a227274697942402b6 [0,1,0,0,0,0|3,0,0]=4 3224 B11R1.180 CCCCNc1n[nH]cc1Cl 409e93c97ffa229d9cc1f8db9162396b [0,1,0,0,0,0|3,0,0]=4 3225 B11R1.180 CCCCNc1n[nH]cc1I ef38ed2588e51a02f8c8fdd6df70466d [0,1,0,0,0,0|3,0,0]=4 3226 B11R1.180 CCCCNc1n[nH]cc1N 05fe434bc868a1dfdbff1351bab6318b [0,1,0,0,0,0|3,0,0]=4 3227 B11R1.180 CCCCNc1nc[nH]c1C e43fb204ee6be9b704d66c54c6556238 [0,1,0,0,0,0|3,0,0]=4 3228 B11R1.180 CCCCNc1nccn1C 9aad54ba403509b00b3692db48a392e1 [0,1,0,0,0,0|3,0,0]=4 3229 B11R1.180 CCCCNc1ncsc1Br 7f405bcdbaf8c3b8dcf52eea4c31c571 [0,1,0,0,0,0|3,0,0]=4 3230 B11R1.180 CCCCNc1nocc1Br f297a964f4121c3e3fac2d5524bc3c5b [0,1,0,0,0,0|3,0,0]=4 3231 B11R1.180 CCCCNc1nocc1C 065ab1e17090326b3c85284219b76705 [0,1,0,0,0,0|3,0,0]=4 3232 B11R1.180 CCCCNc1nocc1Cl 44ee7ec2e6485e04ba51ae487f687011 [0,1,0,0,0,0|3,0,0]=4 3233 B11R1.180 CCCCNc1oncc1C 2544a8b8d9fe1bda4bc6d4d01e3e0b5f [0,1,0,0,0,0|2,1,0]=4 3234 B11R1.180 CCCCNc1sccc1C b5489a4a5937f782ef16c288eda79112 [0,1,0,0,0,0|1,0,0]=2 3235 B11R1.180 CCCCNc1scnc1C a953d1ca90e919ae12ebf72c94309d02 [0,1,0,0,0,0|2,0,0]=3 3236 B11R1.180 CCCCOc1cccn1C 3d38f62a78a4cbc2c835f47b4346f2ef [0,1,0,0,0,0|2,0,0]=3 3237 B11R1.180 CCCCOc1ccnn1C f4545c004733ab5578cd758bc8b4794e [0,1,0,0,0,0|3,0,0]=4 3238 B11R1.180 CCCCOc1n[nH]cc1C d551e90f05828ee4d91f21c89b6873b8 [0,1,0,0,0,0|3,0,0]=4 3239 B11R1.180 CCCCOc1nocc1Br cbadb420499f590ec85174555cc5232e [0,1,0,0,0,0|3,0,0]=4 3240 B11R1.180 CCCNCc1cccn1C 03b7e0880aeb897b9c2d7fe9e6746740 [0,1,0,0,0,0|2,0,0]=3 3241 B11R1.180 CCCNCc1ccnn1C 02a04c17cdfae46dbf2999b505a6577e [0,1,0,0,0,0|3,0,0]=4 3242 B11R1.180 CCCNCc1ccoc1C 9b7aca05722c487e12991f3dd96e11a5 [0,1,0,0,0,0|3,0,0]=4 3243 B11R1.180 CCCNCc1ccsc1Br d092f3e072c3bd8ab8f486594492dbe0 [0,1,0,0,0,0|3,0,0]=4 3244 B11R1.180 CCCNCc1ccsc1Cl c8e070f7ec2a3db227d0b6fffeb2259d [0,1,0,0,0,0|3,0,0]=4 3245 B11R1.180 CCCNCc1cscc1Br 4cf8c2a9a4ae8c4f4d053b97947a6837 [0,1,0,0,0,0|3,0,0]=4 3246 B11R1.180 CCCNCc1nc[nH]c1C b4ee81087d6d861bb39eaf8e0b9fec16 [0,1,0,0,0,0|3,0,0]=4 3247 B11R1.180 CCCNCc1nccn1C 4479098bc245238d7dc7535061a654ad [0,1,0,0,0,0|3,0,0]=4 3248 B11R1.180 CCCNCc1ncoc1C 6d29ef65f19496e8aed372eb2d4a8834 [0,1,0,0,0,0|3,0,0]=4 3249 B11R1.180 CCCNCc1nocc1Br 742b4fc167536d1faf64f3cf06e68473 [0,1,0,0,0,0|3,0,0]=4 3250 B11R1.180 CCCNCc1nocc1C c7015796bee0a1e2a0234421490ebf3e [0,1,0,0,0,0|3,0,0]=4 3251 B11R1.180 CCCNCc1occc1C 297d9026c2421572c3fef990f3888ecd [0,1,0,0,0,0|1,1,0]=3 3252 B11R1.180 CCCNCc1sccc1Cl 52290cafa348a35fa89f82103244f875 [0,1,0,0,0,0|1,0,0]=2 3253 B11R1.180 CCCNCc1sccc1F 76b49f5e835c9d92fa7b1908f5dfcb84 [0,1,0,0,0,0|1,0,0]=2 3254 B11R1.180 CCCNCc1scnc1Br f5fbe32ffc88dc86a65566d0393daa71 [0,1,0,0,0,0|2,0,0]=3 3255 B11R1.180 CCCNCc1scnc1C c2523451deed12d729c1b04cfc7b37a1 [0,1,0,0,0,0|2,0,0]=3 3256 B11R1.180 CCCNCc1scnc1Cl cf7a72306a74ffe75a19fed66d25fe86 [0,1,0,0,0,0|2,0,0]=3 3257 B11R1.180 CCCNCc1snnc1C ed92e46a765f1fea0ecc055657426c9b [0,1,0,0,0,0|3,0,0]=4 3258 B11R1.180 CCCOCc1[nH]ncc1Br 7bd7dde57a6d348f11af642fc3ee1cd3 [0,1,0,0,0,0|3,0,0]=4 3259 B11R1.180 CCCOCc1cccn1C 3f039c6ca2029fab4442f6776b28e5ad [0,1,0,0,0,0|2,0,0]=3 3260 B11R1.180 CCCOCc1ccnn1C 056491d84ce79051af505f30b7e0efdf [0,1,0,0,0,0|3,0,0]=4 3261 B11R1.180 CCCOCc1ccoc1C b1737bdc651811f3eec4c295512263cc [0,1,0,0,0,0|3,0,0]=4 3262 B11R1.180 CCCOCc1ccsc1Br 985f21b203d9feec00e11ab57362f21f [0,1,0,0,0,0|3,0,0]=4 3263 B11R1.180 CCCOCc1ccsc1Cl 9dca3ad0cb6ff71b2def9c016a36a893 [0,1,0,0,0,0|3,0,0]=4 3264 B11R1.180 CCCOCc1cncn1C 87d1af8954404adbfbd09bddba19642c [0,1,0,0,0,0|3,0,0]=4 3265 B11R1.180 CCCOCc1cscc1Br 87be15136ba1e6d5f2715e4b3aa7a154 [0,1,0,0,0,0|3,0,0]=4 3266 B11R1.180 CCCOCc1cscc1C 0f70923c664481648ce69b60291255fb [0,1,0,0,0,0|3,0,0]=4 3267 B11R1.180 CCCOCc1n[nH]cc1C 469c820b236225663207dbaa02fe3824 [0,1,0,0,0,0|3,0,0]=4 3268 B11R1.180 CCCOCc1nc[nH]c1C 85b1c42f98bee0f5c3b0b32c335c2ac6 [0,1,0,0,0,0|3,0,0]=4 3269 B11R1.180 CCCOCc1nccn1C 831aca6c043a8623af8ff182c95ad1bb [0,1,0,0,0,0|3,0,0]=4 3270 B11R1.180 CCCOCc1ncoc1C 8aa4d87f3069c06b031eec5ba6b30f14 [0,1,0,0,0,0|3,0,0]=4 3271 B11R1.180 CCCOCc1ncsc1C acc9fcff4d686116621f10969b0f707e [0,1,0,0,0,0|3,0,0]=4 3272 B11R1.180 CCCOCc1nocc1Br 76393566b6bdb7223e459730ab01dfec [0,1,0,0,0,0|3,0,0]=4 3273 B11R1.180 CCCOCc1occc1Br 1779a7ddf8d77a2508c40f71cd8fc904 [0,1,0,0,0,0|1,1,0]=3 3274 B11R1.180 CCCOCc1occc1C 41560230818bf69c71c16c988d078fb0 [0,1,0,0,0,0|1,1,0]=3 3275 B11R1.180 CCCOCc1ocnc1C 218849497850e36b842606f5c4cde9c9 [0,1,0,0,0,0|2,1,0]=4 3276 B11R1.180 CCCOCc1oncc1C 029153042f76b55ba35a320678f4d65c [0,1,0,0,0,0|2,1,0]=4 3277 B11R1.180 CCCOCc1sccc1C f1db515b4bc7ba1569929001c68c4beb [0,1,0,0,0,0|1,0,0]=2 3278 B11R1.180 CCCOCc1sccc1Cl 9369e937fdfc0c62e125fe9845877ec8 [0,1,0,0,0,0|1,0,0]=2 3279 B11R1.180 CCCOCc1sccc1F 934b573ad8d684c5de9c7979cee21a04 [0,1,0,0,0,0|1,0,0]=2 3280 B11R1.180 CCCOCc1scnc1Br 5a3b07a99480bbdb1787a6146acbc076 [0,1,0,0,0,0|2,0,0]=3 3281 B11R1.180 CCCOCc1scnc1C 0f93c70fa6bce92185614499be1b9f8e [0,1,0,0,0,0|2,0,0]=3 3282 B11R1.180 CCCOCc1scnc1Cl 999d979003c9e0c20c887c0776505183 [0,1,0,0,0,0|2,0,0]=3 3283 B11R1.180 CCCOCc1sncc1Br e981b310fb36b52328cab80eb90df5e6 [0,1,0,0,0,0|2,0,0]=3 3284 B11R1.180 CCCOCc1snnc1C e42b334f3d6cc0f1c6a78ac33bad1cfd [0,1,0,0,0,0|3,0,0]=4 3285 B11R1.180 CCNCCc1cccn1C d1e7ad57dcb275b0808266493147da16 [0,1,0,0,0,0|2,0,0]=3 3286 B11R1.180 CCNCCc1ccnn1C 46dda163c07cd6b0ea4926f2bf4835eb [0,1,0,0,0,0|3,0,0]=4 3287 B11R1.180 CCNCCc1nccn1C 4b537936d3c0d5eff5e6e8155e19dea8 [0,1,0,0,0,0|3,0,0]=4 3288 B11R1.180 CCNCCc1sccc1C e5d25d38d1fd0f601f4e275056cd9808 [0,1,0,0,0,0|1,0,0]=2 3289 B11R1.180 CCNCCc1scnc1C 7e0301501f7a99da68aba2c0ba99f639 [0,1,0,0,0,0|2,0,0]=3 3290 B11R1.180 CCOCCc1cccn1C dda7e85aa0dab40e84f600f0563a4e9a [0,1,0,0,0,0|2,0,0]=3 3291 B11R1.180 CCOCCc1cncn1C 5cdf047d8ea2e6ea10cf8f40635cb425 [0,1,0,0,0,0|3,0,0]=4 3292 B11R1.180 CCOCCc1nccn1C 02b9637cbe3cd1b39c70cc9a39f6793e [0,1,0,0,0,0|3,0,0]=4 3293 B11R1.180 CCOCCc1ncsc1C 7967d2d240fa0f0a1e9238e41e3edf4f [0,1,0,0,0,0|3,0,0]=4 3294 B11R1.180 CCOCCc1scnc1C cf10344eb1014692cafbbc7c6d57ba00 [0,1,0,0,0,0|2,0,0]=3 3295 B11R1.180 CCOCNc1scnc1C 31e3d8d948eec3e9c061412b426a878c [0,1,0,0,0,0|3,0,0]=4 3296 B11R1.180 CCOCOc1cccn1C c217b84a254190ab40bc9dd1cd56d4c5 [0,1,0,0,0,0|3,0,0]=4 3297 B11R1.180 COCCNc1cccn1C 079e210dec5c68df4b93df6271363005 [0,1,0,0,0,0|3,0,0]=4 3298 B11R1.180 COCCNc1sccc1C 2ae4735b0410f8899b62616c813bdf46 [0,1,0,0,0,0|2,0,0]=3 3299 B11R1.180 COCCNc1scnc1C f52df40ec9eef1424c00e5b1db21c1c9 [0,1,0,0,0,0|3,0,0]=4 3300 B11R1.180 COCCNc1sncc1C 28c791bec01eb66dab7e651aaf4ea754 [0,1,0,0,0,0|3,0,0]=4 3301 B11R1.180 COCCOc1cccn1C ed3a0ff9e5281c9e2a7edda9d0d2aa5a [0,1,0,0,0,0|3,0,0]=4 3302 B11R1.180 COCNCc1cccn1C d1e796eea62a157a426a7fbb0a2e1e36 [0,1,0,0,0,0|3,0,0]=4 3303 B11R1.180 COCNCc1occc1C 92fa3d300208039b2e73f6268b72eab6 [0,1,0,0,0,0|2,1,0]=4 3304 B11R1.180 COCNCc1sccc1Br 7c2d11ffb5ce3e9532a1661c7547fae8 [0,1,0,0,0,0|2,0,0]=3 3305 B11R1.180 COCNCc1sccc1Cl 0c00268cd5242da162fc5ad9da6fd766 [0,1,0,0,0,0|2,0,0]=3 3306 B11R1.180 COCNCc1sccc1F ddbd6c01574c33c530d72cd21eded9e7 [0,1,0,0,0,0|2,0,0]=3 3307 B11R1.180 COCNCc1scnc1Br 17b61d3ee6ede5cea737e5350eca7c20 [0,1,0,0,0,0|3,0,0]=4 3308 B11R1.180 COCNCc1scnc1C b2058a3696cbae342a1f4f1f85120406 [0,1,0,0,0,0|3,0,0]=4 3309 B11R1.180 COCOCc1cccn1C cd33c0f36e587d2997c938f9762c2d99 [0,1,0,0,0,0|3,0,0]=4 3310 B11R1.180 COCOCc1occc1Br 6352cf91313e58e32c4ecf1d3228b287 [0,1,0,0,0,0|2,1,0]=4 3311 B11R1.180 COCOCc1occc1C da83e7b159f8df93d85773fceab7af85 [0,1,0,0,0,0|2,1,0]=4 3312 B11R1.180 COCOCc1sccc1C 56a7ba85449ec3ddb0b50e395185a7d9 [0,1,0,0,0,0|2,0,0]=3 3313 B11R1.180 COCOCc1sccc1Cl ceed74a291bb2e735ec412bbc8a9e70b [0,1,0,0,0,0|2,0,0]=3 3314 B11R1.180 COCOCc1sccc1F b280851c871d43461aa59dda4d910fed [0,1,0,0,0,0|2,0,0]=3 3315 B11R1.180 COCOCc1scnc1Br 62758d4b9456cfbe0e069fdfccc41c5a [0,1,0,0,0,0|3,0,0]=4 3316 B11R1.180 COCOCc1scnc1C 8d606a1dcda285b3761d860ebc393793 [0,1,0,0,0,0|3,0,0]=4 3317 B11R1.180 COCOCc1scnc1Cl 9b5db3d4e2aef773764390b53b30cc27 [0,1,0,0,0,0|3,0,0]=4 3318 B11R1.180 COCOCc1sncc1Br 067a3cc857029604818c8a0e82177df4 [0,1,0,0,0,0|3,0,0]=4 3319 B11R1.180 CSCCNc1scnc1C 7a30d8e3885eb993a8bf9b4c177f5bad [0,1,0,0,0,0|3,0,0]=4 3320 B11R1.180 CSCCOc1cccn1C b1ab368e4037b7d772811043c56203dc [0,1,0,0,0,0|3,0,0]=4 3321 B11R1.180 CSCNCc1cccn1C 0c8ba811da9b07ff7e675b13799220af [0,1,0,0,0,0|3,0,0]=4 3322 B11R1.180 CSCNCc1occc1C 21f63228ef3934868bf93ce130bb8331 [0,1,0,0,0,0|2,1,0]=4 3323 B11R1.180 CSCNCc1sccc1Cl 4dc30678c201d9c14750717687fb1dd8 [0,1,0,0,0,0|2,0,0]=3 3324 B11R1.180 CSCNCc1sccc1F 02a1621121fb02a6555e7437830ace86 [0,1,0,0,0,0|2,0,0]=3 3325 B11R1.180 CSCNCc1scnc1Br 498da82d9046a99074568078b748e31e [0,1,0,0,0,0|3,0,0]=4 3326 B11R1.180 CSCNCc1scnc1C 493cbf637123a1a702e2b974f4762632 [0,1,0,0,0,0|3,0,0]=4 3327 B11R1.180 CSCOCc1cccn1C dee75e91b90aec50ad517aa7654bb1ef [0,1,0,0,0,0|3,0,0]=4 3328 B11R1.180 CSCOCc1occc1Br 2b96f67a33471b429da1928e06c63cc9 [0,1,0,0,0,0|2,1,0]=4 3329 B11R1.180 CSCOCc1occc1C 1cfad62252bfbf737ec5239a10813f25 [0,1,0,0,0,0|2,1,0]=4 3330 B11R1.180 CSCOCc1sccc1C cd32dc53b254ad85b9d855d05d1a277d [0,1,0,0,0,0|2,0,0]=3 3331 B11R1.180 CSCOCc1sccc1Cl 9ff97110381419ba6e4a7d7e2150b643 [0,1,0,0,0,0|2,0,0]=3 3332 B11R1.180 CSCOCc1sccc1F b02454629267b58813b7bcf31eaec59d [0,1,0,0,0,0|2,0,0]=3 3333 B11R1.180 CSCOCc1scnc1Br c4d677b78fb37a3c43e6f3313f298910 [0,1,0,0,0,0|3,0,0]=4 3334 B11R1.180 CSCOCc1scnc1C 6182e85dd04e1073d9303e3832b2dd44 [0,1,0,0,0,0|3,0,0]=4 3335 B11R1.180 CSCOCc1scnc1Cl ecbd82252c1a59c1bcb9d56e5dff3bff [0,1,0,0,0,0|3,0,0]=4 3336 B11R1.180 Cc1ccoc1CNCCF 5aa9fc02f59e7cfaa6abf691e240d423 [0,1,0,0,0,0|2,1,0]=4 3337 B11R1.180 Cc1ccoc1CNCCO 1ff4153120961ed0729996cf1352ee31 [0,1,0,0,0,0|2,1,0]=4 3338 B11R1.180 Cc1ccoc1CNCCS 5e8254df99f491198bd01fff44a0b866 [0,1,0,0,0,0|2,1,0]=4 3339 B11R1.180 Cc1ccoc1COCCF 31d483e87080af9794b4167725d9e469 [0,1,0,0,0,0|2,1,0]=4 3340 B11R1.180 Cc1ccoc1COCCS 67761240b4b3cead990ce2bd486433f6 [0,1,0,0,0,0|2,1,0]=4 3341 B11R1.180 Cc1ccsc1CCNC=O face3e688d3bcb97c791ad679777e4f8 [0,1,0,0,0,0|2,0,1]=4 3342 B11R1.180 Cc1ccsc1CCNCF 8734b71a41c3ea03a5cf82fc7862dcf2 [0,1,0,0,0,0|2,0,0]=3 3343 B11R1.180 Cc1ccsc1CCNCO 4ccf4eeb0f3bf5c9d4c9e144d84c17da [0,1,0,0,0,0|2,0,0]=3 3344 B11R1.180 Cc1ccsc1COCC#N 84c7b64710681747239f977133e64632 [0,1,0,0,0,0|2,0,1]=4 3345 B11R1.180 Cc1ccsc1COCC=O 8e458cceb0d3d5b6b25ae017c776e982 [0,1,0,0,0,0|2,0,1]=4 3346 B11R1.180 Cc1ccsc1COCCF 57079926303eccce3647bf23dcb06ae5 [0,1,0,0,0,0|2,0,0]=3 3347 B11R1.180 Cc1ccsc1COCCS 40c20cb47fe5a87a3d243755de26e61f [0,1,0,0,0,0|2,0,0]=3 3348 B11R1.180 Cc1ccsc1NCCCCl ca0ed3597466b0d6f4f8e973c897bf22 [0,1,0,0,0,0|2,0,0]=3 3349 B11R1.180 Cc1ccsc1NCCCO 4e0f5115b7942a0bdc1e21216afbe694 [0,1,0,0,0,0|2,0,0]=3 3350 B11R1.180 Cc1ccsc1NCCON 0e726338b691f2f20740407d3098cecc [0,1,0,0,0,0|3,0,0]=4 3351 B11R1.180 Cc1ncsc1CCNCF 7cdf7486c1c6d1c32667a1b32348526a [0,1,0,0,0,0|3,0,0]=4 3352 B11R1.180 Cc1ncsc1CCNCO 386ae8a43e1d4958f9665a79fb5af047 [0,1,0,0,0,0|3,0,0]=4 3353 B11R1.180 Cc1ncsc1CCOCF b730c0a35ac2c0398a187cdcff8ad81e [0,1,0,0,0,0|3,0,0]=4 3354 B11R1.180 Cc1ncsc1CNCCBr f9047c12fc1071c3e6b309c63def5eae [0,1,0,0,0,0|3,0,0]=4 3355 B11R1.180 Cc1ncsc1CNCCF 378a4f28b561aced139abb9d0a4d5f3b [0,1,0,0,0,0|3,0,0]=4 3356 B11R1.180 Cc1ncsc1CNCCI d07462d530881b522592144d8268d302 [0,1,0,0,0,0|3,0,0]=4 3357 B11R1.180 Cc1ncsc1CNCCO c4d0433734ba1ad41c0aaeb4d3e0d0a0 [0,1,0,0,0,0|3,0,0]=4 3358 B11R1.180 Cc1ncsc1CNCCS c7167c1d0061132c4cbef80aff903e3f [0,1,0,0,0,0|3,0,0]=4 3359 B11R1.180 Cc1ncsc1COCCF bd1cc08a3d57298d731e4843fafac877 [0,1,0,0,0,0|3,0,0]=4 3360 B11R1.180 Cc1ncsc1COCCS 8f59ce2ab720ec83ffcc4bb4f1e8a4f6 [0,1,0,0,0,0|3,0,0]=4 3361 B11R1.180 Cc1ncsc1NCCCCl 394587fbc1f0d70e2a091a124f74d1cd [0,1,0,0,0,0|3,0,0]=4 3362 B11R1.180 Cc1ncsc1NCCCF fd2ed6c534a1bfa669f52d9d16665ce2 [0,1,0,0,0,0|3,0,0]=4 3363 B11R1.180 Cc1ncsc1NCCCO 2378880407e972625730edd99097d523 [0,1,0,0,0,0|3,0,0]=4 3364 B11R1.180 Cc1ncsc1NCCCS 843916b03c27e907545bbd81acc78ee9 [0,1,0,0,0,0|3,0,0]=4 3365 B11R1.180 Clc1ncsc1CNCCBr 62edc93dcea54ffaa4b773d0c995fe61 [0,1,0,0,0,0|3,0,0]=4 3366 B11R1.180 Clc1ncsc1CNCCI ad9ea3fb56733ba6842c599c3ed4f7c2 [0,1,0,0,0,0|3,0,0]=4 3367 B11R1.180 Cn1cccc1CCNCF ed6b0c7768e286dc2d1a908d61458853 [0,1,0,0,0,0|3,0,0]=4 3368 B11R1.180 Cn1cccc1CCNCO 790bb83e65667dad9fed877ff318566d [0,1,0,0,0,0|3,0,0]=4 3369 B11R1.180 Cn1cccc1CCOCF ffdd8833447c1b248897e58db43862b8 [0,1,0,0,0,0|3,0,0]=4 3370 B11R1.180 Cn1cccc1CNCCF 56ce8b62555ab2fad6e28ed9b8974ccf [0,1,0,0,0,0|3,0,0]=4 3371 B11R1.180 Cn1cccc1CNCCO d6cfa6008add3f565ac3a214a9f07427 [0,1,0,0,0,0|3,0,0]=4 3372 B11R1.180 Cn1cccc1CNCCS 4236b88b0804119056453e4336b6a104 [0,1,0,0,0,0|3,0,0]=4 3373 B11R1.180 Cn1cccc1COCCF 2bd23cf1604a267c9fe7fb6c74ec6100 [0,1,0,0,0,0|3,0,0]=4 3374 B11R1.180 Cn1cccc1COCCS 92c55cec48e6a5b39b0b1d2bd432966c [0,1,0,0,0,0|3,0,0]=4 3375 B11R1.180 Cn1cccc1NCCCCl fa4cb119e51845743733c0775095606a [0,1,0,0,0,0|3,0,0]=4 3376 B11R1.180 Cn1cccc1NCCCO e6cba50781de15e8da23aeb60d6fa294 [0,1,0,0,0,0|3,0,0]=4 3377 B11R1.180 Cn1cccc1OCCCF de587e5507c3ed6ae0aeb724789de47b [0,1,0,0,0,0|3,0,0]=4 3378 B11R1.180 Cn1cccc1OCCCS 414bd3802ea80af27355d7ea5a046368 [0,1,0,0,0,0|3,0,0]=4 3379 B11R1.180 FCCNCc1sccc1Cl d73eeffbfb50738e2764ea64df24e5ca [0,1,0,0,0,0|2,0,0]=3 3380 B11R1.180 FCCNCc1sccc1F 7fabf80145d7b7e81acf07666044d7cd [0,1,0,0,0,0|2,0,0]=3 3381 B11R1.180 FCCNCc1scnc1Br e2f1f7418c34b3026eef0e1fac2ed721 [0,1,0,0,0,0|3,0,0]=4 3382 B11R1.180 FCCNCc1scnc1Cl 24276dcf5fc18a5e4c57b9b2ba759896 [0,1,0,0,0,0|3,0,0]=4 3383 B11R1.180 FCCOCc1occc1Br 3c4a4f849886f2b66830d431b605d9e7 [0,1,0,0,0,0|2,1,0]=4 3384 B11R1.180 FCCOCc1sccc1Cl 5423beb05fa76902014a46940af7c5d5 [0,1,0,0,0,0|2,0,0]=3 3385 B11R1.180 FCCOCc1sccc1F 9b0f9cb580808a56ebdf3a99d2c6dbfd [0,1,0,0,0,0|2,0,0]=3 3386 B11R1.180 FCCOCc1scnc1Br 0e1515c86c33e63469b5e0fdbe4b5feb [0,1,0,0,0,0|3,0,0]=4 3387 B11R1.180 FCCOCc1scnc1Cl 05aa413af27457abb1e7ea0f87c81f85 [0,1,0,0,0,0|3,0,0]=4 3388 B11R1.180 Fc1ccsc1CNCCS 5639506b199f0f9410f31c8cab06ee9f [0,1,0,0,0,0|2,0,0]=3 3389 B11R1.180 Fc1ccsc1COCCS 9ec88c258777a999b49d00298dce5579 [0,1,0,0,0,0|2,0,0]=3 3390 B11R1.180 N#CCNCc1sccc1Br 9f2732d220ab901e29a4b2d351534097 [0,1,0,0,0,0|2,0,1]=4 3391 B11R1.180 N#CCNCc1sccc1Cl 921c815d877d4a12677bfc29d1b5d191 [0,1,0,0,0,0|2,0,1]=4 3392 B11R1.180 N#CCNCc1sccc1F 6644e5b5cfafef493ec7f8b1c94a1960 [0,1,0,0,0,0|2,0,1]=4 3393 B11R1.180 N#CCOCc1sccc1Cl 46be12ebcf6711c48ee691e2c1ce895c [0,1,0,0,0,0|2,0,1]=4 3394 B11R1.180 N#CCOCc1sccc1F 62febe169d230404517f0adf01fdbe9a [0,1,0,0,0,0|2,0,1]=4 3395 B11R1.180 O=CCNCc1sccc1Br 08820ee07eb6effec7347f05d9d1ed94 [0,1,0,0,0,0|2,0,1]=4 3396 B11R1.180 O=CCNCc1sccc1Cl 62c2c73d22183afc9031ffe98b2fbd78 [0,1,0,0,0,0|2,0,1]=4 3397 B11R1.180 O=CCNCc1sccc1F 9e707de97c8fc65a288c81563c90bfd2 [0,1,0,0,0,0|2,0,1]=4 3398 B11R1.180 O=CCOCc1sccc1Br e49cfd4c5115a725f6608370f9489523 [0,1,0,0,0,0|2,0,1]=4 3399 B11R1.180 O=CCOCc1sccc1Cl 58381b918c7ca337c6bab1beb688d09e [0,1,0,0,0,0|2,0,1]=4 3400 B11R1.180 O=CCOCc1sccc1F 3c1e767e69f8f5d9e693f88ab23705f9 [0,1,0,0,0,0|2,0,1]=4 3401 B11R1.180 OCCNCc1sccc1Br 63faa4bf2d2e5653a3308fac8331fa67 [0,1,0,0,0,0|2,0,0]=3 3402 B11R1.180 OCCNCc1sccc1Cl a1ef48275d39586222c438d1024c4827 [0,1,0,0,0,0|2,0,0]=3 3403 B11R1.180 OCCNCc1sccc1F 76fc54aa42ccb7c1187898e82a9f0018 [0,1,0,0,0,0|2,0,0]=3 3404 B11R1.180 OCCNCc1scnc1Br 0069cc4a681306d1c625a778a07c53bc [0,1,0,0,0,0|3,0,0]=4 3405 B11R1.180 OCCNCc1scnc1Cl 658a1c5d4836d170dcc5397b51d2145e [0,1,0,0,0,0|3,0,0]=4 3406 B11R1.180 SCCNCc1sccc1Br 7b6bb4f3eebbf98f3d3382327c6dba21 [0,1,0,0,0,0|2,0,0]=3 3407 B11R1.180 SCCNCc1sccc1Cl 0595a2f6b91bf093fcd2662b0600c2e9 [0,1,0,0,0,0|2,0,0]=3 3408 B11R1.180 SCCNCc1scnc1Br 907027737b468f84882e4c14b3a0b8ff [0,1,0,0,0,0|3,0,0]=4 3409 B11R1.180 SCCNCc1scnc1Cl ba9b948a9789cf19d75147b00f034858 [0,1,0,0,0,0|3,0,0]=4 3410 B11R1.180 SCCOCc1occc1Br 1197067fd841a43219e06e20a6bc40d2 [0,1,0,0,0,0|2,1,0]=4 3411 B11R1.180 SCCOCc1sccc1Br fc1b05576033a8b49939df1e9d3ce239 [0,1,0,0,0,0|2,0,0]=3 3412 B11R1.180 SCCOCc1sccc1Cl 767c63c005da1a31cd4112384a7eaf83 [0,1,0,0,0,0|2,0,0]=3 3413 B11R1.180 SCCOCc1scnc1Br b12dd10dfafcfca3130a141670710403 [0,1,0,0,0,0|3,0,0]=4 3414 B11R1.180 SCCOCc1scnc1Cl 47dba34472f56db6cbbcad7d389f1cd2 [0,1,0,0,0,0|3,0,0]=4 3415 B11R1.180 SCCOCc1sncc1Br cd6a0cf4dfd76d3d9e9575072308552d [0,1,0,0,0,0|3,0,0]=4 3416 B9R0.5 C/C=C/C(=O)NCCCC 44c051192513db47c1c826c71178c208 [0,0,1,0,0,0|1,1,1]=4 3417 B9R0.5 C=CCC(=O)NCCCC aa4e9cc01c944a911bc93657ec8591fa [0,0,1,0,0,0|1,1,1]=4 3418 B9R0.5 C=CCN(C)CCCCC 0b10691c54227c175c8cdf0755b7f63b [0,0,1,0,0,0|2,0,1]=4 3419 B9R0.5 C=COC(=O)CNCCC 3fcb2e78c6d37ddb589d8fb06a6c54d6 [0,0,1,0,0,0|2,1,0]=4 3420 B9R0.5 C=COC(=O)COCCC 5f1ff34a229b00591eee62972bb38422 [0,0,1,0,0,0|2,1,0]=4 3421 B9R0.5 CCCCNC(=O)/C=C/Br 0dbf6af00ee33ccc94775c9b10e14f2d [0,0,1,0,0,0|2,1,0]=4 3422 B9R0.5 CCCCNC(=O)/C=C/Cl fb70afe77876110b5a0d3d6f58130074 [0,0,1,0,0,0|2,1,0]=4 3423 B9R0.5 CCCCNC(=O)/C=C/I 08fac6c7b0e84b5c53498e160a252913 [0,0,1,0,0,0|2,1,0]=4 3424 B9R0.5 CCCCNC(=O)/C=C\Br 110d3567aadc8708039726a6bf79929a [0,0,1,0,0,0|2,1,0]=4 3425 B9R0.5 CCCCNC(=O)/C=C\Cl 64b3a61ed02d229a647bad55a8000a4d [0,0,1,0,0,0|2,1,0]=4 3426 B9R0.5 CCCCNC(=O)/C=C\I dae7cd6cc453b79a863443f276a900b7 [0,0,1,0,0,0|2,1,0]=4 3427 B9R0.5 CCCCNC(=O)C=CBr 8793bc76d4d65e4bf0ad7dc4bd382289 [0,0,1,0,0,0|2,1,0]=4 3428 B9R0.5 CCCCNC(=O)C=CI bfc7d529d3d35a1a9f3c76e20f482d83 [0,0,1,0,0,0|2,1,0]=4 3429 B9R0.45 C/C=C/C=C/COCCC 8f1e48b4facc41411447438079f84a28 [0,0,1,0,0,0|2,0,0]=3 3430 B9R0.45 C/C=C/C=C/COCCF 5694049e672fc6f5fad06a25351f412d [0,0,1,0,0,0|3,0,0]=4 3431 B9R0.45 C/C=C/C=C/COCCS d3888aade3b067c13950d94387cb125a [0,0,1,0,0,0|3,0,0]=4 3432 B9R0.45 C/C=C/C=C/COCOC 5c2dc9c79dbd8663009901e5c7a8b64e [0,0,1,0,0,0|3,0,0]=4 3433 B9R0.45 C/C=C/C=C/COCSC 1c4cba468d017b57bf5bd8a750acd582 [0,0,1,0,0,0|3,0,0]=4 3434 B9R0.45 C/C=C/CNCCCCC 173af57cfda70fbf416f0d5599bfa036 [0,0,1,0,0,0|2,0,1]=4 3435 B9R0.45 C/C=C/COCCCCC 802c5cbc78037013e3e1230ad72e88ef [0,0,1,0,0,0|2,0,1]=4 3436 B9R0.45 C/C=C\CNCCCCC 2ee64f407eb13d42c64dbdca505fc819 [0,0,1,0,0,0|2,0,1]=4 3437 B9R0.45 C/C=C\COCCCCC 49d9ba2c76d4226b734a25af963b3a40 [0,0,1,0,0,0|2,0,1]=4 3438 B9R0.45 C=C/C=C/CCNCCC 83f5e14c911827042616181b3195dbb3 [0,0,1,0,0,0|2,0,1]=4 3439 B9R0.45 C=CCCNCCCCC a855019ae48c9b8cf6923444d001ccd3 [0,0,1,0,0,0|2,0,1]=4 3440 B9R0.45 C=CCCOCCCCC 6e7cf8472e35f7c7bd7858bc8c7bfd04 [0,0,1,0,0,0|2,0,1]=4 3441 B9R0.45 C=CCNCCCCCC 6384eba9acd253c5ddf82f9491922adb [0,0,1,0,0,0|1,0,2]=4 3442 B9R0.45 C=CCOCCCCCC 87e2c78ad35addafbe1ba3af3a2416ee [0,0,1,0,0,0|0,1,2]=4 3443 B9R0.45 CC=CC=CCOCCC 56450f7f936a8924869fea1d2e9622e7 [0,0,1,0,0,0|2,0,0]=3 3444 B9R0.45 CC=CC=CCOCCF cf003ae42f274a2a51abc4d55a3d9ad5 [0,0,1,0,0,0|3,0,0]=4 3445 B9R0.45 CC=CC=CCOCCS fd2bebd1bde5b1550f8db823e1699724 [0,0,1,0,0,0|3,0,0]=4 3446 B9R0.45 CC=CC=CCOCOC 2596b7da8bf6acd45fbe82fe6390dd54 [0,0,1,0,0,0|3,0,0]=4 3447 B9R0.45 CC=CC=CCOCSC 7dc62b0194640cc768d7705555554abe [0,0,1,0,0,0|3,0,0]=4 3448 B9R0.45 CC=CCNCCCCC 4ef4adafa1d8c573d6eb296bc442117e [0,0,1,0,0,0|2,0,1]=4 3449 B9R0.45 CC=CCOCCCCC 805449d8867d5a337059530a7812a078 [0,0,1,0,0,0|2,0,1]=4 3450 B9R0.45 CCCCCNC/C=C/Cl dd2b4d6593db8690c89984276577f51f [0,0,1,0,0,0|2,0,1]=4 3451 B9R0.45 CCCCCNC/C=C\Cl fb74b9636967ca4beacb07a8f7ddd469 [0,0,1,0,0,0|2,0,1]=4 3452 B9R0.45 CCCCCNC/C=C\O a03bd9f596fd925d470752532a1e67bf [0,0,1,0,0,0|1,1,1]=4 3453 B9R0.45 CCCCCOC/C=C/Cl 902b3675920ce425dd913260445c6a1b [0,0,1,0,0,0|2,0,1]=4 3454 B9R0.45 CCCCCOC/C=C\Cl 3081f394d252ec216de633eb3f90aefe [0,0,1,0,0,0|2,0,1]=4 3455 B9R0.45 CCCCCOCC=CCl 1caf48ce8f7b269d545bfce57c62ccdf [0,0,1,0,0,0|2,0,1]=4 3456 B9R0.45 CCCCOC/C=C/C=O 2da2f2ec693713191f08b0d2f08d4dd9 [0,0,1,0,0,0|1,1,1]=4 3457 B9R0.50 C=CC(C=C)OCCCC ab7cd24288c143103860d36be86b3b7a [0,0,1,0,0,0|2,0,1]=4 3458 B11R2.2 C1=CCN(C1)C2CCCC2 d13ef09c84a2aa98504b7da3d2359e46 [0,0,0,1,0,0|2,0,1]=4 3459 B11R2.5 CC1CC1Nc2ccns2 57a1a41fff97457ae39ebf4f37e59aa1 [0,0,0,1,0,0|2,0,0]=3 3460 B11R2.5 CC1CC1Nc2ccoc2 f306e4fc391a67fbda2e38594357206d [0,0,0,1,0,0|3,0,0]=4 3461 B11R2.5 CC1CC1Nc2ncc[nH]2 8717ab2eff46c2877a88636cf3de1211 [0,0,0,1,0,0|3,0,0]=4 3462 B11R2.5 CC1CC1Nc2ncco2 da24961eb2a36a22de9a7e21978b1ab4 [0,0,0,1,0,0|2,1,0]=4 3463 B11R2.5 CC1CC1Nc2nccs2 35db904ad8c85e2fe57090415dd4e002 [0,0,0,1,0,0|2,0,0]=3 3464 B11R2.5 F[C@@H]1C[C@@H]1Nc2ccns2 845f73b00b0911a873a54830efec16c7 [0,0,0,1,0,0|3,0,0]=4 3465 B11R2.5 F[C@@H]1C[C@@H]1Nc2nccs2 76a32f1f1e5675b3a529dfd2a35ac648 [0,0,0,1,0,0|3,0,0]=4 3466 B11R2.5 F[C@@H]1C[C@H]1Nc2ccns2 95ce8817e4abbb22f6f03171c40ff9ae [0,0,0,1,0,0|3,0,0]=4 3467 B11R2.5 F[C@@H]1C[C@H]1Nc2nccs2 89908d1023fde290719d95dade66256b [0,0,0,1,0,0|3,0,0]=4 3468 B11R2.5 F[C@H]1C[C@@H]1Nc2ccns2 8aa8b5f63ac71a59554ec966880479bb [0,0,0,1,0,0|3,0,0]=4 3469 B11R2.5 F[C@H]1C[C@@H]1Nc2nccs2 f08d5bedf0e3dbc87826dc649ca41860 [0,0,0,1,0,0|3,0,0]=4 3470 B11R2.191 CCN1CCn2c1ccn2 9e78d5a87d61b8ea3372a8dd69f1e5c0 [0,0,0,1,0,0|3,0,0]=4 3471 B11R2.237 C1=CCN(C1)CC2CCC2 f040ec5b8a229410c1c475cef9993887 [0,0,0,1,0,0|2,0,1]=4 3472 B11R2.237 c1c[nH]c(n1)CN2CCC2 17402354dd6f0f1310cff4e72eba983c [0,0,0,1,0,0|3,0,0]=4 3473 B11R2.237 c1c[nH]c(n1)NC2CCC2 4372bf21d7e00261cb94246e6105d244 [0,0,0,1,0,0|3,0,0]=4 3474 B11R2.237 c1cc([nH]n1)OC2CCC2 4d7d9fe98a33e854d606aa094c68fac5 [0,0,0,1,0,0|3,0,0]=4 3475 B11R2.237 c1cc(cs1)CN2CCC2 9049c6c75800c4cc6b25e1fe3349dfbb [0,0,0,1,0,0|3,0,0]=4 3476 B11R2.237 c1cc(cs1)NC2CCC2 7543eecfd06dbf9b2d319186ea7968ae [0,0,0,1,0,0|3,0,0]=4 3477 B11R2.237 c1cc(cs1)OC2CCC2 6eecea36d0237e37b62c16f474c843b0 [0,0,0,1,0,0|3,0,0]=4 3478 B11R2.237 c1cc(n[nH]1)NC2CCC2 4ec21b2262f468480fe0501adde99d36 [0,0,0,1,0,0|3,0,0]=4 3479 B11R2.237 c1cc(no1)CN2CCC2 8b96ee479c2c3ccccc0016d12ab5cc20 [0,0,0,1,0,0|3,0,0]=4 3480 B11R2.237 c1cc(on1)CN2CCC2 9174612495f06eff6334c4e023b27c56 [0,0,0,1,0,0|2,1,0]=4 3481 B11R2.237 c1cc(on1)NC2CCC2 f32f503597d4cc3568656db9557dad14 [0,0,0,1,0,0|2,1,0]=4 3482 B11R2.237 c1cc(sn1)NC2CCC2 43098c9f24a6c257c210e73afe3ec172 [0,0,0,1,0,0|2,0,0]=3 3483 B11R2.237 c1cc(sn1)NC2COC2 21b19922e26708dd2d0c53ba5dc87b0f [0,0,0,1,0,0|3,0,0]=4 3484 B11R2.237 c1cnn(c1)OC2CCC2 c51382b38b4a80223451a3882e1fdf14 [0,0,0,1,0,0|3,0,0]=4 3485 B11R2.237 c1coc(c1)CN2CCC2 3e50eaf83d3960c7b6f520b714cdd595 [0,0,0,1,0,0|1,1,0]=3 3486 B11R2.237 c1coc(c1)OC2CCC2 f5af9146d5a318e10ab5a7606f12d4d4 [0,0,0,1,0,0|1,1,0]=3 3487 B11R2.237 c1coc(c1)OC2COC2 ea8a9222025dc5c404c4c71757a8f9d5 [0,0,0,1,0,0|2,1,0]=4 3488 B11R2.237 c1coc(n1)CN2CCC2 94cb80fde298004e3507d3c464206d90 [0,0,0,1,0,0|2,1,0]=4 3489 B11R2.237 c1csc(c1)CN2CCC2 61f74da87acdf0e734416416174ecede [0,0,0,1,0,0|1,0,0]=2 3490 B11R2.237 c1csc(n1)CN2CCC2 437e6047eb6b0af04795bdafe485e1ee [0,0,0,1,0,0|2,0,0]=3 3491 B11R2.237 c1csc(n1)NC2COC2 df6b0fbb2151ce8d60243acdbde58160 [0,0,0,1,0,0|3,0,0]=4 3492 B11R2.237 c1csc(n1)OC2CCC2 14fc5a83b3b5ad432bb9f5b067995817 [0,0,0,1,0,0|2,0,0]=3 3493 B11R2.237 c1nc(c[nH]1)OC2CCC2 cb9787f12fba2a6c223c299a8423d4ee [0,0,0,1,0,0|3,0,0]=4 3494 B11R2.237 c1nc(co1)CN2CCC2 14c2c0ad56cd73cf9cd1b7fb9b68c77d [0,0,0,1,0,0|3,0,0]=4 3495 B11R2.237 c1nc(cs1)CN2CCC2 3f2b605fd79db0250057f6d5842b1914 [0,0,0,1,0,0|3,0,0]=4 3496 B11R2.237 c1ncc([nH]1)CN2CCC2 114ca2169db22201cf522d79fd57446f [0,0,0,1,0,0|3,0,0]=4 3497 B11R2.237 c1ncc(o1)CN2CCC2 28e383210387c65baef3a2a0986f228f [0,0,0,1,0,0|2,1,0]=4 3498 B11R2.385 C1=CCN(C1)CCC2CC2 bbfc63f409bd8bf91f8b686d20e30df2 [0,0,0,1,0,0|2,0,1]=4 3499 B11R2.385 c1c[nH]c(c1)CNC2CC2 59a6e11358ca50c2f19af30cfbe39db3 [0,0,0,1,0,0|2,0,0]=3 3500 B11R2.385 c1c[nH]c(c1)COC2CC2 d023f1c2c116ea6d7b44d3da54d9b0f1 [0,0,0,1,0,0|2,0,0]=3 3501 B11R2.385 c1c[nH]c(n1)CNC2CC2 990e9bbf8c8c488fdb04996ede2cc90f [0,0,0,1,0,0|3,0,0]=4 3502 B11R2.385 c1c[nH]c(n1)COC2CC2 00e2c0d6adc1526bcc42e3a0bc39cf75 [0,0,0,1,0,0|3,0,0]=4 3503 B11R2.385 c1c[nH]c(n1)NCC2CC2 86de190578d0d618dac1c095d2e4c772 [0,0,0,1,0,0|3,0,0]=4 3504 B11R2.385 c1cc([nH]n1)CNC2CC2 4cde98cebae53a257cd649243ae843ed [0,0,0,1,0,0|3,0,0]=4 3505 B11R2.385 c1cc([nH]n1)COC2CC2 a15ca4cf8a9beb24c2667c5b528e6b6b [0,0,0,1,0,0|3,0,0]=4 3506 B11R2.385 c1cc([nH]n1)OCC2CC2 e04c46d6a2b96e1141a6170725dbd16d [0,0,0,1,0,0|3,0,0]=4 3507 B11R2.385 c1cc(c[nH]1)CNC2CC2 b804be65a578e905cf1da0545215b041 [0,0,0,1,0,0|3,0,0]=4 3508 B11R2.385 c1cc(c[nH]1)COC2CC2 a7ad929daa8f7f6a5d59ff785d008798 [0,0,0,1,0,0|3,0,0]=4 3509 B11R2.385 c1cc(co1)COC2CC2 35d9e97d12fac95a3d58a489c841e98a [0,0,0,1,0,0|3,0,0]=4 3510 B11R2.385 c1cc(co1)NCC2CC2 1e87185fea84c46c84fa920c9940d803 [0,0,0,1,0,0|3,0,0]=4 3511 B11R2.385 c1cc(cs1)CNC2CC2 a7820cfb7ecff9c89452b6027bd3a5e2 [0,0,0,1,0,0|3,0,0]=4 3512 B11R2.385 c1cc(cs1)COC2CC2 068b9eca04e3b48769d624ee7f31aca1 [0,0,0,1,0,0|3,0,0]=4 3513 B11R2.385 c1cc(cs1)NCC2CC2 d7c1c68c88a0ed9a5acdbe63c10b8479 [0,0,0,1,0,0|3,0,0]=4 3514 B11R2.385 c1cc(cs1)OCC2CC2 a9ccddcf261684bf493f528bf2bde3c0 [0,0,0,1,0,0|3,0,0]=4 3515 B11R2.385 c1cc(n[nH]1)NCC2CC2 481876c06478acccb5e8f047997cadb2 [0,0,0,1,0,0|3,0,0]=4 3516 B11R2.385 c1cc(no1)CNC2CC2 81fc59589b4b1762e5c66cd06eac1dfe [0,0,0,1,0,0|3,0,0]=4 3517 B11R2.385 c1cc(no1)COC2CC2 f509f72911a75184161960d9fc988d33 [0,0,0,1,0,0|3,0,0]=4 3518 B11R2.385 c1cc(no1)NCC2CC2 a28a70437e17863a546a1b98e3b51118 [0,0,0,1,0,0|3,0,0]=4 3519 B11R2.385 c1cc(ns1)COC2CC2 f9b9434b62b4cf8f9ba8bea9fa378b70 [0,0,0,1,0,0|3,0,0]=4 3520 B11R2.385 c1cc(on1)CNC2CC2 06613c56d54822f3b9182d583388fb5e [0,0,0,1,0,0|2,1,0]=4 3521 B11R2.385 c1cc(on1)COC2CC2 8fec2cf7d8dd82f156f77177004af495 [0,0,0,1,0,0|2,1,0]=4 3522 B11R2.385 c1cc(on1)NCC2CC2 86fa87d01515f64356de5368b49e2a99 [0,0,0,1,0,0|2,1,0]=4 3523 B11R2.385 c1cc(sn1)COC2CC2 494c4f994afaa94b2080707d5c96d212 [0,0,0,1,0,0|2,0,0]=3 3524 B11R2.385 c1cc(sn1)NCC2CC2 296aa7f4bcd04ca0b78c302d6fe34112 [0,0,0,1,0,0|2,0,0]=3 3525 B11R2.385 c1cnn(c1)COC2CC2 5d2880be8993abfcdf4249f0c39f7f5e [0,0,0,1,0,0|3,0,0]=4 3526 B11R2.385 c1cnn(c1)OCC2CC2 7ec879fffc373e9ab50f282e028b0715 [0,0,0,1,0,0|3,0,0]=4 3527 B11R2.385 c1coc(c1)CNC2CC2 a935d11545af700e1f9217e8d211e17d [0,0,0,1,0,0|1,1,0]=3 3528 B11R2.385 c1coc(c1)COC2CC2 03ead378b7018e25b154b738e6adcece [0,0,0,1,0,0|1,1,0]=3 3529 B11R2.385 c1coc(c1)OCC2CC2 47a1be8c37388d024c5b454a8878d544 [0,0,0,1,0,0|1,1,0]=3 3530 B11R2.385 c1coc(n1)CNC2CC2 c5e996094d16df79fcb435eebd38fa1d [0,0,0,1,0,0|2,1,0]=4 3531 B11R2.385 c1coc(n1)COC2CC2 1e557a89a97a47604715be08f048b659 [0,0,0,1,0,0|2,1,0]=4 3532 B11R2.385 c1coc(n1)NCC2CC2 797054f02a1060750213df59834a8720 [0,0,0,1,0,0|2,1,0]=4 3533 B11R2.385 c1csc(c1)CNC2CC2 a3b8685df1d05086920b83e0e1a30168 [0,0,0,1,0,0|1,0,0]=2 3534 B11R2.385 c1csc(c1)COC2CC2 9c47682f7822b9ce46ff4579e17f72af [0,0,0,1,0,0|1,0,0]=2 3535 B11R2.385 c1csc(c1)NCC2CC2 325c825ea7aa3019b849fb2de969b493 [0,0,0,1,0,0|1,0,0]=2 3536 B11R2.385 c1csc(c1)OCC2CC2 48cbf3e23a9745a4d434fee8d20b2061 [0,0,0,1,0,0|1,0,0]=2 3537 B11R2.385 c1csc(n1)CNC2CC2 b8d89713dcd481b9e6be0b5843ef246c [0,0,0,1,0,0|2,0,0]=3 3538 B11R2.385 c1csc(n1)COC2CC2 2d90457352a9185202007aa9b1918864 [0,0,0,1,0,0|2,0,0]=3 3539 B11R2.385 c1csc(n1)NCC2CC2 7b428f84f7e75ab9f36332cbee562ef0 [0,0,0,1,0,0|2,0,0]=3 3540 B11R2.385 c1csc(n1)OCC2CC2 e9a76bf76c95ff84df42200db11c859a [0,0,0,1,0,0|2,0,0]=3 3541 B11R2.385 c1nc(c[nH]1)OCC2CC2 f157aa2e68cba022092c604a0148faa8 [0,0,0,1,0,0|3,0,0]=4 3542 B11R2.385 c1nc(co1)CNC2CC2 e24de11945d488c7ffe7bd6335d9f365 [0,0,0,1,0,0|3,0,0]=4 3543 B11R2.385 c1nc(co1)COC2CC2 845a5f80595260c3addae202c350dc40 [0,0,0,1,0,0|3,0,0]=4 3544 B11R2.385 c1nc(co1)NCC2CC2 116f3bfe7b4a62b9763f03f0ed9633ac [0,0,0,1,0,0|3,0,0]=4 3545 B11R2.385 c1nc(cs1)CNC2CC2 4474308bf3b8e3f23a17c5754d0d4709 [0,0,0,1,0,0|3,0,0]=4 3546 B11R2.385 c1nc(cs1)COC2CC2 6b1683fd5cfde331231fb6063efd0b58 [0,0,0,1,0,0|3,0,0]=4 3547 B11R2.385 c1nc(cs1)NCC2CC2 6425da82f9e6b0a63a6ef80cfda155db [0,0,0,1,0,0|3,0,0]=4 3548 B11R2.385 c1ncc([nH]1)CNC2CC2 75118677b20f806fc07ec0c50c283d84 [0,0,0,1,0,0|3,0,0]=4 3549 B11R2.385 c1ncc([nH]1)COC2CC2 db95b298d7e54c92b621de5f0a5746ef [0,0,0,1,0,0|3,0,0]=4 3550 B11R2.385 c1ncc(o1)COC2CC2 a7c8ffaf82745c0445426b7baf823bf9 [0,0,0,1,0,0|2,1,0]=4 3551 B11R2.385 c1ncc(s1)COC2CC2 20c8ead087779fc6f4001332299c252b [0,0,0,1,0,0|2,0,0]=3 3552 B11R2.385 c1ncc(s1)NCC2CC2 00861f364f609722f473cd159bf30bb2 [0,0,0,1,0,0|2,0,0]=3 3553 B11R2.385 c1nnc(s1)NCC2CC2 578998df19ccee16ff33692e80fd78aa [0,0,0,1,0,0|3,0,0]=4 3554 B11R2.385 c1nnc(s1)OCC2CC2 8010f15300ea49367a85c0f59eb05863 [0,0,0,1,0,0|3,0,0]=4 3555 B11R2.385 c1nnsc1NCC2CC2 b26b86005722e55dbda228e8d8c75dc7 [0,0,0,1,0,0|3,0,0]=4 3556 B11R2.385 c1nsc(n1)COC2CC2 273295e711cb649759167cae4fc14152 [0,0,0,1,0,0|3,0,0]=4 3557 B11R2.385 c1nsc(n1)NCC2CC2 9363f76efbb4aa73997f01611578a93c [0,0,0,1,0,0|3,0,0]=4 3558 B11R1.28 BrCCNCc1ccccc1 ac057fc43e8d6ea85181427003cd8239 [0,0,0,0,0,1|3,0,0]=4 3559 B11R1.28 BrCCNCc1ccccn1 90bb93ff46fc49bde9265b45b65f9d87 [0,0,0,0,0,1|3,0,0]=4 3560 B11R1.28 BrCCNCc1cccnc1 a9888ba9b6c914af5c547c17a572df8f [0,0,0,0,0,1|3,0,0]=4 3561 B11R1.28 BrCCNCc1cccnn1 b768633755d3d5e80d9e7a1d90688eef [0,0,0,0,0,1|3,0,0]=4 3562 B11R1.28 BrCCNCc1ccncn1 f162626abcab5d0b5ade1edd41d87537 [0,0,0,0,0,1|3,0,0]=4 3563 B11R1.28 BrCCNCc1ncccn1 db9e4586b003b20816beb6944fa16353 [0,0,0,0,0,1|3,0,0]=4 3564 B11R1.28 CCCCCN1CC=CCC1 d500fffaf2826f4f41d6075397a993f5 [0,0,0,0,0,1|2,0,1]=4 3565 B11R1.28 CCCCNc1ccccc1 178647391839dfbe95aed182d7dc43ba [0,0,0,0,0,1|2,0,0]=3 3566 B11R1.28 CCCCNc1ccccn1 91c5e93b79177d6bf2e79f08485f5335 [0,0,0,0,0,1|2,0,0]=3 3567 B11R1.28 CCCCNc1cccnc1 b72453a6fd2f6ec63a951a849bd6d4ab [0,0,0,0,0,1|2,0,0]=3 3568 B11R1.28 CCCCNc1cccnn1 3dfd51777ba04f9375640c74ab9fa2e6 [0,0,0,0,0,1|2,0,0]=3 3569 B11R1.28 CCCCNc1ccncc1 24fb8abdae77c89030f13cd0949f55ff [0,0,0,0,0,1|2,0,0]=3 3570 B11R1.28 CCCCNc1ccncn1 285343aee96e8f045fe913fc70b195a9 [0,0,0,0,0,1|2,0,0]=3 3571 B11R1.28 CCCCNc1ccnnc1 ff8398fcae5d1b92f9ec3bc78a562cec [0,0,0,0,0,1|3,0,0]=4 3572 B11R1.28 CCCCNc1cnccn1 94ad2094a4d853e068f8fa7ebd18c7ff [0,0,0,0,0,1|2,0,0]=3 3573 B11R1.28 CCCCNc1cncnc1 5898f2b85902d6f8660c7182ee3b2170 [0,0,0,0,0,1|3,0,0]=4 3574 B11R1.28 CCCCNc1cnncn1 bdd7d665f8c7d76a076d062e16600b45 [0,0,0,0,0,1|3,0,0]=4 3575 B11R1.28 CCCCNc1ncccn1 1c9a1ed7a4872dfade79e48decc1fc1d [0,0,0,0,0,1|2,0,0]=3 3576 B11R1.28 CCCCNc1nccnn1 560ef2f12eabbad67e6661fe4624d7b9 [0,0,0,0,0,1|3,0,0]=4 3577 B11R1.28 CCCCNc1ncncn1 f37f74726d1ca9322f8a3a7bac26cb21 [0,0,0,0,0,1|3,0,0]=4 3578 B11R1.28 CCCCOc1ccccn1 6484ab4f70c598bfd74c056129d64bfe [0,0,0,0,0,1|2,0,0]=3 3579 B11R1.28 CCCCOc1cccnc1 5afbbe8f7376fe71bb9dd4caf03cbd91 [0,0,0,0,0,1|2,0,0]=3 3580 B11R1.28 CCCCOc1ccncc1 fc01d35869db11789e0b4af0f1677b1b [0,0,0,0,0,1|2,0,0]=3 3581 B11R1.28 CCCCOc1ccnnc1 667207acd2d82bae5786ac94d3b108de [0,0,0,0,0,1|3,0,0]=4 3582 B11R1.28 CCCCOc1cnccn1 74c5e85aaa9b94ec4e088971edd3244b [0,0,0,0,0,1|2,0,0]=3 3583 B11R1.28 CCCCOc1cncnc1 d754e073f477d30ef4fb9949b36048b9 [0,0,0,0,0,1|3,0,0]=4 3584 B11R1.28 CCCCOc1cncnn1 dc395df6bfebd51ae61b86be3230a0bd [0,0,0,0,0,1|3,0,0]=4 3585 B11R1.28 CCCCOc1ncccn1 cea963446efaea4e45d8684cc469bd67 [0,0,0,0,0,1|2,0,0]=3 3586 B11R1.28 CCCNCc1ccccc1 6e74fa6187fccbc3617e9cc264b3e7aa [0,0,0,0,0,1|2,0,0]=3 3587 B11R1.28 CCCNCc1ccccn1 80119cb7f5f54b354b4e2a1110975477 [0,0,0,0,0,1|2,0,0]=3 3588 B11R1.28 CCCNCc1cccnc1 bc1eb1c5ec13776685acded27d44c636 [0,0,0,0,0,1|2,0,0]=3 3589 B11R1.28 CCCNCc1cccnn1 f9771734910ebcad90f8cb14178ca09d [0,0,0,0,0,1|2,0,0]=3 3590 B11R1.28 CCCNCc1ccncc1 a4e33f26d038f90cea08a211a6327f1b [0,0,0,0,0,1|2,0,0]=3 3591 B11R1.28 CCCNCc1ccncn1 4c6d605a0ccf50e124c7a439ea71cca1 [0,0,0,0,0,1|2,0,0]=3 3592 B11R1.28 CCCNCc1ccnnc1 f0dc052fccb98d09ed6a02caf7ad77f6 [0,0,0,0,0,1|3,0,0]=4 3593 B11R1.28 CCCNCc1cnccn1 c9890f6f5a4e09bed341b3daf3b2c549 [0,0,0,0,0,1|2,0,0]=3 3594 B11R1.28 CCCNCc1cncnc1 b63f5b77d0d35d3228827f3601ca0c32 [0,0,0,0,0,1|3,0,0]=4 3595 B11R1.28 CCCNCc1ncccn1 9d6cc7b3819df7e77a589192f2bf91c0 [0,0,0,0,0,1|2,0,0]=3 3596 B11R1.28 CCCOCc1ccccc1 112c1e14e862b8fbffa225764759b8ec [0,0,0,0,0,1|2,0,0]=3 3597 B11R1.28 CCCOCc1ccccn1 a2de9c7a7551b2ca6641b10a888e1203 [0,0,0,0,0,1|2,0,0]=3 3598 B11R1.28 CCCOCc1cccnc1 02843d33c5a54d2140670eb60a4dfb7b [0,0,0,0,0,1|2,0,0]=3 3599 B11R1.28 CCCOCc1cccnn1 b324e54ae74b0a57b2f9b766e3c0e490 [0,0,0,0,0,1|2,0,0]=3 3600 B11R1.28 CCCOCc1ccncc1 56ee45f2e5ce25d41ded46b7cfbb89b5 [0,0,0,0,0,1|2,0,0]=3 3601 B11R1.28 CCCOCc1ccncn1 c21e413653b185c946f470cd3c989a49 [0,0,0,0,0,1|2,0,0]=3 3602 B11R1.28 CCCOCc1ccnnc1 835d98ea225e99027be93ac65a9ecaeb [0,0,0,0,0,1|3,0,0]=4 3603 B11R1.28 CCCOCc1cnccn1 2f92d9f2b0d873450f90961d7406570a [0,0,0,0,0,1|2,0,0]=3 3604 B11R1.28 CCCOCc1cncnc1 62dd4b6cbce5110705e084fd1f6898a2 [0,0,0,0,0,1|3,0,0]=4 3605 B11R1.28 CCCOCc1ncccn1 aded070bc849868bd77e139f41cc86fb [0,0,0,0,0,1|2,0,0]=3 3606 B11R1.28 CCNCCc1ccccc1 a4bcdd097e726e04ab2794cdb42f5f71 [0,0,0,0,0,1|2,0,0]=3 3607 B11R1.28 CCNCCc1ccccn1 08ffb64a8c703d8e611cb4b81d73ea48 [0,0,0,0,0,1|2,0,0]=3 3608 B11R1.28 CCNCCc1cccnc1 4a3a0c73e4e732e57ab84a312bb6bfb2 [0,0,0,0,0,1|2,0,0]=3 3609 B11R1.28 CCNCCc1ccncc1 8e4e115f84a67e767e5e9ff1560cacbe [0,0,0,0,0,1|2,0,0]=3 3610 B11R1.28 CCNCCc1ccncn1 dba79812e975c4d64e5e25d258f9e6a6 [0,0,0,0,0,1|2,0,0]=3 3611 B11R1.28 CCNCCc1cnccn1 2497cab3d04dd1dac7aa9e87fb020630 [0,0,0,0,0,1|2,0,0]=3 3612 B11R1.28 CCNCCc1ncccn1 8878621879d60c35f5e690c8ce15ae29 [0,0,0,0,0,1|2,0,0]=3 3613 B11R1.28 CCOCCc1ccccc1 4c8fc52cc53157c0b0cd10959d18f86a [0,0,0,0,0,1|2,0,0]=3 3614 B11R1.28 CCOCCc1ccccn1 0d3553a98e2eb283c6e354f56bb7c09d [0,0,0,0,0,1|2,0,0]=3 3615 B11R1.28 CCOCCc1cccnc1 fde9743ce24696d5aa5aa82dfaaaf4a7 [0,0,0,0,0,1|2,0,0]=3 3616 B11R1.28 CCOCCc1ccncc1 630579b198392670c66e884689fb17ef [0,0,0,0,0,1|2,0,0]=3 3617 B11R1.28 CCOCCc1ccncn1 bedc028f31c05778aab48e9543338256 [0,0,0,0,0,1|2,0,0]=3 3618 B11R1.28 CCOCCc1cnccn1 df7cb588e7f62873ee34f1155b413714 [0,0,0,0,0,1|2,0,0]=3 3619 B11R1.28 CCOCCc1cncnc1 58c96cb82c933f213a2e027db9cf3e79 [0,0,0,0,0,1|3,0,0]=4 3620 B11R1.28 CCOCCc1ncccn1 3fe5ff61de16184188b5260ddcb372ea [0,0,0,0,0,1|2,0,0]=3 3621 B11R1.28 CCOCNc1ccccc1 00b4118c5fbc36d206f093517b5cafbb [0,0,0,0,0,1|3,0,0]=4 3622 B11R1.28 CCOCNc1ccccn1 ac3729b96ca810b5bc3bde9ed19bf9fa [0,0,0,0,0,1|3,0,0]=4 3623 B11R1.28 CCOCNc1cccnc1 d3b3fa022b30954b0290fed1cdafa77a [0,0,0,0,0,1|3,0,0]=4 3624 B11R1.28 CCOCNc1cccnn1 e45400654c951e5da57247b84fef5d3a [0,0,0,0,0,1|3,0,0]=4 3625 B11R1.28 CCOCNc1ccncc1 7b541819d70b7814c284336c668c77e2 [0,0,0,0,0,1|3,0,0]=4 3626 B11R1.28 CCOCNc1ccncn1 ac025a168367c6a81f61efd458de89aa [0,0,0,0,0,1|3,0,0]=4 3627 B11R1.28 CCOCNc1cnccn1 b10f54b02233d2aa203f7b5134c91fdb [0,0,0,0,0,1|3,0,0]=4 3628 B11R1.28 CCOCNc1ncccn1 fcb38bd4c27d2ec9bea1e232fffc4a03 [0,0,0,0,0,1|3,0,0]=4 3629 B11R1.28 CCOCOc1ccccn1 54f1e3cb35931cbfff15b357666888af [0,0,0,0,0,1|3,0,0]=4 3630 B11R1.28 CCOCOc1cccnc1 ead2fcc768ce8c5c30053e5139f1a3f8 [0,0,0,0,0,1|3,0,0]=4 3631 B11R1.28 CCOCOc1ccncc1 432375e2a4c080d14e68465c24c6befc [0,0,0,0,0,1|3,0,0]=4 3632 B11R1.28 CCOCOc1cnccn1 bec42aacd144c9dd6c28b79c769a9705 [0,0,0,0,0,1|3,0,0]=4 3633 B11R1.28 CCOCOc1ncccn1 6f3d977a126a9911e9141c2a752b2884 [0,0,0,0,0,1|3,0,0]=4 3634 B11R1.28 COCCNc1ccccc1 5ef0d3255ad59be77d905fd9c0e71e6d [0,0,0,0,0,1|3,0,0]=4 3635 B11R1.28 COCCNc1ccccn1 89ce959fbd9c09f77faba6fd797cd6ad [0,0,0,0,0,1|3,0,0]=4 3636 B11R1.28 COCCNc1cccnc1 3616fb0bfda365de01dc790c24f19ca2 [0,0,0,0,0,1|3,0,0]=4 3637 B11R1.28 COCCNc1cccnn1 8733c04e0a44ea8a7038e5961b1befad [0,0,0,0,0,1|3,0,0]=4 3638 B11R1.28 COCCNc1ccncc1 e86302258d425dce02b6a807adbdf19d [0,0,0,0,0,1|3,0,0]=4 3639 B11R1.28 COCCNc1ccncn1 c6d474a468adffcb122226924683c6d3 [0,0,0,0,0,1|3,0,0]=4 3640 B11R1.28 COCCNc1cnccn1 89a57d49972f4332836b38e03ec7c28e [0,0,0,0,0,1|3,0,0]=4 3641 B11R1.28 COCCNc1ncccn1 7e1e5eb4cfa8afc12d90009e638d22ba [0,0,0,0,0,1|3,0,0]=4 3642 B11R1.28 COCCOc1ccccn1 c15a0f2a35a14a6120db222de8e43d40 [0,0,0,0,0,1|3,0,0]=4 3643 B11R1.28 COCCOc1cccnc1 7d9dde4ce0ac45ab046b208edae409a9 [0,0,0,0,0,1|3,0,0]=4 3644 B11R1.28 COCCOc1ccncc1 13c01b88dd4fec82579627c21ba6ed06 [0,0,0,0,0,1|3,0,0]=4 3645 B11R1.28 COCCOc1cnccn1 3195bf44c40b4cfe23cd964d6107e835 [0,0,0,0,0,1|3,0,0]=4 3646 B11R1.28 COCCOc1ncccn1 ecaf6dd7fa3225dcb21592e471186427 [0,0,0,0,0,1|3,0,0]=4 3647 B11R1.28 COCNCc1ccccc1 658bb4bb78d053244c07843f6f02f062 [0,0,0,0,0,1|3,0,0]=4 3648 B11R1.28 COCNCc1ccccn1 cb969ddff5a45a0c4df4b7717e547f81 [0,0,0,0,0,1|3,0,0]=4 3649 B11R1.28 COCNCc1cccnc1 35b8b6083a32f9db8795c63f618b2f12 [0,0,0,0,0,1|3,0,0]=4 3650 B11R1.28 COCNCc1cccnn1 9aaebdac9b44cb036a6c4efec8b145a8 [0,0,0,0,0,1|3,0,0]=4 3651 B11R1.28 COCNCc1ccncc1 3fb6af955e4c1e6a3044742c559cc5ae [0,0,0,0,0,1|3,0,0]=4 3652 B11R1.28 COCNCc1ccncn1 d1470f86349a91c3077428a64eeb245d [0,0,0,0,0,1|3,0,0]=4 3653 B11R1.28 COCNCc1cnccn1 e7da00a079ae82f27242b20b43289b5a [0,0,0,0,0,1|3,0,0]=4 3654 B11R1.28 COCNCc1ncccn1 910dc37e487213f00ebe28f7f96b3dad [0,0,0,0,0,1|3,0,0]=4 3655 B11R1.28 COCOCc1ccccc1 33758b3ae4df68a136cb96076fbeb2ee [0,0,0,0,0,1|3,0,0]=4 3656 B11R1.28 COCOCc1ccccn1 c7e2d466f64f2796a0fb099c19cb65e2 [0,0,0,0,0,1|3,0,0]=4 3657 B11R1.28 COCOCc1cccnc1 f4d73442b3dd40c1495fadfe4fccda61 [0,0,0,0,0,1|3,0,0]=4 3658 B11R1.28 COCOCc1cccnn1 6a346636ce31dd66677c2c2e6f45b6aa [0,0,0,0,0,1|3,0,0]=4 3659 B11R1.28 COCOCc1ccncc1 99c1a2805ee24504fc8830c71e80abe6 [0,0,0,0,0,1|3,0,0]=4 3660 B11R1.28 COCOCc1ccncn1 5977780fcd5de8ad874d004f7b7d968c [0,0,0,0,0,1|3,0,0]=4 3661 B11R1.28 COCOCc1cnccn1 6fe649a8173b64bf80af621a9eaae369 [0,0,0,0,0,1|3,0,0]=4 3662 B11R1.28 COCOCc1ncccn1 0812a457fd84b7c7be763e51ebbce2d3 [0,0,0,0,0,1|3,0,0]=4 3663 B11R1.28 CSCCNc1ccccc1 f8eb965b60d0615781c928cdcd30bc15 [0,0,0,0,0,1|3,0,0]=4 3664 B11R1.28 CSCCNc1ccccn1 1ebdb7d56171ddc5a7c67867cc88039f [0,0,0,0,0,1|3,0,0]=4 3665 B11R1.28 CSCCNc1cccnc1 5c27e85010b1a349b69a05e89d2c3c43 [0,0,0,0,0,1|3,0,0]=4 3666 B11R1.28 CSCCNc1cccnn1 22d4fb47f31c865b2abde66f85f7bf43 [0,0,0,0,0,1|3,0,0]=4 3667 B11R1.28 CSCCNc1ccncc1 54710d8ef290046b70669623e9f1800b [0,0,0,0,0,1|3,0,0]=4 3668 B11R1.28 CSCCNc1ccncn1 f8b2e77946b95e128c5a8a125ef8b57b [0,0,0,0,0,1|3,0,0]=4 3669 B11R1.28 CSCCNc1cnccn1 9eb52a287cd8fa8fe36dcf6953bf6294 [0,0,0,0,0,1|3,0,0]=4 3670 B11R1.28 CSCCNc1ncccn1 303e31e122c6b1f3f92f1d57b831f4b6 [0,0,0,0,0,1|3,0,0]=4 3671 B11R1.28 CSCCOc1ccccn1 8b8b6f4f12e2bd5052045e36f5e8d7b9 [0,0,0,0,0,1|3,0,0]=4 3672 B11R1.28 CSCCOc1cccnc1 035ac2b2fc138dfaa1d6bea025347e4a [0,0,0,0,0,1|3,0,0]=4 3673 B11R1.28 CSCCOc1ccncc1 bc39eaa4e5a78fcb3ef7ff94e955c20b [0,0,0,0,0,1|3,0,0]=4 3674 B11R1.28 CSCCOc1cnccn1 eddb2cab03b974e07a130b3afd541113 [0,0,0,0,0,1|3,0,0]=4 3675 B11R1.28 CSCCOc1ncccn1 969e2fe1dd37951a51db8df424d75b02 [0,0,0,0,0,1|3,0,0]=4 3676 B11R1.28 CSCNCc1ccccc1 5b3aef5f0ecdedc4b2903ec980e5dc72 [0,0,0,0,0,1|3,0,0]=4 3677 B11R1.28 CSCNCc1ccccn1 2c467e079eb5903cc68e04796a70abe6 [0,0,0,0,0,1|3,0,0]=4 3678 B11R1.28 CSCNCc1cccnc1 3f297bb785f90b40b12fe1a85e9c71ce [0,0,0,0,0,1|3,0,0]=4 3679 B11R1.28 CSCNCc1cccnn1 38a48aae0f10e8a8a408eb551a279969 [0,0,0,0,0,1|3,0,0]=4 3680 B11R1.28 CSCNCc1ccncc1 f9e31be92d2ea3f9692e6bd87f906a5c [0,0,0,0,0,1|3,0,0]=4 3681 B11R1.28 CSCNCc1ccncn1 36701466f9b2ee3aeda97d3f152942e1 [0,0,0,0,0,1|3,0,0]=4 3682 B11R1.28 CSCNCc1cnccn1 b6d98476646f609643b9e079c1ea699d [0,0,0,0,0,1|3,0,0]=4 3683 B11R1.28 CSCNCc1ncccn1 f3cad45c6ccc4f1897c8a82d57c8d736 [0,0,0,0,0,1|3,0,0]=4 3684 B11R1.28 CSCOCc1ccccc1 5941de554d8996d7d45b8f8eee2daf73 [0,0,0,0,0,1|3,0,0]=4 3685 B11R1.28 CSCOCc1ccccn1 15e9634e2b7543dc2be21ac6d26f304b [0,0,0,0,0,1|3,0,0]=4 3686 B11R1.28 CSCOCc1cccnc1 43f679691f8dba66a7e0f36103db118e [0,0,0,0,0,1|3,0,0]=4 3687 B11R1.28 CSCOCc1cccnn1 3db940d669fdd690980d19050429109a [0,0,0,0,0,1|3,0,0]=4 3688 B11R1.28 CSCOCc1ccncc1 11cf6b0bd99fe96e04f2abe6d07a06aa [0,0,0,0,0,1|3,0,0]=4 3689 B11R1.28 CSCOCc1ccncn1 bf53b930b7d63ac46198d267087bd835 [0,0,0,0,0,1|3,0,0]=4 3690 B11R1.28 CSCOCc1cnccn1 06296d91c838cce0a2774d80459318b9 [0,0,0,0,0,1|3,0,0]=4 3691 B11R1.28 CSCOCc1ncccn1 93cf7df7d12e72075e9aeff8278ad111 [0,0,0,0,0,1|3,0,0]=4 3692 B11R1.28 ClCCCNc1ccccc1 b7f587f82b83ca90917a5139ff536b22 [0,0,0,0,0,1|3,0,0]=4 3693 B11R1.28 ClCCCNc1ccccn1 8bdf4144e9a2a7a9c2cc08aafaf861f1 [0,0,0,0,0,1|3,0,0]=4 3694 B11R1.28 ClCCCNc1cccnc1 46d49c887f9c8f9ac001059b66aa76f9 [0,0,0,0,0,1|3,0,0]=4 3695 B11R1.28 ClCCCNc1cccnn1 7cd493fd0307f877c7e0b9f8c8e45189 [0,0,0,0,0,1|3,0,0]=4 3696 B11R1.28 ClCCCNc1ccncc1 970fb2252914a50a867c4051715341da [0,0,0,0,0,1|3,0,0]=4 3697 B11R1.28 ClCCCNc1ccncn1 ac587a599505b071e50f4eebf541374b [0,0,0,0,0,1|3,0,0]=4 3698 B11R1.28 ClCCCNc1cnccn1 95eb107627969ec22a7382f919b06d14 [0,0,0,0,0,1|3,0,0]=4 3699 B11R1.28 FCCCNc1ccccc1 b3f41abfb84c10f658d04a58ad820f46 [0,0,0,0,0,1|3,0,0]=4 3700 B11R1.28 FCCCNc1ccccn1 565f4368802921f33e165ca06a4e0884 [0,0,0,0,0,1|3,0,0]=4 3701 B11R1.28 FCCCNc1cccnc1 bf0c678c727f753f2416107c8fb7c2aa [0,0,0,0,0,1|3,0,0]=4 3702 B11R1.28 FCCCNc1cccnn1 6e324a8fc1244ec41469b42c269ee8ea [0,0,0,0,0,1|3,0,0]=4 3703 B11R1.28 FCCCNc1ccncc1 6a3cdf6587efe4480e7c908186350ce5 [0,0,0,0,0,1|3,0,0]=4 3704 B11R1.28 FCCCNc1ccncn1 caab3b2fd0ac8fd97bd0f3edbbf34bdf [0,0,0,0,0,1|3,0,0]=4 3705 B11R1.28 FCCCNc1cnccn1 89cb41b624fed856de26c1d3c4db977e [0,0,0,0,0,1|3,0,0]=4 3706 B11R1.28 FCCCNc1ncccn1 695e5da76682e4ec67becb120dfc7ae2 [0,0,0,0,0,1|3,0,0]=4 3707 B11R1.28 FCCCOc1ccccn1 cbed731556df3029ce519d57f9054d0b [0,0,0,0,0,1|3,0,0]=4 3708 B11R1.28 FCCCOc1cccnc1 c358cc6076a85c51e04e470481f11a56 [0,0,0,0,0,1|3,0,0]=4 3709 B11R1.28 FCCCOc1ccncc1 df30532896d176c22270c75c82382b5e [0,0,0,0,0,1|3,0,0]=4 3710 B11R1.28 FCCCOc1cnccn1 d7f32d87b8dd0b90afb5b2f6bdc7d145 [0,0,0,0,0,1|3,0,0]=4 3711 B11R1.28 FCCCOc1ncccn1 1e129a3c16af0e941eeb7d1092880417 [0,0,0,0,0,1|3,0,0]=4 3712 B11R1.28 FCCNCc1ccccc1 562ef8707f4288c2162274968d966312 [0,0,0,0,0,1|3,0,0]=4 3713 B11R1.28 FCCNCc1ccccn1 4b02ff9e4d9d7623f6691b060ab82228 [0,0,0,0,0,1|3,0,0]=4 3714 B11R1.28 FCCNCc1cccnc1 baa596bf0364075f3290f4a60a205b9b [0,0,0,0,0,1|3,0,0]=4 3715 B11R1.28 FCCNCc1cccnn1 291a8a98cca567959b610961e1bb604d [0,0,0,0,0,1|3,0,0]=4 3716 B11R1.28 FCCNCc1ccncc1 50b686a8fc08fd5effeaeb333b2ed93d [0,0,0,0,0,1|3,0,0]=4 3717 B11R1.28 FCCNCc1ccncn1 21fdc6280eadc5e509bffdf177e16499 [0,0,0,0,0,1|3,0,0]=4 3718 B11R1.28 FCCNCc1cnccn1 05b253d67f9070c628b10cb53c6f4f1d [0,0,0,0,0,1|3,0,0]=4 3719 B11R1.28 FCCNCc1ncccn1 fe78f71374bafbc7a6b6bbf36a21ea95 [0,0,0,0,0,1|3,0,0]=4 3720 B11R1.28 FCCOCc1ccccc1 d9b83bdc5263ec616987dc5988d5ee5b [0,0,0,0,0,1|3,0,0]=4 3721 B11R1.28 FCCOCc1ccccn1 eeb2239e9027d0ce3a24146b5979566a [0,0,0,0,0,1|3,0,0]=4 3722 B11R1.28 FCCOCc1cccnc1 e02a816ea65f063a58402293132849f2 [0,0,0,0,0,1|3,0,0]=4 3723 B11R1.28 FCCOCc1cccnn1 045349780ec8439f32f3c03fdcbd7c6a [0,0,0,0,0,1|3,0,0]=4 3724 B11R1.28 FCCOCc1ccncc1 14445d664118b43034c3d85510da7389 [0,0,0,0,0,1|3,0,0]=4 3725 B11R1.28 FCCOCc1ccncn1 e7653e1637306c85ddbb0f8377c4534f [0,0,0,0,0,1|3,0,0]=4 3726 B11R1.28 FCCOCc1cnccn1 d58701cb88fb9b58fb6be6651fc4e38c [0,0,0,0,0,1|3,0,0]=4 3727 B11R1.28 FCCOCc1ncccn1 2ffa7486bad59fae35764fd3cd997651 [0,0,0,0,0,1|3,0,0]=4 3728 B11R1.28 FCNCCc1ccccc1 0081f6dcce701ffe77378524f92f490b [0,0,0,0,0,1|3,0,0]=4 3729 B11R1.28 FCNCCc1ccccn1 e15d9eaa28b96f67f0199ee7ab918bb8 [0,0,0,0,0,1|3,0,0]=4 3730 B11R1.28 FCNCCc1cccnc1 ca44ff0aa2770a7476d8fe29ab7de27f [0,0,0,0,0,1|3,0,0]=4 3731 B11R1.28 FCNCCc1ccncc1 534789a7dc9aa58bac25bdd251ebaa53 [0,0,0,0,0,1|3,0,0]=4 3732 B11R1.28 FCNCCc1ccncn1 71d87b99838316558ab41f74e7a6ad39 [0,0,0,0,0,1|3,0,0]=4 3733 B11R1.28 FCNCCc1cnccn1 a6fff95115e37691aedec5697188885d [0,0,0,0,0,1|3,0,0]=4 3734 B11R1.28 FCNCCc1ncccn1 d4c74a64550de3aecd897af5dda17e37 [0,0,0,0,0,1|3,0,0]=4 3735 B11R1.28 FCOCCc1ccccc1 f68582be9a805c98452f747e5a13d902 [0,0,0,0,0,1|3,0,0]=4 3736 B11R1.28 FCOCCc1ccccn1 a87eac3bbe6c96cceb2ad793702bad9f [0,0,0,0,0,1|3,0,0]=4 3737 B11R1.28 FCOCCc1cccnc1 95fb7ccc93ac5365251261a770f3e438 [0,0,0,0,0,1|3,0,0]=4 3738 B11R1.28 FCOCCc1ccncc1 6e5a2cb5c96fa3a2dd4f846c43af9a9a [0,0,0,0,0,1|3,0,0]=4 3739 B11R1.28 FCOCCc1ccncn1 42f65ea3fce13080ce28dc59f0361160 [0,0,0,0,0,1|3,0,0]=4 3740 B11R1.28 FCOCCc1cnccn1 b992c651bab7313204deb41b6e2eb885 [0,0,0,0,0,1|3,0,0]=4 3741 B11R1.28 FCOCCc1ncccn1 b64c0291aeb618931da15052e46cee6a [0,0,0,0,0,1|3,0,0]=4 3742 B11R1.28 ICCNCc1ccccc1 697ca1617b546014ae02b06ad2981d8a [0,0,0,0,0,1|3,0,0]=4 3743 B11R1.28 ICCNCc1ccccn1 33a419599dd52be8486dfb89562c6ffa [0,0,0,0,0,1|3,0,0]=4 3744 B11R1.28 ICCNCc1cccnc1 7ed4e3e46a4c12f8a4c531489f3ab39c [0,0,0,0,0,1|3,0,0]=4 3745 B11R1.28 ICCNCc1cccnn1 a65e7073d95b405ffeccc2df6f5819a9 [0,0,0,0,0,1|3,0,0]=4 3746 B11R1.28 ICCNCc1ccncn1 cb4d0636a2fe5fa6f01a666a20ee081a [0,0,0,0,0,1|3,0,0]=4 3747 B11R1.28 ICCNCc1ncccn1 488d37e468cbbb4c7fd896e124054349 [0,0,0,0,0,1|3,0,0]=4 3748 B11R1.28 OCCCNc1ccccc1 6f65c15387fc952c20110ea29ef53956 [0,0,0,0,0,1|3,0,0]=4 3749 B11R1.28 OCCCNc1ccccn1 587693fe3960ae4ed00c51618661aeab [0,0,0,0,0,1|3,0,0]=4 3750 B11R1.28 OCCCNc1cccnc1 90b07b63ba2da4339e6031d93f7df208 [0,0,0,0,0,1|3,0,0]=4 3751 B11R1.28 OCCCNc1cccnn1 247aa2fcb6c99ae0f56cb06724ac3034 [0,0,0,0,0,1|3,0,0]=4 3752 B11R1.28 OCCCNc1ccncc1 7676a46d9ab85382fda372d12f0ec436 [0,0,0,0,0,1|3,0,0]=4 3753 B11R1.28 OCCCNc1ccncn1 8f8e0fe811bf9371817f728d08c59f5f [0,0,0,0,0,1|3,0,0]=4 3754 B11R1.28 OCCCNc1cnccn1 394ab3fd80b46dcc8203d15389985779 [0,0,0,0,0,1|3,0,0]=4 3755 B11R1.28 OCCCNc1ncccn1 1db3dee2f5e622c36a01a6f642b42373 [0,0,0,0,0,1|3,0,0]=4 3756 B11R1.28 OCCNCc1ccccc1 6075728aab81556d5096d2980e4afa2d [0,0,0,0,0,1|3,0,0]=4 3757 B11R1.28 OCCNCc1ccccn1 aee8d8851b64ae441b47dd7c19255c9b [0,0,0,0,0,1|3,0,0]=4 3758 B11R1.28 OCCNCc1cccnc1 882a81680203d781920d7144e525a6cd [0,0,0,0,0,1|3,0,0]=4 3759 B11R1.28 OCCNCc1cccnn1 e41c460ec8467c13b31f38e40901bc04 [0,0,0,0,0,1|3,0,0]=4 3760 B11R1.28 OCCNCc1ccncc1 9ecc8a72acff6784c82756ff768b065d [0,0,0,0,0,1|3,0,0]=4 3761 B11R1.28 OCCNCc1ccncn1 fef527a9dde408a7b55664eab4f2eb99 [0,0,0,0,0,1|3,0,0]=4 3762 B11R1.28 OCCNCc1cnccn1 2ee89dc8c04206d44948d3c79c8e8f8a [0,0,0,0,0,1|3,0,0]=4 3763 B11R1.28 OCCNCc1ncccn1 34cde4fdd469b9280baca8a787271f1f [0,0,0,0,0,1|3,0,0]=4 3764 B11R1.28 OCNCCc1ccccc1 dba1af705064b03a49f56a10af922b9a [0,0,0,0,0,1|3,0,0]=4 3765 B11R1.28 OCNCCc1ccccn1 870a6b93d6f817d2b7b76ee4a753e49e [0,0,0,0,0,1|3,0,0]=4 3766 B11R1.28 OCNCCc1cccnc1 5a238842d821729331c809bafe95118a [0,0,0,0,0,1|3,0,0]=4 3767 B11R1.28 OCNCCc1ccncc1 d4fdef2a16a1c89c93b39a7d349558eb [0,0,0,0,0,1|3,0,0]=4 3768 B11R1.28 OCNCCc1ccncn1 6744261abdd24d42c96fea72d14f993a [0,0,0,0,0,1|3,0,0]=4 3769 B11R1.28 OCNCCc1cnccn1 f4950c420442047f83981ab203d27aa5 [0,0,0,0,0,1|3,0,0]=4 3770 B11R1.28 OCNCCc1ncccn1 ef945efe9c2fffc4c52fc2c7c7ec1101 [0,0,0,0,0,1|3,0,0]=4 3771 B11R1.28 SCCCNc1ccccc1 0ed9842b503e3cd70fca4624b001f5d8 [0,0,0,0,0,1|3,0,0]=4 3772 B11R1.28 SCCCNc1ccccn1 6e9255137fb1e7130c483b51e209e603 [0,0,0,0,0,1|3,0,0]=4 3773 B11R1.28 SCCCNc1cccnc1 9d7b88e69ec7c6b34ca7771b6e0b91e4 [0,0,0,0,0,1|3,0,0]=4 3774 B11R1.28 SCCCNc1cccnn1 baec61a9713dff8daf3ca7c4cac6b808 [0,0,0,0,0,1|3,0,0]=4 3775 B11R1.28 SCCCNc1ccncc1 ca21b760b7ec316b64d15f3538d2549c [0,0,0,0,0,1|3,0,0]=4 3776 B11R1.28 SCCCNc1ccncn1 840adef22daf6a19933e217bb9a9f500 [0,0,0,0,0,1|3,0,0]=4 3777 B11R1.28 SCCCNc1cnccn1 272fd3f48e11eac14ab86db0420f1e23 [0,0,0,0,0,1|3,0,0]=4 3778 B11R1.28 SCCCNc1ncccn1 06ea00dc6a5489dd4165dd3a53aabc49 [0,0,0,0,0,1|3,0,0]=4 3779 B11R1.28 SCCCOc1ccccn1 a6c411fcae0c9e021a422469b3fdfe87 [0,0,0,0,0,1|3,0,0]=4 3780 B11R1.28 SCCCOc1cccnc1 134743f8f7a869616fe16d61afd2d0e6 [0,0,0,0,0,1|3,0,0]=4 3781 B11R1.28 SCCCOc1ccncc1 e86746acf63686675a8e18fe26221a62 [0,0,0,0,0,1|3,0,0]=4 3782 B11R1.28 SCCCOc1cnccn1 49e064e5a2490e0ef11744b13f45f2e7 [0,0,0,0,0,1|3,0,0]=4 3783 B11R1.28 SCCCOc1ncccn1 51d8883d2c462ce976a6488d9e24f6d0 [0,0,0,0,0,1|3,0,0]=4 3784 B11R1.28 SCCNCc1ccccc1 842b711568e585283783756ca8279842 [0,0,0,0,0,1|3,0,0]=4 3785 B11R1.28 SCCNCc1ccccn1 ace948b27200a431fbd41a7ba53deb87 [0,0,0,0,0,1|3,0,0]=4 3786 B11R1.28 SCCNCc1cccnc1 8ab6cc5726329dc3b917c71b0e8e3a12 [0,0,0,0,0,1|3,0,0]=4 3787 B11R1.28 SCCNCc1cccnn1 b36fb77d560218cb054ebe8a417fefed [0,0,0,0,0,1|3,0,0]=4 3788 B11R1.28 SCCNCc1ccncc1 3b6ef2e293d7e6f2b9cd175d9cbecd46 [0,0,0,0,0,1|3,0,0]=4 3789 B11R1.28 SCCNCc1ccncn1 d0b375d31e920fe44bab2977f5737d48 [0,0,0,0,0,1|3,0,0]=4 3790 B11R1.28 SCCNCc1cnccn1 229e48027f123997f1a159293a108938 [0,0,0,0,0,1|3,0,0]=4 3791 B11R1.28 SCCNCc1ncccn1 6eea8a1d6f1d5c9341f6412e98660e00 [0,0,0,0,0,1|3,0,0]=4 3792 B11R1.28 SCCOCc1ccccc1 ef1d3bfcf77b316513e3e84b7d85c143 [0,0,0,0,0,1|3,0,0]=4 3793 B11R1.28 SCCOCc1ccccn1 922bd68bb819886f081031e9f73951e2 [0,0,0,0,0,1|3,0,0]=4 3794 B11R1.28 SCCOCc1cccnc1 c1c52e309e8814a28fb8d713bda79484 [0,0,0,0,0,1|3,0,0]=4 3795 B11R1.28 SCCOCc1cccnn1 6ff44a6505ccdc24e6801274e14d128b [0,0,0,0,0,1|3,0,0]=4 3796 B11R1.28 SCCOCc1ccncc1 5a71ae8d634b1ad8f983b65a8abfb1e3 [0,0,0,0,0,1|3,0,0]=4 3797 B11R1.28 SCCOCc1ccncn1 fc7035ecc1107a6ac0dd57d9c8565b14 [0,0,0,0,0,1|3,0,0]=4 3798 B11R1.28 SCCOCc1cnccn1 263e375ea74000ad515cd81e03dc4781 [0,0,0,0,0,1|3,0,0]=4 3799 B11R1.28 SCCOCc1ncccn1 164e82fcb3d17b4838dc1f7f9320f31e [0,0,0,0,0,1|3,0,0]=4 3800 B8R0.4 C/C=C/C=C/COCC 48048cc52dfb080561bace8cd1da333e [1,0,1,0,0,0|2,0,0]=4 3801 B8R0.4 C=C/C=C/CCNCC abe888d93c90720b4bafeddab30018c6 [1,0,1,0,0,0|1,0,0]=3 3802 B8R0.4 C=C/C=C/CCNCF 1e65d032365f354a4b51175e978bf93e [1,0,1,0,0,0|2,0,0]=4 3803 B8R0.4 C=C/C=C/CCNCO cc62028f0291dc61382b8a1bf0b8ba53 [1,0,1,0,0,0|2,0,0]=4 3804 B8R0.4 C=CCNCCCCC 011aacf19cd9f1faf70789f3f05aca79 [1,0,1,0,0,0|1,0,1]=4 3805 B8R0.4 C=CCOCCCCC fcddc90e6084facec8d1d12eaaa08ee7 [1,0,1,0,0,0|0,1,1]=4 3806 B8R0.4 CC=CC=CCOCC 6e3d8f43dbdb54d7ac9426c55e4b046b [1,0,1,0,0,0|2,0,0]=4 3807 B8R0.4 CCCOC/C=C/C=O 88e4ab35b9a1c04df8f17a2331d70828 [1,0,1,0,0,0|1,1,0]=4 3808 B8R0.6 C=C(C=O)OCCCC 6ce71ca855175b3f8b8b50951f61cb4c [1,0,1,0,0,0|2,0,0]=4 3809 B8R0.6 C=CC(=O)NCCCC 4c95ec79288c2f88fcb23d3a93f15b5c [1,0,1,0,0,0|1,1,0]=4 3810 B8R1.8 CCNc1cccs1 f92887221cdfe270aa88f70a5b6538c3 [2,0,0,0,0,0|1,0,0]=3 3811 B8R1.8 CCNc1ccns1 2d79a3b4135a06a1b489318190c2601d [2,0,0,0,0,0|2,0,0]=4 3812 B8R1.8 CCNc1cncs1 caf47a09a037d51cb6d8de3ed1ef2cd8 [2,0,0,0,0,0|2,0,0]=4 3813 B8R1.8 CCNc1nccs1 80b16777a8c3f760bbf265ac2cdb6521 [2,0,0,0,0,0|2,0,0]=4 3814 B8R1.8 CCOc1ccco1 e09af78840aa7c50339c3ce236ba2f4c [2,0,0,0,0,0|1,1,0]=4 3815 B8R1.8 CCOc1cccs1 d21292a98c2ee3c1ea9b8b00e074b6ef [2,0,0,0,0,0|1,0,0]=3 3816 B8R1.8 CCOc1nccs1 c7bf9113a012f962fcb198e0f8e767fe [2,0,0,0,0,0|2,0,0]=4 3817 B8R1.8 FCNc1cccs1 5e75f288d43648c29cd49234a17e1a9b [2,0,0,0,0,0|2,0,0]=4 3818 B8R1.8 FCOc1cccs1 5abe6db260cf1bf0ece10764373fe2fd [2,0,0,0,0,0|2,0,0]=4 3819 B8R1.8 OCNc1cccs1 2c9e101236047184adb7524dbc050fa0 [2,0,0,0,0,0|2,0,0]=4 3820 B10R0.1 C/C=C/C(=O)NCCCCC 2f321928cc740d5db12c914a5b6ab6d1 [0,1,1,0,0,0|0,1,1]=4 3821 B10R0.1 C=CCC(=O)NCCCCC 60936a96866426d775857d450c7aa644 [0,1,1,0,0,0|0,1,1]=4 3822 B10R0.1 C=COC(=O)CNCCCC dae1382989b40ea758400263a4cea49d [0,1,1,0,0,0|1,1,0]=4 3823 B10R0.1 C=COC(=O)COCCCC b0f56a6903bffaeb0bb0ceeee20fb975 [0,1,1,0,0,0|1,1,0]=4 3824 B10R0.1 CCCCCNC(=O)/C=C/Br ecb0435aa4ab2463ea90f4a108508e49 [0,1,1,0,0,0|1,1,0]=4 3825 B10R0.1 CCCCCNC(=O)/C=C/Cl 955b6b7e3570e960a539fd062005b989 [0,1,1,0,0,0|1,1,0]=4 3826 B10R0.1 CCCCCNC(=O)/C=C/I 9d744226616ad522003fc9992037fda5 [0,1,1,0,0,0|1,1,0]=4 3827 B10R0.1 CCCCCNC(=O)/C=C\Br a8b87e6dae729d0470517d0b917e3af0 [0,1,1,0,0,0|1,1,0]=4 3828 B10R0.1 CCCCCNC(=O)/C=C\Cl a04be071be8a4f2debb635989d021997 [0,1,1,0,0,0|1,1,0]=4 3829 B10R0.1 CCCCCNC(=O)/C=C\I 3783fb49757e249c404b8c565e3696ea [0,1,1,0,0,0|1,1,0]=4 3830 B10R0.1 CCCCCNC(=O)C=CBr 73a98e1197e9d4f9a1e5c85edaa5cbe8 [0,1,1,0,0,0|1,1,0]=4 3831 B10R0.1 CCCCCNC(=O)C=CI eb1e29e3ea7986611f3db8e1e5282c20 [0,1,1,0,0,0|1,1,0]=4 3832 B10R0.83 C=CC(=O)C(=O)NCCCC 5558c48c193a9e9a16acc1804994e642 [0,1,1,0,0,0|1,1,0]=4 3833 B10R0.83 C=CC(=O)N(C)CCCCC ee513193409d9e3242aba1e7cc9da17f [0,1,1,0,0,0|2,0,0]=4 3834 B10R0.91 C=C/C=C/C(=O)NCCCC 10ab5b019fd666fa7fd5d4798cb4be3a [0,1,1,0,0,0|1,1,0]=4 3835 B10R0.91 C=C/C=C\C(=O)NCCCC c8a18923925d2c2145bb35dcf37ddb4d [0,1,1,0,0,0|1,1,0]=4 3836 B10R0.91 C=CC=CC(=O)NCCCC 20646493048f04a031bdcfa6bf608cd9 [0,1,1,0,0,0|1,1,0]=4 3837 B10R0.4 C/C=C/C=C/COCC(C)C bb914ccb0b11afff65e287f17c04748c [0,1,1,0,0,0|2,0,0]=4 3838 B10R0.4 CC=CC=CCOCC(C)C 7814727135fdb8691dd30a42ea8e97a1 [0,1,1,0,0,0|2,0,0]=4 3839 B10R0.71 C/C=C/C=C/COCCCC 5be7c2b1277a2751ff6b685b75a09aa7 [0,1,1,0,0,0|1,0,0]=3 3840 B10R0.71 C/C=C/C=C/COCCCF 517e388ccc8a69b3c3b788f42f35e0b5 [0,1,1,0,0,0|2,0,0]=4 3841 B10R0.71 C/C=C/C=C/COCCCS 88605be89f61a37c5537d42de9111ec5 [0,1,1,0,0,0|2,0,0]=4 3842 B10R0.71 C/C=C/C=C/COCCOC 09d182365213d814b51c617be63aafcf [0,1,1,0,0,0|2,0,0]=4 3843 B10R0.71 C/C=C/C=C/COCCSC ec2ec57c424865d8f04a31497e5e1709 [0,1,1,0,0,0|2,0,0]=4 3844 B10R0.71 C/C=C/C=C/COCOCC e709fdf8cc680576f78ffda36573d054 [0,1,1,0,0,0|2,0,0]=4 3845 B10R0.71 C=C/C=C/CCNCCCC 7b723689d9dff35eae75be2429e9c7d8 [0,1,1,0,0,0|1,0,1]=4 3846 B10R0.71 CC=CC=CCOCCCC b2db690d4b1d749e1abe5e187adedbf9 [0,1,1,0,0,0|1,0,0]=3 3847 B10R0.71 CC=CC=CCOCCCF e301058a6bb123dacb4663e8390cc1a8 [0,1,1,0,0,0|2,0,0]=4 3848 B10R0.71 CC=CC=CCOCCCS 59699e406486475c037d740ca486c3f0 [0,1,1,0,0,0|2,0,0]=4 3849 B10R0.71 CC=CC=CCOCCOC 39a09f3f320ae5f898ad13e2186ab48e [0,1,1,0,0,0|2,0,0]=4 3850 B10R0.71 CC=CC=CCOCCSC 5eff3cf4aba18dda9a2e518051a746c7 [0,1,1,0,0,0|2,0,0]=4 3851 B10R0.71 CC=CC=CCOCOCC c66b1d730b21c0e0db8cfe55755471fc [0,1,1,0,0,0|2,0,0]=4 3852 B10R0.71 CCCCCOC/C=C/C=O dd701f6f2acb2f0b3775b86bb7a39725 [0,1,1,0,0,0|0,1,1]=4 3853 B10R0.74 C/C=C/C=C/COC(C)CC ff1530e9bc96d34507f829f88f361ab1 [0,1,1,0,0,0|2,0,0]=4 3854 B10R0.74 C=CC(=O)NCCCCCC 88ce4279cd9f4230d78384982723ab15 [0,1,1,0,0,0|1,0,1]=4 3855 B10R0.74 CC=CC=CCOC(C)CC 0a2efb37d824133be0eb09c04aa3689f [0,1,1,0,0,0|2,0,0]=4 3856 B10R0.41 C=CC(C=C)OCCCCC 1b735b156bc2479206f24114f306f2db [0,1,1,0,0,0|1,0,1]=4 3857 B10R1.11 CC(NCF)c1cccs1 538db975b17beb16d09c569873cd1017 [1,1,0,0,0,0|2,0,0]=4 3858 B10R1.11 CC(NCO)c1cccs1 57f1df017ba61f98516629346c2ff8bc [1,1,0,0,0,0|2,0,0]=4 3859 B10R1.11 CC(OCF)c1cccs1 5b9b19dbade8c35451c1c58ea48ca5f8 [1,1,0,0,0,0|2,0,0]=4 3860 B10R1.11 CCCN(C)c1nccs1 8ff271e49b43b3c788542031f83d211b [1,1,0,0,0,0|2,0,0]=4 3861 B10R1.11 CCNC(C)c1ccco1 ee141e1d5a490da9995e04ce24e590f9 [1,1,0,0,0,0|1,1,0]=4 3862 B10R1.11 CCNC(C)c1cccs1 d217c6227164550e2cf27839f17d7b0d [1,1,0,0,0,0|1,0,0]=3 3863 B10R1.11 CCNC(C)c1cncs1 cabba37039317a0db18a02e7e969e8c4 [1,1,0,0,0,0|2,0,0]=4 3864 B10R1.11 CCNC(C)c1nccs1 d0a43af227120fc5ff8aaefd51698545 [1,1,0,0,0,0|2,0,0]=4 3865 B10R1.11 CCN[C@@H](C)c1cccs1 643308288281e4a79a1aad46b2b514f3 [1,1,0,0,0,0|1,0,0]=3 3866 B10R1.11 CCN[C@@H](C)c1cncs1 dd7fdf5f60f581c762093f34544f43db [1,1,0,0,0,0|2,0,0]=4 3867 B10R1.11 CCN[C@@H](C)c1nccs1 3bb0895faeb677d909b68335fb31522e [1,1,0,0,0,0|2,0,0]=4 3868 B10R1.11 CCN[C@H](C)c1ccco1 28eb0d4eaae628536a1bf1f770a877ab [1,1,0,0,0,0|1,1,0]=4 3869 B10R1.11 CCN[C@H](C)c1cccs1 1ca8e8649158371392ad7c6e6ba6e0fd [1,1,0,0,0,0|1,0,0]=3 3870 B10R1.11 CCOC(C)c1ccco1 3bd2b9ad01c83442911e7c1be5d2164d [1,1,0,0,0,0|1,1,0]=4 3871 B10R1.11 CCOC(C)c1cccs1 bdf7829759511c8c50ea2c2aa36d0560 [1,1,0,0,0,0|1,0,0]=3 3872 B10R1.11 CCOC(C)c1cncs1 c56891f8aec97dc2805d20c4a85c5adb [1,1,0,0,0,0|2,0,0]=4 3873 B10R1.11 CCOC(C)c1nccs1 5bbb1f36bb111613b1ba28d717d2e3cb [1,1,0,0,0,0|2,0,0]=4 3874 B10R1.11 CCO[C@@H](C)c1cccs1 83b5158aea0e4d918b99a57a2b105a52 [1,1,0,0,0,0|1,0,0]=3 3875 B10R1.11 CCO[C@@H](C)c1nccs1 8ff02fccb198c1e4467c7f0265d43dac [1,1,0,0,0,0|2,0,0]=4 3876 B10R1.11 CCO[C@H](C)c1ccco1 3c8ceb0e1dd139cd9173630218700cc9 [1,1,0,0,0,0|1,1,0]=4 3877 B10R1.11 CCO[C@H](C)c1cccs1 9c5599ca0a5afb0124dc5c8f4336622b [1,1,0,0,0,0|1,0,0]=3 3878 B10R1.11 CCO[C@H](C)c1nccs1 3d7039b5aa6539e92de371f39cde5a2c [1,1,0,0,0,0|2,0,0]=4 3879 B10R1.11 C[C@@H](NCF)c1cccs1 1c720c02f6baa0f5262fb0f2cb2f15eb [1,1,0,0,0,0|2,0,0]=4 3880 B10R1.11 C[C@@H](NCO)c1cccs1 d8a308363d883f0d052036fc489c8b20 [1,1,0,0,0,0|2,0,0]=4 3881 B10R1.11 C[C@@H](OCF)c1cccs1 bcd98948f5e8dc8098aaeb4e37474db9 [1,1,0,0,0,0|2,0,0]=4 3882 B10R1.11 C[C@H](NCF)c1cccs1 ac6bf8c5071a01ff5d1c8c419011645d [1,1,0,0,0,0|2,0,0]=4 3883 B10R1.11 C[C@H](NCO)c1cccs1 6e24574b17ea4cff857ea41b549a952c [1,1,0,0,0,0|2,0,0]=4 3884 B10R1.11 C[C@H](OCF)c1cccs1 eb659903705b1dadf6a4c506eb098d02 [1,1,0,0,0,0|2,0,0]=4 3885 B10R1.16 CCCNc1cc(ns1)C bbb164f3ed83c03ad56429c23bc24f5f [1,1,0,0,0,0|2,0,0]=4 3886 B10R1.16 CCCNc1ccc(o1)C c15cbb66fc0595155ee50bd4d65f2e30 [1,1,0,0,0,0|1,1,0]=4 3887 B10R1.16 CCCNc1ccc(s1)Br d67cb3d457fa6cf80e3e2c59482f42e5 [1,1,0,0,0,0|1,0,0]=3 3888 B10R1.16 CCCNc1ccc(s1)C 4656c1aca212ab18a8f6085aa267e6ec [1,1,0,0,0,0|1,0,0]=3 3889 B10R1.16 CCCNc1ccc(s1)F 7a6964caf7bc896119cb23f5e06f80e0 [1,1,0,0,0,0|1,0,0]=3 3890 B10R1.16 CCCNc1cnc(s1)Br 3784467c7da33f62d393751dc4c88a84 [1,1,0,0,0,0|2,0,0]=4 3891 B10R1.16 CCCNc1cnc(s1)C d38ad8c0a2694f65091b0caf22f7e1e7 [1,1,0,0,0,0|2,0,0]=4 3892 B10R1.16 CCCNc1cnc(s1)N d2767bca4815eac4509ad115e29487fb [1,1,0,0,0,0|2,0,0]=4 3893 B10R1.16 CCCNc1cnc(s1)S 5cd8123d63e418ff5a00f96b5f02fd8f [1,1,0,0,0,0|2,0,0]=4 3894 B10R1.16 CCCNc1nc(cs1)Br 0d72960bc7d07ecdd949d0f64a55cf7c [1,1,0,0,0,0|2,0,0]=4 3895 B10R1.16 CCCNc1nc(cs1)C 5d5f599ac992ea329125604a11d1c5e3 [1,1,0,0,0,0|2,0,0]=4 3896 B10R1.16 CCCNc1nc(cs1)Cl 83a2cef7d56056acba2d136283a71261 [1,1,0,0,0,0|2,0,0]=4 3897 B10R1.16 CCCNc1ncc(s1)Br f2dc3005a0b53342e38a62d7e3285d09 [1,1,0,0,0,0|2,0,0]=4 3898 B10R1.16 CCCNc1ncc(s1)C 31950a1d02927bfcc9dd7c5535b7f255 [1,1,0,0,0,0|2,0,0]=4 3899 B10R1.16 CCCNc1ncc(s1)Cl dee901f09b33ccf1d860622960c81bbf [1,1,0,0,0,0|2,0,0]=4 3900 B10R1.16 CCCNc1ncc(s1)F 8444277578c07eaeecf5fe358d91639b [1,1,0,0,0,0|2,0,0]=4 3901 B10R1.16 CCCOc1cc(cs1)C 6af96983f61620485453ee6cff89eec5 [1,1,0,0,0,0|1,0,0]=3 3902 B10R1.16 CCCOc1ccc(s1)Br 047f3dff24e1e58ec72e6e3655f722cc [1,1,0,0,0,0|1,0,0]=3 3903 B10R1.16 CCCOc1nc(cs1)Br 7d5e79bdee66bc3c0eeefc8b0d312609 [1,1,0,0,0,0|2,0,0]=4 3904 B10R1.16 CCNCc1cc(c[nH]1)Br 76646da77f051189130f54ffcee40c89 [1,1,0,0,0,0|2,0,0]=4 3905 B10R1.16 CCNCc1cc(co1)C 58c09494a030fd296b651bd5ed8df90b [1,1,0,0,0,0|1,1,0]=4 3906 B10R1.16 CCNCc1cc(cs1)Br 9f9cea4e8b3c873ee0ecb46adff7a6a3 [1,1,0,0,0,0|1,0,0]=3 3907 B10R1.16 CCNCc1cc(cs1)C dbab6bfc215deb5a37f4804c02ee14c6 [1,1,0,0,0,0|1,0,0]=3 3908 B10R1.16 CCNCc1cc(cs1)Cl fa26c9fdbbda03efa1cf3422cce3c686 [1,1,0,0,0,0|1,0,0]=3 3909 B10R1.16 CCNCc1cc(ns1)Br 13e943460c913d3e43c4453502f1b75f [1,1,0,0,0,0|2,0,0]=4 3910 B10R1.16 CCNCc1cc(ns1)C 00cdf05ba2094509b1fadd94ad6f20e3 [1,1,0,0,0,0|2,0,0]=4 3911 B10R1.16 CCNCc1ccc(o1)Br bc69cf8af8c6eedf459de13024a20023 [1,1,0,0,0,0|1,1,0]=4 3912 B10R1.16 CCNCc1ccc(o1)C 16b5b202870b0088f6ce61a25808ad7d [1,1,0,0,0,0|1,1,0]=4 3913 B10R1.16 CCNCc1ccc(s1)Br 1f034ca5ef701eac316ccc0a257fd19b [1,1,0,0,0,0|1,0,0]=3 3914 B10R1.16 CCNCc1ccc(s1)C 633920b9a1ab976873e39a09724124a0 [1,1,0,0,0,0|1,0,0]=3 3915 B10R1.16 CCNCc1ccc(s1)Cl eb5d940bb801b29d0ceead80cf934ae6 [1,1,0,0,0,0|1,0,0]=3 3916 B10R1.16 CCNCc1ccc(s1)F a72152baa87721f1d47a0a4b71cc3760 [1,1,0,0,0,0|1,0,0]=3 3917 B10R1.16 CCNCc1cnc(s1)Br 1b886ec7fca1ccce5d6810bd74316d2a [1,1,0,0,0,0|2,0,0]=4 3918 B10R1.16 CCNCc1cnc(s1)C 5b18afc606aebcb77c9606bab6c116f9 [1,1,0,0,0,0|2,0,0]=4 3919 B10R1.16 CCNCc1cnc(s1)Cl 4b9ecef4cb9221a7adc44ea0878af33a [1,1,0,0,0,0|2,0,0]=4 3920 B10R1.16 CCNCc1nc(cs1)Br ee0e593edb478bc595ab45fb7597afd1 [1,1,0,0,0,0|2,0,0]=4 3921 B10R1.16 CCNCc1nc(cs1)C 12690b819e8ce040f956f660e0fe193c [1,1,0,0,0,0|2,0,0]=4 3922 B10R1.16 CCNCc1nc(cs1)Cl 41995a700b7f3fcd8f8292fcc224da47 [1,1,0,0,0,0|2,0,0]=4 3923 B10R1.16 CCNCc1ncc(s1)C b5bf91cc7d883953828a62dce05dc644 [1,1,0,0,0,0|2,0,0]=4 3924 B10R1.16 CCNCc1ncc(s1)Cl aeb70da727900d964a722537a7b0b5be [1,1,0,0,0,0|2,0,0]=4 3925 B10R1.16 CCOCc1cc(co1)Br 488d484e666bbb5ae0db450dbc11796e [1,1,0,0,0,0|1,1,0]=4 3926 B10R1.16 CCOCc1cc(cs1)Br 5c550eeaf146240dd4a6f311ffbdec3b [1,1,0,0,0,0|1,0,0]=3 3927 B10R1.16 CCOCc1cc(cs1)C ef178c85c6f61e99838f3722990323ba [1,1,0,0,0,0|1,0,0]=3 3928 B10R1.16 CCOCc1cc(cs1)Cl 19caaaf05436b8667c2172f188e1dcb4 [1,1,0,0,0,0|1,0,0]=3 3929 B10R1.16 CCOCc1ccc(o1)Br 9782731d1ae87bec8e3774d5ccde32bc [1,1,0,0,0,0|1,1,0]=4 3930 B10R1.16 CCOCc1ccc(o1)C 7cf8410aa18fcbf976c33b2a6864e0bc [1,1,0,0,0,0|1,1,0]=4 3931 B10R1.16 CCOCc1ccc(s1)C 740ed4a0b292010289640c9d52c76cdf [1,1,0,0,0,0|1,0,0]=3 3932 B10R1.16 CCOCc1ccc(s1)Cl 273e39c7d162d5b650c0de66fd1919d8 [1,1,0,0,0,0|1,0,0]=3 3933 B10R1.16 CCOCc1ccc(s1)F 2123043b331712dae23230fd8878861c [1,1,0,0,0,0|1,0,0]=3 3934 B10R1.16 CCOCc1cnc(s1)Br 0fc79241a4037f175f6a2b2647d28ece [1,1,0,0,0,0|2,0,0]=4 3935 B10R1.16 CCOCc1cnc(s1)C f443261939663385ca0e1fe92c85ce5b [1,1,0,0,0,0|2,0,0]=4 3936 B10R1.16 CCOCc1nc(cs1)Br 3d253ac8f1fd3e6e3404425d45da0b4c [1,1,0,0,0,0|2,0,0]=4 3937 B10R1.16 CCOCc1nc(cs1)C 17ba16f974da6cc3779f43159fa9199e [1,1,0,0,0,0|2,0,0]=4 3938 B10R1.16 CCOCc1ncc(s1)Br ab2b4786dbf8ade727674a410feeb592 [1,1,0,0,0,0|2,0,0]=4 3939 B10R1.16 CCOCc1ncc(s1)C d155f5b497c5d2e4fbc282330bd76d6d [1,1,0,0,0,0|2,0,0]=4 3940 B10R1.16 CCOCc1ncc(s1)Cl d1c870bea50fd2d2f3c8a679bc872ca1 [1,1,0,0,0,0|2,0,0]=4 3941 B10R1.16 COCNc1ccc(s1)Br 0f565c8a38f0c97c349f31cbf3f243e9 [1,1,0,0,0,0|2,0,0]=4 3942 B10R1.16 COCNc1ccc(s1)C 0d400194d1ff72f419596482873fbaac [1,1,0,0,0,0|2,0,0]=4 3943 B10R1.16 COCOc1cc(cs1)C fcb9a730d266f881ad3036a278dc5505 [1,1,0,0,0,0|2,0,0]=4 3944 B10R1.16 COCOc1ccc(s1)Br ae909183b85c49b85b2aee55c741dd92 [1,1,0,0,0,0|2,0,0]=4 3945 B10R1.16 CSCNc1ccc(s1)Br c3432c7c53aac6beec6d6f0996a180c6 [1,1,0,0,0,0|2,0,0]=4 3946 B10R1.16 CSCNc1ccc(s1)C d8b40ddcb9477b1637a2995cbfb2b9e4 [1,1,0,0,0,0|2,0,0]=4 3947 B10R1.16 CSCOc1cc(cs1)C f9ebb5abb987b03b4853e3c8aa56fa17 [1,1,0,0,0,0|2,0,0]=4 3948 B10R1.16 CSCOc1ccc(s1)Br 6a98c46e6f1c9c8a8f13dfa0e8f6ee89 [1,1,0,0,0,0|2,0,0]=4 3949 B10R1.16 Cc1ccc(s1)CNCF d732555511adaee19febcdf5c9f101e4 [1,1,0,0,0,0|2,0,0]=4 3950 B10R1.16 Cc1ccc(s1)CNCO df761bf9bd328a42f412210e8a880891 [1,1,0,0,0,0|2,0,0]=4 3951 B10R1.16 Cc1ccc(s1)COCF 24d72e0e355ae20dc2513d65b0a4cbac [1,1,0,0,0,0|2,0,0]=4 3952 B10R1.16 Cc1ccc(s1)NCCBr 33efa11da603da2ff40279a5fb78f91a [1,1,0,0,0,0|2,0,0]=4 3953 B10R1.16 Cc1ccc(s1)NCCF 9fbb467bc913f765f4cbdd0dfe1fb7e8 [1,1,0,0,0,0|2,0,0]=4 3954 B10R1.16 Cc1ccc(s1)NCCI 648c5b76dc7fbae52fa02300e76c3adc [1,1,0,0,0,0|2,0,0]=4 3955 B10R1.16 Cc1ccc(s1)NCCO b598b8743faf9a1bd4b2c6b438995125 [1,1,0,0,0,0|2,0,0]=4 3956 B10R1.16 Cc1ccc(s1)NCCS 7dc3b9341a6d6aed26abaf03484b6ee0 [1,1,0,0,0,0|2,0,0]=4 3957 B10R1.16 Cc1csc(c1)CNCF dcf0cdcd942ff140cdb186a57beb6da6 [1,1,0,0,0,0|2,0,0]=4 3958 B10R1.16 Cc1csc(c1)CNCO 2079db41cb1b3c0fb4eedffcef768984 [1,1,0,0,0,0|2,0,0]=4 3959 B10R1.16 Cc1csc(c1)COCF cae8b1ddcb91b33f4770c40eb2054fdc [1,1,0,0,0,0|2,0,0]=4 3960 B10R1.16 Cc1csc(c1)OCCF 459c5b5588a6d7b0a255bd6a3d449894 [1,1,0,0,0,0|2,0,0]=4 3961 B10R1.16 Cc1csc(c1)OCCS e51bcc800e6bdf010275c7858d4e3f69 [1,1,0,0,0,0|2,0,0]=4 3962 B10R1.16 FCCNc1ccc(s1)Br ac2b168aa6d43f15734a16f9d26502fc [1,1,0,0,0,0|2,0,0]=4 3963 B10R1.16 FCCNc1ccc(s1)F effb4c6ad13e84018ffc8ad879007d4f [1,1,0,0,0,0|2,0,0]=4 3964 B10R1.16 FCCOc1ccc(s1)Br 068bcb5c48150835b4e4652895a72de2 [1,1,0,0,0,0|2,0,0]=4 3965 B10R1.16 FCNCc1cc(cs1)Br 309f3020132fe7ad126bec1cb6d5cc02 [1,1,0,0,0,0|2,0,0]=4 3966 B10R1.16 FCNCc1ccc(s1)Cl 050845d05406ae831315eb52a5ec3510 [1,1,0,0,0,0|2,0,0]=4 3967 B10R1.16 FCNCc1ccc(s1)F c903cc5d02f4ca4d60b0f9841874d299 [1,1,0,0,0,0|2,0,0]=4 3968 B10R1.16 FCOCc1cc(cs1)Br 6332904d215b5ecfc50b670586fc74dc [1,1,0,0,0,0|2,0,0]=4 3969 B10R1.16 FCOCc1cc(cs1)Cl 246f77a253a13b6c8532211ac41478b9 [1,1,0,0,0,0|2,0,0]=4 3970 B10R1.16 FCOCc1ccc(s1)Br d4f5a1571dd5d133b0edfd90a778ea0d [1,1,0,0,0,0|2,0,0]=4 3971 B10R1.16 FCOCc1ccc(s1)Cl e6a695fbf6eb79ea63a630a6fb8d2015 [1,1,0,0,0,0|2,0,0]=4 3972 B10R1.16 FCOCc1ccc(s1)F a0a8015ed743e4d11b548baad55c2b40 [1,1,0,0,0,0|2,0,0]=4 3973 B10R1.16 Fc1ccc(s1)NCCBr 3561178718affc10be579fbd85c43f7c [1,1,0,0,0,0|2,0,0]=4 3974 B10R1.16 Fc1ccc(s1)NCCI 6969cbd0a9940648648d4b43afc03eeb [1,1,0,0,0,0|2,0,0]=4 3975 B10R1.16 Fc1ccc(s1)NCCS 65bc0780a6227ef15898391fbf94faa8 [1,1,0,0,0,0|2,0,0]=4 3976 B10R1.16 OCCNc1ccc(s1)Br f7d5a0c35da5629777219d236ed0c3cf [1,1,0,0,0,0|2,0,0]=4 3977 B10R1.16 OCCNc1ccc(s1)F a10a239aa1b4aeb80cdd1d25606d2a37 [1,1,0,0,0,0|2,0,0]=4 3978 B10R1.16 OCNCc1cc(cs1)Br 5d1d413ffc07e57dec1ff88ee6791bf2 [1,1,0,0,0,0|2,0,0]=4 3979 B10R1.16 OCNCc1cc(cs1)Cl 4cf3e0562e22c0bfb6f1a90d357197f0 [1,1,0,0,0,0|2,0,0]=4 3980 B10R1.16 OCNCc1ccc(s1)Br 228654157caa9f1e510203fea88c980d [1,1,0,0,0,0|2,0,0]=4 3981 B10R1.16 OCNCc1ccc(s1)Cl a536ae2dfd77bc428fb4ed4b4fc5b317 [1,1,0,0,0,0|2,0,0]=4 3982 B10R1.16 OCNCc1ccc(s1)F 1b50af2da11a75aa7e9b2aa950182c4a [1,1,0,0,0,0|2,0,0]=4 3983 B10R1.16 SCCNc1ccc(s1)Br a78733702614bd0d7a5773c5c49eb041 [1,1,0,0,0,0|2,0,0]=4 3984 B10R1.16 SCCOc1ccc(s1)Br bc917cb378d7bb1da544e75925a44c61 [1,1,0,0,0,0|2,0,0]=4 3985 B10R1.27 CCC(=O)Nc1cccs1 f50607963147f2d3b2fa22a860c7bc5f [1,1,0,0,0,0|1,0,1]=4 3986 B10R1.27 CCC(C)Nc1ccns1 06b03268348cafc8cda8651b0dc84600 [1,1,0,0,0,0|2,0,0]=4 3987 B10R1.27 CCC(C)Nc1nccs1 14d585ec4dbfab69000ae73fa3ea4f85 [1,1,0,0,0,0|2,0,0]=4 3988 B10R1.27 CCC(C)Oc1ccco1 d0beb7fde6d54ae64363161825c47c35 [1,1,0,0,0,0|1,1,0]=4 3989 B10R1.27 CCC(C)Oc1cccs1 3541fcdf455861cca5d3a82e83b56fc2 [1,1,0,0,0,0|1,0,0]=3 3990 B10R1.27 CCC(C)Oc1nccs1 552d81292af32750494a1fa49e5bd981 [1,1,0,0,0,0|2,0,0]=4 3991 B10R1.27 CCN(C)Cc1ccc[nH]1 e347aa0aab5f8b91131036b76761899f [1,1,0,0,0,0|2,0,0]=4 3992 B10R1.27 CCN(C)Cc1ccco1 76ba84af7af62748e537e57011bb5102 [1,1,0,0,0,0|1,1,0]=4 3993 B10R1.27 CCN(C)Cc1cccs1 5856368746510a7217772fc0f20fa2c2 [1,1,0,0,0,0|1,0,0]=3 3994 B10R1.27 CCN(C)Cc1nccs1 83da24133995872d4de5fd709f9e84fb [1,1,0,0,0,0|2,0,0]=4 3995 B10R1.27 CC[C@@H](C)Nc1ccns1 54df8c9edf490c0ca98b4518811bd68a [1,1,0,0,0,0|2,0,0]=4 3996 B10R1.27 CC[C@@H](C)Nc1nccs1 bd90c5ea462b27161ef27a60e27ab6aa [1,1,0,0,0,0|2,0,0]=4 3997 B10R1.27 CC[C@H](C)Nc1ccns1 914985381b44fe0dd82aa68a592147bd [1,1,0,0,0,0|2,0,0]=4 3998 B10R1.27 CC[C@H](C)Nc1nccs1 438f0d8e3c7d2f6718abcfb5a0246117 [1,1,0,0,0,0|2,0,0]=4 3999 B10R1.27 CN(CO)Cc1cccs1 a40c7fb2047d4e6a583417f484ade9f5 [1,1,0,0,0,0|2,0,0]=4 4000 B10R1.29 CCCNc1scnc1C 8ea9fcb5aa8469e9b9552a4f260d83dd [1,1,0,0,0,0|2,0,0]=4 4001 B10R1.29 CCCOc1cccn1C 77a3a251f2ad5d72ac49e0d4902500cc [1,1,0,0,0,0|2,0,0]=4 4002 B10R1.29 CCNCc1cccn1C a3f78601a8618e748bd2602282aac7da [1,1,0,0,0,0|2,0,0]=4 4003 B10R1.29 CCNCc1occc1C 9ef238004378a81a0f74d5a2034266a3 [1,1,0,0,0,0|1,1,0]=4 4004 B10R1.29 CCNCc1sccc1Cl f49871b4cf667255cdeb6dcff922461b [1,1,0,0,0,0|1,0,0]=3 4005 B10R1.29 CCNCc1sccc1F ab368184a4e0fe6fd349be18a1c40dcb [1,1,0,0,0,0|1,0,0]=3 4006 B10R1.29 CCNCc1scnc1Br 1e49b52b78482f108d467746f4f3283b [1,1,0,0,0,0|2,0,0]=4 4007 B10R1.29 CCNCc1scnc1C 9204d7565d57b0e0bb5537f7bf04b137 [1,1,0,0,0,0|2,0,0]=4 4008 B10R1.29 CCOCc1cccn1C 2d386258374afb1495708506babe71b0 [1,1,0,0,0,0|2,0,0]=4 4009 B10R1.29 CCOCc1occc1Br 091ac4b360c592cc4f7db4a049ac0a99 [1,1,0,0,0,0|1,1,0]=4 4010 B10R1.29 CCOCc1occc1C e7df444d3db70c6d7ce1aeb39d71e1ae [1,1,0,0,0,0|1,1,0]=4 4011 B10R1.29 CCOCc1sccc1C 928528f7c346be07c81d918139c5ea3e [1,1,0,0,0,0|1,0,0]=3 4012 B10R1.29 CCOCc1sccc1Cl f1a6b399714310adf358afa7a2f0e9d6 [1,1,0,0,0,0|1,0,0]=3 4013 B10R1.29 CCOCc1sccc1F c318c2baa23b667c6c94321ee13cd20c [1,1,0,0,0,0|1,0,0]=3 4014 B10R1.29 CCOCc1scnc1Br c74b3983e9b8e0903e9641d9202d7326 [1,1,0,0,0,0|2,0,0]=4 4015 B10R1.29 CCOCc1scnc1C 08fbb584585273c03ccb3fc3c54d5a67 [1,1,0,0,0,0|2,0,0]=4 4016 B10R1.29 CCOCc1scnc1Cl eb2d8e57dca2907a8f5c1bc4885bbd70 [1,1,0,0,0,0|2,0,0]=4 4017 B10R1.29 CCOCc1sncc1Br a74343017452c9306744a1f84c671400 [1,1,0,0,0,0|2,0,0]=4 4018 B10R1.29 Cc1ccsc1COCF 8bd384f9c0495488683fd6c5d33cbce1 [1,1,0,0,0,0|2,0,0]=4 4019 B10R1.29 Cc1ccsc1NCCO 49a32e43bb25c1beeffaf1c7a3ba2439 [1,1,0,0,0,0|2,0,0]=4 4020 B10R1.29 Cc1ccsc1NCCS cc49c8382ba84bd72f8bedd3ab2903ab [1,1,0,0,0,0|2,0,0]=4 4021 B10R1.29 FCNCc1sccc1Cl a830839c49bdf27be3956dc3b3a7b591 [1,1,0,0,0,0|2,0,0]=4 4022 B10R1.29 FCNCc1sccc1F 31669fe5ce8cb4bed183fee3f8ece114 [1,1,0,0,0,0|2,0,0]=4 4023 B10R1.29 FCOCc1sccc1Cl 282ccab1e970ff62220453ce70175452 [1,1,0,0,0,0|2,0,0]=4 4024 B10R1.29 FCOCc1sccc1F de9a0aa5a49c03e683eeedff3c47d02e [1,1,0,0,0,0|2,0,0]=4 4025 B10R1.29 OCNCc1sccc1Br 3c3ebd02cdf6fedc08a880a1d6c85417 [1,1,0,0,0,0|2,0,0]=4 4026 B10R1.29 OCNCc1sccc1Cl 7be4dfc982a65581b6d36aa70ab20278 [1,1,0,0,0,0|2,0,0]=4 4027 B10R1.29 OCNCc1sccc1F bf7c7f8ff7b45f0365a70f93453847d6 [1,1,0,0,0,0|2,0,0]=4 4028 B10R1.66 C=C(C)CNc1cccs1 d16c7a810bce5bfe2c251346fc272f1b [1,1,0,0,0,0|1,0,1]=4 4029 B10R1.66 C=C(C)COc1cccs1 ba490c6192f94efd35b9a3807f014ce8 [1,1,0,0,0,0|1,0,1]=4 4030 B10R1.66 CC(=O)CNc1cccs1 cd83157d86433e62c17b868e5fb1470c [1,1,0,0,0,0|1,0,1]=4 4031 B10R1.66 CC(=O)NCc1cccs1 f628a56aae62b1b399cb045563e5a584 [1,1,0,0,0,0|1,0,1]=4 4032 B10R1.66 CC(C)CNc1cccs1 67dcb3c9cca955e96d2162e1f77ad9d3 [1,1,0,0,0,0|1,0,0]=3 4033 B10R1.66 CC(C)CNc1ccns1 2b5f6f1887d9e5decd9620245fa92d0f [1,1,0,0,0,0|2,0,0]=4 4034 B10R1.66 CC(C)CNc1cncs1 1675bf6cd829f5bf1a63ea5f5545bb1e [1,1,0,0,0,0|2,0,0]=4 4035 B10R1.66 CC(C)CNc1nccs1 57d5b8e82d624238ba5df3d643c93ee0 [1,1,0,0,0,0|2,0,0]=4 4036 B10R1.66 CC(C)COc1ccco1 9a23c54afcd88900faea26a95d44c122 [1,1,0,0,0,0|1,1,0]=4 4037 B10R1.66 CC(C)COc1cccs1 c3a2875732f90e39bc97fc0388c7ee98 [1,1,0,0,0,0|1,0,0]=3 4038 B10R1.66 CC(C)COc1nccs1 c7d517a6b08e547f6b5f0267e322a342 [1,1,0,0,0,0|2,0,0]=4 4039 B10R1.66 CC(C)NCc1ccc[nH]1 c8f8c41b508c6a9e408dd2699920d8e8 [1,1,0,0,0,0|2,0,0]=4 4040 B10R1.66 CC(C)NCc1ccco1 e2693f4935da627db7fd450f0265afc1 [1,1,0,0,0,0|1,1,0]=4 4041 B10R1.66 CC(C)NCc1cccs1 542111b118739a23c6a7d49f5267f947 [1,1,0,0,0,0|1,0,0]=3 4042 B10R1.66 CC(C)NCc1ccns1 ed0eaa425454acad8002007a3281c2af [1,1,0,0,0,0|2,0,0]=4 4043 B10R1.66 CC(C)NCc1nccs1 7272277e9a113ee164cab07bdaebf83d [1,1,0,0,0,0|2,0,0]=4 4044 B10R1.66 CC(C)OCc1ccc[nH]1 4dddb07a03dc24f89786ddb418b6d01e [1,1,0,0,0,0|2,0,0]=4 4045 B10R1.66 CC(C)OCc1ccco1 e50c3d4d785de91a25589c3a50142414 [1,1,0,0,0,0|1,1,0]=4 4046 B10R1.66 CC(C)OCc1cccs1 3e503778417dd68d76dc700a03f16b0b [1,1,0,0,0,0|1,0,0]=3 4047 B10R1.66 CC(C)OCc1ccns1 974609377e43674cd300fd1034a4af96 [1,1,0,0,0,0|2,0,0]=4 4048 B10R1.66 CC(C)OCc1nccs1 66f5cc0d46db91ea6d4f583edb5d25ae [1,1,0,0,0,0|2,0,0]=4 4049 B10R1.66 CC(O)CNc1cccs1 60380a00e499cd7119533a566202f141 [1,1,0,0,0,0|1,0,0]=3 4050 B10R1.66 CC(O)CNc1ccns1 2e3a4fe0c5f370c37dbe9fdb2b500b6b [1,1,0,0,0,0|2,0,0]=4 4051 B10R1.66 CC(O)CNc1cncs1 527df7bc8c01cd78e946898e99807fb8 [1,1,0,0,0,0|2,0,0]=4 4052 B10R1.66 CC(O)CNc1nccs1 00b56e817f0000f48a9dbb7b78e2a2b9 [1,1,0,0,0,0|2,0,0]=4 4053 B10R1.66 CN(C)CNc1cccs1 1db9893a6be0ea1f86189cedbd2651f7 [1,1,0,0,0,0|2,0,0]=4 4054 B10R1.66 CN(C)COc1cccs1 472a5768d76a502b4b28d9b6da597a58 [1,1,0,0,0,0|2,0,0]=4 4055 B10R1.66 C[C@@H](O)CNc1ccns1 ec62a2b5da1a9a3b0ea19a5844572dd2 [1,1,0,0,0,0|2,0,0]=4 4056 B10R1.66 C[C@@H](O)CNc1nccs1 81acd9a7ce0c73493f489bca1a71a310 [1,1,0,0,0,0|2,0,0]=4 4057 B10R1.66 C[C@H](O)CNc1cccs1 50770c2e03ac9b3dc06cb895694b0084 [1,1,0,0,0,0|1,0,0]=3 4058 B10R1.66 C[C@H](O)CNc1ccns1 aa6e4e12fa8afb63ab13fe820d70be5d [1,1,0,0,0,0|2,0,0]=4 4059 B10R1.66 C[C@H](O)CNc1cncs1 51fe0070914369f516ff9d72cf160f25 [1,1,0,0,0,0|2,0,0]=4 4060 B10R1.66 C[C@H](O)CNc1nccs1 f960205417890178f2361a8d894134f2 [1,1,0,0,0,0|2,0,0]=4 4061 B10R1.66 FC(F)CNc1cccs1 4940916b85e8060334fc3aae28f757e1 [1,1,0,0,0,0|2,0,0]=4 4062 B10R1.66 FC(F)COc1cccs1 1ff0f1f1897a4d53a72e991cd954837b [1,1,0,0,0,0|2,0,0]=4 4063 B12R1.1 CCCCNc1c[nH]c(=S)cn1 1133b3203a4d04333d3dce974b0a7fde [0,1,0,0,0,1|2,0,0]=4 4064 B12R1.1 CCCCNc1ccc(=O)[nH]c1 02a79ca1969806667926017962f8be99 [0,1,0,0,0,1|2,0,0]=4 4065 B12R1.1 CCCCNc1ccc(cc1)Br e89341169cbc44b59d16faec024cd1cb [0,1,0,0,0,1|2,0,0]=4 4066 B12R1.1 CCCCNc1ccc(cc1)C 0509e0e75b6937a8ea7e0f62aa8886c7 [0,1,0,0,0,1|2,0,0]=4 4067 B12R1.1 CCCCNc1ccc(cc1)Cl 1775dd898ae9be4c4106930801b27a2f [0,1,0,0,0,1|2,0,0]=4 4068 B12R1.1 CCCCNc1ccc(cc1)F 205012603421f378155c17b633b33114 [0,1,0,0,0,1|2,0,0]=4 4069 B12R1.1 CCCCNc1ccc(cc1)I 92f4d6d08bf3c52ef14290fb1084639a [0,1,0,0,0,1|2,0,0]=4 4070 B12R1.1 CCCCNc1ccc(cc1)S 74533acd090bd71f2b34f5065040b599 [0,1,0,0,0,1|2,0,0]=4 4071 B12R1.1 CCCCNc1ccc(cn1)Br 2147d0487acab31419a643db0484fa62 [0,1,0,0,0,1|2,0,0]=4 4072 B12R1.1 CCCCNc1ccc(cn1)C 998adba6fba82ff0970d6030353c7365 [0,1,0,0,0,1|2,0,0]=4 4073 B12R1.1 CCCCNc1ccc(cn1)Cl 042111bb41580bf256eb9f12ba97b780 [0,1,0,0,0,1|2,0,0]=4 4074 B12R1.1 CCCCNc1ccc(cn1)F 746733710bba02fd4d704c1e085b8b50 [0,1,0,0,0,1|2,0,0]=4 4075 B12R1.1 CCCCNc1ccc(cn1)I 0047bdc6626e6145afb77fb61f2e6165 [0,1,0,0,0,1|2,0,0]=4 4076 B12R1.1 CCCCNc1ccc(nc1)Br 03175bcde4b54162bbf246fba10395a8 [0,1,0,0,0,1|2,0,0]=4 4077 B12R1.1 CCCCNc1ccc(nc1)C cfc8492ab8a121a11fbcba16a1747a17 [0,1,0,0,0,1|2,0,0]=4 4078 B12R1.1 CCCCNc1ccc(nc1)Cl 571e53e10e8cb1d62f214726f101dfe1 [0,1,0,0,0,1|2,0,0]=4 4079 B12R1.1 CCCCNc1ccc(nc1)F 0b3ebaf1b1b3f43bf02ddb3b8b9cba97 [0,1,0,0,0,1|2,0,0]=4 4080 B12R1.1 CCCCNc1ccc(nc1)I 7c29fa746193ba14b69f78a98be6bb00 [0,1,0,0,0,1|2,0,0]=4 4081 B12R1.1 CCCCNc1ccc(nn1)Br a9fff27580e3f9c250b070a9d2c0f643 [0,1,0,0,0,1|2,0,0]=4 4082 B12R1.1 CCCCNc1ccc(nn1)C 819abe29a7c4500598eeef7c83e21a92 [0,1,0,0,0,1|2,0,0]=4 4083 B12R1.1 CCCCNc1ccc(nn1)Cl c9222429e6cb0ff831e8f87dd11d9fdf [0,1,0,0,0,1|2,0,0]=4 4084 B12R1.1 CCCCNc1ccc(nn1)F 150c24be939eed0ba44211f762e92e7a [0,1,0,0,0,1|2,0,0]=4 4085 B12R1.1 CCCCNc1ccc(nn1)I b6b38c916f5f85c1b58c423a55b0726d [0,1,0,0,0,1|2,0,0]=4 4086 B12R1.1 CCCCNc1cnc(cn1)Br 41fe0f7f31b11310e49c6dbdc8815dd4 [0,1,0,0,0,1|2,0,0]=4 4087 B12R1.1 CCCCNc1cnc(cn1)C 663cb1c7a5d345d60d5955959a6543ae [0,1,0,0,0,1|2,0,0]=4 4088 B12R1.1 CCCCNc1cnc(cn1)Cl deff7c8c7e3730185ab2e81190bbc78c [0,1,0,0,0,1|2,0,0]=4 4089 B12R1.1 CCCCNc1cnc(cn1)I 4e7d3e0844167e9e530327b38ec40316 [0,1,0,0,0,1|2,0,0]=4 4090 B12R1.1 CCCCNc1ncc(cn1)Br 833393a284c1213b7acec9dab263e214 [0,1,0,0,0,1|2,0,0]=4 4091 B12R1.1 CCCCNc1ncc(cn1)C b03d44a2bfb33db118c05d33cb078f28 [0,1,0,0,0,1|2,0,0]=4 4092 B12R1.1 CCCCNc1ncc(cn1)Cl 25dc60ea50f3ff63edc31b4f08a3ec28 [0,1,0,0,0,1|2,0,0]=4 4093 B12R1.1 CCCCNc1ncc(cn1)F e8b9288b9f16f8f1d0d16594f64e7666 [0,1,0,0,0,1|2,0,0]=4 4094 B12R1.1 CCCCNc1ncc(cn1)I 75e954aaf51a5a4150081b234c4cd3fb [0,1,0,0,0,1|2,0,0]=4 4095 B12R1.1 CCCCOc1ccc(cc1)Br 8eb0c018af7c0260ba3c2a30117b04a8 [0,1,0,0,0,1|2,0,0]=4 4096 B12R1.1 CCCCOc1ccc(cc1)C 279c306997ac21401db621e075a1234e [0,1,0,0,0,1|2,0,0]=4 4097 B12R1.1 CCCCOc1ccc(cc1)Cl 7d5544a2fd61c6804d0b5f9a5dcaff5e [0,1,0,0,0,1|2,0,0]=4 4098 B12R1.1 CCCCOc1ccc(cc1)F 267efa67a22e96e8517f1d16b28b6cda [0,1,0,0,0,1|2,0,0]=4 4099 B12R1.1 CCCCOc1ccc(cc1)I 576e978d44aba041bf60b2e8c0ca77dc [0,1,0,0,0,1|2,0,0]=4 4100 B12R1.1 CCCCOc1ccc(cc1)S 32b0d10568509e9aba7b8b876a1dcd97 [0,1,0,0,0,1|2,0,0]=4 4101 B12R1.1 CCCCOc1ccc(cn1)C 73f80a64d75c76f1625ecd7b6bf60afd [0,1,0,0,0,1|2,0,0]=4 4102 B12R1.1 CCCCOc1ccc(cn1)Cl 2f3f36b0755b6968d932427b919a5191 [0,1,0,0,0,1|2,0,0]=4 4103 B12R1.1 CCCCOc1ccc(cn1)F 714f99d2bf60a4e198c8d7fc7d3992d6 [0,1,0,0,0,1|2,0,0]=4 4104 B12R1.1 CCCCOc1ccc(cn1)I 7a11f6fcbd5b72cfe1708e440ade4c11 [0,1,0,0,0,1|2,0,0]=4 4105 B12R1.1 CCCCOc1ccc(nc1)Br edb7642f5597a5dbfa6d9f7163f9d53f [0,1,0,0,0,1|2,0,0]=4 4106 B12R1.1 CCCCOc1ccc(nc1)C 4c062804bd5d363b81cb36e3fd4cfb06 [0,1,0,0,0,1|2,0,0]=4 4107 B12R1.1 CCCCOc1ccc(nc1)Cl 0bc8dbabaffb09d392f3692c89f0a74d [0,1,0,0,0,1|2,0,0]=4 4108 B12R1.1 CCCCOc1ccc(nc1)F 3a0976877ce97243ef82f159d6a097b4 [0,1,0,0,0,1|2,0,0]=4 4109 B12R1.1 CCCCOc1ccc(nc1)I 8140092992cfe9c6902291788a1266f6 [0,1,0,0,0,1|2,0,0]=4 4110 B12R1.1 CCCCOc1ccc(nn1)Br 25379e0e46fb781ebc35280e9f275b88 [0,1,0,0,0,1|2,0,0]=4 4111 B12R1.1 CCCCOc1ccc(nn1)C 3a6df5dd384d7741ccac0f09303c9283 [0,1,0,0,0,1|2,0,0]=4 4112 B12R1.1 CCCCOc1ccc(nn1)Cl 69a3577748fb4f9d7650779cec66c9f2 [0,1,0,0,0,1|2,0,0]=4 4113 B12R1.1 CCCCOc1cnc(cn1)Br e6d979271a06f2918910f0256cc66d18 [0,1,0,0,0,1|2,0,0]=4 4114 B12R1.1 CCCCOc1cnc(cn1)C b914438215cb663022695dcf37a28483 [0,1,0,0,0,1|2,0,0]=4 4115 B12R1.1 CCCCOc1cnc(cn1)Cl d1125062e03d26363325a01d948de039 [0,1,0,0,0,1|2,0,0]=4 4116 B12R1.1 CCCCOc1cnc(cn1)I 4b4dee80b48e86334558d52d60cb98b6 [0,1,0,0,0,1|2,0,0]=4 4117 B12R1.1 CCCCOc1ncc(cn1)Br 3c493d1c03b8f664f2a415080795496a [0,1,0,0,0,1|2,0,0]=4 4118 B12R1.1 CCCCOc1ncc(cn1)C b501cf9e5163e798de4cbe09406c7fb4 [0,1,0,0,0,1|2,0,0]=4 4119 B12R1.1 CCCCOc1ncc(cn1)F 32d3d79ac4251c6a2504d95e55cbb131 [0,1,0,0,0,1|2,0,0]=4 4120 B12R1.1 CCCCOc1ncc(cn1)I 85323eb500584ba7beb370182fe9f83c [0,1,0,0,0,1|2,0,0]=4 4121 B12R1.1 CCCNCc1ccc(=O)[nH]c1 7538f417ad561b957ce036f792a167ba [0,1,0,0,0,1|2,0,0]=4 4122 B12R1.1 CCCNCc1ccc(cc1)Br 6d7acb5c1d6eb4035cfecd636670ec88 [0,1,0,0,0,1|2,0,0]=4 4123 B12R1.1 CCCNCc1ccc(cc1)C 821f67acfdb50b145a70c837e9673303 [0,1,0,0,0,1|2,0,0]=4 4124 B12R1.1 CCCNCc1ccc(cc1)Cl a02313d9aa520f59216ac1ef5bf23381 [0,1,0,0,0,1|2,0,0]=4 4125 B12R1.1 CCCNCc1ccc(cc1)F 788f6e4abed6506e1bd98834e24d71da [0,1,0,0,0,1|2,0,0]=4 4126 B12R1.1 CCCNCc1ccc(cc1)I 25058b9c523bb9b3441cc38523ac0681 [0,1,0,0,0,1|2,0,0]=4 4127 B12R1.1 CCCNCc1ccc(cn1)Br ce6bf34b40a640b4111b2e5163e26705 [0,1,0,0,0,1|2,0,0]=4 4128 B12R1.1 CCCNCc1ccc(cn1)C 0859440e6ab41c7baa50b4dbb7bfaf38 [0,1,0,0,0,1|2,0,0]=4 4129 B12R1.1 CCCNCc1ccc(cn1)Cl 518b2eeb37bf5f7f7618b8da0a2f2225 [0,1,0,0,0,1|2,0,0]=4 4130 B12R1.1 CCCNCc1ccc(cn1)F 1bb258a69067a228981a13b7c8ffa600 [0,1,0,0,0,1|2,0,0]=4 4131 B12R1.1 CCCNCc1ccc(nc1)Br 98a2a9f55c0e6a24dfd04ba8e737f4fe [0,1,0,0,0,1|2,0,0]=4 4132 B12R1.1 CCCNCc1ccc(nc1)C 0861f89260ac0b04cea33d150d25c2c7 [0,1,0,0,0,1|2,0,0]=4 4133 B12R1.1 CCCNCc1ccc(nc1)Cl 9f529880edca32193f0a62a30cf0afb2 [0,1,0,0,0,1|2,0,0]=4 4134 B12R1.1 CCCNCc1ccc(nc1)F bd740dfa814b0679fc0c7f702414e823 [0,1,0,0,0,1|2,0,0]=4 4135 B12R1.1 CCCNCc1ccc(nn1)C 32380c905b1ba0c05ca532f775e77c52 [0,1,0,0,0,1|2,0,0]=4 4136 B12R1.1 CCCNCc1ccc(nn1)Cl b167ab00ee248e92eb6781b484eb4783 [0,1,0,0,0,1|2,0,0]=4 4137 B12R1.1 CCCNCc1cnc(cn1)Br 44159f6a5f60fe761f3e9b1961525800 [0,1,0,0,0,1|2,0,0]=4 4138 B12R1.1 CCCNCc1cnc(cn1)C af58452d9fb13e74f0a2e7c7a90b32d3 [0,1,0,0,0,1|2,0,0]=4 4139 B12R1.1 CCCNCc1cnc(cn1)Cl ff8d756cf4012e0bb103793501aa29f1 [0,1,0,0,0,1|2,0,0]=4 4140 B12R1.1 CCCNCc1ncc(cn1)Br e64a1e7bd3700662cf0dc04043701e6c [0,1,0,0,0,1|2,0,0]=4 4141 B12R1.1 CCCNCc1ncc(cn1)C b7bb1fc7d6d5a78c8f9b0e783d380224 [0,1,0,0,0,1|2,0,0]=4 4142 B12R1.1 CCCNCc1ncc(cn1)Cl bea56215ace7ba2db0d882a5896108f2 [0,1,0,0,0,1|2,0,0]=4 4143 B12R1.1 CCCNCc1ncc(cn1)F 08da3b52ce3fbc090b01627f564b4076 [0,1,0,0,0,1|2,0,0]=4 4144 B12R1.1 CCCOCc1cc[n+](cc1)[O-] b301fdbcacf119c101f8a1e22f942cbe [0,1,0,0,0,1|2,0,0]=4 4145 B12R1.1 CCCOCc1ccc(cc1)Br 809153d8a160030943d450bde94926b3 [0,1,0,0,0,1|2,0,0]=4 4146 B12R1.1 CCCOCc1ccc(cc1)C cdf710de7aab36c209d4f1e83badcc9f [0,1,0,0,0,1|2,0,0]=4 4147 B12R1.1 CCCOCc1ccc(cc1)Cl 2e02717de8c7d8c7b558a4e515a34b08 [0,1,0,0,0,1|2,0,0]=4 4148 B12R1.1 CCCOCc1ccc(cc1)F 0b046f7636661272767e3d62ac05dc4e [0,1,0,0,0,1|2,0,0]=4 4149 B12R1.1 CCCOCc1ccc(cc1)I 93d3c433bb8fbd6d9bf77528cb7bdc86 [0,1,0,0,0,1|2,0,0]=4 4150 B12R1.1 CCCOCc1ccc(cc1)S 430871fe1cf3c8f148963d62cce89de2 [0,1,0,0,0,1|2,0,0]=4 4151 B12R1.1 CCCOCc1ccc(cn1)Br 49b2165de8bf470f908d401448c5b410 [0,1,0,0,0,1|2,0,0]=4 4152 B12R1.1 CCCOCc1ccc(cn1)C ff405956dedef2634c60e1436e98f714 [0,1,0,0,0,1|2,0,0]=4 4153 B12R1.1 CCCOCc1ccc(cn1)Cl 73222df82ad400a79f3ed27e070a7524 [0,1,0,0,0,1|2,0,0]=4 4154 B12R1.1 CCCOCc1ccc(cn1)F 47efbedbe7a90cd69d4a967f412f2768 [0,1,0,0,0,1|2,0,0]=4 4155 B12R1.1 CCCOCc1ccc(cn1)I 4983eead99cd391642e4ce62b61f7868 [0,1,0,0,0,1|2,0,0]=4 4156 B12R1.1 CCCOCc1ccc(nc1)Br 5986c242d7c14820af1b46ea82277777 [0,1,0,0,0,1|2,0,0]=4 4157 B12R1.1 CCCOCc1ccc(nc1)C 916d4ce8b149ccc705c0ba761cb705cc [0,1,0,0,0,1|2,0,0]=4 4158 B12R1.1 CCCOCc1ccc(nc1)Cl 1a3c2f03dd347e64a0cd18252287212e [0,1,0,0,0,1|2,0,0]=4 4159 B12R1.1 CCCOCc1ccc(nc1)F 924d4c24e4b904e8e6dc77785e7bf92a [0,1,0,0,0,1|2,0,0]=4 4160 B12R1.1 CCCOCc1ccc(nn1)C ed25fade6d9775b87727b3b66a9b1147 [0,1,0,0,0,1|2,0,0]=4 4161 B12R1.1 CCCOCc1ccc(nn1)Cl 07459d9f96943120393825313b4b491d [0,1,0,0,0,1|2,0,0]=4 4162 B12R1.1 CCCOCc1cnc(cn1)Br 15d1cc85d7b1e4c499ce76b7773d9b75 [0,1,0,0,0,1|2,0,0]=4 4163 B12R1.1 CCCOCc1cnc(cn1)C f35ebf995d2b9b5605a85e56ee7478a7 [0,1,0,0,0,1|2,0,0]=4 4164 B12R1.1 CCCOCc1cnc(cn1)Cl 2ccb3bf6c458ac075190b0165e6b4765 [0,1,0,0,0,1|2,0,0]=4 4165 B12R1.1 CCCOCc1ncc(cn1)Br fd7e60f3edb6251184753d6a4d7b1190 [0,1,0,0,0,1|2,0,0]=4 4166 B12R1.1 CCCOCc1ncc(cn1)C fca8a1c0832cf6e5074bf95483cf47b5 [0,1,0,0,0,1|2,0,0]=4 4167 B12R1.1 CCCOCc1ncc(cn1)Cl 488a6accf484cfa86a80b334166a8acb [0,1,0,0,0,1|2,0,0]=4 4168 B12R1.1 CCCOCc1ncc(cn1)F 41f441b88a0408aae8c7d281a9c83614 [0,1,0,0,0,1|2,0,0]=4 4169 B12R1.1 CCNCCc1ccc(cc1)Br c1e1856c8e561693e17b3fba9688bb01 [0,1,0,0,0,1|2,0,0]=4 4170 B12R1.1 CCNCCc1ccc(cc1)C 9668e7887400d136ec1e3eb391085876 [0,1,0,0,0,1|2,0,0]=4 4171 B12R1.1 CCNCCc1ccc(cc1)Cl 8e5264010838622c7519fd0dcde4d0b4 [0,1,0,0,0,1|2,0,0]=4 4172 B12R1.1 CCNCCc1ccc(cc1)F 1a1f9ac0f1e5162cebd8c21d993978c3 [0,1,0,0,0,1|2,0,0]=4 4173 B12R1.1 CCNCCc1ccc(cc1)I a943177ded045228b7557ed18509fc40 [0,1,0,0,0,1|2,0,0]=4 4174 B12R1.1 CCNCCc1ccc(cn1)Br 071a48b22deb6b821a1caa4a94f022f3 [0,1,0,0,0,1|2,0,0]=4 4175 B12R1.1 CCNCCc1ccc(nc1)Br 40501d04b290bcc6bd2ecdbd3d864206 [0,1,0,0,0,1|2,0,0]=4 4176 B12R1.1 CCNCCc1ccc(nc1)C da0b9278676dd0fba6c61fc0ed22f989 [0,1,0,0,0,1|2,0,0]=4 4177 B12R1.1 CCNCCc1ccc(nc1)Cl 0cc577b224a2d134852779de1dd40420 [0,1,0,0,0,1|2,0,0]=4 4178 B12R1.1 CCOCCc1ccc(cc1)Br 373b968b1c2796bb8ccc0d6636f1b3d3 [0,1,0,0,0,1|2,0,0]=4 4179 B12R1.1 CCOCCc1ccc(cc1)C 42e633922cb44e7ff341e38a29688961 [0,1,0,0,0,1|2,0,0]=4 4180 B12R1.1 CCOCCc1ccc(cc1)Cl 724e191c5f6d1be9c5d9a12f103488fa [0,1,0,0,0,1|2,0,0]=4 4181 B12R1.1 CCOCCc1ccc(cc1)F fd874c97516f9d501a7a7d365142f992 [0,1,0,0,0,1|2,0,0]=4 4182 B12R1.1 CCOCCc1ccc(cc1)I e2ec89c0bf90f2dda962bfa898555cdd [0,1,0,0,0,1|2,0,0]=4 4183 B12R1.1 CCOCCc1ccc(cn1)Br 4da8f1abec1823983ba9123c240ed526 [0,1,0,0,0,1|2,0,0]=4 4184 B12R1.1 CCOCCc1ccc(cn1)C f8bfa9a6b9c5cf25e679ebe20d4c34d1 [0,1,0,0,0,1|2,0,0]=4 4185 B12R1.1 CCOCCc1ccc(cn1)F 3104047a4d03b030dadc14553fe02c80 [0,1,0,0,0,1|2,0,0]=4 4186 B12R1.1 CCOCCc1ccc(nc1)Br 77c550d44806648781a348047e80994f [0,1,0,0,0,1|2,0,0]=4 4187 B12R1.1 CCOCCc1ccc(nc1)C d2cbfdfb1b149499f3a63e1ec7ca2e87 [0,1,0,0,0,1|2,0,0]=4 4188 B12R1.1 CCOCCc1ccc(nc1)Cl cc1500b445b266c7e229a33c575d1f83 [0,1,0,0,0,1|2,0,0]=4 4189 B12R1.1 CCOCCc1ccc(nc1)F 21d533bb352b69aa08b705a9a98802c5 [0,1,0,0,0,1|2,0,0]=4 4190 B12R1.1 CCOCCc1ncc(cn1)Br b41735d6bdaa47066712f76e8c99df06 [0,1,0,0,0,1|2,0,0]=4 4191 B12R1.8 BrCCNCCc1ccccc1 44438bbdc203ba2a96e00daceba19cdb [0,1,0,0,0,1|2,0,0]=4 4192 B12R1.8 BrCCNCCc1ccccn1 9a06bde2821ec808c3f7baa49dbbb136 [0,1,0,0,0,1|2,0,0]=4 4193 B12R1.8 BrCCNCCc1cccnc1 d7f4e91980611b9c6a9d67fde3f5b289 [0,1,0,0,0,1|2,0,0]=4 4194 B12R1.8 BrCCNCCc1ccncc1 ba1243a8e4e9a5eab4ccd20a3c98cc85 [0,1,0,0,0,1|2,0,0]=4 4195 B12R1.8 CCCCCNc1ccccc1 91c03911249f1a729a636c2485e854e3 [0,1,0,0,0,1|1,0,0]=3 4196 B12R1.8 CCCCCNc1ccccn1 585f24212680e3bfc425e0aec0b439c2 [0,1,0,0,0,1|1,0,0]=3 4197 B12R1.8 CCCCCNc1cccnc1 5fa826aa2d84f836457483e84a27413b [0,1,0,0,0,1|1,0,0]=3 4198 B12R1.8 CCCCCNc1cccnn1 c04864b1ce8895901d55c47773f3319e [0,1,0,0,0,1|1,0,0]=3 4199 B12R1.8 CCCCCNc1ccncc1 c8c0d07b57d58f944b73cd42db77f640 [0,1,0,0,0,1|1,0,0]=3 4200 B12R1.8 CCCCCNc1ccncn1 25a4c4b291ffefde654816646b35739d [0,1,0,0,0,1|1,0,0]=3 4201 B12R1.8 CCCCCNc1ccnnc1 177544b24d5735a27cf22c7d659dd25c [0,1,0,0,0,1|2,0,0]=4 4202 B12R1.8 CCCCCNc1cnccn1 fa0b9188f3e56ceefce39ee8b4a03fc8 [0,1,0,0,0,1|1,0,0]=3 4203 B12R1.8 CCCCCNc1cncnc1 ada64334852c3b8ffd6fb5196571c237 [0,1,0,0,0,1|2,0,0]=4 4204 B12R1.8 CCCCCNc1cnncn1 3e72dc1670ecc735032a5dea11eb470b [0,1,0,0,0,1|2,0,0]=4 4205 B12R1.8 CCCCCNc1ncccn1 e8af30be246b0d8d027630c093836115 [0,1,0,0,0,1|1,0,0]=3 4206 B12R1.8 CCCCCNc1nccnn1 d5fb0c6161b9b6f48e85a4ef1ddc85d5 [0,1,0,0,0,1|2,0,0]=4 4207 B12R1.8 CCCCCNc1ncncn1 0f57fb81fa8194b2d7ce75fb6c5842bc [0,1,0,0,0,1|2,0,0]=4 4208 B12R1.8 CCCCCOc1ccccn1 c51e7a702fec97dea4ed5e55e57ef936 [0,1,0,0,0,1|1,0,0]=3 4209 B12R1.8 CCCCCOc1cccnc1 42835187bb2a96f147e75f8d7bf5c0be [0,1,0,0,0,1|1,0,0]=3 4210 B12R1.8 CCCCCOc1ccncc1 3d667a33e0f6f9349f26cd5c20bf8187 [0,1,0,0,0,1|1,0,0]=3 4211 B12R1.8 CCCCCOc1ccnnc1 630f1b539210e22d43fc0986aed453c2 [0,1,0,0,0,1|2,0,0]=4 4212 B12R1.8 CCCCCOc1cnccn1 d214fa01f0695c1984dcab91b41605a8 [0,1,0,0,0,1|1,0,0]=3 4213 B12R1.8 CCCCCOc1cncnc1 ca7024fa7daef3d6bca4132332739d86 [0,1,0,0,0,1|2,0,0]=4 4214 B12R1.8 CCCCCOc1cncnn1 3aec1d7a8613562d238822211b462dac [0,1,0,0,0,1|2,0,0]=4 4215 B12R1.8 CCCCCOc1ncccn1 e92c8dad1a3a03f4becf613ffbcc2b29 [0,1,0,0,0,1|1,0,0]=3 4216 B12R1.8 CCCCNCc1ccccc1 0ab7d34979c69bc4acd6ef46bb666f9a [0,1,0,0,0,1|1,0,0]=3 4217 B12R1.8 CCCCNCc1ccccn1 1dacaf15214ef41cb3c2f1c9818fbd94 [0,1,0,0,0,1|1,0,0]=3 4218 B12R1.8 CCCCNCc1cccnc1 f62a7991eabce63e2457be2a93ae29e8 [0,1,0,0,0,1|1,0,0]=3 4219 B12R1.8 CCCCNCc1cccnn1 e85972a339996fbc97bd1ba24951499a [0,1,0,0,0,1|1,0,0]=3 4220 B12R1.8 CCCCNCc1ccncc1 d7fdf09c2c934be58dbd6e9ec30494ab [0,1,0,0,0,1|1,0,0]=3 4221 B12R1.8 CCCCNCc1ccncn1 ab29aa919644ad68fa1a0cb61b11887a [0,1,0,0,0,1|1,0,0]=3 4222 B12R1.8 CCCCNCc1ccnnc1 73b387e139c6f8ec54d0001299843425 [0,1,0,0,0,1|2,0,0]=4 4223 B12R1.8 CCCCNCc1cnccn1 f13b8a1b0467e90a5ff165ce794eb30c [0,1,0,0,0,1|1,0,0]=3 4224 B12R1.8 CCCCNCc1cncnc1 2f95e3d9b8358a3f654661631e667b12 [0,1,0,0,0,1|2,0,0]=4 4225 B12R1.8 CCCCNCc1ncccn1 c2fa2e4a793322875ed2fd9d8bae77b5 [0,1,0,0,0,1|1,0,0]=3 4226 B12R1.8 CCCCOCc1ccccc1 e7a2ea9d8e76018a19cac6b1863869f7 [0,1,0,0,0,1|1,0,0]=3 4227 B12R1.8 CCCCOCc1ccccn1 bdbee8dba51183bb4dac05ec623e6fd7 [0,1,0,0,0,1|1,0,0]=3 4228 B12R1.8 CCCCOCc1cccnc1 e919bcaf101899d0377d8f05c8edc329 [0,1,0,0,0,1|1,0,0]=3 4229 B12R1.8 CCCCOCc1cccnn1 f5a5f583818e14143d6d5833cfd5183e [0,1,0,0,0,1|1,0,0]=3 4230 B12R1.8 CCCCOCc1ccncc1 5c9bdd1b1ccd1eb8838682c13573b707 [0,1,0,0,0,1|1,0,0]=3 4231 B12R1.8 CCCCOCc1ccncn1 49d4dcde88a50eb116064e31a63e0c64 [0,1,0,0,0,1|1,0,0]=3 4232 B12R1.8 CCCCOCc1ccnnc1 5b7a204d8427a1dd454ca7e1aa0fd0da [0,1,0,0,0,1|2,0,0]=4 4233 B12R1.8 CCCCOCc1cnccn1 69fb81e73c3c77d45793c9f184672475 [0,1,0,0,0,1|1,0,0]=3 4234 B12R1.8 CCCCOCc1cncnc1 3a2abab065573cb01ee29d59d6ff2fa0 [0,1,0,0,0,1|2,0,0]=4 4235 B12R1.8 CCCCOCc1ncccn1 b00a823080e8e499b38e48274716d854 [0,1,0,0,0,1|1,0,0]=3 4236 B12R1.8 CCCNCCc1ccccc1 de4634a5b10be0583379bf36a55fd975 [0,1,0,0,0,1|1,0,0]=3 4237 B12R1.8 CCCNCCc1ccccn1 db4179a8136b988593f56bef0e41421d [0,1,0,0,0,1|1,0,0]=3 4238 B12R1.8 CCCNCCc1cccnc1 1e462df2b0ae672e64302eccd1ccbf55 [0,1,0,0,0,1|1,0,0]=3 4239 B12R1.8 CCCNCCc1ccncc1 75fa7087d9d322d4fb962981385838e0 [0,1,0,0,0,1|1,0,0]=3 4240 B12R1.8 CCCNCCc1ccncn1 e758da57ce29f5c1f792d4970f454fad [0,1,0,0,0,1|1,0,0]=3 4241 B12R1.8 CCCNCCc1cnccn1 ffa55421166b44bca7b5c68aaafc31c1 [0,1,0,0,0,1|1,0,0]=3 4242 B12R1.8 CCCNCCc1ncccn1 268215bde8206e9e70d75eb004cae6ad [0,1,0,0,0,1|1,0,0]=3 4243 B12R1.8 CCCOCCc1ccccc1 6ff048bac0fc069e37a7f6359e53917a [0,1,0,0,0,1|1,0,0]=3 4244 B12R1.8 CCCOCCc1ccccn1 495b2e5857432868e8dc4db07751a420 [0,1,0,0,0,1|1,0,0]=3 4245 B12R1.8 CCCOCCc1cccnc1 04113a7c0c0fc7a249f8441dcdeb4b99 [0,1,0,0,0,1|1,0,0]=3 4246 B12R1.8 CCCOCCc1ccncc1 528887ae5600fb3f47428d9b5b2b2fc5 [0,1,0,0,0,1|1,0,0]=3 4247 B12R1.8 CCCOCCc1ccncn1 72928c6fa0d97cd8b24b7c5567183baa [0,1,0,0,0,1|1,0,0]=3 4248 B12R1.8 CCCOCCc1cnccn1 00b7a2df7c13ee5b18982acf7edc2094 [0,1,0,0,0,1|1,0,0]=3 4249 B12R1.8 CCCOCCc1cncnc1 353c17e7bf9336b34e387d6c94e762da [0,1,0,0,0,1|2,0,0]=4 4250 B12R1.8 CCCOCCc1ncccn1 85b59f6e28cb48774a8562b89a016222 [0,1,0,0,0,1|1,0,0]=3 4251 B12R1.8 CCNCCCc1ccccc1 b7715a69dd85035a729bcc3298689ab5 [0,1,0,0,0,1|1,0,0]=3 4252 B12R1.8 CCNCCCc1ccccn1 048a807537b42fb54187509210f6e12c [0,1,0,0,0,1|1,0,0]=3 4253 B12R1.8 CCNCCCc1cccnc1 3373f8695160430ad61e1df554bf48e4 [0,1,0,0,0,1|1,0,0]=3 4254 B12R1.8 CCNCCCc1ccncc1 1312ae4c95d1a1c5d3e95a7869565a5a [0,1,0,0,0,1|1,0,0]=3 4255 B12R1.8 CCNCCOc1ccccc1 d5ddae3ded59ed35e9c0403b52d833f2 [0,1,0,0,0,1|2,0,0]=4 4256 B12R1.8 CCNCCOc1ccccn1 f517badbab06764c0d778d5166959ef7 [0,1,0,0,0,1|2,0,0]=4 4257 B12R1.8 CCNCCOc1cccnc1 adb1131ba5508d4c001efaf388a270f7 [0,1,0,0,0,1|2,0,0]=4 4258 B12R1.8 CCOCCCC1=CCC=CC1 c736e524db2f6bc6d387404d01ab523e [0,1,0,0,0,1|1,0,0]=3 4259 B12R1.8 CCOCCCc1ccccc1 95c4d5e38aabc377fa248d955f0dc679 [0,1,0,0,0,1|1,0,0]=3 4260 B12R1.8 CCOCCCc1ccccn1 859085eeaedc4a3c650b307e46d76a73 [0,1,0,0,0,1|1,0,0]=3 4261 B12R1.8 CCOCCCc1cccnc1 5173637fbf4b8276cf79cd9d0837d422 [0,1,0,0,0,1|1,0,0]=3 4262 B12R1.8 CCOCCCc1ccncc1 48fe4d63de940c0c26169b537e6586f9 [0,1,0,0,0,1|1,0,0]=3 4263 B12R1.8 CCOCCCc1cnccn1 96377e577044f54d4eefcfd8ca347005 [0,1,0,0,0,1|1,0,0]=3 4264 B12R1.8 CCOCCCc1ncccn1 91b7e5dbb1003691bde7168b7868a4b2 [0,1,0,0,0,1|1,0,0]=3 4265 B12R1.8 CCOCCNc1ccccc1 d4241708f39fbdf3b0b47b3411df7d4e [0,1,0,0,0,1|2,0,0]=4 4266 B12R1.8 CCOCCNc1ccccn1 c924cdaad90ee79ffea92abd5325e8fd [0,1,0,0,0,1|2,0,0]=4 4267 B12R1.8 CCOCCNc1cccnc1 1e5823b67f834b1b6e334c78d0ca748a [0,1,0,0,0,1|2,0,0]=4 4268 B12R1.8 CCOCCNc1cccnn1 6e0438c3ae5589ce67ed194d095dd8ed [0,1,0,0,0,1|2,0,0]=4 4269 B12R1.8 CCOCCNc1ccncc1 260b7c9e21e5dbc4931cda801e5b3f25 [0,1,0,0,0,1|2,0,0]=4 4270 B12R1.8 CCOCCNc1ccncn1 cf3f60ddf1ebcd296dc9bfa8dbb85a0b [0,1,0,0,0,1|2,0,0]=4 4271 B12R1.8 CCOCCNc1cnccn1 7a3dbea716592a3e2f32a8bc18b0e703 [0,1,0,0,0,1|2,0,0]=4 4272 B12R1.8 CCOCCNc1ncccn1 f2cb7c887ea1a94a935bae6f924c81e6 [0,1,0,0,0,1|2,0,0]=4 4273 B12R1.8 CCOCCOc1ccccc1 7cc50880b35d5d523b8ebe021571ca68 [0,1,0,0,0,1|2,0,0]=4 4274 B12R1.8 CCOCCOc1ccccn1 f5da0aa9fa2ad7dc4a95c1eb6c04963e [0,1,0,0,0,1|2,0,0]=4 4275 B12R1.8 CCOCCOc1cccnc1 90da2abbb29c3a2804fd3529fe27903c [0,1,0,0,0,1|2,0,0]=4 4276 B12R1.8 CCOCCOc1ccncc1 58cc63725af75927174d6514028cc9ba [0,1,0,0,0,1|2,0,0]=4 4277 B12R1.8 CCOCCOc1cnccn1 d992c38f9e68fc07ae1eee251c5f42fe [0,1,0,0,0,1|2,0,0]=4 4278 B12R1.8 CCOCCOc1ncccn1 e689ee34ee6845bb24cf93548264b2e7 [0,1,0,0,0,1|2,0,0]=4 4279 B12R1.8 CCOCCSc1ccccc1 673ed7aececbd7276e2d946a99a864ba [0,1,0,0,0,1|2,0,0]=4 4280 B12R1.8 CCOCCSc1ccccn1 39f6195046a78c2bf820f28d6480fc87 [0,1,0,0,0,1|2,0,0]=4 4281 B12R1.8 CCOCNCc1ccccc1 ad1ac49e8362d6c3a7ef7f4bc168f4ac [0,1,0,0,0,1|2,0,0]=4 4282 B12R1.8 CCOCNCc1ccccn1 ee5ecc87187447710671c4e404ab5d67 [0,1,0,0,0,1|2,0,0]=4 4283 B12R1.8 CCOCNCc1cccnc1 77dc363b01d495a6518051d104958a2f [0,1,0,0,0,1|2,0,0]=4 4284 B12R1.8 CCOCNCc1cccnn1 ceaf7071dbc13f3f22d89fcf44347a7f [0,1,0,0,0,1|2,0,0]=4 4285 B12R1.8 CCOCNCc1ccncc1 030d2e2cead04e3196eb6c2ccd092890 [0,1,0,0,0,1|2,0,0]=4 4286 B12R1.8 CCOCNCc1ccncn1 b4cdb03b996166d4cdfca3eb0ed14ad5 [0,1,0,0,0,1|2,0,0]=4 4287 B12R1.8 CCOCNCc1cnccn1 ce2ae80bcbedd3c655264d5e80cfb517 [0,1,0,0,0,1|2,0,0]=4 4288 B12R1.8 CCOCNCc1ncccn1 4f5a83040c005533fe5709e2b55783f9 [0,1,0,0,0,1|2,0,0]=4 4289 B12R1.8 CCOCOCc1ccccn1 14f99fa0e6d24bdb50dcb8c7585da890 [0,1,0,0,0,1|2,0,0]=4 4290 B12R1.8 CCOCOCc1cccnn1 29e61339796337936c01d738db3a854b [0,1,0,0,0,1|2,0,0]=4 4291 B12R1.8 CCOCOCc1ccncn1 5011fe252b8e59d8a7e664705a511c68 [0,1,0,0,0,1|2,0,0]=4 4292 B12R1.8 CCOCOCc1ncccn1 d4558727a8361d465bbd3aba4eb55245 [0,1,0,0,0,1|2,0,0]=4 4293 B12R1.8 CCSCCNc1ccccc1 3aa28a6af03561c4dff60fa2d0f2630b [0,1,0,0,0,1|2,0,0]=4 4294 B12R1.8 CCSCCNc1ccccn1 9ac125fe19f7981ccaa6c3050039d522 [0,1,0,0,0,1|2,0,0]=4 4295 B12R1.8 CCSCCNc1cccnc1 a626c8afe0b69622b1713a0faff348bc [0,1,0,0,0,1|2,0,0]=4 4296 B12R1.8 CCSCCNc1cccnn1 7779585b700012c188a65dfe04eb1ac5 [0,1,0,0,0,1|2,0,0]=4 4297 B12R1.8 CCSCCNc1ccncc1 c0b412122d4dc80e66e392673c31ad9c [0,1,0,0,0,1|2,0,0]=4 4298 B12R1.8 CCSCCNc1ccncn1 54707ded034fab1d20154233bde87b56 [0,1,0,0,0,1|2,0,0]=4 4299 B12R1.8 CCSCCNc1cnccn1 6af65a68b7d9f82ed47cd35bb3a516e1 [0,1,0,0,0,1|2,0,0]=4 4300 B12R1.8 CCSCCNc1ncccn1 0486dd62c947d43a700c2850cc52244f [0,1,0,0,0,1|2,0,0]=4 4301 B12R1.8 CCSCCOc1ccccn1 fb856e4b8d5fc3246866ee7d11418749 [0,1,0,0,0,1|2,0,0]=4 4302 B12R1.8 CCSCCOc1cccnc1 7a1b433bc628cddad8cf57c9341a16cf [0,1,0,0,0,1|2,0,0]=4 4303 B12R1.8 CCSCCOc1ccncc1 39d2441591cd99866c275069dfb9b929 [0,1,0,0,0,1|2,0,0]=4 4304 B12R1.8 CCSCCOc1cnccn1 ff1aff4b0d48bba2fd7dddb2323e221a [0,1,0,0,0,1|2,0,0]=4 4305 B12R1.8 CCSCCOc1ncccn1 0d33c9c85c16b4fcd6d9a12124e7fd2f [0,1,0,0,0,1|2,0,0]=4 4306 B12R1.8 COCCCNc1ccccc1 3df3fc4fbaedb1dd760b4a37be035630 [0,1,0,0,0,1|2,0,0]=4 4307 B12R1.8 COCCCNc1ccccn1 b3704682ea886739d8d3ef30bc747ee7 [0,1,0,0,0,1|2,0,0]=4 4308 B12R1.8 COCCCNc1cccnc1 f137f9251ed366e53ff206e14110778d [0,1,0,0,0,1|2,0,0]=4 4309 B12R1.8 COCCCNc1cccnn1 0867dbc8a1e919f5687237df8b00ee39 [0,1,0,0,0,1|2,0,0]=4 4310 B12R1.8 COCCCNc1ccncc1 c41a6489b75ed922ab6364283a988c83 [0,1,0,0,0,1|2,0,0]=4 4311 B12R1.8 COCCCNc1ccncn1 23de1961866255004167f81da3017c08 [0,1,0,0,0,1|2,0,0]=4 4312 B12R1.8 COCCCNc1cnccn1 90e3e9e86ab90ed9e921777b834fa746 [0,1,0,0,0,1|2,0,0]=4 4313 B12R1.8 COCCCNc1ncccn1 480c5a81b857b38c618cd05b3f52a0d1 [0,1,0,0,0,1|2,0,0]=4 4314 B12R1.8 COCCCOc1ccccn1 43bfda6a85c42f66b9ce84c1adba5682 [0,1,0,0,0,1|2,0,0]=4 4315 B12R1.8 COCCCOc1cccnc1 ec958672fe26ba1a178ae65969d24489 [0,1,0,0,0,1|2,0,0]=4 4316 B12R1.8 COCCCOc1ccncc1 e5daa8a0ea56b79b7618cce89f1cbf45 [0,1,0,0,0,1|2,0,0]=4 4317 B12R1.8 COCCCOc1cnccn1 4f95f96243168ed43dbf37c4d9fe539d [0,1,0,0,0,1|2,0,0]=4 4318 B12R1.8 COCCCOc1ncccn1 d66ba8a7816f55b7cd98f4a77a3b6b45 [0,1,0,0,0,1|2,0,0]=4 4319 B12R1.8 COCCNCc1ccccc1 8a36d3044a8140246d8590cb65467526 [0,1,0,0,0,1|2,0,0]=4 4320 B12R1.8 COCCNCc1ccccn1 3f19c45c0ff011efc1b5c3ee20b6b35e [0,1,0,0,0,1|2,0,0]=4 4321 B12R1.8 COCCNCc1cccnc1 daeeb1b2dd3039141ded10f95692d744 [0,1,0,0,0,1|2,0,0]=4 4322 B12R1.8 COCCNCc1cccnn1 a3daf10b8adf2cf4d79827dc7ea4a6f3 [0,1,0,0,0,1|2,0,0]=4 4323 B12R1.8 COCCNCc1ccncc1 92207752fd88ce5ce5c8380c92f4a083 [0,1,0,0,0,1|2,0,0]=4 4324 B12R1.8 COCCNCc1ccncn1 0d6b868d49b753831674cc5f72e15b3d [0,1,0,0,0,1|2,0,0]=4 4325 B12R1.8 COCCNCc1cnccn1 d0b6464b1143809f82269d8dad799fee [0,1,0,0,0,1|2,0,0]=4 4326 B12R1.8 COCCNCc1ncccn1 3fc29e851ff60de01e407a1881432eb4 [0,1,0,0,0,1|2,0,0]=4 4327 B12R1.8 COCCOCc1ccccc1 b9f846e77ac1098b75510b938c502133 [0,1,0,0,0,1|2,0,0]=4 4328 B12R1.8 COCCOCc1ccccn1 86c9ea446a5f0c2dbf739a9c1ec4af6f [0,1,0,0,0,1|2,0,0]=4 4329 B12R1.8 COCCOCc1cccnc1 317f931a4364675768525b7f79270a0e [0,1,0,0,0,1|2,0,0]=4 4330 B12R1.8 COCCOCc1cccnn1 6408daff7922ff99d328664433bb04e5 [0,1,0,0,0,1|2,0,0]=4 4331 B12R1.8 COCCOCc1ccncc1 777776af9843b5789a5e9b603c11672b [0,1,0,0,0,1|2,0,0]=4 4332 B12R1.8 COCCOCc1ccncn1 59ec7095bcafcd2ebc843842861ad8b2 [0,1,0,0,0,1|2,0,0]=4 4333 B12R1.8 COCCOCc1cnccn1 02c82acf474fda95b7a7a381228a4ada [0,1,0,0,0,1|2,0,0]=4 4334 B12R1.8 COCCOCc1ncccn1 04048f4ff54770269cf5dda97ff92668 [0,1,0,0,0,1|2,0,0]=4 4335 B12R1.8 COCNCCc1ccccc1 a912e7467b1cfbc21e322d32a6dcd9f6 [0,1,0,0,0,1|2,0,0]=4 4336 B12R1.8 COCNCCc1ccccn1 d2388531e21389a0bbeb6695b6cea49d [0,1,0,0,0,1|2,0,0]=4 4337 B12R1.8 COCNCCc1cccnc1 3064a84f6232ed938ac5d787283e4e47 [0,1,0,0,0,1|2,0,0]=4 4338 B12R1.8 COCNCCc1ccncc1 6b569331b6ff5ac4e281457fad47a423 [0,1,0,0,0,1|2,0,0]=4 4339 B12R1.8 COCNCCc1ccncn1 1a854ed5d386c0daae0e95e611f8fdfc [0,1,0,0,0,1|2,0,0]=4 4340 B12R1.8 COCNCCc1cnccn1 bf87a3331ba42ace588710d5b4856175 [0,1,0,0,0,1|2,0,0]=4 4341 B12R1.8 COCNCCc1ncccn1 8fba07c89cace42bbb581fd44efdd301 [0,1,0,0,0,1|2,0,0]=4 4342 B12R1.8 COCOCCc1ccccc1 770adb91b0343cd94d912838fb402d30 [0,1,0,0,0,1|2,0,0]=4 4343 B12R1.8 COCOCCc1ccccn1 844ec6012059e3e290cbbc2ae5f59230 [0,1,0,0,0,1|2,0,0]=4 4344 B12R1.8 COCOCCc1cccnc1 9d4fdcdb68f5067a05286e77e6f5164f [0,1,0,0,0,1|2,0,0]=4 4345 B12R1.8 COCOCCc1ccncc1 2305f86484e3fbdb87c5f93fceb814cd [0,1,0,0,0,1|2,0,0]=4 4346 B12R1.8 COCOCCc1ccncn1 748dcf5b02a15aaeacebf409cccd24eb [0,1,0,0,0,1|2,0,0]=4 4347 B12R1.8 COCOCCc1cnccn1 5608489fa47adaf76825900029a862da [0,1,0,0,0,1|2,0,0]=4 4348 B12R1.8 COCOCCc1ncccn1 d724c05e27dfc7afdcc3f434b6962bf3 [0,1,0,0,0,1|2,0,0]=4 4349 B12R1.8 CSCCCNc1ccccc1 4e1411f18abc16ae61e9748ad3fe9913 [0,1,0,0,0,1|2,0,0]=4 4350 B12R1.8 CSCCCNc1ccccn1 80fd9025455749dcd8da4ebce8a4f0a8 [0,1,0,0,0,1|2,0,0]=4 4351 B12R1.8 CSCCCNc1cccnc1 a65744a1c0bfc4ffc8f90d3d751e8fd9 [0,1,0,0,0,1|2,0,0]=4 4352 B12R1.8 CSCCCNc1cccnn1 30da6488f1ff75c840c66941baed1b84 [0,1,0,0,0,1|2,0,0]=4 4353 B12R1.8 CSCCCNc1ccncc1 8937538f26cbfac38fa144dc16ba30f6 [0,1,0,0,0,1|2,0,0]=4 4354 B12R1.8 CSCCCNc1ccncn1 9cb64f8a4c3ea74798a440e1dfa33d1a [0,1,0,0,0,1|2,0,0]=4 4355 B12R1.8 CSCCCNc1cnccn1 adbf48463c54ada01462865c6d035712 [0,1,0,0,0,1|2,0,0]=4 4356 B12R1.8 CSCCCNc1ncccn1 bde72c46fe55cb7c4f05a3cc75ff8a09 [0,1,0,0,0,1|2,0,0]=4 4357 B12R1.8 CSCCCOc1ccccn1 3ffe432bdcd1a250a9ca21e1fd86b1e9 [0,1,0,0,0,1|2,0,0]=4 4358 B12R1.8 CSCCCOc1cccnc1 86df670b3262b86521b899f8575ac879 [0,1,0,0,0,1|2,0,0]=4 4359 B12R1.8 CSCCCOc1ccncc1 55e2a767f068d3518a4625983214ce1a [0,1,0,0,0,1|2,0,0]=4 4360 B12R1.8 CSCCCOc1cnccn1 9c3d87437e23b8ea1567bfef8b29d38a [0,1,0,0,0,1|2,0,0]=4 4361 B12R1.8 CSCCCOc1ncccn1 31649ccdc79843e4c4feb3aed45ce10d [0,1,0,0,0,1|2,0,0]=4 4362 B12R1.8 CSCCNCc1ccccc1 0d4e7f51d968ec32ec790202ae2a515e [0,1,0,0,0,1|2,0,0]=4 4363 B12R1.8 CSCCNCc1ccccn1 1637bb4fe5437c10ef5060198d868124 [0,1,0,0,0,1|2,0,0]=4 4364 B12R1.8 CSCCNCc1cccnc1 ecfab7d8e375ad1f8b77b31b8d0610f7 [0,1,0,0,0,1|2,0,0]=4 4365 B12R1.8 CSCCNCc1cccnn1 200a5d28bbaca89aab6f3d40a04481a9 [0,1,0,0,0,1|2,0,0]=4 4366 B12R1.8 CSCCNCc1ccncc1 51ffe14c2037889bed6c70473f493ea0 [0,1,0,0,0,1|2,0,0]=4 4367 B12R1.8 CSCCNCc1ccncn1 ced414fa325eb607f80f3592d0ce80b8 [0,1,0,0,0,1|2,0,0]=4 4368 B12R1.8 CSCCNCc1cnccn1 a140a84ab10598d2e0065e9c8ce3512c [0,1,0,0,0,1|2,0,0]=4 4369 B12R1.8 CSCCNCc1ncccn1 042b97be3e56b3c41f5ddf6609732ffa [0,1,0,0,0,1|2,0,0]=4 4370 B12R1.8 CSCCOCc1ccccc1 84c183c4a4472a4f34bccedb678bad7b [0,1,0,0,0,1|2,0,0]=4 4371 B12R1.8 CSCCOCc1ccccn1 4347aa5a5271fb25a5cc77c30dfa8a82 [0,1,0,0,0,1|2,0,0]=4 4372 B12R1.8 CSCCOCc1cccnc1 2805e860271ae018830b9c6b9d160171 [0,1,0,0,0,1|2,0,0]=4 4373 B12R1.8 CSCCOCc1cccnn1 8287a658f31b96ae866296e3940041ee [0,1,0,0,0,1|2,0,0]=4 4374 B12R1.8 CSCCOCc1ccncc1 da1bc6e1cdfc850ef0acdf1a6cc8da23 [0,1,0,0,0,1|2,0,0]=4 4375 B12R1.8 CSCCOCc1ccncn1 fa2a19fff1e39c69f1f64ffbb14c8872 [0,1,0,0,0,1|2,0,0]=4 4376 B12R1.8 CSCCOCc1cnccn1 dce6736c5d1e5a1139325b397172ae4f [0,1,0,0,0,1|2,0,0]=4 4377 B12R1.8 CSCCOCc1ncccn1 272c9d5264a804a51449bbba6a26010a [0,1,0,0,0,1|2,0,0]=4 4378 B12R1.8 CSCNCCc1ccccc1 8cb9946ee650f17d4a684e0a1795e862 [0,1,0,0,0,1|2,0,0]=4 4379 B12R1.8 CSCNCCc1ccccn1 1805bded532b1b9756c352b14606e2a1 [0,1,0,0,0,1|2,0,0]=4 4380 B12R1.8 CSCNCCc1cccnc1 a572540020592b533113991945b4ad18 [0,1,0,0,0,1|2,0,0]=4 4381 B12R1.8 CSCNCCc1ccncc1 03b3401fdb1cdeb25dbd38f4797d54c8 [0,1,0,0,0,1|2,0,0]=4 4382 B12R1.8 CSCNCCc1ccncn1 8ab2ad97a2322b500e0516b85be30473 [0,1,0,0,0,1|2,0,0]=4 4383 B12R1.8 CSCNCCc1cnccn1 70034cb084c6ae5c6e2a48cda7843223 [0,1,0,0,0,1|2,0,0]=4 4384 B12R1.8 CSCNCCc1ncccn1 508164d4be0707af231a7595e5629392 [0,1,0,0,0,1|2,0,0]=4 4385 B12R1.8 CSCOCCc1ccccc1 ae45fc1dadd522ae78b6ec0b53b58cbe [0,1,0,0,0,1|2,0,0]=4 4386 B12R1.8 CSCOCCc1ccccn1 40581d5eea60828490877c6330a8a9e0 [0,1,0,0,0,1|2,0,0]=4 4387 B12R1.8 CSCOCCc1cccnc1 f9735501f5c0f5766f3d2359d2e2e003 [0,1,0,0,0,1|2,0,0]=4 4388 B12R1.8 CSCOCCc1ccncc1 0eb83f8787ae71ed3ae7d5be71f64369 [0,1,0,0,0,1|2,0,0]=4 4389 B12R1.8 CSCOCCc1ccncn1 ef80479e687f6fb7a2dba6d3c9d17608 [0,1,0,0,0,1|2,0,0]=4 4390 B12R1.8 CSCOCCc1cnccn1 c2c51c11dbe1d014169515e71f2ee355 [0,1,0,0,0,1|2,0,0]=4 4391 B12R1.8 CSCOCCc1ncccn1 91aec60b933bcc3edc5c4b2fcf2322f4 [0,1,0,0,0,1|2,0,0]=4 4392 B12R1.8 ClCCCCNc1ccccc1 8d4b10d9b5325336494f2a30a6b84cc2 [0,1,0,0,0,1|2,0,0]=4 4393 B12R1.8 ClCCCCNc1ccccn1 91d68bf25a8019630edf3def244c8724 [0,1,0,0,0,1|2,0,0]=4 4394 B12R1.8 ClCCCCNc1cccnc1 b8f5fa4e5c888fdc44d8ce08412f3c22 [0,1,0,0,0,1|2,0,0]=4 4395 B12R1.8 ClCCCCNc1cccnn1 a36c29f91d16a6a3dabdb15dda9f33d0 [0,1,0,0,0,1|2,0,0]=4 4396 B12R1.8 ClCCCCNc1ccncc1 cb55373bcc657a348b8951479b216fc6 [0,1,0,0,0,1|2,0,0]=4 4397 B12R1.8 ClCCCCNc1ccncn1 bd318aeb63f919627fbe4450641f6881 [0,1,0,0,0,1|2,0,0]=4 4398 B12R1.8 ClCCCCNc1cnccn1 14b0d3342ec2a65f62af51dd30561fe9 [0,1,0,0,0,1|2,0,0]=4 4399 B12R1.8 ClCCCCNc1ncccn1 69c2af7800143120c1d629291cf2a2db [0,1,0,0,0,1|2,0,0]=4 4400 B12R1.8 ClCCCNCc1ccccc1 8f799c9e441fd632be62e26270cf2f35 [0,1,0,0,0,1|2,0,0]=4 4401 B12R1.8 ClCCCNCc1ccccn1 96ae9d70c035a2cbcba2fe24aaa3ffdc [0,1,0,0,0,1|2,0,0]=4 4402 B12R1.8 ClCCCNCc1cccnc1 fcf275c1364e995d69fad995850b6783 [0,1,0,0,0,1|2,0,0]=4 4403 B12R1.8 ClCCCNCc1cccnn1 816abbe5bf204583da9ba29b02b1134b [0,1,0,0,0,1|2,0,0]=4 4404 B12R1.8 ClCCCNCc1ccncn1 0b6ec2a56951c47b2bf518443349f81f [0,1,0,0,0,1|2,0,0]=4 4405 B12R1.8 ClCCCNCc1ncccn1 ab806f3fec78fde3376165a74241bb61 [0,1,0,0,0,1|2,0,0]=4 4406 B12R1.8 FCCCCNc1ccccc1 8c2145855632f0dc060333e90dbf6d6e [0,1,0,0,0,1|2,0,0]=4 4407 B12R1.8 FCCCCNc1ccccn1 3356af4d3cce46c847f383ba1fe33929 [0,1,0,0,0,1|2,0,0]=4 4408 B12R1.8 FCCCCNc1cccnc1 b306cc7c8a3a8e54e4f76d4c4c74a414 [0,1,0,0,0,1|2,0,0]=4 4409 B12R1.8 FCCCCNc1cccnn1 57e4bd40ea1d7447496afcb13e760434 [0,1,0,0,0,1|2,0,0]=4 4410 B12R1.8 FCCCCNc1ccncc1 17fb431f81c580930a43fc057d4535ce [0,1,0,0,0,1|2,0,0]=4 4411 B12R1.8 FCCCCNc1ccncn1 1f2a6b2446e503d4e5f516b26701fe5b [0,1,0,0,0,1|2,0,0]=4 4412 B12R1.8 FCCCCNc1cnccn1 4f01033bc5cb4349d9bf71be1b42a658 [0,1,0,0,0,1|2,0,0]=4 4413 B12R1.8 FCCCCNc1ncccn1 0a9f0ff2e159bc594e64fa63e49f2e86 [0,1,0,0,0,1|2,0,0]=4 4414 B12R1.8 FCCCCOc1ccccn1 e938132a19c063e02459ae67d61d9932 [0,1,0,0,0,1|2,0,0]=4 4415 B12R1.8 FCCCCOc1cccnc1 92a78db328bafeeb72a2e3ae6c8f7d1f [0,1,0,0,0,1|2,0,0]=4 4416 B12R1.8 FCCCCOc1ccncc1 221ca4fd54d414d4099f0fe213bb84d9 [0,1,0,0,0,1|2,0,0]=4 4417 B12R1.8 FCCCCOc1cnccn1 7cca7391400ddb5689ed1e44d4ed7ca4 [0,1,0,0,0,1|2,0,0]=4 4418 B12R1.8 FCCCCOc1ncccn1 b421826be34ee99ab627d12faf1cc0dc [0,1,0,0,0,1|2,0,0]=4 4419 B12R1.8 FCCCNCc1ccccc1 6d1372e4372415cb5d41d01b1ced7571 [0,1,0,0,0,1|2,0,0]=4 4420 B12R1.8 FCCCNCc1ccccn1 bebe8fe2bd3d1beb1ac8cad20fd3191a [0,1,0,0,0,1|2,0,0]=4 4421 B12R1.8 FCCCNCc1cccnc1 3a0a9a1e19f91aff9afdabecf3e6a9e9 [0,1,0,0,0,1|2,0,0]=4 4422 B12R1.8 FCCCNCc1cccnn1 edaeb2670e474e61d2cb59a6504fe158 [0,1,0,0,0,1|2,0,0]=4 4423 B12R1.8 FCCCNCc1ccncc1 d030deda5d995fc17634727b2c2c397b [0,1,0,0,0,1|2,0,0]=4 4424 B12R1.8 FCCCNCc1ccncn1 1d59a101d24e226b37ff96c356606382 [0,1,0,0,0,1|2,0,0]=4 4425 B12R1.8 FCCCNCc1cnccn1 79c2a512e84fff9e976779db5ce45aaf [0,1,0,0,0,1|2,0,0]=4 4426 B12R1.8 FCCCNCc1ncccn1 899f61e3f87517916cbbae7094fa9a93 [0,1,0,0,0,1|2,0,0]=4 4427 B12R1.8 FCCCOCc1ccccc1 ec8c223bdd42642bcadc9c3ef97f9c25 [0,1,0,0,0,1|2,0,0]=4 4428 B12R1.8 FCCCOCc1ccccn1 528370285b3b5e280a7693ede1e62dba [0,1,0,0,0,1|2,0,0]=4 4429 B12R1.8 FCCCOCc1cccnc1 6f562313b06d2fd995c9386f7d544539 [0,1,0,0,0,1|2,0,0]=4 4430 B12R1.8 FCCCOCc1cccnn1 7fec7cf1c0594b1407ede55dd696f8b8 [0,1,0,0,0,1|2,0,0]=4 4431 B12R1.8 FCCCOCc1ccncc1 b7003999f3576cc06c45595be50b086d [0,1,0,0,0,1|2,0,0]=4 4432 B12R1.8 FCCCOCc1ccncn1 42d8c1159625f3bbd3f5345533fa1531 [0,1,0,0,0,1|2,0,0]=4 4433 B12R1.8 FCCCOCc1cnccn1 8794c08885b9401b20372aa9c4415f42 [0,1,0,0,0,1|2,0,0]=4 4434 B12R1.8 FCCCOCc1ncccn1 c29bfb342041d7f5a8a1ac19f78bd48e [0,1,0,0,0,1|2,0,0]=4 4435 B12R1.8 FCCNCCc1ccccc1 361355d651ba3401fa85cac238cfdb0b [0,1,0,0,0,1|2,0,0]=4 4436 B12R1.8 FCCNCCc1ccccn1 29c8a9f54fc2a477b50973596a269acb [0,1,0,0,0,1|2,0,0]=4 4437 B12R1.8 FCCNCCc1cccnc1 58b2ab7fc620968122c80079c047b73c [0,1,0,0,0,1|2,0,0]=4 4438 B12R1.8 FCCNCCc1ccncc1 3811375e5c5f5ffb86663c4d7bd351e7 [0,1,0,0,0,1|2,0,0]=4 4439 B12R1.8 FCCNCCc1ccncn1 1033eb899e8a9123c58a3ee267405b85 [0,1,0,0,0,1|2,0,0]=4 4440 B12R1.8 FCCNCCc1cnccn1 a1e37df5ad357c2fd50b62d8f0ce199c [0,1,0,0,0,1|2,0,0]=4 4441 B12R1.8 FCCNCCc1ncccn1 ac67052a15ad957177f9a91d35146648 [0,1,0,0,0,1|2,0,0]=4 4442 B12R1.8 FCCOCCc1ccccc1 3b5b20f3626d4389ca61c96c4166e57a [0,1,0,0,0,1|2,0,0]=4 4443 B12R1.8 FCCOCCc1ccccn1 656fc26896d540955c618d694ea4c322 [0,1,0,0,0,1|2,0,0]=4 4444 B12R1.8 FCCOCCc1cccnc1 957482671423f2e3d0589e435774cdc9 [0,1,0,0,0,1|2,0,0]=4 4445 B12R1.8 FCCOCCc1ccncc1 8f3402e3aabc7209bdcae575065e4e1c [0,1,0,0,0,1|2,0,0]=4 4446 B12R1.8 FCCOCCc1ccncn1 48aeec81c3b497e7d254b1c6ec46d51e [0,1,0,0,0,1|2,0,0]=4 4447 B12R1.8 FCCOCCc1cnccn1 f2f7c6a84c38a85148564be41afc3927 [0,1,0,0,0,1|2,0,0]=4 4448 B12R1.8 FCCOCCc1ncccn1 50045bd0e3ff889f53e25d7c9410181f [0,1,0,0,0,1|2,0,0]=4 4449 B12R1.8 FCNCCCc1ccccc1 36413a7a64ebaf0c06144ade57dac471 [0,1,0,0,0,1|2,0,0]=4 4450 B12R1.8 FCNCCCc1ccccn1 540e815b69c598f8c06e83b81e832380 [0,1,0,0,0,1|2,0,0]=4 4451 B12R1.8 FCNCCCc1cccnc1 14b609c05aa718f62169111db8c3db9d [0,1,0,0,0,1|2,0,0]=4 4452 B12R1.8 FCNCCCc1ccncc1 7f07567512e5a743ace3f4492421eca1 [0,1,0,0,0,1|2,0,0]=4 4453 B12R1.8 FCOCCCC1=CCC=CC1 1294cfccca94eb93dcc9ddacbc4f99bf [0,1,0,0,0,1|2,0,0]=4 4454 B12R1.8 FCOCCCc1ccccc1 337af886dc35840fb3b320f6a2c82837 [0,1,0,0,0,1|2,0,0]=4 4455 B12R1.8 FCOCCCc1ccccn1 2e559e01a296a0de86a304e4360dee8e [0,1,0,0,0,1|2,0,0]=4 4456 B12R1.8 FCOCCCc1cccnc1 f5369d800374823eaa516c7467969e5a [0,1,0,0,0,1|2,0,0]=4 4457 B12R1.8 FCOCCCc1ccncc1 466da5d2d1e40cb9128dbe68f0c0cf6c [0,1,0,0,0,1|2,0,0]=4 4458 B12R1.8 FCOCCCc1cnccn1 1acdc5c948d16d48f25b61dcd252d6d5 [0,1,0,0,0,1|2,0,0]=4 4459 B12R1.8 FCOCCCc1ncccn1 54706bbc33e999a8038b2346d9e3ee82 [0,1,0,0,0,1|2,0,0]=4 4460 B12R1.8 ICCNCCc1ccccc1 3d43af0eb4bc8ed1c19be50fd2591b44 [0,1,0,0,0,1|2,0,0]=4 4461 B12R1.8 ICCNCCc1ccccn1 3a2513367ab7cf9a5f37f82491c73a54 [0,1,0,0,0,1|2,0,0]=4 4462 B12R1.8 ICCNCCc1cccnc1 9a37b912cff3420349bcdd29b8da0796 [0,1,0,0,0,1|2,0,0]=4 4463 B12R1.8 ICCNCCc1ccncc1 693c40e0cf7891ad91fdd11c327b86d3 [0,1,0,0,0,1|2,0,0]=4 4464 B12R1.8 OCCCCNc1ccccc1 2154e665ebfa9ee647e239d5a23b3bbd [0,1,0,0,0,1|2,0,0]=4 4465 B12R1.8 OCCCCNc1ccccn1 13b989e40aa07edcb6de17c9446b591d [0,1,0,0,0,1|2,0,0]=4 4466 B12R1.8 OCCCCNc1cccnc1 27a79c461a1ee6618a6e7fe3cc1d992b [0,1,0,0,0,1|2,0,0]=4 4467 B12R1.8 OCCCCNc1cccnn1 4a4bc79ec6e5b87bdf4bd521b21662e9 [0,1,0,0,0,1|2,0,0]=4 4468 B12R1.8 OCCCCNc1ccncc1 39bc0436bd73ae73ff6d2c17ccd5c512 [0,1,0,0,0,1|2,0,0]=4 4469 B12R1.8 OCCCCNc1ccncn1 48317a0aaf203e9571bbbd2e1d32e0de [0,1,0,0,0,1|2,0,0]=4 4470 B12R1.8 OCCCCNc1cnccn1 a8d2b7c51175e217473c939acc3ecfae [0,1,0,0,0,1|2,0,0]=4 4471 B12R1.8 OCCCCNc1ncccn1 d96b7c1033abf7030424d2088537b99f [0,1,0,0,0,1|2,0,0]=4 4472 B12R1.8 OCCCNCc1ccccc1 1f43a365b69733d9fd54c3f1367679b4 [0,1,0,0,0,1|2,0,0]=4 4473 B12R1.8 OCCCNCc1ccccn1 2db74cd30f61e8e3f9c52c7133bf4507 [0,1,0,0,0,1|2,0,0]=4 4474 B12R1.8 OCCCNCc1cccnc1 b48c3c866d05056f01b31ecc1dce4b1c [0,1,0,0,0,1|2,0,0]=4 4475 B12R1.8 OCCCNCc1cccnn1 a312adbfb55a4df0b5a28a0696338a2a [0,1,0,0,0,1|2,0,0]=4 4476 B12R1.8 OCCCNCc1ccncc1 66e831e14b2dc2dae28ad5f265bc1c0f [0,1,0,0,0,1|2,0,0]=4 4477 B12R1.8 OCCCNCc1ccncn1 8318ec2c75509e4836fa7079b73ea2bb [0,1,0,0,0,1|2,0,0]=4 4478 B12R1.8 OCCCNCc1cnccn1 8ab70361acb42f3be57a58e304209fd3 [0,1,0,0,0,1|2,0,0]=4 4479 B12R1.8 OCCCNCc1ncccn1 99082d096c0eafd52f20c6e5b477b288 [0,1,0,0,0,1|2,0,0]=4 4480 B12R1.8 OCCNCCc1ccccc1 6832b0d8880be8700c4d8c29ed63036c [0,1,0,0,0,1|2,0,0]=4 4481 B12R1.8 OCCNCCc1ccccn1 192e21053d8ac918db362a708882a85e [0,1,0,0,0,1|2,0,0]=4 4482 B12R1.8 OCCNCCc1cccnc1 5891d48f724f9c6f3ad1caf0a25a85fd [0,1,0,0,0,1|2,0,0]=4 4483 B12R1.8 OCCNCCc1ccncc1 b842232cc5675331ff05fecfcbf14339 [0,1,0,0,0,1|2,0,0]=4 4484 B12R1.8 OCCNCCc1ccncn1 821a2a913516f407477e46762ca3ff25 [0,1,0,0,0,1|2,0,0]=4 4485 B12R1.8 OCCNCCc1cnccn1 66c83a33710541ada8eae5b6545f4ea1 [0,1,0,0,0,1|2,0,0]=4 4486 B12R1.8 OCCNCCc1ncccn1 c77f116cf00efa0a4f072dd47e42b289 [0,1,0,0,0,1|2,0,0]=4 4487 B12R1.8 OCNCCCc1ccccc1 4af827ec2909e74315445a370a932107 [0,1,0,0,0,1|2,0,0]=4 4488 B12R1.8 OCNCCCc1ccccn1 b4b77985940d9e7029052ba013ff39f2 [0,1,0,0,0,1|2,0,0]=4 4489 B12R1.8 OCNCCCc1cccnc1 5d17832d95f3d6e1e2dbe7e755d7ff68 [0,1,0,0,0,1|2,0,0]=4 4490 B12R1.8 OCNCCCc1ccncc1 fa6c58ba5a5ca30c3e77a7d188a18ade [0,1,0,0,0,1|2,0,0]=4 4491 B12R1.8 SCCCCNc1ccccc1 ed2d9d7f95071d0803e58eb2622dd581 [0,1,0,0,0,1|2,0,0]=4 4492 B12R1.8 SCCCCNc1ccccn1 8db86b31e92529d8508911c90bd3155e [0,1,0,0,0,1|2,0,0]=4 4493 B12R1.8 SCCCCNc1cccnc1 1a880ae57e783a38d52938eda41c5ac3 [0,1,0,0,0,1|2,0,0]=4 4494 B12R1.8 SCCCCNc1cccnn1 b6cf4f52cd5f8d1e25b5720efe0f3f6d [0,1,0,0,0,1|2,0,0]=4 4495 B12R1.8 SCCCCNc1ccncc1 ec85506b4432e39a7976426b643d3271 [0,1,0,0,0,1|2,0,0]=4 4496 B12R1.8 SCCCCNc1ccncn1 6229c559e8f85a8fcddd551d6b5fa3e8 [0,1,0,0,0,1|2,0,0]=4 4497 B12R1.8 SCCCNCc1ccccc1 66312e7d4ce4f899347700206744a721 [0,1,0,0,0,1|2,0,0]=4 4498 B12R1.8 SCCCNCc1ccccn1 bc507d54c38f34dd3e4362708255f752 [0,1,0,0,0,1|2,0,0]=4 4499 B12R1.8 SCCCNCc1cccnc1 f92b68cac5fbfc6a7a8fb20332d0deca [0,1,0,0,0,1|2,0,0]=4 4500 B12R1.8 SCCCNCc1cccnn1 5c8290276f103d313b60ecf5988a9817 [0,1,0,0,0,1|2,0,0]=4 4501 B12R1.8 SCCCNCc1ccncc1 930f1152ea81b6ce28440b05e77d9e15 [0,1,0,0,0,1|2,0,0]=4 4502 B12R1.8 SCCCNCc1ccncn1 ee884c438a1e04d8c4cb423df8962a85 [0,1,0,0,0,1|2,0,0]=4 4503 B12R1.8 SCCCNCc1cnccn1 0dc2e42f6b4baa1a8039b764d27b4be3 [0,1,0,0,0,1|2,0,0]=4 4504 B12R1.8 SCCCNCc1ncccn1 084fbb55705de04228b4765ef0829af9 [0,1,0,0,0,1|2,0,0]=4 4505 B12R1.8 SCCCOCc1ccccc1 a40983423638d779f7a71c708a989b8f [0,1,0,0,0,1|2,0,0]=4 4506 B12R1.8 SCCCOCc1ccccn1 89b32eb12d51f5c6bc232ac75f5b9e1c [0,1,0,0,0,1|2,0,0]=4 4507 B12R1.8 SCCCOCc1cccnc1 29020307926ad4edbc3f8479d71e5a01 [0,1,0,0,0,1|2,0,0]=4 4508 B12R1.8 SCCCOCc1cccnn1 4481546e138c90308cffb357cbd49022 [0,1,0,0,0,1|2,0,0]=4 4509 B12R1.8 SCCCOCc1ccncc1 292b1f66d09671e748170d605ae04b81 [0,1,0,0,0,1|2,0,0]=4 4510 B12R1.8 SCCCOCc1ccncn1 b0a941afa1b269401211622f666291bd [0,1,0,0,0,1|2,0,0]=4 4511 B12R1.8 SCCCOCc1cnccn1 f9546e4ce542fc8673ca98c29e80acaf [0,1,0,0,0,1|2,0,0]=4 4512 B12R1.8 SCCCOCc1ncccn1 1a107052fa451da460e89461cf4fa7a7 [0,1,0,0,0,1|2,0,0]=4 4513 B12R1.8 SCCNCCc1ccccc1 77f9cf13a4d370b17f1b8a888b3044b3 [0,1,0,0,0,1|2,0,0]=4 4514 B12R1.8 SCCNCCc1ccccn1 ee52ad5cacea42a063542560ca02c6c5 [0,1,0,0,0,1|2,0,0]=4 4515 B12R1.8 SCCNCCc1cccnc1 f05b013db913ccc909ff89417846b387 [0,1,0,0,0,1|2,0,0]=4 4516 B12R1.8 SCCNCCc1ccncc1 ccb9121d287104528c39ff9698fecd48 [0,1,0,0,0,1|2,0,0]=4 4517 B12R1.8 SCCNCCc1ccncn1 e0db423eea418a3d095d18c1b0b2937d [0,1,0,0,0,1|2,0,0]=4 4518 B12R1.8 SCCNCCc1cnccn1 a028c8756951e1926d48e9b8916e556e [0,1,0,0,0,1|2,0,0]=4 4519 B12R1.8 SCCNCCc1ncccn1 7b3e288dbd82d45649850117ea5933aa [0,1,0,0,0,1|2,0,0]=4 4520 B12R1.8 SCCOCCc1ccccc1 622b11be5805e98ac28331a5544396fa [0,1,0,0,0,1|2,0,0]=4 4521 B12R1.8 SCCOCCc1ccccn1 820fc7c612ac0b816564f27a6a32eeec [0,1,0,0,0,1|2,0,0]=4 4522 B12R1.8 SCCOCCc1cccnc1 25c35e21ef3282518885c7aefe7967bd [0,1,0,0,0,1|2,0,0]=4 4523 B12R1.8 SCCOCCc1ccncc1 8cfdbbc980fddb3908df97d939253c99 [0,1,0,0,0,1|2,0,0]=4 4524 B12R1.8 SCCOCCc1ccncn1 37d4d60151c9b43d6c1039a8fea54f51 [0,1,0,0,0,1|2,0,0]=4 4525 B12R1.8 SCCOCCc1cnccn1 905f6f0a986510af20c208e3d896fdee [0,1,0,0,0,1|2,0,0]=4 4526 B12R1.8 SCCOCCc1ncccn1 0b0b23bd933e93d7832f3287ded9ee9d [0,1,0,0,0,1|2,0,0]=4 4527 B12R1.27 CCC(C)CNc1ccccc1 fb8ee4288bf8853fd57c8a217184507f [0,1,0,0,0,1|2,0,0]=4 4528 B12R1.27 CCC(C)CNc1ccccn1 6f2b4521dfa3e14ebf77bc9e288b8c6c [0,1,0,0,0,1|2,0,0]=4 4529 B12R1.27 CCC(C)CNc1cccnc1 799d2535ec95c75adc3efc07c94a55e6 [0,1,0,0,0,1|2,0,0]=4 4530 B12R1.27 CCC(C)CNc1cccnn1 fe60a93e339912dde949c52c81965e44 [0,1,0,0,0,1|2,0,0]=4 4531 B12R1.27 CCC(C)CNc1ccncc1 1d114bdb53eb8bc5873d9cc0853c5acf [0,1,0,0,0,1|2,0,0]=4 4532 B12R1.27 CCC(C)CNc1ccncn1 0030485c0ff4d5483f8ba9ed97ccde88 [0,1,0,0,0,1|2,0,0]=4 4533 B12R1.27 CCC(C)CNc1cnccn1 3cf63567314cf83ced5941a4b5546fbb [0,1,0,0,0,1|2,0,0]=4 4534 B12R1.27 CCC(C)CNc1ncccn1 497fd02a45b5f50f2e8db83a730bdce0 [0,1,0,0,0,1|2,0,0]=4 4535 B12R1.27 CCC(C)COc1ccccn1 068a7be24dc7922a67d6964a1394c7d6 [0,1,0,0,0,1|2,0,0]=4 4536 B12R1.27 CCC(C)COc1cccnc1 0c32f61d8566e65294b7d65adcb5b70b [0,1,0,0,0,1|2,0,0]=4 4537 B12R1.27 CCC(C)COc1ccncc1 60b90e0040b7a2f08da03a263d76f7dc [0,1,0,0,0,1|2,0,0]=4 4538 B12R1.27 CCC(C)COc1cnccn1 c288149b64550ff633a3f83434c9440a [0,1,0,0,0,1|2,0,0]=4 4539 B12R1.27 CCC(C)COc1ncccn1 91b15bfc3cf8a97e2d4d562bae36eb9d [0,1,0,0,0,1|2,0,0]=4 4540 B12R1.27 CCC(C)NCc1ccccc1 ab8df84230779f2ea3e6a09700944eac [0,1,0,0,0,1|2,0,0]=4 4541 B12R1.27 CCC(C)NCc1ccccn1 600531c2c0367b3cbfd9810ef9c18666 [0,1,0,0,0,1|2,0,0]=4 4542 B12R1.27 CCC(C)NCc1cccnc1 03aa38772555301826d5e6a7450f6276 [0,1,0,0,0,1|2,0,0]=4 4543 B12R1.27 CCC(C)NCc1cccnn1 e88f67ed586eb144bc95e5bd7bcb62fb [0,1,0,0,0,1|2,0,0]=4 4544 B12R1.27 CCC(C)NCc1ccncc1 8f2ef9d0f5df7ed3c4b3d292b12e10fb [0,1,0,0,0,1|2,0,0]=4 4545 B12R1.27 CCC(C)NCc1ccncn1 01397d606cc3fffc348ba55c505e4e14 [0,1,0,0,0,1|2,0,0]=4 4546 B12R1.27 CCC(C)NCc1cnccn1 a0930806765eb19590abfca69771946b [0,1,0,0,0,1|2,0,0]=4 4547 B12R1.27 CCC(C)NCc1ncccn1 8df2592374dc9d99b6917404fbb9e793 [0,1,0,0,0,1|2,0,0]=4 4548 B12R1.27 CCC(C)OCc1ccccc1 ecd56e0e8d83f20f8ba3d53f4367b277 [0,1,0,0,0,1|2,0,0]=4 4549 B12R1.27 CCC(C)OCc1ccccn1 cdbc114ff1e98274e0c76d4efba7fd19 [0,1,0,0,0,1|2,0,0]=4 4550 B12R1.27 CCC(C)OCc1cccnc1 48e9afbe8701af90763c0a4646314a57 [0,1,0,0,0,1|2,0,0]=4 4551 B12R1.27 CCC(C)OCc1cccnn1 931286049d3813ef6a988d4bb07d95ff [0,1,0,0,0,1|2,0,0]=4 4552 B12R1.27 CCC(C)OCc1ccncc1 a48ab0f470a95fc03f35a49430e127c9 [0,1,0,0,0,1|2,0,0]=4 4553 B12R1.27 CCC(C)OCc1ccncn1 e6dd96fe0be9c443333ddd94f3b52c38 [0,1,0,0,0,1|2,0,0]=4 4554 B12R1.27 CCC(C)OCc1cnccn1 989f83298573eea5a35c1e5bc64dd4aa [0,1,0,0,0,1|2,0,0]=4 4555 B12R1.27 CCC(C)OCc1ncccn1 38a703d49d9020f50edd3359d9d3a942 [0,1,0,0,0,1|2,0,0]=4 4556 B12R1.27 CCC(O)CNc1ccccc1 3a32ac0a6b49d877750df15cf382268b [0,1,0,0,0,1|2,0,0]=4 4557 B12R1.27 CCC(O)CNc1ccccn1 6864d6686de3983b3129898abd14e11f [0,1,0,0,0,1|2,0,0]=4 4558 B12R1.27 CCC(O)CNc1cccnc1 5ec705eaa989393421bbf1121531428c [0,1,0,0,0,1|2,0,0]=4 4559 B12R1.27 CCC(O)CNc1cccnn1 ac8c3cdae8804672bacb52140e53905b [0,1,0,0,0,1|2,0,0]=4 4560 B12R1.27 CCC(O)CNc1ccncc1 0b60e4dad8ea5561a0d2716be536ff21 [0,1,0,0,0,1|2,0,0]=4 4561 B12R1.27 CCC(O)CNc1ccncn1 ca102469dcbe8fe4e133ae077b53bc80 [0,1,0,0,0,1|2,0,0]=4 4562 B12R1.27 CCC(O)CNc1cnccn1 6334d1439105446d009be2bfcd484584 [0,1,0,0,0,1|2,0,0]=4 4563 B12R1.27 CCC(O)CNc1ncccn1 fcd9c82d249780013a859f025e7e3182 [0,1,0,0,0,1|2,0,0]=4 4564 B12R1.27 CCN(C)CCc1ccccc1 7c4ca4f684c66e96c63c7f2e129ac623 [0,1,0,0,0,1|2,0,0]=4 4565 B12R1.27 CCN(C)CCc1ccccn1 2fc992e6b94f2894c06f88d1be2c6eae [0,1,0,0,0,1|2,0,0]=4 4566 B12R1.27 CCN(C)CCc1cccnc1 8f102e3d75ada77333a942e239825207 [0,1,0,0,0,1|2,0,0]=4 4567 B12R1.27 CCN(C)CCc1ccncc1 b74613155a01263f6023f3efd6abab19 [0,1,0,0,0,1|2,0,0]=4 4568 B12R1.27 CC[C@@H](C)CNc1ccccc1 7adb7de69cc286747885efdd5e0d3ab0 [0,1,0,0,0,1|2,0,0]=4 4569 B12R1.27 CC[C@@H](C)CNc1ccccn1 b147644fe4c42e26e6b4ca990988fc8c [0,1,0,0,0,1|2,0,0]=4 4570 B12R1.27 CC[C@@H](C)CNc1cccnc1 1eb105ddecf8c3249110848ecff4eaa7 [0,1,0,0,0,1|2,0,0]=4 4571 B12R1.27 CC[C@@H](C)CNc1cccnn1 f138a0d0c9267c29c52fe7f61c67828a [0,1,0,0,0,1|2,0,0]=4 4572 B12R1.27 CC[C@@H](C)CNc1ccncc1 ea454cc837b589ad6fa29f9da9abac60 [0,1,0,0,0,1|2,0,0]=4 4573 B12R1.27 CC[C@@H](C)CNc1ccncn1 9bdf9c9da31ebd979aecf6842d7ac6dc [0,1,0,0,0,1|2,0,0]=4 4574 B12R1.27 CC[C@@H](C)CNc1cnccn1 03c5733ba7940e2549808a371cd40c8d [0,1,0,0,0,1|2,0,0]=4 4575 B12R1.27 CC[C@@H](C)CNc1ncccn1 182960260e320668bc478065c63b7965 [0,1,0,0,0,1|2,0,0]=4 4576 B12R1.27 CC[C@@H](C)COc1ccccn1 874982a66f916edcb8896717a7802590 [0,1,0,0,0,1|2,0,0]=4 4577 B12R1.27 CC[C@@H](C)COc1cccnc1 58227191aae01f35afcd7cf132697857 [0,1,0,0,0,1|2,0,0]=4 4578 B12R1.27 CC[C@@H](C)COc1ccncc1 d0894bc1ae7cda042c896f44faa1550c [0,1,0,0,0,1|2,0,0]=4 4579 B12R1.27 CC[C@@H](C)COc1cnccn1 7b3f825b503a154f58403ce019b27176 [0,1,0,0,0,1|2,0,0]=4 4580 B12R1.27 CC[C@@H](C)COc1ncccn1 b6054516e1fc527614d9f5bd8fbbfebc [0,1,0,0,0,1|2,0,0]=4 4581 B12R1.27 CC[C@@H](C)NCc1ccccc1 1448d746eef22413d3964f8047936159 [0,1,0,0,0,1|2,0,0]=4 4582 B12R1.27 CC[C@@H](C)NCc1ccccn1 abcbefa3b0b43406c128be8257adf8b2 [0,1,0,0,0,1|2,0,0]=4 4583 B12R1.27 CC[C@@H](C)NCc1cccnc1 b119e02beb918b7f43cb64ab2c69b801 [0,1,0,0,0,1|2,0,0]=4 4584 B12R1.27 CC[C@@H](C)NCc1cccnn1 67c35e96e8b22c34c0f9f2bf0dbc7c53 [0,1,0,0,0,1|2,0,0]=4 4585 B12R1.27 CC[C@@H](C)NCc1ccncn1 8982898b930cc64d3f97e8f22b517451 [0,1,0,0,0,1|2,0,0]=4 4586 B12R1.27 CC[C@@H](C)NCc1ncccn1 f3d5324285f373a311d24ca5f258e5b2 [0,1,0,0,0,1|2,0,0]=4 4587 B12R1.27 CC[C@@H](C)OCc1ccccc1 0a5e215baf34a258dd8987ff4d2156b3 [0,1,0,0,0,1|2,0,0]=4 4588 B12R1.27 CC[C@@H](C)OCc1ccccn1 01fb0c2d8a73e699c5cca2351e7c51da [0,1,0,0,0,1|2,0,0]=4 4589 B12R1.27 CC[C@@H](C)OCc1cccnc1 2a740981d9be19ca809d229b469f45a2 [0,1,0,0,0,1|2,0,0]=4 4590 B12R1.27 CC[C@@H](C)OCc1cccnn1 2fac72deb935cb1047377c76377e9d51 [0,1,0,0,0,1|2,0,0]=4 4591 B12R1.27 CC[C@@H](C)OCc1ccncn1 6836f2a86da52782b28754e4db4a7845 [0,1,0,0,0,1|2,0,0]=4 4592 B12R1.27 CC[C@@H](C)OCc1ncccn1 0a03468190ed42b08f9cfae2cfb173a4 [0,1,0,0,0,1|2,0,0]=4 4593 B12R1.27 CC[C@@H](O)CNc1ccccc1 765034dc37ea09fed7d7c3321191febe [0,1,0,0,0,1|2,0,0]=4 4594 B12R1.27 CC[C@@H](O)CNc1cccnc1 804d6049e9a11075b053115d69a8a4fd [0,1,0,0,0,1|2,0,0]=4 4595 B12R1.27 CC[C@@H](O)CNc1ccncc1 d1898f70a0d74eecc26d475907d4eaff [0,1,0,0,0,1|2,0,0]=4 4596 B12R1.27 CC[C@@H](O)CNc1ccncn1 649018c5a6a5f17284abaad2f68f2eae [0,1,0,0,0,1|2,0,0]=4 4597 B12R1.27 CC[C@H](C)CNc1ccccc1 1ad1285ada078333483cb7913624769f [0,1,0,0,0,1|2,0,0]=4 4598 B12R1.27 CC[C@H](C)CNc1ccccn1 75c9b55178b9e6cbffbfe52153637e1b [0,1,0,0,0,1|2,0,0]=4 4599 B12R1.27 CC[C@H](C)CNc1cccnc1 2e0a2075fe988129d1dcbf5d21b158ec [0,1,0,0,0,1|2,0,0]=4 4600 B12R1.27 CC[C@H](C)CNc1cccnn1 f45f47606b109d68254290173d5081e6 [0,1,0,0,0,1|2,0,0]=4 4601 B12R1.27 CC[C@H](C)CNc1ccncc1 1476b49c3603a7542420a49c2bf3dc59 [0,1,0,0,0,1|2,0,0]=4 4602 B12R1.27 CC[C@H](C)CNc1ccncn1 f07bef34dedeff8e4d46ab831df19257 [0,1,0,0,0,1|2,0,0]=4 4603 B12R1.27 CC[C@H](C)CNc1cnccn1 8ecdfdf7b0f098ad2d5cb8d4d77444ce [0,1,0,0,0,1|2,0,0]=4 4604 B12R1.27 CC[C@H](C)CNc1ncccn1 577523f9b16287c54754a979f87ae1b0 [0,1,0,0,0,1|2,0,0]=4 4605 B12R1.27 CC[C@H](C)COc1ccccn1 f5b749782758cf24dab04e1718b2b720 [0,1,0,0,0,1|2,0,0]=4 4606 B12R1.27 CC[C@H](C)COc1cccnc1 07e42e29a9d594c30776c88035bd838e [0,1,0,0,0,1|2,0,0]=4 4607 B12R1.27 CC[C@H](C)COc1ccncc1 91877b6a13f619eb114c1ca0ccf0b7a7 [0,1,0,0,0,1|2,0,0]=4 4608 B12R1.27 CC[C@H](C)COc1cnccn1 cab76278093fc45be19b2bc8e97ced1c [0,1,0,0,0,1|2,0,0]=4 4609 B12R1.27 CC[C@H](C)COc1ncccn1 7aae48ba7a09d63ea52adb232ad746c4 [0,1,0,0,0,1|2,0,0]=4 4610 B12R1.27 CC[C@H](C)NCc1ccccc1 1d652b15c79b972376b40d93f2c0c28b [0,1,0,0,0,1|2,0,0]=4 4611 B12R1.27 CC[C@H](C)NCc1ccccn1 db87df854d63d8a538c09dd589fcce72 [0,1,0,0,0,1|2,0,0]=4 4612 B12R1.27 CC[C@H](C)NCc1cccnc1 fa7be05a72600688ba61bb2a45c0e2c1 [0,1,0,0,0,1|2,0,0]=4 4613 B12R1.27 CC[C@H](C)NCc1cccnn1 afb2d02055de31c3b13c38e7426238a5 [0,1,0,0,0,1|2,0,0]=4 4614 B12R1.27 CC[C@H](C)NCc1ccncn1 68e404577e6515900cd967404a759d1e [0,1,0,0,0,1|2,0,0]=4 4615 B12R1.27 CC[C@H](C)NCc1ncccn1 4b99ab313f24380219528f42be31f07d [0,1,0,0,0,1|2,0,0]=4 4616 B12R1.27 CC[C@H](C)OCc1ccccc1 b8de8bd5177d460679bde97bee24bb31 [0,1,0,0,0,1|2,0,0]=4 4617 B12R1.27 CC[C@H](C)OCc1ccccn1 095ff59c775b3964aafbd1681dc69b03 [0,1,0,0,0,1|2,0,0]=4 4618 B12R1.27 CC[C@H](C)OCc1cccnc1 dc7942b08bf13064943cbe342b7c887c [0,1,0,0,0,1|2,0,0]=4 4619 B12R1.27 CC[C@H](C)OCc1cccnn1 140744aee80ca8123abb7507b4305d28 [0,1,0,0,0,1|2,0,0]=4 4620 B12R1.27 CC[C@H](C)OCc1ccncn1 35f3c9d29295bb910146093a6786c4b1 [0,1,0,0,0,1|2,0,0]=4 4621 B12R1.27 CC[C@H](C)OCc1ncccn1 181b6f3316ad03af0956648dba459c7a [0,1,0,0,0,1|2,0,0]=4 4622 B12R1.28 CCCCNc1cc(ccn1)Br 3ce8e9f067c3a96b8cf9dbb1309fc04e [0,1,0,0,0,1|2,0,0]=4 4623 B12R1.28 CCCCNc1cc(ccn1)C df22b9236c0d0914a12a55dc7c64c005 [0,1,0,0,0,1|2,0,0]=4 4624 B12R1.28 CCCCNc1cc(ccn1)Cl cffab7d82e3b95857c958e6281b555d3 [0,1,0,0,0,1|2,0,0]=4 4625 B12R1.28 CCCCNc1cc(ccn1)F 76d962442661bbd03d8a1a7a4e1b4df8 [0,1,0,0,0,1|2,0,0]=4 4626 B12R1.28 CCCCNc1cc(ccn1)I 59ce12897e7090fd85fc4dfb96fddf31 [0,1,0,0,0,1|2,0,0]=4 4627 B12R1.28 CCCCNc1cc(cnn1)Br 846a58d7c7ac21bf8aa4e579e740e721 [0,1,0,0,0,1|2,0,0]=4 4628 B12R1.28 CCCCNc1cc(cnn1)C eca325fd8872164d7241954bcc558e62 [0,1,0,0,0,1|2,0,0]=4 4629 B12R1.28 CCCCNc1cc(cnn1)Cl 797c0b4d06bcbed6e4170222ad28a87b [0,1,0,0,0,1|2,0,0]=4 4630 B12R1.28 CCCCNc1cc(ncn1)Br aec6fefcc2fa4f95be0e681422bae987 [0,1,0,0,0,1|2,0,0]=4 4631 B12R1.28 CCCCNc1cc(ncn1)C f5240c10d5f1d258952d846391401838 [0,1,0,0,0,1|2,0,0]=4 4632 B12R1.28 CCCCNc1cc(ncn1)Cl e49eeca8962e8aaa87d45e887bb66350 [0,1,0,0,0,1|2,0,0]=4 4633 B12R1.28 CCCCNc1cc(ncn1)F fc6b999a6d513a3129b91fdd9a24e80d [0,1,0,0,0,1|2,0,0]=4 4634 B12R1.28 CCCCNc1cc(ncn1)I 81d35aaedccf8b502e223da3c9eb3b47 [0,1,0,0,0,1|2,0,0]=4 4635 B12R1.28 CCCCNc1cc[nH]c(=O)c1 3680c4d5311ae40abd6ce4902a0424b0 [0,1,0,0,0,1|2,0,0]=4 4636 B12R1.28 CCCCNc1cc[nH]c(=O)n1 3c2d7358ad18678bea06990cc26a1907 [0,1,0,0,0,1|2,0,0]=4 4637 B12R1.28 CCCCNc1cc[nH]c(=S)c1 ea9cb42b74e9dcca19e8748ca3c5dc34 [0,1,0,0,0,1|2,0,0]=4 4638 B12R1.28 CCCCNc1ccc[n+](c1)[O-] 679e1535df40d2e493121e03e1801eb4 [0,1,0,0,0,1|2,0,0]=4 4639 B12R1.28 CCCCNc1cccc(=O)[nH]1 3692f6133be3cd54daa34043dfb91b4f [0,1,0,0,0,1|2,0,0]=4 4640 B12R1.28 CCCCNc1cccc(c1)Br 3ba87045eb71cb9daeb0c6df049ffff7 [0,1,0,0,0,1|2,0,0]=4 4641 B12R1.28 CCCCNc1cccc(c1)C f36b39ad3ead5e197d911ea9d057dd4e [0,1,0,0,0,1|2,0,0]=4 4642 B12R1.28 CCCCNc1cccc(c1)Cl a6dae9e8390011a3064dddc965e1d2b9 [0,1,0,0,0,1|2,0,0]=4 4643 B12R1.28 CCCCNc1cccc(c1)F 0ad37da684945b6ecbc5a392ea5af5e5 [0,1,0,0,0,1|2,0,0]=4 4644 B12R1.28 CCCCNc1cccc(c1)I dc76b7022ba07d453e5841475326c95d [0,1,0,0,0,1|2,0,0]=4 4645 B12R1.28 CCCCNc1cccc(c1)S 43cd57044d5c62dbdc445cebf65eff9d [0,1,0,0,0,1|2,0,0]=4 4646 B12R1.28 CCCCNc1cccc(n1)Br fac5b1f9c484cf59cb6a4b3669a341c0 [0,1,0,0,0,1|2,0,0]=4 4647 B12R1.28 CCCCNc1cccc(n1)C b50c160478b645e8709ed00a31cf2df2 [0,1,0,0,0,1|2,0,0]=4 4648 B12R1.28 CCCCNc1cccc(n1)Cl ed33204606245079fd78621e5440d037 [0,1,0,0,0,1|2,0,0]=4 4649 B12R1.28 CCCCNc1cccc(n1)F a31fed733d277471f4055bcc2e8b1eab [0,1,0,0,0,1|2,0,0]=4 4650 B12R1.28 CCCCNc1cccc(n1)I 0b65a525126639de52d69849ecc93a45 [0,1,0,0,0,1|2,0,0]=4 4651 B12R1.28 CCCCNc1ccnc(c1)Br ecb5342ab7f6e01e3e3b964c4843f8aa [0,1,0,0,0,1|2,0,0]=4 4652 B12R1.28 CCCCNc1ccnc(c1)C e6b03d134a6089ca15a5b9a55503d762 [0,1,0,0,0,1|2,0,0]=4 4653 B12R1.28 CCCCNc1ccnc(c1)Cl 1749b707475bfdeb026197262d22361b [0,1,0,0,0,1|2,0,0]=4 4654 B12R1.28 CCCCNc1ccnc(c1)F 87d73fa5d39fd30e54e9de6d0cafb0f4 [0,1,0,0,0,1|2,0,0]=4 4655 B12R1.28 CCCCNc1ccnc(c1)I 202ff841ad6a80e2f7d252fb9a46ab0d [0,1,0,0,0,1|2,0,0]=4 4656 B12R1.28 CCCCNc1ccnc(n1)Br a228833653debef884ce9c5089c19b30 [0,1,0,0,0,1|2,0,0]=4 4657 B12R1.28 CCCCNc1ccnc(n1)C f7a06b587a85665edf6f11e6f36013d2 [0,1,0,0,0,1|2,0,0]=4 4658 B12R1.28 CCCCNc1ccnc(n1)Cl 58091641581206d8f9e9944728fee602 [0,1,0,0,0,1|2,0,0]=4 4659 B12R1.28 CCCCNc1ccnc(n1)F 4184b91c85350ccf45ccf700b1637b90 [0,1,0,0,0,1|2,0,0]=4 4660 B12R1.28 CCCCNc1ccnc(n1)S c19db6b7a5c5908f54f99258f8e8956c [0,1,0,0,0,1|2,0,0]=4 4661 B12R1.28 CCCCNc1cncc(c1)Br b2fa56f79c380776fe44ba4523a4021f [0,1,0,0,0,1|2,0,0]=4 4662 B12R1.28 CCCCNc1cncc(c1)C 5129cdde89e6a0cff0e8b3d16e5355bb [0,1,0,0,0,1|2,0,0]=4 4663 B12R1.28 CCCCNc1cncc(c1)Cl 48ec9e7a10b4511c58afedd0548e3091 [0,1,0,0,0,1|2,0,0]=4 4664 B12R1.28 CCCCNc1cncc(c1)F 15ad4e01c89a4cfa3dd1c42baf244de2 [0,1,0,0,0,1|2,0,0]=4 4665 B12R1.28 CCCCNc1cncc(c1)I ce2eb3e0439ff3de201262b9bef469f8 [0,1,0,0,0,1|2,0,0]=4 4666 B12R1.28 CCCCNc1cncc(n1)Br 81af0f4b09f7492e6c4b31a28ac03d5a [0,1,0,0,0,1|2,0,0]=4 4667 B12R1.28 CCCCNc1cncc(n1)C c36beb8b2008e00cc3d7e90c5556bcd7 [0,1,0,0,0,1|2,0,0]=4 4668 B12R1.28 CCCCNc1cncc(n1)Cl 49e4859524097802ec15a4e2ce9f6fcf [0,1,0,0,0,1|2,0,0]=4 4669 B12R1.28 CCCCNc1cncc(n1)F c5e7ec1329fb5a659d35cefbff042191 [0,1,0,0,0,1|2,0,0]=4 4670 B12R1.28 CCCCNc1nccc(=O)[nH]1 bb0f9266e44c98d49e21ada496f28624 [0,1,0,0,0,1|2,0,0]=4 4671 B12R1.28 CCCCNc1nccc(n1)Br 037555a8cdbd2e012d075f6f548ee732 [0,1,0,0,0,1|2,0,0]=4 4672 B12R1.28 CCCCNc1nccc(n1)C 6af1ae45952075e7ce03980ff88bcb6b [0,1,0,0,0,1|2,0,0]=4 4673 B12R1.28 CCCCNc1nccc(n1)Cl 5537a92b69823787d0f09e8eb837a7f3 [0,1,0,0,0,1|2,0,0]=4 4674 B12R1.28 CCCCNc1nccc(n1)F 6d24c3f01ae237f51ebf1f26736dc064 [0,1,0,0,0,1|2,0,0]=4 4675 B12R1.28 CCCCNc1nccc(n1)I ccc3fcf15f2ca1cfa88dc25ebe2d3915 [0,1,0,0,0,1|2,0,0]=4 4676 B12R1.28 CCCCNc1nccc(n1)S 9f44058f92db4c21ab5a679b271bcb9a [0,1,0,0,0,1|2,0,0]=4 4677 B12R1.28 CCCCOc1cc(ccn1)Br 127a4e24d70a2e56fe8dba38ab0d7418 [0,1,0,0,0,1|2,0,0]=4 4678 B12R1.28 CCCCOc1cc(ccn1)C a277689bb0c81dba2c426460cd5c464b [0,1,0,0,0,1|2,0,0]=4 4679 B12R1.28 CCCCOc1cc(ccn1)Cl 56a40f70abea0a64471fae4dba24fb5e [0,1,0,0,0,1|2,0,0]=4 4680 B12R1.28 CCCCOc1cc(ccn1)F 7b3ecf9ab860ac39a00f40bc9043bf42 [0,1,0,0,0,1|2,0,0]=4 4681 B12R1.28 CCCCOc1cc(ncn1)Br cfb01a997ef1f653df9d18d89951c93a [0,1,0,0,0,1|2,0,0]=4 4682 B12R1.28 CCCCOc1cc(ncn1)C f8d26fb2e7f17ca6a5c90c4f51b6c1d0 [0,1,0,0,0,1|2,0,0]=4 4683 B12R1.28 CCCCOc1cc(ncn1)Cl 01f614feadc1e787fcda6959bc1f9229 [0,1,0,0,0,1|2,0,0]=4 4684 B12R1.28 CCCCOc1ccc[n+](c1)[O-] df749312c20bba98ad1c8de7c9bf010c [0,1,0,0,0,1|2,0,0]=4 4685 B12R1.28 CCCCOc1cccc(=O)[nH]1 1f22aa2f2c8c4d772359ded89a265096 [0,1,0,0,0,1|2,0,0]=4 4686 B12R1.28 CCCCOc1cccc(c1)Br b144f667443368aab820c1f558ee7729 [0,1,0,0,0,1|2,0,0]=4 4687 B12R1.28 CCCCOc1cccc(c1)C de4e90dba26d310b97e7df87ced1e000 [0,1,0,0,0,1|2,0,0]=4 4688 B12R1.28 CCCCOc1cccc(c1)Cl 6912ea50178fc697373b3eb109be83be [0,1,0,0,0,1|2,0,0]=4 4689 B12R1.28 CCCCOc1cccc(c1)F 9bbd58eababd7836ec763165664cc247 [0,1,0,0,0,1|2,0,0]=4 4690 B12R1.28 CCCCOc1cccc(c1)I 02e05e5116a879aa64014a15641eb41a [0,1,0,0,0,1|2,0,0]=4 4691 B12R1.28 CCCCOc1cccc(c1)S 092550c23bce2a6555f79ad42c314952 [0,1,0,0,0,1|2,0,0]=4 4692 B12R1.28 CCCCOc1cccc(n1)Br 1a9bd0f42ab10adce3654ad95086796d [0,1,0,0,0,1|2,0,0]=4 4693 B12R1.28 CCCCOc1cccc(n1)C d9b6d18f8cc402e5aad7db256f0801f6 [0,1,0,0,0,1|2,0,0]=4 4694 B12R1.28 CCCCOc1cccc(n1)F 795e9d086b4da4df60943f877937c501 [0,1,0,0,0,1|2,0,0]=4 4695 B12R1.28 CCCCOc1ccnc(c1)Br a75bf8d3945a7df05c18cef85d06ff19 [0,1,0,0,0,1|2,0,0]=4 4696 B12R1.28 CCCCOc1ccnc(c1)C 958584adfae3a5ad9d3921f49695ad0e [0,1,0,0,0,1|2,0,0]=4 4697 B12R1.28 CCCCOc1ccnc(c1)Cl 8ed91e6bca5cac7a57b73dca14f3ec8b [0,1,0,0,0,1|2,0,0]=4 4698 B12R1.28 CCCCOc1ccnc(c1)F 3873283cc21b8a16e46b3da5fa810d2c [0,1,0,0,0,1|2,0,0]=4 4699 B12R1.28 CCCCOc1ccnc(n1)C 15cac3b113ebafcd2ccc1dec19409ffb [0,1,0,0,0,1|2,0,0]=4 4700 B12R1.28 CCCCOc1ccnc(n1)Cl caf8b47a510d867ec3cf74c87f4d2e9e [0,1,0,0,0,1|2,0,0]=4 4701 B12R1.28 CCCCOc1cncc(c1)Br a7527beb0dfc7f59c17ee94303ef08de [0,1,0,0,0,1|2,0,0]=4 4702 B12R1.28 CCCCOc1cncc(c1)C 0007ff0e63944aa372234adb125a872c [0,1,0,0,0,1|2,0,0]=4 4703 B12R1.28 CCCCOc1cncc(c1)Cl 43cf7404510a84ae2ffcd7f30b3b3691 [0,1,0,0,0,1|2,0,0]=4 4704 B12R1.28 CCCCOc1cncc(c1)F 01b81a592c8dbfe673a2ba66b9183d00 [0,1,0,0,0,1|2,0,0]=4 4705 B12R1.28 CCCCOc1cncc(c1)I 6a71a3ae9a8b6a209904e90b5446a08d [0,1,0,0,0,1|2,0,0]=4 4706 B12R1.28 CCCCOc1cncc(n1)Br 50d16f94419b1952d5583e5bef2e79f6 [0,1,0,0,0,1|2,0,0]=4 4707 B12R1.28 CCCCOc1cncc(n1)C 3cdfb5d3e9edb05ecf45357e8c3b1074 [0,1,0,0,0,1|2,0,0]=4 4708 B12R1.28 CCCCOc1cncc(n1)Cl abb2b3325e34bac9efe2e839e39c291c [0,1,0,0,0,1|2,0,0]=4 4709 B12R1.28 CCCCOc1nccc(n1)Cl 3027d2f03d604257e78374b4662cf537 [0,1,0,0,0,1|2,0,0]=4 4710 B12R1.28 CCCCOc1nccc(n1)S 65097b0d0d644d5b53a00064d7dd91da [0,1,0,0,0,1|2,0,0]=4 4711 B12R1.28 CCCNCc1cc(ccn1)Br 62b70cd570592b04505bcfacfa76c0a8 [0,1,0,0,0,1|2,0,0]=4 4712 B12R1.28 CCCNCc1cc(ccn1)C 8f64567856c5a6b9541eee6863b3acf3 [0,1,0,0,0,1|2,0,0]=4 4713 B12R1.28 CCCNCc1cc(ccn1)Cl 33d38006b2776043cf75acff3a96c3bc [0,1,0,0,0,1|2,0,0]=4 4714 B12R1.28 CCCNCc1cc[nH]c(=O)c1 4d3551ff6d97808fad95dbe208e6e6f7 [0,1,0,0,0,1|2,0,0]=4 4715 B12R1.28 CCCNCc1cc[nH]c(=O)n1 83a5dafc02314146c53fc413d59eea65 [0,1,0,0,0,1|2,0,0]=4 4716 B12R1.28 CCCNCc1ccc[n+](c1)[O-] 9030f4a8f20f481b4d929fabb8e9f8c4 [0,1,0,0,0,1|2,0,0]=4 4717 B12R1.28 CCCNCc1cccc(c1)Br ab115619eaf5d28cfa37403b6fa7ac8f [0,1,0,0,0,1|2,0,0]=4 4718 B12R1.28 CCCNCc1cccc(c1)C 0ea9b946138db81b53023dbdaca16203 [0,1,0,0,0,1|2,0,0]=4 4719 B12R1.28 CCCNCc1cccc(c1)Cl d46956d798c81ca7a12e7d74076d63f3 [0,1,0,0,0,1|2,0,0]=4 4720 B12R1.28 CCCNCc1cccc(c1)F fec44b74b110238869e7726b42829c72 [0,1,0,0,0,1|2,0,0]=4 4721 B12R1.28 CCCNCc1cccc(c1)I ec50005f001189b77183e63c9ca35e03 [0,1,0,0,0,1|2,0,0]=4 4722 B12R1.28 CCCNCc1cccc(n1)Br bc593c6f51687abad18885bc99f5c95a [0,1,0,0,0,1|2,0,0]=4 4723 B12R1.28 CCCNCc1cccc(n1)C eb159799c3e39812c6e0f5ecfc00929c [0,1,0,0,0,1|2,0,0]=4 4724 B12R1.28 CCCNCc1cccc(n1)Cl 94687edaf9eb76abc359c0ee14de5cdb [0,1,0,0,0,1|2,0,0]=4 4725 B12R1.28 CCCNCc1cccc(n1)F d2389ac79e260eebbc9be9dd76bffa68 [0,1,0,0,0,1|2,0,0]=4 4726 B12R1.28 CCCNCc1ccnc(c1)Br cd93074a785b440f75a051f29d102f74 [0,1,0,0,0,1|2,0,0]=4 4727 B12R1.28 CCCNCc1ccnc(c1)C 44e3f8e97f0195b1553b942808256e2f [0,1,0,0,0,1|2,0,0]=4 4728 B12R1.28 CCCNCc1ccnc(c1)Cl 8d578c7e3bd687164cedc285e7a85839 [0,1,0,0,0,1|2,0,0]=4 4729 B12R1.28 CCCNCc1ccnc(c1)F 0764251a219853f8ad12c7dad0b77be7 [0,1,0,0,0,1|2,0,0]=4 4730 B12R1.28 CCCNCc1ccnc(n1)C 6ceb8c766940d7220ce793fadca3d07b [0,1,0,0,0,1|2,0,0]=4 4731 B12R1.28 CCCNCc1ccnc(n1)Cl e8f86fdbc8ea1752f58bc25fbb17b71a [0,1,0,0,0,1|2,0,0]=4 4732 B12R1.28 CCCNCc1cncc(c1)Br dd5395a070fe2a754d4e2e6686157366 [0,1,0,0,0,1|2,0,0]=4 4733 B12R1.28 CCCNCc1cncc(c1)C 93f050af005663718449bbd3ede95b01 [0,1,0,0,0,1|2,0,0]=4 4734 B12R1.28 CCCNCc1cncc(c1)Cl a9f078773a7c257d3b42b4fe2c63dd8d [0,1,0,0,0,1|2,0,0]=4 4735 B12R1.28 CCCNCc1cncc(c1)F a41a901c88e12e1540206257502347f5 [0,1,0,0,0,1|2,0,0]=4 4736 B12R1.28 CCCNCc1cncc(n1)Cl 34870c603f37b92563ace4b77f5de42d [0,1,0,0,0,1|2,0,0]=4 4737 B12R1.28 CCCNCc1nccc(n1)C e58dc1e95eaf012f23da8a5683f78cc6 [0,1,0,0,0,1|2,0,0]=4 4738 B12R1.28 CCCNCc1nccc(n1)Cl b66180cd703f35e930b9bfcc3e1e042b [0,1,0,0,0,1|2,0,0]=4 4739 B12R1.28 CCCOCc1cc(ccn1)Br 55b245978a87266e978cf80fd37b8760 [0,1,0,0,0,1|2,0,0]=4 4740 B12R1.28 CCCOCc1cc(ccn1)C 437e02001d74ccffa20b468cf3b27583 [0,1,0,0,0,1|2,0,0]=4 4741 B12R1.28 CCCOCc1cc(ccn1)Cl 57147ac72f315e193a33357e27e37a83 [0,1,0,0,0,1|2,0,0]=4 4742 B12R1.28 CCCOCc1cc(ccn1)F 8858345998cbadf17293c5f4134b7123 [0,1,0,0,0,1|2,0,0]=4 4743 B12R1.28 CCCOCc1cc(ccn1)I 52a63e2452a5d464627ee845ec55bee8 [0,1,0,0,0,1|2,0,0]=4 4744 B12R1.28 CCCOCc1cc(cnn1)C 2cd9786e699b5106054a0ec7469015db [0,1,0,0,0,1|2,0,0]=4 4745 B12R1.28 CCCOCc1cc(ncn1)C edbf4f1ac8ad28554fee48ddcc15ae02 [0,1,0,0,0,1|2,0,0]=4 4746 B12R1.28 CCCOCc1cc(ncn1)Cl 71f93cfebdcf041f9ac6b540e63934cf [0,1,0,0,0,1|2,0,0]=4 4747 B12R1.28 CCCOCc1cc[nH]c(=O)c1 82206fb059c9c4c36c258eb5d9cc90c9 [0,1,0,0,0,1|2,0,0]=4 4748 B12R1.28 CCCOCc1ccc[n+](c1)[O-] a5e525d8838aa27d20098eb15f253021 [0,1,0,0,0,1|2,0,0]=4 4749 B12R1.28 CCCOCc1cccc(c1)Br 51b265396dee1ad4a9bb63037e020576 [0,1,0,0,0,1|2,0,0]=4 4750 B12R1.28 CCCOCc1cccc(c1)C d8eb8d05914bbe210bfe6d56aae3fe46 [0,1,0,0,0,1|2,0,0]=4 4751 B12R1.28 CCCOCc1cccc(c1)Cl 04967c4422580f79cdb296f010807ced [0,1,0,0,0,1|2,0,0]=4 4752 B12R1.28 CCCOCc1cccc(c1)F 0d807124e5077ad8540130b67a71280a [0,1,0,0,0,1|2,0,0]=4 4753 B12R1.28 CCCOCc1cccc(c1)I 8a2a3d6ad20e441201e59e161816ef78 [0,1,0,0,0,1|2,0,0]=4 4754 B12R1.28 CCCOCc1cccc(n1)Br 5a5029b9d6268213b7c79e92879e6576 [0,1,0,0,0,1|2,0,0]=4 4755 B12R1.28 CCCOCc1cccc(n1)C 108e42919326b113159263e17f8ec3cb [0,1,0,0,0,1|2,0,0]=4 4756 B12R1.28 CCCOCc1cccc(n1)Cl 3837a6848aec96edc567f764a90da8b2 [0,1,0,0,0,1|2,0,0]=4 4757 B12R1.28 CCCOCc1cccc(n1)F c1faf6b0f233e7e9b5654b5be2923e16 [0,1,0,0,0,1|2,0,0]=4 4758 B12R1.28 CCCOCc1cccc(n1)I c8ff9890bec20a11d495514a971eb19a [0,1,0,0,0,1|2,0,0]=4 4759 B12R1.28 CCCOCc1ccnc(=O)[nH]1 6a9acdbf68ab817782410cac6fd56f6d [0,1,0,0,0,1|2,0,0]=4 4760 B12R1.28 CCCOCc1ccnc(c1)Br c7f7b5da6349bbcc876b2af23d30f842 [0,1,0,0,0,1|2,0,0]=4 4761 B12R1.28 CCCOCc1ccnc(c1)C 03df2ec691f193e1ca6cefb2cc28aec4 [0,1,0,0,0,1|2,0,0]=4 4762 B12R1.28 CCCOCc1ccnc(c1)Cl 8dc40d011cb457572b43eb05750f990a [0,1,0,0,0,1|2,0,0]=4 4763 B12R1.28 CCCOCc1ccnc(c1)F 180548efa17c7463918b6585dde9fd6a [0,1,0,0,0,1|2,0,0]=4 4764 B12R1.28 CCCOCc1ccnc(n1)C 1f8f84d51edbdb097cc6195234b1cc6c [0,1,0,0,0,1|2,0,0]=4 4765 B12R1.28 CCCOCc1ccnc(n1)Cl 035fc8a5ba2d6ba9ab40b5af57c13d4a [0,1,0,0,0,1|2,0,0]=4 4766 B12R1.28 CCCOCc1cncc(c1)Br edd1bdceb7f06ff4f246dd95ac80987c [0,1,0,0,0,1|2,0,0]=4 4767 B12R1.28 CCCOCc1cncc(c1)C bb3d63bafa19bc290e3048469cddbe1d [0,1,0,0,0,1|2,0,0]=4 4768 B12R1.28 CCCOCc1cncc(c1)Cl f70d4a97328b3231fc0b7408c19e7a61 [0,1,0,0,0,1|2,0,0]=4 4769 B12R1.28 CCCOCc1cncc(c1)F 8bc920bf2f1a3562c1cb9628fd8a9828 [0,1,0,0,0,1|2,0,0]=4 4770 B12R1.28 CCCOCc1cncc(c1)I 50ec080ea05aa8d0062dba9e76d8769a [0,1,0,0,0,1|2,0,0]=4 4771 B12R1.28 CCCOCc1cncc(n1)Br d3ed14c41f76f70c7325ee44fd00ed4d [0,1,0,0,0,1|2,0,0]=4 4772 B12R1.28 CCCOCc1cncc(n1)Cl 8e925d6fb8dda24bade7d22931771265 [0,1,0,0,0,1|2,0,0]=4 4773 B12R1.28 CCCOCc1nccc(n1)C beb32d76a645457c4d2ffe611eda2fce [0,1,0,0,0,1|2,0,0]=4 4774 B12R1.28 CCCOCc1nccc(n1)Cl 30b1b062e70c7bcdb3df1d2cb714c3c5 [0,1,0,0,0,1|2,0,0]=4 4775 B12R1.28 CCNCCc1cccc(c1)Br 7407aa9054e4fecb39bb7bc51e44c0d3 [0,1,0,0,0,1|2,0,0]=4 4776 B12R1.28 CCNCCc1cccc(c1)C 0b37f05c941770177fcf98d56962ff79 [0,1,0,0,0,1|2,0,0]=4 4777 B12R1.28 CCNCCc1cccc(c1)Cl bb3e937b0c5020373ac596c6a62d7c6c [0,1,0,0,0,1|2,0,0]=4 4778 B12R1.28 CCNCCc1cccc(c1)F b16016975d35bb1c00404543a6d7428f [0,1,0,0,0,1|2,0,0]=4 4779 B12R1.28 CCNCCc1cccc(c1)I b6e52167904a817c188d41fbe58465fb [0,1,0,0,0,1|2,0,0]=4 4780 B12R1.28 CCNCCc1cccc(n1)C 3000329d88efe2a226f3965b3f0354b4 [0,1,0,0,0,1|2,0,0]=4 4781 B12R1.28 CCNCCc1ccnc(c1)C b0eee97d48001267d4883731afd184d6 [0,1,0,0,0,1|2,0,0]=4 4782 B12R1.28 CCNCCc1cncc(c1)F 26f3bd16e308a2630e5283c42fb1b1c0 [0,1,0,0,0,1|2,0,0]=4 4783 B12R1.28 CCOCCc1cc(ccn1)Br 9443eaadded1848b1ec48a92121d84d2 [0,1,0,0,0,1|2,0,0]=4 4784 B12R1.28 CCOCCc1cccc(c1)Br d0f3ea49e7aa78e8012da5ebab2edff3 [0,1,0,0,0,1|2,0,0]=4 4785 B12R1.28 CCOCCc1cccc(c1)C e15d01aec8191a21a4d3b1c3faee8943 [0,1,0,0,0,1|2,0,0]=4 4786 B12R1.28 CCOCCc1cccc(c1)Cl 7d0820bb278ad9103dd8a2b1a1cfa5f9 [0,1,0,0,0,1|2,0,0]=4 4787 B12R1.28 CCOCCc1cccc(c1)F e796a8f4963a7eb406c1cd938057b94f [0,1,0,0,0,1|2,0,0]=4 4788 B12R1.28 CCOCCc1cccc(c1)I 23bb8fca7b33897456b96ef7e6cee085 [0,1,0,0,0,1|2,0,0]=4 4789 B12R1.28 CCOCCc1cccc(n1)Br 9e12569e7cc680edf89a28b25fabeaa5 [0,1,0,0,0,1|2,0,0]=4 4790 B12R1.28 CCOCCc1cccc(n1)C 6a9b5ee2ad20867e1b3d0472855f1891 [0,1,0,0,0,1|2,0,0]=4 4791 B12R1.28 CCOCCc1cccc(n1)Cl 196e1e86d26cd7dae35a23baf851489a [0,1,0,0,0,1|2,0,0]=4 4792 B12R1.28 CCOCCc1ccnc(c1)Cl 110c9b886ad89a3b2bea68ea8c959cf1 [0,1,0,0,0,1|2,0,0]=4 4793 B12R1.28 CCOCCc1cncc(c1)F 3b025a833cca82078668ddbcc40f8614 [0,1,0,0,0,1|2,0,0]=4 4794 B12R1.28 CCOCCc1cncc(n1)Cl bebdee3618169fefb9142581278397d5 [0,1,0,0,0,1|2,0,0]=4 4795 B12R1.30 CCCCN(C)c1ccccc1 5138c426816999d109cc4a6b536acc57 [0,1,0,0,0,1|2,0,0]=4 4796 B12R1.30 CCCCN(C)c1ccccn1 28cd8015bdaf9aae9f5fc252e8d2111d [0,1,0,0,0,1|2,0,0]=4 4797 B12R1.30 CCCCN(C)c1cccnc1 088893a35ea97628d677bdb560c104b8 [0,1,0,0,0,1|2,0,0]=4 4798 B12R1.30 CCCCN(C)c1cccnn1 89c1cc84d694607906e57e7e5d8c3a46 [0,1,0,0,0,1|2,0,0]=4 4799 B12R1.30 CCCCN(C)c1ccncc1 75414bf2a6ccb411945f0546844c595b [0,1,0,0,0,1|2,0,0]=4 4800 B12R1.30 CCCCN(C)c1ccncn1 21d8dcf004ed0bbab20f8d430eb68dd3 [0,1,0,0,0,1|2,0,0]=4 4801 B12R1.30 CCCCN(C)c1cnccn1 98c99516c32f82fb99bc5821f007edcf [0,1,0,0,0,1|2,0,0]=4 4802 B12R1.30 CCCCN(C)c1ncccn1 b87cf80f57d561700ef2f63dfae71dda [0,1,0,0,0,1|2,0,0]=4 4803 B12R1.30 CCCNC(C)c1ccccc1 37d48536a03c5d64ae70e596dd73ed85 [0,1,0,0,0,1|2,0,0]=4 4804 B12R1.30 CCCNC(C)c1ccccn1 cc14fd04410800b4bd6435a8ddd3bb22 [0,1,0,0,0,1|2,0,0]=4 4805 B12R1.30 CCCNC(C)c1cccnc1 ad711bb62eeb1aee43dc7dd8f93d36ef [0,1,0,0,0,1|2,0,0]=4 4806 B12R1.30 CCCNC(C)c1cccnn1 91bef6ccf7ab5b1ecc37eea930adc6f3 [0,1,0,0,0,1|2,0,0]=4 4807 B12R1.30 CCCNC(C)c1ccncc1 5bbf0ec17de63181b9f984c6ee459099 [0,1,0,0,0,1|2,0,0]=4 4808 B12R1.30 CCCNC(C)c1ccncn1 cabe848c08583fb62240b7ebb28a54d8 [0,1,0,0,0,1|2,0,0]=4 4809 B12R1.30 CCCNC(C)c1cnccn1 4e28ad8415574e3e1ea0b16e481ded74 [0,1,0,0,0,1|2,0,0]=4 4810 B12R1.30 CCCNC(C)c1ncccn1 72735f211b841fff2ba38c4964bdc89e [0,1,0,0,0,1|2,0,0]=4 4811 B12R1.30 CCCN[C@@H](C)c1ccccc1 604408ade040f4a9c55069b166a57921 [0,1,0,0,0,1|2,0,0]=4 4812 B12R1.30 CCCN[C@@H](C)c1ccccn1 03c5378eb87bcbab461643e14036da7b [0,1,0,0,0,1|2,0,0]=4 4813 B12R1.30 CCCN[C@@H](C)c1cccnc1 ebfd88cd08246c9c4c8dd5665a36e4de [0,1,0,0,0,1|2,0,0]=4 4814 B12R1.30 CCCN[C@@H](C)c1ccncc1 247a85b98e9473b8ba80ebe1aa76666d [0,1,0,0,0,1|2,0,0]=4 4815 B12R1.30 CCCN[C@H](C)c1ccccc1 b93dc36e1ac43b4dfb18fc821dba383a [0,1,0,0,0,1|2,0,0]=4 4816 B12R1.30 CCCN[C@H](C)c1ccccn1 b254cf125be5ff667ba0c27b98f7399e [0,1,0,0,0,1|2,0,0]=4 4817 B12R1.30 CCCN[C@H](C)c1cccnc1 336ef7d0edfb76e914cc3e6724738449 [0,1,0,0,0,1|2,0,0]=4 4818 B12R1.30 CCCN[C@H](C)c1ccncc1 c38d0e044de489d76af7664dba013771 [0,1,0,0,0,1|2,0,0]=4 4819 B12R1.30 CCCOC(C)c1ccccc1 b3e8a20aaf9fee6fd90ba3c942d17cbb [0,1,0,0,0,1|2,0,0]=4 4820 B12R1.30 CCCOC(C)c1ccccn1 b39d3fe2e04295201526414ffb8b346f [0,1,0,0,0,1|2,0,0]=4 4821 B12R1.30 CCCOC(C)c1cccnc1 b4a5c4f0d8d2d6a3dec1c8ec47f4f20f [0,1,0,0,0,1|2,0,0]=4 4822 B12R1.30 CCCOC(C)c1cccnn1 dbc29eb8155416655d21726e180a271c [0,1,0,0,0,1|2,0,0]=4 4823 B12R1.30 CCCOC(C)c1ccncc1 23b85e46df5ec55325d031745f8d75b2 [0,1,0,0,0,1|2,0,0]=4 4824 B12R1.30 CCCOC(C)c1cnccn1 4299c6c51693e9ffa4917243495f6064 [0,1,0,0,0,1|2,0,0]=4 4825 B12R1.30 CCCOC(C)c1ncccn1 fb06000019c7617767b94335fe2c0dce [0,1,0,0,0,1|2,0,0]=4 4826 B12R1.30 CCCO[C@@H](C)c1ccccc1 b5a89a5e2269c078fad9874c053ef84d [0,1,0,0,0,1|2,0,0]=4 4827 B12R1.30 CCCO[C@@H](C)c1ccccn1 180a656c513628a596211eb51193e51c [0,1,0,0,0,1|2,0,0]=4 4828 B12R1.30 CCCO[C@@H](C)c1cccnc1 a6442581c5df29535d93cb8f5fa5694f [0,1,0,0,0,1|2,0,0]=4 4829 B12R1.30 CCCO[C@@H](C)c1ccncc1 f346339788fa1f3b54ec1b08208e6598 [0,1,0,0,0,1|2,0,0]=4 4830 B12R1.30 CCCO[C@@H](C)c1ccncn1 3eb8112858fffed2c75f8ad0fdf97d61 [0,1,0,0,0,1|2,0,0]=4 4831 B12R1.30 CCCO[C@@H](C)c1cnccn1 d510915090cb0263183ec6af29fdbf7d [0,1,0,0,0,1|2,0,0]=4 4832 B12R1.30 CCCO[C@@H](C)c1ncccn1 1040378add10d12bd4a753b845a4b1df [0,1,0,0,0,1|2,0,0]=4 4833 B12R1.30 CCCO[C@H](C)c1ccccc1 ae53c06444379dfac4167ac84138cfb9 [0,1,0,0,0,1|2,0,0]=4 4834 B12R1.30 CCCO[C@H](C)c1ccccn1 59ae42f1d2cbb8cb8fe36530c47f41d1 [0,1,0,0,0,1|2,0,0]=4 4835 B12R1.30 CCCO[C@H](C)c1cccnc1 fec7058011aa3e2c96cfd1d3b525aa6e [0,1,0,0,0,1|2,0,0]=4 4836 B12R1.30 CCCO[C@H](C)c1cccnn1 5367bf5d4aa77dfd47ea27bfcee6ea8c [0,1,0,0,0,1|2,0,0]=4 4837 B12R1.30 CCCO[C@H](C)c1ccncc1 cb8ccc8bc89fedd96f0e6231288da52e [0,1,0,0,0,1|2,0,0]=4 4838 B12R1.30 CCCO[C@H](C)c1cnccn1 df70c13c08be6c0da83a94b74bf03245 [0,1,0,0,0,1|2,0,0]=4 4839 B12R1.30 CCCO[C@H](C)c1ncccn1 5ac02d395e6aecd416cc185f1c3ee11f [0,1,0,0,0,1|2,0,0]=4 4840 B12R1.30 CCNCC(C)c1ccccc1 9cbf919020878038d0809e43f1be15bb [0,1,0,0,0,1|2,0,0]=4 4841 B12R1.30 CCNCC(O)c1ccccc1 2c7684bc90e6b6f2eb9cc788b34e49e9 [0,1,0,0,0,1|2,0,0]=4 4842 B12R1.30 CCNCC(O)c1ccccn1 6b1c434bb8a1b8b261ec43b19c8a9bde [0,1,0,0,0,1|2,0,0]=4 4843 B12R1.30 CCNCC(O)c1cccnc1 855e09cd2dd0a891326c5d3074b7ce5d [0,1,0,0,0,1|2,0,0]=4 4844 B12R1.30 CCNCC(O)c1ccncc1 3f7210030fe9a0f2bae5b80e88f85abe [0,1,0,0,0,1|2,0,0]=4 4845 B12R1.30 CCNC[C@@H](C)c1ccccc1 6865a599cc7f5b285bd8c007b28c9b34 [0,1,0,0,0,1|2,0,0]=4 4846 B12R1.30 CCNC[C@@H](O)c1ccccc1 1fa8d71540df38b9b8cbd54368ff1949 [0,1,0,0,0,1|2,0,0]=4 4847 B12R1.30 CCNC[C@H](C)c1ccccc1 ff4ae3e1c0acb37fe8ab1f33c54ee87a [0,1,0,0,0,1|2,0,0]=4 4848 B12R1.30 CCNC[C@H](O)c1ccccc1 a3ad7a2afde7d6051248f34aaf7ade1e [0,1,0,0,0,1|2,0,0]=4 4849 B12R1.30 CCOCC(C)c1ccccc1 7d0863132e6f64e2e8f3b829c1ba4213 [0,1,0,0,0,1|2,0,0]=4 4850 B12R1.30 CCOCC(C)c1ccccn1 2d50cc0927617393348c2ce87012ad45 [0,1,0,0,0,1|2,0,0]=4 4851 B12R1.30 CCOC[C@@H](C)c1ccccc1 5d4adf02715a7dc88fd8e9ed1c1ccac0 [0,1,0,0,0,1|2,0,0]=4 4852 B12R1.30 CCOC[C@H](C)c1ccccc1 71da89b37784dc3a33c9c6970d6f6435 [0,1,0,0,0,1|2,0,0]=4 4853 B12R1.32 CCCC(C)Nc1ccccc1 0980d123cfa1556625b2cd315916fb5f [0,1,0,0,0,1|2,0,0]=4 4854 B12R1.32 CCCC(C)Nc1ccccn1 2669f8567b938ac2a918e85bd69bb770 [0,1,0,0,0,1|2,0,0]=4 4855 B12R1.32 CCCC(C)Nc1cccnc1 af2a7472e895c61981327f4b8de00ee9 [0,1,0,0,0,1|2,0,0]=4 4856 B12R1.32 CCCC(C)Nc1cccnn1 4a3b3a4f6b8f10fdeb3fd5d91ccf093d [0,1,0,0,0,1|2,0,0]=4 4857 B12R1.32 CCCC(C)Nc1ccncc1 bc7c26623f29f55d18fe6bfa5e660a5e [0,1,0,0,0,1|2,0,0]=4 4858 B12R1.32 CCCC(C)Nc1ccncn1 bf09bd647cc46ecda3ce4818cf198305 [0,1,0,0,0,1|2,0,0]=4 4859 B12R1.32 CCCC(C)Nc1cnccn1 5e0ac452f66c3352f66df0a830175170 [0,1,0,0,0,1|2,0,0]=4 4860 B12R1.32 CCCC(C)Nc1ncccn1 f5359d73c3bdd7abf380648d4f2a798d [0,1,0,0,0,1|2,0,0]=4 4861 B12R1.32 CCCC(C)Oc1ccccn1 f14a322e30e4491e36792a6fd64a30e7 [0,1,0,0,0,1|2,0,0]=4 4862 B12R1.32 CCCC(C)Oc1cccnc1 16283b7b4266224a92efdc8338a94776 [0,1,0,0,0,1|2,0,0]=4 4863 B12R1.32 CCCC(C)Oc1ccncc1 b9d7beb71b6c3dd797277820c00f9552 [0,1,0,0,0,1|2,0,0]=4 4864 B12R1.32 CCCC(C)Oc1cnccn1 1992d4e0d8a70e195f806a9236813dfa [0,1,0,0,0,1|2,0,0]=4 4865 B12R1.32 CCCC(C)Oc1ncccn1 d3295436c2eb03b3c01a07b1fcfb9cf9 [0,1,0,0,0,1|2,0,0]=4 4866 B12R1.32 CCCN(C)Cc1ccccc1 4eed5f3692a34dc05deac3e14f757f4f [0,1,0,0,0,1|2,0,0]=4 4867 B12R1.32 CCCN(C)Cc1ccccn1 2ba7f31870dc6781d668ec555cfac4b5 [0,1,0,0,0,1|2,0,0]=4 4868 B12R1.32 CCCN(C)Cc1cccnc1 60746a1075dd28e04eb10086fae0b820 [0,1,0,0,0,1|2,0,0]=4 4869 B12R1.32 CCCN(C)Cc1cccnn1 de5c0eb74cd9abbe9449532ba3643c60 [0,1,0,0,0,1|2,0,0]=4 4870 B12R1.32 CCCN(C)Cc1ccncc1 a69c5a082934587e8fadc56e06a02243 [0,1,0,0,0,1|2,0,0]=4 4871 B12R1.32 CCCN(C)Cc1ccncn1 78a7bf5a92439733e2b906d9c64899e7 [0,1,0,0,0,1|2,0,0]=4 4872 B12R1.32 CCCN(C)Cc1cnccn1 3b47eeecf77069f5bfd14dcb1d5a3e6b [0,1,0,0,0,1|2,0,0]=4 4873 B12R1.32 CCCN(C)Cc1ncccn1 91898f0226343ba16725efb2855aaaa9 [0,1,0,0,0,1|2,0,0]=4 4874 B12R1.32 CCC[C@H](C)Nc1ccccc1 14114dc7aca9a95d33818d8f8cfafa73 [0,1,0,0,0,1|2,0,0]=4 4875 B12R1.32 CCNC(C)Cc1ccccn1 3f739570fdaf944ffb41444c69149a83 [0,1,0,0,0,1|2,0,0]=4 4876 B12R1.32 CCNC(C)Cc1cccnc1 1c73ce06501092b14624237b8eaa830e [0,1,0,0,0,1|2,0,0]=4 4877 B12R1.32 CCNC(C)Cc1ccncc1 1ac39eab33f6c8633237d01993a17382 [0,1,0,0,0,1|2,0,0]=4 4878 B12R1.32 CCNC(C)Cc1cnccn1 bda15725b23b5e321786fab09c3daddb [0,1,0,0,0,1|2,0,0]=4 4879 B12R1.32 CCOC(C)Cc1ccccc1 37a2c2b5ef50b1a7cf2088b7456e4451 [0,1,0,0,0,1|2,0,0]=4 4880 B12R1.32 CCOC(C)Cc1ccccn1 144eae020541eabb52d7b3534ceef0a4 [0,1,0,0,0,1|2,0,0]=4 4881 B12R1.32 CCOC(C)Cc1cnccn1 3ecdf3d8e361b30d87e2f6f581391495 [0,1,0,0,0,1|2,0,0]=4 4882 B12R1.32 CCO[C@@H](C)Cc1ccccc1 19276107fa4d022850aeee4089dafd0c [0,1,0,0,0,1|2,0,0]=4 4883 B12R1.32 CCO[C@H](C)Cc1ccccc1 2f8e91d1dc9d2f9667dcff63e87e082c [0,1,0,0,0,1|2,0,0]=4 4884 B12R1.252 CC(C)CCNc1ccccc1 a9665cd268e7b4518a4ee939be46ff28 [0,1,0,0,0,1|2,0,0]=4 4885 B12R1.252 CC(C)CCNc1ccccn1 5b6942b64e33834b458baec7cf378581 [0,1,0,0,0,1|2,0,0]=4 4886 B12R1.252 CC(C)CCNc1cccnc1 69f5877c25712220cf9d8582cf74056f [0,1,0,0,0,1|2,0,0]=4 4887 B12R1.252 CC(C)CCNc1cccnn1 49603a690558b49ae61b3e35c8c0d434 [0,1,0,0,0,1|2,0,0]=4 4888 B12R1.252 CC(C)CCNc1ccncc1 51f5e7e7cccdd7bf4f868dbc1d306bf9 [0,1,0,0,0,1|2,0,0]=4 4889 B12R1.252 CC(C)CCNc1ccncn1 ecd6f70845650d07dedc7bc6c4ecaf3e [0,1,0,0,0,1|2,0,0]=4 4890 B12R1.252 CC(C)CCNc1cnccn1 97e2470ed9c067d0275d682bf33fd1a4 [0,1,0,0,0,1|2,0,0]=4 4891 B12R1.252 CC(C)CCNc1ncccn1 fa06639a03be4eb7f54f05de582700f7 [0,1,0,0,0,1|2,0,0]=4 4892 B12R1.252 CC(C)CCOc1ccccn1 7f883afab874ab8f83be331ad8cd7edb [0,1,0,0,0,1|2,0,0]=4 4893 B12R1.252 CC(C)CCOc1cccnc1 b89b58f2b508e626016a4b78466a2d25 [0,1,0,0,0,1|2,0,0]=4 4894 B12R1.252 CC(C)CCOc1ccncc1 d280f435e28fd77803bc44ac9ebf5e18 [0,1,0,0,0,1|2,0,0]=4 4895 B12R1.252 CC(C)CCOc1cnccn1 73ba6622223f14158ed8b6786344556e [0,1,0,0,0,1|2,0,0]=4 4896 B12R1.252 CC(C)CCOc1ncccn1 d292c3b5e983ca259d629766547f8fee [0,1,0,0,0,1|2,0,0]=4 4897 B12R1.252 CC(C)CNCc1ccccc1 c48ab8ad76cb980676fd518bfed01255 [0,1,0,0,0,1|2,0,0]=4 4898 B12R1.252 CC(C)CNCc1ccccn1 6d7ebb6c45d12163344e2670abad50d7 [0,1,0,0,0,1|2,0,0]=4 4899 B12R1.252 CC(C)CNCc1cccnc1 317cc81cae733d174c088ce8c918791e [0,1,0,0,0,1|2,0,0]=4 4900 B12R1.252 CC(C)CNCc1cccnn1 84be549ae7f23e584a9cd16132c3740f [0,1,0,0,0,1|2,0,0]=4 4901 B12R1.252 CC(C)CNCc1ccncc1 e68ace07204ad5f64fa8daf124fe226c [0,1,0,0,0,1|2,0,0]=4 4902 B12R1.252 CC(C)CNCc1ccncn1 7c1867cd40dfe052b1c70621dd586356 [0,1,0,0,0,1|2,0,0]=4 4903 B12R1.252 CC(C)CNCc1cnccn1 0929626c3926e9b5408d0567fa20c060 [0,1,0,0,0,1|2,0,0]=4 4904 B12R1.252 CC(C)CNCc1ncccn1 056b2d50b9d93d6eca9e998d6d806e1a [0,1,0,0,0,1|2,0,0]=4 4905 B12R1.252 CC(C)COCc1ccccc1 5769ac6c29ea9be863f0068a3148d1e9 [0,1,0,0,0,1|2,0,0]=4 4906 B12R1.252 CC(C)COCc1ccccn1 41f471be8d0443a395a59a6edd4b2170 [0,1,0,0,0,1|2,0,0]=4 4907 B12R1.252 CC(C)COCc1cccnc1 e949ee90c476dd3afee631c02891b751 [0,1,0,0,0,1|2,0,0]=4 4908 B12R1.252 CC(C)COCc1cccnn1 bcec46c8daa86302f285ba1f41a4db4d [0,1,0,0,0,1|2,0,0]=4 4909 B12R1.252 CC(C)COCc1ccncc1 243716518cbf836169ff83c6e87d1a68 [0,1,0,0,0,1|2,0,0]=4 4910 B12R1.252 CC(C)COCc1ccncn1 504e9144090fa54e034f83efb4a8bc6c [0,1,0,0,0,1|2,0,0]=4 4911 B12R1.252 CC(C)COCc1cnccn1 54d1f572f89be35af98ac5c6d0a00bd4 [0,1,0,0,0,1|2,0,0]=4 4912 B12R1.252 CC(C)COCc1ncccn1 33688b887bd33e4027684b65bbdc620c [0,1,0,0,0,1|2,0,0]=4 4913 B12R1.252 CC(C)NCCc1ccccc1 800f62166be48d31d0f1f8e8246a3d11 [0,1,0,0,0,1|2,0,0]=4 4914 B12R1.252 CC(C)NCCc1ccccn1 60db3ccccaed87369474311fbbb2ee61 [0,1,0,0,0,1|2,0,0]=4 4915 B12R1.252 CC(C)NCCc1cccnc1 f39609cf740b878733069b3389a379d4 [0,1,0,0,0,1|2,0,0]=4 4916 B12R1.252 CC(C)NCCc1ccncc1 2e03fedf55e71e95c0abd0f4865dc22e [0,1,0,0,0,1|2,0,0]=4 4917 B12R1.252 CC(C)NCCc1ccncn1 f7502abf563207bb5d53cb2d326dbabf [0,1,0,0,0,1|2,0,0]=4 4918 B12R1.252 CC(C)NCCc1cnccn1 35c3b70c1897dffd7b3a32c2343123fc [0,1,0,0,0,1|2,0,0]=4 4919 B12R1.252 CC(C)NCCc1ncccn1 794cc03a494745a4fc8f3acdee35c851 [0,1,0,0,0,1|2,0,0]=4 4920 B12R1.252 CC(C)OCCc1ccccc1 cd2036e50db53ec52d80c5b70290b19c [0,1,0,0,0,1|2,0,0]=4 4921 B12R1.252 CC(C)OCCc1ccccn1 618810b4708a73ec52035c34c4054b87 [0,1,0,0,0,1|2,0,0]=4 4922 B12R1.252 CC(C)OCCc1cccnc1 ad83d4217e0420d4f686447a978fc953 [0,1,0,0,0,1|2,0,0]=4 4923 B12R1.252 CC(C)OCCc1ccncc1 07cefd4f30952a7fff1efa12f3f8cb0e [0,1,0,0,0,1|2,0,0]=4 4924 B12R1.252 CC(C)OCCc1ccncn1 f1ce6c97a497c9e91937eebb9f30c7a6 [0,1,0,0,0,1|2,0,0]=4 4925 B12R1.252 CC(C)OCCc1cnccn1 ae26b65e22ea6fcf5c22fdff048110ff [0,1,0,0,0,1|2,0,0]=4 4926 B12R1.252 CC(C)OCCc1ncccn1 c1c5cf56502b5e60b3dba4a7a219c587 [0,1,0,0,0,1|2,0,0]=4 4927 B12R1.252 CC(F)COCc1ccccc1 ceaaa348669e5aa8cbad2a4c64558f8e [0,1,0,0,0,1|2,0,0]=4 4928 B12R1.252 CC(F)COCc1ccccn1 476695497df80cb7c084184b5b43d035 [0,1,0,0,0,1|2,0,0]=4 4929 B12R1.252 CC(F)COCc1cccnc1 c074e95bfd5d6d05bfe23c42186cba2a [0,1,0,0,0,1|2,0,0]=4 4930 B12R1.252 CC(F)COCc1cccnn1 a8676d0003d9a388121c44b40728d121 [0,1,0,0,0,1|2,0,0]=4 4931 B12R1.252 CC(F)COCc1ccncn1 e66fcc367d7980f6bc6aae01f6a3dcca [0,1,0,0,0,1|2,0,0]=4 4932 B12R1.252 CC(F)COCc1ncccn1 b164a01eba2e6ffed2b68a89c16a263d [0,1,0,0,0,1|2,0,0]=4 4933 B12R1.252 CC(O)CCNc1ccccc1 5c6c9358fbd8939fc6c9f54dcb2d3a37 [0,1,0,0,0,1|2,0,0]=4 4934 B12R1.252 CC(O)CCNc1ccccn1 97031b4d64979d289ef04acc206d003e [0,1,0,0,0,1|2,0,0]=4 4935 B12R1.252 CC(O)CCNc1cccnc1 ddabe466465a030ebf6055c0cc168740 [0,1,0,0,0,1|2,0,0]=4 4936 B12R1.252 CC(O)CCNc1cccnn1 47b97190e8ab1842f9cd5e0dee7ed3e8 [0,1,0,0,0,1|2,0,0]=4 4937 B12R1.252 CC(O)CCNc1ccncc1 c1ccc95455595767ca368700397c2d43 [0,1,0,0,0,1|2,0,0]=4 4938 B12R1.252 CC(O)CCNc1ccncn1 ebd00d7ab06f73cce67a72b6f0de4119 [0,1,0,0,0,1|2,0,0]=4 4939 B12R1.252 CC(O)CCNc1cnccn1 6eb47df63aaf1411aa20597fd2d69a7f [0,1,0,0,0,1|2,0,0]=4 4940 B12R1.252 CC(O)CCNc1ncccn1 225479af487259f3587dee9eb87e8f0e [0,1,0,0,0,1|2,0,0]=4 4941 B12R1.252 CC(O)CNCc1ccccc1 19d19f96fb686d7cbd72f5df359e9dd8 [0,1,0,0,0,1|2,0,0]=4 4942 B12R1.252 CC(O)CNCc1ccccn1 e28c29c938e18ad1238cd975f89a06a8 [0,1,0,0,0,1|2,0,0]=4 4943 B12R1.252 CC(O)CNCc1cccnc1 0379a455e7b583f17fba58d3189059b6 [0,1,0,0,0,1|2,0,0]=4 4944 B12R1.252 CC(O)CNCc1cccnn1 ca0f502bcc801933ee5c767e5093148e [0,1,0,0,0,1|2,0,0]=4 4945 B12R1.252 CC(O)CNCc1ccncc1 e21fcdc654ebe2a7b579b387cc55b8af [0,1,0,0,0,1|2,0,0]=4 4946 B12R1.252 CC(O)CNCc1ccncn1 7a5d78fb681ded42d2d147fe1c55e164 [0,1,0,0,0,1|2,0,0]=4 4947 B12R1.252 CC(O)CNCc1cnccn1 c8835bddb9845c918606787997b443d4 [0,1,0,0,0,1|2,0,0]=4 4948 B12R1.252 CC(O)CNCc1ncccn1 94e03f4ed43c28d3bc90554d2a7d489e [0,1,0,0,0,1|2,0,0]=4 4949 B12R1.252 CC(S)COCc1ccccc1 a2dbb8c27ced04cd31e27a2a08aed095 [0,1,0,0,0,1|2,0,0]=4 4950 B12R1.252 CC(S)COCc1ccccn1 a4f3c7b4dcc63c52aaa45bb366b1ace4 [0,1,0,0,0,1|2,0,0]=4 4951 B12R1.252 CC(S)COCc1cccnc1 355ce467de5bbf28efe4538348b90e14 [0,1,0,0,0,1|2,0,0]=4 4952 B12R1.252 CC(S)COCc1cccnn1 d2ecb2d0e631a99f442e857229dbdd98 [0,1,0,0,0,1|2,0,0]=4 4953 B12R1.252 CC(S)COCc1ccncn1 950c30d73f3928e6c48b7ade8fe9fd37 [0,1,0,0,0,1|2,0,0]=4 4954 B12R1.252 CC(S)COCc1ncccn1 f43e202e339061758ab99ff5a34648cc [0,1,0,0,0,1|2,0,0]=4 4955 B12R1.252 C[C@@H](F)COCc1ccccc1 ba1a50f79e3a1a52d90fe2949f8a3658 [0,1,0,0,0,1|2,0,0]=4 4956 B12R1.252 C[C@@H](F)COCc1ccccn1 25305c43f86a522a8b001eca7d58c6e1 [0,1,0,0,0,1|2,0,0]=4 4957 B12R1.252 C[C@@H](F)COCc1cccnc1 aed0ead164612a30bbdf73120135ebce [0,1,0,0,0,1|2,0,0]=4 4958 B12R1.252 C[C@@H](F)COCc1cccnn1 06cb4b03e5d2138a02ec68b491d736db [0,1,0,0,0,1|2,0,0]=4 4959 B12R1.252 C[C@@H](F)COCc1ccncn1 719b49a72c09f7d762d98352aa2ee153 [0,1,0,0,0,1|2,0,0]=4 4960 B12R1.252 C[C@@H](F)COCc1ncccn1 0be2c0fc83116bf68d16d48e2175abbd [0,1,0,0,0,1|2,0,0]=4 4961 B12R1.252 C[C@@H](O)CCNc1ccccc1 3c324f6ae4acc93f637fccf82ee7ce0d [0,1,0,0,0,1|2,0,0]=4 4962 B12R1.252 C[C@@H](O)CCNc1cccnc1 d2f9effd7c499379710e94d2300db828 [0,1,0,0,0,1|2,0,0]=4 4963 B12R1.252 C[C@@H](O)CCNc1cccnn1 cf73112336214ad7cbf0dc1846b2b8b5 [0,1,0,0,0,1|2,0,0]=4 4964 B12R1.252 C[C@@H](O)CCNc1ccncc1 1357dd9581462a38875d3aa4d1c252b3 [0,1,0,0,0,1|2,0,0]=4 4965 B12R1.252 C[C@@H](O)CCNc1ccncn1 e9c337d98b4124b083ec155c782d5afc [0,1,0,0,0,1|2,0,0]=4 4966 B12R1.252 C[C@@H](O)CCNc1cnccn1 d98d70b012f52698df30b7825b3d3f44 [0,1,0,0,0,1|2,0,0]=4 4967 B12R1.252 C[C@@H](O)CNCc1ccccc1 6c2312c00225852faacfd748f3e179a9 [0,1,0,0,0,1|2,0,0]=4 4968 B12R1.252 C[C@@H](O)CNCc1ccccn1 451f5ffb0f29e3e72e062344afb5a2f0 [0,1,0,0,0,1|2,0,0]=4 4969 B12R1.252 C[C@@H](O)CNCc1cccnc1 b84ffcc76f02e485a00f4000a256d608 [0,1,0,0,0,1|2,0,0]=4 4970 B12R1.252 C[C@@H](O)CNCc1cccnn1 cd1031e294d6f0d361dd47fa33d49ff3 [0,1,0,0,0,1|2,0,0]=4 4971 B12R1.252 C[C@@H](O)CNCc1ccncc1 ae74cf20bb99ef533f01677aac980ef0 [0,1,0,0,0,1|2,0,0]=4 4972 B12R1.252 C[C@@H](O)CNCc1ccncn1 736b6f19c1f730535787b4bd97f49fab [0,1,0,0,0,1|2,0,0]=4 4973 B12R1.252 C[C@@H](O)CNCc1cnccn1 eef2e176f843886c7abc553819e37052 [0,1,0,0,0,1|2,0,0]=4 4974 B12R1.252 C[C@@H](O)CNCc1ncccn1 0624e3b4e312bb88305cee2546fdfafe [0,1,0,0,0,1|2,0,0]=4 4975 B12R1.252 C[C@H](F)COCc1ccccc1 bbc793e84de595855390c7dc0e162e4e [0,1,0,0,0,1|2,0,0]=4 4976 B12R1.252 C[C@H](F)COCc1ccccn1 1c3e68e8b7d209c95b5abd8e99134585 [0,1,0,0,0,1|2,0,0]=4 4977 B12R1.252 C[C@H](F)COCc1cccnc1 0c09d4ffa6c243373fe47064ad603e31 [0,1,0,0,0,1|2,0,0]=4 4978 B12R1.252 C[C@H](F)COCc1cccnn1 2be52db7760fdc7844e251123071f59c [0,1,0,0,0,1|2,0,0]=4 4979 B12R1.252 C[C@H](F)COCc1ccncn1 7bca4df3c29ccb83ca7218b56534d104 [0,1,0,0,0,1|2,0,0]=4 4980 B12R1.252 C[C@H](F)COCc1ncccn1 7af5a27af441f4087010aeedfc65f0ba [0,1,0,0,0,1|2,0,0]=4 4981 B12R1.252 C[C@H](O)CCNc1ccccc1 6e2f4bd6880dfbdf2c0288d2956dbdc6 [0,1,0,0,0,1|2,0,0]=4 4982 B12R1.252 C[C@H](O)CCNc1cccnc1 a74a77e227ccf23689573201eeb443f8 [0,1,0,0,0,1|2,0,0]=4 4983 B12R1.252 C[C@H](O)CCNc1cccnn1 c62b16aa58dfc3c8ac3d7053343062a4 [0,1,0,0,0,1|2,0,0]=4 4984 B12R1.252 C[C@H](O)CCNc1ccncc1 b387b9f25ac0f7430597235bfa1a1caf [0,1,0,0,0,1|2,0,0]=4 4985 B12R1.252 C[C@H](O)CCNc1ccncn1 4320134883fca98ee018037af11033ea [0,1,0,0,0,1|2,0,0]=4 4986 B12R1.252 C[C@H](O)CCNc1cnccn1 5d34a9c581c97e3e5cec72109f7ba47d [0,1,0,0,0,1|2,0,0]=4 4987 B12R1.252 C[C@H](O)CNCc1ccccc1 300dc860ca45284f1e63efe30c8515f8 [0,1,0,0,0,1|2,0,0]=4 4988 B12R1.252 C[C@H](O)CNCc1ccccn1 b271f5c0c0f30c343eeedababca7e2eb [0,1,0,0,0,1|2,0,0]=4 4989 B12R1.252 C[C@H](O)CNCc1cccnc1 4f2f0e9e68ec9a4c8887410d5a461943 [0,1,0,0,0,1|2,0,0]=4 4990 B12R1.252 C[C@H](O)CNCc1cccnn1 30faf4d5d2d2cfc53436874f05fa4323 [0,1,0,0,0,1|2,0,0]=4 4991 B12R1.252 C[C@H](O)CNCc1ccncc1 efb723b5ed38065d1ff8f191a8967ccc [0,1,0,0,0,1|2,0,0]=4 4992 B12R1.252 C[C@H](O)CNCc1ccncn1 f524766be8fbe3d3ed19bfa5c9a61a28 [0,1,0,0,0,1|2,0,0]=4 4993 B12R1.252 C[C@H](O)CNCc1cnccn1 3fe1c33c64283497dd89455f2ff7b9fd [0,1,0,0,0,1|2,0,0]=4 4994 B12R1.252 C[C@H](O)CNCc1ncccn1 76fcffd630239efd786e389061949a13 [0,1,0,0,0,1|2,0,0]=4 4995 B12R1.267 CCCCNc1c[nH]ccc1=O 2171ac1739f21a07081f9ae550f8b6ac [0,1,0,0,0,1|2,0,0]=4 4996 B12R1.267 CCCCNc1c[nH]ccc1=S 80de505aef21eb5fa7069124342902d9 [0,1,0,0,0,1|2,0,0]=4 4997 B12R1.267 CCCCNc1ccc[nH]c1=O ce3e3dbadb26f7436b51db73de858518 [0,1,0,0,0,1|2,0,0]=4 4998 B12R1.267 CCCCNc1ccc[nH]c1=S b876b48cd50df01bff05030a1adde4c2 [0,1,0,0,0,1|2,0,0]=4 4999 B12R1.267 CCCCNc1cccc[n+]1[O-] 3d4bcbc977ce2351df47fd6e0e521d2c [0,1,0,0,0,1|2,0,0]=4 5000 B12R1.267 CCCCNc1ccccc1C cb964fe2d8cfd23c2726cd74a242470b [0,1,0,0,0,1|2,0,0]=4 5001 B12R1.267 CCCCNc1ccccc1Cl 6e7205e8041766fa9aa32cc4e4316fea [0,1,0,0,0,1|2,0,0]=4 5002 B12R1.267 CCCCNc1ccccc1F 93bd26ef4df061c2dc223f5480ce42a3 [0,1,0,0,0,1|2,0,0]=4 5003 B12R1.267 CCCCNc1ccccc1I 8f5af43ba97bf9951ca4d8417a9a57f0 [0,1,0,0,0,1|2,0,0]=4 5004 B12R1.267 CCCCNc1cccnc1Br d3fec478ced1ff0ac4fbfdd57afe172f [0,1,0,0,0,1|2,0,0]=4 5005 B12R1.267 CCCCNc1cccnc1C fad811ff1fa797428fe957bb5e80f5b5 [0,1,0,0,0,1|2,0,0]=4 5006 B12R1.267 CCCCNc1cccnc1Cl ecd1cb3831f5cdfff9b8af4e60d6c2d2 [0,1,0,0,0,1|2,0,0]=4 5007 B12R1.267 CCCCNc1cccnc1F 7ba1ab80518b5062e828d488462f4a2a [0,1,0,0,0,1|2,0,0]=4 5008 B12R1.267 CCCCNc1cccnc1I 9e5a45eda318e7f3ec1ea2b2b4ca580d [0,1,0,0,0,1|2,0,0]=4 5009 B12R1.267 CCCCNc1ccncc1Br 38b090ca0fa5d237d5610ce2c8b20b98 [0,1,0,0,0,1|2,0,0]=4 5010 B12R1.267 CCCCNc1ccncc1C d67d07991761cc4a161bc3b26e7f4ef8 [0,1,0,0,0,1|2,0,0]=4 5011 B12R1.267 CCCCNc1ccncc1Cl 03f85acdcbfb67330f7a401e47a86f4c [0,1,0,0,0,1|2,0,0]=4 5012 B12R1.267 CCCCNc1ccncc1F aad2d25647de24e38769f9c56e6ccf17 [0,1,0,0,0,1|2,0,0]=4 5013 B12R1.267 CCCCNc1ccncc1I 2b4fd0f3bfb9485f6b76852afd0c3b7b [0,1,0,0,0,1|2,0,0]=4 5014 B12R1.267 CCCCNc1cnccc1Br 46f073a4eb1bd7b603173a59f49e462f [0,1,0,0,0,1|2,0,0]=4 5015 B12R1.267 CCCCNc1cnccc1C d787f90e53c25369bc2f084e970b28cf [0,1,0,0,0,1|2,0,0]=4 5016 B12R1.267 CCCCNc1cnccc1Cl 7a5121c3fe1c8fc7bff0ae3db1f40f96 [0,1,0,0,0,1|2,0,0]=4 5017 B12R1.267 CCCCNc1cnccc1F 8064f0adec282f6830fdf8a889ea69a6 [0,1,0,0,0,1|2,0,0]=4 5018 B12R1.267 CCCCNc1cnccc1I fae1a251059b35a37690087eeb65c0aa [0,1,0,0,0,1|2,0,0]=4 5019 B12R1.267 CCCCNc1ncccc1Br 98d92c92f32632a244bed8738209b7df [0,1,0,0,0,1|2,0,0]=4 5020 B12R1.267 CCCCNc1ncccc1C 2e45a4067d865d7da64955a121039499 [0,1,0,0,0,1|2,0,0]=4 5021 B12R1.267 CCCCNc1ncccc1Cl ed6b56853a49eb692493900894acd752 [0,1,0,0,0,1|2,0,0]=4 5022 B12R1.267 CCCCNc1ncccc1F 58ff30c99c1396a51f881d44eff8cf3a [0,1,0,0,0,1|2,0,0]=4 5023 B12R1.267 CCCCNc1ncccc1I 88b4e5d654855dc8008f4dd0d3d049d8 [0,1,0,0,0,1|2,0,0]=4 5024 B12R1.267 CCCCNc1nccnc1Br b84df34f2e02d04ba7e924039ee6a90f [0,1,0,0,0,1|2,0,0]=4 5025 B12R1.267 CCCCNc1nccnc1C 90bc1b429aae368cae98fb58d90157ff [0,1,0,0,0,1|2,0,0]=4 5026 B12R1.267 CCCCNc1nccnc1Cl 4d647f8003093214a4348441e5a9474f [0,1,0,0,0,1|2,0,0]=4 5027 B12R1.267 CCCCNc1nccnc1I f68a6d7b34f28ff1bebdc1491aad029c [0,1,0,0,0,1|2,0,0]=4 5028 B12R1.267 CCCCNc1ncncc1Br 7ec6e03d939a49d20ea59c47546c84fe [0,1,0,0,0,1|2,0,0]=4 5029 B12R1.267 CCCCNc1ncncc1C 8d8e49f4784b694030e591b2af8126d8 [0,1,0,0,0,1|2,0,0]=4 5030 B12R1.267 CCCCNc1ncncc1Cl b0bff6fafd6e32916a0e1f949bfe575c [0,1,0,0,0,1|2,0,0]=4 5031 B12R1.267 CCCCNc1ncncc1F c8d978988f96fc8f9488230cf1e2cd77 [0,1,0,0,0,1|2,0,0]=4 5032 B12R1.267 CCCCNc1ncncc1I a83bcbfe0cfa08f1ae0b721a291164df [0,1,0,0,0,1|2,0,0]=4 5033 B12R1.267 CCCCNc1nnccc1C cfcb202ba96e64ba206f344372a63d6a [0,1,0,0,0,1|2,0,0]=4 5034 B12R1.267 CCCCOc1ccc[nH]c1=S 1acec24485cc03175cb8a8431599b7e2 [0,1,0,0,0,1|2,0,0]=4 5035 B12R1.267 CCCCOc1cccc[n+]1[O-] d61ca1438e8f234b267eec7da5f851e7 [0,1,0,0,0,1|2,0,0]=4 5036 B12R1.267 CCCCOc1ccccc1Br bcff99237489f480dc72197e24e0097e [0,1,0,0,0,1|2,0,0]=4 5037 B12R1.267 CCCCOc1ccccc1C 803afc2ce1e6d5fa1371cac971668549 [0,1,0,0,0,1|2,0,0]=4 5038 B12R1.267 CCCCOc1ccccc1Cl 6c2563b268f47d5f170b183906091886 [0,1,0,0,0,1|2,0,0]=4 5039 B12R1.267 CCCCOc1ccccc1F 9ca00bd7723e1d9e4d21ded7a0988504 [0,1,0,0,0,1|2,0,0]=4 5040 B12R1.267 CCCCOc1ccccc1I 08781f94c441e6933e92e36c0080d909 [0,1,0,0,0,1|2,0,0]=4 5041 B12R1.267 CCCCOc1ccccc1S 9afce9d077af63044cd79db09184fde8 [0,1,0,0,0,1|2,0,0]=4 5042 B12R1.267 CCCCOc1cccnc1Br e5d363c5971461c9fcf629544bab4835 [0,1,0,0,0,1|2,0,0]=4 5043 B12R1.267 CCCCOc1cccnc1C 84e9fdf2bba58872ffe7a46a67662b35 [0,1,0,0,0,1|2,0,0]=4 5044 B12R1.267 CCCCOc1cccnc1Cl 9c008ed381bbb5af2ccef6dd0c23af47 [0,1,0,0,0,1|2,0,0]=4 5045 B12R1.267 CCCCOc1cccnc1F 672bde3c259012fccfe4ad9ca0ceb365 [0,1,0,0,0,1|2,0,0]=4 5046 B12R1.267 CCCCOc1cccnc1I e5ef7f49bc226e5a4fad393c87867486 [0,1,0,0,0,1|2,0,0]=4 5047 B12R1.267 CCCCOc1cccoc1=O fbc49b8367347726350d6c0059a469cb [0,1,0,0,0,1|1,1,0]=4 5048 B12R1.267 CCCCOc1ccncc1Br aee52df2a25f5eb47bdb9a5385ff595e [0,1,0,0,0,1|2,0,0]=4 5049 B12R1.267 CCCCOc1ccncc1C a8a96a8ae5494e782a1db105dc9138fd [0,1,0,0,0,1|2,0,0]=4 5050 B12R1.267 CCCCOc1ccncc1Cl 556a29a7e2ccee3abfdcecfbab9cf385 [0,1,0,0,0,1|2,0,0]=4 5051 B12R1.267 CCCCOc1ccncc1F 91a66c1733d087c0353d655137a8cc68 [0,1,0,0,0,1|2,0,0]=4 5052 B12R1.267 CCCCOc1cnccc1Br 15aeb91f2b6964d7a4aa2b0cdf8bfd7b [0,1,0,0,0,1|2,0,0]=4 5053 B12R1.267 CCCCOc1cnccc1C 3b15574ad4f3c24340def9d6fb0c9767 [0,1,0,0,0,1|2,0,0]=4 5054 B12R1.267 CCCCOc1cnccc1Cl 90c5da1d6f50a5ee2172bbaea5ccf31b [0,1,0,0,0,1|2,0,0]=4 5055 B12R1.267 CCCCOc1cnccc1F c551281e572f34bcd577ada96b64037e [0,1,0,0,0,1|2,0,0]=4 5056 B12R1.267 CCCCOc1cnccc1I 211b8ac06e4b1aba8882b53002ac707f [0,1,0,0,0,1|2,0,0]=4 5057 B12R1.267 CCCCOc1coccc1=O 04c68206066ebe73f7acc5e776ca1f43 [0,1,0,0,0,1|1,1,0]=4 5058 B12R1.267 CCCCOc1ncccc1Br ab5e0f1b04532e99ed34495b6176c96c [0,1,0,0,0,1|2,0,0]=4 5059 B12R1.267 CCCCOc1ncccc1C 9acd3db19edc794136930ecc9d37d4c9 [0,1,0,0,0,1|2,0,0]=4 5060 B12R1.267 CCCCOc1ncccc1Cl 9da828dc387ebb2b2a0c22f9935c3aab [0,1,0,0,0,1|2,0,0]=4 5061 B12R1.267 CCCCOc1ncccc1F c7e9db1d1b3a07ca21a548585494e143 [0,1,0,0,0,1|2,0,0]=4 5062 B12R1.267 CCCCOc1nccnc1Br c8f7b3a05578c523e0f5795c6407313b [0,1,0,0,0,1|2,0,0]=4 5063 B12R1.267 CCCCOc1nccnc1C 402b39c5e5f48238166c9210830a4ffa [0,1,0,0,0,1|2,0,0]=4 5064 B12R1.267 CCCCOc1ncncc1C e62b7bc1f9187eb7b083965279655896 [0,1,0,0,0,1|2,0,0]=4 5065 B12R1.267 CCCCOc1ncncc1Cl e35d4ebb8614129e98dcc3e9e3fd63de [0,1,0,0,0,1|2,0,0]=4 5066 B12R1.267 CCCCOc1ncncc1F c055ce1a11c6c6a39cdaa22c6ffc32d5 [0,1,0,0,0,1|2,0,0]=4 5067 B12R1.267 CCCCOc1ncncc1I 7dca2edffb9ce050d00d58a4a47ad413 [0,1,0,0,0,1|2,0,0]=4 5068 B12R1.267 CCCCOc1nnccc1C 5749426939f1a8da8c0a8f9d977afa26 [0,1,0,0,0,1|2,0,0]=4 5069 B12R1.267 CCCCOc1nnccc1Cl 41b670bc92bef3fc8fbc5d6b3031bf75 [0,1,0,0,0,1|2,0,0]=4 5070 B12R1.267 CCCCOc1nnccc1I 1b7bb6b2c5bce517dfd3075a263c10ed [0,1,0,0,0,1|2,0,0]=4 5071 B12R1.267 CCCNCc1cccc[n+]1[O-] 3f8d2f3f831024e14ee84f8df0789f0c [0,1,0,0,0,1|2,0,0]=4 5072 B12R1.267 CCCNCc1ccccc1Br bd58bf891f73040a234956b6adaf58b7 [0,1,0,0,0,1|2,0,0]=4 5073 B12R1.267 CCCNCc1ccccc1C 050fe1959a544b7272683da7815962b7 [0,1,0,0,0,1|2,0,0]=4 5074 B12R1.267 CCCNCc1ccccc1Cl 9af8efc228c85cb32fd226498427ad88 [0,1,0,0,0,1|2,0,0]=4 5075 B12R1.267 CCCNCc1ccccc1F 10db1bdfdcada70cdd61f937a45d1f2e [0,1,0,0,0,1|2,0,0]=4 5076 B12R1.267 CCCNCc1ccccc1I a2ce2cbd3d3a9276a9c0f47a371bdac6 [0,1,0,0,0,1|2,0,0]=4 5077 B12R1.267 CCCNCc1cccnc1Br 402a94c70b6d2183e3d722edecb4a5f9 [0,1,0,0,0,1|2,0,0]=4 5078 B12R1.267 CCCNCc1cccnc1C e1b1b5a8410f06279070c8edcdf17240 [0,1,0,0,0,1|2,0,0]=4 5079 B12R1.267 CCCNCc1cccnc1Cl ab3826b70237d838a83d352eac3e41d3 [0,1,0,0,0,1|2,0,0]=4 5080 B12R1.267 CCCNCc1cccnc1F 199c5897eca11fa291c050d6993ed7e7 [0,1,0,0,0,1|2,0,0]=4 5081 B12R1.267 CCCNCc1ccncc1Br e9f9882823e68b48ae4a932d82f6ad11 [0,1,0,0,0,1|2,0,0]=4 5082 B12R1.267 CCCNCc1ccncc1C 2ed7bb25324af023967144bd7385c902 [0,1,0,0,0,1|2,0,0]=4 5083 B12R1.267 CCCNCc1ccncc1Cl ce9529e88997d3947366216f8c47ea6d [0,1,0,0,0,1|2,0,0]=4 5084 B12R1.267 CCCNCc1ccncc1F 527f173d2b758d4a87007c0ecef48b68 [0,1,0,0,0,1|2,0,0]=4 5085 B12R1.267 CCCNCc1cnccc1C 9bead837e92e04248f1f4a17f6bc75bc [0,1,0,0,0,1|2,0,0]=4 5086 B12R1.267 CCCNCc1ncccc1Br 0ca0f3c5a94b1d72a0af3e923ae6aade [0,1,0,0,0,1|2,0,0]=4 5087 B12R1.267 CCCNCc1ncccc1C d2df36c8f920a1d0503e8cfb0b483277 [0,1,0,0,0,1|2,0,0]=4 5088 B12R1.267 CCCNCc1ncccc1Cl 47e4a918c94fbfb20ad65d8ee4ca972e [0,1,0,0,0,1|2,0,0]=4 5089 B12R1.267 CCCNCc1ncccc1F 4525c38f95b8d93501c447beaff3a3d5 [0,1,0,0,0,1|2,0,0]=4 5090 B12R1.267 CCCNCc1nccnc1C 2329748998eb0628f0fe982f13629fb6 [0,1,0,0,0,1|2,0,0]=4 5091 B12R1.267 CCCNCc1nccnc1Cl 06c10d86a742bfca8f9da32908ce475d [0,1,0,0,0,1|2,0,0]=4 5092 B12R1.267 CCCNCc1nnccc1C a865ac2d7e93f19991b80fa96de1196e [0,1,0,0,0,1|2,0,0]=4 5093 B12R1.267 CCCOCc1ccc[nH]c1=O e6acbb43398249bcbb739562d726fb3f [0,1,0,0,0,1|2,0,0]=4 5094 B12R1.267 CCCOCc1cccc[n+]1[O-] 61cbe915a919e734a4bcd748d3747d59 [0,1,0,0,0,1|2,0,0]=4 5095 B12R1.267 CCCOCc1ccccc1C 69819a6d99087ea23f1233c6ad1452d2 [0,1,0,0,0,1|2,0,0]=4 5096 B12R1.267 CCCOCc1ccccc1Cl be8fb5e4d0358fc76e083c2c1033dd16 [0,1,0,0,0,1|2,0,0]=4 5097 B12R1.267 CCCOCc1ccccc1F 817daa4caad3d25d218a0e50ef2066fb [0,1,0,0,0,1|2,0,0]=4 5098 B12R1.267 CCCOCc1ccccc1I ce9ddc1d6dd0a2595b0faa5a82ad4942 [0,1,0,0,0,1|2,0,0]=4 5099 B12R1.267 CCCOCc1cccnc1Br 77809bbe385de5a43b12b367d88c71a2 [0,1,0,0,0,1|2,0,0]=4 5100 B12R1.267 CCCOCc1cccnc1C 80f08444768dce951386843ce88fb151 [0,1,0,0,0,1|2,0,0]=4 5101 B12R1.267 CCCOCc1cccnc1Cl 4c16458fea46acd0246b70a5f4d58119 [0,1,0,0,0,1|2,0,0]=4 5102 B12R1.267 CCCOCc1cccnc1F 82e1bbfcda2532af7c2d1073e1466af8 [0,1,0,0,0,1|2,0,0]=4 5103 B12R1.267 CCCOCc1ccncc1Br 64b6d1df5b4d11360abcef9177275c27 [0,1,0,0,0,1|2,0,0]=4 5104 B12R1.267 CCCOCc1ccncc1C 7735e31f03b9348d7e7ebc447c03a04d [0,1,0,0,0,1|2,0,0]=4 5105 B12R1.267 CCCOCc1ccncc1Cl 7f115ca68f6129d35dde1f6128d24c23 [0,1,0,0,0,1|2,0,0]=4 5106 B12R1.267 CCCOCc1ccncc1F 54874f40bf1842d019ae5aa557cd3f64 [0,1,0,0,0,1|2,0,0]=4 5107 B12R1.267 CCCOCc1ccncc1I f9ecfd2dc90caa129d74ba3aa4f216e8 [0,1,0,0,0,1|2,0,0]=4 5108 B12R1.267 CCCOCc1cnccc1Br 1cf6735153beedc757fd6466847c1e0e [0,1,0,0,0,1|2,0,0]=4 5109 B12R1.267 CCCOCc1cnccc1C c5527632473ce43017a4a07048be0b6b [0,1,0,0,0,1|2,0,0]=4 5110 B12R1.267 CCCOCc1cnccc1Cl f11ef4b144489d3c93bb53cdc9f987d4 [0,1,0,0,0,1|2,0,0]=4 5111 B12R1.267 CCCOCc1cnccc1F f2cab6e6a0e3930495040aa86cc52368 [0,1,0,0,0,1|2,0,0]=4 5112 B12R1.267 CCCOCc1ncccc1Br 295e33b84a30fea5fd13900f16d144d8 [0,1,0,0,0,1|2,0,0]=4 5113 B12R1.267 CCCOCc1ncccc1C 7c546d71a2c0070eaea514043b7c3a08 [0,1,0,0,0,1|2,0,0]=4 5114 B12R1.267 CCCOCc1ncccc1Cl 1fac8383dbf1b1b1da43cedc31f90683 [0,1,0,0,0,1|2,0,0]=4 5115 B12R1.267 CCCOCc1ncccc1F 6d94624a107964647d0429a2132b9543 [0,1,0,0,0,1|2,0,0]=4 5116 B12R1.267 CCCOCc1nccnc1C 4f5af91c665324e63db9a5c85cb38147 [0,1,0,0,0,1|2,0,0]=4 5117 B12R1.267 CCCOCc1nccnc1Cl 7ca0fb579f5dc0f906f6579cbde18691 [0,1,0,0,0,1|2,0,0]=4 5118 B12R1.267 CCCOCc1ncncc1Br 412b4dfe443cbc17b5c60097e2eea8a9 [0,1,0,0,0,1|2,0,0]=4 5119 B12R1.267 CCCOCc1nnccc1C b87016607bfae91d7aa5290bcbb41194 [0,1,0,0,0,1|2,0,0]=4 5120 B12R1.267 CCNCCc1ccccc1Cl b462d134ed26b2145f2b3576e4d12230 [0,1,0,0,0,1|2,0,0]=4 5121 B12R1.267 CCNCCc1ccccc1F dee7dcb89926d867dd249445cc929612 [0,1,0,0,0,1|2,0,0]=4 5122 B12R1.267 CCNCCc1ncccc1Br bb73543459a8b8f22656304c282b7a20 [0,1,0,0,0,1|2,0,0]=4 5123 B12R1.267 CCNCCc1ncccc1C 07ded1235abe1d390563f675a302acd3 [0,1,0,0,0,1|2,0,0]=4 5124 B12R1.267 CCOCCc1ccccc1Br ff423992d371a6fc4a4fd1c88d225519 [0,1,0,0,0,1|2,0,0]=4 5125 B12R1.267 CCOCCc1ccccc1C 60652323b8b6e9b1615ced7c97b2a1b4 [0,1,0,0,0,1|2,0,0]=4 5126 B12R1.267 CCOCCc1ccccc1Cl 69a4003c1b2444e1ffe9dabcded8220b [0,1,0,0,0,1|2,0,0]=4 5127 B12R1.267 CCOCCc1ccccc1F afa3523c66ce915b25923508bd683d81 [0,1,0,0,0,1|2,0,0]=4 5128 B12R1.267 CCOCCc1ccccc1I e3f39fece90b0172c387ddafe972d300 [0,1,0,0,0,1|2,0,0]=4 5129 B12R1.267 CCOCCc1ccncc1C 12f02602e6c331f70a15f40f769e4ea0 [0,1,0,0,0,1|2,0,0]=4 5130 B12R1.267 CCOCCc1ccncc1Cl 153b4f71944f4bedd9c0b4b80c41a4ab [0,1,0,0,0,1|2,0,0]=4 5131 B12R1.267 CCOCCc1ccncc1F 79366eef9c9a11f0763ef0b6ad1ce70e [0,1,0,0,0,1|2,0,0]=4 5132 B12R1.267 CCOCCc1ncccc1C 60823763fced731daa123238a689e3bd [0,1,0,0,0,1|2,0,0]=4 5133 B12R1.267 CCOCCc1ncccc1F 245e4153f4e3b194e41a9f7498437fde [0,1,0,0,0,1|2,0,0]=4 5134 B12R1.267 CCOCCc1nccnc1C 9f8e6c6fd44ab07f126f6b6c2480ac15 [0,1,0,0,0,1|2,0,0]=4 5135 B12R1.7 C#CCCCNc1ccc(s1)Br 0c02d6d79e4db0690ceba8e7392e4020 [0,2,0,0,0,0|0,0,2]=4 5136 B12R1.7 C#CCCCNc1ccc(s1)C 798cd0bf95079a1f80a04e533ead41ab [0,2,0,0,0,0|0,0,2]=4 5137 B12R1.7 C#CCCCOc1cc(cs1)C 2a29419c2a107060da7f7bfe7d89cd4d [0,2,0,0,0,0|0,0,2]=4 5138 B12R1.7 C#CCCCOc1ccc(s1)Br cacf11055d421c70a28129a1f268ae5c [0,2,0,0,0,0|0,0,2]=4 5139 B12R1.7 C#CCCNCc1cc(cs1)Br bc3aa080398d5f2863f86ee3fc8eb3a3 [0,2,0,0,0,0|0,0,2]=4 5140 B12R1.7 C#CCCNCc1cc(cs1)C df3813d978caf954e23fb2b080f0341f [0,2,0,0,0,0|0,0,2]=4 5141 B12R1.7 C#CCCNCc1cc(cs1)Cl d7014bc5f9a3d6b147a1367a93e7ac7d [0,2,0,0,0,0|0,0,2]=4 5142 B12R1.7 C#CCCNCc1ccc(s1)Br 1180dc5c23e8f7ecac0d9519e1ed8ba9 [0,2,0,0,0,0|0,0,2]=4 5143 B12R1.7 C#CCCNCc1ccc(s1)C 37d7fca32f8a943aa6a0cb02e715b5e0 [0,2,0,0,0,0|0,0,2]=4 5144 B12R1.7 C#CCCNCc1ccc(s1)Cl d7008b03b3f1f4021d13e231f14c59d4 [0,2,0,0,0,0|0,0,2]=4 5145 B12R1.7 C#CCCNCc1ccc(s1)F 76d6b29b6f6d8b94e9c7cc566846decd [0,2,0,0,0,0|0,0,2]=4 5146 B12R1.7 C#CCCOCc1cc(cs1)Br d5ee69cf2e090a2c038eceb6a909af88 [0,2,0,0,0,0|0,0,2]=4 5147 B12R1.7 C#CCCOCc1cc(cs1)C e26f5d35a0c1b20c669f5f6df3c91bfe [0,2,0,0,0,0|0,0,2]=4 5148 B12R1.7 C#CCCOCc1cc(cs1)Cl 4a2632b35c2b89ab546adf2b0a2a36ac [0,2,0,0,0,0|0,0,2]=4 5149 B12R1.7 C#CCCOCc1ccc(s1)Br ba05afc3b318fe4bdb76787e4fa2b8e0 [0,2,0,0,0,0|0,0,2]=4 5150 B12R1.7 C#CCCOCc1ccc(s1)C 398bdc0ea8f82771952534b085e06c06 [0,2,0,0,0,0|0,0,2]=4 5151 B12R1.7 C#CCCOCc1ccc(s1)Cl 91a12cb555b38b406e54b73d00da705e [0,2,0,0,0,0|0,0,2]=4 5152 B12R1.7 C#CCCOCc1ccc(s1)F dd0c9e53839a756d2d28977ffbf83499 [0,2,0,0,0,0|0,0,2]=4 5153 B12R1.7 C#CCNCCc1ccc(s1)Br 47ea5b810affeaf1c2e7703671dc0a2d [0,2,0,0,0,0|0,0,2]=4 5154 B12R1.7 C#CCNCCc1ccc(s1)C 1c13eb2829e659109286d436c3e26167 [0,2,0,0,0,0|0,0,2]=4 5155 B12R1.7 C/C=C/CNCc1cc(cs1)Br c848dbef80dba7d15f5ce52ba0b83050 [0,2,0,0,0,0|0,0,2]=4 5156 B12R1.7 C/C=C/CNCc1cc(cs1)C 1b41491013c97f9dd07c7d696063064b [0,2,0,0,0,0|0,0,2]=4 5157 B12R1.7 C/C=C/CNCc1cc(cs1)Cl f0ff7f7743ef1895fe7f9dd21914ba30 [0,2,0,0,0,0|0,0,2]=4 5158 B12R1.7 C/C=C/CNCc1ccc(s1)Br 6052e35c90be0d838348b19377fe48d3 [0,2,0,0,0,0|0,0,2]=4 5159 B12R1.7 C/C=C/CNCc1ccc(s1)C 8656da3bab691732dfc2c9897635bec8 [0,2,0,0,0,0|0,0,2]=4 5160 B12R1.7 C/C=C/CNCc1ccc(s1)Cl cd3c40c4530c6b16496dfb5f182892d1 [0,2,0,0,0,0|0,0,2]=4 5161 B12R1.7 C/C=C/CNCc1ccc(s1)F f0758c7b58d96e81f235fd10804d4798 [0,2,0,0,0,0|0,0,2]=4 5162 B12R1.7 C/C=C/COCc1cc(cs1)Br 9b78660da9cd2556813dcdbe8d2ea5df [0,2,0,0,0,0|0,0,2]=4 5163 B12R1.7 C/C=C/COCc1cc(cs1)C 5d16d03a139ad2700b6737256d907e63 [0,2,0,0,0,0|0,0,2]=4 5164 B12R1.7 C/C=C/COCc1cc(cs1)Cl 07c2b38fdf3b1b731062ac0d20d7cd63 [0,2,0,0,0,0|0,0,2]=4 5165 B12R1.7 C/C=C/COCc1ccc(s1)Br 1876df58efdf5ea8eedbe1fcaf2c4ae7 [0,2,0,0,0,0|0,0,2]=4 5166 B12R1.7 C/C=C/COCc1ccc(s1)C 98901aac32a1a0e7c700af40311ecd9d [0,2,0,0,0,0|0,0,2]=4 5167 B12R1.7 C/C=C/COCc1ccc(s1)Cl 3bf2ed035b52c54c2e5ee4f1454b9668 [0,2,0,0,0,0|0,0,2]=4 5168 B12R1.7 C/C=C/COCc1ccc(s1)F 48f67bfd3fafb567fa9c816e1fedb80d [0,2,0,0,0,0|0,0,2]=4 5169 B12R1.7 C/C=C\CNCc1cc(cs1)Br 4d9426ebb91d1ccc3661b622a05483b7 [0,2,0,0,0,0|0,0,2]=4 5170 B12R1.7 C/C=C\CNCc1cc(cs1)C e82de5dc6fe1dbc184bf2d66dfc97764 [0,2,0,0,0,0|0,0,2]=4 5171 B12R1.7 C/C=C\CNCc1cc(cs1)Cl 274b52da875c99ae90576d7d3e837c26 [0,2,0,0,0,0|0,0,2]=4 5172 B12R1.7 C/C=C\CNCc1ccc(s1)Br ec80ae78011508464bc58abaafeb64a4 [0,2,0,0,0,0|0,0,2]=4 5173 B12R1.7 C/C=C\CNCc1ccc(s1)C 58f12aa8a2f6755372d8c0a3cec92c8a [0,2,0,0,0,0|0,0,2]=4 5174 B12R1.7 C/C=C\CNCc1ccc(s1)Cl 0c87d6172f5b1c41b66663dc5c64b5e3 [0,2,0,0,0,0|0,0,2]=4 5175 B12R1.7 C/C=C\CNCc1ccc(s1)F 15e47428151280cf087977039252be61 [0,2,0,0,0,0|0,0,2]=4 5176 B12R1.7 C/C=C\COCc1cc(cs1)Br b3c1ecc9e3e38300d1f8e9ed3eec0c8f [0,2,0,0,0,0|0,0,2]=4 5177 B12R1.7 C/C=C\COCc1cc(cs1)C b077cc3946747d04ac847f3ab4194289 [0,2,0,0,0,0|0,0,2]=4 5178 B12R1.7 C/C=C\COCc1cc(cs1)Cl 6a5836d8f1338c37c82dbed3fe8a0b52 [0,2,0,0,0,0|0,0,2]=4 5179 B12R1.7 C/C=C\COCc1ccc(s1)Br 4676e16c8f5c96bb26c627f9470b70d7 [0,2,0,0,0,0|0,0,2]=4 5180 B12R1.7 C/C=C\COCc1ccc(s1)C a272e1aa7eeb414d3d155221cd44779a [0,2,0,0,0,0|0,0,2]=4 5181 B12R1.7 C/C=C\COCc1ccc(s1)Cl a7541839b69028f79765bfcf966106eb [0,2,0,0,0,0|0,0,2]=4 5182 B12R1.7 C/C=C\COCc1ccc(s1)F 139745df95accd1485503d37736200d3 [0,2,0,0,0,0|0,0,2]=4 5183 B12R1.7 C=CCCCNc1cc(cs1)C 5f9be9acb8fe6135865b1addf55ee22e [0,2,0,0,0,0|0,0,2]=4 5184 B12R1.7 C=CCCCNc1cc(cs1)F 7902818e7c580f36abb578ee232b3067 [0,2,0,0,0,0|0,0,2]=4 5185 B12R1.7 C=CCCCNc1ccc(s1)Br b69b6a5c9b340b8d8ac6ac0095976bd2 [0,2,0,0,0,0|0,0,2]=4 5186 B12R1.7 C=CCCCNc1ccc(s1)C 021c7b89e639f4cf7dcd89a8db7d942c [0,2,0,0,0,0|0,0,2]=4 5187 B12R1.7 C=CCCCNc1ccc(s1)F 2f0883cd09d6a1c252238974f452d086 [0,2,0,0,0,0|0,0,2]=4 5188 B12R1.7 C=CCCCNc1ccc(s1)O 0362dd16275703e35fa10e48501d996c [0,2,0,0,0,0|0,0,2]=4 5189 B12R1.7 C=CCCCOc1cc(cs1)C 2ac6af4ec225f1eceb49e8ef8c25cf3e [0,2,0,0,0,0|0,0,2]=4 5190 B12R1.7 C=CCCCOc1ccc(s1)Br 5a6a94255f3f36a756f36a62a1816652 [0,2,0,0,0,0|0,0,2]=4 5191 B12R1.7 C=CCCNCc1cc(cs1)Br 626a7286405d68765ae0c4fe25705e18 [0,2,0,0,0,0|0,0,2]=4 5192 B12R1.7 C=CCCNCc1cc(cs1)C ee060ee04627602e39733d7a6efc6c40 [0,2,0,0,0,0|0,0,2]=4 5193 B12R1.7 C=CCCNCc1cc(cs1)Cl ccc9e2a344f23efe82e74413af10834b [0,2,0,0,0,0|0,0,2]=4 5194 B12R1.7 C=CCCNCc1ccc(s1)Br 174aa213698f9664e395895188d5bc74 [0,2,0,0,0,0|0,0,2]=4 5195 B12R1.7 C=CCCNCc1ccc(s1)C 8d329f4ccbb52fda239bff1db352a189 [0,2,0,0,0,0|0,0,2]=4 5196 B12R1.7 C=CCCNCc1ccc(s1)Cl 1aafa2a44a5eb287221322897fd565f5 [0,2,0,0,0,0|0,0,2]=4 5197 B12R1.7 C=CCCNCc1ccc(s1)F 3310452fb6e03015456317d7642088d0 [0,2,0,0,0,0|0,0,2]=4 5198 B12R1.7 C=CCCOCc1cc(cs1)Br cdb4f5acdd437c87389bf6f8a5df342a [0,2,0,0,0,0|0,0,2]=4 5199 B12R1.7 C=CCCOCc1cc(cs1)C 08e8111828a9acc79cad06b1b2f04f68 [0,2,0,0,0,0|0,0,2]=4 5200 B12R1.7 C=CCCOCc1cc(cs1)Cl 4e8a83380617a84ac6a29a50c36d1c51 [0,2,0,0,0,0|0,0,2]=4 5201 B12R1.7 C=CCCOCc1ccc(s1)Br 734fbf3b1e0d3d248d7d502d75f9bb71 [0,2,0,0,0,0|0,0,2]=4 5202 B12R1.7 C=CCCOCc1ccc(s1)C b29664b6cb5660144db4e0fdacb19884 [0,2,0,0,0,0|0,0,2]=4 5203 B12R1.7 C=CCCOCc1ccc(s1)Cl 9f39154c4853a2eba1ff56c5df5afd14 [0,2,0,0,0,0|0,0,2]=4 5204 B12R1.7 C=CCCOCc1ccc(s1)F 5b08d197910ac4159d9c21243b803cf3 [0,2,0,0,0,0|0,0,2]=4 5205 B12R1.7 C=CCNCCc1ccc(s1)Br 3b2e8ec23fe7af946fd07611b9d5339b [0,2,0,0,0,0|0,0,2]=4 5206 B12R1.7 C=CCNCCc1ccc(s1)C 710e1d96181565a0901aa54b6567140e [0,2,0,0,0,0|0,0,2]=4 5207 B12R1.7 CC#CCNCc1cc(cs1)Br 7212cdc6611f1824601723f15124c0dc [0,2,0,0,0,0|0,0,2]=4 5208 B12R1.7 CC#CCNCc1ccc(s1)Br 0da9064e10171a050af5d72f34ead9fc [0,2,0,0,0,0|0,0,2]=4 5209 B12R1.7 CC#CCNCc1ccc(s1)Cl 75dd57477b63527885a2fe38d55471f3 [0,2,0,0,0,0|0,0,2]=4 5210 B12R1.7 CC#CCOCc1cc(cs1)Br a4ab5bd92c53b43b738008a4ef0fd199 [0,2,0,0,0,0|0,0,2]=4 5211 B12R1.7 CC#CCOCc1ccc(s1)Br ba8a977bc0013be08665fc9cc05a4115 [0,2,0,0,0,0|0,0,2]=4 5212 B12R1.7 CC#CCOCc1ccc(s1)Cl 2ce6d3b5990e92452e9230d9095a9c7e [0,2,0,0,0,0|0,0,2]=4 5213 B12R1.7 CC/C=C/CNc1ccc(s1)Br f2d52b1b500c037dc3ad29c51c6276f1 [0,2,0,0,0,0|0,0,2]=4 5214 B12R1.7 CC/C=C/CNc1ccc(s1)C 926597f454260805159ac2c43992ec4b [0,2,0,0,0,0|0,0,2]=4 5215 B12R1.7 CC/C=C/COc1cc(cs1)C f94c90636311e8506e0b694aaae28639 [0,2,0,0,0,0|0,0,2]=4 5216 B12R1.7 CC/C=C/COc1ccc(s1)Br faf267d8725da4d9763c1cdb94a87166 [0,2,0,0,0,0|0,0,2]=4 5217 B12R1.7 CC=CCNCc1cc(cs1)Br b7e0748e5dc18afc9b6740f7626daa22 [0,2,0,0,0,0|0,0,2]=4 5218 B12R1.7 CC=CCNCc1ccc(s1)Br 17cca711fdb45712eaab7e379ee410ba [0,2,0,0,0,0|0,0,2]=4 5219 B12R1.7 CC=CCNCc1ccc(s1)Cl e7e5bdd705a3d423804f8fb9b231fd6c [0,2,0,0,0,0|0,0,2]=4 5220 B12R1.7 CC=CCOCc1cc(cs1)Br 6653311a4f283b27cfef5378d23b334b [0,2,0,0,0,0|0,0,2]=4 5221 B12R1.7 CC=CCOCc1ccc(s1)Br da2e96bb5e3c1cba84f0e52fc51c41e1 [0,2,0,0,0,0|0,0,2]=4 5222 B12R1.7 CC=CCOCc1ccc(s1)Cl d62ba411844dee1261169ca7c669ad18 [0,2,0,0,0,0|0,0,2]=4 5223 B12R1.7 CCCCCNc1c[nH]c(n1)N f0a5a3b4247f313182c4a4e9d850d2f8 [0,2,0,0,0,0|2,0,0]=4 5224 B12R1.7 CCCCCNc1cc(=O)[nH]o1 1713f8034c945e27296a1903020c06cb [0,2,0,0,0,0|1,1,0]=4 5225 B12R1.7 CCCCCNc1cc([nH]n1)Br 55c381ebe9581365303a6ef7e05d2974 [0,2,0,0,0,0|2,0,0]=4 5226 B12R1.7 CCCCCNc1cc([nH]n1)C 1bd04f547fcc03d4b4d1dd609267a0bf [0,2,0,0,0,0|2,0,0]=4 5227 B12R1.7 CCCCCNc1cc([nH]n1)F a01f9948d3d49b9cb0b4062d816159a7 [0,2,0,0,0,0|2,0,0]=4 5228 B12R1.7 CCCCCNc1cc(n[nH]1)Cl 5e15c26f6c3ef57ba66319187e760cee [0,2,0,0,0,0|2,0,0]=4 5229 B12R1.7 CCCCCNc1cc(no1)C ee9d673bbef2526825007252e053ff70 [0,2,0,0,0,0|1,1,0]=4 5230 B12R1.7 CCCCCNc1cc(ns1)C 1fc762c1c3d608ebdd6b9f2fcd5c904e [0,2,0,0,0,0|1,0,0]=3 5231 B12R1.7 CCCCCNc1cc(on1)C 12ab17964ea0f67ed618ae389c8d5d78 [0,2,0,0,0,0|2,0,0]=4 5232 B12R1.7 CCCCCNc1cc(sn1)Br 418582e92750465a4fcecd2d0ebae141 [0,2,0,0,0,0|2,0,0]=4 5233 B12R1.7 CCCCCNc1ccc(o1)C a7aeddbdd227bf7fafaba51e488e2748 [0,2,0,0,0,0|0,1,0]=3 5234 B12R1.7 CCCCCNc1ccc(s1)C 49de1bbf58aa9586ca817f0cb5c802ac [0,2,0,0,0,0|0,0,0]=2 5235 B12R1.7 CCCCCNc1ccc(s1)F 3fb83dbf3be8e4bd45c60c5996b8bd24 [0,2,0,0,0,0|0,0,0]=2 5236 B12R1.7 CCCCCNc1ccn(c1)C c15987f55acd4ad36cb6a2625a8a0159 [0,2,0,0,0,0|2,0,0]=4 5237 B12R1.7 CCCCCNc1ccn(n1)C b3d37499c199edf8a4b296419bda75b9 [0,2,0,0,0,0|2,0,0]=4 5238 B12R1.7 CCCCCNc1cn(cn1)C 0c225be28a58fcc3ca2300a5d922c81f [0,2,0,0,0,0|2,0,0]=4 5239 B12R1.7 CCCCCNc1cnc(o1)C b6fef372bf9e0030a04b05d106771fa3 [0,2,0,0,0,0|1,1,0]=4 5240 B12R1.7 CCCCCNc1cnc(s1)Br ee60e56e54a0fe122021a78615191e61 [0,2,0,0,0,0|1,0,0]=3 5241 B12R1.7 CCCCCNc1cnc(s1)C d114eaf0f53e543ffa83a070d2f459c0 [0,2,0,0,0,0|1,0,0]=3 5242 B12R1.7 CCCCCNc1cnc(s1)N 384007fd27967056c8b7cd50414ffa85 [0,2,0,0,0,0|1,0,0]=3 5243 B12R1.7 CCCCCNc1cnc(s1)S be50c1ccea4f2fc0dec93bb1c2ebc343 [0,2,0,0,0,0|1,0,0]=3 5244 B12R1.7 CCCCCNc1coc(n1)N da8a2c64f7a2aff30b407c2fbf67d1e4 [0,2,0,0,0,0|2,0,0]=4 5245 B12R1.7 CCCCCNc1csc(n1)Br 0689aa9b45f90919ec71b1f940821acc [0,2,0,0,0,0|2,0,0]=4 5246 B12R1.7 CCCCCNc1csc(n1)N 3145d15faa9e6f6275c20ebbdfd00207 [0,2,0,0,0,0|2,0,0]=4 5247 B12R1.7 CCCCCNc1nc(=S)ss1 4c87a7440bea81951604a75eefef1719 [0,2,0,0,0,0|2,0,0]=4 5248 B12R1.7 CCCCCNc1nc(c[nH]1)Br 4b1f3a73e102aaf7a625852c74594266 [0,2,0,0,0,0|2,0,0]=4 5249 B12R1.7 CCCCCNc1nc(co1)Br 2cde9887da31c8ef59ca53a0cb4643d2 [0,2,0,0,0,0|1,1,0]=4 5250 B12R1.7 CCCCCNc1nc(co1)C 8642aee05ba6bec73345c6d4b39910cb [0,2,0,0,0,0|1,1,0]=4 5251 B12R1.7 CCCCCNc1nc(cs1)Br 9384acb5664f74d075a98b1f4d7b5d6e [0,2,0,0,0,0|1,0,0]=3 5252 B12R1.7 CCCCCNc1nc(cs1)C 233925dd90ad394430d878e9c56f8754 [0,2,0,0,0,0|1,0,0]=3 5253 B12R1.7 CCCCCNc1nc(cs1)Cl d319d6f7e7da71db1ce80305b8f723cb [0,2,0,0,0,0|1,0,0]=3 5254 B12R1.7 CCCCCNc1nc(ns1)Br 46c7d7d3ce54a82ef7aeaf9ded892997 [0,2,0,0,0,0|2,0,0]=4 5255 B12R1.7 CCCCCNc1nc(ns1)C ebe0dc71f0e78ecbcfa593781f6b60f4 [0,2,0,0,0,0|2,0,0]=4 5256 B12R1.7 CCCCCNc1nc(ns1)Cl 09d2c603c2b094da338443321218eb3f [0,2,0,0,0,0|2,0,0]=4 5257 B12R1.7 CCCCCNc1ncc([nH]1)C d121a689598256d24538cf0e67311364 [0,2,0,0,0,0|2,0,0]=4 5258 B12R1.7 CCCCCNc1ncc(o1)C 9df2985675ca6911ec41c1367b8adc9b [0,2,0,0,0,0|1,1,0]=4 5259 B12R1.7 CCCCCNc1ncc(s1)Cl 92bad77bdb7d4d1aa327dc15340e0e5a [0,2,0,0,0,0|1,0,0]=3 5260 B12R1.7 CCCCCNc1nnc(s1)Br 38bb93f64d3873d1bca11bf01875072d [0,2,0,0,0,0|2,0,0]=4 5261 B12R1.7 CCCCCNc1nnc(s1)C 180f3d8f41a177c4834888b409c16a22 [0,2,0,0,0,0|2,0,0]=4 5262 B12R1.7 CCCCCNc1nnc(s1)Cl d60a1e4843baa7c2c5d012517a9357a1 [0,2,0,0,0,0|2,0,0]=4 5263 B12R1.7 CCCCCOC1=CC(=O)CC1 2984e20894b01b349c191501961a2c92 [0,2,0,0,0,0|1,0,1]=4 5264 B12R1.7 CCCCCOC1=CC(=O)NC1 815c904dca3e0f0f71fa25e90d145300 [0,2,0,0,0,0|2,0,0]=4 5265 B12R1.7 CCCCCOC1=CC(=O)OC1 5e81427e32a646867418a4763d348784 [0,2,0,0,0,0|2,0,0]=4 5266 B12R1.7 CCCCCOC1=COC(=O)C1 1d6401510ccb97ca44c43b910e2e9b98 [0,2,0,0,0,0|2,0,0]=4 5267 B12R1.7 CCCCCOC1C=CC(=O)C1 b52a7e6ec19848af38fa1befb7df5fa8 [0,2,0,0,0,0|1,0,1]=4 5268 B12R1.7 CCCCCOC1C=CC(=O)O1 a43f7e2a55d713fcf70b0196b9f1f379 [0,2,0,0,0,0|0,1,1]=4 5269 B12R1.7 CCCCCO[C@H]1C=CC(=O)C1 fc7a9681f148d21dee55827a051d9503 [0,2,0,0,0,0|1,0,1]=4 5270 B12R1.7 CCCCCOc1cc(cs1)C eb603f5ccf4e29fe7296c92e855fc7c7 [0,2,0,0,0,0|0,0,0]=2 5271 B12R1.7 CCCCCOc1cc(sn1)Cl 226f0b735b0fb398889ec9e1a940fea1 [0,2,0,0,0,0|2,0,0]=4 5272 B12R1.7 CCCCCOc1ccc(s1)Br fc87e8012fb5b5cd20f966f52ac31813 [0,2,0,0,0,0|0,0,0]=2 5273 B12R1.7 CCCCCOc1ccn(n1)C a963835399e5fec193bd1c1f6b5c50e3 [0,2,0,0,0,0|2,0,0]=4 5274 B12R1.7 CCCCCOc1nc(cs1)Br 661baaa0f23cdbeadf8ae4070cae4726 [0,2,0,0,0,0|1,0,0]=3 5275 B12R1.7 CCCCCOc1nnc(s1)C e9743c9281a13a8553185d3c9b82ceeb [0,2,0,0,0,0|2,0,0]=4 5276 B12R1.7 CCCCCOn1cc(cn1)I 2bff0a14772c311c7b5e5e9f7d5a0d5c [0,2,0,0,0,0|2,0,0]=4 5277 B12R1.7 CCCCNCC1=CC(=O)OC1 b583e4c3c72b28981149e8999d337d85 [0,2,0,0,0,0|2,0,0]=4 5278 B12R1.7 CCCCNCc1c[nH]c(n1)C a223102abf52f3b57395c712920eb404 [0,2,0,0,0,0|2,0,0]=4 5279 B12R1.7 CCCCNCc1cc(=O)[nH]o1 f0764dd705082a5cb3797057a7fbb4b0 [0,2,0,0,0,0|1,1,0]=4 5280 B12R1.7 CCCCNCc1cc(c[nH]1)Br f253ff8dcac26ddf1594fb177c38b4fd [0,2,0,0,0,0|1,0,0]=3 5281 B12R1.7 CCCCNCc1cc(co1)C 11b98401ab8adf6121d9ee8b88760de3 [0,2,0,0,0,0|0,1,0]=3 5282 B12R1.7 CCCCNCc1cc(cs1)Br 30eeee6509f7205e40c145c5a75e4841 [0,2,0,0,0,0|0,0,0]=2 5283 B12R1.7 CCCCNCc1cc(cs1)C f95e050c16826ff4abbfb6411aff7ac9 [0,2,0,0,0,0|0,0,0]=2 5284 B12R1.7 CCCCNCc1cc(cs1)Cl d69ebcda96d4ac90a6f6e528dc7a6a92 [0,2,0,0,0,0|0,0,0]=2 5285 B12R1.7 CCCCNCc1cc(n[nH]1)C a26379a4f4fc64ef45e670751d224909 [0,2,0,0,0,0|2,0,0]=4 5286 B12R1.7 CCCCNCc1cc(no1)Br 84a55a1c598a9c5809e6c82dc02829e2 [0,2,0,0,0,0|1,1,0]=4 5287 B12R1.7 CCCCNCc1cc(no1)C 93cf2eeb7bd5be674ed29029afe890cd [0,2,0,0,0,0|1,1,0]=4 5288 B12R1.7 CCCCNCc1cc(ns1)Br ea359d7d8711ac5c8c05ca4713c2fd2d [0,2,0,0,0,0|1,0,0]=3 5289 B12R1.7 CCCCNCc1cc(ns1)C 93c8e620cae95bb2703cd3196b378500 [0,2,0,0,0,0|1,0,0]=3 5290 B12R1.7 CCCCNCc1cc(on1)C bba511c40ab5fd0e40b853f5974e0736 [0,2,0,0,0,0|2,0,0]=4 5291 B12R1.7 CCCCNCc1cc(sn1)Br a576acb520a134dc1ce0500cd4a59c68 [0,2,0,0,0,0|2,0,0]=4 5292 B12R1.7 CCCCNCc1ccc(o1)Br 0f4284b31975a2d96689cee1a6ae36d5 [0,2,0,0,0,0|0,1,0]=3 5293 B12R1.7 CCCCNCc1ccc(o1)C eba22ce379140332e0dbd79ac0f2cae5 [0,2,0,0,0,0|0,1,0]=3 5294 B12R1.7 CCCCNCc1ccc(s1)Br 3075cd67d8f358864c65cdf3519aa24d [0,2,0,0,0,0|0,0,0]=2 5295 B12R1.7 CCCCNCc1ccc(s1)C 3559045fc5dbd882ea5bde0f7fdd9c44 [0,2,0,0,0,0|0,0,0]=2 5296 B12R1.7 CCCCNCc1ccc(s1)Cl 8891f5ec7b6efb91d6a0de371cfa50df [0,2,0,0,0,0|0,0,0]=2 5297 B12R1.7 CCCCNCc1ccc(s1)F 3623f004cd82f6a276657b7c2eeeaa19 [0,2,0,0,0,0|0,0,0]=2 5298 B12R1.7 CCCCNCc1ccn(n1)C ca13506f999f87a24196f5314e7b8b7d [0,2,0,0,0,0|2,0,0]=4 5299 B12R1.7 CCCCNCc1cn(cn1)C 0f66f17891686071d52d46938b5215db [0,2,0,0,0,0|2,0,0]=4 5300 B12R1.7 CCCCNCc1cnc(o1)C 12fcc97390cc61184fcd1c08f80a7793 [0,2,0,0,0,0|1,1,0]=4 5301 B12R1.7 CCCCNCc1cnc(s1)Br afbddc80b5e4a3ac9f41e6a36eb0f7b0 [0,2,0,0,0,0|1,0,0]=3 5302 B12R1.7 CCCCNCc1cnc(s1)C 3372e1ff081edf789c1c03617cc14e3b [0,2,0,0,0,0|1,0,0]=3 5303 B12R1.7 CCCCNCc1cnc(s1)Cl f636327e627a0db021319c9f49e528e2 [0,2,0,0,0,0|1,0,0]=3 5304 B12R1.7 CCCCNCc1coc(=O)o1 16b58ba33f1a516a6331889f6643fbcb [0,2,0,0,0,0|1,1,0]=4 5305 B12R1.7 CCCCNCc1coc(n1)C 910733bf571aae969ac87fefe3b78f06 [0,2,0,0,0,0|2,0,0]=4 5306 B12R1.7 CCCCNCc1csc(c1)Br 897dedec28b8838585435b8018c96afe [0,2,0,0,0,0|2,0,0]=4 5307 B12R1.7 CCCCNCc1csc(c1)C c5ab1fbce171ed801fdba9eb7b39e87c [0,2,0,0,0,0|2,0,0]=4 5308 B12R1.7 CCCCNCc1csc(c1)Cl b94d254864f9d9ffcfa51cf917dd7820 [0,2,0,0,0,0|2,0,0]=4 5309 B12R1.7 CCCCNCc1csc(n1)Br 91c52debb4c56dd9a7b6727d343af2b2 [0,2,0,0,0,0|2,0,0]=4 5310 B12R1.7 CCCCNCc1csc(n1)C 906e7c7d0fd4faf09b20eebfc87b3ed3 [0,2,0,0,0,0|2,0,0]=4 5311 B12R1.7 CCCCNCc1csc(n1)Cl b1af920a0801a71525edb3bdf5f41d2f [0,2,0,0,0,0|2,0,0]=4 5312 B12R1.7 CCCCNCc1nc(co1)C 1c1035ba8006a18c963bc6e13dcdb01a [0,2,0,0,0,0|1,1,0]=4 5313 B12R1.7 CCCCNCc1nc(cs1)Br f7a375a74deaccba9b1020f9951e2503 [0,2,0,0,0,0|1,0,0]=3 5314 B12R1.7 CCCCNCc1nc(cs1)C 1d01815c8570514fcc18113eacb6642e [0,2,0,0,0,0|1,0,0]=3 5315 B12R1.7 CCCCNCc1nc(cs1)Cl d6bf2912cf83907e5ce88fa14d647c99 [0,2,0,0,0,0|1,0,0]=3 5316 B12R1.7 CCCCNCc1ncc(o1)Br 4e87b22a1d6c818dca32f409e94a3242 [0,2,0,0,0,0|1,1,0]=4 5317 B12R1.7 CCCCNCc1ncc(o1)C 762096386f9b0db1e47fd9dbefff6bd8 [0,2,0,0,0,0|1,1,0]=4 5318 B12R1.7 CCCCNCc1ncc(s1)Br 167bbb707b3e07f0d371a956283b925d [0,2,0,0,0,0|1,0,0]=3 5319 B12R1.7 CCCCNCc1ncc(s1)C fd5e835a8fc00bf45fe351053c56c687 [0,2,0,0,0,0|1,0,0]=3 5320 B12R1.7 CCCCNCc1ncc(s1)Cl 5dbe0d213d0fe2d8c4c9895d8c92c82d [0,2,0,0,0,0|1,0,0]=3 5321 B12R1.7 CCCCNCc1nnc(s1)Br 533e17d44fdec97c53aeea83b6121358 [0,2,0,0,0,0|2,0,0]=4 5322 B12R1.7 CCCCNCc1nnc(s1)C f0c7d5205c27e114343a880450dcdc86 [0,2,0,0,0,0|2,0,0]=4 5323 B12R1.7 CCCCNCn1cc(cn1)Cl 78a39d320f4082c2bc7c6ee589e2c8a0 [0,2,0,0,0,0|2,0,0]=4 5324 B12R1.7 CCCCOCC1=CC(=O)OC1 12db081900046f7742c01970c96c71e9 [0,2,0,0,0,0|2,0,0]=4 5325 B12R1.7 CCCCOCC1C=CC(=O)O1 71e5a849e15a8f3ccda7eccbe9a95a1a [0,2,0,0,0,0|0,1,1]=4 5326 B12R1.7 CCCCOC[C@@H]1C=CC(=O)O1 de0b4bae3c80428b1ec552bf01f754dc [0,2,0,0,0,0|0,1,1]=4 5327 B12R1.7 CCCCOCc1c[nH]c(n1)C 263700b001bc9cb60f2505d8a5ba960c [0,2,0,0,0,0|2,0,0]=4 5328 B12R1.7 CCCCOCc1cc(co1)Br 6a8f6d2b153e2d81b329ec3ee8a43092 [0,2,0,0,0,0|0,1,0]=3 5329 B12R1.7 CCCCOCc1cc(cs1)Br 46250b243697f005844fc2bd38c5cfee [0,2,0,0,0,0|0,0,0]=2 5330 B12R1.7 CCCCOCc1cc(cs1)C f8976861981d0f24f87f0cf53cd4a0c8 [0,2,0,0,0,0|0,0,0]=2 5331 B12R1.7 CCCCOCc1cc(cs1)Cl 9fe8199740eb44e41cd43fc1096b1656 [0,2,0,0,0,0|0,0,0]=2 5332 B12R1.7 CCCCOCc1cc(n[nH]1)C 647a8fce4c685c2c0d1cdf42c66081ac [0,2,0,0,0,0|2,0,0]=4 5333 B12R1.7 CCCCOCc1cc(no1)Br 2ab808783247a12b0546eaf864882a31 [0,2,0,0,0,0|1,1,0]=4 5334 B12R1.7 CCCCOCc1cc(no1)C 25f3706b71cb3ecc923054bde8f4330b [0,2,0,0,0,0|1,1,0]=4 5335 B12R1.7 CCCCOCc1cc(on1)C 6f5089d3393acc55f14ed11ca633d405 [0,2,0,0,0,0|2,0,0]=4 5336 B12R1.7 CCCCOCc1cc(sn1)Br 68290394193b0033c528e15b27ef91dc [0,2,0,0,0,0|2,0,0]=4 5337 B12R1.7 CCCCOCc1cc(sn1)C ea05e6fbac18bda655979a2c2f33ed29 [0,2,0,0,0,0|2,0,0]=4 5338 B12R1.7 CCCCOCc1ccc(o1)Br 1d1b4c605ff5bbe752003b38189238e6 [0,2,0,0,0,0|0,1,0]=3 5339 B12R1.7 CCCCOCc1ccc(o1)C 4f2da2e1fb904eee55a33602b9b6376e [0,2,0,0,0,0|0,1,0]=3 5340 B12R1.7 CCCCOCc1ccc(s1)Br bfec8fed140d1e8519e1c6c97e469283 [0,2,0,0,0,0|0,0,0]=2 5341 B12R1.7 CCCCOCc1ccc(s1)C 83dbce29defaa2f62d25ef895cf9225c [0,2,0,0,0,0|0,0,0]=2 5342 B12R1.7 CCCCOCc1ccc(s1)Cl c179a1772ca5a7a479af896ee95047a9 [0,2,0,0,0,0|0,0,0]=2 5343 B12R1.7 CCCCOCc1ccc(s1)F 55e734c8caa7f1bbadbcb88b869bd05f [0,2,0,0,0,0|0,0,0]=2 5344 B12R1.7 CCCCOCc1ccn(c1)C 1792256efdceb24142e2e7036917e4e3 [0,2,0,0,0,0|2,0,0]=4 5345 B12R1.7 CCCCOCc1ccn(n1)C ee36d98f1f94e35eedab9826afeaee27 [0,2,0,0,0,0|2,0,0]=4 5346 B12R1.7 CCCCOCc1cn(cn1)C db40bf5b1e522cf8df7ff87d3ef6671f [0,2,0,0,0,0|2,0,0]=4 5347 B12R1.7 CCCCOCc1cnc(o1)C d6da4f25ed470877e476914c897ea8f4 [0,2,0,0,0,0|1,1,0]=4 5348 B12R1.7 CCCCOCc1cnc(s1)Br 04e5cc75a16110e4d1001c22f6e9272e [0,2,0,0,0,0|1,0,0]=3 5349 B12R1.7 CCCCOCc1cnc(s1)C 9ced98bb5e1640f04633fb4c1bd98341 [0,2,0,0,0,0|1,0,0]=3 5350 B12R1.7 CCCCOCc1cnc(s1)Cl 1972aa4b0b9457b39fa131755d4d1937 [0,2,0,0,0,0|1,0,0]=3 5351 B12R1.7 CCCCOCc1coc(=O)o1 97db6795bb2f18cc4ca3661025bee14e [0,2,0,0,0,0|1,1,0]=4 5352 B12R1.7 CCCCOCc1coc(c1)Br ffaaa3349bfa396cc5aeabf6cfd1fe51 [0,2,0,0,0,0|2,0,0]=4 5353 B12R1.7 CCCCOCc1coc(n1)Br da41c78f15029d1f88a41b842fa43aa6 [0,2,0,0,0,0|2,0,0]=4 5354 B12R1.7 CCCCOCc1coc(n1)C 94a913634aae749a35f1e4ccbd29204a [0,2,0,0,0,0|2,0,0]=4 5355 B12R1.7 CCCCOCc1coc(n1)Cl 271102b7c106b12c4f66203a3ffd36c7 [0,2,0,0,0,0|2,0,0]=4 5356 B12R1.7 CCCCOCc1csc(c1)Br 54a02ea398d5236a4020000f3a88c49b [0,2,0,0,0,0|2,0,0]=4 5357 B12R1.7 CCCCOCc1csc(c1)C 254f4b589d392508c0e0ae5639e7c1b8 [0,2,0,0,0,0|2,0,0]=4 5358 B12R1.7 CCCCOCc1csc(c1)Cl 338f0b2efe34dbda9328fff0e09f7ac1 [0,2,0,0,0,0|2,0,0]=4 5359 B12R1.7 CCCCOCc1csc(n1)Br 8c2b26c1c2ede3dafef0d342b57ecf97 [0,2,0,0,0,0|2,0,0]=4 5360 B12R1.7 CCCCOCc1csc(n1)C d74a777fe2726ccd8b0e15944b570227 [0,2,0,0,0,0|2,0,0]=4 5361 B12R1.7 CCCCOCc1csc(n1)Cl f24ac4a219115a1d9e628cc9db310a3a [0,2,0,0,0,0|2,0,0]=4 5362 B12R1.7 CCCCOCc1nc(c[nH]1)C f5828c99945f72c2109ad49eb90345f7 [0,2,0,0,0,0|2,0,0]=4 5363 B12R1.7 CCCCOCc1nc(co1)Br 19d6c7d18ab0598f79e43f70edcae9f9 [0,2,0,0,0,0|1,1,0]=4 5364 B12R1.7 CCCCOCc1nc(cs1)Br 260336bc7435b97d33e52c26c82762dc [0,2,0,0,0,0|1,0,0]=3 5365 B12R1.7 CCCCOCc1nc(cs1)C aba22263e27ad72ffec6f7664cf46754 [0,2,0,0,0,0|1,0,0]=3 5366 B12R1.7 CCCCOCc1nc(ns1)C bee89bb667213d2296d56d6999638629 [0,2,0,0,0,0|2,0,0]=4 5367 B12R1.7 CCCCOCc1ncc(o1)Br bfe94a5f35d5e564c0dd8692dbbd74f3 [0,2,0,0,0,0|1,1,0]=4 5368 B12R1.7 CCCCOCc1ncc(s1)Br 31852b40bb77e72e59566649551e68f1 [0,2,0,0,0,0|1,0,0]=3 5369 B12R1.7 CCCCOCc1ncc(s1)C 9450e7e9361aa74afe4540589320d80c [0,2,0,0,0,0|1,0,0]=3 5370 B12R1.7 CCCCOCc1ncc(s1)Cl 15ead32e2993f4b6d414952fce47c599 [0,2,0,0,0,0|1,0,0]=3 5371 B12R1.7 CCCCOCc1nnc(s1)Br bd20f2989913d1a2e1d1c4575b9013ce [0,2,0,0,0,0|2,0,0]=4 5372 B12R1.7 CCCCOCc1nnc(s1)C e2def168f55afcba1974f9989c5324ba [0,2,0,0,0,0|2,0,0]=4 5373 B12R1.7 CCCCOCc1nnc(s1)Cl e71044aeefaac5bfd6bfaad40272ebeb [0,2,0,0,0,0|2,0,0]=4 5374 B12R1.7 CCCCOCn1cc(cn1)Br 5ce1807d223e9faa0b60a2c3e810450d [0,2,0,0,0,0|2,0,0]=4 5375 B12R1.7 CCCCOCn1cc(cn1)Cl ae69e064914469231ba676cc0a11159e [0,2,0,0,0,0|2,0,0]=4 5376 B12R1.7 CCCCOCn1ccc(n1)Br 23bd5935324d556763c013bb3965cf64 [0,2,0,0,0,0|2,0,0]=4 5377 B12R1.7 CCCCOCn1ccc(n1)I 084f16c9ec72c266520bb580b877861e [0,2,0,0,0,0|2,0,0]=4 5378 B12R1.7 CCCNCCc1cc([nH]n1)C 7f6bab87907f43e9dc4e8efdb377a7d7 [0,2,0,0,0,0|2,0,0]=4 5379 B12R1.7 CCCNCCc1ccc(o1)C c99b31552ba319d54eeeb73e4751250d [0,2,0,0,0,0|0,1,0]=3 5380 B12R1.7 CCCNCCc1ccc(s1)Br 60ff23348cc550f1507cef1eab5389d0 [0,2,0,0,0,0|0,0,0]=2 5381 B12R1.7 CCCNCCc1ccc(s1)C b0737737ee23fc0592d4bb0e31befa08 [0,2,0,0,0,0|0,0,0]=2 5382 B12R1.7 CCCNCCc1ccn(n1)C d119ef3f431d1a0919c037b9653a4ce0 [0,2,0,0,0,0|2,0,0]=4 5383 B12R1.7 CCCNCCc1cn(cn1)C 772db3e807e45b6dba9537b80b84867b [0,2,0,0,0,0|2,0,0]=4 5384 B12R1.7 CCCNCCc1csc(n1)C 9ec3877b7bc648889334190cd5bfe412 [0,2,0,0,0,0|2,0,0]=4 5385 B12R1.7 CCCNCCc1nc(c[nH]1)C 50e5534ed80f33efb390fa42cf168050 [0,2,0,0,0,0|2,0,0]=4 5386 B12R1.7 CCCNCCc1nc(cs1)C 8b0138e690fa5d9c0e228487dd9947ce [0,2,0,0,0,0|1,0,0]=3 5387 B12R1.7 CCCNCCc1ncc(o1)C fba23f5ffcb34ecf4b9143b79f331e1d [0,2,0,0,0,0|1,1,0]=4 5388 B12R1.7 CCCNCCn1cc(cn1)Br 35a1ce9f5ceaed54f1beb89b95384e04 [0,2,0,0,0,0|2,0,0]=4 5389 B12R1.7 CCCNCCn1cc(cn1)C ce889f020c952f3726189bf3380f6b6d [0,2,0,0,0,0|2,0,0]=4 5390 B12R1.7 CCCNCCn1cc(cn1)Cl bd5ce668de9a5c99261c340c7874ae86 [0,2,0,0,0,0|2,0,0]=4 5391 B12R1.7 CCCNCCn1cc(cn1)F 1f706376a1c9caba6b110728bfda2c44 [0,2,0,0,0,0|2,0,0]=4 5392 B12R1.7 CCCNCCn1cc(cn1)I 730e667abd5249a7408b58147039fd0e [0,2,0,0,0,0|2,0,0]=4 5393 B12R1.7 CCCNCCn1ccc(n1)C 6184db20f1a82be85a528652542afc99 [0,2,0,0,0,0|2,0,0]=4 5394 B12R1.7 CCCOCCc1cc(no1)Br 110a1e8f2f1fa7ff8ec12dab1422896f [0,2,0,0,0,0|1,1,0]=4 5395 B12R1.7 CCCOCCc1cc(no1)C fa9abc65da8cedcc1e0eff4185cb497a [0,2,0,0,0,0|1,1,0]=4 5396 B12R1.7 CCCOCCc1ccc(o1)C bb4609ac83086ab644e248b2aa2424ee [0,2,0,0,0,0|0,1,0]=3 5397 B12R1.7 CCCOCCc1ccn(n1)C 049aba554934dba7050f4367dabe9a24 [0,2,0,0,0,0|2,0,0]=4 5398 B12R1.7 CCCOCCc1cnc(s1)C 8071dc03c0c61ce4daae9776db29b0cd [0,2,0,0,0,0|1,0,0]=3 5399 B12R1.7 CCCOCCc1csc(c1)Cl cd145c6da64ea18e100d80ee2afa03a7 [0,2,0,0,0,0|2,0,0]=4 5400 B12R1.7 CCCOCCc1csc(n1)Br 1d41bfca3bdc5cfe5eb6972b795b5e51 [0,2,0,0,0,0|2,0,0]=4 5401 B12R1.7 CCCOCCc1csc(n1)C 0b7362a1ec0bbfec2758ebbbf49baff0 [0,2,0,0,0,0|2,0,0]=4 5402 B12R1.7 CCCOCCc1nc(cs1)Br 5c1fd8d50a0369ab49957e9ec15cbeaa [0,2,0,0,0,0|1,0,0]=3 5403 B12R1.7 CCCOCCc1nc(cs1)C 048c8496a4650cbffb34cefb74d8f33c [0,2,0,0,0,0|1,0,0]=3 5404 B12R1.7 CCCOCCn1cc(cn1)Br 06ac26a4ec2fb827e27eac9523886586 [0,2,0,0,0,0|2,0,0]=4 5405 B12R1.7 CCCOCCn1cc(cn1)C e4b089c8b1c2ce665a61f21088ef3516 [0,2,0,0,0,0|2,0,0]=4 5406 B12R1.7 CCCOCCn1cc(cn1)Cl f66d50d462f02cc9badea99516c03ce0 [0,2,0,0,0,0|2,0,0]=4 5407 B12R1.7 CCCOCCn1cc(cn1)F b8abd3cad83c618a07796274f9791fab [0,2,0,0,0,0|2,0,0]=4 5408 B12R1.7 CCCOCCn1cc(cn1)I 5e3439a99f7410faa79640be684d418d [0,2,0,0,0,0|2,0,0]=4 5409 B12R1.7 CCCOCCn1ccc(=O)[nH]1 6255899065d76a13ad11e93bf0cd9570 [0,2,0,0,0,0|2,0,0]=4 5410 B12R1.7 CCCOCCn1ccc(n1)Br d9b475b8e7dcf141d7f27deeb57d8799 [0,2,0,0,0,0|2,0,0]=4 5411 B12R1.7 CCCOCCn1ccc(n1)C 39ea0ec7f19d5bf49678f1ba6ec84fa1 [0,2,0,0,0,0|2,0,0]=4 5412 B12R1.7 CCNCCCc1ccc(s1)C 2f77e2eed173b424efeab4a1f10ffd3e [0,2,0,0,0,0|0,0,0]=2 5413 B12R1.7 CCNCCCn1cc(cn1)Br 144405fcc5bef321a852fdeda66349f7 [0,2,0,0,0,0|2,0,0]=4 5414 B12R1.7 CCNCCCn1cc(cn1)C be200d63daba2b4205325ad7eff0b608 [0,2,0,0,0,0|2,0,0]=4 5415 B12R1.7 CCOCCCc1cc(no1)C c0ba4f9289ef50d56744f4694997c791 [0,2,0,0,0,0|1,1,0]=4 5416 B12R1.7 CCOCCCn1cc(cn1)Br 26588ae918e5235c14425dc8c1b2742b [0,2,0,0,0,0|2,0,0]=4 5417 B12R1.7 CCOCCCn1cc(cn1)I c4d78326ca75f6032b4f5a314a9e9c2b [0,2,0,0,0,0|2,0,0]=4 5418 B12R1.7 CCOCCNc1cc(co1)C 441809f53e1f85d8326c2d6677f40eba [0,2,0,0,0,0|1,1,0]=4 5419 B12R1.7 CCOCCNc1cc(cs1)C eb3cb9ab79bbef7668fd92e091bb9307 [0,2,0,0,0,0|1,0,0]=3 5420 B12R1.7 CCOCCNc1cc(cs1)F a4225a64bd838ccc2863d38805e88da7 [0,2,0,0,0,0|1,0,0]=3 5421 B12R1.7 CCOCCNc1cc(ns1)C 9be11bc6d6ad3ccf0e3608f9eac5fadb [0,2,0,0,0,0|2,0,0]=4 5422 B12R1.7 CCOCCNc1cc(ns1)O 92a4f566c7b705f64e59f56cf6da67b5 [0,2,0,0,0,0|2,0,0]=4 5423 B12R1.7 CCOCCNc1ccc(o1)C 92248577668b574d929bd39e830f85e7 [0,2,0,0,0,0|1,1,0]=4 5424 B12R1.7 CCOCCNc1ccc(s1)Br bbe81b2d84cdae5131d039688823b694 [0,2,0,0,0,0|1,0,0]=3 5425 B12R1.7 CCOCCNc1ccc(s1)C a5aa54420c36f5d5140f3407e7951124 [0,2,0,0,0,0|1,0,0]=3 5426 B12R1.7 CCOCCNc1ccc(s1)F 4ac98770663dd185159f2b02608efd75 [0,2,0,0,0,0|1,0,0]=3 5427 B12R1.7 CCOCCNc1ccc(s1)O ed7b75c6877089d1860af88661990fea [0,2,0,0,0,0|1,0,0]=3 5428 B12R1.7 CCOCCNc1cnc(s1)Br d772ca6be58ec9dee858a5dda1d244a7 [0,2,0,0,0,0|2,0,0]=4 5429 B12R1.7 CCOCCNc1cnc(s1)C a5a087ddbb448b69fa4dfc3658adf68a [0,2,0,0,0,0|2,0,0]=4 5430 B12R1.7 CCOCCNc1cnc(s1)N 2e7f8b88fcc3577dba8ce31f5d5a174a [0,2,0,0,0,0|2,0,0]=4 5431 B12R1.7 CCOCCNc1cnc(s1)S b7ed77cf1b1311bd8f2875fdb6aad16a [0,2,0,0,0,0|2,0,0]=4 5432 B12R1.7 CCOCCNc1nc(cs1)Br 910cf87f2c2c3d0b1a287a75c72a3177 [0,2,0,0,0,0|2,0,0]=4 5433 B12R1.7 CCOCCNc1nc(cs1)C 65a136b1ae7261e52109f01428918019 [0,2,0,0,0,0|2,0,0]=4 5434 B12R1.7 CCOCCNc1nc(cs1)Cl 8dcbc920ab75bfcf7823cda836f84a20 [0,2,0,0,0,0|2,0,0]=4 5435 B12R1.7 CCOCCNc1ncc(s1)Br 1a7358fa19b5ff4e3c0d6dd450ab8751 [0,2,0,0,0,0|2,0,0]=4 5436 B12R1.7 CCOCCNc1ncc(s1)C d927c23efdda88f09b74546180083f56 [0,2,0,0,0,0|2,0,0]=4 5437 B12R1.7 CCOCCNc1ncc(s1)Cl 6b4c39c0554126d3d430dbd58137c4fc [0,2,0,0,0,0|2,0,0]=4 5438 B12R1.7 CCOCCNc1ncc(s1)F 53d38463bb7fe5a7e05c61f97b5ea3f0 [0,2,0,0,0,0|2,0,0]=4 5439 B12R1.7 CCOCCOc1cc(cs1)C a97b8274cf817bd89146a2230603f29f [0,2,0,0,0,0|1,0,0]=3 5440 B12R1.7 CCOCCOc1ccc(s1)Br fb10e651faf0040434b2fa466e0999cf [0,2,0,0,0,0|1,0,0]=3 5441 B12R1.7 CCOCCOc1nc(cs1)Br 3477b31069933d3ef0c0f270c77121e5 [0,2,0,0,0,0|2,0,0]=4 5442 B12R1.7 CCOCNCc1cc(c[nH]1)Br a61cdd9516713b970d7221e8c5e57146 [0,2,0,0,0,0|2,0,0]=4 5443 B12R1.7 CCOCNCc1cc(co1)C 6f1f7022ce56932123580f6fa2cefb0b [0,2,0,0,0,0|1,1,0]=4 5444 B12R1.7 CCOCNCc1cc(cs1)Br 720ede9aefe8f4aa5b29bd8704a75f41 [0,2,0,0,0,0|1,0,0]=3 5445 B12R1.7 CCOCNCc1cc(cs1)C f52ce107e5e700ef9b1aa7c1abba3e73 [0,2,0,0,0,0|1,0,0]=3 5446 B12R1.7 CCOCNCc1cc(cs1)Cl 05fe3fd7e0e378b9f9c4578f09e2d816 [0,2,0,0,0,0|1,0,0]=3 5447 B12R1.7 CCOCNCc1cc(ns1)Br 58e2a82fd6b9dd42aab248da705dfb37 [0,2,0,0,0,0|2,0,0]=4 5448 B12R1.7 CCOCNCc1ccc(o1)Br e2da3430354a05c77c2c862e0b842144 [0,2,0,0,0,0|1,1,0]=4 5449 B12R1.7 CCOCNCc1ccc(o1)C ca19215615bb3404aab51abed405c0b5 [0,2,0,0,0,0|1,1,0]=4 5450 B12R1.7 CCOCNCc1ccc(s1)C 328f98e98711dbb0f97580008a8b2794 [0,2,0,0,0,0|1,0,0]=3 5451 B12R1.7 CCOCNCc1ccc(s1)Cl 38e0c1960b30c8abada9827af5409059 [0,2,0,0,0,0|1,0,0]=3 5452 B12R1.7 CCOCNCc1ccc(s1)F 9bf3393bafc7157563d9101bedce4215 [0,2,0,0,0,0|1,0,0]=3 5453 B12R1.7 CCOCNCc1cnc(s1)Br 69ec9372feeffd73fb0ce1384bbce240 [0,2,0,0,0,0|2,0,0]=4 5454 B12R1.7 CCOCNCc1cnc(s1)C a29003cfa1df3f4f518e28292be3d10d [0,2,0,0,0,0|2,0,0]=4 5455 B12R1.7 CCOCNCc1nc(cs1)Br 3f69e8f3923b858c7083ae4650547235 [0,2,0,0,0,0|2,0,0]=4 5456 B12R1.7 CCOCNCc1nc(cs1)C cc6d6f2ace9ba942272879e074653235 [0,2,0,0,0,0|2,0,0]=4 5457 B12R1.7 CCOCNCc1nc(cs1)Cl 57e3b9fec4257c0383e3872be89b7600 [0,2,0,0,0,0|2,0,0]=4 5458 B12R1.7 CCOCNCc1ncc(s1)C 431dd39a4fb820faab3c92879ce18399 [0,2,0,0,0,0|2,0,0]=4 5459 B12R1.7 CCOCNCc1ncc(s1)Cl beda802d46a3f23a19fdb6db546f9290 [0,2,0,0,0,0|2,0,0]=4 5460 B12R1.7 CCOCOCc1ccc(o1)C 1c72c183d48ba826075256680128a84f [0,2,0,0,0,0|1,1,0]=4 5461 B12R1.7 CCOCOCc1nc(cs1)C dc31e5241cc72183abfe0666cd49d53d [0,2,0,0,0,0|2,0,0]=4 5462 B12R1.7 CCOCOCc1ncc(s1)C f2c1188db8831b7ee7c975c5bd2a84d3 [0,2,0,0,0,0|2,0,0]=4 5463 B12R1.7 CCOCOCc1ncc(s1)Cl c2c533ea55959801289516daa053b4dd [0,2,0,0,0,0|2,0,0]=4 5464 B12R1.7 CCSCCNc1cc(ns1)C a897d632b94c6f2c49c4567c60f50e6a [0,2,0,0,0,0|2,0,0]=4 5465 B12R1.7 CCSCCNc1ccc(o1)C a3442a0691c7c3e02732abe730e29a09 [0,2,0,0,0,0|1,1,0]=4 5466 B12R1.7 CCSCCNc1ccc(s1)Br 2ff5df5ef726a7e8bb4795aa1eb2ae50 [0,2,0,0,0,0|1,0,0]=3 5467 B12R1.7 CCSCCNc1ccc(s1)C f2479c9fab66f84485a7d8e8270be678 [0,2,0,0,0,0|1,0,0]=3 5468 B12R1.7 CCSCCNc1ccc(s1)F 480bfdb720c337287b47109ebf9b27b7 [0,2,0,0,0,0|1,0,0]=3 5469 B12R1.7 CCSCCNc1cnc(s1)Br d6d4e143e715c3a0f32fc5b8f112d077 [0,2,0,0,0,0|2,0,0]=4 5470 B12R1.7 CCSCCNc1cnc(s1)C dc0da26bb5e5559b987ccee1c2d370b5 [0,2,0,0,0,0|2,0,0]=4 5471 B12R1.7 CCSCCNc1cnc(s1)S 419385555cce7279f9ca64c0bae63f52 [0,2,0,0,0,0|2,0,0]=4 5472 B12R1.7 CCSCCNc1nc(cs1)Br 85a3519785f2759955af0d55c4ccfdbc [0,2,0,0,0,0|2,0,0]=4 5473 B12R1.7 CCSCCNc1nc(cs1)C b01022a3a2a79989f95879a48a236597 [0,2,0,0,0,0|2,0,0]=4 5474 B12R1.7 CCSCCNc1nc(cs1)Cl 4d6957513dda1ccefd411a0ef97d5f7b [0,2,0,0,0,0|2,0,0]=4 5475 B12R1.7 CCSCCNc1ncc(s1)Br 5acbea8d04a980e7dff54dc018f07f06 [0,2,0,0,0,0|2,0,0]=4 5476 B12R1.7 CCSCCNc1ncc(s1)C ef23eb859c24f28c87462749b1c48572 [0,2,0,0,0,0|2,0,0]=4 5477 B12R1.7 CCSCCNc1ncc(s1)Cl cae844721052f914db9682d677bded52 [0,2,0,0,0,0|2,0,0]=4 5478 B12R1.7 CCSCCNc1ncc(s1)F 1b336cf6a3cd5d84a9e3e4191d0f8389 [0,2,0,0,0,0|2,0,0]=4 5479 B12R1.7 CCSCCOc1cc(cs1)C 2f5bb3cd0f95cd1f7a4f0bdd2ef3b8d7 [0,2,0,0,0,0|1,0,0]=3 5480 B12R1.7 CCSCCOc1ccc(s1)Br 1ce929fc8b30acf4e1764fac6a41369a [0,2,0,0,0,0|1,0,0]=3 5481 B12R1.7 CCSCCOc1nc(cs1)Br da67798f1f9d16fd621986a2bc94c45b [0,2,0,0,0,0|2,0,0]=4 5482 B12R1.7 COCCCNc1cc(ns1)C 761aad336b48412f65ba751715dc091f [0,2,0,0,0,0|2,0,0]=4 5483 B12R1.7 COCCCNc1ccc(o1)C cb2ac21b48d059d74cc95ae2a01cf7a5 [0,2,0,0,0,0|1,1,0]=4 5484 B12R1.7 COCCCNc1ccc(s1)Br b4ca4dfdf94ddda9b39ca9b30eb9c647 [0,2,0,0,0,0|1,0,0]=3 5485 B12R1.7 COCCCNc1ccc(s1)C c10c040253760f961821eac948108179 [0,2,0,0,0,0|1,0,0]=3 5486 B12R1.7 COCCCNc1ccc(s1)F 6138787a0fe8a2e1549e24693654bf2e [0,2,0,0,0,0|1,0,0]=3 5487 B12R1.7 COCCCNc1cnc(s1)Br 5fa9f280f3614bdb4dd1bf84ff21fec1 [0,2,0,0,0,0|2,0,0]=4 5488 B12R1.7 COCCCNc1cnc(s1)C 3e479d86c44c2052991031537dafc853 [0,2,0,0,0,0|2,0,0]=4 5489 B12R1.7 COCCCNc1cnc(s1)N 74d8cba9e3987bc2744f609c2471edbe [0,2,0,0,0,0|2,0,0]=4 5490 B12R1.7 COCCCNc1cnc(s1)S bddbbe08d8c571ceefa40bade1c3a712 [0,2,0,0,0,0|2,0,0]=4 5491 B12R1.7 COCCCNc1nc(cs1)Br c089c67c0ba37cbe5008ebee619fecf3 [0,2,0,0,0,0|2,0,0]=4 5492 B12R1.7 COCCCNc1nc(cs1)C 12bb01f402739ce11da73568e1e2650f [0,2,0,0,0,0|2,0,0]=4 5493 B12R1.7 COCCCNc1nc(cs1)Cl 26371727a56d9335b76da9c37ccc9be7 [0,2,0,0,0,0|2,0,0]=4 5494 B12R1.7 COCCCNc1ncc(s1)Br 18c850fabcc5c59290ab91f35236b951 [0,2,0,0,0,0|2,0,0]=4 5495 B12R1.7 COCCCNc1ncc(s1)C 4eac05e2f04f29abc8e71f6e3c37cf20 [0,2,0,0,0,0|2,0,0]=4 5496 B12R1.7 COCCCNc1ncc(s1)Cl 3c2e7c7a03ff2f624412b8014640ccd9 [0,2,0,0,0,0|2,0,0]=4 5497 B12R1.7 COCCCNc1ncc(s1)F 134c638b063a7b9b12cfdacc46b56642 [0,2,0,0,0,0|2,0,0]=4 5498 B12R1.7 COCCCNc1ncc(s1)S 5a015b4b69392af81584a776aae02519 [0,2,0,0,0,0|2,0,0]=4 5499 B12R1.7 COCCCOc1cc(cs1)C 36a08dce5636ef09713dca00f16aa079 [0,2,0,0,0,0|1,0,0]=3 5500 B12R1.7 COCCCOc1ccc(s1)Br 97358f08526b52cb7b7a051e52c1f6f9 [0,2,0,0,0,0|1,0,0]=3 5501 B12R1.7 COCCCOc1nc(cs1)Br d709b8f757a69f2b8f40c7a9a234f8dc [0,2,0,0,0,0|2,0,0]=4 5502 B12R1.7 COCCNCc1cc(c[nH]1)Br 7cd8ad98fbaee909a6774f86a0e74efd [0,2,0,0,0,0|2,0,0]=4 5503 B12R1.7 COCCNCc1cc(co1)C 4789a0615c95b0f510dbfc9fde68245a [0,2,0,0,0,0|1,1,0]=4 5504 B12R1.7 COCCNCc1cc(cs1)Br 39d2a7b581c526d9d88c0d00e00d9451 [0,2,0,0,0,0|1,0,0]=3 5505 B12R1.7 COCCNCc1cc(cs1)C dd5be5d76d3a10a83b1260f85a675ef9 [0,2,0,0,0,0|1,0,0]=3 5506 B12R1.7 COCCNCc1cc(cs1)Cl 6725e030ffbe0ed1f452248abfbb4a50 [0,2,0,0,0,0|1,0,0]=3 5507 B12R1.7 COCCNCc1cc(ns1)Br 9c344a47033e18497e15e65019eba8ac [0,2,0,0,0,0|2,0,0]=4 5508 B12R1.7 COCCNCc1cc(ns1)C b54cfdf56aa156a9186104ab08796c66 [0,2,0,0,0,0|2,0,0]=4 5509 B12R1.7 COCCNCc1ccc(o1)Br 917f75fd20587fd17d45a1c22dea8032 [0,2,0,0,0,0|1,1,0]=4 5510 B12R1.7 COCCNCc1ccc(o1)C ae82787ee18bc90ac3459b3c6a845873 [0,2,0,0,0,0|1,1,0]=4 5511 B12R1.7 COCCNCc1ccc(s1)Br bc317d8f1f79d3b670f1308281d913da [0,2,0,0,0,0|1,0,0]=3 5512 B12R1.7 COCCNCc1ccc(s1)C 5773262694faf066a875a5a5d19c5148 [0,2,0,0,0,0|1,0,0]=3 5513 B12R1.7 COCCNCc1ccc(s1)Cl 7766da2918b950ae68cde0f2fac876c7 [0,2,0,0,0,0|1,0,0]=3 5514 B12R1.7 COCCNCc1ccc(s1)F 66663c7a5d1e4c9987c40ef959cbecd4 [0,2,0,0,0,0|1,0,0]=3 5515 B12R1.7 COCCNCc1cnc(s1)Br e7ea57b8b4d435796095432c261a37e3 [0,2,0,0,0,0|2,0,0]=4 5516 B12R1.7 COCCNCc1cnc(s1)C d2638834b8e8d7ebdd54c243ad0b39e8 [0,2,0,0,0,0|2,0,0]=4 5517 B12R1.7 COCCNCc1cnc(s1)Cl 190a5a99666a9e347c325e72fc8deed1 [0,2,0,0,0,0|2,0,0]=4 5518 B12R1.7 COCCNCc1nc(cs1)Br 43b8434fcca4d6463382800dcbd7c140 [0,2,0,0,0,0|2,0,0]=4 5519 B12R1.7 COCCNCc1nc(cs1)C ff39da74dc6bfdc9aa701c66d5a4c396 [0,2,0,0,0,0|2,0,0]=4 5520 B12R1.7 COCCNCc1nc(cs1)Cl 000ea28d63b315a7dc507dbdfb55ac6a [0,2,0,0,0,0|2,0,0]=4 5521 B12R1.7 COCCNCc1ncc(s1)Br ad893d0cd401fd537e58479698ed7554 [0,2,0,0,0,0|2,0,0]=4 5522 B12R1.7 COCCNCc1ncc(s1)C ccc9e21ecf96826d0e9a8c4c77836ce3 [0,2,0,0,0,0|2,0,0]=4 5523 B12R1.7 COCCNCc1ncc(s1)Cl 8e5df19ae5983cfa9d865eb5488b2ef7 [0,2,0,0,0,0|2,0,0]=4 5524 B12R1.7 COCCOCc1cc(co1)Br fbcdc00e03491599fd9fb0bdf018c82f [0,2,0,0,0,0|1,1,0]=4 5525 B12R1.7 COCCOCc1cc(cs1)Br 35379317368a806a7524a170835cacb7 [0,2,0,0,0,0|1,0,0]=3 5526 B12R1.7 COCCOCc1cc(cs1)C e56df5582037bb0398468c12f64ce443 [0,2,0,0,0,0|1,0,0]=3 5527 B12R1.7 COCCOCc1cc(cs1)Cl f8bf97c352beb5227b01b42f9cd82d08 [0,2,0,0,0,0|1,0,0]=3 5528 B12R1.7 COCCOCc1ccc(o1)Br 46bcf5438335c4155ea83d1633126d35 [0,2,0,0,0,0|1,1,0]=4 5529 B12R1.7 COCCOCc1ccc(o1)C d31a4358f6fee70af666d498af0fb0a7 [0,2,0,0,0,0|1,1,0]=4 5530 B12R1.7 COCCOCc1ccc(s1)Br 4066ab393d0cbc79a1796fb732b399ac [0,2,0,0,0,0|1,0,0]=3 5531 B12R1.7 COCCOCc1ccc(s1)C c4715dfbf699e7f97d4bec34d35b2ebc [0,2,0,0,0,0|1,0,0]=3 5532 B12R1.7 COCCOCc1ccc(s1)Cl 4136b288cd82ccca723b59260d437c5f [0,2,0,0,0,0|1,0,0]=3 5533 B12R1.7 COCCOCc1ccc(s1)F c548589acfef27bf4c3297c6f7a82a40 [0,2,0,0,0,0|1,0,0]=3 5534 B12R1.7 COCCOCc1cnc(s1)Br f6e72965697beb271e7d04cbb3c76b73 [0,2,0,0,0,0|2,0,0]=4 5535 B12R1.7 COCCOCc1cnc(s1)C 10ff0fab54cff7412c05bbd965ef548e [0,2,0,0,0,0|2,0,0]=4 5536 B12R1.7 COCCOCc1cnc(s1)Cl fc0e507b6f6d77b7910cb8a2090a41d3 [0,2,0,0,0,0|2,0,0]=4 5537 B12R1.7 COCCOCc1nc(cs1)Br 998c600cbfbe28732ef0abde8e30945f [0,2,0,0,0,0|2,0,0]=4 5538 B12R1.7 COCCOCc1nc(cs1)C 7436d99c6201f12c0f3bbaf407454af8 [0,2,0,0,0,0|2,0,0]=4 5539 B12R1.7 COCCOCc1ncc(s1)Br d1830e809f7bd5ece637e38789a0911b [0,2,0,0,0,0|2,0,0]=4 5540 B12R1.7 COCCOCc1ncc(s1)C 3accf30c5481ed5560b12b1dec9da6ce [0,2,0,0,0,0|2,0,0]=4 5541 B12R1.7 COCCOCc1ncc(s1)Cl 54a78944c96509ba46b6e5c2c80769f4 [0,2,0,0,0,0|2,0,0]=4 5542 B12R1.7 COCNCCc1ccc(o1)C 0fa83f1b16771d5b4761435296211b3f [0,2,0,0,0,0|1,1,0]=4 5543 B12R1.7 COCNCCc1ccc(s1)Br 668acd704e3b3e1d52fb315859677714 [0,2,0,0,0,0|1,0,0]=3 5544 B12R1.7 COCNCCc1ccc(s1)C ccc840181a33a0bdb8a121ae3a89c9ef [0,2,0,0,0,0|1,0,0]=3 5545 B12R1.7 COCNCCc1nc(cs1)C e38a140d68c68ca994d820ca5cd03512 [0,2,0,0,0,0|2,0,0]=4 5546 B12R1.7 COCOCCc1ccc(o1)C 88a6145e8a03f7cfe700be7977959115 [0,2,0,0,0,0|1,1,0]=4 5547 B12R1.7 COCOCCc1cnc(s1)C 83b81a590edb29823338fb95c7473ac9 [0,2,0,0,0,0|2,0,0]=4 5548 B12R1.7 COCOCCc1nc(cs1)Br ec8bba1c72d84eea9e95ee58017373f6 [0,2,0,0,0,0|2,0,0]=4 5549 B12R1.7 COCOCCc1nc(cs1)C c61cd9079b29883e9fac5f0247092254 [0,2,0,0,0,0|2,0,0]=4 5550 B12R1.7 CSCCCNc1cc(ns1)C ec880aaeb6c42085ecd30a6eed51df6f [0,2,0,0,0,0|2,0,0]=4 5551 B12R1.7 CSCCCNc1ccc(o1)C f5e20d05141602e8095f961a2eac60de [0,2,0,0,0,0|1,1,0]=4 5552 B12R1.7 CSCCCNc1ccc(s1)Br ebf1ad8889a6d32b7034ca71d7970a98 [0,2,0,0,0,0|1,0,0]=3 5553 B12R1.7 CSCCCNc1ccc(s1)C 0b8b6fd2ad5d48eeeb66bc19bd84b94e [0,2,0,0,0,0|1,0,0]=3 5554 B12R1.7 CSCCCNc1ccc(s1)F 3d409ced28f906cc6b3af33072dc0b47 [0,2,0,0,0,0|1,0,0]=3 5555 B12R1.7 CSCCCNc1cnc(s1)Br fe1faef7f320599eb120f9bc65a1e778 [0,2,0,0,0,0|2,0,0]=4 5556 B12R1.7 CSCCCNc1cnc(s1)C ed724ec1158ed7d155f5eea647dd7ab6 [0,2,0,0,0,0|2,0,0]=4 5557 B12R1.7 CSCCCNc1cnc(s1)N 7c0c6b053ada702e797b95e700b431b2 [0,2,0,0,0,0|2,0,0]=4 5558 B12R1.7 CSCCCNc1cnc(s1)S c70a8cc4b489d336e75709a81c17262f [0,2,0,0,0,0|2,0,0]=4 5559 B12R1.7 CSCCCNc1nc(cs1)Br 110cf4ceb90b86106e8f1c625433998a [0,2,0,0,0,0|2,0,0]=4 5560 B12R1.7 CSCCCNc1nc(cs1)C 4d6db87883b1b3879b2e0c9bb36597fd [0,2,0,0,0,0|2,0,0]=4 5561 B12R1.7 CSCCCNc1nc(cs1)Cl 59aa4f61fae5da7bc07108dc1fa4cbf1 [0,2,0,0,0,0|2,0,0]=4 5562 B12R1.7 CSCCCNc1ncc(s1)Br 3dffbfbe0875ce25c08ad16dff923b2e [0,2,0,0,0,0|2,0,0]=4 5563 B12R1.7 CSCCCNc1ncc(s1)C b2cf3c7a9a0136b2aecb243fb849d3ff [0,2,0,0,0,0|2,0,0]=4 5564 B12R1.7 CSCCCNc1ncc(s1)Cl 9f74bb749989f1a38b9e12606bf832fb [0,2,0,0,0,0|2,0,0]=4 5565 B12R1.7 CSCCCNc1ncc(s1)F 7bf1406e1b02829326b755f4ba4daa14 [0,2,0,0,0,0|2,0,0]=4 5566 B12R1.7 CSCCCNc1ncc(s1)S 8bdf96aff041ed92b3b1fcbad140b241 [0,2,0,0,0,0|2,0,0]=4 5567 B12R1.7 CSCCCOc1cc(cs1)C c7985cc9a1c170bec9e7b6b298829475 [0,2,0,0,0,0|1,0,0]=3 5568 B12R1.7 CSCCCOc1ccc(s1)Br 086a4150cf5bb52ff0d7583d6f001f18 [0,2,0,0,0,0|1,0,0]=3 5569 B12R1.7 CSCCCOc1nc(cs1)Br 51ac5f440a7e3a7a152a0277a1e17deb [0,2,0,0,0,0|2,0,0]=4 5570 B12R1.7 CSCCNCc1cc(c[nH]1)Br ca7340369dc1ec9cbbcb4e0c1e9de443 [0,2,0,0,0,0|2,0,0]=4 5571 B12R1.7 CSCCNCc1cc(co1)C 2dc7f5fa64e43319011dbae9ab336944 [0,2,0,0,0,0|1,1,0]=4 5572 B12R1.7 CSCCNCc1cc(cs1)Br 8e7c7f98b2f631a3875e616f32bbf10d [0,2,0,0,0,0|1,0,0]=3 5573 B12R1.7 CSCCNCc1cc(cs1)C 4c542dec6f6b2b47777769de90a14706 [0,2,0,0,0,0|1,0,0]=3 5574 B12R1.7 CSCCNCc1cc(cs1)Cl c76ff0a3a36f09b00c6201be12c21611 [0,2,0,0,0,0|1,0,0]=3 5575 B12R1.7 CSCCNCc1cc(ns1)Br 23d752cfdc74196e9b4693de09d94f1c [0,2,0,0,0,0|2,0,0]=4 5576 B12R1.7 CSCCNCc1cc(ns1)C 11883643ac99a7884ea47ba89c3e999b [0,2,0,0,0,0|2,0,0]=4 5577 B12R1.7 CSCCNCc1ccc(o1)Br 7968699822f77facbc19849278e5428d [0,2,0,0,0,0|1,1,0]=4 5578 B12R1.7 CSCCNCc1ccc(o1)C 4cee31523e642899fe9e5dc45f9b1792 [0,2,0,0,0,0|1,1,0]=4 5579 B12R1.7 CSCCNCc1ccc(s1)Br 0b85fbbfd0a495a0f3d92b0d3af340b6 [0,2,0,0,0,0|1,0,0]=3 5580 B12R1.7 CSCCNCc1ccc(s1)C 1826630916c4f1d851fd07e6351b6ed2 [0,2,0,0,0,0|1,0,0]=3 5581 B12R1.7 CSCCNCc1ccc(s1)Cl f8f8f16ebf5e456b9ad60b1e1de86569 [0,2,0,0,0,0|1,0,0]=3 5582 B12R1.7 CSCCNCc1ccc(s1)F bdb5518356ddf16a4214387a1aa9a878 [0,2,0,0,0,0|1,0,0]=3 5583 B12R1.7 CSCCNCc1cnc(s1)Br 84c1b5498933c568f843c320cadc6faf [0,2,0,0,0,0|2,0,0]=4 5584 B12R1.7 CSCCNCc1cnc(s1)C df21cafe5d26e6c7224a15fdd83f617b [0,2,0,0,0,0|2,0,0]=4 5585 B12R1.7 CSCCNCc1cnc(s1)Cl ddde97e8f92b24c15574c8b28ecb0a26 [0,2,0,0,0,0|2,0,0]=4 5586 B12R1.7 CSCCNCc1nc(cs1)Br eec5e40ae0b9993a9b4c135539deea1e [0,2,0,0,0,0|2,0,0]=4 5587 B12R1.7 CSCCNCc1nc(cs1)C c1d2fe98d419b42b91de582e2c56f7c0 [0,2,0,0,0,0|2,0,0]=4 5588 B12R1.7 CSCCNCc1nc(cs1)Cl 6314002f26638e5ea06217d059bf049e [0,2,0,0,0,0|2,0,0]=4 5589 B12R1.7 CSCCNCc1ncc(s1)Br 74f220fb3e068eed9950618fe146674f [0,2,0,0,0,0|2,0,0]=4 5590 B12R1.7 CSCCNCc1ncc(s1)C 21e7525a6a30f2b01564c906a6f61ca0 [0,2,0,0,0,0|2,0,0]=4 5591 B12R1.7 CSCCNCc1ncc(s1)Cl c79e06c4bd82f476cd8010ad515797c9 [0,2,0,0,0,0|2,0,0]=4 5592 B12R1.7 CSCCOCc1cc(co1)Br 1508b3b14a5359a193caca2d9bb0d1cc [0,2,0,0,0,0|1,1,0]=4 5593 B12R1.7 CSCCOCc1cc(cs1)Br 90be3d73f8c8a791b796086c908c49bc [0,2,0,0,0,0|1,0,0]=3 5594 B12R1.7 CSCCOCc1cc(cs1)C 13b895b064bb5fe6e1a0a4f3bae58b10 [0,2,0,0,0,0|1,0,0]=3 5595 B12R1.7 CSCCOCc1cc(cs1)Cl 56771a0fd0a46fc5eb1e495429c13cca [0,2,0,0,0,0|1,0,0]=3 5596 B12R1.7 CSCCOCc1ccc(o1)Br 26ced30f671e14e642c3e32ef4803b90 [0,2,0,0,0,0|1,1,0]=4 5597 B12R1.7 CSCCOCc1ccc(o1)C c49bbbd59adf1a391eb46e1476ee6a1f [0,2,0,0,0,0|1,1,0]=4 5598 B12R1.7 CSCCOCc1ccc(s1)Br 47280f06f617335ee58be29fcb5809a6 [0,2,0,0,0,0|1,0,0]=3 5599 B12R1.7 CSCCOCc1ccc(s1)C 1e19a7a42bbe541a7394cdeb62176d08 [0,2,0,0,0,0|1,0,0]=3 5600 B12R1.7 CSCCOCc1ccc(s1)Cl b3241b15c1958635f5ffdc929dea9792 [0,2,0,0,0,0|1,0,0]=3 5601 B12R1.7 CSCCOCc1ccc(s1)F 53170893912728b1ec3c0d98dde9306a [0,2,0,0,0,0|1,0,0]=3 5602 B12R1.7 CSCCOCc1cnc(s1)Br 9edb10dae723a814989bf81393bbbc9e [0,2,0,0,0,0|2,0,0]=4 5603 B12R1.7 CSCCOCc1cnc(s1)C 6e3c9baca97835ff579a4491c6188a45 [0,2,0,0,0,0|2,0,0]=4 5604 B12R1.7 CSCCOCc1cnc(s1)Cl e8920ed35f5496c5acf842277294e684 [0,2,0,0,0,0|2,0,0]=4 5605 B12R1.7 CSCCOCc1nc(cs1)Br ce51715de4d666bd5b7b80a606bfbd3c [0,2,0,0,0,0|2,0,0]=4 5606 B12R1.7 CSCCOCc1nc(cs1)C bfee62feae5f12b60ad9777e2aa00bde [0,2,0,0,0,0|2,0,0]=4 5607 B12R1.7 CSCCOCc1ncc(s1)Br de73d2b10a711bf8d1427018e7e57ce4 [0,2,0,0,0,0|2,0,0]=4 5608 B12R1.7 CSCCOCc1ncc(s1)C 2450b825f02c9b80a7058d0dcd7012c9 [0,2,0,0,0,0|2,0,0]=4 5609 B12R1.7 CSCCOCc1ncc(s1)Cl 2d4a30d7b0544f59df912f6b7eba7b8f [0,2,0,0,0,0|2,0,0]=4 5610 B12R1.7 CSCNCCc1ccc(o1)C f059b3e4d633237c28819f14810202f7 [0,2,0,0,0,0|1,1,0]=4 5611 B12R1.7 CSCNCCc1ccc(s1)Br f57da63018ef90f44bd1e36eb26f01db [0,2,0,0,0,0|1,0,0]=3 5612 B12R1.7 CSCNCCc1ccc(s1)C a2491d19b2a35744aa119af8fd4afbb2 [0,2,0,0,0,0|1,0,0]=3 5613 B12R1.7 CSCNCCc1nc(cs1)C ec0f0a838850d0823a22c691dac6aa76 [0,2,0,0,0,0|2,0,0]=4 5614 B12R1.7 CSCOCCc1ccc(o1)C b376a9eadf2b3daa3c2340618bebc041 [0,2,0,0,0,0|1,1,0]=4 5615 B12R1.7 CSCOCCc1nc(cs1)Br fbc3a9a7d2851b98ee93bebf77557824 [0,2,0,0,0,0|2,0,0]=4 5616 B12R1.7 CSCOCCc1nc(cs1)C eac517a3820e8d5aa8830ca7900aa018 [0,2,0,0,0,0|2,0,0]=4 5617 B12R1.7 Cc1cc(sn1)CNCCCF df4ec87817a11708186f021fca411fe4 [0,2,0,0,0,0|2,0,0]=4 5618 B12R1.7 Cc1cc(sn1)CNCCCO 5ef7b27389ead07ddf974def76cde753 [0,2,0,0,0,0|2,0,0]=4 5619 B12R1.7 Cc1cc(sn1)CNCCCS 26f31f9faaa3f97641453c0064aa0581 [0,2,0,0,0,0|2,0,0]=4 5620 B12R1.7 Cc1cc(sn1)NCCCCCl d1fda5b262311374fde132ae4b0a179f [0,2,0,0,0,0|2,0,0]=4 5621 B12R1.7 Cc1cc(sn1)NCCCCF b20fe1d5d6068a66aba3ee2e7efce140 [0,2,0,0,0,0|2,0,0]=4 5622 B12R1.7 Cc1cc(sn1)NCCCCO f4e30e77580c26cce49d9188ed646686 [0,2,0,0,0,0|2,0,0]=4 5623 B12R1.7 Cc1cc(sn1)NCCCCS ae52031304e4924e7882e2bd4defcde5 [0,2,0,0,0,0|2,0,0]=4 5624 B12R1.7 Cc1ccc(o1)CCNCCF ee27dfff706adb795e74b7cd66b1dd68 [0,2,0,0,0,0|1,1,0]=4 5625 B12R1.7 Cc1ccc(o1)CCNCCO dfa0ec5d1fe316415604fbe4cb7d8431 [0,2,0,0,0,0|1,1,0]=4 5626 B12R1.7 Cc1ccc(o1)CCNCCS 73dbfbc7185121df6c1aed7a2953df8a [0,2,0,0,0,0|1,1,0]=4 5627 B12R1.7 Cc1ccc(o1)CCOCCF 5e685c6f3d35c3b739c6ca565f952292 [0,2,0,0,0,0|1,1,0]=4 5628 B12R1.7 Cc1ccc(o1)CCOCCS d9361008028743c6ed1595dcfadc2b15 [0,2,0,0,0,0|1,1,0]=4 5629 B12R1.7 Cc1ccc(o1)CNCCCF 564a5616c7c3d5c8d701597811acc480 [0,2,0,0,0,0|1,1,0]=4 5630 B12R1.7 Cc1ccc(o1)CNCCCO 86083e668ba5753688d181003da5c93d [0,2,0,0,0,0|1,1,0]=4 5631 B12R1.7 Cc1ccc(o1)CNCCCS 49e78eab0f81b7c7ba36a56eaa8b7ea9 [0,2,0,0,0,0|1,1,0]=4 5632 B12R1.7 Cc1ccc(o1)COCCCF 882cdac1389adaecd9bca961bdd7804f [0,2,0,0,0,0|1,1,0]=4 5633 B12R1.7 Cc1ccc(o1)COCCCS 27546d1b0b89ed6aa50cd55d8fc5f075 [0,2,0,0,0,0|1,1,0]=4 5634 B12R1.7 Cc1ccc(o1)NCCCCCl 641015c4f0ed3d9c3f1a155ed383d07b [0,2,0,0,0,0|1,1,0]=4 5635 B12R1.7 Cc1ccc(o1)NCCCCO d1a4835d8171e8188f149312353cdf9d [0,2,0,0,0,0|1,1,0]=4 5636 B12R1.7 Cc1ccc(o1)NCCCCS 693a0501b03405aeac9aafbcc26785a9 [0,2,0,0,0,0|1,1,0]=4 5637 B12R1.7 Cc1ccc(s1)CCCNC=O 91fdd94f558d9c94968626b6f472cf12 [0,2,0,0,0,0|1,0,1]=4 5638 B12R1.7 Cc1ccc(s1)CCCNCF ca8c230978403beb2a30dbdf9aca1998 [0,2,0,0,0,0|1,0,0]=3 5639 B12R1.7 Cc1ccc(s1)CCCNCO 9b52ec43b06f45887ad0eefcd51d46e4 [0,2,0,0,0,0|1,0,0]=3 5640 B12R1.7 Cc1ccc(s1)CCNCC#N 01c741daa76cf46ffbe77004d550d174 [0,2,0,0,0,0|1,0,1]=4 5641 B12R1.7 Cc1ccc(s1)CCNCC=O 25828a4d7fe4a47a9b4112a10f74e0c8 [0,2,0,0,0,0|1,0,1]=4 5642 B12R1.7 Cc1ccc(s1)CCNCCF fa6d60b36897ef34c9c1cd3bfc8382b8 [0,2,0,0,0,0|1,0,0]=3 5643 B12R1.7 Cc1ccc(s1)CCNCCO 347f7e28596a4761b15a795207678aeb [0,2,0,0,0,0|1,0,0]=3 5644 B12R1.7 Cc1ccc(s1)CCNCCS 2940c5eb49c9afbe96bbcf89031aa86d [0,2,0,0,0,0|1,0,0]=3 5645 B12R1.7 Cc1ccc(s1)CNCCC#N 7b3be5f975729665c5db375f1568a4f0 [0,2,0,0,0,0|1,0,1]=4 5646 B12R1.7 Cc1ccc(s1)CNCCC=O 5102c591350568fd704b7340957ff81b [0,2,0,0,0,0|1,0,1]=4 5647 B12R1.7 Cc1ccc(s1)CNCCCF 569969dd224c0a6285de9b8f08e165fe [0,2,0,0,0,0|1,0,0]=3 5648 B12R1.7 Cc1ccc(s1)CNCCCO 616bb4619ecef6b22a4133f3d0ff1089 [0,2,0,0,0,0|1,0,0]=3 5649 B12R1.7 Cc1ccc(s1)CNCCCS 78a06e6a8bbc74a0db1b7a58547e7edc [0,2,0,0,0,0|1,0,0]=3 5650 B12R1.7 Cc1ccc(s1)COCCC#N c156ef7e754e687976cf4f0b6db6a273 [0,2,0,0,0,0|1,0,1]=4 5651 B12R1.7 Cc1ccc(s1)COCCC=O 71249ebf94f3a9dd7c828619252d807f [0,2,0,0,0,0|1,0,1]=4 5652 B12R1.7 Cc1ccc(s1)COCCCF 43c2fb591b3c2d6f912000f617ddde72 [0,2,0,0,0,0|1,0,0]=3 5653 B12R1.7 Cc1ccc(s1)COCCCS a0ecfcdee3c9dae1689cc2b013124dad [0,2,0,0,0,0|1,0,0]=3 5654 B12R1.7 Cc1ccc(s1)NCCCC#N 4086308494053658a3a0f2a2f8c6972e [0,2,0,0,0,0|1,0,1]=4 5655 B12R1.7 Cc1ccc(s1)NCCCC=O 554694a6025915f5c10be438ddcb1316 [0,2,0,0,0,0|1,0,1]=4 5656 B12R1.7 Cc1ccc(s1)NCCCCCl 71702e385bd4cd856b62feb9f4f5d5e3 [0,2,0,0,0,0|1,0,0]=3 5657 B12R1.7 Cc1ccc(s1)NCCCCF 05fd8cd9300556c4bedc4f1409bd4d5e [0,2,0,0,0,0|1,0,0]=3 5658 B12R1.7 Cc1ccc(s1)NCCCCO 1551d939fac7a744de2f607c48499a74 [0,2,0,0,0,0|1,0,0]=3 5659 B12R1.7 Cc1ccc(s1)NCCCCS 3dd6449f3c511583fe8c4e14bfb956cc [0,2,0,0,0,0|1,0,0]=3 5660 B12R1.7 Cc1cnc(s1)CNCCCF 2b752bce2ca0554e45e627239b3f954f [0,2,0,0,0,0|2,0,0]=4 5661 B12R1.7 Cc1cnc(s1)CNCCCO ff31cf5864e1cc69a28e65126b8bfde0 [0,2,0,0,0,0|2,0,0]=4 5662 B12R1.7 Cc1cnc(s1)CNCCCS a042c1328e9ee01e598df732d4eab1d4 [0,2,0,0,0,0|2,0,0]=4 5663 B12R1.7 Cc1cnc(s1)COCCCF 2f7a83d92774a00d813f2ad588ef39bc [0,2,0,0,0,0|2,0,0]=4 5664 B12R1.7 Cc1cnc(s1)COCCCS 8707f709cec384a6f13ecf28f6ac716d [0,2,0,0,0,0|2,0,0]=4 5665 B12R1.7 Cc1cnc(s1)NCCCCCl 6b7da0b3790bb0434e8b7c26f91b2f41 [0,2,0,0,0,0|2,0,0]=4 5666 B12R1.7 Cc1cnc(s1)NCCCCF ad7fa5be63e074b3c7c7b21f64797240 [0,2,0,0,0,0|2,0,0]=4 5667 B12R1.7 Cc1cnc(s1)NCCCCO b2fc1fc1a2ffbfe1dd286b794edbf0f5 [0,2,0,0,0,0|2,0,0]=4 5668 B12R1.7 Cc1coc(c1)CNCCCF 35d3aae1a3c2e2ca9c8e376749a78cdd [0,2,0,0,0,0|1,1,0]=4 5669 B12R1.7 Cc1coc(c1)CNCCCO 4ffbd41a9773e54fe07af44ff5444a2d [0,2,0,0,0,0|1,1,0]=4 5670 B12R1.7 Cc1coc(c1)CNCCCS 247c19b7bf1c055ce2d40214f9b0fa42 [0,2,0,0,0,0|1,1,0]=4 5671 B12R1.7 Cc1csc(c1)CNCCC#N 2639436943fdb6f14b41c9e42577cae2 [0,2,0,0,0,0|1,0,1]=4 5672 B12R1.7 Cc1csc(c1)CNCCC=O 238faa1819644feb64a9a805f4174462 [0,2,0,0,0,0|1,0,1]=4 5673 B12R1.7 Cc1csc(c1)CNCCCF 3db9aa51d7d3e474c8dc9763bebe2d66 [0,2,0,0,0,0|1,0,0]=3 5674 B12R1.7 Cc1csc(c1)CNCCCO ce502257e771d73e5c0f379f7f6398f2 [0,2,0,0,0,0|1,0,0]=3 5675 B12R1.7 Cc1csc(c1)CNCCCS ee2476e0a9d508441c143748d6f141c2 [0,2,0,0,0,0|1,0,0]=3 5676 B12R1.7 Cc1csc(c1)COCCC#N 22abae3376ab3b46dc545552108efce9 [0,2,0,0,0,0|1,0,1]=4 5677 B12R1.7 Cc1csc(c1)COCCC=O 458d31552f72efa87d74ebfb828e7553 [0,2,0,0,0,0|1,0,1]=4 5678 B12R1.7 Cc1csc(c1)COCCCF b14624dfb968002cd926cf507fdee22f [0,2,0,0,0,0|1,0,0]=3 5679 B12R1.7 Cc1csc(c1)COCCCS 5868bec0abd364782baf0d269d95a16b [0,2,0,0,0,0|1,0,0]=3 5680 B12R1.7 Cc1csc(c1)OCCCC#N 6567dd9331f14e47c54293a6af3cb572 [0,2,0,0,0,0|1,0,1]=4 5681 B12R1.7 Cc1csc(c1)OCCCC=O b85212d49db6acdc1df08a6e132d1d8a [0,2,0,0,0,0|1,0,1]=4 5682 B12R1.7 Cc1csc(c1)OCCCCF 82a8db5fb7b51cc080a9a4742a58329e [0,2,0,0,0,0|1,0,0]=3 5683 B12R1.7 Cc1csc(n1)CCNCCF b4411b101179cd730a71ba4ae1ca4094 [0,2,0,0,0,0|2,0,0]=4 5684 B12R1.7 Cc1csc(n1)CCNCCO 0311567230ae5d2a47f7d821b1ffde1c [0,2,0,0,0,0|2,0,0]=4 5685 B12R1.7 Cc1csc(n1)CCNCCS 0f5e63bce1c0c0c484ddd5c307fe3758 [0,2,0,0,0,0|2,0,0]=4 5686 B12R1.7 Cc1csc(n1)CCOCCF bcce889587db0304f80eaaf38b15da8d [0,2,0,0,0,0|2,0,0]=4 5687 B12R1.7 Cc1csc(n1)CCOCCS f25fffcad40a10d2790bd20b47b839d1 [0,2,0,0,0,0|2,0,0]=4 5688 B12R1.7 Cc1csc(n1)CNCCCCl e47e3ea728ac4a8753e404b0e749cdc8 [0,2,0,0,0,0|2,0,0]=4 5689 B12R1.7 Cc1csc(n1)CNCCCF 0e69162cde395d9c33cc1d1118cb47bc [0,2,0,0,0,0|2,0,0]=4 5690 B12R1.7 Cc1csc(n1)CNCCCO 632375f27502d76707e3dc25e5358f10 [0,2,0,0,0,0|2,0,0]=4 5691 B12R1.7 Cc1csc(n1)CNCCCS d13195782bc8f24ff3866ae86db0b704 [0,2,0,0,0,0|2,0,0]=4 5692 B12R1.7 Cc1csc(n1)COCCCF f840464b52d7b549ee6d41ea5ce33501 [0,2,0,0,0,0|2,0,0]=4 5693 B12R1.7 Cc1csc(n1)COCCCS 39711122a6ed01e3946f2920a551d101 [0,2,0,0,0,0|2,0,0]=4 5694 B12R1.7 Cc1csc(n1)NCCCCF 99b0ffd94f16500ad1b0477fe7b7fc74 [0,2,0,0,0,0|2,0,0]=4 5695 B12R1.7 Cc1csc(n1)NCCCCO e35e69038504b266a85127193b664869 [0,2,0,0,0,0|2,0,0]=4 5696 B12R1.7 Cc1ncc(s1)CCOCCF a801a6cd5533c6584969542e5d3cf14e [0,2,0,0,0,0|2,0,0]=4 5697 B12R1.7 Cc1ncc(s1)CCOCCS d2c6d96f91080a3b98d1013a23237f77 [0,2,0,0,0,0|2,0,0]=4 5698 B12R1.7 Cc1ncc(s1)CNCCCCl 59ddd0266e04c0f72ead709f3e1671cc [0,2,0,0,0,0|2,0,0]=4 5699 B12R1.7 Cc1ncc(s1)CNCCCF 52020e52a3a73221fb7d8d3a78be4a69 [0,2,0,0,0,0|2,0,0]=4 5700 B12R1.7 Cc1ncc(s1)CNCCCO 9bc59527050317f94610d45e54e610e4 [0,2,0,0,0,0|2,0,0]=4 5701 B12R1.7 Cc1ncc(s1)CNCCCS d8238a5644ec7d5e03771764486a908b [0,2,0,0,0,0|2,0,0]=4 5702 B12R1.7 Cc1ncc(s1)COCCCF ab0f3f7932eae7a57e5ca4da52463ec2 [0,2,0,0,0,0|2,0,0]=4 5703 B12R1.7 Cc1ncc(s1)COCCCS 04f2dfab4ae75ae999f3fb2bc5d81e03 [0,2,0,0,0,0|2,0,0]=4 5704 B12R1.7 Cc1ncc(s1)NCCCCCl 4c48b101d654ab38a6147404a0befebe [0,2,0,0,0,0|2,0,0]=4 5705 B12R1.7 Cc1ncc(s1)NCCCCF c985f8bc5bd754939dd0cbd7afda3b27 [0,2,0,0,0,0|2,0,0]=4 5706 B12R1.7 Cc1ncc(s1)NCCCCO de3ae7d224d57fa0c6de2a19be0a2e79 [0,2,0,0,0,0|2,0,0]=4 5707 B12R1.7 Cc1ncc(s1)NCCCCS 973a6387ebe9acc3c05dadf58ed7226a [0,2,0,0,0,0|2,0,0]=4 5708 B12R1.7 ClCCCNCc1cc(cs1)Br 802b6b0b7bc18280f8385081c84c55a0 [0,2,0,0,0,0|1,0,0]=3 5709 B12R1.7 ClCCCNCc1ccc(s1)Br 84d4584d3a7a3c78dca5153a01be6fee [0,2,0,0,0,0|1,0,0]=3 5710 B12R1.7 ClCCCNCc1ccc(s1)Cl 90bc096f759f3883e1cf24d89cea6712 [0,2,0,0,0,0|1,0,0]=3 5711 B12R1.7 ClCCCNCc1cnc(s1)Br 446e46e2b4469b6aa5126b21bc151bd8 [0,2,0,0,0,0|2,0,0]=4 5712 B12R1.7 ClCCCNCc1cnc(s1)Cl 9fae88ff596b02887efa7e486fa33107 [0,2,0,0,0,0|2,0,0]=4 5713 B12R1.7 ClCCCNCc1nc(cs1)Br 45c77553018d1019f0eb74932b4451e4 [0,2,0,0,0,0|2,0,0]=4 5714 B12R1.7 ClCCCNCc1ncc(s1)Br d0964f0bbadcdda48e9b2e5861de1896 [0,2,0,0,0,0|2,0,0]=4 5715 B12R1.7 ClCCCNCc1ncc(s1)Cl 09242a1602d2dc6f1446a22c3a1c04c6 [0,2,0,0,0,0|2,0,0]=4 5716 B12R1.7 FCCCCNc1ccc(s1)Br 35ec80474ba9d71c2a7dbc3a984ed656 [0,2,0,0,0,0|1,0,0]=3 5717 B12R1.7 FCCCCNc1cnc(s1)Br 89877799c9b632327353428119e3ab8e [0,2,0,0,0,0|2,0,0]=4 5718 B12R1.7 FCCCCNc1cnc(s1)S 2e8c9e2c0359029a6c85af5cb0cd49db [0,2,0,0,0,0|2,0,0]=4 5719 B12R1.7 FCCCCNc1nc(cs1)Br 43896c298ffed7a9f69007e3821400a0 [0,2,0,0,0,0|2,0,0]=4 5720 B12R1.7 FCCCCNc1nc(cs1)Cl 385f24b50a6f78be8a493b2b88018a88 [0,2,0,0,0,0|2,0,0]=4 5721 B12R1.7 FCCCCNc1ncc(s1)Br 024ad2be11dc065e2cbf56674315d13a [0,2,0,0,0,0|2,0,0]=4 5722 B12R1.7 FCCCCNc1ncc(s1)Cl 6255cc027c98633636bc80d4f72edaf6 [0,2,0,0,0,0|2,0,0]=4 5723 B12R1.7 FCCCCNc1ncc(s1)F bf2aa6a53b8156b010c549f379d8d949 [0,2,0,0,0,0|2,0,0]=4 5724 B12R1.7 FCCCCOc1ccc(s1)Br 06e4323a57b9a742f91cdf1860052c69 [0,2,0,0,0,0|1,0,0]=3 5725 B12R1.7 FCCCCOc1nc(cs1)Br fad008be3f87e734542d20d283706149 [0,2,0,0,0,0|2,0,0]=4 5726 B12R1.7 FCCCNCc1cc(c[nH]1)Br 19489ecfac8ab05ea430215c72525f85 [0,2,0,0,0,0|2,0,0]=4 5727 B12R1.7 FCCCNCc1cc(cs1)Br 2d7587d03e106147bb13d8aff3fc783a [0,2,0,0,0,0|1,0,0]=3 5728 B12R1.7 FCCCNCc1cc(cs1)Cl 20a36d9b4133707fd3d70584567c7e44 [0,2,0,0,0,0|1,0,0]=3 5729 B12R1.7 FCCCNCc1cc(ns1)Br 9b0f355dda3f9076f184e3e993d1cecc [0,2,0,0,0,0|2,0,0]=4 5730 B12R1.7 FCCCNCc1ccc(o1)Br 1e24924f7edff6a6ebdc268be441bc2f [0,2,0,0,0,0|1,1,0]=4 5731 B12R1.7 FCCCNCc1ccc(s1)Br 73f70863f82b8dc2952236d274e2913f [0,2,0,0,0,0|1,0,0]=3 5732 B12R1.7 FCCCNCc1ccc(s1)Cl 9a739b5d06929547b53882485cb35fe4 [0,2,0,0,0,0|1,0,0]=3 5733 B12R1.7 FCCCNCc1ccc(s1)F 5be73a7505e12e27881ff8b54187ea3e [0,2,0,0,0,0|1,0,0]=3 5734 B12R1.7 FCCCNCc1cnc(s1)Br 7f8aa41263953afcd1439da25421f315 [0,2,0,0,0,0|2,0,0]=4 5735 B12R1.7 FCCCNCc1cnc(s1)Cl 9cbeebf18929a8b4374ca4122da274b8 [0,2,0,0,0,0|2,0,0]=4 5736 B12R1.7 FCCCNCc1nc(cs1)Br 7bffe7036491089c3e9e18899ffd6b56 [0,2,0,0,0,0|2,0,0]=4 5737 B12R1.7 FCCCNCc1nc(cs1)Cl e48a49b3fc6975fd10d9c2e4a298c24a [0,2,0,0,0,0|2,0,0]=4 5738 B12R1.7 FCCCNCc1ncc(s1)Cl be8b6d1a924f013195dc82318f436fa5 [0,2,0,0,0,0|2,0,0]=4 5739 B12R1.7 FCCCOCc1cc(co1)Br e7c8d330b75f5b6cdd19bf8efff5fa7c [0,2,0,0,0,0|1,1,0]=4 5740 B12R1.7 FCCCOCc1cc(cs1)Br 7bc52ea1bfc52f9172b969435f18838b [0,2,0,0,0,0|1,0,0]=3 5741 B12R1.7 FCCCOCc1cc(cs1)Cl 8c38bdc5461216af02a958c95abfa8e2 [0,2,0,0,0,0|1,0,0]=3 5742 B12R1.7 FCCCOCc1ccc(o1)Br e03b8effde38d39fc02f781486bf5cd3 [0,2,0,0,0,0|1,1,0]=4 5743 B12R1.7 FCCCOCc1ccc(s1)Br baa41694c2c7fbbe8eaa27cf94461542 [0,2,0,0,0,0|1,0,0]=3 5744 B12R1.7 FCCCOCc1ccc(s1)Cl 8123ad1419c887ea3744bc760d752818 [0,2,0,0,0,0|1,0,0]=3 5745 B12R1.7 FCCCOCc1ccc(s1)F f0f1942996580706a35f28bc8bf3b5be [0,2,0,0,0,0|1,0,0]=3 5746 B12R1.7 FCCCOCc1cnc(s1)Br 3ea8970560d475582f09b1c0248cf2b7 [0,2,0,0,0,0|2,0,0]=4 5747 B12R1.7 FCCCOCc1cnc(s1)Cl 4938972e040c3541580f4fb475cab8be [0,2,0,0,0,0|2,0,0]=4 5748 B12R1.7 FCCCOCc1nc(cs1)Br 02814f9a234d1d732e53252112b2cbd0 [0,2,0,0,0,0|2,0,0]=4 5749 B12R1.7 FCCCOCc1ncc(s1)Br 061f1218e3afcab4567d7cf17c003e8d [0,2,0,0,0,0|2,0,0]=4 5750 B12R1.7 FCCCOCc1ncc(s1)Cl c5bdf19431fd553cfd4e2602d9e0a339 [0,2,0,0,0,0|2,0,0]=4 5751 B12R1.7 FCCNCCc1ccc(s1)Br f978a7ac2856807eb03ed04e568cb255 [0,2,0,0,0,0|1,0,0]=3 5752 B12R1.7 FCCOCCc1nc(cs1)Br ba2d50c9f6bd71cd88e6ef0ee39616ec [0,2,0,0,0,0|2,0,0]=4 5753 B12R1.7 Fc1ccc(s1)CNCCCS 6085821ae293b964450b24582974a939 [0,2,0,0,0,0|1,0,0]=3 5754 B12R1.7 Fc1ccc(s1)COCCCS c926f057be213e594d1f22acb907eb06 [0,2,0,0,0,0|1,0,0]=3 5755 B12R1.7 Fc1ccc(s1)NCCCCCl cc4f30ee09adcd92be8f12ba2db4153f [0,2,0,0,0,0|1,0,0]=3 5756 B12R1.7 Fc1ccc(s1)NCCCCS 75b1bdb03bf74fe5358171228cded567 [0,2,0,0,0,0|1,0,0]=3 5757 B12R1.7 N#CCCCNc1ccc(s1)Br 12c9aa4ac62823687d1bd8880545c556 [0,2,0,0,0,0|1,0,1]=4 5758 B12R1.7 N#CCCCNc1ccc(s1)F 2e1993a8074dea72b10a1232051c3fa3 [0,2,0,0,0,0|1,0,1]=4 5759 B12R1.7 N#CCCCOc1ccc(s1)Br 006477ab5cf4530147288744292aa45b [0,2,0,0,0,0|1,0,1]=4 5760 B12R1.7 N#CCCNCc1cc(cs1)Br ff0994f6c71f14f47180e549897f8d47 [0,2,0,0,0,0|1,0,1]=4 5761 B12R1.7 N#CCCNCc1cc(cs1)Cl 05856733b225231c124f2576b2a8855c [0,2,0,0,0,0|1,0,1]=4 5762 B12R1.7 N#CCCNCc1ccc(s1)Br 0c0a417422ffc1e54f56b7d936e43f84 [0,2,0,0,0,0|1,0,1]=4 5763 B12R1.7 N#CCCNCc1ccc(s1)Cl 55effd19d82bd5f55585a015254c367e [0,2,0,0,0,0|1,0,1]=4 5764 B12R1.7 N#CCCNCc1ccc(s1)F e76cde08120d7089f823ac09f2ae3cc3 [0,2,0,0,0,0|1,0,1]=4 5765 B12R1.7 N#CCCOCc1cc(cs1)Br 3e616a2a8312d83b3bedcadb3cbe91f1 [0,2,0,0,0,0|1,0,1]=4 5766 B12R1.7 N#CCCOCc1cc(cs1)Cl 6e32d929445f1188c63c4d6bcb6eb8e2 [0,2,0,0,0,0|1,0,1]=4 5767 B12R1.7 N#CCCOCc1ccc(s1)Br 03c75a7bc451df28c8f218d5ad77ebde [0,2,0,0,0,0|1,0,1]=4 5768 B12R1.7 N#CCCOCc1ccc(s1)Cl beaa6af72d725fcbb7c4f9592f173c71 [0,2,0,0,0,0|1,0,1]=4 5769 B12R1.7 N#CCCOCc1ccc(s1)F 7cb215f49669c31ce9c7c38f828a3dbc [0,2,0,0,0,0|1,0,1]=4 5770 B12R1.7 N#CCNCCc1ccc(s1)Br 4f1a174be73e209961b3fb401b838c5c [0,2,0,0,0,0|1,0,1]=4 5771 B12R1.7 NOCCNCc1cc(cs1)Br a892fce4e1c3a71dd2d3c74a76ecb423 [0,2,0,0,0,0|2,0,0]=4 5772 B12R1.7 NOCCNCc1ccc(s1)Br 6feeaa95ac773623f76e8bbcdb43df84 [0,2,0,0,0,0|2,0,0]=4 5773 B12R1.7 NOCCNCc1ccc(s1)Cl b5cf533856ed41dcbe94d2ed0abfc87f [0,2,0,0,0,0|2,0,0]=4 5774 B12R1.7 Nc1ncc(s1)NCCCCCl 298274049f9e9479b8d5ccd4169ebfa2 [0,2,0,0,0,0|2,0,0]=4 5775 B12R1.7 Nc1ncc(s1)NCCCCO 9f51e36d862c9e97423555528259087d [0,2,0,0,0,0|2,0,0]=4 5776 B12R1.7 Nc1ncc(s1)NCCCCS da88d19c04c9cfed6adc67992c66b3c0 [0,2,0,0,0,0|2,0,0]=4 5777 B12R1.7 O=CCCCNc1ccc(s1)Br d78da07077f64ced622d92a71c2505c1 [0,2,0,0,0,0|1,0,1]=4 5778 B12R1.7 O=CCCCOc1ccc(s1)Br c85a7ca8321d06e1cc0df5205d0b3c9d [0,2,0,0,0,0|1,0,1]=4 5779 B12R1.7 O=CCCNCc1cc(cs1)Br 1820ded21bbbd0f5495c8991c00c8f4a [0,2,0,0,0,0|1,0,1]=4 5780 B12R1.7 O=CCCNCc1cc(cs1)Cl 4ec43ca6f6b3fbbc6c8ed2aba1626500 [0,2,0,0,0,0|1,0,1]=4 5781 B12R1.7 O=CCCNCc1ccc(s1)Br ac567d11e5af24d0a65c30c9945e5117 [0,2,0,0,0,0|1,0,1]=4 5782 B12R1.7 O=CCCNCc1ccc(s1)Cl 05b5e8e92aaf78fc77174b8ef3ff84d5 [0,2,0,0,0,0|1,0,1]=4 5783 B12R1.7 O=CCCNCc1ccc(s1)F 84c3295bcac1d7f28b3acb9cd4dd9f72 [0,2,0,0,0,0|1,0,1]=4 5784 B12R1.7 O=CCCOCc1cc(cs1)Br 142263d99100828626fdf8364e4c9efb [0,2,0,0,0,0|1,0,1]=4 5785 B12R1.7 O=CCCOCc1cc(cs1)Cl 10822bfacc7b4337d3513f033ab54d6d [0,2,0,0,0,0|1,0,1]=4 5786 B12R1.7 O=CCCOCc1ccc(s1)Br fecacaef3e7fd781420fd9e9475c65a2 [0,2,0,0,0,0|1,0,1]=4 5787 B12R1.7 O=CCCOCc1ccc(s1)Cl 9d186aea74e7252dddcd172b8b9d474e [0,2,0,0,0,0|1,0,1]=4 5788 B12R1.7 O=CCCOCc1ccc(s1)F 01850cfcd9dbff4b16ba90d3bff5c360 [0,2,0,0,0,0|1,0,1]=4 5789 B12R1.7 O=CCNCCc1ccc(s1)Br 6888c700b3d7cc4d89db1f27796e3208 [0,2,0,0,0,0|1,0,1]=4 5790 B12R1.7 OCCCCNc1ccc(s1)Br a0d95fd24eb3add60b3689f6515984e5 [0,2,0,0,0,0|1,0,0]=3 5791 B12R1.7 OCCCCNc1ccc(s1)F 34d7e4ea7ff7be919d6ad5f78e905f32 [0,2,0,0,0,0|1,0,0]=3 5792 B12R1.7 OCCCCNc1ccc(s1)O c3ba2d2d7dfdeb93dae1530386525353 [0,2,0,0,0,0|1,0,0]=3 5793 B12R1.7 OCCCCNc1cnc(s1)Br 8cfdb46cecdd8b49f4d611c744496c89 [0,2,0,0,0,0|2,0,0]=4 5794 B12R1.7 OCCCCNc1cnc(s1)S 5a7cfaeae950e6839df267bfa9a02744 [0,2,0,0,0,0|2,0,0]=4 5795 B12R1.7 OCCCCNc1nc(cs1)Br 6e632b6470f8897b14e8bfad81bd0831 [0,2,0,0,0,0|2,0,0]=4 5796 B12R1.7 OCCCCNc1nc(cs1)Cl 17771e9da1a1c3fdb884d6e92d718c34 [0,2,0,0,0,0|2,0,0]=4 5797 B12R1.7 OCCCCNc1ncc(s1)Br 02ba9f3d38dcd9742545710e91b97d46 [0,2,0,0,0,0|2,0,0]=4 5798 B12R1.7 OCCCCNc1ncc(s1)Cl 79110dbef10bc625e8f55d95570c1878 [0,2,0,0,0,0|2,0,0]=4 5799 B12R1.7 OCCCCNc1ncc(s1)F f2d76a48e7263bf9b8ad2a0b907478b1 [0,2,0,0,0,0|2,0,0]=4 5800 B12R1.7 OCCCNCc1cc(c[nH]1)Br 650403d00c2794d83cb6ca0e7747565d [0,2,0,0,0,0|2,0,0]=4 5801 B12R1.7 OCCCNCc1cc(cs1)Br 1420ebc7a028781bb08b7270b99ccd38 [0,2,0,0,0,0|1,0,0]=3 5802 B12R1.7 OCCCNCc1cc(cs1)Cl 687816fe76d03597fd3d0e3d87e3df86 [0,2,0,0,0,0|1,0,0]=3 5803 B12R1.7 OCCCNCc1cc(ns1)Br 81486c78ea0282caccf7fd8d94cae117 [0,2,0,0,0,0|2,0,0]=4 5804 B12R1.7 OCCCNCc1ccc(o1)Br 88501cdc7c64b084bbd176412e7364fe [0,2,0,0,0,0|1,1,0]=4 5805 B12R1.7 OCCCNCc1ccc(s1)Br 72126ac9335099113e3dab638b4ba1f8 [0,2,0,0,0,0|1,0,0]=3 5806 B12R1.7 OCCCNCc1ccc(s1)Cl 69fd52e4a633d1c5eab71763166dd78d [0,2,0,0,0,0|1,0,0]=3 5807 B12R1.7 OCCCNCc1ccc(s1)F 003ecf0fd16363d19207017d373580d2 [0,2,0,0,0,0|1,0,0]=3 5808 B12R1.7 OCCCNCc1cnc(s1)Br b8d5f54010c25794aa346950a2c81f3d [0,2,0,0,0,0|2,0,0]=4 5809 B12R1.7 OCCCNCc1cnc(s1)Cl 72e1d454f1a7e90a1cba8007f3fe16a2 [0,2,0,0,0,0|2,0,0]=4 5810 B12R1.7 OCCCNCc1nc(cs1)Br 1fe0b87e296b2247a508344a61c9b3bd [0,2,0,0,0,0|2,0,0]=4 5811 B12R1.7 OCCCNCc1nc(cs1)Cl 361043587de1c0f3e2ffa3d5dfecf793 [0,2,0,0,0,0|2,0,0]=4 5812 B12R1.7 OCCCNCc1ncc(s1)Br ab983b35540772743d2c31b18707702f [0,2,0,0,0,0|2,0,0]=4 5813 B12R1.7 OCCCNCc1ncc(s1)Cl a6716a1762604ada2f4a3210ad721fa9 [0,2,0,0,0,0|2,0,0]=4 5814 B12R1.7 OCCNCCc1ccc(s1)Br 87995df632f6a68210e8ecab6a315bcf [0,2,0,0,0,0|1,0,0]=3 5815 B12R1.7 Oc1ccc(s1)NCCCCCl 13bab3049910a592da158c10399db2e6 [0,2,0,0,0,0|1,0,0]=3 5816 B12R1.7 Oc1ccc(s1)NCCCCS cb8801d6004be827238b73b7177ab14b [0,2,0,0,0,0|1,0,0]=3 5817 B12R1.7 SCCCNCc1cc(c[nH]1)Br d9c77b1f5f2907ca4bd46a1e750209c2 [0,2,0,0,0,0|2,0,0]=4 5818 B12R1.7 SCCCNCc1cc(cs1)Br 0fea6b31a8cdde5db56ac57eb08ee553 [0,2,0,0,0,0|1,0,0]=3 5819 B12R1.7 SCCCNCc1cc(cs1)Cl 585226e1fb7c05bc39fd046245aa922b [0,2,0,0,0,0|1,0,0]=3 5820 B12R1.7 SCCCNCc1cc(ns1)Br 59a75383696e0f38555a2b66f8010c13 [0,2,0,0,0,0|2,0,0]=4 5821 B12R1.7 SCCCNCc1ccc(o1)Br afed4a4a6a370b5256ae51175a68e0f9 [0,2,0,0,0,0|1,1,0]=4 5822 B12R1.7 SCCCNCc1ccc(s1)Br 23e24934445441c56c921392942eaa2b [0,2,0,0,0,0|1,0,0]=3 5823 B12R1.7 SCCCNCc1ccc(s1)Cl 61f0ce6c7408f22203dba4076faff9a9 [0,2,0,0,0,0|1,0,0]=3 5824 B12R1.7 SCCCNCc1cnc(s1)Br b2d65acdc6700a2b3e9acc15f672aedc [0,2,0,0,0,0|2,0,0]=4 5825 B12R1.7 SCCCNCc1cnc(s1)Cl 2084b32f5b5ba6b36f446ead2003e97d [0,2,0,0,0,0|2,0,0]=4 5826 B12R1.7 SCCCNCc1nc(cs1)Br 86093040148f1f03b9830f134ffeef5a [0,2,0,0,0,0|2,0,0]=4 5827 B12R1.7 SCCCNCc1nc(cs1)Cl 02a21aeab7c0e7ffb43a310dd21b6bfc [0,2,0,0,0,0|2,0,0]=4 5828 B12R1.7 SCCCNCc1ncc(s1)Cl cb66fce30a618e9d0fcb3135ec05fe41 [0,2,0,0,0,0|2,0,0]=4 5829 B12R1.7 SCCCOCc1cc(co1)Br bef161c168a31fafa943097605e8692d [0,2,0,0,0,0|1,1,0]=4 5830 B12R1.7 SCCCOCc1cc(cs1)Br 93e0a5142827eb290aad8a305ef4f96c [0,2,0,0,0,0|1,0,0]=3 5831 B12R1.7 SCCCOCc1cc(cs1)Cl ed46358fffe43acb330ab00a2933a94d [0,2,0,0,0,0|1,0,0]=3 5832 B12R1.7 SCCCOCc1ccc(o1)Br 6f1ee04d9704032e5d88429d2c7d6e1b [0,2,0,0,0,0|1,1,0]=4 5833 B12R1.7 SCCCOCc1ccc(s1)Br 588abd09dbb0d25ba1960708c073b91d [0,2,0,0,0,0|1,0,0]=3 5834 B12R1.7 SCCCOCc1ccc(s1)Cl 2350bb30b3482ccb538e8d8b76fdd006 [0,2,0,0,0,0|1,0,0]=3 5835 B12R1.7 SCCCOCc1cnc(s1)Br dcf08ad2028cf613fbb0a39d3d74ad27 [0,2,0,0,0,0|2,0,0]=4 5836 B12R1.7 SCCCOCc1cnc(s1)Cl 1d5899a3052d67c893d0b86dfca8bae4 [0,2,0,0,0,0|2,0,0]=4 5837 B12R1.7 SCCCOCc1nc(cs1)Br 4ef32930803bf3f87cbeb6a3e0b584cd [0,2,0,0,0,0|2,0,0]=4 5838 B12R1.7 SCCCOCc1ncc(s1)Br d49317f1acf3220638ec0618d552fcd3 [0,2,0,0,0,0|2,0,0]=4 5839 B12R1.7 SCCCOCc1ncc(s1)Cl 124773391a3f99ebca0508c714523629 [0,2,0,0,0,0|2,0,0]=4 5840 B12R1.7 SCCNCCc1ccc(s1)Br cb137c988b757b908093303843b5d7be [0,2,0,0,0,0|1,0,0]=3 5841 B12R1.7 SCCOCCc1nc(cs1)Br 54117e6da08d747b8d0cabe2c10c1fdb [0,2,0,0,0,0|2,0,0]=4 5842 B12R1.35 C#CCCNC(C)c1cccs1 40ee737f1369f5eb6e50ea29f681c4a4 [0,2,0,0,0,0|0,0,2]=4 5843 B12R1.35 C#CCCN[C@@H](C)c1cccs1 ce7f0fcf1d84d7efc3b91c59c53061a1 [0,2,0,0,0,0|0,0,2]=4 5844 B12R1.35 C#CCCN[C@H](C)c1cccs1 c101b9c0479ef512b364edde95704fc9 [0,2,0,0,0,0|0,0,2]=4 5845 B12R1.35 C#CCCOC(C)c1cccs1 89eb797c4acbd09c98a28a3b270982a2 [0,2,0,0,0,0|0,0,2]=4 5846 B12R1.35 C#CCCO[C@@H](C)c1cccs1 72db2256885e7435efe194c1ddb380d5 [0,2,0,0,0,0|0,0,2]=4 5847 B12R1.35 C#CCCO[C@H](C)c1cccs1 500857709ebcc44043e42607d7f076a8 [0,2,0,0,0,0|0,0,2]=4 5848 B12R1.35 C#CCNCC(O)c1cccs1 a959b1fa5fb4245657d6d4498d824c51 [0,2,0,0,0,0|0,0,2]=4 5849 B12R1.35 C/C=C/CNC(C)c1cccs1 f3ea9fb6f7f922bd676d6a9f2f84d4f9 [0,2,0,0,0,0|0,0,2]=4 5850 B12R1.35 C/C=C/CN[C@@H](C)c1cccs1 fa169105fe76e85ed9b8b28459c16dff [0,2,0,0,0,0|0,0,2]=4 5851 B12R1.35 C/C=C/CN[C@H](C)c1cccs1 82574ac059d669e8cc0e847371d0ebe7 [0,2,0,0,0,0|0,0,2]=4 5852 B12R1.35 C/C=C/COC(C)c1cccs1 625345c43433b588d4079b9700005bc1 [0,2,0,0,0,0|0,0,2]=4 5853 B12R1.35 C/C=C/CO[C@@H](C)c1cccs1 c9154c2af7e183db42eb583d45aab9cb [0,2,0,0,0,0|0,0,2]=4 5854 B12R1.35 C/C=C/CO[C@H](C)c1cccs1 220f00eb28fb9fde784ad2b758c434d1 [0,2,0,0,0,0|0,0,2]=4 5855 B12R1.35 C/C=C\CNC(C)c1cccs1 522ea90cdd7e546129e67deff9936689 [0,2,0,0,0,0|0,0,2]=4 5856 B12R1.35 C/C=C\CN[C@@H](C)c1cccs1 762e75cbd406685019e24c03c393ac84 [0,2,0,0,0,0|0,0,2]=4 5857 B12R1.35 C/C=C\CN[C@H](C)c1cccs1 cd8c87db93ce29fb796e0e0864ebe2e5 [0,2,0,0,0,0|0,0,2]=4 5858 B12R1.35 C/C=C\COC(C)c1cccs1 a76cade7ec52c5e33835c587d0fa41d6 [0,2,0,0,0,0|0,0,2]=4 5859 B12R1.35 C/C=C\CO[C@@H](C)c1cccs1 4c8d4bd313ee22a072282a67f6c82398 [0,2,0,0,0,0|0,0,2]=4 5860 B12R1.35 C/C=C\CO[C@H](C)c1cccs1 8c6b20587b7775d919ed559278aa677c [0,2,0,0,0,0|0,0,2]=4 5861 B12R1.35 C=CCCCN(C)c1cccs1 08e44cf245d8f5445151bbf82391174f [0,2,0,0,0,0|0,0,2]=4 5862 B12R1.35 C=CCCNC(C)c1cccs1 2035109effbec42e6a22d80805a71705 [0,2,0,0,0,0|0,0,2]=4 5863 B12R1.35 C=CCCN[C@@H](C)c1cccs1 c34ff906a0a238c9b96fae4e00e4d9e8 [0,2,0,0,0,0|0,0,2]=4 5864 B12R1.35 C=CCCN[C@H](C)c1cccs1 8f4c3c6936b4bf3fc2f110003c715f7f [0,2,0,0,0,0|0,0,2]=4 5865 B12R1.35 C=CCCOC(C)c1cccs1 f9a9cf9fa255b08a84ae91c3ac775d2f [0,2,0,0,0,0|0,0,2]=4 5866 B12R1.35 C=CCCO[C@@H](C)c1cccs1 5d7998ade6e44f3a7d55b04d30f1450b [0,2,0,0,0,0|0,0,2]=4 5867 B12R1.35 C=CCCO[C@H](C)c1cccs1 9cecfba74b112b9bf4de2f30ccab877e [0,2,0,0,0,0|0,0,2]=4 5868 B12R1.35 C=CCNCC(O)c1cccs1 aaeba43fb2419ea49b8ccd1e603bace1 [0,2,0,0,0,0|0,0,2]=4 5869 B12R1.35 CC(NCCC#N)c1cccs1 7770cc19f3072886bebf5afd3c0febaf [0,2,0,0,0,0|1,0,1]=4 5870 B12R1.35 CC(NCCC=O)c1cccs1 5bf9c242a4e6cb54066186b7308e572f [0,2,0,0,0,0|1,0,1]=4 5871 B12R1.35 CC(NCCCF)c1ccco1 4ddb4e472d105323be4dab690bf02540 [0,2,0,0,0,0|1,1,0]=4 5872 B12R1.35 CC(NCCCF)c1cccs1 3b928008316099d4f71bf247a68b42f6 [0,2,0,0,0,0|1,0,0]=3 5873 B12R1.35 CC(NCCCF)c1cncs1 5b7c2e026ac9b06cdf93a8b55b90a43f [0,2,0,0,0,0|2,0,0]=4 5874 B12R1.35 CC(NCCCF)c1nccs1 468b38a8f6d904bcedf97045fe8b56d6 [0,2,0,0,0,0|2,0,0]=4 5875 B12R1.35 CC(NCCCO)c1ccco1 cfecb952e7d95dba4fc7c4aab7fc2c74 [0,2,0,0,0,0|1,1,0]=4 5876 B12R1.35 CC(NCCCO)c1cccs1 bc26316cef862758ee5797f15e619b16 [0,2,0,0,0,0|1,0,0]=3 5877 B12R1.35 CC(NCCCO)c1cncs1 bbd41163466f85e586e0d1b7ad6557b9 [0,2,0,0,0,0|2,0,0]=4 5878 B12R1.35 CC(NCCCO)c1nccs1 b7723b06eedb4dbd859298ae7f53cfa9 [0,2,0,0,0,0|2,0,0]=4 5879 B12R1.35 CC(NCCCS)c1ccco1 f39c909b6e0edd62c06237ad1d87c56c [0,2,0,0,0,0|1,1,0]=4 5880 B12R1.35 CC(NCCCS)c1cccs1 5a7f7c185d64c96150eb85b16f192054 [0,2,0,0,0,0|1,0,0]=3 5881 B12R1.35 CC(NCCCS)c1cncs1 770ec687f06ff7a2205d7c9edbc29ff2 [0,2,0,0,0,0|2,0,0]=4 5882 B12R1.35 CC(NCCCS)c1nccs1 d9d8e5564a4f4b2ffba248f29a696772 [0,2,0,0,0,0|2,0,0]=4 5883 B12R1.35 CC(OCCC#N)c1cccs1 ba2994744417086b18c4f0205b29b214 [0,2,0,0,0,0|1,0,1]=4 5884 B12R1.35 CC(OCCC=O)c1cccs1 8e95082660f1fb90cc50db223db86407 [0,2,0,0,0,0|1,0,1]=4 5885 B12R1.35 CC(OCCCF)c1ccco1 6684b51580516c6771a7a21bcd0ef135 [0,2,0,0,0,0|1,1,0]=4 5886 B12R1.35 CC(OCCCF)c1cccs1 f67bec0c404a7e827c22ba71ee69c357 [0,2,0,0,0,0|1,0,0]=3 5887 B12R1.35 CC(OCCCF)c1cncs1 d9486780477dfc9925942b274bbcd2b8 [0,2,0,0,0,0|2,0,0]=4 5888 B12R1.35 CC(OCCCF)c1nccs1 724f2627962fd42d2a37ec3097e29e93 [0,2,0,0,0,0|2,0,0]=4 5889 B12R1.35 CC(OCCCS)c1cccs1 f4da814eedc9baf74272709d8f5f6d55 [0,2,0,0,0,0|1,0,0]=3 5890 B12R1.35 CC(OCCCS)c1cncs1 417677d88def939601b34dc0bb321ff2 [0,2,0,0,0,0|2,0,0]=4 5891 B12R1.35 CC(OCCCS)c1nccs1 30e60cf000e4696b38b854f5248ea623 [0,2,0,0,0,0|2,0,0]=4 5892 B12R1.35 CCCCCN(C)c1cc[nH]n1 ef9490ce4830550c0d7dd0149b8b8c20 [0,2,0,0,0,0|2,0,0]=4 5893 B12R1.35 CCCCCN(C)c1ccon1 541aedcaddb4960b6c05610e960fbfcd [0,2,0,0,0,0|2,0,0]=4 5894 B12R1.35 CCCCCN(C)c1ccsc1 3f1dc8c519e78eade0794b6b06ea436f [0,2,0,0,0,0|2,0,0]=4 5895 B12R1.35 CCCCCN(C)c1ncc[nH]1 61cce05beda132ed1c7734547dfd1eb9 [0,2,0,0,0,0|2,0,0]=4 5896 B12R1.35 CCCCCN(C)c1ncco1 cdda9c128a779ddbd24c6779a12da3f8 [0,2,0,0,0,0|1,1,0]=4 5897 B12R1.35 CCCCCN(C)c1nccs1 15da751288c0fb38edc1e38e52e26745 [0,2,0,0,0,0|1,0,0]=3 5898 B12R1.35 CCCCNC(=O)c1ccco1 65cf84a005a8f3d7f73aa434d4a30611 [0,2,0,0,0,0|0,1,1]=4 5899 B12R1.35 CCCCNC(=O)c1cccs1 c862d5aaaebdbe3c2c9bb74e709185b8 [0,2,0,0,0,0|0,0,1]=3 5900 B12R1.35 CCCCNC(=O)c1ccns1 01e64d9d28123d1993e62fc4ce2f0bab [0,2,0,0,0,0|1,0,1]=4 5901 B12R1.35 CCCCNC(=O)c1cncs1 b2789d1219d3620ddddf3bac84d5d60c [0,2,0,0,0,0|1,0,1]=4 5902 B12R1.35 CCCCNC(=O)c1nccs1 6021569b0303c5056da3294415ea56ff [0,2,0,0,0,0|1,0,1]=4 5903 B12R1.35 CCCCNC(C)c1cc[nH]n1 64190372ddc9c2d17903ac2e76d7aee5 [0,2,0,0,0,0|2,0,0]=4 5904 B12R1.35 CCCCNC(C)c1ccco1 5fa17c0d8862cc5174ea0b902da1b422 [0,2,0,0,0,0|0,1,0]=3 5905 B12R1.35 CCCCNC(C)c1cccs1 5fcd0424c4d5a4015b62609832f44aee [0,2,0,0,0,0|0,0,0]=2 5906 B12R1.35 CCCCNC(C)c1ccoc1 07c784c12fbc30ad37f1be2d98f335e6 [0,2,0,0,0,0|2,0,0]=4 5907 B12R1.35 CCCCNC(C)c1ccon1 826e7179c0819258bbd2203ba6af7a35 [0,2,0,0,0,0|2,0,0]=4 5908 B12R1.35 CCCCNC(C)c1ccsc1 9d1b7a74ed7c1e2b3cf1b41a46881988 [0,2,0,0,0,0|2,0,0]=4 5909 B12R1.35 CCCCNC(C)c1cncs1 32dd63824d83f14fbac075fc033c970b [0,2,0,0,0,0|1,0,0]=3 5910 B12R1.35 CCCCNC(C)c1cscn1 f9fbed874449e3c2826ab67d993e7016 [0,2,0,0,0,0|2,0,0]=4 5911 B12R1.35 CCCCNC(C)c1ncco1 3beb66a2a16c39423ecb1eed9335e795 [0,2,0,0,0,0|1,1,0]=4 5912 B12R1.35 CCCCNC(C)c1nccs1 0e45b2e8887dad8f0c3eaff4ba95764a [0,2,0,0,0,0|1,0,0]=3 5913 B12R1.35 CCCCN[C@@H](C)c1cccs1 d03dea8602c5e7697a582754c07de3d9 [0,2,0,0,0,0|0,0,0]=2 5914 B12R1.35 CCCCN[C@@H](C)c1ccoc1 524096e8297f63374d4bd8b88b391612 [0,2,0,0,0,0|2,0,0]=4 5915 B12R1.35 CCCCN[C@@H](C)c1ccsc1 45f07e6dc627155d1ac991c42c4b9b09 [0,2,0,0,0,0|2,0,0]=4 5916 B12R1.35 CCCCN[C@@H](C)c1cncs1 1f6d164011031b713940b84fb60df8cc [0,2,0,0,0,0|1,0,0]=3 5917 B12R1.35 CCCCN[C@@H](C)c1nccs1 71b3366e2433041a46861d6131c1bd3c [0,2,0,0,0,0|1,0,0]=3 5918 B12R1.35 CCCCN[C@H](C)c1ccco1 e72b348acd08587bf11f5b08b6438b09 [0,2,0,0,0,0|0,1,0]=3 5919 B12R1.35 CCCCN[C@H](C)c1cccs1 9755ab7eb4d083afc8ccc56a6dde31b0 [0,2,0,0,0,0|0,0,0]=2 5920 B12R1.35 CCCCOC(C)c1cc[nH]n1 e3f43845a8a6dc56ac58b1e601058e79 [0,2,0,0,0,0|2,0,0]=4 5921 B12R1.35 CCCCOC(C)c1ccco1 fe8f0e28181437956db0721b05737b54 [0,2,0,0,0,0|0,1,0]=3 5922 B12R1.35 CCCCOC(C)c1cccs1 cc7f87865181212a4986a324ee20dfba [0,2,0,0,0,0|0,0,0]=2 5923 B12R1.35 CCCCOC(C)c1ccoc1 7d4daca4d706e976732e042427b6b153 [0,2,0,0,0,0|2,0,0]=4 5924 B12R1.35 CCCCOC(C)c1ccsc1 09a64a42742bb5b16b7092a305dd641e [0,2,0,0,0,0|2,0,0]=4 5925 B12R1.35 CCCCOC(C)c1cncs1 6ea8eb7f185cad49cc366983e94cae5d [0,2,0,0,0,0|1,0,0]=3 5926 B12R1.35 CCCCOC(C)c1ncc[nH]1 f875d5b77ebe7e069f0992776245316b [0,2,0,0,0,0|2,0,0]=4 5927 B12R1.35 CCCCOC(C)c1ncco1 ba6e8a5928d4b05b679144387b3b237d [0,2,0,0,0,0|1,1,0]=4 5928 B12R1.35 CCCCOC(C)c1nccs1 d07502e6823d313b4692ac22fd2f0ff5 [0,2,0,0,0,0|1,0,0]=3 5929 B12R1.35 CCCCO[C@@H](C)c1cccs1 ceddb9f24b838e434a2e14ab7c652f59 [0,2,0,0,0,0|0,0,0]=2 5930 B12R1.35 CCCCO[C@@H](C)c1nccs1 0d58c23887f21a6affd7f2c859977f82 [0,2,0,0,0,0|1,0,0]=3 5931 B12R1.35 CCCCO[C@H](C)c1ccco1 c8f73cb3192dc92625d4a38db87a2194 [0,2,0,0,0,0|0,1,0]=3 5932 B12R1.35 CCCCO[C@H](C)c1cccs1 dd6f69a02b8f60501bf7a6d008e83891 [0,2,0,0,0,0|0,0,0]=2 5933 B12R1.35 CCCCO[C@H](C)c1nccs1 30534460d352bbbabec86f1f23cce232 [0,2,0,0,0,0|1,0,0]=3 5934 B12R1.35 CCCNCC(=O)c1ccc[nH]1 b45c80b5745ab22b13e155d1ca00670c [0,2,0,0,0,0|1,0,1]=4 5935 B12R1.35 CCCNCC(=O)c1ccco1 52e5a58dc04027848e4346689b25e2f7 [0,2,0,0,0,0|0,1,1]=4 5936 B12R1.35 CCCNCC(=O)c1cccs1 c1b3d4b90186ca5a56266465c790ba7d [0,2,0,0,0,0|0,0,1]=3 5937 B12R1.35 CCCNCC(=O)c1nccs1 9afaa5ef76bb7b07d99802233adbf2e1 [0,2,0,0,0,0|1,0,1]=4 5938 B12R1.35 CCCNCC(C)n1cccn1 41908e6c7014cd8f61c0a43a9ac4a502 [0,2,0,0,0,0|2,0,0]=4 5939 B12R1.35 CCCNCC(O)c1ccco1 7366d63705288cdd55be06286e0b45ac [0,2,0,0,0,0|0,1,0]=3 5940 B12R1.35 CCCNCC(O)c1cccs1 37491094fe09bd6c95ff82e5a0373971 [0,2,0,0,0,0|0,0,0]=2 5941 B12R1.35 CCCOCC(=O)c1ccco1 2663e8a78cc2c66d8f0bef1c516df59c [0,2,0,0,0,0|0,1,1]=4 5942 B12R1.35 CCCOCC(=O)c1cccs1 f6a57f7b2db711e8ca5e47686ecb3eb9 [0,2,0,0,0,0|0,0,1]=3 5943 B12R1.35 CCCOCC(=O)c1nccs1 358c5f6fa062a7dc07cfcd5a6b4755aa [0,2,0,0,0,0|1,0,1]=4 5944 B12R1.35 CCCOCC(C)n1cccn1 f233122af904e9155d47a01c36439345 [0,2,0,0,0,0|2,0,0]=4 5945 B12R1.35 CCOCCC(C)n1cccn1 74dfa38e769881063fcae5f6ff793aa9 [0,2,0,0,0,0|2,0,0]=4 5946 B12R1.35 CCOCCN(C)c1ccns1 80ca973fce71bf5b9d56b468709545e6 [0,2,0,0,0,0|2,0,0]=4 5947 B12R1.35 CCOCCN(C)c1nccs1 2159528b9d8dae05c232ac6f1451fd0e [0,2,0,0,0,0|2,0,0]=4 5948 B12R1.35 CCOCNC(C)c1ccco1 5205984ccf94a1288b55fac17657559e [0,2,0,0,0,0|1,1,0]=4 5949 B12R1.35 CCOCNC(C)c1nccs1 9dde369b5a779f69f30f2352e225019f [0,2,0,0,0,0|2,0,0]=4 5950 B12R1.35 CCOCN[C@@H](C)c1nccs1 0041786dccd7b44a969417faee3eeaa9 [0,2,0,0,0,0|2,0,0]=4 5951 B12R1.35 CCOCN[C@H](C)c1ccco1 e7fb9ced2cd9c811d07f6d66edf2d16a [0,2,0,0,0,0|1,1,0]=4 5952 B12R1.35 CCOCOC(C)c1cccs1 1a30efa9c49db49c6ff1dae10ee0ffb9 [0,2,0,0,0,0|1,0,0]=3 5953 B12R1.35 CCOCOC(C)c1nccs1 5bfd54281336a648c4f479354a04dad9 [0,2,0,0,0,0|2,0,0]=4 5954 B12R1.35 CCOCO[C@@H](C)c1cccs1 ddeeff6e9c19716f3abf29755eec693e [0,2,0,0,0,0|1,0,0]=3 5955 B12R1.35 CCOCO[C@@H](C)c1nccs1 580a18b3ffe626c01230ddaa987488fa [0,2,0,0,0,0|2,0,0]=4 5956 B12R1.35 CCOCO[C@H](C)c1cccs1 716f354485260dd30787c34a04ac6569 [0,2,0,0,0,0|1,0,0]=3 5957 B12R1.35 CCOCO[C@H](C)c1nccs1 d9d0b9944855873e54979dae6b06eada [0,2,0,0,0,0|2,0,0]=4 5958 B12R1.35 CCSCCN(C)c1nccs1 91d267ca2511bc298509436323e9f44c [0,2,0,0,0,0|2,0,0]=4 5959 B12R1.35 CN(CCCCF)c1nccs1 e9b7f866bf969abdacf6c36a358195f1 [0,2,0,0,0,0|2,0,0]=4 5960 B12R1.35 CN(CCCCO)c1cccs1 7a2265143718ced9945d1757c70b987d [0,2,0,0,0,0|1,0,0]=3 5961 B12R1.35 CN(CCCCO)c1ccns1 a29f41c23bcfb791f8eda9bad4e02361 [0,2,0,0,0,0|2,0,0]=4 5962 B12R1.35 CN(CCCCO)c1nccs1 6cb02028c56fe795a665deb20bd28d7c [0,2,0,0,0,0|2,0,0]=4 5963 B12R1.35 COCCCN(C)c1cccs1 f0a44848953d16f4ea37ab8b39009fe8 [0,2,0,0,0,0|1,0,0]=3 5964 B12R1.35 COCCCN(C)c1ccns1 1b2552cbcc4c3d9e81fea22c56854f58 [0,2,0,0,0,0|2,0,0]=4 5965 B12R1.35 COCCCN(C)c1nccs1 4e2d3aaf646fcf668be15a704ba9f9f5 [0,2,0,0,0,0|2,0,0]=4 5966 B12R1.35 COCCNC(=O)c1cccs1 7d76769a5daa0cc50ddead860daa247b [0,2,0,0,0,0|1,0,1]=4 5967 B12R1.35 COCCNC(C)c1ccco1 7000ea5d2b4446b5f6ba8ff7c5ebc35f [0,2,0,0,0,0|1,1,0]=4 5968 B12R1.35 COCCNC(C)c1cccs1 69584d25e7b5e190e5b467e583c0f290 [0,2,0,0,0,0|1,0,0]=3 5969 B12R1.35 COCCNC(C)c1cncs1 9eaf2773e0b145f30f9f6cda41c5b39a [0,2,0,0,0,0|2,0,0]=4 5970 B12R1.35 COCCNC(C)c1nccs1 30cd454db12a8649a787c91076f23d11 [0,2,0,0,0,0|2,0,0]=4 5971 B12R1.35 COCCN[C@@H](C)c1cccs1 b414141acb2904cff3b14c1e9c26a70d [0,2,0,0,0,0|1,0,0]=3 5972 B12R1.35 COCCN[C@@H](C)c1cncs1 df0f895afa7df3c417e2fa7b42c6e21c [0,2,0,0,0,0|2,0,0]=4 5973 B12R1.35 COCCN[C@@H](C)c1nccs1 8b629fb0d2a3c6a8fcf41579c825e7f4 [0,2,0,0,0,0|2,0,0]=4 5974 B12R1.35 COCCN[C@H](C)c1ccco1 672406f63ade7c702bd7f3066a9ba8c2 [0,2,0,0,0,0|1,1,0]=4 5975 B12R1.35 COCCN[C@H](C)c1cccs1 8e0146a337c204356baf87916a6de51d [0,2,0,0,0,0|1,0,0]=3 5976 B12R1.35 COCCOC(C)c1ccco1 75dbd55770d9e4f9ae51538b4aecb097 [0,2,0,0,0,0|1,1,0]=4 5977 B12R1.35 COCCOC(C)c1cccs1 dce11750fe274ef91cd699dee933b692 [0,2,0,0,0,0|1,0,0]=3 5978 B12R1.35 COCCOC(C)c1cncs1 1324e2fde646ce3088405eda9e0a93f8 [0,2,0,0,0,0|2,0,0]=4 5979 B12R1.35 COCCOC(C)c1nccs1 6e8cc1feeac735ec229ea0b8d4eee7a2 [0,2,0,0,0,0|2,0,0]=4 5980 B12R1.35 COCCO[C@@H](C)c1cccs1 5ff9ecff76ac7fb561bd4db21bdcde0c [0,2,0,0,0,0|1,0,0]=3 5981 B12R1.35 COCCO[C@@H](C)c1nccs1 6fbf9139648522f8265e471c1cd380a0 [0,2,0,0,0,0|2,0,0]=4 5982 B12R1.35 COCCO[C@H](C)c1ccco1 48b47ddbca8aa3fe9607d6d21b2af301 [0,2,0,0,0,0|1,1,0]=4 5983 B12R1.35 COCCO[C@H](C)c1cccs1 403960083c04604b2a629f51ea137b4e [0,2,0,0,0,0|1,0,0]=3 5984 B12R1.35 COCCO[C@H](C)c1nccs1 9b16e03b462943c70d0c13aec45b1c68 [0,2,0,0,0,0|2,0,0]=4 5985 B12R1.35 COCNCC(O)c1ccco1 42dd71073c9113d0d3255f385a07ee73 [0,2,0,0,0,0|1,1,0]=4 5986 B12R1.35 COCNCC(O)c1cccs1 a7bc3a8ee7d05916a7be51f722490d45 [0,2,0,0,0,0|1,0,0]=3 5987 B12R1.35 COCOCC(=O)c1cccs1 794506d81521683c42c25c12db992171 [0,2,0,0,0,0|1,0,1]=4 5988 B12R1.35 CSCCCN(C)c1nccs1 dc5e5dbf277f8bf49d8e998a75a226e9 [0,2,0,0,0,0|2,0,0]=4 5989 B12R1.35 CSCCNC(=O)c1cccs1 d7c7c6461dc356a9e5958adf7742c549 [0,2,0,0,0,0|1,0,1]=4 5990 B12R1.35 CSCCNC(C)c1ccco1 4b5626a66c7fd216d2003e30ca72d214 [0,2,0,0,0,0|1,1,0]=4 5991 B12R1.35 CSCCNC(C)c1cccs1 c551ff95a457d9d8c0ea4538ebe3a38f [0,2,0,0,0,0|1,0,0]=3 5992 B12R1.35 CSCCNC(C)c1cncs1 ffa0bf6453b8d16b8f83cc77da2c0850 [0,2,0,0,0,0|2,0,0]=4 5993 B12R1.35 CSCCNC(C)c1nccs1 d530e7e01b34fe1971dff17295973255 [0,2,0,0,0,0|2,0,0]=4 5994 B12R1.35 CSCCN[C@@H](C)c1cccs1 3df4fca7f01292a2905f386ecb7173f2 [0,2,0,0,0,0|1,0,0]=3 5995 B12R1.35 CSCCN[C@@H](C)c1cncs1 fae2fc9708da8b65377b7515c9bf4662 [0,2,0,0,0,0|2,0,0]=4 5996 B12R1.35 CSCCN[C@@H](C)c1nccs1 9e63738e2987e208aebbda013b53496a [0,2,0,0,0,0|2,0,0]=4 5997 B12R1.35 CSCCN[C@H](C)c1ccco1 d844b7a7ab28ef410e5d80f1263fa14d [0,2,0,0,0,0|1,1,0]=4 5998 B12R1.35 CSCCN[C@H](C)c1cccs1 e8d42a2b48ba7f5ed540b9c486e57164 [0,2,0,0,0,0|1,0,0]=3 5999 B12R1.35 CSCCOC(C)c1ccco1 94418dc2f0fdb95362691abf99918cc6 [0,2,0,0,0,0|1,1,0]=4 6000 B12R1.35 CSCCOC(C)c1cccs1 1bf5ec81cd1343ab8e49767d31518326 [0,2,0,0,0,0|1,0,0]=3 6001 B12R1.35 CSCCOC(C)c1cncs1 