0 B12R1.283 CC(=O)c1ncccc1OCF 965cfc8dfe34eef9a7d9eb7d3794e9e0 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.283 CC(=O)c1nccnc1NCF 2c953352ff6443fa904d6a4ddb974cc8 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.283 CC(=O)c1nccnc1NCO 039d8fff70bc1aa2264b3489384ee459 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.283 CC(C)c1cccnc1NC=O 44d38c528953998964f35f0f6de0b70f [0,0,0,0,0,0|3,0,1]=4 4 B12R1.283 CC(C)c1cccnc1NCF 863453ac7ad683a62a94852a5b40f5df [0,0,0,0,0,0|3,0,0]=3 5 B12R1.283 CC(C)c1cccnc1NCO cd28e98c79db6ade689e5cdad040d6bc [0,0,0,0,0,0|3,0,0]=3 6 B12R1.283 CC(C)c1ccnnc1NCF 600c23377dc11740e2f8e42c5ace684c [0,0,0,0,0,0|4,0,0]=4 7 B12R1.283 CC(C)c1ccnnc1NCO 0d2d73f179ff4addc6e8cca1bf8a5aa2 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.283 CC(C)c1cnccc1OCF ac18d30266a4044af30dc5992985d6f6 [0,0,0,0,0,0|4,0,0]=4 9 B12R1.283 CC(C)c1cncnc1NCO a27c64be6326eeb4946b31441c28cb4c [0,0,0,0,0,0|4,0,0]=4 10 B12R1.283 CC(C)c1ncccc1NC=O ff5594f7b7a976652151e3059c9c8274 [0,0,0,0,0,0|3,0,1]=4 11 B12R1.283 CC(C)c1ncccc1NCF 593f572c41b63f1793b46c08c13e0afe [0,0,0,0,0,0|3,0,0]=3 12 B12R1.283 CC(C)c1ncccc1NCO f1eacd316fa0996169c733d554f36a52 [0,0,0,0,0,0|3,0,0]=3 13 B12R1.283 CC(C)c1ncccc1OCF 83e6216dd7350df5be478e33f2c029d2 [0,0,0,0,0,0|2,0,0]=2 14 B12R1.283 CC(C)c1nccnc1NC=O a02dc21d241d3c84177a48ea3a6d4dae [0,0,0,0,0,0|2,0,1]=3 15 B12R1.283 CC(C)c1nccnc1NCF 0f79037385ada73a615fb90f1a4cd135 [0,0,0,0,0,0|2,0,0]=2 16 B12R1.283 CC(C)c1nccnc1NCO bdd7bad20051d8d7f806a8fb8cbb8aa1 [0,0,0,0,0,0|2,0,0]=2 17 B12R1.283 CC(C)c1nccnc1OCF b345cf952ce2214b0f86851791afd0e0 [0,0,0,0,0,0|1,0,0]=1 18 B12R1.283 CC(C)c1ncncc1NCF 33b1cab72e54898e2ce49d531a78aa0a [0,0,0,0,0,0|4,0,0]=4 19 B12R1.283 CC(C)c1ncncc1NCO 0724b9e07d31ac301da551aa50004fdc [0,0,0,0,0,0|4,0,0]=4 20 B12R1.283 CCNc1ccccc1C(C)C 180552fded551838d1a5e4da9f096b0a [0,0,0,0,0,0|3,0,0]=3 21 B12R1.283 CCNc1ccccc1C(C)O a1c6750778ad04218bdd8d7b9cf6c070 [0,0,0,0,0,0|4,0,0]=4 22 B12R1.283 CCNc1ccccc1N(C)C 3673f8525a60ede896644bbc9570baee [0,0,0,0,0,0|4,0,0]=4 23 B12R1.283 CCNc1cccnc1C(=O)C a302b5ac9f7dca10b1f4e7b92f67cad4 [0,0,0,0,0,0|3,0,1]=4 24 B12R1.283 CCNc1cccnc1C(C)C 726b847580c8142b11ca8e9e3b9f89bc [0,0,0,0,0,0|2,0,0]=2 25 B12R1.283 CCNc1cccnc1C(F)F c5a02b57c70df1bd8441affd3cb12808 [0,0,0,0,0,0|4,0,0]=4 26 B12R1.283 CCNc1ccncc1C(C)C 4e3706694297639ad15633271539d201 [0,0,0,0,0,0|4,0,0]=4 27 B12R1.283 CCNc1cnccc1C(C)C b34989648d13e7978f2d26092500784b [0,0,0,0,0,0|4,0,0]=4 28 B12R1.283 CCNc1cncnc1C(C)C ee7b861089257887ad11533465847e2d [0,0,0,0,0,0|3,0,0]=3 29 B12R1.283 CCNc1ncccc1C(=O)C bd99c7d7e7fffc79d9dc62042e9b30b5 [0,0,0,0,0,0|3,0,1]=4 30 B12R1.283 CCNc1ncccc1C(C)C aa57d450e3fe2f0b9b237465d1cc1254 [0,0,0,0,0,0|2,0,0]=2 31 B12R1.283 CCNc1ncccc1C(F)F e4a9a32133ea7d6dedbdc286aed2e93d [0,0,0,0,0,0|4,0,0]=4 32 B12R1.283 CCNc1ncccc1N(C)C 05a6f4cdf82719bf31fca74300c61b3c [0,0,0,0,0,0|3,0,0]=3 33 B12R1.283 CCNc1nccnc1C(=O)C f80d450ada52c8b62523cc882cc50785 [0,0,0,0,0,0|2,0,1]=3 34 B12R1.283 CCNc1nccnc1C(=O)N 8d11588f37cef32f103e87b0cfda873c [0,0,0,0,0,0|3,0,1]=4 35 B12R1.283 CCNc1nccnc1C(=O)O ac5edec02d0eca3cfa1de60ad3fd9c1a [0,0,0,0,0,0|3,0,1]=4 36 B12R1.283 CCNc1nccnc1C(=S)N 7abcd5e77f0a5d23f4704f6d5b6e57cb [0,0,0,0,0,0|3,0,1]=4 37 B12R1.283 CCNc1nccnc1C(C)C 47d48026a1919cb36bfc55160aa323f0 [0,0,0,0,0,0|1,0,0]=1 38 B12R1.283 CCNc1nccnc1N(C)C aa0c24f5ad8570542db849d289a0e1da [0,0,0,0,0,0|2,0,0]=2 39 B12R1.283 CCNc1ncncc1C(C)C b50d792ad13faada07a0e1ff77d178e4 [0,0,0,0,0,0|3,0,0]=3 40 B12R1.283 CCNc1nnccc1C(C)C 4feb1021ccac402fb69ac0f6990ec519 [0,0,0,0,0,0|3,0,0]=3 41 B12R1.283 CCOc1ccccc1C(=O)C 714020703c7343bf4297a0ea0ff54652 [0,0,0,0,0,0|3,0,1]=4 42 B12R1.283 CCOc1ccccc1C(C)C 3ecf5d5e788f989f77b4d846d3c677c5 [0,0,0,0,0,0|2,0,0]=2 43 B12R1.283 CCOc1ccccc1N(C)C fa0ec1081196786492dcfd65bbae8082 [0,0,0,0,0,0|3,0,0]=3 44 B12R1.283 CCOc1ccccc1S(=O)C e5b7eef15aa9fbeb7e7a68972b3e7fbc [0,0,0,0,0,0|4,0,0]=4 45 B12R1.283 CCOc1cccnc1C(=O)C c37ff750f0bc9c3082979457f99ba362 [0,0,0,0,0,0|2,0,1]=3 46 B12R1.283 CCOc1cccnc1C(=O)N 78621c1e03134234e9e226036539949a [0,0,0,0,0,0|3,0,1]=4 47 B12R1.283 CCOc1cccnc1C(=O)O f573e257407c1f9b919d1c95aee1d945 [0,0,0,0,0,0|3,0,1]=4 48 B12R1.283 CCOc1cccnc1C(C)C 563969b98c3353687fd2482cc592558d [0,0,0,0,0,0|1,0,0]=1 49 B12R1.283 CCOc1cccnc1C(F)F 83d1e116b7324c4968076dfc727b34a2 [0,0,0,0,0,0|3,0,0]=3 50 B12R1.283 CCOc1cccnc1N(C)C 10bee1b46d70d58fd653bf325eaaa91b [0,0,0,0,0,0|2,0,0]=2 51 B12R1.283 CCOc1cccnc1[N+](=O)[O-] 9cf146ab76d079b3d186efcd07728c1d [0,0,0,0,0,0|4,0,0]=4 52 B12R1.283 CCOc1ccncc1C(C)C 64621e5452726831f22810486e68c67e [0,0,0,0,0,0|3,0,0]=3 53 B12R1.283 CCOc1ncccc1C(=O)N 401540195c4d9a982da8dd1e274713b0 [0,0,0,0,0,0|3,0,1]=4 54 B12R1.283 CCOc1ncccc1C(=O)O 6df1f7b7a95317b99239972f7ee74542 [0,0,0,0,0,0|3,0,1]=4 55 B12R1.283 CCOc1ncccc1[N+](=O)[O-] 6b127f8dc9e5d4ab7960d47a5cc0358c [0,0,0,0,0,0|4,0,0]=4 56 B12R1.283 CCOc1nccnc1C(=O)N 4278199bf3c897b67026994daf924604 [0,0,0,0,0,0|2,0,1]=3 57 B12R1.283 CCOc1nccnc1C(=O)O 429c6256fbc6c9d7f7a85edc14aad9bb [0,0,0,0,0,0|2,0,1]=3 58 B12R1.283 CCOc1nccnc1C(C)C 6d78c66297e16d7bac9290bdb3fa3d3e [0,0,0,0,0,0|0,0,0]=0 59 B12R1.283 CN(C)c1ccccc1OCF f3cc86310260f123fa78d02e84ef43a8 [0,0,0,0,0,0|4,0,0]=4 60 B12R1.283 CN(C)c1cccnc1NCF c4b6d87a5d7059977459dca09213df3b [0,0,0,0,0,0|4,0,0]=4 61 B12R1.283 CN(C)c1cccnc1NCO 4dab514514bdc3f2de29b2633018dea3 [0,0,0,0,0,0|4,0,0]=4 62 B12R1.283 CN(C)c1ncccc1OCF 4561df6d5fc4aa8a5c2e273a5e5a2967 [0,0,0,0,0,0|3,0,0]=3 63 B12R1.283 CN(C)c1nccnc1NC=O 510e67d086eeb5603806706a3fcc8f03 [0,0,0,0,0,0|3,0,1]=4 64 B12R1.283 CN(C)c1nccnc1NCF 0887f7dc4faf1f4addda1c17ef1a8d67 [0,0,0,0,0,0|3,0,0]=3 65 B12R1.283 CN(C)c1nccnc1NCO 16cf4c2de1811663463545bc4705ada7 [0,0,0,0,0,0|3,0,0]=3 66 B12R1.283 FCOc1cccnc1C(F)F 7cd6a1c6627f5d3d9b62395291a708fd [0,0,0,0,0,0|4,0,0]=4 67 B12R1.283 NC(=O)c1nccnc1OCF dc6bb256321329cfc7cbb7cf4a13ba45 [0,0,0,0,0,0|3,0,1]=4 68 B12R1.283 O=C(O)c1nccnc1OCF 10a77e6c03cd7920b16b91878b8997af [0,0,0,0,0,0|3,0,1]=4 69 B11R1.41 C#Cc1cccnc1OCC ceba8b1560054ce48c3418f144612606 [1,0,0,0,0,0|1,0,2]=4 70 B11R1.41 C#Cc1nccnc1NCC 814056e9040ec9d750e1f56bb3f325ae [1,0,0,0,0,0|1,0,2]=4 71 B11R1.41 CCNc1cccnc1CC 4f4b575e131b0479c2e59b3a14179001 [1,0,0,0,0,0|2,0,0]=3 72 B11R1.41 CCNc1cccnc1CCl c6d62a3683a935723c4144e31f930a92 [1,0,0,0,0,0|3,0,0]=4 73 B11R1.41 CCNc1cccnc1CO 7f7012eab9ad261463e30449d846f6d1 [1,0,0,0,0,0|3,0,0]=4 74 B11R1.41 CCNc1cccnc1OC 6c16951aa28eb8640f69e778236dcc64 [1,0,0,0,0,0|3,0,0]=4 75 B11R1.41 CCNc1cncnc1CC feddd09e0bd4a20ccfcf16249e4283f9 [1,0,0,0,0,0|3,0,0]=4 76 B11R1.41 CCNc1ncccc1CC 86f1aca5e9b7451ffcff7846ea8be432 [1,0,0,0,0,0|2,0,0]=3 77 B11R1.41 CCNc1ncccc1CCl d6359fa04219dbb49be3e0249bb24c6a [1,0,0,0,0,0|3,0,0]=4 78 B11R1.41 CCNc1ncccc1CO db617cee5148168fe31815bf4dd081c0 [1,0,0,0,0,0|3,0,0]=4 79 B11R1.41 CCNc1ncccc1OC e11a6d486ebd6d3676b1c4bdb22a578b [1,0,0,0,0,0|3,0,0]=4 80 B11R1.41 CCNc1ncccc1SC b7dccf5a75922163ebbd2a1ff2b4440e [1,0,0,0,0,0|3,0,0]=4 81 B11R1.41 CCNc1nccnc1C#N f582a533128143b12ed7aa1ca79be747 [1,0,0,0,0,0|2,0,1]=4 82 B11R1.41 CCNc1nccnc1C=O c7e35837c65b46e7218e074b67e54192 [1,0,0,0,0,0|2,0,1]=4 83 B11R1.41 CCNc1nccnc1CC e07e25d7d6008e66a997d60209a22bf4 [1,0,0,0,0,0|1,0,0]=2 84 B11R1.41 CCNc1nccnc1CO 2c7722c380df68d22bd2841f9b891007 [1,0,0,0,0,0|2,0,0]=3 85 B11R1.41 CCNc1nccnc1OC 3dc342deca17865f68170508aef23954 [1,0,0,0,0,0|2,0,0]=3 86 B11R1.41 CCOc1ccccc1CC c0cbeca9621d471e16db2adc053bd410 [1,0,0,0,0,0|2,0,0]=3 87 B11R1.41 CCOc1ccccc1OC 051be9d5b460756062ccc8d982b07057 [1,0,0,0,0,0|3,0,0]=4 88 B11R1.41 CCOc1ccccc1SC c24a0786968dd5cf74c95cd95ac55a28 [1,0,0,0,0,0|3,0,0]=4 89 B11R1.41 CCOc1cccnc1C#N 009b63be258069a5967a7fc273d45faf [1,0,0,0,0,0|2,0,1]=4 90 B11R1.41 CCOc1cccnc1C=O c2376d9c6a6d5f8b110bd9b2dd5a23ed [1,0,0,0,0,0|2,0,1]=4 91 B11R1.41 CCOc1cccnc1CC c989c2c26e1ed5cf83633d96ad9aa2bc [1,0,0,0,0,0|1,0,0]=2 92 B11R1.41 CCOc1cccnc1OC 7bbc4184d60a18d7ecb599265150ad82 [1,0,0,0,0,0|2,0,0]=3 93 B11R1.41 CCOc1cnccc1CC d45825b62adff4e1e492c0028e3db421 [1,0,0,0,0,0|3,0,0]=4 94 B11R1.41 CCOc1ncccc1CC 36d68d57d658301e72d95866a9d02ecb [1,0,0,0,0,0|1,0,0]=2 95 B11R1.41 CCOc1ncncc1CC f9d00ceb6a665a377ca43f4debd0d8bf [1,0,0,0,0,0|2,0,0]=3 96 B11R1.41 CCc1ccccc1OCF ce74522c0890c2ed5828036318cd1d2e [1,0,0,0,0,0|3,0,0]=4 97 B11R1.41 CCc1cccnc1NCF 79b98f3f645739e3c8c0183d036baaed [1,0,0,0,0,0|3,0,0]=4 98 B11R1.41 CCc1cccnc1NCO 79e2d22cdb818b54f97165c9e9ff1a7b [1,0,0,0,0,0|3,0,0]=4 99 B11R1.41 CCc1cccnc1OCF 3eefab2b48a89bee2b2b93a0e9133bfc [1,0,0,0,0,0|2,0,0]=3 100 B11R1.41 CCc1cncnc1OCF 06b0c61ff5d53319a73a2eefedfabc6d [1,0,0,0,0,0|3,0,0]=4 101 B11R1.41 CCc1ncccc1NCO 8def9462b4d3408652c8d04c365636b2 [1,0,0,0,0,0|3,0,0]=4 102 B11R1.41 CCc1ncccc1OCF f627c6330784b0d07ff7a1315ca5f79c [1,0,0,0,0,0|2,0,0]=3 103 B11R1.41 CCc1nccnc1NC#N 538851f22aa1a28eb82b45007807b07f [1,0,0,0,0,0|2,0,1]=4 104 B11R1.41 CCc1nccnc1NC=O 619ab142ddd8ffd8cc79e691509afd80 [1,0,0,0,0,0|2,0,1]=4 105 B11R1.41 CCc1nccnc1NCF 486115acda7d734983e0b13818ef236f [1,0,0,0,0,0|2,0,0]=3 106 B11R1.41 CCc1nccnc1NCO 2ac635d3f17a2c0c22976fdb1330769b [1,0,0,0,0,0|2,0,0]=3 107 B11R1.41 COc1ncccc1OCF d872d46a6c658a85d7985f2c8ad56695 [1,0,0,0,0,0|3,0,0]=4 108 B11R1.41 COc1nccnc1NCF 8c29c411549f717b4155c0bd1106d0ac [1,0,0,0,0,0|3,0,0]=4 109 B11R1.41 COc1nccnc1NCO 4679584531f3e420c46cede4443d9182 [1,0,0,0,0,0|3,0,0]=4 110 B11R1.41 OCNc1nccnc1CO 41e786d7fc5e3d1c90268722c5ac1f17 [1,0,0,0,0,0|3,0,0]=4 111 B11R1.41 OCc1nccnc1NCF 9ff477a45116bc2eac317a0b9773e85c [1,0,0,0,0,0|3,0,0]=4 112 B13R1.141 CC(C)c1cc(ccc1OCF)Cl 507de68514e1c72c770ea684efda6a86 [0,1,0,0,0,0|3,0,0]=4 113 B13R1.141 CC(C)c1cc(ccc1OCF)I da95cc077c961daeb790329335ab8c06 [0,1,0,0,0,0|3,0,0]=4 114 B13R1.141 CC(C)c1cc(nnc1OCF)Cl a0663439efb8b157d71f5927476f250b [0,1,0,0,0,0|3,0,0]=4 115 B13R1.141 CC(C)c1nc(cnc1OCF)Br 7aeb36ec7e9acccde8b2035cd0ac00e7 [0,1,0,0,0,0|1,0,0]=2 116 B13R1.141 CCNc1ccc(cc1C(C)C)F d68efa75b5d93966ee73b25b83b806ad [0,1,0,0,0,0|3,0,0]=4 117 B13R1.141 CCNc1ncc(cc1N(C)C)Br cc7eb4d1a93aec42c1968f7041b4d3d4 [0,1,0,0,0,0|3,0,0]=4 118 B13R1.141 CCNc1ncc(nc1C(=O)C)Br 668d7e87cf13cf5e755111cea15d17b0 [0,1,0,0,0,0|2,0,1]=4 119 B13R1.141 CCNc1ncc(nc1C(=O)C)Cl d4f9389f8eeccf1a518385651353b23e [0,1,0,0,0,0|2,0,1]=4 120 B13R1.141 CCNc1ncc(nc1C(F)F)Br f00d103251b9abf41b69e579182bdc79 [0,1,0,0,0,0|3,0,0]=4 121 B13R1.141 CCNc1ncc(nc1N(C)C)Br db0524f34a750106927e08e200edd368 [0,1,0,0,0,0|2,0,0]=3 122 B13R1.141 CCOc1ccc(cc1C(C)C)C e1a6534bac30d1ed3fb99ccb7ef0c42b [0,1,0,0,0,0|2,0,0]=3 123 B13R1.141 CCOc1ccc(cc1C(C)C)Cl ef620f23686c8e4bbbc9388488acabdb [0,1,0,0,0,0|2,0,0]=3 124 B13R1.141 CCOc1ccc(cc1C(C)C)I f39ca0409647fd2163daa92c46b8c0ae [0,1,0,0,0,0|2,0,0]=3 125 B13R1.141 CCOc1ccc(cc1N(C)C)Cl 2df84bf9b61657384acc8c8c184f7952 [0,1,0,0,0,0|3,0,0]=4 126 B13R1.141 CCOc1ccc(nc1C(F)F)Cl dab8099e073145b88979953df51b2e6e [0,1,0,0,0,0|3,0,0]=4 127 B13R1.141 CCOc1ncc(cc1C(F)F)Br 70b494415b1ef189575763463ca057cd [0,1,0,0,0,0|3,0,0]=4 128 B13R1.141 CCOc1ncc(nc1C(=O)N)Br 8b40b60c145793e08bea9eced87b2793 [0,1,0,0,0,0|2,0,1]=4 129 B13R1.141 CCOc1ncc(nc1C(=O)N)Cl d79d379d8ca335559c97be98206456cc [0,1,0,0,0,0|2,0,1]=4 130 B13R1.141 CCOc1ncc(nc1C(=O)O)Br ef1cd2aedf4aa0b84ce18eac333514c5 [0,1,0,0,0,0|2,0,1]=4 131 B13R1.141 CCOc1ncc(nc1C(C)C)Br 4bc2c35d4cf791f6e04b1ba397812e62 [0,1,0,0,0,0|0,0,0]=1 132 B13R1.141 CCOc1nnc(cc1C(C)C)Cl 06376d5e31a8ad15ad8a8c6b9ef35038 [0,1,0,0,0,0|2,0,0]=3 133 B13R1.141 CN(C)c1nc(cnc1NCF)Br faf1fefb7926939d0b9563032414b29e [0,1,0,0,0,0|3,0,0]=4 134 B13R1.141 CN(C)c1nc(cnc1NCO)Br 096f0e8c82126253b15f4d507d43f188 [0,1,0,0,0,0|3,0,0]=4 135 B13R1.356 CC(C)c1ncc(cc1NCF)Br 7a2397a20943faf72013952ba6373d2c [0,1,0,0,0,0|3,0,0]=4 136 B13R1.356 CC(C)c1ncc(cc1NCO)Br 5d0a477f3c46e80328b1d5a1506e71e2 [0,1,0,0,0,0|3,0,0]=4 137 B13R1.356 CCNc1cc(ccc1C(C)C)C b3062be7e99be0fb84a3f639af2a4353 [0,1,0,0,0,0|3,0,0]=4 138 B13R1.356 CCNc1cc(ccc1C(C)C)Cl f9b9c05875fe55f8f6bc81467d4daa98 [0,1,0,0,0,0|3,0,0]=4 139 B13R1.356 CCNc1cc(ccc1C(C)C)F c58a5155f58aa03d1e4a280706932272 [0,1,0,0,0,0|3,0,0]=4 140 B13R1.356 CCNc1cc(cnc1C(C)C)Br 38374621a5aea60eac0554ac9d271468 [0,1,0,0,0,0|2,0,0]=3 141 B13R1.356 CCNc1nc(cnc1C(=O)C)Cl a9259b0552d79cc48f3b3ac1f957774c [0,1,0,0,0,0|2,0,1]=4 142 B13R1.356 CCOc1cc(ccc1C(C)C)C c1971ea68d9db94abaef42caec5eb07d [0,1,0,0,0,0|2,0,0]=3 143 B13R1.356 CCOc1cc(ccc1N(C)C)Cl 56526450e1eb13be85628c6f0d0aa0e5 [0,1,0,0,0,0|3,0,0]=4 144 B13R1.356 CCOc1cc(cnc1C(=O)C)Br 8843d36ae2c3d72a9091948b8ace08f6 [0,1,0,0,0,0|2,0,1]=4 145 B13R1.356 CCOc1nc(ccc1C(=O)C)Cl 717cb91d6fe40f04e9b29cf20cad8898 [0,1,0,0,0,0|2,0,1]=4 146 B13R1.381 CC(C)(C)c1ccccc1OCF 52c854c591619359da173bfaba8fea22 [0,1,0,0,0,0|3,0,0]=4 147 B13R1.381 CC(C)(C)c1ncccc1NCF 986ee7a08274892fdfbbfd4c952b738a [0,1,0,0,0,0|3,0,0]=4 148 B13R1.381 CC(C)(C)c1ncccc1NCO ca60a734ba6f201645b08149d20439a0 [0,1,0,0,0,0|3,0,0]=4 149 B13R1.381 CC(C)(C)c1ncccc1OCF 46d2f8841d544d645a10f61ecef81f85 [0,1,0,0,0,0|2,0,0]=3 150 B13R1.381 CCNc1ccccc1C(C)(C)C dd092975872737d64719a3587d1b06f0 [0,1,0,0,0,0|3,0,0]=4 151 B13R1.381 CCNc1ccccc1C(C)(C)O c32b13d2885cf95ff5b6fbea2add779c [0,1,0,0,0,0|3,0,0]=4 152 B13R1.381 CCNc1cccnc1C(C)(C)C 74f5e8312df420d8550623fb27dbc057 [0,1,0,0,0,0|2,0,0]=3 153 B13R1.381 CCNc1nccnc1C(F)(F)F a892d4006d7bdad4775b1d10bd92f8bd [0,1,0,0,0,0|3,0,0]=4 154 B13R1.381 CCOc1ccccc1C(C)(C)C 0fcb5a7822bd1e8fb331888212aeba9a [0,1,0,0,0,0|2,0,0]=3 155 B13R1.381 CCOc1ccccc1C(C)(F)F 988572a0f61ad5d93443adc646d9f66b [0,1,0,0,0,0|3,0,0]=4 156 B13R1.381 CCOc1cccnc1C(C)(C)C 4267efcfc4e71cd7c863ddb29a02cfc2 [0,1,0,0,0,0|1,0,0]=2 157 B13R1.381 CCOc1cccnc1C(F)(F)F 9fab6c571c0a1658a692e9381e606215 [0,1,0,0,0,0|3,0,0]=4 158 B13R1.381 CCOc1ncccc1C(F)(F)F a9f7e1b2b566de0950f8099cee82e850 [0,1,0,0,0,0|3,0,0]=4 159 B13R1.382 CCN(C)c1nccnc1COC cb993d808626b018e054fc94c4e658f5 [0,1,0,0,0,0|3,0,0]=4 160 B13R1.382 CCNc1cncnc1C(C)CC 603f1868715fdee5e680a5441a8c3af7 [0,1,0,0,0,0|3,0,0]=4 161 B13R1.382 CCNc1nccnc1C(=O)NC 1ae05a459d76e545cc827fd509d04a3a [0,1,0,0,0,0|2,0,1]=4 162 B13R1.382 CCNc1nccnc1C(=O)OC 0a4efbd2fc274f2ef190492926e81765 [0,1,0,0,0,0|2,0,1]=4 163 B13R1.382 CCOc1ccccc1N(C)CC fc749155c9a5e5336e67e1775ae84495 [0,1,0,0,0,0|3,0,0]=4 164 B13R1.382 CCOc1cccnc1C(=O)NC 70f3923ca802d65f4d7ee53de4a3de05 [0,1,0,0,0,0|2,0,1]=4 165 B13R1.382 CCOc1cccnc1C(=O)OC 65955b2ca8bf0034e6735a887553177e [0,1,0,0,0,0|2,0,1]=4 166 B13R1.382 CCOc1cccnc1N(C)CC 2f684ee78acadc23dbc9d2b77b707050 [0,1,0,0,0,0|2,0,0]=3 167 B13R1.382 CCOc1ncccc1N(C)CC 55acebc4139d7c94654e59927f6c8f7e [0,1,0,0,0,0|2,0,0]=3 168 B13R1.382 CCOc1nccnc1C(=O)OC a7535b3538a6a087559abb7ec8d7b28a [0,1,0,0,0,0|1,0,1]=3 169 B13R1.382 CCOc1nccnc1N(C)CC 483c80f04bb9982e8530cbd91f901360 [0,1,0,0,0,0|1,0,0]=2 170 B13R1.382 CCSc1ncccc1N(C)CC 69f141b8523e9555faccd25ea1b1b9aa [0,1,0,0,0,0|2,1,0]=4 171 B13R1.382 COC(=O)c1nccnc1OCF 33c94322b6b3cd79c8aef9d9901591c2 [0,1,0,0,0,0|2,0,1]=4 172 B13R1.547 CCN(C)c1ccccc1C(C)C db71357b0e0543e425054a278a445d27 [0,1,0,0,0,0|3,0,0]=4 173 B13R1.547 CCN(C)c1ncccc1C(C)C bbaf017d1673a46cb6b940c40180f659 [0,1,0,0,0,0|2,0,0]=3 174 B13R1.547 CCN(C)c1nccnc1C(=O)C 56fa40ed7c6c23c74ac2880e4e7e8bbb [0,1,0,0,0,0|2,0,1]=4 175 B13R1.547 CCN(C)c1nnccc1C(C)C 2f475634a9c3e9e194837520db0cab4b [0,1,0,0,0,0|3,0,0]=4 176 B13R1.572 C#CCNc1cccnc1C(C)C ab8bebeefd8ffd8d71ab7a80a0a7c256 [0,1,0,0,0,0|2,0,1]=4 177 B13R1.572 C#CCNc1ncccc1C(C)C 442b7ca8350e4279daaadff21d30c8f1 [0,1,0,0,0,0|2,0,1]=4 178 B13R1.572 C#CCNc1nccnc1C(C)C 892c4a8ff85e1d1160c1f4eb25211c48 [0,1,0,0,0,0|1,0,1]=3 179 B13R1.572 C#CCNc1nccnc1N(C)C c679534d606ab8aae31df1dc8eddb473 [0,1,0,0,0,0|2,0,1]=4 180 B13R1.572 C#CCOc1ccccc1C(C)C d5e9264ecefb2ba5fa1ea51db26c821d [0,1,0,0,0,0|2,0,1]=4 181 B13R1.572 C#CCOc1cccnc1C(C)C 2d73f15d0189d1a8e370c67589656204 [0,1,0,0,0,0|1,0,1]=3 182 B13R1.572 C#CCOc1cccnc1N(C)C 27f4369a723cd427eaaab565ea9625dc [0,1,0,0,0,0|2,0,1]=4 183 B13R1.572 C#CCOc1nccnc1C(C)C d16cb9bd477f0646006f169285a11271 [0,1,0,0,0,0|0,0,1]=2 184 B13R1.572 C=CCNc1cccnc1C(C)C ef60231b5da10609614ff5165502a30f [0,1,0,0,0,0|2,0,1]=4 185 B13R1.572 C=CCNc1ncccc1C(C)C a146e902fd64a58e7dde1ffebeb627f4 [0,1,0,0,0,0|2,0,1]=4 186 B13R1.572 C=CCNc1nccnc1C(C)C 3f29d1672e37bc2355451e994796bad0 [0,1,0,0,0,0|1,0,1]=3 187 B13R1.572 C=CCNc1nccnc1N(C)C