0 B9R1.6 CC(=O)N1CC=CCC1 941519b4d56d0edbf71c96ca78449316 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.15 CCN(C)c1ccccc1 9cc6568b1f30abe04427bdea858da30e [0,1,0,0,0,0|3,0,0]=4 2 B10R1.15 CCN(C)c1cccnc1 04b21f569d4c75e23135eca19e8dfd7f [0,1,0,0,0,0|2,0,0]=3 3 B10R1.15 CCN(C)c1ccnnc1 1ac91ab60a635fb5329291a771fa3c6f [0,1,0,0,0,0|3,0,0]=4 4 B10R1.15 CCN(C)c1cnccn1 a8ffa0df115721fdc6dd2269b8097d32 [0,1,0,0,0,0|3,0,0]=4 5 B10R1.15 CN(C=O)c1ccccn1 48011329103c524c4b63577b588cdb27 [0,1,0,0,0,0|3,0,0]=4 6 B10R1.15 CN(C=O)c1cccnc1 c200b85f739a703bfa35217d599e46e7 [0,1,0,0,0,0|1,0,0]=2 7 B10R1.15 CN(C=O)c1cccnn1 bb6c9a4d3ed3a56597c0fa4d221ca30b [0,1,0,0,0,0|2,0,0]=3 8 B10R1.15 CN(C=O)c1ccncc1 9cc48dd486f2ee4c03255d677df658bd [0,1,0,0,0,0|3,0,0]=4 9 B10R1.15 CN(C=O)c1ccnnc1 e2ebf1a31d3d52b6cc6cfffa8c5ad13e [0,1,0,0,0,0|2,0,0]=3 10 B10R1.15 CN(CF)c1cccnc1 242d56eee61bf5da227aba2cc8ffb8a2 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.15 CN(CF)c1cccnn1 87ccbbd311af984b471e31f39b7d88c9 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.15 CN(CF)c1ccnnc1 0c9da5c6da60c83529fa5fe8b531fc7e [0,1,0,0,0,0|3,0,0]=4 13 B10R1.15 CN(CF)c1cnccn1 a9fa5c6bd903856b36188b1f0c8b1c0b [0,1,0,0,0,0|3,0,0]=4 14 B10R1.15 CN(CO)c1cccnc1 021ae75de63d9271d48b9d5b4bd35a1c [0,1,0,0,0,0|1,0,1]=3 15 B10R1.15 CN(CO)c1cccnn1 be811b1cf960929fa458e0250d378c6f [0,1,0,0,0,0|2,0,1]=4 16 B10R1.15 CN(CO)c1ccnnc1 3ebc8b69df9d99c700bae61759c92f97 [0,1,0,0,0,0|2,0,1]=4 17 B10R1.15 CN(CO)c1cnccn1 789c6aa6696e30e272870a4861e371ee [0,1,0,0,0,0|2,0,1]=4 18 B8R1.7 CC(=O)N1CC=CC1 e11b9582e24204de984b55633fe5316e [0,0,0,0,1,0|1,0,2]=4 19 B10R1.18 CC(=O)Nc1ccccn1 eb929aff8406d4b1d349799cd9970928 [0,0,0,0,0,1|2,0,0]=3 20 B10R1.18 CC(=O)Nc1cccnc1 3ff4f8eaa45b955bdc1d480af270b630 [0,0,0,0,0,1|0,0,0]=1 21 B10R1.18 CC(=O)Nc1cccnn1 0f494122953745d5434019dc2597dec3 [0,0,0,0,0,1|1,0,0]=2 22 B10R1.18 CC(=O)Nc1ccncc1 c780044b958d7764a2638254ebdd3ded [0,0,0,0,0,1|2,0,0]=3 23 B10R1.18 CC(=O)Nc1ccncn1 21d9a226b27ccfaa0b4194dd907a60f4 [0,0,0,0,0,1|3,0,0]=4 24 B10R1.18 CC(=O)Nc1ccnnc1 13b7327c392c1dda0e0267bb7d63e990 [0,0,0,0,0,1|1,0,0]=2 25 B10R1.18 CC(=O)Nc1cnccn1 de63828007b663ee737a5f03044b51d4 [0,0,0,0,0,1|1,0,0]=2 26 B10R1.18 CC(C)Nc1ccccc1 678b2595d663b993cd638fb4df86366a [0,0,0,0,0,1|2,0,1]=4 27 B10R1.18 CC(C)Nc1cccnc1 b32b013363863cea153240b96e97c19f [0,0,0,0,0,1|1,0,1]=3 28 B10R1.18 CC(C)Nc1cccnn1 7e8e9cb3fe00dc0cd26a09d7d65a05b1 [0,0,0,0,0,1|2,0,1]=4 29 B10R1.18 CC(C)Nc1ccnnc1 ca5f97416f9a66603da37ac043765b94 [0,0,0,0,0,1|2,0,1]=4 30 B10R1.18 CC(C)Nc1cnccn1 58156a1e8faa75eacf930a892d9c44a0 [0,0,0,0,0,1|2,0,1]=4 31 B10R1.18 CC(C)Nc1cncnc1 58c88f3a700af3acdb4e2b5e448ab47a [0,0,0,0,0,1|2,0,1]=4 32 B10R1.18 CC(C)Oc1cccnc1 2d5fbf8b6573bcaaa6ad1437daf348fa [0,0,0,0,0,1|1,0,1]=3 33 B10R1.18 CC(C)Oc1ccnnc1 5f378768fb399f97727c7d2434a4ccad [0,0,0,0,0,1|2,0,1]=4 34 B10R1.18 CC(C)Oc1cnccn1 f445429d4d0106398179ba53f8ca2052 [0,0,0,0,0,1|2,0,1]=4 35 B10R1.18 CC(C)Oc1cncnc1 987ff7423f824d1dd79f18db733241ff [0,0,0,0,0,1|2,0,1]=4 36 B7R0.3 C=CCOC(=C)C=O e6886899fd17c4b0e35e10fadb840144 [1,0,1,0,0,0|2,0,0]=4 37 B9R1.8 CCNc1ccccc1 33257e4a9e1d882742dfd4cfddb78cda [1,1,0,0,0,0|1,0,1]=4 38 B9R1.8 CCNc1cccnc1 e16c06cad87ecb5a3a4a58b6d8537631 [1,1,0,0,0,0|0,0,1]=3 39 B9R1.8 CCNc1cccnn1 8ce46420a68f085572db040256d5d2b7 [1,1,0,0,0,0|1,0,1]=4 40 B9R1.8 CCNc1ccnnc1 84df08ea46526da8091efc8e7dc98bc3 [1,1,0,0,0,0|1,0,1]=4 41 B9R1.8 CCNc1cnccn1 692286fa82997f2fb685e4d3ad5b2443 [1,1,0,0,0,0|1,0,1]=4 42 B9R1.8 CCNc1cncnc1 d22064ed1cc1956224a6568ef26d5099 [1,1,0,0,0,0|1,0,1]=4 43 B9R1.8 CCOc1cccnc1 efa582b018c37c3ab155936515b551ea [1,1,0,0,0,0|0,0,1]=3 44 B9R1.8 CCOc1ccnnc1 495bf99ef1353fb62f88bfe5786129d6 [1,1,0,0,0,0|1,0,1]=4 45 B9R1.8 CCOc1cnccn1 aa9d1d61b4f8dce5da42fe3ddcc6df85 [1,1,0,0,0,0|1,0,1]=4 46 B9R1.8 CCOc1cncnc1 8629022d8ea6564de249e44f3cfd1da9 [1,1,0,0,0,0|1,0,1]=4 47 B9R1.8 FCNc1ccccc1 c8185de2a7206057ede93409452a493c [1,1,0,0,0,0|2,0,0]=4 48 B9R1.8 FCNc1cccnc1 cd4b988ac9022e9beb52f2fd6e6d3819 [1,1,0,0,0,0|1,0,0]=3 49 B9R1.8 FCNc1cccnn1 b8bf7f385d541b86a7f5923a27fa760f [1,1,0,0,0,0|2,0,0]=4 50 B9R1.8 FCNc1ccnnc1 bbb607e362c8df8df0e1a73eff88c7de [1,1,0,0,0,0|2,0,0]=4 51 B9R1.8 FCNc1cnccn1 3cbe94cf9594c68ec8b94825e8905ed8 [1,1,0,0,0,0|2,0,0]=4 52 B9R1.8 FCNc1cncnc1 49689598886657fafe98ac3f8f7ecc0b [1,1,0,0,0,0|2,0,0]=4 53 B9R1.8 FCOc1cccnc1 613341899f57b52454964b4cd6fd2e82 [1,1,0,0,0,0|1,0,0]=3 54 B9R1.8 FCOc1ccnnc1 05f5ab7b1fae92c97a253676b278beab [1,1,0,0,0,0|2,0,0]=4 55 B9R1.8 FCOc1cnccn1 e656ed16372ac6d21dfc0a12172339fc [1,1,0,0,0,0|2,0,0]=4 56 B9R1.8 FCOc1cncnc1 dbacbc810d9b1ecd830119e3cd67df78 [1,1,0,0,0,0|2,0,0]=4 57 B9R1.8 O=CNc1ccccn1 881aba1a1d89f4a286d5001a309ad574 [1,1,0,0,0,0|2,0,0]=4 