0 B9R1.11 CCC(=O)N1CC=CC1 8fcb7348add64c7e1ee81d8cebba28fe [0,0,0,0,0,0|2,0,1]=3 1 B9R1.11 CCN(C)c1cc[nH]n1 749ccf1c4175e9714bd2edef8b8b302c [0,0,0,0,0,0|3,0,1]=4 2 B9R1.11 CCN(C)c1ccns1 a19f7fc213bd5bd88b24d5f68e4afa8f [0,0,0,0,0,0|4,0,0]=4 3 B9R1.11 CCN(C)c1ccon1 2ce8321b2704db34980c07b5e78f5b31 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.11 CCN(C)c1ccsc1 9d7f231018bb5b4ffa353066f71ec39b [0,0,0,0,0,0|4,0,0]=4 5 B9R1.11 CCN(C)c1ncc[nH]1 6558320edd02b7a06d6c6cd1d7a09bd3 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.11 CCN(C)c1ncco1 e68e12067f5d470a1f9ce47452eec061 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.11 CCN(C)c1nccs1 f916cd2d893b9e379f0396f320d15301 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.11 CCN(C)c1nnc[nH]1 6beaa6f3a63506e1304bf85a0a674d84 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.11 CN(CF)c1ncc[nH]1 406e43255e3e684ca4ca47551698d6f6 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.11 CN(CO)c1ncc[nH]1 5b9ac24689e7303c8aad21e68276de2a [0,0,0,0,0,0|4,0,0]=4 11 B9R1.11 O=C(CF)N1CC=CC1 3cc17bffd400c6c4b32eef881a52b1b0 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.11 O=C(CO)N1CC=CC1 1273ade47c8439e3864480831b12c15d [0,0,0,0,0,0|3,0,1]=4 13 B9R1.11 O=C(CS)N1CC=CC1 f92f9b840f52a52e8ddfa974a6fad3a6 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.7 CC(=O)N1CC=CC1 e11b9582e24204de984b55633fe5316e [1,0,0,0,0,0|2,0,1]=4 15 B8R1.8 CCNc1cc[nH]n1 1ec90843b0b722deac22a6d0b9230c30 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.8 CCNc1cccs1 f92887221cdfe270aa88f70a5b6538c3 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.8 CCNc1ccno1 c991bcc5829788fabf092ecd54bd220e [1,0,0,0,0,0|3,0,0]=4 18 B8R1.8 CCNc1ccns1 2d79a3b4135a06a1b489318190c2601d [1,0,0,0,0,0|3,0,0]=4 19 B8R1.8 CCNc1ccon1 1b2b81379cbfa300ef6ff7f035534561 [1,0,0,0,0,0|2,0,1]=4 20 B8R1.8 CCNc1ccsc1 cda8850b0edc8792e319ed7aad994bf3 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.8 CCNc1cncs1 caf47a09a037d51cb6d8de3ed1ef2cd8 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.8 CCNc1cocn1 d8e901dc9f64240d769713656ef981d4 [1,0,0,0,0,0|2,0,1]=4 23 B8R1.8 CCNc1cscn1 deb4d5205f2d6ad6b5aceaad6dba2646 [1,0,0,0,0,0|2,0,1]=4 24 B8R1.8 CCNc1ncc[nH]1 9c694d8670fe0b12710364903a725787 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.8 CCNc1ncco1 9fef4809a1ac3d1c666a8faacb65e06b [1,0,0,0,0,0|2,0,1]=4 26 B8R1.8 CCNc1nccs1 80b16777a8c3f760bbf265ac2cdb6521 [1,0,0,0,0,0|2,0,1]=4 27 B8R1.8 CCOc1c[nH]cn1 5a57d5d014ff5f703d52daf8ebbbcbe1 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.8 CCOc1ccco1 e09af78840aa7c50339c3ce236ba2f4c [1,0,0,0,0,0|2,0,0]=3 29 B8R1.8 CCOc1cccs1 d21292a98c2ee3c1ea9b8b00e074b6ef [1,0,0,0,0,0|2,0,0]=3 30 B8R1.8 CCOc1ccn[nH]1 945a2fb7b2311859d19fa2575122eac5 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.8 CCOc1ccsc1 e97ca04b8e5d46ec67b2ebe625463cd4 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.8 CCOc1nccs1 c7bf9113a012f962fcb198e0f8e767fe [1,0,0,0,0,0|2,0,1]=4 33 B8R1.8 CCOn1cccn1 770cadc5246353a2a295ab96e14141ca [1,0,0,0,0,0|2,0,1]=4 34 B8R1.8 FCNc1cccs1 5e75f288d43648c29cd49234a17e1a9b [1,0,0,0,0,0|3,0,0]=4 35 B8R1.8 FCNc1ncc[nH]1 7e1136910a31ae6119771fbba5022125 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.8 FCOc1ccco1 51ab89c071216f5af135b7cd9684c569 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.8 FCOc1cccs1 5abe6db260cf1bf0ece10764373fe2fd [1,0,0,0,0,0|3,0,0]=4 38 B8R1.8 FCOc1ccn[nH]1 76b583cee1058f2c94eb53920a041371 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.8 OCNc1cccs1 2c9e101236047184adb7524dbc050fa0 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.8 OCNc1ncc[nH]1 8779228d9622538cac84c5b84482a9b7 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.9 CCN(C=O)c1nccs1 6ec5f9906364bbdda8117095352cb157 [0,1,0,0,0,0|2,0,1]=4 42 B10R1.11 CCCC(=O)N1CC=CC1 bb898560fa964db98f98cd376b86f0ce [0,1,0,0,0,0|2,0,1]=4 43 B10R1.11 CCCN(C)c1ncc[nH]1 e8c84813b2c4ad6337b4c1a2ba6be433 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.11 CCNC(C)c1ccco1 ee141e1d5a490da9995e04ce24e590f9 [0,1,0,0,0,0|2,0,1]=4 45 B10R1.11 CCNC(C)c1cccs1 d217c6227164550e2cf27839f17d7b0d [0,1,0,0,0,0|2,0,1]=4 46 B10R1.11 CCN[C@@H](C)c1cccs1 643308288281e4a79a1aad46b2b514f3 [0,1,0,0,0,0|2,0,1]=4 47 B10R1.11 CCN[C@H](C)c1ccco1 28eb0d4eaae628536a1bf1f770a877ab [0,1,0,0,0,0|2,0,1]=4 48 B10R1.11 CCN[C@H](C)c1cccs1 1ca8e8649158371392ad7c6e6ba6e0fd [0,1,0,0,0,0|2,0,1]=4 49 B10R1.11 CCOC(C)c1ccco1 3bd2b9ad01c83442911e7c1be5d2164d [0,1,0,0,0,0|2,0,1]=4 50 B10R1.11 CCOC(C)c1cccs1 bdf7829759511c8c50ea2c2aa36d0560 [0,1,0,0,0,0|2,0,1]=4 51 B10R1.11 CCOC(C)c1ncc[nH]1 70d6ebfb52cfa6bf86ec65f07b5f07d1 [0,1,0,0,0,0|2,0,1]=4 52 B10R1.11 CCO[C@@H](C)c1cccs1 83b5158aea0e4d918b99a57a2b105a52 [0,1,0,0,0,0|2,0,1]=4 53 B10R1.11 CCO[C@H](C)c1ccco1 3c8ceb0e1dd139cd9173630218700cc9 [0,1,0,0,0,0|2,0,1]=4 54 B10R1.11 CCO[C@H](C)c1cccs1 9c5599ca0a5afb0124dc5c8f4336622b [0,1,0,0,0,0|2,0,1]=4 55 B10R1.11 CN(CCF)c1ncc[nH]1 f6b235c2a4a565a701bc328885acf898 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.11 CN(CCO)c1ncc[nH]1 36f5b1c681f03a2e1a74aecaa3c1396c [0,1,0,0,0,0|3,0,0]=4 57 B10R1.11 CN(CCS)c1ncc[nH]1 dc825f27af287b1db6b3a1b891192827 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.11 COCC(=O)N1CC=CC1 b11bedc9dadc4c82e42a4f7eff848e0d [0,1,0,0,0,0|2,0,1]=4 59 B10R1.11 COCN(C)c1ncc[nH]1 a737f4020d54d3df80a04f20a7b9034f [0,1,0,0,0,0|3,0,0]=4 60 B10R1.11 CSCC(=O)N1CC=CC1 e0240e4b45b1caa7e6aaa192e212e868 [0,1,0,0,0,0|2,0,1]=4 61 B10R1.11 CSCN(C)c1ncc[nH]1 b4b3e108f218a61917c27ebb678a61b6 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.11 N#CNC(=O)c1ccco1 1adef430898af33746a6c9ec84528171 [0,1,0,0,0,0|2,0,1]=4 63 B10R1.11 N#CNC(=O)c1cccs1 095e1c1f89cfea00e92ac1d8c8d62e1e [0,1,0,0,0,0|2,0,1]=4 64 B10R1.11 O=C(CCF)N1CC=CC1 853e2f7b038f6057656dc7bd73b26600 [0,1,0,0,0,0|2,0,1]=4 65 B10R1.11 O=C(CCO)N1CC=CC1 45babc7bfc0207fe12404426c279dad1 [0,1,0,0,0,0|2,0,1]=4 66 B10R1.11 O=C(CCS)N1CC=CC1 c1816f48ff5adcbdc7fa23ea8d7df47d [0,1,0,0,0,0|2,0,1]=4 67 B10R1.14 CCN(C)c1ccc(o1)C 756b5c8d5f9750ba36120da486b7ea4d [0,1,0,0,0,0|3,0,0]=4 68 B10R1.23 CC(C)N(C)c1ncc[nH]1 