d2b26855da4401b1a1d2ce2b25e61a72 [0,1,0,0,0,0|2,0,1]=4 188 B13R1.572 C=CCOc1ccccc1C(C)C 156770c3d23e98369e52233f0ccebf4f [0,1,0,0,0,0|2,0,1]=4 189 B13R1.572 C=CCOc1cccnc1C(C)C 4a2771c78134258f80a36f4ace348599 [0,1,0,0,0,0|1,0,1]=3 190 B13R1.572 C=CCOc1cccnc1N(C)C fbccd9f241dbadd4f4dbc574630b3e22 [0,1,0,0,0,0|2,0,1]=4 191 B13R1.572 C=CCOc1nccnc1C(C)C 6c55e4d2ec7ca654b03e7858c766e2e5 [0,1,0,0,0,0|0,0,1]=2 192 B13R1.572 CC(=O)c1ncccc1OCCF 04c67ddabb59182ef7ca09ad9de02ab1 [0,1,0,0,0,0|2,0,1]=4 193 B13R1.572 CC(=O)c1ncccc1OCCS a5101bc25aedc1e919a557ad80d5625f [0,1,0,0,0,0|2,0,1]=4 194 B13R1.572 CC(=O)c1nccnc1NCCBr 5c3b356ebb05a0bffcaccc2d89e94a04 [0,1,0,0,0,0|2,0,1]=4 195 B13R1.572 CC(=O)c1nccnc1NCCF e1c47d6816e878dcc8e21f79fec83a0a [0,1,0,0,0,0|2,0,1]=4 196 B13R1.572 CC(=O)c1nccnc1NCCI 7a7facff0977f5aebef0b8bea8f3fbc1 [0,1,0,0,0,0|2,0,1]=4 197 B13R1.572 CC(=O)c1nccnc1NCCO 54550b887996cc253d14ceb798d779ac [0,1,0,0,0,0|2,0,1]=4 198 B13R1.572 CC(=O)c1nccnc1NCCS 788f42680a16fca8c7a9f214cddad4ed [0,1,0,0,0,0|2,0,1]=4 199 B13R1.572 CC(C)c1ccccc1COCF 8020f75fbd524d4cc0856ecb87e5982b [0,1,0,0,0,0|3,0,0]=4 200 B13R1.572 CC(C)c1ccccc1NCCBr cea2d43aa37412c7b0cd3a99ec77d55d [0,1,0,0,0,0|3,0,0]=4 201 B13R1.572 CC(C)c1ccccc1NCCF fc32363461b5c9afa3a3c59de5eac737 [0,1,0,0,0,0|3,0,0]=4 202 B13R1.572 CC(C)c1ccccc1NCCI 227e4258c1b0bd80aeb8ea6983b7f3cb [0,1,0,0,0,0|3,0,0]=4 203 B13R1.572 CC(C)c1ccccc1NCCO 41a916dbe0c2f7ed86f81aadf4eeaeb5 [0,1,0,0,0,0|3,0,0]=4 204 B13R1.572 CC(C)c1ccccc1NCCS 81d138231e7d6313f183adb06889c571 [0,1,0,0,0,0|3,0,0]=4 205 B13R1.572 CC(C)c1ccccc1OCC#N 18ebc1d953527ad626a1a7ce7d8d1f4b [0,1,0,0,0,0|2,0,1]=4 206 B13R1.572 CC(C)c1ccccc1OCC=O b1ce43de8996625a11c4e7e3d6e0d14d [0,1,0,0,0,0|2,0,1]=4 207 B13R1.572 CC(C)c1ccccc1OCCS 41d9eb25f8a85233b71dc409ca4eeb9d [0,1,0,0,0,0|2,0,0]=3 208 B13R1.572 CC(C)c1cccnc1COCF 147595e2e214e9786a51c41fc19294a0 [0,1,0,0,0,0|2,0,0]=3 209 B13R1.572 CC(C)c1cccnc1NCC#N 86265e062e6e4fed9d13297b631303f5 [0,1,0,0,0,0|2,0,1]=4 210 B13R1.572 CC(C)c1cccnc1NCC=O 95a17b707bb175fba17d030b61692119 [0,1,0,0,0,0|2,0,1]=4 211 B13R1.572 CC(C)c1cccnc1NCCBr cd70a4c32bd7435ec2b37a0e801ec7f0 [0,1,0,0,0,0|2,0,0]=3 212 B13R1.572 CC(C)c1cccnc1NCCF 4ee748ada596c98a46d340cd475f0202 [0,1,0,0,0,0|2,0,0]=3 213 B13R1.572 CC(C)c1cccnc1NCCI 75001622a0305d3215f51e86aaddb9c5 [0,1,0,0,0,0|2,0,0]=3 214 B13R1.572 CC(C)c1cccnc1NCCO 596bfb85a93aca5573a5b472feb91abf [0,1,0,0,0,0|2,0,0]=3 215 B13R1.572 CC(C)c1cccnc1NCCS 6f2c0ddeded44a289d99ae286f4d49ec [0,1,0,0,0,0|2,0,0]=3 216 B13R1.572 CC(C)c1ccnnc1NCCF dab942c4338dedd515bddfe45bd5d06d [0,1,0,0,0,0|3,0,0]=4 217 B13R1.572 CC(C)c1ccnnc1NCCO 75cfa7db467a1ec5ab6852819628ecb9 [0,1,0,0,0,0|3,0,0]=4 218 B13R1.572 CC(C)c1ccnnc1NCCS 6fc662c556e3d026266277767f9eb306 [0,1,0,0,0,0|3,0,0]=4 219 B13R1.572 CC(C)c1cnccc1OCCF 6a598f01cfe0b6b4ef7cd3830a183e43 [0,1,0,0,0,0|3,0,0]=4 220 B13R1.572 CC(C)c1cnccc1OCCS 1468f27d6eefad9886f23d33c9818fa4 [0,1,0,0,0,0|3,0,0]=4 221 B13R1.572 CC(C)c1cncnc1NCCF 6bb198342860f08c3fcd1104a58335fc [0,1,0,0,0,0|3,0,0]=4 222 B13R1.572 CC(C)c1cncnc1NCCO 20fdcf575c6bd32f51197a9759513631 [0,1,0,0,0,0|3,0,0]=4 223 B13R1.572 CC(C)c1cncnc1NCCS 6328d34bb68140c20903a3bf91ecb8ab [0,1,0,0,0,0|3,0,0]=4 224 B13R1.572 CC(C)c1ncccc1COCF 7a28086afb34f916bfba81d593856e81 [0,1,0,0,0,0|2,0,0]=3 225 B13R1.572 CC(C)c1ncccc1NCC#N 54598be3c613c14bde51989951e7f6e8 [0,1,0,0,0,0|2,0,1]=4 226 B13R1.572 CC(C)c1ncccc1NCC=O 2201b4cfeff05ee9ae0a2fe7c09f015e [0,1,0,0,0,0|2,0,1]=4 227 B13R1.572 CC(C)c1ncccc1NCCF bd2e2b2ae64532e32b993f3b101badc3 [0,1,0,0,0,0|2,0,0]=3 228 B13R1.572 CC(C)c1ncccc1NCCO d01926a211e5c157bb9aa3a2e267da30 [0,1,0,0,0,0|2,0,0]=3 229 B13R1.572 CC(C)c1ncccc1NCCS d35e2a8eec32968be4b722c227cd879b [0,1,0,0,0,0|2,0,0]=3 230 B13R1.572 CC(C)c1ncccc1OCC#N 96785e6fff101a738db4336e8861254e [0,1,0,0,0,0|1,0,1]=3 231 B13R1.572 CC(C)c1ncccc1OCC=O cd8030476d329a92451db8e77e3bc6a8 [0,1,0,0,0,0|1,0,1]=3 232 B13R1.572 CC(C)c1ncccc1OCCF 4130d9b66fbad641d08d7135e4e0a5ac [0,1,0,0,0,0|1,0,0]=2 233 B13R1.572 CC(C)c1ncccc1OCCS 8ac68e1c709a5e0a373e0b13b6748b9d [0,1,0,0,0,0|1,0,0]=2 234 B13R1.572 CC(C)c1nccnc1NCC#N 458f01825d94a00d2478d02b08354a0c [0,1,0,0,0,0|1,0,1]=3 235 B13R1.572 CC(C)c1nccnc1NCC=O 69082fe6e174840fa6c6cdcd72f0c0eb [0,1,0,0,0,0|1,0,1]=3 236 B13R1.572 CC(C)c1nccnc1NCCBr 9e3a6ad71ae1174f7a0a2fb8959a5f0d [0,1,0,0,0,0|1,0,0]=2 237 B13R1.572 CC(C)c1nccnc1NCCF 7532caf855d3077a2dd5d432352b0c10 [0,1,0,0,0,0|1,0,0]=2 238 B13R1.572 CC(C)c1nccnc1NCCO fb0c9729be5e144ded52569c1a6c428a [0,1,0,0,0,0|1,0,0]=2 239 B13R1.572 CC(C)c1nccnc1NCCS 94525f3eb29dd37cea406cc1b469cf6d [0,1,0,0,0,0|1,0,0]=2 240 B13R1.572 CC(C)c1nccnc1OCC#N a4061f220644063cf814e34a7bda6387 [0,1,0,0,0,0|0,0,1]=2 241 B13R1.572 CC(C)c1nccnc1OCC=O 3ebe7d030c1725c54ab3c62bf2ce2773 [0,1,0,0,0,0|0,0,1]=2 242 B13R1.572 CC(C)c1nccnc1OCCF 8d0b7eeeff1025667b3b3dbfc15b12ca [0,1,0,0,0,0|0,0,0]=1 243 B13R1.572 CC(C)c1nccnc1OCCS 6c63806dc7f5201c2610efafef67ec3b [0,1,0,0,0,0|0,0,0]=1 244 B13R1.572 CC(C)c1ncncc1NCCF 0045bb2c00dfe602c3989db62740058f [0,1,0,0,0,0|3,0,0]=4 245 B13R1.572 CC(C)c1ncncc1NCCO 932012b5e63da01c11c1d7edad2f3d79 [0,1,0,0,0,0|3,0,0]=4 246 B13R1.572 CC(C)c1ncncc1NCCS 77a3a4e53a1f83bd07e0ff70e5a73a97 [0,1,0,0,0,0|3,0,0]=4 247 B13R1.572 CC(O)c1cccnc1NCCBr f385693496cd293e276ef41607008764 [0,1,0,0,0,0|3,0,0]=4 248 B13R1.572 CC(O)c1cccnc1NCCF 20d393389e7fa0305b65f1393c367c24 [0,1,0,0,0,0|3,0,0]=4 249 B13R1.572 CC(O)c1cccnc1NCCI 2784f5bd03435741a1af5fd05e36134d [0,1,0,0,0,0|3,0,0]=4 250 B13R1.572 CC(O)c1cccnc1NCCO 464bafbe2a40bc6552b88b63c83e37c5 [0,1,0,0,0,0|3,0,0]=4 251 B13R1.572 CC(O)c1cccnc1NCCS e512038d4a6d02fc019d67955a518292 [0,1,0,0,0,0|3,0,0]=4 252 B13R1.572 CC(O)c1ncccc1NCCBr 37637fcfb3c606ef5e1ce6eec1c89fb6 [0,1,0,0,0,0|3,0,0]=4 253 B13R1.572 CC(O)c1ncccc1NCCS da02bdfab764f1afb3aeccc9e460cc28 [0,1,0,0,0,0|3,0,0]=4 254 B13R1.572 CCCNc1ccccc1C(C)C 325a507795394e8298c9c096ab8f1c6f [0,1,0,0,0,0|3,0,0]=4 255 B13R1.572 CCCNc1cccnc1C(C)C 9e91c2bba1064a9601f12ba6e788f532 [0,1,0,0,0,0|2,0,0]=3 256 B13R1.572 CCCNc1cncnc1C(C)C 5d8d39e1201ed9baf7a0fed1cc5e5a48 [0,1,0,0,0,0|3,0,0]=4 257 B13R1.572 CCCNc1ncccc1C(C)C 51055e1476bc4f3f306823cecdd39cd2 [0,1,0,0,0,0|2,0,0]=3 258 B13R1.572 CCCNc1ncccc1C(C)O 0729dae9b13125a2b74db1b7dbf05e55 [0,1,0,0,0,0|3,0,0]=4 259 B13R1.572 CCCNc1ncccc1N(C)C b7bff84568835cc126145543208fae94 [0,1,0,0,0,0|3,0,0]=4 260 B13R1.572 CCCNc1nccnc1C(=O)C fe55a0cc9ddca851632a6ec11a900e36 [0,1,0,0,0,0|2,0,1]=4 261 B13R1.572 CCCNc1nccnc1C(C)C 827abb219200c12b4c3c06f751b89a74 [0,1,0,0,0,0|1,0,0]=2 262 B13R1.572 CCCNc1nccnc1N(C)C 40b0b71e29e1033457931e281bbd367d [0,1,0,0,0,0|2,0,0]=3 263 B13R1.572 CCCNc1nnccc1C(C)C 8766975be35c339c7cc49403295de92e [0,1,0,0,0,0|3,0,0]=4 264 B13R1.572 CCCOc1ccccc1C(C)C eff44d96859adbab1d403ffc83bed67c [0,1,0,0,0,0|2,0,0]=3 265 B13R1.572 CCCOc1ccccc1N(C)C ab4b7b731f850c0a4dc2fc11ff027c3a [0,1,0,0,0,0|3,0,0]=4 266 B13R1.572 CCCOc1cccnc1C(=O)C 283aef20c2ed6d4470e3601787e42b8b [0,1,0,0,0,0|2,0,1]=4 267 B13R1.572 CCCOc1cccnc1C(C)C 3d441102931d0c5c157ece81b1992c90 [0,1,0,0,0,0|1,0,0]=2 268 B13R1.572 CCCOc1cccnc1C(F)F 42f647c855169027ce9376952b57b324 [0,1,0,0,0,0|3,0,0]=4 269 B13R1.572 CCCOc1cccnc1N(C)C ae399ef841d2670a1d9d12c695061451 [0,1,0,0,0,0|2,0,0]=3 270 B13R1.572 CCCOc1ccncc1C(C)C 4f8c223c76c92f4539c35dcfa4270f9d [0,1,0,0,0,0|3,0,0]=4 271 B13R1.572 CCCOc1nccnc1C(=O)N 9a8ea63ddd4fc56c88ad32a6d99a8588 [0,1,0,0,0,0|2,0,1]=4 272 B13R1.572 CCCOc1nccnc1C(=O)O 4f82446dbe870b5fb0cdf0f69f72295c [0,1,0,0,0,0|2,0,1]=4 273 B13R1.572 CCCOc1nccnc1C(C)C e3a335a347964ab2ded2db0739271e54 [0,1,0,0,0,0|0,0,0]=1 274 B13R1.572 CCNCc1cccnc1N(C)C 2432f308cb8a312341e542229e443d21 [0,1,0,0,0,0|3,0,0]=4 275 B13R1.572 CCOCc1ccccc1C(C)C 25a9109e128e3c53528b2112d1137d9a [0,1,0,0,0,0|2,0,0]=3 276 B13R1.572 CCOCc1ccccc1N(C)C 42cf16b71eb5228268f2bfe0ef4a7a4e [0,1,0,0,0,0|3,0,0]=4 277 B13R1.572 CCOCc1cccnc1C(C)C dcf61fce351669363db7f43e044eaf83 [0,1,0,0,0,0|1,0,0]=2 278 B13R1.572 CCOCc1cccnc1C(F)F 5d39bfd31fe6606f0168683c7375d599 [0,1,0,0,0,0|3,0,0]=4 279 B13R1.572 CCOCc1cccnc1N(C)C e03ee16a68cf8f26545b4a8e3184bce2 [0,1,0,0,0,0|2,0,0]=3 280 B13R1.572 CCOCc1ncccc1C(C)C 84dbdc75c15de2e044ffe8661a6aeba6 [0,1,0,0,0,0|1,0,0]=2 281 B13R1.572 CN(C)c1ccccc1OCCF 149e686b2e40501241cbe5e3731fa7b1 [0,1,0,0,0,0|3,0,0]=4 282 B13R1.572 CN(C)c1ccccc1OCCS 9638525241034cc74f87ec32f732795d [0,1,0,0,0,0|3,0,0]=4 283 B13R1.572 CN(C)c1cccnc1NCCF 0e0c80808ccd7c22b64f6c5326402b50 [0,1,0,0,0,0|3,0,0]=4 284 B13R1.572 CN(C)c1cccnc1NCCO 60392b328d70f09a1a65f4d8a2f4ad0d [0,1,0,0,0,0|3,0,0]=4 285 B13R1.572 CN(C)c1cccnc1NCCS 62f921c594a49de5c152f5fcdafad0b4 [0,1,0,0,0,0|3,0,0]=4 286 B13R1.572 CN(C)c1ncccc1COCF 2d9e82e61efe7033a3e9d21c52241732 [0,1,0,0,0,0|3,0,0]=4 287 B13R1.572 CN(C)c1ncccc1OCC#N 3248a761f4abfc8f40698e89a1e2f49e [0,1,0,0,0,0|2,0,1]=4 288 B13R1.572 CN(C)c1ncccc1OCC=O 96b182c865c18a2813d30c0d768ac8c3 [0,1,0,0,0,0|2,0,1]=4 289 B13R1.572 CN(C)c1ncccc1OCCF 29f69d97bd92d0efd057c9f4cff93778 [0,1,0,0,0,0|2,0,0]=3 290 B13R1.572 CN(C)c1ncccc1OCCS 0d64cb0ef6b38518d3d4833663fd7194 [0,1,0,0,0,0|2,0,0]=3 291 B13R1.572 CN(C)c1nccnc1NCC#N d300f385bb35dbab1433c4ccbeffe4a6 [0,1,0,0,0,0|2,0,1]=4 292 B13R1.572 CN(C)c1nccnc1NCC=O 0a3a7a68bd7aafd089ac8384df0b00a9 [0,1,0,0,0,0|2,0,1]=4 293 B13R1.572 CN(C)c1nccnc1NCCF d83896dd9c686ade4e1aca076588104a [0,1,0,0,0,0|2,0,0]=3 294 B13R1.572 CN(C)c1nccnc1NCCO 35119485453933751f0cc3d6d3e139e7 [0,1,0,0,0,0|2,0,0]=3 295 B13R1.572 CN(C)c1nccnc1NCCS 1a75b9f6fb2dc6ece28081b15a43245d [0,1,0,0,0,0|2,0,0]=3 296 B13R1.572 COCNc1ccccc1C(C)C 19049220f71868cac01cfd54c30ee86b [0,1,0,0,0,0|3,0,0]=4 297 B13R1.572 COCNc1cccnc1C(C)C 95a225425cff85582b1c84e81de5af86 [0,1,0,0,0,0|2,0,0]=3 298 B13R1.572 COCNc1cncnc1C(C)C 05a02477e09c63aa83f6caf231c36f15 [0,1,0,0,0,0|3,0,0]=4 299 B13R1.572 COCNc1ncccc1C(C)C 3de03ff123a9ada2358e5c86f51c3c05 [0,1,0,0,0,0|2,0,0]=3 300 B13R1.572 COCNc1ncccc1N(C)C 525a69bcf647dab550c45391de876d37 [0,1,0,0,0,0|3,0,0]=4 301 B13R1.572 COCNc1nccnc1C(=O)C 5951b7351aedee3298d877f3db4ff908 [0,1,0,0,0,0|2,0,1]=4 302 B13R1.572 COCNc1nccnc1C(C)C 2fad78a77a54c8484fd30143ef30ab9b [0,1,0,0,0,0|1,0,0]=2 303 B13R1.572 COCNc1nccnc1N(C)C 484512de1068e2c5510361825233b683 [0,1,0,0,0,0|2,0,0]=3 304 B13R1.572 COCNc1ncncc1C(C)C 3c2696f110887097902cc4d3f6569516 [0,1,0,0,0,0|3,0,0]=4 305 B13R1.572 COCNc1nnccc1C(C)C 5a708670066b6684231982d121771b78 [0,1,0,0,0,0|3,0,0]=4 306 B13R1.572 COCOc1ccccc1C(C)C 5031a5dc8dbed7177065860e19035e21 [0,1,0,0,0,0|2,0,0]=3 307 B13R1.572 COCOc1ccccc1N(C)C 019ddb090c1e830d7ab32b2165797485 [0,1,0,0,0,0|3,0,0]=4 308 B13R1.572 COCOc1cccnc1C(=O)C 5fd33fa4f6ff036748eb709fbf34befc [0,1,0,0,0,0|2,0,1]=4 309 B13R1.572 COCOc1cccnc1C(C)C 7cead9f221f219eb86479a0d906f8924 [0,1,0,0,0,0|1,0,0]=2 310 B13R1.572 COCOc1cccnc1C(F)F 68d2a7e35f152d2510e577adb399498f [0,1,0,0,0,0|3,0,0]=4 311 B13R1.572 COCOc1cccnc1N(C)C ed999061eed827a66e7364611bc73592 [0,1,0,0,0,0|2,0,0]=3 312 B13R1.572 COCOc1ccncc1C(C)C a327ccf9c75d0f9e542c78f9745f19ad [0,1,0,0,0,0|3,0,0]=4 313 B13R1.572 COCOc1nccnc1C(=O)N 26db4696a87b330b45b977236b4d9986 [0,1,0,0,0,0|2,0,1]=4 314 B13R1.572 COCOc1nccnc1C(=O)O b00a667c2e2812e4e2d95a00a36e1ab9 [0,1,0,0,0,0|2,0,1]=4 315 B13R1.572 COCOc1nccnc1C(C)C 0b5d75edfa1a21de84492f9282522abe [0,1,0,0,0,0|0,0,0]=1 316 B13R1.572 CSCNc1cccnc1C(C)C bd89d28c3ad3a0e7986114930b3c5c4b [0,1,0,0,0,0|2,0,0]=3 317 B13R1.572 CSCNc1ncccc1C(C)C 0643cc4dce6316fa0b331e446c33b12d [0,1,0,0,0,0|2,0,0]=3 318 B13R1.572 CSCNc1ncccc1N(C)C f03c494b54253aba422862415b32169a [0,1,0,0,0,0|3,0,0]=4 319 B13R1.572 CSCNc1nccnc1C(=O)C 258a8b6fe0edfde6e0f8edd0a9be8b05 [0,1,0,0,0,0|2,0,1]=4 320 B13R1.572 CSCNc1nccnc1C(C)C 44632723864819077e97c2d92e447f11 [0,1,0,0,0,0|1,0,0]=2 321 B13R1.572 CSCNc1nccnc1N(C)C a37a2addbce5654f58970160352b4585 [0,1,0,0,0,0|2,0,0]=3 322 B13R1.572 CSCNc1nnccc1C(C)C aa086ed66e5f7baf9c013681014b0335 [0,1,0,0,0,0|3,0,0]=4 323 B13R1.572 CSCOc1ccccc1C(C)C 130daabaeedbf4006ed4e2bef06558f3 [0,1,0,0,0,0|2,0,0]=3 324 B13R1.572 CSCOc1ccccc1N(C)C e8c2050b72125c640381cfdda59feb7c [0,1,0,0,0,0|3,0,0]=4 325 B13R1.572 CSCOc1cccnc1C(=O)C 694a2cf12ca7d96c772ffe67b6d64d4e [0,1,0,0,0,0|2,0,1]=4 326 B13R1.572 CSCOc1cccnc1C(C)C 6a30cc0384bfdf4966b25f2a238db992 [0,1,0,0,0,0|1,0,0]=2 327 B13R1.572 CSCOc1cccnc1C(F)F 031087fe028c1ce27c5f9099a7d307d2 [0,1,0,0,0,0|3,0,0]=4 328 B13R1.572 CSCOc1cccnc1N(C)C a32e1439ac5e7c80435d77981ff3dcdb [0,1,0,0,0,0|2,0,0]=3 329 B13R1.572 CSCOc1ccncc1C(C)C 97ce3b264700155b65c99400f6c43ee5 [0,1,0,0,0,0|3,0,0]=4 330 B13R1.572 CSCOc1nccnc1C(=O)N 1dc714ad4dd38af9346afa31d1d3efd8 [0,1,0,0,0,0|2,0,1]=4 331 B13R1.572 CSCOc1nccnc1C(=O)O 2e1044c0a4ef13a50252fe7c1f89f08c [0,1,0,0,0,0|2,0,1]=4 332 B13R1.572 CSCOc1nccnc1C(C)C 40f68053062cca8906cf9844f8302f21 [0,1,0,0,0,0|0,0,0]=1 333 B13R1.572 C[C@@H](O)c1cccnc1NCCBr a8b655a3659e2f30e4114d198b8d6582 [0,1,0,0,0,0|3,0,0]=4 334 B13R1.572 C[C@@H](O)c1cccnc1NCCO 0baf0c42a506c71e1c68aab0f7fd781d [0,1,0,0,0,0|3,0,0]=4 335 B13R1.572 C[C@@H](O)c1cccnc1NCCS aa6b0ad3c2005f19e6040893f6e88609 [0,1,0,0,0,0|3,0,0]=4 336 B13R1.572 C[C@H](O)c1ncccc1NCCBr 1d4561630df97b01d3cffa74a5e8c6e1 [0,1,0,0,0,0|3,0,0]=4 337 B13R1.572 C[C@H](O)c1ncccc1NCCS 3a59dab9fe19b23b2527e97dbdd0fab1 [0,1,0,0,0,0|3,0,0]=4 338 B13R1.572 FC(F)c1ncccc1OCCS 412abd9a19f4f0618db27d6c0ae711c9 [0,1,0,0,0,0|3,0,0]=4 339 B13R1.572 FCCOc1cccnc1C(F)F 43bae034b38d71b07d7fc939993f319c [0,1,0,0,0,0|3,0,0]=4 340 B13R1.572 NC(=O)c1nccnc1OCCF 88673b309e1cf181458c526259f45d1d [0,1,0,0,0,0|2,0,1]=4 341 B13R1.572 NC(=O)c1nccnc1OCCS 49df219484172a0d7b5d4e82ae568e76 [0,1,0,0,0,0|2,0,1]=4 342 B13R1.572 O=C(O)c1nccnc1OCCF b3ddc3cb2752c05dd1fd6b8f429278cc [0,1,0,0,0,0|2,0,1]=4 343 B13R1.572 O=C(O)c1nccnc1OCCS 0e66f03cfe14b9b5e16735c4386c9941 [0,1,0,0,0,0|2,0,1]=4 344 B13R1.589 CC(=O)Nc1cccnc1C(C)C ae36370b65f5e5f78aa86cb6285e6ae3 [0,1,0,0,0,0|2,0,1]=4 345 B13R1.589 CC(=O)Nc1ncccc1C(C)C 6c951ab7f6259dce614d73bd775b8d36 [0,1,0,0,0,0|2,0,1]=4 346 B13R1.589 CC(=O)Nc1nccnc1C(C)C be0d1fe40595c44d4e5700557cdcef3e [0,1,0,0,0,0|1,0,1]=3 347 B13R1.589 CC(=O)Nc1nccnc1N(C)C a9a9d0ed04c3a1382fefd503bebe1462 [0,1,0,0,0,0|2,0,1]=4 348 B13R1.589 CC(=O)c1ncccc1OC(C)C d9e2df95ab10e49ba5fe130c694d5b90 [0,1,0,0,0,0|2,0,1]=4 349 B13R1.589 CC(=O)c1nccnc1NC(C)C 2f410ce6e082d0d23f97b475b326ee0a [0,1,0,0,0,0|2,0,1]=4 350 B13R1.589 CC(C)Nc1cccnc1C(C)C 716027da1a553beea18c26443e71d0c5 [0,1,0,0,0,0|2,0,0]=3 351 B13R1.589 CC(C)Nc1ncccc1C(C)C de375fe293567e807d4f9998dffac8e6 [0,1,0,0,0,0|2,0,0]=3 352 B13R1.589 CC(C)Nc1ncccc1N(C)C 3e18d71ac53304e72400ced6971ad8a6 [0,1,0,0,0,0|3,0,0]=4 353 B13R1.589 CC(C)Nc1nccnc1C(C)C 3d8ba764e61eb7ee3ff3d395a7b66d9a [0,1,0,0,0,0|1,0,0]=2 354 B13R1.589 CC(C)Nc1nccnc1N(C)C 6a3e4c88fcecd980cacfa56d9492e99e [0,1,0,0,0,0|2,0,0]=3 355 B13R1.589 CC(C)Nc1nnccc1C(C)C 8730cf4654a1d02a6b10f48b8e9a0f64 [0,1,0,0,0,0|3,0,0]=4 356 B13R1.589 CC(C)Oc1ccccc1C(C)C 5f84bf88b6f90e0a401b39f13d41fbed [0,1,0,0,0,0|2,0,0]=3 357 B13R1.589 CC(C)Oc1ccccc1N(C)C 4579d63b67c64aaee63fded5e8fa3879 [0,1,0,0,0,0|3,0,0]=4 358 B13R1.589 CC(C)Oc1cccnc1C(C)C ba2a12c3eab593cb12c87bbf9861e419 [0,1,0,0,0,0|1,0,0]=2 359 B13R1.589 CC(C)Oc1cccnc1C(F)F a2435bed38bd6aa1bc9d92209e372481 [0,1,0,0,0,0|3,0,0]=4 360 B13R1.589 CC(C)Oc1cccnc1N(C)C fa6ff6faae27dd5196dd42e1ae8460e7 [0,1,0,0,0,0|2,0,0]=3 361 B13R1.589 CC(C)Oc1ccncc1C(C)C 3ff7c626d5a0d41971df8235c1bd4f4a [0,1,0,0,0,0|3,0,0]=4 362 B13R1.589 CC(C)Oc1nccnc1C(=O)N 1cfdb63c78910a892b4b4e2db2451d3d [0,1,0,0,0,0|2,0,1]=4 363 B13R1.589 CC(C)Oc1nccnc1C(=O)O 7e4162018880059577a3dc6f122d586e [0,1,0,0,0,0|2,0,1]=4 364 B13R1.589 CC(C)Oc1nccnc1C(C)C 69ad07b1b5476cc059375cb230b474c5 [0,1,0,0,0,0|0,0,0]=1 365 B13R1.2897 CC(C)c1c(cccc1OCF)F 684483f85fa7d053b40b62fed503783a [0,1,0,0,0,0|3,0,0]=4 366 B13R1.2897 CC(C)c1c(nc[nH]c1=O)OCF 2145963030b7e33318185f6a12af5320 [0,1,0,0,0,0|3,0,0]=4 367 B13R1.2897 CCNc1ncnc(c1C(C)C)Cl 375f5af29dd6e69ece58b442d462806f [0,1,0,0,0,0|3,0,0]=4 368 B13R1.2897 CCOc1cccc(c1C(C)C)F cb0e40bfbaeb584403110f61c0209458 [0,1,0,0,0,0|2,0,0]=3 369 B13R1.2897 CCOc1nc[nH]c(=O)c1C(C)C 551acb92f24e704da1108e8fae3ad9bd [0,1,0,0,0,0|2,0,0]=3 370 B13R1.4012 CC(C)c1cccc(c1OCF)Cl e561bb419946e84f594299b085fca188 [0,1,0,0,0,0|3,0,0]=4 371 B13R1.4012 CC(C)c1nccc(c1NCF)I 36f8242ebe4318ffe5af95a3cdd890d4 [0,1,0,0,0,0|3,0,0]=4 372 B13R1.4012 