58 B9R1.8 O=CNc1cccnc1 355201612949cfa8d6342c6af1c523a5 [1,1,0,0,0,0|0,0,0]=2 59 B9R1.8 O=CNc1cccnn1 c879f8306314a65926ae67496fe730c3 [1,1,0,0,0,0|1,0,0]=3 60 B9R1.8 O=CNc1ccncc1 e7930a19a74453c18ec50a777f694607 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.8 O=CNc1ccnnc1 c975d80dcdcbf9e971ef09ad97a634c5 [1,1,0,0,0,0|1,0,0]=3 62 B9R1.8 O=CNc1cnccn1 ec20f366f13fc090e89d88d03c632299 [1,1,0,0,0,0|1,0,0]=3 63 B9R1.8 OCNc1ccccc1 6a26daba1a11b7282126aadb7f7b8f97 [1,1,0,0,0,0|2,0,0]=4 64 B9R1.8 OCNc1cccnc1 68add967e09ec2eee2b71061a3bb94f5 [1,1,0,0,0,0|1,0,0]=3 65 B9R1.8 OCNc1cccnn1 d8959988e09873d44f8b640f1fe386e3 [1,1,0,0,0,0|2,0,0]=4 66 B9R1.8 OCNc1ccnnc1 3894cb787e7b8600c63a04771d062bff [1,1,0,0,0,0|2,0,0]=4 67 B9R1.8 OCNc1cnccn1 a22ea0b3c17d02d754f571b9860bc923 [1,1,0,0,0,0|2,0,0]=4 68 B9R1.8 OCNc1cncnc1 f94e24e43a9b982a2515c894be0cdeee [1,1,0,0,0,0|2,0,0]=4 69 B9R1.11 CN(C=O)c1ccon1 948461c4b237b91a83f8b8dd0558ee15 [0,1,0,0,1,0|2,0,0]=4 70 B9R1.11 CN(C=O)c1ccsc1 8f15e9acca9aeb51f07a52c03adb4c19 [0,1,0,0,1,0|2,0,0]=4 71 B9R1.11 CN(C=O)c1cnoc1 e838d5458882aa345427776b1aae6b92 [0,1,0,0,1,0|2,0,0]=4 72 B9R1.11 CN(C=O)c1ncco1 df93436003864182c95235dcf760a9ee [0,1,0,0,1,0|2,0,0]=4 73 B9R1.11 CN(C=O)c1nccs1 c41a5a41dc66ecd9157809060ed84b66 [0,1,0,0,1,0|2,0,0]=4 74 B11R1.20 CC(=O)Nc1ccc(cc1)C 060ccd1dbafbff371ab707f9c77c6f54 [0,1,0,0,0,1|1,0,0]=3 75 B11R1.20 CC(=O)Nc1ccc(cc1)F 35105970c39c6553f59bdacc3f8071bb [0,1,0,0,0,1|1,0,0]=3 76 B11R1.20 CC(=O)Nc1ccc(cc1)I c967834114ba48c24e889d26c320f98c [0,1,0,0,0,1|1,0,0]=3 77 B11R1.20 CC(=O)Nc1ccc(cc1)O e18f517b63a8d6b7b93bbe5e1805e49b [0,1,0,0,0,1|1,0,0]=3 78 B11R1.20 CC(=O)Nc1ccc(cc1)S 7fe298b0f3eca305b78c07db23ad9c9f [0,1,0,0,0,1|1,0,0]=3 79 B11R1.20 CC(=O)Nc1ccc(cn1)C 2566880c2cbd95238b8573fbab7352b5 [0,1,0,0,0,1|2,0,0]=4 80 B11R1.20 CC(=O)Nc1ccc(cn1)F 3f83a13c2f6c9200683a59445f5568b5 [0,1,0,0,0,1|2,0,0]=4 81 B11R1.20 CC(=O)Nc1ccc(cn1)I f69d5717020ba5469ac098b5ee595c2e [0,1,0,0,0,1|2,0,0]=4 82 B11R1.20 CC(=O)Nc1ccc(cn1)O 1774c40981e4bef395b20bb0cec3048d [0,1,0,0,0,1|2,0,0]=4 83 B11R1.20 CC(=O)Nc1ccc(nc1)C 99de9776e76b302c70f1b2299cc60df4 [0,1,0,0,0,1|0,0,0]=2 84 B11R1.20 CC(=O)Nc1ccc(nc1)F d95b06008ed9858976947678a788c0d4 [0,1,0,0,0,1|0,0,0]=2 85 B11R1.20 CC(=O)Nc1ccc(nc1)I 4875ca9d40de97c8bc9a2f1b043085ee [0,1,0,0,0,1|0,0,0]=2 86 B11R1.20 CC(=O)Nc1ccc(nn1)C 2db771cb7b1752060e5ab3d9558a55a5 [0,1,0,0,0,1|1,0,0]=3 87 B11R1.20 CC(=O)Nc1ccc(nn1)F fc0d35190b7248272f72c3b72d04d6de [0,1,0,0,0,1|1,0,0]=3 88 B11R1.20 CC(=O)Nc1ccc(nn1)I 103ba66fdc9246aa4c61c11e7f6e8337 [0,1,0,0,0,1|1,0,0]=3 89 B11R1.20 CC(=O)Nc1ccc(nn1)O 446c9b33355b6db90284ef3ae74ace6f [0,1,0,0,0,1|1,0,0]=3 90 B11R1.20 CC(=O)Nc1cnc(cn1)C 9e5149615a867d36276f957f71175a41 [0,1,0,0,0,1|1,0,0]=3 91 B11R1.20 CC(=O)Nc1cnc(cn1)I 21bc22ad112fe01077ff258cec8c3b14 [0,1,0,0,0,1|1,0,0]=3 92 B11R1.20 CC(C)Nc1ccc(nc1)Br a219ac4b34332eb3738a2d60093d25ca [0,1,0,0,0,1|1,0,1]=4 93 B11R1.20 CC(C)Nc1ccc(nc1)Cl cd874efcc56ef7f4e81f67a347da5256 [0,1,0,0,0,1|1,0,1]=4 94 B11R1.20 CC(C)Nc1ccc(nc1)F e5037e278c2deb1da56d4dd59d5edb3e [0,1,0,0,0,1|1,0,1]=4 95 B11R1.20 CC(C)Oc1ccc(nc1)Br 03387980ed704f1b91f33115fdf148c9 [0,1,0,0,0,1|1,0,1]=4 96 B11R1.20 CC(C)Oc1ccc(nc1)Cl bf70b6eb15a088db8ddeb63733ed08d7 [0,1,0,0,0,1|1,0,1]=4 97 B11R1.20 CC(C)Oc1ccc(nc1)F c1100a1e2d454cfe8c3cbbc5d6e5727d [0,1,0,0,0,1|1,0,1]=4 98 B11R1.20 CC(C)Oc1ccc(nc1)I 86c15c6da9d65de15ebd86f541f4105e [0,1,0,0,0,1|1,0,1]=4 99 B11R1.20 Cc1ccc(cn1)NC(C)C 743454483328eed9afd36a5108a5fde3 [0,1,0,0,0,1|1,0,1]=4 100 B11R1.20 Cc1ccc(cn1)OC(C)C 587bf2eefeb78be461683015f0e1ab8b [0,1,0,0,0,1|1,0,1]=4 101 B11R1.36 CC(=O)N(C)c1ccccn1 3b204f817d8bae885450195e4bca3293 [0,1,0,0,0,1|2,0,0]=4 102 B11R1.36 CC(=O)N(C)c1cccnc1 99d370e4887dccbc66fa5e316a815456 [0,1,0,0,0,1|0,0,0]=2 103 B11R1.36 CC(=O)N(C)c1cccnn1 019bdf2b41b50b3dc4c1fbd9a45824e4 [0,1,0,0,0,1|1,0,0]=3 104 B11R1.36 CC(=O)N(C)c1ccncc1 92a60507d9bf675ae196cc0294354361 [0,1,0,0,0,1|2,0,0]=4 105 B11R1.36 CC(=O)N(C)c1ccnnc1 7b7b0659475cefeb9f34385b51243dc3 [0,1,0,0,0,1|1,0,0]=3 106 B11R1.36 CC(=O)N(C)c1cnccn1 7d8fc7dfc94af72e401da7941f18789c [0,1,0,0,0,1|1,0,0]=3 107 B11R1.40 C#CC(=O)Nc1cccnc1 fede9ede802accf01a2dd7068bdd2f92 [0,1,0,0,0,1|0,0,1]=3 108 B11R1.40 C#CC(=O)Nc1cccnn1 9ad4de692c3f2b3f3bb452dfdfae824a [0,1,0,0,0,1|1,0,1]=4 109 B11R1.40 C#CC(=O)Nc1ccnnc1 e97a3fedff3d556d961a4ad79afe5784 [0,1,0,0,0,1|1,0,1]=4 110 B11R1.40 C#CC(=O)Nc1cnccn1 4b36f726c232f1d4ac2163b96818a611 [0,1,0,0,0,1|1,0,1]=4 111 B11R1.40 C#CC(C)Nc1cccnc1 cfbe38280031a5b1bea7126930aebd77 [0,1,0,0,0,1|1,0,1]=4 112 B11R1.40 C=CC(=O)Nc1ccccc1 5f69a60f76bf8d4845a783c3048b2563 [0,1,0,0,0,1|1,0,1]=4 113 B11R1.40 C=CC(=O)Nc1cccnc1 de5c772a8cda94a68da43551d49c0fce [0,1,0,0,0,1|0,0,1]=3 