e996d76195205f3f8762c434c29d54b3 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.23 CC(F)C(=O)N1CC=CC1 55352446c6e725b080d61f2f19a26281 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.23 CC(O)C(=O)N1CC=CC1 10ced20e3e67ee560b049dfe3449f25f [0,1,0,0,0,0|2,0,1]=4 71 B10R1.23 CC(S)C(=O)N1CC=CC1 ed8fa6c172b9eab40fe6d47fe9bde9bf [0,1,0,0,0,0|2,0,1]=4 72 B10R1.23 C[C@@H](F)C(=O)N1CC=CC1 a639eb94aa747b371aedc52424f4bb0b [0,1,0,0,0,0|2,0,1]=4 73 B10R1.23 C[C@@H](O)C(=O)N1CC=CC1 e93a50818bb0d1fb504ccd508f23f492 [0,1,0,0,0,0|2,0,1]=4 74 B10R1.23 C[C@H](F)C(=O)N1CC=CC1 81a7690f80ea1da5276e5408527ed3af [0,1,0,0,0,0|2,0,1]=4 75 B10R1.23 C[C@H](O)C(=O)N1CC=CC1 fd5f82b7feeefbe4d870be1d17f5aea1 [0,1,0,0,0,0|2,0,1]=4 76 B10R1.149 CCN(C)c1sccc1C 980430f2ff5e590baeb4fe4f062a4173 [0,1,0,0,0,0|3,0,0]=4 77 B8R0.3 C=CCN(C)C(=O)CC 3bb2f9eb0189cead2c974a4fe74c9568 [0,0,1,0,0,0|2,0,1]=4 78 B8R0.3 CCC(=O)C(=O)NC#N b79908edefc1d4286650401c0b6ff174 [0,0,1,0,0,0|2,0,1]=4 79 B8R0.6 C=CCCNC(=O)CC ff184ef1399f6dc8c7e919b7f0c5c0dc [0,0,1,0,0,0|2,0,1]=4 80 B8R0.6 C=CCNCC(=O)NC f548b9ed621af83174e69d5d65b71e11 [0,0,1,0,0,0|1,0,2]=4 81 B8R0.6 C=CCNCC(=O)OC 149a449e2131ace3a8ad23121b53b8be [0,0,1,0,0,0|1,0,2]=4 82 B8R0.6 C=CCOCC(=O)CC 048d3235ebc96f1d1022e6a0b9b0b262 [0,0,1,0,0,0|1,0,2]=4 83 B8R0.6 CC=CCNC(=O)CC 0567aadeecba276bde20c091c56d95d3 [0,0,1,0,0,0|2,0,1]=4 84 B10R1.15 CCC(=O)N1CC=CCC1 99015132406e40ac51cac2ce1fb62c12 [0,0,0,0,0,1|2,0,1]=4 85 B10R1.15 CCN(C)c1ccccc1 9cc6568b1f30abe04427bdea858da30e [0,0,0,0,0,1|3,0,0]=4 86 B10R1.15 CCN(C)c1cccnc1 04b21f569d4c75e23135eca19e8dfd7f [0,0,0,0,0,1|2,0,1]=4 87 B10R1.15 CCN(C)c1ccncc1 b94b8554b6698451ca404459911593cc [0,0,0,0,0,1|3,0,0]=4 88 B10R1.15 CCN(C)c1ccncn1 d3188d994a55f552daffb246c4de2ff9 [0,0,0,0,0,1|2,0,1]=4 89 B10R1.15 CCN(C)c1cnccn1 a8ffa0df115721fdc6dd2269b8097d32 [0,0,0,0,0,1|2,0,1]=4 90 B10R1.15 CCN(C)c1ncccn1 2190b05b172124b2ca945163c4e222f5 [0,0,0,0,0,1|2,0,1]=4 91 B10R1.27 C#CC(=O)Nc1cccs1 e9224cd9992603127a419174b2b0a0b5 [0,0,0,0,0,1|1,0,2]=4 92 B10R1.27 C=CC(=O)Nc1cccs1 e83235019fa42812523ea5fc4f181558 [0,0,0,0,0,1|1,0,2]=4 93 B10R1.27 CCC(=O)CN1CC=CC1 9addcf33c1e1f9beaf1d00793bafa8f6 [0,0,0,0,0,1|2,0,1]=4 94 B10R1.27 CCC(=O)NC1CC=CC1 adec6ff9971cf21ad4bb29cba6524254 [0,0,0,0,0,1|1,0,2]=4 95 B10R1.27 CCC(=O)Nc1cccs1 f50607963147f2d3b2fa22a860c7bc5f [0,0,0,0,0,1|1,0,0]=2 96 B10R1.27 CCC(=O)Nc1ccno1 909054f307ef24dfb02c6467e90f9bc3 [0,0,0,0,0,1|2,0,0]=3 97 B10R1.27 CCC(=O)Nc1ccns1 983c39b369b340df6a8d008508181dc6 [0,0,0,0,0,1|2,0,0]=3 98 B10R1.27 CCC(=O)Nc1ccsc1 5bf01967229999d777833bdfda9bef0a [0,0,0,0,0,1|2,0,0]=3 99 B10R1.27 CCC(=O)Nc1cncs1 0a9145704297d531c120b55f86e36565 [0,0,0,0,0,1|2,0,0]=3 100 B10R1.27 CCC(=O)Nc1cnoc1 739e17b8a5bb6f5c25604a6a76f31896 [0,0,0,0,0,1|3,0,0]=4 101 B10R1.27 CCC(=O)Nc1cnon1 babf9074d1b1094c0a69be4703f44bf0 [0,0,0,0,0,1|2,0,1]=4 102 B10R1.27 CCC(=O)Nc1cnsc1 4d1df042eadc7d9bb767f0db43f0f1f9 [0,0,0,0,0,1|3,0,0]=4 103 B10R1.27 CCC(=O)Nc1cocn1 2d93b0f05fe4aaf36cb636d800a92bf5 [0,0,0,0,0,1|1,0,1]=3 104 B10R1.27 CCC(=O)Nc1cscn1 7ba07f893e3c146b5b2e23ed1c158919 [0,0,0,0,0,1|1,0,1]=3 105 B10R1.27 CCC(=O)Nc1ncco1 ee37f68e5f52d9668d0f9933ef28c6fc [0,0,0,0,0,1|1,0,1]=3 106 B10R1.27 CCC(=O)Nc1nccs1 fdccf754ab8887b68e7072ae126b79a6 [0,0,0,0,0,1|1,0,1]=3 107 B10R1.27 CCC(=O)Nc1ncns1 a3c1aec9246a2174d4a79b7cede592fe [0,0,0,0,0,1|2,0,1]=4 108 B10R1.27 CCC(=O)Nc1nncs1 eab91dcc24e496a063c09c00778c9e7a [0,0,0,0,0,1|2,0,1]=4 109 B10R1.27 CCC(C)Nc1ncc[nH]1 955376107bc7153bb56fe54fc04de2cf [0,0,0,0,0,1|2,0,1]=4 110 B10R1.27 CCC(C)Oc1ccco1 d0beb7fde6d54ae64363161825c47c35 [0,0,0,0,0,1|2,0,1]=4 111 B10R1.27 CCC(C)Oc1cccs1 3541fcdf455861cca5d3a82e83b56fc2 [0,0,0,0,0,1|2,0,1]=4 112 B10R1.27 CCC(C)Oc1ccn[nH]1 8121f17a42999d5cb950a437f710e113 [0,0,0,0,0,1|2,0,1]=4 113 B10R1.27 CCN(C)Cc1ccc[nH]1 e347aa0aab5f8b91131036b76761899f [0,0,0,0,0,1|2,0,0]=3 114 B10R1.27 CCN(C)Cc1ccco1 76ba84af7af62748e537e57011bb5102 [0,0,0,0,0,1|3,0,0]=4 115 B10R1.27 CCN(C)Cc1cccs1 5856368746510a7217772fc0f20fa2c2 [0,0,0,0,0,1|3,0,0]=4 116 B10R1.27 CCN(C)Cc1ccn[nH]1 a780e7b05df5b77e3ef29f900a8ef87b [0,0,0,0,0,1|3,0,0]=4 117 B10R1.27 CCN(C)Cc1ncc[nH]1 51576a26cf23285268fc6a43ae44df8c [0,0,0,0,0,1|3,0,0]=4 118 B10R1.27 CN(CF)Cc1ccc[nH]1 5acb32a101efb0b989c02eb95cb384e2 [0,0,0,0,0,1|3,0,0]=4 119 B10R1.27 CN(CO)Cc1ccc[nH]1 c72aaf1507d6728f270abf1c4e66a3a9 [0,0,0,0,0,1|3,0,0]=4 120 B10R1.27 O=C(CF)Nc1cccs1 c2532a8f207b54b42bbc7280d05616b2 [0,0,0,0,0,1|2,0,0]=3 121 B10R1.27 O=C(CF)Nc1ccno1 8f6d54f8381900f816aa0a6141c5e319 [0,0,0,0,0,1|3,0,0]=4 122 B10R1.27 O=C(CF)Nc1ccns1 75e15fa4560fa8835c009c203da5d8e3 [0,0,0,0,0,1|3,0,0]=4 123 B10R1.27 O=C(CF)Nc1ccsc1 457dee91bb0d8d20d3739ae052a998df [0,0,0,0,0,1|3,0,0]=4 124 B10R1.27 O=C(CF)Nc1cncs1 dc006872675f0f128ae63cfbcdb8a454 [0,0,0,0,0,1|3,0,0]=4 125 B10R1.27 O=C(CF)Nc1cocn1 a16f59e93cde147ab533dc28819b6d81 [0,0,0,0,0,1|2,0,1]=4 126 B10R1.27 O=C(CF)Nc1cscn1 a215739c094e1f2b02ac0bf8b66acd9a [0,0,0,0,0,1|2,0,1]=4 127 B10R1.27 O=C(CF)Nc1ncco1 4fa3d00cec483ba2638be10f345a2395 [0,0,0,0,0,1|2,0,1]=4 128 B10R1.27 O=C(CF)Nc1nccs1 f4957295fbac2e3be4de2d3b24bdeb37 [0,0,0,0,0,1|2,0,1]=4 129 B10R1.27 O=C(CO)Nc1cccs1 c02ae0041af0a4556b6c8dc060e48c79 [0,0,0,0,0,1|2,0,0]=3 130 B10R1.27 O=C(CO)Nc1ccns1 db5a0c8c2c21c92cac5302c74ae7b0a4 [0,0,0,0,0,1|3,0,0]=4 131 B10R1.27 O=C(CO)Nc1ccsc1 8b669f4333e0344ec74ab87bffb31285 [0,0,0,0,0,1|3,0,0]=4 132 B10R1.27 O=C(CO)Nc1cocn1 b8553395cb3e855ded3c09361c07be6a [0,0,0,0,0,1|2,0,1]=4 133 B10R1.27 O=C(CO)Nc1cscn1 f4efd7ec88f4e763e5248af5d0ca15cb [0,0,0,0,0,1|2,0,1]=4 134 B10R1.27 O=C(CO)Nc1ncco1 6050db231c4a585130c143babe839f4c [0,0,0,0,0,1|2,0,1]=4 135 B10R1.27 O=C(CO)Nc1nccs1 4ab8c7cb024d8e0de607a8771bb61f22 [0,0,0,0,0,1|2,0,1]=4 136 B10R1.27 O=C(CS)Nc1cccs1 92618e90e5bf8c915c1cae56e1f47489 [0,0,0,0,0,1|2,0,0]=3 137 B10R1.27 O=C(CS)Nc1ccno1 6824aa28c3d354d7bf99229861e6658f [0,0,0,0,0,1|3,0,0]=4 138 B10R1.27 O=C(CS)Nc1ccns1 c0d5a3f0a8977374347178aa39e76014 [0,0,0,0,0,1|3,0,0]=4 139 B10R1.27 O=C(CS)Nc1cocn1 856019594de1955fc2c981ac293446ca [0,0,0,0,0,1|2,0,1]=4 140 B10R1.27 O=C(CS)Nc1cscn1 