CC(C)c1nccc(c1NCO)I 08809f96214cb1ddf77e3b73ac56ca8d [0,1,0,0,0,0|3,0,0]=4 373 B13R1.4012 CCNc1c(cccc1C(C)C)C 6c3edfa720a7389bc8ede1ca15b96152 [0,1,0,0,0,0|3,0,0]=4 374 B13R1.4012 CCNc1c(cccc1C(C)C)Cl 15458a3d791cf9067a118ff590f32d3c [0,1,0,0,0,0|3,0,0]=4 375 B13R1.4012 CCNc1c(cccc1C(C)C)F b935037882ce26c4e073fea6d4fad1c9 [0,1,0,0,0,0|3,0,0]=4 376 B13R1.4012 CCNc1c(ccnc1C(C)C)C c3c5b2782cde7e9816212bda02359391 [0,1,0,0,0,0|2,0,0]=3 377 B13R1.4012 CCNc1c(ccnc1C(C)C)I 1ffcc3e4de6b5ff0a7869e663bf74f79 [0,1,0,0,0,0|2,0,0]=3 378 B13R1.4012 CCNc1c(ncnc1C(C)C)C d00ac950e21f7e8877970e99c4b3e2bd [0,1,0,0,0,0|3,0,0]=4 379 B13R1.4012 CCOc1c(cccc1C(C)C)C 3971b7593ec5665a1432619e81e8c58a [0,1,0,0,0,0|2,0,0]=3 380 B13R1.4012 CCOc1c(cccc1C(C)C)Cl 0111a2b1bcf3569cdced33cef2e10b9b [0,1,0,0,0,0|2,0,0]=3 381 B13R1.4012 Cc1cccc(c1OCF)C(C)C cb1dd8405df808690105394e48164e97 [0,1,0,0,0,0|3,0,0]=4 382 B13R1.4012 Cc1ccnc(c1NCF)C(C)C fc860c435adb229f12734644e1e2fd02 [0,1,0,0,0,0|3,0,0]=4 383 B13R1.4012 Cc1ccnc(c1NCO)C(C)C c46ab720d9b04cbd441812f958f7b64f [0,1,0,0,0,0|3,0,0]=4 384 B13R2.268 CCNc1ccccc1C2CC2 5fd84ec796b3fc6c9c999c26fe83062a [0,0,0,1,0,0|3,0,0]=4 385 B13R2.268 CCNc1cccnc1C2CC2 b626bd40b30a0d31f5b1a3bc49799ca1 [0,0,0,1,0,0|2,0,0]=3 386 B13R2.268 CCNc1ncccc1C2CC2 b6f518797cc78b76989eab981c935aee [0,0,0,1,0,0|2,0,0]=3 387 B13R2.268 CCNc1nccnc1C2CC2 53fa8b1f0366ceed1928182bc0eade85 [0,0,0,1,0,0|1,0,0]=2 388 B13R2.268 CCNc1ncncc1C2CC2 3cf310ac4cab4cb806022c719998b5f5 [0,0,0,1,0,0|3,0,0]=4 389 B13R2.268 CCOc1ccccc1C2CC2 2b4b3fa47b4d62c16a1270676254e6a4 [0,0,0,1,0,0|2,0,0]=3 390 B13R2.268 CCOc1cccnc1C2CC2 0a77452d13f46b9db9bcdbd7e3a51fad [0,0,0,1,0,0|1,0,0]=2 391 B13R2.268 FCNc1cccnc1C2CC2 3ba0418b85c5ccc1170cc782f8bd6f0f [0,0,0,1,0,0|3,0,0]=4 392 B13R2.268 FCNc1ncccc1C2CC2 236ff7921f7afdb9e8deb59f149f7459 [0,0,0,1,0,0|3,0,0]=4 393 B13R2.268 FCNc1nccnc1C2CC2 4cd88413fa9889346a56f4425496757a [0,0,0,1,0,0|2,0,0]=3 394 B13R2.268 FCOc1ccccc1C2CC2 172c0dff74de03718682c0b569ed6722 [0,0,0,1,0,0|3,0,0]=4 395 B13R2.268 FCOc1cccnc1C2CC2 a858fffe6bbf295031d792aa7746c8bc [0,0,0,1,0,0|2,0,0]=3 396 B13R2.268 O=CNc1nccnc1C2CC2 3fff5ee8e98814e82dd67c4e3c151358 [0,0,0,1,0,0|2,0,1]=4 397 B13R2.268 OCNc1cccnc1C2CC2 c25efc086f4f3eef2e4d16f73da2306b [0,0,0,1,0,0|3,0,0]=4 398 B13R2.268 OCNc1ncccc1C2CC2 f7d27e06db5183e63d986d84ed68baaa [0,0,0,1,0,0|3,0,0]=4 399 B13R2.268 OCNc1nccnc1C2CC2 0c29b6ffb8c3145a7f12d2d937210d50 [0,0,0,1,0,0|2,0,0]=3 400 B13R2.2931 CCN1CC(c2c1cccc2)C d351fb04ec5866ada32a5fc0ba14af30 [0,0,0,1,0,0|3,0,0]=4 401 B11R1.193 CC(C)c1c[nH]nc1NCF e0b8787d41340b212c3950e21f93b92d [0,0,0,0,1,0|3,0,0]=4 402 B11R1.193 CC(C)c1c[nH]nc1NCO 4a53f721b5e7d4e7f71243c58bea42c5 [0,0,0,0,1,0|3,0,0]=4 403 B11R1.193 CC(C)n1ccnc1NCF 791291dbb45a63ee4d6bcabdcca5979d [0,0,0,0,1,0|3,0,0]=4 404 B11R1.193 CC(C)n1ccnc1NCO a7a3f34cc93cad216c4b33e0c4d97770 [0,0,0,0,1,0|3,0,0]=4 405 B11R1.193 CC(C)n1nccc1NCF b73ce656a3d9f8d5dcb962d3aa086627 [0,0,0,0,1,0|3,0,0]=4 406 B11R1.193 CC(C)n1nccc1NCO 1dca7cf45af263996d5bdd086c07401f [0,0,0,0,1,0|3,0,0]=4 407 B11R1.193 CC(C)n1nccc1OCF be3e6987d0b478c6b8f90c7d76b305c6 [0,0,0,0,1,0|2,0,0]=3 408 B11R1.193 CC(C)n1ncnc1NCF a6659ad09d2163d3b8b3c55a2e0e49b6 [0,0,0,0,1,0|3,0,0]=4 409 B11R1.193 CC(C)n1ncnc1NCO 7543ce95d81c3b128bea485283fe369f [0,0,0,0,1,0|3,0,0]=4 410 B11R1.193 CCNc1ccnn1C(C)C 51d4f1c952b3e29e6d62caa2d9e015c8 [0,0,0,0,1,0|2,0,0]=3 411 B11R1.193 CCNc1n[nH]cc1C(C)C 1a22acd121fbe773654767367c124680 [0,0,0,0,1,0|2,0,0]=3 412 B11R1.193 CCNc1nccn1C(C)C 30d5cd344e0c2c4933ee656f147d0144 [0,0,0,0,1,0|2,0,0]=3 413 B11R1.193 CCNc1ncnn1C(C)C 0ce0abdc4b9ebddcd0204f15da3e861c [0,0,0,0,1,0|2,0,0]=3 414 B11R1.193 CCOc1ccnn1C(C)C 6500cea2e7547cf6c817cf194b3c1189 [0,0,0,0,1,0|1,0,0]=2 415 B11R1.193 CCOc1ccsc1C(=O)C 78c6316a803a61759033f5c1b936826c [0,0,0,0,1,0|2,0,1]=4 416 B13R1.380 CC(C)Cc1nccnc1OCF de42c5c5811b58d52490fb4cac5c8b82 [0,0,0,0,0,1|1,0,0]=2 417 B13R1.380 CC(C)Nc1ncccc1CCO 28790c3a430f981394c240b6b6bd7aa6 [0,0,0,0,0,1|3,0,0]=4 418 B13R1.380 CC(C)Oc1ccccc1OCF 945a6598141f371778334691484a12ba [0,0,0,0,0,1|3,0,0]=4 419 B13R1.380 CC(C)Oc1cccnc1NCF f1433d46c6ee015370742b66b726ead3 [0,0,0,0,0,1|3,0,0]=4 420 B13R1.380 CC(C)Oc1cccnc1NCO 2c90473d476be8de83eb1b173b1cecbc [0,0,0,0,0,1|3,0,0]=4 421 B13R1.380 CC(C)Oc1ncccc1NCF 6d17021a802d9292a67f4313c0eae215 [0,0,0,0,0,1|3,0,0]=4 422 B13R1.380 CC(C)Oc1ncccc1NCO 4066989a672523a9f97e82b47c31b33d [0,0,0,0,0,1|3,0,0]=4 423 B13R1.380 CC(C)Oc1ncccc1OCF dbc6997ff038cb8760da20f17ea5c953 [0,0,0,0,0,1|2,0,0]=3 424 B13R1.380 CCCc1ccccc1NC(C)C a15a68e85f2549490989615748ea3002 [0,0,0,0,0,1|3,0,0]=4 425 B13R1.380 CCCc1ccccc1OC(C)C 4a5587c8d4fc70f28d5c030e9406592c [0,0,0,0,0,1|3,0,0]=4 426 B13R1.380 CCCc1ncccc1OC(C)C 02b6fbc24dfc1f12299235a474547a2a [0,0,0,0,0,1|2,0,0]=3 427 B13R1.380 CCNc1ccccc1CC(C)C 555ebdaf6310346c8d3d1b65e11de889 [0,0,0,0,0,1|3,0,0]=4 428 B13R1.380 CCNc1ccccc1OC(C)C cf88c943ebf603589076ce0038dd39d8 [0,0,0,0,0,1|3,0,0]=4 429 B13R1.380 CCNc1ccccc1SC(C)C 5311029f24504d8b5d90c7570c9eb5cd [0,0,0,0,0,1|3,0,0]=4 430 B13R1.380 CCNc1cccnc1OC(C)C 7e97ca9d61b8daa19459f4a44b703e1e [0,0,0,0,0,1|2,0,0]=3 431 B13R1.380 CCNc1ncccc1OC(C)C af8a343dfaed66f0119d805926cfba45 [0,0,0,0,0,1|2,0,0]=3 432 B13R1.380 CCOc1ccccc1CN(C)C 7fa7432ad80638b8bbfe1cd699dbd8e6 [0,0,0,0,0,1|3,0,0]=4 433 B13R1.380 CCOc1ccccc1OC(C)C 8e8878f6770fd6af9d854a8eede3aa77 [0,0,0,0,0,1|2,0,0]=3 434 B13R1.380 CCOc1cccnc1CN(C)C 57cc4733caec26ae3626cfea91c2a975 [0,0,0,0,0,1|2,0,0]=3 435 B13R1.380 CCOc1cccnc1NC(=O)C 05a0cff10c907608c682a58069821033 [0,0,0,0,0,1|2,0,1]=4 436 B13R1.380 CCOc1cccnc1NC(C)C 69347d15018bb2a60f7e832580180994 [0,0,0,0,0,1|1,0,0]=2 437 B13R1.380 CCOc1cccnc1OC(C)C 5ff4ccb6b2f6e7e1a4dc30dbe5499648 [0,0,0,0,0,1|1,0,0]=2 438 B13R1.380 CCOc1ccncc1NC(C)C ec5bd9d49b560fe80638034bec7a689e [0,0,0,0,0,1|3,0,0]=4 439 B13R1.380 CCOc1cnccc1NC(C)C 053e9e5e76a1d4fb79f53caccde69604 [0,0,0,0,0,1|3,0,0]=4 440 B13R1.380 CCOc1cncnc1NC(C)C 5a9a3ac40a05315657551aea25f0f576 [0,0,0,0,0,1|2,0,0]=3 441 B13R1.380 CCOc1ncccc1NC(=O)C 693bfc3277b2f6ec49bc66225c3771a1 [0,0,0,0,0,1|2,0,1]=4 442 B13R1.380 CCOc1ncccc1NC(C)C 793804140440b91b9f73c56ecc49ff1c [0,0,0,0,0,1|1,0,0]=2 443 B13R1.380 CCOc1ncccc1OC(C)C 1ba1a91491a06907fd1bc51bcedd5d7e [0,0,0,0,0,1|1,0,0]=2 444 B13R1.380 CCOc1nccnc1CC(C)C 79d3d634421ecc7f4564bba36b7dcf3d [0,0,0,0,0,1|0,0,0]=1 445 B13R1.380 CCOc1nccnc1NC(=O)C a3760ec50f89d17a1e221135993cf3a4 [0,0,0,0,0,1|1,0,1]=3 446 B13R1.380 CCOc1nccnc1NC(C)C 59a56646d997ed7486d476a9609bc455 [0,0,0,0,0,1|0,0,0]=1 447 B13R1.380 CCSc1ccccc1OC(C)C 1f0e10099bdad3d5a5048afd0575c729 [0,0,0,0,0,1|2,1,0]=4 448 B13R1.380 CN(C)Cc1ncccc1OCF 757f47add5cd0a62b2787b5de69dfa61 [0,0,0,0,0,1|3,0,0]=4 449 B10R1.4 CCNc1cccnc1C aa29ce1aae1cb0173cce32ed6de53439 [2,0,0,0,0,0|2,0,0]=4 450 B10R1.4 CCNc1ncccc1C a7fd36b27f175706adc74e2aac7526d2 [2,0,0,0,0,0|2,0,0]=4 451 B10R1.4 CCNc1nccnc1Br 2d907f4bd6f02c9cef277fbcf41c453b [2,0,0,0,0,0|2,0,0]=4 452 B10R1.4 CCNc1nccnc1C 3a642966a1abe913b5ad08a3a9152c71 [2,0,0,0,0,0|1,0,0]=3 453 B10R1.4 CCNc1nccnc1Cl e6a9b6e484a84024d5e12240604a943c [2,0,0,0,0,0|2,0,0]=4 454 B10R1.4 CCNc1nccnc1I 4c45ef2dd2308c7078fb2cb28ca195b4 [2,0,0,0,0,0|2,0,0]=4 455 B10R1.4 CCOc1ccccc1C dc9ee1b6b8a241cf6f51757c9fedb385 [2,0,0,0,0,0|2,0,0]=4 456 B10R1.4 CCOc1cccnc1Br 08b45b24e31de1110a9d86520664a434 [2,0,0,0,0,0|2,0,0]=4 457 B10R1.4 CCOc1cccnc1C 0260c4935677d055d800178e37d974b6 [2,0,0,0,0,0|1,0,0]=3 458 B10R1.4 CCOc1cccnc1Cl 684709ad9eeb4a1f4f9e4a19760d89be [2,0,0,0,0,0|2,0,0]=4 459 B10R1.4 CCOc1cccnc1F eb46cca158e1b62d818714a01a5af0f3 [2,0,0,0,0,0|2,0,0]=4 460 B10R1.4 CCOc1cccnc1I 792b0a09e935918385422ce79b947b91 [2,0,0,0,0,0|2,0,0]=4 461 B10R1.4 CCOc1cncnc1C ae58a7be391f847fd7fcfb6c7cbd61b8 [2,0,0,0,0,0|2,0,0]=4 462 B10R1.4 CCOc1ncccc1Br f4383148a14f49cafea4eeb34cba2f7d [2,0,0,0,0,0|2,0,0]=4 463 B10R1.4 CCOc1ncccc1C e8543da7a575b70db65e7933cc01e850 [2,0,0,0,0,0|1,0,0]=3 464 B10R1.4 CCOc1ncccc1Cl 4590ed1a2376b9070dd9165912ca6275 [2,0,0,0,0,0|2,0,0]=4 465 B10R1.4 CCOc1ncccc1F a8635691cfd51eb96b174213d32b56ee [2,0,0,0,0,0|2,0,0]=4 466 B10R1.4 CCOc1nccnc1Br e4d444716c2ebf53c1141d98c73fd09e [2,0,0,0,0,0|1,0,0]=3 467 B10R1.4 CCOc1nccnc1C 51150a087141b1b997c624a726b47861 [2,0,0,0,0,0|0,0,0]=2 468 B10R1.4 CCOc1ncncc1C a024efe8fb00db7ba69958a60fccd3f1 [2,0,0,0,0,0|2,0,0]=4 469 B10R1.4 CCOc1nnccc1C c18a8624109f039b80ba9ad6e855516b [2,0,0,0,0,0|2,0,0]=4 470 B10R1.4 Cc1cccnc1OCF 5dd471f10667f5296180df2f634c17da [2,0,0,0,0,0|2,0,0]=4 471 B10R1.4 Cc1ncccc1OCF 5bc55fc04a01d4a91e7fbd84fd947089 [2,0,0,0,0,0|2,0,0]=4 472 B10R1.4 Cc1nccnc1NCF 75f59e3232eacc54a7d91ec4a824414b [2,0,0,0,0,0|2,0,0]=4 473 B10R1.4 Cc1nccnc1NCO b7efb285f742fc426f6d2f93fedaca5c [2,0,0,0,0,0|2,0,0]=4 474 B10R1.4 Cc1nccnc1OCF 63364eacb2362dc6d4479f9c92ad80c8 [2,0,0,0,0,0|1,0,0]=3 475 B10R1.4 FCOc1nccnc1Br c9ce18167d32936c5a4e3ee5e5ce276f [2,0,0,0,0,0|2,0,0]=4 476 B12R1.75 CC(C)Nc1nccnc1CO 42a6d31fa57d49bbf4b11e1fa004ee77 [1,1,0,0,0,0|2,0,0]=4 477 B12R1.75 CCc1ccccc1OC(C)C b797575d38ba5b9ee07e898e057c7852 [1,1,0,0,0,0|2,0,0]=4 478 B12R1.75 CCc1cccnc1NC(C)C 074962f612db0044f1abd620b23f2388 [1,1,0,0,0,0|2,0,0]=4 479 B12R1.75 CCc1cccnc1OC(C)C 5fee549730a9ae72f772ded465cf00c6 [1,1,0,0,0,0|1,0,0]=3 480 B12R1.75 CCc1cncnc1OC(C)C 011e6c2d3d8080719bd0a9e61f0a99a1 [1,1,0,0,0,0|2,0,0]=4 481 B12R1.75 CCc1ncccc1NC(C)C 83f2eec9fb1c0ceeec7d68093d60d070 [1,1,0,0,0,0|2,0,0]=4 482 B12R1.75 CCc1ncccc1OC(C)C d4e97828ffb2811afa6c085ad0b3400b [1,1,0,0,0,0|1,0,0]=3 483 B12R1.75 CCc1nccnc1NC(=O)C aca6bb077ee21512de5bfdea49becf9f [1,1,0,0,0,0|1,0,1]=4 484 B12R1.75 CCc1nccnc1NC(C)C 77e2a813d30daf392e99d63a90c143c7 [1,1,0,0,0,0|1,0,0]=3 485 B12R1.75 COc1ncccc1OC(C)C d220caab44ed1eb3251ca98e513c4975 [1,1,0,0,0,0|2,0,0]=4 486 B12R1.75 COc1nccnc1NC(C)C 655de8cc36421b1edfe8c7c37440c49c [1,1,0,0,0,0|2,0,0]=4 487 B12R1.77 CCN(C)c1nccnc1CO 140fc7e48e4cee90b9c1454ce4e13f81 [1,1,0,0,0,0|2,0,0]=4 488 B12R1.77 CCc1ncccc1N(C)CC 653cd43ab9c1eef899745ca4206babae [1,1,0,0,0,0|2,0,0]=4 489 B12R1.77 CCc1nccnc1N(C)CC f7a0025455947edd00b86996888de5b4 [1,1,0,0,0,0|1,0,0]=3 490 B12R1.112 CCNc1ccc(nc1CC)Cl 5b38e719abbe566e483c0ce268dfdbf1 [1,1,0,0,0,0|2,0,0]=4 491 B12R1.112 CCNc1ncc(cc1CC)Br 49bfe651d0fd3c5a30e70ffdabf7fdaf [1,1,0,0,0,0|2,0,0]=4 492 B12R1.112 CCNc1ncc(nc1CO)Br 25238b58c5eac697652e8eefc0da9b32 [1,1,0,0,0,0|2,0,0]=4 493 B12R1.112 CCNc1ncc(nc1CO)Cl 8c1bab212790e4fc4a88223a69078ee0 [1,1,0,0,0,0|2,0,0]=4 494 B12R1.112 CCNc1ncc(nc1OC)Br cf2cf894778c93c8dc74c9ec3bc444fe [1,1,0,0,0,0|2,0,0]=4 495 B12R1.112 CCNc1ncc(nc1OC)C af8db600eb6621eb19e4252a0daa0e1b [1,1,0,0,0,0|2,0,0]=4 496 B12R1.112 CCNc1ncc(nc1OC)Cl 0c292e599511f5a7f4372f40695bcec6 [1,1,0,0,0,0|2,0,0]=4 497 B12R1.112 CCNc1ncc(nc1SC)Br 2bb641bf9e1ba0384701aa2a640580ce [1,1,0,0,0,0|2,0,0]=4 498 B12R1.112 CCOc1ccc(cc1CC)Br 0e9ff406c0ad2e2f88e439bed7e72640 [1,1,0,0,0,0|2,0,0]=4 499 B12R1.112 CCOc1ccc(cc1CC)C 8b31132990056c83a1c4737b2641c195 [1,1,0,0,0,0|2,0,0]=4 500 B12R1.112 CCOc1ccc(cc1CC)Cl e8874d0cc9e3deb05d50ecdf2a6d7a72 [1,1,0,0,0,0|2,0,0]=4 501 B12R1.112 CCOc1ccc(cc1CC)F 30d982422d5414c288e4da947cbf5bfc [1,1,0,0,0,0|2,0,0]=4 502 B12R1.112 CCOc1ccc(nc1CC)C 282ead4d0e721ea237671aca94f6cbcf [1,1,0,0,0,0|1,0,0]=3 503 B12R1.112 CCOc1ccc(nc1OC)Br 8b81df910fc672b620e15bae96f3d51f [1,1,0,0,0,0|2,0,0]=4 504 B12R1.112 CCOc1ccc(nc1OC)C 6bbeb2683b101d30f35b938ddc71fc55 [1,1,0,0,0,0|2,0,0]=4 505 B12R1.112 CCOc1ccc(nc1OC)Cl d197bc8d6a953f444b88fffd82a39fa9 [1,1,0,0,0,0|2,0,0]=4 506 B12R1.112 CCOc1ncc(cc1OC)Cl 4842faefa0696a9ab587def4eca56c42 [1,1,0,0,0,0|2,0,0]=4 507 B12R1.112 CCOc1ncc(cc1SC)Br 6f93145a830251e90936132d6e482d8e [1,1,0,0,0,0|2,0,0]=4 508 B12R1.112 CCOc1ncc(nc1OC)Br 7fca5576ac4523afd0cf863fd9055504 [1,1,0,0,0,0|1,0,0]=3 509 B12R1.112 CCOc1ncc(nc1OC)Cl 56ba11e1ce463b131656d125f5a8b672 [1,1,0,0,0,0|1,0,0]=3 510 B12R1.112 CCc1nc(ccc1OCF)C 510607de1d1b06b9932a19a5849defca [1,1,0,0,0,0|2,0,0]=4 511 B12R1.112 COc1nc(cnc1OCF)Br 84fca1feaa4ed6a33c497955a336b64b [1,1,0,0,0,0|2,0,0]=4 512 B12R1.112 COc1nc(cnc1OCF)Cl b860749597590e1a3bad4176e4ef1fe5 [1,1,0,0,0,0|2,0,0]=4 513 B12R1.121 C#CCNc1nccnc1CC 138dec2365047379010c15566bb86947 [1,1,0,0,0,0|1,0,1]=4 514 B12R1.121 C#CCOc1cccnc1CC 9567aec3e1ef714878d6cf7eaf85438d [1,1,0,0,0,0|1,0,1]=4 515 B12R1.121 C#CCOc1ncccc1CC 1dd19a7609aca024ba7843f08795ac86 [1,1,0,0,0,0|1,0,1]=4 516 B12R1.121 C=CCNc1nccnc1CC 80fc82d02602aee4db8b24e836c7a85b [1,1,0,0,0,0|1,0,1]=4 517 B12R1.121 C=CCOc1cccnc1CC 9173033b825988649f63cb62c5179416 [1,1,0,0,0,0|1,0,1]=4 518 B12R1.121 C=CCOc1ncccc1CC cb39ab0b169e174b6d45cde5df414040 [1,1,0,0,0,0|1,0,1]=4 519 B12R1.121 CCCNc1cccnc1CC 3d7cfd41b627800dcce5e6b5a88e4b7e [1,1,0,0,0,0|2,0,0]=4 520 B12R1.121 CCCNc1ncccc1CC 6c9f60e460e15122d205303802776a15 [1,1,0,0,0,0|2,0,0]=4 521 B12R1.121 CCCNc1nccnc1CC e68fa4eb55ac3cb7c12f825b4082b7f3 [1,1,0,0,0,0|1,0,0]=3 522 B12R1.121 CCCNc1nccnc1CO 68b35d38447144223a1bf90f411390ee [1,1,0,0,0,0|2,0,0]=4 523 B12R1.121 CCCNc1nccnc1OC 1d984d7945dc307336234743412ee98b [1,1,0,0,0,0|2,0,0]=4 524 B12R1.121 CCCOc1ccccc1CC 0fb4b6e8cb3dd80fa6a8ce889b16416b [1,1,0,0,0,0|2,0,0]=4 525 B12R1.121 CCCOc1cccnc1CC d8ea2d9e700669e2a4878e230a202139 [1,1,0,0,0,0|1,0,0]=3 526 B12R1.121 CCCOc1cccnc1OC 04a517472f992f19d6bc27b6350d8e38 [1,1,0,0,0,0|2,0,0]=4 527 B12R1.121 CCCOc1ncccc1CC fe5d7fa305de70a99693cd3c2a5bb267 [1,1,0,0,0,0|1,0,0]=3 528 B12R1.121 CCCOc1ncncc1CC 68af463401872fcafb2adb62f65ac4ef [1,1,0,0,0,0|2,0,0]=4 529 B12R1.121 CCNCc1nccnc1OC c8841ff4754d9c2ac0819af3204d85eb [1,1,0,0,0,0|2,0,0]=4 530 B12R1.121 CCOCc1ccccc1CC aae357a9f1ec25325b62c78eca4b1963 [1,1,0,0,0,0|2,0,0]=4 531 B12R1.121 CCOCc1cccnc1OC fdcd67ffcb8fc11c0a0df352d9689301 [1,1,0,0,0,0|2,0,0]=4 532 B12R1.121 CCOCc1ncccc1OC 6b02cf9c95c4359a10c9e24c3bf6ec89 [1,1,0,0,0,0|2,0,0]=4 533 B12R1.121 CCOCc1ncccc1SC 7c5ae5b37d461dc7900dab3a7a5792dd [1,1,0,0,0,0|2,0,0]=4 534 B12R1.121 CCOCc1nccnc1OC cb86fc8e7734aad3171fe1f71592075f [1,1,0,0,0,0|1,0,0]=3 535 B12R1.121 CCc1ccccc1OCCF 5e0b23e59a8e77c1d232b20601cc9a53 [1,1,0,0,0,0|2,0,0]=4 536 B12R1.121 CCc1ccccc1OCCS b9fb2c7fcb11b63a00396449bae4fae7 [1,1,0,0,0,0|2,0,0]=4 537 B12R1.121 CCc1ccccc1OCSC 83fd1085b2fcaac32032fa7856c32ad2 [1,1,0,0,0,0|2,0,0]=4 538 B12R1.121 CCc1cccnc1NCCBr ac7112c34d57fade5e46b6483b2f4956 [1,1,0,0,0,0|2,0,0]=4 539 B12R1.121 CCc1cccnc1NCCF 9349372025d0cd226a2484cac1851f8d [1,1,0,0,0,0|2,0,0]=4 540 B12R1.121 CCc1cccnc1NCCO 12a9cda249f9d67b04721097921fcc60 [1,1,0,0,0,0|2,0,0]=4 541 B12R1.121 CCc1cccnc1NCCS ab5c7d4b283c95f0c84efcc8e85f1e2f [1,1,0,0,0,0|2,0,0]=4 542 B12R1.121 CCc1cccnc1NCOC d5aa6b7ed43d7dd5d48322529087e3b1 [1,1,0,0,0,0|2,0,0]=4 543 B12R1.121 CCc1cccnc1NCSC 71f6829f10361e2a5ffe3d042641915d [1,1,0,0,0,0|2,0,0]=4 544 B12R1.121 CCc1cccnc1OCC#N b2eac9520fea3ec9844214bbc0c4ac35 [1,1,0,0,0,0|1,0,1]=4 545 B12R1.121 CCc1cccnc1OCC=O 26651c6be7121c3d45cfe0fb394ab38a [1,1,0,0,0,0|1,0,1]=4 546 B12R1.121 CCc1cccnc1OCCF 6ad57500af7875c268cb10fce1b4d018 [1,1,0,0,0,0|1,0,0]=3 547 B12R1.121 CCc1cccnc1OCCS 57ba8af42e9b8c458422b4918a241a2d [1,1,0,0,0,0|1,0,0]=3 548 B12R1.121 CCc1cccnc1OCOC 49f6dc498a769287c039503c57e98d2e [1,1,0,0,0,0|1,0,0]=3 549 B12R1.121 CCc1cccnc1OCSC a1085395f29b0fa3c283ea0da3b45e0d [1,1,0,0,0,0|1,0,0]=3 550 B12R1.121 CCc1cncnc1OCCF e80bb7d32b062c6b2344e473ec56a071 [1,1,0,0,0,0|2,0,0]=4 551 B12R1.121 CCc1cncnc1OCCS 9aecc04138bcca90686caf7dde963e5b [1,1,0,0,0,0|2,0,0]=4 552 B12R1.121 CCc1cncnc1OCOC d44d287d1ba30e517eadca8c6899a3f3 [1,1,0,0,0,0|2,0,0]=4 553 B12R1.121 CCc1cncnc1OCSC ceb3f9adf537c25dab9f50861bf9fe34 [1,1,0,0,0,0|2,0,0]=4 554 B12R1.121 CCc1ncccc1NCCF 7ac03bc34f0ead1c4e8c44d53a2a2470 [1,1,0,0,0,0|2,0,0]=4 555 B12R1.121 CCc1ncccc1NCCO f10b9071826cb9a6d4744e196b1b9752 [1,1,0,0,0,0|2,0,0]=4 556 B12R1.121 CCc1ncccc1NCCS 1a23a465541b752be797319baa2be7bc [1,1,0,0,0,0|2,0,0]=4 557 B12R1.121 CCc1ncccc1NCOC 75f629f3e574040796ba62ffab211c1e [1,1,0,0,0,0|2,0,0]=4 558 B12R1.121 CCc1ncccc1NCSC 7abd0257b6569db67f48a7a38dc01258 [1,1,0,0,0,0|2,0,0]=4 559 B12R1.121 CCc1ncccc1OCC#N 77321b840c96fb941cf26117de925453 [1,1,0,0,0,0|1,0,1]=4 560 B12R1.121 CCc1ncccc1OCC=O d6aeab300326c687550621a6aa604f3d [1,1,0,0,0,0|1,0,1]=4 561 B12R1.121 CCc1ncccc1OCCF 3462916c8ad208756f08b16edc65a500 [1,1,0,0,0,0|1,0,0]=3 562 B12R1.121 CCc1ncccc1OCCS 9a5452b4fdd0b9d39f7e9b6608740fd0 [1,1,0,0,0,0|1,0,0]=3 563 B12R1.121 CCc1ncccc1OCOC 1c9c7148361ca1346dac1bb893b875cf [1,1,0,0,0,0|1,0,0]=3 564 B12R1.121 CCc1ncccc1OCSC b8fbca740fb054abdc98b2d8c10c8a5d [1,1,0,0,0,0|1,0,0]=3 565 B12R1.121 CCc1nccnc1NCC#N d160eb94be40aa58b98a9d2dee5ce819 [1,1,0,0,0,0|1,0,1]=4 566 B12R1.121 CCc1nccnc1NCC=O 7594080f3efc91e7c9986752a63c45ce [1,1,0,0,0,0|1,0,1]=4 567 B12R1.121 CCc1nccnc1NCCBr 31c9e0827dbcd4b1d2d19632a1cd5485 [1,1,0,0,0,0|1,0,0]=3 568 B12R1.121 CCc1nccnc1NCCF aa54de33f2c7ba68a8a4de07ce0b2495 [1,1,0,0,0,0|1,0,0]=3 569 B12R1.121 CCc1nccnc1NCCI 4dc64372502b45b2df70c16513903e8a [1,1,0,0,0,0|1,0,0]=3 570 B12R1.121 CCc1nccnc1NCCO 6dec168927f091a6d85befb51fddf3bf [1,1,0,0,0,0|1,0,0]=3 571 B12R1.121 CCc1nccnc1NCCS 6874466f7bc11c81f93cce21a4f6f2da [1,1,0,0,0,0|1,0,0]=3 572 B12R1.121 CCc1nccnc1NCOC de5f13b766e7bc7be3bd0cdcccd5da86 [1,1,0,0,0,0|1,0,0]=3 573 B12R1.121 CCc1nccnc1NCSC 45684caae4b8ec81d4761c91503c7f91 [1,1,0,0,0,0|1,0,0]=3 574 B12R1.121 COCNc1nccnc1CO a46ec49006840077b6015033217104c2 [1,1,0,0,0,0|2,0,0]=4 575 B12R1.121 COCNc1nccnc1OC 1f1a64623b12055e62465a28751bd9d6 [1,1,0,0,0,0|2,0,0]=4 576 B12R1.121 COCOc1cccnc1OC d9500e1bb2540be94bf709bf7a993b98 [1,1,0,0,0,0|2,0,0]=4 577 B12R1.121 COc1ncccc1OCCF 8d61f04fe0a13f12bdaa6ed88853f0f8 [1,1,0,0,0,0|2,0,0]=4 578 B12R1.121 COc1ncccc1OCCS 6e0c85bcd6ed78e174ad4e6c5919c502 [1,1,0,0,0,0|2,0,0]=4 579 B12R1.121 COc1ncccc1OCSC adb3643b7740dcc463f83683d34de3ac [1,1,0,0,0,0|2,0,0]=4 580 B12R1.121 COc1nccnc1COCF 1dc63c3ca883c1dac8c8ab0c0ab633f5 [1,1,0,0,0,0|2,0,0]=4 581 B12R1.121 COc1nccnc1NCCF faa61dfe974d3ff904d32e60dd7f07dc [1,1,0,0,0,0|2,0,0]=4 582 B12R1.121 COc1nccnc1NCCO 37320a9d31df44d00831b3c0175ce3ed [1,1,0,0,0,0|2,0,0]=4 583 B12R1.121 COc1nccnc1NCCS ad32899da6489eb852382cbbfa1baf79 [1,1,0,0,0,0|2,0,0]=4 584 B12R1.121 COc1nccnc1NCSC 7c8153f03c478418c454069f3a8b3268 [1,1,0,0,0,0|2,0,0]=4 585 B12R1.121 CSCNc1nccnc1CO 6d0b043f559df38723219f30717c40b7 [1,1,0,0,0,0|2,0,0]=4 586 B12R1.121 OCCNc1nccnc1CO eb55ec68be4da5b33f9a994b48e2b609 [1,1,0,0,0,0|2,0,0]=4 587 B12R1.121 OCc1nccnc1NCCBr a158ef03afc957ce61f4849e3c71ad5a [1,1,0,0,0,0|2,0,0]=4 588 B12R1.121 OCc1nccnc1NCCF 9532f0a54016ad59fccc0a658af7d1e8 [1,1,0,0,0,0|2,0,0]=4 589 B12R1.121 OCc1nccnc1NCCI 75d13b8236628f044a0bf29396c2dc50 [1,1,0,0,0,0|2,0,0]=4 590 B12R1.121 OCc1nccnc1NCCS 6552f6c0e7679d3baec0b2f5cef01c8e [1,1,0,0,0,0|2,0,0]=4 591 B12R1.169 CCCc1ccccc1OCC 0c51353843a67f92765b9753c74a7d56 [1,1,0,0,0,0|2,0,0]=4 592 B12R1.169 CCCc1ncccc1OCC 1a8197f3a2e8bef80e7aafed476e6770 [1,1,0,0,0,0|1,0,0]=3 593 B12R1.169 CCCc1ncccc1OCF 524e730ca7445623c2ac752e70d45ecc [1,1,0,0,0,0|2,0,0]=4 594 B12R1.169 CCNc1ccccc1OCC 7013a76d7fe32d0db81451f52e4aca4b [1,1,0,0,0,0|2,0,0]=4 595 B12R1.169 CCNc1cccnc1OCC 8404bbf46225309448251facb5793c49 [1,1,0,0,0,0|1,0,0]=3 596 B12R1.169 CCNc1ncccc1CCO dc8d673a74c84e349f009d0d2067b4ec [1,1,0,0,0,0|2,0,0]=4 597 B12R1.169 CCNc1ncccc1OCC aef4fdad836544f3db670bea3d5ef06d [1,1,0,0,0,0|1,0,0]=3 598 B12R1.169 CCNc1nccnc1OCC e9b580193dd8d340ee9523b1950e8032 [1,1,0,0,0,0|0,0,0]=2 599 B12R1.169 CCNc1ncncc1OCC c793f7c02e7c3bfd2a89ff9baad185e0 [1,1,0,0,0,0|2,0,0]=4 600 B12R1.169 CCOc1ccccc1COC be2316702a410d9188c4af345b824343 [1,1,0,0,0,0|2,0,0]=4 601 B12R1.169 CCOc1ccccc1CSC 05e4ee7b43080569f25ad979c6783e8a [1,1,0,0,0,0|2,0,0]=4 602 B12R1.169 CCOc1ccccc1OCC d9f7a91f46ee83059e52140d7976de21 [1,1,0,0,0,0|2,0,0]=4 603 B12R1.169 CCOc1ccccc1SCC 0ff17b45dec8453feecef222ca791b7d [1,1,0,0,0,0|2,0,0]=4 604 B12R1.169 CCOc1cccnc1NCF 10122820dea3ff39da1c8ea9b6526a1f [1,1,0,0,0,0|2,0,0]=4 605 B12R1.169 CCOc1cccnc1NCO 0a023e0554668f58e4d5fe3c68d6c54e [1,1,0,0,0,0|2,0,0]=4 606 B12R1.169 CCOc1cccnc1OCC 8f10359d85ad9d6af90e1a5ec53ad4ec [1,1,0,0,0,0|1,0,0]=3 607 B12R1.169 CCOc1ncccc1NCF 0085c81e7e29c107d34097d79506338f [1,1,0,0,0,0|2,0,0]=4 608 B12R1.169 CCOc1ncccc1NCO c3d1547ac8bb53dc8510c0b2ea4a6ff7 [1,1,0,0,0,0|2,0,0]=4 609 B12R1.169 CCOc1ncccc1OCF 8206bb330362f6f50e423eee7f5b204c [1,1,0,0,0,0|2,0,0]=4 610 B12R1.169 CCOc1nccnc1NC=O d14b2385db2ef22ad4d8494a586c6376 [1,1,0,0,0,0|1,0,1]=4 611 B12R1.169 CCOc1nccnc1NCF 690758dead6265af2cdacf83a2b92277 [1,1,0,0,0,0|1,0,0]=3 612 B12R1.169 CCOc1nccnc1NCO 7951548b1510dd805ab6e8d801c68311 [1,1,0,0,0,0|1,0,0]=3 613 B12R1.268 CCNc1cc(cnc1CC)Br 2e12e73ab34b652b8b841e3182f59b40 [1,1,0,0,0,0|2,0,0]=4 614 B12R1.268 CCNc1nc(ccc1CC)C 62817b3d0b9629ccabd1fe8b2f481b2f [1,1,0,0,0,0|2,0,0]=4 615 B12R1.268 CCNc1nc(cnc1OC)Cl 82f573e12a02c23999cbf0e2d443fe70 [1,1,0,0,0,0|2,0,0]=4 616 B12R1.268 CCOc1cc(ccc1CC)Br 39f6fe5fd2b99e16ae481a0b98f7f6eb [1,1,0,0,0,0|2,0,0]=4 617 B12R1.268 CCOc1cc(ccc1CC)C d9275bba9af5dce7e38a40948cc95a55 [1,1,0,0,0,0|2,0,0]=4 618 B12R1.268 CCOc1cc(cnc1OC)Br 7caa1b8f441f6e7d20e78fa22f9743ce [1,1,0,0,0,0|2,0,0]=4 619 B12R1.268 CCOc1cc(cnc1OC)C ed8e68887a8222800bc708b310dff46f [1,1,0,0,0,0|2,0,0]=4 620 B12R1.268 CCOc1cc(cnc1OC)Cl 21e840d6bbf5e5c5d0b239667832f184 [1,1,0,0,0,0|2,0,0]=4 621 B12R1.268 CCOc1cc(cnc1OC)F 3008d6545f0b8072dabe38cc14505adf [1,1,0,0,0,0|2,0,0]=4 622 B12R1.542 CCOc1cccc(c1CC)Cl 10f882aad66515561d66cc7700fc94f7 [1,1,0,0,0,0|2,0,0]=4 623 B12R1.1112 CCNc1c(ccnc1CC)C ae756b4f30f019fb4e06aadd1aaa731a [1,1,0,0,0,0|2,0,0]=4 624 B12R1.1112 CCOc1c(cccc1CC)Br 062942e852ebff9bed736ae2eac4f6e9 [1,1,0,0,0,0|2,0,0]=4 625 B12R1.1112 CCOc1c(cccc1CC)C eb4937b8d908671e2163bc0bff8f17a4 [1,1,0,0,0,0|2,0,0]=4 626 B12R1.1112 CCOc1c(ccnc1OC)C 74126e8a195ce4a393c4f24f853e9bfd [1,1,0,0,0,0|2,0,0]=4 627 B12R1.1112 CCOc1c(occc1=O)CC ba2adcf29a49aed5af38b6be12fb99e1 [1,1,0,0,0,0|2,0,0]=4 628 B12R1.181 CCOc1nnc(n1C(C)C)S 7e5dd8b2a84174254a9c7b6f89b4a8dd [0,1,0,0,1,0|2,0,0]=4 629 B12R1.276 CCNc1cc(nn1C(C)C)C d6475579514a9ff3373e6699dbea4879 [0,1,0,0,1,0|2,0,0]=4 630 B12R1.290 CCNc1ccnn1C(C)(C)C 9a6e0e928198b036e19bf0e522ffa319 [0,1,0,0,1,0|2,0,0]=4 631 B12R1.290 CCNc1n[nH]cc1C(C)(C)C edf8df9e73dd714079fee49704536538 [0,1,0,0,1,0|2,0,0]=4 632 B12R1.291 CCNc1ccnn1C(C)CC 6100b538976fe7ab3369e141efb97dd7 [0,1,0,0,1,0|2,0,0]=4 633 B12R1.386 C#CCOc1ccnn1C(C)C 0cf849eb6d07438536e76a9be051e9d6 [0,1,0,0,1,0|1,0,1]=4 634 B12R1.386 C=CCOc1ccnn1C(C)C e10dfd87d46350f88c6e88dcdb94c36b [0,1,0,0,1,0|1,0,1]=4 635 B12R1.386 CC(C)c1c[nH]nc1NCCF 71d979d6472a075de1f3f70f049d49ef [0,1,0,0,1,0|2,0,0]=4 636 B12R1.386 CC(C)c1c[nH]nc1NCCO 97f9f17d75f68f50756c0e90a7ddc9d2 [0,1,0,0,1,0|2,0,0]=4 637 B12R1.386 CC(C)c1c[nH]nc1NCCS 34c7f0e7f4f725555190e1eafcfdcadf [0,1,0,0,1,0|2,0,0]=4 638 B12R1.386 CC(C)c1ncsc1NCCS fd99bfbf376886e1cc939704baa61ca7 [0,1,0,0,1,0|2,0,0]=4 639 B12R1.386 CC(C)c1ocnc1COCF 0f79d005de331dd32f5a0996321b82d4 [0,1,0,0,1,0|2,0,0]=4 640 B12R1.386 CC(C)n1ccnc1COCF ea7de0fd904c1b286ecc553a75b99424 [0,1,0,0,1,0|2,0,0]=4 641 B12R1.386 CC(C)n1ccnc1NCCBr 3283d109eb3da222c9981fd22139f0e1 [0,1,0,0,1,0|2,0,0]=4 642 B12R1.386 CC(C)n1ccnc1NCCF 97762f6da9536dbf92acf5205de6edfd [0,1,0,0,1,0|2,0,0]=4 643 B12R1.386 CC(C)n1ccnc1NCCI 2ea7cb298cdb2272490c3d6ef6394b88 [0,1,0,0,1,0|2,0,0]=4 644 B12R1.386 CC(C)n1ccnc1NCCO 5a7d8b7c390505749cdc845a2d7200c8 [0,1,0,0,1,0|2,0,0]=4 645 B12R1.386 CC(C)n1ccnc1NCCS fa04a50ae9b54c6dc66be2cb167f1b3c [0,1,0,0,1,0|2,0,0]=4 646 B12R1.386 CC(C)n1nccc1COCF 47c9f545d22dc6ad57680ae05868c858 [0,1,0,0,1,0|2,0,0]=4 647 B12R1.386 CC(C)n1nccc1NCCF 4f3d44b7459cf1bfe88869738cd82d88 [0,1,0,0,1,0|2,0,0]=4 648 B12R1.386 CC(C)n1nccc1NCCO 6addf1905dbf539745b13f45ebeca9ce [0,1,0,0,1,0|2,0,0]=4 649 B12R1.386 CC(C)n1nccc1NCCS 64addcf88aabc5fff8b1f3f6938dff6d [0,1,0,0,1,0|2,0,0]=4 650 B12R1.386 CC(C)n1nccc1OCC#N d99d93df4c303da96ee73b109cacc01e [0,1,0,0,1,0|1,0,1]=4 651 B12R1.386 CC(C)n1nccc1OCC=O 524e1b003ef2c3733efbf16b1e03bf69 [0,1,0,0,1,0|1,0,1]=4 652 B12R1.386 CC(C)n1nccc1OCCF 55e1a0788d302cb20647735f32109592 [0,1,0,0,1,0|1,0,0]=3 653 B12R1.386 CC(C)n1nccc1OCCS 532b76bb5355430b4175144341ed6f31 [0,1,0,0,1,0|1,0,0]=3 654 B12R1.386 CC(C)n1ncnc1NCCF 14104e23e3653a8a8ba0993baca986fa [0,1,0,0,1,0|2,0,0]=4 655 B12R1.386 CC(C)n1ncnc1NCCO 27b8568a3892f00a0f99b4189033bf37 [0,1,0,0,1,0|2,0,0]=4 656 B12R1.386 CC(C)n1ncnc1NCCS 0862b14dba9d2256c4b22360967a42c5 [0,1,0,0,1,0|2,0,0]=4 657 B12R1.386 CCCNc1ccnn1C(C)C 52cdd6af21d360126c41694f14424ead [0,1,0,0,1,0|2,0,0]=4 658 B12R1.386 CCCNc1n[nH]cc1C(C)C 907b8592f301596a736145876546cbce [0,1,0,0,1,0|2,0,0]=4 659 B12R1.386 CCCNc1nccn1C(C)C af4dc792e80bb0a28f9dacda5536c530 [0,1,0,0,1,0|2,0,0]=4 660 B12R1.386 CCCNc1ncnn1C(C)C 0da5f5af0f874fc3e8baa84666023681 [0,1,0,0,1,0|2,0,0]=4 661 B12R1.386 CCCOc1ccnn1C(C)C ef4b725c518029560c1bfadc1e98e773 [0,1,0,0,1,0|1,0,0]=3 662 B12R1.386 CCNCc1nccn1C(C)C e5b3baf687d5d385123c40ef389a3efe [0,1,0,0,1,0|2,0,0]=4 663 B12R1.386 CCOCc1ccnn1C(C)C 49b3ceaddc9fb03e94d377f927327361 [0,1,0,0,1,0|1,0,0]=3 664 B12R1.386 CCOCc1nccn1C(C)C 8c448f7dfd636414c62669396e42fd84 [0,1,0,0,1,0|1,0,0]=3 665 B12R1.386 CCOCc1ncoc1C(C)C 061ffdc6cccd8bf01bf1951a76529b50 [0,1,0,0,1,0|1,0,0]=3 666 B12R1.386 CCOCc1nncn1C(C)C 56ff629034107ad8130fe3f50fedddde [0,1,0,0,1,0|2,0,0]=4 667 B12R1.386 CCOCc1snnc1C(C)C 88a3e484595e66bccb365e7247e75c73 [0,1,0,0,1,0|2,0,0]=4 668 B12R1.386 COCNc1ccnn1C(C)C 3a8d7e2f854e928a596af3410cb8d9ac [0,1,0,0,1,0|2,0,0]=4 669 B12R1.386 COCNc1n[nH]cc1C(C)C e407e264bfddb9d1ca1699633ed77f49 [0,1,0,0,1,0|2,0,0]=4 670 B12R1.386 COCNc1nccn1C(C)C 6bb936eefde9c0c2eae7980008cbca15 [0,1,0,0,1,0|2,0,0]=4 671 B12R1.386 COCNc1ncnn1C(C)C 6d47282eb4eddf757d1d7c4a8dacaf81 [0,1,0,0,1,0|2,0,0]=4 672 B12R1.386 COCOc1ccnn1C(C)C 5393a409c3e28563904c7030372157b5 [0,1,0,0,1,0|1,0,0]=3 673 B12R1.386 CSCNc1ccnn1C(C)C bc858a6dc45a732cae40630c4c21f8ec [0,1,0,0,1,0|2,0,0]=4 674 B12R1.386 CSCNc1n[nH]cc1C(C)C 0aceda8e663e6630d127708468c159bb [0,1,0,0,1,0|2,0,0]=4 675 B12R1.386 CSCNc1nccn1C(C)C 5ff801859de5a7c9155432b394364e04 [0,1,0,0,1,0|2,0,0]=4 676 B12R1.386 CSCNc1ncnn1C(C)C 2bad9c67ca74febcf680c33a07ce5983 [0,1,0,0,1,0|2,0,0]=4 677 B12R1.386 CSCOc1ccnn1C(C)C dfcdf3438f648817d5526cb83fa97e5f [0,1,0,0,1,0|1,0,0]=3 678 B12R1.392 CC(C)Nc1ccnn1C(C)C b0dbf4afb08332f66e0ef072aac51d86 [0,1,0,0,1,0|2,0,0]=4 679 B12R1.392 CC(C)Nc1n[nH]cc1C(C)C e0caf19ace2b4a1f9b0fd122177c82af [0,1,0,0,1,0|2,0,0]=4 680 B12R1.392 CC(C)Nc1nccn1C(C)C d93ac71592088e2ba8bc3c9768efc987 [0,1,0,0,1,0|2,0,0]=4 681 B12R1.392 CC(C)Nc1ncnn1C(C)C dabe841c54e7484faeaabba1a494a212 [0,1,0,0,1,0|2,0,0]=4 682 B12R1.392 CC(C)Oc1ccnn1C(C)C 5dcfd2ea4d833b1f40910b69c53fd416 [0,1,0,0,1,0|1,0,0]=3 683 B12R1.489 CCNc1c(cnn1C(C)C)C 54915f0668f8600ba5c47af1034ab012 [0,1,0,0,1,0|2,0,0]=4 684 B14R1.262 CCNc1ncccc1SC(C)(C)C b9385b5ddc5ad27ec118c420bcd32e48 [0,1,0,0,0,1|2,0,0]=4 685 B14R1.262 CCOc1cccnc1NC(C)(C)C fe00ecbe4a922d6a507e9a63da5bee36 [0,1,0,0,0,1|1,0,0]=3 686 B14R1.262 CCOc1nccnc1NC(C)(C)C 849293546d95404a1437fb6ab552b965 [0,1,0,0,0,1|0,0,0]=2 687 B14R1.262 COCc1nccnc1NC(C)(C)C 2efe1c7c6659e45f63456ec918dfeb33 [0,1,0,0,0,1|2,0,0]=4 688 B14R1.438 CC(C)Oc1ncc(cc1OCF)Br f181077a394f6e3326d45488411acae4 [0,1,0,0,0,1|2,0,0]=4 689 B14R1.438 CCNc1cc(cnc1OC(C)C)Br e7063c75f32147087ecaaf80d0343b40 [0,1,0,0,0,1|2,0,0]=4 690 B14R1.438 CCNc1cc(cnc1OC(C)C)C 5adbff0aa6a16482d347e99edad8747f [0,1,0,0,0,1|2,0,0]=4 691 B14R1.438 CCOc1cc(ccc1NC(C)C)Br d29740ec54bb41ea16b14f204b35827f [0,1,0,0,0,1|2,0,0]=4 692 B14R1.438 CCOc1cc(ccc1NC(C)C)C 1318a966b45b18a27c1340aac013319b [0,1,0,0,0,1|2,0,0]=4 693 B14R1.438 CCOc1cc(ccc1NC(C)C)Cl 2a57000c689ca75204f5e466b67fe8f6 [0,1,0,0,0,1|2,0,0]=4 694 B14R1.438 CCOc1cc(ccc1NC(C)C)F 326abd6c6e9fe0f7bee1135fdf4ee7c4 [0,1,0,0,0,1|2,0,0]=4 695 B14R1.438 CCOc1cc(ccc1OC(C)C)Br 3e4009a082f4c08aa2e5624d9d8fce88 [0,1,0,0,0,1|2,0,0]=4 696 B14R1.438 CCOc1cc(ccc1OC(C)C)C 3b1fd49610491b81cbc7bba6e864a78e [0,1,0,0,0,1|2,0,0]=4 697 B14R1.438 CCOc1cc(ccc1OC(C)C)Cl 13f89593438ddcdc8fffa698421976d2 [0,1,0,0,0,1|2,0,0]=4 698 B14R1.438 CCOc1cc(ccc1OC(C)C)F a4f32698826fbaa231fb1e09e5276498 [0,1,0,0,0,1|2,0,0]=4 699 B14R1.438 CCOc1cc(cnc1NC(C)C)Br 202c8b808c2944c6de451b3fb4bf013c [0,1,0,0,0,1|1,0,0]=3 700 B14R1.438 CCOc1cc(cnc1OC(C)C)Br 9dcf71dbe6de12e5a16f5e858f517f3e [0,1,0,0,0,1|1,0,0]=3 701 B14R1.438 CCOc1nc(cnc1NC(C)C)Br e0108a7fec372ffc7bef2f98203812e1 [0,1,0,0,0,1|0,0,0]=2 702 B14R1.481 CCNc1ncccc1C(=O)C(C)C 9950d7433fd440487ede034d066adbfe [0,1,0,0,0,1|2,0,0]=4 703 B14R1.481 CCOc1cccnc1C(=O)N(C)C edf9c7c1bef4ea1066bea2e33353e316 [0,1,0,0,0,1|2,0,0]=4 704 B14R1.483 C#CC(C)Nc1ncccc1OCC 0fe92fd666acb383e235a4125335a1d9 [0,1,0,0,0,1|1,0,1]=4 705 B14R1.483 C=CC(C)Nc1cccnc1OCC 3984046651894208c041721df1b9e71c [0,1,0,0,0,1|1,0,1]=4 706 B14R1.483 C=CC(C)Nc1ncccc1OCC 1ba8215431de13839b69942a95d7b95b [0,1,0,0,0,1|1,0,1]=4 707 B14R1.483 C=CC(C)Nc1nccnc1OCC c05f68b47c5d47a3fbdcd7494c3ffbd6 [0,1,0,0,0,1|0,0,1]=3 708 B14R1.483 C=CC(C)Oc1cccnc1OCC 85e524f141a815add50fecf224ec2cbf [0,1,0,0,0,1|1,0,1]=4 709 B14R1.483 CCCc1ncccc1OC(C)CC 20bb04c8c893547aa8cb88d9670d3f9d [0,1,0,0,0,1|2,0,0]=4 710 B14R1.483 CCOc1ccccc1NC(C)CC 240c27d7ccdf218d1d12a8c39ea1d708 [0,1,0,0,0,1|2,0,0]=4 711 B14R1.483 CCOc1ccccc1NC(C)CO 5d2b70ee883f141cc52268073a69563b [0,1,0,0,0,1|2,0,0]=4 712 B14R1.483 CCOc1ccccc1N[C@@H](C)CO 8a08b8c97947c781d5b47349fad0c65f [0,1,0,0,0,1|2,0,0]=4 713 B14R1.483 CCOc1ccccc1N[C@H](C)CO d45b42f46562a9d27b1230700072006c [0,1,0,0,0,1|2,0,0]=4 714 B14R1.483 CCOc1ccccc1OC(C)CC 45edfc33ccf504fd3498658d28f266d7 [0,1,0,0,0,1|2,0,0]=4 715 B14R1.483 CCOc1cccnc1NC(C)C#N c5eddaa6c37e7e589518849182db6512 [0,1,0,0,0,1|1,0,1]=4 716 B14R1.483 CCOc1cccnc1NC(C)C=O 63111bf333586e2b7472346dce002b65 [0,1,0,0,0,1|1,0,1]=4 717 B14R1.483 CCOc1cccnc1NC(C)CC aff5fc4fee5a6880c1693030a930ba51 [0,1,0,0,0,1|1,0,0]=3 718 B14R1.483 CCOc1cccnc1NC(C)CO c7876425d934776682c020aac55f6611 [0,1,0,0,0,1|1,0,0]=3 719 B14R1.483 CCOc1cccnc1N[C@@H](C)CC 960c80da0176b1236052e8c4a7c9a230 [0,1,0,0,0,1|1,0,0]=3 720 B14R1.483 CCOc1cccnc1N[C@@H](C)CO fb32fdbc52af01f12be967b5a9abc8bc [0,1,0,0,0,1|1,0,0]=3 721 B14R1.483 CCOc1cccnc1N[C@H](C)C=O 698d1229350d753c750a670dd7dbd73e [0,1,0,0,0,1|1,0,1]=4 722 B14R1.483 CCOc1cccnc1N[C@H](C)CC 6adb824319739c11244ee9dbfdd05471 [0,1,0,0,0,1|1,0,0]=3 723 B14R1.483 CCOc1cccnc1N[C@H](C)CO be2dc95298240358f8ff4226c1677a18 [0,1,0,0,0,1|1,0,0]=3 724 B14R1.483 CCOc1ccnnc1NC(C)CO 9e3a47ed04bbd3136d270e7332f30e0e [0,1,0,0,0,1|2,0,0]=4 725 B14R1.483 CCOc1ccnnc1N[C@@H](C)CO aea49341ef23d6516fc29a2eabba7b76 [0,1,0,0,0,1|2,0,0]=4 726 B14R1.483 CCOc1ccnnc1N[C@H](C)CO 9b5b287aa62cf865f45c51b059867aa7 [0,1,0,0,0,1|2,0,0]=4 727 B14R1.483 CCOc1cncnc1NC(C)CC d149c0b0411afd8918355886b7a608cb [0,1,0,0,0,1|2,0,0]=4 728 B14R1.483 CCOc1cncnc1NC(C)CO 0ea6725b42c0d484708b7fe87065254b [0,1,0,0,0,1|2,0,0]=4 729 B14R1.483 CCOc1cncnc1N[C@@H](C)CO 9787395bb09e6b73b563c80fc5c42ec0 [0,1,0,0,0,1|2,0,0]=4 730 B14R1.483 CCOc1cncnc1N[C@H](C)CO 2f9422e60094ce8114d7e4eeeba7006b [0,1,0,0,0,1|2,0,0]=4 731 B14R1.483 CCOc1ncccc1NC(C)C=O bdc9d5ea6060dc300aba03cc22a46b4d [0,1,0,0,0,1|1,0,1]=4 732 B14R1.483 CCOc1ncccc1NC(C)CC 260c5f2b53cafc519cb907542774d2f7 [0,1,0,0,0,1|1,0,0]=3 733 B14R1.483 CCOc1ncccc1NC(C)CO 242087d984ce21119100304625ed06aa [0,1,0,0,0,1|1,0,0]=3 734 B14R1.483 CCOc1ncccc1N[C@@H](C)CO 2cf0a6c83ffe98d26e46ec50609c2257 [0,1,0,0,0,1|1,0,0]=3 735 B14R1.483 CCOc1ncccc1N[C@H](C)C=O 2cb310e951ba6bbc328e2be8950c63d3 [0,1,0,0,0,1|1,0,1]=4 736 B14R1.483 CCOc1ncccc1N[C@H](C)CO 23253daaa7435de6027c68117f8accc5 [0,1,0,0,0,1|1,0,0]=3 737 B14R1.483 CCOc1ncccc1OC(C)C=O 0413411e0b24f7a7ad31726230b89354 [0,1,0,0,0,1|1,0,1]=4 738 B14R1.483 CCOc1ncccc1OC(C)CC 0c0048265efeaba71137594a788fd38f [0,1,0,0,0,1|1,0,0]=3 739 B14R1.483 CCOc1ncccc1O[C@H](C)C=O b1186fe7d570d0e05ab48ece7ea8ee00 [0,1,0,0,0,1|1,0,1]=4 740 B14R1.483 CCOc1nccnc1NC(=O)CC f4a4c0fbefeb965bb42ba3f8bd74e9f7 [0,1,0,0,0,1|1,0,1]=4 741 B14R1.483 CCOc1nccnc1NC(=O)CF 728894fb39e60392ed44f92dcc12e6f2 [0,1,0,0,0,1|1,0,1]=4 742 B14R1.483 CCOc1nccnc1NC(=O)CO 026afddd891ffabe73f53f8e3cc7fa1d [0,1,0,0,0,1|1,0,1]=4 743 B14R1.483 CCOc1nccnc1NC(=O)CS 4e65f53d8d3be5ce6e31645c690208ab [0,1,0,0,0,1|1,0,1]=4 744 B14R1.483 CCOc1nccnc1NC(C)C#N cd4b1375dbb5e39e4eb95394c0478e2d [0,1,0,0,0,1|0,0,1]=3 745 B14R1.483 CCOc1nccnc1NC(C)C=O b6d649c6b52e7a7c750ff349a3381534 [0,1,0,0,0,1|0,0,1]=3 746 B14R1.483 CCOc1nccnc1NC(C)CC 7664b23e45223a2e716687420dbc4fe6 [0,1,0,0,0,1|0,0,0]=2 747 B14R1.483 CCOc1nccnc1NC(C)CO a03620bafed0aa5c0de3fcd77caad49c [0,1,0,0,0,1|0,0,0]=2 748 B14R1.483 CCOc1nccnc1N[C@@H](C)CC