114 B11R1.40 C=CC(=O)Nc1cccnn1 b0c331c7674c74b9a074ca9d88d52bd4 [0,1,0,0,0,1|1,0,1]=4 115 B11R1.40 C=CC(=O)Nc1ccnnc1 bb65c517049238b0258f3b8f2eeaa12d [0,1,0,0,0,1|1,0,1]=4 116 B11R1.40 C=CC(=O)Nc1cnccn1 0750844e1718f30f6356a67d8d5f5dcf [0,1,0,0,0,1|1,0,1]=4 117 B11R1.40 C=CC(=O)Nc1cncnc1 9b4072e0da3d142f1e2f8a7c131946f9 [0,1,0,0,0,1|1,0,1]=4 118 B11R1.40 C=CC(C)Nc1cccnc1 103a7e1883d7a333825583600980cdee [0,1,0,0,0,1|1,0,1]=4 119 B11R1.40 C=CC(C)Oc1cccnc1 d79b86e283fff567ebdcf80f360890ce [0,1,0,0,0,1|1,0,1]=4 120 B11R1.40 CC(C#N)Nc1cccnc1 da7dd839df2b3e32656f7151ae7c86a2 [0,1,0,0,0,1|1,0,1]=4 121 B11R1.40 CC(C=O)Nc1ccccc1 0d04ec44ee6fe8b8d4f3d71cd15333ba [0,1,0,0,0,1|1,0,1]=4 122 B11R1.40 CC(C=O)Nc1cccnc1 d9c7b2b4935781413d4a985313466b9b [0,1,0,0,0,1|0,0,1]=3 123 B11R1.40 CC(C=O)Nc1cccnn1 f41444e7551c51087a4ae36908695441 [0,1,0,0,0,1|1,0,1]=4 124 B11R1.40 CC(C=O)Nc1ccnnc1 7135314c77e1e7a01a51892873433fbf [0,1,0,0,0,1|1,0,1]=4 125 B11R1.40 CC(C=O)Nc1cnccn1 ca669a34fd29c06e16c362add7ff1bce [0,1,0,0,0,1|1,0,1]=4 126 B11R1.40 CC(C=O)Nc1cncnc1 dbf6707db9d2a7b2f1e17b219fabb075 [0,1,0,0,0,1|1,0,1]=4 127 B11R1.40 CC(C=O)Oc1cccnc1 e37888c7c991d828e39da1a6807dceaa [0,1,0,0,0,1|0,0,1]=3 128 B11R1.40 CC(C=O)Oc1ccnnc1 960d99b225fc0dbb7b516ae7293716c1 [0,1,0,0,0,1|1,0,1]=4 129 B11R1.40 CC(C=O)Oc1cnccn1 e77f8a263c09c3973bbf702d318415d9 [0,1,0,0,0,1|1,0,1]=4 130 B11R1.40 CC(C=O)Oc1cncnc1 92b7c4fa798d11354a923083f00d0aa7 [0,1,0,0,0,1|1,0,1]=4 131 B11R1.40 CC(CO)Nc1cccnc1 1993973453fc1c9eb0295a2e45197541 [0,1,0,0,0,1|0,0,2]=4 132 B11R1.40 CCC(=O)Nc1ccccn1 5f642c62afae0a49ab875733e55fde1b [0,1,0,0,0,1|2,0,0]=4 133 B11R1.40 CCC(=O)Nc1cccnc1 3f3732eaee579e7903ad30638bf6459b [0,1,0,0,0,1|0,0,0]=2 134 B11R1.40 CCC(=O)Nc1cccnn1 591c7e40d773c7240b2e6c26eda21683 [0,1,0,0,0,1|1,0,0]=3 135 B11R1.40 CCC(=O)Nc1cnccn1 e2ac897815fa11a06d867bf7943d000f [0,1,0,0,0,1|1,0,0]=3 136 B11R1.40 CCC(C)Nc1cccnc1 a0e745f4d44915557790daf72381f523 [0,1,0,0,0,1|1,0,1]=4 137 B11R1.40 CCC(C)Oc1cccnc1 ea8ea3a935f9f1da0dc64162c872e010 [0,1,0,0,0,1|1,0,1]=4 138 B11R1.40 CCN(C)Cc1cccnc1 69e9bc72fe902e2c097b1bc797c43254 [0,1,0,0,0,1|2,0,0]=4 139 B11R1.40 CC[C@@H](C)Nc1cccnc1 d5c354fec9aa4824593a6aa370b31f97 [0,1,0,0,0,1|1,0,1]=4 140 B11R1.40 CC[C@H](C)Nc1cccnc1 a188aeb369243191dc243d4fb98ce075 [0,1,0,0,0,1|1,0,1]=4 141 B11R1.40 CN(C=O)Cc1ccccc1 701ed8237afa851586621908f176512f [0,1,0,0,0,1|2,0,0]=4 142 B11R1.40 CN(C=O)Cc1cccnc1 ffa035f03a82f49c9d004e6e7105924f [0,1,0,0,0,1|1,0,0]=3 143 B11R1.40 CN(C=O)Cc1ccnnc1 6aa9c7337d8579b656d7d9ee8da74d21 [0,1,0,0,0,1|2,0,0]=4 144 B11R1.40 CN(C=O)Cc1cnccn1 b9f2001685a2ed99942d5f26418f6b7e [0,1,0,0,0,1|2,0,0]=4 145 B11R1.40 CN(C=O)Cc1cncnc1 cefad9e7e848a34b6a841a561710dec7 [0,1,0,0,0,1|2,0,0]=4 146 B11R1.40 CN(CF)Cc1cccnc1 da4d9171379b3361244699d43a3a0472 [0,1,0,0,0,1|2,0,0]=4 147 B11R1.40 CN(CO)Cc1cccnc1 bdae5dd3c0107b4a15ddef98331c4b4c [0,1,0,0,0,1|1,0,1]=4 148 B11R1.40 C[C@@H](CO)Nc1cccnc1 b4b83540aa924934ce25b37024c4f475 [0,1,0,0,0,1|0,0,2]=4 149 B11R1.40 C[C@H](C=O)Nc1ccccc1 10a4433daba67da13987d6e7cd5b7f0f [0,1,0,0,0,1|1,0,1]=4 150 B11R1.40 C[C@H](C=O)Nc1cccnc1 fedeaeec69f602e704c38cd1adea1d8e [0,1,0,0,0,1|0,0,1]=3 151 B11R1.40 C[C@H](C=O)Nc1cccnn1 d5dc60d8cb88bbcccc9cff59b5cb66c4 [0,1,0,0,0,1|1,0,1]=4 152 B11R1.40 C[C@H](C=O)Nc1ccnnc1 63246a98e993a20f559f25157e6aa6df [0,1,0,0,0,1|1,0,1]=4 153 B11R1.40 C[C@H](C=O)Nc1cnccn1 4c60062904b679381801663797286554 [0,1,0,0,0,1|1,0,1]=4 154 B11R1.40 C[C@H](C=O)Nc1cncnc1 bc55ecbf47eebf35db495bd6302ccf88 [0,1,0,0,0,1|1,0,1]=4 155 B11R1.40 C[C@H](C=O)Oc1cccnc1 55db0365e7488258d11fe983dbcaf255 [0,1,0,0,0,1|0,0,1]=3 156 B11R1.40 C[C@H](C=O)Oc1ccnnc1 d7a4fb9bbc6f8e4add0462267acb3f34 [0,1,0,0,0,1|1,0,1]=4 157 B11R1.40 C[C@H](C=O)Oc1cnccn1 b9a474b6d34bbaaa48c5d556feded984 [0,1,0,0,0,1|1,0,1]=4 158 B11R1.40 C[C@H](C=O)Oc1cncnc1 62af53ecbbc06f256097a3ea5ee960ae [0,1,0,0,0,1|1,0,1]=4 159 B11R1.40 C[C@H](CO)Nc1cccnc1 0388d126da012bf4a1e005fb7424e864 [0,1,0,0,0,1|0,0,2]=4 160 B11R1.40 O=C(CF)Nc1ccccn1 2ce6af3846508f1cbf20b58b7e69e973 [0,1,0,0,0,1|2,0,0]=4 161 B11R1.40 O=C(CF)Nc1cccnc1 5e2dc67f59a0ee35b818f3c738a2672a [0,1,0,0,0,1|0,0,0]=2 162 B11R1.40 O=C(CF)Nc1cccnn1 956ee4b8acdca6d1b3b267a9d3c5501e [0,1,0,0,0,1|1,0,0]=3 163 B11R1.40 O=C(CF)Nc1cnccn1 73cbdadef8b5f740edf1a794b99099cb [0,1,0,0,0,1|1,0,0]=3 164 B11R1.40 O=C(CO)Nc1ccccn1 ac93149c4969ed513b19c3eba5f007d7 [0,1,0,0,0,1|2,0,0]=4 165 B11R1.40 O=C(CO)Nc1cccnc1 c1618f12da4bc6c07033d2147d5e05a1 [0,1,0,0,0,1|0,0,0]=2 166 B11R1.40 O=C(CO)Nc1cccnn1 e2ead558693a8d15dba073147810db17 [0,1,0,0,0,1|1,0,0]=3 167 B11R1.40 O=C(CO)Nc1cnccn1 48cd2c8639e0b4dc6a2e8e8ea59a849d [0,1,0,0,0,1|1,0,0]=3 168 B11R1.40 O=C(CS)Nc1ccccn1 a5e554850131abc66cd7cf28616b9ec8 [0,1,0,0,0,1|2,0,0]=4 169 B11R1.40 O=C(CS)Nc1cccnn1 41f91dff9cbbc670e95242818cb16a37 [0,1,0,0,0,1|1,0,0]=3 170 B11R1.40 O=C(CS)Nc1cnccn1 6ba52b3c3766ee9a7edfbfe35be30e2b [0,1,0,0,0,1|1,0,0]=3 171 B11R1.40 O=CC(=O)Nc1ccccc1 d69489ae088f523aa236921a313e92a5 [0,1,0,0,0,1|1,0,1]=4 172 B11R1.40 O=CC(=O)Nc1cccnc1 4483235651c46310384ecdfb83cf0459 [0,1,0,0,0,1|0,0,1]=3 173 B11R1.40 O=CC(=O)Nc1cccnn1 b30b17eef6f779e83d53fbee2dd15d57 [0,1,0,0,0,1|1,0,1]=4 174 B11R1.40 O=CC(=O)Nc1ccnnc1 478bc45f9e8b5f84f0b4c7f1d8dd1618 [0,1,0,0,0,1|1,0,1]=4 175 B11R1.40 O=CC(=O)Nc1cnccn1 1b4db28b2217e8524dd00b0444a0d0b1 [0,1,0,0,0,1|1,0,1]=4 176 B11R1.86 CC(=O)Nc1ccccc1C 7049a69ccf4e362820a37d19b9dcdc8e [0,1,0,0,0,1|1,0,0]=3 177 B11R1.86 CC(=O)Nc1ccccc1F 8577dda07f10b24e878efc2b8c63979b [0,1,0,0,0,1|1,0,0]=3 178 B11R1.86 CC(=O)Nc1ccccc1I def7ccb67f6a04593a954aa370725476 [0,1,0,0,0,1|1,0,0]=3 179 B11R1.86 CC(=O)Nc1ccccc1O e286e23dcc389b9a19e5097225c5ef71 [0,1,0,0,0,1|1,0,0]=3 180 B11R1.86 CC(=O)Nc1ccccc1S 1242ce70ea265424048fd46add1f1131 [0,1,0,0,0,1|1,0,0]=3 181 B11R1.86 CC(=O)Nc1cccnc1C cb746ed6a78728abfd09af911ecd9df1 [0,1,0,0,0,1|0,0,0]=2 182 B11R1.86 CC(=O)Nc1cccnc1Cl d6108d611ff0956d8f248587b24194a3 [0,1,0,0,0,1|0,0,0]=2 183 B11R1.86 CC(=O)Nc1cccnc1F 14d1358323375dfcd1ff37fd32da5eb9 [0,1,0,0,0,1|0,0,0]=2 184 B11R1.86 CC(=O)Nc1cccnc1I 467bfbcd2f98dc2da33396f6c3169a29 [0,1,0,0,0,1|0,0,0]=2 185 B11R1.86 CC(=O)Nc1cccnc1O 7fcf288ae770f8f4e3cf6493eee6512f [0,1,0,0,0,1|0,0,0]=2 186 B11R1.86 CC(=O)Nc1ccncc1C c5c42e159450bf609b124aefb3b1a0c2 [0,1,0,0,0,1|2,0,0]=4 187 B11R1.86 CC(=O)Nc1ccncc1F c0f8b81507f6f0da50422e6a37679a28 [0,1,0,0,0,1|2,0,0]=4 188 B11R1.86 CC(=O)Nc1ccncc1I dc888df548d325d9701c437394dfdc81 [0,1,0,0,0,1|2,0,0]=4 189 B11R1.86 CC(=O)Nc1ccnnc1C cadb49c5a9c58bf00b9e5a551cd24f13 [0,1,0,0,0,1|1,0,0]=3 190 B11R1.86 CC(=O)Nc1cnccc1C 008c73bad38e7c0ad3042f8c5e2eeef6 [0,1,0,0,0,1|0,0,0]=2 191 B11R1.86 CC(=O)Nc1cnccc1F fb86cc23bed5784da517c22693fa424f [0,1,0,0,0,1|0,0,0]=2 192 B11R1.86 CC(=O)Nc1cnccc1I f9bbe3b48c30df8d0dae6d2447ab7b64 [0,1,0,0,0,1|0,0,0]=2 193 B11R1.86 CC(=O)Nc1cnccc1O 026ebb27f2a3ead3d67bfa6a1c65cef8 [0,1,0,0,0,1|0,0,0]=2 194 B11R1.86 CC(=O)Nc1ncccc1C 3c6d5cf596b0e21248657879e826b561 [0,1,0,0,0,1|2,0,0]=4 195 B11R1.86 CC(=O)Nc1ncccc1Cl 046176b1d66345ef27a31d8dec48e176 [0,1,0,0,0,1|2,0,0]=4 196 B11R1.86 CC(=O)Nc1ncccc1F 538d1f7d9dce9c391c2889dad2906996 [0,1,0,0,0,1|2,0,0]=4 197 B11R1.86 CC(=O)Nc1ncccc1I e16450fdd7c598f0519f5a1ac3923512 [0,1,0,0,0,1|2,0,0]=4 198 B11R1.86 CC(=O)Nc1ncccc1O b5c4643233d4c0cd6f7c1f9da29da199 [0,1,0,0,0,1|2,0,0]=4 199 B11R1.86 CC(=O)Nc1nccnc1C 91307da892d26270c50ec6b371044d57 [0,1,0,0,0,1|1,0,0]=3 200 B11R1.86 CC(=O)Nc1nccnc1Cl 73358f12f40bca8d83f664898a1a7cda [0,1,0,0,0,1|1,0,0]=3 201 B11R1.86 CC(=O)Nc1nccnc1I 329e07036277c7ed530d8478ac3ced74 [0,1,0,0,0,1|1,0,0]=3 202 B11R1.86 CC(=O)Nc1nccnc1O fd538b7c2f434a2f6f99824cfe0a9b4c [0,1,0,0,0,1|1,0,0]=3 203 B11R1.86 CC(=O)Nc1nnccc1C 24befafdb5d28545a7ca1f97bb43d82e [0,1,0,0,0,1|1,0,0]=3 204 B11R1.86 CC(=O)Nc1nnccc1O 7d15230e02c4f4b765ccddf4779cb8c0 [0,1,0,0,0,1|1,0,0]=3 205 B11R1.86 CC(C)Nc1cccnc1Br a687380e5aa8756bf4d5d1c2e5895a79 [0,1,0,0,0,1|1,0,1]=4 206 B11R1.86 CC(C)Nc1cccnc1Cl 69ea8d619084b1b2778d6c21db2c80fb [0,1,0,0,0,1|1,0,1]=4 207 B11R1.86 CC(C)Nc1cccnc1F 893908ba00122d7cec7a3e9e3be67dd0 [0,1,0,0,0,1|1,0,1]=4 208 B11R1.86 CC(C)Nc1cccnc1I 51a846c9c1560b89c89fa64730a3deb3 [0,1,0,0,0,1|1,0,1]=4 209 B11R1.86 CC(C)Nc1cnccc1Cl 9286675edb1a06121c1b48201bbd38ab [0,1,0,0,0,1|1,0,1]=4 210 B11R1.86 CC(C)Nc1cnccc1F d36a1ce63436ee8a7fe7bd2f44ea5dbd [0,1,0,0,0,1|1,0,1]=4 211 B11R1.86 CC(C)Nc1cnccc1I ef08c6d9916171418c74e22e8ea78aab [0,1,0,0,0,1|1,0,1]=4 212 B11R1.86 CC(C)Oc1cccnc1Br 41da9105aa46a4cc5b28d1151f766f7c [0,1,0,0,0,1|1,0,1]=4 213 B11R1.86 CC(C)Oc1cccnc1Cl 5f47c201110ae76c3f20771d30f413ac [0,1,0,0,0,1|1,0,1]=4 214 B11R1.86 CC(C)Oc1cccnc1F 5024034c0e002e24ad11e1d6328a6435 [0,1,0,0,0,1|1,0,1]=4 215 B11R1.86 CC(C)Oc1cccnc1I 452ebdc4006c876f552145b479069297 [0,1,0,0,0,1|1,0,1]=4 216 B11R1.86 CC(C)Oc1cnccc1Br d266279798ad748ca463f4d7f3f9adac [0,1,0,0,0,1|1,0,1]=4 217 B11R1.86 CC(C)Oc1cnccc1Cl 8d0804b21d39d2da2453c643a62be877 [0,1,0,0,0,1|1,0,1]=4 218 B11R1.86 CC(C)Oc1cnccc1F 2f3c830875644371b715186f6a3a53d7 [0,1,0,0,0,1|1,0,1]=4 219 B11R1.86 CC(C)Oc1cnccc1I 0e40e93e631b7a656560ba0272883482 [0,1,0,0,0,1|1,0,1]=4 220 B11R1.86 Cc1ccncc1OC(C)C 6e2f25c7be333db7d06187bc11a46726 [0,1,0,0,0,1|1,0,1]=4 221 B11R1.86 Cc1ncccc1NC(C)C ab0ea95484d50f8fd20357062d11cc88 [0,1,0,0,0,1|1,0,1]=4 222 B11R1.86 Cc1ncccc1OC(C)C 3bc8395d80b6d7a4cbb4afe4d1590f68 [0,1,0,0,0,1|1,0,1]=4 223 B11R1.157 CC(=O)Nc1cc(ccn1)C 11bb75cefcc8e0053d4aa87066be916d [0,1,0,0,0,1|2,0,0]=4 224 B11R1.157 CC(=O)Nc1cc(ccn1)F 