9ecabead17ce93aad03c2fd2eb2663de [0,0,0,0,0,1|2,0,1]=4 141 B10R1.27 O=C(CS)Nc1nccs1 5645898068526a559772b933394d1e55 [0,0,0,0,0,1|2,0,1]=4 142 B10R1.27 O=CC(=O)Nc1cccs1 131968a6bb1c313ed1c4ad145b0c87f0 [0,0,0,0,0,1|2,0,1]=4 143 B7R0.4 C=CCNCC(=O)C c379877cdd29970c778896dc66ad00a6 [1,0,1,0,0,0|0,0,2]=4 144 B9R0.1 C=C(Br)CNCC(=O)CC 150256356a16136a8096145cb197c058 [0,1,1,0,0,0|0,0,2]=4 145 B9R0.1 C=C(C)CNCC(=O)CC cd454918bf8eb86d4e5c362f8a3004ea [0,1,1,0,0,0|0,0,2]=4 146 B9R0.5 C=CCNCC(=O)NCC 03bc30f2db00e8ff81a9bdce6586612d [0,1,1,0,0,0|0,0,2]=4 147 B9R0.5 C=CCNCC(=O)OCC 9c75fab8aca43806fda755027554c371 [0,1,1,0,0,0|0,0,2]=4 148 B9R0.24 C=CC(=O)NCC(=O)NC 5317a287b45e7a1fba64569aef1f5016 [0,1,1,0,0,0|1,0,1]=4 149 B9R0.24 C=CC(=O)NCC(=O)OC 10e57b5c3b90d94c9f9d63ae5b51ab60 [0,1,1,0,0,0|1,0,1]=4 150 B9R0.24 C=CC(C)NCC(=O)CC 5c7251900eb10597931ab8f3cda7e713 [0,1,1,0,0,0|0,0,2]=4 151 B9R0.34 C=CCN(C)CC(=O)CC 283f98ee3387f4ae4f3b83fd19168f44 [0,1,1,0,0,0|0,0,2]=4 152 B9R0.46 C=CCCNCC(=O)CC c68fbb3930ad5b035bc1d80d52096ccd [0,1,1,0,0,0|0,0,2]=4 153 B9R0.46 CC=CCNCC(=O)CC 3eb40bc620336efcbc3652bfc1f9b519 [0,1,1,0,0,0|0,0,2]=4 154 B9R1.7 CCNc1cc(n[nH]1)Cl 017c22ec1be8cc2585c1e6d3784d4837 [1,1,0,0,0,0|2,0,0]=4 155 B9R1.7 CCNc1ccc(s1)Br 9887066c4f23e7daf2738532a866a93f [1,1,0,0,0,0|2,0,0]=4 156 B9R1.7 CCNc1ccc(s1)C 6cc2b61cb21c538e8a3c4748615dc171 [1,1,0,0,0,0|2,0,0]=4 157 B9R1.7 CCNc1nc(c[nH]1)Br 93123e4cf86e8caabda7db8ce2d7ed62 [1,1,0,0,0,0|2,0,0]=4 158 B9R1.7 CCNc1ncc([nH]1)C 5ac775ce6f9d77e92c163881f0d757c2 [1,1,0,0,0,0|2,0,0]=4 159 B9R1.7 CCOc1cc(cs1)C f83ac452101022897e1afe49252bc0a6 [1,1,0,0,0,0|2,0,0]=4 160 B9R1.7 CCOc1ccc(s1)Br c97db172da234b04bd274e0b7ba7aac7 [1,1,0,0,0,0|2,0,0]=4 161 B9R1.12 BrCCNc1cccs1 c09b0f0dcebf0fcb791d9c0fae97e4ed [1,1,0,0,0,0|2,0,0]=4 162 B9R1.12 CCCNc1cccs1 dddbeb0cebfad93e2ee450a927f1f846 [1,1,0,0,0,0|1,0,1]=4 163 B9R1.12 CCCNc1ncc[nH]1 8f0b11e739cdbcc3c6e78e115ed494fe [1,1,0,0,0,0|1,0,1]=4 164 B9R1.12 CCCOc1ccco1 892ad9a1c4eda1b2e579e57ab16386c6 [1,1,0,0,0,0|1,0,1]=4 165 B9R1.12 CCCOc1cccs1 08634ab81341ae1b1178430949f9ac0f [1,1,0,0,0,0|1,0,1]=4 166 B9R1.12 CCCOc1ccn[nH]1 a3b9c72eb0c803665c4c2723cda3dad1 [1,1,0,0,0,0|1,0,1]=4 167 B9R1.12 CCNCc1ccc[nH]1 d148947c496d04ba3fda3d28b4738aad [1,1,0,0,0,0|0,0,1]=3 168 B9R1.12 CCNCc1ccco1 4817cc97570de733e3d59f88500c3b37 [1,1,0,0,0,0|1,0,1]=4 169 B9R1.12 CCNCc1cccs1 4bb993aa1ef7b62c5d2b7781bf586f7d [1,1,0,0,0,0|1,0,1]=4 170 B9R1.12 CCNCc1ccn[nH]1 8d84ae57d6fc6c4a664fbe3966ca8383 [1,1,0,0,0,0|1,0,1]=4 171 B9R1.12 CCNCc1ncc[nH]1 80bb75fd4db514b30cbb9decd5220667 [1,1,0,0,0,0|1,0,1]=4 172 B9R1.12 CCOCc1ccc[nH]1 0b5c52ca398d6e6823ab9d1f4fb92621 [1,1,0,0,0,0|0,0,1]=3 173 B9R1.12 CCOCc1ccco1 e774f039f2ee21ec2e9d047bdeb979aa [1,1,0,0,0,0|1,0,1]=4 174 B9R1.12 CCOCc1cccs1 8766881c6db57c6784fc6c93385667d4 [1,1,0,0,0,0|1,0,1]=4 175 B9R1.12 CCOCc1ccn[nH]1 d7f28e0a081f68ec795d8d4391069dd7 [1,1,0,0,0,0|1,0,1]=4 176 B9R1.12 CCOCc1cnc[nH]1 9627bc2d6cb500602677f06a6a7d9bf4 [1,1,0,0,0,0|1,0,1]=4 177 B9R1.12 CCOCc1ncc[nH]1 cf0678147462fc427b9541c5f3d75f6c [1,1,0,0,0,0|1,0,1]=4 178 B9R1.12 COCNc1cccs1 a445fc20137d5de04e37049f9b7acf2c [1,1,0,0,0,0|2,0,0]=4 179 B9R1.12 COCNc1ncc[nH]1 40f6f94346f0489624dbd120791daf0f [1,1,0,0,0,0|2,0,0]=4 180 B9R1.12 COCOc1ccco1 e04897991e5b5a23be25371e2fdd1455 [1,1,0,0,0,0|2,0,0]=4 181 B9R1.12 COCOc1cccs1 f7e2b3cd366d3a572662b6a110d9cdff [1,1,0,0,0,0|2,0,0]=4 182 B9R1.12 COCOc1ccn[nH]1 3b68d0dff601b1769a10360beb00fe7d [1,1,0,0,0,0|2,0,0]=4 183 B9R1.12 CSCNc1cccs1 9666dae99bc2c28068bd9eb8da246d16 [1,1,0,0,0,0|2,0,0]=4 184 B9R1.12 CSCNc1ncc[nH]1 e4975d99979905df593178a7ad0e0f5f [1,1,0,0,0,0|2,0,0]=4 185 B9R1.12 CSCOc1ccco1 1390e2388610ba4d2a6a9c5a27789bf5 [1,1,0,0,0,0|2,0,0]=4 186 B9R1.12 CSCOc1cccs1 bce12fac0c68c414ccd2f558ed87d259 [1,1,0,0,0,0|2,0,0]=4 187 B9R1.12 CSCOc1ccn[nH]1 5e43ae14e86be2556311ff5f0133b05b [1,1,0,0,0,0|2,0,0]=4 188 B9R1.12 FCCNc1cccs1 72d30de6f7107428d208ec2105512673 [1,1,0,0,0,0|2,0,0]=4 189 B9R1.12 FCCNc1ncc[nH]1 ac54802ffdf346efface17ca0517dfed [1,1,0,0,0,0|2,0,0]=4 190 B9R1.12 FCCOc1ccco1 74b943bccf8edd3f7423f52f687b6d81 [1,1,0,0,0,0|2,0,0]=4 191 B9R1.12 FCCOc1cccs1 4d4e0d32e310d3d0cee0221bc94ba774 [1,1,0,0,0,0|2,0,0]=4 192 B9R1.12 FCCOc1ccn[nH]1 acbfaa9ff1514a6c7a82aa1fb6c92e7d [1,1,0,0,0,0|2,0,0]=4 193 B9R1.12 FCNCc1ccc[nH]1 b8209f67d0b6dbcebbd0297bb2e6b7c8 [1,1,0,0,0,0|1,0,1]=4 194 B9R1.12 FCOCc1ccc[nH]1 f8b57ee506260fbcaafed00f685542b2 [1,1,0,0,0,0|1,0,1]=4 195 B9R1.12 ICCNc1cccs1 8499be8b0e3a22886e79ca6d717dc693 [1,1,0,0,0,0|2,0,0]=4 196 B9R1.12 OCCNc1ccco1 133a22307e236e8d6e7724cd612f28fd [1,1,0,0,0,0|2,0,0]=4 197 B9R1.12 OCCNc1cccs1 2ba78ef34c75ea3069c9d7a18a33b4b5 [1,1,0,0,0,0|2,0,0]=4 198 B9R1.12 OCCNc1ncc[nH]1 81d2b61694a5dd6334d1b7b8278fae51 [1,1,0,0,0,0|2,0,0]=4 199 B9R1.12 OCNCc1ccc[nH]1 b011ce93b48fe889bae376897837b402 [1,1,0,0,0,0|1,0,1]=4 200 B9R1.12 SCCNc1ccco1 07751fd732d83bca22eb9634fbc19eef [1,1,0,0,0,0|2,0,0]=4 201 B9R1.12 SCCNc1cccs1 8a17ff5b35bec33fda4ea52f977bd5ac [1,1,0,0,0,0|2,0,0]=4 202 B9R1.12 SCCNc1ncc[nH]1 74ef4cadc5abb2bd639853125c133ea9 [1,1,0,0,0,0|2,0,0]=4 203 B9R1.12 SCCOc1ccco1 7ce458dd6701fc9e2ddded3a6e0f82ed [1,1,0,0,0,0|2,0,0]=4 204 B9R1.12 SCCOc1cccs1 76d2470c19021421703a4592f24d10d6 [1,1,0,0,0,0|2,0,0]=4 205 B9R1.12 SCCOc1ccn[nH]1 34f7abea9d0f32a729b54c5b33859845 [1,1,0,0,0,0|2,0,0]=4 206 B9R1.13 CC(C)Nc1ncc[nH]1 8d05845695c8fb7502c2af4756268830 [1,1,0,0,0,0|2,0,0]=4 207 B9R1.13 CC(C)Oc1ccco1 6706bc489021fd5e63c9cd08f454e9c6 [1,1,0,0,0,0|2,0,0]=4 208 B9R1.13 CC(C)Oc1cccs1 21794e900987f3d432b829048842efca [1,1,0,0,0,0|2,0,0]=4 209 B9R1.13 CC(C)Oc1ccn[nH]1 53c884ecb33b778652e01026b1e95972 [1,1,0,0,0,0|2,0,0]=4 210 B9R1.33 CCNc1[nH]ncc1F 64613ed879e32550cc710121b4e0f15f [1,1,0,0,0,0|2,0,0]=4 211 B9R1.33 CCNc1ccnn1C 7d1c97d7ff5ec58f3b22515f5e983d4e [1,1,0,0,0,0|2,0,0]=4 212 B9R1.33 CCNc1cncn1C b9db6fdeebc86cda04241bdba0ddcbc8 [1,1,0,0,0,0|2,0,0]=4 213 B9R1.33 CCNc1nccn1C 160560ef4202125b48625bf6571b6c6e [1,1,0,0,0,0|2,0,0]=4 214 B9R1.33 CCOc1cccn1C 44520dbb337be4380fad349d4652b597 [1,1,0,0,0,0|1,0,0]=3 215 B9R1.33 CCOc1ccnn1C 0d0572773a82c29e2468f53c6de093db [1,1,0,0,0,0|2,0,0]=4 