2c50956ad9f583f79ad5fb17f257c41f [0,2,0,0,0,0|2,0,0]=4 6002 B12R1.35 CSCCOC(C)c1nccs1 b298abe589a68a9243bbddafad37337b [0,2,0,0,0,0|2,0,0]=4 6003 B12R1.35 CSCCO[C@@H](C)c1cccs1 714c4c64edb42b22c756f26f944c372c [0,2,0,0,0,0|1,0,0]=3 6004 B12R1.35 CSCCO[C@@H](C)c1nccs1 10d11fd2c1fce8614022c9d433e50865 [0,2,0,0,0,0|2,0,0]=4 6005 B12R1.35 CSCCO[C@H](C)c1ccco1 c4513f119488c2d2c41a2da6e031c5e7 [0,2,0,0,0,0|1,1,0]=4 6006 B12R1.35 CSCCO[C@H](C)c1cccs1 d7ddf03e0649df62a3c006242dcd2ed6 [0,2,0,0,0,0|1,0,0]=3 6007 B12R1.35 CSCCO[C@H](C)c1nccs1 23c46ab60e8b2db3894d5928b6a0ec68 [0,2,0,0,0,0|2,0,0]=4 6008 B12R1.35 CSCNCC(O)c1ccco1 89d5590380d9d4b065787cafacf595e1 [0,2,0,0,0,0|1,1,0]=4 6009 B12R1.35 CSCNCC(O)c1cccs1 0bbe21708d7bf1352ecf589e4998d407 [0,2,0,0,0,0|1,0,0]=3 6010 B12R1.35 C[C@@H](NCCC#N)c1cccs1 9fff4c583d2532fffdd0db3da32c8a4e [0,2,0,0,0,0|1,0,1]=4 6011 B12R1.35 C[C@@H](NCCC=O)c1cccs1 311fe719a35a172cf6ea692582dbdc25 [0,2,0,0,0,0|1,0,1]=4 6012 B12R1.35 C[C@@H](NCCCF)c1ccco1 846fdade5e1ccb98c92a5c9a41bb0a5f [0,2,0,0,0,0|1,1,0]=4 6013 B12R1.35 C[C@@H](NCCCF)c1cccs1 f0da7afc77c83259636318b833707667 [0,2,0,0,0,0|1,0,0]=3 6014 B12R1.35 C[C@@H](NCCCO)c1ccco1 436075ccd49060c0dd6ff88d14820f8d [0,2,0,0,0,0|1,1,0]=4 6015 B12R1.35 C[C@@H](NCCCO)c1cccs1 f9e71981f8101027cae33bf3cc011572 [0,2,0,0,0,0|1,0,0]=3 6016 B12R1.35 C[C@@H](NCCCS)c1ccco1 75a224985230f4d8428519202e72641e [0,2,0,0,0,0|1,1,0]=4 6017 B12R1.35 C[C@@H](NCCCS)c1cccs1 8355cc851ca5b4d5825c2b1524def1c0 [0,2,0,0,0,0|1,0,0]=3 6018 B12R1.35 C[C@@H](OCCC#N)c1cccs1 39fc5bf0d98b7434967589c384722a74 [0,2,0,0,0,0|1,0,1]=4 6019 B12R1.35 C[C@@H](OCCC=O)c1cccs1 3dbea699d69f8b856103fb4a73a81f98 [0,2,0,0,0,0|1,0,1]=4 6020 B12R1.35 C[C@@H](OCCCF)c1ccco1 24cbb7e409d407fe9e5058b77b5c1dd8 [0,2,0,0,0,0|1,1,0]=4 6021 B12R1.35 C[C@@H](OCCCF)c1cccs1 fbda4b5db8fac53b5d37d2cc0a1f7d7a [0,2,0,0,0,0|1,0,0]=3 6022 B12R1.35 C[C@@H](OCCCF)c1nccs1 6072250428f32294582d948dd62cd172 [0,2,0,0,0,0|2,0,0]=4 6023 B12R1.35 C[C@@H](OCCCS)c1cccs1 555d3a5e39d0f64568f9ea26874a8048 [0,2,0,0,0,0|1,0,0]=3 6024 B12R1.35 C[C@@H](OCCCS)c1nccs1 d39fbd3560a032a9e5ad6dece1e14256 [0,2,0,0,0,0|2,0,0]=4 6025 B12R1.35 C[C@H](NCCC#N)c1cccs1 6df67f2ebf35914ff11e40bd62fd58ad [0,2,0,0,0,0|1,0,1]=4 6026 B12R1.35 C[C@H](NCCC=O)c1cccs1 067de5795e43f38bce186ac703163a27 [0,2,0,0,0,0|1,0,1]=4 6027 B12R1.35 C[C@H](NCCCF)c1cccs1 bca820facfe94788a8bc1e62d1855a93 [0,2,0,0,0,0|1,0,0]=3 6028 B12R1.35 C[C@H](NCCCF)c1cncs1 9265248c7700935b16a8cfd836307629 [0,2,0,0,0,0|2,0,0]=4 6029 B12R1.35 C[C@H](NCCCF)c1nccs1 529cb26ac03908431f90e1a9d41bf24c [0,2,0,0,0,0|2,0,0]=4 6030 B12R1.35 C[C@H](NCCCO)c1cccs1 081f7d4bce186b655eb519d5f9126135 [0,2,0,0,0,0|1,0,0]=3 6031 B12R1.35 C[C@H](NCCCO)c1cncs1 66c1a2f6d8250dd066b5da7f7d2bbeb0 [0,2,0,0,0,0|2,0,0]=4 6032 B12R1.35 C[C@H](NCCCO)c1nccs1 baf8808ddd76f8744707b34a669e42d5 [0,2,0,0,0,0|2,0,0]=4 6033 B12R1.35 C[C@H](NCCCS)c1cccs1 85ba1daf1a660eefcfb8347a7c8b497b [0,2,0,0,0,0|1,0,0]=3 6034 B12R1.35 C[C@H](NCCCS)c1cncs1 7ef947f769e6e8dcb7c9391e8d28b6e2 [0,2,0,0,0,0|2,0,0]=4 6035 B12R1.35 C[C@H](NCCCS)c1nccs1 9420f5e55e284e28a11e367188f40ef0 [0,2,0,0,0,0|2,0,0]=4 6036 B12R1.35 C[C@H](OCCC#N)c1cccs1 5bc771ea4af472fcb9bebcffd1a30fc6 [0,2,0,0,0,0|1,0,1]=4 6037 B12R1.35 C[C@H](OCCC=O)c1cccs1 a4e9885e460a1c18559be4e0c690403d [0,2,0,0,0,0|1,0,1]=4 6038 B12R1.35 C[C@H](OCCCF)c1cccs1 0ee53392edd8ea234a9561d6a8879bb5 [0,2,0,0,0,0|1,0,0]=3 6039 B12R1.35 C[C@H](OCCCF)c1nccs1 be751ddb9b80952a6343538e95837cd9 [0,2,0,0,0,0|2,0,0]=4 6040 B12R1.35 C[C@H](OCCCS)c1cccs1 43ebc80cceef26ec26282a71a4c37704 [0,2,0,0,0,0|1,0,0]=3 6041 B12R1.35 C[C@H](OCCCS)c1nccs1 d60220ea8e553b846ce4ffd34226cd41 [0,2,0,0,0,0|2,0,0]=4 6042 B12R1.35 N#CCNCC(O)c1cccs1 bba4d3bcc422d96c3d657e6b56027938 [0,2,0,0,0,0|1,0,1]=4 6043 B12R1.35 N#CNCCC(O)c1cccs1 92fdd94fdf25e2051179ea4c04e9d9cd [0,2,0,0,0,0|1,0,1]=4 6044 B12R1.35 O=C(CNCCBr)c1cccs1 5a15e4ca3e408c72245327c408588d6b [0,2,0,0,0,0|1,0,1]=4 6045 B12R1.35 O=C(CNCCF)c1cccs1 f8643ac39a51a7092610a184e7c361d6 [0,2,0,0,0,0|1,0,1]=4 6046 B12R1.35 O=C(CNCCI)c1cccs1 7d43785f1f10a2fda0097e2fcdbf6e6c [0,2,0,0,0,0|1,0,1]=4 6047 B12R1.35 O=C(CNCCO)c1cccs1 d8934e8c14b1f044b19a79eccde62c24 [0,2,0,0,0,0|1,0,1]=4 6048 B12R1.35 O=C(CNCCS)c1cccs1 850fdd7037e2da77c9f877ba2cbdc7a9 [0,2,0,0,0,0|1,0,1]=4 6049 B12R1.35 O=C(COCCF)c1cccs1 6f45c6e7c1324c6b36b387a33eaa608c [0,2,0,0,0,0|1,0,1]=4 6050 B12R1.35 O=C(COCCS)c1cccs1 0d6a4a041f6506ec8271b93853b31b90 [0,2,0,0,0,0|1,0,1]=4 6051 B12R1.35 O=C(NCCCCl)c1cccs1 5a44972a3292e4b9eb8047d915c512fd [0,2,0,0,0,0|1,0,1]=4 6052 B12R1.35 O=C(NCCCO)c1cccs1 bf45c272e31b29fc7f8036f0cadbbfd1 [0,2,0,0,0,0|1,0,1]=4 6053 B12R1.35 O=CCNCC(O)c1cccs1 438557773fc1c2e845fff3328485291d [0,2,0,0,0,0|1,0,1]=4 6054 B12R1.35 OC(CNCCF)c1ccco1 7bdb4c173e9dcf40b242633ff1195604 [0,2,0,0,0,0|1,1,0]=4 6055 B12R1.35 OC(CNCCF)c1cccs1 be164fe872e8abfe68fe478c527b8e1a [0,2,0,0,0,0|1,0,0]=3 6056 B12R1.35 OC(CNCCS)c1ccco1 68f0b5be7b21df61ce7995f02c88b011 [0,2,0,0,0,0|1,1,0]=4 6057 B12R1.35 OC(CNCCS)c1cccs1 2e72235500f87c45ba952c7b6dbe8d2a [0,2,0,0,0,0|1,0,0]=3 6058 B12R1.35 OCCNCC(O)c1ccco1 d00a7ef2dd56d9269c2f5bd6d3ede4fb [0,2,0,0,0,0|1,1,0]=4 6059 B12R1.35 OCCNCC(O)c1cccs1 3e20343f25d1b6ba4db47acaf0c9575f [0,2,0,0,0,0|1,0,0]=3 6060 B12R1.37 BrCCNCCCc1cccs1 f4675a1b35e29fafdffb6f896a77fe18 [0,2,0,0,0,0|0,0,0]=2 6061 B12R1.37 BrCCNCCCc1ccsc1 bd87fef48ea15ab5d0befdec66ad2ff9 [0,2,0,0,0,0|2,0,0]=4 6062 B12R1.37 BrCCNCCCn1cccc1 2284db96f868738047cd93beb2ba7abd [0,2,0,0,0,0|2,0,0]=4 6063 B12R1.37 BrCCNCCCn1cccn1 82da33b5add149db78144ed9f3310800 [0,2,0,0,0,0|2,0,0]=4 6064 B12R1.37 C#CCCCCNc1cccs1 760d298a5dae8e336986c920fdfa5ecf [0,2,0,0,0,0|0,0,1]=3 6065 B12R1.37 C#CCCCCNc1ccns1 0082bb413125b1a89ac512abaf74bb11 [0,2,0,0,0,0|1,0,1]=4 6066 B12R1.37 C#CCCCCNc1cncs1 2f5547557d0a086905768fa03299d5ae [0,2,0,0,0,0|1,0,1]=4 6067 B12R1.37 C#CCCCCNc1nccs1 6aaa225f3526a341f548d432407530cf [0,2,0,0,0,0|1,0,1]=4 6068 B12R1.37 C#CCCCCOc1ccco1 1d6b30c07bb31db6de22565a66ae18de [0,2,0,0,0,0|0,1,1]=4 6069 B12R1.37 C#CCCCCOc1cccs1 e6209259039a5633833124d2ed84f7dd [0,2,0,0,0,0|0,0,1]=3 6070 B12R1.37 C#CCCCCOc1nccs1 f266de29729b08ecb81058ae08060aa6 [0,2,0,0,0,0|1,0,1]=4 6071 B12R1.37 C#CCCCNCc1ccc[nH]1 6d95f89eddfcdaddebf843e0ee524daa [0,2,0,0,0,0|1,0,1]=4 6072 B12R1.37 C#CCCCNCc1ccco1 c36611d5ead86df9088df03e580d2c2f [0,2,0,0,0,0|0,1,1]=4 6073 B12R1.37 C#CCCCNCc1cccs1 84397189e98ddeb161fa061ef5837f99 [0,2,0,0,0,0|0,0,1]=3 6074 B12R1.37 C#CCCCNCc1ccns1 b5ded5bc7e7484ec0f2554a55aa3f2b0 [0,2,0,0,0,0|1,0,1]=4 6075 B12R1.37 C#CCCCNCc1cncs1 806acd096e81b2668028d7d0ab1b5f93 [0,2,0,0,0,0|1,0,1]=4 6076 B12R1.37 C#CCCCNCc1nccs1 ff1cc2b9c3b71a6ed687b40193627a4e [0,2,0,0,0,0|1,0,1]=4 6077 B12R1.37 C#CCCCOCc1ccc[nH]1 5db87b9dc2de6077091d0062696880d1 [0,2,0,0,0,0|1,0,1]=4 6078 B12R1.37 C#CCCCOCc1ccco1 916a7274f8f46c5a61e8cf86092b7ec0 [0,2,0,0,0,0|0,1,1]=4 6079 B12R1.37 C#CCCCOCc1cccs1 f09e71944b259174905998a8df9ba07e [0,2,0,0,0,0|0,0,1]=3 6080 B12R1.37 C#CCCCOCc1ccns1 447d43bb2c70029809622303829f3448 [0,2,0,0,0,0|1,0,1]=4 6081 B12R1.37 C#CCCCOCc1cncs1 839559c2cc5322845b4634370c3ca089 [0,2,0,0,0,0|1,0,1]=4 6082 B12R1.37 C#CCCCOCc1nccs1 371f3ac6fc24f7670cc456fd21391619 [0,2,0,0,0,0|1,0,1]=4 6083 B12R1.37 C#CCCNCCc1ccc[nH]1 2b13b87a041b5c17532a96c14f9cbd77 [0,2,0,0,0,0|1,0,1]=4 6084 B12R1.37 C#CCCNCCc1ccco1 5d043b1d9adbfd833454105cfc5976d6 [0,2,0,0,0,0|0,1,1]=4 6085 B12R1.37 C#CCCNCCc1cccs1 264836fc5d86d99c397c5366c87e266b [0,2,0,0,0,0|0,0,1]=3 6086 B12R1.37 C#CCCNCCc1nccs1 e4ca4bd75bc11aff834a153f62c48d80 [0,2,0,0,0,0|1,0,1]=4 6087 B12R1.37 C#CCCOCCc1ccc[nH]1 b111e0cd5f2cc1b99b67a08f435e66bc [0,2,0,0,0,0|1,0,1]=4 6088 B12R1.37 C#CCCOCCc1ccco1 8203188d268708265aec4c7b9ebf761f [0,2,0,0,0,0|0,1,1]=4 6089 B12R1.37 C#CCCOCCc1cccs1 49614f183e5cb4f9b6e0c3b1e54ca0ab [0,2,0,0,0,0|0,0,1]=3 6090 B12R1.37 C#CCCOCCc1nccs1 65f96dfb036472985c43c2995db6687b [0,2,0,0,0,0|1,0,1]=4 6091 B12R1.37 C#CCNCCCc1ccco1 49792a1d8848e59944dccc7a173f7f84 [0,2,0,0,0,0|0,1,1]=4 6092 B12R1.37 C#CCNCCCc1cccs1 e4a721577790ae9351c39219a92d27db [0,2,0,0,0,0|0,0,1]=3 6093 B12R1.37 C#CCOCCCc1ccco1 0b4ba85cc5ad8ffc6cfb5c59efa685ce [0,2,0,0,0,0|0,1,1]=4 6094 B12R1.37 C#CCOCCCc1cccs1 3f13c7e26c18d3df86220414d46b1ac1 [0,2,0,0,0,0|0,0,1]=3 6095 B12R1.37 C#CCOCCNc1cccs1 fe36ac6114c2137f71b18b0b9919d488 [0,2,0,0,0,0|0,0,2]=4 6096 B12R1.37 C#CCOCCOc1cccs1 53382e7052deec054cf96bf84c5adf5a [0,2,0,0,0,0|0,0,2]=4 6097 B12R1.37 C#CCOCCSc1cccs1 23b5edc3b0b583e051f32fb3a54b5b9f [0,2,0,0,0,0|0,0,2]=4 6098 B12R1.37 C/C=C/CCOCc1ccco1 922e0f571129c220871b745cfbf2cd15 [0,2,0,0,0,0|0,1,1]=4 6099 B12R1.37 C/C=C/CCOCc1cccs1 7eb2dc75239fde81a77a083a0fa0ff9c [0,2,0,0,0,0|0,0,1]=3 6100 B12R1.37 C/C=C/CCOCc1nccs1 cdcbf94dd3283f0655ff5a616864ac80 [0,2,0,0,0,0|1,0,1]=4 6101 B12R1.37 C/C=C/CNCCc1ccc[nH]1 de3205ad94c253acdea098c03fbf1ea5 [0,2,0,0,0,0|1,0,1]=4 6102 B12R1.37 C/C=C/CNCCc1ccco1 de8beef3556424a0449c01a1d1192b09 [0,2,0,0,0,0|0,1,1]=4 6103 B12R1.37 C/C=C/CNCCc1cccs1 5c0d1e18d31ad3e306da265996b943f4 [0,2,0,0,0,0|0,0,1]=3 6104 B12R1.37 C/C=C/CNCCc1nccs1 2d050df6cc0a762488e54995f6b8e4dd [0,2,0,0,0,0|1,0,1]=4 6105 B12R1.37 C/C=C/COCCc1ccc[nH]1 eb0116120f647ee19769a10ba17f0027 [0,2,0,0,0,0|1,0,1]=4 6106 B12R1.37 C/C=C/COCCc1ccco1 f143d3dd7f3b180f71cd33f212f00f8e [0,2,0,0,0,0|0,1,1]=4 6107 B12R1.37 C/C=C/COCCc1cccs1 1c6e6359dcb7b66621e9bed6707c7701 [0,2,0,0,0,0|0,0,1]=3 6108 B12R1.37 C/C=C/COCCc1nccs1 e694dedeb76435f7e7dd7e4120565daa [0,2,0,0,0,0|1,0,1]=4 6109 B12R1.37 C/C=C\CCCNc1cccs1 af4eea62b524db0f1e7c0ffc70918be6 [0,2,0,0,0,0|0,0,1]=3 6110 B12R1.37 C/C=C\CCCNc1ccns1 b44c518d68b95ad9da8efad37ef78959 [0,2,0,0,0,0|1,0,1]=4 6111 B12R1.37 C/C=C\CCCNc1cncs1 aeea7a27e6ba8c2bae91e992c05b8897 [0,2,0,0,0,0|1,0,1]=4 6112 B12R1.37 C/C=C\CCCNc1nccs1 95d5e82f2d6b57c945aa9337d0790fe0 [0,2,0,0,0,0|1,0,1]=4 6113 B12R1.37 C/C=C\CCCOc1ccco1 20904606007f4fba2ae90b7274e7b01b [0,2,0,0,0,0|0,1,1]=4 6114 B12R1.37 C/C=C\CCCOc1cccs1 750728f5cf5f7d34b5c548f57b8f6c5c [0,2,0,0,0,0|0,0,1]=3 6115 B12R1.37 C/C=C\CCCOc1nccs1 3e051f11b0c4a46483ba7df1824361d9 [0,2,0,0,0,0|1,0,1]=4 6116 B12R1.37 C/C=C\CNCCc1ccc[nH]1 51859a1176aceef83f03b32eecb2bafd [0,2,0,0,0,0|1,0,1]=4 6117 B12R1.37 C/C=C\CNCCc1ccco1 7e6754f226c250ff7458b6da6162d502 [0,2,0,0,0,0|0,1,1]=4 6118 B12R1.37 C/C=C\CNCCc1cccs1 d4092f93d93b58c8ebba7413bda984d3 [0,2,0,0,0,0|0,0,1]=3 6119 B12R1.37 C/C=C\CNCCc1nccs1 1098b8acc24ae35e685c3da28ce5661e [0,2,0,0,0,0|1,0,1]=4 6120 B12R1.37 C/C=C\COCCc1ccc[nH]1 d0df4212583be7ebe4429152d6b73998 [0,2,0,0,0,0|1,0,1]=4 6121 B12R1.37 C/C=C\COCCc1ccco1 2b2f1cfd54cc569e1a6660f29cc24404 [0,2,0,0,0,0|0,1,1]=4 6122 B12R1.37 C/C=C\COCCc1cccs1 bbb84aed5e8c3b5b103dbb453c5ddbdc [0,2,0,0,0,0|0,0,1]=3 6123 B12R1.37 C/C=C\COCCc1nccs1 4cf24b4147980cfa8a0a0b0957792ee0 [0,2,0,0,0,0|1,0,1]=4 6124 B12R1.37 C=C=CCCOCc1cccs1 9524f2909f341b5aa8b167e00d79d5b2 [0,2,0,0,0,0|0,0,2]=4 6125 B12R1.37 C=CCCCCNc1ccco1 ece90ecd119535c7d46c20f85664c38c [0,2,0,0,0,0|0,1,1]=4 6126 B12R1.37 C=CCCCCNc1cccs1 aa8cc3fb765eb4fe82d1de2a4f73eda8 [0,2,0,0,0,0|0,0,1]=3 6127 B12R1.37 C=CCCCCNc1ccns1 a2d2091e2a56bf8a33de78fd5667f756 [0,2,0,0,0,0|1,0,1]=4 6128 B12R1.37 C=CCCCCNc1cncs1 1b1fe0bf8113c3cd0dc8937a1b354252 [0,2,0,0,0,0|1,0,1]=4 6129 B12R1.37 C=CCCCCNc1nccs1 002ae2d832c05c712bfa51a5243a44d2 [0,2,0,0,0,0|1,0,1]=4 6130 B12R1.37 C=CCCCCOc1ccco1 89b701cfd6c5221ffb52215a4a18fa24 [0,2,0,0,0,0|0,1,1]=4 6131 B12R1.37 C=CCCCCOc1cccs1 19697fa5e5d071f10abc74cea7e7aab1 [0,2,0,0,0,0|0,0,1]=3 6132 B12R1.37 C=CCCCCOc1nccs1 26b5f0e5b08e902f13d5aaadcf9277bd [0,2,0,0,0,0|1,0,1]=4 6133 B12R1.37 C=CCCCNCc1ccc[nH]1 f52309372a5b55343cdbff4f330bd49f [0,2,0,0,0,0|1,0,1]=4 6134 B12R1.37 C=CCCCNCc1ccco1 0883a34d9e334519346ea4ef43da69a8 [0,2,0,0,0,0|0,1,1]=4 6135 B12R1.37 C=CCCCNCc1cccs1 d2f471f62c3234ca46453d63972bb3a2 [0,2,0,0,0,0|0,0,1]=3 6136 B12R1.37 C=CCCCNCc1ccns1 c4a1cc68671949489587ac376474897c [0,2,0,0,0,0|1,0,1]=4 6137 B12R1.37 C=CCCCNCc1cncs1 ba276e87b8d386c9f7824a53c78c7bf8 [0,2,0,0,0,0|1,0,1]=4 6138 B12R1.37 C=CCCCNCc1nccs1 d3450f610f91f4541471d035c293e883 [0,2,0,0,0,0|1,0,1]=4 6139 B12R1.37 C=CCCCOCc1ccc[nH]1 952133f0616535f2458afc0218649b99 [0,2,0,0,0,0|1,0,1]=4 6140 B12R1.37 C=CCCCOCc1ccco1 181396e4d62a9da96f31e43e541d51ae [0,2,0,0,0,0|0,1,1]=4 6141 B12R1.37 C=CCCCOCc1cccs1 980e5b2aa6b19e981d5fb0a91e37258e [0,2,0,0,0,0|0,0,1]=3 6142 B12R1.37 C=CCCCOCc1ccns1 a1dbbcf0342755a4ec874a1f6aaf16c3 [0,2,0,0,0,0|1,0,1]=4 6143 B12R1.37 C=CCCCOCc1cncs1 0595071e9bf730f1f69b1d068589e38b [0,2,0,0,0,0|1,0,1]=4 6144 B12R1.37 C=CCCCOCc1nccs1 f7c793ee6f871750d9aaf1e00601989f [0,2,0,0,0,0|1,0,1]=4 6145 B12R1.37 C=CCCNCCc1ccc[nH]1 2c7dcfee75c933481d5c07b72e1f5060 [0,2,0,0,0,0|1,0,1]=4 6146 B12R1.37 C=CCCNCCc1ccco1 af01b0d16abbd0965bf87084a7d30adb [0,2,0,0,0,0|0,1,1]=4 6147 B12R1.37 C=CCCNCCc1cccs1 f36d783a502b67ad6272aa12bd0fb19b [0,2,0,0,0,0|0,0,1]=3 6148 B12R1.37 C=CCCNCCc1nccs1 12f6c09d676489e6497905143783bd22 [0,2,0,0,0,0|1,0,1]=4 6149 B12R1.37 C=CCCOCCc1ccc[nH]1 02b74c248d304206d7da98eb96001894 [0,2,0,0,0,0|1,0,1]=4 6150 B12R1.37 C=CCCOCCc1ccco1 081e3a7babbfa007009e7cd99b7ddaeb [0,2,0,0,0,0|0,1,1]=4 6151 B12R1.37 C=CCCOCCc1cccs1 9b120bebfe67362b77c9d01a989f7e3c [0,2,0,0,0,0|0,0,1]=3 6152 B12R1.37 C=CCCOCCc1nccs1 99b22153b4cfc6d12fdfc64211619b90 [0,2,0,0,0,0|1,0,1]=4 6153 B12R1.37 C=CCNCCCc1ccco1 2101c9b527f1fe190dcfc9ba831d45ca [0,2,0,0,0,0|0,1,1]=4 6154 B12R1.37 C=CCNCCCc1cccs1 582f7ad3ab7116efb5e5ee653958e13e [0,2,0,0,0,0|0,0,1]=3 6155 B12R1.37 C=CCOCCCc1ccco1 99178929de48e1decefb35fbcaeac7b9 [0,2,0,0,0,0|0,1,1]=4 6156 B12R1.37 C=CCOCCCc1cccs1 dfd083dffe69b69669a2c2e82d699e9e [0,2,0,0,0,0|0,0,1]=3 6157 B12R1.37 C=CCOCCNc1cccs1 5d5384d540101336d6690d18e5bc11ed [0,2,0,0,0,0|0,0,2]=4 6158 B12R1.37 C=CCOCCOc1cccs1 9d79b3e9d4c690db77bfd2cc24cf296a [0,2,0,0,0,0|0,0,2]=4 6159 B12R1.37 C=COCCCNc1cccs1 76ee4bb370b47531bae4bb46f1ef2663 [0,2,0,0,0,0|0,0,2]=4 6160 B12R1.37 C=COCCNCc1cccs1 9643107e7f6a77bd67d5a9118bd0d5e7 [0,2,0,0,0,0|0,0,2]=4 6161 B12R1.37 C=COCCOCc1cccs1 69e70f350a6fb68d8d39197f0cf46270 [0,2,0,0,0,0|0,0,2]=4 6162 B12R1.37 CC#CCCOCc1ccco1 fd0f07f4abaf0fae27c49cf7451a3bf7 [0,2,0,0,0,0|0,1,1]=4 6163 B12R1.37 CC#CCCOCc1cccs1 72db6718f31d0cf9525fec9bf957626d [0,2,0,0,0,0|0,0,1]=3 6164 B12R1.37 CC#CCCOCc1nccs1 538f86760d3bb25e16dab3671d360c72 [0,2,0,0,0,0|1,0,1]=4 6165 B12R1.37 CC#CCNCCc1cccs1 d52d5c843dd5df6edac2e54b1a04c833 [0,2,0,0,0,0|0,0,1]=3 6166 B12R1.37 CC#CCOCCc1cccs1 ec43137e2a2dbabdb6ac307926aa2dc6 [0,2,0,0,0,0|0,0,1]=3 6167 B12R1.37 CC/C=C/CNCc1ccc[nH]1 a3dade5836303dc78bbf284123ec0023 [0,2,0,0,0,0|1,0,1]=4 6168 B12R1.37 CC/C=C/CNCc1ccco1 719e8cd828bf8446116668990edbf905 [0,2,0,0,0,0|0,1,1]=4 6169 B12R1.37 CC/C=C/CNCc1cccs1 a81b70936e2d41ace9f865ddad51eba8 [0,2,0,0,0,0|0,0,1]=3 6170 B12R1.37 CC/C=C/CNCc1ccns1 80e1cca07eb581c5e3fddffb97b4d560 [0,2,0,0,0,0|1,0,1]=4 6171 B12R1.37 CC/C=C/CNCc1cncs1 fe15cf74b354f2e5b8ae442377fc1e38 [0,2,0,0,0,0|1,0,1]=4 6172 B12R1.37 CC/C=C/CNCc1nccs1 de712b2366e12fdd46bc26e6e181dc76 [0,2,0,0,0,0|1,0,1]=4 6173 B12R1.37 CC/C=C/COCc1ccc[nH]1 e5d897290b4966df5abd5fc3ca7da684 [0,2,0,0,0,0|1,0,1]=4 6174 B12R1.37 CC/C=C/COCc1ccco1 072f601ecab49e09d69319bf1f7e9aa9 [0,2,0,0,0,0|0,1,1]=4 6175 B12R1.37 CC/C=C/COCc1cccs1 51116767db054a323df5d2238a06691d [0,2,0,0,0,0|0,0,1]=3 6176 B12R1.37 CC/C=C/COCc1ccns1 07cdb01e33f077a10b61230f5df9985b [0,2,0,0,0,0|1,0,1]=4 6177 B12R1.37 CC/C=C/COCc1cncs1 1ecec02d50d459878461921bae1aeea0 [0,2,0,0,0,0|1,0,1]=4 6178 B12R1.37 CC/C=C/COCc1nccs1 e262f3167d8029a481fccfc9ee484b46 [0,2,0,0,0,0|1,0,1]=4 6179 B12R1.37 CC/C=C\CCNc1cccs1 1736803deaa46b346b37a8b96dc6f938 [0,2,0,0,0,0|0,0,1]=3 6180 B12R1.37 CC/C=C\CCNc1ccns1 a3f25bb250a05f1edc8e24801c0effe5 [0,2,0,0,0,0|1,0,1]=4 6181 B12R1.37 CC/C=C\CCNc1cncs1 0ddac33ac8919db62e35e9a12ad6c36a [0,2,0,0,0,0|1,0,1]=4 6182 B12R1.37 CC/C=C\CCNc1nccs1 d740303b0446e4f209b0b8a71e684794 [0,2,0,0,0,0|1,0,1]=4 6183 B12R1.37 CC/C=C\CCOc1ccco1 4c5470b8309a3faa5a8a48aeb67cb2e2 [0,2,0,0,0,0|0,1,1]=4 6184 B12R1.37 CC/C=C\CCOc1cccs1 9ecc67d8fed23558366e9d6cc5fe6ec3 [0,2,0,0,0,0|0,0,1]=3 6185 B12R1.37 CC/C=C\CCOc1nccs1 33d6dbccff167e5ee0d12f6a10cbb7d1 [0,2,0,0,0,0|1,0,1]=4 6186 B12R1.37 CC/C=C\COCc1ccco1 a44e21f82d484b334cf1ef5caa471e47 [0,2,0,0,0,0|0,1,1]=4 6187 B12R1.37 CC/C=C\COCc1cccs1 b5b457e55336ed5b08391326309d8ef7 [0,2,0,0,0,0|0,0,1]=3 6188 B12R1.37 CC/C=C\COCc1nccs1 e9b1d80f56bcf56fe8567d46e743f180 [0,2,0,0,0,0|1,0,1]=4 6189 B12R1.37 CC=CCNCCc1cccs1 97f0ff014ac8eda863f9c6b2ef839198 [0,2,0,0,0,0|0,0,1]=3 6190 B12R1.37 CC=CCOCCc1cccs1 c27e195c96ea18c00a80d67975967e49 [0,2,0,0,0,0|0,0,1]=3 6191 B12R1.37 CCC#CCNCc1ccc[nH]1 a727a1f1c7d0c895e470e49f3ac9f279 [0,2,0,0,0,0|1,0,1]=4 6192 B12R1.37 CCC#CCNCc1nccs1 05867af285ee76082a9dfea8da3bc8b0 [0,2,0,0,0,0|1,0,1]=4 6193 B12R1.37 CCC#CCOCc1ccc[nH]1 be6edadb0900fed48112e399de445da9 [0,2,0,0,0,0|1,0,1]=4 6194 B12R1.37 CCC#CCOCc1ccco1 6b059e9ffc0fcd669c8317c2329deef4 [0,2,0,0,0,0|0,1,1]=4 6195 B12R1.37 CCC#CCOCc1cccs1 d2ea25d551f27930b2520ded20d7ca7a [0,2,0,0,0,0|0,0,1]=3 6196 B12R1.37 CCC#CCOCc1nccs1 5d95bc125618e2216c238e1027b1232e [0,2,0,0,0,0|1,0,1]=4 6197 B12R1.37 CCC/C=C/CNc1cccs1 b0474aa7e911d7920a19e091605ae284 [0,2,0,0,0,0|0,0,1]=3 6198 B12R1.37 CCC/C=C/CNc1ccns1 5ff4fb7bb65f358d796c5e29c8511767 [0,2,0,0,0,0|1,0,1]=4 6199 B12R1.37 CCC/C=C/CNc1cncs1 dabc67ac7dfa4e66e9e046a73dd75fc6 [0,2,0,0,0,0|1,0,1]=4 6200 B12R1.37 CCC/C=C/CNc1nccs1 fab5e1c284689d7f4fafda17a20a9e22 [0,2,0,0,0,0|1,0,1]=4 6201 B12R1.37 CCC/C=C/COc1ccco1 ef0ea0177f314c6d1622ec4aabbca7e1 [0,2,0,0,0,0|0,1,1]=4 6202 B12R1.37 CCC/C=C/COc1cccs1 eb789020e58fabd6386d7cd242cfa4f0 [0,2,0,0,0,0|0,0,1]=3 6203 B12R1.37 CCC/C=C/COc1nccs1 d93821854ac74c801e5c3d57738eabc0 [0,2,0,0,0,0|1,0,1]=4 6204 B12R1.37 CCC/C=C\CNc1cccs1 32953b901e417546b33e8ebb8a856fa8 [0,2,0,0,0,0|0,0,1]=3 6205 B12R1.37 CCC/C=C\CNc1ccns1 a1315596e07abe5519900afae0b8cdaf [0,2,0,0,0,0|1,0,1]=4 6206 B12R1.37 CCC/C=C\CNc1cncs1 668a726e4318f848acf72fe4d3ab7e9f [0,2,0,0,0,0|1,0,1]=4 6207 B12R1.37 CCC/C=C\CNc1nccs1 098038d8d66c03ac5fe2d4b8cb9d1f6c [0,2,0,0,0,0|1,0,1]=4 6208 B12R1.37 CCC/C=C\COc1ccco1 5f09e2f5a44dfb20230c2bdb19b2a5cd [0,2,0,0,0,0|0,1,1]=4 6209 B12R1.37 CCC/C=C\COc1cccs1 509ba754ac56cb2dd31f6eb87d357e9c [0,2,0,0,0,0|0,0,1]=3 6210 B12R1.37 CCC/C=C\COc1nccs1 a1e9a7b3087f4dcd8f7c853eb2cc0168 [0,2,0,0,0,0|1,0,1]=4 6211 B12R1.37 CCCCCCNc1c[nH]cn1 40074b44398f1c9c77b85f32f15b53b2 [0,2,0,0,0,0|2,0,0]=4 6212 B12R1.37 CCCCCCNc1cc[nH]n1 3148f9e0461a53183443478606246955 [0,2,0,0,0,0|2,0,0]=4 6213 B12R1.37 CCCCCCNc1ccco1 968a4d53efe53ed5a3a5c1a565e3ec23 [0,2,0,0,0,0|0,1,0]=3 6214 B12R1.37 CCCCCCNc1cccs1 bf48127587b06273bab9ebca077b5815 [0,2,0,0,0,0|0,0,0]=2 6215 B12R1.37 CCCCCCNc1ccno1 3513a7e9da93e433db06c4f2c4f23f00 [0,2,0,0,0,0|1,1,0]=4 6216 B12R1.37 CCCCCCNc1ccns1 bded65b24f3f3333715803c8eb9ca265 [0,2,0,0,0,0|1,0,0]=3 6217 B12R1.37 CCCCCCNc1ccoc1 f72dce0dd181a5c2b053e7bfd6cecb7c [0,2,0,0,0,0|2,0,0]=4 6218 B12R1.37 CCCCCCNc1ccon1 f84894efa6811042a1d95df15ac84c11 [0,2,0,0,0,0|2,0,0]=4 6219 B12R1.37 CCCCCCNc1ccsc1 5ba40a52416a11397194d3617b38f0ff [0,2,0,0,0,0|2,0,0]=4 6220 B12R1.37 CCCCCCNc1ccsn1 1688dcda3d7f7f4e93eb477646252cad [0,2,0,0,0,0|2,0,0]=4 6221 B12R1.37 CCCCCCNc1cncs1 d8341e1253260c6d547cf99ffbd52094 [0,2,0,0,0,0|1,0,0]=3 6222 B12R1.37 CCCCCCNc1cocn1 3fce68ea3ae9ff5f79aae5f384422067 [0,2,0,0,0,0|2,0,0]=4 6223 B12R1.37 CCCCCCNc1cscn1 2e48a14978e1beb847d450cd5f763767 [0,2,0,0,0,0|2,0,0]=4 6224 B12R1.37 CCCCCCNc1ncc[nH]1 d669ad0f6d2ccb08e4102c7d2dfeb3ca [0,2,0,0,0,0|2,0,0]=4 6225 B12R1.37 CCCCCCNc1ncco1 7f75a2f3d83be84f9238bb2ec2ea4b89 [0,2,0,0,0,0|1,1,0]=4 6226 B12R1.37 CCCCCCNc1nccs1 a1c5f520fb791f13ea1dcc2561f9dd22 [0,2,0,0,0,0|1,0,0]=3 6227 B12R1.37 CCCCCCNc1ncns1 fa29dd0dc87a769c13852e28ec7e157b [0,2,0,0,0,0|2,0,0]=4 6228 B12R1.37 CCCCCCOc1c[nH]cn1 96ff707d732c13c887499744bc39afb8 [0,2,0,0,0,0|2,0,0]=4 6229 B12R1.37 CCCCCCOc1ccco1 8cfc09f94ff03b23af7786a6374c9abc [0,2,0,0,0,0|0,1,0]=3 6230 B12R1.37 CCCCCCOc1cccs1 070c0abad0bd74d2aa6d0550a9407a80 [0,2,0,0,0,0|0,0,0]=2 6231 B12R1.37 CCCCCCOc1ccn[nH]1 be37dd9ac17a8f7b387e58e450f21392 [0,2,0,0,0,0|2,0,0]=4 6232 B12R1.37 CCCCCCOc1ccsc1 a7610cf63e6a46c86b579b49f9213938 [0,2,0,0,0,0|2,0,0]=4 6233 B12R1.37 CCCCCCOc1nccs1 1b94b9d523c7806b19caf3c440d6c096 [0,2,0,0,0,0|1,0,0]=3 6234 B12R1.37 CCCCCCOc1nncs1 4e3329efdc245dad4fb4c5990350f015 [0,2,0,0,0,0|2,0,0]=4 6235 B12R1.37 CCCCCCOn1cccn1 345ae6bfcb22c27693bab47fe62574bc [0,2,0,0,0,0|2,0,0]=4 6236 B12R1.37 CCCCCNCc1cc[nH]c1 b740edc830de11de9dfc964cf4fee54a [0,2,0,0,0,0|2,0,0]=4 6237 B12R1.37 CCCCCNCc1ccc[nH]1 4972a95719ca23336fe1ccde1dd83965 [0,2,0,0,0,0|1,0,0]=3 6238 B12R1.37 CCCCCNCc1ccco1 0d2a7e7994936d84447dd28ebeebbe81 [0,2,0,0,0,0|0,1,0]=3 6239 B12R1.37 CCCCCNCc1cccs1 30a16cf6045cd6a979edeb8ea9c67ec8 [0,2,0,0,0,0|0,0,0]=2 6240 B12R1.37 CCCCCNCc1ccn[nH]1 a4a8c4a8981c10e7828f3b33d01ac9b3 [0,2,0,0,0,0|2,0,0]=4 6241 B12R1.37 CCCCCNCc1ccno1 8936603c4772481516f5f4e7b548e1ee [0,2,0,0,0,0|1,1,0]=4 6242 B12R1.37 CCCCCNCc1ccns1 91a9c741f723022c679df0e6ab772e09 [0,2,0,0,0,0|1,0,0]=3 6243 B12R1.37 CCCCCNCc1ccoc1 169e12f5a8d21c46caa5688fd31d1d73 [0,2,0,0,0,0|2,0,0]=4 6244 B12R1.37 CCCCCNCc1ccon1 f1218fd29164f5c9327c9aab17d3a64b [0,2,0,0,0,0|2,0,0]=4 6245 B12R1.37 CCCCCNCc1ccsc1 510dddad8ded30079c478dd1899eed5a [0,2,0,0,0,0|2,0,0]=4 6246 B12R1.37 CCCCCNCc1ccsn1 a5f5df7325c0abce5eacea5648502a40 [0,2,0,0,0,0|2,0,0]=4 6247 B12R1.37 CCCCCNCc1cnc[nH]1 b22996bb5a4c16027042715f89a426e0 [0,2,0,0,0,0|2,0,0]=4 6248 B12R1.37 CCCCCNCc1cnco1 5e1c9ab4fa28edab05915c39e33a79c5 [0,2,0,0,0,0|1,1,0]=4 6249 B12R1.37 CCCCCNCc1cncs1 70a9e950a434e13ecaac75757cc8c26f [0,2,0,0,0,0|1,0,0]=3 6250 B12R1.37 CCCCCNCc1cocn1 334e00414d922462cad58cb61f304951 [0,2,0,0,0,0|2,0,0]=4 6251 B12R1.37 CCCCCNCc1cscn1 fcfa0f30c9bb0ad187a586540b30e607 [0,2,0,0,0,0|2,0,0]=4 6252 B12R1.37 CCCCCNCc1ncc[nH]1 2b438c1c49cccd46ee973a94680b2385 [0,2,0,0,0,0|2,0,0]=4 6253 B12R1.37 CCCCCNCc1ncco1 5149d5b0dff5c62af2c523cbd144dd20 [0,2,0,0,0,0|1,1,0]=4 6254 B12R1.37 CCCCCNCc1nccs1 fa3a54605cc786decc971b8a3703ebe8 [0,2,0,0,0,0|1,0,0]=3 6255 B12R1.37 CCCCCOCc1cc[nH]c1 cb8998a03688bdebc5239e1cf1e8e53b [0,2,0,0,0,0|2,0,0]=4 6256 B12R1.37 CCCCCOCc1ccc[nH]1 c6cf61e284f1a95e7704028fc5f55e92 [0,2,0,0,0,0|1,0,0]=3 6257 B12R1.37 CCCCCOCc1ccco1 557c89e123001911e56b3421696ebf11 [0,2,0,0,0,0|0,1,0]=3 6258 B12R1.37 CCCCCOCc1cccs1 716f5ef80df92e2eee4a94e9c3a11b66 [0,2,0,0,0,0|0,0,0]=2 6259 B12R1.37 CCCCCOCc1ccn[nH]1 5b30199d1c3cf40421af1b8f98843206 [0,2,0,0,0,0|2,0,0]=4 6260 B12R1.37 CCCCCOCc1ccno1 c4a8f9f3f62109a63497f8b181cfe734 [0,2,0,0,0,0|1,1,0]=4 6261 B12R1.37 CCCCCOCc1ccns1 bdce35114532f9b80ae0dfe66d73032e [0,2,0,0,0,0|1,0,0]=3 6262 B12R1.37 CCCCCOCc1ccoc1 84cc864f5f076a7518119690e8817ab3 [0,2,0,0,0,0|2,0,0]=4 6263 B12R1.37 CCCCCOCc1ccon1 ed7b80f0fc29357ef68b2c820deb4937 [0,2,0,0,0,0|2,0,0]=4 6264 B12R1.37 CCCCCOCc1ccsc1 ae1ae703d33c8e0732dd3bd7899b2ac1 [0,2,0,0,0,0|2,0,0]=4 6265 B12R1.37 CCCCCOCc1ccsn1 d50b0ae3c0ddb9f6e2b09249fd5be296 [0,2,0,0,0,0|2,0,0]=4 6266 B12R1.37 CCCCCOCc1cnc[nH]1 73921f22fb184f82b686480b019f9446 [0,2,0,0,0,0|2,0,0]=4 6267 B12R1.37 CCCCCOCc1cnco1 9dade849b638ab4d0bfc156dd46be91c [0,2,0,0,0,0|1,1,0]=4 6268 B12R1.37 CCCCCOCc1cocn1 c705609ecf8b2dc328f0d3a7daac61bf [0,2,0,0,0,0|2,0,0]=4 6269 B12R1.37 CCCCCOCc1cscn1 1da4fbe769fef92902033188ead9ee2e [0,2,0,0,0,0|2,0,0]=4 6270 B12R1.37 CCCCCOCc1ncc[nH]1 73fda91bb34b3eb2d640b312e0452809 [0,2,0,0,0,0|2,0,0]=4 6271 B12R1.37 CCCCCOCc1ncco1 bb1e90ebb1ec81fe768294aeb83d94cb [0,2,0,0,0,0|1,1,0]=4 6272 B12R1.37 CCCCCOCc1nccs1 7c6b7bdcff373c77890efc6826ef07a6 [0,2,0,0,0,0|1,0,0]=3 6273 B12R1.37 CCCCCOCc1ncns1 55bda8ecf8754b6469be8013bc5cd871 [0,2,0,0,0,0|2,0,0]=4 6274 B12R1.37 CCCCCOCn1cccn1 09e7d234bd58c1976f388aea8906584a [0,2,0,0,0,0|2,0,0]=4 6275 B12R1.37 CCCCNCCc1c[nH]cn1 36a1cd28bf92297afb113c0995cae81b [0,2,0,0,0,0|2,0,0]=4 6276 B12R1.37 CCCCNCCc1cc[nH]n1 84b2aa56a7b05166209fd74b164b7596 [0,2,0,0,0,0|2,0,0]=4 6277 B12R1.37 CCCCNCCc1ccc[nH]1 c02374a3ca2c4345120278559a42eecd [0,2,0,0,0,0|1,0,0]=3 6278 B12R1.37 CCCCNCCc1ccco1 f1a6e7bef760ebee5097e21f3ac2dc8c [0,2,0,0,0,0|0,1,0]=3 6279 B12R1.37 CCCCNCCc1cccs1 f21b64dece9c8f92246b4a0e33c125b0 [0,2,0,0,0,0|0,0,0]=2 6280 B12R1.37 CCCCNCCc1ccsc1 03005826e547d3678744c5840318ae4c [0,2,0,0,0,0|2,0,0]=4 6281 B12R1.37 CCCCNCCc1cscn1 60645d4405e84ba342ad7e49549674db [0,2,0,0,0,0|2,0,0]=4 6282 B12R1.37 CCCCNCCc1ncc[nH]1 9af3c97cfe7e17c32c5674a5953291d5 [0,2,0,0,0,0|2,0,0]=4 6283 B12R1.37 CCCCNCCc1nccs1 5a055521356a4c9ae3d2802166e572c1 [0,2,0,0,0,0|1,0,0]=3 6284 B12R1.37 CCCCNCCc1nncs1 30f0e80ac1489447a32eb22b5f69dbad [0,2,0,0,0,0|2,0,0]=4 6285 B12R1.37 CCCCNCCn1cccc1 fef722c5d7dc6491b309e7f8baff0378 [0,2,0,0,0,0|2,0,0]=4 6286 B12R1.37 CCCCNCCn1cccn1 7d31e0fe10b2f48206fb4bfdd4656a3e [0,2,0,0,0,0|2,0,0]=4 6287 B12R1.37 CCCCOCCc1c[nH]cn1 1d2ad080616480e76814deb7197a4ec1 [0,2,0,0,0,0|2,0,0]=4 6288 B12R1.37 CCCCOCCc1cc[nH]n1 7f862ee5252b10efabc380b59aebb0c7 [0,2,0,0,0,0|2,0,0]=4 6289 B12R1.37 CCCCOCCc1ccc[nH]1 2a249f4ef911c7d8e77cd7a1400e21b3 [0,2,0,0,0,0|1,0,0]=3 6290 B12R1.37 CCCCOCCc1ccco1 fbd46e274ee803351ace623e362366aa [0,2,0,0,0,0|0,1,0]=3 6291 B12R1.37 CCCCOCCc1cccs1 47097e7bfcc74e542094fab3faba3fa4 [0,2,0,0,0,0|0,0,0]=2 6292 B12R1.37 CCCCOCCc1ccoc1 da9e77b0fa6c4a1131d57cb2e0c1b34a [0,2,0,0,0,0|2,0,0]=4 6293 B12R1.37 CCCCOCCc1ccon1 23ea2f853889a2ef22b0dea7c28c7d6e [0,2,0,0,0,0|2,0,0]=4 6294 B12R1.37 CCCCOCCc1ccsc1 ac92ac2fee99f06dba56f03c017187e8 [0,2,0,0,0,0|2,0,0]=4 6295 B12R1.37 CCCCOCCc1cscn1 b5608be31537b23a230e8eebf8b8c6a2 [0,2,0,0,0,0|2,0,0]=4 6296 B12R1.37 CCCCOCCc1ncc[nH]1 4f43bb40c8daf34991213c528b2e7177 [0,2,0,0,0,0|2,0,0]=4 6297 B12R1.37 CCCCOCCc1nccs1 f54811e93f51769f29ae60d70109126f [0,2,0,0,0,0|1,0,0]=3 6298 B12R1.37 CCCCOCCn1cccc1 003141c0103e2139db2e5ca156580184 [0,2,0,0,0,0|2,0,0]=4 6299 B12R1.37 CCCCOCCn1cccn1 b83a739539871c932860832f012e6e01 [0,2,0,0,0,0|2,0,0]=4 6300 B12R1.37 CCCCOCNc1cc[nH]n1 3eef012cacc14eefb867f284ba4c32a9 [0,2,0,0,0,0|2,0,0]=4 6301 B12R1.37 CCCCOCNc1cccs1 e6a9c840101fc5d2277e28907e0a3057 [0,2,0,0,0,0|0,0,0]=2 6302 B12R1.37 CCCCOCNc1ccno1 4c77bd523314373191c3a0cf5e9a8705 [0,2,0,0,0,0|1,1,0]=4 6303 B12R1.37 CCCCOCNc1ccns1 9356e92563f3e9e77a7b6da7ded7b0ab [0,2,0,0,0,0|1,0,0]=3 6304 B12R1.37 CCCCOCNc1ccon1 893ac2b20459f590a06ebb4370e10d1e [0,2,0,0,0,0|2,0,0]=4 6305 B12R1.37 CCCCOCNc1ccsc1 bc99b63296cae555f3f2244eaf6e9f72 [0,2,0,0,0,0|2,0,0]=4 6306 B12R1.37 CCCCOCNc1cnns1 0daa49fb0681b2e0a0289d9c3f552875 [0,2,0,0,0,0|2,0,0]=4 6307 B12R1.37 CCCCOCNc1cocn1 440e6b9c3c90086d634c8f77ebdaf15c [0,2,0,0,0,0|2,0,0]=4 6308 B12R1.37 CCCCOCNc1cscn1 524a825bf3b2491776d5ed87a0eec1a7 [0,2,0,0,0,0|2,0,0]=4 6309 B12R1.37 CCCCOCNc1ncc[nH]1 3a6e0348c220a3540e0a8a726be10948 [0,2,0,0,0,0|2,0,0]=4 6310 B12R1.37 CCCCOCNc1ncco1 2ad22a8d0d6557dd51033d7e14010c9e [0,2,0,0,0,0|1,1,0]=4 6311 B12R1.37 CCCCOCNc1nccs1 72912fbc6ffd813be1ffa4d6b5381b16 [0,2,0,0,0,0|1,0,0]=3 6312 B12R1.37 CCCCOCNc1ncns1 7dcef9c1e06ea755995d7a51c1b12fab [0,2,0,0,0,0|2,0,0]=4 6313 B12R1.37 CCCCOCNc1nncs1 7de7355dd5f6dd81bb48010c521a404a [0,2,0,0,0,0|2,0,0]=4 6314 B12R1.37 CCCCOCOc1c[nH]cn1 beb6fc89c40bdcd2685778afdbf902a5 [0,2,0,0,0,0|2,0,0]=4 6315 B12R1.37 CCCCOCOc1ccco1 37b5cb0df1be3d07e3423079c32f51cf [0,2,0,0,0,0|0,1,0]=3 6316 B12R1.37 CCCCOCOc1cccs1 40bd70d14e98721091d9dec013007886 [0,2,0,0,0,0|0,0,0]=2 6317 B12R1.37 CCCCOCOc1ccn[nH]1 6dfc2a0233f6618d61766be20697c649 [0,2,0,0,0,0|2,0,0]=4 6318 B12R1.37 CCCCOCOc1ccsc1 a5104ed8d348ce0565ced09e00148c2a [0,2,0,0,0,0|2,0,0]=4 6319 B12R1.37 CCCCOCOc1nccs1 47b131438c91c77e0202d9a11ee4f09b [0,2,0,0,0,0|1,0,0]=3 6320 B12R1.37 CCCCOCOc1nncs1 86384731378708fb063d2af99b8cec3e [0,2,0,0,0,0|2,0,0]=4 6321 B12R1.37 CCCCOCOn1cccn1 8e9f6641f1757055791c824db4f922a6 [0,2,0,0,0,0|2,0,0]=4 6322 B12R1.37 CCCNCCCc1c[nH]cn1 fbbfac574bda006dc1354f8daf98820f [0,2,0,0,0,0|2,0,0]=4 6323 B12R1.37 CCCNCCCc1ccco1 e946fe96bad1891961df03e2504913dd [0,2,0,0,0,0|0,1,0]=3 6324 B12R1.37 CCCNCCCc1cccs1 5e39c9a3a52187712d908cfe7b654ca6 [0,2,0,0,0,0|0,0,0]=2 6325 B12R1.37 CCCNCCCc1ccsc1 cb14ba7ff4b0a489366f6e57d42af54b [0,2,0,0,0,0|2,0,0]=4 6326 B12R1.37 CCCNCCCc1ncc[nH]1 08156edf344162c6817a3dda39482485 [0,2,0,0,0,0|2,0,0]=4 6327 B12R1.37 CCCNCCCn1cccc1 903ba6228bff29f6683c27a85183cbf9 [0,2,0,0,0,0|2,0,0]=4 6328 B12R1.37 CCCNCCCn1cccn1 4a424465dbdf3e5e01436cd948750597 [0,2,0,0,0,0|2,0,0]=4 6329 B12R1.37 CCCOCCCc1ccco1 9ac4b1617711b1fd2f4c01a3eb503ef4 [0,2,0,0,0,0|0,1,0]=3 6330 B12R1.37 CCCOCCCc1cccs1 b0f36c3251f8921b968d646ef63acb5a [0,2,0,0,0,0|0,0,0]=2 6331 B12R1.37 CCCOCCCc1ccsc1 d00ef8d58f6d2c3c3ef484f820b66091 [0,2,0,0,0,0|2,0,0]=4 6332 B12R1.37 CCCOCCCc1cnc[nH]1 f21dd19023beb527ebb7f2fb9c27fab7 [0,2,0,0,0,0|2,0,0]=4 6333 B12R1.37 CCCOCCCn1cccc1 afb9ee0865d5b2d21eb0457a14fbde72 [0,2,0,0,0,0|2,0,0]=4 6334 B12R1.37 CCCOCCCn1cccn1 133047e4bf97834f08a8c4b002982184 [0,2,0,0,0,0|2,0,0]=4 6335 B12R1.37 CCCOCCNc1c[nH]cn1 c48fc08b28dac43f291c3951de0298de [0,2,0,0,0,0|2,0,0]=4 6336 B12R1.37 CCCOCCNc1cc[nH]n1 914a6a95814f6cc786b65dc0a5da24cd [0,2,0,0,0,0|2,0,0]=4 6337 B12R1.37 CCCOCCNc1ccco1 8d68c5300e47b2038abfedbfe4d962a8 [0,2,0,0,0,0|0,1,0]=3 6338 B12R1.37 CCCOCCNc1cccs1 95458c4383ef197cae93db787f93a7df [0,2,0,0,0,0|0,0,0]=2 6339 B12R1.37 CCCOCCNc1ccno1 55395b2b10c34bb4eae6e98245b940af [0,2,0,0,0,0|1,1,0]=4 6340 B12R1.37 CCCOCCNc1ccns1 02b2b23eb809449e8066373537102010 [0,2,0,0,0,0|1,0,0]=3 6341 B12R1.37 CCCOCCNc1ccoc1 daa8f8fda816695df8cda1770acbd190 [0,2,0,0,0,0|2,0,0]=4 6342 B12R1.37 CCCOCCNc1ccon1 b24e3096b091627586ed5fb9e6518296 [0,2,0,0,0,0|2,0,0]=4 6343 B12R1.37 CCCOCCNc1ccsc1 9c3dcd922c7816ab82da9b0587f74074 [0,2,0,0,0,0|2,0,0]=4 6344 B12R1.37 CCCOCCNc1ccsn1 91245b6a37c685e13b7811ea5340c8e5 [0,2,0,0,0,0|2,0,0]=4 6345 B12R1.37 CCCOCCNc1cncs1 cfb7816f8480ad460cb14b840d3526a1 [0,2,0,0,0,0|1,0,0]=3 6346 B12R1.37 CCCOCCNc1cnns1 469baeecea218c6f4cab70d5ed87c56c [0,2,0,0,0,0|2,0,0]=4 6347 B12R1.37 CCCOCCNc1cocn1 722cb596c5756ace40701eebffa074ac [0,2,0,0,0,0|2,0,0]=4 6348 B12R1.37 CCCOCCNc1cscn1 a96145e5eef468141b32c0dd41f0b54d [0,2,0,0,0,0|2,0,0]=4 6349 B12R1.37 CCCOCCNc1ncc[nH]1 8bbb423fc95c961f652267d9c34a3986 [0,2,0,0,0,0|2,0,0]=4 6350 B12R1.37 CCCOCCNc1ncco1 4ef2c047fd1cd82aedffab81b90f6ebf [0,2,0,0,0,0|1,1,0]=4 6351 B12R1.37 CCCOCCNc1nccs1 eceb17a556937cd9c2b5e83eeb25f650 [0,2,0,0,0,0|1,0,0]=3 6352 B12R1.37 CCCOCCNc1ncns1 f81672aa316dd55bc7782911220accef [0,2,0,0,0,0|2,0,0]=4 6353 B12R1.37 CCCOCCNc1nncs1 0b6f707aee666df98fe653ad266b78d4 [0,2,0,0,0,0|2,0,0]=4 6354 B12R1.37 CCCOCCOc1c[nH]cn1 4f7064cf985783bac63ba30eb97d6d86 [0,2,0,0,0,0|2,0,0]=4 6355 B12R1.37 CCCOCCOc1ccco1 6e5594438d3b11a273cfad0fca0a5c12 [0,2,0,0,0,0|0,1,0]=3 6356 B12R1.37 CCCOCCOc1cccs1 f101b9a259eb6a3b034a487085a8bb2c [0,2,0,0,0,0|0,0,0]=2 6357 B12R1.37 CCCOCCOc1ccn[nH]1 7e2f4822a79c65d523eb0851f1ab6848 [0,2,0,0,0,0|2,0,0]=4 6358 B12R1.37 CCCOCCOc1ccsc1 3a72b9995e3d482986ad53b1bdddd3aa [0,2,0,0,0,0|2,0,0]=4 6359 B12R1.37 CCCOCCOc1nccs1 4ba02df27260a7e1b591d6eebb2d80d4 [0,2,0,0,0,0|1,0,0]=3 6360 B12R1.37 CCCOCCOc1nncs1 c16cf4e383e200ae5b0c6c7d3a36815e [0,2,0,0,0,0|2,0,0]=4 6361 B12R1.37 CCCOCCOn1cccn1 0a16b20c4cb8ec9c92694ba6e865b889 [0,2,0,0,0,0|2,0,0]=4 6362 B12R1.37 CCCOCCSc1cccs1 6cd7fd1030ca8453b2d2cb9d47bce831 [0,2,0,0,0,0|0,0,0]=2 6363 B12R1.37 CCNCCCCc1cnc[nH]1 fcef21008acc10df3dc4b35c69cd78d6 [0,2,0,0,0,0|2,0,0]=4 6364 B12R1.37 CCOCCCCn1cccn1 02ab24e99484760498f8b16acacd6bbc [0,2,0,0,0,0|2,0,0]=4 6365 B12R1.37 CCOCCCNc1c[nH]cn1 4807df2ebabc9b55d43dec105a05684c [0,2,0,0,0,0|2,0,0]=4 6366 B12R1.37 CCOCCCNc1cc[nH]n1 4ec73f94f1aa6c236c064c3a25e3ec88 [0,2,0,0,0,0|2,0,0]=4 6367 B12R1.37 CCOCCCNc1ccco1 a0f55163af793cdce97bc53d43246cbe [0,2,0,0,0,0|0,1,0]=3 6368 B12R1.37 CCOCCCNc1cccs1 680ea2e0e49af47f4bf724a15dc2971a [0,2,0,0,0,0|0,0,0]=2 6369 B12R1.37 CCOCCCNc1ccno1 49e97b5f0decd4c17d2213314f842f8a [0,2,0,0,0,0|1,1,0]=4 6370 B12R1.37 CCOCCCNc1ccns1 84ac630d5cc268f1ceda0448834acde6 [0,2,0,0,0,0|1,0,0]=3 6371 B12R1.37 CCOCCCNc1ccoc1 f06b6236ecac2253205e5ee7779c0808 [0,2,0,0,0,0|2,0,0]=4 6372 B12R1.37 CCOCCCNc1ccon1 3c89e077ae27292ab1ea893961d8ac84 [0,2,0,0,0,0|2,0,0]=4 6373 B12R1.37 CCOCCCNc1ccsc1 4f64337faa67f91d193e487eecdc8770 [0,2,0,0,0,0|2,0,0]=4 6374 B12R1.37 CCOCCCNc1cncs1 cced1f9b9999caae11476bb2b4d055d0 [0,2,0,0,0,0|1,0,0]=3 6375 B12R1.37 CCOCCCNc1cnns1 5749ecf1851cf04404fbc331c707e912 [0,2,0,0,0,0|2,0,0]=4 6376 B12R1.37 CCOCCCNc1cocn1 6670943c29abf3bee0bb11782ebc6981 [0,2,0,0,0,0|2,0,0]=4 6377 B12R1.37 CCOCCCNc1cscn1 6d6dbde158b69f74b10c410e72d3846a [0,2,0,0,0,0|2,0,0]=4 6378 B12R1.37 CCOCCCNc1ncc[nH]1 9fbe48af3c0ef24021aabe477063f87f [0,2,0,0,0,0|2,0,0]=4 6379 B12R1.37 CCOCCCNc1ncco1 fbe11f800eb1723c1033a7cbb363110c [0,2,0,0,0,0|1,1,0]=4 6380 B12R1.37 CCOCCCNc1nccs1 43d284e6043cacd8ed3bd1ea017127c6 [0,2,0,0,0,0|1,0,0]=3 6381 B12R1.37 CCOCCCNc1ncns1 7ebf07ee835fa83f6288cf44e0d6c71c [0,2,0,0,0,0|2,0,0]=4 6382 B12R1.37 CCOCCCNc1nncs1 1f01460e3d1621a646447d8c4135eb0c [0,2,0,0,0,0|2,0,0]=4 6383 B12R1.37 CCOCCCOc1c[nH]cn1 6e0dd687567fceeb3152b1571f2e552f [0,2,0,0,0,0|2,0,0]=4 6384 B12R1.37 CCOCCCOc1ccco1 483a4ea87e24f62e80b59024bc4e2c12 [0,2,0,0,0,0|0,1,0]=3 6385 B12R1.37 CCOCCCOc1cccs1 b4537dae9c4e459bcf4efe301b1dfa74 [0,2,0,0,0,0|0,0,0]=2 6386 B12R1.37 CCOCCCOc1ccn[nH]1 f90fe79613335bfff89ae99d355b5662 [0,2,0,0,0,0|2,0,0]=4 6387 B12R1.37 CCOCCCOc1ccsc1 ae95b9593519f947889328098a14c1aa [0,2,0,0,0,0|2,0,0]=4 6388 B12R1.37 CCOCCCOc1nccs1 26d1036a1de765cf0662092eb9209b38 [0,2,0,0,0,0|1,0,0]=3 6389 B12R1.37 CCOCCCOc1nncs1 74bc37cec1aef0afc50cfa4663f81ccc [0,2,0,0,0,0|2,0,0]=4 6390 B12R1.37 CCOCCCOn1cccn1 53de81f863b5fec9a628622f1ae31445 [0,2,0,0,0,0|2,0,0]=4 6391 B12R1.37 CCOCCNCc1cc[nH]c1 02f4ab405c99001b063757a8ffc0690e [0,2,0,0,0,0|2,0,0]=4 6392 B12R1.37 CCOCCNCc1ccc[nH]1 5c66a83d1d7ae1cf17a3b6243b6be0cc [0,2,0,0,0,0|1,0,0]=3 6393 B12R1.37 CCOCCNCc1ccco1 7577fa7621751488f1185d4b67e8ece6 [0,2,0,0,0,0|0,1,0]=3 6394 B12R1.37 CCOCCNCc1cccs1 dd78b061297a8bdcb68263eef7852732 [0,2,0,0,0,0|0,0,0]=2 6395 B12R1.37 CCOCCNCc1ccn[nH]1 7290212c2cf2b3c0871a9e2bc491e7f8 [0,2,0,0,0,0|2,0,0]=4 6396 B12R1.37 CCOCCNCc1ccno1 7d5e4f6def7508b1dbeecb74b9bfa6f3 [0,2,0,0,0,0|1,1,0]=4 6397 B12R1.37 CCOCCNCc1ccns1 d656d527ae4c11b32313c49ee32e2e15 [0,2,0,0,0,0|1,0,0]=3 6398 B12R1.37 CCOCCNCc1ccoc1 4aa48007dd6eef412228b3e394d156bd [0,2,0,0,0,0|2,0,0]=4 6399 B12R1.37 CCOCCNCc1ccon1 76684fbdc29be998ab3aee07b2158611 [0,2,0,0,0,0|2,0,0]=4 6400 B12R1.37 CCOCCNCc1ccsc1 40de6884d1e83b0e20321d16b889f3ea [0,2,0,0,0,0|2,0,0]=4 6401 B12R1.37 CCOCCNCc1ccsn1 6375e474bcce55269d5d5b382aac485d [0,2,0,0,0,0|2,0,0]=4 6402 B12R1.37 CCOCCNCc1cnc[nH]1 b689547fae5b8d3f7391376bed86d8e3 [0,2,0,0,0,0|2,0,0]=4 6403 B12R1.37 CCOCCNCc1cnco1 c9a0394acfc04d3dbda30a5a8d4e6cc7 [0,2,0,0,0,0|1,1,0]=4 6404 B12R1.37 CCOCCNCc1cncs1 c9d8abf6d0bb9e7595f36b47c3b2343c [0,2,0,0,0,0|1,0,0]=3 6405 B12R1.37 CCOCCNCc1cocn1 b3e843cfae127db67a954b6122aab39a [0,2,0,0,0,0|2,0,0]=4 6406 B12R1.37 CCOCCNCc1cscn1 8d9765e7c71b2594e79d78b054204050 [0,2,0,0,0,0|2,0,0]=4 6407 B12R1.37 CCOCCNCc1ncc[nH]1 3b24524cedd7f8a6adfcc7e4332a762e [0,2,0,0,0,0|2,0,0]=4 6408 B12R1.37 CCOCCNCc1ncco1 358eedb33b2ef70b7b48e85594d492a4 [0,2,0,0,0,0|1,1,0]=4 6409 B12R1.37 CCOCCNCc1nccs1 033eff83c58ef7dc7cbf79fbdcda51e2 [0,2,0,0,0,0|1,0,0]=3 6410 B12R1.37 CCOCCOCc1cc[nH]c1 a18119de4f47fbb9f8c71448a4ee76c0 [0,2,0,0,0,0|2,0,0]=4 6411 B12R1.37 CCOCCOCc1ccc[nH]1 1e17e1f38858270764dc9b27e5ab872f [0,2,0,0,0,0|1,0,0]=3 6412 B12R1.37 CCOCCOCc1ccco1 de87c5588851c6257b67e619dee14835 [0,2,0,0,0,0|0,1,0]=3 6413 B12R1.37 CCOCCOCc1cccs1 2660208037d86fb8a7c6119b52da6eeb [0,2,0,0,0,0|0,0,0]=2 6414 B12R1.37 CCOCCOCc1ccn[nH]1 4615059b3c7d1fabe0af4f29eb0f8b22 [0,2,0,0,0,0|2,0,0]=4 6415 B12R1.37 CCOCCOCc1ccno1 8ef026a677521cb68b89f50497f12766 [0,2,0,0,0,0|1,1,0]=4 6416 B12R1.37 CCOCCOCc1ccns1 3f5e30207755de76c3da19ba149fac7f [0,2,0,0,0,0|1,0,0]=3 6417 B12R1.37 CCOCCOCc1ccoc1 aef46aa072560698db6cac6f5ed18cf4 [0,2,0,0,0,0|2,0,0]=4 6418 B12R1.37 CCOCCOCc1ccon1 05198b4ce8f98f8d7afa4a9fe7d6c174 [0,2,0,0,0,0|2,0,0]=4 6419 B12R1.37 CCOCCOCc1ccsc1 1be63992406984e286acbe2408942dd3 [0,2,0,0,0,0|2,0,0]=4 6420 B12R1.37 CCOCCOCc1ccsn1 f127cc45bd7b3e2c0295902406fb485f [0,2,0,0,0,0|2,0,0]=4 6421 B12R1.37 CCOCCOCc1cnc[nH]1 69a3cbcce102181efebc461a05a1cd61 [0,2,0,0,0,0|2,0,0]=4 6422 B12R1.37 CCOCCOCc1cnco1 4dac33943ec60ee8eb183e6b84dadc86 [0,2,0,0,0,0|1,1,0]=4 6423 B12R1.37 CCOCCOCc1cncs1 b879069737d3cdef7255d1f976731a0d [0,2,0,0,0,0|1,0,0]=3 6424 B12R1.37 CCOCCOCc1cocn1 e2fcd46eb6aecedfed5d8c95b0604b73 [0,2,0,0,0,0|2,0,0]=4 6425 B12R1.37 CCOCCOCc1cscn1 86c403a37b6302952631df4e6f7872f2 [0,2,0,0,0,0|2,0,0]=4 6426 B12R1.37 CCOCCOCc1ncc[nH]1 d6ff45c099d16773bc2baf71be8347ee [0,2,0,0,0,0|2,0,0]=4 6427 B12R1.37 CCOCCOCc1ncco1 b6a5a82fb2f3b2c568e8d737c2ed6215 [0,2,0,0,0,0|1,1,0]=4 6428 B12R1.37 CCOCCOCc1nccs1 35badf14383ac89872f4424e85c0555b [0,2,0,0,0,0|1,0,0]=3 6429 B12R1.37 CCOCCOCc1ncns1 66dadcf90b9dc310240eababda038931 [0,2,0,0,0,0|2,0,0]=4 6430 B12R1.37 CCOCCOCn1cccn1 162bc75be5e7d581f97e876529951a53 [0,2,0,0,0,0|2,0,0]=4 6431 B12R1.37 CCOCNCCc1c[nH]cn1 26d346b8d4ee5abae44b63c43f73b243 [0,2,0,0,0,0|2,0,0]=4 6432 B12R1.37 CCOCNCCc1cc[nH]n1 cb8567d6e563e3e83de281da917c964f [0,2,0,0,0,0|2,0,0]=4 6433 B12R1.37 CCOCNCCc1ccc[nH]1 ca4ae3f78e7d85e313c8cc93c43da1d4 [0,2,0,0,0,0|1,0,0]=3 6434 B12R1.37 CCOCNCCc1ccco1 2ad133d7ad3a392e5270f640d8290d9b [0,2,0,0,0,0|0,1,0]=3 6435 B12R1.37 CCOCNCCc1ccsc1 177b05799b0624fe0267ce5ec6311d6a [0,2,0,0,0,0|2,0,0]=4 6436 B12R1.37 CCOCNCCc1cscn1 492dd02f9d22f9a16cc09c247af848fe [0,2,0,0,0,0|2,0,0]=4 6437 B12R1.37 CCOCNCCc1ncc[nH]1 838ecf19de006f1e1c2a378bb51d418d [0,2,0,0,0,0|2,0,0]=4 6438 B12R1.37 CCOCNCCc1nccs1 a06984f7e2b04e3d77847f3cc8a090dc [0,2,0,0,0,0|1,0,0]=3 6439 B12R1.37 CCOCNCCc1nncs1 18e0a9c0f73516c5e584c3460b4dce1d [0,2,0,0,0,0|2,0,0]=4 6440 B12R1.37 CCOCNCCn1cccc1 a83c8441c248d3f80eeb00bcc128d2fe [0,2,0,0,0,0|2,0,0]=4 6441 B12R1.37 CCOCNCCn1cccn1 f5e20e9821bc6bbe88a0dcf55271deb5 [0,2,0,0,0,0|2,0,0]=4 6442 B12R1.37 CCOCOCCc1c[nH]cn1 e1661eb481ff272cd90a373c39762d5d [0,2,0,0,0,0|2,0,0]=4 6443 B12R1.37 CCOCOCCc1cc[nH]n1 1e5e4c71708448d13d0ca9eed203d65f [0,2,0,0,0,0|2,0,0]=4 6444 B12R1.37 CCOCOCCc1ccc[nH]1 040175465ff35384c5a4b864b21714d8 [0,2,0,0,0,0|1,0,0]=3 6445 B12R1.37 CCOCOCCc1ccon1 6cc79a47a7416a456e29f4ee9eac5361 [0,2,0,0,0,0|2,0,0]=4 6446 B12R1.37 CCOCOCCc1ccsc1 7287a0de3e2119cbceca9b60976f7bb5 [0,2,0,0,0,0|2,0,0]=4 6447 B12R1.37 CCOCOCCc1ncc[nH]1 262281a76399f68ffa3d87478af81383 [0,2,0,0,0,0|2,0,0]=4 6448 B12R1.37 CCOCOCCc1nccs1 f8da0f92abab99490905c89a9c969aea [0,2,0,0,0,0|1,0,0]=3 6449 B12R1.37 CCOCOCCn1cccc1 d4dc8089f5d507fccba202d9440e88b8 [0,2,0,0,0,0|2,0,0]=4 6450 B12R1.37 CCOCOCCn1cccn1 934a204a8ffc74b50b0a0a91d9b2626b [0,2,0,0,0,0|2,0,0]=4 6451 B12R1.37 CCSCCCNc1cc[nH]n1 5b10ad850fb6a2273f174666b4a4771f [0,2,0,0,0,0|2,0,0]=4 6452 B12R1.37 CCSCCCNc1cccs1 286970b63a90b3d92ab7e429af023f35 [0,2,0,0,0,0|0,0,0]=2 6453 B12R1.37 CCSCCCNc1ccno1 ec980aa87551b81d48d5a10e49bd9502 [0,2,0,0,0,0|1,1,0]=4 6454 B12R1.37 CCSCCCNc1ccns1 89db06faa22866762cd351317e8279ee [0,2,0,0,0,0|1,0,0]=3 6455 B12R1.37 CCSCCCNc1ccon1 c33c31880869217aacf4c50f8fa98d78 [0,2,0,0,0,0|2,0,0]=4 6456 B12R1.37 CCSCCCNc1ccsc1 609c76e336bbe70d3e7602cbb5c9e670 [0,2,0,0,0,0|2,0,0]=4 6457 B12R1.37 CCSCCCNc1cncs1 0e9cc7b67263784863aeca9058bc8880 [0,2,0,0,0,0|1,0,0]=3 6458 B12R1.37 CCSCCCNc1cnns1 a1fd00380a5dfffe8f341396ab80bb6f [0,2,0,0,0,0|2,0,0]=4 6459 B12R1.37 CCSCCCNc1cocn1 d86a197653a3b4db0819dc070435107d [0,2,0,0,0,0|2,0,0]=4 6460 B12R1.37 CCSCCCNc1cscn1 fdf0e47b9be61cbfc468eb650372285f [0,2,0,0,0,0|2,0,0]=4 6461 B12R1.37 CCSCCCNc1ncc[nH]1 0c0124b009dcab545f8c8575332d310f [0,2,0,0,0,0|2,0,0]=4 6462 B12R1.37 CCSCCCNc1ncco1 ff5a4ebcf3a0c5954d0b78dc7c258b33 [0,2,0,0,0,0|1,1,0]=4 6463 B12R1.37 CCSCCCNc1nccs1 2e0d4fdf828d33067d70b518a385fcc8 [0,2,0,0,0,0|1,0,0]=3 6464 B12R1.37 CCSCCCNc1ncns1 5bf75610bac316fbf9b32b3fa55c839b [0,2,0,0,0,0|2,0,0]=4 6465 B12R1.37 CCSCCCNc1nncs1 ac6ff16841951b59f44268a8fb1d24d0 [0,2,0,0,0,0|2,0,0]=4 6466 B12R1.37 CCSCCCOc1c[nH]cn1 8a35c2868a049be4c530d186ba59f802 [0,2,0,0,0,0|2,0,0]=4 6467 B12R1.37 CCSCCCOc1ccco1 429e9f0ba3449bc18e5902b2f7d367e7 [0,2,0,0,0,0|0,1,0]=3 6468 B12R1.37 CCSCCCOc1cccs1 ead9914044ba0c72ad4c7e5d373c2554 [0,2,0,0,0,0|0,0,0]=2 6469 B12R1.37 CCSCCCOc1ccn[nH]1 3e5fa8f95d32fb276c9d5c2135a7a963 [0,2,0,0,0,0|2,0,0]=4 6470 B12R1.37 CCSCCCOc1ccsc1 c6de1f5bd99d570d61e49b961d86d519 [0,2,0,0,0,0|2,0,0]=4 6471 B12R1.37 CCSCCCOc1nccs1 265db94c0a71ab22e70bbc53ae8b4097 [0,2,0,0,0,0|1,0,0]=3 6472 B12R1.37 CCSCCCOc1nncs1 fa94d6a4efb8864f06c7420e4598d277 [0,2,0,0,0,0|2,0,0]=4 6473 B12R1.37 CCSCCCOn1cccn1 8e55cdc192cbd8374b16f70923ab3566 [0,2,0,0,0,0|2,0,0]=4 6474 B12R1.37 CCSCCNCc1cc[nH]c1 9a950414905cc211dab9dc978eb0b5a6 [0,2,0,0,0,0|2,0,0]=4 6475 B12R1.37 CCSCCNCc1ccc[nH]1 9ef7ed9ce6103705a549a380818b6437 [0,2,0,0,0,0|1,0,0]=3 6476 B12R1.37 CCSCCNCc1ccco1 a5d3a1191115fe1b279dd0580f750da7 [0,2,0,0,0,0|0,1,0]=3 6477 B12R1.37 CCSCCNCc1cccs1 b1d93681a4555438a93daaa7ad5bc315 [0,2,0,0,0,0|0,0,0]=2 6478 B12R1.37 CCSCCNCc1ccn[nH]1 2c68e7b41a92a2bad9181c38cbbd6b2f [0,2,0,0,0,0|2,0,0]=4 6479 B12R1.37 CCSCCNCc1ccno1 d06fc63ca43ee25eaeec2933a842da67 [0,2,0,0,0,0|1,1,0]=4 6480 B12R1.37 CCSCCNCc1ccns1 5958cc302741d47062680a3cf6fb9461 [0,2,0,0,0,0|1,0,0]=3 6481 B12R1.37 CCSCCNCc1ccon1 d094fe4a8939ac295e43677374d81ea0 [0,2,0,0,0,0|2,0,0]=4 6482 B12R1.37 CCSCCNCc1ccsc1 ebc047253ac292e94a8602a3f2c89d70 [0,2,0,0,0,0|2,0,0]=4 6483 B12R1.37 CCSCCNCc1ccsn1 6e1e98ca6e2ae1e028d047691e69c7f0 [0,2,0,0,0,0|2,0,0]=4 6484 B12R1.37 CCSCCNCc1cnc[nH]1 b61a464d960d16873f02a31dc34c080a [0,2,0,0,0,0|2,0,0]=4 6485 B12R1.37 CCSCCNCc1cnco1 5e8833072970bcd82ec995333ac8e661 [0,2,0,0,0,0|1,1,0]=4 6486 B12R1.37 CCSCCNCc1cocn1 66869abc6707f603e46af550c5a55a6d [0,2,0,0,0,0|2,0,0]=4 6487 B12R1.37 CCSCCNCc1cscn1 398b2e66ce486b95ab0f16b8e498940e [0,2,0,0,0,0|2,0,0]=4 6488 B12R1.37 CCSCCNCc1ncc[nH]1 6431e1cf3890150b8b42bcd25ca514cf [0,2,0,0,0,0|2,0,0]=4 6489 B12R1.37 CCSCCNCc1ncco1 7e7e719c28c3797bca6ee9cbb6dd82c0 [0,2,0,0,0,0|1,1,0]=4 6490 B12R1.37 CCSCCNCc1nccs1 efaf139e419b7cfbc257f2d9fd59c474 [0,2,0,0,0,0|1,0,0]=3 6491 B12R1.37 CCSCCOCc1cc[nH]c1 eb110105f4f4bb6d7f995c9921aac683 [0,2,0,0,0,0|2,0,0]=4 6492 B12R1.37 CCSCCOCc1ccc[nH]1 31ee5f2075df5c2cfae85578a3ac0697 [0,2,0,0,0,0|1,0,0]=3 6493 B12R1.37 CCSCCOCc1ccco1 43b684f243b5a9bbbb5dfac73acbe701 [0,2,0,0,0,0|0,1,0]=3 6494 B12R1.37 CCSCCOCc1cccs1 f49c73f345a72756c4f40a288ca212bf [0,2,0,0,0,0|0,0,0]=2 6495 B12R1.37 CCSCCOCc1ccn[nH]1 8d0d56e27d8656b7f4bb1076885a1d84 [0,2,0,0,0,0|2,0,0]=4 6496 B12R1.37 CCSCCOCc1ccno1 eae9357654239822d91c3c46ff855ad2 [0,2,0,0,0,0|1,1,0]=4 6497 B12R1.37 CCSCCOCc1ccns1 102baa4c64ce8ae9b53dac5cc43fad0f [0,2,0,0,0,0|1,0,0]=3 6498 B12R1.37 CCSCCOCc1ccon1 4870b25078e98d2903257f07ad42d96e [0,2,0,0,0,0|2,0,0]=4 6499 B12R1.37 CCSCCOCc1ccsc1 7a7b5437e3aa297abbd9853b0407f9ed [0,2,0,0,0,0|2,0,0]=4 6500 B12R1.37 CCSCCOCc1ccsn1 e24b6c811b3d1f186540e2f2ba22af44 [0,2,0,0,0,0|2,0,0]=4 6501 B12R1.37 CCSCCOCc1cnc[nH]1 2461be058fac5613cf6a0697de8460ab [0,2,0,0,0,0|2,0,0]=4 6502 B12R1.37 CCSCCOCc1cnco1 9dda6f6f4085f3a1f8e51adffd7f9560 [0,2,0,0,0,0|1,1,0]=4 6503 B12R1.37 CCSCCOCc1cocn1 cf6c998955dc071774b1e0187ff74746 [0,2,0,0,0,0|2,0,0]=4 6504 B12R1.37 CCSCCOCc1cscn1 962c5bc599890a29017d08e268462c12 [0,2,0,0,0,0|2,0,0]=4 6505 B12R1.37 CCSCCOCc1ncc[nH]1 a4b3e49f746ce5ae4b6811ac035aa8cf [0,2,0,0,0,0|2,0,0]=4 6506 B12R1.37 CCSCCOCc1ncco1 922f266b0104fce745a82a2e96531a1b [0,2,0,0,0,0|1,1,0]=4 6507 B12R1.37 CCSCCOCc1nccs1 064774626eaed7b7b0e622662138e325 [0,2,0,0,0,0|1,0,0]=3 6508 B12R1.37 CCSCCOCc1ncns1 23a442d07520686692c205b937e8936d [0,2,0,0,0,0|2,0,0]=4 6509 B12R1.37 CCSCCOCn1cccn1 938abc5cea48c1673c05e0b5ce9c4408 [0,2,0,0,0,0|2,0,0]=4 6510 B12R1.37 COCCCCNc1c[nH]cn1 b1cb1be55d2705b540cf4790f8153cad [0,2,0,0,0,0|2,0,0]=4 6511 B12R1.37 COCCCCNc1cc[nH]n1 81771a1da3cf8b40cf3432c6ebca3a33 [0,2,0,0,0,0|2,0,0]=4 6512 B12R1.37 COCCCCNc1ccco1 8583168a7388f1e4de7508379a044749 [0,2,0,0,0,0|0,1,0]=3 6513 B12R1.37 COCCCCNc1cccs1 b47225e459debf6e2bbc9eaaaec2e9e8 [0,2,0,0,0,0|0,0,0]=2 6514 B12R1.37 COCCCCNc1ccno1 4b5a5d7b59f6ce3a15e965a69a4ab48f [0,2,0,0,0,0|1,1,0]=4 6515 B12R1.37 COCCCCNc1ccns1 862c027559602426d509128b1ae17c48 [0,2,0,0,0,0|1,0,0]=3 6516 B12R1.37 COCCCCNc1ccoc1 ee13da379f4930a72edcd86be1b365d6 [0,2,0,0,0,0|2,0,0]=4 6517 B12R1.37 COCCCCNc1ccon1 52f51a7fbae888b6feb815ad965012e5 [0,2,0,0,0,0|2,0,0]=4 6518 B12R1.37 COCCCCNc1ccsc1 a8091a389925f5ebc150e5ea36a60f89 [0,2,0,0,0,0|2,0,0]=4 6519 B12R1.37 COCCCCNc1ccsn1 40abf3b62ab904737886a3b4cc967e81 [0,2,0,0,0,0|2,0,0]=4 6520 B12R1.37 COCCCCNc1cncs1 aec5eb324d76343476265001fb0a52b7 [0,2,0,0,0,0|1,0,0]=3 6521 B12R1.37 COCCCCNc1cnns1 18cc8be151e267d759033063f690e46d [0,2,0,0,0,0|2,0,0]=4 6522 B12R1.37 COCCCCNc1cocn1 ca527f4703d3fb93fe66da71716300a4 [0,2,0,0,0,0|2,0,0]=4 6523 B12R1.37 COCCCCNc1cscn1 fbd3de9aa3df7c2f8be8fde1883eaa75 [0,2,0,0,0,0|2,0,0]=4 6524 B12R1.37 COCCCCNc1ncc[nH]1 cac158fdc685ad04ef7100761ebc4f40 [0,2,0,0,0,0|2,0,0]=4 6525 B12R1.37 COCCCCNc1ncco1 09f7bd6473b046d0530019f715e65c02 [0,2,0,0,0,0|1,1,0]=4 6526 B12R1.37 COCCCCNc1nccs1 3985e3d76700defc2a5bc3f8efc0aecf [0,2,0,0,0,0|1,0,0]=3 6527 B12R1.37 COCCCCNc1ncns1 64b64a1f82b9ab5666b6f95652695494 [0,2,0,0,0,0|2,0,0]=4 6528 B12R1.37 COCCCCNc1nncs1 fee094f53a0b36ad3098e06ff8bcfd21 [0,2,0,0,0,0|2,0,0]=4 6529 B12R1.37 COCCCCOc1c[nH]cn1 618fbca7a1e914e459905e93b60af50e [0,2,0,0,0,0|2,0,0]=4 6530 B12R1.37 COCCCCOc1ccco1 8ae68e11cd9a5365d07e7cd515462634 [0,2,0,0,0,0|0,1,0]=3 6531 B12R1.37 COCCCCOc1cccs1 0e0de49194f5c9f1c06d618dcaf747b0 [0,2,0,0,0,0|0,0,0]=2 6532 B12R1.37 COCCCCOc1ccn[nH]1 0d4ea02551ea3ed8d80e979e644377c4 [0,2,0,0,0,0|2,0,0]=4 6533 B12R1.37 COCCCCOc1ccsc1 4ac89e04d27d37e1058b8c886045fd7c [0,2,0,0,0,0|2,0,0]=4 6534 B12R1.37 COCCCCOc1nccs1 145e36ff32c7e32cd02c765831565545 [0,2,0,0,0,0|1,0,0]=3 6535 B12R1.37 COCCCCOc1nncs1 15208229c640f591759057c6e782261d [0,2,0,0,0,0|2,0,0]=4 6536 B12R1.37 COCCCCOn1cccn1 7a98a5e6fa2cd1c4156bfbd86bebbb8e [0,2,0,0,0,0|2,0,0]=4 6537 B12R1.37 COCCCNCc1cc[nH]c1 bc4e5f1c066ac82f94e48eb5637359a6 [0,2,0,0,0,0|2,0,0]=4 6538 B12R1.37 COCCCNCc1ccc[nH]1 4762b363a7ec7c04dec01cf7676760f8 [0,2,0,0,0,0|1,0,0]=3 6539 B12R1.37 COCCCNCc1ccco1 34b3bb8e8f8097928b923c99eb4f73be [0,2,0,0,0,0|0,1,0]=3 6540 B12R1.37 COCCCNCc1cccs1 2da12b508288eb790665bba3baa0662b [0,2,0,0,0,0|0,0,0]=2 6541 B12R1.37 COCCCNCc1ccn[nH]1 ef0525e66cde0fcfd02cc671113db1ed [0,2,0,0,0,0|2,0,0]=4 6542 B12R1.37 COCCCNCc1ccno1 a2b4b754a5e0f48d9558a149cfa92bce [0,2,0,0,0,0|1,1,0]=4 6543 B12R1.37 COCCCNCc1ccns1 4674953e81f258fb73739b5b687005d1 [0,2,0,0,0,0|1,0,0]=3 6544 B12R1.37 COCCCNCc1ccoc1 f2425eabcdc7fd8d38265955efa30dff [0,2,0,0,0,0|2,0,0]=4 6545 B12R1.37 COCCCNCc1ccon1 2390be3501459b70c85fcf4335dc5130 [0,2,0,0,0,0|2,0,0]=4 6546 B12R1.37 COCCCNCc1ccsc1 93fdb982263e2a4d29eb07c957212067 [0,2,0,0,0,0|2,0,0]=4 6547 B12R1.37 COCCCNCc1ccsn1 43589788360abacc8f1748fa5e28a39f [0,2,0,0,0,0|2,0,0]=4 6548 B12R1.37 COCCCNCc1cnc[nH]1 16fc56012c5550087730dd6e854369e6 [0,2,0,0,0,0|2,0,0]=4 6549 B12R1.37 COCCCNCc1cnco1 90b41613d3ccb68af5ce56c193478666 [0,2,0,0,0,0|1,1,0]=4 6550 B12R1.37 COCCCNCc1cncs1 219c61d54c4244a9f245347499a0a5c9 [0,2,0,0,0,0|1,0,0]=3 6551 B12R1.37 COCCCNCc1cocn1 5fee58de903c3293880a3b690874691d [0,2,0,0,0,0|2,0,0]=4 6552 B12R1.37 COCCCNCc1cscn1 7d91df4a268acac59e9cff20f53a1eb6 [0,2,0,0,0,0|2,0,0]=4 6553 B12R1.37 COCCCNCc1ncc[nH]1 5b0e7ade9d834c46654a42a26e92e5b8 [0,2,0,0,0,0|2,0,0]=4 6554 B12R1.37 COCCCNCc1ncco1 d0a4099c0f75ff127de1f568e9823b0c [0,2,0,0,0,0|1,1,0]=4 6555 B12R1.37 COCCCNCc1nccs1 88924a7e4f59689b86f1838a00268faf [0,2,0,0,0,0|1,0,0]=3 6556 B12R1.37 COCCCOCc1cc[nH]c1 cc6a505227084701d67f7d7962be187b [0,2,0,0,0,0|2,0,0]=4 6557 B12R1.37 COCCCOCc1ccc[nH]1 bba51e4a09cfa7da8f1f33c1f27fe3c5 [0,2,0,0,0,0|1,0,0]=3 6558 B12R1.37 COCCCOCc1ccco1 c77dababa0daf5244ffbf3001ab8c7a0 [0,2,0,0,0,0|0,1,0]=3 6559 B12R1.37 COCCCOCc1cccs1 aaf9c89c53b968e060614885a34c501c [0,2,0,0,0,0|0,0,0]=2 6560 B12R1.37 COCCCOCc1ccn[nH]1 70c89572146e2a6e560d27cf23d4d324 [0,2,0,0,0,0|2,0,0]=4 6561 B12R1.37 COCCCOCc1ccno1 d3245a3fb00b526dffb7a174ab7d2637 [0,2,0,0,0,0|1,1,0]=4 6562 B12R1.37 COCCCOCc1ccns1 385468f3747cf218162c5240b147c482 [0,2,0,0,0,0|1,0,0]=3 6563 B12R1.37 COCCCOCc1ccoc1 75d899783af190657ed6683ca56bd031 [0,2,0,0,0,0|2,0,0]=4 6564 B12R1.37 COCCCOCc1ccon1 087f5c4e2bb6a1cb16afb39ca48bfb2f [0,2,0,0,0,0|2,0,0]=4 6565 B12R1.37 COCCCOCc1ccsc1 2536b6ab0876849f21cb33bdf59d0603 [0,2,0,0,0,0|2,0,0]=4 6566 B12R1.37 COCCCOCc1ccsn1 0c1bffae285aa312333faf3b684297bd [0,2,0,0,0,0|2,0,0]=4 6567 B12R1.37 COCCCOCc1cnc[nH]1 20d1b115ef7f7fdabc43eb873d44e0f2 [0,2,0,0,0,0|2,0,0]=4 6568 B12R1.37 COCCCOCc1cnco1 6793437dc142245bb654e4b6270d6162 [0,2,0,0,0,0|1,1,0]=4 6569 B12R1.37 COCCCOCc1cncs1 e9895366f4d68f2d4b3b08af40f40f9a [0,2,0,0,0,0|1,0,0]=3 6570 B12R1.37 COCCCOCc1cocn1 e66d93e3994266170b71523027a333c4 [0,2,0,0,0,0|2,0,0]=4 6571 B12R1.37 COCCCOCc1cscn1 66248218a0dcdc8b7751bf33838199ef [0,2,0,0,0,0|2,0,0]=4 6572 B12R1.37 COCCCOCc1ncc[nH]1 4ce6fb92848c440ce0d8d54894baf677 [0,2,0,0,0,0|2,0,0]=4 6573 B12R1.37 COCCCOCc1ncco1 7c3372b1b1530f21e6b8e9fce8aee56e [0,2,0,0,0,0|1,1,0]=4 6574 B12R1.37 COCCCOCc1nccs1 01b7e4c92b320cb51c915fcb0b8ce532 [0,2,0,0,0,0|1,0,0]=3 6575 B12R1.37 COCCCOCc1ncns1 d63ed41aa3660b3f327d9fa5dedc933f [0,2,0,0,0,0|2,0,0]=4 6576 B12R1.37 COCCCOCn1cccn1 712c5d0962abefbd6b3deb1229b94d48 [0,2,0,0,0,0|2,0,0]=4 6577 B12R1.37 COCCNCCc1c[nH]cn1 209962baf8d63b025d913bc297644454 [0,2,0,0,0,0|2,0,0]=4 6578 B12R1.37 COCCNCCc1cc[nH]n1 72a2478749c22711e75c47ec646b2788 [0,2,0,0,0,0|2,0,0]=4 6579 B12R1.37 COCCNCCc1ccc[nH]1 ae2fa67bf2c6725748212d7c5ee2ee5f [0,2,0,0,0,0|1,0,0]=3 6580 B12R1.37 COCCNCCc1ccco1 df6243370c56f4b807f642e40a31f01e [0,2,0,0,0,0|0,1,0]=3 6581 B12R1.37 COCCNCCc1cccs1 7d6b4a5bc821f453992648f11af8fe14 [0,2,0,0,0,0|0,0,0]=2 6582 B12R1.37 COCCNCCc1ccsc1 b9d40f3307ce27960b49ce6f71d9eaad [0,2,0,0,0,0|2,0,0]=4 6583 B12R1.37 COCCNCCc1cscn1 f999ebd28a7864105f621455493c04cb [0,2,0,0,0,0|2,0,0]=4 6584 B12R1.37 COCCNCCc1ncc[nH]1 c30cf7ec216ea81abc6c94ff15ef6c45 [0,2,0,0,0,0|2,0,0]=4 6585 B12R1.37 COCCNCCc1nccs1 7b89de470e4dfc57a43075fdcbb14d09 [0,2,0,0,0,0|1,0,0]=3 6586 B12R1.37 COCCNCCc1nncs1 dbb5a1a30381e7d99d700164a65b22fa [0,2,0,0,0,0|2,0,0]=4 6587 B12R1.37 COCCNCCn1cccc1 dfea61384f2b485939d79d9bf5dd66dd [0,2,0,0,0,0|2,0,0]=4 6588 B12R1.37 COCCNCCn1cccn1 c15da3658044195233c5529b1d56df85 [0,2,0,0,0,0|2,0,0]=4 6589 B12R1.37 COCCOCCc1c[nH]cn1 47437c57a69338472d20c69abc4557ff [0,2,0,0,0,0|2,0,0]=4 6590 B12R1.37 COCCOCCc1cc[nH]n1 7f22baed0b4bb9cd8dbfb17d2be11e84 [0,2,0,0,0,0|2,0,0]=4 6591 B12R1.37 COCCOCCc1ccc[nH]1 90bf431a191a40fb8eb79a51b010a349 [0,2,0,0,0,0|1,0,0]=3 6592 B12R1.37 COCCOCCc1ccco1 05e8e40f243da5f99036c5e6ef6d5c89 [0,2,0,0,0,0|0,1,0]=3 6593 B12R1.37 COCCOCCc1cccs1 84c5915dd00338084a593eb352c26239 [0,2,0,0,0,0|0,0,0]=2 6594 B12R1.37 COCCOCCc1ccoc1 45ad6f63974c44ce6d45c1b819cd085f [0,2,0,0,0,0|2,0,0]=4 6595 B12R1.37 COCCOCCc1ccon1 d18c9f05ca44861ad08aa16d40ebf942 [0,2,0,0,0,0|2,0,0]=4 6596 B12R1.37 COCCOCCc1ccsc1 ddea5d9f5d03f8bc607595a7c170e27d [0,2,0,0,0,0|2,0,0]=4 6597 B12R1.37 COCCOCCc1cscn1 7cd762975a649c8ff7ab184966d6c584 [0,2,0,0,0,0|2,0,0]=4 6598 B12R1.37 COCCOCCc1ncc[nH]1 0b3c0c32c9094a246604937aee6fc788 [0,2,0,0,0,0|2,0,0]=4 6599 B12R1.37 COCCOCCc1nccs1 1c091f50e54dce042b0fcbeca9a17255 [0,2,0,0,0,0|1,0,0]=3 6600 B12R1.37 COCCOCCn1cccc1 1565e9ea9a7440ac517d8832113a169a [0,2,0,0,0,0|2,0,0]=4 6601 B12R1.37 COCCOCCn1cccn1 d46a5b16825166c677fdeb466304aa77 [0,2,0,0,0,0|2,0,0]=4 6602 B12R1.37 COCCOCNc1cccs1 86fd8f79eee5544414fbc1d16863dd2b [0,2,0,0,0,0|1,0,0]=3 6603 B12R1.37 COCCOCNc1ccns1 861668346aa059e6c8c8a13b2c24855a [0,2,0,0,0,0|2,0,0]=4 6604 B12R1.37 COCCOCNc1cncs1 832eaad58fb81a7b4823dd9fd20ce756 [0,2,0,0,0,0|2,0,0]=4 6605 B12R1.37 COCCOCNc1nccs1 b9e53e04bb27bb864982bec9721695ea [0,2,0,0,0,0|2,0,0]=4 6606 B12R1.37 COCCOCOc1ccco1 e5d421441a7eb8609f44c4d49ed57e69 [0,2,0,0,0,0|1,1,0]=4 6607 B12R1.37 COCCOCOc1cccs1 9f880b279dc4699ea6fd6cd8af807130 [0,2,0,0,0,0|1,0,0]=3 6608 B12R1.37 COCCOCOc1nccs1 82798205eaa99d938e917a344555e57e [0,2,0,0,0,0|2,0,0]=4 6609 B12R1.37 COCNCCCc1c[nH]cn1 d66edca67bdbb59f2298eee5c5a6947e [0,2,0,0,0,0|2,0,0]=4 6610 B12R1.37 COCNCCCc1ccco1 67940b27ff3c6fdeec567ee5e4b1aad3 [0,2,0,0,0,0|0,1,0]=3 6611 B12R1.37 COCNCCCc1cccs1 886f3b1e4fe82bd0b0a722b041857258 [0,2,0,0,0,0|0,0,0]=2 6612 B12R1.37 COCNCCCc1ncc[nH]1 87d7b4e5a93312d7fe574ed6d0a8bed3 [0,2,0,0,0,0|2,0,0]=4 6613 B12R1.37 COCNCCCn1cccc1 e135c0315a42ab949c93f9de3ce94217 [0,2,0,0,0,0|2,0,0]=4 6614 B12R1.37 COCNCCCn1cccn1 3fb1474c1dd9072d0c40b97598adbbf8 [0,2,0,0,0,0|2,0,0]=4 6615 B12R1.37 COCOCCCc1ccco1 605316d17ede781cca5f99b43ab4e2bd [0,2,0,0,0,0|0,1,0]=3 6616 B12R1.37 COCOCCCc1cccs1 298fce2b3dc5946f2964f47a92fe8779 [0,2,0,0,0,0|0,0,0]=2 6617 B12R1.37 COCOCCCc1ccsc1 e879ab65e0d9eb5b07fb133974edd30a [0,2,0,0,0,0|2,0,0]=4 6618 B12R1.37 COCOCCCc1cnc[nH]1 ffd2b89c006a261d53831ab3ca309c96 [0,2,0,0,0,0|2,0,0]=4 6619 B12R1.37 COCOCCCn1cccc1 b7518a6170d5d1115d4e5701df43ccb1 [0,2,0,0,0,0|2,0,0]=4 6620 B12R1.37 COCOCCCn1cccn1 1a24bf247b216657065c30e2465abc6c [0,2,0,0,0,0|2,0,0]=4 6621 B12R1.37 COCOCCNc1cccs1 201ced5d8a6784c76d7a45ee7cfedd98 [0,2,0,0,0,0|1,0,0]=3 6622 B12R1.37 COCOCCNc1ccns1 74934ec568d2e0413b0cade2620c3745 [0,2,0,0,0,0|2,0,0]=4 6623 B12R1.37 COCOCCNc1cncs1 d88a5d4f1c02058055cabd161335c52d [0,2,0,0,0,0|2,0,0]=4 6624 B12R1.37 COCOCCNc1nccs1 4928b5bf09277721f39140f9f90dfeeb [0,2,0,0,0,0|2,0,0]=4 6625 B12R1.37 COCOCCOc1ccco1 28ffd6914d808dcc6789bd3c29268cad [0,2,0,0,0,0|1,1,0]=4 6626 B12R1.37 COCOCCOc1cccs1 866dc380688d86d0be86559e39817eb0 [0,2,0,0,0,0|1,0,0]=3 6627 B12R1.37 COCOCCOc1nccs1 cc30eeeaaea01b9125b8d153407f14e1 [0,2,0,0,0,0|2,0,0]=4 6628 B12R1.37 COCOCCSc1cccs1 1754cfa156e637621f8849d8d593838e [0,2,0,0,0,0|1,0,0]=3 6629 B12R1.37 CSCCCCNc1c[nH]cn1 2e0d519c1ecf4e2945d0240585b3b2f8 [0,2,0,0,0,0|2,0,0]=4 6630 B12R1.37 CSCCCCNc1cc[nH]n1 6613e2467bc2c14238e15a4951bc6826 [0,2,0,0,0,0|2,0,0]=4 6631 B12R1.37 CSCCCCNc1ccco1 aa4e809c87c093ed87de940e9d669ad4 [0,2,0,0,0,0|0,1,0]=3 6632 B12R1.37 CSCCCCNc1cccs1 64c6a5cee3cea07ecc62e3a65918cf9e [0,2,0,0,0,0|0,0,0]=2 6633 B12R1.37 CSCCCCNc1ccns1 77e4842eaf335c7aa8d2f3493fb9ba42 [0,2,0,0,0,0|1,0,0]=3 6634 B12R1.37 CSCCCCNc1ccoc1 e5b3a1c020ec445fcb8031271a4ab99d [0,2,0,0,0,0|2,0,0]=4 6635 B12R1.37 CSCCCCNc1ccon1 683a59901d54755580b94a758b09b4df [0,2,0,0,0,0|2,0,0]=4 6636 B12R1.37 CSCCCCNc1ccsc1 ac748ad03995b7d8cbce2659c214c631 [0,2,0,0,0,0|2,0,0]=4 6637 B12R1.37 CSCCCCNc1ccsn1 a3da48c91df47f41d333abfbae054e26 [0,2,0,0,0,0|2,0,0]=4 6638 B12R1.37 CSCCCCNc1cncs1 fc21b6ff31ee1072933a09ddfecec28d [0,2,0,0,0,0|1,0,0]=3 6639 B12R1.37 CSCCCCNc1cocn1 ee72c300e29f8525c2232271b7c0442d [0,2,0,0,0,0|2,0,0]=4 6640 B12R1.37 CSCCCCNc1ncc[nH]1 770184ce3967b20c3b41f03b1bfd5a58 [0,2,0,0,0,0|2,0,0]=4 6641 B12R1.37 CSCCCCNc1ncco1 2270bee5ce511b15727ae6cf4a8cbc06 [0,2,0,0,0,0|1,1,0]=4 6642 B12R1.37 CSCCCCNc1nccs1 a6cba94870f3dc63ebf3df3143b11cfc [0,2,0,0,0,0|1,0,0]=3 6643 B12R1.37 CSCCCCNc1ncns1 bb8398f114ba548da883b492cce2e0aa [0,2,0,0,0,0|2,0,0]=4 6644 B12R1.37 CSCCCNCc1cc[nH]c1 6a5d28b3f659166333663b0e8ea39cf2 [0,2,0,0,0,0|2,0,0]=4 6645 B12R1.37 CSCCCNCc1ccc[nH]1 dca43d85defa5f50a1b2e6f8f2cbe645 [0,2,0,0,0,0|1,0,0]=3 6646 B12R1.37 CSCCCNCc1ccco1 0972cab2b7cd3afc485c063000a36613 [0,2,0,0,0,0|0,1,0]=3 6647 B12R1.37 CSCCCNCc1cccs1 8e16de8a376dbf2644b757563994e63b [0,2,0,0,0,0|0,0,0]=2 6648 B12R1.37 CSCCCNCc1ccn[nH]1 7f92feb04bfebe61dbcbd8654defb576 [0,2,0,0,0,0|2,0,0]=4 6649 B12R1.37 CSCCCNCc1ccno1 77d0c0f89238f2db1effbafa1857ca05 [0,2,0,0,0,0|1,1,0]=4 6650 B12R1.37 CSCCCNCc1ccns1 b31e434635a4c69e54abb29b4d112add [0,2,0,0,0,0|1,0,0]=3 6651 B12R1.37 CSCCCNCc1ccoc1 d8ef1b01214720c9846832f3cf8deaa1 [0,2,0,0,0,0|2,0,0]=4 6652 B12R1.37 CSCCCNCc1ccon1 e027977d3871845daca6932b2f92b347 [0,2,0,0,0,0|2,0,0]=4 6653 B12R1.37 CSCCCNCc1ccsc1 049814003c5eb2e86836fc6608eebc0c [0,2,0,0,0,0|2,0,0]=4 6654 B12R1.37 CSCCCNCc1ccsn1 2bfdc4b3f696aed29b11b9eccfa6d6db [0,2,0,0,0,0|2,0,0]=4 6655 B12R1.37 CSCCCNCc1cnc[nH]1 41e3cccc48d4aac544543ca854ffd2d1 [0,2,0,0,0,0|2,0,0]=4 6656 B12R1.37 CSCCCNCc1cnco1 3c6a3fee28f6d2cb00b13ffe50cf771a [0,2,0,0,0,0|1,1,0]=4 6657 B12R1.37 CSCCCNCc1cncs1 0a39cdf4a6e5b7db8750d5184c6f6230 [0,2,0,0,0,0|1,0,0]=3 6658 B12R1.37 CSCCCNCc1cocn1 68f5d8312792c5c495ad7d54796b7b02 [0,2,0,0,0,0|2,0,0]=4 6659 B12R1.37 CSCCCNCc1cscn1 c980a7b5dbb1c59c49b2e0e99fdf14bc [0,2,0,0,0,0|2,0,0]=4 6660 B12R1.37 CSCCCNCc1ncc[nH]1 36e549191a2536fc55fd4bbbf1d785f8 [0,2,0,0,0,0|2,0,0]=4 6661 B12R1.37 CSCCCNCc1ncco1 66adfbdbc6ca9c22977c0c17e7b37b89 [0,2,0,0,0,0|1,1,0]=4 6662 B12R1.37 CSCCCNCc1nccs1 713cf0cb0f5f1703b11c642c66ee3918 [0,2,0,0,0,0|1,0,0]=3 6663 B12R1.37 CSCCCOCc1cc[nH]c1 7d87223b643d2ca70360a1f49ffc4757 [0,2,0,0,0,0|2,0,0]=4 6664 B12R1.37 CSCCCOCc1ccc[nH]1 770bdd2155eb7979476c2cec10c536a3 [0,2,0,0,0,0|1,0,0]=3 6665 B12R1.37 CSCCCOCc1ccco1 4f0b7708a6635a034617e5083f43cf43 [0,2,0,0,0,0|0,1,0]=3 6666 B12R1.37 CSCCCOCc1cccs1 45f72e10e681d35ec711aa3a13bd5321 [0,2,0,0,0,0|0,0,0]=2 6667 B12R1.37 CSCCCOCc1ccn[nH]1 1b0137928bb2bfd910461cd293962733 [0,2,0,0,0,0|2,0,0]=4 6668 B12R1.37 CSCCCOCc1ccno1 3353285ea060e7bc431a35ef6ff6c7a3 [0,2,0,0,0,0|1,1,0]=4 6669 B12R1.37 CSCCCOCc1ccns1 cdf35563edf4c1363d3dc9b5bc3d242f [0,2,0,0,0,0|1,0,0]=3 6670 B12R1.37 CSCCCOCc1ccoc1 696ab10771d02fc12969353e6832dd54 [0,2,0,0,0,0|2,0,0]=4 6671 B12R1.37 CSCCCOCc1ccon1 a263affe7b381f7f4eb2dc6f6d2f147e [0,2,0,0,0,0|2,0,0]=4 6672 B12R1.37 CSCCCOCc1ccsc1 3f526fb3ff02cd22bfb67b6dfc1035eb [0,2,0,0,0,0|2,0,0]=4 6673 B12R1.37 CSCCCOCc1ccsn1 4169c7225912d2a6dbc591b2bce1ba5d [0,2,0,0,0,0|2,0,0]=4 6674 B12R1.37 CSCCCOCc1cnc[nH]1 7482b5c8a440f87eae5628699090c91c [0,2,0,0,0,0|2,0,0]=4 6675 B12R1.37 CSCCCOCc1cnco1 6cbf2a46a43ba7b4f88a23ec48dfb180 [0,2,0,0,0,0|1,1,0]=4 6676 B12R1.37 CSCCCOCc1cncs1 1e15bc22a91241e1ea3b936cbe27d8ad [0,2,0,0,0,0|1,0,0]=3 6677 B12R1.37 CSCCCOCc1cocn1 31caba7c815a6d815911c9de371e85f3 [0,2,0,0,0,0|2,0,0]=4 6678 B12R1.37 CSCCCOCc1cscn1 9783dc5d1f524f056d2332ba4f88c253 [0,2,0,0,0,0|2,0,0]=4 6679 B12R1.37 CSCCCOCc1ncc[nH]1 f45281766d36505cc62b132d86bde9fd [0,2,0,0,0,0|2,0,0]=4 6680 B12R1.37 CSCCCOCc1ncco1 2c1734277c07c50213d01620b0260937 [0,2,0,0,0,0|1,1,0]=4 6681 B12R1.37 CSCCCOCc1nccs1 b058e33c04867aa8aa1f0adecfd8523d [0,2,0,0,0,0|1,0,0]=3 6682 B12R1.37 CSCCCOCc1ncns1 ed5a3222453bfa3e9bb53bfd0ba699c9 [0,2,0,0,0,0|2,0,0]=4 6683 B12R1.37 CSCCCOCn1cccn1 8f320d88c4de85d7da3deac50e6bb89f [0,2,0,0,0,0|2,0,0]=4 6684 B12R1.37 CSCCNCCc1c[nH]cn1 ca4f53ffb26e3ecfd47f9bed711a2af4 [0,2,0,0,0,0|2,0,0]=4 6685 B12R1.37 CSCCNCCc1cc[nH]n1 84f34d2ce955032f7a6783a1cb6def1b [0,2,0,0,0,0|2,0,0]=4 6686 B12R1.37 CSCCNCCc1ccc[nH]1 c6996dc8b47a5baef9b5c5819a73b67a [0,2,0,0,0,0|1,0,0]=3 6687 B12R1.37 CSCCNCCc1ccco1 d8a0c374df0e71b1c904d2bf1e71a1f2 [0,2,0,0,0,0|0,1,0]=3 6688 B12R1.37 CSCCNCCc1cccs1 d1bc245caba6ae073473052ad2b3854d [0,2,0,0,0,0|0,0,0]=2 6689 B12R1.37 CSCCNCCc1ccsc1 6edff3acafc8e929e608010672e61572 [0,2,0,0,0,0|2,0,0]=4 6690 B12R1.37 CSCCNCCc1cscn1 6ac37bbd2631dc193453584ec6ca404a [0,2,0,0,0,0|2,0,0]=4 6691 B12R1.37 CSCCNCCc1ncc[nH]1 fa14345bcb1f27c88c6829f6c9150620 [0,2,0,0,0,0|2,0,0]=4 6692 B12R1.37 CSCCNCCc1nccs1 f6cb50e7ebe8b74d17d741b78bb63d95 [0,2,0,0,0,0|1,0,0]=3 6693 B12R1.37 CSCCNCCc1nncs1 ed539c3eeadabdc20f3692be4a75df2d [0,2,0,0,0,0|2,0,0]=4 6694 B12R1.37 CSCCNCCn1cccc1 44876e16c557f45e67a1801bd1130e76 [0,2,0,0,0,0|2,0,0]=4 6695 B12R1.37 CSCCNCCn1cccn1 cece512171bda019a3687b792c46cfb0 [0,2,0,0,0,0|2,0,0]=4 6696 B12R1.37 CSCCOCCc1c[nH]cn1 10ca0986c0b1603fde614963cc83042c [0,2,0,0,0,0|2,0,0]=4 6697 B12R1.37 CSCCOCCc1cc[nH]n1 c72360f6528a9ce4a1020fd8ce2ff693 [0,2,0,0,0,0|2,0,0]=4 6698 B12R1.37 CSCCOCCc1ccc[nH]1 c1a559f498e400f07cfbda686f9517fa [0,2,0,0,0,0|1,0,0]=3 6699 B12R1.37 CSCCOCCc1ccco1 c31cc98bf1dd46e179f8e4d694311de9 [0,2,0,0,0,0|0,1,0]=3 6700 B12R1.37 CSCCOCCc1cccs1 8595457cd2f3854df2c868d56b09ab35 [0,2,0,0,0,0|0,0,0]=2 6701 B12R1.37 CSCCOCCc1ccoc1 33fc86659a1eb83b7f55e6a226c350ab [0,2,0,0,0,0|2,0,0]=4 6702 B12R1.37 CSCCOCCc1ccon1 6943c6c8f73d068b6486392ec8c78541 [0,2,0,0,0,0|2,0,0]=4 6703 B12R1.37 CSCCOCCc1ccsc1 150c3b2bed246ea4fb35dcbc458c75d1 [0,2,0,0,0,0|2,0,0]=4 6704 B12R1.37 CSCCOCCc1cscn1 b2560d7e15f4fe7b09cf11ef597d5473 [0,2,0,0,0,0|2,0,0]=4 6705 B12R1.37 CSCCOCCc1ncc[nH]1 bf182ce97f17c01d05d90cf12e1ea5ff [0,2,0,0,0,0|2,0,0]=4 6706 B12R1.37 CSCCOCCc1nccs1 5e5c3d7fbfa2e05513c09e8d3be8549a [0,2,0,0,0,0|1,0,0]=3 6707 B12R1.37 CSCCOCCn1cccc1 bf5548e0473111abedbfcd4e5dd6c2e2 [0,2,0,0,0,0|2,0,0]=4 6708 B12R1.37 CSCCOCCn1cccn1 77c97eae60aa897ff52bd92ba26c9896 [0,2,0,0,0,0|2,0,0]=4 6709 B12R1.37 CSCNCCCc1c[nH]cn1 47c07b735bd2ee38b989ef45f352c747 [0,2,0,0,0,0|2,0,0]=4 6710 B12R1.37 CSCNCCCc1ccco1 ed21c1aa8508f7d379a827bada10a5c7 [0,2,0,0,0,0|0,1,0]=3 6711 B12R1.37 CSCNCCCc1cccs1 baa37b2df800c9c19d52adff40a3f0ac [0,2,0,0,0,0|0,0,0]=2 6712 B12R1.37 CSCNCCCc1ncc[nH]1 030d7aa3a4d2b5b4781afa0963017571 [0,2,0,0,0,0|2,0,0]=4 6713 B12R1.37 CSCNCCCn1cccc1 d132875f9f5448fc60f2f2dd5d6d6744 [0,2,0,0,0,0|2,0,0]=4 6714 B12R1.37 CSCNCCCn1cccn1 32bf9cc1ce2a78fb145bdf54dc0ebb6e [0,2,0,0,0,0|2,0,0]=4 6715 B12R1.37 CSCOCCCc1ccco1 f6d3ef932b730bc7e5dcd9b4ad908d8f [0,2,0,0,0,0|0,1,0]=3 6716 B12R1.37 CSCOCCCc1cccs1 f659fcbb1ffbc25f7f40f80e5e592b65 [0,2,0,0,0,0|0,0,0]=2 6717 B12R1.37 CSCOCCCc1ccsc1 03641b830b94b1a499f0ee61e50f8916 [0,2,0,0,0,0|2,0,0]=4 6718 B12R1.37 CSCOCCCc1cnc[nH]1 25b29724577feb1f49c75fa653251cc1 [0,2,0,0,0,0|2,0,0]=4 6719 B12R1.37 CSCOCCCn1cccc1 16c3483ed8104f77f71308ddad09b7db [0,2,0,0,0,0|2,0,0]=4 6720 B12R1.37 CSCOCCCn1cccn1 0d9ccfd73212a998511f9d96e4b3f661 [0,2,0,0,0,0|2,0,0]=4 6721 B12R1.37 Cl/C=C/CNCCc1cccs1 ee188e52e25290c01071b67e126c8de8 [0,2,0,0,0,0|0,0,2]=4 6722 B12R1.37 Cl/C=C/COCCc1cccs1 3bc9712126b0bff2e8295cee9964f38b [0,2,0,0,0,0|0,0,2]=4 6723 B12R1.37 Cl/C=C\CNCCc1cccs1 95f6de0b37730a35980d9449e13eb214 [0,2,0,0,0,0|0,0,2]=4 6724 B12R1.37 Cl/C=C\COCCc1cccs1 477bec9b4661dab7ad97375ef1baa7eb [0,2,0,0,0,0|0,0,2]=4 6725 B12R1.37 ClC=CCOCCc1cccs1 0f6436866086932d736b2f21c359ce1f [0,2,0,0,0,0|0,0,2]=4 6726 B12R1.37 ClCCCCCNc1c[nH]cn1 478c92b34bf61acf24dd8d83daa75d84 [0,2,0,0,0,0|2,0,0]=4 6727 B12R1.37 ClCCCCCNc1cc[nH]n1 99e89ab7a99052271a3f3184961100f7 [0,2,0,0,0,0|2,0,0]=4 6728 B12R1.37 ClCCCCCNc1ccco1 26e3b4b29d7d715b2446401bef315908 [0,2,0,0,0,0|0,1,0]=3 6729 B12R1.37 ClCCCCCNc1cccs1 b9288760f3b2f82bcca49156deffd949 [0,2,0,0,0,0|0,0,0]=2 6730 B12R1.37 ClCCCCCNc1ccno1 8e2d915000c4d2ad9dfaeccfef986733 [0,2,0,0,0,0|1,1,0]=4 6731 B12R1.37 ClCCCCCNc1ccns1 d7d17d742295df06e713e60987a7aaad [0,2,0,0,0,0|1,0,0]=3 6732 B12R1.37 ClCCCCCNc1ccoc1 0f3b4d66fb88f3425530bb63faf3644b [0,2,0,0,0,0|2,0,0]=4 6733 B12R1.37 ClCCCCCNc1ccon1 0bc82e524f859347602904f08d1b8bf2 [0,2,0,0,0,0|2,0,0]=4 6734 B12R1.37 ClCCCCCNc1ccsc1 9930ac323e82b7d93954bd83a6d84cfd [0,2,0,0,0,0|2,0,0]=4 6735 B12R1.37 ClCCCCCNc1ccsn1 20ae534dd4ac8a9a539470665f5ca488 [0,2,0,0,0,0|2,0,0]=4 6736 B12R1.37 ClCCCCCNc1cncs1 32b7f9c90bc8e4c8b85d9129c063ad7f [0,2,0,0,0,0|1,0,0]=3 6737 B12R1.37 ClCCCCCNc1cocn1 34279e29a596d3bf0e9fa3316be22a60 [0,2,0,0,0,0|2,0,0]=4 6738 B12R1.37 ClCCCCCNc1cscn1 9afafe215039c96893d4a8ec2248414c [0,2,0,0,0,0|2,0,0]=4 6739 B12R1.37 ClCCCCCNc1ncc[nH]1 a4cd2fa3eadb115a8ff3233060d9e047 [0,2,0,0,0,0|2,0,0]=4 6740 B12R1.37 ClCCCCCNc1ncco1 6d17b156336d41bb9e735c47eb685b22 [0,2,0,0,0,0|1,1,0]=4 6741 B12R1.37 ClCCCCCNc1nccs1 a87b153ef33616bce218bd819e1eef25 [0,2,0,0,0,0|1,0,0]=3 6742 B12R1.37 ClCCCCCNc1ncns1 398a27f50b54faf18f6964a14d5dbd07 [0,2,0,0,0,0|2,0,0]=4 6743 B12R1.37 ClCCCCCNc1nncs1 15a28fdb6eaf6e5fe9beae826b8508ba [0,2,0,0,0,0|2,0,0]=4 6744 B12R1.37 ClCCCCNCc1ccco1 981290bef02babd82373f9376ec0dab2 [0,2,0,0,0,0|0,1,0]=3 6745 B12R1.37 ClCCCCNCc1cccs1 82bb18bd4047a6a2c8bd3536f5e6ee8d [0,2,0,0,0,0|0,0,0]=2 6746 B12R1.37 ClCCCCNCc1ccno1 3c4b3f4b85f78967409f1e8ac7b1f791 [0,2,0,0,0,0|1,1,0]=4 6747 B12R1.37 ClCCCCNCc1ccon1 a97f72e6f0c67f4eb49c43e00326f311 [0,2,0,0,0,0|2,0,0]=4 6748 B12R1.37 ClCCCCNCc1ccsc1 ecabefec97b161fde4af58549c7bcacf [0,2,0,0,0,0|2,0,0]=4 6749 B12R1.37 ClCCCCNCc1cnc[nH]1 68a69ad1b77f7e69e7d50b5368fa3abb [0,2,0,0,0,0|2,0,0]=4 6750 B12R1.37 ClCCCCNCc1cnco1 812e712a2509460e8d296df20b479af0 [0,2,0,0,0,0|1,1,0]=4 6751 B12R1.37 ClCCCCNCc1cocn1 e5f4c32fe6ee0068508102737891e6d6 [0,2,0,0,0,0|2,0,0]=4 6752 B12R1.37 ClCCCCNCc1cscn1 cd5c945d1b8eba6ab0aad1575cc17adf [0,2,0,0,0,0|2,0,0]=4 6753 B12R1.37 ClCCCCNCc1ncc[nH]1 e64332dd6ff4dad1f258f6a2ab135c90 [0,2,0,0,0,0|2,0,0]=4 6754 B12R1.37 ClCCCCNCc1ncco1 eb081fea3e58e7f9546f52d8cb57ef71 [0,2,0,0,0,0|1,1,0]=4 6755 B12R1.37 ClCCCCNCc1nccs1 e00aba01f3af6ed573d73311f0fe8a50 [0,2,0,0,0,0|1,0,0]=3 6756 B12R1.37 ClCCCNCCc1c[nH]cn1 e8beb93a34623f91a7b79b821f0fea22 [0,2,0,0,0,0|2,0,0]=4 6757 B12R1.37 ClCCCNCCc1cccs1 5da52b6b1738dc3479d9945c1a7636fe [0,2,0,0,0,0|0,0,0]=2 6758 B12R1.37 ClCCCNCCc1ccn[nH]1 d10ae645163d05c8452345dcacdd72a2 [0,2,0,0,0,0|2,0,0]=4 6759 B12R1.37 ClCCCNCCc1ccsc1 e7b1f1bb4bf385f18cd8d6e484dada2f [0,2,0,0,0,0|2,0,0]=4 6760 B12R1.37 ClCCCNCCc1cscn1 88edcf0180085ea92e61c73ee920257b [0,2,0,0,0,0|2,0,0]=4 6761 B12R1.37 ClCCCNCCn1cccc1 2c181dd4d15a27d015635be8e23f278d [0,2,0,0,0,0|2,0,0]=4 6762 B12R1.37 ClCCCNCCn1cccn1 9dd9c246a8365a0bb0a042e3e1568330 [0,2,0,0,0,0|2,0,0]=4 6763 B12R1.37 FCCCCCNc1cc[nH]n1 b3f236351e8060cb0eb1d43bc60d2874 [0,2,0,0,0,0|2,0,0]=4 6764 B12R1.37 FCCCCCNc1cccs1 d86da8d65ec85d3266ab0323ba86eaa4 [0,2,0,0,0,0|0,0,0]=2 6765 B12R1.37 FCCCCCNc1ccno1 fd8fc9c79de21b17994d23c6a347f1d1 [0,2,0,0,0,0|1,1,0]=4 6766 B12R1.37 FCCCCCNc1ccns1 0d69ee75fd227e1542759ed092c7e66b [0,2,0,0,0,0|1,0,0]=3 6767 B12R1.37 FCCCCCNc1ccon1 82d83dd94a649407e8d841c104562ba9 [0,2,0,0,0,0|2,0,0]=4 6768 B12R1.37 FCCCCCNc1ccsc1 87d35e89e2e0e5d5d687d29c7657581a [0,2,0,0,0,0|2,0,0]=4 6769 B12R1.37 FCCCCCNc1cncs1 b41f0b457763750c33c848592197912e [0,2,0,0,0,0|1,0,0]=3 6770 B12R1.37 FCCCCCNc1cocn1 c45424b8095543b00b01b2bb3348b49e [0,2,0,0,0,0|2,0,0]=4 6771 B12R1.37 FCCCCCNc1cscn1 485e493e4cf65f34652fe0d98f003cb3 [0,2,0,0,0,0|2,0,0]=4 6772 B12R1.37 FCCCCCNc1ncc[nH]1 15d118cf6796106ac373f51b71476a6c [0,2,0,0,0,0|2,0,0]=4 6773 B12R1.37 FCCCCCNc1ncco1 84eb2c99f6faa36f5df93a129dee5621 [0,2,0,0,0,0|1,1,0]=4 6774 B12R1.37 FCCCCCNc1nccs1 4f5f75f30744149a7c4af026ae5c03f5 [0,2,0,0,0,0|1,0,0]=3 6775 B12R1.37 FCCCCCNc1ncns1 c45df433a71a650377c1348dff81fc84 [0,2,0,0,0,0|2,0,0]=4 6776 B12R1.37 FCCCCCNc1nncs1 3fd1660c451405a88f868fb26e86d893 [0,2,0,0,0,0|2,0,0]=4 6777 B12R1.37 FCCCCCOc1c[nH]cn1 a256e9cdeb80dca7734713a97049acf7 [0,2,0,0,0,0|2,0,0]=4 6778 B12R1.37 FCCCCCOc1ccco1 96bdcddab9c00c7de8e25fc7de70ff24 [0,2,0,0,0,0|0,1,0]=3 6779 B12R1.37 FCCCCCOc1cccs1 ff4c9406a14470a0f82f54cc5f0a2d18 [0,2,0,0,0,0|0,0,0]=2 6780 B12R1.37 FCCCCCOc1ccn[nH]1 338e112e3b37d57f4a561109020108f3 [0,2,0,0,0,0|2,0,0]=4 6781 B12R1.37 FCCCCCOc1ccsc1 e6b66abc5d149c9c484ca14b96481bb1 [0,2,0,0,0,0|2,0,0]=4 6782 B12R1.37 FCCCCCOc1nccs1 cd4bf92899475572420012e4d22baee2 [0,2,0,0,0,0|1,0,0]=3 6783 B12R1.37 FCCCCCOc1nncs1 dacce6838c92958ac1ecc27da11fbca5 [0,2,0,0,0,0|2,0,0]=4 6784 B12R1.37 FCCCCCOn1cccn1 bb7e24b87b2077b577cde72fd9a3d576 [0,2,0,0,0,0|2,0,0]=4 6785 B12R1.37 FCCCCNCc1cc[nH]c1 a881b2434a7f75572f4df02b11d39ada [0,2,0,0,0,0|2,0,0]=4 6786 B12R1.37 FCCCCNCc1ccc[nH]1 61322bcd9ed8d788326dd657df2a194d [0,2,0,0,0,0|1,0,0]=3 6787 B12R1.37 FCCCCNCc1ccco1 bb966a5a97a6a2d2833b5f15d8341035 [0,2,0,0,0,0|0,1,0]=3 6788 B12R1.37 FCCCCNCc1cccs1 052d39ba5df9dc17403fa473aaf644d4 [0,2,0,0,0,0|0,0,0]=2 6789 B12R1.37 FCCCCNCc1ccn[nH]1 f50ba7319b4ca176057dbd5ca5bc87b5 [0,2,0,0,0,0|2,0,0]=4 6790 B12R1.37 FCCCCNCc1ccno1 7a3a285d2c4291ddf47805b683a82b6a [0,2,0,0,0,0|1,1,0]=4 6791 B12R1.37 FCCCCNCc1ccns1 2115414db21bd9f9e37f74d7fdf991cf [0,2,0,0,0,0|1,0,0]=3 6792 B12R1.37 FCCCCNCc1ccoc1 ae6aaad04e006f82f8e81b864275fd5c [0,2,0,0,0,0|2,0,0]=4 6793 B12R1.37 FCCCCNCc1ccon1 2a899b237f37eb16ca68df79edefca50 [0,2,0,0,0,0|2,0,0]=4 6794 B12R1.37 FCCCCNCc1ccsc1 21a1f45b778dce577a4b5b214db1cc23 [0,2,0,0,0,0|2,0,0]=4 6795 B12R1.37 FCCCCNCc1ccsn1 df7b3d31559bcbf334975e162c5db358 [0,2,0,0,0,0|2,0,0]=4 6796 B12R1.37 FCCCCNCc1cnco1 9e49d29b40933b8e8757c05157acadcc [0,2,0,0,0,0|1,1,0]=4 6797 B12R1.37 FCCCCNCc1cncs1 4ac2927e1224034cbb6cc6711ec71772 [0,2,0,0,0,0|1,0,0]=3 6798 B12R1.37 FCCCCNCc1cocn1 d8fb3d82ccb615db77779d8253ad45cf [0,2,0,0,0,0|2,0,0]=4 6799 B12R1.37 FCCCCNCc1cscn1 1fa4825a61df2105eed0c4b74bf76e4c [0,2,0,0,0,0|2,0,0]=4 6800 B12R1.37 FCCCCNCc1ncc[nH]1 f7add090fcf15d69a6dc2dd675dae54a [0,2,0,0,0,0|2,0,0]=4 6801 B12R1.37 FCCCCNCc1ncco1 feeeb5d1b1709da947a58c37f8b53078 [0,2,0,0,0,0|1,1,0]=4 6802 B12R1.37 FCCCCNCc1nccs1 e0f4b74a37f43078cb0b1f536e44cffe [0,2,0,0,0,0|1,0,0]=3 6803 B12R1.37 FCCCCOCc1cc[nH]c1 88b40ceed73dea13bf477884c9af43b2 [0,2,0,0,0,0|2,0,0]=4 6804 B12R1.37 FCCCCOCc1ccc[nH]1 82efb445daffde01ac34aeaacf95d541 [0,2,0,0,0,0|1,0,0]=3 6805 B12R1.37 FCCCCOCc1ccco1 4c79e9c50f451e743676d5f49293a6e3 [0,2,0,0,0,0|0,1,0]=3 6806 B12R1.37 FCCCCOCc1cccs1 868950920c08153e55c0136ca4fec3e8 [0,2,0,0,0,0|0,0,0]=2 6807 B12R1.37 FCCCCOCc1ccn[nH]1 8741b811b87c094cf4c80e69cb0684f6 [0,2,0,0,0,0|2,0,0]=4 6808 B12R1.37 FCCCCOCc1ccno1 8334ea762e28785b3b8e2a2eb27b2609 [0,2,0,0,0,0|1,1,0]=4 6809 B12R1.37 FCCCCOCc1ccns1 b410fee4bac5cc8acb969edcacb73cfc [0,2,0,0,0,0|1,0,0]=3 6810 B12R1.37 FCCCCOCc1ccoc1 76d160171b10ce97a6b65477ad639455 [0,2,0,0,0,0|2,0,0]=4 6811 B12R1.37 FCCCCOCc1ccon1 1412196ddc34f577dafc0d00a1013ccd [0,2,0,0,0,0|2,0,0]=4 6812 B12R1.37 FCCCCOCc1ccsc1 138036ce1101fb98cb901b95f0c40bea [0,2,0,0,0,0|2,0,0]=4 6813 B12R1.37 FCCCCOCc1ccsn1 c2ce49942cd0c02c6bfa7fbed632a09d [0,2,0,0,0,0|2,0,0]=4 6814 B12R1.37 FCCCCOCc1cnc[nH]1 570193dade5d2ebf7a9e2eb9c335cc94 [0,2,0,0,0,0|2,0,0]=4 6815 B12R1.37 FCCCCOCc1cnco1 e9e4c9abdf7fd6a680922f62f24a58c1 [0,2,0,0,0,0|1,1,0]=4 6816 B12R1.37 FCCCCOCc1cncs1 5522e61b8c66e824a71e5a76ae08e8b6 [0,2,0,0,0,0|1,0,0]=3 6817 B12R1.37 FCCCCOCc1cocn1 50364a50a4f60f555af7fbfafd91e179 [0,2,0,0,0,0|2,0,0]=4 6818 B12R1.37 FCCCCOCc1cscn1 50bd2b71001f48e9d2c5b44164c17e0c [0,2,0,0,0,0|2,0,0]=4 6819 B12R1.37 FCCCCOCc1ncc[nH]1 302b1ecf391a476780aa7236428cd5f0 [0,2,0,0,0,0|2,0,0]=4 6820 B12R1.37 FCCCCOCc1ncco1 170cab96635cb9f6964e06305bcaaf98 [0,2,0,0,0,0|1,1,0]=4 6821 B12R1.37 FCCCCOCc1nccs1 fabc817f072f2a93f8377ee08804f313 [0,2,0,0,0,0|1,0,0]=3 6822 B12R1.37 FCCCCOCc1ncns1 cb8b3d52230c247382a73fd5ecf0cc01 [0,2,0,0,0,0|2,0,0]=4 6823 B12R1.37 FCCCCOCn1cccn1 9b80233bda78f7cb26d2ea6dc59c5e75 [0,2,0,0,0,0|2,0,0]=4 6824 B12R1.37 FCCCNCCc1c[nH]cn1 8c71fa12226017abdfa22d2f175e7b3c [0,2,0,0,0,0|2,0,0]=4 6825 B12R1.37 FCCCNCCc1cc[nH]n1 92cda38d2320a657a77548cde5e9c4ba [0,2,0,0,0,0|2,0,0]=4 6826 B12R1.37 FCCCNCCc1ccc[nH]1 101ead9db6f8762a33cb6b354e06dc82 [0,2,0,0,0,0|1,0,0]=3 6827 B12R1.37 FCCCNCCc1ccco1 e56479f48dc6ad84371a2a4db51f3710 [0,2,0,0,0,0|0,1,0]=3 6828 B12R1.37 FCCCNCCc1cccs1 3278098e3928200abd212000f42e51d0 [0,2,0,0,0,0|0,0,0]=2 6829 B12R1.37 FCCCNCCc1ccsc1 b9b9a66ab6ad15bdb6a77383811c72fb [0,2,0,0,0,0|2,0,0]=4 6830 B12R1.37 FCCCNCCc1cscn1 6cd52d9d0fd40ad0ecc61b160b234acc [0,2,0,0,0,0|2,0,0]=4 6831 B12R1.37 FCCCNCCc1ncc[nH]1 e0b70e216b99777e6735bca8d9c77b14 [0,2,0,0,0,0|2,0,0]=4 6832 B12R1.37 FCCCNCCc1nccs1 492e7effb5f9574df7219a7efade7933 [0,2,0,0,0,0|1,0,0]=3 6833 B12R1.37 FCCCNCCc1nncs1 c2d29c49adf4b961c46c8513c24e0531 [0,2,0,0,0,0|2,0,0]=4 6834 B12R1.37 FCCCNCCn1cccc1 fb40343b0aa385189183aed7b1d52c71 [0,2,0,0,0,0|2,0,0]=4 6835 B12R1.37 FCCCNCCn1cccn1 3b01ec0c6cc9f2c061798bd9d54d6ae8 [0,2,0,0,0,0|2,0,0]=4 6836 B12R1.37 FCCCOCCc1c[nH]cn1 c9c5a06af868ae83ce4f27817f295bf3 [0,2,0,0,0,0|2,0,0]=4 6837 B12R1.37 FCCCOCCc1cc[nH]n1 a418b7318a5107146d74fc4d79df1f14 [0,2,0,0,0,0|2,0,0]=4 6838 B12R1.37 FCCCOCCc1ccc[nH]1 4d84df59827e2989f1b4ccdc5c3f484a [0,2,0,0,0,0|1,0,0]=3 6839 B12R1.37 FCCCOCCc1ccco1 339c609084b39547c8023170ffcf641f [0,2,0,0,0,0|0,1,0]=3 6840 B12R1.37 FCCCOCCc1cccs1 25c2cfaa29877e1ab22058401c3445ef [0,2,0,0,0,0|0,0,0]=2 6841 B12R1.37 FCCCOCCc1ccoc1 6dabb22d0a8cef93162677af632a5836 [0,2,0,0,0,0|2,0,0]=4 6842 B12R1.37 FCCCOCCc1ccon1 b736cc0d610927b487a126510af06001 [0,2,0,0,0,0|2,0,0]=4 6843 B12R1.37 FCCCOCCc1ccsc1 9ffb2a7a2b41888b57f96eaf746c86f2 [0,2,0,0,0,0|2,0,0]=4 6844 B12R1.37 FCCCOCCc1cscn1 3ce1f2c4f013761d6752239b29245ac3 [0,2,0,0,0,0|2,0,0]=4 6845 B12R1.37 FCCCOCCc1ncc[nH]1 e959fbc32df11cdda9248e5c13a7834f [0,2,0,0,0,0|2,0,0]=4 6846 B12R1.37 FCCCOCCc1nccs1 57cc6c7b84bbb86ef2853884d34b4453 [0,2,0,0,0,0|1,0,0]=3 6847 B12R1.37 FCCCOCCn1cccc1 5b1dcfc722ab4b6337a5d1b8bd6757b4 [0,2,0,0,0,0|2,0,0]=4 6848 B12R1.37 FCCCOCCn1cccn1 862ceac2963db9297450e9b6cbf3f003 [0,2,0,0,0,0|2,0,0]=4 6849 B12R1.37 FCCNCCCc1c[nH]cn1 5a5bc8a3cd6c36b2d5a957f6bf40f19a [0,2,0,0,0,0|2,0,0]=4 6850 B12R1.37 FCCNCCCc1ccco1 37e49aeb223ac7568924f9e52ba01e7d [0,2,0,0,0,0|0,1,0]=3 6851 B12R1.37 FCCNCCCc1cccs1 c9aad3d21ffa3ee0ee82f68be0dd3696 [0,2,0,0,0,0|0,0,0]=2 6852 B12R1.37 FCCNCCCc1ccsc1 ac11486c59c489a423dfff8f44e5e84a [0,2,0,0,0,0|2,0,0]=4 6853 B12R1.37 FCCNCCCc1ncc[nH]1 a7b84594843a3bf63154f1d16f6b056d [0,2,0,0,0,0|2,0,0]=4 6854 B12R1.37 FCCNCCCn1cccc1 3fb8a83c3dc9ba9dd629f1d7927699d6 [0,2,0,0,0,0|2,0,0]=4 6855 B12R1.37 FCCNCCCn1cccn1 29e8a9db7c9106242b71dd7def584c83 [0,2,0,0,0,0|2,0,0]=4 6856 B12R1.37 FCCOCCCc1ccco1 b0e4716977502b42451e56f973758aee [0,2,0,0,0,0|0,1,0]=3 6857 B12R1.37 FCCOCCCc1cccs1 df9f5b96ca4b8f4a4b5fe67aaca86469 [0,2,0,0,0,0|0,0,0]=2 6858 B12R1.37 FCCOCCCc1ccsc1 3c78263f32a964f92b4da2a133a0315c [0,2,0,0,0,0|2,0,0]=4 6859 B12R1.37 FCCOCCCc1cnc[nH]1 78f3e6c501166d24f4bc61470fa92b2d [0,2,0,0,0,0|2,0,0]=4 6860 B12R1.37 FCCOCCCn1cccc1 4ba7e31e21e1546390f0bff99485d92c [0,2,0,0,0,0|2,0,0]=4 6861 B12R1.37 FCCOCCCn1cccn1 781f94c7d5ff3ba3ea947586361d66b2 [0,2,0,0,0,0|2,0,0]=4 6862 B12R1.37 FCCOCCSc1cccs1 26b779488e319c2346c1a22e26dc9ccf [0,2,0,0,0,0|1,0,0]=3 6863 B12R1.37 FCNCCCCc1cnc[nH]1 cfbb4ed2a078f01c4a63b9ae5746ebb4 [0,2,0,0,0,0|2,0,0]=4 6864 B12R1.37 FCOCCCCn1cccn1 889c0a9c84b05c2423b9b3dfc3cb1244 [0,2,0,0,0,0|2,0,0]=4 6865 B12R1.37 IC#CCOCCc1cccs1 f9a5d43fca1d83b0deebd2a114130ea9 [0,2,0,0,0,0|0,0,2]=4 6866 B12R1.37 ICCNCCCc1cccs1 481cd98c905b7e8b029075a2dc89aa54 [0,2,0,0,0,0|0,0,0]=2 6867 B12R1.37 ICCNCCCc1ccsc1 1923a65919df7ca7bf39120488503b40 [0,2,0,0,0,0|2,0,0]=4 6868 B12R1.37 ICCNCCCn1cccc1 4fef34f21d96dbcf4773fd5af227287c [0,2,0,0,0,0|2,0,0]=4 6869 B12R1.37 ICCNCCCn1cccn1 e5e8c1cd90cb60dae20862e43e55abdf [0,2,0,0,0,0|2,0,0]=4 6870 B12R1.37 N#CCCCCNc1ccco1 5f09a3cbeaf040c23261b549af587e35 [0,2,0,0,0,0|0,1,1]=4 6871 B12R1.37 N#CCCCCNc1cccs1 0948e59d76a971704994cac9792b07e5 [0,2,0,0,0,0|0,0,1]=3 6872 B12R1.37 N#CCCCCNc1ccns1 ac17dd3f8b93eda082413b7855f166b5 [0,2,0,0,0,0|1,0,1]=4 6873 B12R1.37 N#CCCCCNc1cncs1 adc4660f83bc0b0bc1457b7394756949 [0,2,0,0,0,0|1,0,1]=4 6874 B12R1.37 N#CCCCCNc1nccs1 a71bfc62edf42666411d1dad1e9c87bd [0,2,0,0,0,0|1,0,1]=4 6875 B12R1.37 N#CCCCCOc1ccco1 b7e2c2b56fe206bdbb561be35f6b80e4 [0,2,0,0,0,0|0,1,1]=4 6876 B12R1.37 N#CCCCCOc1cccs1 bdc6773db064671c82fc8f311c0b7214 [0,2,0,0,0,0|0,0,1]=3 6877 B12R1.37 N#CCCCCOc1nccs1 339e4a983a4034e6506d18ea445441a3 [0,2,0,0,0,0|1,0,1]=4 6878 B12R1.37 N#CCCCNCc1ccc[nH]1 a2519f10571589ea2c07fd5ffa73be06 [0,2,0,0,0,0|1,0,1]=4 6879 B12R1.37 N#CCCCNCc1ccco1 e5e2baa9ac4aadc9fb3bb92d9ddf5bac [0,2,0,0,0,0|0,1,1]=4 6880 B12R1.37 N#CCCCNCc1cccs1 894841146cf03a4aeca9682a9b3e571d [0,2,0,0,0,0|0,0,1]=3 6881 B12R1.37 N#CCCCNCc1ccns1 fb4cb1c9b9840e823cd9aacdc0372aca [0,2,0,0,0,0|1,0,1]=4 6882 B12R1.37 N#CCCCNCc1cncs1 852a1d1d39067683bcc057a3ea16b4ab [0,2,0,0,0,0|1,0,1]=4 6883 B12R1.37 N#CCCCNCc1nccs1 d7ae6f4356c1c8675432be480592affc [0,2,0,0,0,0|1,0,1]=4 6884 B12R1.37 N#CCCCOCc1ccc[nH]1 e83ed0965fb5cde67486db6be6e98a33 [0,2,0,0,0,0|1,0,1]=4 6885 B12R1.37 N#CCCCOCc1ccco1 623c3f0c5a8f81cbaf7ac4d67d11f1af [0,2,0,0,0,0|0,1,1]=4 6886 B12R1.37 N#CCCCOCc1cccs1 a4ac0b9d34d982b63a7d6a7c45f14f39 [0,2,0,0,0,0|0,0,1]=3 6887 B12R1.37 N#CCCCOCc1ccns1 e5803c967d0b54bd74a040a3a947a427 [0,2,0,0,0,0|1,0,1]=4 6888 B12R1.37 N#CCCCOCc1cncs1 6b4a67fb43f305b46ab5c3a352e44458 [0,2,0,0,0,0|1,0,1]=4 6889 B12R1.37 N#CCCCOCc1nccs1 43d12d24f7defb9f5e4c4c661032c734 [0,2,0,0,0,0|1,0,1]=4 6890 B12R1.37 N#CCCNCCc1ccc[nH]1 9adb06a85ec2cbebd0ea341fef38fc45 [0,2,0,0,0,0|1,0,1]=4 6891 B12R1.37 N#CCCNCCc1ccco1 1283577b53d1a9f77475f3d912f7a657 [0,2,0,0,0,0|0,1,1]=4 6892 B12R1.37 N#CCCNCCc1cccs1 18b9b0fdf11186168b6156ff9271af9b [0,2,0,0,0,0|0,0,1]=3 6893 B12R1.37 N#CCCNCCc1nccs1 5ad2c35c95f31073f4b01b89e067c548 [0,2,0,0,0,0|1,0,1]=4 6894 B12R1.37 N#CCCOCCc1ccc[nH]1 f81371ea4bc021e7a7c01889a768ec89 [0,2,0,0,0,0|1,0,1]=4 6895 B12R1.37 N#CCCOCCc1ccco1 57a76ef83a231636fda9fc8d6e1363c7 [0,2,0,0,0,0|0,1,1]=4 6896 B12R1.37 N#CCCOCCc1cccs1 d6ef09085096487ed47cd101ea419de0 [0,2,0,0,0,0|0,0,1]=3 6897 B12R1.37 N#CCCOCCc1nccs1 51912207c1cc956a81e8925032c6f989 [0,2,0,0,0,0|1,0,1]=4 6898 B12R1.37 N#CCNCCCc1ccco1 0e756afad21e4d4980194b7112cd5914 [0,2,0,0,0,0|0,1,1]=4 6899 B12R1.37 N#CCNCCCc1cccs1 9341a82d62ed90c8c2026f2f9643857d [0,2,0,0,0,0|0,0,1]=3 6900 B12R1.37 N#CCOCCCc1ccco1 e68e7f9d0d739f8cdb900322304cc984 [0,2,0,0,0,0|0,1,1]=4 6901 B12R1.37 N#CCOCCCc1cccs1 2c06b9d8e6659934109fdbe3b30b5daa [0,2,0,0,0,0|0,0,1]=3 6902 B12R1.37 N#CCOCCNc1cccs1 78dbbc9dafe68a1c3903024be77799f9 [0,2,0,0,0,0|1,0,1]=4 6903 B12R1.37 N#CCOCCOc1cccs1 19ad3a4e7c362fa90242cece1f180a4f [0,2,0,0,0,0|1,0,1]=4 6904 B12R1.37 N#CCOCCSc1cccs1 2e26577b3dd1f4dec878161ba7eccee7 [0,2,0,0,0,0|1,0,1]=4 6905 B12R1.37 NOCCCCNc1cccs1 931c3449acf84216270b948c4bb96065 [0,2,0,0,0,0|1,0,0]=3 6906 B12R1.37 NOCCCCNc1ccns1 a6dc9ce4e0e7a09c4553061efe50a38b [0,2,0,0,0,0|2,0,0]=4 6907 B12R1.37 NOCCCCNc1cncs1 9c40a75eb73a30573ba7a996cdb81014 [0,2,0,0,0,0|2,0,0]=4 6908 B12R1.37 NOCCCCNc1nccs1 431ac42ab36ce148dcb3c44827954349 [0,2,0,0,0,0|2,0,0]=4 6909 B12R1.37 NOCCNCCc1cccs1 ddee648380e333a0851beb17641f2fcb [0,2,0,0,0,0|1,0,0]=3 6910 B12R1.37 O/C=C\CNCCc1cccs1 d86ea23dfa2207d686b54becfd95eb3c [0,2,0,0,0,0|0,0,2]=4 6911 B12R1.37 O=CCCCCNc1cccs1 0d3af3db82b8a97ac88f46698f2064b6 [0,2,0,0,0,0|0,0,1]=3 6912 B12R1.37 O=CCCCCNc1ccns1 1efaf91b8b5af7864f943fce10c3d17f [0,2,0,0,0,0|1,0,1]=4 6913 B12R1.37 O=CCCCCNc1cncs1 8a104cb992354a90a6d6f3f0fb7bb68d [0,2,0,0,0,0|1,0,1]=4 6914 B12R1.37 O=CCCCCNc1nccs1 cbd82963614dca49b9cb9a72ca8da63a [0,2,0,0,0,0|1,0,1]=4 6915 B12R1.37 O=CCCCCOc1ccco1 cd2315efdd4626498ecfd2f75c070d14 [0,2,0,0,0,0|0,1,1]=4 6916 B12R1.37 O=CCCCCOc1cccs1 1d0d5df799f4bf7a988de07681d30815 [0,2,0,0,0,0|0,0,1]=3 6917 B12R1.37 O=CCCCCOc1nccs1 9c8f2a2175a7982d47c3326a8dfc7f38 [0,2,0,0,0,0|1,0,1]=4 6918 B12R1.37 O=CCCCNCc1ccc[nH]1 316bc033fe707e78b5cd200dd3648e5e [0,2,0,0,0,0|1,0,1]=4 6919 B12R1.37 O=CCCCNCc1ccco1 7a561dbfa10a40278ccdedaf52dcb63a [0,2,0,0,0,0|0,1,1]=4 6920 B12R1.37 O=CCCCNCc1cccs1 e3e266620cacd05854553b72fcab3cf7 [0,2,0,0,0,0|0,0,1]=3 6921 B12R1.37 O=CCCCNCc1ccns1 d4af74d42ef06d8e1ab7e201929d337d [0,2,0,0,0,0|1,0,1]=4 6922 B12R1.37 O=CCCCNCc1cncs1 7e961225c83c6a1aab38ef6a06613bf0 [0,2,0,0,0,0|1,0,1]=4 6923 B12R1.37 O=CCCCNCc1nccs1 c06a46e167d66f09b8810fd7b270f579 [0,2,0,0,0,0|1,0,1]=4 6924 B12R1.37 O=CCCCOCc1ccc[nH]1 1ab01bba449ff5194d59f596cf5abc45 [0,2,0,0,0,0|1,0,1]=4 6925 B12R1.37 O=CCCCOCc1ccco1 8ff0489f1f8298d04a7c4c1d89bf264a [0,2,0,0,0,0|0,1,1]=4 6926 B12R1.37 O=CCCCOCc1cccs1 9b27e21482170526cb81c923265986b8 [0,2,0,0,0,0|0,0,1]=3 6927 B12R1.37 O=CCCCOCc1ccns1 20bd6a247a79a6bbd00b3d72579b08b2 [0,2,0,0,0,0|1,0,1]=4 6928 B12R1.37 O=CCCCOCc1cncs1 be66c31614f9faacbeffb317cbed01e2 [0,2,0,0,0,0|1,0,1]=4 6929 B12R1.37 