8e862ac7c7b42cf4a874c98f7685acd6 [0,1,0,0,0,1|2,0,0]=4 225 B11R1.157 CC(=O)Nc1cc(ccn1)O a3610b7684ca29dc38fcb0bb43d220bb [0,1,0,0,0,1|2,0,0]=4 226 B11R1.157 CC(=O)Nc1cccc(c1)C 9a7c9b465401dd095659742e6c3e194a [0,1,0,0,0,1|1,0,0]=3 227 B11R1.157 CC(=O)Nc1cccc(c1)Cl a4a6d31d02767cbd28a554abdc9d7f9c [0,1,0,0,0,1|1,0,0]=3 228 B11R1.157 CC(=O)Nc1cccc(c1)F c6f0d045fd7da349c2147d19a6b5c925 [0,1,0,0,0,1|1,0,0]=3 229 B11R1.157 CC(=O)Nc1cccc(c1)I 6985e662c065e5f04703904aecec87c5 [0,1,0,0,0,1|1,0,0]=3 230 B11R1.157 CC(=O)Nc1cccc(c1)O 83fd7000bcb1a1edfb73e9c940896bf1 [0,1,0,0,0,1|1,0,0]=3 231 B11R1.157 CC(=O)Nc1cccc(c1)S c491dfa7e666418d0885014c41e759e8 [0,1,0,0,0,1|1,0,0]=3 232 B11R1.157 CC(=O)Nc1cccc(n1)C 01436216495e07ab1a016d090bd0354d [0,1,0,0,0,1|2,0,0]=4 233 B11R1.157 CC(=O)Nc1cccc(n1)F 5c90ea818058cfdc7008511466203d36 [0,1,0,0,0,1|2,0,0]=4 234 B11R1.157 CC(=O)Nc1cccc(n1)I 5d4e8b430df68bb8d5b9e79c705284bb [0,1,0,0,0,1|2,0,0]=4 235 B11R1.157 CC(=O)Nc1cccc(n1)O 5ecee8ed76a0d083278d7db13fb46dc5 [0,1,0,0,0,1|2,0,0]=4 236 B11R1.157 CC(=O)Nc1ccnc(c1)C 1f0a21b873e7ca6abbe56d850131c0d5 [0,1,0,0,0,1|2,0,0]=4 237 B11R1.157 CC(=O)Nc1ccnc(c1)Cl 60dd71dfffbd4e7a86b9c1318a508470 [0,1,0,0,0,1|2,0,0]=4 238 B11R1.157 CC(=O)Nc1ccnc(c1)F c112cdf062cc40dd6e09308e4863a8bf [0,1,0,0,0,1|2,0,0]=4 239 B11R1.157 CC(=O)Nc1ccnc(c1)O adfd8450de9344956743fa1a05f9a0cc [0,1,0,0,0,1|2,0,0]=4 240 B11R1.157 CC(=O)Nc1cncc(c1)C 4291afcbdd0cbcaf1adc4172123ca697 [0,1,0,0,0,1|0,0,0]=2 241 B11R1.157 CC(=O)Nc1cncc(c1)F 9860c048d1d1e6420ea4a0a66f480b3c [0,1,0,0,0,1|0,0,0]=2 242 B11R1.157 CC(=O)Nc1cncc(c1)I 1accd6dc622c13ee068932fae9e60766 [0,1,0,0,0,1|0,0,0]=2 243 B11R1.157 CC(=O)Nc1cncc(c1)O df72e33984e978f8a94153b22b3fc5c6 [0,1,0,0,0,1|0,0,0]=2 244 B11R1.157 CC(=O)Nc1cncc(n1)C 814c6641018618ae240ef1a1633a60e7 [0,1,0,0,0,1|1,0,0]=3 245 B11R1.157 CC(=O)Nc1cncc(n1)F ef72f805b1e497b0355d489c7333b0d9 [0,1,0,0,0,1|1,0,0]=3 246 B11R1.157 CC(=O)Nc1cnnc(c1)F f1bbad3625f9dafe11622658ea27357d [0,1,0,0,0,1|1,0,0]=3 247 B11R1.157 CC(C)Nc1cncc(c1)Cl c26350b11d8c01ec2f1f210f522bf42f [0,1,0,0,0,1|1,0,1]=4 248 B11R1.157 CC(C)Nc1cncc(c1)F c0d792196e8876c1a0df52cc6f431e54 [0,1,0,0,0,1|1,0,1]=4 249 B11R1.157 CC(C)Nc1cncc(c1)I 5165104992f08facddd648b36b59a9a8 [0,1,0,0,0,1|1,0,1]=4 250 B11R1.157 CC(C)Oc1cncc(c1)Cl 388d88d9e0df30a2ba0e40f8f1524c25 [0,1,0,0,0,1|1,0,1]=4 251 B11R1.157 CC(C)Oc1cncc(c1)F a1defac1377360a458739a468937d592 [0,1,0,0,0,1|1,0,1]=4 252 B11R1.157 CC(C)Oc1cncc(c1)I 277b82df97e12d2b7f27e78d9949ff74 [0,1,0,0,0,1|1,0,1]=4 253 B11R1.157 Cc1cncc(c1)NC(C)C 16b6df361413b730dd0edaa3dd52fb68 [0,1,0,0,0,1|1,0,1]=4 254 B11R1.509 CC(C)(C)Nc1cccnc1 22afe0912ef2c695ba26155c9d7e4850 [0,1,0,0,0,1|1,0,1]=4 255 B11R1.22 CCN(C)c1ccc(nc1)Br b6445fecc0c7fd88b71c31623fcd006b [0,2,0,0,0,0|2,0,0]=4 256 B11R1.22 CCN(C)c1ccc(nc1)Cl 98116e0be953dec717bcac000adb9db0 [0,2,0,0,0,0|2,0,0]=4 257 B11R1.22 CCN(C)c1ccc(nc1)F 5c2f83595d7ddc2f36ec5baf4ef48449 [0,2,0,0,0,0|2,0,0]=4 258 B11R1.22 CN(C=O)c1ccc(cc1)Br 9862ed13c945c79fb65fa51787bd2093 [0,2,0,0,0,0|2,0,0]=4 259 B11R1.22 CN(C=O)c1ccc(cc1)Cl d432c23837319192897a660c45f339ba [0,2,0,0,0,0|2,0,0]=4 260 B11R1.22 CN(C=O)c1ccc(cc1)F f939c668a8e6f39bb7cc93a9ebd979dd [0,2,0,0,0,0|2,0,0]=4 261 B11R1.22 CN(C=O)c1ccc(cc1)I 86b31576c767147a57657625de6a4cf6 [0,2,0,0,0,0|2,0,0]=4 262 B11R1.22 CN(C=O)c1ccc(cc1)O 71050cca6cc6c2a34d54c8525596398a [0,2,0,0,0,0|2,0,0]=4 263 B11R1.22 CN(C=O)c1ccc(cc1)S f07b31b3eaa976c4ece94ae29131a1b8 [0,2,0,0,0,0|2,0,0]=4 264 B11R1.22 CN(C=O)c1ccc(nc1)Br 02e6c8c88fc8f9a945078432f838505c [0,2,0,0,0,0|1,0,0]=3 265 B11R1.22 CN(C=O)c1ccc(nc1)Cl bd70684891af49b44bb911ed20ab21a5 [0,2,0,0,0,0|1,0,0]=3 266 B11R1.22 CN(C=O)c1ccc(nc1)F 6e5f29d7bc3545ed6e42f58e9071f45e [0,2,0,0,0,0|1,0,0]=3 267 B11R1.22 CN(C=O)c1ccc(nn1)Br 46696d371ce562702fbcd33902ae74dd [0,2,0,0,0,0|2,0,0]=4 268 B11R1.22 CN(C=O)c1ccc(nn1)Cl 662c70344d9036c6fa19f5da564feae3 [0,2,0,0,0,0|2,0,0]=4 269 B11R1.22 CN(C=O)c1cnc(cn1)Br be4c0e691ae29eb651e2f8d3dae585ca [0,2,0,0,0,0|2,0,0]=4 270 B11R1.22 CN(C=O)c1cnc(cn1)Cl 31d08618a518bfd9ef3bde3a5dbab4fc [0,2,0,0,0,0|2,0,0]=4 271 B11R1.22 CN(CF)c1ccc(nc1)Br 4bb225af42653459b0654367fa893ce4 [0,2,0,0,0,0|2,0,0]=4 272 B11R1.22 CN(CF)c1ccc(nc1)Cl 8246b6410577b0c0799a8aff1ab8065d [0,2,0,0,0,0|2,0,0]=4 273 B11R1.22 CN(CF)c1ccc(nc1)F a0cadd87a21dc88c3f98977df6903909 [0,2,0,0,0,0|2,0,0]=4 274 B11R1.22 CN(CO)c1ccc(nc1)Br 5c0340a31595aefc3641bad2ceba5b5e [0,2,0,0,0,0|1,0,1]=4 275 B11R1.22 CN(CO)c1ccc(nc1)Cl 3f68dd1ab859b8583535f7e17ec0b0b9 [0,2,0,0,0,0|1,0,1]=4 276 B11R1.22 CN(CO)c1ccc(nc1)F 251eb8b660b995afa2064258cc123443 [0,2,0,0,0,0|1,0,1]=4 277 B11R1.22 Cc1ccc(cc1)N(C)C=O c253ca59971334503e7e1b5bdad7856f [0,2,0,0,0,0|2,0,0]=4 278 B11R1.22 