216 B9R1.33 Cn1cccc1OCF 8e34d43d668e1f526923f9d2a250c99f [1,1,0,0,0,0|2,0,0]=4 217 B11R1.12 CCN(C=O)c1ccccc1 da6bb0dc53f1d66135131d66e3bbe341 [0,1,0,0,0,1|2,0,0]=4 218 B11R1.12 CCN(C=O)c1ccccn1 37ec100e83e1f6ae17d6e3d5e7e2efcf [0,1,0,0,0,1|1,0,1]=4 219 B11R1.12 CCN(C=O)c1cccnc1 480f2644a238345f8cb34be867d4aca8 [0,1,0,0,0,1|1,0,1]=4 220 B11R1.12 CCN(C=O)c1cccnn1 bc5719b16cc7ecd03429b0711c320eb4 [0,1,0,0,0,1|1,0,1]=4 221 B11R1.12 CCN(C=O)c1ccncc1 509a741e45cf3609202d1982e0d164de [0,1,0,0,0,1|2,0,0]=4 222 B11R1.12 CCN(C=O)c1cnccn1 2106275e2d269f3c272150672947c57e [0,1,0,0,0,1|1,0,1]=4 223 B11R1.23 CCN(C)c1ccnc(=O)[nH]1 ac4076f9eabd181e6051f917f4619b84 [0,1,0,0,0,1|2,0,0]=4 224 B11R1.222 CCN(C)c1c[nH]ccc1=O 6abf9d241073cc2f75f27abcbd05cc80 [0,1,0,0,0,1|2,0,0]=4 225 B11R1.222 CCN(C)c1c[nH]ccc1=S 3b8bfde396fba92e7eb31b571ef2cfc9 [0,1,0,0,0,1|2,0,0]=4 226 B11R1.30 C#CCC(=O)Nc1cccs1 7fc435d72abffb5f523dd2266744fe97 [0,1,0,0,0,1|1,0,1]=4 227 B11R1.30 C/C=C/C(=O)Nc1cccs1 b88ce0f8a91c462affd137607d6d36dc [0,1,0,0,0,1|1,0,1]=4 228 B11R1.30 C=CCC(=O)Nc1cccs1 80873c7ca7742b806143be5b5d7a8ff3 [0,1,0,0,0,1|1,0,1]=4 229 B11R1.30 CC#CC(=O)Nc1cccs1 87ffd0a5fb7985c87692f6328976123e [0,1,0,0,0,1|1,0,1]=4 230 B11R1.30 CCCC(=O)Nc1cccs1 e85255fe7df8b1c9d43477733b584e37 [0,1,0,0,0,1|1,0,0]=3 231 B11R1.30 CCCC(=O)Nc1ccno1 3ccccb7c8979c3bc22cc86bea1bddb28 [0,1,0,0,0,1|2,0,0]=4 232 B11R1.30 CCCC(=O)Nc1ccns1 2a74865dacf52b7f3354ddeff0f77c31 [0,1,0,0,0,1|2,0,0]=4 233 B11R1.30 CCCC(=O)Nc1ccsc1 108cce219dc246201cdf6f68a8be17b7 [0,1,0,0,0,1|2,0,0]=4 234 B11R1.30 CCCC(=O)Nc1cncs1 c331b08b0db441dc3cb2dfd771fc3b07 [0,1,0,0,0,1|2,0,0]=4 235 B11R1.30 CCCC(=O)Nc1cocn1 cae2207ebb19761b24ffb7f63baed56c [0,1,0,0,0,1|1,0,1]=4 236 B11R1.30 CCCC(=O)Nc1cscn1 4dbfcf033d267b67d2d4ce2bd176a94e [0,1,0,0,0,1|1,0,1]=4 237 B11R1.30 CCCC(=O)Nc1ncco1 c7577386937f7b8ea3029afe6bf848b7 [0,1,0,0,0,1|1,0,1]=4 238 B11R1.30 CCCC(=O)Nc1nccs1 e9f83916e72fe67095f66a8ff23682db [0,1,0,0,0,1|1,0,1]=4 239 B11R1.30 CCCN(C)Cc1ccc[nH]1 d8cc80f127505f144f5e5a57f8d3a508 [0,1,0,0,0,1|2,0,0]=4 240 B11R1.30 CCNC(C)Cc1ccc[nH]1 9544ecf8ad212305936bbb7c8680e8b3 [0,1,0,0,0,1|1,0,1]=4 241 B11R1.30 CN(CCF)Cc1ccc[nH]1 1cb2792676cb11f0c20a4ff5aa58bb36 [0,1,0,0,0,1|2,0,0]=4 242 B11R1.30 CN(CCO)Cc1ccc[nH]1 2bc3afeb437152317ff1d1e0987b1ba2 [0,1,0,0,0,1|2,0,0]=4 243 B11R1.30 CN(CCS)Cc1ccc[nH]1 8401d88a46db011d0a8b110bdc52f45b [0,1,0,0,0,1|2,0,0]=4 244 B11R1.30 COCC(=O)Nc1cccs1 fbca31af7a27ff67c42c92ab71bc8d63 [0,1,0,0,0,1|1,0,0]=3 245 B11R1.30 COCC(=O)Nc1ccno1 ddb40514378f2b62c4a994665b7aaf41 [0,1,0,0,0,1|2,0,0]=4 246 B11R1.30 COCC(=O)Nc1ccns1 7be58ea32a7181d7f170a7288757e136 [0,1,0,0,0,1|2,0,0]=4 247 B11R1.30 COCC(=O)Nc1ccsc1 ab3ccd6a028131dbd8e446d46500b5b5 [0,1,0,0,0,1|2,0,0]=4 248 B11R1.30 COCC(=O)Nc1cncs1 7bb0f00bea439135f8873e059968f3c0 [0,1,0,0,0,1|2,0,0]=4 249 B11R1.30 COCC(=O)Nc1cocn1 f2805bde89bde965f957591bf1b2a8ba [0,1,0,0,0,1|1,0,1]=4 250 B11R1.30 COCC(=O)Nc1cscn1 da4366206f27d8ffc0b106436228098e [0,1,0,0,0,1|1,0,1]=4 251 B11R1.30 COCC(=O)Nc1ncco1 d05d688c86611e685b1545d8fd8da624 [0,1,0,0,0,1|1,0,1]=4 252 B11R1.30 COCC(=O)Nc1nccs1 92039ff24c9ffe84a41c1ed7aa5732b7 [0,1,0,0,0,1|1,0,1]=4 253 B11R1.30 COCN(C)Cc1ccc[nH]1 6eff77aef024dd8af07a269125b2ffad [0,1,0,0,0,1|2,0,0]=4 254 B11R1.30 CSCC(=O)Nc1cccs1 e1a3f9b8048fdfd149d89cad894707fd [0,1,0,0,0,1|1,0,0]=3 255 B11R1.30 CSCC(=O)Nc1ccno1 996a28654f8080317ce92cab5c755621 [0,1,0,0,0,1|2,0,0]=4 256 B11R1.30 CSCC(=O)Nc1ccns1 2f1c155229f70ab039e8cc2d6001117d [0,1,0,0,0,1|2,0,0]=4 257 B11R1.30 CSCC(=O)Nc1cscn1 f3c0025058aa57f0be6c0a74378f61ce [0,1,0,0,0,1|1,0,1]=4 258 B11R1.30 CSCC(=O)Nc1ncco1 c8b2ad450085c7437a61184460ef6a9d [0,1,0,0,0,1|1,0,1]=4 259 B11R1.30 CSCC(=O)Nc1nccs1 52356853a7cd551e4e3bfb71bc0668ab [0,1,0,0,0,1|1,0,1]=4 260 B11R1.30 CSCN(C)Cc1ccc[nH]1 05accc3a0296fc11c45c6626bb908c6f [0,1,0,0,0,1|2,0,0]=4 261 B11R1.30 N#CCC(=O)Nc1cccs1 060669175f87ed90898e65fb70f04276 [0,1,0,0,0,1|1,0,1]=4 262 B11R1.30 NOCC(=O)Nc1cccs1 8ecbdf4e81e0c77649ab5baf7f9d4387 [0,1,0,0,0,1|2,0,0]=4 263 B11R1.30 O=C(CCF)Nc1cccs1 11954c15d658b87518dea01d2ae651db [0,1,0,0,0,1|1,0,0]=3 264 B11R1.30 O=C(CCF)Nc1ccno1 e22d96e894f5d79ed8dc9fd1153d47ca [0,1,0,0,0,1|2,0,0]=4 265 B11R1.30 O=C(CCF)Nc1ccns1 4e347d1ee8b939bd881efa8130f4efc2 [0,1,0,0,0,1|2,0,0]=4 266 B11R1.30 O=C(CCF)Nc1ccsc1 e30fad9bf17e2fc4a86ae350ea0815cb [0,1,0,0,0,1|2,0,0]=4 267 B11R1.30 O=C(CCF)Nc1cncs1 93545efbaf1a92d9dfebedaead28429d [0,1,0,0,0,1|2,0,0]=4 268 B11R1.30 O=C(CCF)Nc1cocn1 d519f93fc72812e956d059a528546c0c [0,1,0,0,0,1|1,0,1]=4 269 B11R1.30 O=C(CCF)Nc1cscn1 e4ac61562b08bb3383c3d26d8345a9d6 [0,1,0,0,0,1|1,0,1]=4 270 B11R1.30 O=C(CCF)Nc1ncco1 ffe859ce8f1fb4360f6961260caa34da [0,1,0,0,0,1|1,0,1]=4 271 B11R1.30 O=C(CCF)Nc1nccs1 346a84ecc1270eecd7d1c69c2af17c8e [0,1,0,0,0,1|1,0,1]=4 272 B11R1.30 O=C(CCO)Nc1cccs1 4ef96122338343ae270a589c2d6406df [0,1,0,0,0,1|1,0,0]=3 273 B11R1.30 O=C(CCO)Nc1ccno1 55b18418609412433654af277aed69df [0,1,0,0,0,1|2,0,0]=4 274 B11R1.30 O=C(CCO)Nc1ccns1 f062cb02f326fdfea808a5f5485fcbc8 [0,1,0,0,0,1|2,0,0]=4 275 B11R1.30 O=C(CCO)Nc1ccsc1 29784099ad894e9257e73c88fcb6c2a5 [0,1,0,0,0,1|2,0,0]=4 276 B11R1.30 O=C(CCO)Nc1cocn1 cd9239645089c0b93ab2aca5d31ffc7d [0,1,0,0,0,1|1,0,1]=4 277 B11R1.30 O=C(CCO)Nc1cscn1 3b1337719d6a51011750b81cf94bca27 [0,1,0,0,0,1|1,0,1]=4 278 B11R1.30 O=C(CCO)Nc1ncco1 7accfcc603de6dacaef9ad6baf19059d [0,1,0,0,0,1|1,0,1]=4 279 B11R1.30 O=C(CCO)Nc1nccs1 11a4d6229bc814ad5d2559287550ca90 [0,1,0,0,0,1|1,0,1]=4 280 B11R1.30 O=C(CCS)Nc1cccs1 fdfbda4bb4d6e87c2bf10819d1387b88 [0,1,0,0,0,1|1,0,0]=3 281 B11R1.30 O=C(CCS)Nc1ccno1 9d352e661b6f519d371e990a53236037 [0,1,0,0,0,1|2,0,0]=4 282 B11R1.30 O=C(CCS)Nc1ccns1 9bbbd567b3e0eb3eed39a9a7c027e2b2 [0,1,0,0,0,1|2,0,0]=4 283 B11R1.30 O=C(CCS)Nc1ccsc1 50880190e984faa3ba7d3e18ebe774a3 [0,1,0,0,0,1|2,0,0]=4 284 B11R1.30 O=C(CCS)Nc1cncs1 8a72e3a0f6253d574890b2c2dcd36a49 [0,1,0,0,0,1|2,0,0]=4 285 B11R1.30 O=C(CCS)Nc1cocn1 f31f1a51bcf957dbcdc2c042b16e667f [0,1,0,0,0,1|1,0,1]=4 286 B11R1.30 O=C(CCS)Nc1cscn1 040a2625c56144e1f3cff8e021bcfef8 [0,1,0,0,0,1|1,0,1]=4 287 B11R1.30 O=C(CCS)Nc1ncco1 