O=CCCCOCc1nccs1 974ffc69fd422459deb117517166f607 [0,2,0,0,0,0|1,0,1]=4 6930 B12R1.37 O=CCCNCCc1ccc[nH]1 452a2b259356807a46dd19f4ee6e960c [0,2,0,0,0,0|1,0,1]=4 6931 B12R1.37 O=CCCNCCc1ccco1 29f833a309ae57ebc434af2a16ff115d [0,2,0,0,0,0|0,1,1]=4 6932 B12R1.37 O=CCCNCCc1cccs1 b005be46601c1e6624166be3c6ebbfe8 [0,2,0,0,0,0|0,0,1]=3 6933 B12R1.37 O=CCCNCCc1nccs1 563d031a4e6684035b8e51f0d8f231a4 [0,2,0,0,0,0|1,0,1]=4 6934 B12R1.37 O=CCCOCCc1ccc[nH]1 fbb4a6b049ec13bba32244dd35c95ea5 [0,2,0,0,0,0|1,0,1]=4 6935 B12R1.37 O=CCCOCCc1ccco1 1c5ef9a4fdc8f5aa1a35cf4f1e8c9644 [0,2,0,0,0,0|0,1,1]=4 6936 B12R1.37 O=CCCOCCc1cccs1 e11c4643f5bde8cb23c664430f890487 [0,2,0,0,0,0|0,0,1]=3 6937 B12R1.37 O=CCCOCCc1nccs1 c782e86447b122994cf1749878fdcca5 [0,2,0,0,0,0|1,0,1]=4 6938 B12R1.37 O=CCNCCCc1ccco1 fe6e84fad30dce8ad74305488dae484b [0,2,0,0,0,0|0,1,1]=4 6939 B12R1.37 O=CCNCCCc1cccs1 b399501712f72c21d15b29e033650f5a [0,2,0,0,0,0|0,0,1]=3 6940 B12R1.37 O=CCOCCCc1ccco1 b619a3be5e5f13e777492afdd0d62e44 [0,2,0,0,0,0|0,1,1]=4 6941 B12R1.37 O=CCOCCCc1cccs1 e290b18c2ffce7a14fc6d4e45b5dc855 [0,2,0,0,0,0|0,0,1]=3 6942 B12R1.37 O=CCOCCNc1cccs1 0f853304f12290a690a36852803e6c8a [0,2,0,0,0,0|1,0,1]=4 6943 B12R1.37 O=CCOCCOc1cccs1 eedb6019e4659d10ea2b37835321888f [0,2,0,0,0,0|1,0,1]=4 6944 B12R1.37 O=CNCCOCc1cccs1 ead2bcec9e377314ee5e16a134a886c3 [0,2,0,0,0,0|1,0,1]=4 6945 B12R1.37 O=COCCOCc1cccs1 4e8cee465051cec6ee924f9123a908a9 [0,2,0,0,0,0|1,0,1]=4 6946 B12R1.37 OCC#CCNCc1cccs1 7646fdcf73b90ce8352abbeef7dbc250 [0,2,0,0,0,0|0,0,2]=4 6947 B12R1.37 OCCCCCNc1c[nH]cn1 e8d1febc4caa26661a94e40f9b7c2f45 [0,2,0,0,0,0|2,0,0]=4 6948 B12R1.37 OCCCCCNc1cc[nH]n1 d184f25f37c54fe88831897073d10a9e [0,2,0,0,0,0|2,0,0]=4 6949 B12R1.37 OCCCCCNc1ccco1 0eb7973a95598c1a9349744b06c91ec5 [0,2,0,0,0,0|0,1,0]=3 6950 B12R1.37 OCCCCCNc1cccs1 6f9543ccefac157cfb355e641ed2b67d [0,2,0,0,0,0|0,0,0]=2 6951 B12R1.37 OCCCCCNc1ccno1 e79926624b19f4fb83b81d42184061fa [0,2,0,0,0,0|1,1,0]=4 6952 B12R1.37 OCCCCCNc1ccns1 1dd01e731af9b1330213e91161d255be [0,2,0,0,0,0|1,0,0]=3 6953 B12R1.37 OCCCCCNc1ccoc1 e01144705b2fc640726e2ae904672bc9 [0,2,0,0,0,0|2,0,0]=4 6954 B12R1.37 OCCCCCNc1ccon1 1cc003113e42be4d72056d748e15b071 [0,2,0,0,0,0|2,0,0]=4 6955 B12R1.37 OCCCCCNc1ccsc1 e9161a7afb1cee2668d7b5844144fe6e [0,2,0,0,0,0|2,0,0]=4 6956 B12R1.37 OCCCCCNc1ccsn1 8d50d4048f08732f7de371bb6b9fb978 [0,2,0,0,0,0|2,0,0]=4 6957 B12R1.37 OCCCCCNc1cncs1 322f4fb55eed73e98409d440506cf5ff [0,2,0,0,0,0|1,0,0]=3 6958 B12R1.37 OCCCCCNc1cnns1 514da610e001d2f84ba3d1c76135a6c7 [0,2,0,0,0,0|2,0,0]=4 6959 B12R1.37 OCCCCCNc1cocn1 42b389b9ad654b05ec6228be49cd2e21 [0,2,0,0,0,0|2,0,0]=4 6960 B12R1.37 OCCCCCNc1cscn1 4877ec813956ba4bcfd34ef81e5d5e5f [0,2,0,0,0,0|2,0,0]=4 6961 B12R1.37 OCCCCCNc1ncc[nH]1 53145b3b20bb8d17991a83c07fc2d86a [0,2,0,0,0,0|2,0,0]=4 6962 B12R1.37 OCCCCCNc1ncco1 6647ef7335cc2880d0ac433b272c0332 [0,2,0,0,0,0|1,1,0]=4 6963 B12R1.37 OCCCCCNc1nccs1 69ffdcd05a5bad38fc4374fff498b593 [0,2,0,0,0,0|1,0,0]=3 6964 B12R1.37 OCCCCCNc1ncns1 8001b8b9dbfb58bf199644d0e9d34d85 [0,2,0,0,0,0|2,0,0]=4 6965 B12R1.37 OCCCCCNc1nncs1 3c6044212a9d087878d60a279635881e [0,2,0,0,0,0|2,0,0]=4 6966 B12R1.37 OCCCCNCc1cc[nH]c1 f3cd6f42f57ea8c6b5c5c82af404d32d [0,2,0,0,0,0|2,0,0]=4 6967 B12R1.37 OCCCCNCc1ccc[nH]1 33ccff36a98dac97083b9410a12d0eec [0,2,0,0,0,0|1,0,0]=3 6968 B12R1.37 OCCCCNCc1ccco1 6075592aafe31c5d5000758fce3372ce [0,2,0,0,0,0|0,1,0]=3 6969 B12R1.37 OCCCCNCc1cccs1 f699a9ea6921093427c1a508fe696e7a [0,2,0,0,0,0|0,0,0]=2 6970 B12R1.37 OCCCCNCc1ccn[nH]1 93feba03dd6ebb6637697e7f6c73e7c2 [0,2,0,0,0,0|2,0,0]=4 6971 B12R1.37 OCCCCNCc1ccno1 129d8a2f487af0ce137c904a2c3f3f8e [0,2,0,0,0,0|1,1,0]=4 6972 B12R1.37 OCCCCNCc1ccns1 2592d0e4f07eb467a4ca8d9f489548e1 [0,2,0,0,0,0|1,0,0]=3 6973 B12R1.37 OCCCCNCc1ccoc1 3923240f40969720a7cdb21c0e838f74 [0,2,0,0,0,0|2,0,0]=4 6974 B12R1.37 OCCCCNCc1ccon1 c597bfa0fb77ef12be9ae28f12143442 [0,2,0,0,0,0|2,0,0]=4 6975 B12R1.37 OCCCCNCc1ccsc1 b3e610fcda21e10ec47ca7fe9aee3874 [0,2,0,0,0,0|2,0,0]=4 6976 B12R1.37 OCCCCNCc1ccsn1 8df47cd3e3fd0f8028678487f8362516 [0,2,0,0,0,0|2,0,0]=4 6977 B12R1.37 OCCCCNCc1cnc[nH]1 2940c8b15a18c76a6b9dffcdce913e1c [0,2,0,0,0,0|2,0,0]=4 6978 B12R1.37 OCCCCNCc1cnco1 d56d0c87a47daaa5cafe4bf13ef6289e [0,2,0,0,0,0|1,1,0]=4 6979 B12R1.37 OCCCCNCc1cncs1 a9a29590506bc151c100a63225998077 [0,2,0,0,0,0|1,0,0]=3 6980 B12R1.37 OCCCCNCc1cocn1 86455d6a68acefc3980711447aff9eae [0,2,0,0,0,0|2,0,0]=4 6981 B12R1.37 OCCCCNCc1cscn1 fa9e898557395495cf4a95e3040942d4 [0,2,0,0,0,0|2,0,0]=4 6982 B12R1.37 OCCCCNCc1ncc[nH]1 7cf24cb8011a2c16ba44cbb6f3762577 [0,2,0,0,0,0|2,0,0]=4 6983 B12R1.37 OCCCCNCc1ncco1 a92bc8fed77e4eceaac0d8b40d029f8f [0,2,0,0,0,0|1,1,0]=4 6984 B12R1.37 OCCCCNCc1nccs1 4ecdb14ee0d0cb3913f085be58ac537b [0,2,0,0,0,0|1,0,0]=3 6985 B12R1.37 OCCCNCCc1c[nH]cn1 d3280082233c7ae5ab21353e674c4612 [0,2,0,0,0,0|2,0,0]=4 6986 B12R1.37 OCCCNCCc1cc[nH]n1 7bb1dfcc5c3dfef26dd840aa5931f95e [0,2,0,0,0,0|2,0,0]=4 6987 B12R1.37 OCCCNCCc1ccc[nH]1 abd5ff7974c7a87502b0f4442ec2fc4f [0,2,0,0,0,0|1,0,0]=3 6988 B12R1.37 OCCCNCCc1ccco1 3d553a0586d123e10df9c5dd6ad732e9 [0,2,0,0,0,0|0,1,0]=3 6989 B12R1.37 OCCCNCCc1cccs1 efcf0eb4075bc058fa35683293ed38c2 [0,2,0,0,0,0|0,0,0]=2 6990 B12R1.37 OCCCNCCc1ccsc1 018a68026772759b06c27d614343d693 [0,2,0,0,0,0|2,0,0]=4 6991 B12R1.37 OCCCNCCc1cscn1 cf9d0d3d52653c0f6d970b7b3c7d29b3 [0,2,0,0,0,0|2,0,0]=4 6992 B12R1.37 OCCCNCCc1ncc[nH]1 44a58650661e0d30c2736fd5b7335a36 [0,2,0,0,0,0|2,0,0]=4 6993 B12R1.37 OCCCNCCc1nccs1 e35a3a8b85935f6ae422703aa3dc6bb3 [0,2,0,0,0,0|1,0,0]=3 6994 B12R1.37 OCCCNCCc1nncs1 f223cd3d1453e7e3c798515e918576e1 [0,2,0,0,0,0|2,0,0]=4 6995 B12R1.37 OCCCNCCn1cccc1 984ad76296e1ea2b64761d5a05d4b393 [0,2,0,0,0,0|2,0,0]=4 6996 B12R1.37 OCCCNCCn1cccn1 86747f53d3d796c4025a1a3f1b253514 [0,2,0,0,0,0|2,0,0]=4 6997 B12R1.37 OCCNCCCc1c[nH]cn1 d5a71975c586067853358f130d23f9fa [0,2,0,0,0,0|2,0,0]=4 6998 B12R1.37 OCCNCCCc1ccco1 47456ce4dfacc27577f5fca481762ce7 [0,2,0,0,0,0|0,1,0]=3 6999 B12R1.37 OCCNCCCc1cccs1 bbaa10bcea3b1ad4915591d6a3c907cb [0,2,0,0,0,0|0,0,0]=2 7000 B12R1.37 OCCNCCCc1ccsc1 68b8ee244790e74addfbb626dec6303e [0,2,0,0,0,0|2,0,0]=4 7001 B12R1.37 OCCNCCCc1ncc[nH]1 7f7ffac435348886a3b0f54fe4ac9f4e [0,2,0,0,0,0|2,0,0]=4 7002 B12R1.37 OCCNCCCn1cccc1 c4b820e6ab21ae57fc3ae2339f471ab6 [0,2,0,0,0,0|2,0,0]=4 7003 B12R1.37 OCCNCCCn1cccn1 b3a580661021075874afaa68d8bae6a9 [0,2,0,0,0,0|2,0,0]=4 7004 B12R1.37 OCCOCCNc1ccco1 2398a55b26ffd5df304e1678ab72722b [0,2,0,0,0,0|1,1,0]=4 7005 B12R1.37 OCCOCCNc1cccs1 49e5f35d038eb789897f2eec17d8853f [0,2,0,0,0,0|1,0,0]=3 7006 B12R1.37 OCCOCCNc1ccns1 60f147f038534f6e11a96b8473c03379 [0,2,0,0,0,0|2,0,0]=4 7007 B12R1.37 OCCOCCNc1cncs1 9e54c7dc8fb2ace1294f0271cc7ce77c [0,2,0,0,0,0|2,0,0]=4 7008 B12R1.37 OCCOCCNc1nccs1 c068d5a472b35116b6f725d187283c0a [0,2,0,0,0,0|2,0,0]=4 7009 B12R1.37 OCCSCCNc1ccco1 9418ee416beb67edc6e7fc3c58f1c8e9 [0,2,0,0,0,0|1,1,0]=4 7010 B12R1.37 OCCSCCNc1cccs1 16a5f6d7284eafed404ebe5fbe27c5f1 [0,2,0,0,0,0|1,0,0]=3 7011 B12R1.37 OCCSCCNc1ccns1 e1972de6529b750397df27912df3d449 [0,2,0,0,0,0|2,0,0]=4 7012 B12R1.37 OCCSCCNc1nccs1 b7fe504437cdd1a03119f55cab590e81 [0,2,0,0,0,0|2,0,0]=4 7013 B12R1.37 OCNCCCCc1cnc[nH]1 5fad451ba92d4bc940f5c939824bad93 [0,2,0,0,0,0|2,0,0]=4 7014 B12R1.37 OCNCCSCc1ccco1 af0839d2051de7ea6ff6f76b2b74c842 [0,2,0,0,0,0|1,1,0]=4 7015 B12R1.37 SCCCCNCc1ccco1 8c23d81b28b3f938988577440eed83ba [0,2,0,0,0,0|0,1,0]=3 7016 B12R1.37 SCCCCNCc1cccs1 37095ce86caadb1459c3b645174373ca [0,2,0,0,0,0|0,0,0]=2 7017 B12R1.37 SCCCCNCc1ccno1 087a5734c5b4232ec165c283a436ad53 [0,2,0,0,0,0|1,1,0]=4 7018 B12R1.37 SCCCCNCc1ccon1 13ec2f42b7708dbbfc1e14756162ff2a [0,2,0,0,0,0|2,0,0]=4 7019 B12R1.37 SCCCCNCc1ccsc1 b7e026a43decebb22bdee3fc6aef25f1 [0,2,0,0,0,0|2,0,0]=4 7020 B12R1.37 SCCCCNCc1cnc[nH]1 b3c36fe91c4fbf72578c52e6b3b4a22b [0,2,0,0,0,0|2,0,0]=4 7021 B12R1.37 SCCCCNCc1cocn1 578b53cf96540690b90c44a36a7a5c82 [0,2,0,0,0,0|2,0,0]=4 7022 B12R1.37 SCCCCNCc1cscn1 17fea819b6dd0177cd58b3ab47a67f56 [0,2,0,0,0,0|2,0,0]=4 7023 B12R1.37 SCCCCNCc1ncc[nH]1 d815b6d8da8ea64c14f6c129c65d0cfe [0,2,0,0,0,0|2,0,0]=4 7024 B12R1.37 SCCCCNCc1ncco1 773124d10e5700e397aa8510cddffe05 [0,2,0,0,0,0|1,1,0]=4 7025 B12R1.37 SCCCCNCc1nccs1 3b191bbe70ffc466e6d101730fbab925 [0,2,0,0,0,0|1,0,0]=3 7026 B12R1.37 SCCCCOCc1ccco1 6148e51d4083de54ef7f19a99c30d583 [0,2,0,0,0,0|0,1,0]=3 7027 B12R1.37 SCCCCOCc1cccs1 2423dec2d6b353998f59a112eb0b1f6b [0,2,0,0,0,0|0,0,0]=2 7028 B12R1.37 SCCCCOCc1ccno1 ec53275e07cf2c2258b0581a10f00346 [0,2,0,0,0,0|1,1,0]=4 7029 B12R1.37 SCCCCOCc1ccon1 f7957cf6b059b0d18fef42b0a3f84ddc [0,2,0,0,0,0|2,0,0]=4 7030 B12R1.37 SCCCCOCc1ccsc1 01b09d7ec44eb9a5921d2a8db79a9a67 [0,2,0,0,0,0|2,0,0]=4 7031 B12R1.37 SCCCCOCc1cnc[nH]1 288b99ea06051b1e9c3f4b785421199a [0,2,0,0,0,0|2,0,0]=4 7032 B12R1.37 SCCCCOCc1cocn1 d7b7d32495d8e0d777f0930e63bdce04 [0,2,0,0,0,0|2,0,0]=4 7033 B12R1.37 SCCCCOCc1cscn1 b5e0c1fcc9f26e8c2c5d72ee1ee7c00e [0,2,0,0,0,0|2,0,0]=4 7034 B12R1.37 SCCCCOCc1ncc[nH]1 a10cfb21f090bd0628ba54e1e62f24ca [0,2,0,0,0,0|2,0,0]=4 7035 B12R1.37 SCCCCOCc1ncco1 0c990a52791c11e5591ccbf4f745198e [0,2,0,0,0,0|1,1,0]=4 7036 B12R1.37 SCCCCOCc1nccs1 1e284e62aa7e16e89d7b15876d2643eb [0,2,0,0,0,0|1,0,0]=3 7037 B12R1.37 SCCCNCCc1c[nH]cn1 0a11cd3bc5213093410b1ea7c5105d33 [0,2,0,0,0,0|2,0,0]=4 7038 B12R1.37 SCCCNCCc1cc[nH]n1 41e24ad67e949a5cbdf52ebacdfde232 [0,2,0,0,0,0|2,0,0]=4 7039 B12R1.37 SCCCNCCc1ccc[nH]1 c3059bcb4635bd5efbb48acbffa86969 [0,2,0,0,0,0|1,0,0]=3 7040 B12R1.37 SCCCNCCc1ccco1 f9099491f18f1c2721d368196869b913 [0,2,0,0,0,0|0,1,0]=3 7041 B12R1.37 SCCCNCCc1cccs1 224c8ca6616f10e4feb2e5cead5f82e8 [0,2,0,0,0,0|0,0,0]=2 7042 B12R1.37 SCCCNCCc1ccsc1 7f0c2201a3983732817d78a82cf6687d [0,2,0,0,0,0|2,0,0]=4 7043 B12R1.37 SCCCNCCc1cscn1 3758d9a2aee398bc0ad17d861820628a [0,2,0,0,0,0|2,0,0]=4 7044 B12R1.37 SCCCNCCc1ncc[nH]1 cef069915e1ea5b4a958e506a230e084 [0,2,0,0,0,0|2,0,0]=4 7045 B12R1.37 SCCCNCCc1nccs1 d258eccbc40cb06aecc4d6325208781c [0,2,0,0,0,0|1,0,0]=3 7046 B12R1.37 SCCCNCCc1nncs1 f6f7c41318c5c19ec4a4eb6d428bab31 [0,2,0,0,0,0|2,0,0]=4 7047 B12R1.37 SCCCNCCn1cccc1 428150b1bca19c26a7f94267155d8867 [0,2,0,0,0,0|2,0,0]=4 7048 B12R1.37 SCCCNCCn1cccn1 d68d9267bb8684b13c1724ac5c342732 [0,2,0,0,0,0|2,0,0]=4 7049 B12R1.37 SCCCOCCc1c[nH]cn1 4d57ad834f4b0cd3243539f8718faff7 [0,2,0,0,0,0|2,0,0]=4 7050 B12R1.37 SCCCOCCc1cc[nH]n1 ba74285f1c5cbf212173929e2cbd2912 [0,2,0,0,0,0|2,0,0]=4 7051 B12R1.37 SCCCOCCc1ccc[nH]1 78a013cccb142b5fbbb9da691f416f39 [0,2,0,0,0,0|1,0,0]=3 7052 B12R1.37 SCCCOCCc1ccco1 96d6cad083fc1961742f11a4d6786cf5 [0,2,0,0,0,0|0,1,0]=3 7053 B12R1.37 SCCCOCCc1cccs1 601e00785437d492ee64c81b8e2abe07 [0,2,0,0,0,0|0,0,0]=2 7054 B12R1.37 SCCCOCCc1ccoc1 07c587db886e0f527aa9f48a567d230a [0,2,0,0,0,0|2,0,0]=4 7055 B12R1.37 SCCCOCCc1ccon1 6ab8baf6f86f024b642d14ea8a587f60 [0,2,0,0,0,0|2,0,0]=4 7056 B12R1.37 SCCCOCCc1ccsc1 e43ef2f946763f54f1103e8ca1ac1cbc [0,2,0,0,0,0|2,0,0]=4 7057 B12R1.37 SCCCOCCc1cscn1 1e8bc757413a43af372d703ef80bb359 [0,2,0,0,0,0|2,0,0]=4 7058 B12R1.37 SCCCOCCc1ncc[nH]1 a8b469dbe8f2bf260d07343f23c39d18 [0,2,0,0,0,0|2,0,0]=4 7059 B12R1.37 SCCCOCCc1nccs1 0df324241e80eff8902fbcbe3bccb6e0 [0,2,0,0,0,0|1,0,0]=3 7060 B12R1.37 SCCCOCCn1cccc1 eb7086e9736253e933f8c28e4eca09e1 [0,2,0,0,0,0|2,0,0]=4 7061 B12R1.37 SCCCOCCn1cccn1 1b5c9a224f028d8e7d37019ec52dd632 [0,2,0,0,0,0|2,0,0]=4 7062 B12R1.37 SCCNCCCc1c[nH]cn1 61c6b80a4bc72c6ed2988eaa8da77c71 [0,2,0,0,0,0|2,0,0]=4 7063 B12R1.37 SCCNCCCc1ccco1 a8bb1fb7899208ac5648affb3aa41ae8 [0,2,0,0,0,0|0,1,0]=3 7064 B12R1.37 SCCNCCCc1cccs1 d5ae43c4711fd49c911a779bbb7226c2 [0,2,0,0,0,0|0,0,0]=2 7065 B12R1.37 SCCNCCCc1ccsc1 61d83f51afd86978aa2533605658b4be [0,2,0,0,0,0|2,0,0]=4 7066 B12R1.37 SCCNCCCc1ncc[nH]1 3ae5803f53ca5a629d771c2b2014d99c [0,2,0,0,0,0|2,0,0]=4 7067 B12R1.37 SCCNCCCn1cccc1 7b72ec5edca0480528fbd96648ddde89 [0,2,0,0,0,0|2,0,0]=4 7068 B12R1.37 SCCNCCCn1cccn1 39d18b0601f0030c7f191efd9e7b869a [0,2,0,0,0,0|2,0,0]=4 7069 B12R1.37 SCCOCCCc1ccco1 c48d0003c3773250a4ea3b702bcbba74 [0,2,0,0,0,0|0,1,0]=3 7070 B12R1.37 SCCOCCCc1cccs1 2231517fa352461bd9e8ead23313f6ea [0,2,0,0,0,0|0,0,0]=2 7071 B12R1.37 SCCOCCCc1ccsc1 e2e5e04faf31d8b4b38736fb046ee201 [0,2,0,0,0,0|2,0,0]=4 7072 B12R1.37 SCCOCCCc1cnc[nH]1 e1db836710074a87dcaa0804d41b2dd9 [0,2,0,0,0,0|2,0,0]=4 7073 B12R1.37 SCCOCCCn1cccc1 a08d83a6e2a7ea3c032bef6089cabef9 [0,2,0,0,0,0|2,0,0]=4 7074 B12R1.37 SCCOCCCn1cccn1 d4261ebda7a8187ace0b15b8f2c77e10 [0,2,0,0,0,0|2,0,0]=4 7075 B12R1.37 SCCOCCNc1ccco1 7f3ad86b7fd6d13cb8c55d0a11aceeb1 [0,2,0,0,0,0|1,1,0]=4 7076 B12R1.37 SCCOCCNc1cccs1 349ad531084caa3157f8fbc62e476711 [0,2,0,0,0,0|1,0,0]=3 7077 B12R1.37 SCCOCCNc1ccns1 b33d91a8a1d273b0fbd5b01d63939544 [0,2,0,0,0,0|2,0,0]=4 7078 B12R1.37 SCCOCCNc1cncs1 924fb5bdbeafe6b37f21fcd06397c5bd [0,2,0,0,0,0|2,0,0]=4 7079 B12R1.37 SCCOCCNc1nccs1 f940f6e87da3105531c654f90089a2a9 [0,2,0,0,0,0|2,0,0]=4 7080 B12R1.37 SCCOCCSc1cccs1 3cf910fa10fcd62c02a9bf96eab1ae3f [0,2,0,0,0,0|1,0,0]=3 7081 B12R1.51 C#CCC(C)OCc1cccs1 3613e6545d3a2d646a7cc0dde3d47ea5 [0,2,0,0,0,0|0,0,2]=4 7082 B12R1.51 C#CCN(C)CCc1cccs1 43d6bd4bafef9d760953529db1a2252a [0,2,0,0,0,0|0,0,2]=4 7083 B12R1.51 C/C=C/C(C)OCc1cccs1 2e3b2ee48ae717966f70edd4e994140f [0,2,0,0,0,0|0,0,2]=4 7084 B12R1.51 C=CCC(C)CNc1cccs1 6c77dfa7a5506103bbd9211382f9a648 [0,2,0,0,0,0|0,0,2]=4 7085 B12R1.51 C=CCC(C)COc1cccs1 ad77a4b64608b07a49f02bfc5ac32d8e [0,2,0,0,0,0|0,0,2]=4 7086 B12R1.51 C=CCC(C)OCc1cccs1 b47a97aad96a4c52e103e513ecfc081b [0,2,0,0,0,0|0,0,2]=4 7087 B12R1.51 C=CCC(O)CNc1cccs1 9bf9b4867b0ed7bb34563987e45e95e8 [0,2,0,0,0,0|0,0,2]=4 7088 B12R1.51 C=CCN(C)CCc1cccs1 22179f76f2bad2e3f9a9882927b27336 [0,2,0,0,0,0|0,0,2]=4 7089 B12R1.51 C=CC[C@@H](C)OCc1cccs1 1c47c8612e0230e5cc75436f83da58de [0,2,0,0,0,0|0,0,2]=4 7090 B12R1.51 C=CC[C@H](C)OCc1cccs1 6c27a8c5e1db7db2b71032cb3dbfd481 [0,2,0,0,0,0|0,0,2]=4 7091 B12R1.51 CC#CC(C)OCc1cccs1 cf5fd118538141da8452f49aa9ac4b91 [0,2,0,0,0,0|0,0,2]=4 7092 B12R1.51 CC(CC#N)NCc1cccs1 5999df9a449aa7d5c8378a75a2cd6060 [0,2,0,0,0,0|1,0,1]=4 7093 B12R1.51 CC(CC#N)OCc1cccs1 72ac57e0add659895c66b29599e81e6e [0,2,0,0,0,0|1,0,1]=4 7094 B12R1.51 CC(CCO)CNc1ccco1 16b55a1d3faa75b626809cde263e7c90 [0,2,0,0,0,0|1,1,0]=4 7095 B12R1.51 CC(CCO)CNc1cccs1 60e1e007d4c67a2017ddce62aeb7c7d9 [0,2,0,0,0,0|1,0,0]=3 7096 B12R1.51 CC(CCO)CNc1ccns1 77a8b9b823f567c6f73d3f8158ab8641 [0,2,0,0,0,0|2,0,0]=4 7097 B12R1.51 CC(CCO)CNc1nccs1 89aab44c3d0aa59f1d1a4a4cdef75fbf [0,2,0,0,0,0|2,0,0]=4 7098 B12R1.51 CC(CCO)NCc1ccc[nH]1 e5e2cb35463e81bc1f18df1a0f7dc963 [0,2,0,0,0,0|2,0,0]=4 7099 B12R1.51 CC(CCO)NCc1ccco1 11702033a1579b20eed49e6d576137ee [0,2,0,0,0,0|1,1,0]=4 7100 B12R1.51 CC(CCO)NCc1cccs1 1df39dcb2f787852388ec4dade998c2a [0,2,0,0,0,0|1,0,0]=3 7101 B12R1.51 CC(CCO)NCc1ccns1 83238e6d798868f03a8137f7029ebf7f [0,2,0,0,0,0|2,0,0]=4 7102 B12R1.51 CC(CCO)NCc1cncs1 6cf54118fa37d345d1e73abca6465b23 [0,2,0,0,0,0|2,0,0]=4 7103 B12R1.51 CC(CCO)NCc1nccs1 39bea4dfa8ab91fc8c45173f6eccf5d8 [0,2,0,0,0,0|2,0,0]=4 7104 B12R1.51 CC(CCc1ccco1)NCF ce337077e54e76bb5e56398ee7707348 [0,2,0,0,0,0|1,1,0]=4 7105 B12R1.51 CC(CCc1ccco1)NCO 40b1b0064db4a12d2ac25802cf40d251 [0,2,0,0,0,0|1,1,0]=4 7106 B12R1.51 CC=CC(C)OCc1cccs1 7965b3706bc82eafd2e1bf3105319c72 [0,2,0,0,0,0|0,0,2]=4 7107 B12R1.51 CCCC(=O)CNc1cccs1 510ce4538513381cb2b5464c82afab60 [0,2,0,0,0,0|0,0,1]=3 7108 B12R1.51 CCCC(=O)CNc1ccns1 790b4a4bd1c2dec17c66390fbacf81ea [0,2,0,0,0,0|1,0,1]=4 7109 B12R1.51 CCCC(=O)CNc1cncs1 1b6c10f63bf84199f722b684d130110a [0,2,0,0,0,0|1,0,1]=4 7110 B12R1.51 CCCC(=O)CNc1nccs1 8329238f3bb10bafd537884ca3a2291b [0,2,0,0,0,0|1,0,1]=4 7111 B12R1.51 CCCC(=O)COc1ccco1 17063ad1e4dbe751a7be7a21bba1bcd0 [0,2,0,0,0,0|0,1,1]=4 7112 B12R1.51 CCCC(=O)COc1cccs1 f5b4cb870ac2a841382058ce2c068300 [0,2,0,0,0,0|0,0,1]=3 7113 B12R1.51 CCCC(=O)COc1nccs1 76feda449c22770a900139e73db99aae [0,2,0,0,0,0|1,0,1]=4 7114 B12R1.51 CCCC(=O)NCc1ccco1 ce73a3e2d6c143c7e7957ed4af9c441b [0,2,0,0,0,0|0,1,1]=4 7115 B12R1.51 CCCC(=O)NCc1cccs1 3fa9b846891b27864ac91e4223d91ff8 [0,2,0,0,0,0|0,0,1]=3 7116 B12R1.51 CCCC(=O)NCc1ccns1 53849cfcb3c7e0c968017f7242d4f512 [0,2,0,0,0,0|1,0,1]=4 7117 B12R1.51 CCCC(=O)NCc1cncs1 e866c6274cd704a3a73cfea0525e6fb8 [0,2,0,0,0,0|1,0,1]=4 7118 B12R1.51 CCCC(=O)NCc1nccs1 a47a1fb03122bd48660b2fd928c2f713 [0,2,0,0,0,0|1,0,1]=4 7119 B12R1.51 CCCC(=S)OCc1ccco1 8121dc76523569851a233c8994ab0d3d [0,2,0,0,0,0|0,1,1]=4 7120 B12R1.51 CCCC(=S)OCc1cccs1 7abaf3963298e262d490103a5661bc80 [0,2,0,0,0,0|0,0,1]=3 7121 B12R1.51 CCCC(=S)OCc1nccs1 ed78fcf9cd41a0afb37679b313e93bb0 [0,2,0,0,0,0|1,0,1]=4 7122 B12R1.51 CCCC(C)CNc1cc[nH]n1 96ea19ce05c6f493b38a85d9235db920 [0,2,0,0,0,0|2,0,0]=4 7123 B12R1.51 CCCC(C)CNc1cccs1 7322aa206a4cabed87796411ba149b2c [0,2,0,0,0,0|0,0,0]=2 7124 B12R1.51 CCCC(C)CNc1ccno1 e4ec2216889f9e5a92106334dc12bf14 [0,2,0,0,0,0|1,1,0]=4 7125 B12R1.51 CCCC(C)CNc1ccns1 6e566a0a98dc13d8d482c20c03fe640b [0,2,0,0,0,0|1,0,0]=3 7126 B12R1.51 CCCC(C)CNc1ccon1 7bb386dad44a3d491e660d125b4ef426 [0,2,0,0,0,0|2,0,0]=4 7127 B12R1.51 CCCC(C)CNc1ccsc1 13a542c42f8e5ba2e613b3168a5bfb8a [0,2,0,0,0,0|2,0,0]=4 7128 B12R1.51 CCCC(C)CNc1cocn1 124d1e6c018322b8f8171374592c9fc7 [0,2,0,0,0,0|2,0,0]=4 7129 B12R1.51 CCCC(C)CNc1cscn1 b69cec412cd0c15738d4f4a8c5d78e9e [0,2,0,0,0,0|2,0,0]=4 7130 B12R1.51 CCCC(C)CNc1ncc[nH]1 2cb5d0d505c9aa46fa59fd6ed8325bde [0,2,0,0,0,0|2,0,0]=4 7131 B12R1.51 CCCC(C)CNc1ncco1 a31e79013a713fcbbf7532a59d719e90 [0,2,0,0,0,0|1,1,0]=4 7132 B12R1.51 CCCC(C)CNc1nccs1 e00707bd988268fc9dbc0c4c3506c654 [0,2,0,0,0,0|1,0,0]=3 7133 B12R1.51 CCCC(C)CNc1ncns1 81afb771e58d7084b382a0914958cca4 [0,2,0,0,0,0|2,0,0]=4 7134 B12R1.51 CCCC(C)CNc1nncs1 79978f0b1a171f5f02b02c71e318a103 [0,2,0,0,0,0|2,0,0]=4 7135 B12R1.51 CCCC(C)COc1c[nH]cn1 5208377ce482aa69855538359107efc2 [0,2,0,0,0,0|2,0,0]=4 7136 B12R1.51 CCCC(C)COc1ccco1 34efdae75d957bce0bf87430fb46fa04 [0,2,0,0,0,0|0,1,0]=3 7137 B12R1.51 CCCC(C)COc1cccs1 43cc6708dc074b425839cf5bec029e2d [0,2,0,0,0,0|0,0,0]=2 7138 B12R1.51 CCCC(C)COc1ccn[nH]1 9e8653801ad7ada8b88e4f1a1bb77fe9 [0,2,0,0,0,0|2,0,0]=4 7139 B12R1.51 CCCC(C)COc1ccsc1 05919b455c2d3c0ca17f6647dfaaec8f [0,2,0,0,0,0|2,0,0]=4 7140 B12R1.51 CCCC(C)COc1nccs1 4943b1feb6d20a86f7d1a849bbcab3e0 [0,2,0,0,0,0|1,0,0]=3 7141 B12R1.51 CCCC(C)COc1nncs1 11dee330121c66536d6843dcf98b8c08 [0,2,0,0,0,0|2,0,0]=4 7142 B12R1.51 CCCC(C)COn1cccn1 f68174098b533bbc69bb00722ba64180 [0,2,0,0,0,0|2,0,0]=4 7143 B12R1.51 CCCC(C)NCc1cc[nH]c1 ba465ab1e70697afaa06f68f2dbff8f0 [0,2,0,0,0,0|2,0,0]=4 7144 B12R1.51 CCCC(C)NCc1ccc[nH]1 fde5323aa770ee56f256714bc38e0ec7 [0,2,0,0,0,0|1,0,0]=3 7145 B12R1.51 CCCC(C)NCc1ccco1 cb2feb7a0aebe23af976f4fc49eafc65 [0,2,0,0,0,0|0,1,0]=3 7146 B12R1.51 CCCC(C)NCc1cccs1 e0ce5982de762113b1abdaca0a678db6 [0,2,0,0,0,0|0,0,0]=2 7147 B12R1.51 CCCC(C)NCc1ccn[nH]1 83ee07a0b9d96c048677685769bdd5e3 [0,2,0,0,0,0|2,0,0]=4 7148 B12R1.51 CCCC(C)NCc1ccno1 7958a1a161ec5da350c1c94dcdbd70f1 [0,2,0,0,0,0|1,1,0]=4 7149 B12R1.51 CCCC(C)NCc1ccns1 eba2c527d852970b92e1483e8bd183a3 [0,2,0,0,0,0|1,0,0]=3 7150 B12R1.51 CCCC(C)NCc1ccoc1 9bf3a274987c1082bf710a6c41cdd9e7 [0,2,0,0,0,0|2,0,0]=4 7151 B12R1.51 CCCC(C)NCc1ccon1 6fcadc906ff3562b53f68c044921ce6b [0,2,0,0,0,0|2,0,0]=4 7152 B12R1.51 CCCC(C)NCc1ccsc1 2a4efefbe3572266f0cb6edcfc02421f [0,2,0,0,0,0|2,0,0]=4 7153 B12R1.51 CCCC(C)NCc1ccsn1 54a0c3e9e7c27365833c9051ec7c847e [0,2,0,0,0,0|2,0,0]=4 7154 B12R1.51 CCCC(C)NCc1cnc[nH]1 1352181d3c6dbea56534b93445d65f23 [0,2,0,0,0,0|2,0,0]=4 7155 B12R1.51 CCCC(C)NCc1cnco1 14a5e3079579ba96e10f89329897880a [0,2,0,0,0,0|1,1,0]=4 7156 B12R1.51 CCCC(C)NCc1cocn1 fa296ca6f63d64a44b04471c88d898d9 [0,2,0,0,0,0|2,0,0]=4 7157 B12R1.51 CCCC(C)NCc1cscn1 dab82c12166f34bada36e547be2cb055 [0,2,0,0,0,0|2,0,0]=4 7158 B12R1.51 CCCC(C)NCc1ncc[nH]1 78717fe7361e23a0427f440c9f82d67f [0,2,0,0,0,0|2,0,0]=4 7159 B12R1.51 CCCC(C)NCc1ncco1 14fcb8f30a5c93d17afb56f089844496 [0,2,0,0,0,0|1,1,0]=4 7160 B12R1.51 CCCC(C)NCc1nccs1 14e4a0705e405c896dfc0b5ddfe769e7 [0,2,0,0,0,0|1,0,0]=3 7161 B12R1.51 CCCC(C)OCc1ccc[nH]1 e8b53a69c0450e7fe31fe382211383ca [0,2,0,0,0,0|1,0,0]=3 7162 B12R1.51 CCCC(C)OCc1ccco1 8c1a6f378e4d0c7509435db854b3c00e [0,2,0,0,0,0|0,1,0]=3 7163 B12R1.51 CCCC(C)OCc1cccs1 fce4062442748da307d6ad6be6b23353 [0,2,0,0,0,0|0,0,0]=2 7164 B12R1.51 CCCC(C)OCc1ccn[nH]1 5b102c585050ba5bddd1fd0b96fd09d8 [0,2,0,0,0,0|2,0,0]=4 7165 B12R1.51 CCCC(C)OCc1ccno1 1d5eabd565785dbc8f0da0c8f99b2b06 [0,2,0,0,0,0|1,1,0]=4 7166 B12R1.51 CCCC(C)OCc1ccns1 6eb83403ad18d8ca7c16b9eb0b360992 [0,2,0,0,0,0|1,0,0]=3 7167 B12R1.51 CCCC(C)OCc1ccon1 4a1b4c848db5e0485eba162e3c0a65d3 [0,2,0,0,0,0|2,0,0]=4 7168 B12R1.51 CCCC(C)OCc1ccsc1 5cd9950f9752cc35ecf261bd82732819 [0,2,0,0,0,0|2,0,0]=4 7169 B12R1.51 CCCC(C)OCc1ccsn1 832f9dc0a04b63ebcd73d957edbf7974 [0,2,0,0,0,0|2,0,0]=4 7170 B12R1.51 CCCC(C)OCc1cnc[nH]1 c36fc3ec3a04fe9b78392760a6ac0543 [0,2,0,0,0,0|2,0,0]=4 7171 B12R1.51 CCCC(C)OCc1cnco1 5bb6cf40263559e0b4fc0d60ee668ec8 [0,2,0,0,0,0|1,1,0]=4 7172 B12R1.51 CCCC(C)OCc1cocn1 57d3d7a13c15d31f75a10c8f8e2f7677 [0,2,0,0,0,0|2,0,0]=4 7173 B12R1.51 CCCC(C)OCc1cscn1 942fb2bf9e680ebb39a2b48f4893414e [0,2,0,0,0,0|2,0,0]=4 7174 B12R1.51 CCCC(C)OCc1ncc[nH]1 678e7ab7bac8b0f1444c06544baf26b6 [0,2,0,0,0,0|2,0,0]=4 7175 B12R1.51 CCCC(C)OCc1ncco1 b103e2dbd32d8ca5155a3ce9b00c3c24 [0,2,0,0,0,0|1,1,0]=4 7176 B12R1.51 CCCC(C)OCc1nccs1 969d4b42a20f955fc5695e68348a59c4 [0,2,0,0,0,0|1,0,0]=3 7177 B12R1.51 CCCC(C)OCn1cccn1 4661610d9c44fc56f077257c64a5814a [0,2,0,0,0,0|2,0,0]=4 7178 B12R1.51 CCCC(O)CNc1c[nH]cn1 a2bdcd75192f9f5680bb4a139d04799a [0,2,0,0,0,0|2,0,0]=4 7179 B12R1.51 CCCC(O)CNc1ccco1 e2a6210d9baeb98f530925920f809517 [0,2,0,0,0,0|0,1,0]=3 7180 B12R1.51 CCCC(O)CNc1cccs1 9febfdc57c41aa612e261c3b7e35f49d [0,2,0,0,0,0|0,0,0]=2 7181 B12R1.51 CCCC(O)CNc1ccns1 b6d08d0c0166f51416757ae1826166dc [0,2,0,0,0,0|1,0,0]=3 7182 B12R1.51 CCCC(O)CNc1ccoc1 72d29ce2370df0c15581d5d19f4ba1af [0,2,0,0,0,0|2,0,0]=4 7183 B12R1.51 CCCC(O)CNc1ncco1 800a1c8b840c199571f309d15a86e7ed [0,2,0,0,0,0|1,1,0]=4 7184 B12R1.51 CCCC(O)CNc1nccs1 58b966262689d2fb1a5aa2fc8b91ce9d [0,2,0,0,0,0|1,0,0]=3 7185 B12R1.51 CCCC(O)CNc1ncns1 cf3504d3a5a2f298db228b99a860901f [0,2,0,0,0,0|2,0,0]=4 7186 B12R1.51 CCCN(C)CCc1c[nH]cn1 7dd3437477c912f8cf2a76040eae9f46 [0,2,0,0,0,0|2,0,0]=4 7187 B12R1.51 CCCN(C)CCc1cccs1 19a1f0cf6c1114c31f71560da5a10663 [0,2,0,0,0,0|0,0,0]=2 7188 B12R1.51 CCCN(C)CCc1ccsc1 d282dd003e654986efda88f23d160992 [0,2,0,0,0,0|2,0,0]=4 7189 B12R1.51 CCCN(C)CCc1cscn1 92ae01e89cd99f408ca090f628f56f3d [0,2,0,0,0,0|2,0,0]=4 7190 B12R1.51 CCCN(C)CCn1cccc1 ddb29a1e4f75691475941d0f7846ace4 [0,2,0,0,0,0|2,0,0]=4 7191 B12R1.51 CCCN(C)CCn1cccn1 ee3a8c6b6cd6acf51664dc13867716e0 [0,2,0,0,0,0|2,0,0]=4 7192 B12R1.51 CCC[C@@H](C)OCc1ccco1 6b8e6cdeb644c476e2b16b0282ac258d [0,2,0,0,0,0|0,1,0]=3 7193 B12R1.51 CCC[C@@H](C)OCc1cccs1 21a459ce35e5a768a12dc072f179611b [0,2,0,0,0,0|0,0,0]=2 7194 B12R1.51 CCC[C@@H](C)OCc1ccno1 14bd36e79839b8ae1b438442d134d00e [0,2,0,0,0,0|1,1,0]=4 7195 B12R1.51 CCC[C@@H](C)OCc1ccon1 94ab02dd8931268a94ccfcc684fd5fd4 [0,2,0,0,0,0|2,0,0]=4 7196 B12R1.51 CCC[C@@H](C)OCc1ccsc1 66a29e6ef060190f15ac059970ac47b0 [0,2,0,0,0,0|2,0,0]=4 7197 B12R1.51 CCC[C@@H](C)OCc1cocn1 5589955ed77c6b0bf95d10b2091f9972 [0,2,0,0,0,0|2,0,0]=4 7198 B12R1.51 CCC[C@@H](C)OCc1cscn1 29c5ae4bb6bbb0cdc60997f26ead3a6f [0,2,0,0,0,0|2,0,0]=4 7199 B12R1.51 CCC[C@@H](C)OCc1ncc[nH]1 787dd54d9cc02ff918f64ea0c86b583e [0,2,0,0,0,0|2,0,0]=4 7200 B12R1.51 CCC[C@@H](C)OCc1ncco1 a68909eaa8b854a54a82b6e2ebb95ff9 [0,2,0,0,0,0|1,1,0]=4 7201 B12R1.51 CCC[C@@H](C)OCc1nccs1 801df2133db25a51acd2c7c21f0e0109 [0,2,0,0,0,0|1,0,0]=3 7202 B12R1.51 CCC[C@H](C)NCc1ccco1 88f3a404ee4e8db0f2ab54f158bc5173 [0,2,0,0,0,0|0,1,0]=3 7203 B12R1.51 CCC[C@H](C)NCc1cccs1 75594d07b8627a1ea42d59e45207aab7 [0,2,0,0,0,0|0,0,0]=2 7204 B12R1.51 CCC[C@H](C)NCc1ccno1 9fd1a6ef6f4ef27adab7a880f8cba9e9 [0,2,0,0,0,0|1,1,0]=4 7205 B12R1.51 CCC[C@H](C)NCc1ccon1 628d0bf106a8ceb8f573f6ab58e01234 [0,2,0,0,0,0|2,0,0]=4 7206 B12R1.51 CCC[C@H](C)NCc1ccsc1 527e3c38f8c516286c071994ee21efc3 [0,2,0,0,0,0|2,0,0]=4 7207 B12R1.51 CCC[C@H](C)NCc1cnc[nH]1 9df30ddffaa413ddda0ff34892f51e79 [0,2,0,0,0,0|2,0,0]=4 7208 B12R1.51 CCC[C@H](C)NCc1cocn1 3250d6d4438509392f1230fa3ea70ccb [0,2,0,0,0,0|2,0,0]=4 7209 B12R1.51 CCC[C@H](C)NCc1cscn1 239763df3ea515ac19b3ff93ca70a02d [0,2,0,0,0,0|2,0,0]=4 7210 B12R1.51 CCC[C@H](C)NCc1ncc[nH]1 c9d5573e6d0ed94fe8ab6479cb44f8ef [0,2,0,0,0,0|2,0,0]=4 7211 B12R1.51 CCC[C@H](C)NCc1ncco1 0900674f19e82891d373d8fe81d9ce71 [0,2,0,0,0,0|1,1,0]=4 7212 B12R1.51 CCC[C@H](C)NCc1nccs1 8d21c4c060f5963f6818b498ca068b43 [0,2,0,0,0,0|1,0,0]=3 7213 B12R1.51 CCC[C@H](C)OCc1ccco1 cadc03b063a9a894c57a4fe17016059c [0,2,0,0,0,0|0,1,0]=3 7214 B12R1.51 CCC[C@H](C)OCc1cccs1 46b1133f1b38a8ac4c4ff41828957992 [0,2,0,0,0,0|0,0,0]=2 7215 B12R1.51 CCC[C@H](C)OCc1ccno1 63430d1ef3e77efeac7c25f759e663a4 [0,2,0,0,0,0|1,1,0]=4 7216 B12R1.51 CCC[C@H](C)OCc1ccon1 965e5f2dd3bf104a13d2dfb60def4df1 [0,2,0,0,0,0|2,0,0]=4 7217 B12R1.51 CCC[C@H](C)OCc1ccsc1 114498a2d41fcc2ed099917c1008ce9d [0,2,0,0,0,0|2,0,0]=4 7218 B12R1.51 CCC[C@H](C)OCc1cocn1 46a3bcb33b78d85235ecffcce2fcd5b5 [0,2,0,0,0,0|2,0,0]=4 7219 B12R1.51 CCC[C@H](C)OCc1cscn1 4d016e2525cc93db734847a7dccb7956 [0,2,0,0,0,0|2,0,0]=4 7220 B12R1.51 CCC[C@H](C)OCc1ncc[nH]1 e9990885ffdfdf23bd1bf518116ddb57 [0,2,0,0,0,0|2,0,0]=4 7221 B12R1.51 CCC[C@H](C)OCc1ncco1 90e1f95c6ccffb80012a288aa40d80ad [0,2,0,0,0,0|1,1,0]=4 7222 B12R1.51 CCC[C@H](C)OCc1nccs1 c5ae5a207f55395061983372e8a77d73 [0,2,0,0,0,0|1,0,0]=3 7223 B12R1.51 CCNC(=O)CNc1cccs1 7d7bfadec1868b351f3db9135e4d4908 [0,2,0,0,0,0|1,0,1]=4 7224 B12R1.51 CCNC(=O)COc1cccs1 67120e0699fcff3d805546609fba12a6 [0,2,0,0,0,0|1,0,1]=4 7225 B12R1.51 CCNC(C)CCc1ccco1 f42d1b148652fa7fbd65e0d76e4e70e5 [0,2,0,0,0,0|0,1,0]=3 7226 B12R1.51 CCNC(C)CCn1cccn1 9ceca53600319fd5773fdab2bcd0dbee [0,2,0,0,0,0|2,0,0]=4 7227 B12R1.51 CCOC(=O)CNc1cccs1 63a74f49bd02d5f012482dad172e6d0a [0,2,0,0,0,0|1,0,1]=4 7228 B12R1.51 CCOC(=O)COc1cccs1 f9694a195aeb3518368016834f40b223 [0,2,0,0,0,0|1,0,1]=4 7229 B12R1.51 CCOC(C)CNc1ccco1 c35a8f7752496ad9ebcfa4262e007df3 [0,2,0,0,0,0|1,1,0]=4 7230 B12R1.51 CCOC(C)CNc1cccs1 f4522bda6980219ab392566fea8c6798 [0,2,0,0,0,0|1,0,0]=3 7231 B12R1.51 CCOC(C)CNc1ccns1 4a89390dcde1482288dd3d2a05967d9f [0,2,0,0,0,0|2,0,0]=4 7232 B12R1.51 CCOC(C)CNc1nccs1 7be91fda37d4dd55b00c444887141d29 [0,2,0,0,0,0|2,0,0]=4 7233 B12R1.51 CN(CC#N)CCc1cccs1 3f575bcf02aa0500a6f7271f457a0029 [0,2,0,0,0,0|1,0,1]=4 7234 B12R1.51 CN(CC=O)CCc1cccs1 c9bec80b3c506758cec9b0cf8a900775 [0,2,0,0,0,0|1,0,1]=4 7235 B12R1.51 CN(CCF)CCc1cccs1 d75705e77c44dd05714a6eb6534553b6 [0,2,0,0,0,0|1,0,0]=3 7236 B12R1.51 CN(CCO)CCc1cccs1 fcdef1ec8ff17e693116b7d6fe9ed332 [0,2,0,0,0,0|1,0,0]=3 7237 B12R1.51 CN(CCS)CCc1cccs1 477a6cfe223006c5da4d05b43f2b857b [0,2,0,0,0,0|1,0,0]=3 7238 B12R1.51 COCC(=O)NCc1cccs1 17a5e8446399ac1cc5708fd3a322859b [0,2,0,0,0,0|1,0,1]=4 7239 B12R1.51 COCC(C)NCc1ccc[nH]1 32c713ebec4b2a050b53153f9173999e [0,2,0,0,0,0|2,0,0]=4 7240 B12R1.51 COCC(C)NCc1ccco1 e988928688b2011921c1d1af79e6c2a0 [0,2,0,0,0,0|1,1,0]=4 7241 B12R1.51 COCC(C)NCc1cccs1 05e75dd18606919e058d3229c0252de7 [0,2,0,0,0,0|1,0,0]=3 7242 B12R1.51 COCC(C)NCc1ccns1 4b621b2756e0a46600f4e1a0194c0dfe [0,2,0,0,0,0|2,0,0]=4 7243 B12R1.51 COCC(C)NCc1cncs1 5e2c2a481f66ae991bc2b5a26363432e [0,2,0,0,0,0|2,0,0]=4 7244 B12R1.51 COCC(C)NCc1nccs1 6dc2fec4fa937bf40577b25a4492aafa [0,2,0,0,0,0|2,0,0]=4 7245 B12R1.51 COCC(C)OCc1ccc[nH]1 2dcec192c8371064ffcd43c8cedf7663 [0,2,0,0,0,0|2,0,0]=4 7246 B12R1.51 COCC(C)OCc1ccco1 40a0446d9633dae720b223c566087f51 [0,2,0,0,0,0|1,1,0]=4 7247 B12R1.51 COCC(C)OCc1cccs1 83fc478415468836043d7b86b37d5d6b [0,2,0,0,0,0|1,0,0]=3 7248 B12R1.51 COCC(C)OCc1ccns1 900c28732a34fb21dfa28433f3f35b8f [0,2,0,0,0,0|2,0,0]=4 7249 B12R1.51 COCC(C)OCc1cncs1 1d79ab9568f63120e5745aef3f18d761 [0,2,0,0,0,0|2,0,0]=4 7250 B12R1.51 COCC(C)OCc1nccs1 dcc0eae612382748fc8971d96fd734ca [0,2,0,0,0,0|2,0,0]=4 7251 B12R1.51 COCC(O)CNc1cccs1 90a89bcccdb624ab700c590af1fd6b2c [0,2,0,0,0,0|1,0,0]=3 7252 B12R1.51 COCC(O)CNc1ccns1 d0240dc2e12d58732ede014e5c085c0b [0,2,0,0,0,0|2,0,0]=4 7253 B12R1.51 COCC(O)CNc1cncs1 2d45bb8e60b3eabeab3b3827a7857fb3 [0,2,0,0,0,0|2,0,0]=4 7254 B12R1.51 COCC(O)CNc1nccs1 729d96a738c138f7386815fcdf40f5a9 [0,2,0,0,0,0|2,0,0]=4 7255 B12R1.51 COCN(C)CCc1cccs1 442c9aa51f970c72487a93ff03ab31a2 [0,2,0,0,0,0|1,0,0]=3 7256 B12R1.51 COC[C@@H](C)NCc1ccco1 48ba1c350f0bc3eb97a748b5f4ce0280 [0,2,0,0,0,0|1,1,0]=4 7257 B12R1.51 COC[C@@H](C)NCc1cccs1 d78b43c0a656455a56c06f116a530a97 [0,2,0,0,0,0|1,0,0]=3 7258 B12R1.51 COC[C@@H](C)NCc1nccs1 6bdf079795ccb91d444827197a883f1c [0,2,0,0,0,0|2,0,0]=4 7259 B12R1.51 COC[C@@H](C)OCc1ccco1 2b70f4be55925a09fb9919fd8d6f5c2b [0,2,0,0,0,0|1,1,0]=4 7260 B12R1.51 COC[C@@H](C)OCc1cccs1 21e652c938a540980350203afbe36eb1 [0,2,0,0,0,0|1,0,0]=3 7261 B12R1.51 COC[C@@H](C)OCc1nccs1 270d588cc200a09e90da367889eea6c0 [0,2,0,0,0,0|2,0,0]=4 7262 B12R1.51 COC[C@@H](O)CNc1ccns1 988e29167d1071a233f38237f7377f95 [0,2,0,0,0,0|2,0,0]=4 7263 B12R1.51 COC[C@@H](O)CNc1cncs1 7b7b13e587fe1fe4d7f24ff01cd589c5 [0,2,0,0,0,0|2,0,0]=4 7264 B12R1.51 COC[C@@H](O)CNc1nccs1 ac39e62aa8deb0b8eaa0091d64101a9a [0,2,0,0,0,0|2,0,0]=4 7265 B12R1.51 COC[C@H](C)NCc1ccco1 57641007ce76eb068c268e30e2934e46 [0,2,0,0,0,0|1,1,0]=4 7266 B12R1.51 COC[C@H](C)NCc1cccs1 639edf85bdf87af66215c18be2a8abed [0,2,0,0,0,0|1,0,0]=3 7267 B12R1.51 COC[C@H](C)NCc1nccs1 2fb96866cd319c17f290ddd49b3f595f [0,2,0,0,0,0|2,0,0]=4 7268 B12R1.51 COC[C@H](C)OCc1ccco1 64c52da4a06710ec3d57af2a4b680cea [0,2,0,0,0,0|1,1,0]=4 7269 B12R1.51 COC[C@H](C)OCc1cccs1 6b8c28e7c9fc846b125116a57f609e32 [0,2,0,0,0,0|1,0,0]=3 7270 B12R1.51 COC[C@H](C)OCc1nccs1 141e5eda620dc2fa2b5873102249b07d [0,2,0,0,0,0|2,0,0]=4 7271 B12R1.51 CSCC(=O)NCc1cccs1 139601ec2ef91fc28858209e2523e927 [0,2,0,0,0,0|1,0,1]=4 7272 B12R1.51 CSCC(C)OCc1ccco1 71ab78b4d4dee23a64291c60ab95c89e [0,2,0,0,0,0|1,1,0]=4 7273 B12R1.51 CSCC(C)OCc1cccs1 9de5a4a8ca27611c5754d5e1b71d3495 [0,2,0,0,0,0|1,0,0]=3 7274 B12R1.51 CSCC(C)OCc1nccs1 aabd7f354344a8835347f3cb7004e84e [0,2,0,0,0,0|2,0,0]=4 7275 B12R1.51 CSCN(C)CCc1cccs1 1bb8508d19c30a41348717e32b472a4e [0,2,0,0,0,0|1,0,0]=3 7276 B12R1.51 C[C@@H](CC#N)OCc1cccs1 bf3eb904b26824e787a8105b310e1991 [0,2,0,0,0,0|1,0,1]=4 7277 B12R1.51 C[C@@H](CCO)NCc1ccco1 446d8ce367a36d682569a494e5d65e75 [0,2,0,0,0,0|1,1,0]=4 7278 B12R1.51 C[C@@H](CCO)NCc1cccs1 023e88f6338ad39200cade2af235b120 [0,2,0,0,0,0|1,0,0]=3 7279 B12R1.51 C[C@@H](CCO)NCc1nccs1 c8a2a7ac02d7f1e0f82a8a2db2db6eb8 [0,2,0,0,0,0|2,0,0]=4 7280 B12R1.51 C[C@H](CC#N)OCc1cccs1 e951213288dcca48acd32e7715bde511 [0,2,0,0,0,0|1,0,1]=4 7281 B12R1.51 C[C@H](CCO)NCc1ccco1 b5ad87abc9797a3ad19f0d345a5fd06b [0,2,0,0,0,0|1,1,0]=4 7282 B12R1.51 C[C@H](CCO)NCc1cccs1 db493bae25e30700c39fe9a8d4c854f3 [0,2,0,0,0,0|1,0,0]=3 7283 B12R1.51 C[C@H](CCO)NCc1nccs1 a0a6ffb7dab11ae8a1ec552d1b82aa12 [0,2,0,0,0,0|2,0,0]=4 7284 B12R1.51 N#CCC(O)CNc1cccs1 1610128854938791344ad323524e5e90 [0,2,0,0,0,0|1,0,1]=4 7285 B12R1.51 N#CC[C@@H](O)CNc1cccs1 6db95f04e08b23530fd3861298649e9d [0,2,0,0,0,0|1,0,1]=4 7286 B12R1.51 N#CC[C@H](O)CNc1cccs1 5b9ea342db6739c38cda0582e1eea562 [0,2,0,0,0,0|1,0,1]=4 7287 B12R1.51 O=C(CCF)NCc1cccs1 045ecfb57c01091faa55587d07524e3d [0,2,0,0,0,0|1,0,1]=4 7288 B12R1.51 O=C(CCO)NCc1cccs1 ce42179162a865088fbee076fc4b5f4c [0,2,0,0,0,0|1,0,1]=4 7289 B12R1.51 O=C(CCS)NCc1cccs1 302cf06de464e88d7b60b037d4bf288d [0,2,0,0,0,0|1,0,1]=4 7290 B12R1.51 OCC[C@H](O)CNc1ccns1 560f195d1db0ee0129e7add7d2cc8eea [0,2,0,0,0,0|2,0,0]=4 7291 B12R1.51 OCC[C@H](O)COc1ccco1 b55b5073ebd4aa34a3382272f18d31d3 [0,2,0,0,0,0|1,1,0]=4 7292 B12R1.51 OCC[C@H](O)COc1nccs1 02fb666781d3e420bbfe125696765dbd [0,2,0,0,0,0|2,0,0]=4 7293 B12R1.53 C#CCCN(C)Cc1cccs1 35094c77a4b2a478d0d90b813b211bfa [0,2,0,0,0,0|0,0,2]=4 7294 B12R1.53 C/C=C/CN(C)Cc1cccs1 6c3460ef16b16b63901c007cf2b200a3 [0,2,0,0,0,0|0,0,2]=4 7295 B12R1.53 C/C=C\CN(C)Cc1cccs1 00ac2f759fca9626e4daf52da499573c [0,2,0,0,0,0|0,0,2]=4 7296 B12R1.53 C=CCCC(C)Nc1cccs1 43fb146bc55afceb3bad36caa0005fda [0,2,0,0,0,0|0,0,2]=4 7297 B12R1.53 C=CCCC(C)Oc1cccs1 b4af71c21517bf95673ad5853ede3c43 [0,2,0,0,0,0|0,0,2]=4 7298 B12R1.53 C=CCCN(C)Cc1cccs1 c1379e81d5e267ad63d34c4a9842207d [0,2,0,0,0,0|0,0,2]=4 7299 B12R1.53 CC(CCCO)Nc1ccns1 b30e6a86806876592e16ab1a95a37a04 [0,2,0,0,0,0|2,0,0]=4 7300 B12R1.53 CC(CCCO)Nc1nccs1 13ae17e34a362486323091835baf0637 [0,2,0,0,0,0|2,0,0]=4 7301 B12R1.53 CC(Cc1ccc[nH]1)NCCF cab2f0b19f837d2380ed7a0bab1eae3f [0,2,0,0,0,0|2,0,0]=4 7302 B12R1.53 CC(Cc1ccc[nH]1)NCCO 3e658b807cfdd234dbc3dd3b6c3f46be [0,2,0,0,0,0|2,0,0]=4 7303 B12R1.53 CC(Cc1ccc[nH]1)NCCS 9872816c639a3c271f00871151b488c2 [0,2,0,0,0,0|2,0,0]=4 7304 B12R1.53 CC(Cc1ccco1)NCCF a7a4c1bacf779219afd85edeecc6067e [0,2,0,0,0,0|1,1,0]=4 7305 B12R1.53 CC(Cc1ccco1)NCCO ba7afd753e3c07f4e5236ead2d660ca4 [0,2,0,0,0,0|1,1,0]=4 7306 B12R1.53 CC(Cc1ccco1)NCCS fd26cbe7cd59c3f16d3f2b8a19200a99 [0,2,0,0,0,0|1,1,0]=4 7307 B12R1.53 CC(Cc1ccco1)OCCF ca07aa030dc24e0b11e6b62f819e6f06 [0,2,0,0,0,0|1,1,0]=4 7308 B12R1.53 CC(Cc1ccco1)OCCS d974ac43136ee945647e05d465f14132 [0,2,0,0,0,0|1,1,0]=4 7309 B12R1.53 CCCCC(=O)Nc1cccs1 494217bb90f8b6effd43236b9fa0f6e9 [0,2,0,0,0,0|0,0,1]=3 7310 B12R1.53 CCCCC(=O)Nc1ccns1 04e87a05e7b581d3c9d0181a4550d289 [0,2,0,0,0,0|1,0,1]=4 7311 B12R1.53 CCCCC(=O)Nc1cncs1 05270bdb0198cca04f4b37f3c9b77e4a [0,2,0,0,0,0|1,0,1]=4 7312 B12R1.53 CCCCC(=O)Nc1nccs1 611ef451e071e78a062a2c8ba0e41edc [0,2,0,0,0,0|1,0,1]=4 7313 B12R1.53 CCCCC(C)Nc1cc[nH]n1 b2de2c30f34110df018dbae91c31c295 [0,2,0,0,0,0|2,0,0]=4 7314 B12R1.53 CCCCC(C)Nc1ccno1 34ba4eb5bde0fa50c9b542178c6397fb [0,2,0,0,0,0|1,1,0]=4 7315 B12R1.53 CCCCC(C)Nc1ccns1 92068ff7362ccbd84a3e5913fe619d22 [0,2,0,0,0,0|1,0,0]=3 7316 B12R1.53 CCCCC(C)Nc1ccon1 405495d18f09ef087f17de41eaaf9c9b [0,2,0,0,0,0|2,0,0]=4 7317 B12R1.53 CCCCC(C)Nc1ccsc1 d675c166f436ceb498ab3d35e6d5a99d [0,2,0,0,0,0|2,0,0]=4 7318 B12R1.53 CCCCC(C)Nc1cncs1 e41c2a1ffaf76800ea95def63ed7c6cb [0,2,0,0,0,0|1,0,0]=3 7319 B12R1.53 CCCCC(C)Nc1cocn1 4b10a738ebb02d9e421be71553fefdb6 [0,2,0,0,0,0|2,0,0]=4 7320 B12R1.53 CCCCC(C)Nc1cscn1 28c452ec4eb9f7c980c72fe131ea9dba [0,2,0,0,0,0|2,0,0]=4 7321 B12R1.53 CCCCC(C)Nc1ncc[nH]1 a63deab34b8a9883d6cbf05da72086fb [0,2,0,0,0,0|2,0,0]=4 7322 B12R1.53 CCCCC(C)Nc1ncco1 2ea2e705501aa140075903dc5a6b771c [0,2,0,0,0,0|1,1,0]=4 7323 B12R1.53 CCCCC(C)Nc1nccs1 7d731dc74534adda23a27419522d0b65 [0,2,0,0,0,0|1,0,0]=3 7324 B12R1.53 CCCCC(C)Nc1ncns1 4600e7342235521546bcc840798fd8c1 [0,2,0,0,0,0|2,0,0]=4 7325 B12R1.53 CCCCC(C)Nc1nncs1 9e4bc2651e0cbc1c01cab9252440dce6 [0,2,0,0,0,0|2,0,0]=4 7326 B12R1.53 CCCCC(C)Oc1c[nH]cn1 e779276425905ab8913e075c81069799 [0,2,0,0,0,0|2,0,0]=4 7327 B12R1.53 CCCCC(C)Oc1ccco1 37f4ae59a8501011f3ce808962ff21c7 [0,2,0,0,0,0|0,1,0]=3 7328 B12R1.53 CCCCC(C)Oc1cccs1 0612b715f2a7a1826ba28f6fa6fe6bfc [0,2,0,0,0,0|0,0,0]=2 7329 B12R1.53 CCCCC(C)Oc1ccn[nH]1 194ed67a43467593b669805c26a7d904 [0,2,0,0,0,0|2,0,0]=4 7330 B12R1.53 CCCCC(C)Oc1ccsc1 2379c86fda7a04f635627949b94923e4 [0,2,0,0,0,0|2,0,0]=4 7331 B12R1.53 CCCCC(C)Oc1nccs1 6819952df476bd855f7b88bd81cf9116 [0,2,0,0,0,0|1,0,0]=3 7332 B12R1.53 CCCCC(C)Oc1nncs1 37b0ea2ca0146c7cc19b7f32f8384bee [0,2,0,0,0,0|2,0,0]=4 7333 B12R1.53 CCCCC(C)On1cccn1 dda6e46912e3b10e667f105605cf7052 [0,2,0,0,0,0|2,0,0]=4 7334 B12R1.53 CCCCN(C)Cc1ccc[nH]1 c50f99082bcfe0dd48e82f644533cbda [0,2,0,0,0,0|1,0,0]=3 7335 B12R1.53 CCCCN(C)Cc1ccco1 915ae361a6c8a363519bd8bcef1f718a [0,2,0,0,0,0|0,1,0]=3 7336 B12R1.53 CCCCN(C)Cc1cccs1 96902d522eb7be84d5a3f6f44c4f41a3 [0,2,0,0,0,0|0,0,0]=2 7337 B12R1.53 CCCCN(C)Cc1ccn[nH]1 eaccfb1c77156c37365f840d559824de [0,2,0,0,0,0|2,0,0]=4 7338 B12R1.53 CCCCN(C)Cc1ccno1 636cf0767f814b5c6bcb54debd8555b2 [0,2,0,0,0,0|1,1,0]=4 7339 B12R1.53 CCCCN(C)Cc1ccoc1 d2593e836b329a6d74f8fbfacbbb1e77 [0,2,0,0,0,0|2,0,0]=4 7340 B12R1.53 CCCCN(C)Cc1ccon1 73020604bd7246eb48b50ad8a45fccdd [0,2,0,0,0,0|2,0,0]=4 7341 B12R1.53 CCCCN(C)Cc1ccsc1 7d083508c97bc0259e7c8d477ea1ab06 [0,2,0,0,0,0|2,0,0]=4 7342 B12R1.53 CCCCN(C)Cc1cncs1 0ab04dcb22fc5e791980c53f0dfc381e [0,2,0,0,0,0|1,0,0]=3 7343 B12R1.53 CCCCN(C)Cc1cocn1 7bd6e8bed09206a859cd977f00045d79 [0,2,0,0,0,0|2,0,0]=4 7344 B12R1.53 CCCCN(C)Cc1cscn1 57894385b0b972e9c9ea29833a826703 [0,2,0,0,0,0|2,0,0]=4 7345 B12R1.53 CCCCN(C)Cc1ncc[nH]1 7905007847a24e7f2c637a0b17f9fff7 [0,2,0,0,0,0|2,0,0]=4 7346 B12R1.53 CCCCN(C)Cc1ncco1 38614d3e89cb039066a6d91eff0b3740 [0,2,0,0,0,0|1,1,0]=4 7347 B12R1.53 CCCCN(C)Cc1nccs1 aff9f46b1b68ec0e89e6e6f5e852f8ce [0,2,0,0,0,0|1,0,0]=3 7348 B12R1.53 CCCC[C@@H](C)Nc1ccns1 d38e5fb7c559b71c872dc253edb59a21 [0,2,0,0,0,0|1,0,0]=3 7349 B12R1.53 CCCNC(=O)Cc1ccco1 85b3c205bd3b07a4d069798d9d9bcf5b [0,2,0,0,0,0|0,1,1]=4 7350 B12R1.53 CCCNC(=O)Cc1cccs1 9fcc2973908ac11247f97d4ead011aec [0,2,0,0,0,0|0,0,1]=3 7351 B12R1.53 CCCNC(=O)Cc1cncs1 9d0df1241291f302d6a6a76c8a6a07d7 [0,2,0,0,0,0|1,0,1]=4 7352 B12R1.53 CCCNC(=O)Cc1nccs1 c5e5c438ab8c21c17bfe2a627e2c9393 [0,2,0,0,0,0|1,0,1]=4 7353 B12R1.53 CCCNC(=S)Nc1cccs1 170dd58d6ef8027743ee9fadcaac7d14 [0,2,0,0,0,0|1,0,1]=4 7354 B12R1.53 CCCNC(C)Cc1c[nH]cn1 5e974bc85c11044947e28aae265a468e [0,2,0,0,0,0|2,0,0]=4 7355 B12R1.53 CCCNC(C)Cc1ccc[nH]1 ba30c089bd90d4da4c44c6170ec71c9d [0,2,0,0,0,0|1,0,0]=3 7356 B12R1.53 CCCNC(C)Cc1ccco1 8f557baca30ddaed8ed297f9992e166c [0,2,0,0,0,0|0,1,0]=3 7357 B12R1.53 CCCNC(C)Cc1ccsc1 fd308adacd82fd767acec410a845ad54 [0,2,0,0,0,0|2,0,0]=4 7358 B12R1.53 CCCNC(C)Cn1cccn1 c155b44d44a49228978526475964312c [0,2,0,0,0,0|2,0,0]=4 7359 B12R1.53 CCCN[C@@H](C)Cc1c[nH]cn1 b12f87461fa72faa8f469f7808eb1929 [0,2,0,0,0,0|2,0,0]=4 7360 B12R1.53 CCCN[C@H](C)Cc1c[nH]cn1 6b77e7edb5a24b4ed076917475701c34 [0,2,0,0,0,0|2,0,0]=4 7361 B12R1.53 CCCOC(C)Cc1ccco1 b0bceb83e8bd3acd4daf5e7c5dea0ee0 [0,2,0,0,0,0|0,1,0]=3 7362 B12R1.53 CCCOC(C)Cc1ccsc1 89b4a7ae8361480698877a6b14b44eec [0,2,0,0,0,0|2,0,0]=4 7363 B12R1.53 CCNCC(C)Cn1cccn1 52ad97dd468c6e2ffb0f17bdb0084fbe [0,2,0,0,0,0|2,0,0]=4 7364 B12R1.53 CCNCC(O)Cn1cccn1 b8244a877e9f4bd3a13f30bc2de0286a [0,2,0,0,0,0|2,0,0]=4 7365 B12R1.53 CCOCC(=O)Nc1cccs1 07aa007292c76a667bc10215d842ee6a [0,2,0,0,0,0|1,0,1]=4 7366 B12R1.53 CCOCC(C)Cn1cccn1 a06bb7a1d032de12be39297973efc3f9 [0,2,0,0,0,0|2,0,0]=4 7367 B12R1.53 CCOCN(C)Cc1ccc[nH]1 517d3dd598fdb619bcabe0883625c607 [0,2,0,0,0,0|2,0,0]=4 7368 B12R1.53 CCOCN(C)Cc1ccco1 da259e60b96f352177d9333f99f75d1e [0,2,0,0,0,0|1,1,0]=4 7369 B12R1.53 CCOCN(C)Cc1nccs1 6446219d5d3b2786268ad49bde35f548 [0,2,0,0,0,0|2,0,0]=4 7370 B12R1.53 CCSCC(=O)Nc1cccs1 3c5ddbd3875ab3502eae0dadc2a1f9f0 [0,2,0,0,0,0|1,0,1]=4 7371 B12R1.53 CN(CCC#N)Cc1cccs1 2b27f90934b333521c0133834dc7bf4e [0,2,0,0,0,0|1,0,1]=4 7372 B12R1.53 CN(CCC=O)Cc1cccs1 9043a0e6a116200d8462f65969d4fef1 [0,2,0,0,0,0|1,0,1]=4 7373 B12R1.53 CN(CCCF)Cc1ccc[nH]1 734e01c8ca277fba9434639c1b3fa5d9 [0,2,0,0,0,0|2,0,0]=4 7374 B12R1.53 CN(CCCF)Cc1ccco1 504c2640158efba2a3155daf81292ac9 [0,2,0,0,0,0|1,1,0]=4 7375 B12R1.53 CN(CCCF)Cc1cccs1 6aae7a71aaf09f27bc139b85eb6f3ab8 [0,2,0,0,0,0|1,0,0]=3 7376 B12R1.53 CN(CCCF)Cc1cncs1 80f544904303c12d21d618f9f660c496 [0,2,0,0,0,0|2,0,0]=4 7377 B12R1.53 CN(CCCF)Cc1nccs1 2f176b23e02bdcd88f3cd2df26618ca7 [0,2,0,0,0,0|2,0,0]=4 7378 B12R1.53 CN(CCCO)Cc1ccc[nH]1 03686520f62a1b3aff11e92d87f04f9b [0,2,0,0,0,0|2,0,0]=4 7379 B12R1.53 CN(CCCO)Cc1ccco1 a86a2a4d419c6775fece8b13f3500847 [0,2,0,0,0,0|1,1,0]=4 7380 B12R1.53 CN(CCCO)Cc1cccs1 45884477ca6661e02ccad407e9a1a04d [0,2,0,0,0,0|1,0,0]=3 7381 B12R1.53 CN(CCCO)Cc1cncs1 e816ac980df75717ddf7bcc820317bf5 [0,2,0,0,0,0|2,0,0]=4 7382 B12R1.53 CN(CCCO)Cc1nccs1 236bc9be052944967d0b1825f6e29cf4 [0,2,0,0,0,0|2,0,0]=4 7383 B12R1.53 CN(CCCS)Cc1ccc[nH]1 c2b94b8ccb809884c8afafe2f0ab7546 [0,2,0,0,0,0|2,0,0]=4 7384 B12R1.53 CN(CCCS)Cc1ccco1 9770dee696118a66b2946e8c2eb9e4ff [0,2,0,0,0,0|1,1,0]=4 7385 B12R1.53 CN(CCCS)Cc1cccs1 62cddf890db712b65151a9d31ff3c503 [0,2,0,0,0,0|1,0,0]=3 7386 B12R1.53 CN(CCCS)Cc1cncs1 b3e6528345778ee2b5f70c40530f593d [0,2,0,0,0,0|2,0,0]=4 7387 B12R1.53 CN(CCCS)Cc1nccs1 9b6b4f8ef351ffa11ecfac9f22ac36ad [0,2,0,0,0,0|2,0,0]=4 7388 B12R1.53 CN(CCON)Cc1cccs1 1d7bdfdb637235203f89fd4dca790809 [0,2,0,0,0,0|2,0,0]=4 7389 B12R1.53 COCCC(=O)Nc1cccs1 7eb41b4774d30c8d1c06e96a626133f1 [0,2,0,0,0,0|1,0,1]=4 7390 B12R1.53 COCCN(C)Cc1ccc[nH]1 89e4e162380d466e46750cf6de5a1bb0 [0,2,0,0,0,0|2,0,0]=4 7391 B12R1.53 COCCN(C)Cc1ccco1 06ad638255d9ddc2edefd4f990434864 [0,2,0,0,0,0|1,1,0]=4 7392 B12R1.53 COCCN(C)Cc1cccs1 771fb0e133f5331a81211f272fead24d [0,2,0,0,0,0|1,0,0]=3 7393 B12R1.53 COCCN(C)Cc1cncs1 8a8887eb315d3fd61807802701f9acc6 [0,2,0,0,0,0|2,0,0]=4 7394 B12R1.53 COCCN(C)Cc1nccs1 6d38c6203f978ec25950afa5fdab4bda [0,2,0,0,0,0|2,0,0]=4 7395 B12R1.53 COCNC(C)Cc1ccc[nH]1 23aefa8fac6604ed7781922dfa1fa114 [0,2,0,0,0,0|2,0,0]=4 7396 B12R1.53 COCNC(C)Cc1ccco1 fc55606d0f0ffc57ae7e71f29fe36169 [0,2,0,0,0,0|1,1,0]=4 7397 B12R1.53 CSCCC(=O)Nc1cccs1 0c513cbbf40c0df40296a8e7177b7dc7 [0,2,0,0,0,0|1,0,1]=4 7398 B12R1.53 CSCCN(C)Cc1ccc[nH]1 74bf8d730f925ec6385242dfcd6437e0 [0,2,0,0,0,0|2,0,0]=4 7399 B12R1.53 CSCCN(C)Cc1ccco1 067f43766285e7f6bcfa17255e9e788a [0,2,0,0,0,0|1,1,0]=4 7400 B12R1.53 CSCCN(C)Cc1cccs1 dafe0591ae00fb6b1335cb81dc2c3447 [0,2,0,0,0,0|1,0,0]=3 7401 B12R1.53 CSCCN(C)Cc1cncs1 5e742fb00e1981c0b0445b08354cd3a3 [0,2,0,0,0,0|2,0,0]=4 7402 B12R1.53 CSCCN(C)Cc1nccs1 cf4e4e3d0576f6c59a9f68709239d3f4 [0,2,0,0,0,0|2,0,0]=4 7403 B12R1.53 CSCNC(C)Cc1ccc[nH]1 4780917a7120d623e837854952da956d [0,2,0,0,0,0|2,0,0]=4 7404 B12R1.53 CSCNC(C)Cc1ccco1 bea52478c72904033d1bd09971ff8a8a [0,2,0,0,0,0|1,1,0]=4 7405 B12R1.53 CSCOC(C)Cc1ccco1 218e4c63a39e220e49a55e7e36eb0d88 [0,2,0,0,0,0|1,1,0]=4 7406 B12R1.53 C[C@H](CCCO)Nc1ccns1 2c36caf2ccbd6b83c55918cd7bb17bcd [0,2,0,0,0,0|2,0,0]=4 7407 B12R1.53 C[C@H](CCCO)Nc1nccs1 0c1e818013b4204be51fd74bd1809645 [0,2,0,0,0,0|2,0,0]=4 7408 B12R1.53 O=C(CCCF)Nc1cccs1 fd6e68547c4672c4618d6439d5f6b2d5 [0,2,0,0,0,0|1,0,1]=4 7409 B12R1.53 O=C(CCCS)Nc1cccs1 0c2e9c4407d6deb67e2394f162ab245e [0,2,0,0,0,0|1,0,1]=4 7410 B12R1.53 O=C(Cc1cccs1)NCCBr 64c80ba5438da7ba430a9df83ef450b5 [0,2,0,0,0,0|1,0,1]=4 7411 B12R1.53 O=C(Cc1cccs1)NCCF eea339707fd2e62744be8a0391d11f8a [0,2,0,0,0,0|1,0,1]=4 7412 B12R1.53 O=C(Cc1cccs1)NCCI b6c2d090e6073e34438bcc25b41c1b70 [0,2,0,0,0,0|1,0,1]=4 7413 B12R1.53 O=C(Cc1cccs1)NCCO 076eadd42d74faabe55a48483b5aa746 [0,2,0,0,0,0|1,0,1]=4 7414 B12R1.53 O=C(Cc1cccs1)NCCS 1fce3fe26a97cc78c0ab442b4f3257b1 [0,2,0,0,0,0|1,0,1]=4 7415 B12R1.255 C/C(=C/CNCc1cccs1)/I 3348d8bdff6c7bea4c24885273cafff8 [0,2,0,0,0,0|0,0,2]=4 7416 B12R1.255 C/C(=C/COCc1cccs1)/Cl 670bec485082349718282764671cc7a1 [0,2,0,0,0,0|0,0,2]=4 7417 B12R1.255 C/C(=C/COCc1cccs1)/I 8a9862ee0c322a6d9e68b7fafb05826d [0,2,0,0,0,0|0,0,2]=4 7418 B12R1.255 C/C(=C\CNCc1cccs1)/Cl 99b8997e7517928e532a48b01166d23e [0,2,0,0,0,0|0,0,2]=4 7419 B12R1.255 C/C(=C\COCc1cccs1)/Cl f9221022da9526f724bb696c26b7af94 [0,2,0,0,0,0|0,0,2]=4 7420 B12R1.255 C=C(Br)CCOCc1cccs1 9a67ab6a14c69204fd1d608c4958afb5 [0,2,0,0,0,0|0,0,2]=4 7421 B12R1.255 C=C(Br)CNCCc1cccs1 76fd542f3731b8a8d6bbb864ba518aee [0,2,0,0,0,0|0,0,2]=4 7422 B12R1.255 C=C(Br)COCCc1cccs1 2fe680682efb4d9378d2022ec1367e17 [0,2,0,0,0,0|0,0,2]=4 7423 B12R1.255 C=C(C)CCCNc1cccs1 3f4b133454e46802f87d601f9fd0628d [0,2,0,0,0,0|0,0,1]=3 7424 B12R1.255 C=C(C)CCCNc1ccns1 c85e337258ffea05ea17eae4203493e5 [0,2,0,0,0,0|1,0,1]=4 7425 B12R1.255 C=C(C)CCCNc1cncs1 3cc7405dcc2b4e79cac377704c27e7ac [0,2,0,0,0,0|1,0,1]=4 7426 B12R1.255 C=C(C)CCCNc1nccs1 a20dff01ce3de46b894352730e10a6b6 [0,2,0,0,0,0|1,0,1]=4 7427 B12R1.255 C=C(C)CCCOc1ccco1 8c9da3099592bbe67258ecb0e10136ae [0,2,0,0,0,0|0,1,1]=4 7428 B12R1.255 C=C(C)CCCOc1nccs1 7bf4b66fa7c08483fd48cfeff0cc3fe0 [0,2,0,0,0,0|1,0,1]=4 7429 B12R1.255 C=C(C)CCNCc1ccc[nH]1 96f7859e2378e115d1b2850abef4e83f [0,2,0,0,0,0|1,0,1]=4 7430 B12R1.255 C=C(C)CCNCc1ccco1 aa2bbc7838299ef6a87dc40a41ba6abd [0,2,0,0,0,0|0,1,1]=4 7431 B12R1.255 C=C(C)CCNCc1cccs1 5c41dbcc98506f766d1c0ca87307da1c [0,2,0,0,0,0|0,0,1]=3 7432 B12R1.255 C=C(C)CCNCc1ccns1 9d67f90d8cad209c424bdd68ff0b2545 [0,2,0,0,0,0|1,0,1]=4 7433 B12R1.255 C=C(C)CCNCc1cncs1 253d50aee9e81ecb1d0b7bd29cf7d3eb [0,2,0,0,0,0|1,0,1]=4 7434 B12R1.255 C=C(C)CCNCc1nccs1 93fffe2e87d07af38f8d6ac047a4baa9 [0,2,0,0,0,0|1,0,1]=4 7435 B12R1.255 C=C(C)CCOCc1ccc[nH]1 2be9e709d1053f404fd8490686ea84da [0,2,0,0,0,0|1,0,1]=4 7436 B12R1.255 C=C(C)CCOCc1ccco1 172c290673ebb58285947b21506e0ed9 [0,2,0,0,0,0|0,1,1]=4 7437 B12R1.255 C=C(C)CCOCc1cccs1 a18b9b014e604ee4a593899da3bbf86e [0,2,0,0,0,0|0,0,1]=3 7438 B12R1.255 C=C(C)CCOCc1ccns1 6176379b434275e63faa8216abe4b14e [0,2,0,0,0,0|1,0,1]=4 7439 B12R1.255 C=C(C)CCOCc1cncs1 0c8ac9764fee18e7786952fc7ff30b78 [0,2,0,0,0,0|1,0,1]=4 7440 B12R1.255 C=C(C)CCOCc1nccs1 644478c67896710f3ff01405367206f7 [0,2,0,0,0,0|1,0,1]=4 7441 B12R1.255 C=C(C)CNCCc1ccc[nH]1 d7ed3051e5b6f45e2cd3dfab3595fb5c [0,2,0,0,0,0|1,0,1]=4 7442 B12R1.255 C=C(C)CNCCc1ccco1 e71ed1eb849ed6ebe64b9b0571b3c248 [0,2,0,0,0,0|0,1,1]=4 7443 B12R1.255 C=C(C)CNCCc1cccs1 ed46a9cf9921c92198af1ba913954c4a [0,2,0,0,0,0|0,0,1]=3 7444 B12R1.255 C=C(C)CNCCc1nccs1 4cc08d9113037721529f7a958da5ea40 [0,2,0,0,0,0|1,0,1]=4 7445 B12R1.255 C=C(C)COCCc1ccc[nH]1 c0401f3291422b3bc709eb39561dc98a [0,2,0,0,0,0|1,0,1]=4 7446 B12R1.255 C=C(C)COCCc1ccco1 907540e8bf74f821ffe60c1e7504c1b9 [0,2,0,0,0,0|0,1,1]=4 7447 B12R1.255 C=C(C)COCCc1cccs1 14b4534cc4cc7add15c2b0c4dbd1ebcf [0,2,0,0,0,0|0,0,1]=3 7448 B12R1.255 C=C(C)COCCc1nccs1 563c4c142cc17789447b4c2d20390ca6 [0,2,0,0,0,0|1,0,1]=4 7449 B12R1.255 C=C(Cl)COCCc1cccs1 08d9523cf1a4c10766f74c14329e19da [0,2,0,0,0,0|0,0,2]=4 7450 B12R1.255 C=C(F)CNCCc1cccs1 8dca26a0439f6ec59fe79421d4ffe5a2 [0,2,0,0,0,0|0,0,2]=4 7451 B12R1.255 C=C(F)COCCc1cccs1 45845a89ead449f1c16bc35e649ba9f6 [0,2,0,0,0,0|0,0,2]=4 7452 B12R1.255 C=C(I)COCCc1cccs1 850356a40a425655c520ff66a05e2c51 [0,2,0,0,0,0|0,0,2]=4 7453 B12R1.255 CC(=CCCNc1cccs1)C b3428d460c89e7b46e13bac3a0252869 [0,2,0,0,0,0|0,0,2]=4 7454 B12R1.255 CC(=CCCOc1cccs1)C aa98bc6fc42a620518c1d7591332e277 [0,2,0,0,0,0|0,0,2]=4 7455 B12R1.255 CC(=CCNCc1cccs1)C e79fef6f30673032c6b5391c1ce6203f [0,2,0,0,0,0|0,0,2]=4 7456 B12R1.255 CC(=CCNCc1cccs1)Cl 5e31fec46e17330cdbc9291d0d8cb7a8 [0,2,0,0,0,0|0,0,2]=4 7457 B12R1.255 CC(=CCNCc1cccs1)I 900abb682b7c363ebb3ff7daa91da28b [0,2,0,0,0,0|0,0,2]=4 7458 B12R1.255 CC(=CCOCc1cccs1)C b5c7ef8c82aefd0ae96086a843517d80 [0,2,0,0,0,0|0,0,2]=4 7459 B12R1.255 CC(=CCOCc1cccs1)Cl daa8d2d5f7afc93ade8642a6ee9a3725 [0,2,0,0,0,0|0,0,2]=4 7460 B12R1.255 CC(=CCOCc1cccs1)I 0b8dc4967361fcc0fbbde38892570279 [0,2,0,0,0,0|0,0,2]=4 7461 B12R1.255 CC(=O)CCCNc1cccs1 3533038623349dc11f21a8b98ed58548 [0,2,0,0,0,0|0,0,1]=3 7462 B12R1.255 CC(=O)CCCNc1ccns1 568be1af72c6efed26cafdf5735aebc7 [0,2,0,0,0,0|1,0,1]=4 7463 B12R1.255 CC(=O)CCCNc1cncs1 32cd8b27395c5e8c5639cd2e4e80a4bd [0,2,0,0,0,0|1,0,1]=4 7464 B12R1.255 CC(=O)CCCNc1nccs1 2d89a0ea4d314c16ea02f911a78b3ae4 [0,2,0,0,0,0|1,0,1]=4 7465 B12R1.255 CC(=O)CCCOc1ccco1 f00e61f445dc6ee381836d29a67abaed [0,2,0,0,0,0|0,1,1]=4 7466 B12R1.255 CC(=O)CCCOc1cccs1 fdbe6c6ac6d7cc74ad5226a55e50b681 [0,2,0,0,0,0|0,0,1]=3 7467 B12R1.255 CC(=O)CCCOc1nccs1 d2b472626114f40c2e63d78b5c96eb2a [0,2,0,0,0,0|1,0,1]=4 7468 B12R1.255 CC(=O)CCNCc1ccc[nH]1 9b5627f8ee979e3cb705edcf1121d22b [0,2,0,0,0,0|1,0,1]=4 7469 B12R1.255 CC(=O)CCNCc1ccco1 88fb4b8d3b60021a60c70d858800ba28 [0,2,0,0,0,0|0,1,1]=4 7470 B12R1.255 CC(=O)CCNCc1cccs1 434fcc6d3b3186d12b3fd048a811c33a [0,2,0,0,0,0|0,0,1]=3 7471 B12R1.255 CC(=O)CCNCc1ccns1 dae0591978c2b5cd638eb4e8b65bc314 [0,2,0,0,0,0|1,0,1]=4 7472 B12R1.255 CC(=O)CCNCc1cncs1 856d83c0ca0d01226c7ae56fab131e1b [0,2,0,0,0,0|1,0,1]=4 7473 B12R1.255 CC(=O)CCNCc1nccs1 530dd6345ee685ecc0bbda2254cd67ed [0,2,0,0,0,0|1,0,1]=4 7474 B12R1.255 CC(=O)CCOCc1ccc[nH]1 7c081328c3e3b08c6b1076a30ffe4717 [0,2,0,0,0,0|1,0,1]=4 7475 B12R1.255 CC(=O)CCOCc1ccco1 8c882a70fc6ceb65186f83d1f22dd2e7 [0,2,0,0,0,0|0,1,1]=4 7476 B12R1.255 CC(=O)CCOCc1cccs1 f16401d6798282ad4782e7afe706d353 [0,2,0,0,0,0|0,0,1]=3 7477 B12R1.255 CC(=O)CCOCc1ccns1 2919a51b804c50025086c2a4f7f99338 [0,2,0,0,0,0|1,0,1]=4 7478 B12R1.255 CC(=O)CCOCc1cncs1 4789db9d2571d10f5a7e7b538fb7bd33 [0,2,0,0,0,0|1,0,1]=4 7479 B12R1.255 CC(=O)CCOCc1nccs1 5b2a8c0e5d4e062d8248cea8ae2eee21 [0,2,0,0,0,0|1,0,1]=4 7480 B12R1.255 CC(=O)CNCCc1cccs1 28b073b661eeda62f9d1e15484e88d1d [0,2,0,0,0,0|0,0,1]=3 7481 B12R1.255 CC(=O)COCCc1cccs1 1429fcea1ed51e0c2471b3e0c0959bfd [0,2,0,0,0,0|0,0,1]=3 7482 B12R1.255 CC(=O)NCCCc1ccco1 e1aa4320962591f5a687835bb172466e [0,2,0,0,0,0|0,1,1]=4 7483 B12R1.255 CC(=O)NCCCc1cccs1 917fd69e3534cdf219a2d9a26477a872 [0,2,0,0,0,0|0,0,1]=3 7484 B12R1.255 CC(=O)NCCNc1cccs1 2521f2a8f803be736c1d1fa5bf67eb80 [0,2,0,0,0,0|1,0,1]=4 7485 B12R1.255 CC(=O)NCCOc1cccs1 0352caf0d8868c165ffebe393229173e [0,2,0,0,0,0|1,0,1]=4 7486 B12R1.255 CC(=O)NCOCc1cccs1 8801ae8ae3fe9f550173b61a2e88b077 [0,2,0,0,0,0|1,0,1]=4 7487 B12R1.255 CC(=O)OCCNc1cccs1 fe698497c2f5a7b4634f770efc9fbbd5 [0,2,0,0,0,0|1,0,1]=4 7488 B12R1.255 CC(=O)OCCOc1cccs1 169b1d0f25fc492249ecd6050e668ba0 [0,2,0,0,0,0|1,0,1]=4 7489 B12R1.255 CC(=O)OCNCc1cccs1 6187085c5e41f58018c5b643b59dabfe [0,2,0,0,0,0|1,0,1]=4 7490 B12R1.255 CC(=O)OCOCc1cccs1 d0a768db9043c08159530735f4d00ce4 [0,2,0,0,0,0|1,0,1]=4 7491 B12R1.255 CC(=O)SCCNc1cccs1 57567ee9fe3ccfe39354f36f5ccc582b [0,2,0,0,0,0|1,0,1]=4 7492 B12R1.255 CC(=O)SCCOc1cccs1 5821f5d023d9347fee830d2270c1abc4 [0,2,0,0,0,0|1,0,1]=4 7493 B12R1.255 CC(C)/C=C/CNc1cccs1 63d9b3abdffa7e2cb9316caca1ad9b70 [0,2,0,0,0,0|0,0,2]=4 7494 B12R1.255 CC(C)/C=C/COc1cccs1 bb1e4e7ba0b4bd48f64e135977844cdf [0,2,0,0,0,0|0,0,2]=4 7495 B12R1.255 CC(C)CCCNc1c[nH]cn1 1d12d46ab5e904238ae7a6c9d87a7ab8 [0,2,0,0,0,0|2,0,0]=4 7496 B12R1.255 CC(C)CCCNc1cc[nH]n1 7828d269b249dadd800eedd2ba13f1a2 [0,2,0,0,0,0|2,0,0]=4 7497 B12R1.255 CC(C)CCCNc1ccco1 5cfc5e2b49ff4e04efcd5d481c1297a9 [0,2,0,0,0,0|0,1,0]=3 7498 B12R1.255 CC(C)CCCNc1cccs1 82f0320240cadcd2c043ad834f7220c9 [0,2,0,0,0,0|0,0,0]=2 7499 B12R1.255 CC(C)CCCNc1ccno1 1774082aba5fe84108747543a6003501 [0,2,0,0,0,0|1,1,0]=4 7500 B12R1.255 CC(C)CCCNc1ccns1 b1afe440253ed9d980daa41fff8d6afe [0,2,0,0,0,0|1,0,0]=3 7501 B12R1.255 CC(C)CCCNc1ccoc1 db5ce9cdac45cd3ef4d683d00692171c [0,2,0,0,0,0|2,0,0]=4 7502 B12R1.255 CC(C)CCCNc1ccon1 0e70c2a1843cb2f1bfae1b8e6531c45b [0,2,0,0,0,0|2,0,0]=4 7503 B12R1.255 CC(C)CCCNc1ccsc1 221944756f906248563774f2d72fada2 [0,2,0,0,0,0|2,0,0]=4 7504 B12R1.255 CC(C)CCCNc1ccsn1 baba2508576579c1341a33a80bb6e415 [0,2,0,0,0,0|2,0,0]=4 7505 B12R1.255 CC(C)CCCNc1cncs1 a4144c39b648fd06ae94ba0ccfead0d1 [0,2,0,0,0,0|1,0,0]=3 7506 B12R1.255 CC(C)CCCNc1cnns1 87079ee601870ff07cebb81e694b7a67 [0,2,0,0,0,0|2,0,0]=4 7507 B12R1.255 CC(C)CCCNc1cocn1 a7ea7470bac9a7f6cca47317244fe38b [0,2,0,0,0,0|2,0,0]=4 7508 B12R1.255 CC(C)CCCNc1cscn1 542a44bb120c6139d63d2a4c0ce46de6 [0,2,0,0,0,0|2,0,0]=4 7509 B12R1.255 CC(C)CCCNc1ncc[nH]1 8c49e2f50c7e8ac5ed8f913e906eae8d [0,2,0,0,0,0|2,0,0]=4 7510 B12R1.255 CC(C)CCCNc1ncco1 42fd2d3cb0b863cef3fb58017b81b6dc [0,2,0,0,0,0|1,1,0]=4 7511 B12R1.255 CC(C)CCCNc1nccs1 f36ef042de8b01e17054b3c9d2e492ce [0,2,0,0,0,0|1,0,0]=3 7512 B12R1.255 CC(C)CCCNc1ncns1 0fbf7dcb204a51326541455fcc8920b2 [0,2,0,0,0,0|2,0,0]=4 7513 B12R1.255 CC(C)CCCNc1nncs1 66504878788802e66aa7bd43ed3f1f13 [0,2,0,0,0,0|2,0,0]=4 7514 B12R1.255 CC(C)CCCOc1c[nH]cn1 39c0cdf09b2c4f190ce300dc432d2230 [0,2,0,0,0,0|2,0,0]=4 7515 B12R1.255 CC(C)CCCOc1ccco1 dcd08fc2879004fa861e59b09cf5db01 [0,2,0,0,0,0|0,1,0]=3 7516 B12R1.255 CC(C)CCCOc1cccs1 40ae8fd500da42b4802efc4f542f3cfa [0,2,0,0,0,0|0,0,0]=2 7517 B12R1.255 CC(C)CCCOc1ccn[nH]1 f99a2c75a3c5e61f3758d2c30c23e986 [0,2,0,0,0,0|2,0,0]=4 7518 B12R1.255 CC(C)CCCOc1ccsc1 3047c26e46244cb10ffbb0192b933e93 [0,2,0,0,0,0|2,0,0]=4 7519 B12R1.255 CC(C)CCCOc1nccs1 513c78f879d9b4080f153427e4886fbd [0,2,0,0,0,0|1,0,0]=3 7520 B12R1.255 CC(C)CCCOc1nncs1 9ced3b685bb29747b8fc6b588b149a2d [0,2,0,0,0,0|2,0,0]=4 7521 B12R1.255 CC(C)CCCOn1cccn1 bf5b23d9e2616dc7bf53989723266d90 [0,2,0,0,0,0|2,0,0]=4 7522 B12R1.255 CC(C)CCNCc1cc[nH]c1 e251d97b9b476330da8eb676b5584d86 [0,2,0,0,0,0|2,0,0]=4 7523 B12R1.255 CC(C)CCNCc1ccc[nH]1 a0fdff511339dffb5658283a9a441cef [0,2,0,0,0,0|1,0,0]=3 7524 B12R1.255 CC(C)CCNCc1ccco1 0cf3816b4cb4f5cbcebaf205e822f591 [0,2,0,0,0,0|0,1,0]=3 7525 B12R1.255 CC(C)CCNCc1cccs1 3f42e894a9a29dda3ec0f200ae325891 [0,2,0,0,0,0|0,0,0]=2 7526 B12R1.255 CC(C)CCNCc1ccn[nH]1 df8ab6d175e1d31cdada2ce88100383c [0,2,0,0,0,0|2,0,0]=4 7527 B12R1.255 CC(C)CCNCc1ccno1 aee490ee4c5e2da502e496ef3bcbfee0 [0,2,0,0,0,0|1,1,0]=4 7528 B12R1.255 CC(C)CCNCc1ccns1 d60840e046b10de79340b94f26fed946 [0,2,0,0,0,0|1,0,0]=3 7529 B12R1.255 CC(C)CCNCc1ccoc1 9f0672188ecdcaa4bc02105f03af9698 [0,2,0,0,0,0|2,0,0]=4 7530 B12R1.255 CC(C)CCNCc1ccon1 6d2aa871349177bc8d0f667f8a531d2a [0,2,0,0,0,0|2,0,0]=4 7531 B12R1.255 CC(C)CCNCc1ccsc1 35a39662b1e9201f577c0ea6efb42465 [0,2,0,0,0,0|2,0,0]=4 7532 B12R1.255 CC(C)CCNCc1ccsn1 5d8a1e488cd4ae036bc85de555666c27 [0,2,0,0,0,0|2,0,0]=4 7533 B12R1.255 CC(C)CCNCc1cnc[nH]1 17186c61ec94fa254db9532cbb462afb [0,2,0,0,0,0|2,0,0]=4 7534 B12R1.255 CC(C)CCNCc1cnco1 7283419da7093362649979156cd0b4a1 [0,2,0,0,0,0|1,1,0]=4 7535 B12R1.255 CC(C)CCNCc1cncs1 91515c81585b1c22ef72b20435007d6f [0,2,0,0,0,0|1,0,0]=3 7536 B12R1.255 CC(C)CCNCc1cocn1 cbccd38af9bc53ff42f42f3730a9cab0 [0,2,0,0,0,0|2,0,0]=4 7537 B12R1.255 CC(C)CCNCc1cscn1 8d817c67ab679f485c4511cc2301c79e [0,2,0,0,0,0|2,0,0]=4 7538 B12R1.255 CC(C)CCNCc1ncc[nH]1 3a2b29fe8dac4821373bed1eae5710c1 [0,2,0,0,0,0|2,0,0]=4 7539 B12R1.255 CC(C)CCNCc1ncco1 038d2d2463abf96169180e3d04d90dd4 [0,2,0,0,0,0|1,1,0]=4 7540 B12R1.255 CC(C)CCNCc1nccs1 f386bd896b0327db21400bd61e8fe639 [0,2,0,0,0,0|1,0,0]=3 7541 B12R1.255 CC(C)CCOCc1cc[nH]c1 cadc206c0ef2f562cae35ae4092edde8 [0,2,0,0,0,0|2,0,0]=4 7542 B12R1.255 CC(C)CCOCc1ccc[nH]1 f7206f12f79d437f50b71e92302f19f1 [0,2,0,0,0,0|1,0,0]=3 7543 B12R1.255 CC(C)CCOCc1ccco1 dea6f0e1643601988f69fd6498c08a87 [0,2,0,0,0,0|0,1,0]=3 7544 B12R1.255 CC(C)CCOCc1cccs1 c640b52ed684e95b8d9f770f1197d8b4 [0,2,0,0,0,0|0,0,0]=2 7545 B12R1.255 CC(C)CCOCc1ccn[nH]1 0f07d72f105182704100787f05eafe1d [0,2,0,0,0,0|2,0,0]=4 7546 B12R1.255 CC(C)CCOCc1ccno1 eef161f30f91b4e47d4276866feab8e8 [0,2,0,0,0,0|1,1,0]=4 7547 B12R1.255 CC(C)CCOCc1ccns1 f07a539960b414f6d27560368538f9ea [0,2,0,0,0,0|1,0,0]=3 7548 B12R1.255 CC(C)CCOCc1ccoc1 5b1343a8e903715aa59376f03e4988c1 [0,2,0,0,0,0|2,0,0]=4 7549 B12R1.255 CC(C)CCOCc1ccon1 d1cc1a9f2fd8356f08b3bd44e68aca6b [0,2,0,0,0,0|2,0,0]=4 7550 B12R1.255 CC(C)CCOCc1ccsc1 49fd251607c8d723559e21c0aa470304 [0,2,0,0,0,0|2,0,0]=4 7551 B12R1.255 CC(C)CCOCc1ccsn1 8756bdf908a5b5da203dc937a5d12a4d [0,2,0,0,0,0|2,0,0]=4 7552 B12R1.255 CC(C)CCOCc1cnc[nH]1 f425b3c0c77c866919047f2a3631f964 [0,2,0,0,0,0|2,0,0]=4 7553 B12R1.255 CC(C)CCOCc1cnco1 e7442d44d342c0027052434370bf4256 [0,2,0,0,0,0|1,1,0]=4 7554 B12R1.255 CC(C)CCOCc1cncs1 91391d939aa80e82f04e012a3630ffca [0,2,0,0,0,0|1,0,0]=3 7555 B12R1.255 CC(C)CCOCc1cocn1 6f2e7c1859b0a9821fdc1d98b6abeb5e [0,2,0,0,0,0|2,0,0]=4 7556 B12R1.255 CC(C)CCOCc1cscn1 593e3a8e41b800bb2efb02a1b6ed8649 [0,2,0,0,0,0|2,0,0]=4 7557 B12R1.255 CC(C)CCOCc1ncc[nH]1 d98dc4d405eb2cd531f4cbaa01d1fa78 [0,2,0,0,0,0|2,0,0]=4 7558 B12R1.255 CC(C)CCOCc1ncco1 b311d017e37c2dabce5f5e0eb31f177a [0,2,0,0,0,0|1,1,0]=4 7559 B12R1.255 CC(C)CCOCc1nccs1 11c9d794f368f0115538f9a3702e349a [0,2,0,0,0,0|1,0,0]=3 7560 B12R1.255 CC(C)CCOCc1ncns1 69aa53e492c5c5c4efbe917e96a129d9 [0,2,0,0,0,0|2,0,0]=4 7561 B12R1.255 CC(C)CCOCn1cccn1 e52aa04b20f53034b1916d857ac40699 [0,2,0,0,0,0|2,0,0]=4 7562 B12R1.255 CC(C)CNCCc1c[nH]cn1 5fe4f06338de5343e6539cb2cdf3233d [0,2,0,0,0,0|2,0,0]=4 7563 B12R1.255 CC(C)CNCCc1cc[nH]n1 aee5110c97055269271ef98d49b9da13 [0,2,0,0,0,0|2,0,0]=4 7564 B12R1.255 CC(C)CNCCc1ccc[nH]1 319734fac88f6f898443a89ca242e8a3 [0,2,0,0,0,0|1,0,0]=3 7565 B12R1.255 CC(C)CNCCc1ccco1 5b6fd40f8b7047feb3e8a2b0e034f7f9 [0,2,0,0,0,0|0,1,0]=3 7566 B12R1.255 CC(C)CNCCc1cccs1 d5ff789911675cb1d93fd90b18cbc293 [0,2,0,0,0,0|0,0,0]=2 7567 B12R1.255 CC(C)CNCCc1ccsc1 61dfb2fcc0d67fba6a00ac4bab032d13 [0,2,0,0,0,0|2,0,0]=4 7568 B12R1.255 CC(C)CNCCc1cscn1 7b1b467a12f950c56649537afe229157 [0,2,0,0,0,0|2,0,0]=4 7569 B12R1.255 CC(C)CNCCc1ncc[nH]1 a64b0781eab65b1e6d44ba19ce2329d4 [0,2,0,0,0,0|2,0,0]=4 7570 B12R1.255 CC(C)CNCCc1nccs1 3c80ff31a1e9384d1e7e84b30258de33 [0,2,0,0,0,0|1,0,0]=3 7571 B12R1.255 CC(C)CNCCc1nncs1 7aacb436b73120300b86e4a2f2c3698b [0,2,0,0,0,0|2,0,0]=4 7572 B12R1.255 CC(C)CNCCn1cccc1 e32ed327dce2f8d8d932ea17a3e4fe4c [0,2,0,0,0,0|2,0,0]=4 7573 B12R1.255 CC(C)CNCCn1cccn1 7ec5ca27c8ed01a48f0e4f42efdecd30 [0,2,0,0,0,0|2,0,0]=4 7574 B12R1.255 CC(C)COCCc1c[nH]cn1 f00b0d7aba882e7ef4c72bdc2d138af7 [0,2,0,0,0,0|2,0,0]=4 7575 B12R1.255 CC(C)COCCc1cc[nH]n1 18ea3bf67f857033d7a782b17b81132f [0,2,0,0,0,0|2,0,0]=4 7576 B12R1.255 CC(C)COCCc1ccc[nH]1 682fc7a6cb126720e79c980dd24e4532 [0,2,0,0,0,0|1,0,0]=3 7577 B12R1.255 CC(C)COCCc1ccco1 a14e1c063b13d5dfb226ed4ae28ba944 [0,2,0,0,0,0|0,1,0]=3 7578 B12R1.255 CC(C)COCCc1cccs1 1b3de1e4a1c2b6be2b70964cf8b46871 [0,2,0,0,0,0|0,0,0]=2 7579 B12R1.255 CC(C)COCCc1ccoc1 2fa4a4b797f55b992b1e824a417c058d [0,2,0,0,0,0|2,0,0]=4 7580 B12R1.255 CC(C)COCCc1ccon1 0a640cb8f77e0545c9d1844820efe3dd [0,2,0,0,0,0|2,0,0]=4 7581 B12R1.255 CC(C)COCCc1ccsc1 75659b4648d1bd2f091dfbffed14b070 [0,2,0,0,0,0|2,0,0]=4 7582 B12R1.255 CC(C)COCCc1cscn1 66ae3255ec73e9ee4f7785e937867ead [0,2,0,0,0,0|2,0,0]=4 7583 B12R1.255 CC(C)COCCc1ncc[nH]1 512b7fe12afeb5959ab64e9f710a227c [0,2,0,0,0,0|2,0,0]=4 7584 B12R1.255 CC(C)COCCc1nccs1 b49d6f97fe82f12934887460e7723bbe [0,2,0,0,0,0|1,0,0]=3 7585 B12R1.255 CC(C)COCCn1cccc1 9644c6679b00e550078fc95280805b69 [0,2,0,0,0,0|2,0,0]=4 7586 B12R1.255 CC(C)COCCn1cccn1 e4680d3bbf5243100dfd8e0d48b4ff16 [0,2,0,0,0,0|2,0,0]=4 7587 B12R1.255 CC(C)NCCCc1c[nH]cn1 0634568923ffa1ffeb731c771e117350 [0,2,0,0,0,0|2,0,0]=4 7588 B12R1.255 CC(C)NCCCc1ccco1 735124c36a5b5a0ac384c480800e6c01 [0,2,0,0,0,0|0,1,0]=3 7589 B12R1.255 CC(C)NCCCc1ncc[nH]1 396e90f514f0aea184c5843e74ef5e93 [0,2,0,0,0,0|2,0,0]=4 7590 B12R1.255 CC(C)NCCCn1cccc1 1a70749a51075408b429de94e610b24a [0,2,0,0,0,0|2,0,0]=4 7591 B12R1.255 CC(C)NCCCn1cccn1 4cad283539975dd1a7f32a17ea00ab44 [0,2,0,0,0,0|2,0,0]=4 7592 B12R1.255 CC(C)OCCCc1ccco1 12c76d8e5532bb5378a87d0a2d018feb [0,2,0,0,0,0|0,1,0]=3 7593 B12R1.255 CC(C)OCCCc1cccs1 b62356003ef0c457b617343e16c97ede [0,2,0,0,0,0|0,0,0]=2 7594 B12R1.255 CC(C)OCCCc1ccsc1 8ccdd5f807d8aaeea59719a1ee87333a [0,2,0,0,0,0|2,0,0]=4 7595 B12R1.255 CC(C)OCCCc1cnc[nH]1 354ace7a23756a73750b7aa2d38d71cc [0,2,0,0,0,0|2,0,0]=4 7596 B12R1.255 CC(C)OCCCn1cccc1 283ea093eced1503e71be10f89be1529 [0,2,0,0,0,0|2,0,0]=4 7597 B12R1.255 CC(C)OCCCn1cccn1 083bd0cf96eea4452b5c473d3fe376f2 [0,2,0,0,0,0|2,0,0]=4 7598 B12R1.255 CC(C)OCCNc1ccco1 2ae00eb00ea1b81dfbd3ba052f1ce433 [0,2,0,0,0,0|1,1,0]=4 7599 B12R1.255 CC(C)OCCNc1cccs1 f5fad1ecf4a31b93a7f13a410f11501e [0,2,0,0,0,0|1,0,0]=3 7600 B12R1.255 CC(C)OCCNc1ccns1 1dc20c936e194b58f29ed5b039ddf3af [0,2,0,0,0,0|2,0,0]=4 7601 B12R1.255 CC(C)OCCNc1cncs1 23620ca7a8f0e2c035969433cba244c8 [0,2,0,0,0,0|2,0,0]=4 7602 B12R1.255 CC(C)OCCNc1nccs1 32061c366927f84d73af5ca59c9a6351 [0,2,0,0,0,0|2,0,0]=4 7603 B12R1.255 CC(C)OCCOc1ccco1 3524f9c63c0a58b96ea19775048be154 [0,2,0,0,0,0|1,1,0]=4 7604 B12R1.255 CC(C)OCCOc1cccs1 1b5c9b603587099b3e89925232c1aad1 [0,2,0,0,0,0|1,0,0]=3 7605 B12R1.255 CC(C)OCCOc1nccs1 db67ed52b0f385c6ea70c23ec3d79686 [0,2,0,0,0,0|2,0,0]=4 7606 B12R1.255 CC(C)OCCSc1cccs1 4a6ce5fe9782b2f733235ded830c4ef8 [0,2,0,0,0,0|1,0,0]=3 7607 B12R1.255 CC(C)OCNCc1ccc[nH]1 646017af84eae87e7d788200148565fe [0,2,0,0,0,0|2,0,0]=4 7608 B12R1.255 CC(C)OCNCc1ccco1 f03b53c0255e24bd76b71a6e1a488c8b [0,2,0,0,0,0|1,1,0]=4 7609 B12R1.255 CC(C)OCNCc1cccs1 35e4c759aabcfe3c17bd525b43778ede [0,2,0,0,0,0|1,0,0]=3 7610 B12R1.255 CC(C)OCNCc1ccns1 410de35f9011f320cdb66ecbb750bac8 [0,2,0,0,0,0|2,0,0]=4 7611 B12R1.255 CC(C)OCNCc1cncs1 a21f970b2e586052df74d4ef1ae4bc60 [0,2,0,0,0,0|2,0,0]=4 7612 B12R1.255 CC(C)OCNCc1nccs1 6d3ff41497d8946818ee1f4393464043 [0,2,0,0,0,0|2,0,0]=4 7613 B12R1.255 CC(C)OCOCc1ccc[nH]1 e8a1bd012e4df598c40165bf3dd0827c [0,2,0,0,0,0|2,0,0]=4 7614 B12R1.255 CC(C)OCOCc1ccco1 f7f97f1d95c060bd72b5276bfc5cbdb1 [0,2,0,0,0,0|1,1,0]=4 7615 B12R1.255 CC(C)OCOCc1ccns1 256ff133677694172e943de92d25eaae [0,2,0,0,0,0|2,0,0]=4 7616 B12R1.255 CC(C)OCOCc1nccs1 8b3db617bef6f91e8bd7fc0d86a63b74 [0,2,0,0,0,0|2,0,0]=4 7617 B12R1.255 CC(C)SCCNc1cccs1 75435dd562cca2bc583d383becde85c6 [0,2,0,0,0,0|1,0,0]=3 7618 B12R1.255 CC(C)SCCNc1ccns1 0690de940b60ed6fedb6a703ca86a648 [0,2,0,0,0,0|2,0,0]=4 7619 B12R1.255 CC(C)SCCNc1cncs1 add721937950396ee3bafa98d21b3908 [0,2,0,0,0,0|2,0,0]=4 7620 B12R1.255 CC(C)SCCNc1nccs1 7e8b9fa42dce5576f9a58395ca860df9 [0,2,0,0,0,0|2,0,0]=4 7621 B12R1.255 CC(C)SCCOc1ccco1 ad4927df1b1d1feb434ab48186f731f9 [0,2,0,0,0,0|1,1,0]=4 7622 B12R1.255 CC(C)SCCOc1cccs1 d969a9936a66b4ff54d69fbd45901d5a [0,2,0,0,0,0|1,0,0]=3 7623 B12R1.255 CC(C)SCCOc1nccs1 e824d2d557c65945db566adbec022f81 [0,2,0,0,0,0|2,0,0]=4 7624 B12R1.255 CC(F)COCCc1c[nH]cn1 11b921ed2763aa5fabf3934b48acacbe [0,2,0,0,0,0|2,0,0]=4 7625 B12R1.255 CC(F)COCCc1cccs1 b166e84a55d891e177f5ce1076116367 [0,2,0,0,0,0|0,0,0]=2 7626 B12R1.255 CC(F)COCCc1ccsc1 16022679137eb49c8513be8d15d73f8c [0,2,0,0,0,0|2,0,0]=4 7627 B12R1.255 CC(F)COCCc1cscn1 0159c0a45fba3056b2fa381bb4c2efa6 [0,2,0,0,0,0|2,0,0]=4 7628 B12R1.255 CC(F)COCCn1cccc1 b570268e80f27b04aa88ff9d8a307da0 [0,2,0,0,0,0|2,0,0]=4 7629 B12R1.255 CC(F)COCCn1cccn1 82628ee73c5b1ed6623e3a358e9cbbba [0,2,0,0,0,0|2,0,0]=4 7630 B12R1.255 CC(O)CCCNc1cc[nH]n1 5720fc6f06fd3fc440267ac8b462a4af [0,2,0,0,0,0|2,0,0]=4 7631 B12R1.255 CC(O)CCCNc1cccs1 94684098b0c1afbb69a559c720967688 [0,2,0,0,0,0|0,0,0]=2 7632 B12R1.255 CC(O)CCCNc1ccno1 50369eafd32c27b9c4ba702a8e3ab62c [0,2,0,0,0,0|1,1,0]=4 7633 B12R1.255 CC(O)CCCNc1ccns1 a3212276d94bbc4df6857e3904649c35 [0,2,0,0,0,0|1,0,0]=3 7634 B12R1.255 CC(O)CCCNc1ccon1 1a20f1f5129f505a29ad01e1e3c11acc [0,2,0,0,0,0|2,0,0]=4 7635 B12R1.255 CC(O)CCCNc1ccsc1 5b8fd18df0b7f979a9c8ccbcd75ffe51 [0,2,0,0,0,0|2,0,0]=4 7636 B12R1.255 CC(O)CCCNc1cncs1 35d5aa1d420ff16a5d5eacb1aa59f2d4 [0,2,0,0,0,0|1,0,0]=3 7637 B12R1.255 CC(O)CCCNc1cnns1 9637fc17725f1bcd609affbe6525983f [0,2,0,0,0,0|2,0,0]=4 7638 B12R1.255 CC(O)CCCNc1cocn1 17939cf9ad2cb709552225f674e54f33 [0,2,0,0,0,0|2,0,0]=4 7639 B12R1.255 CC(O)CCCNc1cscn1 e73ae6cff0bd5e25e96ae1aaec955f77 [0,2,0,0,0,0|2,0,0]=4 7640 B12R1.255 CC(O)CCCNc1ncc[nH]1 a6b49c36903146280c62b710d378a667 [0,2,0,0,0,0|2,0,0]=4 7641 B12R1.255 CC(O)CCCNc1ncco1 e20ae9158bf6ae6888eed6ae33e1bc26 [0,2,0,0,0,0|1,1,0]=4 7642 B12R1.255 CC(O)CCCNc1nccs1 6c772ec4cb48f87f2339fced246b105a [0,2,0,0,0,0|1,0,0]=3 7643 B12R1.255 CC(O)CCCNc1ncns1 46fc376cec20bcd696bd098110616b68 [0,2,0,0,0,0|2,0,0]=4 7644 B12R1.255 CC(O)CCCNc1nncs1 92839838cb37ba4cc5913b8453600716 [0,2,0,0,0,0|2,0,0]=4 7645 B12R1.255 CC(O)CCNCc1cc[nH]c1 8563fc226f6d32a203741af0e4776813 [0,2,0,0,0,0|2,0,0]=4 7646 B12R1.255 CC(O)CCNCc1ccc[nH]1 cccf2a36d7898942c4ce32879e94444b [0,2,0,0,0,0|1,0,0]=3 7647 B12R1.255 CC(O)CCNCc1ccco1 f078a483967a9b97b9fb068ba80aefc0 [0,2,0,0,0,0|0,1,0]=3 7648 B12R1.255 CC(O)CCNCc1cccs1 59234785d9391a05d5cc2105f6bbb91d [0,2,0,0,0,0|0,0,0]=2 7649 B12R1.255 CC(O)CCNCc1ccn[nH]1 070c471e080ac44ef95f897ec6991c04 [0,2,0,0,0,0|2,0,0]=4 7650 B12R1.255 CC(O)CCNCc1ccno1 2519b0e83afcac5fa1777fb6ffd6d2c2 [0,2,0,0,0,0|1,1,0]=4 7651 B12R1.255 CC(O)CCNCc1ccns1 fcc4d69781e441760cb0fe16997cfa0e [0,2,0,0,0,0|1,0,0]=3 7652 B12R1.255 CC(O)CCNCc1ccoc1 a9ca882cc997ca4301eacba999a4ebbd [0,2,0,0,0,0|2,0,0]=4 7653 B12R1.255 CC(O)CCNCc1ccon1 b7e90b0c7c708f53a7556c4ece38864c [0,2,0,0,0,0|2,0,0]=4 7654 B12R1.255 CC(O)CCNCc1ccsc1 eec20d5328277abe5f0ff07c3f9e0d97 [0,2,0,0,0,0|2,0,0]=4 7655 B12R1.255 CC(O)CCNCc1ccsn1 230269e03cbd22aa280aaab376ff9320 [0,2,0,0,0,0|2,0,0]=4 7656 B12R1.255 CC(O)CCNCc1cnc[nH]1 3f69d820cc27671057df81209b65faba [0,2,0,0,0,0|2,0,0]=4 7657 B12R1.255 CC(O)CCNCc1cnco1 cfa70f6dcbfdac594c1507cbefe09b00 [0,2,0,0,0,0|1,1,0]=4 7658 B12R1.255 CC(O)CCNCc1cncs1 317c1413736d57e69d97a00728acebc9 [0,2,0,0,0,0|1,0,0]=3 7659 B12R1.255 CC(O)CCNCc1cocn1 499827e7ded5e2b8cf70a7d9653d65f0 [0,2,0,0,0,0|2,0,0]=4 7660 B12R1.255 CC(O)CCNCc1cscn1 78e38af1b8802fd25753a04c071e625f [0,2,0,0,0,0|2,0,0]=4 7661 B12R1.255 CC(O)CCNCc1ncc[nH]1 f8d731682a034b6278f88ffca734b9c5 [0,2,0,0,0,0|2,0,0]=4 7662 B12R1.255 CC(O)CCNCc1ncco1 447c06266058c9a83dd75274c497ea70 [0,2,0,0,0,0|1,1,0]=4 7663 B12R1.255 CC(O)CCNCc1nccs1 222c7ff67f08fdd9e6e24bfd90c38596 [0,2,0,0,0,0|1,0,0]=3 7664 B12R1.255 CC(O)CNCCc1c[nH]cn1 07a7b1f4fe50e5103b1dfe2d653edae6 [0,2,0,0,0,0|2,0,0]=4 7665 B12R1.255 CC(O)CNCCc1cc[nH]n1 2fd7342f987f34e2eb6cf6ea2ddb36cd [0,2,0,0,0,0|2,0,0]=4 7666 B12R1.255 CC(O)CNCCc1ccc[nH]1 1d8d53e0cc39f9c0589970c355d6030e [0,2,0,0,0,0|1,0,0]=3 7667 B12R1.255 CC(O)CNCCc1ccco1 900232edabdb011c975c2b5582f667f3 [0,2,0,0,0,0|0,1,0]=3 7668 B12R1.255 CC(O)CNCCc1cccs1 dc98891d593a7ad52bee7cbe095ae626 [0,2,0,0,0,0|0,0,0]=2 7669 B12R1.255 CC(O)CNCCc1ccsc1 c656502dd8edca66730680981d913f90 [0,2,0,0,0,0|2,0,0]=4 7670 B12R1.255 CC(O)CNCCc1cscn1 9039ee22d1440b59ab81b3ae7473eb91 [0,2,0,0,0,0|2,0,0]=4 7671 B12R1.255 CC(O)CNCCc1ncc[nH]1 a2a1a7bac7db716c0209663916222e47 [0,2,0,0,0,0|2,0,0]=4 7672 B12R1.255 CC(O)CNCCc1nccs1 2a38f526874a7f3be3cf715892aae003 [0,2,0,0,0,0|1,0,0]=3 7673 B12R1.255 CC(O)CNCCc1nncs1 83d8be17f6002cd399b93427c1b6db82 [0,2,0,0,0,0|2,0,0]=4 7674 B12R1.255 CC(O)CNCCn1cccc1 10e1e58b80c70249e026e5cd0f29450b [0,2,0,0,0,0|2,0,0]=4 7675 B12R1.255 CC(O)CNCCn1cccn1 b96f599842ae502abed1fd693e3b734b [0,2,0,0,0,0|2,0,0]=4 7676 B12R1.255 CC(S)COCCc1c[nH]cn1 3c8ab5ce882f4e80b01e23babb03a945 [0,2,0,0,0,0|2,0,0]=4 7677 B12R1.255 CC(S)COCCc1cccs1 dbee81233a4497f452d7d59150676d92 [0,2,0,0,0,0|0,0,0]=2 7678 B12R1.255 CC(S)COCCc1ccsc1 2e112dda6c0fe82d444e5d6fefd07e3a [0,2,0,0,0,0|2,0,0]=4 7679 B12R1.255 CC(S)COCCc1cscn1 3050661df421d969e89ed061aae6e6bf [0,2,0,0,0,0|2,0,0]=4 7680 B12R1.255 CC(S)COCCn1cccc1 9f507849b79898c1ea403c5622cb97b4 [0,2,0,0,0,0|2,0,0]=4 7681 B12R1.255 CC(S)COCCn1cccn1 b115692ac0364f789b69c4164bf5d76f [0,2,0,0,0,0|2,0,0]=4 7682 B12R1.255 CN(C)CCCNc1ccco1 65e5f15698947ee654a8a7f10f9db317 [0,2,0,0,0,0|1,1,0]=4 7683 B12R1.255 CN(C)CCCNc1cccs1 56e5a9c4070ed2ed2b4b1a6199da3f10 [0,2,0,0,0,0|1,0,0]=3 7684 B12R1.255 CN(C)CCCNc1ccns1 a741c7972a763ea8c6d384b2512b9591 [0,2,0,0,0,0|2,0,0]=4 7685 B12R1.255 CN(C)CCCNc1cncs1 1e0d1f9b5a13f4cab37bf709d14ebe88 [0,2,0,0,0,0|2,0,0]=4 7686 B12R1.255 CN(C)CCCNc1nccs1 b87339c6255565907f05820bc9f543c4 [0,2,0,0,0,0|2,0,0]=4 7687 B12R1.255 CN(C)CCCOc1ccco1 5cb669878f58193b9f0fa9d606f104de [0,2,0,0,0,0|1,1,0]=4 7688 B12R1.255 CN(C)CCCOc1cccs1 41dab3dc5e13658c5da599948ae4cee0 [0,2,0,0,0,0|1,0,0]=3 7689 B12R1.255 CN(C)CCCOc1nccs1 a57eabb4e6bb14935d5b33aaaaff341e [0,2,0,0,0,0|2,0,0]=4 7690 B12R1.255 CN(C)CCNCc1ccc[nH]1 798766db5cf6f94dbc1e4d5b0c0bcc35 [0,2,0,0,0,0|2,0,0]=4 7691 B12R1.255 CN(C)CCNCc1ccco1 9a88986b7a51679841573d121ff53362 [0,2,0,0,0,0|1,1,0]=4 7692 B12R1.255 CN(C)CCNCc1cccs1 a3a620ea94beb9fe011f7650314012e1 [0,2,0,0,0,0|1,0,0]=3 7693 B12R1.255 CN(C)CCNCc1ccns1 a786be88c03cb12b17afe4a5c5efc046 [0,2,0,0,0,0|2,0,0]=4 7694 B12R1.255 CN(C)CCNCc1cncs1 2801b46109721828bee7282accc023f8 [0,2,0,0,0,0|2,0,0]=4 7695 B12R1.255 CN(C)CCNCc1nccs1 d57979a5555eafff94960443527d6908 [0,2,0,0,0,0|2,0,0]=4 7696 B12R1.255 CN(C)CCOCc1ccc[nH]1 a68b35f5875fdbf417042e5cc8ed9463 [0,2,0,0,0,0|2,0,0]=4 7697 B12R1.255 CN(C)CCOCc1ccco1 2d62c09a106b5486790d99dc5772f6c9 [0,2,0,0,0,0|1,1,0]=4 7698 B12R1.255 CN(C)CCOCc1cccs1 433300dec478ff3a365e958d284ad698 [0,2,0,0,0,0|1,0,0]=3 7699 B12R1.255 CN(C)CCOCc1ccns1 a2382fb216aa4b461b06ff6970d75a5f [0,2,0,0,0,0|2,0,0]=4 7700 B12R1.255 CN(C)CCOCc1cncs1 479a9f0ae27b8f7baef92d7c747b23db [0,2,0,0,0,0|2,0,0]=4 7701 B12R1.255 CN(C)CCOCc1nccs1 270824a1a3789dd223977f3ee4afcfde [0,2,0,0,0,0|2,0,0]=4 7702 B12R1.255 CN(C)CNCCc1ccc[nH]1 2505aedfcd15c32724e12565256ed7ef [0,2,0,0,0,0|2,0,0]=4 7703 B12R1.255 CN(C)CNCCc1ccco1 903562b8217b492d9985263192eefd25 [0,2,0,0,0,0|1,1,0]=4 7704 B12R1.255 CN(C)CNCCc1nccs1 4b1da4e9440e61f442311a8e44a3feff [0,2,0,0,0,0|2,0,0]=4 7705 B12R1.255 CN(C)COCCc1ccc[nH]1 bfadc5aff9f9fc4002749ae6816af2db [0,2,0,0,0,0|2,0,0]=4 7706 B12R1.255 CN(C)COCCc1ccco1 a3d956be79453f283b158700ba4ae055 [0,2,0,0,0,0|1,1,0]=4 7707 B12R1.255 CN(C)COCCc1cccs1 d45e1aaa8ef0676f81b4b9e7c8588a54 [0,2,0,0,0,0|1,0,0]=3 7708 B12R1.255 CN(C)COCCc1nccs1 d60ba7692e4a929b7671c6cda4353ef7 [0,2,0,0,0,0|2,0,0]=4 7709 B12R1.255 CS(=O)CCCNc1ccco1 19bfd1f328cc14e59da1d89ef4b3da42 [0,2,0,0,0,0|1,1,0]=4 7710 B12R1.255 CS(=O)CCCNc1cccs1 823f495e285441e93b6e7e200e134278 [0,2,0,0,0,0|1,0,0]=3 7711 B12R1.255 CS(=O)CCCNc1ccns1 274d03fde19fceb2d0fc07b49e8a2696 [0,2,0,0,0,0|2,0,0]=4 7712 B12R1.255 CS(=O)CCCNc1cncs1 935d5a2c265b9b578869fd7c7cddbd95 [0,2,0,0,0,0|2,0,0]=4 7713 B12R1.255 CS(=O)CCCNc1nccs1 2b4fd43f435813534fa0360634e3f7dd [0,2,0,0,0,0|2,0,0]=4 7714 B12R1.255 CS(=O)CCNCc1ccc[nH]1 049a4e94449c1bb04302b29862ac95ac [0,2,0,0,0,0|2,0,0]=4 7715 B12R1.255 CS(=O)CCNCc1ccco1 b737497c8697f0ad0e3ca42a3d2a992f [0,2,0,0,0,0|1,1,0]=4 7716 B12R1.255 CS(=O)CCNCc1cccs1 2d1f739a5dfbc510e910a66f0d23eede [0,2,0,0,0,0|1,0,0]=3 7717 B12R1.255 CS(=O)CCNCc1ccns1 b0a7efa9f0529163b01db555a4ccbda6 [0,2,0,0,0,0|2,0,0]=4 7718 B12R1.255 CS(=O)CCNCc1cncs1 428a46f034f0f3d44b1d10f686b7b63c [0,2,0,0,0,0|2,0,0]=4 7719 B12R1.255 CS(=O)CCNCc1nccs1 94743f635bed2165d21dd0c7cda74e67 [0,2,0,0,0,0|2,0,0]=4 7720 B12R1.255 CS(=O)CCOCc1ccc[nH]1 7f197ccf72f753a61f77cb321aee0068 [0,2,0,0,0,0|2,0,0]=4 7721 B12R1.255 CS(=O)CCOCc1ccco1 02ab9022b0992dd6022fc561b068d5bb [0,2,0,0,0,0|1,1,0]=4 7722 B12R1.255 CS(=O)CCOCc1cccs1 25141d7074221dbdcf8369d8cbea0095 [0,2,0,0,0,0|1,0,0]=3 7723 B12R1.255 CS(=O)CCOCc1ccns1 379b701ed06cff2e2a888e4f79147ec7 [0,2,0,0,0,0|2,0,0]=4 7724 B12R1.255 CS(=O)CCOCc1cncs1 35eeb744c426142fbdfb1c48419d7495 [0,2,0,0,0,0|2,0,0]=4 7725 B12R1.255 CS(=O)CCOCc1nccs1 0db2d0fc441dfe9d8e936ab2904dd4da [0,2,0,0,0,0|2,0,0]=4 7726 B12R1.255 C[C@@H](F)COCCc1c[nH]cn1 5d3c58c7c1c47c210b8fcd478109a990 [0,2,0,0,0,0|2,0,0]=4 7727 B12R1.255 C[C@@H](F)COCCc1cccs1 cc71ac7a816d4ba52ccb185e3b2b3c3e [0,2,0,0,0,0|0,0,0]=2 7728 B12R1.255 C[C@@H](F)COCCc1ccsc1 b979711a5abd00aa3caac5e676987a39 [0,2,0,0,0,0|2,0,0]=4 7729 B12R1.255 C[C@@H](F)COCCc1cscn1 0745fc234ee07b87d15b51703e80e201 [0,2,0,0,0,0|2,0,0]=4 7730 B12R1.255 C[C@@H](F)COCCn1cccc1 09008044c72b3aa9d1579218a86a4931 [0,2,0,0,0,0|2,0,0]=4 7731 B12R1.255 C[C@@H](F)COCCn1cccn1 94bbf63402fca1142e37fe0a15799d98 [0,2,0,0,0,0|2,0,0]=4 7732 B12R1.255 C[C@@H](O)CCNCc1ccco1 f09f5d6f4d79847e5eb1d2de4c1a98f5 [0,2,0,0,0,0|0,1,0]=3 7733 B12R1.255 C[C@@H](O)CCNCc1cccs1 748b5709c1f2c9b18bc9ba3acc8da7b9 [0,2,0,0,0,0|0,0,0]=2 7734 B12R1.255 C[C@@H](O)CCNCc1ccno1 8500ef6f1a60e6ab430fd8d3c8fae360 [0,2,0,0,0,0|1,1,0]=4 7735 B12R1.255 C[C@@H](O)CCNCc1ccon1 c9fc90f66dfe8b71c8b2d20d4b1c392e [0,2,0,0,0,0|2,0,0]=4 7736 B12R1.255 C[C@@H](O)CCNCc1ccsc1 e3901703fe1c9670696a65e430cc84aa [0,2,0,0,0,0|2,0,0]=4 7737 B12R1.255 C[C@@H](O)CCNCc1cnc[nH]1 709e9a81458da7baa25ce60fbac562e3 [0,2,0,0,0,0|2,0,0]=4 7738 B12R1.255 C[C@@H](O)CCNCc1cocn1 7c7fb79943a96cdcf787a0cec1d8ca8a [0,2,0,0,0,0|2,0,0]=4 7739 B12R1.255 C[C@@H](O)CCNCc1cscn1 f406216764fe7b13107edfa00ebb935a [0,2,0,0,0,0|2,0,0]=4 7740 B12R1.255 C[C@@H](O)CCNCc1ncc[nH]1 d59f210700ce72ce0c04b37a61e099e6 [0,2,0,0,0,0|2,0,0]=4 7741 B12R1.255 C[C@@H](O)CCNCc1ncco1 77a9677e52445b24cea3f683f00ca17e [0,2,0,0,0,0|1,1,0]=4 7742 B12R1.255 C[C@@H](O)CCNCc1nccs1 ef6c81886b323c660de1479092ad1f05 [0,2,0,0,0,0|1,0,0]=3 7743 B12R1.255 C[C@@H](O)CNCCc1c[nH]cn1 4a77e264b40a3987c1bd1da815d4f99c [0,2,0,0,0,0|2,0,0]=4 7744 B12R1.255 C[C@@H](O)CNCCc1cc[nH]n1 152422e6262aac6ec4781aa86e2de4f3 [0,2,0,0,0,0|2,0,0]=4 7745 B12R1.255 C[C@@H](O)CNCCc1ccc[nH]1 0cc03d37e25121c2df6252a2e2c4a3ca [0,2,0,0,0,0|1,0,0]=3 7746 B12R1.255 C[C@@H](O)CNCCc1cccs1 171ef99f4f94f935933be1cc3855b793 [0,2,0,0,0,0|0,0,0]=2 7747 B12R1.255 C[C@@H](O)CNCCc1ccsc1 f9dbe430626a6b5e4ec6569e538fe400 [0,2,0,0,0,0|2,0,0]=4 7748 B12R1.255 C[C@@H](O)CNCCc1cscn1 cc9ca1e7b154c7284944aa3dd0ea878f [0,2,0,0,0,0|2,0,0]=4 7749 B12R1.255 C[C@@H](O)CNCCc1ncc[nH]1 31bbe0ef5c5ed9f277e035f2ea4df93d [0,2,0,0,0,0|2,0,0]=4 7750 B12R1.255 C[C@@H](O)CNCCc1nccs1 a4e844c48e732c2c583b7c0879bfc224 [0,2,0,0,0,0|1,0,0]=3 7751 B12R1.255 C[C@@H](O)CNCCn1cccc1 7437c945aafcaff355994ebddc27a6ab [0,2,0,0,0,0|2,0,0]=4 7752 B12R1.255 C[C@@H](O)CNCCn1cccn1 f1e9cd2faf534f0a6d793328f6c5ccb6 [0,2,0,0,0,0|2,0,0]=4 7753 B12R1.255 C[C@H](F)COCCc1c[nH]cn1 b3d0c92d4f1d4a9e9822e7ac914a5457 [0,2,0,0,0,0|2,0,0]=4 7754 B12R1.255 C[C@H](F)COCCc1cccs1 c642f088d0af78387f12838bd3089583 [0,2,0,0,0,0|0,0,0]=2 7755 B12R1.255 C[C@H](F)COCCc1ccsc1 20417a1755f985e0dbd8ebfddb3d4a58 [0,2,0,0,0,0|2,0,0]=4 7756 B12R1.255 C[C@H](F)COCCc1cscn1 c8be8e1fbd11c718bbc0cbf543fc871e [0,2,0,0,0,0|2,0,0]=4 7757 B12R1.255 C[C@H](F)COCCn1cccc1 97e774ebb5d5c21f52f618f0437c7a1f [0,2,0,0,0,0|2,0,0]=4 7758 B12R1.255 C[C@H](F)COCCn1cccn1 bc1f7f9d0596c8c1629f4b39a4f773e0 [0,2,0,0,0,0|2,0,0]=4 7759 B12R1.255 C[C@H](O)CCNCc1ccco1 42485d3b3b115c36add5a67af8a48960 [0,2,0,0,0,0|0,1,0]=3 7760 B12R1.255 C[C@H](O)CCNCc1cccs1 6cf069210fa5ecf2bb0818417dd2dfea [0,2,0,0,0,0|0,0,0]=2 7761 B12R1.255 C[C@H](O)CCNCc1ccno1 5ecf20f491d249965b00d55d9a057cb2 [0,2,0,0,0,0|1,1,0]=4 7762 B12R1.255 C[C@H](O)CCNCc1ccon1 73dd4d2a11ca657cf43bf5d860b0cf37 [0,2,0,0,0,0|2,0,0]=4 7763 B12R1.255 C[C@H](O)CCNCc1ccsc1 3d740dcfd71dfd4c4d38a123b6a7b1ed [0,2,0,0,0,0|2,0,0]=4 7764 B12R1.255 C[C@H](O)CCNCc1cnc[nH]1 d01b6e371a3c893dfb47d829b6cfb9ac [0,2,0,0,0,0|2,0,0]=4 7765 B12R1.255 C[C@H](O)CCNCc1cocn1 ad466ce4a699c8ce90cfe3560c5bd60a [0,2,0,0,0,0|2,0,0]=4 7766 B12R1.255 C[C@H](O)CCNCc1cscn1 3cf9db3e654b5463993dc1afab54005c [0,2,0,0,0,0|2,0,0]=4 7767 B12R1.255 C[C@H](O)CCNCc1ncc[nH]1 2735bcb3bf16d3cd8093da623d1f2342 [0,2,0,0,0,0|2,0,0]=4 7768 B12R1.255 C[C@H](O)CCNCc1ncco1 5ce5d7e8dc3a7d10ffb44f330c8b46b2 [0,2,0,0,0,0|1,1,0]=4 7769 B12R1.255 C[C@H](O)CCNCc1nccs1 7bd2c9e8e081e2d28dec7520f1f6e31a [0,2,0,0,0,0|1,0,0]=3 7770 B12R1.255 C[C@H](O)CNCCc1c[nH]cn1 e82d7e86db7b0dbaab0ea0236fdcd8e9 [0,2,0,0,0,0|2,0,0]=4 7771 B12R1.255 C[C@H](O)CNCCc1cc[nH]n1 3a749d23c5232ac81a3e7de5f6ec8686 [0,2,0,0,0,0|2,0,0]=4 7772 B12R1.255 C[C@H](O)CNCCc1ccc[nH]1 a2d5726bed331b81e0ff975de60bf89c [0,2,0,0,0,0|1,0,0]=3 7773 B12R1.255 C[C@H](O)CNCCc1ccco1 8659634d03081339b7afb6b10823e67a [0,2,0,0,0,0|0,1,0]=3 7774 B12R1.255 C[C@H](O)CNCCc1cccs1 8dc494e1c1ffbf06b0cb6c8c99ec6192 [0,2,0,0,0,0|0,0,0]=2 7775 B12R1.255 C[C@H](O)CNCCc1ccsc1 6dc076960ee7243eea58c2d5c2ebf7fa [0,2,0,0,0,0|2,0,0]=4 7776 B12R1.255 C[C@H](O)CNCCc1cscn1 e94e57a30e611b8b55a41c7f6c01576e [0,2,0,0,0,0|2,0,0]=4 7777 B12R1.255 C[C@H](O)CNCCc1ncc[nH]1 a643cd18a9939ac33e1301a0a73e909d [0,2,0,0,0,0|2,0,0]=4 7778 B12R1.255 C[C@H](O)CNCCc1nccs1 350a08153c0e198cda0d4e05cb803b81 [0,2,0,0,0,0|1,0,0]=3 7779 B12R1.255 C[C@H](O)CNCCc1nncs1 982db18e83d306bfd3db0b223d763ed2 [0,2,0,0,0,0|2,0,0]=4 7780 B12R1.255 C[C@H](O)CNCCn1cccc1 39f3ee3243b38a30fb748b201cc7e410 [0,2,0,0,0,0|2,0,0]=4 7781 B12R1.255 C[C@H](O)CNCCn1cccn1 bc5703208fb2830b8cbc246a28764c0a [0,2,0,0,0,0|2,0,0]=4 7782 B12R1.255 FC(F)CCNCc1ccco1 7e1546e74314b3b7e17468328e03d1bb [0,2,0,0,0,0|1,1,0]=4 7783 B12R1.255 FC(F)CCNCc1cccs1 ac42f276915aba327bd1d8619767859f [0,2,0,0,0,0|1,0,0]=3 7784 B12R1.255 FC(F)CCNCc1nccs1 a18c776a0cc40c697e6440bb5cb97ecc [0,2,0,0,0,0|2,0,0]=4 7785 B12R1.255 FC(F)CCOCc1ccco1 32cf7a61d19b1f259132c9aba186865c [0,2,0,0,0,0|1,1,0]=4 7786 B12R1.255 FC(F)CCOCc1cccs1 999881605de2b1eec17a52c8ec8fcecb [0,2,0,0,0,0|1,0,0]=3 7787 B12R1.255 FC(F)CCOCc1nccs1 a41e93c3b9edfb0f12f7f5200054b538 [0,2,0,0,0,0|2,0,0]=4 7788 B12R1.255 FC(F)CNCCc1ccc[nH]1 4b6498ed1481231175e5458e6054e43e [0,2,0,0,0,0|2,0,0]=4 7789 B12R1.255 FC(F)CNCCc1ccco1 3464c0cb3a8fd3099495bb7fb27e628a [0,2,0,0,0,0|1,1,0]=4 7790 B12R1.255 FC(F)CNCCc1cccs1 1475f8584fe2f06497994a3b5d35f120 [0,2,0,0,0,0|1,0,0]=3 7791 B12R1.255 FC(F)CNCCc1nccs1 2fe40e5b5d6fef26653577d4202c3182 [0,2,0,0,0,0|2,0,0]=4 7792 B12R1.255 FC(F)COCCc1ccc[nH]1 cc6c468cc7237c1e1992d10a8e43d4c5 [0,2,0,0,0,0|2,0,0]=4 7793 B12R1.255 FC(F)COCCc1ccco1 1e86d1774f2165092feec498b538f628 [0,2,0,0,0,0|1,1,0]=4 7794 B12R1.255 FC(F)COCCc1cccs1 9628bebb3666298795e2e09406a87a9a [0,2,0,0,0,0|1,0,0]=3 7795 B12R1.255 FC(F)COCCc1nccs1 947c25990404d9dcc63bf8a9dac24e4d [0,2,0,0,0,0|2,0,0]=4 7796 B12R1.255 FC(F)OCCNc1cccs1 67f472b5a866014732be0efeb602e4b3 [0,2,0,0,0,0|2,0,0]=4 7797 B12R1.255 FC(F)OCCOc1cccs1 0d05838a85fa9ed2629a95fa8dd8adf3 [0,2,0,0,0,0|2,0,0]=4 7798 B12R1.255 NC(=O)CCCNc1cccs1 912d8816b57a89ea368f13e47f8a9eb4 [0,2,0,0,0,0|1,0,1]=4 7799 B12R1.255 NC(=O)CCNCc1cccs1 d2a105d640dd8e81294e2d0576ff61bd [0,2,0,0,0,0|1,0,1]=4 7800 B12R1.255 NC(=O)CCOCc1cccs1 df428fd0a6de2e62e723f39cf2774749 [0,2,0,0,0,0|1,0,1]=4 7801 B12R1.255 NC(=O)CNCCc1cccs1 a95d34c2de8a12e928b1316f7378cc9c [0,2,0,0,0,0|1,0,1]=4 7802 B12R1.255 NC(=O)COCCc1cccs1 41ff161c28076d54bb5385a194411e23 [0,2,0,0,0,0|1,0,1]=4 7803 B12R1.255 NC(=S)CCNCc1cccs1 4d1a3a7ff53b875d4e1f744e7fbe77bd [0,2,0,0,0,0|1,0,1]=4 7804 B12R1.255 NC(=S)COCCc1cccs1 1713d450404cc53f53c77e7986f3f1db [0,2,0,0,0,0|1,0,1]=4 7805 B12R1.255 O=C(O)CCCNc1cccs1 0e9974ef758324c833804cf4b51923bd [0,2,0,0,0,0|1,0,1]=4 7806 B12R1.255 O=C(O)CCNCc1cccs1 5fc1b31ed0a3fc8a24d9c8cfda0ec29d [0,2,0,0,0,0|1,0,1]=4 7807 B12R1.255 O=C(O)CCOCc1cccs1 25b0fe034d6513a12e96e7c8c2786577 [0,2,0,0,0,0|1,0,1]=4 7808 B12R1.255 O=C(O)CNCCc1cccs1 8bca4fb35803e79ed6d7dc4a447762dd [0,2,0,0,0,0|1,0,1]=4 7809 B12R1.255 O=C(O)COCCc1cccs1 b27ce86f71ac660c5a477d011ca45db0 [0,2,0,0,0,0|1,0,1]=4 7810 B12R1.255 O=S(O)CCNCc1cccs1 cf620a6ab115854964dcdfbf3a97806e [0,2,0,0,0,0|2,0,0]=4 7811 B12R1.255 O=S(O)COCCc1cccs1 7f7892698ff54be917a9edd73ae85bdb [0,2,0,0,0,0|2,0,0]=4 7812 B12R1.255 O=[N+]([O-])CCCOc1cccs1 0b9b5424013320fbbd4921c4a97ad050 [0,2,0,0,0,0|2,0,0]=4 7813 B12R1.255 O=[N+]([O-])CCOCc1cccs1 4a692d556d355efe7338d1b7d60495f2 [0,2,0,0,0,0|2,0,0]=4 7814 B12R1.255 O=[N+]([O-])CNCCc1cccs1 3914cf15f3c054c9bdd384603397c61c [0,2,0,0,0,0|2,0,0]=4 7815 B12R1.255 O=[N+]([O-])COCCc1cccs1 6fd6e8c4b03e24deb88b1e99421ff0f4 [0,2,0,0,0,0|2,0,0]=4 7816 B12R1.372 C#CCCNCc1sccc1Br 67c0a482e8ec8be0483255fa0706a820 [0,2,0,0,0,0|0,0,2]=4 7817 B12R1.372 C#CCCNCc1sccc1Cl 38c4a38ea4f0d165060b7dd89e99d4f3 [0,2,0,0,0,0|0,0,2]=4 7818 B12R1.372 C#CCCNCc1sccc1F 8468bb733acb24b72292cf44dea45d9c [0,2,0,0,0,0|0,0,2]=4 7819 B12R1.372 C#CCCOCc1sccc1Br e82a2277c4ca79fc564d834c8e5908a8 [0,2,0,0,0,0|0,0,2]=4 7820 B12R1.372 C#CCCOCc1sccc1C e6c3cb3839e41babc2ab40348f6454fb [0,2,0,0,0,0|0,0,2]=4 7821 B12R1.372 C#CCCOCc1sccc1Cl 8b3605343598d1df6b651c76072c8d08 [0,2,0,0,0,0|0,0,2]=4 7822 B12R1.372 C#CCCOCc1sccc1F 2b88910ee2d778dc8740143265e2697c [0,2,0,0,0,0|0,0,2]=4 7823 B12R1.372 C#CCNCCc1sccc1C 84b569fdfff08fc51edcd4a79839c0c9 [0,2,0,0,0,0|0,0,2]=4 7824 B12R1.372 C/C=C/CNCc1sccc1Br d517dc38e9b75a16dccc6b9baffa3a19 [0,2,0,0,0,0|0,0,2]=4 7825 B12R1.372 C/C=C/CNCc1sccc1Cl d04f17a421250005af97b60649f4dbbd [0,2,0,0,0,0|0,0,2]=4 7826 B12R1.372 C/C=C/CNCc1sccc1F c609bb89b59e6b1f1bccd490dd56be91 [0,2,0,0,0,0|0,0,2]=4 7827 B12R1.372 C/C=C/COCc1sccc1Br 6f8013a85f22b66b92c567a54229352d [0,2,0,0,0,0|0,0,2]=4 7828 B12R1.372 C/C=C/COCc1sccc1C 082f0b105597b49059d22827d2f9d108 [0,2,0,0,0,0|0,0,2]=4 7829 B12R1.372 C/C=C/COCc1sccc1Cl ec0a63a21c2079d715e42454bca845eb [0,2,0,0,0,0|0,0,2]=4 7830 B12R1.372 C/C=C/COCc1sccc1F 0986d92c770b5ceafdf649d7f4360c1a [0,2,0,0,0,0|0,0,2]=4 7831 B12R1.372 C/C=C\CNCc1sccc1Br f9671d8add8c48e80e8f80c4f5035a09 [0,2,0,0,0,0|0,0,2]=4 7832 B12R1.372 C/C=C\CNCc1sccc1Cl 9da69793a4410b13badd1d160f5999cc [0,2,0,0,0,0|0,0,2]=4 7833 B12R1.372 C/C=C\CNCc1sccc1F 328000644e3c68986d8cef7fd83ff365 [0,2,0,0,0,0|0,0,2]=4 7834 B12R1.372 C/C=C\COCc1sccc1Br f83b26f41076f408086bea89eb169e6d [0,2,0,0,0,0|0,0,2]=4 7835 B12R1.372 C/C=C\COCc1sccc1C bbbe66cd11345cb9ce271aa240ba2314 [0,2,0,0,0,0|0,0,2]=4 7836 B12R1.372 C/C=C\COCc1sccc1Cl 5cce0964af0533ced27c3837b89f8a9a [0,2,0,0,0,0|0,0,2]=4 7837 B12R1.372 C/C=C\COCc1sccc1F 620afdac6d40dcbd663573e03c7b1189 [0,2,0,0,0,0|0,0,2]=4 7838 B12R1.372 C=CCCCNc1sccc1C b9385b8d40f78a5e1683bb0cf83a9614 [0,2,0,0,0,0|0,0,2]=4 7839 B12R1.372 C=CCCNCc1sccc1Br 0f0b473bc4d46522ed0831ab5322b33d [0,2,0,0,0,0|0,0,2]=4 7840 B12R1.372 C=CCCNCc1sccc1Cl 991a1e7295a5f39b5604e1eb48fa480a [0,2,0,0,0,0|0,0,2]=4 7841 B12R1.372 C=CCCNCc1sccc1F dd3a7a6035e5e1a4dbece27be99c58ce [0,2,0,0,0,0|0,0,2]=4 7842 B12R1.372 C=CCCOCc1sccc1Br 0d06d538487427698895c6a412d194b7 [0,2,0,0,0,0|0,0,2]=4 7843 B12R1.372 C=CCCOCc1sccc1C f34c7313f17c3c80f1230aacf9509091 [0,2,0,0,0,0|0,0,2]=4 7844 B12R1.372 C=CCCOCc1sccc1Cl df9641ee4e393eea58dc3ad3c109c49b [0,2,0,0,0,0|0,0,2]=4 7845 B12R1.372 C=CCCOCc1sccc1F b63b3369106792c3c929bef9db95ebd0 [0,2,0,0,0,0|0,0,2]=4 7846 B12R1.372 C=CCNCCc1sccc1C 8dddc61704bde43bce79b09f7a9f0b6f [0,2,0,0,0,0|0,0,2]=4 7847 B12R1.372 C=CCOCCc1sccc1Br 95360af9809435fa16871748817d8abb [0,2,0,0,0,0|0,0,2]=4 7848 B12R1.372 CCCCCNc1[nH]ncc1F b8287e371c338e37149f025edf9c509b [0,2,0,0,0,0|2,0,0]=4 7849 B12R1.372 CCCCCNc1cccn1C fa6ba3dc89046e2bb975f0c7b0942de8 [0,2,0,0,0,0|1,0,0]=3 7850 B12R1.372 CCCCCNc1ccnn1C d6f9673395fcea6643afadcafa5dfe33 [0,2,0,0,0,0|2,0,0]=4 7851 B12R1.372 CCCCCNc1ccsc1C 4ef7c6d61cb81ed140c71a5d21189f75 [0,2,0,0,0,0|2,0,0]=4 7852 B12R1.372 CCCCCNc1cncn1C 1ef3f8a6dd832dd14e8a7d456b94bfc9 [0,2,0,0,0,0|2,0,0]=4 7853 B12R1.372 CCCCCNc1cscc1C b36a2002d151044ac0ee3ddd8ff8eccc [0,2,0,0,0,0|2,0,0]=4 7854 B12R1.372 CCCCCNc1n[nH]cc1Br 3dc604d7fb6730e320a349e45e0752c7 [0,2,0,0,0,0|2,0,0]=4 7855 B12R1.372 CCCCCNc1n[nH]cc1C 07eff10a477d371ebbe72e2027a50f66 [0,2,0,0,0,0|2,0,0]=4 7856 B12R1.372 CCCCCNc1n[nH]cc1Cl 5df478d38fa92f3de601e86ebca9f36c [0,2,0,0,0,0|2,0,0]=4 7857 B12R1.372 CCCCCNc1n[nH]cc1I dcb55daf20be6f99a2a54f8158ed1b81 [0,2,0,0,0,0|2,0,0]=4 7858 B12R1.372 CCCCCNc1n[nH]cc1N 2976681318543a7015c2f16c53eea6c0 [0,2,0,0,0,0|2,0,0]=4 7859 B12R1.372 CCCCCNc1nc[nH]c1C 6f606bc0003511e16e123362b726b9c2 [0,2,0,0,0,0|2,0,0]=4 7860 B12R1.372 CCCCCNc1nccn1C adfa6704277399e6eb8fba46528ae28a [0,2,0,0,0,0|2,0,0]=4 7861 B12R1.372 CCCCCNc1nocc1C 6b7d319d22d01b5f283b411f2e47a854 [0,2,0,0,0,0|2,0,0]=4 7862 B12R1.372 CCCCCNc1nocc1Cl 8cd80b806f5b18ee7cf22265d6bfc8ff [0,2,0,0,0,0|2,0,0]=4 7863 B12R1.372 CCCCCNc1oncc1C 62144299082f683bfd4b6a26bd24a4ab [0,2,0,0,0,0|1,1,0]=4 7864 B12R1.372 CCCCCNc1sccc1C f7a6a7e0048b01a8b567fd08c19a2c30 [0,2,0,0,0,0|0,0,0]=2 7865 B12R1.372 CCCCCNc1scnc1C 26ec849661f7b9ff5a80ac1b43618d5b [0,2,0,0,0,0|1,0,0]=3 7866 B12R1.372 CCCCCOc1cccn1C 9b50b6516b4125c7b5ce8c981bc7ca14 [0,2,0,0,0,0|1,0,0]=3 7867 B12R1.372 CCCCCOc1ccnn1C f249447729a5d00ceb232cf8487777e6 [0,2,0,0,0,0|2,0,0]=4 7868 B12R1.372 CCCCCOc1n[nH]cc1C 9cbc9c74b1196cd19f46657d526f876b [0,2,0,0,0,0|2,0,0]=4 7869 B12R1.372 CCCCCOc1nocc1Br fd7b1a31cb58ebb4241988fb3a8926d6 [0,2,0,0,0,0|2,0,0]=4 7870 B12R1.372 CCCCNCc1cccn1C 3ee985f14e03ef5085094e7129b98c7a [0,2,0,0,0,0|1,0,0]=3 7871 B12R1.372 CCCCNCc1ccnn1C 271dc129cec6b63bb1543e39e2174a66 [0,2,0,0,0,0|2,0,0]=4 7872 B12R1.372 CCCCNCc1ccoc1C 0aaca2b7d591bc7ed7f1879f1eeaab8c [0,2,0,0,0,0|2,0,0]=4 7873 B12R1.372 CCCCNCc1ccsc1Br dbce604f062e67221c0390a3d7028602 [0,2,0,0,0,0|2,0,0]=4 7874 B12R1.372 CCCCNCc1ccsc1Cl 1d8061e692861f8f180dcb7b965d40c3 [0,2,0,0,0,0|2,0,0]=4 7875 B12R1.372 CCCCNCc1cscc1Br 6ba4487a683acaaf5ea1dcfc7088bb31 [0,2,0,0,0,0|2,0,0]=4 7876 B12R1.372 CCCCNCc1nc[nH]c1C 67b58cbe517b014cf15e4538cf873868 [0,2,0,0,0,0|2,0,0]=4 7877 B12R1.372 CCCCNCc1nccn1C a85018a7c22e83c2ec3e10b54d8b3a6a [0,2,0,0,0,0|2,0,0]=4 7878 B12R1.372 CCCCNCc1ncoc1C f9da1b5ac3d7ab989cc60c088864aa33 [0,2,0,0,0,0|2,0,0]=4 7879 B12R1.372 CCCCNCc1nocc1Br c5633448c9af9490dc8ce22d25d611a4 [0,2,0,0,0,0|2,0,0]=4 7880 B12R1.372 CCCCNCc1nocc1C f330b0ab4d00cb7e6a312efffb6df9aa [0,2,0,0,0,0|2,0,0]=4 7881 B12R1.372 CCCCNCc1occc1C 747f21cebab29afb046bc7a06d1f41cd [0,2,0,0,0,0|0,1,0]=3 7882 B12R1.372 CCCCNCc1sccc1Cl 75cd31ee8176c702db21cf078bf8a85d [0,2,0,0,0,0|0,0,0]=2 7883 B12R1.372 CCCCNCc1sccc1F 455e9279fe558e7d74d19a58a7a97f02 [0,2,0,0,0,0|0,0,0]=2 7884 B12R1.372 CCCCNCc1scnc1Br c0179ef0cab7a08259293b1ce31f5e96 [0,2,0,0,0,0|1,0,0]=3 7885 B12R1.372 CCCCNCc1scnc1C 403c42152c0ae7c174a8b64a9aa887a4 [0,2,0,0,0,0|1,0,0]=3 7886 B12R1.372 CCCCNCc1scnc1Cl 7314023714d32a6b815ef6ac8bf8b349 [0,2,0,0,0,0|1,0,0]=3 7887 B12R1.372 CCCCNCc1snnc1C 7a5e4205ba4d6724662f47828a2d5b61 [0,2,0,0,0,0|2,0,0]=4 7888 B12R1.372 CCCCOCc1[nH]ncc1Br 16cca4f4092e3b45df639522a3a9ab07 [0,2,0,0,0,0|2,0,0]=4 7889 B12R1.372 CCCCOCc1cccn1C 94650476b22561e4a7e6212ffa8a2bc0 [0,2,0,0,0,0|1,0,0]=3 7890 B12R1.372 CCCCOCc1ccnn1C 97d939736707e32acdd13f5f87d0ea88 [0,2,0,0,0,0|2,0,0]=4 7891 B12R1.372 CCCCOCc1ccoc1C f10d80c1044dcc88e0cde7e9a16d8dad [0,2,0,0,0,0|2,0,0]=4 7892 B12R1.372 CCCCOCc1ccsc1Br 745a699141127c052c5b38bc19f7f317 [0,2,0,0,0,0|2,0,0]=4 7893 B12R1.372 CCCCOCc1ccsc1Cl 79456f7d6c839634bab1c5bff4471a06 [0,2,0,0,0,0|2,0,0]=4 7894 B12R1.372 CCCCOCc1cncn1C 77f9b64a8636f64c86da6395b281737b [0,2,0,0,0,0|2,0,0]=4 7895 B12R1.372 CCCCOCc1cscc1Br b3812f02ab3e0aaac9c28f0c6ae6a159 [0,2,0,0,0,0|2,0,0]=4 7896 B12R1.372 CCCCOCc1cscc1C f35d8351a82f3f09bda365c1f138fd62 [0,2,0,0,0,0|2,0,0]=4 7897 B12R1.372 CCCCOCc1n[nH]cc1C 6cc839f6a07a0df6de7383e1f30ebdbd [0,2,0,0,0,0|2,0,0]=4 7898 B12R1.372 CCCCOCc1nc[nH]c1C 1e8686e929efde2ccb2ff10061578745 [0,2,0,0,0,0|2,0,0]=4 7899 B12R1.372 CCCCOCc1nccn1C 018396f990df6e1d584cd293e3b776a5 [0,2,0,0,0,0|2,0,0]=4 7900 B12R1.372 CCCCOCc1ncoc1C 5589bb8ee9941dcb58c0ed972e8b6afe [0,2,0,0,0,0|2,0,0]=4 7901 B12R1.372 CCCCOCc1ncsc1C 9d54c81401b7b00a5787bf380feeaef5 [0,2,0,0,0,0|2,0,0]=4 7902 B12R1.372 CCCCOCc1nocc1Br ab2c3ecbcbe1e31021c41d8e487094f1 [0,2,0,0,0,0|2,0,0]=4 7903 B12R1.372 CCCCOCc1nocc1C f8a14a355179d8c4697bf0a44304037a [0,2,0,0,0,0|2,0,0]=4 7904 B12R1.372 CCCCOCc1occc1Br 240b10a82794549ec37ef0a2b9bef995 [0,2,0,0,0,0|0,1,0]=3 7905 B12R1.372 CCCCOCc1occc1C e81295ca52c2bf7ff595d92827ec2cce [0,2,0,0,0,0|0,1,0]=3 7906 B12R1.372 CCCCOCc1ocnc1C ce98f48230ca2cd6f50db99bc930ad4e [0,2,0,0,0,0|1,1,0]=4 7907 B12R1.372 CCCCOCc1oncc1C a103be0b40c1b0c44af2741be2677ebc [0,2,0,0,0,0|1,1,0]=4 7908 B12R1.372 CCCCOCc1sccc1C acf1af4e5fd831736774927b34513386 [0,2,0,0,0,0|0,0,0]=2 7909 B12R1.372 CCCCOCc1sccc1Cl a641c596320c97fc31b9f829d7e4a7d0 [0,2,0,0,0,0|0,0,0]=2 7910 B12R1.372 CCCCOCc1sccc1F f29ea0091530e8d170d2d6df697f0fd4 [0,2,0,0,0,0|0,0,0]=2 7911 B12R1.372 CCCCOCc1scnc1Br 3548ad43ee6601631c4bf253cbefc0e8 [0,2,0,0,0,0|1,0,0]=3 7912 B12R1.372 CCCCOCc1scnc1C d2b31e8034fc9c86b3aefa30f96d13f8 [0,2,0,0,0,0|1,0,0]=3 7913 B12R1.372 CCCCOCc1scnc1Cl 9e66e3b34f1d4db7cf1b03d1e28a912b [0,2,0,0,0,0|1,0,0]=3 7914 B12R1.372 CCCCOCc1sncc1Br 76b0e4039cfedcba32f3dc07fde8a0cf [0,2,0,0,0,0|1,0,0]=3 7915 B12R1.372 CCCCOCc1snnc1C ec95c1fcbd1be89d11155388b5e40c91 [0,2,0,0,0,0|2,0,0]=4 7916 B12R1.372 CCCNCCc1cccn1C a20b0f41baf2736a90c32f73b6ca7b1b [0,2,0,0,0,0|1,0,0]=3 7917 B12R1.372 CCCNCCc1ccnn1C 8e247207b2018b1581ecf0c4639b8e09 [0,2,0,0,0,0|2,0,0]=4 7918 B12R1.372 CCCNCCc1nccn1C 3ca4cc6a6f1ee511c78c2a929a177373 [0,2,0,0,0,0|2,0,0]=4 7919 B12R1.372 CCCNCCc1sccc1C 47fa6a911c40a4725c6255a61d494fe5 [0,2,0,0,0,0|0,0,0]=2 7920 B12R1.372 CCCNCCc1scnc1C 563fac011f34e5c35d7727ec28b2c8e7 [0,2,0,0,0,0|1,0,0]=3 7921 B12R1.372 CCCNCCn1nccc1C 8d398a5389532a2620735360b47bef1d [0,2,0,0,0,0|2,0,0]=4 7922 B12R1.372 CCCOCCc1cccn1C 0e23dcefc59cfb0494cfa22b79032441 [0,2,0,0,0,0|1,0,0]=3 7923 B12R1.372 CCCOCCc1cncn1C 77521dbb18bc4d50b37373d787fba6c5 [0,2,0,0,0,0|2,0,0]=4 7924 B12R1.372 CCCOCCc1nccn1C 760662e39bf9e454fef54ebaec5e7a21 [0,2,0,0,0,0|2,0,0]=4 7925 B12R1.372 CCCOCCc1ncsc1C 4d914be003adad03cf87e22ca39706c4 [0,2,0,0,0,0|2,0,0]=4 7926 B12R1.372 CCCOCCc1scnc1C 542c230bb4eff03818994ec3a553937e [0,2,0,0,0,0|1,0,0]=3 7927 B12R1.372 CCCOCCn1nccc1C 1da3be4bc2c096e5677af32de2375f75 [0,2,0,0,0,0|2,0,0]=4 7928 B12R1.372 CCNCCCc1nccn1C 6c311a5401512ec1632b51a712554307 [0,2,0,0,0,0|2,0,0]=4 7929 B12R1.372 CCNCCCc1scnc1C 936d6cc2e2f6bff94bfd610359569181 [0,2,0,0,0,0|1,0,0]=3 7930 B12R1.372 CCNCCCn1nccc1C ce1ea2aaa552a751d33b3a3aa115eb81 [0,2,0,0,0,0|2,0,0]=4 7931 B12R1.372 CCOCCCc1scnc1C 1ffbfc78364f67f672564e1e5019a187 [0,2,0,0,0,0|1,0,0]=3 7932 B12R1.372 CCOCCNc1cccn1C 36367a6dbba87f28f724d540dc3d8692 [0,2,0,0,0,0|2,0,0]=4 7933 B12R1.372 CCOCCNc1sccc1C b8953ab30ba6df71a61c52041a1babe1 [0,2,0,0,0,0|1,0,0]=3 7934 B12R1.372 CCOCCNc1scnc1C 819115c59ffd5e70dd1b7f7126c39e28 [0,2,0,0,0,0|2,0,0]=4 7935 B12R1.372 CCOCCNc1sncc1C 0f28a46c5e41322f5b923caacae80ab1 [0,2,0,0,0,0|2,0,0]=4 7936 B12R1.372 CCOCCOc1cccn1C 1c3446e289708f2c7cd96a015dee064e [0,2,0,0,0,0|2,0,0]=4 7937 B12R1.372 CCOCNCc1cccn1C b32fd065de9cd4eca902fac61782987f [0,2,0,0,0,0|2,0,0]=4 7938 B12R1.372 CCOCNCc1occc1C 89c4c9f684a164b2aff3dae3216837d9 [0,2,0,0,0,0|1,1,0]=4 7939 B12R1.372 CCOCNCc1sccc1Cl 8fbe6d8a4b8ae46b29a3d5420d446619 [0,2,0,0,0,0|1,0,0]=3 7940 B12R1.372 CCOCNCc1sccc1F 990d5ba2efa1d41773fb2382b71587d1 [0,2,0,0,0,0|1,0,0]=3 7941 B12R1.372 CCOCNCc1scnc1Br 9ed1c1f3ed0e8710f7aa81aee305695e [0,2,0,0,0,0|2,0,0]=4 7942 B12R1.372 CCOCNCc1scnc1C 1e8e757d6415d067a2da0f3135187014 [0,2,0,0,0,0|2,0,0]=4 7943 B12R1.372 CCOCOCc1cccn1C 981cdd6b573eb72667d39073a1a6650b [0,2,0,0,0,0|2,0,0]=4 7944 B12R1.372 CCOCOCc1occc1C 061ecfdc40392bce13d30384fd9febdc [0,2,0,0,0,0|1,1,0]=4 7945 B12R1.372 CCSCCNc1scnc1C d6057ac30f1471b1c4ef8cc534b6c392 [0,2,0,0,0,0|2,0,0]=4 7946 B12R1.372 CCSCCOc1cccn1C 1ee57ab07142ae0c69a988d5dbfa0fcd [0,2,0,0,0,0|2,0,0]=4 7947 B12R1.372 COCCCNc1cccn1C fa611a5b841d19ce65c00e08955b0b9f [0,2,0,0,0,0|2,0,0]=4 7948 B12R1.372 COCCCNc1sccc1C 86afba880dedbddcadb7be9ee51ce203 [0,2,0,0,0,0|1,0,0]=3 7949 B12R1.372 COCCCNc1scnc1C 2c6dc9078fc356092fe97e8763e9f2d5 [0,2,0,0,0,0|2,0,0]=4 7950 B12R1.372 COCCCOc1cccn1C f3e4c6dbc2f91de6c0f5113193ce13cd [0,2,0,0,0,0|2,0,0]=4 7951 B12R1.372 COCCNCc1cccn1C 456bdad17a26509fed9d351dc3f5144e [0,2,0,0,0,0|2,0,0]=4 7952 B12R1.372 COCCNCc1occc1C 50c6f940c9e9002619ba62db40d9cf74 [0,2,0,0,0,0|1,1,0]=4 7953 B12R1.372 COCCNCc1sccc1Br 12d30235261a67a3da55aa210d084467 [0,2,0,0,0,0|1,0,0]=3 7954 B12R1.372 COCCNCc1sccc1Cl 63aec06101a84c1eb6b4e7fb44a2cebc [0,2,0,0,0,0|1,0,0]=3 7955 B12R1.372 COCCNCc1sccc1F e2e6891933b86c94f7410185bd71837a [0,2,0,0,0,0|1,0,0]=3 7956 B12R1.372 COCCNCc1scnc1Br dcb7d8c7836eba8c7eac8be01edcd7c0 [0,2,0,0,0,0|2,0,0]=4 7957 B12R1.372 COCCNCc1scnc1C bc9158fc2a61087f77de136e4aeb8c8a [0,2,0,0,0,0|2,0,0]=4 7958 B12R1.372 COCCNCc1scnc1Cl dc57f6d0eda6c80316a8f533f34f77a0 [0,2,0,0,0,0|2,0,0]=4 7959 B12R1.372 COCCOCc1cccn1C bc5d08f17cf03b2ba97fe87d6fee1d5d [0,2,0,0,0,0|2,0,0]=4 7960 B12R1.372 COCCOCc1occc1Br 6b649aa1fba86a8845b842d90bdedcab [0,2,0,0,0,0|1,1,0]=4 7961 B12R1.372 COCCOCc1occc1C adc10023266e783636416b159875adbe [0,2,0,0,0,0|1,1,0]=4 7962 B12R1.372 COCCOCc1sccc1Br e88b8431c82acea69491a50288c83606 [0,2,0,0,0,0|1,0,0]=3 7963 B12R1.372 COCCOCc1sccc1C 7884b6539037b121b37e2b93981477a6 [0,2,0,0,0,0|1,0,0]=3 7964 B12R1.372 COCCOCc1sccc1Cl 266956d21d66b238ca82818783767120 [0,2,0,0,0,0|1,0,0]=3 7965 B12R1.372 COCCOCc1sccc1F 3c3be8f43335e2b2a049edb881209716 [0,2,0,0,0,0|1,0,0]=3 7966 B12R1.372 COCCOCc1scnc1Br d33b90441a7f3dc085948218c88a6393 [0,2,0,0,0,0|2,0,0]=4 7967 B12R1.372 COCCOCc1scnc1C 717da5258aaa035822e7f9451ea096fe [0,2,0,0,0,0|2,0,0]=4 7968 B12R1.372 COCCOCc1scnc1Cl 7ef7d09f553af702323c7a82cf4fd1c3 [0,2,0,0,0,0|2,0,0]=4 7969 B12R1.372 COCCOCc1sncc1Br 27626c07f3e081e33e1bde26f246eb08 [0,2,0,0,0,0|2,0,0]=4 7970 B12R1.372 COCNCCc1cccn1C 868330d77b33b680abd668e4dcda84d9 [0,2,0,0,0,0|2,0,0]=4 7971 B12R1.372 COCNCCc1sccc1C b4a83b0dc90b7cb0346e29307627c485 [0,2,0,0,0,0|1,0,0]=3 7972 B12R1.372 COCNCCc1scnc1C 2c2caf422095ec8011fdfe7339440d3b [0,2,0,0,0,0|2,0,0]=4 7973 B12R1.372 COCOCCc1cccn1C 4926a146be0062cffce2d98557b0595e [0,2,0,0,0,0|2,0,0]=4 7974 B12R1.372 COCOCCc1scnc1C 3f3bd3b61896340ecee400b81cb53402 [0,2,0,0,0,0|2,0,0]=4 7975 B12R1.372 CSCCCNc1cccn1C 50ce3e8368062b78fe6631df9eeed5fc [0,2,0,0,0,0|2,0,0]=4 7976 B12R1.372 CSCCCNc1sccc1C 67a32c5d74f12fc1c99a120a39498207 [0,2,0,0,0,0|1,0,0]=3 7977 B12R1.372 CSCCCNc1scnc1C 4358122a819f9444b9c9a851a3838ee3 [0,2,0,0,0,0|2,0,0]=4 7978 B12R1.372 CSCCCOc1cccn1C 8a85e3df946773be75cb74c0816771a8 [0,2,0,0,0,0|2,0,0]=4 7979 B12R1.372 CSCCNCc1cccn1C 038977cc4c33310dc243c27073431f57 [0,2,0,0,0,0|2,0,0]=4 7980 B12R1.372 CSCCNCc1occc1C 261fa499133cbdf898fcf394ebf94c2f [0,2,0,0,0,0|1,1,0]=4 7981 B12R1.372 CSCCNCc1sccc1Br 5f7d0b326016fca9df2aff6a93e5fe96 [0,2,0,0,0,0|1,0,0]=3 7982 B12R1.372 CSCCNCc1sccc1Cl 872bf9539a2954af4fc1f2b13a4cce37 [0,2,0,0,0,0|1,0,0]=3 7983 B12R1.372 CSCCNCc1sccc1F dba160e80c6c9805e0a6ee51170f41dc [0,2,0,0,0,0|1,0,0]=3 7984 B12R1.372 CSCCNCc1scnc1Br e9b556445d2870a1bc4f67de0685704b [0,2,0,0,0,0|2,0,0]=4 7985 B12R1.372 CSCCNCc1scnc1C 722ccc300093c0deb66f569c69722738 [0,2,0,0,0,0|2,0,0]=4 7986 B12R1.372 CSCCNCc1scnc1Cl 3defe78245c1d4fbe3faca6c18e1a516 [0,2,0,0,0,0|2,0,0]=4 7987 B12R1.372 CSCCOCc1cccn1C 780fddc11a83737d9c87ab1c130b3271 [0,2,0,0,0,0|2,0,0]=4 7988 B12R1.372 CSCCOCc1occc1Br 10c4cdefb6846a16383b4eb1b48ebd77 [0,2,0,0,0,0|1,1,0]=4 7989 B12R1.372 CSCCOCc1occc1C 60e1cdf0ddf1b48f1db900e3a6c3a600 [0,2,0,0,0,0|1,1,0]=4 7990 B12R1.372 CSCCOCc1sccc1Br 28a7e8ae91f2ac644d2506e07657b796 [0,2,0,0,0,0|1,0,0]=3 7991 B12R1.372 CSCCOCc1sccc1C 5100e43ca6df946252d6ae52bee735aa [0,2,0,0,0,0|1,0,0]=3 7992 B12R1.372 CSCCOCc1sccc1Cl 073154e70baadd3c78c7b00a216f40c6 [0,2,0,0,0,0|1,0,0]=3 7993 B12R1.372 CSCCOCc1sccc1F e20dce88cb3edae92f42b8b4ef702904 [0,2,0,0,0,0|1,0,0]=3 7994 B12R1.372 CSCCOCc1scnc1Br c54235ac40bddceb3052cce07a73ef36 [0,2,0,0,0,0|2,0,0]=4 7995 B12R1.372 CSCCOCc1scnc1C 9b60034c5313a130671ea12cd657d4d5 [0,2,0,0,0,0|2,0,0]=4 7996 B12R1.372 CSCCOCc1scnc1Cl 9971cce45e4b19c7093459ba5bf2eb08 [0,2,0,0,0,0|2,0,0]=4 7997 B12R1.372 CSCCOCc1sncc1Br fe066a8f0a9e69766602e5b6de343ba1 [0,2,0,0,0,0|2,0,0]=4 7998 B12R1.372 CSCNCCc1cccn1C 3c6aefd96201607d1ae2112e8043bdb6 [0,2,0,0,0,0|2,0,0]=4 7999 B12R1.372 CSCNCCc1sccc1C a453bc3d5b9f055cdcc72952de1bb959 [0,2,0,0,0,0|1,0,0]=3 8000 B12R1.372 CSCNCCc1scnc1C 1e80f7c6c0910bf81a53c6ff0ac0c0e1 [0,2,0,0,0,0|2,0,0]=4 8001 B12R1.372 CSCOCCc1cccn1C 1b373389e0601eb6978e3821ce1ffbe9 [0,2,0,0,0,0|2,0,0]=4 8002 B12R1.372 CSCOCCc1scnc1C 2772717a9367a1cb5b13810845905228 [0,2,0,0,0,0|2,0,0]=4 8003 B12R1.372 Cc1ccoc1CNCCCF 01f5c1ace0fbddc05ff9a41d602d57ba [0,2,0,0,0,0|1,1,0]=4 8004 B12R1.372 Cc1ccoc1CNCCCO 549d5bbd00c5acb3a9d8e79de6eba044 [0,2,0,0,0,0|1,1,0]=4 8005 B12R1.372 Cc1ccoc1CNCCCS fba6e191ad2a0db4baaa2106907184fa [0,2,0,0,0,0|1,1,0]=4 8006 B12R1.372 Cc1ccoc1COCCCF b57988aafecf8f353827227aca630853 [0,2,0,0,0,0|1,1,0]=4 8007 B12R1.372 Cc1ccoc1COCCCS 510e175b1590d20f36d2e29ae50af71a [0,2,0,0,0,0|1,1,0]=4 8008 B12R1.372 Cc1ccsc1CCNCC#N 78a07d9309d4a886117c68fb0bc49e3b [0,2,0,0,0,0|1,0,1]=4 8009 B12R1.372 Cc1ccsc1CCNCC=O 1fe27c321cf7ce15cc51db875da04fe2 [0,2,0,0,0,0|1,0,1]=4 8010 B12R1.372 Cc1ccsc1CCNCCF c4fcf2c148a12f60cb85084d4f9b1147 [0,2,0,0,0,0|1,0,0]=3 8011 B12R1.372 Cc1ccsc1CCNCCO c863515fadec736521a05e6f0ea98ece [0,2,0,0,0,0|1,0,0]=3 8012 B12R1.372 Cc1ccsc1CCNCCS ada39e7b3323b60c2ced749723daa6e1 [0,2,0,0,0,0|1,0,0]=3 8013 B12R1.372 Cc1ccsc1COCCC#N 84a1787d8aa19e1b28fd8934fb3a922d [0,2,0,0,0,0|1,0,1]=4 8014 B12R1.372 Cc1ccsc1COCCC=O 95f1a80d4878a06714001c0cd5e49e2a [0,2,0,0,0,0|1,0,1]=4 8015 B12R1.372 Cc1ccsc1COCCCF 409dcbc032da926680a8ebefa193db8e [0,2,0,0,0,0|1,0,0]=3 8016 B12R1.372 Cc1ccsc1COCCCS 38538a6663d6e7062b3bde6b5d6810f1 [0,2,0,0,0,0|1,0,0]=3 8017 B12R1.372 Cc1ccsc1NCCCC#N 025872532a549bdcdd14d7440d7f5f74 [0,2,0,0,0,0|1,0,1]=4 8018 B12R1.372 Cc1ccsc1NCCCCCl 383a0b0e13b5ebfb762c8b37d6df3caf [0,2,0,0,0,0|1,0,0]=3 8019 B12R1.372 Cc1ccsc1NCCCCO 46322b7a6699fe742132be4bfd307d8e [0,2,0,0,0,0|1,0,0]=3 8020 B12R1.372 Cc1ccsc1NCCCCS 0e3d82d9bd2da715b92379fed2e4d5b4 [0,2,0,0,0,0|1,0,0]=3 8021 B12R1.372 Cc1cnsc1NCCCCCl 95c7e998c127e0049d319e865f7b1249 [0,2,0,0,0,0|2,0,0]=4 8022 B12R1.372 Cc1ncsc1CCCNCF 7b1a363b8a95c4456f0b574d01daf4d1 [0,2,0,0,0,0|2,0,0]=4 8023 B12R1.372 Cc1ncsc1CCCNCO 3d9b3ab5b6f17c52fce84af3d5751edb [0,2,0,0,0,0|2,0,0]=4 8024 B12R1.372 Cc1ncsc1CCCOCF d62d9ced6402a5ead5b271fac51b4c6a [0,2,0,0,0,0|2,0,0]=4 8025 B12R1.372 Cc1ncsc1CCNCCBr eb2eeba26124801b2ca32b3c6d9e2a5f [0,2,0,0,0,0|2,0,0]=4 8026 B12R1.372 Cc1ncsc1CCNCCF de8b56f553f939a2eb54d98a7be1a6dd [0,2,0,0,0,0|2,0,0]=4 8027 B12R1.372 Cc1ncsc1CCNCCI 83d81527aad1aef3c835e99ff5335c59 [0,2,0,0,0,0|2,0,0]=4 8028 B12R1.372 Cc1ncsc1CCNCCO e9d242826c7c4a9e44c045c8b89fb18d [0,2,0,0,0,0|2,0,0]=4 8029 B12R1.372 Cc1ncsc1CCNCCS 1195bdd016a096c643ec550f71316b2f [0,2,0,0,0,0|2,0,0]=4 8030 B12R1.372 Cc1ncsc1CCOCCF 2fad8e883305b6123e5ff73eaca0b21e [0,2,0,0,0,0|2,0,0]=4 8031 B12R1.372 Cc1ncsc1CCOCCS 762cfa879d21b9222a927bbc31e3bfda [0,2,0,0,0,0|2,0,0]=4 8032 B12R1.372 Cc1ncsc1CNCCCCl dc32c7b9d45f596d7c2358a4b4fe7c96 [0,2,0,0,0,0|2,0,0]=4 8033 B12R1.372 Cc1ncsc1CNCCCF 5b813dc0dbb99c92cec8d38fdf5dca09 [0,2,0,0,0,0|2,0,0]=4 8034 B12R1.372 Cc1ncsc1CNCCCO 8d11ec12173c4c336b7e9ef7cd0b09a1 [0,2,0,0,0,0|2,0,0]=4 8035 B12R1.372 Cc1ncsc1CNCCCS dc62a53fa485eb45344e5309bc9318ec [0,2,0,0,0,0|2,0,0]=4 8036 B12R1.372 Cc1ncsc1COCCCF 823a64b8dce877e12daba8d040dc854d [0,2,0,0,0,0|2,0,0]=4 8037 B12R1.372 Cc1ncsc1COCCCS 25fa215c1b917718186b8b3da363746f [0,2,0,0,0,0|2,0,0]=4 8038 B12R1.372 Cc1ncsc1NCCCCCl e874822e32c47458899856acda8cd767 [0,2,0,0,0,0|2,0,0]=4 8039 B12R1.372 Cc1ncsc1NCCCCF 1bab40a0598bcf430ac50a97f735cd5d [0,2,0,0,0,0|2,0,0]=4 8040 B12R1.372 Cc1ncsc1NCCCCO fe6bebace6ea5147d8883090eabb9dbc [0,2,0,0,0,0|2,0,0]=4 8041 B12R1.372 Cc1ncsc1NCCCCS 8c1e7130a4b46be4c1aaa73643f5ec41 [0,2,0,0,0,0|2,0,0]=4 8042 B12R1.372 ClCCCNCc1scnc1Cl 3df18d6d1a7d709e9ed895b804d852b4 [0,2,0,0,0,0|2,0,0]=4 8043 B12R1.372 Cn1cccc1CCNCCF 5062f096906aca4d55512fa5e668ff63 [0,2,0,0,0,0|2,0,0]=4 8044 B12R1.372 Cn1cccc1CCNCCO 30706425688f0c497aa485b53738da02 [0,2,0,0,0,0|2,0,0]=4 8045 B12R1.372 Cn1cccc1CCNCCS 3fd6dffb1c3246af5756a0e100ae91db [0,2,0,0,0,0|2,0,0]=4 8046 B12R1.372 Cn1cccc1CCOCCF aa7ac3c1ce2b2f82aeff365dc672fe5a [0,2,0,0,0,0|2,0,0]=4 8047 B12R1.372 Cn1cccc1CCOCCS eed0ac617eca321775e1ba6e1c33d658 [0,2,0,0,0,0|2,0,0]=4 8048 B12R1.372 Cn1cccc1CNCCCF d138b270a15e92d5fe8f6d69d19f6c96 [0,2,0,0,0,0|2,0,0]=4 8049 B12R1.372 Cn1cccc1CNCCCO c40554fc0938f6f3752082ac8cea8f38 [0,2,0,0,0,0|2,0,0]=4 8050 B12R1.372 Cn1cccc1CNCCCS 83a7860b1c2b3790e8e5d3a91428f4ff [0,2,0,0,0,0|2,0,0]=4 8051 B12R1.372 Cn1cccc1COCCCF 59c3270455bc0a29e169afb366d4d80a [0,2,0,0,0,0|2,0,0]=4 8052 B12R1.372 Cn1cccc1COCCCS e8c2880bfe056c688b42df9173ceda80 [0,2,0,0,0,0|2,0,0]=4 8053 B12R1.372 Cn1cccc1NCCCCCl 3c39daf11b9fa3ecbae51869fca1338f [0,2,0,0,0,0|2,0,0]=4 8054 B12R1.372 Cn1cccc1NCCCCO 612e43341fa314227371fe135ad6431f [0,2,0,0,0,0|2,0,0]=4 8055 B12R1.372 Cn1cccc1NCCCCS d052333ee0148f66bc3326e7d15fd085 [0,2,0,0,0,0|2,0,0]=4 8056 B12R1.372 Cn1cccc1OCCCCF 8f51503e454ea98ff67f87c766430f8e [0,2,0,0,0,0|2,0,0]=4 8057 B12R1.372 FCCCNCc1sccc1Cl 89aae18f051cc84d9e4fd0e2bf665ad6 [0,2,0,0,0,0|1,0,0]=3 8058 B12R1.372 FCCCNCc1sccc1F d0e74eee4ea75061d7d8fbf29c0a05ea [0,2,0,0,0,0|1,0,0]=3 8059 B12R1.372 FCCCNCc1scnc1Br e09ab3fbfbd142a8e179ade442ab27ea [0,2,0,0,0,0|2,0,0]=4 8060 B12R1.372 FCCCOCc1occc1Br 3972cee6048a14d9084d31efce5cc4f9 [0,2,0,0,0,0|1,1,0]=4 8061 B12R1.372 FCCCOCc1sccc1Br 71375be273160fd8f5ba3ce34f2cd023 [0,2,0,0,0,0|1,0,0]=3 8062 B12R1.372 FCCCOCc1sccc1Cl 4a6ee65a237148c0530722be73dbb3bd [0,2,0,0,0,0|1,0,0]=3 8063 B12R1.372 FCCCOCc1sccc1F a6b26a447328215df62ff0e5ff0a7d9f [0,2,0,0,0,0|1,0,0]=3 8064 B12R1.372 FCCCOCc1scnc1Br 0b2cd95b775689df43079da2b95901a9 [0,2,0,0,0,0|2,0,0]=4 8065 B12R1.372 FCCCOCc1scnc1Cl 4693a5dc96a00e7fdb8576e779006d55 [0,2,0,0,0,0|2,0,0]=4 8066 B12R1.372 FCCCOCc1sncc1Br 36a0f87bd063eace63b497a1fe43bfb5 [0,2,0,0,0,0|2,0,0]=4 8067 B12R1.372 Fc1ccsc1CNCCCS f344ab5917494dd10cf0867ad06c4b8b [0,2,0,0,0,0|1,0,0]=3 8068 B12R1.372 Fc1ccsc1COCCCS f12d31be4bfe7dae9064599e67f6627b [0,2,0,0,0,0|1,0,0]=3 8069 B12R1.372 N#CCCNCc1sccc1Br ef21169cc65cfde2a40a3e1c089bae76 [0,2,0,0,0,0|1,0,1]=4 8070 B12R1.372 N#CCCNCc1sccc1Cl c3eb75c8ac4d496d62c4e1e62ad0c685 [0,2,0,0,0,0|1,0,1]=4 8071 B12R1.372 N#CCCNCc1sccc1F 4e3e7fce172bee24e8239fd5e2618c78 [0,2,0,0,0,0|1,0,1]=4 8072 B12R1.372 N#CCCOCc1sccc1Br 7a42010796ac00651a27b96e2ca5c700 [0,2,0,0,0,0|1,0,1]=4 8073 B12R1.372 N#CCCOCc1sccc1Cl eb1ae42aa9cfbbe83ba1a806803ef7fe [0,2,0,0,0,0|1,0,1]=4 8074 B12R1.372 N#CCCOCc1sccc1F d30b664fb0fc879873e1eff5117f9a58 [0,2,0,0,0,0|1,0,1]=4 8075 B12R1.372 O=CCCNCc1sccc1Br e01a8d22821babd3d92807468678d86a [0,2,0,0,0,0|1,0,1]=4 8076 B12R1.372 O=CCCNCc1sccc1Cl e5ea9d788334d2c14d8a1cf71cddd4cc [0,2,0,0,0,0|1,0,1]=4 8077 B12R1.372 O=CCCNCc1sccc1F 77ccac9a8877ee2d62b3d75d0b3b605f [0,2,0,0,0,0|1,0,1]=4 8078 B12R1.372 O=CCCOCc1sccc1Br b6771c8af6fe22fba9c32dc0ecb07d50 [0,2,0,0,0,0|1,0,1]=4 8079 B12R1.372 O=CCCOCc1sccc1Cl e8ee6a959bc775e87fdd18a3f951db95 [0,2,0,0,0,0|1,0,1]=4 8080 B12R1.372 O=CCCOCc1sccc1F 268fc0fae398620f2b7aa8e310bb06f9 [0,2,0,0,0,0|1,0,1]=4 8081 B12R1.372 O=CCOCCc1sccc1Br 4209b7e18e7cfe8b6c012fb162c5e44e [0,2,0,0,0,0|1,0,1]=4 8082 B12R1.372 OCCCNCc1sccc1Br a42779997a2ae66f15fb8896e729e863 [0,2,0,0,0,0|1,0,0]=3 8083 B12R1.372 OCCCNCc1sccc1Cl 1a6b5a4334ce087dccf47537e6a73c41 [0,2,0,0,0,0|1,0,0]=3 8084 B12R1.372 OCCCNCc1sccc1F 50b0d6e55ef688a09c4e95c3105582fa [0,2,0,0,0,0|1,0,0]=3 8085 B12R1.372 OCCCNCc1scnc1Br 5948b2badda82f5284de3507e5e19b0b [0,2,0,0,0,0|2,0,0]=4 8086 B12R1.372 OCCCNCc1scnc1Cl 846cac249f2df1f00340056adda4249c [0,2,0,0,0,0|2,0,0]=4 8087 B12R1.372 SCCCNCc1sccc1Br 45139e9eb4316ae08cbe71e49195d62a [0,2,0,0,0,0|1,0,0]=3 8088 B12R1.372 SCCCNCc1sccc1Cl 40f447126f7dc728851c96cc3fac5fb9 [0,2,0,0,0,0|1,0,0]=3 8089 B12R1.372 SCCCNCc1scnc1Br cfec9b767a3027bbed3d3a89680bca08 [0,2,0,0,0,0|2,0,0]=4 8090 B12R1.372 SCCCOCc1occc1Br ef4391f7f407e503742b948863f63a16 [0,2,0,0,0,0|1,1,0]=4 8091 B12R1.372 SCCCOCc1sccc1Cl 7c5fc2fa3f3e8618231b6ad4dbf90dd9 [0,2,0,0,0,0|1,0,0]=3 8092 B12R1.372 SCCCOCc1scnc1Br c28b281c4f73f10ec2836e149caada1e [0,2,0,0,0,0|2,0,0]=4 8093 B12R1.372 SCCCOCc1scnc1Cl 89681919f6b368a82cdb60661e661371 [0,2,0,0,0,0|2,0,0]=4 8094 B12R1.372 SCCCOCc1sncc1Br 922a3029d1013a8e9f725ddd2da5e8fd [0,2,0,0,0,0|2,0,0]=4 8095 B12R1.477 BrCC(Br)CNCc1ccco1 26d47f1d2ff70c83970cb31508e13c89 [0,2,0,0,0,0|1,1,0]=4 8096 B12R1.477 BrCC(Br)CNCc1cccs1 b4e58fe2fae64a3602ddd2fcfe1cf328 [0,2,0,0,0,0|1,0,0]=3 8097 B12R1.477 BrCC(Br)CNCc1nccs1 321593d164ac59942f5770948fc50d42 [0,2,0,0,0,0|2,0,0]=4 8098 B12R1.477 BrCC(Br)COCc1ccco1 8fe9c2aa5cbb0ac8f36286437c703a48 [0,2,0,0,0,0|1,1,0]=4 8099 B12R1.477 BrCC(Br)COCc1cccs1 b9a68ba0ff7a55cd2f7d65c0312c5a94 [0,2,0,0,0,0|1,0,0]=3 8100 B12R1.477 BrCC(Br)COCc1nccs1 1daae0777a4032aafd18c05163b2b75a [0,2,0,0,0,0|2,0,0]=4 8101 B12R1.477 C#CC(C)NCCc1ccc[nH]1 c04f2b67144dd459966a25773c767bec [0,2,0,0,0,0|2,0,0]=4 8102 B12R1.477 C#CC(C)NCCc1cccs1 dc46d1a192c6d423ed88eb5e41528fcd [0,2,0,0,0,0|1,0,0]=3 8103 B12R1.477 C#CC(C)NCCc1nccs1 8933581a95df5a56ff1accc9132c9808 [0,2,0,0,0,0|2,0,0]=4 8104 B12R1.477 C#CC(C)OCCc1ccc[nH]1 d09d923b6cb3b3cdec163d2a99ac904b [0,2,0,0,0,0|2,0,0]=4 8105 B12R1.477 C#CC(C)OCCc1cccs1 176f4f2e8ae8d2d3de0beea3dacf4097 [0,2,0,0,0,0|1,0,0]=3 8106 B12R1.477 C#CC(C)OCCc1nccs1 0a2aafbb5aa50fad4c35d848f02de491 [0,2,0,0,0,0|2,0,0]=4 8107 B12R1.477 C#C[C@@H](C)NCCc1cccs1 f3af86d7b6ef7c2c236e5df014748a59 [0,2,0,0,0,0|1,0,0]=3 8108 B12R1.477 C#C[C@@H](C)OCCc1cccs1 869761c8a6a207ac5f8f0c27ab915abb [0,2,0,0,0,0|1,0,0]=3 8109 B12R1.477 C#C[C@H](C)NCCc1cccs1 9be9b61f66fc03ff31e1232f5f646c23 [0,2,0,0,0,0|1,0,0]=3 8110 B12R1.477 C#C[C@H](C)OCCc1cccs1 042ccbc8124cc7368e6191c66fbd6ab0 [0,2,0,0,0,0|1,0,0]=3 8111 B12R1.477 C/C(=C\I)/COCc1cccs1 8370a4503b09e1e39be444666a0780c3 [0,2,0,0,0,0|1,0,1]=4 8112 B12R1.477 C=C(CC)CNCc1ccc[nH]1 fc4b541c437c6626f45420b23c40cc21 [0,2,0,0,0,0|1,0,1]=4 8113 B12R1.477 C=C(CC)CNCc1ccco1 de7480fb5a36c60e5b464ab1d38fd0a4 [0,2,0,0,0,0|0,1,1]=4 8114 B12R1.477 C=C(CC)CNCc1cccs1 32b1cbbcb13b1ec231c58ebeb16628a6 [0,2,0,0,0,0|0,0,1]=3 8115 B12R1.477 C=C(CC)CNCc1ccns1 adcc8e992db95282eaaa7477f654fbf1 [0,2,0,0,0,0|1,0,1]=4 8116 B12R1.477 C=C(CC)CNCc1cncs1 5d4f05e58291113a077d3226cfd15621 [0,2,0,0,0,0|1,0,1]=4 8117 B12R1.477 C=C(CC)CNCc1nccs1 955f0ebe452795fac8a4d65c4ae776e9 [0,2,0,0,0,0|1,0,1]=4 8118 B12R1.477 C=C(CC)COCc1ccc[nH]1 02a0124be9b4b27066f3952f748b8fbd [0,2,0,0,0,0|1,0,1]=4 8119 B12R1.477 C=C(CC)COCc1cccs1 c720e0ce6aca4115037cf99e041d4994 [0,2,0,0,0,0|0,0,1]=3 8120 B12R1.477 C=C(CC)COCc1ccns1 9ffd4afb0ea5e1491bc57be02c243551 [0,2,0,0,0,0|1,0,1]=4 8121 B12R1.477 C=C(CC)COCc1cncs1 ce58673b4c750087118a63b8a7a691d1 [0,2,0,0,0,0|1,0,1]=4 8122 B12R1.477 C=C(CC)COCc1nccs1 614255ad28a5bbf23f265625f8f37cf9 [0,2,0,0,0,0|1,0,1]=4 8123 B12R1.477 C=C(CNCc1cccs1)OC b31b4987104ad659db72dac88b1726cd [0,2,0,0,0,0|1,0,1]=4 8124 B12R1.477 C=C(CO)CNCc1cccs1 4c47e820acb83eb3d018b17328e38399 [0,2,0,0,0,0|1,0,1]=4 8125 B12R1.477 C=C(COCc1cccs1)OC 3e4fb473b97055c43b0214605133dfda [0,2,0,0,0,0|1,0,1]=4 8126 B12R1.477 C=CC(C)COCc1ccco1 d80556846c4492beb29aba12151aec3d [0,2,0,0,0,0|1,1,0]=4 8127 B12R1.477 C=CC(C)COCc1cccs1 12dd9e86c33486d589955ab65047a555 [0,2,0,0,0,0|1,0,0]=3 8128 B12R1.477 C=CC(C)COCc1nccs1 ff78550c9c0fa011ceb96388e9ea6dce [0,2,0,0,0,0|2,0,0]=4 8129 B12R1.477 C=CC(C)NCCc1ccc[nH]1 b8c5063221aadf6ca560ca4cd24870d9 [0,2,0,0,0,0|2,0,0]=4 8130 B12R1.477 C=CC(C)NCCc1ccco1 f6815c0570f9c846f49bc5828795275b [0,2,0,0,0,0|1,1,0]=4 8131 B12R1.477 C=CC(C)NCCc1cccs1 65301961342a8ea718c4a8bb3f7bc3dd [0,2,0,0,0,0|1,0,0]=3 8132 B12R1.477 C=CC(C)NCCc1nccs1 e55aff597d1574e8d6f6c274c083e36c [0,2,0,0,0,0|2,0,0]=4 8133 B12R1.477 C=CC(C)OCCc1ccc[nH]1 b9c6cd232ef8bb6f64024fa5f9494dbb [0,2,0,0,0,0|2,0,0]=4 8134 B12R1.477 C=CC(C)OCCc1ccco1 71675fb601220f2ddc778805c998052b [0,2,0,0,0,0|1,1,0]=4 8135 B12R1.477 C=CC(C)OCCc1cccs1 6486960dd4196e0912288efb5b19c8b0 [0,2,0,0,0,0|1,0,0]=3 8136 B12R1.477 C=CC(C)OCCc1nccs1 ba6ec5e6680f67f5553364358ddd00e8 [0,2,0,0,0,0|2,0,0]=4 8137 B12R1.477 C=CC(O)CNCc1cccs1 3bad092f6b2ed3b40374c44b38133a92 [0,2,0,0,0,0|0,0,2]=4 8138 B12R1.477 C=C[C@H](C)OCCc1cccs1 9b7d13e8ca16c262a96cd74f6dea1f3e [0,2,0,0,0,0|1,0,0]=3 8139 B12R1.477 CC(=CI)COCc1cccs1 28139bbc86af65613b007374e8cd628e [0,2,0,0,0,0|1,0,1]=4 8140 B12R1.477 CC(C#N)CNCc1ccc[nH]1 51b7183e6a497087c8cf2eb975e48efe [0,2,0,0,0,0|2,0,0]=4 8141 B12R1.477 CC(C#N)CNCc1ccco1 e2378c73bbc66d70a4b4daa1f9a60782 [0,2,0,0,0,0|1,1,0]=4 8142 B12R1.477 CC(C#N)CNCc1cccs1 8d5a5a24ee1dbe3cd2f23e5cdb419cfd [0,2,0,0,0,0|1,0,0]=3 8143 B12R1.477 CC(C#N)CNCc1ccns1 8c81344f775ed816e2000b6968ec0c60 [0,2,0,0,0,0|2,0,0]=4 8144 B12R1.477 CC(C#N)CNCc1cncs1 f69e8a82ab6b0bf00c6d5fadc0cbfa20 [0,2,0,0,0,0|2,0,0]=4 8145 B12R1.477 CC(C#N)CNCc1nccs1 e2f44cb00665544c6c7a414fa32810fe [0,2,0,0,0,0|2,0,0]=4 8146 B12R1.477 CC(C#N)COCc1ccc[nH]1 1b6d127ca500a89d3052d375a91a4b7c [0,2,0,0,0,0|2,0,0]=4 8147 B12R1.477 CC(C#N)COCc1ccco1 bb09c05070db1192420ade599fb3f613 [0,2,0,0,0,0|1,1,0]=4 8148 B12R1.477 CC(C#N)COCc1cccs1 c4db082a1733ab9b4e2fa8bfd689eefb [0,2,0,0,0,0|1,0,0]=3 8149 B12R1.477 CC(C#N)COCc1ccns1 924cd82e46bb1ffda9ad306605b4f5a0 [0,2,0,0,0,0|2,0,0]=4 8150 B12R1.477 CC(C#N)COCc1nccs1 3397ccdb21c3f3c2d3d1a533e4b4ea3f [0,2,0,0,0,0|2,0,0]=4 8151 B12R1.477 CC(C#N)NCCc1ccc[nH]1 b340960faebf72bc5194de814283e195 [0,2,0,0,0,0|2,0,0]=4 8152 B12R1.477 CC(C#N)NCCc1cccs1 d9ca8e87295c06887e3f48a9f92b97d1 [0,2,0,0,0,0|1,0,0]=3 8153 B12R1.477 CC(C#N)NCCc1nccs1 5165e5d9f3836588e30425a1de02ff9e [0,2,0,0,0,0|2,0,0]=4 8154 B12R1.477 CC(C#N)OCCc1nccs1 e97f215c5f94020e53ea7f4b071ced89 [0,2,0,0,0,0|2,0,0]=4 8155 B12R1.477 CC(C=O)NCCc1ccc[nH]1 3f7ddb22392788b27286076425c8819c [0,2,0,0,0,0|2,0,0]=4 8156 B12R1.477 CC(C=O)NCCc1ccco1 74c805978d89fb335630f3e0efc6cf33 [0,2,0,0,0,0|1,1,0]=4 8157 B12R1.477 CC(C=O)NCCc1cccs1 3ed6f4f435c825f7bd74abf741af2ade [0,2,0,0,0,0|1,0,0]=3 8158 B12R1.477 CC(C=O)NCCc1nccs1 b56a5c252d94a482e98bc93b4ac368a4 [0,2,0,0,0,0|2,0,0]=4 8159 B12R1.477 CC(C=O)OCCc1ccc[nH]1 30bc43bc4e51acb97c75a1a1145751c8 [0,2,0,0,0,0|2,0,0]=4 8160 B12R1.477 CC(C=O)OCCc1ccco1 ab33596ad02716f50eb32de5fbdc10c2 [0,2,0,0,0,0|1,1,0]=4 8161 B12R1.477 CC(C=O)OCCc1cccs1 4c7dd0b4d4402a9c4b2306985cd740a0 [0,2,0,0,0,0|1,0,0]=3 8162 B12R1.477 CC(C=O)OCCc1nccs1 3ef5cdbb36a0850512068e7953b155c1 [0,2,0,0,0,0|2,0,0]=4 8163 B12R1.477 CC(CF)OCCc1cccs1 5b809c80454487c23d6e7d50a7ac183f [0,2,0,0,0,0|1,0,0]=3 8164 B12R1.477 CC(CO)CCNc1ccco1 f44130ab2a7be1f846b1268baba7ea22 [0,2,0,0,0,0|1,1,0]=4 8165 B12R1.477 CC(CO)CCNc1cccs1 c33f51a808f1bbeadc2921e4acddc180 [0,2,0,0,0,0|1,0,0]=3 8166 B12R1.477 CC(CO)CCNc1ccns1 b8d5b72aa60a6d1ce7f9537c5ee9575c [0,2,0,0,0,0|2,0,0]=4 8167 B12R1.477 CC(CO)CCNc1cncs1 cacfa1ae0af5d1e7869e415583ed63fe [0,2,0,0,0,0|2,0,0]=4 8168 B12R1.477 CC(CO)CCNc1nccs1 f021435a5f4999ea420464e8f02ac9e8 [0,2,0,0,0,0|2,0,0]=4 8169 B12R1.477 CC(CO)CNCc1ccc[nH]1 5a3a377fe4c11d8edd766f90238ad682 [0,2,0,0,0,0|2,0,0]=4 8170 B12R1.477 CC(CO)CNCc1ccco1 f53b670893dc695721b10876dfad4c89 [0,2,0,0,0,0|1,1,0]=4 8171 B12R1.477 CC(CO)CNCc1cccs1 39456682293630f08269a70f32df9f48 [0,2,0,0,0,0|1,0,0]=3 8172 B12R1.477 CC(CO)CNCc1ccns1 9a65b17e588192018d7c40cc6200bf5e [0,2,0,0,0,0|2,0,0]=4 8173 B12R1.477 CC(CO)CNCc1cncs1 23943ccde4b9579862b49b76b6d270ee [0,2,0,0,0,0|2,0,0]=4 8174 B12R1.477 CC(CO)CNCc1nccs1 bdb34ea8c2e92f02bfd789a384cc61fe [0,2,0,0,0,0|2,0,0]=4 8175 B12R1.477 CC(CO)NCCc1ccc[nH]1 b4e04d36281098d14fd99008b22985ff [0,2,0,0,0,0|2,0,0]=4 8176 B12R1.477 CC(CO)NCCc1ccco1 07d1fdea461fdf9882b1959144a3964a [0,2,0,0,0,0|1,1,0]=4 8177 B12R1.477 CC(CO)NCCc1cccs1 d46f0da9affe2034c823b1dfc89ce413 [0,2,0,0,0,0|1,0,0]=3 8178 B12R1.477 CC(CO)NCCc1nccs1 55cbb969dfbc8e40c5b8dac2ecf2292a [0,2,0,0,0,0|2,0,0]=4 8179 B12R1.477 CC(CS)OCCc1cccs1 bfa1cb68216ceac197cf2f11c0b2f0cd [0,2,0,0,0,0|1,0,0]=3 8180 B12R1.477 CCC(=O)CNCc1ccc[nH]1 3221180a38e4641c93c4543465d8adb3 [0,2,0,0,0,0|1,0,1]=4 8181 B12R1.477 CCC(=O)CNCc1ccco1 332fbee55619f533c08ae7d9332b6766 [0,2,0,0,0,0|0,1,1]=4 8182 B12R1.477 CCC(=O)CNCc1cccs1 fa9708472910a71ebed18db35c96e0d0 [0,2,0,0,0,0|0,0,1]=3 8183 B12R1.477 CCC(=O)CNCc1ccns1 29cbbe22bb29379740aa1c5cb244dec9 [0,2,0,0,0,0|1,0,1]=4 8184 B12R1.477 CCC(=O)CNCc1cncs1 11626b1de273dfe11a4a39e3d0fe7af3 [0,2,0,0,0,0|1,0,1]=4 8185 B12R1.477 CCC(=O)CNCc1nccs1 d5546d7deb5dcdf8eac64b530ddf7ef4 [0,2,0,0,0,0|1,0,1]=4 8186 B12R1.477 CCC(=O)COCc1ccc[nH]1 f686d906313a26ba2c68978346cdd9ad [0,2,0,0,0,0|1,0,1]=4 8187 B12R1.477 CCC(=O)COCc1ccco1 68361409d1dbfb6e8674ce6dc25f290a [0,2,0,0,0,0|0,1,1]=4 8188 B12R1.477 CCC(=O)COCc1cccs1 18e63268f947d8a64791e46423b910f1 [0,2,0,0,0,0|0,0,1]=3 8189 B12R1.477 CCC(=O)COCc1ccns1 f748084dc292a1fee0432edb359145ee [0,2,0,0,0,0|1,0,1]=4 8190 B12R1.477 CCC(=O)COCc1cncs1 41d3b0e432be430fb2a939a098afdfc9 [0,2,0,0,0,0|1,0,1]=4 8191 B12R1.477 CCC(=O)COCc1nccs1 9a2fb8503586a9962366526422a7f124 [0,2,0,0,0,0|1,0,1]=4 8192 B12R1.477 CCC(=O)NCCc1ccco1 a57a3f81596031473f72e71516ffc990 [0,2,0,0,0,0|0,1,1]=4 8193 B12R1.477 CCC(=O)NCCc1cccs1 fc6c794fcf581c196e6509dcd1a8b636 [0,2,0,0,0,0|0,0,1]=3 8194 B12R1.477 CCC(=O)NCCc1nccs1 de69a1fbc50f98bee8e6c626d637b1b7 [0,2,0,0,0,0|1,0,1]=4 8195 B12R1.477 CCC(=O)OCOc1cccs1 3448581a546aebfa49a4e73797b52cea [0,2,0,0,0,0|1,0,1]=4 8196 B12R1.477 CCC(C)CCNc1c[nH]cn1 3448799ed7edc1d9d7c11b7d0c0f9522 [0,2,0,0,0,0|2,0,0]=4 8197 B12R1.477 CCC(C)CCNc1cc[nH]n1 6929914fe164f79a3bc59e5216f3fdbc [0,2,0,0,0,0|2,0,0]=4 8198 B12R1.477 CCC(C)CCNc1cccs1 3fc27275bbca833d8c319f63ff4ea1ab [0,2,0,0,0,0|0,0,0]=2 8199 B12R1.477 CCC(C)CCNc1ccno1 7a8ea0ec15bf89de26a6b9b250f86ca1 [0,2,0,0,0,0|1,1,0]=4 8200 B12R1.477 CCC(C)CCNc1ccns1 8fbb82f0b18a4b273169bda03ef2f995 [0,2,0,0,0,0|1,0,0]=3 8201 B12R1.477 CCC(C)CCNc1ccoc1 ab356f84591839a2354e589256591ae8 [0,2,0,0,0,0|2,0,0]=4 8202 B12R1.477 CCC(C)CCNc1ccon1 a5e86f2c83054473fb437c7ae01b2df9 [0,2,0,0,0,0|2,0,0]=4 8203 B12R1.477 CCC(C)CCNc1ccsc1 6611409aeccf7b586271779694dd1658 [0,2,0,0,0,0|2,0,0]=4 8204 B12R1.477 CCC(C)CCNc1cncs1 f108ab99ad289ee5c1c99a2e2dedd951 [0,2,0,0,0,0|1,0,0]=3 8205 B12R1.477 CCC(C)CCNc1cnns1 efa7d0de642860b204defb8158b16493 [0,2,0,0,0,0|2,0,0]=4 8206 B12R1.477 CCC(C)CCNc1cocn1 8741d91f5c1196c0287c0931a100d130 [0,2,0,0,0,0|2,0,0]=4 8207 B12R1.477 CCC(C)CCNc1cscn1 52f39a4e335f9d40899c628f0e0bd757 [0,2,0,0,0,0|2,0,0]=4 8208 B12R1.477 CCC(C)CCNc1ncc[nH]1 573d117cc0d42c272aabb624c021282e [0,2,0,0,0,0|2,0,0]=4 8209 B12R1.477 CCC(C)CCNc1ncco1 5f50e6162442a0e827c7ecee0e35639c [0,2,0,0,0,0|1,1,0]=4 8210 B12R1.477 CCC(C)CCNc1nccs1 76d0a23da3673aca9579ecadfd81e195 [0,2,0,0,0,0|1,0,0]=3 8211 B12R1.477 CCC(C)CCNc1ncns1 79813964dd23f4c34df74b5cf0515ccf [0,2,0,0,0,0|2,0,0]=4 8212 B12R1.477 CCC(C)CCNc1nncs1 c4b6c20fbc3ac8795b69d980b3367d7d [0,2,0,0,0,0|2,0,0]=4 8213 B12R1.477 CCC(C)CCOc1c[nH]cn1 54cfcda8e72c7d8e54bb4a371f399336 [0,2,0,0,0,0|2,0,0]=4 8214 B12R1.477 CCC(C)CCOc1ccco1 c6b91cea160d9e5c81a3d54aee79627b [0,2,0,0,0,0|0,1,0]=3 8215 B12R1.477 CCC(C)CCOc1cccs1 37cac22a4962870cd049ffc0757038ca [0,2,0,0,0,0|0,0,0]=2 8216 B12R1.477 CCC(C)CCOc1ccn[nH]1 3c91c3a1073203bc1c262f0d1be2fdc4 [0,2,0,0,0,0|2,0,0]=4 8217 B12R1.477 CCC(C)CCOc1ccsc1 a7a504299d49e108033ea93e6013d1e8 [0,2,0,0,0,0|2,0,0]=4 8218 B12R1.477 CCC(C)CCOc1nccs1 2f1f6d4d24dd417bc67634a062c74716 [0,2,0,0,0,0|1,0,0]=3 8219 B12R1.477 CCC(C)CCOc1nncs1 b89b37a650378b93ecc9a9b0b42df4dd [0,2,0,0,0,0|2,0,0]=4 8220 B12R1.477 CCC(C)CCOn1cccn1 a039cab928328d335eb7eeeb4a9abe24 [0,2,0,0,0,0|2,0,0]=4 8221 B12R1.477 CCC(C)CNCc1cc[nH]c1 0b2c9e8896e1d91b979363a6d7cc68ee [0,2,0,0,0,0|2,0,0]=4 8222 B12R1.477 CCC(C)CNCc1ccc[nH]1 529b23b4322097971bf9b7049fa6b56a [0,2,0,0,0,0|1,0,0]=3 8223 B12R1.477 CCC(C)CNCc1ccco1 da00da89af4941a857a137d122824a22 [0,2,0,0,0,0|0,1,0]=3 8224 B12R1.477 CCC(C)CNCc1cccs1 aa06bd2759bc0752a07a2e8ed2802feb [0,2,0,0,0,0|0,0,0]=2 8225 B12R1.477 CCC(C)CNCc1ccn[nH]1 47f53a5600e1054e22965f6dbed8f5c5 [0,2,0,0,0,0|2,0,0]=4 8226 B12R1.477 CCC(C)CNCc1ccno1 0b321e6b8857ca1487539f60af846497 [0,2,0,0,0,0|1,1,0]=4 8227 B12R1.477 CCC(C)CNCc1ccns1 01abff20a964f3049dd8a8776b2d6877 [0,2,0,0,0,0|1,0,0]=3 8228 B12R1.477 CCC(C)CNCc1ccoc1 a7ba94e3db8a309dba4d2881c9eaba5d [0,2,0,0,0,0|2,0,0]=4 8229 B12R1.477 CCC(C)CNCc1ccon1 f7fb55e6d1b31d7592ff01ba4f129dac [0,2,0,0,0,0|2,0,0]=4 8230 B12R1.477 CCC(C)CNCc1ccsc1 9683e770dfa28c0b640c8a93816705e8 [0,2,0,0,0,0|2,0,0]=4 8231 B12R1.477 CCC(C)CNCc1ccsn1 205844ad700fdd49445ae7b565644c8c [0,2,0,0,0,0|2,0,0]=4 8232 B12R1.477 CCC(C)CNCc1cnc[nH]1 f05a829ef2c07d55f07bfc92056de479 [0,2,0,0,0,0|2,0,0]=4 8233 B12R1.477 CCC(C)CNCc1cnco1 eacf03ae7cfd982c7cd0fe5be6b5e8f8 [0,2,0,0,0,0|1,1,0]=4 8234 B12R1.477 CCC(C)CNCc1cncs1 82d0625edc624df8ff209b948ec3272f [0,2,0,0,0,0|1,0,0]=3 8235 B12R1.477 CCC(C)CNCc1cocn1 4937a1bb52cc566c9922cc6d013268d4 [0,2,0,0,0,0|2,0,0]=4 8236 B12R1.477 CCC(C)CNCc1cscn1 d13053ef1b5fd28dd9dcdcfec9a1d3d8 [0,2,0,0,0,0|2,0,0]=4 8237 B12R1.477 CCC(C)CNCc1ncc[nH]1 61eb85b00038758a0c431bc352adc2a8 [0,2,0,0,0,0|2,0,0]=4 8238 B12R1.477 CCC(C)CNCc1ncco1 4cf3fe04a7f5e46763a5a6c7eac38fb8 [0,2,0,0,0,0|1,1,0]=4 8239 B12R1.477 CCC(C)CNCc1nccs1 b8b9845d194fc9bb29745b2edba4dc89 [0,2,0,0,0,0|1,0,0]=3 8240 B12R1.477 CCC(C)COCc1cc[nH]c1 e988870d0422a34f5010014f71db211d [0,2,0,0,0,0|2,0,0]=4 8241 B12R1.477 CCC(C)COCc1ccc[nH]1 639b940bd8fe2f68114996a9050f6de1 [0,2,0,0,0,0|1,0,0]=3 8242 B12R1.477 CCC(C)COCc1ccco1 303c2b101f181a81a7ff76774d5bfe70 [0,2,0,0,0,0|0,1,0]=3 8243 B12R1.477 CCC(C)COCc1cccs1 b69cc264d1ac795a933e8b8b8e301a20 [0,2,0,0,0,0|0,0,0]=2 8244 B12R1.477 CCC(C)COCc1ccn[nH]1 dd6d8b1a56324f400bdb7d3593f5182f [0,2,0,0,0,0|2,0,0]=4 8245 B12R1.477 CCC(C)COCc1ccno1 a8b099d95c5f778f414f2c835456d4bc [0,2,0,0,0,0|1,1,0]=4 8246 B12R1.477 CCC(C)COCc1ccns1 3b5b3347fd2e7a2cea1f4c783e286cb9 [0,2,0,0,0,0|1,0,0]=3 8247 B12R1.477 CCC(C)COCc1ccoc1 70661d31a17899a03560df4129cb9c35 [0,2,0,0,0,0|2,0,0]=4 8248 B12R1.477 CCC(C)COCc1ccon1 8ab995012218fc3ece01877f6fa6ccb8 [0,2,0,0,0,0|2,0,0]=4 8249 B12R1.477 CCC(C)COCc1ccsc1 bdb27b33669dad4e459710db11eb6483 [0,2,0,0,0,0|2,0,0]=4 8250 B12R1.477 CCC(C)COCc1ccsn1 29d0c6da80510724fa0e66d84545f971 [0,2,0,0,0,0|2,0,0]=4 8251 B12R1.477 CCC(C)COCc1cnc[nH]1 0a6a4d162d1d75884970affc6cc468a7 [0,2,0,0,0,0|2,0,0]=4 8252 B12R1.477 CCC(C)COCc1cnco1 a33aa3c7797f4720e6ee45eadcb8a54c [0,2,0,0,0,0|1,1,0]=4 8253 B12R1.477 CCC(C)COCc1cncs1 f545647ef8512631fd42b290c541cfbd [0,2,0,0,0,0|1,0,0]=3 8254 B12R1.477 CCC(C)COCc1cocn1 cd1b23a5e81e6661576ecaa8048a29ff [0,2,0,0,0,0|2,0,0]=4 8255 B12R1.477 CCC(C)COCc1cscn1 db2aa167b4338d2e1332090a1ce9535c [0,2,0,0,0,0|2,0,0]=4 8256 B12R1.477 CCC(C)COCc1ncc[nH]1 a7a5da9feeb0034ad61030d9e1e6b211 [0,2,0,0,0,0|2,0,0]=4 8257 B12R1.477 CCC(C)COCc1ncco1 1ffddd5859ae12bfd5e111b999277239 [0,2,0,0,0,0|1,1,0]=4 8258 B12R1.477 CCC(C)COCc1nccs1 60c0b8d8e0410a241baf1f328f6a1102 [0,2,0,0,0,0|1,0,0]=3 8259 B12R1.477 CCC(C)COCc1ncns1 1cafa382bbb2413fd0bee976d18fb653 [0,2,0,0,0,0|2,0,0]=4 8260 B12R1.477 CCC(C)COCn1cccn1 090fc6e8a1fe903572ee1a5e472207fd [0,2,0,0,0,0|2,0,0]=4 8261 B12R1.477 CCC(C)NCCc1c[nH]cn1 6864b52385935181b7809d729536d95f [0,2,0,0,0,0|2,0,0]=4 8262 B12R1.477 CCC(C)NCCc1cc[nH]n1 d1990c113d13f8baefc82b83f1b14e95 [0,2,0,0,0,0|2,0,0]=4 8263 B12R1.477 CCC(C)NCCc1ccc[nH]1 3ce03adf94c574865ac1f911903fe063 [0,2,0,0,0,0|1,0,0]=3 8264 B12R1.477 CCC(C)NCCc1ccco1 d92ca72f114acb530a63fbc6e4b9e7b7 [0,2,0,0,0,0|0,1,0]=3 8265 B12R1.477 CCC(C)NCCc1cccs1 b1e8daa92ad2641d0d3d78fbb2ad2d8f [0,2,0,0,0,0|0,0,0]=2 8266 B12R1.477 CCC(C)NCCc1ccsc1 75433a39347f49f7c6bcb625df3090a6 [0,2,0,0,0,0|2,0,0]=4 8267 B12R1.477 CCC(C)NCCc1cscn1 122d85315d320cc834319bdbb2f3a989 [0,2,0,0,0,0|2,0,0]=4 8268 B12R1.477 CCC(C)NCCc1ncc[nH]1 3bf9036fa038274184b9d64cc670aa7f [0,2,0,0,0,0|2,0,0]=4 8269 B12R1.477 CCC(C)NCCc1nccs1 3e8ea576330bbdf7bda31e6e92d46487 [0,2,0,0,0,0|1,0,0]=3 8270 B12R1.477 CCC(C)NCCc1nncs1 54bed20b107c00c9771a6dfe7ca06e06 [0,2,0,0,0,0|2,0,0]=4 8271 B12R1.477 CCC(C)NCCn1cccc1 e691c822e8a9fea41f0f71c7dc06217b [0,2,0,0,0,0|2,0,0]=4 8272 B12R1.477 CCC(C)NCCn1cccn1 ecf3d4b6226d466baa5f06518382203a [0,2,0,0,0,0|2,0,0]=4 8273 B12R1.477 CCC(C)OCCc1c[nH]cn1 f8dc772e0970bda624f694956c800f15 [0,2,0,0,0,0|2,0,0]=4 8274 B12R1.477 CCC(C)OCCc1cc[nH]n1 5a6f14b1c7e10e73e0843828ae944018 [0,2,0,0,0,0|2,0,0]=4 8275 B12R1.477 CCC(C)OCCc1ccc[nH]1 9cea99e40b2708910749de1a6784ef46 [0,2,0,0,0,0|1,0,0]=3 8276 B12R1.477 CCC(C)OCCc1ccco1 e75be3de9ef3987343b1c3943396237d [0,2,0,0,0,0|0,1,0]=3 8277 B12R1.477 CCC(C)OCCc1cccs1 6a8a2b912c748ca0ed06755274f57c59 [0,2,0,0,0,0|0,0,0]=2 8278 B12R1.477 CCC(C)OCCc1ccon1 1f15455292c48d0331840681838a0c7f [0,2,0,0,0,0|2,0,0]=4 8279 B12R1.477 CCC(C)OCCc1ccsc1 8288ae478dd384bfedb4c0d5432c5f14 [0,2,0,0,0,0|2,0,0]=4 8280 B12R1.477 CCC(C)OCCc1cscn1 a082e3355efc09230ab502cd5e3c35d9 [0,2,0,0,0,0|2,0,0]=4 8281 B12R1.477 CCC(C)OCCc1ncc[nH]1 9975906009cb746f198a5452740d1fac [0,2,0,0,0,0|2,0,0]=4 8282 B12R1.477 CCC(C)OCCc1nccs1 bf36004d61108328163a37520fb2eaa3 [0,2,0,0,0,0|1,0,0]=3 8283 B12R1.477 CCC(C)OCCn1cccc1 e9240c4b154e302f8e24d6458502ecc9 [0,2,0,0,0,0|2,0,0]=4 8284 B12R1.477 CCC(C)OCCn1cccn1 a50ff7fa6fb8aa8c1bfc3d02c3bd6138 [0,2,0,0,0,0|2,0,0]=4 8285 B12R1.477 CCC(O)CNCc1cc[nH]c1 6511a8e9fbf0b73396a5255c884d5c41 [0,2,0,0,0,0|2,0,0]=4 8286 B12R1.477 CCC(O)CNCc1ccc[nH]1 9bc3ff6bfcf4fd95de64358bbaa702ef [0,2,0,0,0,0|1,0,0]=3 8287 B12R1.477 CCC(O)CNCc1ccco1 4bb492511ef683b6b7449f3d88a2cc32 [0,2,0,0,0,0|0,1,0]=3 8288 B12R1.477 CCC(O)CNCc1cccs1 d22ddc9ed4c005734b17c7ae5e47d225 [0,2,0,0,0,0|0,0,0]=2 8289 B12R1.477 CCC(O)CNCc1ccn[nH]1 5ff9aea830ddb734da99305be5f8a48f [0,2,0,0,0,0|2,0,0]=4 8290 B12R1.477 CCC(O)CNCc1ccno1 31616b075583e0428014bb0807a969b0 [0,2,0,0,0,0|1,1,0]=4 8291 B12R1.477 CCC(O)CNCc1ccns1 b85f3d3e3e9d56067b29be4ab17628c1 [0,2,0,0,0,0|1,0,0]=3 8292 B12R1.477 CCC(O)CNCc1ccoc1 d119ce260bc1583fb14c08a724d2c18b [0,2,0,0,0,0|2,0,0]=4 8293 B12R1.477 CCC(O)CNCc1ccon1 87c57f250a1246a6600322898790b0cb [0,2,0,0,0,0|2,0,0]=4 8294 B12R1.477 CCC(O)CNCc1ccsc1 4a57b894702eb396c61b9ed88d44a9cd [0,2,0,0,0,0|2,0,0]=4 8295 B12R1.477 CCC(O)CNCc1ccsn1 64cc5243cb3c6e862cd11f89b169affc [0,2,0,0,0,0|2,0,0]=4 8296 B12R1.477 CCC(O)CNCc1cnc[nH]1 437abb6f2a74a17b7b657eb8bf1b44d4 [0,2,0,0,0,0|2,0,0]=4 8297 B12R1.477 CCC(O)CNCc1cnco1 8c0f5c7bbba24469f78f81d942ba5dd1 [0,2,0,0,0,0|1,1,0]=4 8298 B12R1.477 CCC(O)CNCc1cocn1 44555b4ee7587365903ba68722c5940d [0,2,0,0,0,0|2,0,0]=4 8299 B12R1.477 CCC(O)CNCc1cscn1 d6992e718e9f5c7018ebde7233bf99dc [0,2,0,0,0,0|2,0,0]=4 8300 B12R1.477 CCC(O)CNCc1ncc[nH]1 aeeafc9b05e490f548d8ac34d062437d [0,2,0,0,0,0|2,0,0]=4 8301 B12R1.477 CCC(O)CNCc1ncco1 b2c0274694fe7d6163b5070058a5db0d [0,2,0,0,0,0|1,1,0]=4 8302 B12R1.477 CCC(O)CNCc1nccs1 00f37168a802b97b7411caf13bf768e3 [0,2,0,0,0,0|1,0,0]=3 8303 B12R1.477 CCN(C)CCCc1cccs1 89ebba153c38474b1b0ffc34f6b52417 [0,2,0,0,0,0|0,0,0]=2 8304 B12R1.477 CCN(C)CCCc1ccsc1 e9b9dd7f661f25d1a770226d668da047 [0,2,0,0,0,0|2,0,0]=4 8305 B12R1.477 CCN(C)CCCn1cccc1 29c8952be2a2998f63f278785fea77e3 [0,2,0,0,0,0|2,0,0]=4 8306 B12R1.477 CCN(C)CCCn1cccn1 7fe06c350ca859d063f97665b6e9c377 [0,2,0,0,0,0|2,0,0]=4 8307 B12R1.477 CCS(=O)CCNc1ccns1 1794e1af2491e778622b014a5340220b [0,2,0,0,0,0|2,0,0]=4 8308 B12R1.477 CCS(=O)CCNc1cncs1 b0fdd9306d9f6af93d69b882e4666614 [0,2,0,0,0,0|2,0,0]=4 8309 B12R1.477 CCS(=O)CCNc1nccs1 170cdc8f5f5ef7a176e7f27b41e1f9fb [0,2,0,0,0,0|2,0,0]=4 8310 B12R1.477 CCS(=O)CCOc1ccco1 e2a948ec5b367d785bf7bb0c11376c57 [0,2,0,0,0,0|1,1,0]=4 8311 B12R1.477 CCS(=O)CCOc1nccs1 27975ff16f3bc8b1a013a8c658510cb5 [0,2,0,0,0,0|2,0,0]=4 8312 B12R1.477 CC[C@@H](C)CNCc1cc[nH]c1 b4aae44180b6ee72a56f36ffe43e28dc [0,2,0,0,0,0|2,0,0]=4 8313 B12R1.477 CC[C@@H](C)CNCc1ccc[nH]1 9702f797225ccc1683357aadbe75f003 [0,2,0,0,0,0|1,0,0]=3 8314 B12R1.477 CC[C@@H](C)CNCc1ccco1 9e2585e2658f383111429dd6f01f0131 [0,2,0,0,0,0|0,1,0]=3 8315 B12R1.477 CC[C@@H](C)CNCc1cccs1 0ad196c4ab45879958625cc8342f316a [0,2,0,0,0,0|0,0,0]=2 8316 B12R1.477 CC[C@@H](C)CNCc1ccn[nH]1 ec6fbf3799df65ac18974ff41b8743dd [0,2,0,0,0,0|2,0,0]=4 8317 B12R1.477 CC[C@@H](C)CNCc1ccno1 f779a2fc5bc84bba3c6a6f43ced90a7f [0,2,0,0,0,0|1,1,0]=4 8318 B12R1.477 CC[C@@H](C)CNCc1ccns1 55ebef5586589d7a0effd1a1ce681646 [0,2,0,0,0,0|1,0,0]=3 8319 B12R1.477 CC[C@@H](C)CNCc1ccoc1 af6c70b2ad6c6040fbc4439cb0d373e1 [0,2,0,0,0,0|2,0,0]=4 8320 B12R1.477 CC[C@@H](C)CNCc1ccon1 aa73bf9fa3195a3add381ea99695d322 [0,2,0,0,0,0|2,0,0]=4 8321 B12R1.477 CC[C@@H](C)CNCc1ccsc1 e6d6a50fc47c084a824cf2222ff4dad9 [0,2,0,0,0,0|2,0,0]=4 8322 B12R1.477 CC[C@@H](C)CNCc1ccsn1 d5564978db4594038ab5797a381d538f [0,2,0,0,0,0|2,0,0]=4 8323 B12R1.477 CC[C@@H](C)CNCc1cnco1 60d243a019a6fce0a695957e7244efe1 [0,2,0,0,0,0|1,1,0]=4 8324 B12R1.477 CC[C@@H](C)CNCc1cncs1 f1de9867eb91060e2218d8c79e82643a [0,2,0,0,0,0|1,0,0]=3 8325 B12R1.477 CC[C@@H](C)CNCc1cocn1 abee7f6020f4fea1f6c5293706782149 [0,2,0,0,0,0|2,0,0]=4 8326 B12R1.477 CC[C@@H](C)CNCc1cscn1 454887ac22f145b1697acd0e5d3420d5 [0,2,0,0,0,0|2,0,0]=4 8327 B12R1.477 CC[C@@H](C)CNCc1ncc[nH]1 198f2a7e11a78ffb955eef9695f2d9a1 [0,2,0,0,0,0|2,0,0]=4 8328 B12R1.477 CC[C@@H](C)CNCc1ncco1 98eb564efb13cf376281e362ab3bf07e [0,2,0,0,0,0|1,1,0]=4 8329 B12R1.477 CC[C@@H](C)CNCc1nccs1 38eb85e9349ee75a980b781e5bb0ed7e [0,2,0,0,0,0|1,0,0]=3 8330 B12R1.477 CC[C@@H](C)COCc1cc[nH]c1 602c41041e76e893832ce669c253196c [0,2,0,0,0,0|2,0,0]=4 8331 B12R1.477 CC[C@@H](C)COCc1ccc[nH]1 9f4d1575a5f7b8e6230d2a9ac23f7db0 [0,2,0,0,0,0|1,0,0]=3 8332 B12R1.477 CC[C@@H](C)COCc1ccco1 2aee43d426a798ea5a59dcd82dcccceb [0,2,0,0,0,0|0,1,0]=3 8333 B12R1.477 CC[C@@H](C)COCc1cccs1 b41b386af9a856682fe3e935e5d5dc7f [0,2,0,0,0,0|0,0,0]=2 8334 B12R1.477 CC[C@@H](C)COCc1ccn[nH]1 8cd3190a545820a6ebb2941b0bc324cc [0,2,0,0,0,0|2,0,0]=4 8335 B12R1.477 CC[C@@H](C)COCc1ccno1 07fd2cc3b5ea60b217d3f91bcf1eae50 [0,2,0,0,0,0|1,1,0]=4 8336 B12R1.477 CC[C@@H](C)COCc1ccns1 7e53995176e6e90fd99eb67930885092 [0,2,0,0,0,0|1,0,0]=3 8337 B12R1.477 CC[C@@H](C)COCc1ccoc1 0638943b7a219a2d6f2883a5b0c7e8fb [0,2,0,0,0,0|2,0,0]=4 8338 B12R1.477 CC[C@@H](C)COCc1ccon1 b0ba42d7093e793aadba2fd9a4f317aa [0,2,0,0,0,0|2,0,0]=4 8339 B12R1.477 CC[C@@H](C)COCc1ccsc1 73b729364cdeae1ff0bf06ca400daca5 [0,2,0,0,0,0|2,0,0]=4 8340 B12R1.477 CC[C@@H](C)COCc1ccsn1 120e7208bcb829831d14a6e9bf73765c [0,2,0,0,0,0|2,0,0]=4 8341 B12R1.477 CC[C@@H](C)COCc1cnc[nH]1 fe99b796bed1d882fa876badd77f6e19 [0,2,0,0,0,0|2,0,0]=4 8342 B12R1.477 CC[C@@H](C)COCc1cnco1 c98e6cf83b8d03ead029519b0b98fb97 [0,2,0,0,0,0|1,1,0]=4 8343 B12R1.477 CC[C@@H](C)COCc1cncs1 113f904025a3b05b5b89940a2e553524 [0,2,0,0,0,0|1,0,0]=3 8344 B12R1.477 CC[C@@H](C)COCc1cocn1 25bc2b27b6369eb3a3333be98034f3df [0,2,0,0,0,0|2,0,0]=4 8345 B12R1.477 CC[C@@H](C)COCc1cscn1 0677b3eff0f1dbedb818e64770a92e18 [0,2,0,0,0,0|2,0,0]=4 8346 B12R1.477 CC[C@@H](C)COCc1ncc[nH]1 f1588e590773cdea5466513b765c941c [0,2,0,0,0,0|2,0,0]=4 8347 B12R1.477 CC[C@@H](C)COCc1ncco1 64c0e4e73b98ab5aaaed852b61b9e588 [0,2,0,0,0,0|1,1,0]=4 8348 B12R1.477 CC[C@@H](C)COCc1nccs1 6b5d792cbffebdbdf445db2d9b56622d [0,2,0,0,0,0|1,0,0]=3 8349 B12R1.477 CC[C@@H](C)COCc1ncns1 971fdcbfdadc66132edae880de37c870 [0,2,0,0,0,0|2,0,0]=4 8350 B12R1.477 CC[C@@H](C)COCn1cccn1 3fe4bb45320f25db542d18660c6bda1a [0,2,0,0,0,0|2,0,0]=4 8351 B12R1.477 CC[C@@H](C)NCCc1c[nH]cn1 5397ab1da447a9e1b5745b7bfa974e3b [0,2,0,0,0,0|2,0,0]=4 8352 B12R1.477 CC[C@@H](C)NCCc1cccs1 06d7cbd897c88f589c94a0eacf753343 [0,2,0,0,0,0|0,0,0]=2 8353 B12R1.477 CC[C@@H](C)NCCc1ccsc1 ea327f6419bef6f5958e5b797858244b [0,2,0,0,0,0|2,0,0]=4 8354 B12R1.477 CC[C@@H](C)NCCc1cscn1 3f19afc52e8364e97b9fd07491e05347 [0,2,0,0,0,0|2,0,0]=4 8355 B12R1.477 CC[C@@H](C)NCCn1cccc1 62ff8a2e6e744cbf45328d588610f634 [0,2,0,0,0,0|2,0,0]=4 8356 B12R1.477 CC[C@@H](C)NCCn1cccn1 65403d52387c54d8869dbf58e19872e6 [0,2,0,0,0,0|2,0,0]=4 8357 B12R1.477 CC[C@@H](C)OCCc1c[nH]cn1 e5cdb752990d6fbbfc6e1a59bb183377 [0,2,0,0,0,0|2,0,0]=4 8358 B12R1.477 CC[C@@H](C)OCCc1cccs1 87020da919b351367cdfe52b29b06694 [0,2,0,0,0,0|0,0,0]=2 8359 B12R1.477 CC[C@@H](C)OCCc1ccsc1 79ca9ccbc20113529ffd3e03f291b653 [0,2,0,0,0,0|2,0,0]=4 8360 B12R1.477 CC[C@@H](C)OCCc1cscn1 bad1c46fd1410a0bc24014d6ecf5f1ed [0,2,0,0,0,0|2,0,0]=4 8361 B12R1.477 CC[C@@H](C)OCCn1cccc1 d18328825745f2d4d42dac02c5adf425 [0,2,0,0,0,0|2,0,0]=4 8362 B12R1.477 CC[C@@H](C)OCCn1cccn1 0c10aff97aa19ab69d125a926090fbe6 [0,2,0,0,0,0|2,0,0]=4 8363 B12R1.477 CC[C@@H](O)CNCc1cccs1 ea0d74a0eab36a1971c233816a573f98 [0,2,0,0,0,0|0,0,0]=2 8364 B12R1.477 CC[C@@H](O)CNCc1ccno1 8078a0f8ba59f07fd5be99f66b457fb2 [0,2,0,0,0,0|1,1,0]=4 8365 B12R1.477 CC[C@@H](O)CNCc1ccon1 6bed89aa7f45247898175db8cf09c73f [0,2,0,0,0,0|2,0,0]=4 8366 B12R1.477 CC[C@@H](O)CNCc1ccsc1 0609e38b91c44766650de1e685e936a8 [0,2,0,0,0,0|2,0,0]=4 8367 B12R1.477 CC[C@@H](O)CNCc1cnc[nH]1 50a3a8be33cff4fda9a939158c4ba467 [0,2,0,0,0,0|2,0,0]=4 8368 B12R1.477 CC[C@@H](O)CNCc1cocn1 bec44b00bf1edbe6fa7b83fa5607e629 [0,2,0,0,0,0|2,0,0]=4 8369 B12R1.477 CC[C@@H](O)CNCc1cscn1 d9200bdc3524b9b07987ba1d10180295 [0,2,0,0,0,0|2,0,0]=4 8370 B12R1.477 CC[C@@H](O)CNCc1ncc[nH]1 9c2924d0bd4707ca472bebab951bed96 [0,2,0,0,0,0|2,0,0]=4 8371 B12R1.477 CC[C@@H](O)CNCc1ncco1 0c9787b9e2529bfd12b3c052557c36fb [0,2,0,0,0,0|1,1,0]=4 8372 B12R1.477 CC[C@@H](O)CNCc1nccs1 5c8e7366b8dafe78c908c5f113496f4c [0,2,0,0,0,0|1,0,0]=3 8373 B12R1.477 CC[C@H](C)CNCc1cc[nH]c1 9c6c0e44a2523bda1e700602754eada6 [0,2,0,0,0,0|2,0,0]=4 8374 B12R1.477 CC[C@H](C)CNCc1ccc[nH]1 6b14d35bf7760042f30d3a3af018c27f [0,2,0,0,0,0|1,0,0]=3 8375 B12R1.477 CC[C@H](C)CNCc1ccco1 774458db4ddaf8491f3dd2418b196cde [0,2,0,0,0,0|0,1,0]=3 8376 B12R1.477 CC[C@H](C)CNCc1cccs1 14bfafd4e2e3506a0240b76e2f11c143 [0,2,0,0,0,0|0,0,0]=2 8377 B12R1.477 CC[C@H](C)CNCc1ccn[nH]1 9a5dd2235baeffdd7d7fe690baed8323 [0,2,0,0,0,0|2,0,0]=4 8378 B12R1.477 CC[C@H](C)CNCc1ccno1 4d78180f30551c2b41c2b58213db784a [0,2,0,0,0,0|1,1,0]=4 8379 B12R1.477 CC[C@H](C)CNCc1ccns1 919fb9dc3a66a76b7af91998ed78208f [0,2,0,0,0,0|1,0,0]=3 8380 B12R1.477 CC[C@H](C)CNCc1ccoc1 ee12d4046eb8e2b2752539e0097e3afd [0,2,0,0,0,0|2,0,0]=4 8381 B12R1.477 CC[C@H](C)CNCc1ccon1 4f801da09fa060d9ed683e38c612bc8c [0,2,0,0,0,0|2,0,0]=4 8382 B12R1.477 CC[C@H](C)CNCc1ccsc1 781b36c002098c5af82c819faafd02e8 [0,2,0,0,0,0|2,0,0]=4 8383 B12R1.477 CC[C@H](C)CNCc1ccsn1 5598329f94a83c13cd837e5ae01d700c [0,2,0,0,0,0|2,0,0]=4 8384 B12R1.477 CC[C@H](C)CNCc1cnc[nH]1 0dad182f89b0acaed3a2dcf1578b1924 [0,2,0,0,0,0|2,0,0]=4 8385 B12R1.477 CC[C@H](C)CNCc1cnco1 6d2156cb1a11ec2016281cc61eb3dcec [0,2,0,0,0,0|1,1,0]=4 8386 B12R1.477 CC[C@H](C)CNCc1cncs1 18d47cbe41f4266f087aa60116885938 [0,2,0,0,0,0|1,0,0]=3 8387 B12R1.477 CC[C@H](C)CNCc1cocn1 834ff8f53ad542088f4dec3a722d07c3 [0,2,0,0,0,0|2,0,0]=4 8388 B12R1.477 CC[C@H](C)CNCc1cscn1 714305c08fd147753e1dc1c52fa70cc2 [0,2,0,0,0,0|2,0,0]=4 8389 B12R1.477 CC[C@H](C)CNCc1ncc[nH]1 bfbeccb7e0d99c6aa203939c59848728 [0,2,0,0,0,0|2,0,0]=4 8390 B12R1.477 CC[C@H](C)CNCc1ncco1 1b7e43ec6a8365abcb2de30200e42fa9 [0,2,0,0,0,0|1,1,0]=4 8391 B12R1.477 CC[C@H](C)CNCc1nccs1 314608668b139623c5b9f01b621a3616 [0,2,0,0,0,0|1,0,0]=3 8392 B12R1.477 CC[C@H](C)COCc1cc[nH]c1 3ecb67a4090e6c328b3b380bc7a2711a [0,2,0,0,0,0|2,0,0]=4 8393 B12R1.477 CC[C@H](C)COCc1ccc[nH]1 c0470db37bb0f5b56659ceb3850ac7de [0,2,0,0,0,0|1,0,0]=3 8394 B12R1.477 CC[C@H](C)COCc1ccco1 4c718f5f61fa49c8d72b38b16c9816ff [0,2,0,0,0,0|0,1,0]=3 8395 B12R1.477 CC[C@H](C)COCc1cccs1 d77e84f26697fa892e8c46a678b862b3 [0,2,0,0,0,0|0,0,0]=2 8396 B12R1.477 CC[C@H](C)COCc1ccn[nH]1 94db1a7d30a0a4bcf888c518ce91dac7 [0,2,0,0,0,0|2,0,0]=4 8397 B12R1.477 CC[C@H](C)COCc1ccno1 3ec17973259e8177cacd0a206163a64f [0,2,0,0,0,0|1,1,0]=4 8398 B12R1.477 CC[C@H](C)COCc1ccns1 03ef1fb6a1e6c887a26ef93b481898e4 [0,2,0,0,0,0|1,0,0]=3 8399 B12R1.477 CC[C@H](C)COCc1ccoc1 a31ce2b3ee5acf04cbfbc99e4468d042 [0,2,0,0,0,0|2,0,0]=4 8400 B12R1.477 CC[C@H](C)COCc1ccon1 26f56eaa880cb56756e7233673c40895 [0,2,0,0,0,0|2,0,0]=4 8401 B12R1.477 CC[C@H](C)COCc1ccsc1 190a77ecf21ccc5f38fe2465f0d145b1 [0,2,0,0,0,0|2,0,0]=4 8402 B12R1.477 CC[C@H](C)COCc1ccsn1 b9fedf410ad479f5f5ec9337dd75a6c8 [0,2,0,0,0,0|2,0,0]=4 8403 B12R1.477 CC[C@H](C)COCc1cnc[nH]1 9e0073f4b98896f760712ea91e5015d4 [0,2,0,0,0,0|2,0,0]=4 8404 B12R1.477 CC[C@H](C)COCc1cnco1 43b3a5dd208d44fc04641bd7b17752ef [0,2,0,0,0,0|1,1,0]=4 8405 B12R1.477 CC[C@H](C)COCc1cncs1 ecdb47f9b6d9cb4f5a760a131e347639 [0,2,0,0,0,0|1,0,0]=3 8406 B12R1.477 CC[C@H](C)COCc1cocn1 11c18b8b0848c3232f51280eb5afb1e7 [0,2,0,0,0,0|2,0,0]=4 8407 B12R1.477 CC[C@H](C)COCc1cscn1 88d791da0a566d6b313e479782049d06 [0,2,0,0,0,0|2,0,0]=4 8408 B12R1.477 CC[C@H](C)COCc1ncc[nH]1 b623d2d1fb334076039ec810ec99f143 [0,2,0,0,0,0|2,0,0]=4 8409 B12R1.477 CC[C@H](C)COCc1ncco1 3f3c9a0327d60587f4d9e55307e16c25 [0,2,0,0,0,0|1,1,0]=4 8410 B12R1.477 CC[C@H](C)COCc1nccs1 b50fb2fd45254a611b0f93926e04ed69 [0,2,0,0,0,0|1,0,0]=3 8411 B12R1.477 CC[C@H](C)COCc1ncns1 5c76b8fa9c22fcd09eab36a02a4685ea [0,2,0,0,0,0|2,0,0]=4 8412 B12R1.477 CC[C@H](C)COCn1cccn1 3c469bbfe78a5dea03f779593d2927e7 [0,2,0,0,0,0|2,0,0]=4 8413 B12R1.477 CC[C@H](C)NCCc1c[nH]cn1 9a3ee3b99cf79f7ef7da5c6492bc3652 [0,2,0,0,0,0|2,0,0]=4 8414 B12R1.477 CC[C@H](C)NCCc1cccs1 f2b1cb8654fb945ece69967add4bba75 [0,2,0,0,0,0|0,0,0]=2 8415 B12R1.477 CC[C@H](C)NCCc1ccsc1 7f2ea86b03917a457a890bb7209c6108 [0,2,0,0,0,0|2,0,0]=4 8416 B12R1.477 CC[C@H](C)NCCc1cscn1 cbc843a348d6fd47ef1485e6ad6e0407 [0,2,0,0,0,0|2,0,0]=4 8417 B12R1.477 CC[C@H](C)NCCn1cccc1 4e8e467c65db04bffae8b891b7d47046 [0,2,0,0,0,0|2,0,0]=4 8418 B12R1.477 CC[C@H](C)NCCn1cccn1 34fbd0343e0aa3a8b7862d7bf30ec392 [0,2,0,0,0,0|2,0,0]=4 8419 B12R1.477 CC[C@H](C)OCCc1c[nH]cn1 2770ea50f495ba0f02fc4fc63f7e66b9 [0,2,0,0,0,0|2,0,0]=4 8420 B12R1.477 CC[C@H](C)OCCc1cccs1 81d45653d7692301cc4f1b8e4750f325 [0,2,0,0,0,0|0,0,0]=2 8421 B12R1.477 CC[C@H](C)OCCc1ccsc1 454292366ffe7a17c5d0af480ee378ed [0,2,0,0,0,0|2,0,0]=4 8422 B12R1.477 CC[C@H](C)OCCc1cscn1 159cba27117a84c2ebfb86f4e6b6495e [0,2,0,0,0,0|2,0,0]=4 8423 B12R1.477 CC[C@H](C)OCCn1cccc1 b80fa997a39ccdaeb961f34da1df5bd6 [0,2,0,0,0,0|2,0,0]=4 8424 B12R1.477 CC[C@H](C)OCCn1cccn1 c3f8b9aff9e40e511d0f2a275d333ffc [0,2,0,0,0,0|2,0,0]=4 8425 B12R1.477 CN(C=O)CCCc1ccco1 72656ee95f6fa4e99768c1cc908e7579 [0,2,0,0,0,0|1,1,0]=4 8426 B12R1.477 CN(CF)CCCc1ccco1 6e9fcd7c0e702ca612c59fa18637b7d9 [0,2,0,0,0,0|1,1,0]=4 8427 B12R1.477 CN(CO)CCCc1ccco1 431839507e0dc6b8206e393c81112549 [0,2,0,0,0,0|1,1,0]=4 8428 B12R1.477 CNC(=O)CCNc1cccs1 262d9e3c87740f9b1c53d09115bff5ae [0,2,0,0,0,0|1,0,1]=4 8429 B12R1.477 CNC(=O)CCOc1cccs1 0d55e337d2d7cad9b4bea17161db3bc6 [0,2,0,0,0,0|1,0,1]=4 8430 B12R1.477 CNC(=O)CNCc1cccs1 00b6f444a892a191ed45d5b131bf6d54 [0,2,0,0,0,0|1,0,1]=4 8431 B12R1.477 CNC(=O)COCc1cccs1 47b2c280ca95ad9474be02d63bfeaec9 [0,2,0,0,0,0|1,0,1]=4 8432 B12R1.477 COC(=O)CCNc1cccs1 aaa9cfd402dcc2f0870ffeb2e27cdb33 [0,2,0,0,0,0|1,0,1]=4 8433 B12R1.477 COC(=O)CCOc1cccs1 664ac22ce41f5e45b386b1395c7eb518 [0,2,0,0,0,0|1,0,1]=4 8434 B12R1.477 COC(=O)CNCc1cccs1 01bbb1df4d37a3c8e183d57b1b059ae1 [0,2,0,0,0,0|1,0,1]=4 8435 B12R1.477 COC(=O)COCc1cccs1 7313aa22ef222247eb9faa1630bead64 [0,2,0,0,0,0|1,0,1]=4 8436 B12R1.477 COC(C)CNCc1ccc[nH]1 18ae30b4b53cfdcaa0cc2d59196a0e91 [0,2,0,0,0,0|2,0,0]=4 8437 B12R1.477 COC(C)CNCc1ccco1 4f5e18d8d5581faa70d591da4dd66eca [0,2,0,0,0,0|1,1,0]=4 8438 B12R1.477 COC(C)CNCc1cccs1 b96b48842650d2b2fa44b7a04b2bf140 [0,2,0,0,0,0|1,0,0]=3 8439 B12R1.477 COC(C)CNCc1ccns1 182b893577ebdb76af7e146401ccdfe8 [0,2,0,0,0,0|2,0,0]=4 8440 B12R1.477 COC(C)CNCc1cncs1 c77e2d96e23181aecd5d4048619332f4 [0,2,0,0,0,0|2,0,0]=4 8441 B12R1.477 COC(C)CNCc1nccs1 014bf0973b10b8cd73f1c90fa77bf39a [0,2,0,0,0,0|2,0,0]=4 8442 B12R1.477 COC(C)COCc1ccc[nH]1 2928af4b0ebf7a600760f97db2a524b7 [0,2,0,0,0,0|2,0,0]=4 8443 B12R1.477 COC(C)COCc1ccco1 12ba039dfb0a47b0e51cfc3e84956fe3 [0,2,0,0,0,0|1,1,0]=4 8444 B12R1.477 COC(C)COCc1cccs1 afb6370635b54f9b38ea36f54ea04586 [0,2,0,0,0,0|1,0,0]=3 8445 B12R1.477 COC(C)COCc1ccns1 62522e973495d89c30ed3e5c4e749f60 [0,2,0,0,0,0|2,0,0]=4 8446 B12R1.477 COC(C)COCc1cncs1 6e776cfb4737b7991e0e01bb59efcdef [0,2,0,0,0,0|2,0,0]=4 8447 B12R1.477 COC(C)COCc1nccs1 c1b92e643871ac032957bc6cbb342392 [0,2,0,0,0,0|2,0,0]=4 8448 B12R1.477 CO[C@@H](C)CNCc1ccc[nH]1 aae0aecac44c4368d5c58bb31f7b1c22 [0,2,0,0,0,0|2,0,0]=4 8449 B12R1.477 CO[C@@H](C)CNCc1ccco1 fef213d60dec5894f427af612a9da5dc [0,2,0,0,0,0|1,1,0]=4 8450 B12R1.477 CO[C@@H](C)CNCc1cccs1 3347f011e2da023882c268fe7aafbc25 [0,2,0,0,0,0|1,0,0]=3 8451 B12R1.477 CO[C@@H](C)CNCc1ccns1 b9796548cb783538d3f0100a2c938540 [0,2,0,0,0,0|2,0,0]=4 8452 B12R1.477 CO[C@@H](C)CNCc1cncs1 99fe594aaf81447c837dbde1a2227131 [0,2,0,0,0,0|2,0,0]=4 8453 B12R1.477 CO[C@@H](C)CNCc1nccs1 d1445a3e68a7aed93c8e2c94c50e5bd6 [0,2,0,0,0,0|2,0,0]=4 8454 B12R1.477 CO[C@@H](C)COCc1ccc[nH]1 cef8613f60cdbab5e87a3302ac5a3a51 [0,2,0,0,0,0|2,0,0]=4 8455 B12R1.477 CO[C@@H](C)COCc1ccco1 57ebb84002f865d1e33272e352f206fc [0,2,0,0,0,0|1,1,0]=4 8456 B12R1.477 CO[C@@H](C)COCc1cccs1 e6455705da1a55ef7f651d74b0d8a12a [0,2,0,0,0,0|1,0,0]=3 8457 B12R1.477 CO[C@@H](C)COCc1ccns1 cba38e9d96cfef24b6f502190e039a26 [0,2,0,0,0,0|2,0,0]=4 8458 B12R1.477 CO[C@@H](C)COCc1cncs1 88fa451cab01e1d241f0bb6841a2dee1 [0,2,0,0,0,0|2,0,0]=4 8459 B12R1.477 CO[C@@H](C)COCc1nccs1 cf7c0f820e7743d8dd9129fc16440309 [0,2,0,0,0,0|2,0,0]=4 8460 B12R1.477 CO[C@H](C)CNCc1ccc[nH]1 22cb6dc359be3275f0b57a8858ee237e [0,2,0,0,0,0|2,0,0]=4 8461 B12R1.477 CO[C@H](C)CNCc1ccco1 bf11b8a2f4c813544f7c4c3574276bc2 [0,2,0,0,0,0|1,1,0]=4 8462 B12R1.477 CO[C@H](C)CNCc1cccs1 879154c2d2509a6ba4de7ab6a804aab6 [0,2,0,0,0,0|1,0,0]=3 8463 B12R1.477 CO[C@H](C)CNCc1ccns1 6888cd09e4ba237128bab5c78736c762 [0,2,0,0,0,0|2,0,0]=4 8464 B12R1.477 CO[C@H](C)CNCc1cncs1 b5d3ae7d58cf4b42f2139dc5f271d1e3 [0,2,0,0,0,0|2,0,0]=4 8465 B12R1.477 CO[C@H](C)CNCc1nccs1 c4202d8f4fbdc9780c127da2ddf3f043 [0,2,0,0,0,0|2,0,0]=4 8466 B12R1.477 CO[C@H](C)COCc1ccc[nH]1 d06ce399e0ddd23a66736f151fb4fa1a [0,2,0,0,0,0|2,0,0]=4 8467 B12R1.477 CO[C@H](C)COCc1ccco1 6a824a2804be0a7ad7d3d9ee81f1055c [0,2,0,0,0,0|1,1,0]=4 8468 B12R1.477 CO[C@H](C)COCc1cccs1 8613efacc2f58e47666b603bea0ece93 [0,2,0,0,0,0|1,0,0]=3 8469 B12R1.477 CO[C@H](C)COCc1ccns1 b6c697ecc9369bad5fcfe892addfc02f [0,2,0,0,0,0|2,0,0]=4 8470 B12R1.477 CO[C@H](C)COCc1cncs1 c3876131bae4db69d132eea53ca039b1 [0,2,0,0,0,0|2,0,0]=4 8471 B12R1.477 CO[C@H](C)COCc1nccs1 4a0ed1f7776fb3456f57d08c629a8dca [0,2,0,0,0,0|2,0,0]=4 8472 B12R1.477 C[C@@H](CO)CCNc1ccco1 2169600a3140dd1d2da00895c3f087ec [0,2,0,0,0,0|1,1,0]=4 8473 B12R1.477 C[C@@H](CO)CCNc1cccs1 30fa4c68c8351a9948d68c823474780d [0,2,0,0,0,0|1,0,0]=3 8474 B12R1.477 C[C@@H](CO)CCNc1ccns1 ad119f4e477ae2a3c8fea5e1a3755964 [0,2,0,0,0,0|2,0,0]=4 8475 B12R1.477 C[C@@H](CO)CCNc1nccs1 1ff1ba1caaa44c9d63167561d6fcaddb [0,2,0,0,0,0|2,0,0]=4 8476 B12R1.477 C[C@@H](CO)CNCc1ccc[nH]1 e1ecf67a4ca0aebcd903ba0d25c00c57 [0,2,0,0,0,0|2,0,0]=4 8477 B12R1.477 C[C@@H](CO)CNCc1ccco1 9b6405247ee9ed3e31bc3e5ed9519c94 [0,2,0,0,0,0|1,1,0]=4 8478 B12R1.477 C[C@@H](CO)CNCc1cccs1 67c5ae20aed95cf3dc92d44bf198e3ad [0,2,0,0,0,0|1,0,0]=3 8479 B12R1.477 C[C@@H](CO)CNCc1ccns1 c8f2ae9e2be0c6ed628834b24d8ac752 [0,2,0,0,0,0|2,0,0]=4 8480 B12R1.477 C[C@@H](CO)CNCc1cncs1 9a6d33d58240a715f98d71d948bc5012 [0,2,0,0,0,0|2,0,0]=4 8481 B12R1.477 C[C@@H](CO)CNCc1nccs1 d9b575512c2b6a46f258b2f5dd5cb408 [0,2,0,0,0,0|2,0,0]=4 8482 B12R1.477 C[C@@H](CO)NCCc1ccc[nH]1 9af9b890f74bc0a087257fcfbbcce3cd [0,2,0,0,0,0|2,0,0]=4 8483 B12R1.477 C[C@@H](CO)NCCc1ccco1 010aeee146b50cdd3d0018c42561a2dd [0,2,0,0,0,0|1,1,0]=4 8484 B12R1.477 C[C@@H](CO)NCCc1cccs1 5ac4498a8db26ab4ba33ab60b25ca43a [0,2,0,0,0,0|1,0,0]=3 8485 B12R1.477 C[C@@H](CO)NCCc1nccs1 69e478ab0ad26c7ad51dd28df38d6093 [0,2,0,0,0,0|2,0,0]=4 8486 B12R1.477 C[C@H](C=O)NCCc1ccc[nH]1 37e1b485066d68bb972103b2d15a0d37 [0,2,0,0,0,0|2,0,0]=4 8487 B12R1.477 C[C@H](C=O)NCCc1ccco1 9a950faafafd4ac5cfe77991e35bd62b [0,2,0,0,0,0|1,1,0]=4 8488 B12R1.477 C[C@H](C=O)NCCc1cccs1 3aa6ffadd2bc1b70ea08f6dc8b49a26f [0,2,0,0,0,0|1,0,0]=3 8489 B12R1.477 C[C@H](C=O)NCCc1nccs1 e1ea5f2a7f6624e7db14b4f876ed3fc0 [0,2,0,0,0,0|2,0,0]=4 8490 B12R1.477 C[C@H](C=O)OCCc1ccc[nH]1 e79b69996d6d252ee209e41d854dcbd5 [0,2,0,0,0,0|2,0,0]=4 8491 B12R1.477 C[C@H](C=O)OCCc1ccco1 bf9fd42601f306211d69a6535e282ba0 [0,2,0,0,0,0|1,1,0]=4 8492 B12R1.477 C[C@H](C=O)OCCc1cccs1 08ac36471ede25a73727c6f71a5c936b [0,2,0,0,0,0|1,0,0]=3 8493 B12R1.477 C[C@H](C=O)OCCc1nccs1 c8d14ca72090629e55ac2d2915ff7bbb [0,2,0,0,0,0|2,0,0]=4 8494 B12R1.477 C[C@H](CO)CNCc1ccc[nH]1 19c984f725ee7257f26592580694c6a9 [0,2,0,0,0,0|2,0,0]=4 8495 B12R1.477 C[C@H](CO)CNCc1ccco1 6a859c2d5d942815da71b0c40fe1670f [0,2,0,0,0,0|1,1,0]=4 8496 B12R1.477 C[C@H](CO)CNCc1cccs1 4c1f4160caaed1e2ef1dc6f02dcb93d0 [0,2,0,0,0,0|1,0,0]=3 8497 B12R1.477 C[C@H](CO)CNCc1ccns1 01522458ff55533d08aecedf8bb7b6bb [0,2,0,0,0,0|2,0,0]=4 8498 B12R1.477 C[C@H](CO)CNCc1cncs1 8de9da9c91567126becfc6d1fc4c2586 [0,2,0,0,0,0|2,0,0]=4 8499 B12R1.477 C[C@H](CO)CNCc1nccs1 91d010351936b7f23f46f6f4af87cdfd [0,2,0,0,0,0|2,0,0]=4 8500 B12R1.477 C[C@H](CO)NCCc1ccc[nH]1 423ee5d171ec76e542aa9786620eab76 [0,2,0,0,0,0|2,0,0]=4 8501 B12R1.477 C[C@H](CO)NCCc1ccco1 0e3d2d66094103c2bbf8bc88f0ad2f96 [0,2,0,0,0,0|1,1,0]=4 8502 B12R1.477 C[C@H](CO)NCCc1cccs1 5b9eeae32f3379344f7cf7b324347897 [0,2,0,0,0,0|1,0,0]=3 8503 B12R1.477 C[C@H](CO)NCCc1nccs1 e6d5586622190c417ce56869138764e1 [0,2,0,0,0,0|2,0,0]=4 8504 B12R1.477 C[C@H](CS)OCCc1cccs1 bc5cabe7f3d9fd275d8c49c719fd9e77 [0,2,0,0,0,0|1,0,0]=3 8505 B12R1.477 ClCC(Cl)COCc1ccco1 4cb00c189332948c3f471aeeac59528c [0,2,0,0,0,0|1,1,0]=4 8506 B12R1.477 ClCC(Cl)COCc1cccs1 ff00d3348089f37b78be98a373b122f5 [0,2,0,0,0,0|1,0,0]=3 8507 B12R1.477 ClCC(Cl)COCc1nccs1 13e313b37c807f369d86d10494d39714 [0,2,0,0,0,0|2,0,0]=4 8508 B12R1.477 O=C(CF)NCCc1cccs1 8ad0a550d473de8f84056b481bfae7f4 [0,2,0,0,0,0|1,0,1]=4 8509 B12R1.477 O=C(CO)CNCc1cccs1 1999440da216a8c47c747f181d5094af [0,2,0,0,0,0|1,0,1]=4 8510 B12R1.477 O=C(CO)NCCc1cccs1 9f2e0da32d88862d93c942c60f2d338a [0,2,0,0,0,0|1,0,1]=4 8511 B12R1.477 O=C(CS)NCCc1cccs1 727fb833bd1797230419b932f1b67fc0 [0,2,0,0,0,0|1,0,1]=4 8512 B12R1.477 OC(CF)CNCc1ccc[nH]1 02f14f50e364cde909a9979a5aaf7b95 [0,2,0,0,0,0|2,0,0]=4 8513 B12R1.477 OC(CF)CNCc1ccco1 54898ce0ff212e792eb800e0ac20b4ca [0,2,0,0,0,0|1,1,0]=4 8514 B12R1.477 OC(CF)CNCc1cccs1 ebb882d70d54b1280a6d5addee98a23f [0,2,0,0,0,0|1,0,0]=3 8515 B12R1.477 OC(CF)CNCc1ccns1 759521bc859639c9dcfc7a2edae264b7 [0,2,0,0,0,0|2,0,0]=4 8516 B12R1.477 OC(CF)CNCc1cncs1 efce4b8bd228fab29f646dbf75024e4d [0,2,0,0,0,0|2,0,0]=4 8517 B12R1.477 OC(CF)CNCc1nccs1 bd323d853b57860008cf69592b7a652e [0,2,0,0,0,0|2,0,0]=4 8518 B12R1.477 OCC(F)CNCc1ccco1 4cd75ce72bd0f3393a0fbc384fb493b1 [0,2,0,0,0,0|1,1,0]=4 8519 B12R1.477 OCC(F)CNCc1cccs1 df8627234a57022deaf327b5d318d0cd [0,2,0,0,0,0|1,0,0]=3 8520 B12R1.477 OCC(F)CNCc1nccs1 fd410a4945dd13615ccd10d37afc4848 [0,2,0,0,0,0|2,0,0]=4 8521 B12R1.477 OCC(O)CCNc1ccco1 b8d367dff5d4384382df44afed020e96 [0,2,0,0,0,0|1,1,0]=4 8522 B12R1.477 OCC(O)CCNc1cccs1 d5216c466d96b4d244c8c9ab607b6c7a [0,2,0,0,0,0|1,0,0]=3 8523 B12R1.477 OCC(O)CCNc1ccns1 a670464c73fcae9fd93ce472b200ef6e [0,2,0,0,0,0|2,0,0]=4 8524 B12R1.477 OCC(O)CCNc1cncs1 1ce0fe9edccd99d54275252f10f47404 [0,2,0,0,0,0|2,0,0]=4 8525 B12R1.477 OCC(O)CCNc1nccs1 8ac7016edbfa7680f878c0af84be5781 [0,2,0,0,0,0|2,0,0]=4 8526 B12R1.477 OCC(O)CNCc1ccc[nH]1 40764aaf0b845e239fb1f528b3fd3941 [0,2,0,0,0,0|2,0,0]=4 8527 B12R1.477 OCC(O)CNCc1ccco1 0d6c95f53c6d5b8e27532a78c12b04fd [0,2,0,0,0,0|1,1,0]=4 8528 B12R1.477 OCC(O)CNCc1cccs1 a4a8fb927b4bff60e5335dca0ee515c3 [0,2,0,0,0,0|1,0,0]=3 8529 B12R1.477 OCC(O)CNCc1ccns1 ac618b06bacb4ec0e0ec9fe040047b46 [0,2,0,0,0,0|2,0,0]=4 8530 B12R1.477 OCC(O)CNCc1cncs1 73f83ae728f9345ebd9348f3ac51f498 [0,2,0,0,0,0|2,0,0]=4 8531 B12R1.477 OCC(O)CNCc1nccs1 ccbeba442c5be082dd70e6f1bb5a1143 [0,2,0,0,0,0|2,0,0]=4 8532 B12R1.477 OCC(O)COCc1ccc[nH]1 9cc75ace377865971169b47725b8935c [0,2,0,0,0,0|2,0,0]=4 8533 B12R1.477 OCC(O)COCc1ccco1 1f8a0a440267fabdc63fba6eae15bcf4 [0,2,0,0,0,0|1,1,0]=4 8534 B12R1.477 OCC(O)COCc1cccs1 16e4616ab7743d575bc727804c1356fb [0,2,0,0,0,0|1,0,0]=3 8535 B12R1.477 OCC(O)COCc1ccns1 07130f77a74bde3e5d9d7f894f5ccafc [0,2,0,0,0,0|2,0,0]=4 8536 B12R1.477 OCC(O)COCc1cncs1 4ab22f296f64c8b039eb05ddd0041e10 [0,2,0,0,0,0|2,0,0]=4 8537 B12R1.477 OCC(O)COCc1nccs1 eb390443cf3491c7a95627adcc922460 [0,2,0,0,0,0|2,0,0]=4 8538 B12R1.477 OC[C@@H](F)CNCc1ccco1 9aebfe022d9d0f59b86c955d50ecb224 [0,2,0,0,0,0|1,1,0]=4 8539 B12R1.477 OC[C@@H](F)CNCc1cccs1 c3db2b485bfb51cb381d7fa9df5a31f6 [0,2,0,0,0,0|1,0,0]=3 8540 B12R1.477 OC[C@@H](F)CNCc1nccs1 76e93bff75965af44288e040afff758c [0,2,0,0,0,0|2,0,0]=4 8541 B12R1.477 OC[C@@H](O)CNCc1ccc[nH]1 77c7331cf6dd0fdbdf54149a389004e6 [0,2,0,0,0,0|2,0,0]=4 8542 B12R1.477 OC[C@@H](O)CNCc1ccco1 c795d9bcb6192b2f8ca106170be3aa79 [0,2,0,0,0,0|1,1,0]=4 8543 B12R1.477 OC[C@@H](O)CNCc1cccs1 a747678cae707cc3b9e3f211490fa170 [0,2,0,0,0,0|1,0,0]=3 8544 B12R1.477 OC[C@@H](O)CNCc1ccns1 73bd5894765ea75d09dd8dced71ae07e [0,2,0,0,0,0|2,0,0]=4 8545 B12R1.477 OC[C@@H](O)CNCc1cncs1 9fe56d2d22fe85d387f28b753884abda [0,2,0,0,0,0|2,0,0]=4 8546 B12R1.477 OC[C@@H](O)CNCc1nccs1 941bc16311d63ee36f410b305036a5e7 [0,2,0,0,0,0|2,0,0]=4 8547 B12R1.477 OC[C@@H](O)COCc1ccc[nH]1 753791657d6a33ecefe15d9c577c80b3 [0,2,0,0,0,0|2,0,0]=4 8548 B12R1.477 OC[C@@H](O)COCc1ccco1 bf0a7dff329874ed6eb823666db28855 [0,2,0,0,0,0|1,1,0]=4 8549 B12R1.477 OC[C@@H](O)COCc1cccs1 8f8f27c0e9de1557f4bda213ad7fbeae [0,2,0,0,0,0|1,0,0]=3 8550 B12R1.477 OC[C@@H](O)COCc1ccns1 40061aa7d6c46d9a7e8a3394d27040c2 [0,2,0,0,0,0|2,0,0]=4 8551 B12R1.477 OC[C@@H](O)COCc1cncs1 6d5f889bd2b5678dda3e6952757be892 [0,2,0,0,0,0|2,0,0]=4 8552 B12R1.477 OC[C@@H](O)COCc1nccs1 2b52c7619db4243632f559c8942e594b [0,2,0,0,0,0|2,0,0]=4 8553 B12R1.477 OC[C@H](F)CNCc1ccco1 40e59f7a67b23580d71df16b0bc4a2c9 [0,2,0,0,0,0|1,1,0]=4 8554 B12R1.477 OC[C@H](F)CNCc1cccs1 3b66241f8ff56f23584cdddf083f77b1 [0,2,0,0,0,0|1,0,0]=3 8555 B12R1.477 OC[C@H](F)CNCc1nccs1 05572c0fb4560117aca5c70701cf7144 [0,2,0,0,0,0|2,0,0]=4 8556 B12R1.477 OC[C@H](O)CNCc1ccc[nH]1 2b2f2dd9b6c84348946ce01877a6484c [0,2,0,0,0,0|2,0,0]=4 8557 B12R1.477 OC[C@H](O)CNCc1ccco1 ff4b83fcacb4c9730c0b154cbf8d7cb2 [0,2,0,0,0,0|1,1,0]=4 8558 B12R1.477 OC[C@H](O)CNCc1cccs1 13da3960f42c9177438451caa81d1f05 [0,2,0,0,0,0|1,0,0]=3 8559 B12R1.477 OC[C@H](O)CNCc1ccns1 3e7e1a320482ed6efe9d40af33d57b6a [0,2,0,0,0,0|2,0,0]=4 8560 B12R1.477 OC[C@H](O)CNCc1cncs1 f401fa4d23a89d7b8f7ef43d4e0ecb30 [0,2,0,0,0,0|2,0,0]=4 8561 B12R1.477 OC[C@H](O)CNCc1nccs1 fd2ee6fca1ffda58b9449d1624d5cc0b [0,2,0,0,0,0|2,0,0]=4 8562 B12R1.477 OC[C@H](O)COCc1ccc[nH]1 b4eb6a8378f0ab647c3d91cce83d6ba3 [0,2,0,0,0,0|2,0,0]=4 8563 B12R1.477 OC[C@H](O)COCc1ccco1 4bc40b92917b1092c4c25a31f588db49 [0,2,0,0,0,0|1,1,0]=4 8564 B12R1.477 OC[C@H](O)COCc1cccs1 028cb4f55c10bbf2a3b320dfeb835fec [0,2,0,0,0,0|1,0,0]=3 8565 B12R1.477 OC[C@H](O)COCc1ccns1 6682597b238eb8c9816330bee87b63a3 [0,2,0,0,0,0|2,0,0]=4 8566 B12R1.477 OC[C@H](O)COCc1cncs1 64695565950620eb286d2b022753e697 [0,2,0,0,0,0|2,0,0]=4 8567 B12R1.477 OC[C@H](O)COCc1nccs1 e07ec6fe0a98812c88779aab98dd5e9d [0,2,0,0,0,0|2,0,0]=4 8568 B12R1.477 SCC(S)COCc1ccco1 dfc6a6f29be0269b361c176a03b3dc93 [0,2,0,0,0,0|1,1,0]=4 8569 B12R1.477 SCC(S)COCc1cccs1 da10cb5d7ba770890edbb7dc531fae50 [0,2,0,0,0,0|1,0,0]=3 8570 B12R1.477 SCC(S)COCc1nccs1 fd98577d232fb85b7654609d55c51585 [0,2,0,0,0,0|2,0,0]=4 8571 B12R1.15 CCC(=O)NC(C)c1cccs1 acbf5a91884b81a7ea759b341a07e49f [0,2,0,0,0,0|1,0,1]=4 8572 B12R1.15 CCC(=O)N[C@@H](C)c1cccs1 e4f53b61c63e64d714bfd9376bd068ed [0,2,0,0,0,0|1,0,1]=4 8573 B12R1.15 CCC(=O)N[C@H](C)c1cccs1 d4dcab01b4a97dff17f0bae3b4c474f8 [0,2,0,0,0,0|1,0,1]=4 8574 B12R1.15 CCC(C)CN(C)c1nccs1 dae413958256706ba9b66fb6e1626059 [0,2,0,0,0,0|2,0,0]=4 8575 B12R1.15 CCC(C)NC(=O)c1cccs1 94c0d5e815bee9ad8df0b19fb4ee9b3e [0,2,0,0,0,0|1,0,1]=4 8576 B12R1.15 CCC(C)NC(C)c1nccs1 9354d8ef306110f88676a82d27d57780 [0,2,0,0,0,0|2,0,0]=4 8577 B12R1.15 CCC(C)N[C@@H](C)c1nccs1 bf295ed3b27e2b90248af34d2f695e01 [0,2,0,0,0,0|2,0,0]=4 8578 B12R1.15 CCC(C)OC(C)c1ccco1 bc46d8fa8e7bd9309d8bcffd4ba74cc2 [0,2,0,0,0,0|1,1,0]=4 8579 B12R1.15 CCC(C)OC(C)c1cccs1 e3cf41290dcf1a2dae95f5330c126829 [0,2,0,0,0,0|1,0,0]=3 8580 B12R1.15 CCC(C)OC(C)c1cncs1 2c91e3da37bc635c9c94a57beeaec632 [0,2,0,0,0,0|2,0,0]=4 8581 B12R1.15 CCC(C)OC(C)c1nccs1 469d8c0d1784b84c22bf01d5bbb7cef9 [0,2,0,0,0,0|2,0,0]=4 8582 B12R1.15 CCC(C)O[C@@H](C)c1cccs1 1ced5e8c44169becf913fa86390e1950 [0,2,0,0,0,0|1,0,0]=3 8583 B12R1.15 CCC(C)O[C@@H](C)c1nccs1 b295df050c51b5bf98d2f74ed3ba61fe [0,2,0,0,0,0|2,0,0]=4 8584 B12R1.15 CCC(C)O[C@H](C)c1ccco1 46d85a570e95008000e90cd65e40bc2e [0,2,0,0,0,0|1,1,0]=4 8585 B12R1.15 CCC(C)O[C@H](C)c1cccs1 df5f6e728cbffe807acb3c89fd2ca255 [0,2,0,0,0,0|1,0,0]=3 8586 B12R1.15 CCC(C)O[C@H](C)c1nccs1 0de0b7032dd7587c634e94b9382fafec [0,2,0,0,0,0|2,0,0]=4 8587 B12R1.15 CCC(O)CN(C)c1ccns1 f81da4098f466a8089020a6f067d431b [0,2,0,0,0,0|2,0,0]=4 8588 B12R1.15 CCC(O)CN(C)c1nccs1 d6d1218dcc1018d2184d7ae999c99b9d [0,2,0,0,0,0|2,0,0]=4 8589 B12R1.15 CCN(C)CC(=O)c1cccs1 59fa2fceece6e869d9632d0cc65b7c6d [0,2,0,0,0,0|1,0,1]=4 8590 B12R1.15 CC[C@@H](C)CN(C)c1nccs1 0f89a1d64f4564c9ea2530ee5775152a [0,2,0,0,0,0|2,0,0]=4 8591 B12R1.15 CC[C@@H](C)NC(=O)c1cccs1 b921176b2c0e80cc582387347d3922a0 [0,2,0,0,0,0|1,0,1]=4 8592 B12R1.15 CC[C@H](C)CN(C)c1nccs1 153992067462b80868defd2759edfd69 [0,2,0,0,0,0|2,0,0]=4 8593 B12R1.15 CC[C@H](C)NC(=O)c1cccs1 40ec2d6ba72a6bb80db91849f9e251de [0,2,0,0,0,0|1,0,1]=4 8594 B12R1.26 C=C(CC)CNc1ccc(s1)C c248249c7ab02482f915a8f5ee1db122 [0,2,0,0,0,0|1,0,1]=4 8595 B12R1.26 C=C(CC)COc1cc(cs1)C a63b4399f2763cbcb47ad4acf91a7296 [0,2,0,0,0,0|1,0,1]=4 8596 B12R1.26 CC(CF)OCc1cc(cs1)Br 2f2413c5be00bda6742397d98fb33220 [0,2,0,0,0,0|2,0,0]=4 8597 B12R1.26 CC(CF)OCc1ccc(s1)Br 912011028585433e75f5c3aece987875 [0,2,0,0,0,0|2,0,0]=4 8598 B12R1.26 CC(CF)OCc1ccc(s1)Cl 289bf0994ecd913ce57d1bb30a39801d [0,2,0,0,0,0|2,0,0]=4 8599 B12R1.26 CC(CO)CNc1ccc(s1)Br 1c2f6fe50ff88f88cb396f4278a17654 [0,2,0,0,0,0|2,0,0]=4 8600 B12R1.26 CC(CO)CNc1ccc(s1)F dc841ad4c334dbd7565d157a13662eb2 [0,2,0,0,0,0|2,0,0]=4 8601 B12R1.26 CC(CO)NCc1cc(cs1)Br 194c2d1bb6dc907b0f7d5fa7b3e0aefe [0,2,0,0,0,0|2,0,0]=4 8602 B12R1.26 CC(CO)NCc1ccc(s1)Br e74b4d128dc35e16fce179116a5ee599 [0,2,0,0,0,0|2,0,0]=4 8603 B12R1.26 CC(CO)NCc1ccc(s1)Cl 8c6a72c72615818c3d7b1ba4e5e6175b [0,2,0,0,0,0|2,0,0]=4 8604 B12R1.26 CC(CO)NCc1ccc(s1)F a81762671866dfb53157921ce869a526 [0,2,0,0,0,0|2,0,0]=4 8605 B12R1.26 CC(CS)OCc1cc(cs1)Br 71845d812556443d2fce298367cb1222 [0,2,0,0,0,0|2,0,0]=4 8606 B12R1.26 CC(CS)OCc1ccc(s1)Br 456aa28e8bc85aed95b50d512fb42fbc [0,2,0,0,0,0|2,0,0]=4 8607 B12R1.26 CC(CS)OCc1ccc(s1)Cl 682ac811a9a2d675b58e8f10c40fdddb [0,2,0,0,0,0|2,0,0]=4 8608 B12R1.26 CCC(=O)CNc1ccc(s1)Br 80c5f41b1c8406616af578f4ae852900 [0,2,0,0,0,0|1,0,1]=4 8609 B12R1.26 CCC(=O)CNc1ccc(s1)C c4d699f32357080a974bab3dd82bc775 [0,2,0,0,0,0|1,0,1]=4 8610 B12R1.26 CCC(=O)COc1cc(cs1)C 3db8f3cbdcf2e1bc6308ab4a0be9a2fd [0,2,0,0,0,0|1,0,1]=4 8611 B12R1.26 CCC(=O)COc1ccc(s1)Br 9783fc2787ead93bc0a7ecad7401e8b7 [0,2,0,0,0,0|1,0,1]=4 8612 B12R1.26 CCC(=O)NCc1cc(cs1)Br 4b37529e1e72d711b3eb04f8aa376baf [0,2,0,0,0,0|1,0,1]=4 8613 B12R1.26 CCC(=O)NCc1cc(cs1)C b0ba41c41d035dc2a9f10458e271ae84 [0,2,0,0,0,0|1,0,1]=4 8614 B12R1.26 CCC(=O)NCc1cc(cs1)Cl b837e29746acbb6a84b9736ed5514368 [0,2,0,0,0,0|1,0,1]=4 8615 B12R1.26 CCC(=O)NCc1ccc(s1)Br 00964838866b30b81011064c10df882b [0,2,0,0,0,0|1,0,1]=4 8616 B12R1.26 CCC(=O)NCc1ccc(s1)C fa387cc0a6e5c8f74aa871d6004ab469 [0,2,0,0,0,0|1,0,1]=4 8617 B12R1.26 CCC(=O)NCc1ccc(s1)Cl 443219c1b7ba239f5653246011c7bfd5 [0,2,0,0,0,0|1,0,1]=4 8618 B12R1.26 CCC(=O)NCc1ccc(s1)F d4227032c7d2c3217b0f9f11398ac998 [0,2,0,0,0,0|1,0,1]=4 8619 B12R1.26 CCC(C)CNc1cc(ns1)C 55dfcaa1375973134aa558f4b12e78c5 [0,2,0,0,0,0|2,0,0]=4 8620 B12R1.26 CCC(C)CNc1ccc(o1)C 4049f5c298c43fa4efe8cad331fcc1c9 [0,2,0,0,0,0|1,1,0]=4 8621 B12R1.26 CCC(C)CNc1ccc(s1)Br 4657418e6215a65261a66f09c9bdf4dc [0,2,0,0,0,0|1,0,0]=3 8622 B12R1.26 CCC(C)CNc1ccc(s1)C 626274352f8249a8ddbb02425f5b64d1 [0,2,0,0,0,0|1,0,0]=3 8623 B12R1.26 CCC(C)CNc1ccc(s1)F 9fa6fe5c7b654747169b711dabfdbde9 [0,2,0,0,0,0|1,0,0]=3 8624 B12R1.26 CCC(C)CNc1cnc(s1)Br 3a61cae61289a0790b415c4f318dba73 [0,2,0,0,0,0|2,0,0]=4 8625 B12R1.26 CCC(C)CNc1cnc(s1)C befc28fd7ed4c5d264d4a23f288336ce [0,2,0,0,0,0|2,0,0]=4 8626 B12R1.26 CCC(C)CNc1cnc(s1)N a9c913dad926592ff605486e657623d7 [0,2,0,0,0,0|2,0,0]=4 8627 B12R1.26 CCC(C)CNc1cnc(s1)S d9f4fa558cba2895acb1ab2db8ab96e1 [0,2,0,0,0,0|2,0,0]=4 8628 B12R1.26 CCC(C)CNc1nc(cs1)Br 971f5c3c9ae4d26eacb765a464dd0939 [0,2,0,0,0,0|2,0,0]=4 8629 B12R1.26 CCC(C)CNc1nc(cs1)C 9a4b3381cb535c3c24d513604e39a385 [0,2,0,0,0,0|2,0,0]=4 8630 B12R1.26 CCC(C)CNc1nc(cs1)Cl d572d8fd23e95c8d74426b4d496259bd [0,2,0,0,0,0|2,0,0]=4 8631 B12R1.26 CCC(C)CNc1ncc(s1)Br 0be6bf67b94046155bac81cba7fdb48e [0,2,0,0,0,0|2,0,0]=4 8632 B12R1.26 CCC(C)CNc1ncc(s1)C 2417e3441c242f8e6fc9fd570b99321b [0,2,0,0,0,0|2,0,0]=4 8633 B12R1.26 CCC(C)CNc1ncc(s1)Cl fe9915af476798c46585d87f92f42d79 [0,2,0,0,0,0|2,0,0]=4 8634 B12R1.26 CCC(C)CNc1ncc(s1)F 6ee13ac9946fe334072dd5a3dab7aee8 [0,2,0,0,0,0|2,0,0]=4 8635 B12R1.26 CCC(C)COc1cc(cs1)C 74364677c4b7935b2039b56c78227b43 [0,2,0,0,0,0|1,0,0]=3 8636 B12R1.26 CCC(C)COc1ccc(s1)Br 48f03e6efd836774d37ca2c122309991 [0,2,0,0,0,0|1,0,0]=3 8637 B12R1.26 CCC(C)COc1nc(cs1)Br a301150eb79c60123e4dcdd69af1a260 [0,2,0,0,0,0|2,0,0]=4 8638 B12R1.26 CCC(C)NCc1cc(c[nH]1)Br e04c90a3e4ce0b9524ad4cf4f712151a [0,2,0,0,0,0|2,0,0]=4 8639 B12R1.26 CCC(C)NCc1cc(co1)C f86d49a2f83355d808e939af0b14602c [0,2,0,0,0,0|1,1,0]=4 8640 B12R1.26 CCC(C)NCc1cc(cs1)Br ceab5027d8dcc599a6c20933d51e427e [0,2,0,0,0,0|1,0,0]=3 8641 B12R1.26 CCC(C)NCc1ccc(o1)Br 6064f3b1d6f2a6a217e16c35b7d8eba7 [0,2,0,0,0,0|1,1,0]=4 8642 B12R1.26 CCC(C)NCc1ccc(o1)C 9fafcdbfbf7524ba1e011fc3df6e73ec [0,2,0,0,0,0|1,1,0]=4 8643 B12R1.26 CCC(C)NCc1ccc(s1)Br 8f62feec08dc1c8f29872f71ffff881b [0,2,0,0,0,0|1,0,0]=3 8644 B12R1.26 CCC(C)NCc1ccc(s1)C 21f34d9241a297787e4a5ce9ab40d968 [0,2,0,0,0,0|1,0,0]=3 8645 B12R1.26 CCC(C)NCc1ccc(s1)Cl 81ace7164533d69dfab3a1f3d831cd44 [0,2,0,0,0,0|1,0,0]=3 8646 B12R1.26 CCC(C)NCc1ccc(s1)F c1cba8c20bc24e382cddaa272483284b [0,2,0,0,0,0|1,0,0]=3 8647 B12R1.26 CCC(C)NCc1cnc(s1)Br 37b435983b6d028179aa56713d4b93d2 [0,2,0,0,0,0|2,0,0]=4 8648 B12R1.26 CCC(C)NCc1cnc(s1)C 45b2b78209185390c1a683176920d7c7 [0,2,0,0,0,0|2,0,0]=4 8649 B12R1.26 CCC(C)NCc1cnc(s1)Cl 4b454ebdf75d7c4ce55d7641f398e211 [0,2,0,0,0,0|2,0,0]=4 8650 B12R1.26 CCC(C)NCc1nc(cs1)Br 15de567dae45605e8a3a12af41261143 [0,2,0,0,0,0|2,0,0]=4 8651 B12R1.26 CCC(C)NCc1nc(cs1)C aba1d5c3f3757358a9441c09f6090b37 [0,2,0,0,0,0|2,0,0]=4 8652 B12R1.26 CCC(C)NCc1nc(cs1)Cl 07e0130b023755329c08e4c00682ab2d [0,2,0,0,0,0|2,0,0]=4 8653 B12R1.26 CCC(C)NCc1ncc(s1)Br 1f7c6acd526a5271799dd2099e1fe501 [0,2,0,0,0,0|2,0,0]=4 8654 B12R1.26 CCC(C)NCc1ncc(s1)C f7295c057d875885f9c0274835be2536 [0,2,0,0,0,0|2,0,0]=4 8655 B12R1.26 CCC(C)NCc1ncc(s1)Cl 1e347e5f2a31a134398f48162982f71d [0,2,0,0,0,0|2,0,0]=4 8656 B12R1.26 CCC(C)OCc1cc(co1)Br 6cc89520b3a430930e007c2dc2427f3a [0,2,0,0,0,0|1,1,0]=4 8657 B12R1.26 CCC(C)OCc1cc(cs1)Br ca6a9cd07349d44f2899a42bc3bf5317 [0,2,0,0,0,0|1,0,0]=3 8658 B12R1.26 CCC(C)OCc1cc(cs1)C e411dec4abe5fd1f64ba230018b8e3d1 [0,2,0,0,0,0|1,0,0]=3 8659 B12R1.26 CCC(C)OCc1ccc(o1)Br 9879f5d8ff6bb777cc850846ac395ed5 [0,2,0,0,0,0|1,1,0]=4 8660 B12R1.26 CCC(C)OCc1ccc(o1)C 8eaab44117391c9a164b56950ffdbfa0 [0,2,0,0,0,0|1,1,0]=4 8661 B12R1.26 CCC(C)OCc1ccc(s1)Br c1bd456a64d052ba111ffb333dabf9c7 [0,2,0,0,0,0|1,0,0]=3 8662 B12R1.26 CCC(C)OCc1ccc(s1)C b7e8ec08bab4962df96eba0f48ddbbbf [0,2,0,0,0,0|1,0,0]=3 8663 B12R1.26 CCC(C)OCc1ccc(s1)Cl 547cb969b800731e8c64f4f5dfe4124f [0,2,0,0,0,0|1,0,0]=3 8664 B12R1.26 CCC(C)OCc1cnc(s1)Br 345d039f15f272b705163c3c998737f7 [0,2,0,0,0,0|2,0,0]=4 8665 B12R1.26 CCC(C)OCc1cnc(s1)C 606959df8813c9781bff69d9d71a9bdc [0,2,0,0,0,0|2,0,0]=4 8666 B12R1.26 CCC(C)OCc1cnc(s1)Cl dc68fdc306e3665c3475f2575ff07768 [0,2,0,0,0,0|2,0,0]=4 8667 B12R1.26 CCC(C)OCc1nc(cs1)Br 2f087402661d4a20d565a89eaea55227 [0,2,0,0,0,0|2,0,0]=4 8668 B12R1.26 CCC(C)OCc1nc(cs1)C 0d9558df7548ce4deeb647e39d42c78f [0,2,0,0,0,0|2,0,0]=4 8669 B12R1.26 CCC(C)OCc1ncc(s1)Br 215e5e729e3905382e6f2bf1a01cf27a [0,2,0,0,0,0|2,0,0]=4 8670 B12R1.26 CCC(C)OCc1ncc(s1)C b1d0873755d8c9b8711ad4135d6abe7e [0,2,0,0,0,0|2,0,0]=4 8671 B12R1.26 CCC(C)OCc1ncc(s1)Cl 85ba30ab7f97c6b9c6d4d53ad40e7f96 [0,2,0,0,0,0|2,0,0]=4 8672 B12R1.26 CCC(O)CNc1cc(ns1)C 356d0bc9d04aa62d9e58b6c60e039dd7 [0,2,0,0,0,0|2,0,0]=4 8673 B12R1.26 CCC(O)CNc1ccc(o1)C 90f756f1484640df41a48c591416fe5e [0,2,0,0,0,0|1,1,0]=4 8674 B12R1.26 CCC(O)CNc1ccc(s1)Br 90608ac41ac56a41fc892703a7c34bb6 [0,2,0,0,0,0|1,0,0]=3 8675 B12R1.26 CCC(O)CNc1ccc(s1)C 87ff001f4aa173e105143521edb916af [0,2,0,0,0,0|1,0,0]=3 8676 B12R1.26 CCC(O)CNc1ccc(s1)F f5c60d98f6280681e4fa29fd392b5c78 [0,2,0,0,0,0|1,0,0]=3 8677 B12R1.26 CCC(O)CNc1cnc(s1)Br 5102a70f81bf3a9283a9947bbe283c32 [0,2,0,0,0,0|2,0,0]=4 8678 B12R1.26 CCC(O)CNc1cnc(s1)C c3e951207de9277d4da2ced9c5a264cb [0,2,0,0,0,0|2,0,0]=4 8679 B12R1.26 CCC(O)CNc1cnc(s1)N e72365f13fcbf6080e87dad6f2be93cb [0,2,0,0,0,0|2,0,0]=4 8680 B12R1.26 CCC(O)CNc1cnc(s1)S 33c68062f963b33f761d7ca2935979c8 [0,2,0,0,0,0|2,0,0]=4 8681 B12R1.26 CCC(O)CNc1nc(cs1)Br cc6c119926486d52329448df5584c1c8 [0,2,0,0,0,0|2,0,0]=4 8682 B12R1.26 CCC(O)CNc1nc(cs1)C f864e1b5afc1cc39fc3f702db56becef [0,2,0,0,0,0|2,0,0]=4 8683 B12R1.26 CCC(O)CNc1nc(cs1)Cl 87a4af3f3b53e323cedec7d97572e344 [0,2,0,0,0,0|2,0,0]=4 8684 B12R1.26 CC[C@@H](C)CNc1cc(ns1)C 80d6e3be87a14010676ec4498fa8dddb [0,2,0,0,0,0|2,0,0]=4 8685 B12R1.26 CC[C@@H](C)CNc1ccc(s1)Br 4d310d0929ba023f7b6dc12836553018 [0,2,0,0,0,0|1,0,0]=3 8686 B12R1.26 CC[C@@H](C)CNc1ccc(s1)C faa7e3fd6b743b4b4159453c32b86226 [0,2,0,0,0,0|1,0,0]=3 8687 B12R1.26 CC[C@@H](C)CNc1cnc(s1)Br bef626e316c44108752cfabd4cbcb005 [0,2,0,0,0,0|2,0,0]=4 8688 B12R1.26 CC[C@@H](C)CNc1cnc(s1)C ff4c727f2f73aa7a386fa5604538afe1 [0,2,0,0,0,0|2,0,0]=4 8689 B12R1.26 CC[C@@H](C)CNc1cnc(s1)S 82c144c7cc1f98b008facf598ac37d4b [0,2,0,0,0,0|2,0,0]=4 8690 B12R1.26 CC[C@@H](C)CNc1nc(cs1)Br e3903e990c29b2789c5670ae474df9c7 [0,2,0,0,0,0|2,0,0]=4 8691 B12R1.26 CC[C@@H](C)CNc1nc(cs1)C 88b624465fcb657e8b5d813da3daec42 [0,2,0,0,0,0|2,0,0]=4 8692 B12R1.26 CC[C@@H](C)CNc1nc(cs1)Cl d622cc0c0f2feed1d4eb0c45c3325d65 [0,2,0,0,0,0|2,0,0]=4 8693 B12R1.26 CC[C@@H](C)CNc1ncc(s1)Br d0dc4b7afa7b15e5eba1b90f0827200c [0,2,0,0,0,0|2,0,0]=4 8694 B12R1.26 CC[C@@H](C)CNc1ncc(s1)C 4a83854dafdbed4543fcd980f16529bd [0,2,0,0,0,0|2,0,0]=4 8695 B12R1.26 CC[C@@H](C)CNc1ncc(s1)Cl 4a5a78f5ab12de2e2a2438e7ee7d4dd8 [0,2,0,0,0,0|2,0,0]=4 8696 B12R1.26 CC[C@@H](C)CNc1ncc(s1)F 4729c57c85a7b38c4610c7d2e6f4fb11 [0,2,0,0,0,0|2,0,0]=4 8697 B12R1.26 CC[C@@H](C)COc1cc(cs1)C dc548964941cddc237f9c273543afca5 [0,2,0,0,0,0|1,0,0]=3 8698 B12R1.26 CC[C@@H](C)COc1nc(cs1)Br c2c45d8fa95db2b7e386e0281895345e [0,2,0,0,0,0|2,0,0]=4 8699 B12R1.26 CC[C@@H](C)NCc1cc(cs1)Br e16b114f5597611f574716cc3dd6d47e [0,2,0,0,0,0|1,0,0]=3 8700 B12R1.26 CC[C@@H](C)NCc1ccc(s1)Br 2cca288f4c2bf4eed5aa88491e6be209 [0,2,0,0,0,0|1,0,0]=3 8701 B12R1.26 CC[C@@H](C)NCc1ccc(s1)Cl 9e90b6a5100dc925c2f4286c7ce4ef85 [0,2,0,0,0,0|1,0,0]=3 8702 B12R1.26 CC[C@@H](C)NCc1cnc(s1)Br 43e555f8e956c6155014833ccd2d54f2 [0,2,0,0,0,0|2,0,0]=4 8703 B12R1.26 CC[C@@H](C)NCc1cnc(s1)C 8922a4b9385be415f0aea7ed5aba3adb [0,2,0,0,0,0|2,0,0]=4 8704 B12R1.26 CC[C@@H](C)NCc1cnc(s1)Cl 1145ec1f56e04960d1a71d6acf5e7226 [0,2,0,0,0,0|2,0,0]=4 8705 B12R1.26 CC[C@@H](C)NCc1nc(cs1)Br 77a881590a468db139f3cfc167068927 [0,2,0,0,0,0|2,0,0]=4 8706 B12R1.26 CC[C@@H](C)NCc1nc(cs1)C 6a61bc1569d58a30d780bf7ef0659ea5 [0,2,0,0,0,0|2,0,0]=4 8707 B12R1.26 CC[C@@H](C)NCc1ncc(s1)Br b5ce492fa5a7a36d734bfd3bd238fd84 [0,2,0,0,0,0|2,0,0]=4 8708 B12R1.26 CC[C@@H](C)NCc1ncc(s1)Cl 6c013448135edefe24c5b6ee6eca5b22 [0,2,0,0,0,0|2,0,0]=4 8709 B12R1.26 CC[C@@H](C)OCc1cc(cs1)Br 2527c9269a9e4e7d3beb09d328763503 [0,2,0,0,0,0|1,0,0]=3 8710 B12R1.26 CC[C@@H](C)OCc1ccc(s1)Br 55d44679880ad84ebaf2842f2022f5fa [0,2,0,0,0,0|1,0,0]=3 8711 B12R1.26 CC[C@@H](C)OCc1ccc(s1)Cl 0de99842d3c5f5fa38951a7d452fccb5 [0,2,0,0,0,0|1,0,0]=3 8712 B12R1.26 CC[C@@H](C)OCc1cnc(s1)Br 283ac04106007e094958090a6848478c [0,2,0,0,0,0|2,0,0]=4 8713 B12R1.26 CC[C@@H](C)OCc1cnc(s1)C 4c606fc3c42357c0332893c8d56f2ac0 [0,2,0,0,0,0|2,0,0]=4 8714 B12R1.26 CC[C@@H](C)OCc1cnc(s1)Cl ab0b23d113f03ca0269e8f4bd6085ad5 [0,2,0,0,0,0|2,0,0]=4 8715 B12R1.26 CC[C@@H](C)OCc1nc(cs1)Br 1281239f0d8e5f06434afdaef619aa61 [0,2,0,0,0,0|2,0,0]=4 8716 B12R1.26 CC[C@@H](C)OCc1nc(cs1)C 49d682eddcc6e959ca216c1147b9b686 [0,2,0,0,0,0|2,0,0]=4 8717 B12R1.26 CC[C@@H](C)OCc1ncc(s1)Br 609f1b0e9ccdd0ea99ea3592b8a53276 [0,2,0,0,0,0|2,0,0]=4 8718 B12R1.26 CC[C@@H](C)OCc1ncc(s1)Cl 74549bca2355108d7b9dc01f7ac180d5 [0,2,0,0,0,0|2,0,0]=4 8719 B12R1.26 CC[C@@H](O)CNc1ccc(o1)C bdce81d80486330b59d14c5e669d0f18 [0,2,0,0,0,0|1,1,0]=4 8720 B12R1.26 CC[C@@H](O)CNc1ccc(s1)C 3bab2243d5180c9464943a40ec35cd59 [0,2,0,0,0,0|1,0,0]=3 8721 B12R1.26 CC[C@@H](O)CNc1ccc(s1)F 8e6be032c1af48f1f1171b2e8721338a [0,2,0,0,0,0|1,0,0]=3 8722 B12R1.26 CC[C@@H](O)CNc1cnc(s1)C c0d3aa99ec7a9ed859e4f1a27177cd4d [0,2,0,0,0,0|2,0,0]=4 8723 B12R1.26 CC[C@@H](O)CNc1cnc(s1)N ac528a6142453ea5d7e6f421d88ecccb [0,2,0,0,0,0|2,0,0]=4 8724 B12R1.26 CC[C@H](C)CNc1cc(ns1)C e85771ac2bdf81ca874c9a2f6140feee [0,2,0,0,0,0|2,0,0]=4 8725 B12R1.26 CC[C@H](C)CNc1ccc(o1)C bc48a925f0f79c49ca4094958480f77b [0,2,0,0,0,0|1,1,0]=4 8726 B12R1.26 CC[C@H](C)CNc1ccc(s1)Br 392e7d96b76a26c04a8f7ef9cb6c106d [0,2,0,0,0,0|1,0,0]=3 8727 B12R1.26 CC[C@H](C)CNc1ccc(s1)C 2fa17a51cf79a92ccd04d3e3674aa9fc [0,2,0,0,0,0|1,0,0]=3 8728 B12R1.26 CC[C@H](C)CNc1ccc(s1)F 7a84328e02acc1f374fe8c49e9f16339 [0,2,0,0,0,0|1,0,0]=3 8729 B12R1.26 CC[C@H](C)CNc1cnc(s1)Br 7929374895c46d2480cf2d10e9de78bb [0,2,0,0,0,0|2,0,0]=4 8730 B12R1.26 CC[C@H](C)CNc1cnc(s1)C 310d9f88865e5072c5226953b5f8b3fe [0,2,0,0,0,0|2,0,0]=4 8731 B12R1.26 CC[C@H](C)CNc1cnc(s1)N 737ad5d8eb75264ee9cb8da809afdfaa [0,2,0,0,0,0|2,0,0]=4 8732 B12R1.26 CC[C@H](C)CNc1cnc(s1)S a131ddb7f3ac36f2f2c13576c7665589 [0,2,0,0,0,0|2,0,0]=4 8733 B12R1.26 CC[C@H](C)CNc1nc(cs1)Br bb2566bb9ae8dc55051a2914f086df2d [0,2,0,0,0,0|2,0,0]=4 8734 B12R1.26 CC[C@H](C)CNc1nc(cs1)C e0f1ffe54241e994f91936aef9d8f779 [0,2,0,0,0,0|2,0,0]=4 8735 B12R1.26 CC[C@H](C)CNc1nc(cs1)Cl 6b85904c23283534a3fa74fb698281f5 [0,2,0,0,0,0|2,0,0]=4 8736 B12R1.26 CC[C@H](C)CNc1ncc(s1)Br 8ceab94d7776f4c227ec8d9aca75bac9 [0,2,0,0,0,0|2,0,0]=4 8737 B12R1.26 CC[C@H](C)CNc1ncc(s1)C 90504f11f70539111dbb4daa334f415e [0,2,0,0,0,0|2,0,0]=4 8738 B12R1.26 CC[C@H](C)CNc1ncc(s1)Cl 4b345f5abd85895bda0d098da6a5b036 [0,2,0,0,0,0|2,0,0]=4 8739 B12R1.26 CC[C@H](C)CNc1ncc(s1)F c38af90f3a54e81f70ac20418bed7f7c [0,2,0,0,0,0|2,0,0]=4 8740 B12R1.26 CC[C@H](C)COc1cc(cs1)C 56eaf72fabdc5b242fbcb4df96fd37b8 [0,2,0,0,0,0|1,0,0]=3 8741 B12R1.26 CC[C@H](C)COc1ccc(s1)Br d4753fa4fbe52f31754d7e165a6b1770 [0,2,0,0,0,0|1,0,0]=3 8742 B12R1.26 CC[C@H](C)COc1nc(cs1)Br 436163309248a4ff08a416729378ac29 [0,2,0,0,0,0|2,0,0]=4 8743 B12R1.26 CC[C@H](C)NCc1cc(cs1)Br 34ba8636f07e8d9ae366080f97da7363 [0,2,0,0,0,0|1,0,0]=3 8744 B12R1.26 CC[C@H](C)NCc1ccc(s1)Br 7b7cc06608efb8bfbc13380f1632cb44 [0,2,0,0,0,0|1,0,0]=3 8745 B12R1.26 CC[C@H](C)NCc1ccc(s1)Cl cdf370c673840ea2557ca98676278af8 [0,2,0,0,0,0|1,0,0]=3 8746 B12R1.26 CC[C@H](C)NCc1cnc(s1)Br 242adac09d6fbaade5a8e28c247ae3a9 [0,2,0,0,0,0|2,0,0]=4 8747 B12R1.26 CC[C@H](C)NCc1cnc(s1)C 59d92da73bcb36e927473ea4ed07a7cf [0,2,0,0,0,0|2,0,0]=4 8748 B12R1.26 CC[C@H](C)NCc1cnc(s1)Cl b44c726795abc6a6769bd17a6c89b6ff [0,2,0,0,0,0|2,0,0]=4 8749 B12R1.26 CC[C@H](C)NCc1nc(cs1)Br 601ef2bfbf6aeee8c97d7befcb154731 [0,2,0,0,0,0|2,0,0]=4 8750 B12R1.26 CC[C@H](C)NCc1nc(cs1)C ab6d389f708e24444eee1d2b23eccf85 [0,2,0,0,0,0|2,0,0]=4 8751 B12R1.26 CC[C@H](C)NCc1ncc(s1)Br 644dd3e12d720402f6f62a41ce5b460f [0,2,0,0,0,0|2,0,0]=4 8752 B12R1.26 CC[C@H](C)NCc1ncc(s1)Cl 9f643681ec769fa8d605687c16f99a20 [0,2,0,0,0,0|2,0,0]=4 8753 B12R1.26 CC[C@H](C)OCc1cc(cs1)Br a55b7c54687d54b91e1a6b329dc6f7da [0,2,0,0,0,0|1,0,0]=3 8754 B12R1.26 CC[C@H](C)OCc1ccc(s1)Br 8a995694e9016ddb84189706f9d5ffcf [0,2,0,0,0,0|1,0,0]=3 8755 B12R1.26 CC[C@H](C)OCc1ccc(s1)Cl affd00b6383d0a0901010138d64f969a [0,2,0,0,0,0|1,0,0]=3 8756 B12R1.26 CC[C@H](C)OCc1cnc(s1)Br 28375cd350fce2128770badf50a8b14c [0,2,0,0,0,0|2,0,0]=4 8757 B12R1.26 CC[C@H](C)OCc1cnc(s1)C 8e685b986bbc1e643bacf4e33d96ecde [0,2,0,0,0,0|2,0,0]=4 8758 B12R1.26 CC[C@H](C)OCc1cnc(s1)Cl 2e5c27586025d0e6221048228a190f73 [0,2,0,0,0,0|2,0,0]=4 8759 B12R1.26 CC[C@H](C)OCc1nc(cs1)Br ac194166d2aad9349ec06830f528c057 [0,2,0,0,0,0|2,0,0]=4 8760 B12R1.26 CC[C@H](C)OCc1nc(cs1)C c0a8746e03e07bce446cfd81fd05dc9a [0,2,0,0,0,0|2,0,0]=4 8761 B12R1.26 CC[C@H](C)OCc1ncc(s1)Br 54d9eb3e98e4505c0eec547ac88bb73b [0,2,0,0,0,0|2,0,0]=4 8762 B12R1.26 CC[C@H](C)OCc1ncc(s1)Cl 62c7a56802dfcc2ff7d4071af05016df [0,2,0,0,0,0|2,0,0]=4 8763 B12R1.26 COC(C)CNc1ccc(s1)Br a49d8f7ee705df3b538ee5724391d7f5 [0,2,0,0,0,0|2,0,0]=4 8764 B12R1.26 COC(C)CNc1ccc(s1)C 9301e7fd0b7b2603c16470f037d59eaa [0,2,0,0,0,0|2,0,0]=4 8765 B12R1.26 COC(C)COc1cc(cs1)C 8c004c1f673ca890ce57b4c47a5b4a3f [0,2,0,0,0,0|2,0,0]=4 8766 B12R1.26 COC(C)COc1ccc(s1)Br 3cc77cd7fd7b11fabb76ae10d4ba53af [0,2,0,0,0,0|2,0,0]=4 8767 B12R1.26 CO[C@@H](C)CNc1ccc(s1)Br d69fc1f7b7cdffe6586181bc0971424a [0,2,0,0,0,0|2,0,0]=4 8768 B12R1.26 CO[C@@H](C)CNc1ccc(s1)C 75fba5956121f06c054a1dc75e2c8df4 [0,2,0,0,0,0|2,0,0]=4 8769 B12R1.26 CO[C@@H](C)COc1cc(cs1)C 7dbb8e2e09490430de883177528b9f96 [0,2,0,0,0,0|2,0,0]=4 8770 B12R1.26 CO[C@@H](C)COc1ccc(s1)Br c4b69d550bfa5269728f71f913f1027a [0,2,0,0,0,0|2,0,0]=4 8771 B12R1.26 CO[C@H](C)CNc1ccc(s1)Br 37bacb52ef54ecb39b013386fd850195 [0,2,0,0,0,0|2,0,0]=4 8772 B12R1.26 CO[C@H](C)CNc1ccc(s1)C 91df0bf7f6e698717b105775f46967f7 [0,2,0,0,0,0|2,0,0]=4 8773 B12R1.26 CO[C@H](C)COc1cc(cs1)C cc709d14f492f562414551b6c618935c [0,2,0,0,0,0|2,0,0]=4 8774 B12R1.26 CO[C@H](C)COc1ccc(s1)Br 6bca0fbc362cd4824a05ffabf1f8cfb6 [0,2,0,0,0,0|2,0,0]=4 8775 B12R1.26 C[C@@H](CO)CNc1ccc(s1)Br 2b535c3699cbeb4971a5ae04363cda59 [0,2,0,0,0,0|2,0,0]=4 8776 B12R1.26 C[C@@H](CO)NCc1cc(cs1)Br 9811ebeef0b005e0f24ab0bf9d1802a3 [0,2,0,0,0,0|2,0,0]=4 8777 B12R1.26 C[C@@H](CO)NCc1ccc(s1)Br effe30800daa68348a91eb5c2856f66c [0,2,0,0,0,0|2,0,0]=4 8778 B12R1.26 C[C@@H](CO)NCc1ccc(s1)Cl 62294499bba5af17157fd5a396bad16c [0,2,0,0,0,0|2,0,0]=4 8779 B12R1.26 C[C@@H](CO)NCc1ccc(s1)F e088d05143be5972247cd12229f45401 [0,2,0,0,0,0|2,0,0]=4 8780 B12R1.26 C[C@H](CO)CNc1ccc(s1)Br 9bbd48f1882c2846ff79df7dcfdf3f14 [0,2,0,0,0,0|2,0,0]=4 8781 B12R1.26 C[C@H](CO)CNc1ccc(s1)F 1bf5aac6daab6d0f5e5907f452500464 [0,2,0,0,0,0|2,0,0]=4 8782 B12R1.26 C[C@H](CO)NCc1cc(cs1)Br f7302b4859961896f2f066595a15edeb [0,2,0,0,0,0|2,0,0]=4 8783 B12R1.26 C[C@H](CO)NCc1ccc(s1)Br a58fc94db4607ae0acf215e8cd8bb8c9 [0,2,0,0,0,0|2,0,0]=4 8784 B12R1.26 C[C@H](CO)NCc1ccc(s1)Cl 9cf3333acf5509577ce532a139d57c05 [0,2,0,0,0,0|2,0,0]=4 8785 B12R1.26 C[C@H](CO)NCc1ccc(s1)F 6e6a9b89c32e8bb8a1e855aa26fff9e6 [0,2,0,0,0,0|2,0,0]=4 8786 B12R1.26 C[C@H](CS)OCc1cc(cs1)Br a04726b4d6de5c0c2cff3ae24201b3b4 [0,2,0,0,0,0|2,0,0]=4 8787 B12R1.26 C[C@H](CS)OCc1ccc(s1)Br 17dcb644e9587e76e1b4e3605174b100 [0,2,0,0,0,0|2,0,0]=4 8788 B12R1.26 C[C@H](CS)OCc1ccc(s1)Cl 0f148723afc3366274bdb8ed25aa9f77 [0,2,0,0,0,0|2,0,0]=4 8789 B12R1.26 Cc1ccc(s1)CNC(C)CO ee5d1cb6b59f764ac06a08299f0469f9 [0,2,0,0,0,0|2,0,0]=4 8790 B12R1.26 Cc1ccc(s1)CN[C@@H](C)CO bc20e7b72b4fe1c2390b449cf776ce4b [0,2,0,0,0,0|2,0,0]=4 8791 B12R1.26 Cc1ccc(s1)CN[C@H](C)CO cc49b6ece5a96a4f19f8d2467f9e06b3 [0,2,0,0,0,0|2,0,0]=4 8792 B12R1.26 Cc1ccc(s1)NCC(Br)CBr 1e8245c9f4e9110e86496e94b20c3a99 [0,2,0,0,0,0|2,0,0]=4 8793 B12R1.26 Cc1ccc(s1)NCC(C)CO 9db6a851b05c8b6c7bff65e08bf40beb [0,2,0,0,0,0|2,0,0]=4 8794 B12R1.26 Cc1ccc(s1)NCC(F)CO 2a60bedbb926bd713392bff8f15a4167 [0,2,0,0,0,0|2,0,0]=4 8795 B12R1.26 Cc1ccc(s1)NCC(O)CF 8f8c86fb4758b437a1d79395a2003494 [0,2,0,0,0,0|2,0,0]=4 8796 B12R1.26 Cc1ccc(s1)NCC(O)CO 91d3383ad267a191a0c8ae2f7b6280ad [0,2,0,0,0,0|2,0,0]=4 8797 B12R1.26 Cc1ccc(s1)NC[C@@H](C)CO 72c1822554e71c97fdbc5bfe454a86de [0,2,0,0,0,0|2,0,0]=4 8798 B12R1.26 Cc1ccc(s1)NC[C@@H](F)CO 5761d82a3946b0d3112df3783dd48eac [0,2,0,0,0,0|2,0,0]=4 8799 B12R1.26 Cc1ccc(s1)NC[C@@H](O)CO 7daa58bc75e3b9b40777a50481eb0d71 [0,2,0,0,0,0|2,0,0]=4 8800 B12R1.26 Cc1ccc(s1)NC[C@H](C)CO d321084a898a6a5abe89e40b5f0c3c5c [0,2,0,0,0,0|2,0,0]=4 8801 B12R1.26 Cc1ccc(s1)NC[C@H](F)CO 9d75849643de518275edac7ba58a022e [0,2,0,0,0,0|2,0,0]=4 8802 B12R1.26 Cc1ccc(s1)NC[C@H](O)CO 0ad33e06d6a619b3df89c77291c5a897 [0,2,0,0,0,0|2,0,0]=4 8803 B12R1.26 Cc1csc(c1)CNC(C)CO 84b64bbf79ed7fc076e6e766ff4741fe [0,2,0,0,0,0|2,0,0]=4 8804 B12R1.26 Cc1csc(c1)CN[C@@H](C)CO 02ac0253a66e1e8d4e0caa1caa352d7e [0,2,0,0,0,0|2,0,0]=4 8805 B12R1.26 Cc1csc(c1)CN[C@H](C)CO 81c6404690c842421bed54f9a816e3f0 [0,2,0,0,0,0|2,0,0]=4 8806 B12R1.26 Cc1csc(c1)OCC(O)CO 4f899c6bd040f10f9be89876cab8e96d [0,2,0,0,0,0|2,0,0]=4 8807 B12R1.26 Cc1csc(c1)OC[C@@H](O)CO 1db052f63358f56673bb481dfab1f944 [0,2,0,0,0,0|2,0,0]=4 8808 B12R1.26 Cc1csc(c1)OC[C@H](O)CO 5130d340ef647f6754ef2dc0f897845e [0,2,0,0,0,0|2,0,0]=4 8809 B12R1.26 Fc1ccc(s1)NCC(Br)CBr e9dca9d49bbe3bc3b5b9cad79a22548e [0,2,0,0,0,0|2,0,0]=4 8810 B12R1.26 OC(CF)CNc1ccc(s1)Br 8ef8ac0e99d9c1070ec34aa9925ee6bb [0,2,0,0,0,0|2,0,0]=4 8811 B12R1.26 OCC(F)CNc1ccc(s1)F 07b57e68f570e8c56250a76702f1ee88 [0,2,0,0,0,0|2,0,0]=4 8812 B12R1.26 OCC(F)CNc1ccc(s1)O 48291c8c9d0bd4df8876adaf82377152 [0,2,0,0,0,0|2,0,0]=4 8813 B12R1.26 OCC(O)CNc1ccc(s1)Br c2eac326421f3c799d2734b2f084224f [0,2,0,0,0,0|2,0,0]=4 8814 B12R1.26 OCC(O)CNc1ccc(s1)F a0ffe34113de2e2bab8791e2880534e0 [0,2,0,0,0,0|2,0,0]=4 8815 B12R1.26 OCC(O)COc1ccc(s1)Br 6b97099cd1e49cf29ee117d27bb75f6b [0,2,0,0,0,0|2,0,0]=4 8816 B12R1.26 OC[C@@H](F)CNc1ccc(s1)F bfc231cfa89343e23b36fea1bb4e6751 [0,2,0,0,0,0|2,0,0]=4 8817 B12R1.26 OC[C@@H](F)CNc1ccc(s1)O 732529bbad2b9021e9ec419d0e271147 [0,2,0,0,0,0|2,0,0]=4 8818 B12R1.26 OC[C@@H](O)CNc1ccc(s1)Br 45fdb4d28936c75821b7a6df1275c2d4 [0,2,0,0,0,0|2,0,0]=4 8819 B12R1.26 OC[C@@H](O)CNc1ccc(s1)F 24486d14a46156420b4adba9044b3878 [0,2,0,0,0,0|2,0,0]=4 8820 B12R1.26 OC[C@@H](O)COc1ccc(s1)Br 3b24868d47ce065d20bc90c83593666e [0,2,0,0,0,0|2,0,0]=4 8821 B12R1.26 OC[C@H](F)CNc1ccc(s1)F 05585a61bad61d38e8d8ee0f255da4fc [0,2,0,0,0,0|2,0,0]=4 8822 B12R1.26 OC[C@H](F)CNc1ccc(s1)O 708789d5c0adf0274f0e76ad178a025a [0,2,0,0,0,0|2,0,0]=4 8823 B12R1.26 OC[C@H](O)CNc1ccc(s1)Br 093480cd68735b64ec9070ed34e5c463 [0,2,0,0,0,0|2,0,0]=4 8824 B12R1.26 OC[C@H](O)CNc1ccc(s1)F 70c9d572a09e6d91254786f9b9a25692 [0,2,0,0,0,0|2,0,0]=4 8825 B12R1.26 OC[C@H](O)COc1ccc(s1)Br 687744156c3b09a3a5ee5b70148704df [0,2,0,0,0,0|2,0,0]=4 8826 B12R1.108 CC(CO)N(C)Cc1cccs1 b2cd427e7bd66dde7712411e653d6ca0 [0,2,0,0,0,0|2,0,0]=4 8827 B12R1.108 CCC(=O)N(C)Cc1cccs1 3478c8138ff3865ea56672a7d5c9a33e [0,2,0,0,0,0|1,0,1]=4 8828 B12R1.108 CCC(C)C(C)Nc1ccns1 af1ed87f61e55e4f0a8ec9a9f8db564e [0,2,0,0,0,0|2,0,0]=4 8829 B12R1.108 CCC(C)C(C)Nc1nccs1 1bfc25d675d5083df0d23fbd6e1bc573 [0,2,0,0,0,0|2,0,0]=4 8830 B12R1.108 CCC(C)N(C)Cc1ccc[nH]1 50fb4578989f3b799715acd22550e068 [0,2,0,0,0,0|2,0,0]=4 8831 B12R1.108 CCC(C)N(C)Cc1ccco1 36935af45dd1c65090445c9f9f05e501 [0,2,0,0,0,0|1,1,0]=4 8832 B12R1.108 CCC(C)N(C)Cc1cccs1 b96ae28cdb564b81524c37027816b9fb [0,2,0,0,0,0|1,0,0]=3 8833 B12R1.108 CCC(C)N(C)Cc1nccs1 2932230a449fa45a23e8c4fdd464fa21 [0,2,0,0,0,0|2,0,0]=4 8834 B12R1.108 CCC(O)C(=O)Nc1cccs1 f8741e5c4f9683838b368546617e09eb [0,2,0,0,0,0|1,0,1]=4 8835 B12R1.108 CCN(C)C(=O)Cc1cccs1 3af714b64108edf1273fc4787b9376f7 [0,2,0,0,0,0|1,0,1]=4 8836 B12R1.108 CC[C@@H](O)C(=O)Nc1cccs1 c8f8405857c880d3521298afe6f3c796 [0,2,0,0,0,0|1,0,1]=4 8837 B12R1.108 CC[C@H](O)C(=O)Nc1cccs1 1d205ba9fbb38b2d8f072744d42f0c7f [0,2,0,0,0,0|1,0,1]=4 8838 B12R1.108 CC[C@H](S)C(=O)Nc1cccs1 08562b5edabba39064f25b3a7c0b2906 [0,2,0,0,0,0|1,0,1]=4 8839 B12R1.108 C[C@@H](CO)N(C)Cc1cccs1 365dca3d2fce3c1e1a84ef4b23821747 [0,2,0,0,0,0|2,0,0]=4 8840 B12R1.108 C[C@H](CO)N(C)Cc1cccs1 27604b9108dd16b91a75b14fcd85d7e6 [0,2,0,0,0,0|2,0,0]=4 8841 B12R1.196 CC(C)(CF)NCc1cccs1 20fbf49faa5d665ea05111221186ae84 [0,2,0,0,0,0|2,0,0]=4 8842 B12R1.196 CC(C)(CO)CNc1cccs1 9b86a1833f2bd8a22805d13fd1e9edc0 [0,2,0,0,0,0|2,0,0]=4 8843 B12R1.196 CC(C)(CO)NCc1cccs1 5a4cc0e5de8fb049223a5f56a31abf99 [0,2,0,0,0,0|2,0,0]=4 8844 B12R1.196 CCC(C)(C)CNc1ccns1 89bd68c3ff052c167100430d3a3d922a [0,2,0,0,0,0|2,0,0]=4 8845 B12R1.196 CCC(C)(C)CNc1nccs1 15a256b58604f2af2fcad6e4e3a2b4f2 [0,2,0,0,0,0|2,0,0]=4 8846 B12R1.196 CCC(C)(C)NCc1cccs1 0b337006a1390e9308c249dfcb8ab789 [0,2,0,0,0,0|1,0,0]=3 8847 B12R1.196 CCC(C)(C)NCc1nccs1 39cb25e9c23f2f67a9d4a56c372283e1 [0,2,0,0,0,0|2,0,0]=4 8848 B12R1.196 CCC(C)(O)CNc1ccns1 4a4afa8bd243fa11ff3bcbd4a063b88e [0,2,0,0,0,0|2,0,0]=4 8849 B12R1.196 CCC(C)(O)CNc1nccs1 ab241840e5a4ba3ea73f53e0d5bcc413 [0,2,0,0,0,0|2,0,0]=4 8850 B12R1.196 OCC(F)(F)CNc1cccs1 76a771eff7db53f0ccb9696155f85bac [0,2,0,0,0,0|2,0,0]=4 8851 B12R1.264 CC(=O)C(C)NCc1cccs1 5cea9573895ebd6dfff1939e098d02cc [0,2,0,0,0,0|1,0,1]=4 8852 B12R1.264 CC(=O)C(C)OCc1cccs1 69836dc3ab3238b1f7ec607a30dd354d [0,2,0,0,0,0|1,0,1]=4 8853 B12R1.264 CC(=O)N(C)CCc1cccs1 1c9999f099c6a54703cd1e3489f23412 [0,2,0,0,0,0|1,0,1]=4 8854 B12R1.264 CC(C)C(=O)CNc1cccs1 1a9aa8b6cdca285cc12ca001cbf7e868 [0,2,0,0,0,0|1,0,1]=4 8855 B12R1.264 CC(C)C(=O)COc1cccs1 b0c4d2846ce3a7904f66368ca5566922 [0,2,0,0,0,0|1,0,1]=4 8856 B12R1.264 CC(C)C(C)CNc1cccs1 17d06f796966ef6e490fd65c15e75714 [0,2,0,0,0,0|1,0,0]=3 8857 B12R1.264 CC(C)C(C)CNc1ccns1 be2627334662f3581aa883ee3c6365d5 [0,2,0,0,0,0|2,0,0]=4 8858 B12R1.264 CC(C)C(C)CNc1cncs1 039de235f1a9a59497d788854d3bcf08 [0,2,0,0,0,0|2,0,0]=4 8859 B12R1.264 CC(C)C(C)CNc1nccs1 f46738961f664a5df1c6131f66f5737f [0,2,0,0,0,0|2,0,0]=4 8860 B12R1.264 CC(C)C(C)COc1ccco1 fe3e63a209570621153e92521115ee03 [0,2,0,0,0,0|1,1,0]=4 8861 B12R1.264 CC(C)C(C)COc1cccs1 1880efc04c53f7feda035242642a3ef1 [0,2,0,0,0,0|1,0,0]=3 8862 B12R1.264 CC(C)C(C)COc1nccs1 be167ddeb05f46bc922d70865c486852 [0,2,0,0,0,0|2,0,0]=4 8863 B12R1.264 CC(C)C(C)NCc1ccc[nH]1 eb731c6091ec3c230bc1c4501537927d [0,2,0,0,0,0|2,0,0]=4 8864 B12R1.264 CC(C)C(C)NCc1ccco1 4f02dd434dfcd1475dde6eef1799a75c [0,2,0,0,0,0|1,1,0]=4 8865 B12R1.264 CC(C)C(C)NCc1cccs1 dbac469ffd3ffdf21c5301996f84f801 [0,2,0,0,0,0|1,0,0]=3 8866 B12R1.264 CC(C)C(C)NCc1ccns1 30c81f8a95479b734719738a76322227 [0,2,0,0,0,0|2,0,0]=4 8867 B12R1.264 CC(C)C(C)NCc1nccs1 1f2cabb9a28e74054d48d6a405826bd8 [0,2,0,0,0,0|2,0,0]=4 8868 B12R1.264 CC(C)C(C)OCc1ccc[nH]1 3f17e3f95696d3c266ef76168484983b [0,2,0,0,0,0|2,0,0]=4 8869 B12R1.264 CC(C)C(C)OCc1cccs1 fa63132d9159c9ee5f25a2b5f49873f6 [0,2,0,0,0,0|1,0,0]=3 8870 B12R1.264 CC(C)C(C)OCc1ccns1 f44f6f7d1c432486c356920aa220c03c [0,2,0,0,0,0|2,0,0]=4 8871 B12R1.264 CC(C)C(C)OCc1nccs1 8543e531b4536b3606ab73bef0e9e2bf [0,2,0,0,0,0|2,0,0]=4 8872 B12R1.264 CC(C)C(O)CNc1ccns1 28d98f47d5747bba0bde1e4ca851d52a [0,2,0,0,0,0|2,0,0]=4 8873 B12R1.264 CC(C)C(O)CNc1nccs1 5dd86c70b98010cb40f54890951dff05 [0,2,0,0,0,0|2,0,0]=4 8874 B12R1.264 CC(C)N(C)CCc1cccs1 8c4831d55fd29c6dc20ddd281e499b28 [0,2,0,0,0,0|1,0,0]=3 8875 B12R1.264 CC(C)[C@@H](C)NCc1cccs1 a7cab616c7a799603b9e422c1449c507 [0,2,0,0,0,0|1,0,0]=3 8876 B12R1.264 CC(C)[C@@H](C)NCc1nccs1 fd6e9d9153f425de37ba9a238ec6eff0 [0,2,0,0,0,0|2,0,0]=4 8877 B12R1.264 CC(C)[C@@H](C)OCc1cccs1 fe89851ade8b5e75aa05059424b5a352 [0,2,0,0,0,0|1,0,0]=3 8878 B12R1.264 CC(C)[C@@H](C)OCc1nccs1 af4bce171cf1eb9325b5e20ab8787172 [0,2,0,0,0,0|2,0,0]=4 8879 B12R1.264 CC(C)[C@H](C)NCc1cccs1 bff3fd141ddf996983d6d2b4125a44ab [0,2,0,0,0,0|1,0,0]=3 8880 B12R1.264 CC(C)[C@H](C)NCc1nccs1 1a17dae00ca673be7acb2b9585b208db [0,2,0,0,0,0|2,0,0]=4 8881 B12R1.264 CC(C)[C@H](C)OCc1cccs1 3e9f9be192af862337c722be6013fd76 [0,2,0,0,0,0|1,0,0]=3 8882 B12R1.264 CC(C)[C@H](C)OCc1nccs1 81aeb1d894271983e97bfc9ff87d0be3 [0,2,0,0,0,0|2,0,0]=4 8883 B12R1.264 CC(F)C(=O)NCc1cccs1 448ffc8d560f9073d058924c7458402c [0,2,0,0,0,0|1,0,1]=4 8884 B12R1.264 CC(O)C(=O)NCc1cccs1 01fcbb0bd3e1c2b84728da262af88627 [0,2,0,0,0,0|1,0,1]=4 8885 B12R1.264 CC(O)C(C)NCc1ccco1 fd0f5e0f168fe2f08321a6017186d7a7 [0,2,0,0,0,0|1,1,0]=4 8886 B12R1.264 CC(O)C(C)NCc1cccs1 b51fab64c64b0ca57dd145c54cb38f12 [0,2,0,0,0,0|1,0,0]=3 8887 B12R1.264 CC(O)C(C)NCc1nccs1 f93e495626e8342d3c2eff4740fcb347 [0,2,0,0,0,0|2,0,0]=4 8888 B12R1.264 CC(OCc1cccs1)C(F)F af82f82b59a42910ef84bea49d81815e [0,2,0,0,0,0|2,0,0]=4 8889 B12R1.264 CC(S)C(=O)NCc1cccs1 a6165581ec80ad4d949c9efb21dc2119 [0,2,0,0,0,0|1,0,1]=4 8890 B12R1.264 CC(S)C(C)OCc1cccs1 a6e95896567d07b50d34209ef39d6b26 [0,2,0,0,0,0|1,0,0]=3 8891 B12R1.264 CC(S)C(C)OCc1nccs1 f53dfe0cba5237b43c4a6d5ad94fa911 [0,2,0,0,0,0|2,0,0]=4 8892 B12R1.264 C[C@@H](F)C(=O)NCc1cccs1 63062eb9ac1a2dfba81685c536b5ec0b [0,2,0,0,0,0|1,0,1]=4 8893 B12R1.264 C[C@@H](NCc1cccs1)C(F)F 664e3101fef7badbee7a1a2f6461abdf [0,2,0,0,0,0|2,0,0]=4 8894 B12R1.264 C[C@@H](O)C(=O)NCc1cccs1 42a76a56b85d0f57aa1e96105d36085e [0,2,0,0,0,0|1,0,1]=4 8895 B12R1.264 C[C@H](F)C(=O)NCc1cccs1 3415b673a283593370e2789dba7a6b93 [0,2,0,0,0,0|1,0,1]=4 8896 B12R1.264 C[C@H](NCc1cccs1)C(F)F be0364cde1c3861c2a34dbac219890cb [0,2,0,0,0,0|2,0,0]=4 8897 B12R1.264 C[C@H](O)C(=O)NCc1cccs1 800fb935a86174ab7a7a1f0b98df8e58 [0,2,0,0,0,0|1,0,1]=4 8898 B12R1.264 OC(CNc1cccs1)C(F)F 55434d5f4d341e445835b37a4d2890b9 [0,2,0,0,0,0|2,0,0]=4 8899 B12R1.297 BrCC(CBr)OCc1cccs1 ee8afec8afaf9fa1d38c5328651663ad [0,2,0,0,0,0|2,0,0]=4 8900 B12R1.297 C#CC(CC)OCc1ccco1 68994569e963c3b426a53e1c654c0d3a [0,2,0,0,0,0|1,1,0]=4 8901 B12R1.297 C#CC(CC)OCc1cccs1 ebf37ce99c946bdd9b82a34848dc1771 [0,2,0,0,0,0|1,0,0]=3 8902 B12R1.297 C#CC(CC)OCc1nccs1 a2e65f666d1af3d761b07ace76e263e8 [0,2,0,0,0,0|2,0,0]=4 8903 B12R1.297 C=CC(CC)OCc1ccco1 76f5c4576d0fb12c7e11aa4b82810f98 [0,2,0,0,0,0|1,1,0]=4 8904 B12R1.297 C=CC(CC)OCc1cccs1 5e81f1dcafdf2b3404518eadec9acbf7 [0,2,0,0,0,0|1,0,0]=3 8905 B12R1.297 C=CC(CC)OCc1nccs1 9f080d5b6e0e059d0bd3534cc3a7cb0d [0,2,0,0,0,0|2,0,0]=4 8906 B12R1.297 C=C[C@@H](CO)NCc1cccs1 15ed1f9a6056f397e6c43dd439025f30 [0,2,0,0,0,0|2,0,0]=4 8907 B12R1.297 CCC(C#N)OCc1cccs1 17cd18819c84f9df21c3d4f3b01061c9 [0,2,0,0,0,0|1,0,0]=3 8908 B12R1.297 CCC(C#N)OCc1nccs1 e5acc4dd58a78a3d68dfa1fd2901d882 [0,2,0,0,0,0|2,0,0]=4 8909 B12R1.297 CCC(C=O)NCc1ccc[nH]1 bcf5fdce65a801ad34c3e5f542317e21 [0,2,0,0,0,0|2,0,0]=4 8910 B12R1.297 CCC(C=O)NCc1ccco1 856e135eecac705a7dc836af14239519 [0,2,0,0,0,0|1,1,0]=4 8911 B12R1.297 CCC(C=O)NCc1cccs1 0b6dcc8ede2ec2e4abee70cc522b2625 [0,2,0,0,0,0|1,0,0]=3 8912 B12R1.297 CCC(C=O)NCc1ccns1 16949b1e680dbb6f83c32023ffd11576 [0,2,0,0,0,0|2,0,0]=4 8913 B12R1.297 CCC(C=O)NCc1cncs1 d4436208872c8ec510572a30c0c83df5 [0,2,0,0,0,0|2,0,0]=4 8914 B12R1.297 CCC(C=O)NCc1nccs1 a180eff5453d766cfbba405bf689e826 [0,2,0,0,0,0|2,0,0]=4 8915 B12R1.297 CCC(C=O)OCc1ccc[nH]1 1d2c2cda437bf02411a225ef7d8802ef [0,2,0,0,0,0|2,0,0]=4 8916 B12R1.297 CCC(C=O)OCc1ccco1 573cf798ce6387eaf35edd96250f243a [0,2,0,0,0,0|1,1,0]=4 8917 B12R1.297 CCC(C=O)OCc1cccs1 79652a4a9fe8d94575f7dab53adf57c5 [0,2,0,0,0,0|1,0,0]=3 8918 B12R1.297 CCC(C=O)OCc1ccns1 d96d92faa3a5f115fdba148aa47a3607 [0,2,0,0,0,0|2,0,0]=4 8919 B12R1.297 CCC(C=O)OCc1nccs1 41d4b1d98b2c62b46083fc80055218c3 [0,2,0,0,0,0|2,0,0]=4 8920 B12R1.297 CCC(CC)CNc1ccco1 5fa738e608623ada493d581411cd7b43 [0,2,0,0,0,0|1,1,0]=4 8921 B12R1.297 CCC(CC)CNc1cccs1 af36b7a1be90ca3b2dba95cee286f12f [0,2,0,0,0,0|1,0,0]=3 8922 B12R1.297 CCC(CC)CNc1ccns1 f5300489995aef75c1a244a67684a81d [0,2,0,0,0,0|2,0,0]=4 8923 B12R1.297 CCC(CC)CNc1cncs1 ffd7e6fd89bd08b5c84d06ff31521333 [0,2,0,0,0,0|2,0,0]=4 8924 B12R1.297 CCC(CC)CNc1nccs1 3731fe1a2dad3aab658fffac07b2ec03 [0,2,0,0,0,0|2,0,0]=4 8925 B12R1.297 CCC(CC)COc1ccco1 b2deb7373e2a838d20ba288fe3068cc0 [0,2,0,0,0,0|1,1,0]=4 8926 B12R1.297 CCC(CC)COc1cccs1 5b823b11e6faafb470540d9e201cafee [0,2,0,0,0,0|1,0,0]=3 8927 B12R1.297 CCC(CC)COc1nccs1 02d2ed19132582123d777620c4490e66 [0,2,0,0,0,0|2,0,0]=4 8928 B12R1.297 CCC(CC)NCc1ccc[nH]1 38fb836b8c9a134cca4638947e169dc4 [0,2,0,0,0,0|2,0,0]=4 8929 B12R1.297 CCC(CC)NCc1ccco1 2656acf089ef60bd70f390a02f914b3b [0,2,0,0,0,0|1,1,0]=4 8930 B12R1.297 CCC(CC)NCc1cccs1 a3052a1cb277df7bf1fe4c60856bb89e [0,2,0,0,0,0|1,0,0]=3 8931 B12R1.297 CCC(CC)NCc1ccns1 f90072fd85fcc567a10d4c7f15c22218 [0,2,0,0,0,0|2,0,0]=4 8932 B12R1.297 CCC(CC)NCc1nccs1 5d9aa62e3656499aaacd19654ff91449 [0,2,0,0,0,0|2,0,0]=4 8933 B12R1.297 CCC(CC)OCc1ccc[nH]1 8bc1d1a5d230dd7ce59151b2cd7581ff [0,2,0,0,0,0|2,0,0]=4 8934 B12R1.297 CCC(CC)OCc1ccco1 6d2a02b6bed59d5730628d34435ea7d3 [0,2,0,0,0,0|1,1,0]=4 8935 B12R1.297 CCC(CC)OCc1cccs1 0efdcc5207d73eb5704d05b6d7b6dbf4 [0,2,0,0,0,0|1,0,0]=3 8936 B12R1.297 CCC(CC)OCc1ccns1 54341e1dd3eddbe830bd3968ee8088d7 [0,2,0,0,0,0|2,0,0]=4 8937 B12R1.297 CCC(CC)OCc1nccs1 28fa7cf79de4e1721b9cc894bf8334c3 [0,2,0,0,0,0|2,0,0]=4 8938 B12R1.297 CCC(CO)CNc1ccco1 1cbdbf9306c8a4f3133971f80fcf4f51 [0,2,0,0,0,0|1,1,0]=4 8939 B12R1.297 CCC(CO)CNc1cccs1 4747d8a7456299ef0c7d8fa5bcf32a56 [0,2,0,0,0,0|1,0,0]=3 8940 B12R1.297 CCC(CO)CNc1ccns1 684c34c07c0f24665739e3c85b324fcc [0,2,0,0,0,0|2,0,0]=4 8941 B12R1.297 CCC(CO)CNc1cncs1 f77b49a7735ef6490c8e0f934edd5ace [0,2,0,0,0,0|2,0,0]=4 8942 B12R1.297 CCC(CO)CNc1nccs1 58fa34984d2d448845c7178edd4fdf0d [0,2,0,0,0,0|2,0,0]=4 8943 B12R1.297 CCC(CO)NCc1ccc[nH]1 8e2bca69bdf9043ffb1af7315e2fea90 [0,2,0,0,0,0|2,0,0]=4 8944 B12R1.297 CCC(CO)NCc1ccco1 f47cec5346c1ff20159cc8efa0ac5539 [0,2,0,0,0,0|1,1,0]=4 8945 B12R1.297 CCC(CO)NCc1cccs1 f1e5fc0a8d1e6a83958c963650911f5e [0,2,0,0,0,0|1,0,0]=3 8946 B12R1.297 CCC(CO)NCc1ccns1 54d544adb3d1b2b3151ebe80aed44140 [0,2,0,0,0,0|2,0,0]=4 8947 B12R1.297 CCC(CO)NCc1cncs1 7c8df19e9d5e41f7f9ff85bebe966a89 [0,2,0,0,0,0|2,0,0]=4 8948 B12R1.297 CCC(CO)NCc1nccs1 9c8b96b88fea2d9f703465e7ba55c885 [0,2,0,0,0,0|2,0,0]=4 8949 B12R1.297 CC[C@@H](CO)NCc1ccco1 aecaf622725862e184900f70eeaa4dfb [0,2,0,0,0,0|1,1,0]=4 8950 B12R1.297 CC[C@@H](CO)NCc1cccs1 c7471af4ab3e4c355c999f67ab1ab305 [0,2,0,0,0,0|1,0,0]=3 8951 B12R1.297 CC[C@@H](CO)NCc1nccs1 e7fae161c70e9a7898a65b570c0b0efa [0,2,0,0,0,0|2,0,0]=4 8952 B12R1.297 CC[C@H](CO)NCc1ccco1 948a47662d46b2f8ee5dffab921d591d [0,2,0,0,0,0|1,1,0]=4 8953 B12R1.297 CC[C@H](CO)NCc1cccs1 f54e56a6424691188f7e109abcdaedc3 [0,2,0,0,0,0|1,0,0]=3 8954 B12R1.297 CC[C@H](CO)NCc1nccs1 3d9cc5296915b592c2325478aefd34d8 [0,2,0,0,0,0|2,0,0]=4 8955 B12R1.297 COC(CNc1cccs1)OC 927523f9c78981186daf794e7da3ec65 [0,2,0,0,0,0|2,0,0]=4 8956 B12R1.297 COC(COc1cccs1)OC b3b73f57966c6e870e5ac20bb8dbc30f [0,2,0,0,0,0|2,0,0]=4 8957 B12R1.297 CO[C@@H](CO)CNc1cccs1 17015897ddf7fb046464608642323fd1 [0,2,0,0,0,0|2,0,0]=4 8958 B12R1.297 ClCC(CBr)OCc1cccs1 4f6e2cc3c9b975c5daacde26e99c8fb2 [0,2,0,0,0,0|2,0,0]=4 8959 B12R1.297 ClCC(CCl)OCc1cccs1 fcad556635591b1fda17caedfcf82bf3 [0,2,0,0,0,0|2,0,0]=4 8960 B12R1.297 ClC[C@@H](CI)OCc1cccs1 81510df8fdb606c02fe9ed4faed669ec [0,2,0,0,0,0|2,0,0]=4 8961 B12R1.297 ClC[C@H](CI)OCc1cccs1 d14231f0e672e9b251dfde70744bd32f [0,2,0,0,0,0|2,0,0]=4 8962 B12R1.297 FCC(CF)OCc1cccs1 79feb4d2f8cd85819da6c1cdeb53f16b [0,2,0,0,0,0|2,0,0]=4 8963 B12R1.297 OCC(CO)CNc1cccs1 6c366c2a4b48c59d758ccd4542603fb9 [0,2,0,0,0,0|2,0,0]=4 8964 B12R1.297 OCC(CO)NCc1cccs1 741cdb40cd872b7a474b35bb5725b08e [0,2,0,0,0,0|2,0,0]=4 8965 B12R1.353 CC(CO)NCc1sccc1Cl 30bc6fc329feb65a78d4c036e9275b81 [0,2,0,0,0,0|2,0,0]=4 8966 B12R1.353 CC(CO)NCc1sccc1F a2a89131d47f80b6e908000c01c24760 [0,2,0,0,0,0|2,0,0]=4 8967 B12R1.353 CCC(=O)NCc1sccc1Br 79e6c95af4db604d48d4025680a9fdf3 [0,2,0,0,0,0|1,0,1]=4 8968 B12R1.353 CCC(=O)NCc1sccc1Cl afdc3effa1cae4dfac8c8b2cb309525a [0,2,0,0,0,0|1,0,1]=4 8969 B12R1.353 CCC(=O)NCc1sccc1F 9bad560cc4f1a76d07a87ca16d2d021c [0,2,0,0,0,0|1,0,1]=4 8970 B12R1.353 CCC(C)CNc1scnc1C bd92e8b3629e4dce989b4ff053e6eba3 [0,2,0,0,0,0|2,0,0]=4 8971 B12R1.353 CCC(C)COc1cccn1C dd59ba53fd1f2c9117b1550c72f1ac67 [0,2,0,0,0,0|2,0,0]=4 8972 B12R1.353 CCC(C)NCc1cccn1C 33c59063d0b7ad9ac92d99fb6174db3b [0,2,0,0,0,0|2,0,0]=4 8973 B12R1.353 CCC(C)NCc1occc1C 8078ac5cc9be9411e209572918a02e6e [0,2,0,0,0,0|1,1,0]=4 8974 B12R1.353 CCC(C)NCc1sccc1Cl 15c4aa52f82a8345ae0dbe4f87ac1d0e [0,2,0,0,0,0|1,0,0]=3 8975 B12R1.353 CCC(C)NCc1sccc1F 65000a09b026ba0186d08c34eba53ded [0,2,0,0,0,0|1,0,0]=3 8976 B12R1.353 CCC(C)NCc1scnc1C d1b46948334b1bfd53a7483ff7fbdd86 [0,2,0,0,0,0|2,0,0]=4 8977 B12R1.353 CCC(C)NCc1scnc1Cl dbaff8984cad1d4f50ddc9bba678bd27 [0,2,0,0,0,0|2,0,0]=4 8978 B12R1.353 CCC(C)OCc1cccn1C 11c28c8298d09aa88087b8f4d8e2ff68 [0,2,0,0,0,0|2,0,0]=4 8979 B12R1.353 CCC(C)OCc1occc1C 6b4f0b895aaf5ac242a2fe047bc1c312 [0,2,0,0,0,0|1,1,0]=4 8980 B12R1.353 CCC(C)OCc1sccc1C 9e4c4891e39bb9a5f2803694ab2ab3fb [0,2,0,0,0,0|1,0,0]=3 8981 B12R1.353 CCC(C)OCc1sccc1Cl 62221089ac6ce5164eb71c89655c4467 [0,2,0,0,0,0|1,0,0]=3 8982 B12R1.353 CCC(C)OCc1scnc1Br 6b7db2793fdae302bd70ebc5f906d802 [0,2,0,0,0,0|2,0,0]=4 8983 B12R1.353 CCC(C)OCc1scnc1C fdb1050b6417dd2ac19071cff9118daa [0,2,0,0,0,0|2,0,0]=4 8984 B12R1.353 CCC(C)OCc1scnc1Cl e6318bc51e53de6ce7e2193f5d84cf4a [0,2,0,0,0,0|2,0,0]=4 8985 B12R1.353 CCC(O)CNc1scnc1C b25c7937d74290bac6ca0fd055b47521 [0,2,0,0,0,0|2,0,0]=4 8986 B12R1.353 CC[C@@H](C)CNc1scnc1C b2c7a85213ee8e2ae62031da6875ecff [0,2,0,0,0,0|2,0,0]=4 8987 B12R1.353 CC[C@@H](C)COc1cccn1C 42409cf58c61a37178107a8abc42c696 [0,2,0,0,0,0|2,0,0]=4 8988 B12R1.353 CC[C@@H](C)NCc1scnc1Cl 4e5538c1c1b9004e250aba9bb6ce1467 [0,2,0,0,0,0|2,0,0]=4 8989 B12R1.353 CC[C@@H](C)OCc1scnc1C 2eb6f60edd863959f98abec67e1eee96 [0,2,0,0,0,0|2,0,0]=4 8990 B12R1.353 CC[C@@H](C)OCc1scnc1Cl 45fdee92bad7e0f480f23f720ab1d2da [0,2,0,0,0,0|2,0,0]=4 8991 B12R1.353 CC[C@H](C)CNc1scnc1C 8222a4eb4cc67b9f3e4bde6865c84a12 [0,2,0,0,0,0|2,0,0]=4 8992 B12R1.353 CC[C@H](C)COc1cccn1C 5d5fe191fc07d645d25a697143305a24 [0,2,0,0,0,0|2,0,0]=4 8993 B12R1.353 CC[C@H](C)NCc1scnc1Cl 0b5cface1d7e894630d49e9aae0e03f1 [0,2,0,0,0,0|2,0,0]=4 8994 B12R1.353 CC[C@H](C)OCc1scnc1C 02415e9af4fc5a8f6bc84e13070d04c0 [0,2,0,0,0,0|2,0,0]=4 8995 B12R1.353 CC[C@H](C)OCc1scnc1Cl be91e061d6df883a4563850679592b2a [0,2,0,0,0,0|2,0,0]=4 8996 B12R1.353 CO[C@@H](C)CNc1sccc1C 5c46d1dcde9deffce1ef19a735c2571e [0,2,0,0,0,0|2,0,0]=4 8997 B12R1.353 CO[C@H](C)CNc1sccc1C 1a1693ff7e95fe2d0c72dc7cbeb00934 [0,2,0,0,0,0|2,0,0]=4 8998 B12R1.353 C[C@@H](CO)NCc1sccc1Cl f29d6eaf3affe5fab3e79d6ede08422b [0,2,0,0,0,0|2,0,0]=4 8999 B12R1.353 C[C@H](CO)NCc1sccc1Cl c51c204d97258b82d723132a1b59ef2e [0,2,0,0,0,0|2,0,0]=4 9000 B12R1.353 Cc1ccsc1NCC(Br)CBr 05eaa1da8e8255a4607812a7e5d56fb3 [0,2,0,0,0,0|2,0,0]=4 9001 B12R1.353 Cc1ccsc1NCC(F)CO 980b2feec150e8bb252e1524117e81af [0,2,0,0,0,0|2,0,0]=4 9002 B12R1.353 Cc1ccsc1NCC(O)CO 92c6a63d43ed16922c1a9b0672c5faa3 [0,2,0,0,0,0|2,0,0]=4 9003 B12R1.353 Cc1ccsc1NC[C@@H](F)CO 51345c5c9c5c611b3aa2f8bab47fa23d [0,2,0,0,0,0|2,0,0]=4 9004 B12R1.353 Cc1ccsc1NC[C@@H](O)CO 53af9e0882ac7097ac38582c571bb0b2 [0,2,0,0,0,0|2,0,0]=4 9005 B12R1.353 Cc1ccsc1NC[C@H](F)CO 8483567469a13ad09eb22346f9b65dfd [0,2,0,0,0,0|2,0,0]=4 9006 B12R1.353 Cc1ccsc1NC[C@H](O)CO 95b262d603b53cd7e1327f7275ae2dd2 [0,2,0,0,0,0|2,0,0]=4 9007 B12R1.29 CC(NCCF)c1ccc(s1)Br ce104a4e5b9e23cb00061a28d90fd6f1 [0,2,0,0,0,0|2,0,0]=4 9008 B12R1.29 CC(NCCF)c1ccc(s1)Cl 3ea8c08a8b16d8f665b08ec61363e57f [0,2,0,0,0,0|2,0,0]=4 9009 B12R1.29 CC(NCCO)c1ccc(s1)Br fa94ef6ae22baf9c4e5f4e9901c35c8f [0,2,0,0,0,0|2,0,0]=4 9010 B12R1.29 CC(NCCO)c1ccc(s1)Cl d82f5b694084d1e23c4043b26cca993a [0,2,0,0,0,0|2,0,0]=4 9011 B12R1.29 CC(NCCS)c1ccc(s1)Br a1b622f5cf616e13d74d7cd9495756fe [0,2,0,0,0,0|2,0,0]=4 9012 B12R1.29 CC(NCCS)c1ccc(s1)Cl 26672881d5cf08177399f1a7fdd6555c [0,2,0,0,0,0|2,0,0]=4 9013 B12R1.29 CC(OCCF)c1cc(cs1)Br 077a189dc8e2f953291b32ca48b981c9 [0,2,0,0,0,0|2,0,0]=4 9014 B12R1.29 CC(OCCF)c1ccc(s1)Cl 61c97885e6599779e38e3e4e628b803b [0,2,0,0,0,0|2,0,0]=4 9015 B12R1.29 CC(OCCS)c1cc(cs1)Br caa1d25b85547bfbebc18361b5b6b610 [0,2,0,0,0,0|2,0,0]=4 9016 B12R1.29 CC(OCCS)c1ccc(s1)Cl 8558969d59f046511f67f97a2b926e8b [0,2,0,0,0,0|2,0,0]=4 9017 B12R1.29 CCCCN(C)c1cc(ns1)C 12b2a817a25c482889fc2c5a95668751 [0,2,0,0,0,0|2,0,0]=4 9018 B12R1.29 CCCCN(C)c1ccc(o1)C 7de32e6fa497a6d952a794ecf1437856 [0,2,0,0,0,0|1,1,0]=4 9019 B12R1.29 CCCCN(C)c1cnc(s1)N 2d3147d2a410a77030a8b32d180491c9 [0,2,0,0,0,0|2,0,0]=4 9020 B12R1.29 CCCCN(C)c1nc(cs1)C c2e977486186fafb26e6811c2155a7fc [0,2,0,0,0,0|2,0,0]=4 9021 B12R1.29 CCCCN(C)c1ncc(s1)C 61ec57d441ed6b046ca5cb1de89633df [0,2,0,0,0,0|2,0,0]=4 9022 B12R1.29 CCCNC(=O)c1cc(cs1)Br b78cd733dd85f49dc5f115973354cbea [0,2,0,0,0,0|1,0,1]=4 9023 B12R1.29 CCCNC(=O)c1cc(cs1)C 2c1eaccfae4d5dc5e5da3451ee3c6547 [0,2,0,0,0,0|1,0,1]=4 9024 B12R1.29 CCCNC(=O)c1cc(cs1)Cl 3453904790d187bf173848696df2adb5 [0,2,0,0,0,0|1,0,1]=4 9025 B12R1.29 CCCNC(=O)c1cc(cs1)F 646e2820370bffab186415836d18ae22 [0,2,0,0,0,0|1,0,1]=4 9026 B12R1.29 CCCNC(=O)c1cc(cs1)O 66198856725f27420d029423e6958a60 [0,2,0,0,0,0|1,0,1]=4 9027 B12R1.29 CCCNC(=O)c1ccc(s1)Br 1d4ac5c8f1a9edbcbbf1b006eed3f88a [0,2,0,0,0,0|1,0,1]=4 9028 B12R1.29 CCCNC(=O)c1ccc(s1)C f0566454de4885ea08b5b31120297c67 [0,2,0,0,0,0|1,0,1]=4 9029 B12R1.29 CCCNC(=O)c1ccc(s1)Cl ef60fe87bd45c69f02d76ee93f97946a [0,2,0,0,0,0|1,0,1]=4 9030 B12R1.29 CCCNC(=O)c1ccc(s1)F 9aa86e6aa10b9e8f6c992b1f1298f75d [0,2,0,0,0,0|1,0,1]=4 9031 B12R1.29 CCCNC(=O)c1ccc(s1)I 9b49fc66b14fc080bfbcaefe7f2423db [0,2,0,0,0,0|1,0,1]=4 9032 B12R1.29 CCCNC(C)c1ccc(o1)C f67d3c7cc5122f3180d8cff508c5ff2d [0,2,0,0,0,0|1,1,0]=4 9033 B12R1.29 CCCNC(C)c1ccc(s1)Cl 38c6f16cd840d6dade402d477e5b4d52 [0,2,0,0,0,0|1,0,0]=3 9034 B12R1.29 CCCNC(C)c1cnc(s1)Br fd2b3963f928ac1a22b0994a3f0a2c75 [0,2,0,0,0,0|2,0,0]=4 9035 B12R1.29 CCCNC(C)c1nc(cs1)Br e8397d26fd146b725e8bf492d9b14b46 [0,2,0,0,0,0|2,0,0]=4 9036 B12R1.29 CCCNC(C)c1nc(cs1)C 5a3071030b79878f80f66e1c7c6026e2 [0,2,0,0,0,0|2,0,0]=4 9037 B12R1.29 CCCN[C@@H](C)c1cc(cs1)Br 76ccf607896f76a21e730587275814a3 [0,2,0,0,0,0|1,0,0]=3 9038 B12R1.29 CCCN[C@@H](C)c1ccc(s1)C 095292ef04bd89ba3ce866865fa58dfa [0,2,0,0,0,0|1,0,0]=3 9039 B12R1.29 CCCN[C@@H](C)c1ncc(s1)Br 73d657adec960772dc32deeeffd86456 [0,2,0,0,0,0|2,0,0]=4 9040 B12R1.29 CCCN[C@H](C)c1cc(cs1)Br 42916680bb553aa2901d60125bd6c4cc [0,2,0,0,0,0|1,0,0]=3 9041 B12R1.29 CCCN[C@H](C)c1ccc(o1)C d23ccfc5d8626157b75eaaa0bbea01fc [0,2,0,0,0,0|1,1,0]=4 9042 B12R1.29 CCCN[C@H](C)c1ccc(s1)Cl be1beb24ed94b53d520b35eb321ab638 [0,2,0,0,0,0|1,0,0]=3 9043 B12R1.29 CCCOC(C)c1cc(cs1)Br 48e9da6d818bb7d0a712f0819c59f5de [0,2,0,0,0,0|1,0,0]=3 9044 B12R1.29 CCCOC(C)c1ccc(s1)Cl 46dfbb5324868c4d71c8c20edc945559 [0,2,0,0,0,0|1,0,0]=3 9045 B12R1.29 CCCOC(C)c1cnc(s1)C 8a3bb3fd583532740116c11675db505e [0,2,0,0,0,0|2,0,0]=4 9046 B12R1.29 CCCOC(C)c1nc(cs1)C 3ecbfc40c9c8c58536df8bef5d3f2fcd [0,2,0,0,0,0|2,0,0]=4 9047 B12R1.29 CCCO[C@@H](C)c1cc(cs1)Br fc5c70149bf43938c4f5eccf09295414 [0,2,0,0,0,0|1,0,0]=3 9048 B12R1.29 CCCO[C@H](C)c1cc(cs1)Br 504a891233c65db0b657d11f7be50941 [0,2,0,0,0,0|1,0,0]=3 9049 B12R1.29 CCCO[C@H](C)c1ccc(s1)C e79faf85f563c5026886624e17fae9da [0,2,0,0,0,0|1,0,0]=3 9050 B12R1.29 CCNCC(C)c1nc(cs1)C 7a1f98bf1b0d82b3fdd11095b9df3cd6 [0,2,0,0,0,0|2,0,0]=4 9051 B12R1.29 CN(CCCO)c1ccc(s1)F d3c3fb69cffa19387e71696652ddacd0 [0,2,0,0,0,0|2,0,0]=4 9052 B12R1.29 COCCN(C)c1ccc(s1)F 5c1652e41b3e6ad6468a5bb6b4675a46 [0,2,0,0,0,0|2,0,0]=4 9053 B12R1.29 COCNC(C)c1ccc(s1)Br db9428704f09b744325760c9880d48bb [0,2,0,0,0,0|2,0,0]=4 9054 B12R1.29 COCNC(C)c1ccc(s1)Cl cbec15c9088f638eeacfea1439ce8ea4 [0,2,0,0,0,0|2,0,0]=4 9055 B12R1.29 COCN[C@@H](C)c1cc(cs1)Br 392590a6fabdef003c90b1c3265a78f4 [0,2,0,0,0,0|2,0,0]=4 9056 B12R1.29 COCN[C@@H](C)c1ccc(s1)C a3c1f2fffe0bd6678c0a8394af54b9da [0,2,0,0,0,0|2,0,0]=4 9057 B12R1.29 COCN[C@H](C)c1cc(cs1)Br 2728a871590e0bc22e2c654a142c5297 [0,2,0,0,0,0|2,0,0]=4 9058 B12R1.29 COCN[C@H](C)c1ccc(s1)Br e59804300c58495f07b104f5cc9fc9f3 [0,2,0,0,0,0|2,0,0]=4 9059 B12R1.29 COCN[C@H](C)c1ccc(s1)Cl fcfdcfb448677475478c0023fa892947 [0,2,0,0,0,0|2,0,0]=4 9060 B12R1.29 COCOC(C)c1cc(cs1)Br 4485f23a3cb6f18b26f3e4cf8f4329c6 [0,2,0,0,0,0|2,0,0]=4 9061 B12R1.29 COCO[C@@H](C)c1cc(cs1)Br 88f6447ccd4e276559b1221ba89a9a5b [0,2,0,0,0,0|2,0,0]=4 9062 B12R1.29 COCO[C@H](C)c1cc(cs1)Br cacbe9ecca54bdf14b353509eef2252b [0,2,0,0,0,0|2,0,0]=4 9063 B12R1.29 COCO[C@H](C)c1ccc(s1)C 537a34ce4bcb349d6ddd4ed5f15e3a4f [0,2,0,0,0,0|2,0,0]=4 9064 B12R1.29 CSCNC(C)c1ccc(s1)Br d80bfb6b1e5b31aeabcde03d3262705b [0,2,0,0,0,0|2,0,0]=4 9065 B12R1.29 CSCNC(C)c1ccc(s1)Cl 012bf7b286709e247a81a4eab144e432 [0,2,0,0,0,0|2,0,0]=4 9066 B12R1.29 CSCN[C@@H](C)c1cc(cs1)Br 72069f2d24d397c48e07c780655b91d7 [0,2,0,0,0,0|2,0,0]=4 9067 B12R1.29 CSCN[C@@H](C)c1ccc(s1)C dbf430c9f060ce4e30f2b5bbc084e240 [0,2,0,0,0,0|2,0,0]=4 9068 B12R1.29 CSCN[C@H](C)c1cc(cs1)Br 15bec65209a9415c4a30c0b85ed8fd6b [0,2,0,0,0,0|2,0,0]=4 9069 B12R1.29 CSCN[C@H](C)c1ccc(s1)Br 4bfe7c68cb774bbb02e1fa5dc67f5777 [0,2,0,0,0,0|2,0,0]=4 9070 B12R1.29 CSCN[C@H](C)c1ccc(s1)Cl ee609c5519164d106e0bbbbe0524d266 [0,2,0,0,0,0|2,0,0]=4 9071 B12R1.29 CSCOC(C)c1cc(cs1)Br 20b2db8c38f2a0d5192b9b51351853d9 [0,2,0,0,0,0|2,0,0]=4 9072 B12R1.29 CSCOC(C)c1ccc(s1)Cl b3418930f0fea109f12b2608afff00b0 [0,2,0,0,0,0|2,0,0]=4 9073 B12R1.29 CSCO[C@@H](C)c1cc(cs1)Br e5f13c099994b886d2b54b27dd2502fb [0,2,0,0,0,0|2,0,0]=4 9074 B12R1.29 CSCO[C@H](C)c1cc(cs1)Br 06b0dd1e807984f69ac3d3003fdc2167 [0,2,0,0,0,0|2,0,0]=4 9075 B12R1.29 CSCO[C@H](C)c1ccc(s1)Br efbece0b6ba8632c1cad53160fd2414a [0,2,0,0,0,0|2,0,0]=4 9076 B12R1.29 CSCO[C@H](C)c1ccc(s1)C 853fa32ecfabbfb22b690644e03d91ca [0,2,0,0,0,0|2,0,0]=4 9077 B12R1.29 C[C@@H](NCCF)c1cc(cs1)Br 083f850e3c3e41740f434c89138d9545 [0,2,0,0,0,0|2,0,0]=4 9078 B12R1.29 C[C@@H](NCCF)c1ccc(s1)Br 7badadd2b38f5b70a8da30fc320a19e1 [0,2,0,0,0,0|2,0,0]=4 9079 B12R1.29 C[C@@H](NCCF)c1ccc(s1)Cl 497d9dbb38ddefaade2ff5de415257bd [0,2,0,0,0,0|2,0,0]=4 9080 B12R1.29 C[C@@H](NCCO)c1cc(cs1)Br c5358695a460e06d084c8493d47f0acf [0,2,0,0,0,0|2,0,0]=4 9081 B12R1.29 C[C@@H](NCCO)c1ccc(s1)Br e4d5a4dfc248c1f8b3f8076f592748ba [0,2,0,0,0,0|2,0,0]=4 9082 B12R1.29 C[C@@H](NCCO)c1ccc(s1)Cl c543404ada2067e22eeb66124f9175ca [0,2,0,0,0,0|2,0,0]=4 9083 B12R1.29 C[C@@H](NCCS)c1cc(cs1)Br 369902488393918397e4e183672c94bf [0,2,0,0,0,0|2,0,0]=4 9084 B12R1.29 C[C@@H](NCCS)c1ccc(s1)Br 339539956f8ecd480ac7df97a2255b47 [0,2,0,0,0,0|2,0,0]=4 9085 B12R1.29 C[C@@H](NCCS)c1ccc(s1)Cl 4dc07b6b9c5187bec2940c3ee83a6729 [0,2,0,0,0,0|2,0,0]=4 9086 B12R1.29 C[C@@H](OCCF)c1cc(cs1)Br 791c29158c7355debcd6eb4312643724 [0,2,0,0,0,0|2,0,0]=4 9087 B12R1.29 C[C@@H](OCCS)c1cc(cs1)Br 88fcdd648fa7dfee3c618a08db5f0917 [0,2,0,0,0,0|2,0,0]=4 9088 B12R1.29 C[C@@H](OCCS)c1ccc(s1)Br 2e0998329266940c58fa969ef4b67b2c [0,2,0,0,0,0|2,0,0]=4 9089 B12R1.29 C[C@H](NCCF)c1cc(cs1)Br 88f04dcf24c1299db9c7c936a211a877 [0,2,0,0,0,0|2,0,0]=4 9090 B12R1.29 C[C@H](NCCO)c1cc(cs1)Br b6a7b73959b84e7395f1dfe076271343 [0,2,0,0,0,0|2,0,0]=4 9091 B12R1.29 C[C@H](NCCS)c1cc(cs1)Br baa49921a088034608f9bb430439c289 [0,2,0,0,0,0|2,0,0]=4 9092 B12R1.29 C[C@H](OCCF)c1cc(cs1)Br ea9e50f1afd09f92db4e0f55dde0a212 [0,2,0,0,0,0|2,0,0]=4 9093 B12R1.29 C[C@H](OCCS)c1cc(cs1)Br e6ffe8f52dbd109e15a8aa0882529806 [0,2,0,0,0,0|2,0,0]=4 9094 B12R1.29 Cc1ccc(s1)[C@@H](C)OCCF a2bc58bf26e57eb7253e1fd154160fe1 [0,2,0,0,0,0|2,0,0]=4 9095 B12R1.29 Cc1ccc(s1)[C@@H](C)OCCS 3a597d24b16bc1a44dcbfefb7ebb2bb5 [0,2,0,0,0,0|2,0,0]=4 9096 B12R1.29 Cc1ccc(s1)[C@H](C)NCCF e93f56767965d4a666490416878dd5c6 [0,2,0,0,0,0|2,0,0]=4 9097 B12R1.29 Cc1ccc(s1)[C@H](C)NCCO e2585d5f23ec3ecca1263c298a56618a [0,2,0,0,0,0|2,0,0]=4 9098 B12R1.29 Cc1ccc(s1)[C@H](C)NCCS c2896983cdeefcf4d5b652e1b54e850b [0,2,0,0,0,0|2,0,0]=4 9099 B12R1.31 CCCC(=O)Nc1ccc(s1)Br bb5d9eb853bcfdd9630298c582a2ea81 [0,2,0,0,0,0|1,0,1]=4 9100 B12R1.31 CCCC(C)Nc1cc(ns1)C 8a2828dbf0bae2f43e47d66d8491d5ba [0,2,0,0,0,0|2,0,0]=4 9101 B12R1.31 CCCC(C)Nc1cnc(s1)Br fa27ca78e393ec77d3296a2fff4827ef [0,2,0,0,0,0|2,0,0]=4 9102 B12R1.31 CCCC(C)Nc1cnc(s1)N dc0e99fceebfe991d37ea926e035a36a [0,2,0,0,0,0|2,0,0]=4 9103 B12R1.31 CCCC(C)Nc1nc(cs1)C cae480530d2b2d96368ea6c96ee144fb [0,2,0,0,0,0|2,0,0]=4 9104 B12R1.31 CCCC(C)Nc1ncc(s1)F b7fcb6988f7b684a35b5e31ea32a4423 [0,2,0,0,0,0|2,0,0]=4 9105 B12R1.31 CCCC(C)Oc1cc(cs1)C 656e0784d06342eeb23d1a326394cc40 [0,2,0,0,0,0|1,0,0]=3 9106 B12R1.31 CCCC(C)Oc1ccc(s1)Br 141b49bb7e267fbba50b182d7dd69e87 [0,2,0,0,0,0|1,0,0]=3 9107 B12R1.31 CCCC(C)Oc1nc(cs1)Br 4a2cbd1e0456463a8bb14447bddf7621 [0,2,0,0,0,0|2,0,0]=4 9108 B12R1.31 CCCN(C)Cc1cc(cs1)Br 7354cc368c9dde90836766e64bd6f38f [0,2,0,0,0,0|1,0,0]=3 9109 B12R1.31 CCCN(C)Cc1cc(cs1)C dcf6c25bc397ebd03f5f621e6be829c7 [0,2,0,0,0,0|1,0,0]=3 9110 B12R1.31 CCCN(C)Cc1ccc(o1)C 15839253981b42133ad7172de1d73924 [0,2,0,0,0,0|1,1,0]=4 9111 B12R1.31 CCCN(C)Cc1ccc(s1)Br 184029621d18ce2f48ad06365430824e [0,2,0,0,0,0|1,0,0]=3 9112 B12R1.31 CCCN(C)Cc1ccc(s1)C 2a5d6d976feb7cca4b641d2ac27ba805 [0,2,0,0,0,0|1,0,0]=3 9113 B12R1.31 CCCN(C)Cc1ccc(s1)Cl fdb14bc091fa475ab59ef72eb97e11f0 [0,2,0,0,0,0|1,0,0]=3 9114 B12R1.31 CCCN(C)Cc1cnc(s1)Br e50699c8a4dc7503abc07c8226dc208f [0,2,0,0,0,0|2,0,0]=4 9115 B12R1.31 CCCN(C)Cc1cnc(s1)Cl 4350ded80778e234b54fe4342b43dc58 [0,2,0,0,0,0|2,0,0]=4 9116 B12R1.31 CCCN(C)Cc1nc(cs1)Br 1ec4116037cb61d422bbdb885ea468a3 [0,2,0,0,0,0|2,0,0]=4 9117 B12R1.31 CCCN(C)Cc1nc(cs1)C 8e51aab8b666c60a9cdc6f89a5dbf2ca [0,2,0,0,0,0|2,0,0]=4 9118 B12R1.31 CCCN(C)Cc1ncc(s1)Br f01db5a67a65e01f8a8b348300384942 [0,2,0,0,0,0|2,0,0]=4 9119 B12R1.31 CCCN(C)Cc1ncc(s1)C ff2774339764373cda6145963b154a82 [0,2,0,0,0,0|2,0,0]=4 9120 B12R1.31 CCCN(C)Cc1ncc(s1)Cl 105a349f5f1737497a884a25052f1431 [0,2,0,0,0,0|2,0,0]=4 9121 B12R1.31 CCC[C@H](C)Nc1cnc(s1)N d830cef607b1208f26cdcbe6235cc9ff [0,2,0,0,0,0|2,0,0]=4 9122 B12R1.31 CN(CCF)Cc1cc(cs1)Br 3f2d704f4f78f6e3c66b72bc6069f79b [0,2,0,0,0,0|2,0,0]=4 9123 B12R1.31 CN(CCF)Cc1ccc(s1)Br b23afd73b1cbedaaf0ee91a575de93ca [0,2,0,0,0,0|2,0,0]=4 9124 B12R1.31 CN(CCF)Cc1ccc(s1)Cl da96712292670d5fa4e11f73898b4f81 [0,2,0,0,0,0|2,0,0]=4 9125 B12R1.31 CN(CCO)Cc1cc(cs1)Br a618dbbfd16ccb02554b1042fcddf029 [0,2,0,0,0,0|2,0,0]=4 9126 B12R1.31 CN(CCO)Cc1ccc(s1)Br b2a6a4722d0e2eb67c9dcba086159db5 [0,2,0,0,0,0|2,0,0]=4 9127 B12R1.31 CN(CCO)Cc1ccc(s1)Cl 450dadc1674a8335f700a6ab803985dc [0,2,0,0,0,0|2,0,0]=4 9128 B12R1.31 CN(CCS)Cc1cc(cs1)Br ed71e1e799ab7d11892129d09d9f4bee [0,2,0,0,0,0|2,0,0]=4 9129 B12R1.31 CN(CCS)Cc1ccc(s1)Br 5d4422c00c3a5e8336177e1de008ec1f [0,2,0,0,0,0|2,0,0]=4 9130 B12R1.31 CN(CCS)Cc1ccc(s1)Cl 35328a82bf237d1a0074b2b3c80313c9 [0,2,0,0,0,0|2,0,0]=4 9131 B12R1.31 COCC(C)Nc1ccc(s1)Br 3f13fec0ce23f81402d9fbdb42c0be63 [0,2,0,0,0,0|2,0,0]=4 9132 B12R1.31 COCC(C)Nc1ccc(s1)C 8817aa0df2f40fed2de55059d2c8c2c5 [0,2,0,0,0,0|2,0,0]=4 9133 B12R1.31 COCC(C)Nc1ccc(s1)F a8703e18487d6fcc53c3ab29c0d10dea [0,2,0,0,0,0|2,0,0]=4 9134 B12R1.31 COCC(C)Oc1cc(cs1)C e44942b83c0e659d29f4a36379e545ca [0,2,0,0,0,0|2,0,0]=4 9135 B12R1.31 COCC(C)Oc1ccc(s1)Br 7c955b7e76f0ea4154131f8a30d84b7d [0,2,0,0,0,0|2,0,0]=4 9136 B12R1.31 COCN(C)Cc1cc(cs1)Br 19aa21ad4bb79486efd5cdcf87d321fd [0,2,0,0,0,0|2,0,0]=4 9137 B12R1.31 COCN(C)Cc1cc(cs1)C 559f4fb9c8a72f8d3d10343e6ddffb39 [0,2,0,0,0,0|2,0,0]=4 9138 B12R1.31 COCN(C)Cc1ccc(s1)Br faf41bb071356dcc82c90b8728ae9017 [0,2,0,0,0,0|2,0,0]=4 9139 B12R1.31 COCN(C)Cc1ccc(s1)C 746dff8d78b8b27391acf07cbd13b6f3 [0,2,0,0,0,0|2,0,0]=4 9140 B12R1.31 COCN(C)Cc1ccc(s1)Cl b5087769e708c2509a06791784c4bc6c [0,2,0,0,0,0|2,0,0]=4 9141 B12R1.31 COC[C@@H](C)Nc1ccc(s1)F 835ac8a568ded13f79879a06d77b77d1 [0,2,0,0,0,0|2,0,0]=4 9142 B12R1.31 COC[C@H](C)Nc1ccc(s1)F 99a84043af651c4e380e850159dbfdfc [0,2,0,0,0,0|2,0,0]=4 9143 B12R1.31 CSCN(C)Cc1cc(cs1)Br 8774bbfe6aa84e46274b4d82a098491f [0,2,0,0,0,0|2,0,0]=4 9144 B12R1.31 CSCN(C)Cc1cc(cs1)C 979e1ef47cab0f1b3c499608dd7e1457 [0,2,0,0,0,0|2,0,0]=4 9145 B12R1.31 CSCN(C)Cc1ccc(s1)C afb472f325bb0e2df5b4652e2344ba04 [0,2,0,0,0,0|2,0,0]=4 9146 B12R1.31 Cc1ccc(s1)CN(C)CCF 7d79373d9b3debfef9980bb2c0caf259 [0,2,0,0,0,0|2,0,0]=4 9147 B12R1.31 Cc1ccc(s1)CN(C)CCO 4139877dd572ced7c5dad9d66655b2c5 [0,2,0,0,0,0|2,0,0]=4 9148 B12R1.31 Cc1ccc(s1)CN(C)CCS 5a58e8ec0d09796eacd319a14ecd8bcf [0,2,0,0,0,0|2,0,0]=4 9149 B12R1.31 Cc1ccc(s1)NC(C)CCO 9935c02657d4a84be9102086734dbe7e [0,2,0,0,0,0|2,0,0]=4 9150 B12R1.31 Cc1csc(c1)CN(C)CCF 416e1cebc819227a4a22667a784a0631 [0,2,0,0,0,0|2,0,0]=4 9151 B12R1.31 Cc1csc(c1)CN(C)CCO ebc6a870b42830d9f43f27ee3238db6f [0,2,0,0,0,0|2,0,0]=4 9152 B12R1.31 Cc1csc(c1)CN(C)CCS c218af12940b96f5b37f2ad7a23cf667 [0,2,0,0,0,0|2,0,0]=4 9153 B12R1.105 C=C(C)CCNc1ccc(s1)Br ab4854a324d04aa8727a7c137043f8cc [0,2,0,0,0,0|1,0,1]=4 9154 B12R1.105 C=C(C)CCNc1ccc(s1)C 43a8e8f049601c85005259b23c815567 [0,2,0,0,0,0|1,0,1]=4 9155 B12R1.105 C=C(C)CCNc1ccc(s1)F 865297b45f6144f640df023b2ce95d9b [0,2,0,0,0,0|1,0,1]=4 9156 B12R1.105 C=C(C)CCOc1cc(cs1)C b418b53c2c8ef4bd4bc884c9bef567bf [0,2,0,0,0,0|1,0,1]=4 9157 B12R1.105 C=C(C)CCOc1ccc(s1)Br e08b8b2583bd4824b00a52e5b492e20f [0,2,0,0,0,0|1,0,1]=4 9158 B12R1.105 C=C(C)CNCc1cc(cs1)Br 009d4b2406fc50e52a9514f7b667172b [0,2,0,0,0,0|1,0,1]=4 9159 B12R1.105 C=C(C)CNCc1cc(cs1)C 7244c097289cbe9266c65ce1682a5e7b [0,2,0,0,0,0|1,0,1]=4 9160 B12R1.105 C=C(C)CNCc1cc(cs1)Cl c5ff437d6bd55ca1d15ee4f5864acc24 [0,2,0,0,0,0|1,0,1]=4 9161 B12R1.105 C=C(C)CNCc1ccc(s1)Br dc6889c2fc41b121ff8c2c9fe7f4be8f [0,2,0,0,0,0|1,0,1]=4 9162 B12R1.105 C=C(C)CNCc1ccc(s1)C 6318a623ce9323f702a73192b3f3ecb6 [0,2,0,0,0,0|1,0,1]=4 9163 B12R1.105 C=C(C)CNCc1ccc(s1)Cl ae3d7ea91f4a93738ea1d3134a6558b3 [0,2,0,0,0,0|1,0,1]=4 9164 B12R1.105 C=C(C)CNCc1ccc(s1)F f5634e1a2f41e4b5a7100e868e99b5ac [0,2,0,0,0,0|1,0,1]=4 9165 B12R1.105 C=C(C)COCc1cc(cs1)Br 32eeedd7ca0e413210f1009ea2979515 [0,2,0,0,0,0|1,0,1]=4 9166 B12R1.105 C=C(C)COCc1cc(cs1)C ad7aea42b29c8277b7f6f1c4fb66eb16 [0,2,0,0,0,0|1,0,1]=4 9167 B12R1.105 C=C(C)COCc1cc(cs1)Cl 39c9b02fed4c6c8836001e60e2cb015c [0,2,0,0,0,0|1,0,1]=4 9168 B12R1.105 C=C(C)COCc1ccc(s1)Br 1fd21112c58b412069c8484895bea75d [0,2,0,0,0,0|1,0,1]=4 9169 B12R1.105 C=C(C)COCc1ccc(s1)C 50c17416b31c6cef648c235a90962ef5 [0,2,0,0,0,0|1,0,1]=4 9170 B12R1.105 C=C(C)COCc1ccc(s1)Cl 6228d4e6ec5be23c0aa8a6033e695ed3 [0,2,0,0,0,0|1,0,1]=4 9171 B12R1.105 C=C(C)COCc1ccc(s1)F a79b9e09e25731dc93a18de40d205268 [0,2,0,0,0,0|1,0,1]=4 9172 B12R1.105 CC(=O)CCNc1ccc(s1)Br f93c60d519130dd8a4285bcbc2e70e50 [0,2,0,0,0,0|1,0,1]=4 9173 B12R1.105 CC(=O)CCNc1ccc(s1)C 46c4b7c31332949ee35b4535108f6ef7 [0,2,0,0,0,0|1,0,1]=4 9174 B12R1.105 CC(=O)CCOc1cc(cs1)C bfba57169091ae5ce7e7d152aada4bec [0,2,0,0,0,0|1,0,1]=4 9175 B12R1.105 CC(=O)CCOc1ccc(s1)Br 2269c1bec652aa7806dc09c200fc77e5 [0,2,0,0,0,0|1,0,1]=4 9176 B12R1.105 CC(=O)CNCc1cc(cs1)Br 3cdb97e37533203d2f196d3099edd228 [0,2,0,0,0,0|1,0,1]=4 9177 B12R1.105 CC(=O)CNCc1ccc(s1)Br c2ff2e73d7b4003823bfc1fe8efa5791 [0,2,0,0,0,0|1,0,1]=4 9178 B12R1.105 CC(=O)CNCc1ccc(s1)Cl d25ce649a2f579ccba0983ecb1bb6a53 [0,2,0,0,0,0|1,0,1]=4 9179 B12R1.105 CC(=O)COCc1cc(cs1)Br 836e0d65824447f4d1745656309b5e2c [0,2,0,0,0,0|1,0,1]=4 9180 B12R1.105 CC(=O)COCc1ccc(s1)Br 66827622e588e329c0ccda14d329a5a6 [0,2,0,0,0,0|1,0,1]=4 9181 B12R1.105 CC(=O)COCc1ccc(s1)Cl 3d83c1160d3f887a8001ea3ec24dac92 [0,2,0,0,0,0|1,0,1]=4 9182 B12R1.105 CC(=O)NCCc1ccc(s1)Br a0b2b99f536ee6e2b9d90a6a9b83004c [0,2,0,0,0,0|1,0,1]=4 9183 B12R1.105 CC(=O)NCCc1ccc(s1)C c9e2ebb4e9c51f1e96468b2a4fdce03b [0,2,0,0,0,0|1,0,1]=4 9184 B12R1.105 CC(C)CCNc1ccc(s1)Br 52665fe056456da844f803d018be774c [0,2,0,0,0,0|1,0,0]=3 9185 B12R1.105 CC(C)CCNc1ccc(s1)F 741283ba6af9a55a672631731172a828 [0,2,0,0,0,0|1,0,0]=3 9186 B12R1.105 CC(C)CCNc1cnc(s1)Br 4af35f6d436d8de46de6408f2c75d18c [0,2,0,0,0,0|2,0,0]=4 9187 B12R1.105 CC(C)CCNc1cnc(s1)N 2ee791d0d967238c790755f1a872b3d7 [0,2,0,0,0,0|2,0,0]=4 9188 B12R1.105 CC(C)CCNc1cnc(s1)S d3289dcf3324eba2dcd0a157e521ab1c [0,2,0,0,0,0|2,0,0]=4 9189 B12R1.105 CC(C)CCNc1nc(cs1)Br b6f6bde9bf6ef7145150293f0a1196eb [0,2,0,0,0,0|2,0,0]=4 9190 B12R1.105 CC(C)CCNc1nc(cs1)Cl db18fdbf1f4687bae40d82e9fe522427 [0,2,0,0,0,0|2,0,0]=4 9191 B12R1.105 CC(C)CCNc1ncc(s1)Br c48aefe2fc444bb15c30d2b588b329ef [0,2,0,0,0,0|2,0,0]=4 9192 B12R1.105 CC(C)CCNc1ncc(s1)Cl 20642b96477cdff441f20e0d978d9ec1 [0,2,0,0,0,0|2,0,0]=4 9193 B12R1.105 CC(C)CCNc1ncc(s1)F 8e2f80930689a8e8372934be32fdf26f [0,2,0,0,0,0|2,0,0]=4 9194 B12R1.105 CC(C)CCNc1ncc(s1)S 7ad5da3c54074d8caadf77645fc436cb [0,2,0,0,0,0|2,0,0]=4 9195 B12R1.105 CC(C)CCOc1ccc(s1)Br 4bc8952af7e340bcb60661c119b05b10 [0,2,0,0,0,0|1,0,0]=3 9196 B12R1.105 CC(C)CCOc1nc(cs1)Br e3e41bd4befa8176cb5a59c970f5157d [0,2,0,0,0,0|2,0,0]=4 9197 B12R1.105 CC(C)CNCc1cc(c[nH]1)Br 31985044f1a5f7ac386e531f40eb3161 [0,2,0,0,0,0|2,0,0]=4 9198 B12R1.105 CC(C)CNCc1cc(cs1)Br 907e47cc6dd22932f61f96c74632b248 [0,2,0,0,0,0|1,0,0]=3 9199 B12R1.105 CC(C)CNCc1cc(cs1)Cl bc3b2ba9ffde5bf888773f055c148199 [0,2,0,0,0,0|1,0,0]=3 9200 B12R1.105 CC(C)CNCc1cc(ns1)Br 4a878568f08bd3ed222a91a9277318c0 [0,2,0,0,0,0|2,0,0]=4 9201 B12R1.105 CC(C)CNCc1ccc(o1)Br 92fc1bb57e15147f20151b116326f44b [0,2,0,0,0,0|1,1,0]=4 9202 B12R1.105 CC(C)CNCc1ccc(s1)Br 706b752d9673d0bab0ea31c293635324 [0,2,0,0,0,0|1,0,0]=3 9203 B12R1.105 CC(C)CNCc1ccc(s1)Cl 59b61661be0089ce36a47ce09142d177 [0,2,0,0,0,0|1,0,0]=3 9204 B12R1.105 CC(C)CNCc1ccc(s1)F 98ade52a1febf47850b154f44a2494c7 [0,2,0,0,0,0|1,0,0]=3 9205 B12R1.105 CC(C)CNCc1cnc(s1)Br 87c0116208402e637f8cf436f7aa28b0 [0,2,0,0,0,0|2,0,0]=4 9206 B12R1.105 CC(C)CNCc1cnc(s1)Cl c38deefef650f66b80129b0349c27038 [0,2,0,0,0,0|2,0,0]=4 9207 B12R1.105 CC(C)CNCc1nc(cs1)Br f787f1384a35a1cb3904eecc17d9790f [0,2,0,0,0,0|2,0,0]=4 9208 B12R1.105 CC(C)CNCc1nc(cs1)Cl b1a7ba9727de8bce4a061e6afbe75b2b [0,2,0,0,0,0|2,0,0]=4 9209 B12R1.105 CC(C)CNCc1ncc(s1)Br e8ffe61cbf41e10614090ed15be4b036 [0,2,0,0,0,0|2,0,0]=4 9210 B12R1.105 CC(C)CNCc1ncc(s1)Cl 0eb8ee3b2e20da0259a2acd99d176724 [0,2,0,0,0,0|2,0,0]=4 9211 B12R1.105 CC(C)COCc1cc(co1)Br 6b8ef0654c9e053b8072254d67a385d0 [0,2,0,0,0,0|1,1,0]=4 9212 B12R1.105 CC(C)COCc1cc(cs1)Br e5781aa1e74c62c488b4fd49c3fc231e [0,2,0,0,0,0|1,0,0]=3 9213 B12R1.105 CC(C)COCc1cc(cs1)Cl 821878d82838a13e536caa2930bb39c3 [0,2,0,0,0,0|1,0,0]=3 9214 B12R1.105 CC(C)COCc1ccc(o1)Br 47a616c62292f9997e8fdd0845d31104 [0,2,0,0,0,0|1,1,0]=4 9215 B12R1.105 CC(C)COCc1ccc(s1)Br 41c9a2a54068022468a723f0752fe12a [0,2,0,0,0,0|1,0,0]=3 9216 B12R1.105 CC(C)COCc1ccc(s1)Cl 59e2b6e050b03bdd4323d7e5168727d1 [0,2,0,0,0,0|1,0,0]=3 9217 B12R1.105 CC(C)COCc1ccc(s1)F 3d6c01e6ae70e32b4895bfbb520ce12e [0,2,0,0,0,0|1,0,0]=3 9218 B12R1.105 CC(C)COCc1cnc(s1)Br f3e43707ea2ad073da421b7a8787f86c [0,2,0,0,0,0|2,0,0]=4 9219 B12R1.105 CC(C)COCc1cnc(s1)Cl a51da6c7b1b2ff535b6901eaa400fd5a [0,2,0,0,0,0|2,0,0]=4 9220 B12R1.105 CC(C)COCc1nc(cs1)Br 342c7f135e3533d4b877a0ef96682893 [0,2,0,0,0,0|2,0,0]=4 9221 B12R1.105 CC(C)COCc1ncc(s1)Br a2ecfeb6110e047b462c1c36bc78b50e [0,2,0,0,0,0|2,0,0]=4 9222 B12R1.105 CC(C)COCc1ncc(s1)Cl bd0d8f889081ebdca0609a0b254c4594 [0,2,0,0,0,0|2,0,0]=4 9223 B12R1.105 CC(C)NCCc1ccc(s1)Br 98e12df2f08a79992531795c590c1578 [0,2,0,0,0,0|1,0,0]=3 9224 B12R1.105 CC(C)OCCc1nc(cs1)Br 37f60aa214507f5fb56f37957fbda7db [0,2,0,0,0,0|2,0,0]=4 9225 B12R1.105 CC(C)OCNc1ccc(s1)Br 9044da841e4be62600357e40432482d2 [0,2,0,0,0,0|2,0,0]=4 9226 B12R1.105 CC(C)OCOc1ccc(s1)Br de59b75ff679031d2a23ea3d29118add [0,2,0,0,0,0|2,0,0]=4 9227 B12R1.105 CC(F)COCc1cc(cs1)Br 9da52de54ac07495408acd0e787d1378 [0,2,0,0,0,0|1,0,0]=3 9228 B12R1.105 CC(F)COCc1ccc(s1)Br b51f972251a77b0dd2527ca4f0df417d [0,2,0,0,0,0|1,0,0]=3 9229 B12R1.105 CC(F)COCc1ccc(s1)Cl e87cc619ea099f7468c9ed1312af2a99 [0,2,0,0,0,0|1,0,0]=3 9230 B12R1.105 CC(F)COCc1cnc(s1)Br 1aee055fa5946e364a918e4adabbcfe5 [0,2,0,0,0,0|2,0,0]=4 9231 B12R1.105 CC(F)COCc1cnc(s1)Cl 0ec2374b901e5efa8449d4c42aef137d [0,2,0,0,0,0|2,0,0]=4 9232 B12R1.105 CC(F)COCc1nc(cs1)Br d2c3dbceabb103af2c47067e569acaff [0,2,0,0,0,0|2,0,0]=4 9233 B12R1.105 CC(F)COCc1ncc(s1)Br 26af8d05a95625ff0afb6a5944c08952 [0,2,0,0,0,0|2,0,0]=4 9234 B12R1.105 CC(F)COCc1ncc(s1)Cl 0e46384d40840bf6bced4e4d58f3e431 [0,2,0,0,0,0|2,0,0]=4 9235 B12R1.105 CC(O)CCNc1ccc(s1)Br dea2768b1fdfbae238585fef414839ac [0,2,0,0,0,0|1,0,0]=3 9236 B12R1.105 CC(O)CCNc1ccc(s1)F fbc39909b1f396ebd4209c9d6cbf5c76 [0,2,0,0,0,0|1,0,0]=3 9237 B12R1.105 CC(O)CCNc1cnc(s1)Br bd802d5d7eeac2970f7f75b9e00f6bcf [0,2,0,0,0,0|2,0,0]=4 9238 B12R1.105 CC(O)CCNc1cnc(s1)N df1008fc30f64b62dfee7e14e08a5cae [0,2,0,0,0,0|2,0,0]=4 9239 B12R1.105 CC(O)CCNc1cnc(s1)S eb605e6032c0459e86de809fffe5a00e [0,2,0,0,0,0|2,0,0]=4 9240 B12R1.105 CC(O)CCNc1nc(cs1)Br bd1afcf8aa35b987d0f2410021c835e1 [0,2,0,0,0,0|2,0,0]=4 9241 B12R1.105 CC(O)CCNc1nc(cs1)Cl 18b418f1e35b5bab4e74c07156e1a26a [0,2,0,0,0,0|2,0,0]=4 9242 B12R1.105 CC(O)CCNc1ncc(s1)Br 1ffd7a86e278f890691af7d100a5576f [0,2,0,0,0,0|2,0,0]=4 9243 B12R1.105 CC(O)CCNc1ncc(s1)Cl 4846588125879d5bc40d7c93f9686b09 [0,2,0,0,0,0|2,0,0]=4 9244 B12R1.105 CC(O)CCNc1ncc(s1)F d8dff417173c274ba3df4209fe0cd9e1 [0,2,0,0,0,0|2,0,0]=4 9245 B12R1.105 CC(O)CNCc1cc(c[nH]1)Br 39a3686b78f3d598afcf1ab084f3c8d3 [0,2,0,0,0,0|2,0,0]=4 9246 B12R1.105 CC(O)CNCc1cc(cs1)Br d36a0f5d359cba7799800835673adaa0 [0,2,0,0,0,0|1,0,0]=3 9247 B12R1.105 CC(O)CNCc1cc(cs1)Cl 84a9f52795d99df0765cdac57b160df3 [0,2,0,0,0,0|1,0,0]=3 9248 B12R1.105 CC(O)CNCc1cc(ns1)Br 5bc63966177906bfb9fd009fb3c3cda6 [0,2,0,0,0,0|2,0,0]=4 9249 B12R1.105 CC(O)CNCc1ccc(o1)Br 6f549d69cda1769b645d5d28f4804e31 [0,2,0,0,0,0|1,1,0]=4 9250 B12R1.105 CC(O)CNCc1ccc(s1)Br 4ae5d8f4fc00ceb3f7c8b9fde2007c3d [0,2,0,0,0,0|1,0,0]=3 9251 B12R1.105 CC(O)CNCc1ccc(s1)Cl 3fb3206e6077c1aff8db299a23fbd3ec [0,2,0,0,0,0|1,0,0]=3 9252 B12R1.105 CC(O)CNCc1ccc(s1)F c36f802a6a577e941a5dd25854b03043 [0,2,0,0,0,0|1,0,0]=3 9253 B12R1.105 CC(O)CNCc1cnc(s1)Br 062834573a8cd4469c68317467128386 [0,2,0,0,0,0|2,0,0]=4 9254 B12R1.105 CC(O)CNCc1cnc(s1)Cl b911afc08c4c4cb06799f4c2001f49b4 [0,2,0,0,0,0|2,0,0]=4 9255 B12R1.105 CC(O)CNCc1nc(cs1)Br 209261bbdb61caccd4a47ec89ff54d6f [0,2,0,0,0,0|2,0,0]=4 9256 B12R1.105 CC(O)CNCc1nc(cs1)Cl 7089eb828c34852e9572b136dd26ce93 [0,2,0,0,0,0|2,0,0]=4 9257 B12R1.105 CC(O)CNCc1ncc(s1)Br 1b56ab50a525c0c3042c9df1f27d95fe [0,2,0,0,0,0|2,0,0]=4 9258 B12R1.105 CC(O)CNCc1ncc(s1)Cl d723fd1858a0a68e1a9cbc24853b5464 [0,2,0,0,0,0|2,0,0]=4 9259 B12R1.105 CC(S)COCc1cc(cs1)Br 0e3f89aa5050bf4e07bb9fdee2a301c0 [0,2,0,0,0,0|1,0,0]=3 9260 B12R1.105 CC(S)COCc1ccc(s1)Br 7d7dae54d13e039e8547e0cbe847ddfc [0,2,0,0,0,0|1,0,0]=3 9261 B12R1.105 CC(S)COCc1ccc(s1)Cl f491baa7f4ebd6eb9a5394e580ee5e9d [0,2,0,0,0,0|1,0,0]=3 9262 B12R1.105 CC(S)COCc1cnc(s1)Br ca40590ea24c9a594f790c2d3be479df [0,2,0,0,0,0|2,0,0]=4 9263 B12R1.105 CC(S)COCc1cnc(s1)Cl 369ee16e3db0deb899e0f41e479616df [0,2,0,0,0,0|2,0,0]=4 9264 B12R1.105 CC(S)COCc1nc(cs1)Br c689e1c027c21d02591c52cfbe418ff5 [0,2,0,0,0,0|2,0,0]=4 9265 B12R1.105 CC(S)COCc1ncc(s1)Br 8cacc14cd2b16817046b1fcf23087928 [0,2,0,0,0,0|2,0,0]=4 9266 B12R1.105 CC(S)COCc1ncc(s1)Cl faf06c96acc99680990620ab196233cc [0,2,0,0,0,0|2,0,0]=4 9267 B12R1.105 CN(C)CCNc1ccc(s1)Br b31ad72175fafcfac86cbf68b8ca8f48 [0,2,0,0,0,0|2,0,0]=4 9268 B12R1.105 CN(C)CCNc1ccc(s1)F 969b01344914252a15030e1fe0dc6db2 [0,2,0,0,0,0|2,0,0]=4 9269 B12R1.105 CN(C)CCOc1ccc(s1)Br 6147cf692f5cb6d33016c91259565a0f [0,2,0,0,0,0|2,0,0]=4 9270 B12R1.105 CN(C)CNCc1cc(cs1)Br 71f75a8b9dd77b5247799414953df9ff [0,2,0,0,0,0|2,0,0]=4 9271 B12R1.105 CN(C)CNCc1ccc(s1)Cl 9d90bb1af4ddffc2c073bcc61f34a061 [0,2,0,0,0,0|2,0,0]=4 9272 B12R1.105 CN(C)CNCc1ccc(s1)F 6d0609b39a0dc5816132215fe0bdee78 [0,2,0,0,0,0|2,0,0]=4 9273 B12R1.105 CN(C)COCc1cc(cs1)Br 4a3b7ebc5d22262aede40a17a7edd2cc [0,2,0,0,0,0|2,0,0]=4 9274 B12R1.105 CN(C)COCc1cc(cs1)Cl 7e52e2c6d408779d3aad38c98ed22b63 [0,2,0,0,0,0|2,0,0]=4 9275 B12R1.105 CS(=O)CCNc1ccc(s1)Br 64c5c02d25d5426124f439a04d381a75 [0,2,0,0,0,0|2,0,0]=4 9276 B12R1.105 CS(=O)CCNc1ccc(s1)F e16201a62db6ec9b5869280795707dcd [0,2,0,0,0,0|2,0,0]=4 9277 B12R1.105 CS(=O)CCOc1ccc(s1)Br 90876034e7e9edbfa13df2a98af39baa [0,2,0,0,0,0|2,0,0]=4 9278 B12R1.105 C[C@@H](F)COCc1cc(cs1)Br 7e18dbfaed358e59b7b8d87402535183 [0,2,0,0,0,0|1,0,0]=3 9279 B12R1.105 C[C@@H](F)COCc1ccc(s1)Br df6bb64de097d7dc3953ed36bba89419 [0,2,0,0,0,0|1,0,0]=3 9280 B12R1.105 C[C@@H](F)COCc1ccc(s1)Cl 9ab90f60dce356534c15bfd9b118ea4c [0,2,0,0,0,0|1,0,0]=3 9281 B12R1.105 C[C@@H](F)COCc1cnc(s1)Br cc4de922868ea4f6d37340e32170bf87 [0,2,0,0,0,0|2,0,0]=4 9282 B12R1.105 C[C@@H](F)COCc1cnc(s1)Cl fe438d5f11119fbc07ceb4a7d5fdc79f [0,2,0,0,0,0|2,0,0]=4 9283 B12R1.105 C[C@@H](F)COCc1nc(cs1)Br 212ddc4fbf3aab6e425cd40d7d718111 [0,2,0,0,0,0|2,0,0]=4 9284 B12R1.105 C[C@@H](F)COCc1ncc(s1)Br 684c7642bf03d8a60d752af55dbceacc [0,2,0,0,0,0|2,0,0]=4 9285 B12R1.105 C[C@@H](F)COCc1ncc(s1)Cl 01d17758844a014b06f052c15596d793 [0,2,0,0,0,0|2,0,0]=4 9286 B12R1.105 C[C@@H](O)CCNc1ccc(s1)F 248a0ca773beece4b35ece5fa794705a [0,2,0,0,0,0|1,0,0]=3 9287 B12R1.105 C[C@@H](O)CCNc1cnc(s1)N 3252fd29bbf4280e75871e39d328c5fd [0,2,0,0,0,0|2,0,0]=4 9288 B12R1.105 C[C@@H](O)CNCc1cc(c[nH]1)Br 33c90ac7522e86f5b439f54641fb8409 [0,2,0,0,0,0|2,0,0]=4 9289 B12R1.105 C[C@@H](O)CNCc1cc(cs1)Br 30b8c2d7c935c6583d4dcacd1b2c2d2a [0,2,0,0,0,0|1,0,0]=3 9290 B12R1.105 C[C@@H](O)CNCc1ccc(o1)Br e4678440463146daecf5f9f1b8e7c300 [0,2,0,0,0,0|1,1,0]=4 9291 B12R1.105 C[C@@H](O)CNCc1ccc(s1)Br 230844135c6bab508a0bc5bf9996d43b [0,2,0,0,0,0|1,0,0]=3 9292 B12R1.105 C[C@@H](O)CNCc1ccc(s1)Cl 2524915d30d92fd43cdc9b4069d639d2 [0,2,0,0,0,0|1,0,0]=3 9293 B12R1.105 C[C@@H](O)CNCc1cnc(s1)Br 088cc43ef32738a965ee487226a3361d [0,2,0,0,0,0|2,0,0]=4 9294 B12R1.105 C[C@@H](O)CNCc1cnc(s1)Cl d099274a0abaf2bb8ea5eda91186bc69 [0,2,0,0,0,0|2,0,0]=4 9295 B12R1.105 C[C@@H](O)CNCc1nc(cs1)Br d468e5b63f99cae2f75b2aae54d16ab4 [0,2,0,0,0,0|2,0,0]=4 9296 B12R1.105 C[C@@H](O)CNCc1nc(cs1)Cl cb9405c8fc0ecd713832b353b204ef6b [0,2,0,0,0,0|2,0,0]=4 9297 B12R1.105 C[C@@H](O)CNCc1ncc(s1)Br d39999d6e644266c9ffdeb5b8d7a8314 [0,2,0,0,0,0|2,0,0]=4 9298 B12R1.105 C[C@@H](O)CNCc1ncc(s1)Cl 2fce48338db190e30d9dce9c1eb18451 [0,2,0,0,0,0|2,0,0]=4 9299 B12R1.105 C[C@H](F)COCc1cc(cs1)Br bd96e0bda1c7915e81ca41d20a2052e8 [0,2,0,0,0,0|1,0,0]=3 9300 B12R1.105 C[C@H](F)COCc1ccc(s1)Br db12a3df26309db8a7a1589f1d95879a [0,2,0,0,0,0|1,0,0]=3 9301 B12R1.105 C[C@H](F)COCc1ccc(s1)Cl 01292d0febcdf1aa97b81298724969e2 [0,2,0,0,0,0|1,0,0]=3 9302 B12R1.105 C[C@H](F)COCc1cnc(s1)Br 52784f77300e4a493dbff1329bc80931 [0,2,0,0,0,0|2,0,0]=4 9303 B12R1.105 C[C@H](F)COCc1cnc(s1)Cl 351f1a12b6a69ef21db119fdc70eeaed [0,2,0,0,0,0|2,0,0]=4 9304 B12R1.105 C[C@H](F)COCc1nc(cs1)Br 12a0ad37a31225ec7ccd196c1638fc58 [0,2,0,0,0,0|2,0,0]=4 9305 B12R1.105 C[C@H](F)COCc1ncc(s1)Br 0131d9e82999d39ab5fe286388e018d7 [0,2,0,0,0,0|2,0,0]=4 9306 B12R1.105 C[C@H](F)COCc1ncc(s1)Cl 31c18744a05f97090f170bc9dac53c3e [0,2,0,0,0,0|2,0,0]=4 9307 B12R1.105 C[C@H](O)CCNc1ccc(s1)F a85199e696803a45f442e156ada8515f [0,2,0,0,0,0|1,0,0]=3 9308 B12R1.105 C[C@H](O)CCNc1cnc(s1)N 8508b60f00469fb21988653118c2d26c [0,2,0,0,0,0|2,0,0]=4 9309 B12R1.105 C[C@H](O)CNCc1cc(c[nH]1)Br 5f59ed654e0eb53de78a605d2197ba4a [0,2,0,0,0,0|2,0,0]=4 9310 B12R1.105 C[C@H](O)CNCc1cc(cs1)Br dbeaf363f057bf514939c8504ba4dd81 [0,2,0,0,0,0|1,0,0]=3 9311 B12R1.105 C[C@H](O)CNCc1cc(cs1)Cl 956950dd23bd3d72cde404f0f62f2b40 [0,2,0,0,0,0|1,0,0]=3 9312 B12R1.105 C[C@H](O)CNCc1cc(ns1)Br 4b032f5a2825219c40671724f46e40f9 [0,2,0,0,0,0|2,0,0]=4 9313 B12R1.105 C[C@H](O)CNCc1ccc(o1)Br 86c24e5be497bbef913ed19e061ccd2f [0,2,0,0,0,0|1,1,0]=4 9314 B12R1.105 C[C@H](O)CNCc1ccc(s1)Br cab1e2c1dc48119d99e9b758df7bc590 [0,2,0,0,0,0|1,0,0]=3 9315 B12R1.105 C[C@H](O)CNCc1ccc(s1)Cl 2e1c75b8266704c7ac9a3318f8291790 [0,2,0,0,0,0|1,0,0]=3 9316 B12R1.105 C[C@H](O)CNCc1ccc(s1)F db4169fbd0a3b608d205ae7f11e40f2b [0,2,0,0,0,0|1,0,0]=3 9317 B12R1.105 C[C@H](O)CNCc1cnc(s1)Br 47e4e1b3b2e4e27b4d0a6260562fc451 [0,2,0,0,0,0|2,0,0]=4 9318 B12R1.105 C[C@H](O)CNCc1cnc(s1)Cl 4bbcc5055c9e91a86d3c4c3c64164470 [0,2,0,0,0,0|2,0,0]=4 9319 B12R1.105 C[C@H](O)CNCc1nc(cs1)Br 60cae6fc1621e74a4f098c4e881809e4 [0,2,0,0,0,0|2,0,0]=4 9320 B12R1.105 C[C@H](O)CNCc1nc(cs1)Cl f7091c97fba3e29ffc18dc939c28c6c6 [0,2,0,0,0,0|2,0,0]=4 9321 B12R1.105 C[C@H](O)CNCc1ncc(s1)Br ccbd9a2f96f78e85cae4c901d12dd7ca [0,2,0,0,0,0|2,0,0]=4 9322 B12R1.105 C[C@H](O)CNCc1ncc(s1)Cl 07b206c1dde3c16b65704a4e1552a22a [0,2,0,0,0,0|2,0,0]=4 9323 B12R1.105 Cc1cc(sn1)CNCC(C)C b7107fc8ccb0d53e9ba7f599cc4581fb [0,2,0,0,0,0|2,0,0]=4 9324 B12R1.105 Cc1cc(sn1)CNCC(C)O 2551989e5b934dcc466d208b43ef7822 [0,2,0,0,0,0|2,0,0]=4 9325 B12R1.105 Cc1cc(sn1)CNC[C@H](C)O c35244da037005cd64de27551e5a400b [0,2,0,0,0,0|2,0,0]=4 9326 B12R1.105 Cc1cc(sn1)NCCC(C)C 52c83a1489a2a3bb97c52f525037747e [0,2,0,0,0,0|2,0,0]=4 9327 B12R1.105 Cc1cc(sn1)NCCC(C)O eb276d80584069ac7671af765b771a50 [0,2,0,0,0,0|2,0,0]=4 9328 B12R1.105 Cc1cc(sn1)NCC[C@@H](C)O 54b4dd84ff10f779f05165d988e7e31d [0,2,0,0,0,0|2,0,0]=4 9329 B12R1.105 Cc1cc(sn1)NCC[C@H](C)O 766b23d369ad99250fbb8027a002b424 [0,2,0,0,0,0|2,0,0]=4 9330 B12R1.105 Cc1ccc(o1)CCNC(C)C b2ee7cbae6ede6e6184fc6d0b380ccc8 [0,2,0,0,0,0|1,1,0]=4 9331 B12R1.105 Cc1ccc(o1)CCOC(C)C db215aa95f6116e9a2507eef8a5e6e57 [0,2,0,0,0,0|1,1,0]=4 9332 B12R1.105 Cc1ccc(o1)CNCC(C)C 1f90d7f8b2d56a96cb9415d86f4aea90 [0,2,0,0,0,0|1,1,0]=4 9333 B12R1.105 Cc1ccc(o1)CNCC(C)O 6a772e92021d46963194038b2175a113 [0,2,0,0,0,0|1,1,0]=4 9334 B12R1.105 Cc1ccc(o1)CNC[C@@H](C)O 5125fe5c2df2c227fbf36e7cda267273 [0,2,0,0,0,0|1,1,0]=4 9335 B12R1.105 Cc1ccc(o1)CNC[C@H](C)O 36704b8bd9b2416488edc5869bca1a03 [0,2,0,0,0,0|1,1,0]=4 9336 B12R1.105 Cc1ccc(o1)COCC(C)C 089baad180046fcd6da66e44d56848a1 [0,2,0,0,0,0|1,1,0]=4 9337 B12R1.105 Cc1ccc(o1)NCCC(C)C e5c07e37a2a9e483cb96b9bebe54aabe [0,2,0,0,0,0|1,1,0]=4 9338 B12R1.105 Cc1ccc(o1)NCCC(C)O 6598c16ab58cfbe5d9a26936b9c29572 [0,2,0,0,0,0|1,1,0]=4 9339 B12R1.105 Cc1ccc(o1)NCC[C@@H](C)O 3fe5b979ecf84822bb474b89217b98ed [0,2,0,0,0,0|1,1,0]=4 9340 B12R1.105 Cc1ccc(o1)NCC[C@H](C)O a04b7b14f4ede1c5ef45f9526148d4a5 [0,2,0,0,0,0|1,1,0]=4 9341 B12R1.105 Cc1ccc(s1)CCNC(C)C c228fcb4b31bbf30d81b660fe3a54c99 [0,2,0,0,0,0|1,0,0]=3 9342 B12R1.105 Cc1ccc(s1)CNCC(C)C cf0c224ff9f426b6a1957f92149c7532 [0,2,0,0,0,0|1,0,0]=3 9343 B12R1.105 Cc1ccc(s1)CNCC(C)O 3d2a325b1646d4ed1f167bc8b5e0c775 [0,2,0,0,0,0|1,0,0]=3 9344 B12R1.105 Cc1ccc(s1)CNCC(F)F 398389b1b53e705902739a5571fc3578 [0,2,0,0,0,0|2,0,0]=4 9345 B12R1.105 Cc1ccc(s1)CNCN(C)C c78e0130edc36f9b89002d349f5efe41 [0,2,0,0,0,0|2,0,0]=4 9346 B12R1.105 Cc1ccc(s1)CNC[C@@H](C)O dd4e59fc541e111143881be68ab8fd00 [0,2,0,0,0,0|1,0,0]=3 9347 B12R1.105 Cc1ccc(s1)CNC[C@H](C)O 784409994471a543a869ff27995466e3 [0,2,0,0,0,0|1,0,0]=3 9348 B12R1.105 Cc1ccc(s1)COCC(C)C 08bc932023e0d5585e3f6212ac6b9bb6 [0,2,0,0,0,0|1,0,0]=3 9349 B12R1.105 Cc1ccc(s1)COCC(F)F 0ebc2cf18ec2c4ae9abe09d94ff27081 [0,2,0,0,0,0|2,0,0]=4 9350 B12R1.105 Cc1ccc(s1)COCN(C)C a153ecc6daa993f43e817153b8e0d7b9 [0,2,0,0,0,0|2,0,0]=4 9351 B12R1.105 Cc1ccc(s1)NCCC(C)C e2173d8494548bf3bce5232eea216ce9 [0,2,0,0,0,0|1,0,0]=3 9352 B12R1.105 Cc1ccc(s1)NCCC(C)O 0a54dd0fc9c158938f3a8613cb03c68a [0,2,0,0,0,0|1,0,0]=3 9353 B12R1.105 Cc1ccc(s1)NCCC(F)F 8ac8dba27eba225010c70b5af02e06d5 [0,2,0,0,0,0|2,0,0]=4 9354 B12R1.105 Cc1ccc(s1)NCCN(C)C 7a9f46a9a77785a21451e0109dcb4f4b [0,2,0,0,0,0|2,0,0]=4 9355 B12R1.105 Cc1ccc(s1)NCCS(=O)C 3f142a7413780c8a434f327e226eb341 [0,2,0,0,0,0|2,0,0]=4 9356 B12R1.105 Cc1ccc(s1)NCC[C@@H](C)O e1b866b06a10329068fd9c421225f500 [0,2,0,0,0,0|1,0,0]=3 9357 B12R1.105 Cc1ccc(s1)NCC[C@H](C)O 771c3fa9a70bf6097c811536c2233f70 [0,2,0,0,0,0|1,0,0]=3 9358 B12R1.105 Cc1ccc(s1)NCOC(C)C 31d963b4227fbb95562a472176e41bb3 [0,2,0,0,0,0|2,0,0]=4 9359 B12R1.105 Cc1cnc(s1)CNCC(C)C 0f5a34efc8f05286f7d4c913e40199da [0,2,0,0,0,0|2,0,0]=4 9360 B12R1.105 Cc1cnc(s1)CNCC(C)O c3b36e9370ec6b2c124be1dfb927adb4 [0,2,0,0,0,0|2,0,0]=4 9361 B12R1.105 Cc1cnc(s1)CNC[C@@H](C)O bd851241fc077c26889787ac756b7903 [0,2,0,0,0,0|2,0,0]=4 9362 B12R1.105 Cc1cnc(s1)CNC[C@H](C)O be7e69516a7622ffc9aefefe8ad4e726 [0,2,0,0,0,0|2,0,0]=4 9363 B12R1.105 Cc1cnc(s1)COCC(C)C 04716ddfdc049359bc10627f0029df6e [0,2,0,0,0,0|2,0,0]=4 9364 B12R1.105 Cc1cnc(s1)NCCC(C)C c1ae579dfbead2189c0b4ef9029ccf6f [0,2,0,0,0,0|2,0,0]=4 9365 B12R1.105 Cc1cnc(s1)NCCC(C)O b846525770cc36d16777168528e5dcf6 [0,2,0,0,0,0|2,0,0]=4 9366 B12R1.105 Cc1coc(c1)CNCC(C)C bd0fca1955cfa6a46a57e4383cc3879e [0,2,0,0,0,0|1,1,0]=4 9367 B12R1.105 Cc1coc(c1)CNCC(C)O e610a40eefd72c2ed82f32140feadd9f [0,2,0,0,0,0|1,1,0]=4 9368 B12R1.105 Cc1coc(c1)CNC[C@@H](C)O 640b14cb028f3ae1b5ca100dd6c8a15b [0,2,0,0,0,0|1,1,0]=4 9369 B12R1.105 Cc1coc(c1)CNC[C@H](C)O 8ec2a14c75b7aa61b45bf0edc58331c8 [0,2,0,0,0,0|1,1,0]=4 9370 B12R1.105 Cc1csc(c1)CNCC(C)C f34bdf2d20aeb9a7b8e95bd1f322b22f [0,2,0,0,0,0|1,0,0]=3 9371 B12R1.105 Cc1csc(c1)CNCC(C)O ad79c8bb889bed5d7ff41eb5fbaebec1 [0,2,0,0,0,0|1,0,0]=3 9372 B12R1.105 Cc1csc(c1)CNCC(F)F 66725dc9f955e35391a1fa3433b0efdb [0,2,0,0,0,0|2,0,0]=4 9373 B12R1.105 Cc1csc(c1)CNCN(C)C 92fec3fc877181a527d090569ae311a1 [0,2,0,0,0,0|2,0,0]=4 9374 B12R1.105 Cc1csc(c1)CNC[C@H](C)O 45b21dca99675c455d771163488ea812 [0,2,0,0,0,0|1,0,0]=3 9375 B12R1.105 Cc1csc(c1)COCC(C)C 973392dd4ee9032caed546fd642e1f3c [0,2,0,0,0,0|1,0,0]=3 9376 B12R1.105 Cc1csc(c1)COCC(F)F 167b595074465edf0da7dafa4e7fdeb1 [0,2,0,0,0,0|2,0,0]=4 9377 B12R1.105 Cc1csc(c1)COCN(C)C e6199288fb00321e209310d8a961f3cd [0,2,0,0,0,0|2,0,0]=4 9378 B12R1.105 Cc1csc(c1)OCCC(C)C a95f84390c2908d9e737b3052a8ca827 [0,2,0,0,0,0|1,0,0]=3 9379 B12R1.105 Cc1csc(c1)OCCN(C)C 919799ed209dbc67bc61e5f14d57d2a1 [0,2,0,0,0,0|2,0,0]=4 9380 B12R1.105 Cc1csc(c1)OCCS(=O)C f3f8909e3a4e21a1122ab533bdc2cb61 [0,2,0,0,0,0|2,0,0]=4 9381 B12R1.105 Cc1csc(c1)OCOC(C)C 3b54b02e420783a581048d655a85f5f1 [0,2,0,0,0,0|2,0,0]=4 9382 B12R1.105 Cc1csc(n1)CCNC(C)C b82a5eaf1432d5ec6677b8028614612a [0,2,0,0,0,0|2,0,0]=4 9383 B12R1.105 Cc1csc(n1)CCOC(C)C fef421a744bd1365fe7b7e1fcc13bc46 [0,2,0,0,0,0|2,0,0]=4 9384 B12R1.105 Cc1csc(n1)CNCC(C)C 71067370a8229e7ee3782cfe1f3d16ed [0,2,0,0,0,0|2,0,0]=4 9385 B12R1.105 Cc1csc(n1)CNCC(C)O 2d2fcf21167a3c0a6521040090947fcb [0,2,0,0,0,0|2,0,0]=4 9386 B12R1.105 Cc1csc(n1)CNC[C@@H](C)O 80891c8a65b92125cce8baf29ffccb24 [0,2,0,0,0,0|2,0,0]=4 9387 B12R1.105 Cc1csc(n1)CNC[C@H](C)O 3b5a6b1d2c2ec6abaf200faa8afb8183 [0,2,0,0,0,0|2,0,0]=4 9388 B12R1.105 Cc1csc(n1)COCC(C)C eb52320b85536ed144c84079b838c759 [0,2,0,0,0,0|2,0,0]=4 9389 B12R1.105 Cc1csc(n1)COCC(C)F 4818e52a43d3a2011732318ad1bc5cc6 [0,2,0,0,0,0|2,0,0]=4 9390 B12R1.105 Cc1csc(n1)COCC(C)S c48815331f58f93a1135ab305c5fb050 [0,2,0,0,0,0|2,0,0]=4 9391 B12R1.105 Cc1csc(n1)COC[C@@H](C)F 7be2dc4b8adee235104f4ccdb5ba333a [0,2,0,0,0,0|2,0,0]=4 9392 B12R1.105 Cc1csc(n1)COC[C@H](C)F 172b6ac292f4d823d06700abe4b09b42 [0,2,0,0,0,0|2,0,0]=4 9393 B12R1.105 Cc1csc(n1)NCCC(C)C 97c1f79c4c5728a4fcc300e871aaca71 [0,2,0,0,0,0|2,0,0]=4 9394 B12R1.105 Cc1csc(n1)NCCC(C)O 31e8da680a5a02cbbd2a98a104d59722 [0,2,0,0,0,0|2,0,0]=4 9395 B12R1.105 Cc1ncc(s1)CCOC(C)C ea4a05aeba8d30e00b36f906242e141c [0,2,0,0,0,0|2,0,0]=4 9396 B12R1.105 Cc1ncc(s1)CNCC(C)C a177cb3e91d7142058f0238328eebd97 [0,2,0,0,0,0|2,0,0]=4 9397 B12R1.105 Cc1ncc(s1)CNCC(C)O c92e4dd9d4f32b4e040ddc791a16b30c [0,2,0,0,0,0|2,0,0]=4 9398 B12R1.105 Cc1ncc(s1)CNC[C@@H](C)O 7362fb3b01f85b124fbb70d457bbcdd3 [0,2,0,0,0,0|2,0,0]=4 9399 B12R1.105 Cc1ncc(s1)CNC[C@H](C)O 95cf0d91e8c37b15090856950e9398cd [0,2,0,0,0,0|2,0,0]=4 9400 B12R1.105 Cc1ncc(s1)COCC(C)C ed95f43a3b7947cc6b289ae7c4487ff8 [0,2,0,0,0,0|2,0,0]=4 9401 B12R1.105 Cc1ncc(s1)COCC(C)F e0f51171fcc578beea3965b3e4bfe1a5 [0,2,0,0,0,0|2,0,0]=4 9402 B12R1.105 Cc1ncc(s1)COCC(C)S 9245fd5541c080fc9fe32748347aca0e [0,2,0,0,0,0|2,0,0]=4 9403 B12R1.105 Cc1ncc(s1)COC[C@@H](C)F f9e3ece01fcc28772871bd614ba0863c [0,2,0,0,0,0|2,0,0]=4 9404 B12R1.105 Cc1ncc(s1)COC[C@H](C)F 2e7d2ef15af65ac18ad52fa65d8bddc2 [0,2,0,0,0,0|2,0,0]=4 9405 B12R1.105 Cc1ncc(s1)NCCC(C)C 30c7578ceee1421a19b5de0294d457c0 [0,2,0,0,0,0|2,0,0]=4 9406 B12R1.105 Cc1ncc(s1)NCCC(C)O d572bdcbb7d8d1dd2a5897c73863e13c [0,2,0,0,0,0|2,0,0]=4 9407 B12R1.105 Cc1ncc(s1)NCC[C@@H](C)O ab27b6ad086ffbce4441c8505091da4a [0,2,0,0,0,0|2,0,0]=4 9408 B12R1.105 Cc1ncc(s1)NCC[C@H](C)O aadf7d68cfa97c154a02e8dbe08a091c [0,2,0,0,0,0|2,0,0]=4 9409 B12R1.105 FC(F)CNCc1cc(cs1)Br 492ae6666510be4a1135753fb3d4c4dc [0,2,0,0,0,0|2,0,0]=4 9410 B12R1.105 FC(F)CNCc1cc(cs1)Cl dcc17f066c46eae2572c86dec18cbf74 [0,2,0,0,0,0|2,0,0]=4 9411 B12R1.105 FC(F)CNCc1ccc(s1)Br f11dfc0db3da2b1814fa6b9d2f13adb2 [0,2,0,0,0,0|2,0,0]=4 9412 B12R1.105 FC(F)CNCc1ccc(s1)Cl e7a5c9ef6111c49df8a804abdf8ad6a8 [0,2,0,0,0,0|2,0,0]=4 9413 B12R1.105 FC(F)COCc1cc(cs1)Br d62abea04a4508c9d0daaea424f62066 [0,2,0,0,0,0|2,0,0]=4 9414 B12R1.105 FC(F)COCc1cc(cs1)Cl b3255752acbbdf7da87d07f061fd4ba1 [0,2,0,0,0,0|2,0,0]=4 9415 B12R1.105 FC(F)COCc1ccc(s1)Br 6a3606340ac654de4bf33a5067ea2ce5 [0,2,0,0,0,0|2,0,0]=4 9416 B12R1.105 FC(F)COCc1ccc(s1)Cl ca63857d93109baf3399c04ce0ac5527 [0,2,0,0,0,0|2,0,0]=4 9417 B12R1.105 Fc1ccc(s1)CNCC(F)F 47429e273ec7e96f0dfb8d1cbff9cb27 [0,2,0,0,0,0|2,0,0]=4 9418 B12R1.105 Fc1ccc(s1)COCC(F)F 7e6e958014c4e6e8941f893095defdad [0,2,0,0,0,0|2,0,0]=4 9419 B12R1.105 Fc1ccc(s1)NCCC(F)F d9586fdae4bd3e45301fa3dc0b4ac743 [0,2,0,0,0,0|2,0,0]=4 9420 B12R1.455 C#Cc1ccc(o1)COCCC 4733543fe9d2820bed9f435e69693637 [0,2,0,0,0,0|1,1,0]=4 9421 B12R1.455 C#Cc1ccc(s1)COCCC 58a81f82973da7f7d970ad70049bf36e [0,2,0,0,0,0|1,0,0]=3 9422 B12R1.455 C#Cc1ccc(s1)COCCF f40e3913c96526bf90ce65e3e5f22c6d [0,2,0,0,0,0|2,0,0]=4 9423 B12R1.455 C#Cc1ccc(s1)COCCS 30d4703b1cc20f975ed0a76ad0f57c3b [0,2,0,0,0,0|2,0,0]=4 9424 B12R1.455 C#Cc1ccc(s1)COCOC 04861d483fe27a4341d77099a54dfb37 [0,2,0,0,0,0|2,0,0]=4 9425 B12R1.455 C#Cc1ccc(s1)COCSC 8a2807121a66f1d6fe553fc60f1160ef [0,2,0,0,0,0|2,0,0]=4 9426 B12R1.455 CCCCNc1cc(c[nH]1)C=O da32a485d2cc34fe9ef2aedaeaa9369b [0,2,0,0,0,0|2,0,0]=4 9427 B12R1.455 CCCCNc1cc(co1)C#N 32813f8dd5a5599e4b0fbdc92caeb00f [0,2,0,0,0,0|1,1,0]=4 9428 B12R1.455 CCCCNc1cc(cs1)C=O 75d55e7817821055edc79692cc13d4ac [0,2,0,0,0,0|1,0,0]=3 9429 B12R1.455 CCCCNc1ccc([nH]1)C=O 5dd3825434757b3ab79f493df54712d5 [0,2,0,0,0,0|2,0,0]=4 9430 B12R1.455 CCCCNc1ccc(o1)C=O f6debef3b1f263e0b5df3bd733e7be86 [0,2,0,0,0,0|1,1,0]=4 9431 B12R1.455 CCCCNc1ccc(o1)CC fd0f23b09269b5bc70d90d35b7de8bb8 [0,2,0,0,0,0|1,1,0]=4 9432 B12R1.455 CCCCNc1ccc(o1)CO a65b98df55866d7f022d9210a7b612a3 [0,2,0,0,0,0|1,1,0]=4 9433 B12R1.455 CCCCNc1ccc(s1)C#N dc15e99ced62c0f2d8f68b009fcaf090 [0,2,0,0,0,0|1,0,0]=3 9434 B12R1.455 CCCCNc1ccc(s1)C=O 9595be6dd0f7f6f2ed0049c2dbf4dffc [0,2,0,0,0,0|1,0,0]=3 9435 B12R1.455 CCCCNc1ccc(s1)CC 5384532ac71d06ea1865cd97e678890b [0,2,0,0,0,0|1,0,0]=3 9436 B12R1.455 CCCCNc1ccc(s1)CO 1418c4924dbcafb32415103268efac51 [0,2,0,0,0,0|1,0,0]=3 9437 B12R1.455 CCCCNc1ccc(s1)OC 157c7bc18d0257da1ef3714752036ef1 [0,2,0,0,0,0|1,0,0]=3 9438 B12R1.455 CCCCNc1ccc(s1)SC 308f82e993746ea2010529e21e3872f7 [0,2,0,0,0,0|1,0,0]=3 9439 B12R1.455 CCCCNc1cnc(s1)C=O f98d2a7f0e52b76a05f0fd1e47f0ed1d [0,2,0,0,0,0|2,0,0]=4 9440 B12R1.455 CCCCNc1cnc(s1)CC f7bcd87a3217c79977842b1bfc2cccd1 [0,2,0,0,0,0|2,0,0]=4 9441 B12R1.455 CCCCNc1cnc(s1)CO 6d4b1b90fca8bd27a238b41df4f99bdb [0,2,0,0,0,0|2,0,0]=4 9442 B12R1.455 CCCCNc1cnc(s1)OC ef2d001299358fa9312d00f67de83919 [0,2,0,0,0,0|2,0,0]=4 9443 B12R1.455 CCCCNc1nc(cs1)C#N 6d5a6871631d3e16e5e57978715191c1 [0,2,0,0,0,0|2,0,0]=4 9444 B12R1.455 CCCCNc1nc(cs1)C=O 49fee7664d0f3b1526c8974fc18e4683 [0,2,0,0,0,0|2,0,0]=4 9445 B12R1.455 CCCCNc1nc(cs1)CO 0810507d0a1e9fdfc6655533b03332bd [0,2,0,0,0,0|2,0,0]=4 9446 B12R1.455 CCCCNc1ncc(s1)C#N 6f49b4d1b5ce31b9d29bcefe0e8cde2f [0,2,0,0,0,0|2,0,0]=4 9447 B12R1.455 CCCCNc1ncc(s1)C=O 18a8d2acd49b0f1c91b4c139c7455506 [0,2,0,0,0,0|2,0,0]=4 9448 B12R1.455 CCCCNc1ncc(s1)CC 703864b9453526f89ca58ab465dffdf5 [0,2,0,0,0,0|2,0,0]=4 9449 B12R1.455 CCCCNc1ncc(s1)CO 9eaeb4fffd2dec9620c08b025e893172 [0,2,0,0,0,0|2,0,0]=4 9450 B12R1.455 CCCCNc1ncc(s1)OC 4cc12539f3add7ffd0c365fef5ad6079 [0,2,0,0,0,0|2,0,0]=4 9451 B12R1.455 CCCCNc1ncc(s1)SC 7705c1741073821919eb85aa22e1e774 [0,2,0,0,0,0|2,0,0]=4 9452 B12R1.455 CCCNCc1cc(co1)C#N c95777b78b1c80195c7ae1ea01134a01 [0,2,0,0,0,0|1,1,0]=4 9453 B12R1.455 CCCNCc1cc(cs1)C#N 82d208c64efb76af2abf470835c27938 [0,2,0,0,0,0|1,0,0]=3 9454 B12R1.455 CCCNCc1ccc(o1)C#N ebfbbb64059a7c3a386de7754583cf7c [0,2,0,0,0,0|1,1,0]=4 9455 B12R1.455 CCCNCc1ccc(o1)C=O 4eeee60c98ef83c661a77567acef9e24 [0,2,0,0,0,0|1,1,0]=4 9456 B12R1.455 CCCNCc1ccc(o1)CO 07f5eb0ca62a84324aaddc8dd8738e45 [0,2,0,0,0,0|1,1,0]=4 9457 B12R1.455 CCCNCc1ccc(s1)C#N 146a165a6f09f407bd151efcd3d9dbbd [0,2,0,0,0,0|1,0,0]=3 9458 B12R1.455 CCCNCc1ccc(s1)C=O 07a6193c72fd2c1b742eecf80c28dd68 [0,2,0,0,0,0|1,0,0]=3 9459 B12R1.455 CCCOCc1cc(co1)C#N 09ef3bfb56f6e4d03c76f3e0980863f3 [0,2,0,0,0,0|1,1,0]=4 9460 B12R1.455 CCCOCc1cc(cs1)C#N ecb5b1b9f8e097b0a46b1485582b5202 [0,2,0,0,0,0|1,0,0]=3 9461 B12R1.455 CCCOCc1ccc([nH]1)C=O ac64c1c29778a619e9c56882aa6fc212 [0,2,0,0,0,0|2,0,0]=4 9462 B12R1.455 CCCOCc1ccc(o1)C#N 4009b32dbed8045a41060a14a04b050e [0,2,0,0,0,0|1,1,0]=4 9463 B12R1.455 CCCOCc1ccc(o1)C=O c799b5dabcfa8f700111833462717155 [0,2,0,0,0,0|1,1,0]=4 9464 B12R1.455 CCCOCc1ccc(s1)C#N 6e1b08b6d8169b827f15446aa6bc72c5 [0,2,0,0,0,0|1,0,0]=3 9465 B12R1.455 CCCOCc1ccc(s1)C=O c20be42810b4e916d1f0a65c44731d81 [0,2,0,0,0,0|1,0,0]=3 9466 B12R1.455 CCCOCc1ccc(s1)CC 37d20b939d1198f768a1d262b8303c33 [0,2,0,0,0,0|1,0,0]=3 9467 B12R1.455 CCCOCc1cnc(s1)OC 85e00dd724b166d0eee32012d988a711 [0,2,0,0,0,0|2,0,0]=4 9468 B12R1.455 CCCOCc1ncc(s1)CC 26c02551184fe2af3da373f1e808aa56 [0,2,0,0,0,0|2,0,0]=4 9469 B12R1.455 CCNCCc1nc(cs1)CC b917a6c983e71faafe92ffd2b670d086 [0,2,0,0,0,0|2,0,0]=4 9470 B12R1.455 CCOCNc1ccc(s1)C#N ab7fef51491d026b765f0141ec5b6d49 [0,2,0,0,0,0|2,0,0]=4 9471 B12R1.455 CCc1ccc(s1)COCCF 677b8b04a6d199a7965f6ccb6f6f608e [0,2,0,0,0,0|2,0,0]=4 9472 B12R1.455 CCc1ccc(s1)COCCS 56ddf5a220a1e136151d90e19b6b76e5 [0,2,0,0,0,0|2,0,0]=4 9473 B12R1.455 CCc1ccc(s1)COCOC 16adc91c6f8ffeb063516bf3ca5a8391 [0,2,0,0,0,0|2,0,0]=4 9474 B12R1.455 CCc1ccc(s1)COCSC 1c989b116bdc19387f801663c6421cc7 [0,2,0,0,0,0|2,0,0]=4 9475 B12R1.455 CCc1ccc(s1)NCCCCl f85e3da5416b50a688ff045f78611d27 [0,2,0,0,0,0|2,0,0]=4 9476 B12R1.455 CCc1ccc(s1)NCCCO 8458ec7cdb9abf1ad1c6ce0a2a4f0a88 [0,2,0,0,0,0|2,0,0]=4 9477 B12R1.455 CCc1ccc(s1)NCCOC 0bec859ce35a5e010d429c96b6b21ad4 [0,2,0,0,0,0|2,0,0]=4 9478 B12R1.455 CCc1ccc(s1)NCCSC 7c798b8927a48a0d3c8f253b1d9e72ee [0,2,0,0,0,0|2,0,0]=4 9479 B12R1.455 CCc1csc(c1)NCCCCl 409f20b9f3415ce05462fb4815764fd2 [0,2,0,0,0,0|2,0,0]=4 9480 B12R1.455 CCc1csc(c1)NCCCO 882b90af12b0fe7d4bd4410a66c55dc3 [0,2,0,0,0,0|2,0,0]=4 9481 B12R1.455 CCc1csc(c1)NCCOC c93eb0b246e76a123886a9e5f91468c8 [0,2,0,0,0,0|2,0,0]=4 9482 B12R1.455 COCCNc1cc(cs1)C#N 192a8c4601fa8622788b6fc4677acf1c [0,2,0,0,0,0|2,0,0]=4 9483 B12R1.455 COCCNc1cc(cs1)C=O 3cae261998ef048dcfb33b0ad54747fc [0,2,0,0,0,0|2,0,0]=4 9484 B12R1.455 COCCNc1cc(cs1)CO 307dad00c9c030947703732cc68312c8 [0,2,0,0,0,0|2,0,0]=4 9485 B12R1.455 COCCNc1ccc(s1)C#N b39b5ba76d82f58e003cc7319c7d5238 [0,2,0,0,0,0|2,0,0]=4 9486 B12R1.455 COCCNc1ccc(s1)C=O 107bdc6856cf05aa796ee420be377daf [0,2,0,0,0,0|2,0,0]=4 9487 B12R1.455 COCCNc1ccc(s1)CO 110a9a466477c1f077c48e5ad4751c58 [0,2,0,0,0,0|2,0,0]=4 9488 B12R1.455 COCCNc1ccc(s1)OC 837ac5797edb30ccdae8e192ce001985 [0,2,0,0,0,0|2,0,0]=4 9489 B12R1.455 COCCNc1ccc(s1)SC 654cbe982f3562af1305fb2df5137fa4 [0,2,0,0,0,0|2,0,0]=4 9490 B12R1.455 COCNCc1cc(cs1)C#N d16bab2ccaf49a4a69852ce6fc3bcf44 [0,2,0,0,0,0|2,0,0]=4 9491 B12R1.455 COCNCc1ccc(s1)C#N fcd05742df1f3f9482058503eddce21e [0,2,0,0,0,0|2,0,0]=4 9492 B12R1.455 COCOCc1cc(cs1)C#N 37d8f09f065373e7d681334306f4088c [0,2,0,0,0,0|2,0,0]=4 9493 B12R1.455 COCOCc1ccc(s1)C#N 7f9e5afd704227d31ddee0fe0f9aa8cf [0,2,0,0,0,0|2,0,0]=4 9494 B12R1.455 COCOCc1ccc(s1)C=O d6cfad66b2d5d829a847166a65e61ff5 [0,2,0,0,0,0|2,0,0]=4 9495 B12R1.455 COc1ccc(s1)NCCCCl b1813c98e9feef4a0fb624b248ae107a [0,2,0,0,0,0|2,0,0]=4 9496 B12R1.455 COc1ccc(s1)NCCCO 169301694e281dce3881fa1f4bfab5dc [0,2,0,0,0,0|2,0,0]=4 9497 B12R1.455 CSCCNc1cc(cs1)C=O 7da4f10628a6d87178409ebe8d697ba3 [0,2,0,0,0,0|2,0,0]=4 9498 B12R1.455 CSCCNc1ccc(s1)C#N a57b08291f65d42469b8d532de6ee77d [0,2,0,0,0,0|2,0,0]=4 9499 B12R1.455 CSCCNc1ccc(s1)C=O bb22d2c9457401c2ce12854729df61cb [0,2,0,0,0,0|2,0,0]=4 9500 B12R1.455 CSCCNc1ccc(s1)CO a0089c284ea0d813a9b29752341ea890 [0,2,0,0,0,0|2,0,0]=4 9501 B12R1.455 CSCCNc1ccc(s1)SC 86233d41947f6978404d62e7223c3d62 [0,2,0,0,0,0|2,0,0]=4 9502 B12R1.455 CSCNCc1cc(cs1)C#N 4fd5f2a7942747c52ce8507400f91c2e [0,2,0,0,0,0|2,0,0]=4 9503 B12R1.455 CSCNCc1ccc(s1)C#N 80880355a329898864a2d1ea1f2c5ba1 [0,2,0,0,0,0|2,0,0]=4 9504 B12R1.455 CSCOCc1cc(cs1)C#N ef41a8ae84a66923ef537b470491c3e2 [0,2,0,0,0,0|2,0,0]=4 9505 B12R1.455 CSCOCc1ccc(s1)C#N 6b3afa8a35a04bdaa6ab00935afaee2b [0,2,0,0,0,0|2,0,0]=4 9506 B12R1.455 CSCOCc1ccc(s1)C=O 8de917678206f38340b64547bb8ccd2d [0,2,0,0,0,0|2,0,0]=4 9507 B12R1.455 CSc1ccc(s1)NCCCCl 28cbb7d0da0f51d516b5c779eaae81d4 [0,2,0,0,0,0|2,0,0]=4 9508 B12R1.455 CSc1ccc(s1)NCCCO 4955b02423abd6e1663bc8f42b97a5e2 [0,2,0,0,0,0|2,0,0]=4 9509 B12R1.455 N#Cc1ccc(s1)CNCCBr 7a33caacfa9443a3c4ba4547252bcf02 [0,2,0,0,0,0|2,0,0]=4 9510 B12R1.455 N#Cc1ccc(s1)CNCCF 842ca55c726869649fd397505bcfa4d2 [0,2,0,0,0,0|2,0,0]=4 9511 B12R1.455 N#Cc1ccc(s1)CNCCI 165cd8443ec50d3a425100dd2708ca17 [0,2,0,0,0,0|2,0,0]=4 9512 B12R1.455 N#Cc1ccc(s1)CNCCO 75f0ea6774e48f7a09c0e9e532d13477 [0,2,0,0,0,0|2,0,0]=4 9513 B12R1.455 N#Cc1ccc(s1)CNCCS f08cd0a97006515be57ae743cf693b4c [0,2,0,0,0,0|2,0,0]=4 9514 B12R1.455 N#Cc1ccc(s1)COCCF 2da72f34c85d85e5b45a533a9a9f8f87 [0,2,0,0,0,0|2,0,0]=4 9515 B12R1.455 N#Cc1ccc(s1)COCCS 1fcef9fd68f3fd7bee6512f51fa3ba7b [0,2,0,0,0,0|2,0,0]=4 9516 B12R1.455 N#Cc1ccc(s1)NCCCF 29231e13923f7fd32e2f2c69b261c460 [0,2,0,0,0,0|2,0,0]=4 9517 B12R1.455 N#Cc1ccc(s1)NCCCO ba7175514e662fae4b2855fd2abbb641 [0,2,0,0,0,0|2,0,0]=4 9518 B12R1.455 N#Cc1ccc(s1)NCCCS f90e04ab355222a25df9da1e8d98f09c [0,2,0,0,0,0|2,0,0]=4 9519 B12R1.455 N#Cc1csc(c1)CNCCBr 41dd3f087d06c7abd90f17f1a4d11e4b [0,2,0,0,0,0|2,0,0]=4 9520 B12R1.455 N#Cc1csc(c1)CNCCF 29465fc648dc9a953459fa8c210fb09c [0,2,0,0,0,0|2,0,0]=4 9521 B12R1.455 N#Cc1csc(c1)CNCCI ee607fa5a1876c09a8b86c78020e7f95 [0,2,0,0,0,0|2,0,0]=4 9522 B12R1.455 N#Cc1csc(c1)CNCCO ca346aaaadbfd23b2ea4943c4edfce10 [0,2,0,0,0,0|2,0,0]=4 9523 B12R1.455 N#Cc1csc(c1)CNCCS 9377414a54f8904d89e486bd6ab9ef04 [0,2,0,0,0,0|2,0,0]=4 9524 B12R1.455 N#Cc1csc(c1)COCCF ff4867276ee84134fa0daad1eddab7e0 [0,2,0,0,0,0|2,0,0]=4 9525 B12R1.455 N#Cc1csc(c1)COCCS ce2513d1e40c92c0f1c50fae88610a37 [0,2,0,0,0,0|2,0,0]=4 9526 B12R1.455 N#Cc1csc(c1)NCCCCl f20c251a5436461b8c9323da905c2ffd [0,2,0,0,0,0|2,0,0]=4 9527 B12R1.455 O=Cc1ccc(s1)CNCCBr 40e20fe80c8d962b7c99c715f5bee2da [0,2,0,0,0,0|2,0,0]=4 9528 B12R1.455 O=Cc1ccc(s1)CNCCF 097938e9616431b47ac6ee0b9cc66bfe [0,2,0,0,0,0|2,0,0]=4 9529 B12R1.455 O=Cc1ccc(s1)CNCCI 68d12e5d178e32469b3711d61da34641 [0,2,0,0,0,0|2,0,0]=4 9530 B12R1.455 O=Cc1ccc(s1)CNCCO 783d78471b237f2d963f9ce922423233 [0,2,0,0,0,0|2,0,0]=4 9531 B12R1.455 O=Cc1ccc(s1)CNCCS f00f13ed93635b3305b008b80beb11fc [0,2,0,0,0,0|2,0,0]=4 9532 B12R1.455 O=Cc1ccc(s1)COCCF 77f915e1d0f71962e4a120a589e6db9f [0,2,0,0,0,0|2,0,0]=4 9533 B12R1.455 O=Cc1ccc(s1)COCCS c3ba947bc294607e51bbcbe45f362d70 [0,2,0,0,0,0|2,0,0]=4 9534 B12R1.455 O=Cc1ccc(s1)NCCCCl bac4e305f6c438db20d1eb796df2d9dd [0,2,0,0,0,0|2,0,0]=4 9535 B12R1.455 O=Cc1ccc(s1)NCCCO 9bed11337e81a9b97b0b30436c7cb2d2 [0,2,0,0,0,0|2,0,0]=4 9536 B12R1.455 O=Cc1csc(c1)NCCCCl 700bc1556a1cb5e8f25f7632fce4ab8f [0,2,0,0,0,0|2,0,0]=4 9537 B12R1.455 O=Cc1csc(c1)NCCCO 439323fc65ad9a4469307b5b881863f9 [0,2,0,0,0,0|2,0,0]=4 9538 B12R1.455 OCCCNc1cc(cs1)CO 57fa65e83c9500c9f3c9638420b6050d [0,2,0,0,0,0|2,0,0]=4 9539 B12R1.455 OCCCNc1ccc(s1)CO 59d434e80293c1dfee38c68c9a31f3b2 [0,2,0,0,0,0|2,0,0]=4 9540 B12R1.455 OCc1ccc(s1)NCCCCl 62a889a996560e91011112b33748f6e0 [0,2,0,0,0,0|2,0,0]=4 9541 B12R1.455 OCc1csc(c1)NCCCCl b56f9ea6274f5640052cae4f355b3890 [0,2,0,0,0,0|2,0,0]=4 9542 B12R1.456 CCCCNc1sc(nc1C)C abc8c790900b36e517e5ade85bee03e6 [0,2,0,0,0,0|2,0,0]=4 9543 B12R1.456 CCCCNc1sc(nc1C)N 56db5757bcecd6738001ccd4fcfe3b16 [0,2,0,0,0,0|2,0,0]=4 9544 B12R1.456 CCCNCc1sc(nc1Br)C 7d1566ecfa591ee46963f6033d42afa9 [0,2,0,0,0,0|2,0,0]=4 9545 B12R1.456 CCCNCc1sc(nc1C)Br 84cc175933b92b458a0c08213245173a [0,2,0,0,0,0|2,0,0]=4 9546 B12R1.456 CCCNCc1sc(nc1C)C 199327d8d42ef2acf9bfa7b5972bfe37 [0,2,0,0,0,0|2,0,0]=4 9547 B12R1.456 CCCOCc1sc(cc1Cl)Br 2af09488892599f0348c0f4406ff6f0a [0,2,0,0,0,0|1,0,0]=3 9548 B12R1.456 CCCOCc1sc(nc1Br)Br 26f28adb42f56c5797007bff9d48c764 [0,2,0,0,0,0|2,0,0]=4 9549 B12R1.456 CCCOCc1sc(nc1Br)C 738f9b3a826672cd774863c63e67dd24 [0,2,0,0,0,0|2,0,0]=4 9550 B12R1.456 CCCOCc1sc(nc1C)C d42ecadca265f24fea9eac85f139de63 [0,2,0,0,0,0|2,0,0]=4 9551 B12R1.456 CCCOCc1sc(nc1Cl)Cl 5a1aed794fd1ef11cef52fc57203190b [0,2,0,0,0,0|2,0,0]=4 9552 B12R1.456 CCNCCc1sc(nc1C)C 49ad6742e864699b4bba3b100344c0d9 [0,2,0,0,0,0|2,0,0]=4 9553 B12R1.456 CCOCCc1sc(nc1C)C 5ee783cea53656045e0979020b646d3a [0,2,0,0,0,0|2,0,0]=4 9554 B12R1.456 COCOCc1sc(cc1Cl)Br b223cb4d0ab7485a527d7f8fd01a4c4c [0,2,0,0,0,0|2,0,0]=4 9555 B12R1.456 CSCOCc1sc(cc1Cl)Br 75136cf6423bf85476aca51987940b59 [0,2,0,0,0,0|2,0,0]=4 9556 B12R1.456 FCCOCc1sc(cc1Cl)Br 6b9106edf316a133198b1aab0eb31b44 [0,2,0,0,0,0|2,0,0]=4 9557 B12R1.456 SCCOCc1sc(cc1Br)Br bddfe60c4c2e9c8958ccecd950d73b1f [0,2,0,0,0,0|2,0,0]=4 9558 B12R1.456 SCCOCc1sc(cc1Cl)Br 8a1788eb3eb6663cd27653c6b81069f0 [0,2,0,0,0,0|2,0,0]=4 9559 B12R1.457 CCCCNc1cc(=O)n(s1)C 277a3359e3f1480788f228da7f104ce4 [0,2,0,0,0,0|2,0,0]=4 9560 B12R1.457 CCCCNc1nc(c(s1)Br)C ddc6feffa51b826598cf0bfd2c383961 [0,2,0,0,0,0|2,0,0]=4 9561 B12R1.457 CCCCNc1nc(c(s1)C)Br 3bb692bbe7a2e5641854851768ad9d72 [0,2,0,0,0,0|2,0,0]=4 9562 B12R1.457 CCCCNc1nc(c(s1)C)C 160fe707e2a2edde87f23d8b02f0b918 [0,2,0,0,0,0|2,0,0]=4 9563 B12R1.457 CCCCNc1nc(c(s1)Cl)C 229626c6d4aad09b3ba041494a6a92ab [0,2,0,0,0,0|2,0,0]=4 9564 B12R1.457 CCCCNc1nc(c(s1)I)C fef2363b7398c313ee14de6d7029f775 [0,2,0,0,0,0|2,0,0]=4 9565 B12R1.457 CCCNCc1nc(c(s1)Br)C 52983c3ec2b8faf1119439c159f085f2 [0,2,0,0,0,0|2,0,0]=4 9566 B12R1.457 CCCNCc1nc(c(s1)C)C 781d68f3fe0c1f25413a1bb1d1b8687c [0,2,0,0,0,0|2,0,0]=4 9567 B12R1.457 CCCOCc1cn(c(=O)s1)C 4699b5d16cdd3a5cbf42869852203fad [0,2,0,0,0,0|2,0,0]=4 9568 B12R1.457 CCCOCc1nc(c(s1)Br)C 071894323c19ebd58b58ecc74301f006 [0,2,0,0,0,0|2,0,0]=4 9569 B12R1.457 CCCOCc1nc(c(s1)C)C 0991bf22616a87e8a1e4730f26b603e7 [0,2,0,0,0,0|2,0,0]=4 9570 B12R1.457 CCNCCc1nc(c(s1)C)C 78f52ce00c781cdd53b75b560cada6ed [0,2,0,0,0,0|2,0,0]=4 9571 B12R1.457 COCCNc1cc(c(s1)C)Br 11e1955c25d40c70f69d5b18f0f66472 [0,2,0,0,0,0|2,0,0]=4 9572 B12R1.457 COCCNc1cc(c(s1)C)C d85ce03779175bc7ab93e83bacc36bf0 [0,2,0,0,0,0|2,0,0]=4 9573 B12R1.457 Cc1sc(cc1Br)COCCS 837af255e31bfe26d9b89b04786cc8e9 [0,2,0,0,0,0|2,0,0]=4 9574 B12R1.527 CCCCNc1snc(c1Br)C 5dafa4b5d44d3a73e7c87127cefae727 [0,2,0,0,0,0|2,0,0]=4 9575 B12R1.527 CCCCNc1snc(c1I)C 5cf36ac75348c1410295c3b753f4d641 [0,2,0,0,0,0|2,0,0]=4 9576 B12R1.527 CCCNCc1ccc(n1C)C ea882be52670211594e3602c783e58ba [0,2,0,0,0,0|2,0,0]=4 9577 B12R1.527 CCCOCc1scc(c1Cl)C 49ef68207d24bf91af79ddf1d0158f50 [0,2,0,0,0,0|1,0,0]=3 9578 B12R1.527 CCCOCc1snc(c1Cl)Cl db3f5c2d17329e00f1b2284698d6512d [0,2,0,0,0,0|2,0,0]=4 9579 B12R1.527 COCOCc1scc(c1Cl)C 77df5cac6743d1b51c1263de23dc70c0 [0,2,0,0,0,0|2,0,0]=4 9580 B12R1.527 CSCOCc1scc(c1Cl)C 944d082ed4be9a0f42be4b4cb7466c00 [0,2,0,0,0,0|2,0,0]=4 9581 B12R1.527 Cc1csc(c1Cl)COCCF 2fe4485b03b180c721a7353edc6f85d5 [0,2,0,0,0,0|2,0,0]=4 9582 B12R1.527 Cc1csc(c1Cl)COCCS 253f77c1ee39250a9b13d7dd5eaf1da7 [0,2,0,0,0,0|2,0,0]=4 9583 B12R1.36 CCC(NCCF)c1cccs1 8a0756826dd0c59547c7cfc16dbb3468 [0,2,0,0,0,0|2,0,0]=4 9584 B12R1.36 CCC(NCCO)c1cccs1 85f716731ea339b3f506ab7466dce81f [0,2,0,0,0,0|2,0,0]=4 9585 B12R1.36 CCC(NCCS)c1cccs1 3d2a8a1224dc821ec00f79c25899703e [0,2,0,0,0,0|2,0,0]=4 9586 B12R1.36 CCC(NCOC)c1cccs1 050255ecc0b36d43f41784d8cc14894f [0,2,0,0,0,0|2,0,0]=4 9587 B12R1.36 CCC(NCSC)c1cccs1 750b061c4d2bd137f37d9a50445616c5 [0,2,0,0,0,0|2,0,0]=4 9588 B12R1.36 CCCCN(CC)c1nccs1 3bb120e41759f1c09027a578ed9bf136 [0,2,0,0,0,0|2,0,0]=4 9589 B12R1.36 CCCNC(CC)c1ccco1 864ef8187e6bad07f36f2b86debe9f63 [0,2,0,0,0,0|1,1,0]=4 9590 B12R1.36 CCCNC(CC)c1cccs1 650e57acc7b69c34bd659e384f8b483a [0,2,0,0,0,0|1,0,0]=3 9591 B12R1.36 CCCOC(CC)c1ccco1 0e459dd3c5626b928854ffe4b1afb756 [0,2,0,0,0,0|1,1,0]=4 9592 B12R1.54 C=C(C)CNC(C)c1cccs1 875ef3a5d30e025cef2ee91c104cbeea [0,2,0,0,0,0|1,0,1]=4 9593 B12R1.54 C=C(C)CN[C@@H](C)c1cccs1 e24a6cdf12756cef8902212ba413a778 [0,2,0,0,0,0|1,0,1]=4 9594 B12R1.54 C=C(C)CN[C@H](C)c1cccs1 8ec363bcdaac6e080a38e5669ecfc7ce [0,2,0,0,0,0|1,0,1]=4 9595 B12R1.54 C=C(C)COC(C)c1cccs1 cf198f61139112fd234d3d635fa2c566 [0,2,0,0,0,0|1,0,1]=4 9596 B12R1.54 C=C(C)CO[C@@H](C)c1cccs1 6a022e7d086e29c0c5e11bb5e870bad9 [0,2,0,0,0,0|1,0,1]=4 9597 B12R1.54 C=C(C)CO[C@H](C)c1cccs1 e179b3d9c916909c90d8e1fd2bc0cdf3 [0,2,0,0,0,0|1,0,1]=4 9598 B12R1.54 CC(=O)NCC(O)c1cccs1 43262675cb0d43f197929195cc595e21 [0,2,0,0,0,0|1,0,1]=4 9599 B12R1.54 CC(C)CCN(C)c1ccns1 af583c4113d89c96ea10a73b14db853a [0,2,0,0,0,0|2,0,0]=4 9600 B12R1.54 CC(C)CCN(C)c1nccs1 ac01c62f29b2ff329f9def204bb050ba [0,2,0,0,0,0|2,0,0]=4 9601 B12R1.54 CC(C)CNC(=O)c1cccs1 d824d6664b7180afb486efdf0caa6926 [0,2,0,0,0,0|1,0,1]=4 9602 B12R1.54 CC(C)CNC(C)c1ccco1 475db0a0836b2967c97da4609f8cef12 [0,2,0,0,0,0|1,1,0]=4 9603 B12R1.54 CC(C)CNC(C)c1cccs1 1e9ced195b0a05f4dad4c1b546a63abc [0,2,0,0,0,0|1,0,0]=3 9604 B12R1.54 CC(C)CNC(C)c1cncs1 4b920fcc1d335f4ede4378d681f657a8 [0,2,0,0,0,0|2,0,0]=4 9605 B12R1.54 CC(C)CNC(C)c1nccs1 0564000a3fbc1b110b2b4fe1d38df138 [0,2,0,0,0,0|2,0,0]=4 9606 B12R1.54 