Cc1ccc(cn1)N(C)C=O 17ad1ce648b4690112700dad4971e9cf [0,2,0,0,0,0|1,0,0]=3 279 B11R1.22 Cc1ccc(cn1)N(C)CF 2546e77743898b53bffb42ed8663c755 [0,2,0,0,0,0|2,0,0]=4 280 B11R1.22 Cc1cnc(cn1)N(C)C=O 629909b64e721791a7f7f5c721219694 [0,2,0,0,0,0|2,0,0]=4 281 B11R1.12 CCN(C=O)c1ccccc1 da6bb0dc53f1d66135131d66e3bbe341 [0,2,0,0,0,0|2,0,0]=4 282 B11R1.12 CCN(C=O)c1cccnc1 480f2644a238345f8cb34be867d4aca8 [0,2,0,0,0,0|1,0,0]=3 283 B11R1.12 CCN(C=O)c1cccnn1 bc5719b16cc7ecd03429b0711c320eb4 [0,2,0,0,0,0|2,0,0]=4 284 B11R1.12 CCN(C=O)c1ccnnc1 fe3d76655349ae24f92703f860ee65b0 [0,2,0,0,0,0|2,0,0]=4 285 B11R1.12 CCN(C=O)c1cnccn1 2106275e2d269f3c272150672947c57e [0,2,0,0,0,0|2,0,0]=4 286 B11R1.12 CCN(C=O)c1cncnc1 cd46d9bff73ae0e41def8003b3301e1e [0,2,0,0,0,0|2,0,0]=4 287 B11R1.12 CCN(CC)c1cccnc1 52601769ca231e644678fff005cbe4b5 [0,2,0,0,0,0|2,0,0]=4 288 B11R1.12 CCN(CF)c1cccnc1 0312fe3f0e237cbe2838982475b5dabc [0,2,0,0,0,0|2,0,0]=4 289 B11R1.12 CCN(CO)c1cccnc1 f2903e21d817aefbbc8f3b43452e9503 [0,2,0,0,0,0|1,0,1]=4 290 B11R1.16 C#CCN(C)c1cccnc1 677bb9d321a9264925fa484ec0ca7af7 [0,2,0,0,0,0|2,0,0]=4 291 B11R1.16 C=CCN(C)c1cccnc1 4d9cbfab931614ef9e9cc7b0df80f0bd [0,2,0,0,0,0|2,0,0]=4 292 B11R1.16 CC(NC=O)c1ccccc1 912f825ae8ec09ad8cb929f90e443d73 [0,2,0,0,0,0|1,0,1]=4 293 B11R1.16 CC(NC=O)c1cccnc1 8993d9f42ad801a00b7dbd874864f118 [0,2,0,0,0,0|0,0,1]=3 294 B11R1.16 CC(NC=O)c1cccnn1 e98c02505f9913fe12149ffc125dfe0e [0,2,0,0,0,0|1,0,1]=4 295 B11R1.16 CC(NC=O)c1ccnnc1 5e6a6ac74d328923dba5ffb40b405cd9 [0,2,0,0,0,0|1,0,1]=4 296 B11R1.16 CC(NC=O)c1cnccn1 b12aa70178da0d6f388963a11219364c [0,2,0,0,0,0|1,0,1]=4 297 B11R1.16 CC(NCF)c1cccnc1 06f634f0617dadb8cf037734a8a97de2 [0,2,0,0,0,0|1,0,1]=4 298 B11R1.16 CC(NCO)c1cccnc1 862c30acc11398ef9d9eed839c208db8 [0,2,0,0,0,0|0,0,2]=4 299 B11R1.16 CC(OCF)c1cccnc1 38385d8a804ea3beb03ef81ac1897631 [0,2,0,0,0,0|0,0,2]=4 300 B11R1.16 CCCN(C)c1cccnc1 28cb54c9c808eaf7ba52852976110e8a [0,2,0,0,0,0|2,0,0]=4 301 B11R1.16 CCNC(C)c1cccnc1 c47433cc5cae1ddbdb53f6ca3e6bfaaf [0,2,0,0,0,0|1,0,1]=4 302 B11R1.16 CCN[C@@H](C)c1cccnc1 330151f91eef2953e097f24cd8fe5255 [0,2,0,0,0,0|1,0,1]=4 303 B11R1.16 CCN[C@H](C)c1cccnc1 7cb1b35ff9549b4a705f07ae86659632 [0,2,0,0,0,0|1,0,1]=4 304 B11R1.16 CCOC(C)c1cccnc1 9c9e8ee26a948f6734fe8bca4ac259d1 [0,2,0,0,0,0|0,0,2]=4 305 B11R1.16 CCO[C@@H](C)c1cccnc1 4f79e80bc80f924c1d9263e4c7a80e48 [0,2,0,0,0,0|0,0,2]=4 306 B11R1.16 CCO[C@H](C)c1cccnc1 cd637b20fb4bf525c6de41c7953f4069 [0,2,0,0,0,0|0,0,2]=4 307 B11R1.16 CN(CC#N)c1cccnc1 e1d558f0b036ef6c10e97a630c12b31f [0,2,0,0,0,0|2,0,0]=4 308 B11R1.16 CN(CC=O)c1ccccc1 669b7315010cb1229c9893a5bac75e38 [0,2,0,0,0,0|2,0,0]=4 309 B11R1.16 CN(CC=O)c1cccnc1 4e735c7da6851d8cd391939506ab7153 [0,2,0,0,0,0|1,0,0]=3 310 B11R1.16 CN(CC=O)c1cccnn1 3c8cc1b68f26a884556a8b4ab20cf968 [0,2,0,0,0,0|2,0,0]=4 311 B11R1.16 CN(CC=O)c1ccnnc1 7caca89c4f71fe4d7b9058791f4bd9df [0,2,0,0,0,0|2,0,0]=4 312 B11R1.16 CN(CC=O)c1cnccn1 7c6a09d326b306da2afe6afe92255679 [0,2,0,0,0,0|2,0,0]=4 313 B11R1.16 CN(CC=O)c1cncnc1 28dd26ed9867f825aafe99de39a08eb5 [0,2,0,0,0,0|2,0,0]=4 314 B11R1.16 CN(CCF)c1cccnc1 0c417327f73403e17ed488303ca6b0c4 [0,2,0,0,0,0|2,0,0]=4 315 B11R1.16 CN(CCO)c1cccnc1 47cb1f96fe61f8c7bd838cc6c9d317ed [0,2,0,0,0,0|1,0,1]=4 316 B11R1.16 CN(CCS)c1cccnc1 5bb9078bc645c6a66ca8b72acfaf15de [0,2,0,0,0,0|1,1,0]=4 317 B11R1.16 COCN(C)c1cccnc1 eee1a900430cbd2ead764847823e4249 [0,2,0,0,0,0|1,0,1]=4 318 B11R1.16 CSCN(C)c1cccnc1 85210a97edc62a2031929b5c7394c57b [0,2,0,0,0,0|1,1,0]=4 319 B11R1.16 C[C@@H](NC=O)c1ccccc1 ed3cbc790dab943801487e30e3a37c11 [0,2,0,0,0,0|1,0,1]=4 320 B11R1.16 C[C@@H](NC=O)c1cccnc1 ac95236c8efa48d11de85080c1ed1da7 [0,2,0,0,0,0|0,0,1]=3 321 B11R1.16 C[C@@H](NCF)c1cccnc1 661209de32fd81ce54914e1bd942009a [0,2,0,0,0,0|1,0,1]=4 322 B11R1.16 C[C@@H](NCO)c1cccnc1 cf5dbaaa37b8cb4e2f16350a55683027 [0,2,0,0,0,0|0,0,2]=4 323 B11R1.16 C[C@@H](OCF)c1cccnc1 700f73ac95c9eff915753055610d6829 [0,2,0,0,0,0|0,0,2]=4 324 B11R1.16 C[C@H](NC=O)c1ccccc1 0ca5dec48ba28ecff3cefea41bc874f0 [0,2,0,0,0,0|1,0,1]=4 325 B11R1.16 C[C@H](NC=O)c1cccnc1 03b40f19b3a9bf3d85026c98e0fcf432 [0,2,0,0,0,0|0,0,1]=3 326 B11R1.16 C[C@H](NCF)c1cccnc1 66a2dcad38cbf0d519df63526d229e46 [0,2,0,0,0,0|1,0,1]=4 327 B11R1.16 C[C@H](NCO)c1cccnc1 476af247167559627f6aa699dfa54495 [0,2,0,0,0,0|0,0,2]=4 328 B11R1.16 C[C@H](OCF)c1cccnc1 1642ade6f48ada445386d02dbd40b795 [0,2,0,0,0,0|0,0,2]=4 329 B11R1.16 N#CNC(=O)c1ccccc1 f968919af35f591f70d462dc16d787fc [0,2,0,0,0,0|1,0,1]=4 330 B11R1.16 N#CNC(=O)c1cccnc1 c2b82d345410e46672bb9c640f03af28 [0,2,0,0,0,0|0,0,1]=3 331 B11R1.16 N#CNC(=O)c1cccnn1 c680851cc264c92361c2612036d90a3a [0,2,0,0,0,0|1,0,1]=4 332 B11R1.16 N#CNC(=O)c1cnccn1 e7129f0275cee37c93e095f79c6d2157 [0,2,0,0,0,0|1,0,1]=4 333 B11R1.16 