f18dc92005149a12b5b786d307f31b3a [0,1,0,0,0,1|1,0,1]=4 288 B11R1.30 O=C(CCS)Nc1nccs1 66ba860a71a3399df7961303f147e958 [0,1,0,0,0,1|1,0,1]=4 289 B11R1.30 O=CCC(=O)Nc1cccs1 aeae37596cd339d6deff0f806e2094ef [0,1,0,0,0,1|1,0,1]=4 290 B11R1.31 CCC(=O)N(C)c1ccon1 1e7d7a3e64ac19564e3123946ccb1db6 [0,1,0,0,0,1|1,0,1]=4 291 B11R1.31 CCC(=O)N(C)c1ccsc1 52efe729c19ec560b7245dc44026190d [0,1,0,0,0,1|2,0,0]=4 292 B11R1.31 CCC(=O)N(C)c1ncco1 e6aa8512e393b5fa859eb0961182ec78 [0,1,0,0,0,1|1,0,1]=4 293 B11R1.31 CCC(=O)N(C)c1nccs1 46b6b912da9f82faaa10c00a29ba1b01 [0,1,0,0,0,1|1,0,1]=4 294 B11R1.35 C=C(C)C(=O)Nc1cccs1 1760e0a66affe8fd5b39b43d74c60a5e [0,1,0,0,0,1|1,0,1]=4 295 B11R1.35 CC(=O)C(=O)Nc1cccs1 de6d70e3306c47e09cb36ff931517690 [0,1,0,0,0,1|1,0,1]=4 296 B11R1.35 CC(C)N(C)Cc1ccc[nH]1 74f01e31157a03dd41bb5eba552d1f21 [0,1,0,0,0,1|2,0,0]=4 297 B11R1.35 CC(F)C(=O)Nc1cccs1 4d402e012a605d9adba58544fbaba3b2 [0,1,0,0,0,1|1,0,0]=3 298 B11R1.35 CC(F)C(=O)Nc1ccns1 4af3f192057236c03aaf72ef759dc15b [0,1,0,0,0,1|2,0,0]=4 299 B11R1.35 CC(F)C(=O)Nc1ccsc1 3729542a9c7a75fb483f381b74cd25f3 [0,1,0,0,0,1|2,0,0]=4 300 B11R1.35 CC(F)C(=O)Nc1cncs1 a4b130a6a1d0d6bd98fff87a751844dc [0,1,0,0,0,1|2,0,0]=4 301 B11R1.35 CC(O)C(=O)Nc1cccs1 6eb72c9e5dc282f1cb487ff6167488a8 [0,1,0,0,0,1|1,0,0]=3 302 B11R1.35 CC(O)C(=O)Nc1ccno1 bd411e85e7cc8017ba91dc1d63ce97cc [0,1,0,0,0,1|2,0,0]=4 303 B11R1.35 CC(O)C(=O)Nc1ccns1 4877ba127f30de82d018f6623e7ac403 [0,1,0,0,0,1|2,0,0]=4 304 B11R1.35 CC(O)C(=O)Nc1ccsc1 db71e68ce42a93f998d53fce3bcacd2b [0,1,0,0,0,1|2,0,0]=4 305 B11R1.35 CC(O)C(=O)Nc1cncs1 9d1ba5793d984c6155a95ac7da2d5c65 [0,1,0,0,0,1|2,0,0]=4 306 B11R1.35 CC(O)C(=O)Nc1cocn1 25fe9f6858901c33fc1f2d5bca53f8d5 [0,1,0,0,0,1|1,0,1]=4 307 B11R1.35 CC(O)C(=O)Nc1cscn1 d74808c59a3e458e4ee5c622d0b27841 [0,1,0,0,0,1|1,0,1]=4 308 B11R1.35 CC(O)C(=O)Nc1ncco1 f69d0911f806047125effc6c25f0776d [0,1,0,0,0,1|1,0,1]=4 309 B11R1.35 CC(O)C(=O)Nc1nccs1 4239437e9c6e1d7670c4411dd05d8ce4 [0,1,0,0,0,1|1,0,1]=4 310 B11R1.35 CC(S)C(=O)Nc1cccs1 377ba5c82b250807ffe4652b2a229579 [0,1,0,0,0,1|1,0,0]=3 311 B11R1.35 CC(S)C(=O)Nc1ccno1 f33d7e2bdf7f839260e1151af69af789 [0,1,0,0,0,1|2,0,0]=4 312 B11R1.35 CC(S)C(=O)Nc1ccns1 87c76802dc30075aebee7292ead4e546 [0,1,0,0,0,1|2,0,0]=4 313 B11R1.35 CC(S)C(=O)Nc1ccsc1 5669b5468a69fab15216ed59d5e735cc [0,1,0,0,0,1|2,0,0]=4 314 B11R1.35 CC(S)C(=O)Nc1cncs1 17d939afefcd2eb2244f0438e3c0f752 [0,1,0,0,0,1|2,0,0]=4 315 B11R1.35 CC(S)C(=O)Nc1cocn1 da9e275a11a1598d9b48a2bc4ec6bea6 [0,1,0,0,0,1|1,0,1]=4 316 B11R1.35 CC(S)C(=O)Nc1cscn1 18bb421cd3f0213729669164e9822793 [0,1,0,0,0,1|1,0,1]=4 317 B11R1.35 CC(S)C(=O)Nc1ncco1 1a8f644a6d1af844b841681d47e4600f [0,1,0,0,0,1|1,0,1]=4 318 B11R1.35 CC(S)C(=O)Nc1nccs1 699d90a5b5c8a657c457e4dc72093034 [0,1,0,0,0,1|1,0,1]=4 319 B11R1.35 C[C@@H](F)C(=O)Nc1cccs1 d92d205070519a1e88fedeff6190ba2e [0,1,0,0,0,1|1,0,0]=3 320 B11R1.35 C[C@@H](F)C(=O)Nc1ccns1 bdf78227ff3cf3222f499de889985ec4 [0,1,0,0,0,1|2,0,0]=4 321 B11R1.35 C[C@@H](F)C(=O)Nc1ccsc1 94027d3a4761965dcfbebc8a23f8dc68 [0,1,0,0,0,1|2,0,0]=4 322 B11R1.35 C[C@@H](F)C(=O)Nc1cncs1 19da327b2313294934976f518f0a23eb [0,1,0,0,0,1|2,0,0]=4 323 B11R1.35 C[C@@H](O)C(=O)Nc1cccs1 1fe558ea537643901f641b0a0eef2170 [0,1,0,0,0,1|1,0,0]=3 324 B11R1.35 C[C@@H](O)C(=O)Nc1ccno1 2d7724e56e0dc582a25b33f976c6c563 [0,1,0,0,0,1|2,0,0]=4 325 B11R1.35 C[C@@H](O)C(=O)Nc1ccns1 77d4346440f9cec4bc4d9ad539cfe4c7 [0,1,0,0,0,1|2,0,0]=4 326 B11R1.35 C[C@@H](O)C(=O)Nc1ccsc1 28ce7468f30eebf55d7dac8f9082b147 [0,1,0,0,0,1|2,0,0]=4 327 B11R1.35 C[C@@H](O)C(=O)Nc1cncs1 aaf22ecb6eb9a77bce082ed61e3d6d40 [0,1,0,0,0,1|2,0,0]=4 328 B11R1.35 C[C@@H](O)C(=O)Nc1cocn1 fa4890a3cf8d8b3a337b27b6d62d0d9a [0,1,0,0,0,1|1,0,1]=4 329 B11R1.35 C[C@@H](O)C(=O)Nc1cscn1 c40eb5c8a281b2bef23137a567e9273c [0,1,0,0,0,1|1,0,1]=4 330 B11R1.35 C[C@@H](O)C(=O)Nc1ncco1 2b4e4e2a804563f93d7ecd8b0fc7437e [0,1,0,0,0,1|1,0,1]=4 331 B11R1.35 C[C@@H](O)C(=O)Nc1nccs1 958262c24672258b5b512310d80a9cb5 [0,1,0,0,0,1|1,0,1]=4 332 B11R1.35 C[C@H](F)C(=O)Nc1cccs1 986bb8df1b1d2fb3059e35517fbf1a83 [0,1,0,0,0,1|1,0,0]=3 333 B11R1.35 C[C@H](F)C(=O)Nc1ccns1 a1720396d0ca1ee9b59163d7f73d6886 [0,1,0,0,0,1|2,0,0]=4 334 B11R1.35 C[C@H](F)C(=O)Nc1ccsc1 b4c3b62b834b8e33175b0a63fbd75ca3 [0,1,0,0,0,1|2,0,0]=4 335 B11R1.35 C[C@H](F)C(=O)Nc1cncs1 294f47d883c1724dec553b97a4229927 [0,1,0,0,0,1|2,0,0]=4 336 B11R1.35 C[C@H](O)C(=O)Nc1cccs1 a72074808487f8f06bedff857aeeec7f [0,1,0,0,0,1|1,0,0]=3 337 B11R1.35 C[C@H](O)C(=O)Nc1ccno1 24fa7be81b1b691ff58e533b7d63d2c1 [0,1,0,0,0,1|2,0,0]=4 338 B11R1.35 C[C@H](O)C(=O)Nc1ccns1 8356177aa2fe275e69cf9bbeef8796ed [0,1,0,0,0,1|2,0,0]=4 339 B11R1.35 C[C@H](O)C(=O)Nc1ccsc1 7b8c131c2176927a549c19e48e1bc6a4 [0,1,0,0,0,1|2,0,0]=4 340 B11R1.35 C[C@H](O)C(=O)Nc1cncs1 db24f6aafd68b3a6cc4a44432f17f82f [0,1,0,0,0,1|2,0,0]=4 341 B11R1.35 C[C@H](O)C(=O)Nc1cocn1 82c719c7ee04450285e9e19c432743ae [0,1,0,0,0,1|1,0,1]=4 342 B11R1.35 C[C@H](O)C(=O)Nc1cscn1 78c218a6e11d91666267460624f49f16 [0,1,0,0,0,1|1,0,1]=4 343 B11R1.35 C[C@H](O)C(=O)Nc1ncco1 e47273513233c549f1fa0a4daa825a9e [0,1,0,0,0,1|1,0,1]=4 344 B11R1.35 C[C@H](O)C(=O)Nc1nccs1 5929f7d2f8db310222388f9a19772be7 [0,1,0,0,0,1|1,0,1]=4 345 B11R1.35 O=C(Nc1cccs1)C(F)F 738424d5bd84044e825b30fa13262052 [0,1,0,0,0,1|2,0,0]=4 346 B11R1.35 O=C(Nc1cccs1)C(O)O f8905ff521d14822c129923c80b9fa6c [0,1,0,0,0,1|2,0,0]=4 347 B11R1.39 CCC(=O)Nc1cc(no1)C 86ba8b7d3c5933c0892036a242f76bc4 [0,1,0,0,0,1|2,0,0]=4 348 B11R1.39 CCC(=O)Nc1cc(ns1)C 6a9bbe34f3258e109c76005df2a5fb86 [0,1,0,0,0,1|2,0,0]=4 349 B11R1.39 CCC(=O)Nc1cc(on1)C 7372f977f601b1347ce072ac440c48c9 [0,1,0,0,0,1|1,0,1]=4 350 B11R1.39 CCC(=O)Nc1ccc(s1)Br 3b0c93d8e70414e8bf45e86ea6447bc0 [0,1,0,0,0,1|1,0,0]=3 351 B11R1.39 CCC(=O)Nc1ccn(n1)C c7fe912169eef8779416c451aaefebc5 [0,1,0,0,0,1|1,0,1]=4 352 B11R1.39 CCC(=O)Nc1cn(cn1)C eef54c259efa7b506e693fc664f7c7f8 [0,1,0,0,0,1|1,0,1]=4 353 B11R1.39 CCC(=O)Nc1cnc(o1)C d4f94d2f8e6bbe0928dfdb48a1e9be57 [0,1,0,0,0,1|2,0,0]=4 354 B11R1.39 CCC(=O)Nc1cnc(s1)Br 3827f9f03c72031a0265362456af9936 [0,1,0,0,0,1|2,0,0]=4 355 B11R1.39 CCC(=O)Nc1cnc(s1)C 12ada7c380200684ec03ced12e1bac8b [0,1,0,0,0,1|2,0,0]=4 356 B11R1.39 CCC(=O)Nc1cnc(s1)S