CC(C)CN[C@@H](C)c1cccs1 74da6ca8f4b96f9972ab42f83b72fa65 [0,2,0,0,0,0|1,0,0]=3 9607 B12R1.54 CC(C)CN[C@@H](C)c1cncs1 38c2dd3bcafd64471a2335fa8aee7740 [0,2,0,0,0,0|2,0,0]=4 9608 B12R1.54 CC(C)CN[C@@H](C)c1nccs1 a8e12530309f7a0cd09399dc49240d7a [0,2,0,0,0,0|2,0,0]=4 9609 B12R1.54 CC(C)CN[C@H](C)c1ccco1 53f5d652be06d8c035fa516801011663 [0,2,0,0,0,0|1,1,0]=4 9610 B12R1.54 CC(C)CN[C@H](C)c1cccs1 c7cf65a7c31e4d479e4b6ef24fd21ea5 [0,2,0,0,0,0|1,0,0]=3 9611 B12R1.54 CC(C)COC(C)c1ccco1 8ace6a60ef821ddf64e47ec5a5561609 [0,2,0,0,0,0|1,1,0]=4 9612 B12R1.54 CC(C)COC(C)c1cccs1 6b1ed5353da8c687e60bad49124ffdb9 [0,2,0,0,0,0|1,0,0]=3 9613 B12R1.54 CC(C)COC(C)c1cncs1 0f4c23da0e9a098625e53f893c701c3a [0,2,0,0,0,0|2,0,0]=4 9614 B12R1.54 CC(C)COC(C)c1nccs1 53d7fab0d1fbd8be515db8f2c2316800 [0,2,0,0,0,0|2,0,0]=4 9615 B12R1.54 CC(C)CO[C@@H](C)c1cccs1 6973978ef62acc7e2d6b8fba09b97b73 [0,2,0,0,0,0|1,0,0]=3 9616 B12R1.54 CC(C)CO[C@@H](C)c1nccs1 ea7e9bd874aaac32e846da10eaaae36e [0,2,0,0,0,0|2,0,0]=4 9617 B12R1.54 CC(C)CO[C@H](C)c1ccco1 930ff0b3ee66e2fa08a5706751038aa8 [0,2,0,0,0,0|1,1,0]=4 9618 B12R1.54 CC(C)CO[C@H](C)c1cccs1 e5004e650de6544e4f4936b26523899d [0,2,0,0,0,0|1,0,0]=3 9619 B12R1.54 CC(C)CO[C@H](C)c1nccs1 f71f2c968403162c7941b04b2d11e844 [0,2,0,0,0,0|2,0,0]=4 9620 B12R1.54 CC(C)NCC(O)c1ccco1 49cb4ceb33e9067d3f8f92e972802f32 [0,2,0,0,0,0|1,1,0]=4 9621 B12R1.54 CC(C)NCC(O)c1cccs1 fae4d7043c9d49990e2e63fcf6dd488c [0,2,0,0,0,0|1,0,0]=3 9622 B12R1.54 CC(C)OCC(=O)c1cccs1 22cb4ffc6a69bfbbdf24fe51b56bf0b4 [0,2,0,0,0,0|1,0,1]=4 9623 B12R1.54 CC(NCC(F)F)c1cccs1 1644a54f350dc4b4630cbdf3a4322436 [0,2,0,0,0,0|2,0,0]=4 9624 B12R1.54 CC(NC[C@@H](C)O)c1nccs1 029b133dafac2abf9edd5af55f168a02 [0,2,0,0,0,0|2,0,0]=4 9625 B12R1.54 CC(NC[C@H](C)O)c1ccco1 e495f95fdd8e68c698ec7a0d8c2185e6 [0,2,0,0,0,0|1,1,0]=4 9626 B12R1.54 CC(NC[C@H](C)O)c1cccs1 1b1a46459e894edaf4bf5d8c0abd178a [0,2,0,0,0,0|1,0,0]=3 9627 B12R1.54 CC(NC[C@H](C)O)c1cncs1 643574d3fef66ffc2e2f4dacc5d7c71d [0,2,0,0,0,0|2,0,0]=4 9628 B12R1.54 CC(NC[C@H](C)O)c1nccs1 731c261ee9285c7c1dab6800ec13d984 [0,2,0,0,0,0|2,0,0]=4 9629 B12R1.54 CC(O)CCN(C)c1ccns1 87d228c93017d0564bbd65e98118d52a [0,2,0,0,0,0|2,0,0]=4 9630 B12R1.54 CC(O)CCN(C)c1nccs1 cb36733be4a9887e447417249f3d8663 [0,2,0,0,0,0|2,0,0]=4 9631 B12R1.54 CC(O)CNC(=O)c1cccs1 cdfdcdf46f08693accb4106ce1e91018 [0,2,0,0,0,0|1,0,1]=4 9632 B12R1.54 CC(O)CNC(C)c1ccco1 d8b1a4441c91165d083a1525e17c5312 [0,2,0,0,0,0|1,1,0]=4 9633 B12R1.54 CC(O)CNC(C)c1cccs1 cadd68d4b31d9e5a0bd554a41bf39e9f [0,2,0,0,0,0|1,0,0]=3 9634 B12R1.54 CC(O)CNC(C)c1cncs1 65b4d20a1ecf14190fa3e03b83e2915d [0,2,0,0,0,0|2,0,0]=4 9635 B12R1.54 CC(O)CNC(C)c1nccs1 f340f69c023f71c0fb0756f77c4ab2c1 [0,2,0,0,0,0|2,0,0]=4 9636 B12R1.54 CC(O)CN[C@@H](C)c1cccs1 bbb3a62434357ca1befa8cca665af1a1 [0,2,0,0,0,0|1,0,0]=3 9637 B12R1.54 CC(O)CN[C@@H](C)c1cncs1 cae0d1d045540f7a26935db5b5bb3b52 [0,2,0,0,0,0|2,0,0]=4 9638 B12R1.54 CC(O)CN[C@@H](C)c1nccs1 a34c19741c93d4af76d09e8aef598c28 [0,2,0,0,0,0|2,0,0]=4 9639 B12R1.54 CC(O)CN[C@H](C)c1ccco1 02dba8e714dc1925212bc4631aa7ec3f [0,2,0,0,0,0|1,1,0]=4 9640 B12R1.54 CC(O)CN[C@H](C)c1cccs1 e6be9b1f103dc64f5c196787cd47645a [0,2,0,0,0,0|1,0,0]=3 9641 B12R1.54 CC(OCC(F)F)c1cccs1 b1f8331f82d33935d369a2347d70b23d [0,2,0,0,0,0|2,0,0]=4 9642 B12R1.54 CC(OCN(C)C)c1cccs1 d2db33f75f63b4a99bfef126ef426dd4 [0,2,0,0,0,0|2,0,0]=4 9643 B12R1.54 C[C@@H](NCC(F)F)c1cccs1 18dc742b984162065af747f761f80a7e [0,2,0,0,0,0|2,0,0]=4 9644 B12R1.54 C[C@@H](O)CNC(=O)c1cccs1 b86c98bf9140f52b4849047d1da5b7d6 [0,2,0,0,0,0|1,0,1]=4 9645 B12R1.54 C[C@@H](OCC(F)F)c1cccs1 4db32394d8fd845ff33bdada3e5cb4ed [0,2,0,0,0,0|2,0,0]=4 9646 B12R1.54 C[C@@H](OCN(C)C)c1cccs1 b35cbeec764ce3c75ba84488009d6b26 [0,2,0,0,0,0|2,0,0]=4 9647 B12R1.54 C[C@H](NCC(F)F)c1cccs1 f7449b7f3f1f2063a08fdda66c1770b9 [0,2,0,0,0,0|2,0,0]=4 9648 B12R1.54 C[C@H](NC[C@@H](C)O)c1nccs1 8218fb6bd885526500a2d07d2d9760b0 [0,2,0,0,0,0|2,0,0]=4 9649 B12R1.54 C[C@H](O)CNC(=O)c1cccs1 0eb61a8a58e9a53a93ac302bcf8b3be4 [0,2,0,0,0,0|1,0,1]=4 9650 B12R1.54 C[C@H](O)CN[C@@H](C)c1cccs1 6e2175e1175043e36ea590a4f061098c [0,2,0,0,0,0|1,0,0]=3 9651 B12R1.54 C[C@H](O)CN[C@@H](C)c1cncs1 d40cf30eee64ccc5d0955efd46a460d4 [0,2,0,0,0,0|2,0,0]=4 9652 B12R1.54 C[C@H](O)CN[C@@H](C)c1nccs1 1751d4d2637859149691ed6114b561eb [0,2,0,0,0,0|2,0,0]=4 9653 B12R1.54 C[C@H](O)CN[C@H](C)c1ccco1 57cd549502fd98a30ab44b495d95f490 [0,2,0,0,0,0|1,1,0]=4 9654 B12R1.54 C[C@H](O)CN[C@H](C)c1cccs1 5321453d8657c4f5b8495b6675a5d4db [0,2,0,0,0,0|1,0,0]=3 9655 B12R1.54 C[C@H](OCC(F)F)c1cccs1 74f51c16660739c5de89979dc729c5c4 [0,2,0,0,0,0|2,0,0]=4 9656 B12R1.54 C[C@H](OCN(C)C)c1cccs1 37c7ef069700e56d0149e329382add0f [0,2,0,0,0,0|2,0,0]=4 9657 B12R1.55 CC(CCO)N(C)c1cccs1 bd3ac426f19421d9ac3f6bcc929b5e23 [0,2,0,0,0,0|2,0,0]=4 9658 B12R1.55 CC(c1cccs1)N(C)CCF 1e46b4a5feeeac1994281f9d8d22cdfe [0,2,0,0,0,0|2,0,0]=4 9659 B12R1.55 CC(c1cccs1)N(C)CCO 4a09620bc28951db58e974ebcb00654a [0,2,0,0,0,0|2,0,0]=4 9660 B12R1.55 CC(c1cccs1)N(C)CCS b6fe28e599eaaf64a127af42a5daf12c [0,2,0,0,0,0|2,0,0]=4 9661 B12R1.55 CCCC(C)N(C)c1nccs1 cc5cf3822213cdb94a9c6082956b4203 [0,2,0,0,0,0|2,0,0]=4 9662 B12R1.55 CCCN(C)C(=O)c1cccs1 c6e89e9fb9305e19c43c0cd3153527cc [0,2,0,0,0,0|1,0,1]=4 9663 B12R1.55 CCCN(C)C(C)c1cccs1 58ffce56788cd32173e16d680d46408c [0,2,0,0,0,0|1,0,0]=3 9664 B12R1.55 CCCN(C)C(C)c1nccs1 ebff79fe0269f0c2883d8aa9cbb4c017 [0,2,0,0,0,0|2,0,0]=4 9665 B12R1.55 COCN(C)C(C)c1cccs1 7f66dd4e4ae3c326bc71dba79d468815 [0,2,0,0,0,0|2,0,0]=4 9666 B12R1.55 CSCN(C)C(C)c1cccs1 f673774ff03b012731d4a17af1fe23c8 [0,2,0,0,0,0|2,0,0]=4 9667 B12R1.55 C[C@@H](CCO)N(C)c1cccs1 d8f5b8445848b45f88d3f3af782519cd [0,2,0,0,0,0|2,0,0]=4 9668 B12R1.99 CC(C)(NCCF)c1cccs1 fdd73671a0723e69ac7e11ad69c3ea54 [0,2,0,0,0,0|2,0,0]=4 9669 B12R1.99 CC(C)(NCCO)c1cccs1 33fcd8e9011777a5d7f78b93daf7a60e [0,2,0,0,0,0|2,0,0]=4 9670 B12R1.99 CC(C)(NCCS)c1cccs1 f10e886134411c31e3d3621bfdbef37d [0,2,0,0,0,0|2,0,0]=4 9671 B12R1.99 CC(C)(OCCS)c1cccs1 5b940312093269a07aebb5c06f2c76ca [0,2,0,0,0,0|2,0,0]=4 9672 B12R1.99 CCCNC(C)(C)c1cccs1 104311ce1aead19812e08727c098db36 [0,2,0,0,0,0|1,0,0]=3 9673 B12R1.99 CCCNC(C)(C)c1nccs1 41a946ac17bdde984d4811a63aa808fd [0,2,0,0,0,0|2,0,0]=4 9674 B12R1.99 CCCOC(C)(C)c1nccs1 d983c0a2a5ef0c69eaf99a3a7f3992fa [0,2,0,0,0,0|2,0,0]=4 9675 B12R1.99 COCNC(C)(C)c1cccs1 b69d032688a079e5190369d7e061430d [0,2,0,0,0,0|2,0,0]=4 9676 B12R1.99 CSCNC(C)(C)c1cccs1 5a2de69a87060675350c6b8737b4e6b9 [0,2,0,0,0,0|2,0,0]=4 9677 B12R1.460 CCCCN(C)c1sccc1C 32e4fb17b80cff8b83ea243f945ad869 [0,2,0,0,0,0|1,0,0]=3 9678 B12R1.460 CCCNC(=O)c1sccc1Br cf657221d49f089b5c5eec690fa42cd6 [0,2,0,0,0,0|1,0,1]=4 9679 B12R1.460 CCCNC(=O)c1sccc1C e8e2df8e3586b1b4d5499ae614dfa049 [0,2,0,0,0,0|1,0,1]=4 9680 B12R1.460 CCCNC(=O)c1sccc1Cl ec4a3e8e3e492b4f59948bd6c51b59c4 [0,2,0,0,0,0|1,0,1]=4 9681 B12R1.460 CCCNC(=O)c1sccc1F 8c92c9451cf12ab00088f0b3200277a3 [0,2,0,0,0,0|1,0,1]=4 9682 B12R1.460 CCCNC(=O)c1sccc1I b5f2e26ce9a7f0b999904af04da30998 [0,2,0,0,0,0|1,0,1]=4 9683 B12R1.460 CCCNC(=O)c1sccc1O 572acb5c0f5432d0d34d0283e6a8b9c3 [0,2,0,0,0,0|1,0,1]=4 9684 B12R1.460 CCCNC(=O)c1sccc1S b4bae40aa44f9f0ae0c320b4735e14b5 [0,2,0,0,0,0|1,0,1]=4 9685 B12R1.460 CCCOC(C)c1scnc1C 4c9cfdd8a974c5fc45cbf91782d910d1 [0,2,0,0,0,0|2,0,0]=4 9686 B12R1.460 COCCN(C)c1sccc1C 9391fff17c859927ff3114b0dfb8084a [0,2,0,0,0,0|2,0,0]=4 9687 B12R1.460 Cc1ccsc1N(C)CCCO a811d73c7f654e621edebd5ab48be88b [0,2,0,0,0,0|2,0,0]=4 9688 B12R1.72 CCCC(CC)Nc1ccns1 db8386126103984c7cf0a4545ba31cce [0,2,0,0,0,0|2,0,0]=4 9689 B12R1.72 CCCC(CC)Nc1cncs1 c56d7bc9b6c5fd6535faa8b8087c21cb [0,2,0,0,0,0|2,0,0]=4 9690 B12R1.72 CCCC(CC)Nc1nccs1 2a67a78b3fc02a875c988ab78cdb216d [0,2,0,0,0,0|2,0,0]=4 9691 B12R1.72 CCCC(CC)Oc1ccco1 e3e8666a46739f476e9690e57d5cfb87 [0,2,0,0,0,0|1,1,0]=4 9692 B12R1.72 CCCC(CC)Oc1cccs1 5da94b3bdee374f0a1f5f168bd387abc [0,2,0,0,0,0|1,0,0]=3 9693 B12R1.72 CCCC(CC)Oc1nccs1 4ee4eb54db401c2884eb98e139023079 [0,2,0,0,0,0|2,0,0]=4 9694 B12R1.72 CCCC(CO)Nc1ccco1 376a2c9c2f8bdc8fe4e729ccef37e1f6 [0,2,0,0,0,0|1,1,0]=4 9695 B12R1.72 CCCC(CO)Nc1cccs1 50c6bfcd919006d648faee2fb246ba4d [0,2,0,0,0,0|1,0,0]=3 9696 B12R1.72 CCCC(CO)Nc1ccns1 7e6a33db68a66f44daf9f120abef51a0 [0,2,0,0,0,0|2,0,0]=4 9697 B12R1.72 CCCC(CO)Nc1nccs1 f43d19bc9c8ea1652a0b87b7ef52fa00 [0,2,0,0,0,0|2,0,0]=4 9698 B12R1.72 CCCN(C=O)Cc1ccco1 2e338bf1ba163d029c48670fc31dde6a [0,2,0,0,0,0|1,1,0]=4 9699 B12R1.72 CCCN(C=O)Cc1cccs1 4e2db9cd019493292596f2717370372f [0,2,0,0,0,0|1,0,0]=3 9700 B12R1.72 CCCN(CC)Cc1ccco1 73de57fc6926269dd415a9a8b33db5dc [0,2,0,0,0,0|1,1,0]=4 9701 B12R1.72 CCCN(CC)Cc1cccs1 ee2cb635dd644bba53e64910e6579658 [0,2,0,0,0,0|1,0,0]=3 9702 B12R1.72 CCCN(CC)Cc1nccs1 5934274163dfb2036df20d7cbac3daf8 [0,2,0,0,0,0|2,0,0]=4 9703 B12R1.72 CCCN(CF)Cc1ccco1 769b5fcd15a111ed2758f3a762e6d4a5 [0,2,0,0,0,0|1,1,0]=4 9704 B12R1.72 CCCN(CO)Cc1ccco1 fec13c67b55910648391532a06020537 [0,2,0,0,0,0|1,1,0]=4 9705 B12R1.72 CCCN(CO)Cc1cccs1 be9dc3ea1d4f9aae04fa6092a3bb15da [0,2,0,0,0,0|1,0,0]=3 9706 B12R1.72 CCC[C@@H](CO)Nc1ccco1 247b932d0dd21cab6555c4d888df0e97 [0,2,0,0,0,0|1,1,0]=4 9707 B12R1.72 CCC[C@@H](CO)Nc1cccs1 20b1884ed3a243442f561f8ca678844a [0,2,0,0,0,0|1,0,0]=3 9708 B12R1.72 CCC[C@@H](CO)Nc1ccns1 3ca861a536e7f94938d077fa6e8b2593 [0,2,0,0,0,0|2,0,0]=4 9709 B12R1.72 CCC[C@@H](CO)Nc1nccs1 2eb498ea54460b383baf991b415894b5 [0,2,0,0,0,0|2,0,0]=4 9710 B12R1.72 CCC[C@H](CO)Nc1ccco1 6695704f1aeee934b778b3ceff238121 [0,2,0,0,0,0|1,1,0]=4 9711 B12R1.72 CCC[C@H](CO)Nc1cccs1 cc0d055f9701dc02e4738555d9e72410 [0,2,0,0,0,0|1,0,0]=3 9712 B12R1.72 CCC[C@H](CO)Nc1ccns1 8c107261fd1a09bbb34555abf5036d91 [0,2,0,0,0,0|2,0,0]=4 9713 B12R1.72 CCC[C@H](CO)Nc1nccs1 85cdbeaef7677dfb9d06cc961762cd02 [0,2,0,0,0,0|2,0,0]=4 9714 B12R1.72 CCN(CCCl)Cc1cccs1 73e82c60fb390ec5ee8e485bac8bfd86 [0,2,0,0,0,0|2,0,0]=4 9715 B12R1.72 CCN(CCO)Cc1cccs1 94361f44516f5ae5febb6b05812d95cc [0,2,0,0,0,0|2,0,0]=4 9716 B12R1.72 CCN(COC)Cc1cccs1 e28061d7f885a0d85423b3727256001d [0,2,0,0,0,0|2,0,0]=4 9717 B12R1.72 O=CN(CCO)Cc1cccs1 ed02b9a895ca716080fc139cb63fa249 [0,2,0,0,0,0|2,0,0]=4 9718 B12R1.72 OCCN(CO)Cc1cccs1 fc03bb8038ecd79bee5b3407353fc21d [0,2,0,0,0,0|2,0,0]=4 9719 B12R1.72 OCC[C@H](CO)Oc1cccs1 7bf9a747547624a64e80cc1863874660 [0,2,0,0,0,0|2,0,0]=4 9720 B12R1.260 C=C(C)CN(C)Cc1cccs1 8075063fad9c9c1550cf3b248340e794 [0,2,0,0,0,0|1,0,1]=4 9721 B12R1.260 CC(C)CC(=O)Nc1cccs1 9dd319e52f58759155187a762c025382 [0,2,0,0,0,0|1,0,1]=4 9722 B12R1.260 CC(C)CC(C)Nc1cccs1 c66b870449b09b5064fda3ac0870fd82 [0,2,0,0,0,0|1,0,0]=3 9723 B12R1.260 CC(C)CC(C)Nc1ccns1 b9d7ed22347b7b153e802c402f018368 [0,2,0,0,0,0|2,0,0]=4 9724 B12R1.260 CC(C)CC(C)Nc1cncs1 60551489aea905f464e5638a826ae61e [0,2,0,0,0,0|2,0,0]=4 9725 B12R1.260 CC(C)CC(C)Nc1nccs1 28bd91f92413ff15c39c9f6eb7ea61de [0,2,0,0,0,0|2,0,0]=4 9726 B12R1.260 CC(C)CC(C)Oc1ccco1 22990aa6dfc98eff0004812e0a2bfe34 [0,2,0,0,0,0|1,1,0]=4 9727 B12R1.260 CC(C)CC(C)Oc1cccs1 b17ea48cb7efa3ee29fee1a20b78fc00 [0,2,0,0,0,0|1,0,0]=3 9728 B12R1.260 CC(C)CC(C)Oc1nccs1 64eab41f986e367307bae93ab68da920 [0,2,0,0,0,0|2,0,0]=4 9729 B12R1.260 CC(C)CN(C)Cc1ccc[nH]1 d370c336cfb14ba8cde0811c832338ff [0,2,0,0,0,0|2,0,0]=4 9730 B12R1.260 CC(C)CN(C)Cc1ccco1 9cdc4c2b76176b5179d0e2ae9107aff6 [0,2,0,0,0,0|1,1,0]=4 9731 B12R1.260 CC(C)CN(C)Cc1cccs1 4950b3484f18aae35ddf94a6a55dd30f [0,2,0,0,0,0|1,0,0]=3 9732 B12R1.260 CC(C)CN(C)Cc1cncs1 0a26912e3fe3cf4e1eb0c53d58b8dd32 [0,2,0,0,0,0|2,0,0]=4 9733 B12R1.260 CC(C)CN(C)Cc1nccs1 2575b436709932e5d1546d4193d5fbad [0,2,0,0,0,0|2,0,0]=4 9734 B12R1.260 CC(C)NC(C)Cc1ccc[nH]1 8ad4ed9d03378162b2987ebcdc0b7894 [0,2,0,0,0,0|2,0,0]=4 9735 B12R1.260 CC(C)NC(C)Cc1ccco1 e305670197bd38fcc9de256a55bb2321 [0,2,0,0,0,0|1,1,0]=4 9736 B12R1.260 CC(O)CC(=O)Nc1cccs1 cd687747919f339800ca0670ccb74eaa [0,2,0,0,0,0|1,0,1]=4 9737 B12R1.260 CC(O)CC(C)Nc1ccns1 104dfd7fd8f064337cd5fa4804e06235 [0,2,0,0,0,0|2,0,0]=4 9738 B12R1.260 CC(O)CN(C)Cc1ccc[nH]1 43f4c42a95424cb9e111c1d913e3e54b [0,2,0,0,0,0|2,0,0]=4 9739 B12R1.260 CC(O)CN(C)Cc1ccco1 0e9e81b44ef67d2931cd5b4d20d7d096 [0,2,0,0,0,0|1,1,0]=4 9740 B12R1.260 CC(O)CN(C)Cc1cccs1 f43573a5229c0e0234007974b302f2a3 [0,2,0,0,0,0|1,0,0]=3 9741 B12R1.260 CC(O)CN(C)Cc1cncs1 316a6d9223a6ec9a167705026f693a8b [0,2,0,0,0,0|2,0,0]=4 9742 B12R1.260 CC(O)CN(C)Cc1nccs1 2303698d389e4b0d3ea3c111eae76f13 [0,2,0,0,0,0|2,0,0]=4 9743 B12R1.260 CN(Cc1cccs1)CC(F)F a6afba008bf0dfbd53ca96b94b18d6cc [0,2,0,0,0,0|2,0,0]=4 9744 B12R1.260 C[C@@H](O)CC(=O)Nc1cccs1 d936c1e8ad5916af2aea8eadb0bd86a8 [0,2,0,0,0,0|1,0,1]=4 9745 B12R1.260 C[C@@H](O)CN(C)Cc1ccc[nH]1 e3d5db0dcf16a54c63361c3115833d4d [0,2,0,0,0,0|2,0,0]=4 9746 B12R1.260 C[C@@H](O)CN(C)Cc1ccco1 d634f2458e98d668c0872a0082ed4d87 [0,2,0,0,0,0|1,1,0]=4 9747 B12R1.260 C[C@@H](O)CN(C)Cc1nccs1 f5575e99225dccc41452a4e5a4468f21 [0,2,0,0,0,0|2,0,0]=4 9748 B12R1.260 C[C@H](O)CC(=O)Nc1cccs1 ab3a3ac2a6c8fd1bf80de7d3683f465f [0,2,0,0,0,0|1,0,1]=4 9749 B12R1.260 C[C@H](O)CN(C)Cc1ccc[nH]1 dd99adb5bbda4a1fa1b9649f28d99dcb [0,2,0,0,0,0|2,0,0]=4 9750 B12R1.260 C[C@H](O)CN(C)Cc1ccco1 76b0132e516fd3b81813540791122765 [0,2,0,0,0,0|1,1,0]=4 9751 B12R1.260 C[C@H](O)CN(C)Cc1cccs1 6ce2596f2dd10167439e56922061a65a [0,2,0,0,0,0|1,0,0]=3 9752 B12R1.260 C[C@H](O)CN(C)Cc1cncs1 9c7f1777ba64d6db0f2abd7c74f927e0 [0,2,0,0,0,0|2,0,0]=4 9753 B12R1.260 C[C@H](O)CN(C)Cc1nccs1 77d9cdbd781d28bbf671c6e5a7e8911d [0,2,0,0,0,0|2,0,0]=4 9754 B12R1.318 CCCC(C)Nc1scnc1C 08b29a932ca629ba0bdc2ce36e6bc46f [0,2,0,0,0,0|2,0,0]=4 9755 B12R1.318 CCCC(C)Oc1cccn1C 740e7ff371446bdecbc6f94ddc7c05a6 [0,2,0,0,0,0|2,0,0]=4 9756 B12R1.318 CCCN(C)Cc1cccn1C 45600bcc540e00aba00324844c5205bc [0,2,0,0,0,0|2,0,0]=4 9757 B12R1.318 CCCN(C)Cc1occc1C 1b997895e2f17874906cce2fcc0de169 [0,2,0,0,0,0|1,1,0]=4 9758 B12R1.318 CCCN(C)Cc1scnc1C ee2c28b41eddd8821787f423d464d67e [0,2,0,0,0,0|2,0,0]=4 9759 B12R1.318 CCCN(C)Cc1scnc1Cl 3647f0f39059485db4e872c1bf03ca41 [0,2,0,0,0,0|2,0,0]=4 9760 B12R1.130 C=C(C)CCNc1sccc1C 343b2195e74f9d5b711da711c87b1236 [0,2,0,0,0,0|1,0,1]=4 9761 B12R1.130 C=C(C)CNCc1sccc1Br ca1d418b79ecad9dac251a84bf000b1d [0,2,0,0,0,0|1,0,1]=4 9762 B12R1.130 C=C(C)CNCc1sccc1Cl eff1220db00519b71dff2ae9494e9345 [0,2,0,0,0,0|1,0,1]=4 9763 B12R1.130 C=C(C)CNCc1sccc1F 94753a49d89271e7b4b476eaa5e626f1 [0,2,0,0,0,0|1,0,1]=4 9764 B12R1.130 C=C(C)COCc1sccc1C 1e6fd90549717bf83d903beadfecfaaf [0,2,0,0,0,0|1,0,1]=4 9765 B12R1.130 C=C(C)COCc1sccc1Cl 78c74d360f9d0975ceebbc2d4d58d97d [0,2,0,0,0,0|1,0,1]=4 9766 B12R1.130 C=C(C)COCc1sccc1F 6867275fd5de0a15d470870d5ec59a24 [0,2,0,0,0,0|1,0,1]=4 9767 B12R1.130 CC(=O)NCCc1sccc1C 54d2325cc7c28ca90bd4f8f05c8ba280 [0,2,0,0,0,0|1,0,1]=4 9768 B12R1.130 CC(C)CCOc1cccn1C a4ec78e8a5670a78df06c039045914c7 [0,2,0,0,0,0|2,0,0]=4 9769 B12R1.130 CC(C)CNCc1cccn1C 70c7bff8e928de7471336a1bb48c71c8 [0,2,0,0,0,0|2,0,0]=4 9770 B12R1.130 CC(C)CNCc1sccc1Br 5da7a64ac9532582a9e3f4ec80f7043b [0,2,0,0,0,0|1,0,0]=3 9771 B12R1.130 CC(C)CNCc1sccc1Cl 3ace20618dea404d67582b39590351aa [0,2,0,0,0,0|1,0,0]=3 9772 B12R1.130 CC(C)CNCc1sccc1F 080b6149ad60b0aeb519d65ae2121736 [0,2,0,0,0,0|1,0,0]=3 9773 B12R1.130 CC(C)CNCc1scnc1Br c9b3a177de2de18e5a4f21f4f4f1ff28 [0,2,0,0,0,0|2,0,0]=4 9774 B12R1.130 CC(C)CNCc1scnc1Cl b5c1e4ccc3972bb35a103521a0258882 [0,2,0,0,0,0|2,0,0]=4 9775 B12R1.130 CC(C)COCc1cccn1C 67213a43635db0583e0feaf9a2457c5f [0,2,0,0,0,0|2,0,0]=4 9776 B12R1.130 CC(C)COCc1occc1Br 934fa30b1456a808990a030680513fd5 [0,2,0,0,0,0|1,1,0]=4 9777 B12R1.130 CC(C)COCc1sccc1Br 4f01a43dcaa9b30d09bd3d3a94bd07ff [0,2,0,0,0,0|1,0,0]=3 9778 B12R1.130 CC(C)COCc1sccc1Cl c389e34211a5c1e81a8a39616644f7af [0,2,0,0,0,0|1,0,0]=3 9779 B12R1.130 CC(C)COCc1sccc1F 1ec9321eb65cb979d323091452adb6cd [0,2,0,0,0,0|1,0,0]=3 9780 B12R1.130 CC(C)COCc1scnc1Br ef35fa857fa129c2c156021185372d3a [0,2,0,0,0,0|2,0,0]=4 9781 B12R1.130 CC(C)COCc1scnc1Cl 534e8b9df939fa1aa3a6d911413ec94f [0,2,0,0,0,0|2,0,0]=4 9782 B12R1.130 CC(C)COCc1sncc1Br ae8b77eb03aeb88f671d43e5d56a0ef9 [0,2,0,0,0,0|2,0,0]=4 9783 B12R1.130 CC(C)NCCc1cccn1C 4494c112e9be2538280f391b0c1d91c3 [0,2,0,0,0,0|2,0,0]=4 9784 B12R1.130 CC(C)OCCc1cccn1C 56583b4ac9c04a7bc1e5d03154c27e97 [0,2,0,0,0,0|2,0,0]=4 9785 B12R1.130 CC(F)COCc1scnc1Cl 55457023ab284a4858209c25dfb9a442 [0,2,0,0,0,0|2,0,0]=4 9786 B12R1.130 CC(O)CNCc1cccn1C 4fa60aa53e5fe93a551529dbe621a948 [0,2,0,0,0,0|2,0,0]=4 9787 B12R1.130 CC(O)CNCc1sccc1Br bbfb2b7c4c7226935dc5f740a9a2594c [0,2,0,0,0,0|1,0,0]=3 9788 B12R1.130 CC(O)CNCc1sccc1Cl b16066d54274340114ac4ddccd4746df [0,2,0,0,0,0|1,0,0]=3 9789 B12R1.130 CC(O)CNCc1sccc1F 84d6dbeb40b55f0b1772d9270aa5dfc6 [0,2,0,0,0,0|1,0,0]=3 9790 B12R1.130 CC(O)CNCc1scnc1Br e45f0a8f72c19cbe250db86d60e76431 [0,2,0,0,0,0|2,0,0]=4 9791 B12R1.130 CC(O)CNCc1scnc1Cl cd8a04658e94857600735a82dd678f85 [0,2,0,0,0,0|2,0,0]=4 9792 B12R1.130 CC(S)COCc1scnc1Cl c7fb7eb59eaa29a016d7c50eca50c70c [0,2,0,0,0,0|2,0,0]=4 9793 B12R1.130 CN(C)CNCc1sccc1Cl 0bacf8082b2da34540d58a5f3b1541c6 [0,2,0,0,0,0|2,0,0]=4 9794 B12R1.130 CN(C)CNCc1sccc1F 50cf3cafc7639ad6ef04877f35985e60 [0,2,0,0,0,0|2,0,0]=4 9795 B12R1.130 CN(C)COCc1sccc1Cl 8054c08323e7592076eefe8e774c28d8 [0,2,0,0,0,0|2,0,0]=4 9796 B12R1.130 C[C@@H](F)COCc1scnc1Cl 6576696bbd8589d14ab4d0fb98d4a50a [0,2,0,0,0,0|2,0,0]=4 9797 B12R1.130 C[C@@H](O)CNCc1cccn1C 4d138c55af6778072140b279fe399748 [0,2,0,0,0,0|2,0,0]=4 9798 B12R1.130 C[C@@H](O)CNCc1sccc1Cl f404a96d6cf15de21972f3c48947b7da [0,2,0,0,0,0|1,0,0]=3 9799 B12R1.130 C[C@@H](O)CNCc1scnc1Cl 07e15729635ac0d7551d0eef09310733 [0,2,0,0,0,0|2,0,0]=4 9800 B12R1.130 C[C@H](F)COCc1scnc1Cl d50f7413aa44f8b4e41bbeeb74c5695f [0,2,0,0,0,0|2,0,0]=4 9801 B12R1.130 C[C@H](O)CNCc1cccn1C b893e70240c2d3dbdbff42afc5efc9bf [0,2,0,0,0,0|2,0,0]=4 9802 B12R1.130 C[C@H](O)CNCc1sccc1Br 9ca47f0b42745dce6e72a31f7d948018 [0,2,0,0,0,0|1,0,0]=3 9803 B12R1.130 C[C@H](O)CNCc1sccc1Cl f2327048df387ce85d2599a3a7b17b9d [0,2,0,0,0,0|1,0,0]=3 9804 B12R1.130 C[C@H](O)CNCc1sccc1F a9708784411cb44cb2540d493c018d10 [0,2,0,0,0,0|1,0,0]=3 9805 B12R1.130 C[C@H](O)CNCc1scnc1Br e6dfb17c9e0f70f661ad17933523526c [0,2,0,0,0,0|2,0,0]=4 9806 B12R1.130 C[C@H](O)CNCc1scnc1Cl 67d59d5269c830b02c13581f1e8eb94f [0,2,0,0,0,0|2,0,0]=4 9807 B12R1.130 Cc1ccoc1CNCC(C)C 07750009f735335dbefbc643a017944b [0,2,0,0,0,0|1,1,0]=4 9808 B12R1.130 Cc1ccoc1CNCC(C)O b88bd018aa7644c5779af1e011fee75c [0,2,0,0,0,0|1,1,0]=4 9809 B12R1.130 Cc1ccoc1CNC[C@@H](C)O afa0c9f65d1bd8c91e39c8f1b84e2c41 [0,2,0,0,0,0|1,1,0]=4 9810 B12R1.130 Cc1ccoc1CNC[C@H](C)O f14373bba77f63b64ba208236fb182ce [0,2,0,0,0,0|1,1,0]=4 9811 B12R1.130 Cc1ccoc1COCC(C)C 4b73f669ad7b03103b38200d73f3ff29 [0,2,0,0,0,0|1,1,0]=4 9812 B12R1.130 Cc1ccsc1CCNC(C)C b978101b172099790f23144f30ffa1f9 [0,2,0,0,0,0|1,0,0]=3 9813 B12R1.130 Cc1ccsc1COCC(C)C cd74728308fa17b945a1b86e0e2644d4 [0,2,0,0,0,0|1,0,0]=3 9814 B12R1.130 Cc1ccsc1COCC(F)F 3c2c0a2287f573d59cdea660115de521 [0,2,0,0,0,0|2,0,0]=4 9815 B12R1.130 Cc1ccsc1NCCC(C)C b9062681752dba93d52afc1d69bead6f [0,2,0,0,0,0|1,0,0]=3 9816 B12R1.130 Cc1ccsc1NCCC(C)O 8eedb6d94615bcbb7bee074df9837c4a [0,2,0,0,0,0|1,0,0]=3 9817 B12R1.130 Cc1ccsc1NCCC(F)F e91941374e4ffb4e87fdf9081c7a6649 [0,2,0,0,0,0|2,0,0]=4 9818 B12R1.130 Cc1ccsc1NCCS(=O)C a81d28b896fb2b87228c74526a9aefaf [0,2,0,0,0,0|2,0,0]=4 9819 B12R1.130 Cc1ccsc1NCC[C@@H](C)O 83355976202fc4049bedbc418d301b8a [0,2,0,0,0,0|1,0,0]=3 9820 B12R1.130 Cc1ccsc1NCC[C@H](C)O 7f8bf396e85c492ced9adbc9d3a97f51 [0,2,0,0,0,0|1,0,0]=3 9821 B12R1.130 Cc1ncsc1CCOC(C)C 672e3213967ce84795b56e8f9a74444b [0,2,0,0,0,0|2,0,0]=4 9822 B12R1.130 Cc1ncsc1CNCC(C)C 73a838981dbccfc254ce12bd44c7ff5d [0,2,0,0,0,0|2,0,0]=4 9823 B12R1.130 Cc1ncsc1CNCC(C)O 2bfdd6dede33f3d3c8dcbd782167d5ee [0,2,0,0,0,0|2,0,0]=4 9824 B12R1.130 Cc1ncsc1CNC[C@H](C)O 585d1bc09f3032f50fbaebecc6d92c2a [0,2,0,0,0,0|2,0,0]=4 9825 B12R1.130 Cc1ncsc1COCC(C)C ad4bd6f28741670b05ff9d0c0328bb9b [0,2,0,0,0,0|2,0,0]=4 9826 B12R1.130 Cc1ncsc1COCC(C)F ec850d882eb7c6ec003305db152870ed [0,2,0,0,0,0|2,0,0]=4 9827 B12R1.130 Cc1ncsc1COCC(C)S a09606f23162208ed06a061990034b25 [0,2,0,0,0,0|2,0,0]=4 9828 B12R1.130 Cc1ncsc1COC[C@@H](C)F d44777a9cfff4fbdc7b4695a03bcc860 [0,2,0,0,0,0|2,0,0]=4 9829 B12R1.130 Cc1ncsc1COC[C@H](C)F cd8b0ca604f7095e8903de15cc3e280d [0,2,0,0,0,0|2,0,0]=4 9830 B12R1.130 Cc1ncsc1NCCC(C)C 39e1f19cbf2df93aef238d25b48d076c [0,2,0,0,0,0|2,0,0]=4 9831 B12R1.130 Cc1ncsc1NCCC(C)O 814ad255038fe4dd1291779ca17251ff [0,2,0,0,0,0|2,0,0]=4 9832 B12R1.130 Cc1ncsc1NCC[C@@H](C)O a21cf66ded4fde0fa1f940ec1adc02ff [0,2,0,0,0,0|2,0,0]=4 9833 B12R1.130 Cc1ncsc1NCC[C@H](C)O 4ef57c6a501923955f27ce8c4e3e257a [0,2,0,0,0,0|2,0,0]=4 9834 B12R1.130 FC(F)CNCc1sccc1Br 8e6bb8fb2e6355c73cd221084af556c3 [0,2,0,0,0,0|2,0,0]=4 9835 B12R1.130 FC(F)CNCc1sccc1Cl a1fb29bb2aeed2d91184a4d6a9389994 [0,2,0,0,0,0|2,0,0]=4 9836 B12R1.130 FC(F)COCc1sccc1Br 8c3c7a66d4fe942828bc5bc870874098 [0,2,0,0,0,0|2,0,0]=4 9837 B12R1.130 FC(F)COCc1sccc1Cl 3ae75e578ed96d0d54d6a530bef58406 [0,2,0,0,0,0|2,0,0]=4 9838 B12R1.130 Fc1ccsc1CNCC(F)F 5bb43d702f735d984ca141d61e86021d [0,2,0,0,0,0|2,0,0]=4 9839 B12R1.130 Fc1ccsc1COCC(F)F 0f0a4f1111ecb7f951d163aa7383f2c9 [0,2,0,0,0,0|2,0,0]=4 9840 B12R1.890 CC(C)(Br)COCc1ccco1 bdf0d68e4868d5520010802e60c0f7be [0,2,0,0,0,0|1,1,0]=4 9841 B12R1.890 CC(C)(Br)COCc1cccs1 72c273506aecef003e6486833521db75 [0,2,0,0,0,0|1,0,0]=3 9842 B12R1.890 CC(C)(Br)COCc1nccs1 ee6e2d5d9c535244828302ddc9d40bde [0,2,0,0,0,0|2,0,0]=4 9843 B12R1.890 CC(C)(C)CCNc1ccco1 2aa38178f173c80c1745643cc98fe0a8 [0,2,0,0,0,0|1,1,0]=4 9844 B12R1.890 CC(C)(C)CCNc1cccs1 8b10ce0d1710b43b3b3dbc44e5f63390 [0,2,0,0,0,0|1,0,0]=3 9845 B12R1.890 CC(C)(C)CCNc1ccns1 462829a87c7d129c828ae525136cc5cb [0,2,0,0,0,0|2,0,0]=4 9846 B12R1.890 CC(C)(C)CCNc1cncs1 9b778753bbc33a976efe70b7441a80cb [0,2,0,0,0,0|2,0,0]=4 9847 B12R1.890 CC(C)(C)CCNc1nccs1 b00ef5c84770cc3341f36c803526cf03 [0,2,0,0,0,0|2,0,0]=4 9848 B12R1.890 CC(C)(C)CCOc1ccco1 0961706b9871fecf228e89881ecd41a9 [0,2,0,0,0,0|1,1,0]=4 9849 B12R1.890 CC(C)(C)CCOc1cccs1 7fe361b4bf13eaba4ffd55d0e7d7e620 [0,2,0,0,0,0|1,0,0]=3 9850 B12R1.890 CC(C)(C)CCOc1nccs1 93ebb5da0fc90b7365625f10097d00a6 [0,2,0,0,0,0|2,0,0]=4 9851 B12R1.890 CC(C)(C)CNCc1ccc[nH]1 37becbb5eda0222c8aa1a30768919066 [0,2,0,0,0,0|2,0,0]=4 9852 B12R1.890 CC(C)(C)CNCc1ccco1 9c07c733eebabda05f36c53dc20c5bac [0,2,0,0,0,0|1,1,0]=4 9853 B12R1.890 CC(C)(C)CNCc1cccs1 7447480841b77c52a3cb3cd705540c39 [0,2,0,0,0,0|1,0,0]=3 9854 B12R1.890 CC(C)(C)CNCc1ccns1 820ee39f11c50739c4781712f0221743 [0,2,0,0,0,0|2,0,0]=4 9855 B12R1.890 CC(C)(C)CNCc1cncs1 6548fd334db4ffd06aed0a7c66000b0d [0,2,0,0,0,0|2,0,0]=4 9856 B12R1.890 CC(C)(C)CNCc1nccs1 db0fe1d5beee85dd694441da4fd557bc [0,2,0,0,0,0|2,0,0]=4 9857 B12R1.890 CC(C)(C)COCc1ccc[nH]1 ea9944b221d5907d4e4ace8c3483c5f8 [0,2,0,0,0,0|2,0,0]=4 9858 B12R1.890 CC(C)(C)COCc1ccco1 be5a099afe0694b9ba102988dcbca8db [0,2,0,0,0,0|1,1,0]=4 9859 B12R1.890 CC(C)(C)COCc1cccs1 8a8a6834fdbcc5281ec479e9b2052de1 [0,2,0,0,0,0|1,0,0]=3 9860 B12R1.890 CC(C)(C)COCc1ccns1 859ca3b45aaa7b811f62a39dda404914 [0,2,0,0,0,0|2,0,0]=4 9861 B12R1.890 CC(C)(C)COCc1nccs1 1a94f8a005c3774d6354ef6c0fab24b2 [0,2,0,0,0,0|2,0,0]=4 9862 B12R1.890 CC(C)(C)NCCc1cccs1 6bae572a455fa07a436cde159508ae43 [0,2,0,0,0,0|1,0,0]=3 9863 B12R1.890 CC(C)(F)CCNc1ccco1 4f81ebf9ef13e211a28ea431812cd718 [0,2,0,0,0,0|1,1,0]=4 9864 B12R1.890 CC(C)(F)CCNc1cccs1 c112d5484cdea59a11accaf2a7f59084 [0,2,0,0,0,0|1,0,0]=3 9865 B12R1.890 CC(C)(F)CCNc1ccns1 4d29703b25a3e481a59b1d794020342e [0,2,0,0,0,0|2,0,0]=4 9866 B12R1.890 CC(C)(F)CCNc1cncs1 acd0b03b4e59d9e2573322b06024f737 [0,2,0,0,0,0|2,0,0]=4 9867 B12R1.890 CC(C)(F)CCNc1nccs1 5b4e32b73697eb2573dfd1c5d5221255 [0,2,0,0,0,0|2,0,0]=4 9868 B12R1.890 CC(C)(F)CNCc1ccc[nH]1 d79164c39362596bc62ec3997472e2a3 [0,2,0,0,0,0|2,0,0]=4 9869 B12R1.890 CC(C)(F)CNCc1ccco1 9573f3172c655b7d779a804bf30fb681 [0,2,0,0,0,0|1,1,0]=4 9870 B12R1.890 CC(C)(F)CNCc1cccs1 1f9df98d2cc51d6d21f16f6d437b2034 [0,2,0,0,0,0|1,0,0]=3 9871 B12R1.890 CC(C)(F)CNCc1ccns1 d2e1db1c9988727cd42ac0b1f4015b04 [0,2,0,0,0,0|2,0,0]=4 9872 B12R1.890 CC(C)(F)CNCc1cncs1 6404b0d44a4fd6aea412d949e25db8ac [0,2,0,0,0,0|2,0,0]=4 9873 B12R1.890 CC(C)(F)CNCc1nccs1 b20c2edc68f642abb4a8a6cf55015bae [0,2,0,0,0,0|2,0,0]=4 9874 B12R1.890 CC(C)(F)COCc1ccc[nH]1 9a21abf10f4541ba89efbd8653f1531d [0,2,0,0,0,0|2,0,0]=4 9875 B12R1.890 CC(C)(F)COCc1ccco1 c03f884b51a2c34e2eedb0bd04c82ce4 [0,2,0,0,0,0|1,1,0]=4 9876 B12R1.890 CC(C)(F)COCc1cccs1 093a61c3d12a68ceb761b834bd222246 [0,2,0,0,0,0|1,0,0]=3 9877 B12R1.890 CC(C)(F)COCc1ccns1 974b75a2ac03bc74ff7da35d2b27349b [0,2,0,0,0,0|2,0,0]=4 9878 B12R1.890 CC(C)(F)COCc1cncs1 9599f62b9c7f3a40ccf8ba5c0d6adc62 [0,2,0,0,0,0|2,0,0]=4 9879 B12R1.890 CC(C)(F)COCc1nccs1 9013bc0a501530a9d56f1b23499452cc [0,2,0,0,0,0|2,0,0]=4 9880 B12R1.890 CC(C)(O)CCNc1ccco1 12cd5e4693e7bc82cc60a1bc8adb491a [0,2,0,0,0,0|1,1,0]=4 9881 B12R1.890 CC(C)(O)CCNc1cccs1 0d98303edc1b636295c7d6126bf38420 [0,2,0,0,0,0|1,0,0]=3 9882 B12R1.890 CC(C)(O)CCNc1ccns1 f3f52d9bee0040fc2590a44ae34c588f [0,2,0,0,0,0|2,0,0]=4 9883 B12R1.890 CC(C)(O)CCNc1cncs1 3cd7f34d37d53f9b1b3636ea401037e2 [0,2,0,0,0,0|2,0,0]=4 9884 B12R1.890 CC(C)(O)CCNc1nccs1 3c059caa2f3b78b35d6bf4ee6ab4bcd1 [0,2,0,0,0,0|2,0,0]=4 9885 B12R1.890 CC(C)(O)CCOc1ccco1 c1a41ad163e6828ab45758153acad597 [0,2,0,0,0,0|1,1,0]=4 9886 B12R1.890 CC(C)(O)CCOc1cccs1 f97314fcddedd545affd89c426a9c372 [0,2,0,0,0,0|1,0,0]=3 9887 B12R1.890 CC(C)(O)CCOc1nccs1 3e07d9a3707ca54203dfd7e1064da2af [0,2,0,0,0,0|2,0,0]=4 9888 B12R1.890 CC(C)(O)CNCc1ccc[nH]1 82bae6ba9f2da21c9d0f52b845d901d9 [0,2,0,0,0,0|2,0,0]=4 9889 B12R1.890 CC(C)(O)CNCc1ccco1 ecde5d9ee56cd99be725b2ae49cce253 [0,2,0,0,0,0|1,1,0]=4 9890 B12R1.890 CC(C)(O)CNCc1cccs1 67414e766a476547fb0b42019260eb85 [0,2,0,0,0,0|1,0,0]=3 9891 B12R1.890 CC(C)(O)CNCc1ccns1 6d694b262729b55bc46597227076df79 [0,2,0,0,0,0|2,0,0]=4 9892 B12R1.890 CC(C)(O)CNCc1cncs1 8581cd9d1e80a651c55e4a10bf207ff6 [0,2,0,0,0,0|2,0,0]=4 9893 B12R1.890 CC(C)(O)CNCc1nccs1 8fa85940b95d4166e6f96e30f5294e7b [0,2,0,0,0,0|2,0,0]=4 9894 B12R1.890 CC(C)(O)COCc1ccc[nH]1 c9d619be799d17097d6e2fa4dc220b19 [0,2,0,0,0,0|2,0,0]=4 9895 B12R1.890 CC(C)(O)COCc1ccco1 00c9339c691d6e8f8d01425627bcb49a [0,2,0,0,0,0|1,1,0]=4 9896 B12R1.890 CC(C)(O)COCc1cccs1 a778f416a085a1af5b2571271fa6d2f7 [0,2,0,0,0,0|1,0,0]=3 9897 B12R1.890 CC(C)(O)COCc1ccns1 d0eb8743ca49f2aec7f9650ed1ecc292 [0,2,0,0,0,0|2,0,0]=4 9898 B12R1.890 CC(C)(O)COCc1cncs1 a71d0ec18065ce986674a7b8ea2cd67a [0,2,0,0,0,0|2,0,0]=4 9899 B12R1.890 CC(C)(O)COCc1nccs1 b4b370b28733a7f4374bb2bf0b17079a [0,2,0,0,0,0|2,0,0]=4 9900 B12R1.890 CC(C)(S)COCc1ccco1 850773e49732ea991555fdf30641425e [0,2,0,0,0,0|1,1,0]=4 9901 B12R1.890 CC(C)(S)COCc1cccs1 3224efd01c96c98857f1abd0b992d9d3 [0,2,0,0,0,0|1,0,0]=3 9902 B12R1.890 CC(C)(S)COCc1nccs1 a622950c3e30af600e2b41a7d7b27a60 [0,2,0,0,0,0|2,0,0]=4 9903 B12R1.890 CC(F)(F)CCNc1cccs1 0332208c2a17f9ff2c7b525c8ba60aa3 [0,2,0,0,0,0|1,0,0]=3 9904 B12R1.890 CC(F)(F)CCNc1ccns1 f1866ee8929c51fa483c6d417e239e34 [0,2,0,0,0,0|2,0,0]=4 9905 B12R1.890 CC(F)(F)CCNc1cncs1 84d701c3550759f7cb09adc9f66df4c1 [0,2,0,0,0,0|2,0,0]=4 9906 B12R1.890 CC(F)(F)CCNc1nccs1 b4bf5e7c9e39efad5cc3ba1aea2b0dc7 [0,2,0,0,0,0|2,0,0]=4 9907 B12R1.890 CC(F)(F)CCOc1ccco1 28ac8b1229a8933f9a61f6be76d28dbb [0,2,0,0,0,0|1,1,0]=4 9908 B12R1.890 CC(F)(F)CCOc1cccs1 0248612bbb5b218bc3df5f74fd709af5 [0,2,0,0,0,0|1,0,0]=3 9909 B12R1.890 CC(F)(F)CCOc1nccs1 053026b979cdd8ae3eed7462fa1b311a [0,2,0,0,0,0|2,0,0]=4 9910 B12R1.890 CC(F)(F)CNCc1ccc[nH]1 ea2d0e6f6435143623d50646594abf3c [0,2,0,0,0,0|2,0,0]=4 9911 B12R1.890 CC(F)(F)CNCc1ccco1 c0ecd63bdda99c69d7084c603ae753d8 [0,2,0,0,0,0|1,1,0]=4 9912 B12R1.890 CC(F)(F)CNCc1cccs1 6e188afce96c367d845539baef5c594d [0,2,0,0,0,0|1,0,0]=3 9913 B12R1.890 CC(F)(F)CNCc1ccns1 75782ce77880c5eb668b96e5176d273d [0,2,0,0,0,0|2,0,0]=4 9914 B12R1.890 CC(F)(F)CNCc1cncs1 6e0162078d8d08bb03983cca0a09c40d [0,2,0,0,0,0|2,0,0]=4 9915 B12R1.890 CC(F)(F)CNCc1nccs1 a867ebb406033aad0c9682f99cc9f5b1 [0,2,0,0,0,0|2,0,0]=4 9916 B12R1.890 CC(F)(F)COCc1ccc[nH]1 b0f260b6a964f68985767bcf1f581fa7 [0,2,0,0,0,0|2,0,0]=4 9917 B12R1.890 CC(F)(F)COCc1ccco1 e416f2671128bfbaa7606d666b546756 [0,2,0,0,0,0|1,1,0]=4 9918 B12R1.890 CC(F)(F)COCc1cccs1 31c2a4be6444c8f70cfcc1bcdfe9f32d [0,2,0,0,0,0|1,0,0]=3 9919 B12R1.890 CC(F)(F)COCc1ccns1 526511a7840d09b6bff6bca2b5d3456f [0,2,0,0,0,0|2,0,0]=4 9920 B12R1.890 CC(F)(F)COCc1nccs1 b716d7552cc5be454fd03897d0ef33d2 [0,2,0,0,0,0|2,0,0]=4 9921 B12R1.890 CS(=O)(=O)CCNc1cccs1 6e3a9fc5faa5bd10834bb9109333b39c [0,2,0,0,0,0|2,0,0]=4 9922 B12R1.890 CS(=O)(=O)CNCc1cccs1 bc5af82ddc8d772934c3de30a282fa26 [0,2,0,0,0,0|2,0,0]=4 9923 B12R1.890 FC(F)(Br)COCc1cccs1 3d045ec7fc0fac9f42574a1407662f22 [0,2,0,0,0,0|2,0,0]=4 9924 B12R1.890 FC(F)(Cl)COCc1cccs1 90cfdde9c486b8a53de487679c650fb2 [0,2,0,0,0,0|2,0,0]=4 9925 B12R1.890 FC(F)(F)CCNc1cccs1 c7cf64e2c1e9f97cac28d8d5465b092d [0,2,0,0,0,0|2,0,0]=4 9926 B12R1.890 FC(F)(F)CCOc1cccs1 7111f919fdb6c44fc65138fcf8e069ad [0,2,0,0,0,0|2,0,0]=4 9927 B12R1.890 FC(F)(F)CNCc1cccs1 accfce69ac7100bc947c2fb523b023dd [0,2,0,0,0,0|2,0,0]=4 9928 B12R1.890 FC(F)(F)COCc1cccs1 230fd5b0fe8658577927fb54b291f40e [0,2,0,0,0,0|2,0,0]=4 9929 B12R1.45 CCCCNc1[nH]ccc1C#N 03840acf8807332686c73a0b36a88b1f [0,2,0,0,0,0|2,0,0]=4 9930 B12R1.45 CCCCNc1occc1C#N 80c57adfc1dda08f1fd86bb60f814a5b [0,2,0,0,0,0|1,1,0]=4 9931 B12R1.45 CCCCNc1sccc1C#N 20522cde8286b094acce5abbd9284c59 [0,2,0,0,0,0|1,0,0]=3 9932 B12R1.45 CCCCNc1sccc1C=O 5f6fa5352ac831dbe35891c9f8a68e41 [0,2,0,0,0,0|1,0,0]=3 9933 B12R1.45 CCCCNc1sccc1CC fb15f59f5b5e64f05020e287d94fae1d [0,2,0,0,0,0|1,0,0]=3 9934 B12R1.45 CCCCNc1sccc1CO 32d3d3f727c7432b184225e0c720debe [0,2,0,0,0,0|1,0,0]=3 9935 B12R1.45 CCCCNc1scnc1C=O 547aca52c3481bccc8c954ba96e75f2a [0,2,0,0,0,0|2,0,0]=4 9936 B12R1.45 CCCCNc1scnc1CO 5c2a565187fae6b31cf0450f3d91f2bd [0,2,0,0,0,0|2,0,0]=4 9937 B12R1.45 CCCCNc1sncc1C#N dbe38524d092738534b1b8cc00b0929c [0,2,0,0,0,0|2,0,0]=4 9938 B12R1.45 CCCNCc1sccc1OC 61b1673851a7513f1cee6a74a9f2aabd [0,2,0,0,0,0|1,0,0]=3 9939 B12R1.45 CCOCNc1sccc1C#N 77962130d4fdf093be4a8446904836b9 [0,2,0,0,0,0|2,0,0]=4 9940 B12R1.45 CCc1ccsc1NCCCCl 93fe767aff26ee53fcd1801d2cbd2fc1 [0,2,0,0,0,0|2,0,0]=4 9941 B12R1.45 CCc1ccsc1NCCCO 72215a9a8eaa3a877885ee7222e007ec [0,2,0,0,0,0|2,0,0]=4 9942 B12R1.45 CCc1ccsc1NCCOC b9447ea9d9a987ea66c19abf754777a9 [0,2,0,0,0,0|2,0,0]=4 9943 B12R1.45 CCc1ccsc1NCCSC 36fbab07aba93dd43cd8c8649cc1b935 [0,2,0,0,0,0|2,0,0]=4 9944 B12R1.45 COCCNc1sccc1C#N 69fea993b997955fe1ed9beb574d724e [0,2,0,0,0,0|2,0,0]=4 9945 B12R1.45 COCCNc1sccc1C=O ab4d04006e27c394d8551097da5e6c56 [0,2,0,0,0,0|2,0,0]=4 9946 B12R1.45 COCCNc1sccc1CO 55247508a8b0ea76454cd099212fa46c [0,2,0,0,0,0|2,0,0]=4 9947 B12R1.45 COCNCc1sccc1OC 3208ac2a6ae71377f959e49f9941f492 [0,2,0,0,0,0|2,0,0]=4 9948 B12R1.45 COc1ccsc1CNCCF 54777ac1db3191311e8e598694226c3f [0,2,0,0,0,0|2,0,0]=4 9949 B12R1.45 COc1ccsc1CNCCO 6f791e9d22092cb582c09d38a59bb0ae [0,2,0,0,0,0|2,0,0]=4 9950 B12R1.45 COc1ccsc1CNCCS 1975e3b4677d5bcb99a580e50a680573 [0,2,0,0,0,0|2,0,0]=4 9951 B12R1.45 COc1ccsc1CNCSC b28600f4351f13fc9ed68fc208acd4f4 [0,2,0,0,0,0|2,0,0]=4 9952 B12R1.45 CSCCNc1sccc1C#N 919a9ddbbee505787cf2fef17a0d120b [0,2,0,0,0,0|2,0,0]=4 9953 B12R1.45 CSCCNc1sccc1CO 0ae843967ad68e2c7c19ea79b41dbb7f [0,2,0,0,0,0|2,0,0]=4 9954 B12R1.45 N#Cc1ccsc1NCCCCl b5e1a829f2173fecb113c271e41001d0 [0,2,0,0,0,0|2,0,0]=4 9955 B12R1.45 N#Cc1ccsc1NCCCF 0d9db6548b5572e56b3f27e0315ffd0f [0,2,0,0,0,0|2,0,0]=4 9956 B12R1.45 N#Cc1ccsc1NCCCO 20b99b4b23e9c0e00fe37fe6b283d32e [0,2,0,0,0,0|2,0,0]=4 9957 B12R1.45 N#Cc1ccsc1NCCCS adefa4ed0c2ddbf7ce7dd7abe397b4d4 [0,2,0,0,0,0|2,0,0]=4 9958 B12R1.45 O=Cc1ccsc1NCCCCl 52986ee68a33e326b50ac3476a7820db [0,2,0,0,0,0|2,0,0]=4 9959 B12R1.45 O=Cc1ccsc1NCCCO 19e524588a97c8b41f6a0fc6de31eca6 [0,2,0,0,0,0|2,0,0]=4 9960 B12R1.45 OCCCNc1sccc1CO d0b46d255fa70dfd4af95f7fe7f23bff [0,2,0,0,0,0|2,0,0]=4 9961 B12R1.45 OCc1ccsc1NCCCCl ef6666c925a5eab6a2553b6a105704fa [0,2,0,0,0,0|2,0,0]=4 9962 B10R1.177 C/C=C/C=C/COC1CC1 5c05973d75bb24ca00604531093c8de4 [0,0,1,1,0,0|2,0,0]=4 9963 B10R1.177 CC=CC=CCOC1CC1 15ba2c3acdf55f16ebfa0709d613ba12 [0,0,1,1,0,0|2,0,0]=4 9964 B10R2.193 c1cc(sn1)NC2CC2 8cf82130360e591a9a7c3cb28260c3c2 [1,0,0,1,0,0|2,0,0]=4 9965 B10R2.193 c1coc(c1)OC2CC2 8985027cbca38de40f7977ffc4fa9731 [1,0,0,1,0,0|1,1,0]=4 9966 B10R2.193 c1csc(n1)NC2CC2 8b25791cb25d86e962191a5c0fa30087 [1,0,0,1,0,0|2,0,0]=4 9967 B12R2.1 CCN1CCc2c1cccn2 c6dc67a825bc35ffc313764f68fe419e [0,0,0,1,0,1|2,0,0]=4 9968 B12R2.1 CCN1CCc2c1ccnc2 1336a1241175b4a8fca67f4db3577c1b [0,0,0,1,0,1|2,0,0]=4 9969 B12R2.1 CCN1CCc2c1cncc2 28fbe5c10ed83bf591b4c3945d902409 [0,0,0,1,0,1|2,0,0]=4 9970 B12R2.1 CCN1CCc2c1nccc2 12def77c50510f33b92190b9b59aae18 [0,0,0,1,0,1|2,0,0]=4 9971 B12R2.1 CCN1CCc2c1nccn2 3a03a9b80da9220833252a85218386b2 [0,0,0,1,0,1|2,0,0]=4 9972 B12R2.11 CC1CC1Nc2ccccc2 6c2b1ed9451679c2c2b0f3748602bd6d [0,0,0,1,0,1|2,0,0]=4 9973 B12R2.11 CC1CC1Nc2cccnc2 e0f55178f08b4b2b54d9d876d97d2290 [0,0,0,1,0,1|2,0,0]=4 9974 B12R2.27 CCN1CC1c2ccccc2 9688627107d4117581407497e721ccee [0,0,0,1,0,1|2,0,0]=4 9975 B12R2.27 CCN1C[C@@H]1c2ccccc2 c32dec6f3160b9b7bc8c2839caf72878 [0,0,0,1,0,1|2,0,0]=4 9976 B12R2.931 CCOC1Cc2c1cccc2 3c89ff4e209e0c2fdac6354471a794bb [0,0,0,1,0,1|2,0,0]=4 9977 B12R2.2057 c1cc(ccn1)COC2CC2 da3247f4bbaea1ae4c65fbee8045d76d [0,0,0,1,0,1|2,0,0]=4 9978 B12R2.2057 c1cc(ccn1)NCC2CC2 849918da92a0c0498a218bfd0f4ee058 [0,0,0,1,0,1|2,0,0]=4 9979 B12R2.2057 c1cc(ccn1)OCC2CC2 c00853e2b14f5a610ec89d61eadf6a66 [0,0,0,1,0,1|2,0,0]=4 9980 B12R2.2057 c1cc(ncn1)CNC2CC2 607a93e9573f0955e8a4018ddea58dfa [0,0,0,1,0,1|2,0,0]=4 9981 B12R2.2057 c1cc(ncn1)COC2CC2 81da20e8bc039a37530fbd5d1424e639 [0,0,0,1,0,1|2,0,0]=4 9982 B12R2.2057 c1cc(ncn1)NCC2CC2 0b7284e426d35bba207ddb7cef0d63f2 [0,0,0,1,0,1|2,0,0]=4 9983 B12R2.2057 c1ccc(cc1)CNC2CC2 0722218fcfefdcb8b8f0e8dc60326858 [0,0,0,1,0,1|2,0,0]=4 9984 B12R2.2057 c1ccc(cc1)COC2CC2 4f6efb1abdd284b3ec5fbe724b10a332 [0,0,0,1,0,1|2,0,0]=4 9985 B12R2.2057 c1ccc(cc1)NCC2CC2 14003b7d6af1ed476ecb017534f042ad [0,0,0,1,0,1|2,0,0]=4 9986 B12R2.2057 c1ccc(nc1)CNC2CC2 072625a4614190be9cbf10388fa5861b [0,0,0,1,0,1|2,0,0]=4 9987 B12R2.2057 c1ccc(nc1)COC2CC2 abde439d2a0ddaaa61aa7afca3b1da4d [0,0,0,1,0,1|2,0,0]=4 9988 B12R2.2057 c1ccc(nc1)NCC2CC2 a4bb220accadbaa000279249a4daf5cf [0,0,0,1,0,1|2,0,0]=4 9989 B12R2.2057 c1ccc(nc1)OCC2CC2 05ede210d3ae4cc4a2c3f7154d855ada [0,0,0,1,0,1|2,0,0]=4 9990 B12R2.2057 c1cnc(cn1)COC2CC2 fdc47d726f6cd28e1efa561853273f47 [0,0,0,1,0,1|2,0,0]=4 9991 B12R2.2057 c1cnc(cn1)NCC2CC2 a6ff6ae7eefb0681b8e64d1d299083be [0,0,0,1,0,1|2,0,0]=4 9992 B12R2.2057 c1cnc(cn1)OCC2CC2 b2726dc332261b3161c83cefeba4125b [0,0,0,1,0,1|2,0,0]=4 9993 B12R2.2057 c1cnc(nc1)CNC2CC2 7038fd05b2ef00331cb1adfd11eb9677 [0,0,0,1,0,1|2,0,0]=4 9994 B12R2.2057 c1cnc(nc1)COC2CC2 e4bd87d14e894bedbf03d18ff8ef7f2f [0,0,0,1,0,1|2,0,0]=4 9995 B12R2.2057 c1cnc(nc1)NCC2CC2 a4ccd00b4bac58720d9d1f0c5fd2db77 [0,0,0,1,0,1|2,0,0]=4 9996 B12R2.2057 c1cnc(nc1)OCC2CC2 9908e1fbd3e582816905ad7a5e8bbf5a [0,0,0,1,0,1|2,0,0]=4 9997 B12R2.2057 c1cncc(c1)CNC2CC2 de74061854556603c3b7f6c7b31bcca1 [0,0,0,1,0,1|2,0,0]=4 9998 B12R2.2057 c1cncc(c1)COC2CC2 4f1f4bbe9c5cccaf786a2469b1a1b939 [0,0,0,1,0,1|2,0,0]=4 9999 B12R2.2057 c1cncc(c1)NCC2CC2 116af6c2af65d4c96c0cfbf27938bace [0,0,0,1,0,1|2,0,0]=4 10000 B12R2.2057 c1cncc(c1)OCC2CC2 6e3515b4fef3884dcd9b31bc8938b0e1 [0,0,0,1,0,1|2,0,0]=4 10001 B12R2.2057 c1cnnc(c1)CNC2CC2 514c968ed269ecf84ec95620d443c6f3 [0,0,0,1,0,1|2,0,0]=4 10002 B12R2.2057 c1cnnc(c1)COC2CC2 5647e20affbc8a5d9e818133ea4a6290 [0,0,0,1,0,1|2,0,0]=4 10003 B12R2.2057 c1cnnc(c1)NCC2CC2 fd86c67f390e8038e0981f3804df0169 [0,0,0,1,0,1|2,0,0]=4 10004 B12R2.2058 c1cc(ccn1)NC2CCC2 ff52b84334e7a4aaf2d6969c56a15034 [0,0,0,1,0,1|2,0,0]=4 10005 B12R2.2058 c1cc(ncn1)CN2CCC2 2c3f0723d6a6c39b79fc11c5b6517191 [0,0,0,1,0,1|2,0,0]=4 10006 B12R2.2058 c1ccc(cc1)CN2CCC2 79f0a156a4476249fe3e90dbe2fa6274 [0,0,0,1,0,1|2,0,0]=4 10007 B12R2.2058 c1ccc(nc1)CN2CCC2 ad09a5bf93c910029918799e4e089e07 [0,0,0,1,0,1|2,0,0]=4 10008 B12R2.2058 c1ccc(nc1)NC2CCC2 fb43cdd397450ab6a78add51a3593170 [0,0,0,1,0,1|2,0,0]=4 10009 B12R2.2058 c1ccc(nc1)OC2CCC2 01ad94c84aae3cf4e74cc0f7661c85b5 [0,0,0,1,0,1|2,0,0]=4 10010 B12R2.2058 c1cnc(cn1)NC2CCC2 44336cb13f75395d2c0705f2ea1af01f [0,0,0,1,0,1|2,0,0]=4 10011 B12R2.2058 c1cnc(nc1)CN2CCC2 e49193a30133e7c17126c4ae8f6bba56 [0,0,0,1,0,1|2,0,0]=4 10012 B12R2.2058 c1cnc(nc1)NC2CCC2 87105cdc2fd6ed90dabb412e16866fdf [0,0,0,1,0,1|2,0,0]=4 10013 B12R2.2058 c1cnc(nc1)OC2CCC2 80c1d6d72ca9dfb2721cf7eb39eba55e [0,0,0,1,0,1|2,0,0]=4 10014 B12R2.2058 c1cncc(c1)CN2CCC2 b1361fa162d89a1875554b0e74a89d35 [0,0,0,1,0,1|2,0,0]=4 10015 B12R2.2058 c1cncc(c1)NC2CCC2 dd91e6f1e99e09367d72a057d00ff1a5 [0,0,0,1,0,1|2,0,0]=4 10016 B12R2.2058 c1cncc(c1)OC2CCC2 7a6fdcb9cb0be6f7ba06c65562ff0c48 [0,0,0,1,0,1|2,0,0]=4 10017 B12R2.2058 c1cnnc(c1)CN2CCC2 6ffec972d2f9ac52f4eceae0deced11c [0,0,0,1,0,1|2,0,0]=4 10018 B12R2.12 CC1OCC1Nc2ccco2 b52dc9dc99b7025047fb669a58d1941f [0,1,0,1,0,0|1,1,0]=4 10019 B12R2.12 CC1OCC1Nc2cccs2 f060831b3437f8f46688cfd646ae2d72 [0,1,0,1,0,0|1,0,0]=3 10020 B12R2.12 CC1OCC1Nc2ccns2 af5a5c408d97ffe9b32a6ee90a3d124e [0,1,0,1,0,0|2,0,0]=4 10021 B12R2.12 CC1OCC1Nc2nccs2 e8973524fc2aa639c110daddcb102038 [0,1,0,1,0,0|2,0,0]=4 10022 B12R2.12 C[C@@H]1CC[C@@H]1Nc2ccns2 ef85248034761b13a66afb10830356c8 [0,1,0,1,0,0|1,0,0]=3 10023 B12R2.12 C[C@@H]1CC[C@@H]1Nc2ccoc2 27d6b8467f1ab1d618cb8aceb4ad9833 [0,1,0,1,0,0|2,0,0]=4 10024 B12R2.12 C[C@@H]1CC[C@@H]1Nc2ncc[nH]2 593aacf79646905ffa8947ca8a505463 [0,1,0,1,0,0|2,0,0]=4 10025 B12R2.12 C[C@@H]1CC[C@@H]1Nc2ncco2 c59ab116e1f883f0a521e92005832526 [0,1,0,1,0,0|1,1,0]=4 10026 B12R2.12 C[C@@H]1CC[C@@H]1Nc2nccs2 78441af762458f0b5d6f98af5076415e [0,1,0,1,0,0|1,0,0]=3 10027 B12R2.12 C[C@@H]1CC[C@H]1Nc2ccns2 07074f060e9ed2077ffb6fddc0d4ed64 [0,1,0,1,0,0|1,0,0]=3 10028 B12R2.12 C[C@@H]1CC[C@H]1Nc2ccoc2 556b1ca68594a2e8c52356d6727476e2 [0,1,0,1,0,0|2,0,0]=4 10029 B12R2.12 C[C@@H]1CC[C@H]1Nc2ncc[nH]2 19f90214f11f16e3cfea713de1c1e7c2 [0,1,0,1,0,0|2,0,0]=4 10030 B12R2.12 C[C@@H]1CC[C@H]1Nc2ncco2 2ae97608841730f0a2621bb72bec0384 [0,1,0,1,0,0|1,1,0]=4 10031 B12R2.12 C[C@@H]1CC[C@H]1Nc2nccs2 db7b2279fe5cec519fdec75c82df3383 [0,1,0,1,0,0|1,0,0]=3 10032 B12R2.12 FC1CCC1Nc2ccco2 c2f2143934304161b5e418b9bccd8d0a [0,1,0,1,0,0|1,1,0]=4 10033 B12R2.12 FC1CCC1Nc2ccns2 ca87379edada6dd80678eff8dbc06ec9 [0,1,0,1,0,0|2,0,0]=4 10034 B12R2.12 FC1CCC1Nc2nccs2 2227d9c507d329b7a24e56bf6a02976b [0,1,0,1,0,0|2,0,0]=4 10035 B12R2.12 OC1CCC1Nc2ccns2 38613c69e28371fa8ab2178ec9aa69c2 [0,1,0,1,0,0|2,0,0]=4 10036 B12R2.12 OC1CCC1Nc2nccs2 43d6f25d9729aed8b238cd39fea08368 [0,1,0,1,0,0|2,0,0]=4 10037 B12R2.12 O[C@@H]1CC[C@@H]1Nc2ccns2 5633e5791ef005611cad9bf2bd36ed8a [0,1,0,1,0,0|2,0,0]=4 10038 B12R2.12 O[C@@H]1CC[C@@H]1Nc2nccs2 45833b6e38bb6c23e3660363d957aa48 [0,1,0,1,0,0|2,0,0]=4 10039 B12R2.12 O[C@@H]1CC[C@H]1Nc2ccns2 48410a26a1075483dc79de612c8f4d49 [0,1,0,1,0,0|2,0,0]=4 10040 B12R2.12 O[C@@H]1CC[C@H]1Nc2nccs2 37ca5831d060e2308ba038470d7de05d [0,1,0,1,0,0|2,0,0]=4 10041 B12R2.12 O[C@H]1CC[C@@H]1Nc2ccns2 4b3a33c7937fb7028c00e9eedeb0d241 [0,1,0,1,0,0|2,0,0]=4 10042 B12R2.12 O[C@H]1CC[C@@H]1Nc2nccs2 0fe5535369a1671a501e73a8f8d9148e [0,1,0,1,0,0|2,0,0]=4 10043 B12R2.12 O[C@H]1CC[C@H]1Nc2ccns2 f692b22a71f52b9bad988e62d52ad592 [0,1,0,1,0,0|2,0,0]=4 10044 B12R2.12 O[C@H]1CC[C@H]1Nc2nccs2 1d825278819b3ccca1e86c9cd6b3e93e [0,1,0,1,0,0|2,0,0]=4 10045 B12R2.20 CC1CC1NCc2ccco2 d45a74e4af0e9cd75efd4ea61f9362ca [0,1,0,1,0,0|0,1,0]=3 10046 B12R2.20 CC1CC1NCc2cccs2 642a1de46ec93d92337d088e98f33c6e [0,1,0,1,0,0|0,0,0]=2 10047 B12R2.20 CC1CC1NCc2ccno2 7c124b4a39d66dc09dfc22deaa06f87b [0,1,0,1,0,0|1,1,0]=4 10048 B12R2.20 CC1CC1NCc2ccon2 0e23054ae1a8eda2eec2740853f511a6 [0,1,0,1,0,0|2,0,0]=4 10049 B12R2.20 CC1CC1NCc2ccsc2 56f8b6f49942b6d607b326a3cd27ad78 [0,1,0,1,0,0|2,0,0]=4 10050 B12R2.20 CC1CC1NCc2cnc[nH]2 7830e3e5cbdc4cc40c71f4972932f0db [0,1,0,1,0,0|2,0,0]=4 10051 B12R2.20 CC1CC1NCc2cocn2 df86b926456979640a42bb99fb6d0c3a [0,1,0,1,0,0|2,0,0]=4 10052 B12R2.20 CC1CC1NCc2cscn2 ae33dab061ac228d93db8252023a8e69 [0,1,0,1,0,0|2,0,0]=4 10053 B12R2.20 CC1CC1NCc2ncc[nH]2 356b78b1cc0ecf1c38ff63de277066ba [0,1,0,1,0,0|2,0,0]=4 10054 B12R2.20 CC1CC1NCc2ncco2 06ecb622690a46b2da8984f4c95d0389 [0,1,0,1,0,0|1,1,0]=4 10055 B12R2.20 CC1CC1NCc2nccs2 efc32b5810283affab1bd6c06d73aae2 [0,1,0,1,0,0|1,0,0]=3 10056 B12R2.20 F[C@@H]1C[C@@H]1NCc2ccco2 c71661015d4c156fc3598638b29cbe8e [0,1,0,1,0,0|1,1,0]=4 10057 B12R2.20 F[C@@H]1C[C@@H]1NCc2cccs2 e5b3417edfc0332e596dc8ec59bfa12f [0,1,0,1,0,0|1,0,0]=3 10058 B12R2.20 F[C@@H]1C[C@@H]1NCc2nccs2 4278103067e0f8b69ef0521d0f442dbb [0,1,0,1,0,0|2,0,0]=4 10059 B12R2.20 F[C@@H]1C[C@H]1NCc2ccco2 0461497ed8ed0986646d8bf9a2e717b9 [0,1,0,1,0,0|1,1,0]=4 10060 B12R2.20 F[C@@H]1C[C@H]1NCc2cccs2 372176f6da044350f26858662b2bd319 [0,1,0,1,0,0|1,0,0]=3 10061 B12R2.20 F[C@@H]1C[C@H]1NCc2nccs2 eca0d9f59de7679b121dbc6515ea5256 [0,1,0,1,0,0|2,0,0]=4 10062 B12R2.20 F[C@H]1C[C@@H]1NCc2ccco2 bc8b1a5614a0f44e8b9fada3aa46a8d2 [0,1,0,1,0,0|1,1,0]=4 10063 B12R2.20 F[C@H]1C[C@@H]1NCc2cccs2 7d240b548ea5162bb49df15bdb2cf064 [0,1,0,1,0,0|1,0,0]=3 10064 B12R2.20 F[C@H]1C[C@@H]1NCc2nccs2 34a27f2b2c2ebe5b76513c5dc5a31ce3 [0,1,0,1,0,0|2,0,0]=4 10065 B12R2.25 CCOCC1CC12C=CC=C2 b6fdd18411ea168e988cb13fe7b58c4b [0,1,0,1,0,0|1,0,1]=4 10066 B12R2.33 CO[C@H]1C[C@H]1Nc2ccco2 f95adae03f51971281276cbac81f0234 [0,1,0,1,0,0|1,1,0]=4 10067 B12R2.33 CO[C@H]1C[C@H]1Nc2cccs2 0b474d1c9017debcea4a2086d043baba [0,1,0,1,0,0|1,0,0]=3 10068 B12R2.33 CO[C@H]1C[C@H]1Nc2ccns2 19550814beccfa9e676f41e47f143bdf [0,1,0,1,0,0|2,0,0]=4 10069 B12R2.33 CO[C@H]1C[C@H]1Nc2cncs2 6d415dc8a1b3b2c58baba89504e51bf5 [0,1,0,1,0,0|2,0,0]=4 10070 B12R2.33 CO[C@H]1C[C@H]1Nc2nccs2 86a1c9e788adf6092a06f2c0364dbf22 [0,1,0,1,0,0|2,0,0]=4 10071 B12R2.33 O=CC1CC1Nc2cccs2 0035fcdf5acc41506dfb5bb9fb5a7afa [0,1,0,1,0,0|1,0,1]=4 10072 B12R2.33 O=CC1CC1Oc2cccs2 982e3f63bcef355c2a015acc80877a3c [0,1,0,1,0,0|1,0,1]=4 10073 B12R2.33 OC[C@@H]1C[C@@H]1Nc2ccns2 5544639daec6915121e72115f242123f [0,1,0,1,0,0|2,0,0]=4 10074 B12R2.33 OC[C@@H]1C[C@@H]1Nc2nccs2 a741a73ada77e7bb58f1aeade3593dfa [0,1,0,1,0,0|2,0,0]=4 10075 B12R2.33 OC[C@@H]1C[C@H]1Nc2ccns2 e6c2f61b718a508148d16eb598ad1f8c [0,1,0,1,0,0|2,0,0]=4 10076 B12R2.33 OC[C@@H]1C[C@H]1Nc2nccs2 9d9cdd7e63a7d01569a3dae983bc72e9 [0,1,0,1,0,0|2,0,0]=4 10077 B12R2.33 OC[C@H]1C[C@@H]1Nc2ccns2 f6942e847c32b1f455326f65de6af41a [0,1,0,1,0,0|2,0,0]=4 10078 B12R2.33 OC[C@H]1C[C@@H]1Nc2nccs2 e3582721a05ced410b0ccb73514bfa08 [0,1,0,1,0,0|2,0,0]=4 10079 B12R2.98 C1=CCN(C1)Cc2cccs2 9ed19598a3ee0686601773b6cae0cc15 [0,1,0,1,0,0|0,0,2]=4 10080 B12R2.98 c1c[nH]c(n1)NC2CCCC2 dfb2be811fe335795d1b391d87f840e8 [0,1,0,1,0,0|2,0,0]=4 10081 B12R2.98 c1cc([nH]n1)OC2CCCC2 d31b5d6922e6b4469faddc65a30b15a3 [0,1,0,1,0,0|2,0,0]=4 10082 B12R2.98 c1cc(cs1)NC2CCCC2 d0352dadbf1e635e1311748ad7cef688 [0,1,0,1,0,0|2,0,0]=4 10083 B12R2.98 c1cc(cs1)OC2CCCC2 e6919b185cca78c87e3721ea491c725d [0,1,0,1,0,0|2,0,0]=4 10084 B12R2.98 c1cc(n[nH]1)NC2CCCC2 ce449679014187fa5f1218272560acc7 [0,1,0,1,0,0|2,0,0]=4 10085 B12R2.98 c1cc(on1)NC2CCCC2 dec387a1257784cc52b6a80cc32ede73 [0,1,0,1,0,0|1,1,0]=4 10086 B12R2.98 c1cc(sn1)NC2CCCC2 4acf338fa6b48467afcd5f8b5d0d132c [0,1,0,1,0,0|1,0,0]=3 10087 B12R2.98 c1cc(sn1)NC2CCOC2 6e8ffc7e2f668de2aeef6e1c36b892bf [0,1,0,1,0,0|2,0,0]=4 10088 B12R2.98 c1cnn(c1)OC2CCCC2 16ecb06c0b2e2be4d376c63fd4681096 [0,1,0,1,0,0|2,0,0]=4 10089 B12R2.98 c1coc(c1)CN2CCSC2 97b43035dd797ca54055f9c2d6e6e543 [0,1,0,1,0,0|1,1,0]=4 10090 B12R2.98 c1coc(c1)OC2CCCC2 be7161a100e5dcffc6a2df0c717e5c1a [0,1,0,1,0,0|0,1,0]=3 10091 B12R2.98 c1coc(c1)OC2CCOC2 1f20704effec06ebb279591f21bedea0 [0,1,0,1,0,0|1,1,0]=4 10092 B12R2.98 c1coc(c1)O[C@@H]2CCOC2 ea5965cbe74e4c382092b8c892daee60 [0,1,0,1,0,0|1,1,0]=4 10093 B12R2.98 c1coc(c1)O[C@H]2CCOC2 d83e09578173317993635fae19017188 [0,1,0,1,0,0|1,1,0]=4 10094 B12R2.98 c1csc(c1)CN2CCSC2 b4cdcb4eab790e497d82a8c4d61224cd [0,1,0,1,0,0|1,0,0]=3 10095 B12R2.98 c1csc(n1)CN2CCSC2 0d1c5b8fb1471eb32e1563c67aa79db0 [0,1,0,1,0,0|2,0,0]=4 10096 B12R2.98 c1csc(n1)NC2CCCC2 b32538d5cf39e8e7e27dc546fa8a951c [0,1,0,1,0,0|1,0,0]=3 10097 B12R2.98 c1csc(n1)NC2CCOC2 c1cae6e091d0c278c267e02b456e07e2 [0,1,0,1,0,0|2,0,0]=4 10098 B12R2.98 c1csc(n1)NC2CCSC2 fd62d338e452d951f58854bf1ad431f4 [0,1,0,1,0,0|2,0,0]=4 10099 B12R2.98 c1csc(n1)N[C@@H]2CCOC2 faa10f73db7ddafd73a12d19ed4d24b1 [0,1,0,1,0,0|2,0,0]=4 10100 B12R2.98 c1csc(n1)N[C@H]2CCOC2 1f8695d501272bb074e97edfe45605e0 [0,1,0,1,0,0|2,0,0]=4 10101 B12R2.98 c1csc(n1)OC2CCCC2 831c7b33ac113b37529a2e2cf7fed0eb [0,1,0,1,0,0|1,0,0]=3 10102 B12R2.98 c1nc(c[nH]1)OC2CCCC2 7b1ab6eae5cfb82aaa88e53c3d9a6ffa [0,1,0,1,0,0|2,0,0]=4 10103 B12R2.144 CCCN1CCn2c1ccn2 e59579b94b8ad12b77a003ee0792be73 [0,1,0,1,0,0|2,0,0]=4 10104 B12R2.144 CCNC1CCc2c1ccs2 8e7cd6179a9e028b3d1d2bd072e43415 [0,1,0,1,0,0|0,0,0]=2 10105 B12R2.144 CCOC1CCc2c1ccs2 c18612be6c48e84992cdf5bbef17faae [0,1,0,1,0,0|0,0,0]=2 10106 B12R2.144 CCOC1CCn2c1ccn2 c09c4883ae252a4ccbaaf695fcc7a670 [0,1,0,1,0,0|2,0,0]=4 10107 B12R2.144 FCNC1CCc2c1ccs2 d5f1d4394d78e2d3bd13f2de9a22c454 [0,1,0,1,0,0|1,0,0]=3 10108 B12R2.144 FCOC1CCc2c1ccs2 8ab89494747a1457995180cfeffc553a [0,1,0,1,0,0|1,0,0]=3 10109 B12R2.144 O=CNC1CCc2c1ccs2 f3d9c91a0996696223c401446398a144 [0,1,0,1,0,0|1,0,1]=4 10110 B12R2.144 OCNC1CCc2c1ccs2 acdb9f455d37a4ff597f089042281650 [0,1,0,1,0,0|1,0,0]=3 10111 B12R2.315 CCN1CCCc2c1cn[nH]2 97a23489e6a7c9d1de98b1d87f8752cf [0,1,0,1,0,0|2,0,0]=4 10112 B12R2.315 CCN1CCCn2c1ccn2 f611a9a6e54b9b59bd33276e1ae99932 [0,1,0,1,0,0|2,0,0]=4 10113 B12R2.2056 c1c[nH]c(c1)CNC2CCC2 2cb1c8aee424f325cf0c629bf0240089 [0,1,0,1,0,0|1,0,0]=3 10114 B12R2.2056 c1c[nH]c(c1)CNC2COC2 02506bb6a9207291337de46322e224b4 [0,1,0,1,0,0|2,0,0]=4 10115 B12R2.2056 c1c[nH]c(c1)COC2CCC2 315c943cca824274b5fb9c7b3b9e9cee [0,1,0,1,0,0|1,0,0]=3 10116 B12R2.2056 c1c[nH]c(c1)COC2COC2 ed6134dc213bd48d885d07dd8b52a17a [0,1,0,1,0,0|2,0,0]=4 10117 B12R2.2056 c1c[nH]c(n1)CNC2CCC2 e8b246b39c5662755c1adc64adddde55 [0,1,0,1,0,0|2,0,0]=4 10118 B12R2.2056 c1c[nH]c(n1)COC2CCC2 ec5b67099e6486f5b0d364860fda14c5 [0,1,0,1,0,0|2,0,0]=4 10119 B12R2.2056 c1c[nH]c(n1)NCC2CCC2 d8be5b6c707e094ec8580478860bf304 [0,1,0,1,0,0|2,0,0]=4 10120 B12R2.2056 c1cc([nH]n1)CNC2CCC2 27117075d60a4e9b60934dda03c6648a [0,1,0,1,0,0|2,0,0]=4 10121 B12R2.2056 c1cc([nH]n1)COC2CCC2 134d703905f99178cc822777d9a96daf [0,1,0,1,0,0|2,0,0]=4 10122 B12R2.2056 c1cc([nH]n1)OCC2CCC2 ce2c7460998b47ee46ae14a5ac056d9b [0,1,0,1,0,0|2,0,0]=4 10123 B12R2.2056 c1cc(c[nH]1)CNC2CCC2 f535a659ec8fbdd84e54cd9763435343 [0,1,0,1,0,0|2,0,0]=4 10124 B12R2.2056 c1cc(c[nH]1)COC2CCC2 eaeb1986e975a03b828c4df9a18fa951 [0,1,0,1,0,0|2,0,0]=4 10125 B12R2.2056 c1cc(cs1)CCN2CCC2 6a3553130ecd6e9c550e110c2d0c1a1a [0,1,0,1,0,0|2,0,0]=4 10126 B12R2.2056 c1cc(cs1)CNC2CCC2 aa3dc954e3d9054d42e0b8885b8e06df [0,1,0,1,0,0|2,0,0]=4 10127 B12R2.2056 c1cc(cs1)COC2CCC2 f3eb2a2fbde1ad2a6069d06f4157f4c3 [0,1,0,1,0,0|2,0,0]=4 10128 B12R2.2056 c1cc(cs1)NCC2CCC2 4e611542bed11cda9559ad2942b5c0dd [0,1,0,1,0,0|2,0,0]=4 10129 B12R2.2056 c1cc(cs1)OCC2CCC2 0d34f949d47fa89eb4745c9a10e3891b [0,1,0,1,0,0|2,0,0]=4 10130 B12R2.2056 c1cc(n[nH]1)NCC2CCC2 5c68eb0e83ed8ea0470c3aecee45eee1 [0,1,0,1,0,0|2,0,0]=4 10131 B12R2.2056 c1cc(no1)CNC2CCC2 d1b207adc26c287a2a6c1406b483ff89 [0,1,0,1,0,0|2,0,0]=4 10132 B12R2.2056 c1cc(no1)COC2CCC2 26eed336ab1ff2c6ee6ec1a38bd72df2 [0,1,0,1,0,0|2,0,0]=4 10133 B12R2.2056 c1cc(no1)NCC2CCC2 b6e8ed54cc3d69f3c82caaa5acbf616b [0,1,0,1,0,0|2,0,0]=4 10134 B12R2.2056 c1cc(ns1)CNC2CCC2 266caf19f0e1e8427459847deb6efaf6 [0,1,0,1,0,0|2,0,0]=4 10135 B12R2.2056 c1cc(ns1)COC2CCC2 06666f15149342a831a0cad2432ba071 [0,1,0,1,0,0|2,0,0]=4 10136 B12R2.2056 c1cc(on1)CNC2CCC2 b1a0fc04729b116a9baea2372b318358 [0,1,0,1,0,0|1,1,0]=4 10137 B12R2.2056 c1cc(on1)COC2CCC2 736f66ef2b5b8f27cfa5edfcff22e6cf [0,1,0,1,0,0|1,1,0]=4 10138 B12R2.2056 c1cc(on1)NCC2CCC2 c1b803b3df3c8ac3f7ae959ae6e097c0 [0,1,0,1,0,0|1,1,0]=4 10139 B12R2.2056 c1cc(sn1)CNC2CCC2 c2962a7e6e52ede0f81aac166fa0830e [0,1,0,1,0,0|1,0,0]=3 10140 B12R2.2056 c1cc(sn1)COC2CCC2 e267e49651bd734714b9fd1109df5716 [0,1,0,1,0,0|1,0,0]=3 10141 B12R2.2056 c1cc(sn1)NCC2CCC2 9dfa8c2dbecf950a10991a65262ef8e4 [0,1,0,1,0,0|1,0,0]=3 10142 B12R2.2056 c1cc(sn1)NCC2CCO2 1831ef51d7c25965108c8434e6b8cd30 [0,1,0,1,0,0|2,0,0]=4 10143 B12R2.2056 c1cc(sn1)NCC2COC2 6323c8a3a7faff07bf2539948e4e2bcf [0,1,0,1,0,0|2,0,0]=4 10144 B12R2.2056 c1cc(sn1)NC[C@@H]2CCO2 d51f5d9adfba4cd64a8e0ed02e161852 [0,1,0,1,0,0|2,0,0]=4 10145 B12R2.2056 c1cc(sn1)NC[C@H]2CCO2 c7abd6e29495047ce0e35f66f968614e [0,1,0,1,0,0|2,0,0]=4 10146 B12R2.2056 c1ccn(c1)CCN2CCC2 d1930f6faa70c3c9c45b240d909de74c [0,1,0,1,0,0|2,0,0]=4 10147 B12R2.2056 c1cnn(c1)CCN2CCC2 0932e3f4b4eeeac9d2abee5978778aed [0,1,0,1,0,0|2,0,0]=4 10148 B12R2.2056 c1cnn(c1)COC2CCC2 50682599cc28ff1239aba066fea7e259 [0,1,0,1,0,0|2,0,0]=4 10149 B12R2.2056 c1cnn(c1)OCC2CCC2 37a3b66858b1af54a48dfae5528abf7f [0,1,0,1,0,0|2,0,0]=4 10150 B12R2.2056 c1coc(c1)CNC2CCC2 7c1c7539d20e33a0a3b7e453fec7ad54 [0,1,0,1,0,0|0,1,0]=3 10151 B12R2.2056 c1coc(c1)COC2CCC2 7c5af456fcf95a0048391cd8f8bce79c [0,1,0,1,0,0|0,1,0]=3 10152 B12R2.2056 c1coc(c1)COC2COC2 cfce65fbe6dd90fb102f92a24f7e3e5c [0,1,0,1,0,0|1,1,0]=4 10153 B12R2.2056 c1coc(c1)COC2CSC2 2cdd96f672432ba291802bd83f2bc6a3 [0,1,0,1,0,0|1,1,0]=4 10154 B12R2.2056 c1coc(c1)NCC2CCO2 71fd13e22149d53135e9531bc63c140e [0,1,0,1,0,0|1,1,0]=4 10155 B12R2.2056 c1coc(c1)NC[C@@H]2CCO2 0b4d241410ba6b96f79360291986655c [0,1,0,1,0,0|1,1,0]=4 10156 B12R2.2056 c1coc(c1)NC[C@H]2CCO2 8fd68d31835683de700ce581787a85a3 [0,1,0,1,0,0|1,1,0]=4 10157 B12R2.2056 c1coc(c1)OCC2CCC2 d44e65a00edd0dc994123e5698cc000a [0,1,0,1,0,0|0,1,0]=3 10158 B12R2.2056 c1coc(c1)OCC2CCO2 711d35753cd9e1412a72a9d3a03457e9 [0,1,0,1,0,0|1,1,0]=4 10159 B12R2.2056 c1coc(c1)OCC2COC2 490b0fa5201a16476fb8ae895a637f2c [0,1,0,1,0,0|1,1,0]=4 10160 B12R2.2056 c1coc(c1)OC[C@@H]2CCO2 c2d7e3dcd1647a5072d8e08fe6ea1fcf [0,1,0,1,0,0|1,1,0]=4 10161 B12R2.2056 c1coc(c1)OC[C@H]2CCO2 a42e99319f30384af4a6f801858caf82 [0,1,0,1,0,0|1,1,0]=4 10162 B12R2.2056 c1coc(n1)CNC2CCC2 099729f9960e0ebbd6b452fab0307c17 [0,1,0,1,0,0|1,1,0]=4 10163 B12R2.2056 c1coc(n1)COC2CCC2 c12b0ab7d867e3991cb0f7fc4b1bc468 [0,1,0,1,0,0|1,1,0]=4 10164 B12R2.2056 c1coc(n1)NCC2CCC2 75efe0fdc05d5e6e59d79fd5cf4bdb39 [0,1,0,1,0,0|1,1,0]=4 10165 B12R2.2056 c1csc(c1)CCN2CCC2 9beeb3803bac43fc8da49b624db77646 [0,1,0,1,0,0|0,0,0]=2 10166 B12R2.2056 c1csc(c1)CNC2CCC2 bc379fd773186eeab384b0dabeb74bcf [0,1,0,1,0,0|0,0,0]=2 10167 B12R2.2056 c1csc(c1)CNC2COC2 a61aff1bb7bac95f692dd8b7545f6a17 [0,1,0,1,0,0|1,0,0]=3 10168 B12R2.2056 c1csc(c1)COC2CCC2 1aba08322106838d1f8192d61099c293 [0,1,0,1,0,0|0,0,0]=2 10169 B12R2.2056 c1csc(c1)COC2COC2 1bc6f130e5187d8fe6e44cbd64974160 [0,1,0,1,0,0|1,0,0]=3 10170 B12R2.2056 c1csc(c1)COC2CSC2 bc20831f92e2450a21f2a2ec3b92c4e6 [0,1,0,1,0,0|1,0,0]=3 10171 B12R2.2056 c1csc(c1)NCC2CCC2 edc0cd83953331d04450875b8973013d [0,1,0,1,0,0|0,0,0]=2 10172 B12R2.2056 c1csc(c1)NCC2CCO2 ca0fdb402e8768cb26957a11d5f6463f [0,1,0,1,0,0|1,0,0]=3 10173 B12R2.2056 c1csc(c1)NCC2COC2 03df5754dfef98de189d0f08766e962d [0,1,0,1,0,0|1,0,0]=3 10174 B12R2.2056 c1csc(c1)NC[C@@H]2CCO2 5eeefcd4712043be72640fc8183e2401 [0,1,0,1,0,0|1,0,0]=3 10175 B12R2.2056 c1csc(c1)NC[C@H]2CCO2 55492fd909b386a61a3b769d1f6926d4 [0,1,0,1,0,0|1,0,0]=3 10176 B12R2.2056 c1csc(c1)OCC2CCC2 885ba03f6f78db0a028b28dd1d97cfc4 [0,1,0,1,0,0|0,0,0]=2 10177 B12R2.2056 c1csc(c1)OCC2CCO2 88d4f313170695dfd5779d7a818ce387 [0,1,0,1,0,0|1,0,0]=3 10178 B12R2.2056 c1csc(c1)OCC2COC2 b606a54d0045f1136b4ed4fa9abf6e47 [0,1,0,1,0,0|1,0,0]=3 10179 B12R2.2056 c1csc(c1)OC[C@@H]2CCO2 3dc0e4b46c1956c317b1d77a9cecd717 [0,1,0,1,0,0|1,0,0]=3 10180 B12R2.2056 c1csc(c1)OC[C@H]2CCO2 37af72eeac4bb3cd5162915a96e80f57 [0,1,0,1,0,0|1,0,0]=3 10181 B12R2.2056 c1csc(n1)CNC2CCC2 f051a17d4e7584ae2a6cdde6cd87417b [0,1,0,1,0,0|1,0,0]=3 10182 B12R2.2056 c1csc(n1)CNC2COC2 523e67e594bdad300161052441b9d46d [0,1,0,1,0,0|2,0,0]=4 10183 B12R2.2056 c1csc(n1)COC2CCC2 6024eea51a99c86497e32a12192d7865 [0,1,0,1,0,0|1,0,0]=3 10184 B12R2.2056 c1csc(n1)COC2COC2 619e32e15a9911278b750dab48671bbc [0,1,0,1,0,0|2,0,0]=4 10185 B12R2.2056 c1csc(n1)COC2CSC2 101537d7026f8c746d82556b5e043c24 [0,1,0,1,0,0|2,0,0]=4 10186 B12R2.2056 c1csc(n1)NCC2CCC2 9070c42f7c21acb43ed5a7679d98e269 [0,1,0,1,0,0|1,0,0]=3 10187 B12R2.2056 c1csc(n1)NCC2CCO2 e2432f52341bff9fbec3be1e220dd105 [0,1,0,1,0,0|2,0,0]=4 10188 B12R2.2056 c1csc(n1)NCC2COC2 3eae43e730357e39ec70e0a2f49629d7 [0,1,0,1,0,0|2,0,0]=4 10189 B12R2.2056 c1csc(n1)NC[C@@H]2CCO2 5f207940b9eb89d5c81d2f144faba78d [0,1,0,1,0,0|2,0,0]=4 10190 B12R2.2056 c1csc(n1)NC[C@H]2CCO2 3aafcaa5da51a9fb2448b6f3cae24dde [0,1,0,1,0,0|2,0,0]=4 10191 B12R2.2056 c1csc(n1)OCC2CCC2 068f30c85aa7c89f809828da246aeb19 [0,1,0,1,0,0|1,0,0]=3 10192 B12R2.2056 c1csc(n1)OCC2CCO2 355618f974df32faed9e90ed5e8df9cd [0,1,0,1,0,0|2,0,0]=4 10193 B12R2.2056 c1csc(n1)OCC2COC2 d84bec603476ce204698e2749fd4627e [0,1,0,1,0,0|2,0,0]=4 10194 B12R2.2056 c1csc(n1)OC[C@@H]2CCO2 4d1ec531ce78d39a1e676e8d5655e895 [0,1,0,1,0,0|2,0,0]=4 10195 B12R2.2056 c1csc(n1)OC[C@H]2CCO2 32ea82d80d1865ef2cddf10d8948bb87 [0,1,0,1,0,0|2,0,0]=4 10196 B12R2.2056 c1nc(c[nH]1)CCN2CCC2 a75315740e25936b378510c0605091d1 [0,1,0,1,0,0|2,0,0]=4 10197 B12R2.2056 c1nc(c[nH]1)OCC2CCC2 8f3873a8dbe228238ce77f4194b8e83b [0,1,0,1,0,0|2,0,0]=4 10198 B12R2.2056 c1nc(co1)CNC2CCC2 d4ab9408ec06c793796faf2d719818d4 [0,1,0,1,0,0|2,0,0]=4 10199 B12R2.2056 c1nc(co1)COC2CCC2 4c9e585b47a322d15f73573df7d83e89 [0,1,0,1,0,0|2,0,0]=4 10200 B12R2.2056 c1nc(co1)NCC2CCC2 a3103d412ecc0288f09bfe78e5fdfeae [0,1,0,1,0,0|2,0,0]=4 10201 B12R2.2056 c1nc(cs1)CCN2CCC2 872d8d88ac9931aa269d6047d79fb38c [0,1,0,1,0,0|2,0,0]=4 10202 B12R2.2056 c1nc(cs1)CNC2CCC2 858fddde61b843ff180879f821e9496d [0,1,0,1,0,0|2,0,0]=4 10203 B12R2.2056 c1nc(cs1)COC2CCC2 86479a3cb6cab20a2820f524f30aa3e6 [0,1,0,1,0,0|2,0,0]=4 10204 B12R2.2056 c1nc(cs1)NCC2CCC2 ea8a7eba00fde4ca978320caa1f17a02 [0,1,0,1,0,0|2,0,0]=4 10205 B12R2.2056 c1ncc([nH]1)CNC2CCC2 0df341537c359279952ea370fb01d6c8 [0,1,0,1,0,0|2,0,0]=4 10206 B12R2.2056 c1ncc([nH]1)COC2CCC2 575cc0fc03deed4da530f30a6381c752 [0,1,0,1,0,0|2,0,0]=4 10207 B12R2.2056 c1ncc(o1)CNC2CCC2 10d69dc4a016d2f041c90713d8e80094 [0,1,0,1,0,0|1,1,0]=4 10208 B12R2.2056 c1ncc(o1)COC2CCC2 04c27e0899887fa0cfd92706e65c5768 [0,1,0,1,0,0|1,1,0]=4 10209 B12R2.2056 c1ncc(s1)NCC2CCC2 fb282a106f6e33601b28373dd4b33fef [0,1,0,1,0,0|1,0,0]=3 10210 B12R2.2056 c1ncc(s1)NCC2CCO2 cdbe51af05229c1627f1d9ef7192c276 [0,1,0,1,0,0|2,0,0]=4 10211 B12R2.2056 c1ncc(s1)NCC2COC2 53a71c810791af0dab5054f61d7715ca [0,1,0,1,0,0|2,0,0]=4 10212 B12R2.2056 c1ncc(s1)NC[C@@H]2CCO2 053d74fbd7e5c6371179f8c2814bb07d [0,1,0,1,0,0|2,0,0]=4 10213 B12R2.2056 c1ncc(s1)NC[C@H]2CCO2 993f585b973245c2160ac10a42867621 [0,1,0,1,0,0|2,0,0]=4 10214 B12R2.2056 c1nnc(s1)NCC2CCC2 fa5ec4499b3611b17ac2703a1abb9437 [0,1,0,1,0,0|2,0,0]=4 10215 B12R2.2056 c1nnc(s1)OCC2CCC2 b4ed96cc815298a499ee9a6fab6f4fa5 [0,1,0,1,0,0|2,0,0]=4 10216 B12R2.2056 c1nnsc1NCC2CCC2 f622c7e4101378c86852fc3c6c554d4e [0,1,0,1,0,0|2,0,0]=4 10217 B12R2.2056 c1nsc(n1)COC2CCC2 8a79fb47f12af253a648e315bcf2160a [0,1,0,1,0,0|2,0,0]=4 10218 B12R2.2056 c1nsc(n1)NCC2CCC2 d057cf57bfddf65828966cb122160676 [0,1,0,1,0,0|2,0,0]=4 10219 B12R2.2383 c1c[nH]c(c1)CCNC2CC2 085461c9ee3f9f211ef046c4a1f56653 [0,1,0,1,0,0|1,0,0]=3 10220 B12R2.2383 c1c[nH]c(c1)CCOC2CC2 f1e2b7c0c7d48d3ec6ce14dc1d4ac038 [0,1,0,1,0,0|1,0,0]=3 10221 B12R2.2383 c1c[nH]c(c1)CNCC2CC2 9f76742cccfeab7c4dbed0a7c48f7216 [0,1,0,1,0,0|1,0,0]=3 10222 B12R2.2383 c1c[nH]c(c1)COCC2CC2 0de49672ab3769410027d88251d48dc4 [0,1,0,1,0,0|1,0,0]=3 10223 B12R2.2383 c1c[nH]c(n1)CCNC2CC2 fee2bf594854de87e6af18cea8aabf8a [0,1,0,1,0,0|2,0,0]=4 10224 B12R2.2383 c1c[nH]c(n1)CCOC2CC2 a0f16462983c147474de6196634984b8 [0,1,0,1,0,0|2,0,0]=4 10225 B12R2.2383 c1c[nH]c(n1)CNCC2CC2 b03a542b14c8611a69888947a5ab5605 [0,1,0,1,0,0|2,0,0]=4 10226 B12R2.2383 c1c[nH]c(n1)COCC2CC2 9770e24837431c3716303be0326f5b47 [0,1,0,1,0,0|2,0,0]=4 10227 B12R2.2383 c1c[nH]c(n1)NCCC2CC2 1fb86cadecf0e7d13ce40ad387af7e24 [0,1,0,1,0,0|2,0,0]=4 10228 B12R2.2383 c1cc([nH]n1)CNCC2CC2 9f5ff873a09cb7a742b15cec8432f4a1 [0,1,0,1,0,0|2,0,0]=4 10229 B12R2.2383 c1cc([nH]n1)COCC2CC2 91fd26995183078fe7a947cdc2c193dc [0,1,0,1,0,0|2,0,0]=4 10230 B12R2.2383 c1cc([nH]n1)OCCC2CC2 6f2a04361f13d559533350ad5bc6b37b [0,1,0,1,0,0|2,0,0]=4 10231 B12R2.2383 c1cc(c[nH]1)CNCC2CC2 394753534a7405c6d8e718ec8aecc213 [0,1,0,1,0,0|2,0,0]=4 10232 B12R2.2383 c1cc(c[nH]1)COCC2CC2 906112285832ca80aef878f7971339f5 [0,1,0,1,0,0|2,0,0]=4 10233 B12R2.2383 c1cc(co1)CCOC2CC2 1a238276b81a93848cb87408b2cd62ba [0,1,0,1,0,0|2,0,0]=4 10234 B12R2.2383 c1cc(co1)CNCC2CC2 d7beccffdf6c2f1fd2db640ef5c5d630 [0,1,0,1,0,0|2,0,0]=4 10235 B12R2.2383 c1cc(co1)COCC2CC2 8fa817d6b08d1dfdfa0c8f962081186b [0,1,0,1,0,0|2,0,0]=4 10236 B12R2.2383 c1cc(co1)NCCC2CC2 325aab71e69894a405c188e6956a42ce [0,1,0,1,0,0|2,0,0]=4 10237 B12R2.2383 c1cc(cs1)CCNC2CC2 b2ea2d3182b40d376f225472505e52db [0,1,0,1,0,0|2,0,0]=4 10238 B12R2.2383 c1cc(cs1)CCOC2CC2 fd00c3a2f344e971417c8d21e78dfdb9 [0,1,0,1,0,0|2,0,0]=4 10239 B12R2.2383 c1cc(cs1)CNCC2CC2 65d46f6dcb8554d61805346bcdca4d87 [0,1,0,1,0,0|2,0,0]=4 10240 B12R2.2383 c1cc(cs1)COCC2CC2 a9c47bcaccb3a444b67a2e73e677b400 [0,1,0,1,0,0|2,0,0]=4 10241 B12R2.2383 c1cc(cs1)NCCC2CC2 76b8c3410559b54d2baffee7a025ca32 [0,1,0,1,0,0|2,0,0]=4 10242 B12R2.2383 c1cc(cs1)OCCC2CC2 88891fd1e09d723b27e6d741eba2a169 [0,1,0,1,0,0|2,0,0]=4 10243 B12R2.2383 c1cc(n[nH]1)CCNC2CC2 574e53eadf9ffdba366b97080ae6c1de [0,1,0,1,0,0|2,0,0]=4 10244 B12R2.2383 c1cc(n[nH]1)CCOC2CC2 b39f2c46f185a990a1961a4f71650fd6 [0,1,0,1,0,0|2,0,0]=4 10245 B12R2.2383 c1cc(n[nH]1)NCCC2CC2 0ed058c4dedc4688186502373ee913ef [0,1,0,1,0,0|2,0,0]=4 10246 B12R2.2383 c1cc(no1)CCOC2CC2 b8be02fd093eb88413d62db538260a84 [0,1,0,1,0,0|2,0,0]=4 10247 B12R2.2383 c1cc(no1)CNCC2CC2 8e9497c93ab60efb2a18c3b4b6c95622 [0,1,0,1,0,0|2,0,0]=4 10248 B12R2.2383 c1cc(no1)COCC2CC2 c4b362992a231c57d08d45c0ed9286b6 [0,1,0,1,0,0|2,0,0]=4 10249 B12R2.2383 c1cc(no1)NCCC2CC2 42b8715619f96795423187d448dc0e7b [0,1,0,1,0,0|2,0,0]=4 10250 B12R2.2383 c1cc(ns1)CNCC2CC2 8bd0495a38222ea634133f9d49fa6085 [0,1,0,1,0,0|2,0,0]=4 10251 B12R2.2383 c1cc(ns1)COCC2CC2 108982e03f443478a2ed3d19ca15a728 [0,1,0,1,0,0|2,0,0]=4 10252 B12R2.2383 c1cc(on1)CNCC2CC2 8c6f43793fa0449999aa40d26336169e [0,1,0,1,0,0|1,1,0]=4 10253 B12R2.2383 c1cc(on1)COCC2CC2 eb216f6a4fd4c027d0a92422c0aa1283 [0,1,0,1,0,0|1,1,0]=4 10254 B12R2.2383 c1cc(on1)NCCC2CC2 094b21c01c48e960b106b80e773c784b [0,1,0,1,0,0|1,1,0]=4 10255 B12R2.2383 c1cc(sn1)CNCC2CC2 dca7fd7422d57662bbbf001c924f2942 [0,1,0,1,0,0|1,0,0]=3 10256 B12R2.2383 c1cc(sn1)COCC2CC2 1ab34dd85d1037b56c164dd6fc9b0637 [0,1,0,1,0,0|1,0,0]=3 10257 B12R2.2383 c1cc(sn1)NCCC2CC2 aa33ee6581966593f50e333fe9e36dae [0,1,0,1,0,0|1,0,0]=3 10258 B12R2.2383 c1cc(sn1)NCCN2CC2 407b9cf38465d426f37f8ea787c3e4b3 [0,1,0,1,0,0|2,0,0]=4 10259 B12R2.2383 c1ccn(c1)CCNC2CC2 72c0cb23d504161c3ee820d2553f0048 [0,1,0,1,0,0|2,0,0]=4 10260 B12R2.2383 c1ccn(c1)CCOC2CC2 8e3614c9d4f25842473b0b3fca235c4c [0,1,0,1,0,0|2,0,0]=4 10261 B12R2.2383 c1cnn(c1)CCNC2CC2 0aaed78f7c0826c5e6652fb2736dd212 [0,1,0,1,0,0|2,0,0]=4 10262 B12R2.2383 c1cnn(c1)CCOC2CC2 6346647fb4a69df78fbb49841dea9fc3 [0,1,0,1,0,0|2,0,0]=4 10263 B12R2.2383 c1cnn(c1)COCC2CC2 970e2832cd895fff42d85de091887156 [0,1,0,1,0,0|2,0,0]=4 10264 B12R2.2383 c1cnn(c1)OCCC2CC2 0f435458ccc60eff99e67ffb67309879 [0,1,0,1,0,0|2,0,0]=4 10265 B12R2.2383 c1coc(c1)CCOC2CC2 2cd664c9bb31ceb8871d64e6d04c4aab [0,1,0,1,0,0|0,1,0]=3 10266 B12R2.2383 c1coc(c1)CNCC2CC2 23f8cd3649ab9405d111ba79dc780d91 [0,1,0,1,0,0|0,1,0]=3 10267 B12R2.2383 c1coc(c1)COCC2CC2 56f7d114961a8670316897e8e916c7de [0,1,0,1,0,0|0,1,0]=3 10268 B12R2.2383 c1coc(c1)NCCN2CC2 da7a92213765218ab4a79f3bbb77e170 [0,1,0,1,0,0|1,1,0]=4 10269 B12R2.2383 c1coc(c1)OCCC2CC2 f3e91f98c8d6f6a9f8f8d4fd4dc547f0 [0,1,0,1,0,0|0,1,0]=3 10270 B12R2.2383 c1coc(n1)CNCC2CC2 fc24cc615619377bec081352555ef889 [0,1,0,1,0,0|1,1,0]=4 10271 B12R2.2383 c1coc(n1)COCC2CC2 a0d47df85f3e8bd2a09d021c2502bdf5 [0,1,0,1,0,0|1,1,0]=4 10272 B12R2.2383 c1coc(n1)NCCC2CC2 feeb8cde782140d41c63991f7a98c8d4 [0,1,0,1,0,0|1,1,0]=4 10273 B12R2.2383 c1csc(c1)CCNC2CC2 74d0676407356f6c5d126cfb0566dc3c [0,1,0,1,0,0|0,0,0]=2 10274 B12R2.2383 c1csc(c1)CCOC2CC2 2f117fa75e82ed1bca217380d3b1d19a [0,1,0,1,0,0|0,0,0]=2 10275 B12R2.2383 c1csc(c1)CNCC2CC2 a78286e3774727634260d8451b106a27 [0,1,0,1,0,0|0,0,0]=2 10276 B12R2.2383 c1csc(c1)COCC2CC2 d3bbb60013b9330922d63c5629919a22 [0,1,0,1,0,0|0,0,0]=2 10277 B12R2.2383 c1csc(c1)NCCC2CC2 605779211afc2c86c45111dca04e8286 [0,1,0,1,0,0|0,0,0]=2 10278 B12R2.2383 c1csc(c1)NCCN2CC2 47317eebd75d5c223d65270fa315c15a [0,1,0,1,0,0|1,0,0]=3 10279 B12R2.2383 c1csc(c1)OCCC2CC2 70be8cd47151f834b3b490d941204790 [0,1,0,1,0,0|0,0,0]=2 10280 B12R2.2383 c1csc(n1)CCNC2CC2 43b1e34958da61e71531ad7eccbcf02f [0,1,0,1,0,0|1,0,0]=3 10281 B12R2.2383 c1csc(n1)CCOC2CC2 edbff9d6df36dd3987ae9d2736d59990 [0,1,0,1,0,0|1,0,0]=3 10282 B12R2.2383 c1csc(n1)CNCC2CC2 0ba296e5f9e90177122e6eabc4ce3fb2 [0,1,0,1,0,0|1,0,0]=3 10283 B12R2.2383 c1csc(n1)COCC2CC2 63e7333d2987bec00dee871da5bab83e [0,1,0,1,0,0|1,0,0]=3 10284 B12R2.2383 c1csc(n1)NCCC2CC2 94fcd167da7be7af0323af510807831b [0,1,0,1,0,0|1,0,0]=3 10285 B12R2.2383 c1csc(n1)NCCN2CC2 040452f7ca848e8005c2d3b830505b26 [0,1,0,1,0,0|2,0,0]=4 10286 B12R2.2383 c1csc(n1)OCCC2CC2 12a1a17d2c5dd3a05a68a83441e9bc14 [0,1,0,1,0,0|1,0,0]=3 10287 B12R2.2383 c1nc(c[nH]1)CCNC2CC2 5fed8ecb09116d453bd87fbe68f45693 [0,1,0,1,0,0|2,0,0]=4 10288 B12R2.2383 c1nc(c[nH]1)CCOC2CC2 9b4812b2e8bc1118881d267da84226c8 [0,1,0,1,0,0|2,0,0]=4 10289 B12R2.2383 c1nc(c[nH]1)OCCC2CC2 839c53f5225914a8256e70dc140f8472 [0,1,0,1,0,0|2,0,0]=4 10290 B12R2.2383 c1nc(co1)CNCC2CC2 b851b00bb8d3fd833d9c2a83ef9d5f55 [0,1,0,1,0,0|2,0,0]=4 10291 B12R2.2383 c1nc(co1)COCC2CC2 5bbfe9365980a0ef8361f2d2ab9e6254 [0,1,0,1,0,0|2,0,0]=4 10292 B12R2.2383 c1nc(co1)NCCC2CC2 ef19109815a9b03bd94d2c0865d104fe [0,1,0,1,0,0|2,0,0]=4 10293 B12R2.2383 c1nc(cs1)CCNC2CC2 d9a408169218e1719313399f08be8dde [0,1,0,1,0,0|2,0,0]=4 10294 B12R2.2383 c1nc(cs1)CCOC2CC2 d3b45ea1295458fb6de21282a4e547d8 [0,1,0,1,0,0|2,0,0]=4 10295 B12R2.2383 c1nc(cs1)CNCC2CC2 3b9e723d83964629dc4fa6e2c973ab46 [0,1,0,1,0,0|2,0,0]=4 10296 B12R2.2383 c1nc(cs1)COCC2CC2 6a3909c9a515b194ae98690d320ad0ec [0,1,0,1,0,0|2,0,0]=4 10297 B12R2.2383 c1nc(cs1)NCCC2CC2 bb5ad38f89838c9c969cb29c248decf9 [0,1,0,1,0,0|2,0,0]=4 10298 B12R2.2383 c1ncc([nH]1)CNCC2CC2 c8682cf56a716c7dcde946ee2c98444d [0,1,0,1,0,0|2,0,0]=4 10299 B12R2.2383 c1ncc([nH]1)COCC2CC2 a12ce626adb7625dc6d3d166d1fc9c5b [0,1,0,1,0,0|2,0,0]=4 10300 B12R2.2383 c1ncc(o1)CNCC2CC2 e3d7f8f1602e8c1b7d43b2b8ef62a2e7 [0,1,0,1,0,0|1,1,0]=4 10301 B12R2.2383 c1ncc(o1)COCC2CC2 f6278b90541579920a8f9f6c52be2a44 [0,1,0,1,0,0|1,1,0]=4 10302 B12R2.2383 c1ncc(s1)CNCC2CC2 bf44e5f1456b9313203f9decd087f17f [0,1,0,1,0,0|1,0,0]=3 10303 B12R2.2383 c1ncc(s1)COCC2CC2 baede2bedefad8e2a6ae5025a617b19d [0,1,0,1,0,0|1,0,0]=3 10304 B12R2.2383 c1ncc(s1)NCCC2CC2 a3a24eb0acb20f6d3410bee55da35954 [0,1,0,1,0,0|1,0,0]=3 10305 B12R2.2383 c1ncc(s1)NCCN2CC2 b5b198dabcf9e28ccfc8b298a269b7e0 [0,1,0,1,0,0|2,0,0]=4 10306 B12R2.2383 c1nnc(s1)NCCC2CC2 2fe8ec71d432798398c45363ca51def2 [0,1,0,1,0,0|2,0,0]=4 10307 B12R2.2383 c1nnc(s1)OCCC2CC2 3a08497ac8ff2098547b1c132fc52bae [0,1,0,1,0,0|2,0,0]=4 10308 B12R2.2383 c1nnsc1NCCC2CC2 9ac543a18dd698c8a23505b762402bf5 [0,1,0,1,0,0|2,0,0]=4 10309 B12R2.2383 c1nsc(n1)COCC2CC2 b83a0fa674057d69da99e1b38398ac3e [0,1,0,1,0,0|2,0,0]=4 10310 B12R2.2383 c1nsc(n1)NCCC2CC2 1cce5f4253ae4353ac2d765938b62656 [0,1,0,1,0,0|2,0,0]=4 10311 B12R2.44 CCN1CCc2[nH]ccc2C1 6db158fa4b3cdb6468fcccd1c431ed08 [0,1,0,1,0,0|2,0,0]=4 10312 B12R2.44 CCN1CCc2occc2C1 9c9ad071d2cedb7f6173eda556d7257b [0,1,0,1,0,0|1,1,0]=4 10313 B12R2.44 CCN1CCc2sccc2C1 b6b7f2c01ecac80acee6fc88ff5a6eb5 [0,1,0,1,0,0|1,0,0]=3 10314 B12R2.44 CCN1CCc2scnc2C1 ac67a8e222ca1a889f3d7ce442e5403a [0,1,0,1,0,0|2,0,0]=4 10315 B12R2.44 FCN1CCc2sccc2C1 440e862d2338a91c3baf663036412ed5 [0,1,0,1,0,0|2,0,0]=4 10316 B12R2.44 OCN1CCc2sccc2C1 f26f585274f62a04cbe164b4ed572694 [0,1,0,1,0,0|2,0,0]=4 10317 B12R2.2399 CC1(CC1)CNc2cccs2 3ba0fc433baa32a1b3c35cfa54f582d6 [0,1,0,1,0,0|1,0,0]=3 10318 B12R2.2399 CC1(CC1)CNc2ccns2 c491f60f3d89ca57c260ea9870247bfd [0,1,0,1,0,0|2,0,0]=4 10319 B12R2.2399 CC1(CC1)CNc2cncs2 262e85aff8a4e083aa8c9b67be8e6b64 [0,1,0,1,0,0|2,0,0]=4 10320 B12R2.2399 CC1(CC1)CNc2nccs2 97d11db6cf77cbc054aa8896e27d1351 [0,1,0,1,0,0|2,0,0]=4 10321 B12R2.2399 CC1(CC1)COc2ccco2 32096ce473c39ebf4546fe5eaccc5814 [0,1,0,1,0,0|1,1,0]=4 10322 B12R2.2399 CC1(CC1)COc2cccs2 43e7bcdf96552a0e62f936672daa054d [0,1,0,1,0,0|1,0,0]=3 10323 B12R2.2399 CC1(CC1)COc2nccs2 bd5578429921c81649c890ab41451931 [0,1,0,1,0,0|2,0,0]=4 10324 B12R2.2399 CC1(CC1)NCc2ccco2 5e69360420b414cd30e162e623be4329 [0,1,0,1,0,0|1,1,0]=4 10325 B12R2.2399 CC1(CC1)NCc2cccs2 f7d68df2bea6a32acf5fff2ec8c899ba [0,1,0,1,0,0|1,0,0]=3 10326 B12R2.2399 CC1(CC1)NCc2nccs2 41b8b368b73ff7a54566cd5fafe9de9b [0,1,0,1,0,0|2,0,0]=4 10327 B12R2.2399 FC1(CC1)CNc2ccco2 fd6173434b4bbe1adc27141761262fc2 [0,1,0,1,0,0|1,1,0]=4 10328 B12R2.2399 FC1(CC1)CNc2cccs2 7228a421d9b1a4369b568bd76aa58b7f [0,1,0,1,0,0|1,0,0]=3 10329 B12R2.2399 FC1(CC1)CNc2ccns2 ec5b6a5d147998972e2432af21aa9d03 [0,1,0,1,0,0|2,0,0]=4 10330 B12R2.2399 FC1(CC1)CNc2cncs2 e2208b24a45a88555f33109134a5b483 [0,1,0,1,0,0|2,0,0]=4 10331 B12R2.2399 FC1(CC1)CNc2nccs2 8b8e4f991bf0a0b7b47c7880133904a2 [0,1,0,1,0,0|2,0,0]=4 10332 B12R2.2399 FC1(CC1)COc2ccco2 8d36c1c38add46eaf00f458a5a9a9bbb [0,1,0,1,0,0|1,1,0]=4 10333 B12R2.2399 FC1(CC1)COc2nccs2 4e180a2daf6364b8f53cd08c817326a2 [0,1,0,1,0,0|2,0,0]=4 10334 B12R2.2399 OC1(CC1)CNc2ccns2 def30c1869988c0eda117cd1d25b576b [0,1,0,1,0,0|2,0,0]=4 10335 B12R2.78 Cc1cc(sn1)NC2CC2C 6840850597410ceaf55f41ee984b5af0 [0,1,0,1,0,0|2,0,0]=4 10336 B12R2.78 Cc1ccc(o1)NC2CC2C 4486dc6e3e4eef4188ec881262cbf13a [0,1,0,1,0,0|1,1,0]=4 10337 B12R2.78 Cc1ncc(s1)NC2CC2C 8d0a0786f2e9cd5d53e21d5452d64f41 [0,1,0,1,0,0|2,0,0]=4 10338 B12R2.2298 Brc1c[nH]c(c1)CNC2CC2 48a0bc998021a48eb35734cb6f66a988 [0,1,0,1,0,0|2,0,0]=4 10339 B12R2.2298 Brc1ccc(o1)CNC2CC2 163a0649f63fd69f9512a0d2c283946c [0,1,0,1,0,0|1,1,0]=4 10340 B12R2.2298 Brc1ccc(o1)COC2CC2 aff445df9628054f388518ed08e4198a [0,1,0,1,0,0|1,1,0]=4 10341 B12R2.2298 Brc1ccc(s1)CNC2CC2 736745ccf6b50203c37cc09373fb6ffb [0,1,0,1,0,0|1,0,0]=3 10342 B12R2.2298 Brc1ccc(s1)COC2CC2 67349f09387064f330af0ce650970541 [0,1,0,1,0,0|1,0,0]=3 10343 B12R2.2298 Brc1ccc(s1)NCC2CC2 1de39e632a2f9102353466cba0624db3 [0,1,0,1,0,0|1,0,0]=3 10344 B12R2.2298 Brc1ccc(s1)OCC2CC2 d8b2fc603cd70aba18d920e531bc227a [0,1,0,1,0,0|1,0,0]=3 10345 B12R2.2298 Brc1cnc(s1)CNC2CC2 596abe1ea81a1723f0f4b8c9569aecd7 [0,1,0,1,0,0|2,0,0]=4 10346 B12R2.2298 Brc1cnc(s1)COC2CC2 35a9228e0cf8900896a6d7eda93ba3ec [0,1,0,1,0,0|2,0,0]=4 10347 B12R2.2298 Brc1cnc(s1)NCC2CC2 9d6cb077830eaf422304db3b92b644e6 [0,1,0,1,0,0|2,0,0]=4 10348 B12R2.2298 Brc1coc(c1)COC2CC2 9943713a9ed39a0272280ff4202e706c [0,1,0,1,0,0|1,1,0]=4 10349 B12R2.2298 Brc1csc(c1)CNC2CC2 531f5fa95e01ad3558dd71beab1acd0e [0,1,0,1,0,0|1,0,0]=3 10350 B12R2.2298 Brc1csc(c1)COC2CC2 cfbdc3c79b260d8268cc3b59daf333a6 [0,1,0,1,0,0|1,0,0]=3 10351 B12R2.2298 Brc1csc(n1)CNC2CC2 c1524c77b353bdcc647fb4a0817aab91 [0,1,0,1,0,0|2,0,0]=4 10352 B12R2.2298 Brc1csc(n1)COC2CC2 e81c5a9b5070a9904d54bc244ad4ff8e [0,1,0,1,0,0|2,0,0]=4 10353 B12R2.2298 Brc1csc(n1)NCC2CC2 a22e849449842b5f335316e91355513e [0,1,0,1,0,0|2,0,0]=4 10354 B12R2.2298 Brc1csc(n1)OCC2CC2 d1393a229a9d241ebe3d97ce7099be7d [0,1,0,1,0,0|2,0,0]=4 10355 B12R2.2298 Brc1ncc(s1)CNC2CC2 4745f8526932662ac44efa5d1c5a1cf2 [0,1,0,1,0,0|2,0,0]=4 10356 B12R2.2298 Brc1ncc(s1)COC2CC2 bd80f70209c59cee3464771b19f5c882 [0,1,0,1,0,0|2,0,0]=4 10357 B12R2.2298 Brc1ncc(s1)NCC2CC2 e404d8105c7233b99020cfa15ff64d93 [0,1,0,1,0,0|2,0,0]=4 10358 B12R2.2298 Cc1cc(sn1)NCC2CC2 d649cced53d54696fcd8e71dcff2b92c [0,1,0,1,0,0|2,0,0]=4 10359 B12R2.2298 Cc1ccc(o1)CNC2CC2 4c760405a18a136b21ed419882b786b9 [0,1,0,1,0,0|1,1,0]=4 10360 B12R2.2298 Cc1ccc(o1)COC2CC2 9f49e8f82fa09513cdc1b111fc1e483e [0,1,0,1,0,0|1,1,0]=4 10361 B12R2.2298 Cc1ccc(o1)NCC2CC2 990ebb34b7b479aeb15084d307b41467 [0,1,0,1,0,0|1,1,0]=4 10362 B12R2.2298 Cc1ccc(s1)COC2CC2 1e5ee2182eb2d3feba7f3498a2a324da [0,1,0,1,0,0|1,0,0]=3 10363 B12R2.2298 Cc1ccc(s1)NCC2CC2 25a2b47397f38d30b4eb5de4bfdc47e1 [0,1,0,1,0,0|1,0,0]=3 10364 B12R2.2298 Cc1cnc(s1)CNC2CC2 5f97316f138d376421c4f36f81f9ab36 [0,1,0,1,0,0|2,0,0]=4 10365 B12R2.2298 Cc1cnc(s1)COC2CC2 f0b881f6a3e811834c8f0f8d516a16e5 [0,1,0,1,0,0|2,0,0]=4 10366 B12R2.2298 Cc1cnc(s1)NCC2CC2 01741868296ec1d2f1de81d3447713e6 [0,1,0,1,0,0|2,0,0]=4 10367 B12R2.2298 Cc1csc(c1)COC2CC2 657b845ded48e74dfa446a7cc99e379b [0,1,0,1,0,0|1,0,0]=3 10368 B12R2.2298 Cc1csc(c1)OCC2CC2 8586686fcdfe4e924c3413ca568eec9a [0,1,0,1,0,0|1,0,0]=3 10369 B12R2.2298 Cc1csc(n1)CNC2CC2 e039f79102b3d6a78851de772c050ffd [0,1,0,1,0,0|2,0,0]=4 10370 B12R2.2298 Cc1csc(n1)COC2CC2 21e659b0a9064ac102f87f7e5ff0e2af [0,1,0,1,0,0|2,0,0]=4 10371 B12R2.2298 Cc1csc(n1)NCC2CC2 559db216f53f1cdd136e1adf48452e10 [0,1,0,1,0,0|2,0,0]=4 10372 B12R2.2298 Cc1ncc(s1)CNC2CC2 905cf1a2abc05b5e14b3679df4bd8ad3 [0,1,0,1,0,0|2,0,0]=4 10373 B12R2.2298 Cc1ncc(s1)COC2CC2 1d841c4c737bfb91f38e8037f5fa8e7e [0,1,0,1,0,0|2,0,0]=4 10374 B12R2.2298 Cc1ncc(s1)NCC2CC2 fddca868aa990d6a2f2ac62c61c8dc4f [0,1,0,1,0,0|2,0,0]=4 10375 B12R2.2298 Clc1ccc(s1)CNC2CC2 75d0ae3820266c07d9e6c9077be53a4e [0,1,0,1,0,0|1,0,0]=3 10376 B12R2.2298 Clc1ccc(s1)COC2CC2 9f36cfc828457d529486df9c2f347f91 [0,1,0,1,0,0|1,0,0]=3 10377 B12R2.2298 Clc1cnc(s1)CNC2CC2 1e56c3c3dc6a732411fff6965be9a320 [0,1,0,1,0,0|2,0,0]=4 10378 B12R2.2298 Clc1cnc(s1)COC2CC2 9dd5f213111c763bb548ecd016800290 [0,1,0,1,0,0|2,0,0]=4 10379 B12R2.2298 Clc1cnc(s1)NCC2CC2 0053c0146bd3cd744dc8efc1878cb729 [0,1,0,1,0,0|2,0,0]=4 10380 B12R2.2298 Clc1csc(c1)COC2CC2 c21c5cca051a98a5b64bc678b16424e8 [0,1,0,1,0,0|1,0,0]=3 10381 B12R2.2298 Clc1csc(n1)NCC2CC2 d6ec9a28d9288af39218363b47d27c16 [0,1,0,1,0,0|2,0,0]=4 10382 B12R2.2298 Clc1ncc(s1)CNC2CC2 056883fd01f022387e7262cbdfe53918 [0,1,0,1,0,0|2,0,0]=4 10383 B12R2.2298 Clc1ncc(s1)COC2CC2 bd1137fa2e97e2e6e034c86d4da67beb [0,1,0,1,0,0|2,0,0]=4 10384 B12R2.2298 Fc1ccc(s1)COC2CC2 061ee1a6728087873ba543f1d8252cb1 [0,1,0,1,0,0|1,0,0]=3 10385 B12R2.2298 Fc1cnc(s1)NCC2CC2 55c65f18721b9fbd5aac9f37f55500df [0,1,0,1,0,0|2,0,0]=4 10386 B12R2.2298 Nc1ncc(s1)NCC2CC2 f8a6723dea49902c8ba85d75b000ea63 [0,1,0,1,0,0|2,0,0]=4 10387 B12R2.2298 Sc1ncc(s1)NCC2CC2 1ed12f7d7f666139c270b48f43f8b108 [0,1,0,1,0,0|2,0,0]=4 10388 B12R2.2301 Brc1ccc(s1)CN2CCC2 b8aa31e3da46ef44944e6ba2146c0a20 [0,1,0,1,0,0|1,0,0]=3 10389 B12R2.2301 Brc1cnc(s1)CN2CCC2 9c70d46c82685310200bdc9ea31ef999 [0,1,0,1,0,0|2,0,0]=4 10390 B12R2.2301 Brc1csc(c1)CN2CCC2 bbb9008e615058aa5957a03bb95e8f38 [0,1,0,1,0,0|1,0,0]=3 10391 B12R2.2301 Brc1csc(n1)CN2CCC2 3bea3dca6e20467ea78dddb35544ef55 [0,1,0,1,0,0|2,0,0]=4 10392 B12R2.2301 Brc1ncc(s1)CN2CCC2 8ba52c4b239b73c8b7fa3efc175aa48b [0,1,0,1,0,0|2,0,0]=4 10393 B12R2.2301 Cc1cc(sn1)NC2CCC2 10d1f08ece387b0f37e3007984438aad [0,1,0,1,0,0|2,0,0]=4 10394 B12R2.2301 Cc1ccc(o1)NC2CCC2 75496b24e4af780cb742a56182b87b4b [0,1,0,1,0,0|1,1,0]=4 10395 B12R2.2301 Cc1csc(n1)CN2CCC2 db962b435886b9972cf3cd89368e968a [0,1,0,1,0,0|2,0,0]=4 10396 B12R2.2301 Cc1ncc(s1)CN2CCC2 4e6c591d5baa0b422c98896d0b4cfe68 [0,1,0,1,0,0|2,0,0]=4 10397 B12R2.2301 Clc1ccc(s1)CN2CCC2 c9410c1ab2ea512d3035f222c445ba3a [0,1,0,1,0,0|1,0,0]=3 10398 B12R2.2301 Clc1cnc(s1)CN2CCC2 692d96b5d7899ba612878a1dbb8394d5 [0,1,0,1,0,0|2,0,0]=4 10399 B12R2.2301 Clc1ncc(s1)CN2CCC2 39072b8ce4b261285c6750835f5ebebe [0,1,0,1,0,0|2,0,0]=4 10400 B12R2.2301 Fc1ccc(s1)NC2COC2 ebcf083e9551ddc75ae56cc82749e992 [0,1,0,1,0,0|2,0,0]=4 10401 B12R2.2074 CC(NC1CC1)c2nccs2 1a56f2a4fbdea03322dc44cd4b632c98 [0,1,0,1,0,0|2,0,0]=4 10402 B12R2.2074 CN(CC1CC1)c2nccs2 3fa150ba86dc6cb51428f24622dd86a0 [0,1,0,1,0,0|2,0,0]=4 10403 B12R2.2074 C[C@H](NC1CC1)c2nccs2 01f7b73465a1d9558a6f570b3f96890e [0,1,0,1,0,0|2,0,0]=4 10404 B12R2.2074 O=C(NC1CC1)c2cccs2 851b60f368e8aa42eee5732ae0ba81e4 [0,1,0,1,0,0|1,0,1]=4 10405 B12R2.3797 O=C(c1cccs1)N2CCC2 13568d4355b6418b3bf53401259db150 [0,1,0,1,0,0|1,0,1]=4 10406 B12R2.136 FC1CC(C1)Nc2ccns2 a69c373bb7eb518159ab728424ace141 [0,1,0,1,0,0|2,0,0]=4 10407 B12R2.136 FC1CC(C1)Nc2nccs2 37bea03e005816c4960ea8da1679cf1f [0,1,0,1,0,0|2,0,0]=4 10408 B12R2.136 FC1CN(C1)Cc2cccs2 49f65640683d2affba418fbbb20bd84a [0,1,0,1,0,0|1,0,0]=3 10409 B12R2.136 FC1CN(C1)Cc2nccs2 b6a33c200c36218d9fb4424a48864587 [0,1,0,1,0,0|2,0,0]=4 10410 B12R2.136 F[C@H]1C[C@@H](C1)Nc2ccns2 36a9b1accfdb940031ccede04ffdb473 [0,1,0,1,0,0|2,0,0]=4 10411 B12R2.136 F[C@H]1C[C@@H](C1)Nc2nccs2 2fd63b332237e4fa13a648c6f9b68d55 [0,1,0,1,0,0|2,0,0]=4 10412 B12R2.136 F[C@H]1C[C@H](C1)Nc2ccns2 98c4558f772c32dcf5d6b0d117e8f22d [0,1,0,1,0,0|2,0,0]=4 10413 B12R2.136 F[C@H]1C[C@H](C1)Nc2nccs2 742aa1b7e1a5ddccaecfee3ee5443a5c [0,1,0,1,0,0|2,0,0]=4 10414 B12R2.136 OC1CC(C1)Nc2cccs2 5a568ffaf62e7f20b50c84ffd8ca3523 [0,1,0,1,0,0|1,0,0]=3 10415 B12R2.136 OC1CC(C1)Nc2ccns2 bf91ce9806f07e871f8696cf74e01b78 [0,1,0,1,0,0|2,0,0]=4 10416 B12R2.136 OC1CC(C1)Nc2nccs2 9333578ae341f6d6910577ecb6c1bc6d [0,1,0,1,0,0|2,0,0]=4 10417 B12R2.136 OC1CN(C1)Cc2ccco2 fd5ba5f43edc58e5bbc478a693cd1ea4 [0,1,0,1,0,0|1,1,0]=4 10418 B12R2.136 OC1CN(C1)Cc2cccs2 c162143c4872dcd584840fd676a940f8 [0,1,0,1,0,0|1,0,0]=3 10419 B12R2.136 OC1CN(C1)Cc2nccs2 13ac91a9924fd4b904244ece2439dd50 [0,1,0,1,0,0|2,0,0]=4 10420 B12R2.136 O[C@H]1C[C@@H](C1)Nc2cccs2 9319a33941d5732f6026b3e3cdc9985e [0,1,0,1,0,0|1,0,0]=3 10421 B12R2.136 O[C@H]1C[C@@H](C1)Nc2ccns2 42c52a3b11ceb474582fd69d4039fb17 [0,1,0,1,0,0|2,0,0]=4 10422 B12R2.136 O[C@H]1C[C@@H](C1)Nc2nccs2 b0b1c87d2a8a8fe3e73481ddc8477019 [0,1,0,1,0,0|2,0,0]=4 10423 B12R2.136 O[C@H]1C[C@H](C1)Nc2cccs2 fdaf7861dc61c727007ed09370cc6779 [0,1,0,1,0,0|1,0,0]=3 10424 B12R2.136 O[C@H]1C[C@H](C1)Nc2ccns2 fb38ee622181f7c4832d90aaeb7e5d22 [0,1,0,1,0,0|2,0,0]=4 10425 B12R2.136 O[C@H]1C[C@H](C1)Nc2nccs2 51d351b1fb9947b5ddf87956574247e6 [0,1,0,1,0,0|2,0,0]=4 10426 B12R2.1423 CC(Nc1ccns1)C2CC2 85916beaa880eae7de65ba0b63e0b0f4 [0,1,0,1,0,0|2,0,0]=4 10427 B12R2.1423 CC(Nc1nccs1)C2CC2 1b78637c5bd780b6c364ac1a287cc0b9 [0,1,0,1,0,0|2,0,0]=4 10428 B12R2.1423 CC(Oc1ccco1)C2CC2 092e6ee6ec273e331ff9e37d8d5fb31d [0,1,0,1,0,0|1,1,0]=4 10429 B12R2.1423 CC(Oc1nccs1)C2CC2 a46612c7b0f83016602de22d991ccdaf [0,1,0,1,0,0|2,0,0]=4 10430 B12R2.1423 CN(Cc1ccc[nH]1)C2CC2 5e2cce23ea8d51c7fddf0f16c77dde8c [0,1,0,1,0,0|2,0,0]=4 10431 B12R2.1423 CN(Cc1cccs1)C2CC2 9cb54ae90c5a687d69354672652f2927 [0,1,0,1,0,0|1,0,0]=3 10432 B12R2.1423 CN(Cc1nccs1)C2CC2 c69175cdaf4cfa1c256822e5449213a6 [0,1,0,1,0,0|2,0,0]=4 10433 B12R2.1423 C[C@@H](Nc1ccco1)C2CC2 ccc555b52a0f4b676cf7f64f55609fac [0,1,0,1,0,0|1,1,0]=4 10434 B12R2.1423 C[C@@H](Nc1cccs1)C2CC2 278f57067323e3429dac26aaf605d322 [0,1,0,1,0,0|1,0,0]=3 10435 B12R2.1423 C[C@@H](Nc1ccns1)C2CC2 4894f8c19e7dacd96b55a84be53086d3 [0,1,0,1,0,0|2,0,0]=4 10436 B12R2.1423 C[C@@H](Nc1cncs1)C2CC2 d596a0f247a7f42847efeaf1ed64a8b0 [0,1,0,1,0,0|2,0,0]=4 10437 B12R2.1423 C[C@@H](Nc1nccs1)C2CC2 841db427353118f4b7233bd94b09e912 [0,1,0,1,0,0|2,0,0]=4 10438 B12R2.1423 C[C@H](Nc1ccco1)C2CC2 4723060b3bc7501cdb49b696eb8240fe [0,1,0,1,0,0|1,1,0]=4 10439 B12R2.1423 C[C@H](Nc1cccs1)C2CC2 0762c949dbe9a4eb4db999ceaa76d73b [0,1,0,1,0,0|1,0,0]=3 10440 B12R2.1423 C[C@H](Nc1ccns1)C2CC2 8f7fbbd87496d5e5c734d17dce75c41f [0,1,0,1,0,0|2,0,0]=4 10441 B12R2.1423 C[C@H](Nc1cncs1)C2CC2 db4eef7e009b049cf70b0dc82741c6a3 [0,1,0,1,0,0|2,0,0]=4 10442 B12R2.1423 C[C@H](Nc1nccs1)C2CC2 44d87a0d42391c4774c4e2e6d45b6164 [0,1,0,1,0,0|2,0,0]=4 10443 B12R2.2401 CC1(CC1Nc2ccco2)C 56cc5cf3490dceabba618a8c7d3e06d4 [0,1,0,1,0,0|1,1,0]=4 10444 B12R2.2401 CC1(CC1Nc2ccns2)C 7d6d9bf05044172d373fac8e4106fe08 [0,1,0,1,0,0|2,0,0]=4 10445 B12R2.2401 CC1(CC1Nc2cncs2)C 90e90f81fc4cefb67ffb3781aa809908 [0,1,0,1,0,0|2,0,0]=4 10446 B12R2.2401 CC1(CC1Nc2nccs2)C e229445f600f7cc98e0982067d8b4679 [0,1,0,1,0,0|2,0,0]=4 10447 B12R2.2401 CC1(CC1Oc2ccco2)C 82ded9d0af84e22b011379c28361f949 [0,1,0,1,0,0|1,1,0]=4 10448 B12R2.2401 CC1(CC1Oc2nccs2)C da469e0e6ee2f87189995dfe4b0dc973 [0,1,0,1,0,0|2,0,0]=4 10449 B12R2.2401 CC1(CN1Cc2ccco2)C 16ebe1398da7587036b876ba3e201fef [0,1,0,1,0,0|1,1,0]=4 10450 B12R2.2401 CC1(CN1Cc2cccs2)C 3d36a1efbb4c09962244818994502fd0 [0,1,0,1,0,0|1,0,0]=3 10451 B12R2.2401 CC1(CN1Cc2nccs2)C aeeb5b43eece38e5e570de0dab94926c [0,1,0,1,0,0|2,0,0]=4 10452 B12R2.2401 CC1(C[C@@H]1Nc2ccco2)C 27d56a9b4afb9c16eda0b0e6222b2937 [0,1,0,1,0,0|1,1,0]=4 10453 B12R2.2401 CC1(C[C@@H]1Nc2ccns2)C e50334745d81dd99e450a070c98caaf1 [0,1,0,1,0,0|2,0,0]=4 10454 B12R2.2401 CC1(C[C@@H]1Nc2nccs2)C 3e6eb969957bceb40a21993abc84b735 [0,1,0,1,0,0|2,0,0]=4 10455 B12R2.2401 CC1(C[C@H]1Nc2ccco2)C 3fbce3f77cda6bf28a886a1328e61814 [0,1,0,1,0,0|1,1,0]=4 10456 B12R2.2401 CC1(C[C@H]1Nc2ccns2)C 14d248a5a6de743a85c0f4a72f3834f5 [0,1,0,1,0,0|2,0,0]=4 10457 B12R2.2401 CC1(C[C@H]1Nc2nccs2)C aa4e6d2dc0728c69b923ece8b3f1311c [0,1,0,1,0,0|2,0,0]=4 10458 B12R2.2401 FC1(CC1Nc2cccs2)F af9c481adb0a50a3df170a3260398095 [0,1,0,1,0,0|2,0,0]=4 10459 B12R2.2401 FC1(CC1Oc2cccs2)F 0a8b9d0fe194142c6e740a317b0997c6 [0,1,0,1,0,0|2,0,0]=4 10460 B12R2.211 Cc1ccsc1NC2CC2C e5332822e9799f6891e084ddd00510d4 [0,1,0,1,0,0|1,0,0]=3 10461 B12R2.211 Cc1ccsc1N[C@@H]2C[C@H]2F 5bbf404635da558e00842b570da9e27b [0,1,0,1,0,0|2,0,0]=4 10462 B12R2.211 Cc1ccsc1N[C@H]2C[C@@H]2F 9b1792b130dbd87942b66a5e0513f0ef [0,1,0,1,0,0|2,0,0]=4 10463 B12R2.211 Cc1ccsc1N[C@H]2C[C@H]2F f9c521b956c18383a00cdb2ae4991b33 [0,1,0,1,0,0|2,0,0]=4 10464 B12R2.211 Cc1ncsc1NC2CC2C 78e606fde8dddbdc112be1c006e6ca9c [0,1,0,1,0,0|2,0,0]=4 10465 B12R2.466 Brc1ccoc1COC2CC2 009efeaa1197e546d90ffc02e29ce36f [0,1,0,1,0,0|1,1,0]=4 10466 B12R2.466 Brc1cnsc1COC2CC2 caf2a19b712eaf7e1401a7ade28e13f4 [0,1,0,1,0,0|2,0,0]=4 10467 B12R2.466 Brc1ncsc1COC2CC2 a13a9137a24db980e01527c5fae9b417 [0,1,0,1,0,0|2,0,0]=4 10468 B12R2.466 Cc1ccoc1CNC2CC2 2487e4472b35450c10ffe1af3ceab1ee [0,1,0,1,0,0|1,1,0]=4 10469 B12R2.466 Cc1ccoc1COC2CC2 a4e8902a406683a88e15f3200fcbb6c3 [0,1,0,1,0,0|1,1,0]=4 10470 B12R2.466 Cc1ccsc1COC2CC2 a873bdfb38ea8bfea30359f9f53dc0a8 [0,1,0,1,0,0|1,0,0]=3 10471 B12R2.466 Cc1ccsc1NCC2CC2 dee1bbf540689ce7e6b56debaf9f9d2f [0,1,0,1,0,0|1,0,0]=3 10472 B12R2.466 Cc1ncsc1COC2CC2 0a0ec4aa5ffa5a78dbd497849dfced89 [0,1,0,1,0,0|2,0,0]=4 10473 B12R2.466 Cc1ncsc1NCC2CC2 09b140a0147652b8c8eedeff17759cab [0,1,0,1,0,0|2,0,0]=4 10474 B12R2.466 Clc1ccsc1CNC2CC2 426967e983f89cdaeb6cd6a1941a946f [0,1,0,1,0,0|1,0,0]=3 10475 B12R2.466 Clc1ccsc1COC2CC2 71fb24714ff822113495320dbc5d2db9 [0,1,0,1,0,0|1,0,0]=3 10476 B12R2.466 Clc1ncsc1CNC2CC2 ba9eb998c91a67256033d15d35703de5 [0,1,0,1,0,0|2,0,0]=4 10477 B12R2.466 Clc1ncsc1COC2CC2 e41fad5c3489527876a8bf037e2784c0 [0,1,0,1,0,0|2,0,0]=4 10478 B12R2.466 Cn1cccc1CNC2CC2 e37e410147b6c10b236621ea8cb36ce3 [0,1,0,1,0,0|2,0,0]=4 10479 B12R2.466 Cn1cccc1COC2CC2 790f064e3715e44d37a40b28f154b36c [0,1,0,1,0,0|2,0,0]=4 10480 B12R2.466 Cn1cccc1NCC2CC2 60b30bcdb5c448fe425ab47f2b2af928 [0,1,0,1,0,0|2,0,0]=4 10481 B12R2.466 Cn1cccc1OCC2CC2 76b26b78ea5c264a2c231bb69efede07 [0,1,0,1,0,0|2,0,0]=4 10482 B12R2.466 Fc1ccsc1COC2CC2 1850d6528a0aaefd13b5d8e11b516be8 [0,1,0,1,0,0|1,0,0]=3 10483 B12R2.1114 Cc1ccsc1NC2COC2 7dd2af320d778a833e00f1ec2e44ff6a [0,1,0,1,0,0|2,0,0]=4 10484 B12R2.1114 Cc1ncsc1CN2CCC2 efa633852885805e70100182b344999c [0,1,0,1,0,0|2,0,0]=4 10485 B12R2.1114 Clc1ncsc1CN2CCC2 84f1b57a910a1f4687e0ab4132cee5c5 [0,1,0,1,0,0|2,0,0]=4 10486 B12R2.1114 Cn1cccc1OC2CCC2 8d95511f8dfa40a6a7ab1b3d2e52e614 [0,1,0,1,0,0|2,0,0]=4