N#CNC(=O)c1cncnc1 7ecb82dc72b7d4d73c96f376bab2cd4c [0,2,0,0,0,0|1,0,1]=4 334 B11R1.23 CCN(C)c1cncc(c1)Br 4e8a54f314758cec6db1d44208066fb3 [0,2,0,0,0,0|2,0,0]=4 335 B11R1.23 CCN(C)c1cncc(c1)C c586f1c7bab338ac78be772791134673 [0,2,0,0,0,0|2,0,0]=4 336 B11R1.23 CCN(C)c1cncc(c1)F 9ab7e09f4c927efd8d017c75c729608f [0,2,0,0,0,0|2,0,0]=4 337 B11R1.23 CN(C=O)c1cccc(c1)Br 04e2b42b796ef8d05d5e843c6bfac7b3 [0,2,0,0,0,0|2,0,0]=4 338 B11R1.23 CN(C=O)c1cccc(c1)Cl 6a133c007011cf0443d8614b42cd9db1 [0,2,0,0,0,0|2,0,0]=4 339 B11R1.23 CN(C=O)c1cccc(c1)F d6a1f4912d17ef5b2ef6dd6e9a7cc16c [0,2,0,0,0,0|2,0,0]=4 340 B11R1.23 CN(C=O)c1cccc(c1)I 0412fe6299fa843b927c099de9b2eca3 [0,2,0,0,0,0|2,0,0]=4 341 B11R1.23 CN(C=O)c1cccc(c1)O 61c55a3ac80552d55fb98f08b327401d [0,2,0,0,0,0|2,0,0]=4 342 B11R1.23 CN(CF)c1cncc(c1)Br 9ef50a3a3c8848435ec59e9659ee2da0 [0,2,0,0,0,0|2,0,0]=4 343 B11R1.23 CN(CO)c1cncc(c1)Br db23f607a81ba65a023618f3fa5645fb [0,2,0,0,0,0|1,0,1]=4 344 B11R1.23 Cc1cccc(c1)N(C)C=O 8d3d604d6ddb9f04039aac9ce5e10e5e [0,2,0,0,0,0|2,0,0]=4 345 B11R1.23 Cc1cncc(c1)N(C)C=O 7fd556f41e83e9cebad64414d3df3e54 [0,2,0,0,0,0|1,0,0]=3 346 B11R1.23 Cc1cncc(c1)N(C)CF e39e3154ae7dd424a122334133e1845b [0,2,0,0,0,0|2,0,0]=4 347 B11R1.23 Cc1cncc(c1)N(C)CO a9dc5d3a4f411de95b028d7301a04961 [0,2,0,0,0,0|1,0,1]=4 348 B11R1.222 CCN(C)c1cccnc1Br 2a9bac7653109ad7cb22a369e9423ffb [0,2,0,0,0,0|2,0,0]=4 349 B11R1.222 CCN(C)c1cccnc1C 0ddb97fac4b005bf5151e63b04814336 [0,2,0,0,0,0|2,0,0]=4 350 B11R1.222 CCN(C)c1cccnc1Cl 583cec184083a5a308a72f647a6e90c8 [0,2,0,0,0,0|2,0,0]=4 351 B11R1.222 CCN(C)c1cccnc1F 60886e25b7b16c0395a71018cc5328fb [0,2,0,0,0,0|2,0,0]=4 352 B11R1.222 CCN(C)c1cnccc1C 15650ab426688eaaa83948de77c329f3 [0,2,0,0,0,0|2,0,0]=4 353 B11R1.222 CCN(C)c1cnccc1Cl 7d79648c65c6505b388546f3ddc49f07 [0,2,0,0,0,0|2,0,0]=4 354 B11R1.222 CCN(C)c1cnccc1F fe6028fb3ed3222dd3d425a51ab84bcb [0,2,0,0,0,0|2,0,0]=4 355 B11R1.222 CN(C=O)c1ccccc1Br 3426899914cb277130ea1a231941052f [0,2,0,0,0,0|2,0,0]=4 356 B11R1.222 CN(C=O)c1ccccc1Cl 135f44500c6825a6172cd53bd209f325 [0,2,0,0,0,0|2,0,0]=4 357 B11R1.222 CN(C=O)c1ccccc1F b02bb0760d6e84d207ae27e31e461504 [0,2,0,0,0,0|2,0,0]=4 358 B11R1.222 CN(C=O)c1ccccc1O 4c3e44ceba918ddfd6ff42ad51415b5c [0,2,0,0,0,0|2,0,0]=4 359 B11R1.222 CN(C=O)c1cccnc1Cl b027a9b01c7da1291b970a20c75c2e99 [0,2,0,0,0,0|1,0,0]=3 360 B11R1.222 CN(C=O)c1cccnc1F 8e9cfc1b0e6a6be08d31776d822be16f [0,2,0,0,0,0|1,0,0]=3 361 B11R1.222 CN(C=O)c1cnccc1F 9a049333e1849191907641c6cea15d3a [0,2,0,0,0,0|1,0,0]=3 362 B11R1.222 CN(C=O)c1nccnc1Cl 0d08066d4784478757ba6db0d16a0737 [0,2,0,0,0,0|2,0,0]=4 363 B11R1.222 CN(CF)c1cccnc1Br f1141014772045993efee3a74cc600d3 [0,2,0,0,0,0|2,0,0]=4 364 B11R1.222 CN(CF)c1cccnc1Cl 14c2cd2b2e079fa656bf72819f7359ce [0,2,0,0,0,0|2,0,0]=4 365 B11R1.222 CN(CF)c1cccnc1F 2c8f4b66361503e7617d74f0b827167b [0,2,0,0,0,0|2,0,0]=4 366 B11R1.222 CN(CF)c1cnccc1Cl 1ba2f6465a062a2c0a0d3243ed979595 [0,2,0,0,0,0|2,0,0]=4 367 B11R1.222 CN(CF)c1cnccc1F 00a509980801e2dca241301de10e1ea7 [0,2,0,0,0,0|2,0,0]=4 368 B11R1.222 CN(CO)c1cccnc1Br 340c9897d8b3c2114eef4e935f3c39fe [0,2,0,0,0,0|1,0,1]=4 369 B11R1.222 CN(CO)c1cccnc1Cl 947e3bedd93c807491120bbaac9423f9 [0,2,0,0,0,0|1,0,1]=4 370 B11R1.222 CN(CO)c1cccnc1F cb868a01723c893ad09ec57cd87427ee [0,2,0,0,0,0|1,0,1]=4 371 B11R1.222 CN(CO)c1cnccc1Cl 118f63190fa72552acbe59f19dcea564 [0,2,0,0,0,0|1,0,1]=4 372 B11R1.222 CN(CO)c1cnccc1F f3601bf39d16035d778442bb8335e2f0 [0,2,0,0,0,0|1,0,1]=4 373 B11R1.222 Cc1ccccc1N(C)C=O 0cbd91f766c6614fd036ecf6c5c52ea2 [0,2,0,0,0,0|2,0,0]=4 374 B11R1.222 Cc1ccncc1N(C)C=O 5e2154d6d670430a5469b9d55e39c87e [0,2,0,0,0,0|1,0,0]=3 375 B11R1.222 Cc1ccncc1N(C)CF 5328569ab3c4550dc482307693b6ed12 [0,2,0,0,0,0|2,0,0]=4 376 B11R1.222 Cc1ccncc1N(C)CO 3a13fb7fbb6b652e271886038778c016 [0,2,0,0,0,0|1,0,1]=4 377 B11R1.222 Cc1ncccc1N(C)C=O dc35c78fbaab6693ce2763b76bacc250 [0,2,0,0,0,0|1,0,0]=3 378 B11R1.222 Cc1ncccc1N(C)CF 454196da5ac185c13a6fe51bdca0ce20 [0,2,0,0,0,0|2,0,0]=4 379 B11R1.222 Cc1ncccc1N(C)CO a6cff45c2e0229235d921297d1fe2795 [0,2,0,0,0,0|1,0,1]=4 380 B11R1.222 Cc1nccnc1N(C)C=O 03976daf01a3a8e9ef35e3b8de40aebc [0,2,0,0,0,0|2,0,0]=4 381 B9R1.13 CC(=O)Nc1cccs1 f70dc40a2b7a68d7210198fbab697918 [0,0,1,1,0,0|2,0,0]=4 382 B9R1.13 CC(=O)Nc1ccno1 9ee4360e11764428c81b3574e3a5fbc0 [0,0,1,1,0,0|2,0,0]=4 383 B9R1.13 CC(=O)Nc1ccns1 bf48f8f0459ec9fa0c60411c28a05fbc [0,0,1,1,0,0|2,0,0]=4 384 B9R1.13 CC(=O)Nc1ccsc1 b43c291cb5d72b5ddddbae12e8c0d0d9 [0,0,1,1,0,0|2,0,0]=4 385 B9R1.13 CC(=O)Nc1cncs1 8e4d874841813b151af824130870907f [0,0,1,1,0,0|2,0,0]=4 386 B9R1.13 CC(=O)Nc1cnoc1 008c183b50301901a34e69389b8eb7ef [0,0,1,1,0,0|2,0,0]=4 387 B9R1.13 CC(=O)Nc1cnsc1 8b2781f9f5cf5ee989ebb6568d34bd93 [0,0,1,1,0,0|2,0,0]=4 388 B9R1.13 CC(=O)Nc1cocn1 