dbf8ce27ab6197f6438f53adebb5ba42 [0,1,0,0,0,1|0,0,0]=2 749 B14R1.483 CCOc1nccnc1N[C@@H](C)CO 1e530d8d048ac6b0541980e9853dab33 [0,1,0,0,0,1|0,0,0]=2 750 B14R1.483 CCOc1nccnc1N[C@H](C)C=O 62a95252469cb00964fe9c7bcbd518fb [0,1,0,0,0,1|0,0,1]=3 751 B14R1.483 CCOc1nccnc1N[C@H](C)CC 137ba46a1863ad808dce3655975ac7fe [0,1,0,0,0,1|0,0,0]=2 752 B14R1.483 CCOc1nccnc1N[C@H](C)CO a21771b07c7cbf3924c3c0850ea301d2 [0,1,0,0,0,1|0,0,0]=2 753 B14R1.483 CCSc1cccnc1NC(C)CC 71570a32726b25df9290abc942eeff57 [0,1,0,0,0,1|1,1,0]=4 754 B14R1.483 CCSc1cccnc1NC(C)CO 6a6479b7dedb12c8bc9087b85037aa60 [0,1,0,0,0,1|1,1,0]=4 755 B14R1.483 CCSc1cccnc1N[C@@H](C)CC 0e76d643d73b3038afdb16c06cbcb37e [0,1,0,0,0,1|1,1,0]=4 756 B14R1.483 CCSc1cccnc1N[C@@H](C)CO 3a5b84fab0fe498000ab150ceac80092 [0,1,0,0,0,1|1,1,0]=4 757 B14R1.483 CCSc1cccnc1N[C@H](C)CC 9e52a68372336263a7b177fbcc254b94 [0,1,0,0,0,1|1,1,0]=4 758 B14R1.483 CCSc1cccnc1N[C@H](C)CO a80d176d47e78ac985abee36f2225040 [0,1,0,0,0,1|1,1,0]=4 759 B14R1.744 CCN(C)c1cccnc1OC(C)C 8e52446234b15559dec0705f1672ef1e [0,1,0,0,0,1|2,0,0]=4 760 B14R1.744 CCN(C)c1ncccc1OC(C)C 793b34dc7f7ebb07e7cac03bd7d0a0f3 [0,1,0,0,0,1|2,0,0]=4 761 B14R1.744 CNC(=O)c1nccnc1NC(C)C 76ab94c7b5bbbe1677ef2ecce22471ef [0,1,0,0,0,1|2,0,0]=4 762 B14R1.744 COC(=O)c1nccnc1NC(C)C a78414de26c969b029b8daf9ef05eb61 [0,1,0,0,0,1|2,0,0]=4 763 B14R1.744 COC(=O)c1nccnc1OC(C)C bea81e390eb587198446fcd2facbe5ff [0,1,0,0,0,1|2,0,0]=4 764 B14R1.786 C#CCOc1cccnc1OC(C)C 5b9aa914c33fe7a68dab9073ec6a0921 [0,1,0,0,0,1|1,0,1]=4 765 B14R1.786 C#CCOc1nccnc1CC(C)C 7f54a59cfdeff4ac047b9dbfd15f9022 [0,1,0,0,0,1|0,0,1]=3 766 B14R1.786 C=CCOc1cccnc1NC(C)C 705bafaa20fc0803b026c30fae44776e [0,1,0,0,0,1|1,0,1]=4 767 B14R1.786 C=CCOc1cccnc1OC(C)C 74081011e5ead9984624f61b61280036 [0,1,0,0,0,1|1,0,1]=4 768 B14R1.786 C=CCOc1nccnc1CC(C)C 8452a5b72a68d33c113423a68c3584a7 [0,1,0,0,0,1|0,0,1]=3 769 B14R1.786 CC(C)Cc1nccnc1OCC#N 823118c6c009a727951e2a7b109a31d7 [0,1,0,0,0,1|0,0,1]=3 770 B14R1.786 CC(C)Cc1nccnc1OCC=O 1a1dc9f5c4aabb6c741c145b9350e332 [0,1,0,0,0,1|0,0,1]=3 771 B14R1.786 CC(C)Cc1nccnc1OCCF 0c78d593c64c5d7287e882a9629c8369 [0,1,0,0,0,1|0,0,0]=2 772 B14R1.786 CC(C)Cc1nccnc1OCCS b65ebc79f8b112d9537751cca60d6f09 [0,1,0,0,0,1|0,0,0]=2 773 B14R1.786 CC(C)Nc1cccnc1OCCO 1e7f5284d2a4d184e9b56fcb9fb09da8 [0,1,0,0,0,1|1,0,0]=3 774 B14R1.786 CC(C)Oc1ccccc1OCCF 83804d2f7c31a1094b5c654913b18a44 [0,1,0,0,0,1|2,0,0]=4 775 B14R1.786 CC(C)Oc1ccccc1OCCS 59e9a283cfeb1907958fe6f180689260 [0,1,0,0,0,1|2,0,0]=4 776 B14R1.786 CC(C)Oc1cccnc1NCCBr 62541078d126f83043af15a6e00ba89e [0,1,0,0,0,1|2,0,0]=4 777 B14R1.786 CC(C)Oc1cccnc1NCCF c81d828709ddaf444e18f30fef798802 [0,1,0,0,0,1|2,0,0]=4 778 B14R1.786 CC(C)Oc1cccnc1NCCI c1664439030da06bdbb5dd06e1855932 [0,1,0,0,0,1|2,0,0]=4 779 B14R1.786 CC(C)Oc1cccnc1NCCO 44d2bb6d99e18dffc47875363fe18be2 [0,1,0,0,0,1|2,0,0]=4 780 B14R1.786 CC(C)Oc1cccnc1NCCS f3f5b4afc264adcb12c36948da53c20f [0,1,0,0,0,1|2,0,0]=4 781 B14R1.786 CC(C)Oc1ncccc1COCF ef4a29b764e5912f1b90a2edda710c99 [0,1,0,0,0,1|2,0,0]=4 782 B14R1.786 CC(C)Oc1ncccc1NCCBr 52db3a284edb954d1dcf7a3c4654a435 [0,1,0,0,0,1|2,0,0]=4 783 B14R1.786 CC(C)Oc1ncccc1NCCF 34278605c7e6d9e7c72dd51225da265f [0,1,0,0,0,1|2,0,0]=4 784 B14R1.786 CC(C)Oc1ncccc1NCCO 9c0cd6aa44e7ac5868035c823431bdbf [0,1,0,0,0,1|2,0,0]=4 785 B14R1.786 CC(C)Oc1ncccc1NCCS e2626f151776e5a54fb180a56fede3eb [0,1,0,0,0,1|2,0,0]=4 786 B14R1.786 CC(C)Oc1ncccc1OCC#N 76122bc04484cdfeddc5237f944638e0 [0,1,0,0,0,1|1,0,1]=4 787 B14R1.786 CC(C)Oc1ncccc1OCC=O d76ace6ec3935e55b014cd8ffafb4222 [0,1,0,0,0,1|1,0,1]=4 788 B14R1.786 CC(C)Oc1ncccc1OCCF 6066ca2a5f7ee68f7080bb4e24e1d17d [0,1,0,0,0,1|1,0,0]=3 789 B14R1.786 CC(C)Oc1ncccc1OCCS fb09a4b342bfe84ec8fdbc3c16e15421 [0,1,0,0,0,1|1,0,0]=3 790 B14R1.786 CC(C)Sc1ncccc1COCF 5aeb1a8febfd5237e3ed644ef1e592a1 [0,1,0,0,0,1|2,0,0]=4 791 B14R1.786 CCCNc1cccnc1OC(C)C 96670a780bba4073116b6b09ba70138b [0,1,0,0,0,1|2,0,0]=4 792 B14R1.786 CCCNc1ncccc1OC(C)C 0db24d877be474aed80bdbc31d4fb62b [0,1,0,0,0,1|2,0,0]=4 793 B14R1.786 CCCOc1ccccc1OC(C)C 2cc59551754e0a97333a82f80ebb05df [0,1,0,0,0,1|2,0,0]=4 794 B14R1.786 CCCOc1cccnc1CN(C)C 7b5c95759d5f41e513e9769901e04c9f [0,1,0,0,0,1|2,0,0]=4 795 B14R1.786 CCCOc1cccnc1OC(C)C fd6369df7bf8b32be642f4b2b998aa9e [0,1,0,0,0,1|1,0,0]=3 796 B14R1.786 CCCOc1nccnc1CC(C)C 11dffad7cc0f93f87148978cdbf4a6ae [0,1,0,0,0,1|0,0,0]=2 797 B14R1.786 CCNCc1cccnc1OC(C)C f164e8a1fe91b763387f79e37ce40ea0 [0,1,0,0,0,1|2,0,0]=4 798 B14R1.786 CCOCc1ccccc1OC(C)C eb6f3b6fafbe018ca845a9ddcc03d66f [0,1,0,0,0,1|2,0,0]=4 799 B14R1.786 CCOCc1cccnc1OC(C)C 09798f138e7cb61b3c0b8096249b0eee [0,1,0,0,0,1|1,0,0]=3 800 B14R1.786 CCOCc1cccnc1SC(C)C 4b63fdca8520acd9d05cf92f16edf822 [0,1,0,0,0,1|1,0,0]=3 801 B14R1.786 CN(C)Cc1ncccc1OCCF 0b900264b48fc0f3301a579c58859976 [0,1,0,0,0,1|2,0,0]=4 802 B14R1.786 CN(C)Cc1ncccc1OCCS 1936c42c9883b516bc979ad2cde0f779 [0,1,0,0,0,1|2,0,0]=4 803 B14R1.786 COCNc1cccnc1OC(C)C 30f55d292fe37871b7ec05438b4093da [0,1,0,0,0,1|2,0,0]=4 804 B14R1.786 COCNc1ncccc1OC(C)C 2ae4db17d061fd9ee23c2cc192b8d380 [0,1,0,0,0,1|2,0,0]=4 805 B14R1.786 COCOc1ccccc1OC(C)C d4a714d27e0aed13573dbed4781e5314 [0,1,0,0,0,1|2,0,0]=4 806 B14R1.786 COCOc1cccnc1CN(C)C 5adfa0270adc7a7ba8e628514833eeef [0,1,0,0,0,1|2,0,0]=4 807 B14R1.786 COCOc1cccnc1OC(C)C 161371f62601f59eb462caf79a7da944 [0,1,0,0,0,1|1,0,0]=3 808 B14R1.786 COCOc1nccnc1CC(C)C b8152f05e8ee77c5584bf73536994bd9 [0,1,0,0,0,1|0,0,0]=2 809 B14R1.786 CSCNc1cccnc1OC(C)C 877b7e8089a9e6e99f3a296e92d7a885 [0,1,0,0,0,1|2,0,0]=4 810 B14R1.786 CSCNc1ncccc1OC(C)C 2eaed0ae9bbed0e0cfbdbfc8780a72a3 [0,1,0,0,0,1|2,0,0]=4 811 B14R1.786 CSCOc1ccccc1OC(C)C 932ceb0cc72cc4a3a57278d28ab1a1d5 [0,1,0,0,0,1|2,0,0]=4 812 B14R1.786 CSCOc1cccnc1CN(C)C e4e585ec81d8121f9dbfd1b8f981fc29 [0,1,0,0,0,1|2,0,0]=4 813 B14R1.786 CSCOc1cccnc1OC(C)C 7297ca2b0d37b8fad9a0e451cc1ad2de [0,1,0,0,0,1|1,0,0]=3 814 B14R1.786 CSCOc1nccnc1CC(C)C 0a17ea823e6b614c3a09c70ca0ff9cd5 [0,1,0,0,0,1|0,0,0]=2 815 B14R1.814 CC(C)Cc1nccnc1OC(C)C 8c150c8876bb8d15f623f56bbbaeb127 [0,1,0,0,0,1|0,0,0]=2 816 B14R1.814 CC(C)Nc1cccnc1OC(C)C b02ba5f02f1af0d573a05a27f670e08e [0,1,0,0,0,1|1,0,0]=3 817 B14R1.814 CC(C)Nc1cccnc1OC(F)F e20f5ad3e496847e4272f91d6c33d641 [0,1,0,0,0,1|2,0,0]=4 818 B14R1.814 CC(C)Nc1ncccc1OC(C)C b6f3e4548ae25337ce0b43b408d8152b [0,1,0,0,0,1|1,0,0]=3 819 B14R1.814 CC(C)Nc1ncccc1OC(F)F d94ff0b3171b439e58651f2b3531c30c [0,1,0,0,0,1|2,0,0]=4 820 B14R1.814 CC(C)Oc1ccccc1OC(C)C a768ad08bd49b7111acacf31b7d0c8d8 [0,1,0,0,0,1|2,0,0]=4 821 B14R1.814 CC(C)Oc1cccnc1CN(C)C b30f14fe29a829bfe5ee46dcf7982b40 [0,1,0,0,0,1|2,0,0]=4 822 B14R1.814 CC(C)Oc1cccnc1OC(C)C 8479940354c95e139b64b1b5d58426a5 [0,1,0,0,0,1|1,0,0]=3 823 B14R1.5090 CCOc1c(cccc1NC(C)C)C 17a85ecee62f23b92dbf4baa419dfec4 [0,1,0,0,0,1|2,0,0]=4 824 B14R1.5090 CCOc1c(cccc1OC(C)C)F ff686d1037cc28d8c7d02771a1b2cdf9 [0,1,0,0,0,1|2,0,0]=4 825 B14R1.5098 CCOc1cccc(c1NC(C)C)C 656d979fdc3dec2d904c0ea881179c76 [0,1,0,0,0,1|2,0,0]=4 826 B14R1.5098 CCOc1cccc(c1NC(C)C)Cl 90c90d1e2330fa7ab0df05fba84e3310 [0,1,0,0,0,1|2,0,0]=4 827 B14R1.5098 CCOc1cccc(c1NC(C)C)F ac36498bac299473b89863073fed786b [0,1,0,0,0,1|2,0,0]=4 828 B14R1.5098 CCOc1cccc(c1OC(C)C)F 55ee1effc876ad0d824b04a698935739 [0,1,0,0,0,1|2,0,0]=4 829 B14R1.5098 CCOc1cccc(c1OC(C)C)I 22a6e31821a591b3a04e0bf75d289140 [0,1,0,0,0,1|2,0,0]=4 830 B14R1.6721 CCNc1ncc(cc1OC(C)C)Br 04e043b7d99533658a0640011c92648b [0,1,0,0,0,1|2,0,0]=4 831 B14R1.6721 CCOc1ccc(cc1NC(C)C)Cl b6fd5a5cffb1b50b55b25473aaa5a3b4 [0,1,0,0,0,1|2,0,0]=4 832 B14R1.6721 CCOc1ccc(cc1NC(C)C)F a2105b4780fba0da85334ab1064af773 [0,1,0,0,0,1|2,0,0]=4 833 B14R1.6721 CCOc1ccc(cc1OC(C)C)Br d0cbcb8ec58b99d7c848bdad88d3ebb7 [0,1,0,0,0,1|2,0,0]=4 834 B14R1.6721 CCOc1ccc(cc1OC(C)C)C e3fb8e076fe9240b09885b39b381e3ab [0,1,0,0,0,1|2,0,0]=4 835 B14R1.6721 CCOc1ccc(cc1OC(C)C)Cl f314b329dc2b8a4f58149319937104b3 [0,1,0,0,0,1|2,0,0]=4 836 B14R1.6721 CCOc1ccc(cc1OC(C)C)F 0b9dfa7de34f8987d5491618f9f93460 [0,1,0,0,0,1|2,0,0]=4 837 B14R1.6721 CCOc1ncc(cc1NC(C)C)Cl 0d9c89f121332ebe740b4240abb318a4 [0,1,0,0,0,1|1,0,0]=3 838 B14R1.5292 CCOc1cc(cccc1=O)C(C)C a01abd245b134bb0cad165a3ba67600f [0,1,0,0,0,1|2,0,0]=4 839 B14R1.67 C#CCOc1ncc(nc1C(C)C)Br 46f5495b01d891e080b4f3403895a3b1 [0,2,0,0,0,0|0,0,1]=3 840 B14R1.67 C=CCOc1ncc(nc1C(C)C)Br 12ba9a8917549ff2e50262d2ac5a5b53 [0,2,0,0,0,0|0,0,1]=3 841 B14R1.67 CC(C)c1cc(ccc1OCCF)Cl 7200152ef6bd9cb745287e40dbf066c7 [0,2,0,0,0,0|2,0,0]=4 842 B14R1.67 CC(C)c1cc(ccc1OCCF)I 0f32b1e73739f8c789fd0d3597a7d67a [0,2,0,0,0,0|2,0,0]=4 843 B14R1.67 CC(C)c1cc(ccc1OCCS)Br 7854d52fce9313a9b5e804f5c7073ee6 [0,2,0,0,0,0|2,0,0]=4 844 B14R1.67 CC(C)c1cc(ccc1OCCS)Cl 75840bfb35371a05cd551cf0e0b2104f [0,2,0,0,0,0|2,0,0]=4 845 B14R1.67 CC(C)c1cc(ccc1OCCS)I 99b95be53ae01331726c7a0ae2d7a396 [0,2,0,0,0,0|2,0,0]=4 846 B14R1.67 CC(C)c1cc(nnc1OCCF)Cl 01d47780a15a185aeb43231cf32fa2be [0,2,0,0,0,0|2,0,0]=4 847 B14R1.67 CC(C)c1cc(nnc1OCCS)Cl 6371f52ad96f02c98a2a1e192514c542 [0,2,0,0,0,0|2,0,0]=4 848 B14R1.67 CC(C)c1nc(cnc1OCC#N)Br 72fbad6b2679b901ade348485261ecc3 [0,2,0,0,0,0|0,0,1]=3 849 B14R1.67 CC(C)c1nc(cnc1OCC=O)Br 114f82873be03410b2b15ba4388cf33e [0,2,0,0,0,0|0,0,1]=3 850 B14R1.67 CC(C)c1nc(cnc1OCCF)Br 4e31e6b97d4a2dc41cd3ad526687cea6 [0,2,0,0,0,0|0,0,0]=2 851 B14R1.67 CC(C)c1nc(cnc1OCCS)Br f38886cd87f8e3f0242062635b9abc74 [0,2,0,0,0,0|0,0,0]=2 852 B14R1.67 CCCNc1ncc(nc1N(C)C)Br 762c3ed0267e7b303caabc20db7267f6 [0,2,0,0,0,0|2,0,0]=4 853 B14R1.67 CCCOc1ccc(cc1C(C)C)C 3c4a952eea4c0104d7bcca8e2979ea83 [0,2,0,0,0,0|2,0,0]=4 854 B14R1.67 CCCOc1ccc(cc1C(C)C)Cl 0386a24959b50abf7fb342cb2a059714 [0,2,0,0,0,0|2,0,0]=4 855 B14R1.67 CCCOc1ccc(cc1C(C)C)I 4d24ba38c2582406be1317cdfdc094b3 [0,2,0,0,0,0|2,0,0]=4 856 B14R1.67 CCCOc1ncc(nc1C(C)C)Br b3548eb5979ffccda5ea86b7c682247e [0,2,0,0,0,0|0,0,0]=2 857 B14R1.67 CCCOc1nnc(cc1C(C)C)Cl a79155e8caed41e5d560a6d90d1fc4c1 [0,2,0,0,0,0|2,0,0]=4 858 B14R1.67 CN(C)c1nc(cnc1NCCF)Br 1f4972fe12da2e290cacf31304d5cac7 [0,2,0,0,0,0|2,0,0]=4 859 B14R1.67 CN(C)c1nc(cnc1NCCO)Br 5a6c148caaedfb72821f55f39928f547 [0,2,0,0,0,0|2,0,0]=4 860 B14R1.67 CN(C)c1nc(cnc1NCCS)Br 77ed63d26ba195ccbb7475ca3e5a0169 [0,2,0,0,0,0|2,0,0]=4 861 B14R1.67 COCNc1ncc(nc1N(C)C)Br 0e6ab40e9f51a45108fe27284d0f57c2 [0,2,0,0,0,0|2,0,0]=4 862 B14R1.67 COCOc1ccc(cc1C(C)C)C 1592e85e50a2e328eaeed688be3fecfe [0,2,0,0,0,0|2,0,0]=4 863 B14R1.67 COCOc1ccc(cc1C(C)C)Cl 1a6f944ee47068b170b7821cd1506ff7 [0,2,0,0,0,0|2,0,0]=4 864 B14R1.67 COCOc1ccc(cc1C(C)C)I fc06986b6c37f7291b5cd6336cdce86e [0,2,0,0,0,0|2,0,0]=4 865 B14R1.67 COCOc1ncc(nc1C(C)C)Br cbb2cafcafe6d184adc13a17e1bd2ac2 [0,2,0,0,0,0|0,0,0]=2 866 B14R1.67 COCOc1nnc(cc1C(C)C)Cl d6a90c166101730ad810183972369827 [0,2,0,0,0,0|2,0,0]=4 867 B14R1.67 CSCNc1ncc(nc1N(C)C)Br a13327cc72e8edb95ba9cb95430824f6 [0,2,0,0,0,0|2,0,0]=4 868 B14R1.67 CSCOc1ccc(cc1C(C)C)C afcd2cd681d80e824daee239d2a0a0a6 [0,2,0,0,0,0|2,0,0]=4 869 B14R1.67 CSCOc1ccc(cc1C(C)C)Cl bcc90e6a5a8f8c283558d63b77794504 [0,2,0,0,0,0|2,0,0]=4 870 B14R1.67 CSCOc1ccc(cc1C(C)C)I 3bffe4e11a0b18390986552ec8d8bb80 [0,2,0,0,0,0|2,0,0]=4 871 B14R1.67 CSCOc1ncc(nc1C(C)C)Br dad332917936887e7ae193dad9209b97 [0,2,0,0,0,0|0,0,0]=2 872 B14R1.67 CSCOc1nnc(cc1C(C)C)Cl 381e2924a1a4378ca8c016a29fc0548c [0,2,0,0,0,0|2,0,0]=4 873 B14R1.67 Cc1ccc(c(c1)C(C)C)OCCF 8a3e36d2dc148d17caea37e828205c0f [0,2,0,0,0,0|2,0,0]=4 874 B14R1.67 Cc1ccc(c(c1)C(C)C)OCCS 6f7194ef133e78721f284a982a2b0fd8 [0,2,0,0,0,0|2,0,0]=4 875 B14R1.5237 CCOc1ccc(cc1C(C)C)C#N 6365682340f8d875b3ad9368242df849 [0,2,0,0,0,0|2,0,0]=4 876 B14R1.5237 CCOc1ccc(cc1C(C)C)C=O 71ab40dc86b7df34eb42d2d811f4cdc3 [0,2,0,0,0,0|2,0,0]=4 877 B14R1.5237 CCOc1ccc(cc1C(C)C)OC 548dce3b4228d0c5ba9ab76e694552ed [0,2,0,0,0,0|2,0,0]=4 878 B14R1.5238 CCOc1ncc(nc1C(=O)OC)Br 4d424155ec0a3f72f16bbfeab4b8d107 [0,2,0,0,0,0|1,0,1]=4 879 B14R1.5238 CCOc1ncc(nc1C(=O)OC)Cl 2b9ba6defa805465568e09ba2960ff61 [0,2,0,0,0,0|1,0,1]=4 880 B14R1.5238 CCOc1ncc(nc1C(=O)OC)F c82a925dea4b3a7d58e55ed3d1873518 [0,2,0,0,0,0|1,0,1]=4 881 B14R1.6074 CC(C)Nc1ncc(nc1N(C)C)Br d645faac534dd182c1cff57a807461ba [0,2,0,0,0,0|2,0,0]=4 882 B14R1.6074 CC(C)Oc1ccc(cc1C(C)C)Br da971969a9c5341ebf5a4fd7121e640f [0,2,0,0,0,0|2,0,0]=4 883 B14R1.6074 CC(C)Oc1ccc(cc1C(C)C)Cl 38fc926445986c300460bdb70fea7fe7 [0,2,0,0,0,0|2,0,0]=4 884 B14R1.6074 CC(C)Oc1ccc(cc1C(C)C)I 1f164512658f4a1f5ee53a99fd7f1ced [0,2,0,0,0,0|2,0,0]=4 885 B14R1.6074 CC(C)Oc1ncc(nc1C(C)C)Br 59a2fa852d21fb61ee2a7b7ad19f8fb4 [0,2,0,0,0,0|0,0,0]=2 886 B14R1.6074 CC(C)Oc1nnc(cc1C(C)C)Cl 4cb12b0a3dbbd8c49fc24cca21fb10af [0,2,0,0,0,0|2,0,0]=4 887 B14R1.6074 Cc1ccc(c(c1)C(C)C)OC(C)C 694e6a1a7d3ce1b570934f48fa5d313a [0,2,0,0,0,0|2,0,0]=4 888 B14R1.6722 CCNc1ncc(cc1C(C)(C)O)Br b79151a9f1ed9e7e3012c03daa71c778 [0,2,0,0,0,0|2,0,0]=4 889 B14R1.6722 CCOc1ccc(cc1C(C)(C)C)Br 866f1f3bf501fe4d7884a75d2f3ed252 [0,2,0,0,0,0|2,0,0]=4 890 B14R1.6722 CCOc1ccc(cc1C(C)(C)C)C e0a581a6a361fc2df4a70a498a0c0f42 [0,2,0,0,0,0|2,0,0]=4 891 B14R1.6722 CCOc1ccc(cc1C(C)(C)C)Cl 08a7795f3aa3ef10a8b8a665edf4b2fe [0,2,0,0,0,0|2,0,0]=4 892 B14R1.6722 CCOc1ccc(cc1C(C)(C)C)F 03345e7cd017b4b2f100341607fb7213 [0,2,0,0,0,0|2,0,0]=4 893 B14R1.6722 CCOc1ccc(cc1C(C)(C)C)I 53348c4b0559a500ab4b77eb7562f466 [0,2,0,0,0,0|2,0,0]=4 894 B14R1.10275 CCOc1cc(c(cc1C(C)C)Cl)C e039f073244ba9a5f03803955a7ce049 [0,2,0,0,0,0|2,0,0]=4 895 B14R1.164 CC(C)Nc1cc(cnc1C(C)C)Br 6f5f270927bbbb48399aa0ac60938d6b [0,2,0,0,0,0|2,0,0]=4 896 B14R1.164 CC(C)Oc1cc(ccc1C(C)C)Br db020899d23535a1ef5037ecbf11c666 [0,2,0,0,0,0|2,0,0]=4 897 B14R1.164 Cc1ccc(c(c1)OC(C)C)C(C)C 4d66615f08580f94d8058a1749ff71e8 [0,2,0,0,0,0|2,0,0]=4 898 B14R1.760 CC(C)c1ccc(cc1OCCS)Br 9559295069ee0a89c54dc4e0122f03c2 [0,2,0,0,0,0|2,0,0]=4 899 B14R1.760 CC(C)c1ncc(cc1NCCF)Br a2bd4365bd2aab710bdcce63db664069 [0,2,0,0,0,0|2,0,0]=4 900 B14R1.760 CC(C)c1ncc(cc1NCCO)Br d16a7a4cb7587b4af6eb2237a4fd02f2 [0,2,0,0,0,0|2,0,0]=4 901 B14R1.760 CC(C)c1ncc(cc1NCCS)Br 11946fa4997734d780d2b8912c7c100e [0,2,0,0,0,0|2,0,0]=4 902 B14R1.760 CCCNc1cc(cnc1C(C)C)Br 5e0043892e2ce3d8c3f894936568e291 [0,2,0,0,0,0|2,0,0]=4 903 B14R1.760 CCCOc1cc(ccc1C(C)C)Br d581de5a9c184804e9fa9235ecbe7551 [0,2,0,0,0,0|2,0,0]=4 904 B14R1.760 CCCOc1cc(ccc1C(C)C)C f605c4493fd094ab1dd5914c808e20b2 [0,2,0,0,0,0|2,0,0]=4 905 B14R1.760 COCNc1cc(cnc1C(C)C)Br 37bfd8ee89a0e6c6397f4c775b186977 [0,2,0,0,0,0|2,0,0]=4 906 B14R1.760 COCOc1cc(ccc1C(C)C)C f2e33178638c33952fde8c44e3559b09 [0,2,0,0,0,0|2,0,0]=4 907 B14R1.760 CSCNc1cc(cnc1C(C)C)Br a94c271f734c3272956089a134493ddb [0,2,0,0,0,0|2,0,0]=4 908 B14R1.760 CSCOc1cc(ccc1C(C)C)C 1fb8bd1c122e8aea47e272c5666cb95c [0,2,0,0,0,0|2,0,0]=4 909 B14R1.760 Cc1ccc(c(c1)OCCS)C(C)C 2f94e4efb0d2edd0cec397c23f0fd7c7 [0,2,0,0,0,0|2,0,0]=4 910 B14R1.14833 CCOc1c(ccc(c1Br)C)C(C)C 5413fe499ecc17c8b24bab35edeefe37 [0,2,0,0,0,0|2,0,0]=4 911 B14R1.788 C#CCOc1cccnc1C(C)(C)C 1cd77b0be63ff4615cee0f97ca435cce [0,2,0,0,0,0|1,0,1]=4 912 B14R1.788 C=CCOc1cccnc1C(C)(C)C 411f8f6a223bd956af3b1569545dd672 [0,2,0,0,0,0|1,0,1]=4 913 B14R1.788 CC(C)(C)c1ccccc1OCCF 675351e1e1e43acafda38b7c15538eea [0,2,0,0,0,0|2,0,0]=4 914 B14R1.788 CC(C)(C)c1ccccc1OCCS b11bf2d1c8e10049497418636fec9396 [0,2,0,0,0,0|2,0,0]=4 915 B14R1.788 CC(C)(C)c1ncccc1NCCF 1173ab5345794737a5664e900a1e68ee [0,2,0,0,0,0|2,0,0]=4 916 B14R1.788 CC(C)(C)c1ncccc1NCCO ef77c76677e755b8b0259fff1dd5456e [0,2,0,0,0,0|2,0,0]=4 917 B14R1.788 CC(C)(C)c1ncccc1NCCS 377a22bb28c10b96d95481700b19acc9 [0,2,0,0,0,0|2,0,0]=4 918 B14R1.788 CC(C)(C)c1ncccc1OCC#N 8404be89a5da83a610dbf69c9967bf72 [0,2,0,0,0,0|1,0,1]=4 919 B14R1.788 CC(C)(C)c1ncccc1OCC=O 387491be38dcd19165eab43d535296b0 [0,2,0,0,0,0|1,0,1]=4 920 B14R1.788 CC(C)(C)c1ncccc1OCCF 8c043140bb8334ee3d4b3a74f5b2b4c2 [0,2,0,0,0,0|1,0,0]=3 921 B14R1.788 CC(C)(C)c1ncccc1OCCS d6ddc2757654df1e0ebc93cb2b636478 [0,2,0,0,0,0|1,0,0]=3 922 B14R1.788 CC(C)(O)c1cccnc1NCCBr 1d6cdd61fa83722fdaee92b459def1f4 [0,2,0,0,0,0|2,0,0]=4 923 B14R1.788 CC(C)(O)c1cccnc1NCCI b524f105a49b1bc9ee5ded6a7c7eda36 [0,2,0,0,0,0|2,0,0]=4 924 B14R1.788 CC(C)(O)c1cccnc1NCCO e89962f7de9e7df48f59007fefcbc433 [0,2,0,0,0,0|2,0,0]=4 925 B14R1.788 CC(C)(O)c1cccnc1NCCS b9a0ebdf9c5834513ecc4f38c9f97e99 [0,2,0,0,0,0|2,0,0]=4 926 B14R1.788 CCCNc1cccnc1C(C)(C)C 81149425a668b06524b69fc319e347ca [0,2,0,0,0,0|2,0,0]=4 927 B14R1.788 CCCNc1ncccc1C(C)(C)O 1f9824681e6570e4adcf933a1df67e57 [0,2,0,0,0,0|2,0,0]=4 928 B14R1.788 