be6941c5d042b10b960243c64d6bd6c4 [0,1,0,0,0,1|2,0,0]=4 357 B11R1.39 CCC(=O)Nc1nc(co1)Br 1dca1b7b6216b5a4cb61e514c27dd910 [0,1,0,0,0,1|1,0,1]=4 358 B11R1.39 CCC(=O)Nc1nc(co1)C 63e58ac94aa5e0a2125ca91bac76f1e8 [0,1,0,0,0,1|1,0,1]=4 359 B11R1.39 CCC(=O)Nc1nc(cs1)C 1778d2c89e4f112444dc5698c176b7a2 [0,1,0,0,0,1|1,0,1]=4 360 B11R1.39 CCC(=O)Nc1ncc(o1)C 063468444c8a9b02245cb440b5c9f6c2 [0,1,0,0,0,1|1,0,1]=4 361 B11R1.39 CCC(=O)Nc1ncc(s1)C 5e5b569b297a55519b8c7acf7502ff98 [0,1,0,0,0,1|1,0,1]=4 362 B11R1.39 CCC(=O)Nc1ncc(s1)Cl a96c996cf53102ba8efa39c5d7533905 [0,1,0,0,0,1|1,0,1]=4 363 B11R1.39 CCC(=O)Nc1ncc(s1)F 92e3d22a91a028ca2a252df1c15e7ec4 [0,1,0,0,0,1|1,0,1]=4 364 B11R1.39 O=C(CO)Nc1ccc(s1)Br 374ad87911ee44042bef66bdd9f97334 [0,1,0,0,0,1|2,0,0]=4 365 B11R1.84 CCC(C=O)Nc1cccs1 407c745bc8e791618dfaf91966b9a1a2 [0,1,0,0,0,1|1,0,1]=4 366 B11R1.84 CCC(C=O)Nc1ncc[nH]1 1c27db4b35502311d402f3cd4c228e94 [0,1,0,0,0,1|1,0,1]=4 367 B11R1.84 CCC(C=O)Oc1ccco1 7425a557ff21ef6bb65112af39ef60a2 [0,1,0,0,0,1|1,0,1]=4 368 B11R1.84 CCC(C=O)Oc1cccs1 bd02328a2639afb2aff9ff7abebb3a5a [0,1,0,0,0,1|1,0,1]=4 369 B11R1.84 CCC(C=O)Oc1ccn[nH]1 438eb6a3a2d4f058b75e5e124778e2fb [0,1,0,0,0,1|1,0,1]=4 370 B11R1.84 CCN(C=O)Cc1ccco1 decbc418bb836e71037a67968583093c [0,1,0,0,0,1|2,0,0]=4 371 B11R1.84 CCN(C=O)Cc1cccs1 d06b0bbdea804c252b77f60c0552dd3b [0,1,0,0,0,1|2,0,0]=4 372 B11R1.228 CCC(=O)Nc1ccnn1C a0080badce42379a8df62e0ee39b47a3 [0,1,0,0,0,1|1,0,0]=3 373 B11R1.228 CCC(=O)Nc1ccsc1C aed89a8dbc6e06da1267a04aa1300cfe [0,1,0,0,0,1|2,0,0]=4 374 B11R1.228 CCC(=O)Nc1cncn1C 32e5ede286bf5b57f463ead5e193e21d [0,1,0,0,0,1|1,0,0]=3 375 B11R1.228 CCC(=O)Nc1cnnn1C 8b4d63ad4031a4bbaa2929c4657cd964 [0,1,0,0,0,1|2,0,0]=4 376 B11R1.228 CCC(=O)Nc1cscc1C 6faf9bdfffd2c842471dd7ed2b4bc631 [0,1,0,0,0,1|2,0,0]=4 377 B11R1.228 CCC(=O)Nc1nocc1C d67f377ce50b68bddb2e8a547d1110c6 [0,1,0,0,0,1|1,0,1]=4 378 B11R1.228 CCC(=O)Nc1scnc1C 21a80faa0f046d24ad27a74a70c85d93 [0,1,0,0,0,1|2,0,0]=4 379 B11R1.228 CCC(C)Oc1cccn1C e762a2d4b9c8b23fd329e439a70cec5c [0,1,0,0,0,1|1,0,1]=4 380 B11R1.228 CCN(C)Cc1cccn1C 972fd0688f9577f4723f920919591248 [0,1,0,0,0,1|2,0,0]=4 381 B11R1.228 Cn1cncc1NC(=O)CF 9452a4d59996c4047b12566179c37ebb [0,1,0,0,0,1|2,0,0]=4 382 B11R1.228 Cn1cncc1NC(=O)CO 9192d517cbd147e02e5909108aec46cb [0,1,0,0,0,1|2,0,0]=4 383 B11R1.228 Cn1cncc1NC(=O)CS cee8bb51e53d81e7a2e2fbdffe712616 [0,1,0,0,0,1|2,0,0]=4 384 B11R1.228 Cn1nccc1NC(=O)CF f812a1c1456a90c8d34235eaac0464b7 [0,1,0,0,0,1|2,0,0]=4 385 B11R1.228 Cn1nccc1NC(=O)CO d2630d76337ee9a44850c403e35a9dd4 [0,1,0,0,0,1|2,0,0]=4 386 B11R1.228 Cn1nccc1NC(=O)CS b1b3fc8b8ab2cf893d3f2905fd7a4383 [0,1,0,0,0,1|2,0,0]=4 387 B11R1.2 CCC(NC=O)c1ccco1 3a0ea364dff92e54acb23f8aafd7790c [0,2,0,0,0,0|1,0,1]=4 388 B11R1.2 CCC(NC=O)c1cccs1 4619968d1ad7911654c874b0696a6526 [0,2,0,0,0,0|1,0,1]=4 389 B11R1.29 C#CCNC(=O)c1ccco1 54ff4fbf94cdf57e102cd95c169c2b22 [0,2,0,0,0,0|1,0,1]=4 390 B11R1.29 C#CCNC(=O)c1cccs1 a73f20fac8a22321b114b7ca12fcbd41 [0,2,0,0,0,0|1,0,1]=4 391 B11R1.29 CCCNC(=O)c1ccco1 d8640482dae316c354eef2e19d31ea28 [0,2,0,0,0,0|1,0,0]=3 392 B11R1.29 CCCNC(=O)c1cccs1 1ae41568b1bb950c7d429998b0d28b35 [0,2,0,0,0,0|1,0,0]=3 393 B11R1.29 CCCNC(=O)c1ccno1 c77a86055203fe3167c7545c3ffd5006 [0,2,0,0,0,0|2,0,0]=4 394 B11R1.29 CCCNC(=O)c1ccns1 9d9271c488c7abd875ce72ed3cf44ba5 [0,2,0,0,0,0|2,0,0]=4 395 B11R1.29 CCCNC(=O)c1ccoc1 b710ca9b77d5dd5c6625c458d5e02fff [0,2,0,0,0,0|2,0,0]=4 396 B11R1.29 CCCNC(=O)c1ccon1 b0dc163d9fefb7a716284cef4e030748 [0,2,0,0,0,0|1,0,1]=4 397 B11R1.29 CCCNC(=O)c1ccsc1 f3d21a60ff16bfd1a406284ddaeeda64 [0,2,0,0,0,0|2,0,0]=4 398 B11R1.29 CCCNC(=O)c1ccsn1 e8c0b20cf619db44cfbb541f25483c83 [0,2,0,0,0,0|1,0,1]=4 399 B11R1.29 CCCNC(=O)c1cnco1 4fd1ce58de56a0a6274075bcec5acbfd [0,2,0,0,0,0|2,0,0]=4 400 B11R1.29 CCCNC(=O)c1cncs1 e91fe99ebdc2a4d8795f2723108d1eae [0,2,0,0,0,0|2,0,0]=4 401 B11R1.29 CCCNC(=O)c1cocn1 2575f7f0f3b0833b3d960e27221e8713 [0,2,0,0,0,0|1,0,1]=4 402 B11R1.29 CCCNC(=O)c1cscn1 070671f79af8ad71ff8934158ae62037 [0,2,0,0,0,0|1,0,1]=4 403 B11R1.29 CCCNC(=O)c1ncco1 ae748957f37f8038ea8711a85c12e485 [0,2,0,0,0,0|1,0,1]=4 404 B11R1.29 CCCNC(=O)c1nccs1 b508beeea12b29e1771eeed4bc4b32ee [0,2,0,0,0,0|1,0,1]=4 405 B11R1.29 CCOCC(=O)c1ccco1 914a75ebe3137d0727414a3562da2864 [0,2,0,0,0,0|1,0,0]=3 406 B11R1.29 N#CCNC(=O)c1ccco1 d313d8b0ce76d9c99b94fac6efbe655d [0,2,0,0,0,0|1,0,1]=4 407 B11R1.29 N#CCNC(=O)c1cccs1 13176c523a2d4c2196241743e91c74ce [0,2,0,0,0,0|1,0,1]=4 408 B11R1.29 N#CNCC(=O)c1ccco1 7d006b99701e12406ebdf274950972cb [0,2,0,0,0,0|1,0,1]=4 409 B11R1.29 N#CNCC(=O)c1cccs1 34e482cca636b2327c3ed850acb09e0f [0,2,0,0,0,0|1,0,1]=4 410 B11R1.29 O=C(COCF)c1ccco1 17b6d760525bf4481cd14a7fa5054d49 [0,2,0,0,0,0|1,0,0]=3 411 B11R1.29 O=C(NCCBr)c1ccco1 a0a02576173476b1d0f57aa98df99ffa [0,2,0,0,0,0|1,0,0]=3 412 B11R1.29 O=C(NCCBr)c1cccs1 331cf389663d77aeea0129bf68a2925d [0,2,0,0,0,0|1,0,0]=3 413 B11R1.29 O=C(NCCBr)c1ccno1 9a906130ef97f1cf1826565367a02026 [0,2,0,0,0,0|2,0,0]=4 414 B11R1.29 O=C(NCCBr)c1ccoc1 f17b4805ccc8050fa79e72b10af601a3 [0,2,0,0,0,0|2,0,0]=4 415 B11R1.29 O=C(NCCBr)c1ccsc1 e38ae1ea88454d8bd1978965b12e5086 [0,2,0,0,0,0|2,0,0]=4 416 B11R1.29 O=C(NCCBr)c1cnco1 f213b12c539887a7112db4c1eff3b684 [0,2,0,0,0,0|2,0,0]=4 417 B11R1.29 O=C(NCCBr)c1cncs1 60fbde55268ffca5c3be8cf756de24e1 [0,2,0,0,0,0|2,0,0]=4 418 B11R1.29 O=C(NCCBr)c1cocn1 cfd1e1548d98aefe311ff6b4486d7abf [0,2,0,0,0,0|1,0,1]=4 419 B11R1.29 O=C(NCCBr)c1cscn1 7caf1113a205fa3a768a4f60a6dfcaca [0,2,0,0,0,0|1,0,1]=4 420 B11R1.29 O=C(NCCBr)c1ncco1 ddfe2bffa9dbf30bfc49d06c78a41a13 [0,2,0,0,0,0|1,0,1]=4 421 B11R1.29 O=C(NCCBr)c1nccs1 2f66e8cff02a375147879a0050d7c8d9 [0,2,0,0,0,0|1,0,1]=4 422 B11R1.29 O=C(NCCF)c1ccco1 3debe2a549207ec0880069641356d391 [0,2,0,0,0,0|1,0,0]=3 423 B11R1.29 O=C(NCCF)c1cccs1 9dae2ac8adb10fc0a2a428c2efd9277c [0,2,0,0,0,0|1,0,0]=3 424 B11R1.29 O=C(NCCF)c1ccno1 2fc4ae01e473d6e2938d4b854c16bc61 [0,2,0,0,0,0|2,0,0]=4 425 B11R1.29 O=C(NCCF)c1ccns1 e5c5a111f8976524a3b3e3fbbf7f1396 [0,2,0,0,0,0|2,0,0]=4 426 B11R1.29 O=C(NCCF)c1ccoc1 dc7d561c6a59183e9b5592773f8ccae0 [0,2,0,0,0,0|2,0,0]=4 427 B11R1.29 O=C(NCCF)c1ccon1 142d3c284a476383841b2cf6a9d2d225 [0,2,0,0,0,0|1,0,1]=4 428 B11R1.29 O=C(NCCF)c1ccsc1 5671a45f2671253d004b5c4a0d81ee8b [0,2,0,0,0,0|2,0,0]=4 429 B11R1.29 O=C(NCCF)c1ccsn1 173f0ef87207bc7ab11a877afb1d6ce2 [0,2,0,0,0,0|1,0,1]=4 430 B11R1.29 O=C(NCCF)c1cnco1 0e4d328ade266bcd470550f55f4b8214 [0,2,0,0,0,0|2,0,0]=4 431 B11R1.29 O=C(NCCF)c1cncs1 383955fe88e0dc0fa7d36d083e3465fa [0,2,0,0,0,0|2,0,0]=4 432 B11R1.29 O=C(NCCF)c1cocn1 b5ee11bcd5c13814fed2a82d160c97ff [0,2,0,0,0,0|1,0,1]=4 433 B11R1.29 O=C(NCCF)c1cscn1 ab71382f1a3a031fd30aabc233b27d99 [0,2,0,0,0,0|1,0,1]=4 434 B11R1.29 O=C(NCCF)c1ncco1 7b4a48b6dd9dac5dc75cb2f84f090566 [0,2,0,0,0,0|1,0,1]=4 435 B11R1.29 O=C(NCCF)c1nccs1 77eb2769675c943061834add83081ee5 [0,2,0,0,0,0|1,0,1]=4 436 B11R1.29 O=C(NCCI)c1ccco1 5f8d286413b9d386aa5f26a345db8e0d [0,2,0,0,0,0|1,0,0]=3 437 B11R1.29 O=C(NCCI)c1cccs1 5c45c09620601b3f7f3d99c70e7c8eec [0,2,0,0,0,0|1,0,0]=3 438 B11R1.29 O=C(NCCI)c1ccno1 33f83caed4e05fa64b2512b71d58eca7 [0,2,0,0,0,0|2,0,0]=4 439 B11R1.29 O=C(NCCI)c1ccns1 a1da8b64574cd4b7b6848bb7562cdcca [0,2,0,0,0,0|2,0,0]=4 440 B11R1.29 O=C(NCCI)c1ccoc1 937c026f38ef0d37ba356822a011d166 [0,2,0,0,0,0|2,0,0]=4 441 B11R1.29 O=C(NCCI)c1ccon1 80dc1be028b5b257ddea035c7e53ae34 [0,2,0,0,0,0|1,0,1]=4 442 B11R1.29 O=C(NCCI)c1ccsc1 73851a3bb363013c32e7ebbc55213373 [0,2,0,0,0,0|2,0,0]=4 443 B11R1.29 O=C(NCCI)c1ccsn1 f4d53a643298fdbd6d91d796a4b8a023 [0,2,0,0,0,0|1,0,1]=4 444 B11R1.29 O=C(NCCI)c1cnco1 c87e910213bc69260e0c8db022a3fb59 [0,2,0,0,0,0|2,0,0]=4 445 B11R1.29 O=C(NCCI)c1cncs1 3a3d795952c46b3daef9a5b6d68fa412 [0,2,0,0,0,0|2,0,0]=4 446 B11R1.29 O=C(NCCI)c1cocn1 2ed053c043c561dc6a809a5ccdecafd0 [0,2,0,0,0,0|1,0,1]=4 447 B11R1.29 O=C(NCCI)c1cscn1 f2560ca5efe03971012bed9b84485591 [0,2,0,0,0,0|1,0,1]=4 448 B11R1.29 O=C(NCCI)c1ncco1 93d34a67e692c1c193eb6a83e00f8535 [0,2,0,0,0,0|1,0,1]=4 449 B11R1.29 O=C(NCCI)c1nccs1 036a52a19aa67d410084de031cedb749 [0,2,0,0,0,0|1,0,1]=4 450 B11R1.29 O=C(NCCO)c1ccco1 d1dff333f1685197c7717060e53f80c8 [0,2,0,0,0,0|1,0,0]=3 451 B11R1.29 O=C(NCCO)c1cccs1 188d85a1296df35506e6f58e072aa86e [0,2,0,0,0,0|1,0,0]=3 452 B11R1.29 O=C(NCCO)c1ccno1 d5654daeb27fe7d7448fb88f8a40cd7a [0,2,0,0,0,0|2,0,0]=4 453 B11R1.29 O=C(NCCO)c1ccns1 fd508a116e24c5b4a40289fb39324811 [0,2,0,0,0,0|2,0,0]=4 454 B11R1.29 O=C(NCCO)c1ccoc1 26f27fa8047d75aba267ec90ff5f5db5 [0,2,0,0,0,0|2,0,0]=4 455 B11R1.29 O=C(NCCO)c1ccon1 45d014ed584f9586c3feab142f6e4df6 [0,2,0,0,0,0|1,0,1]=4 456 B11R1.29 O=C(NCCO)c1ccsc1 cd4b4e6a612d00f35fffe04cc8f8d9b0 [0,2,0,0,0,0|2,0,0]=4 457 B11R1.29 O=C(NCCO)c1ccsn1 a0234999d4dd72b14e944f77fc6f636f [0,2,0,0,0,0|1,0,1]=4 458 B11R1.29 O=C(NCCO)c1cnco1 b61e2bef4acc84ed4e0fe63f8c9498c1 [0,2,0,0,0,0|2,0,0]=4 459 B11R1.29 O=C(NCCO)c1cncs1 6d1cbd4f329d93ed8f2059768f90065d [0,2,0,0,0,0|2,0,0]=4 460 B11R1.29 O=C(NCCO)c1cocn1 253f25f99125f7addb5100512e728c29 [0,2,0,0,0,0|1,0,1]=4 461 B11R1.29 O=C(NCCO)c1cscn1 4642e0cbf6ca626921b3a494e379793b [0,2,0,0,0,0|1,0,1]=4 462 B11R1.29 O=C(NCCO)c1ncco1 a7fbe4f9da9c46d9cd52676527965991 [0,2,0,0,0,0|1,0,1]=4 463 B11R1.29 O=C(NCCO)c1nccs1 b562304a528adb16b34e4b9da18c2c5c [0,2,0,0,0,0|1,0,1]=4 464 B11R1.29 O=C(NCCS)c1ccco1 32077be75d73ebb14fb9991bd123b7cd [0,2,0,0,0,0|1,0,0]=3 465 B11R1.29 O=C(NCCS)c1cccs1 c2a462f6c11566c870af0f7b13d5fade [0,2,0,0,0,0|1,0,0]=3 466 B11R1.29 O=C(NCCS)c1ccno1 3745e7100d16f98fcf8824204413aee5 [0,2,0,0,0,0|2,0,0]=4 467 B11R1.29 O=C(NCCS)c1ccns1 974cf9e0fce0d5e62fc5a8441216e482 [0,2,0,0,0,0|2,0,0]=4 468 B11R1.29 O=C(NCCS)c1ccoc1 1c37d5ab00bec609b56f86d92eede865 [0,2,0,0,0,0|2,0,0]=4 469 B11R1.29 O=C(NCCS)c1ccon1 bb8f019eedfe0945ac17cd0c19d101a2 [0,2,0,0,0,0|1,0,1]=4 470 B11R1.29 O=C(NCCS)c1ccsc1 b12a79ad271bb7b9ba5d316882d21f81 [0,2,0,0,0,0|2,0,0]=4 471 B11R1.29 O=C(NCCS)c1ccsn1 84e727b1a1c56a72cd14fe80aa54ebe1 [0,2,0,0,0,0|1,0,1]=4 472 B11R1.29 O=C(NCCS)c1cnco1 0f812843e2b307f761a930dbcfa6f774 [0,2,0,0,0,0|2,0,0]=4 473 B11R1.29 O=C(NCCS)c1cncs1 34995d48978f02a0be1d0e1d24782c87 [0,2,0,0,0,0|2,0,0]=4 474 B11R1.29 O=C(NCCS)c1cocn1 95182173a49ebb800618c8b1511ab721 [0,2,0,0,0,0|1,0,1]=4 475 B11R1.29 O=C(NCCS)c1cscn1 1ee9171f94169aebbe309486fdef8607 [0,2,0,0,0,0|1,0,1]=4 476 B11R1.29 O=C(NCCS)c1ncco1 2bf2edf52d3025c34621d30041d2a131 [0,2,0,0,0,0|1,0,1]=4 477 B11R1.29 O=C(NCCS)c1nccs1 d2c72eed24ffb5227db504a76a4e3581 [0,2,0,0,0,0|1,0,1]=4 478 B11R1.199 Cn1cccc1C(=O)NC#N 76863ac99a17cb1d3c189a31b5f6a820 [0,2,0,0,0,0|1,0,1]=4 479 B11R1.44 CCN(C)c1cc(c[nH]1)C=O c9a68f99a21335b3e47d3e9ca18c7ee2 [0,2,0,0,0,0|2,0,0]=4 480 B11R1.44 CCN(C)c1ccc([nH]1)C=O 08ee71974c4bcd94b2aa08497c8a037e [0,2,0,0,0,0|2,0,0]=4 481 B11R2.191 O=CN1CCn2c1ccn2 21cba250c68f4469c1391044c444be33 [0,1,0,1,0,0|2,0,0]=4 482 B9R1.8 CCNc1ccccc1 33257e4a9e1d882742dfd4cfddb78cda [1,0,0,0,0,1|2,0,0]=4 483 B9R1.8 CCNc1ccccn1 2525c23bd886b96c78c0be1e9ad1905b [1,0,0,0,0,1|1,0,1]=4 484 B9R1.8 CCNc1cccnc1 e16c06cad87ecb5a3a4a58b6d8537631 [1,0,0,0,0,1|1,0,1]=4 485 B9R1.8 CCNc1cccnn1 8ce46420a68f085572db040256d5d2b7 [1,0,0,0,0,1|1,0,1]=4 486 B9R1.8 CCNc1ccncc1 76118d388bf159fc52a5b3b43773c6d0 [1,0,0,0,0,1|2,0,0]=4 487 B9R1.8 CCNc1ccncn1 e04846be86a5c479e545d0cb402fe182 [1,0,0,0,0,1|1,0,1]=4 488 B9R1.8 CCNc1cnccn1 692286fa82997f2fb685e4d3ad5b2443 [1,0,0,0,0,1|1,0,1]=4 489 B9R1.8 CCNc1ncccn1 e5f30c193b5ab11515bad37a4470b1a9 [1,0,0,0,0,1|1,0,1]=4 490 B9R1.8 CCOc1ccccn1 8b10ed115fcb5b65f209d3b07c05b728 [1,0,0,0,0,1|1,0,1]=4 491 B9R1.8 CCOc1cccnc1 efa582b018c37c3ab155936515b551ea [1,0,0,0,0,1|1,0,1]=4 492 B9R1.8 CCOc1ccncc1 365c1eef106f5326bc3144a980f01ba5 [1,0,0,0,0,1|2,0,0]=4 493 B9R1.8 CCOc1cnccn1 aa9d1d61b4f8dce5da42fe3ddcc6df85 [1,0,0,0,0,1|1,0,1]=4 494 B9R1.8 CCOc1ncccn1 c537ae1cbb412be3ee508a248bc8885d [1,0,0,0,0,1|1,0,1]=4 495 B11R1.40 CCC(=O)Nc1ccccn1 5f642c62afae0a49ab875733e55fde1b [0,0,0,0,0,2|0,0,1]=3 496 B11R1.40 CCC(=O)Nc1cccnc1 3f3732eaee579e7903ad30638bf6459b [0,0,0,0,0,2|0,0,1]=3 497 B11R1.40 CCC(=O)Nc1cccnn1 591c7e40d773c7240b2e6c26eda21683 [0,0,0,0,0,2|0,0,1]=3 498 B11R1.40 CCC(=O)Nc1ccncn1 b77f302a19ddecbb1a61c216faedf774 [0,0,0,0,0,2|0,0,1]=3 499 B11R1.40 CCC(=O)Nc1cnccn1 e2ac897815fa11a06d867bf7943d000f [0,0,0,0,0,2|0,0,1]=3 500 B11R1.40 O=C(CF)Nc1ccccn1 