CCCOc1ccccc1C(C)(C)C 055b1635937258638af186774722eca6 [0,2,0,0,0,0|2,0,0]=4 929 B14R1.788 CCCOc1cccnc1C(C)(C)C 123f77a8bfd49b5eda2387db8be6addc [0,2,0,0,0,0|1,0,0]=3 930 B14R1.788 COCNc1cccnc1C(C)(C)C 9405e2b06642cb5c83bb54f2bfe122d9 [0,2,0,0,0,0|2,0,0]=4 931 B14R1.788 COCOc1ccccc1C(C)(C)C c484aeec2979af9a601f9db70e10961a [0,2,0,0,0,0|2,0,0]=4 932 B14R1.788 COCOc1cccnc1C(C)(C)C 777a793447d7da6e3d647eef91e583d0 [0,2,0,0,0,0|1,0,0]=3 933 B14R1.788 CSCNc1cccnc1C(C)(C)C 21224620dc5f93e86b56d647edab9d71 [0,2,0,0,0,0|2,0,0]=4 934 B14R1.788 CSCOc1ccccc1C(C)(C)C 35d1f60fd0e6c267d7c2d1488b997e05 [0,2,0,0,0,0|2,0,0]=4 935 B14R1.788 CSCOc1cccnc1C(C)(C)C 357fcf8fbee06004f2112903b0963e78 [0,2,0,0,0,0|1,0,0]=3 936 B14R1.815 CC(C)Nc1cccnc1C(C)(C)C 7e084d62a70b18eedd43b229a0ed2a0c [0,2,0,0,0,0|2,0,0]=4 937 B14R1.815 CC(C)Oc1ccccc1C(C)(C)C 0a10b117ddc085ca1c6e8848a699a5d1 [0,2,0,0,0,0|2,0,0]=4 938 B14R1.815 CC(C)Oc1cccnc1C(C)(C)C c7268df4d64b5ad957cb2162cdba0195 [0,2,0,0,0,0|1,0,0]=3 939 B14R1.5091 CCOc1c(cccc1C(C)(C)C)C 506dcfcf86be62dd01a5a6c3971fe1cd [0,2,0,0,0,0|2,0,0]=4 940 B14R1.5091 CCOc1c(cccc1C(C)(C)C)Cl 21be12d1120f2f4c6faa7b0b0c8f6141 [0,2,0,0,0,0|2,0,0]=4 941 B14R1.5091 CCOc1c(cccc1C(C)(C)C)F e6099854ed698ef3f5c22fcda5559038 [0,2,0,0,0,0|2,0,0]=4 942 B14R1.5220 CCOc1ccccc1C(C)(C)CC 933401a928fe2d4b84ae970d3bf2f064 [0,2,0,0,0,0|2,0,0]=4 943 B14R1.263 C=CCN(C)c1cccnc1OCC a60951ad6b591b87fc8f58db43fe4577 [0,2,0,0,0,0|2,0,0]=4 944 B14R1.263 C=CCN(C)c1ncccc1OCC 5f356c29607ebcce692463177e906cc9 [0,2,0,0,0,0|2,0,0]=4 945 B14R1.263 C=CCN(C)c1nccnc1OCC 03bc9d96628929be7a3b6e765036fb16 [0,2,0,0,0,0|1,0,0]=3 946 B14R1.263 CCCN(C)c1cccnc1OCC c21d5c51372a1ec94568e8dbe396825d [0,2,0,0,0,0|2,0,0]=4 947 B14R1.263 CCCN(C)c1nccnc1OCC 8a541cff8f464f829830d6b4a8504f22 [0,2,0,0,0,0|1,0,0]=3 948 B14R1.263 CCNC(C)c1ccccc1OCC da5eb6273b71450308913322137b11e2 [0,2,0,0,0,0|2,0,0]=4 949 B14R1.263 CCN[C@H](C)c1ccccc1OCC bed6b3c3eac0a83aefdc8db655a21e6e [0,2,0,0,0,0|2,0,0]=4 950 B14R1.263 CCOc1ccccc1C(C)NCF cd3f79969a6a526496f2b2fa43de7d37 [0,2,0,0,0,0|2,0,0]=4 951 B14R1.263 CCOc1ccccc1C(C)NCO 5964655bab16cbba3b3c574343ca57fe [0,2,0,0,0,0|2,0,0]=4 952 B14R1.263 CCOc1ccccc1C(C)OCC ec60b4f90ad49df0a05899e3ff981682 [0,2,0,0,0,0|2,0,0]=4 953 B14R1.263 CCOc1ccccc1C(C)OCF 0ce38bd10e18c0bb11823e609849d488 [0,2,0,0,0,0|2,0,0]=4 954 B14R1.263 CCOc1ccccc1[C@@H](C)NCF 28c6af0d13ef55592a8b41a62dccd3ad [0,2,0,0,0,0|2,0,0]=4 955 B14R1.263 CCOc1ccccc1[C@@H](C)NCO 078110b4cde206b96410be6ee93b2bdc [0,2,0,0,0,0|2,0,0]=4 956 B14R1.263 CCOc1cccnc1N(C)CCO 05efe5c5d0161965b153aad316080624 [0,2,0,0,0,0|2,0,0]=4 957 B14R1.263 CCOc1ncccc1N(C)CC#N f67315602015d3268e63facb84e1b162 [0,2,0,0,0,0|2,0,0]=4 958 B14R1.263 CCOc1ncccc1N(C)CCF 97e7b942c7b3a6deec2c6a157e1843d4 [0,2,0,0,0,0|2,0,0]=4 959 B14R1.263 CCOc1ncccc1N(C)CCO 15c7b0851b6f816181a765f2feda13ca [0,2,0,0,0,0|2,0,0]=4 960 B14R1.263 CCOc1nccnc1N(C)CC#N 97df54b0193d3fc0e7a98f1012972269 [0,2,0,0,0,0|1,0,0]=3 961 B14R1.263 CCOc1nccnc1N(C)CCF 4629e186670f8080655a31e8d777fa86 [0,2,0,0,0,0|1,0,0]=3 962 B14R1.263 CCOc1nccnc1N(C)CCO 4d4d60c85617b9477bf8a215d1e65fef [0,2,0,0,0,0|1,0,0]=3 963 B14R1.789 CCC(C)c1ccccc1OCCS 86323ccee1176e726f8cd9898a84649a [0,2,0,0,0,0|2,0,0]=4 964 B14R1.789 CCCOc1ccccc1C(C)CC 3bf3f8569c9a09d0ff6f8e3519e67eeb [0,2,0,0,0,0|2,0,0]=4 965 B14R1.789 CCCOc1ncccc1N(C)CC 0cb379cef093537dd324ccb82264a9bd [0,2,0,0,0,0|2,0,0]=4 966 B14R1.789 CCCOc1nccnc1C(=O)OC bb9ee476c4c6612d2b871a98bdeb90d1 [0,2,0,0,0,0|1,0,1]=4 967 B14R1.789 CCN(C)c1cccnc1OCCO bd8f8fc55c24f20621d64a9e56594090 [0,2,0,0,0,0|2,0,0]=4 968 B14R1.789 CCN(C)c1ncccc1OCCF 38a59619e77e9405ead17a0c9b90e618 [0,2,0,0,0,0|2,0,0]=4 969 B14R1.789 CCN(C)c1ncccc1OCCO 60552e6cc5ee932a4dfaa36f96033991 [0,2,0,0,0,0|2,0,0]=4 970 B14R1.789 COC(=O)c1nccnc1OCCF 73010ef8d44d3f5ed002c4b11ed8fb53 [0,2,0,0,0,0|1,0,1]=4 971 B14R1.789 COC(=O)c1nccnc1OCCS 8ad758acea670f1a519a175eaa9ced72 [0,2,0,0,0,0|1,0,1]=4 972 B14R1.789 COC(=O)c1nccnc1OCSC 7a8b2ad03ede576a1936a6acaa7c7517 [0,2,0,0,0,0|1,0,1]=4 973 B14R1.789 COCOc1nccnc1C(=O)OC 2e8af37c5adaa843de5ab950e98f4c8c [0,2,0,0,0,0|1,0,1]=4 974 B14R1.789 CO[C@@H](C)c1ncccc1NCCI ab94c855e004fe95085c5158e1de854c [0,2,0,0,0,0|2,0,0]=4 975 B14R1.789 CO[C@@H](C)c1ncccc1NCCO 5ecde944b5fb819982def2da765771e5 [0,2,0,0,0,0|2,0,0]=4 976 B14R1.789 CO[C@@H](C)c1ncccc1NCCS c1a69e65191a6a2a8a819c270bae59a6 [0,2,0,0,0,0|2,0,0]=4 977 B14R1.5566 CCOc1nccc(c1N(C)CC)C 60cd71e5b4f526e9bbf9d039d8b93e7b [0,2,0,0,0,0|2,0,0]=4 978 B14R1.623 C=CCN(C)c1nccnc1C(C)C aff8d26e4e131f669cc7cdd279dd07eb [0,2,0,0,0,0|1,0,1]=4 979 B14R1.623 CC(C)c1cccnc1N(C)CCF dda2fae9c1c9bec953b1145fa1cb3209 [0,2,0,0,0,0|2,0,0]=4 980 B14R1.623 CC(C)c1cccnc1N(C)CCO 6c022c7360263f30b9c32f4e57e93b01 [0,2,0,0,0,0|2,0,0]=4 981 B14R1.623 CCOC(C)c1ccccc1C(C)C 5ad3dbbac64e63f0d6e6795e86352980 [0,2,0,0,0,0|2,0,0]=4 982 B14R1.903 C#CCCNc1cccnc1C(C)C 629b8b2253c75bc79133580ec35a0349 [0,2,0,0,0,0|2,0,0]=4 983 B14R1.903 C#CCCNc1ncccc1C(C)C 9104da94de5ae017c6da4a7be7b3290b [0,2,0,0,0,0|2,0,0]=4 984 B14R1.903 C#CCCNc1nccnc1C(C)C de296a6bc78805c03352d848fa04f751 [0,2,0,0,0,0|1,0,0]=3 985 B14R1.903 C#CCCNc1nccnc1N(C)C 2c41272453a426c67790c56268e2928e [0,2,0,0,0,0|2,0,0]=4 986 B14R1.903 C#CCCOc1ccccc1C(C)C ec9234a537d86b8a83c8360d4569eef4 [0,2,0,0,0,0|2,0,0]=4 987 B14R1.903 C#CCCOc1cccnc1C(C)C dbd3eab9839bf2c422f2edbdef109bc9 [0,2,0,0,0,0|1,0,0]=3 988 B14R1.903 C#CCCOc1cccnc1N(C)C aecf13e7f6f2a3aae03a1dc449fe1ac9 [0,2,0,0,0,0|2,0,0]=4 989 B14R1.903 C#CCCOc1nccnc1C(C)C 3787933c703a3b3e42a3a1f289065cf9 [0,2,0,0,0,0|0,0,0]=2 990 B14R1.903 C#CCOCc1cccnc1C(C)C 099e88a7f5e3c2fb32353957347b9b5a [0,2,0,0,0,0|1,0,1]=4 991 B14R1.903 C#CCOCc1ncccc1C(C)C 78ee0621160c276898b728b5f9015e0b [0,2,0,0,0,0|1,0,1]=4 992 B14R1.903 C/C=C/CNc1cccnc1C(C)C 6d4dadb07f28c38ba59a13c2740226e9 [0,2,0,0,0,0|2,0,0]=4 993 B14R1.903 C/C=C/CNc1ncccc1C(C)C 9412c2261fa31ee4b9006818ccace680 [0,2,0,0,0,0|2,0,0]=4 994 B14R1.903 C/C=C/CNc1nccnc1C(C)C 8d06ccc9b1ea0cdf553c818803f410f8 [0,2,0,0,0,0|1,0,0]=3 995 B14R1.903 C/C=C/CNc1nccnc1N(C)C 46c2bfc2b378a4eb7a445961ae789189 [0,2,0,0,0,0|2,0,0]=4 996 B14R1.903 C/C=C/COc1ccccc1C(C)C b78152c281fbde4736eb09392ccf618d [0,2,0,0,0,0|2,0,0]=4 997 B14R1.903 C/C=C/COc1cccnc1C(C)C c69dfe5d2913ab1d1beead5d6618dbf6 [0,2,0,0,0,0|1,0,0]=3 998 B14R1.903 C/C=C/COc1cccnc1N(C)C 430b8be398e205053197c44525dc3581 [0,2,0,0,0,0|2,0,0]=4 999 B14R1.903 C/C=C/COc1nccnc1C(C)C 7a07bea01bbcc7a7faf33c23f5356c73 [0,2,0,0,0,0|0,0,0]=2 1000 B14R1.903 C/C=C\CNc1cccnc1C(C)C d30a1065ffbe4b3aa1c97ae83e3f1d00 [0,2,0,0,0,0|2,0,0]=4 1001 B14R1.903 C/C=C\CNc1ncccc1C(C)C 9cd08195fea47085e21bb0c36e5d5de3 [0,2,0,0,0,0|2,0,0]=4 1002 B14R1.903 C/C=C\CNc1nccnc1C(C)C 9dd61383fa6154bf3735a5ae3dbb9d9f [0,2,0,0,0,0|1,0,0]=3 1003 B14R1.903 C/C=C\CNc1nccnc1N(C)C 76aa651add086021223aa2468ad9f16f [0,2,0,0,0,0|2,0,0]=4 1004 B14R1.903 C/C=C\COc1ccccc1C(C)C f00024256cb754870d5454ab0bff3ea5 [0,2,0,0,0,0|2,0,0]=4 1005 B14R1.903 C/C=C\COc1cccnc1C(C)C 39beb4f66580b086613345eb3168f9a4 [0,2,0,0,0,0|1,0,0]=3 1006 B14R1.903 C/C=C\COc1cccnc1N(C)C 074dbaa90558113def32212d5d63a1c9 [0,2,0,0,0,0|2,0,0]=4 1007 B14R1.903 C/C=C\COc1nccnc1C(C)C e0e56c8e574a235807117323fd2f66da [0,2,0,0,0,0|0,0,0]=2 1008 B14R1.903 C=CCCNc1cccnc1C(C)C 7326b8b94cd7cadc1764865256f508d8 [0,2,0,0,0,0|2,0,0]=4 1009 B14R1.903 C=CCCNc1ncccc1C(C)C 5e02e91e9fccc4f240bb4985bd5d3880 [0,2,0,0,0,0|2,0,0]=4 1010 B14R1.903 C=CCCNc1nccnc1C(C)C d76d324f41a6487c524a8d25dec8b9e5 [0,2,0,0,0,0|1,0,0]=3 1011 B14R1.903 C=CCCNc1nccnc1N(C)C bda2b13b6af24ecd4577d2e33cba23d1 [0,2,0,0,0,0|2,0,0]=4 1012 B14R1.903 C=CCCOc1ccccc1C(C)C 2e1b569be21b452a3ad26f7d55bfa0f6 [0,2,0,0,0,0|2,0,0]=4 1013 B14R1.903 C=CCCOc1cccnc1C(C)C dd8b7926b8a3d10eaa536a4723c3d96e [0,2,0,0,0,0|1,0,0]=3 1014 B14R1.903 C=CCCOc1cccnc1N(C)C d92db34f8638b75198ab7fa8a08f0338 [0,2,0,0,0,0|2,0,0]=4 1015 B14R1.903 C=CCCOc1nccnc1C(C)C 958cd34373e3e4bbb79a5975f0b063ae [0,2,0,0,0,0|0,0,0]=2 1016 B14R1.903 C=CCOCc1cccnc1C(C)C 134e2d399c6360c14f66c1860a4ce847 [0,2,0,0,0,0|1,0,1]=4 1017 B14R1.903 C=CCOCc1ncccc1C(C)C 4044d3e9d52db7d25208fd4becefd236 [0,2,0,0,0,0|1,0,1]=4 1018 B14R1.903 CC(C)c1ccccc1COCCF 20c1fdd151ed1bd52fe178e4bbadc198 [0,2,0,0,0,0|2,0,0]=4 1019 B14R1.903 CC(C)c1ccccc1COCCS f80594bdaec29b09803dbbc0537453f5 [0,2,0,0,0,0|2,0,0]=4 1020 B14R1.903 CC(C)c1ccccc1OCCC#N bd5118ac6f9fadef314e8727c8a253a1 [0,2,0,0,0,0|2,0,0]=4 1021 B14R1.903 CC(C)c1ccccc1OCCC=O 2d234b305d0e4011c0dfbf6bdd7c7060 [0,2,0,0,0,0|2,0,0]=4 1022 B14R1.903 CC(C)c1ccccc1OCCCF 7fb9b9de1a308539a7814f81fff95e3d [0,2,0,0,0,0|2,0,0]=4 1023 B14R1.903 CC(C)c1ccccc1OCCCS b5ebe8b2b1f64f39596792cc1f1dec05 [0,2,0,0,0,0|2,0,0]=4 1024 B14R1.903 CC(C)c1cccnc1CNCCBr 7f322bbe4fe9d8fe087ab21b61da88a7 [0,2,0,0,0,0|2,0,0]=4 1025 B14R1.903 CC(C)c1cccnc1CNCCF 282a7c4f72005db0704d3f1ad59252bf [0,2,0,0,0,0|2,0,0]=4 1026 B14R1.903 CC(C)c1cccnc1CNCCI 83753df16ba3f87e40315d622b68cb88 [0,2,0,0,0,0|2,0,0]=4 1027 B14R1.903 CC(C)c1cccnc1CNCCO f47cd4ea3265e96a0e5c73f1584c9880 [0,2,0,0,0,0|2,0,0]=4 1028 B14R1.903 CC(C)c1cccnc1CNCCS c3a7b90868c41af6b66bcd14aec8912b [0,2,0,0,0,0|2,0,0]=4 1029 B14R1.903 CC(C)c1cccnc1COCC#N ed9876b29a5e2b8c2eb5e0d2610cbb90 [0,2,0,0,0,0|1,0,1]=4 1030 B14R1.903 CC(C)c1cccnc1COCC=O 5006e93a33f2655cab60c6457fd289e1 [0,2,0,0,0,0|1,0,1]=4 1031 B14R1.903 CC(C)c1cccnc1COCCF 7cfc939d9e916c8702059baf3ea15436 [0,2,0,0,0,0|1,0,0]=3 1032 B14R1.903 CC(C)c1cccnc1COCCS 663d5f34a691d58ca72156c82daac786 [0,2,0,0,0,0|1,0,0]=3 1033 B14R1.903 CC(C)c1cccnc1NCCC#N 37435b6e46384fd6dd6decc97f7b6131 [0,2,0,0,0,0|2,0,0]=4 1034 B14R1.903 CC(C)c1cccnc1NCCC=O f91ba42486762caa4384c070977bb167 [0,2,0,0,0,0|2,0,0]=4 1035 B14R1.903 CC(C)c1cccnc1NCCCCl 39cbe9fb3bf8b7f7b6aec6d03e766231 [0,2,0,0,0,0|2,0,0]=4 1036 B14R1.903 CC(C)c1cccnc1NCCCF 6b729a0058016026cebd44ea551cba17 [0,2,0,0,0,0|2,0,0]=4 1037 B14R1.903 CC(C)c1cccnc1NCCCO a69ad1d5274c5a74f77dba03affe50e5 [0,2,0,0,0,0|2,0,0]=4 1038 B14R1.903 CC(C)c1cccnc1NCCCS 0c01d91f8a84dbfef681cefc19848fdd [0,2,0,0,0,0|2,0,0]=4 1039 B14R1.903 CC(C)c1cccnc1NCCON 36b2c43d77ea28f884bbf2d83c717f0a [0,2,0,0,0,0|2,0,0]=4 1040 B14R1.903 CC(C)c1ncccc1COCC#N 71313bb82deed5ff00014c4412aa4546 [0,2,0,0,0,0|1,0,1]=4 1041 B14R1.903 CC(C)c1ncccc1COCC=O a16796d1c41aaf4f34f891841e89f472 [0,2,0,0,0,0|1,0,1]=4 1042 B14R1.903 CC(C)c1ncccc1COCCF d6cd04e4af5bcab4315efcd4b0c91ac5 [0,2,0,0,0,0|1,0,0]=3 1043 B14R1.903 CC(C)c1ncccc1COCCS dd877839015cb7d33d4dc5eba5956ce6 [0,2,0,0,0,0|1,0,0]=3 1044 B14R1.903 CC(C)c1ncccc1NCCC#N f30d03889da9956cb320919230d4dc44 [0,2,0,0,0,0|2,0,0]=4 1045 B14R1.903 CC(C)c1ncccc1NCCC=O fccc522c12825e9cbaabeae0ec946d52 [0,2,0,0,0,0|2,0,0]=4 1046 B14R1.903 CC(C)c1ncccc1NCCCCl ef45b792aae31657ab918368bad1343d [0,2,0,0,0,0|2,0,0]=4 1047 B14R1.903 CC(C)c1ncccc1NCCCF 43f74fe33c2a4c0a4b0630654b3856e0 [0,2,0,0,0,0|2,0,0]=4 1048 B14R1.903 CC(C)c1ncccc1NCCCO 0646f54afe4adb37b7e8f80d9463d8d9 [0,2,0,0,0,0|2,0,0]=4 1049 B14R1.903 CC(C)c1ncccc1NCCCS cb35ca65ccd7ce482d21eb52d655fc75 [0,2,0,0,0,0|2,0,0]=4 1050 B14R1.903 CC(C)c1ncccc1NCCON 56ae2f74ed231153357a55eb53552f0e [0,2,0,0,0,0|2,0,0]=4 1051 B14R1.903 CC(C)c1ncccc1OC/C=C/Cl 45bc0e7f5eab78064b1c12ddb8cdd2ad [0,2,0,0,0,0|1,0,1]=4 1052 B14R1.903 CC(C)c1ncccc1OC/C=C\Cl 7f24f1f3f6e37636e4b169a9db0a4c87 [0,2,0,0,0,0|1,0,1]=4 1053 B14R1.903 CC(C)c1ncccc1OCCC#N 1e7783ec673f3bf66968294b12abf3d3 [0,2,0,0,0,0|1,0,0]=3 1054 B14R1.903 CC(C)c1ncccc1OCCC=O 35eddef52e767e0fe158bed61de12532 [0,2,0,0,0,0|1,0,0]=3 1055 B14R1.903 CC(C)c1ncccc1OCCCF 371db4507e09c1b3d677afe8d39a9e5a [0,2,0,0,0,0|1,0,0]=3 1056 B14R1.903 CC(C)c1ncccc1OCCCS e6615ad5e71985b13d1769e79da06972 [0,2,0,0,0,0|1,0,0]=3 1057 B14R1.903 CC(C)c1ncccc1OCSC#N b200514d16cebab8fb2c1401bc19874e [0,2,0,0,0,0|1,0,1]=4 1058 B14R1.903 CC(C)c1nccnc1NC/C=C/Cl 10179d52626d93385ef8e56e504b6055 [0,2,0,0,0,0|1,0,1]=4 1059 B14R1.903 CC(C)c1nccnc1NC/C=C\Cl 7fc08806938662fed2b9f2986cf3c0e7 [0,2,0,0,0,0|1,0,1]=4 1060 B14R1.903 CC(C)c1nccnc1NC/C=C\O ecb80f3c27db9511ef8b371ea4338ff7 [0,2,0,0,0,0|1,0,1]=4 1061 B14R1.903 CC(C)c1nccnc1NCCC#N d966095ec4d9ebed2f5d428aeaa16c6e [0,2,0,0,0,0|1,0,0]=3 1062 B14R1.903 CC(C)c1nccnc1NCCC=O 69b7bf269271c5ae03633209f199012c [0,2,0,0,0,0|1,0,0]=3 1063 B14R1.903 CC(C)c1nccnc1NCCCCl 5c7071d329fc479661e778af4308e221 [0,2,0,0,0,0|1,0,0]=3 1064 B14R1.903 CC(C)c1nccnc1NCCCF 4f91551b2c977b4a23904e44d8c20c86 [0,2,0,0,0,0|1,0,0]=3 1065 B14R1.903 CC(C)c1nccnc1NCCCO edfdef7f1050dc9769ba460cd78368e9 [0,2,0,0,0,0|1,0,0]=3 1066 B14R1.903 CC(C)c1nccnc1NCCCS b17609950112d88b1bae4385e0b9b2b8 [0,2,0,0,0,0|1,0,0]=3 1067 B14R1.903 CC(C)c1nccnc1NCCON a5a237472bab15d66709797a6949e801 [0,2,0,0,0,0|1,0,0]=3 1068 B14R1.903 CC(C)c1nccnc1NCSC#N d01279851df6cc6f93285b819098daaa [0,2,0,0,0,0|1,0,1]=4 1069 B14R1.903 CC(C)c1nccnc1OC/C=C/Cl 302f204af35d096d41b7fee47cf26146 [0,2,0,0,0,0|0,0,1]=3 1070 B14R1.903 CC(C)c1nccnc1OC/C=C\Cl 61eb1636bd8a50748714d7137acf4fcb [0,2,0,0,0,0|0,0,1]=3 1071 B14R1.903 CC(C)c1nccnc1OCCC#N f2d578e389ad91f46f0623872c1eb600 [0,2,0,0,0,0|0,0,0]=2 1072 B14R1.903 CC(C)c1nccnc1OCCC=O f9e76a9fa91aa3bee83a258a62ca4b83 [0,2,0,0,0,0|0,0,0]=2 1073 B14R1.903 CC(C)c1nccnc1OCCCF 69fda48fa57fe5b240430ee533c99813 [0,2,0,0,0,0|0,0,0]=2 1074 B14R1.903 CC(C)c1nccnc1OCCCS 5a45a7ed68b240647ef944cfe3dd5aa9 [0,2,0,0,0,0|0,0,0]=2 1075 B14R1.903 CC(C)c1nccnc1OCSC#N 48b76251f0e55000525975a94f54fb3c [0,2,0,0,0,0|0,0,1]=3 1076 B14R1.903 CC=CCNc1cccnc1C(C)C baa0fd9651ac652ed1b3979a5ee6ce20 [0,2,0,0,0,0|2,0,0]=4 1077 B14R1.903 CC=CCNc1ncccc1C(C)C 43ffc93f79038de7253b17011f9a4f9d [0,2,0,0,0,0|2,0,0]=4 1078 B14R1.903 CC=CCNc1nccnc1C(C)C 324aa37c2040e6a2abcd8086e835a803 [0,2,0,0,0,0|1,0,0]=3 1079 B14R1.903 CC=CCNc1nccnc1N(C)C 7b3ffd523810f6bb85d4c3fd5f50cc93 [0,2,0,0,0,0|2,0,0]=4 1080 B14R1.903 CCCCNc1cccnc1C(C)C 9dbc1175230975de69e319dc3da6c3f0 [0,2,0,0,0,0|2,0,0]=4 1081 B14R1.903 CCCCNc1ncccc1C(C)C babc265c6f724e21ee0ea26bda468f3d [0,2,0,0,0,0|2,0,0]=4 1082 B14R1.903 CCCCNc1nccnc1C(C)C e99f2067fd6a0fd26a465fb60287e37e [0,2,0,0,0,0|1,0,0]=3 1083 B14R1.903 CCCCNc1nccnc1N(C)C 31eb9f13a9a769defdf6d9cfe941bc14 [0,2,0,0,0,0|2,0,0]=4 1084 B14R1.903 CCCCOc1ccccc1C(C)C f58ab31cc9eef1c7f9f383ba19501960 [0,2,0,0,0,0|2,0,0]=4 1085 B14R1.903 CCCCOc1cccnc1C(C)C 421d3928b95df6edcfb009fdcc0b4a09 [0,2,0,0,0,0|1,0,0]=3 1086 B14R1.903 CCCCOc1cccnc1N(C)C 98fdb22cee35b4554f04dbbf8ad24d15 [0,2,0,0,0,0|2,0,0]=4 1087 B14R1.903 CCCCOc1nccnc1C(C)C 1f4744d3ac6e13c6bc280009d1c2dfd4 [0,2,0,0,0,0|0,0,0]=2 1088 B14R1.903 CCCNCc1ncccc1C(C)C 0469a8bed4d133b39f6ac384d69c3479 [0,2,0,0,0,0|2,0,0]=4 1089 B14R1.903 CCCOCc1ccccc1C(C)C 07205b4b194597e38fbe273e23d4d3dc [0,2,0,0,0,0|2,0,0]=4 1090 B14R1.903 CCCOCc1cccnc1C(C)C f04388e0a16c53440c364f2a7a3eef59 [0,2,0,0,0,0|1,0,0]=3 1091 B14R1.903 CCCOCc1cccnc1N(C)C 8a0ff8e2de32d77d863de65c5f94c364 [0,2,0,0,0,0|2,0,0]=4 1092 B14R1.903 CCCOCc1ncccc1C(C)C aa928129b5e09861236d3e015a8efb36 [0,2,0,0,0,0|1,0,0]=3 1093 B14R1.903 CCOCNc1cccnc1C(C)C e792761c4142ac1393ecbafe3fa18a7e [0,2,0,0,0,0|1,0,0]=3 1094 B14R1.903 CCOCNc1ncccc1C(C)C 51663847077a3ce6dad5aefef3e97e20 [0,2,0,0,0,0|1,0,0]=3 1095 B14R1.903 CCOCNc1ncccc1N(C)C b7a5e501925593b5e69ebb8daf189b8a [0,2,0,0,0,0|2,0,0]=4 1096 B14R1.903 CCOCNc1nccnc1C(=O)C f8e2b9285751f9ebb97030522f3da7a1 [0,2,0,0,0,0|1,0,1]=4 1097 B14R1.903 CCOCNc1nccnc1C(C)C 0c60b007408a3289c5fc2b5b9c7267e5 [0,2,0,0,0,0|0,0,0]=2 1098 B14R1.903 CCOCNc1nccnc1N(C)C 1f22ccbe32798d6aa9684081868af6b1 [0,2,0,0,0,0|1,0,0]=3 1099 B14R1.903 CCOCNc1nnccc1C(C)C f3f9efc55e7964396703cd464f65e453 [0,2,0,0,0,0|2,0,0]=4 1100 B14R1.903 CCOCOc1cccnc1C(C)C e2b4bb2cdf6a1e1cae44e7714b495c54 [0,2,0,0,0,0|1,0,0]=3 1101 B14R1.903 CCOCOc1nccnc1C(C)C 7c4541ac60d457b5b270fa7674e6f476 [0,2,0,0,0,0|0,0,0]=2 1102 B14R1.903 CN(C)c1ncccc1COCCF 3ddcabf8b37c2cd29c979b5c0b13299a [0,2,0,0,0,0|2,0,0]=4 1103 B14R1.903 CN(C)c1ncccc1COCCS 180b9109441045019c77c744576c4cf1 [0,2,0,0,0,0|2,0,0]=4 1104 B14R1.903 CN(C)c1ncccc1OCCC#N a4d28fb2cab24e2774c10e72a6110d00 [0,2,0,0,0,0|2,0,0]=4 1105 B14R1.903 CN(C)c1ncccc1OCCC=O 5af774a9e3aafa1b5ab386980a61e0cf [0,2,0,0,0,0|2,0,0]=4 1106 B14R1.903 CN(C)c1ncccc1OCCCF aa33f86fab6d04ff841559154d2aca7b [0,2,0,0,0,0|2,0,0]=4 1107 B14R1.903 CN(C)c1ncccc1OCCCS 2a7450c0ed3a9cc7e8634e6ea6ee5741 [0,2,0,0,0,0|2,0,0]=4 1108 B14R1.903 CN(C)c1nccnc1NCCC#N 77b1787ee3a2b7dcb4fd55fb824cec71 [0,2,0,0,0,0|2,0,0]=4 1109 B14R1.903 CN(C)c1nccnc1NCCC=O d4a4a231e1280ad050657a762424fd62 [0,2,0,0,0,0|2,0,0]=4 1110 B14R1.903 CN(C)c1nccnc1NCCCF aacf2be895b9cddfda3a5cb2a5032816 [0,2,0,0,0,0|2,0,0]=4 1111 B14R1.903 CN(C)c1nccnc1NCCCO ea39ada8436c255678ad7279b1348a59 [0,2,0,0,0,0|2,0,0]=4 1112 B14R1.903 CN(C)c1nccnc1NCCCS 8deff898eba7b18ecaaa4bac84ca9b30 [0,2,0,0,0,0|2,0,0]=4 1113 B14R1.903 CN(C)c1nccnc1NCCON 5ce9892af59bdb9d80c25779f485c159 [0,2,0,0,0,0|2,0,0]=4 1114 B14R1.903 COCCNc1cccnc1C(C)C f59e3f4f809f0182633de9f9f0719b9e [0,2,0,0,0,0|2,0,0]=4 1115 B14R1.903 COCCNc1ncccc1C(C)C 3615117ad5aa46d1209789af255eddef [0,2,0,0,0,0|2,0,0]=4 1116 B14R1.903 COCCNc1nccnc1C(C)C 8d40644a3a7c31ac8825a74b3202067e [0,2,0,0,0,0|1,0,0]=3 1117 B14R1.903 COCCNc1nccnc1N(C)C 8c8b56b57d3eb91ed21a093373116131 [0,2,0,0,0,0|2,0,0]=4 1118 B14R1.903 COCCOc1ccccc1C(C)C 5686665989dec1022f8f81659e4955e7 [0,2,0,0,0,0|2,0,0]=4 1119 B14R1.903 COCCOc1cccnc1C(C)C 53054b14e7709b6c5a36986a263c50c7 [0,2,0,0,0,0|1,0,0]=3 1120 B14R1.903 COCCOc1cccnc1N(C)C 3669362a8f923f6ce3f26088e1525df3 [0,2,0,0,0,0|2,0,0]=4 1121 B14R1.903 COCCOc1nccnc1C(C)C 8149d2fcf2696cfe6ca865d7040e900e [0,2,0,0,0,0|0,0,0]=2 1122 B14R1.903 COCOCc1ccccc1C(C)C a3d5c266596e79b107866a90da1d4c9c [0,2,0,0,0,0|2,0,0]=4 1123 B14R1.903 COCOCc1cccnc1C(C)C 20d7b1b313a10e0743be966597fd3b29 [0,2,0,0,0,0|1,0,0]=3 1124 B14R1.903 COCOCc1cccnc1N(C)C aa65f2433902fd9af5b383aed5900fac [0,2,0,0,0,0|2,0,0]=4 1125 B14R1.903 COCOCc1ncccc1C(C)C 65685ffccf18fb2ee5641046d0e43317 [0,2,0,0,0,0|1,0,0]=3 1126 B14R1.903 CSCCNc1cccnc1C(C)C 36012333e320efe53f8de745a4a33954 [0,2,0,0,0,0|2,0,0]=4 1127 B14R1.903 CSCCNc1ncccc1C(C)C b5d42ea7b84770bc03f9313389a31361 [0,2,0,0,0,0|2,0,0]=4 1128 B14R1.903 CSCCNc1nccnc1C(C)C a86e67ece49996bb2e04d8cca645dec9 [0,2,0,0,0,0|1,0,0]=3 1129 B14R1.903 CSCCNc1nccnc1N(C)C e732d410c21c1c8597be4359e967f8ef [0,2,0,0,0,0|2,0,0]=4 1130 B14R1.903 CSCCOc1ccccc1C(C)C 374f351b913646cf0e05096ed48f7541 [0,2,0,0,0,0|2,0,0]=4 1131 B14R1.903 CSCCOc1cccnc1C(C)C 7f3d2b95823268207ed853034e686ffb [0,2,0,0,0,0|1,0,0]=3 1132 B14R1.903 CSCCOc1cccnc1N(C)C 2d9c04a62e5ae82860a65c8eb1af3a91 [0,2,0,0,0,0|2,0,0]=4 1133 B14R1.903 CSCCOc1nccnc1C(C)C db663b22c5002734c1c0e07c9b75c825 [0,2,0,0,0,0|0,0,0]=2 1134 B14R1.903 CSCOCc1ccccc1C(C)C e2f099869d5c9a55ea8db037d0a13d68 [0,2,0,0,0,0|2,0,0]=4 1135 B14R1.903 CSCOCc1cccnc1C(C)C e0d186e2c51492f17cdfec3df0e18cd8 [0,2,0,0,0,0|1,0,0]=3 1136 B14R1.903 CSCOCc1cccnc1N(C)C 21cc0c5030858947685f5eff0f4d0369 [0,2,0,0,0,0|2,0,0]=4 1137 B14R1.903 CSCOCc1ncccc1C(C)C 26b2d2b790944305cfbd539e825cb0d4 [0,2,0,0,0,0|1,0,0]=3 1138 B14R1.3302 C#CC(C)Nc1nccnc1C(C)C 3221c29327311b9c56cccfb80806c794 [0,2,0,0,0,0|1,0,0]=3 1139 B14R1.3302 C#CC(C)Nc1nccnc1N(C)C 86f56f34fc72dec0ab9c8dbb86486c4f [0,2,0,0,0,0|2,0,0]=4 1140 B14R1.3302 C#CC(C)Oc1cccnc1C(C)C 7473fa3980ff07b42fb27d32cdae3203 [0,2,0,0,0,0|1,0,0]=3 1141 B14R1.3302 C=CC(C)Nc1cccnc1C(C)C 67b1045bb54c68bf8312be207ab83d5f [0,2,0,0,0,0|2,0,0]=4 1142 B14R1.3302 C=CC(C)Nc1ncccc1C(C)C 77aad9fb412fa3006be2d18328bd177e [0,2,0,0,0,0|2,0,0]=4 1143 B14R1.3302 C=CC(C)Nc1nccnc1C(C)C a5a72bf1d6106178a72ee833d967b2e4 [0,2,0,0,0,0|1,0,0]=3 1144 B14R1.3302 C=CC(C)Nc1nccnc1N(C)C 467a1f1adb0cbba1f1199fe8c8e7262d [0,2,0,0,0,0|2,0,0]=4 1145 B14R1.3302 C=CC(C)Oc1ccccc1C(C)C b8ac4d1691f846c01dec214f5c557643 [0,2,0,0,0,0|2,0,0]=4 1146 B14R1.3302 C=CC(C)Oc1cccnc1C(C)C f6b1996afa2cefe60fd1c56cfbb34cbc [0,2,0,0,0,0|1,0,0]=3 1147 B14R1.3302 C=CC(C)Oc1cccnc1N(C)C 8e4f57dd0009e9366ab33d0bf1b627c4 [0,2,0,0,0,0|2,0,0]=4 1148 B14R1.3302 C=CC(C)Oc1nccnc1C(C)C 7f8c8871c0cba47ed254118dd81917a7 [0,2,0,0,0,0|0,0,0]=2 1149 B14R1.3302 CC(C#N)Nc1nccnc1N(C)C a5eef425609104e086718e82285f9328 [0,2,0,0,0,0|2,0,0]=4 1150 B14R1.3302 CC(C#N)Oc1cccnc1C(C)C dff2480bc7ebb82cf3f1625c31ea0ad4 [0,2,0,0,0,0|1,0,0]=3 1151 B14R1.3302 CC(C)c1ccccc1O[C@H](C)C=O 58f5ab5108d5d10c4eb6252c8d3c7d3a [0,2,0,0,0,0|2,0,0]=4 1152 B14R1.3302 CC(C)c1cccnc1N[C@@H](C)CO 0688b3d8f1d907e6a1ea6071e2c5caed [0,2,0,0,0,0|2,0,0]=4 1153 B14R1.3302 CC(C)c1cccnc1N[C@H](C)C=O 6fa3043af058733db5a908c16e6c6f44 [0,2,0,0,0,0|2,0,0]=4 1154 B14R1.3302 CC(C)c1cccnc1N[C@H](C)CO a9203336fe443491fa9a69d4b009f55d [0,2,0,0,0,0|2,0,0]=4 1155 B14R1.3302 CC(C)c1ncccc1N[C@@H](C)CO a0e5198bdb792c1aca3355efef0edfe7 [0,2,0,0,0,0|2,0,0]=4 1156 B14R1.3302 CC(C)c1ncccc1N[C@H](C)C=O e0741af6a4b855cab03e539fdc87c354 [0,2,0,0,0,0|2,0,0]=4 1157 B14R1.3302 CC(C)c1ncccc1N[C@H](C)CO 17f490f88d0a1e5af590aa50fd060196 [0,2,0,0,0,0|2,0,0]=4 1158 B14R1.3302 CC(C)c1ncccc1OC(F)C#N 4550712200ba46533005465e1213f6a4 [0,2,0,0,0,0|1,0,1]=4 1159 B14R1.3302 CC(C)c1ncccc1O[C@H](C)C=O d2365771927c0437095e908e75b470f6 [0,2,0,0,0,0|1,0,0]=3 1160 B14R1.3302 CC(C)c1nccnc1NC(=O)CF bd7516235c8c6578e1d9c348a9d9e3d2 [0,2,0,0,0,0|1,0,1]=4 1161 B14R1.3302 CC(C)c1nccnc1NC(=O)CO f928851a433c2a348d0cdb11fb1c3765 [0,2,0,0,0,0|1,0,1]=4 1162 B14R1.3302 CC(C)c1nccnc1NC(=O)CS 3e4effdc74d354e62961d96f9619026a [0,2,0,0,0,0|1,0,1]=4 1163 B14R1.3302 CC(C)c1nccnc1NC(F)C#N 0fbf1ce532456f20ac837a5a80613759 [0,2,0,0,0,0|1,0,1]=4 1164 B14R1.3302 CC(C)c1nccnc1N[C@@H](C)CO f4a91e267e7bd48de1ec75101ffe8e10 [0,2,0,0,0,0|1,0,0]=3 1165 B14R1.3302 CC(C)c1nccnc1N[C@H](C)C=O 83228551518522cfda282468ade3840e [0,2,0,0,0,0|1,0,0]=3 1166 B14R1.3302 CC(C)c1nccnc1N[C@H](C)CO 11b7000af0b0867c141d6fcb0c32bf0e [0,2,0,0,0,0|1,0,0]=3 1167 B14R1.3302 CC(C)c1nccnc1O[C@H](C)C=O 7d3a1bee1d9653de81acdf95c7a1ad19 [0,2,0,0,0,0|0,0,0]=2 1168 B14R1.3302 CC(C=O)Nc1cccnc1C(C)C 127f8d2b8a53eab47bef380eadd7620c [0,2,0,0,0,0|2,0,0]=4 1169 B14R1.3302 CC(C=O)Nc1ncccc1C(C)C 466e153873016567551756fab48a1589 [0,2,0,0,0,0|2,0,0]=4 1170 B14R1.3302 CC(C=O)Nc1nccnc1C(C)C 0436438896c475a90181770d5bc73734 [0,2,0,0,0,0|1,0,0]=3 1171 B14R1.3302 CC(C=O)Nc1nccnc1N(C)C ea47ba68ca048ed21fef403ea5ba9a7d [0,2,0,0,0,0|2,0,0]=4 1172 B14R1.3302 CC(C=O)Oc1ccccc1C(C)C 7568f23604de7b6245efc7eeaa3343d5 [0,2,0,0,0,0|2,0,0]=4 1173 B14R1.3302 CC(C=O)Oc1cccnc1C(C)C 2a0c291bb242770e5a7ea064d24e3242 [0,2,0,0,0,0|1,0,0]=3 1174 B14R1.3302 CC(C=O)Oc1cccnc1N(C)C 1c499c17346e2c545fdf3678cf38c87a [0,2,0,0,0,0|2,0,0]=4 1175 B14R1.3302 CC(C=O)Oc1nccnc1C(C)C 3e54d3e12dde0933d69976d527e76684 [0,2,0,0,0,0|0,0,0]=2 1176 B14R1.3302 CC(CO)Nc1cccnc1C(C)C f73f64271d84a02c93ab1aab375e545f [0,2,0,0,0,0|2,0,0]=4 1177 B14R1.3302 CC(CO)Nc1ncccc1C(C)C 9e883b417ea9935e61782e31bad35728 [0,2,0,0,0,0|2,0,0]=4 1178 B14R1.3302 CC(CO)Nc1nccnc1C(C)C 20eac3ba8aed8a273b27e25445b84ae3 [0,2,0,0,0,0|1,0,0]=3 1179 B14R1.3302 CC(CO)Nc1nccnc1N(C)C 8482fa0e0616eaeee64bbd2ab5cead75 [0,2,0,0,0,0|2,0,0]=4 1180 B14R1.3302 CCC(=O)Nc1cccnc1C(C)C c11a08240082a8b7178dc7b6c25a333d [0,2,0,0,0,0|2,0,0]=4 1181 B14R1.3302 CCC(=O)Nc1ncccc1C(C)C 5a4be963d03eadae933a307e23c61628 [0,2,0,0,0,0|2,0,0]=4 1182 B14R1.3302 CCC(=O)Nc1nccnc1C(C)C ed611937aea80a6689b9153a4a2208f6 [0,2,0,0,0,0|1,0,0]=3 1183 B14R1.3302 CCC(=O)Nc1nccnc1N(C)C fe8d99b00c18002c580e46ceada7cdaa [0,2,0,0,0,0|2,0,0]=4 1184 B14R1.3302 CCC(C)Nc1cccnc1C(C)C d98e877744e145ff21cf2e7c0e9b6bd5 [0,2,0,0,0,0|2,0,0]=4 1185 B14R1.3302 CCC(C)Nc1ncccc1C(C)C 8d6e99d7fe301325310a736fcdf09992 [0,2,0,0,0,0|2,0,0]=4 1186 B14R1.3302 CCC(C)Nc1nccnc1C(C)C a13699f15305b1630ed186564707fe6e [0,2,0,0,0,0|1,0,0]=3 1187 B14R1.3302 CCC(C)Nc1nccnc1N(C)C 06fa5554ecca37e6eba36b5259cdcb94 [0,2,0,0,0,0|2,0,0]=4 1188 B14R1.3302 CCC(C)Oc1ccccc1C(C)C 384a750b339d031e18be9a76cb755f21 [0,2,0,0,0,0|2,0,0]=4 1189 B14R1.3302 CCC(C)Oc1cccnc1C(C)C 7ee93526ca54614e351d946126d5fd72 [0,2,0,0,0,0|1,0,0]=3 1190 B14R1.3302 CCC(C)Oc1cccnc1N(C)C 89d5bb1f27cfe5b5847277be9565d64c [0,2,0,0,0,0|2,0,0]=4 1191 B14R1.3302 CCC(C)Oc1nccnc1C(C)C 689d01fc805bc42b293ea1e5d58cf76e [0,2,0,0,0,0|0,0,0]=2 1192 B14R1.3302 CCN(C)Cc1ncccc1C(C)C 6119d86af33f17adc8c648e360f79062 [0,2,0,0,0,0|2,0,0]=4 1193 B14R1.3302 CC[C@@H](C)Nc1nccnc1N(C)C f8c4abeb0a9ab65a815e69e00ba70a47 [0,2,0,0,0,0|2,0,0]=4 1194 B14R1.3302 CC[C@H](C)Nc1nccnc1N(C)C cfae4a8bcbe8462b51f0631334c4da64 [0,2,0,0,0,0|2,0,0]=4 1195 B14R1.3302 C[C@@H](CO)Nc1nccnc1N(C)C 3d11c18b73c51dbb36d2480dcdc24610 [0,2,0,0,0,0|2,0,0]=4 1196 B14R1.3302 C[C@H](C=O)Nc1nccnc1N(C)C 50f6c0d180700676ede2428958c25064 [0,2,0,0,0,0|2,0,0]=4 1197 B14R1.3302 C[C@H](C=O)Oc1cccnc1N(C)C a73155647b051fbf1f46731ababba867 [0,2,0,0,0,0|2,0,0]=4 1198 B14R1.3302 C[C@H](CO)Nc1nccnc1N(C)C 9f843f98e612319b436aa09abc8c5c44 [0,2,0,0,0,0|2,0,0]=4 1199 B14R1.4432 CC(C)c1c(cccc1OCCF)F 74c95553c68f63b9db1903acd2b2730a [0,2,0,0,0,0|2,0,0]=4 1200 B14R1.4432 CC(C)c1c(cccc1OCCS)F 2e513613037f2518d58fc7060d825206 [0,2,0,0,0,0|2,0,0]=4 1201 B14R1.4432 CC(C)c1c(nc[nH]c1=O)OCCF 29dd1116ddfdb2046e2bb0db8c43c9a3 [0,2,0,0,0,0|2,0,0]=4 1202 B14R1.4432 CC(C)c1c(nc[nH]c1=O)OCCS 03761ab270fe1de2b41722eb3181ccab [0,2,0,0,0,0|2,0,0]=4 1203 B14R1.4432 CCCOc1cccc(c1C(C)C)F 9b3a7b467240bf0358ede68c03bc2ca7 [0,2,0,0,0,0|2,0,0]=4 1204 B14R1.4432 CCCOc1nc[nH]c(=O)c1C(C)C 2c58a3f274bfb8a6ca2f3f5290832acd [0,2,0,0,0,0|2,0,0]=4 1205 B14R1.4432 COCOc1cccc(c1C(C)C)F 4cd362709444ed7c206279757249dfdb [0,2,0,0,0,0|2,0,0]=4 1206 B14R1.4432 COCOc1nc[nH]c(=O)c1C(C)C 66b947409faa5421997015ef6683f434 [0,2,0,0,0,0|2,0,0]=4 1207 B14R1.4432 CSCOc1cccc(c1C(C)C)F 745fa9dec6ca9955d84a1e6e52384579 [0,2,0,0,0,0|2,0,0]=4 1208 B14R1.4432 CSCOc1nc[nH]c(=O)c1C(C)C cc11087ea80f9d169457739ab587e2e2 [0,2,0,0,0,0|2,0,0]=4 1209 B14R1.4522 C=C(Br)CNc1nccnc1C(C)C 2dd1e98a99e59582c02cbdec36be3207 [0,2,0,0,0,0|1,0,1]=4 1210 B14R1.4522 C=C(Br)COc1cccnc1C(C)C 097f26dda67bed1073bec8cab69db3b4 [0,2,0,0,0,0|1,0,1]=4 1211 B14R1.4522 C=C(Br)COc1nccnc1C(C)C 493c0f99ecaf40172152cb6afb5813cc [0,2,0,0,0,0|0,0,1]=3 1212 B14R1.4522 C=C(C)CNc1cccnc1C(C)C 0f3d6c6dc2b64a57ee7d2f2b3358800c [0,2,0,0,0,0|2,0,0]=4 1213 B14R1.4522 C=C(C)CNc1ncccc1C(C)C 1f2ae0c0596ea67c2891f9eb35b7102f [0,2,0,0,0,0|2,0,0]=4 1214 B14R1.4522 C=C(C)CNc1nccnc1C(C)C 30917d86a7f941e0886a8727ff2fddf1 [0,2,0,0,0,0|1,0,0]=3 1215 B14R1.4522 C=C(C)CNc1nccnc1N(C)C 3c9afedc192c795ad7b7d36f4aef84b4 [0,2,0,0,0,0|2,0,0]=4 1216 B14R1.4522 C=C(C)COc1ccccc1C(C)C cccea273b1f04ddba0a80ab0b74ba944 [0,2,0,0,0,0|2,0,0]=4 1217 B14R1.4522 C=C(C)COc1cccnc1C(C)C 67364b43a97dec7105a6d0232f0f81be [0,2,0,0,0,0|1,0,0]=3 1218 B14R1.4522 C=C(C)COc1cccnc1N(C)C ab7319469ab25e68b44673c0e596de72 [0,2,0,0,0,0|2,0,0]=4 1219 B14R1.4522 C=C(C)COc1nccnc1C(C)C f441d3b0b5aa4570dfe74c5aae1142b7 [0,2,0,0,0,0|0,0,0]=2 1220 B14R1.4522 C=C(Cl)CNc1nccnc1C(C)C 5c9942e579b4f2d46a26d264f506cb2a [0,2,0,0,0,0|1,0,1]=4 1221 B14R1.4522 C=C(Cl)COc1cccnc1C(C)C aa660967b6bf18f12ba59dc602847169 [0,2,0,0,0,0|1,0,1]=4 1222 B14R1.4522 C=C(Cl)COc1nccnc1C(C)C 2b6f11dc2fd7e8d43e972beefd74bb88 [0,2,0,0,0,0|0,0,1]=3 1223 B14R1.4522 C=C(F)CNc1nccnc1C(C)C ebd7975c9640163885ed0f440dd74836 [0,2,0,0,0,0|1,0,1]=4 1224 B14R1.4522 C=C(F)COc1cccnc1C(C)C b8c9c4b7e31ee117c6c87e891e8366ee [0,2,0,0,0,0|1,0,1]=4 1225 B14R1.4522 C=C(F)COc1nccnc1C(C)C b41efd0d08122be22d4fbf9ab5423346 [0,2,0,0,0,0|0,0,1]=3 1226 B14R1.4522 CC(=O)CNc1ncccc1C(C)C 663ba3c2eb8d4355f4115afaf71b4b62 [0,2,0,0,0,0|2,0,0]=4 1227 B14R1.4522 CC(=O)CNc1nccnc1C(C)C e46d658b0e93d84d312bec7a77f5346f [0,2,0,0,0,0|1,0,0]=3 1228 B14R1.4522 CC(=O)CNc1nccnc1N(C)C f00d7b1bad2bf209a25e6ed3500d29d8 [0,2,0,0,0,0|2,0,0]=4 1229 B14R1.4522 CC(C)CNc1cccnc1C(C)C 641e8486b96025388d66c42b6b2e564c [0,2,0,0,0,0|2,0,0]=4 1230 B14R1.4522 CC(C)CNc1ncccc1C(C)C 262421f2805f59e5e22121999f96980e [0,2,0,0,0,0|2,0,0]=4 1231 B14R1.4522 CC(C)CNc1nccnc1C(C)C c23b59f898a6ae4972266cbc6a9569e9 [0,2,0,0,0,0|1,0,0]=3 1232 B14R1.4522 CC(C)CNc1nccnc1N(C)C 59ff086348c48f2f512a08e2be5ada67 [0,2,0,0,0,0|2,0,0]=4 1233 B14R1.4522 CC(C)COc1ccccc1C(C)C 2d73ff5c5ae244249aefba936dd326fc [0,2,0,0,0,0|2,0,0]=4 1234 B14R1.4522 CC(C)COc1cccnc1C(C)C 2d1eb9688d8a00a1a68e2cdf1956d258 [0,2,0,0,0,0|1,0,0]=3 1235 B14R1.4522 CC(C)COc1cccnc1N(C)C e681a764c8b5ffa4d81c4bb72d5b95be [0,2,0,0,0,0|2,0,0]=4 1236 B14R1.4522 CC(C)COc1nccnc1C(C)C 03395e4e6e530846eeb5856ca7a7d419 [0,2,0,0,0,0|0,0,0]=2 1237 B14R1.4522 CC(C)OCc1ccccc1C(C)C 43b9d0e6cb5c80e8a699fa2648ec3b1c [0,2,0,0,0,0|2,0,0]=4 1238 B14R1.4522 CC(C)OCc1cccnc1C(C)C aa908004f855e498cdb0651a444da4a3 [0,2,0,0,0,0|1,0,0]=3 1239 B14R1.4522 CC(C)OCc1cccnc1N(C)C e7e5711f61a9301faf7d1cdfb1ab638c [0,2,0,0,0,0|2,0,0]=4 1240 B14R1.4522 CC(C)OCc1ncccc1C(C)C 74724a3dd0e05022c83d3adb8c0dab1f [0,2,0,0,0,0|1,0,0]=3 1241 B14R1.4522 CC(C)c1ccccc1OCC(F)F 967627c6806e9de8f6dc09e8d9ef288d [0,2,0,0,0,0|2,0,0]=4 1242 B14R1.4522 CC(C)c1cccnc1NCC(F)F 06b79ad497ca7837b28406cbda0a4ea1 [0,2,0,0,0,0|2,0,0]=4 1243 B14R1.4522 CC(C)c1cccnc1NCN(C)C 746b3f411baabc5b3633e6d30ab5b8ad [0,2,0,0,0,0|2,0,0]=4 1244 B14R1.4522 CC(C)c1cccnc1NC[C@H](C)O f2159fb846473e94a112f798a28674b5 [0,2,0,0,0,0|2,0,0]=4 1245 B14R1.4522 CC(C)c1ncccc1NCC(F)F 306c820764beea230858089e04f2556f [0,2,0,0,0,0|2,0,0]=4 1246 B14R1.4522 CC(C)c1ncccc1NCN(C)C 51fedd3e62562db392b154b61ac40586 [0,2,0,0,0,0|2,0,0]=4 1247 B14R1.4522 CC(C)c1ncccc1NC[C@@H](C)O 0641cea1f85715a692df81aa3f9a09b2 [0,2,0,0,0,0|2,0,0]=4 1248 B14R1.4522 CC(C)c1ncccc1NC[C@H](C)O 8a755b4b1af2fef592d9de970ead3464 [0,2,0,0,0,0|2,0,0]=4 1249 B14R1.4522 CC(C)c1ncccc1OCC(=O)N 9a50a389d674f1427641c13df5a81714 [0,2,0,0,0,0|1,0,1]=4 1250 B14R1.4522 CC(C)c1ncccc1OCC(=O)O 73d3781e10321abdb14e31e45affc4db [0,2,0,0,0,0|1,0,1]=4 1251 B14R1.4522 CC(C)c1ncccc1OCC(F)F 2c7fc612fac2105051a42f13b0a97ace [0,2,0,0,0,0|1,0,0]=3 1252 B14R1.4522 CC(C)c1ncccc1OCN(C)C ae7c13fc60623d06fb1698a65be317bb [0,2,0,0,0,0|1,0,0]=3 1253 B14R1.4522 CC(C)c1ncccc1OC[N+](=O)[O-] 426811784bba81122da44b187ac33ea1 [0,2,0,0,0,0|2,0,0]=4 1254 B14R1.4522 CC(C)c1nccnc1NCC(=O)N 0eb88f62456aa0f12623cf21eae635c5 [0,2,0,0,0,0|1,0,1]=4 1255 B14R1.4522 CC(C)c1nccnc1NCC(=O)O 94cc16950782cd4b32a442b8cf8c127e [0,2,0,0,0,0|1,0,1]=4 1256 B14R1.4522 CC(C)c1nccnc1NCC(F)F 7af7711876e357bbdb96508b5a4605c6 [0,2,0,0,0,0|1,0,0]=3 1257 B14R1.4522 CC(C)c1nccnc1NCN(C)C 286140f47e16bec87a788cd0c93866f9 [0,2,0,0,0,0|1,0,0]=3 1258 B14R1.4522 CC(C)c1nccnc1NC[C@@H](C)O c0df9bbdb15ddee660fb2d4c1a12ba73 [0,2,0,0,0,0|1,0,0]=3 1259 B14R1.4522 CC(C)c1nccnc1NC[C@H](C)O 9df13668bee8cd27d80ab39c26a6ffa3 [0,2,0,0,0,0|1,0,0]=3 1260 B14R1.4522 CC(C)c1nccnc1NC[N+](=O)[O-] 66cdac2405b55366f666e337882d38db [0,2,0,0,0,0|2,0,0]=4 1261 B14R1.4522 CC(C)c1nccnc1OCC(=O)N 9bc9febd0e5aa318cb2124e27bd7b4d1 [0,2,0,0,0,0|0,0,1]=3 1262 B14R1.4522 CC(C)c1nccnc1OCC(=O)O 810b937777a2eb58d908188407a4a80f [0,2,0,0,0,0|0,0,1]=3 1263 B14R1.4522 CC(C)c1nccnc1OCC(F)F 9ee15958bf680fe64a1f9e6d03eafa5f [0,2,0,0,0,0|0,0,0]=2 1264 B14R1.4522 CC(C)c1nccnc1OCN(C)C 0a3f7c3b86bcd626d40de8acc28bcf98 [0,2,0,0,0,0|0,0,0]=2 1265 B14R1.4522 CC(C)c1nccnc1OC[N+](=O)[O-] e28ccb4c1270d404b5bf4ce6256f2ec9 [0,2,0,0,0,0|1,0,0]=3 1266 B14R1.4522 CC(O)CNc1cccnc1C(C)C 68d270ee1884cbc87666113e03d1ab46 [0,2,0,0,0,0|2,0,0]=4 1267 B14R1.4522 CC(O)CNc1ncccc1C(C)C f774ce88fc3eb7aded608c575cb8bb79 [0,2,0,0,0,0|2,0,0]=4 1268 B14R1.4522 CC(O)CNc1nccnc1C(C)C 20dd05feb353782c784f3a550f3ccce9 [0,2,0,0,0,0|1,0,0]=3 1269 B14R1.4522 CC(O)CNc1nccnc1N(C)C 0ebc1ac2a8481f81d4101a8f7306c822 [0,2,0,0,0,0|2,0,0]=4 1270 B14R1.4522 CN(C)CNc1nccnc1N(C)C 87300f88e84ace9f72d2a426ca1065ca [0,2,0,0,0,0|2,0,0]=4 1271 B14R1.4522 CN(C)COc1cccnc1N(C)C b10961e6b71abb36c5dcd972e8c0d7d1 [0,2,0,0,0,0|2,0,0]=4 1272 B14R1.4522 CN(C)c1ncccc1OCC(F)F 954b4ba13a61fcf4913e9167126b265b [0,2,0,0,0,0|2,0,0]=4 1273 B14R1.4522 CN(C)c1nccnc1NCC(F)F 460e574b64510807b28692554a33b04d [0,2,0,0,0,0|2,0,0]=4 1274 B14R1.4522 C[C@@H](O)CNc1nccnc1N(C)C 55923df9b277657b49ff3f87f3fe2f70 [0,2,0,0,0,0|2,0,0]=4 1275 B14R1.4522 C[C@H](O)CNc1nccnc1N(C)C 07701a50d21e87d6f2e05771138cb63a [0,2,0,0,0,0|2,0,0]=4 1276 B14R1.7480 CC(C)c1cccc(c1OCCF)Cl 0f98ab0833d2173f6f40aa3514ce8568 [0,2,0,0,0,0|2,0,0]=4 1277 B14R1.7480 CC(C)c1cccc(c1OCCS)Cl 31cad0c460e2ae41546e5d71913c9dac [0,2,0,0,0,0|2,0,0]=4 1278 B14R1.7480 CC(C)c1nccc(c1NCCF)I 9003b3f2e06c56da584188470258f7f9 [0,2,0,0,0,0|2,0,0]=4 1279 B14R1.7480 CC(C)c1nccc(c1NCCO)I 48d0c33420b48606e465ab889e8825c6 [0,2,0,0,0,0|2,0,0]=4 1280 B14R1.7480 CC(C)c1nccc(c1NCCS)I f7861014bc3c962dd8c01cdd5c19b39c [0,2,0,0,0,0|2,0,0]=4 1281 B14R1.7480 CCCNc1c(ccnc1C(C)C)C 4911c49de6f681e52a323c5ef9637581 [0,2,0,0,0,0|2,0,0]=4 1282 B14R1.7480 CCCNc1c(ccnc1C(C)C)I ce0029830a5757ed96ada0fca7f8a84d [0,2,0,0,0,0|2,0,0]=4 1283 B14R1.7480 CCCOc1c(cccc1C(C)C)C 05390e4ada20adcc0f5c30205e1996e0 [0,2,0,0,0,0|2,0,0]=4 1284 B14R1.7480 CCCOc1c(cccc1C(C)C)Cl 6f80a64fa7036e532d83ce971afe9d5e [0,2,0,0,0,0|2,0,0]=4 1285 B14R1.7480 CCCOc1c(cccc1C(C)C)I c31818228ccf60994224554f222634fb [0,2,0,0,0,0|2,0,0]=4 1286 B14R1.7480 COCNc1c(ccnc1C(C)C)C c801d6c1709e1c18bcaf3c45edf3cfdf [0,2,0,0,0,0|2,0,0]=4 1287 B14R1.7480 COCNc1c(ccnc1C(C)C)I a7645febedaa5c2a0d8e512da6cd7c3f [0,2,0,0,0,0|2,0,0]=4 1288 B14R1.7480 COCOc1c(cccc1C(C)C)C 199027396647287be92ca57a26142cc7 [0,2,0,0,0,0|2,0,0]=4 1289 B14R1.7480 COCOc1c(cccc1C(C)C)Cl 184ba57034bfb91ddbfb80985d7f83ca [0,2,0,0,0,0|2,0,0]=4 1290 B14R1.7480 CSCNc1c(ccnc1C(C)C)C 5bf0d79bb68c2d125fc7b1c704c74936 [0,2,0,0,0,0|2,0,0]=4 1291 B14R1.7480 CSCNc1c(ccnc1C(C)C)I f995c38dbebb414082b2633a17c607e4 [0,2,0,0,0,0|2,0,0]=4 1292 B14R1.7480 CSCOc1c(cccc1C(C)C)C 434b915e295a353a19ae1910f8fadf40 [0,2,0,0,0,0|2,0,0]=4 1293 B14R1.7480 CSCOc1c(cccc1C(C)C)Cl d1c3c205972a164d98aaccb1b995a262 [0,2,0,0,0,0|2,0,0]=4 1294 B14R1.7480 CSCOc1c(cccc1C(C)C)I d51c7e2f86fd66bc3a4dcf06da1caaa9 [0,2,0,0,0,0|2,0,0]=4 1295 B14R1.7480 Cc1cccc(c1OCCF)C(C)C 30f12b915b9cb7acfbc913b3c66ae438 [0,2,0,0,0,0|2,0,0]=4 1296 B14R1.7480 Cc1cccc(c1OCCS)C(C)C 7f52cdfbfea61e7cc30f7d68fddc7278 [0,2,0,0,0,0|2,0,0]=4 1297 B14R1.7480 Cc1ccnc(c1NCCF)C(C)C e1264cfdf511a7d1edab5f64227dc886 [0,2,0,0,0,0|2,0,0]=4 1298 B14R1.7480 Cc1ccnc(c1NCCO)C(C)C 062b379baba072892f706711d7f5cad0 [0,2,0,0,0,0|2,0,0]=4 1299 B14R1.7480 Cc1ccnc(c1NCCS)C(C)C 4f3061fbfa8038d5ee02ff030f057802 [0,2,0,0,0,0|2,0,0]=4 1300 B14R1.4894 CC(C)Nc1c(ccnc1C(C)C)I e5fce4e7dfbb6f7720815357aed7931b [0,2,0,0,0,0|2,0,0]=4 1301 B14R1.4894 Cc1cccc(c1OC(C)C)C(C)C 87c82f7f6c92c4d1c0884d976ae5a9ee [0,2,0,0,0,0|2,0,0]=4 1302 B14R1.4894 Cc1ccnc(c1NC(C)C)C(C)C 91d08c99a631cafeea776da74079ea99 [0,2,0,0,0,0|2,0,0]=4 1303 B14R1.4926 CC(C)Oc1cccc(c1C(C)C)F 4e916ee18d148270999d843a676ba3f0 [0,2,0,0,0,0|2,0,0]=4 1304 B14R1.4926 CC(C)Oc1nc[nH]c(=O)c1C(C)C 69614099e0680aad660d7ccabd28879a [0,2,0,0,0,0|2,0,0]=4 1305 B14R1.5565 CCOc1cccc(c1C(C)C)C#N b383cc6857a43b38c670054a1c52c171 [0,2,0,0,0,0|2,0,0]=4 1306 B14R1.3100 CCOc1c(cccc1C(C)C)C=O 1c3c2ce4a61090b2939b6d7c42f42a34 [0,2,0,0,0,0|2,0,0]=4 1307 B12R2.1 CCN1CCc2c1cccn2 c6dc67a825bc35ffc313764f68fe419e [1,0,0,1,0,0|2,0,0]=4 1308 B12R2.1 CCN1CCc2c1nccc2 12def77c50510f33b92190b9b59aae18 [1,0,0,1,0,0|2,0,0]=4 1309 B12R2.1 CCN1CCc2c1nccn2 3a03a9b80da9220833252a85218386b2 [1,0,0,1,0,0|1,0,0]=3 1310 B12R2.1 FCN1CCc2c1nccn2 532a8beac2385f30a7dcaf6c6a577405 [1,0,0,1,0,0|2,0,0]=4 1311 B12R2.1 OCN1CCc2c1nccn2 f033df3ade04e8da35a0353fed6500eb [1,0,0,1,0,0|2,0,0]=4 1312 B12R2.2274 CCNc1c[nH]nc1C2CC2 f06126b27b4d6c901071d03d50962899 [0,0,0,1,1,0|2,0,0]=4 1313 B12R2.2274 CCNc1ccnn1C2CC2 2a2d0eeea113e138aa0af602670daded [0,0,0,1,1,0|2,0,0]=4 1314 B12R2.2274 CCNc1n[nH]cc1C2CC2 e2882aa8b7fd7ca22dc239552cc9f5df [0,0,0,1,1,0|2,0,0]=4 1315 B14R2.642 CC(C)N1c2ncccc2CC1C 2f132240380f338a9d6d4a6d313b4150 [0,0,0,1,0,1|2,0,0]=4 1316 B14R2.1146 CCN1CC(Oc2c1nccc2)C b727640c30916063a8bdde2e35d5a293 [0,0,0,1,0,1|2,0,0]=4 1317 B14R2.3102 CCOc1cccnc1NC2CC2 a0a263631160f4ce07650ad2cd611bc2 [0,0,0,1,0,1|1,0,0]=3 1318 B14R2.3102 CCOc1cncnc1NC2CC2 6dbefef50989e560aa42d6ed4549d257 [0,0,0,1,0,1|2,0,0]=4 1319 B14R2.3102 CCOc1nccnc1NC2CC2 3ed26b48d211e7a13e250490ed6a03ca [0,0,0,1,0,1|0,0,0]=2 1320 B14R2.9440 CC(C)Nc1cccc2c1OCC2 b19654b2a3254cb818f26defeb3c081a [0,0,0,1,0,1|2,0,0]=4 1321 B14R2.9440 CC(C)Oc1cccc2c1OCC2 c42766b015f3e8bd13af87c2b3862616 [0,0,0,1,0,1|2,0,0]=4 1322 B14R2.9577 CC(C)Nc1cccnc1C2CC2 8c3dddd5a08009bd62be2c4c5f2502c0 [0,0,0,1,0,1|2,0,0]=4 1323 B14R2.9577 CC(C)Nc1ncccc1C2CC2 6282d0ed143db822267bdc24b6640af9 [0,0,0,1,0,1|2,0,0]=4 1324 B14R2.9577 CC(C)Nc1nccnc1C2CC2 08228ab31fd1a939dc0823e2c8429048 [0,0,0,1,0,1|1,0,0]=3 1325 B14R2.9577 CC(C)Oc1cccnc1C2CC2 a35aea7691a89c30e6dddbf714d43603 [0,0,0,1,0,1|2,0,0]=4 1326 B14R2.31359 CC(C)N1CCCc2c1cccn2 b7c67e7bd20f5ef9cb9a32b81d2e0faf [0,0,0,1,0,1|2,0,0]=4 1327 B14R2.31359 CC(C)N1CCCc2c1nccc2 f6c4f7cf706bd743b488d92813e3395b [0,0,0,1,0,1|2,0,0]=4 1328 B14R2.31359 CC(C)N1CCOc2c1cccc2 0cb4a744770ce35e8c477d141e5b21d3 [0,0,0,1,0,1|2,0,0]=4 1329 B14R2.31359 CC(C)N1CCOc2c1cccn2 345274477209a8e697f2fe255076bbaf [0,0,0,1,0,1|1,0,0]=3 1330 B14R2.31359 CC(C)N1CCOc2c1nccc2 a2ce7ad9a7ec3bb28d5d7d753fc2fe47 [0,0,0,1,0,1|1,0,0]=3 1331 B14R2.31359 CC(C)N1CCSc2c1cccn2 927bb8bbde3cad62639572d981d666ec [0,0,0,1,0,1|1,1,0]=4 1332 B14R2.265 CCNc1ncc(cc1C2CC2)Br fc4da257451aa3dd0ddfde4f12844e0a [0,1,0,1,0,0|2,0,0]=4 1333 B14R2.265 CCNc1ncc(nc1C2CC2)Br 591f5f97d0d0ba1969374d64a494f614 [0,1,0,1,0,0|1,0,0]=3 1334 B14R2.265 CCOc1ccc(cc1C2CC2)Br a5665d2d9943e3a76f66ba5da83b3080 [0,1,0,1,0,0|2,0,0]=4 1335 B14R2.265 CCOc1ccc(cc1C2CC2)F 5e1fbb7cf85bf1b2a77128a41d63b52e [0,1,0,1,0,0|2,0,0]=4 1336 B14R2.265 FCNc1ncc(nc1C2CC2)Br a574c6126ae52b9c6c37971e71ffb62d [0,1,0,1,0,0|2,0,0]=4 1337 B14R2.265 OCNc1ncc(nc1C2CC2)Br 9bc140ded04d72375354d5e9f1fc035f [0,1,0,1,0,0|2,0,0]=4 1338 B14R2.7555 CCNc1nc(ccc1C2CC2)Br 60eaec6ff87976c44c6c0d22a6d675b0 [0,1,0,1,0,0|2,0,0]=4 1339 B14R2.7555 CCOc1cc(ccc1C2CC2)F bb7ed54f422703076aba68fc1d0ef117 [0,1,0,1,0,0|2,0,0]=4 1340 B14R2.45179 CCN1CC(c2c1nccc2)(C)C 7297427413551de52116e077156c43a6 [0,1,0,1,0,0|2,0,0]=4 1341 B14R2.6558 CCOc1ccccc1C2CCC2 40e1623346846cb83c49af901b5f1651 [0,1,0,1,0,0|2,0,0]=4 1342 B14R2.868 BrCCNc1ncccc1C2CC2 fa9b1658e43b4174631ce67e152400c0 [0,1,0,1,0,0|2,0,0]=4 1343 B14R2.868 C#CCNc1nccnc1C2CC2 13f44007c389ae6c4d66d95fe57d553c [0,1,0,1,0,0|1,0,1]=4 1344 B14R2.868 C#CCOc1cccnc1C2CC2 ca88518b21469368f8412cf93b8c66d9 [0,1,0,1,0,0|1,0,1]=4 1345 B14R2.868 C=CCNc1nccnc1C2CC2 101a6bd1523962de8bfddc5a7dc2ff86 [0,1,0,1,0,0|1,0,1]=4 1346 B14R2.868 C=CCOc1cccnc1C2CC2 ffaeeb2656374441857a5e356daa52ee [0,1,0,1,0,0|1,0,1]=4 1347 B14R2.868 CCCNc1cccnc1C2CC2 3425ba6e30b81608fa63b88ccf960860 [0,1,0,1,0,0|2,0,0]=4 1348 B14R2.868 CCCNc1ncccc1C2CC2 bd9829852dccbcc108ae50beb1d65915 [0,1,0,1,0,0|2,0,0]=4 1349 B14R2.868 CCCNc1nccnc1C2CC2 cb1b90422f63fad1a20bd41a0ce8cf8b [0,1,0,1,0,0|1,0,0]=3 1350 B14R2.868 CCCOc1ccccc1C2CC2 00eb141b08b5b802ca09475982ecc987 [0,1,0,1,0,0|2,0,0]=4 1351 B14R2.868 CCCOc1cccnc1C2CC2 b68242c8bbc350955c10b439456e0e95 [0,1,0,1,0,0|1,0,0]=3 1352 B14R2.868 CCNCc1ncccc1C2CC2 d80f75937d4bd8e861a7cce74622163f [0,1,0,1,0,0|2,0,0]=4 1353 B14R2.868 CCOCc1ccccc1C2CC2 3f1cb7389dae75b032ac492f37b33ddf [0,1,0,1,0,0|2,0,0]=4 1354 B14R2.868 COCNc1cccnc1C2CC2 27c7f86289a4f366eeee7208aa04e53f [0,1,0,1,0,0|2,0,0]=4 1355 B14R2.868 COCNc1ncccc1C2CC2 fdfce4bddadd2f39c0ebafe3dae0ba06 [0,1,0,1,0,0|2,0,0]=4 1356 B14R2.868 COCNc1nccnc1C2CC2 340209897d5516430e9cb1a06426d4d7 [0,1,0,1,0,0|1,0,0]=3 1357 B14R2.868 COCOc1ccccc1C2CC2 aa4c43ce639806676e318ecc78912e85 [0,1,0,1,0,0|2,0,0]=4 1358 B14R2.868 COCOc1cccnc1C2CC2 e4eb868c7b91e617eb887b3437b212f5 [0,1,0,1,0,0|1,0,0]=3 1359 B14R2.868 CSCNc1cccnc1C2CC2 b8e0fc23532f749640e0ee9bbbeae86a [0,1,0,1,0,0|2,0,0]=4 1360 B14R2.868 CSCNc1ncccc1C2CC2 80cf96b387193516b7274536138e1b71 [0,1,0,1,0,0|2,0,0]=4 1361 B14R2.868 CSCNc1nccnc1C2CC2 e69b6176fd182850a0a7fefa7127561e [0,1,0,1,0,0|1,0,0]=3 1362 B14R2.868 CSCOc1ccccc1C2CC2 d6938707927e024bb12aa9524809c859 [0,1,0,1,0,0|2,0,0]=4 1363 B14R2.868 CSCOc1cccnc1C2CC2 51932e4b287b5e3ebe3502b9d736b301 [0,1,0,1,0,0|1,0,0]=3 1364 B14R2.868 FCCNc1cccnc1C2CC2 6266394341225c751e5073fdc13c2fd6 [0,1,0,1,0,0|2,0,0]=4 1365 B14R2.868 FCCNc1ncccc1C2CC2 35ef1cb41697243d6e90b8db0bdbc308 [0,1,0,1,0,0|2,0,0]=4 1366 B14R2.868 FCCNc1nccnc1C2CC2 65a1748cb2a7c263305dc2be5d2a0278 [0,1,0,1,0,0|1,0,0]=3 1367 B14R2.868 FCCOc1ccccc1C2CC2 39adbbb91c9c8d090b8cc97c064efa74 [0,1,0,1,0,0|2,0,0]=4 1368 B14R2.868 FCCOc1cccnc1C2CC2 66c79bcdab3bfd54891de47ce307e518 [0,1,0,1,0,0|1,0,0]=3 1369 B14R2.868 N#CCNc1nccnc1C2CC2 1e90848a6a89eceab49517792ee8231d [0,1,0,1,0,0|1,0,1]=4 1370 B14R2.868 N#CCOc1cccnc1C2CC2 60a9c71055bae970016d7ae528fff7c0 [0,1,0,1,0,0|1,0,1]=4 1371 B14R2.868 O=CCNc1nccnc1C2CC2 313c14ce33a03acc89c61da4e2f7466e [0,1,0,1,0,0|1,0,1]=4 1372 B14R2.868 O=CCOc1cccnc1C2CC2 0f89402510a49b5346b80f81b72d7283 [0,1,0,1,0,0|1,0,1]=4 1373 B14R2.868 OCCNc1cccnc1C2CC2 9f4a031be1805f0fb6e35e6c31b407bf [0,1,0,1,0,0|2,0,0]=4 1374 B14R2.868 OCCNc1ncccc1C2CC2 6a120a180818d1c630414c3290f71cb5 [0,1,0,1,0,0|2,0,0]=4 1375 B14R2.868 OCCNc1nccnc1C2CC2 5fcd4e6d860c1c2a183dd546ba898eb1 [0,1,0,1,0,0|1,0,0]=3 1376 B14R2.868 SCCNc1cccnc1C2CC2 97ca9d55429760879e0976e45c0b2280 [0,1,0,1,0,0|2,0,0]=4 1377 B14R2.868 SCCNc1ncccc1C2CC2 15a95ce0b0910ab2e726f08b07bb925b [0,1,0,1,0,0|2,0,0]=4 1378 B14R2.868 SCCNc1nccnc1C2CC2 3754291e6ae0f18d460ae41414a99c8d [0,1,0,1,0,0|1,0,0]=3 1379 B14R2.868 SCCOc1ccccc1C2CC2 6c607221f31ebbbc950b0dd1583c234c [0,1,0,1,0,0|2,0,0]=4 1380 B14R2.868 SCCOc1cccnc1C2CC2 33c4306258eb12edc6a231c0782479d6 [0,1,0,1,0,0|1,0,0]=3 1381 B14R2.9513 CC(C)c1ncccc1OC2CC2 a24f351a4a5ef1297ba4a2b5976dcc41 [0,1,0,1,0,0|1,0,0]=3 1382 B14R2.3114 CCOc1cccc(c1C2CC2)F c83b992d26c60c97397561b73d4d9df3 [0,1,0,1,0,0|2,0,0]=4 1383 B14R2.7070 CCNc1c(ccnc1C2CC2)C d6a88638624b1a44aa2819858fb6bc3b [0,1,0,1,0,0|2,0,0]=4 1384 B14R2.7070 CCOc1c(cccc1C2CC2)Br 8abd581b7180c6bf64174bd459442d6c [0,1,0,1,0,0|2,0,0]=4 1385 B14R2.7070 CCOc1c(cccc1C2CC2)C 8dacfc979612b7947a95bcdb6a71ad3a [0,1,0,1,0,0|2,0,0]=4 1386 B14R2.7070 CCOc1c(cccc1C2CC2)F fe18abc242bd740061b4152bcfea99f6 [0,1,0,1,0,0|2,0,0]=4 1387 B10R1.5 CCNc1c[nH]nc1CC 3eec65d6021d56a490744ac7fe21c42f [1,0,0,0,1,0|2,0,0]=4 1388 B10R1.5 CCNc1ccnn1CC a8c2e6227ad236aff4aab5353f5fc877 [1,0,0,0,1,0|2,0,0]=4 1389 B10R1.5 CCNc1conc1CC 51a2d6a53ba1a7de765639fb420ae334 [1,0,0,0,1,0|2,0,0]=4 1390 B10R1.5 CCNc1n[nH]cc1CC f73b1cfe05ef2f3fd7f210f13e8fbdfa [1,0,0,0,1,0|2,0,0]=4 1391 B10R1.5 CCNc1nccn1CC 2418a634306d1624fb55eebce21ea10d [1,0,0,0,1,0|2,0,0]=4 1392 B10R1.5 CCNc1ncnn1CC 0fb47ee26f90e02cacfd4d9133cb63c0 [1,0,0,0,1,0|2,0,0]=4 1393 B10R1.5 CCOc1ccnn1CC 85d5d37054bd20450c8ff58386961822 [1,0,0,0,1,0|1,0,0]=3 1394 B10R1.5 CCn1nccc1OCF 9a635d41a67b78f87e565ffa2a1dc9b2 [1,0,0,0,1,0|2,0,0]=4 1395 B12R1.279 CC(C)c1cc(ccn1)NCF 50b841a21bf267376d8e47c0cd717705 [0,0,0,0,1,1|2,0,0]=4 1396 B12R1.279 CC(C)c1cc(ccn1)NCO 7b3f46efd6cfd8a4c06750716726b1d3 [0,0,0,0,1,1|2,0,0]=4 1397 B12R1.279 CC(C)c1cc(ncn1)NCF 9ea457eaff384340006533c37ca904ef [0,0,0,0,1,1|2,0,0]=4 1398 B12R1.279 CC(C)c1cc(ncn1)NCO cb9979b6e1444dd32043a9c699508b50 [0,0,0,0,1,1|2,0,0]=4 1399 B12R1.279 CC(C)c1cc(ncn1)OCF 196149ba85b0c4b9e252bf10095a5efc [0,0,0,0,1,1|1,0,0]=3 1400 B12R1.279 CC(C)c1cccc(c1)OCF d613b96fcdc570a26edb71f51cd87db7 [0,0,0,0,1,1|2,0,0]=4 1401 B12R1.279 CC(C)c1cccc(n1)OCF ce2ad578f6b3c864ce7ebe02ef5b8167 [0,0,0,0,1,1|2,0,0]=4 1402 B12R1.279 CC(C)c1ccnc(c1)NCF ecc8faebcd82262729c782f6959d5ba1 [0,0,0,0,1,1|2,0,0]=4 1403 B12R1.279 CC(C)c1ccnc(c1)NCO ab6100098163a01153b49d72ae6cffde [0,0,0,0,1,1|2,0,0]=4 1404 B12R1.279 CC(C)c1ccnc(n1)NCF c530487f728ef211e4c84d5ca3781c1a [0,0,0,0,1,1|2,0,0]=4 1405 B12R1.279 CC(C)c1ccnc(n1)NCO 3f04ecc8661c31fbb284e56eccc5bf6d [0,0,0,0,1,1|2,0,0]=4 1406 B12R1.279 CC(C)c1nccc(n1)NCF bed9d7b47e0d7788bc7a5c3835e2c142 [0,0,0,0,1,1|2,0,0]=4 1407 B12R1.279 CC(C)c1nccc(n1)NCO a9c2a0b7db3826cd9683d7090cd28f58 [0,0,0,0,1,1|2,0,0]=4 1408 B12R1.279 CC(C)c1nccc(n1)OCF eabcbf3080b410863b738dc540ea0ff4 [0,0,0,0,1,1|1,0,0]=3 1409 B12R1.279 CC(C)c1ncnc(n1)NCF e7884f41c551c8c172143be170741c10 [0,0,0,0,1,1|2,0,0]=4 1410 B12R1.279 CC(C)c1ncnc(n1)NCO d2002c69c4818bff4b69897a038b2016 [0,0,0,0,1,1|2,0,0]=4 1411 B12R1.279 CCNc1cc(ccn1)C(C)C 5506a130cf2b09876cfad44e11f3bcf7 [0,0,0,0,1,1|1,0,0]=3 1412 B12R1.279 CCNc1cc(ccn1)C(C)O 43b19825efa1d3d6ca5f0931f5030420 [0,0,0,0,1,1|2,0,0]=4 1413 B12R1.279 CCNc1cc(ccn1)N(C)C 053e53c0a4eb2045d5338a850a95efec [0,0,0,0,1,1|2,0,0]=4 1414 B12R1.279 CCNc1cc(ncn1)C(C)C 6949bf82b2dae7a070d89ee843b6a3cb [0,0,0,0,1,1|1,0,0]=3 1415 B12R1.279 CCNc1cc(ncn1)N(C)C c5cb3e8546eb19b4dd8cfc2a3a184097 [0,0,0,0,1,1|2,0,0]=4 1416 B12R1.279 CCNc1cccc(c1)C(C)C 324e9535fadd5cedf8ee7a8d80c90971 [0,0,0,0,1,1|2,0,0]=4 1417 B12R1.279 CCNc1ccnc(c1)C(C)C 88c2d4cabfed595658a8008a764a99e3 [0,0,0,0,1,1|1,0,0]=3 1418 B12R1.279 CCNc1ccnc(c1)N(C)C 7699fa7ba8b3b5c1a2e734154310245a [0,0,0,0,1,1|2,0,0]=4 1419 B12R1.279 CCNc1ccnc(n1)C(C)C d46cc99721082dddaaa0d4949fcfb3ee [0,0,0,0,1,1|1,0,0]=3 1420 B12R1.279 CCNc1nccc(n1)C(C)C 74dd71bb7491a0c10171be1883e132ab [0,0,0,0,1,1|1,0,0]=3 1421 B12R1.279 CCNc1nccc(n1)N(C)C 5d49331da03b779cbd1351a1ad9c8ee9 [0,0,0,0,1,1|2,0,0]=4 1422 B12R1.279 CCNc1ncnc(n1)C(C)C c8b6f9afd3f61e29a64d7dab92eed208 [0,0,0,0,1,1|1,0,0]=3 1423 B12R1.279 CCNc1ncnc(n1)N(C)C 28ec9235460446cf743d1e44096a97c1 [0,0,0,0,1,1|2,0,0]=4 1424 B12R1.279 CCOc1cc(ccn1)C(F)F a7faefc4519f35fbf7e7ecdf18c58aee [0,0,0,0,1,1|2,0,0]=4 1425 B12R1.279 CCOc1cc(ncn1)C(C)C c52c13273cef6110f8e0dc77182a0a18 [0,0,0,0,1,1|0,0,0]=2 1426 B12R1.279 CCOc1cccc(c1)C(C)C 12a9ddf98b49a709e6dea7d5e3af7ee4 [0,0,0,0,1,1|1,0,0]=3 1427 B12R1.279 CCOc1cccc(c1)N(C)C e5861d1305db304905e9aaac91b50026 [0,0,0,0,1,1|2,0,0]=4 1428 B12R1.279 CCOc1cccc(n1)C(C)C 38bb4b62a32e016d7a0a96f0388e4d25 [0,0,0,0,1,1|1,0,0]=3 1429 B12R1.279 CCOc1ccnc(c1)C(F)F 9fc284eaf573c1ab6f0dc1df2efd4fe9 [0,0,0,0,1,1|2,0,0]=4 1430 B12R1.279 CCOc1ccnc(n1)C(C)C 222f58fe334c4cea709b898c75ca42ee [0,0,0,0,1,1|0,0,0]=2 1431 B14R1.482 C=C(C)CNc1nccnc1OCC 74733dbc06ad9b77e3a11bc963487abd [0,0,0,0,0,2|0,0,2]=4 1432 B14R1.482 CC(C)COc1ncccc1OCF 8b524e95e04485ad20642151ef064e3e [0,0,0,0,0,2|2,0,0]=4 1433 B14R1.482 CCCc1ncccc1OCC(C)C 83b840fc882f3d11be639c24a34f9f2a [0,0,0,0,0,2|2,0,0]=4 1434 B14R1.482 CCNc1ncccc1OCC(C)C 97674183581e035a28a46866e1b8cb0f [0,0,0,0,0,2|2,0,0]=4 1435 B14R1.482 CCOc1ccccc1CNC(C)C cacb7e611fe78ba0e606b89b96e05e21 [0,0,0,0,0,2|2,0,0]=4 1436 B14R1.482 CCOc1ccccc1COC(C)C 70161ba4ca608ad1dbb6e2724f684d30 [0,0,0,0,0,2|2,0,0]=4 1437 B14R1.482 CCOc1ccccc1NCC(C)C 6a1da4dfffadcd926e1cfc63da5743a0 [0,0,0,0,0,2|2,0,0]=4 1438 B14R1.482 CCOc1ccccc1OCC(C)C 80224774e8033e9144eb8acaf65fdf29 [0,0,0,0,0,2|2,0,0]=4 1439 B14R1.482 CCOc1cccnc1CNC(C)C 2c902b750024817fbe13f2ee5b867ee3 [0,0,0,0,0,2|1,0,0]=3 1440 B14R1.482 CCOc1cccnc1COC(C)C 9e78d0caf5ebd2e66e0ad68e37eed173 [0,0,0,0,0,2|1,0,0]=3 1441 B14R1.482 CCOc1cccnc1NCC(C)C 8af7af51146de67e7ab97b3172741d67 [0,0,0,0,0,2|1,0,0]=3 1442 B14R1.482 CCOc1cccnc1NCC(C)O c8c60f6b78d36eca6971a9354c810363 [0,0,0,0,0,2|2,0,0]=4 1443 B14R1.482 CCOc1cccnc1NCN(C)C 49e19492a8028179699ba6f6d222771c [0,0,0,0,0,2|2,0,0]=4 1444 B14R1.482 CCOc1cccnc1NC[C@@H](C)O ccc0e30f9388c4df00bd16ff87c744ae [0,0,0,0,0,2|2,0,0]=4 1445 B14R1.482 CCOc1cccnc1NC[C@H](C)O 7d2f7104a9683369d24b9700bc9d1fbf [0,0,0,0,0,2|2,0,0]=4 1446 B14R1.482 CCOc1cccnc1OCC(C)C 78d6528a2fd4fd7d0df48ef9e629190b [0,0,0,0,0,2|1,0,0]=3 1447 B14R1.482 CCOc1cncnc1NCC(C)C 5bf0980a0a84230b789bfd2f0f864c6b [0,0,0,0,0,2|2,0,0]=4 1448 B14R1.482 CCOc1ncccc1CNC(C)C 9cb50a5b00cba22dfda93a38985513e2 [0,0,0,0,0,2|1,0,0]=3 1449 B14R1.482 CCOc1ncccc1COC(C)C cb82dc7fcd4bece22b20ab62a96aa2e5 [0,0,0,0,0,2|1,0,0]=3 1450 B14R1.482 CCOc1ncccc1NCC(C)C fb2413f1da0b79dc9bc10bd1345012c0 [0,0,0,0,0,2|1,0,0]=3 1451 B14R1.482 CCOc1ncccc1NCC(C)O e2390199b79870275778c459053d2fb8 [0,0,0,0,0,2|2,0,0]=4 1452 B14R1.482 CCOc1ncccc1NCN(C)C 4fa31f7c232fb83d264649560fa0ed7e [0,0,0,0,0,2|2,0,0]=4 1453 B14R1.482 CCOc1ncccc1NC[C@@H](C)O 4a9187e7a6a2d021da8a396c9c78ccf3 [0,0,0,0,0,2|2,0,0]=4 1454 B14R1.482 CCOc1ncccc1NC[C@H](C)O 27e4caa992058dc6b2e953e8938c8fc7 [0,0,0,0,0,2|2,0,0]=4 1455 B14R1.482 CCOc1ncccc1OCC(C)C 71a998f56df375ea07a2c9ab3610b0b4 [0,0,0,0,0,2|1,0,0]=3 1456 B14R1.482 CCOc1ncccc1OCN(C)C e33743d771bbd22d06c1a4abc072cff0 [0,0,0,0,0,2|2,0,0]=4 1457 B14R1.482 CCOc1nccnc1NCC(=O)C f3d5ad95e8950538af57fba5a4a5e565 [0,0,0,0,0,2|1,0,1]=4 1458 B14R1.482 CCOc1nccnc1NCC(C)C 48cbff8d4ddf6f0b18c1ddd0a8c28a4b [0,0,0,0,0,2|0,0,0]=2 1459 B14R1.482 CCOc1nccnc1NCC(C)O 583cd53c1d76dcb2faed6888cd63e549 [0,0,0,0,0,2|1,0,0]=3 1460 B14R1.482 CCOc1nccnc1NCC(F)F e7f247ebabe2466f943f271dad28e2f5 [0,0,0,0,0,2|2,0,0]=4 1461 B14R1.482 CCOc1nccnc1NCN(C)C b869d2caf2121b66323817e5c23b0a9c [0,0,0,0,0,2|1,0,0]=3 1462 B14R1.482 CCOc1nccnc1NC[C@@H](C)O b3693585f88b7db242020417be676725 [0,0,0,0,0,2|1,0,0]=3 1463 B14R1.482 CCOc1nccnc1NC[C@H](C)O 2672a22910ae4c8f69e18075d90a28b8 [0,0,0,0,0,2|1,0,0]=3 1464 B14R1.482 CCOc1ncncc1NCC(C)C 57c7c5a9dce8ff049ded74099f8369cf [0,0,0,0,0,2|2,0,0]=4