2ce6af3846508f1cbf20b58b7e69e973 [0,0,0,0,0,2|1,0,1]=4 501 B11R1.40 O=C(CF)Nc1cccnc1 5e2dc67f59a0ee35b818f3c738a2672a [0,0,0,0,0,2|1,0,1]=4 502 B11R1.40 O=C(CF)Nc1cccnn1 956ee4b8acdca6d1b3b267a9d3c5501e [0,0,0,0,0,2|1,0,1]=4 503 B11R1.40 O=C(CF)Nc1ccncn1 a44111f60632a2eea12e2d1d61934c5a [0,0,0,0,0,2|1,0,1]=4 504 B11R1.40 O=C(CF)Nc1cnccn1 73cbdadef8b5f740edf1a794b99099cb [0,0,0,0,0,2|1,0,1]=4 505 B11R1.40 O=C(CO)Nc1ccccn1 ac93149c4969ed513b19c3eba5f007d7 [0,0,0,0,0,2|1,0,1]=4 506 B11R1.40 O=C(CO)Nc1cccnc1 c1618f12da4bc6c07033d2147d5e05a1 [0,0,0,0,0,2|1,0,1]=4 507 B11R1.40 O=C(CO)Nc1cccnn1 e2ead558693a8d15dba073147810db17 [0,0,0,0,0,2|1,0,1]=4 508 B11R1.40 O=C(CO)Nc1ccncn1 1ec35e9ab589eb6ea004d772ff8dd3ef [0,0,0,0,0,2|1,0,1]=4 509 B11R1.40 O=C(CO)Nc1cnccn1 48cd2c8639e0b4dc6a2e8e8ea59a849d [0,0,0,0,0,2|1,0,1]=4 510 B11R1.40 O=C(CS)Nc1ccccn1 a5e554850131abc66cd7cf28616b9ec8 [0,0,0,0,0,2|1,0,1]=4 511 B11R1.40 O=C(CS)Nc1cccnn1 41f91dff9cbbc670e95242818cb16a37 [0,0,0,0,0,2|1,0,1]=4 512 B11R1.40 O=C(CS)Nc1cnccn1 6ba52b3c3766ee9a7edfbfe35be30e2b [0,0,0,0,0,2|1,0,1]=4 513 B11R1.25 C=C(CC)CNc1cccs1 691e4bd042ab397e632b12f7150dd97e [0,0,0,0,0,2|2,0,0]=4 514 B11R1.25 C=C(CC)CNc1ncc[nH]1 2818ec4bf9e43fb02c1a54e3cf91afd0 [0,0,0,0,0,2|2,0,0]=4 515 B11R1.25 C=C(CC)COc1ccco1 8404942ce0c127109105c4a4a2ae6d42 [0,0,0,0,0,2|2,0,0]=4 516 B11R1.25 C=C(CC)COc1ccn[nH]1 116aa99dfa9c0859374528e745d10869 [0,0,0,0,0,2|2,0,0]=4 517 B11R1.25 CCC(=O)CNc1cc[nH]n1 e997c6416866c8245ba22b3f18379c2e [0,0,0,0,0,2|1,0,1]=4 518 B11R1.25 CCC(=O)CNc1cccs1 b4fbace754947742811c99821187431d [0,0,0,0,0,2|1,0,0]=3 519 B11R1.25 CCC(=O)CNc1ccno1 88b6fa67dbfd5e0c949f8969664ed5d2 [0,0,0,0,0,2|2,0,0]=4 520 B11R1.25 CCC(=O)CNc1ccns1 85fbab8f51c9456997810486e8fd7296 [0,0,0,0,0,2|2,0,0]=4 521 B11R1.25 CCC(=O)CNc1ccon1 87768a16d4e5a1881f477c6199bf85a0 [0,0,0,0,0,2|1,0,1]=4 522 B11R1.25 CCC(=O)CNc1ccsc1 b98f05fff62b155f52a26f93a77c4323 [0,0,0,0,0,2|2,0,0]=4 523 B11R1.25 CCC(=O)CNc1cncs1 6c4daeb0baf3bb577a1698df3aadcc2a [0,0,0,0,0,2|2,0,0]=4 524 B11R1.25 CCC(=O)CNc1cocn1 1210b9cc4362ce824421d62a1eadb08f [0,0,0,0,0,2|1,0,1]=4 525 B11R1.25 CCC(=O)CNc1cscn1 a30a56d95073ebde8e56e9f8a798b1f0 [0,0,0,0,0,2|1,0,1]=4 526 B11R1.25 CCC(=O)CNc1ncc[nH]1 8e64a0392ed2efd287d7f64a294011d7 [0,0,0,0,0,2|1,0,0]=3 527 B11R1.25 CCC(=O)CNc1ncco1 76440fc14e6f7ad0dd7140ac3ef610d7 [0,0,0,0,0,2|1,0,1]=4 528 B11R1.25 CCC(=O)CNc1nccs1 f96c22ed9aa1e85023b846bc3829aa18 [0,0,0,0,0,2|1,0,1]=4 529 B11R1.25 CCC(=O)COc1c[nH]cn1 ebbdc63684d5436c52d4180c6f23caed [0,0,0,0,0,2|1,0,1]=4 530 B11R1.25 CCC(=O)COc1ccco1 84a63c846c70eaac9456a85969f85a7b [0,0,0,0,0,2|1,0,0]=3 531 B11R1.25 CCC(=O)COc1cccs1 62a1dd7ee9a489d60b74777043a9f2b4 [0,0,0,0,0,2|1,0,0]=3 532 B11R1.25 CCC(=O)COc1ccn[nH]1 ceb504df41067d5da0bee29e9508a12a [0,0,0,0,0,2|1,0,0]=3 533 B11R1.25 CCC(=O)COc1ccsc1 052fbe6d12561c4aec1895c3026d2aa8 [0,0,0,0,0,2|2,0,0]=4 534 B11R1.25 CCC(=O)COc1nccs1 7db71ad47fd7728c3ddad7ba378ac6b5 [0,0,0,0,0,2|1,0,1]=4 535 B11R1.25 CCC(=O)COn1cccn1 9a15b8909c9aa171ac194e49060548a6 [0,0,0,0,0,2|1,0,1]=4 536 B11R1.25 CCC(=O)NCc1ccco1 83a3424c0a2cb7e1166334a3685172c7 [0,0,0,0,0,2|1,0,0]=3 537 B11R1.25 CCC(=O)NCc1cccs1 6c557a7153df782ceae55abb6bb418b3 [0,0,0,0,0,2|1,0,0]=3 538 B11R1.25 CCC(=O)NCc1ccno1 58322e28c7a6659b50819a81f4c4c933 [0,0,0,0,0,2|2,0,0]=4 539 B11R1.25 CCC(=O)NCc1ccns1 c9819aa535efeca49d7cabc83ef3ae5b [0,0,0,0,0,2|2,0,0]=4 540 B11R1.25 CCC(=O)NCc1ccoc1 019db0a416f511a8b3ab418f0ee7c227 [0,0,0,0,0,2|2,0,0]=4 541 B11R1.25 CCC(=O)NCc1ccon1 6366e92ed1a88ce0e764c86b71f0715e [0,0,0,0,0,2|1,0,1]=4 542 B11R1.25 CCC(=O)NCc1ccsc1 bd625af66957d2181c6a9ef822ab4133 [0,0,0,0,0,2|2,0,0]=4 543 B11R1.25 CCC(=O)NCc1ccsn1 936b35ef40f1061cb499b9d85b850543 [0,0,0,0,0,2|1,0,1]=4 544 B11R1.25 CCC(=O)NCc1cnco1 761288d4d2fa2ef7d951297da2e35f88 [0,0,0,0,0,2|2,0,0]=4 545 B11R1.25 CCC(=O)NCc1cncs1 642bc0d4cafddf9cfcfcd52e8a1581c9 [0,0,0,0,0,2|2,0,0]=4 546 B11R1.25 CCC(=O)NCc1cocn1 3cd8317583d3b66432aef148bb9d4668 [0,0,0,0,0,2|1,0,1]=4 547 B11R1.25 CCC(=O)NCc1cscn1 bf38b5d479d0b75d3c0776e9b580e1e0 [0,0,0,0,0,2|1,0,1]=4 548 B11R1.25 CCC(=O)NCc1ncco1 e578991323529f456c684a1a876e4365 [0,0,0,0,0,2|1,0,1]=4 549 B11R1.25 CCC(=O)NCc1nccs1 ef8f755cf84c310f41b86bcd4a497d12 [0,0,0,0,0,2|1,0,1]=4 550 B11R1.25 CCC(C)NCc1ccc[nH]1 dfe1641eb23b0efdceb0290726a654e3 [0,0,0,0,0,2|1,0,1]=4 551 B11R1.25 CCC(C)OCc1ccc[nH]1 9704405f8dd480f3861820e81be98d46 [0,0,0,0,0,2|1,0,1]=4 552 B11R1.25 CNC(=O)CNc1ccco1 9fb8fe20e0faec38b11cfc6e904e8b91 [0,0,0,0,0,2|2,0,0]=4 553 B11R1.25 CNC(=O)CNc1cccs1 6f087d70dc1595761c626ef8cc8ed2e1 [0,0,0,0,0,2|2,0,0]=4 554 B11R1.25 CNC(=O)CNc1ncc[nH]1 4b0c222e31cfcc3b6b5256279cd5cd88 [0,0,0,0,0,2|2,0,0]=4 555 B11R1.25 CNC(=O)COc1ccco1 8de653ac0ba8299d76630db6851014dc [0,0,0,0,0,2|2,0,0]=4 556 B11R1.25 CNC(=O)COc1cccs1 591444907ff3d0e617e25662bdc82222 [0,0,0,0,0,2|2,0,0]=4 557 B11R1.25 CNC(=O)COc1ccn[nH]1 190593abd8ed2aa5d62e6d95d5e4d2e6 [0,0,0,0,0,2|2,0,0]=4 558 B11R1.25 COC(=O)CNc1ccco1 3a8934ef990493a0e0bc38424c480317 [0,0,0,0,0,2|2,0,0]=4 559 B11R1.25 COC(=O)CNc1cccs1 59d52dc657b50ac2b04e7700320d3026 [0,0,0,0,0,2|2,0,0]=4 560 B11R1.25 COC(=O)CNc1ncc[nH]1 7c9601fb92d5394e0818a2daf4963f44 [0,0,0,0,0,2|2,0,0]=4 561 B11R1.25 COC(=O)COc1ccco1 7e5bb533074d72185d76d28364661292 [0,0,0,0,0,2|2,0,0]=4 562 B11R1.25 COC(=O)COc1cccs1 700d40abb2597ef2d3922f15e3e62a6a [0,0,0,0,0,2|2,0,0]=4 563 B11R1.25 COC(=O)COc1ccn[nH]1 473876902948e14af52334fb1914f11e [0,0,0,0,0,2|2,0,0]=4 564 B11R1.25 O=C(CF)NCc1ccco1 84588230b201d06c07b9a063871937ae [0,0,0,0,0,2|2,0,0]=4 565 B11R1.25 O=C(CF)NCc1cccs1 da3b7d350577e65c6692e055abd20b60 [0,0,0,0,0,2|2,0,0]=4 566 B11R1.25 O=C(CO)CNc1cccs1 2fa55ac8bbb5c873ad00e48a9966c29f [0,0,0,0,0,2|2,0,0]=4 567 B11R1.25 O=C(CO)CNc1ncc[nH]1 69704ea6c43fc74150b022b23878a3c0 [0,0,0,0,0,2|2,0,0]=4 568 B11R1.25 O=C(CO)NCc1ccco1 df70aa8594e340b9ca90aef387447fda [0,0,0,0,0,2|2,0,0]=4 569 B11R1.25 O=C(CO)NCc1cccs1 99ae0ae91c0a822e251b5bff14f6cde8 [0,0,0,0,0,2|2,0,0]=4 570 B11R1.25 O=C(CS)NCc1ccco1 cd6653eaf0be7fe394f59c7de3df0476 [0,0,0,0,0,2|2,0,0]=4 571 B11R1.25 O=C(CS)NCc1cccs1 ae334004146e0d855e3ddc67faa76e34 [0,0,0,0,0,2|2,0,0]=4