4089e82890500e24c2afb0f19306f425 [0,0,1,1,0,0|2,0,0]=4 389 B9R1.13 CC(=O)Nc1cscn1 40e369b2af88cefbcc061c4b162a2ec0 [0,0,1,1,0,0|2,0,0]=4 390 B9R1.13 CC(=O)Nc1ncco1 b16f0a75e381dc1cebd6e7c0a9c2918e [0,0,1,1,0,0|2,0,0]=4 391 B9R1.13 CC(=O)Nc1nccs1 77a8d229d5e2ebce94e2316ec872dfb6 [0,0,1,1,0,0|2,0,0]=4 392 B11R2.238 c1cncc(c1)NC2CC2 faca6d2d50c0b4a3e50cda13d58850cf [0,0,0,1,0,1|1,0,1]=4 393 B11R2.238 c1cncc(c1)OC2CC2 e02f03b072be3d2fd90f9a4a8c487a8f [0,0,0,1,0,1|1,0,1]=4 394 B11R1.91 C=C(Br)CNc1cccnc1 a11cf5f6d9b1fac244d28cac011d2a32 [0,0,0,0,0,2|1,0,1]=4 395 B11R1.91 C=C(Br)COc1cccnc1 03ee6b86f68c4d9665848abdc6665e99 [0,0,0,0,0,2|1,0,1]=4 396 B11R1.91 C=C(C)CNc1ccccc1 9ff030153dc2dcaf07d1da3f9e6a073f [0,0,0,0,0,2|2,0,0]=4 397 B11R1.91 C=C(C)CNc1cccnc1 8810dec0d1b93ae6f2f50fc532118fa0 [0,0,0,0,0,2|1,0,0]=3 398 B11R1.91 C=C(C)CNc1cccnn1 cf29f02fc2b1b06fbdfb1d6447888724 [0,0,0,0,0,2|2,0,0]=4 399 B11R1.91 C=C(C)CNc1ccnnc1 8c1b00caa26bca7ad2a324ec396b7258 [0,0,0,0,0,2|2,0,0]=4 400 B11R1.91 C=C(C)CNc1cnccn1 d0a9ee6c6179d7f99dc86f8b5699859d [0,0,0,0,0,2|2,0,0]=4 401 B11R1.91 C=C(C)CNc1cncnc1 74ba569c19858fbe49a5ebea4677c124 [0,0,0,0,0,2|2,0,0]=4 402 B11R1.91 C=C(C)COc1cccnc1 3cac933caa917577843fc86e5c520fd6 [0,0,0,0,0,2|1,0,0]=3 403 B11R1.91 C=C(C)COc1ccnnc1 e2baf51b2cbaf9dd6ef0ec2b572f01ce [0,0,0,0,0,2|2,0,0]=4 404 B11R1.91 C=C(C)COc1cnccn1 75b8877c41b529e2d05c6c78734c83aa [0,0,0,0,0,2|2,0,0]=4 405 B11R1.91 C=C(C)COc1cncnc1 7dbc1811ffc7a3ce322aba6cb01c69eb [0,0,0,0,0,2|2,0,0]=4 406 B11R1.91 C=C(Cl)CNc1cccnc1 54e242eb426763e91578db67448c885f [0,0,0,0,0,2|1,0,1]=4 407 B11R1.91 C=C(Cl)COc1cccnc1 8b34485e013408a6d6c7e3498d13562e [0,0,0,0,0,2|1,0,1]=4 408 B11R1.91 C=C(F)CNc1cccnc1 ba2b2cb51023d183dfda83785e392235 [0,0,0,0,0,2|1,0,1]=4 409 B11R1.91 C=C(F)COc1cccnc1 4668ab24b3e1fd98adbd999ded211c59 [0,0,0,0,0,2|1,0,1]=4 410 B11R1.91 CC(=O)CNc1ccccc1 71a2fb3da6b0e889c13cfd81e73bd182 [0,0,0,0,0,2|1,0,0]=3 411 B11R1.91 CC(=O)CNc1ccccn1 9ef5867d6e28a360f3e560522ae4c545 [0,0,0,0,0,2|2,0,0]=4 412 B11R1.91 CC(=O)CNc1cccnc1 35a6037a85b015cc869f557087769b5d [0,0,0,0,0,2|0,0,0]=2 413 B11R1.91 CC(=O)CNc1cccnn1 bd224fe4d75fd6299636314b2659cf40 [0,0,0,0,0,2|1,0,0]=3 414 B11R1.91 CC(=O)CNc1ccncc1 e7e1df2bfec9194a79bb5918ba94764c [0,0,0,0,0,2|2,0,0]=4 415 B11R1.91 CC(=O)CNc1ccnnc1 988e3b33cea73d48c45816137b4a5d30 [0,0,0,0,0,2|1,0,0]=3 416 B11R1.91 CC(=O)CNc1cnccn1 f505fd1e568103e89908ef11d0b9c40c [0,0,0,0,0,2|1,0,0]=3 417 B11R1.91 CC(=O)NCc1ccccc1 29a87354e4243d3817f046f8152f971d [0,0,0,0,0,2|1,0,0]=3 418 B11R1.91 CC(=O)NCc1ccccn1 4a5e0ad0f6fb64ba7eb4726872bef1d0 [0,0,0,0,0,2|2,0,0]=4 419 B11R1.91 CC(=O)NCc1cccnc1 7b71a51c058bd0c2c3114d8b61c7e1f0 [0,0,0,0,0,2|0,0,0]=2 420 B11R1.91 CC(=O)NCc1cccnn1 8df4f95b0595f5061ab86d0c6899ec2c [0,0,0,0,0,2|1,0,0]=3 421 B11R1.91 CC(=O)NCc1ccncc1 9156811b92bf0707f7382e576ceea554 [0,0,0,0,0,2|2,0,0]=4 422 B11R1.91 CC(=O)NCc1ccnnc1 b7fb9ef1b30e19b3391ac6373f09e991 [0,0,0,0,0,2|1,0,0]=3 423 B11R1.91 CC(=O)NCc1cnccn1 3bc7c046654e0b52f0e8fd5e1c64219d [0,0,0,0,0,2|1,0,0]=3 424 B11R1.91 CC(=O)NCc1cncnc1 1788fa75b9a7d3ec40c95f826ad49ab5 [0,0,0,0,0,2|1,0,0]=3 425 B11R1.91 CC(C)CNc1cccnc1 872c17275baf8dfc3e3fcfc1c6e8b0aa [0,0,0,0,0,2|1,0,1]=4 426 B11R1.91 CC(C)COc1cccnc1 639764ab0bac28311f80a0c1092bb51e [0,0,0,0,0,2|1,0,1]=4 427 B11R1.91 CC(C)NCc1cccnc1 f83c1668bc1a0795e6062eecd9dab4fd [0,0,0,0,0,2|1,0,1]=4 428 B11R1.91 CC(C)OCc1cccnc1 15bee2bbdfea4851383d51503cc56958 [0,0,0,0,0,2|1,0,1]=4 429 B11R1.91 CC(O)CNc1cccnc1 be948b4ea22210c06fa11f5ff0c44d9b [0,0,0,0,0,2|0,0,2]=4 430 B11R1.91 CN(C)CNc1cccnc1 06dc729fa11ea9023ada541fc670b33d [0,0,0,0,0,2|2,0,0]=4 431 B11R1.91 CN(C)COc1cccnc1 ba3cfa03500b005052d6345515b92103 [0,0,0,0,0,2|2,0,0]=4 432 B11R1.91 C[C@@H](O)CNc1cccnc1 0269da8e8da5f2bc75323d1a7b31953c [0,0,0,0,0,2|0,0,2]=4 433 B11R1.91 C[C@H](O)CNc1cccnc1 13f963f21a32ff7cb405ad7d76f40567 [0,0,0,0,0,2|0,0,2]=4 434 B11R1.91 NC(=O)CNc1ccccc1 cb8f4e233e85228cf5430aee72130ae8 [0,0,0,0,0,2|2,0,0]=4 435 B11R1.91 NC(=O)CNc1cccnc1 dbb72e205ac173bc25639603ebb9275b [0,0,0,0,0,2|1,0,0]=3 436 B11R1.91 NC(=O)CNc1cccnn1 60d31b38949fd2adfd2e2512960c8165 [0,0,0,0,0,2|2,0,0]=4 437 B11R1.91 NC(=O)CNc1ccnnc1 fd3142ea857a4229c35d861a620f383c [0,0,0,0,0,2|2,0,0]=4 438 B11R1.91 NC(=O)CNc1cnccn1 0a7c4e6a481fd88afb187a9fef9aa25c [0,0,0,0,0,2|2,0,0]=4 439 B11R1.91 NC(=O)CNc1cncnc1 2027aa04b899d228b30b6b8f4597eebe [0,0,0,0,0,2|2,0,0]=4 440 B11R1.91 NC(=O)COc1cccnc1 561263082ed3dec2740bd877b6a3be01 [0,0,0,0,0,2|1,0,0]=3 441 B11R1.91 NC(=O)COc1ccnnc1 41f10587e32d620af6aead81edac5ccf [0,0,0,0,0,2|2,0,0]=4 442 B11R1.91 NC(=O)COc1cnccn1 ede1bfb44e6df9244688248d128ef720 [0,0,0,0,0,2|2,0,0]=4 443 B11R1.91 NC(=O)COc1cncnc1 ffe0016a63c39558be0c122ef0eaecca [0,0,0,0,0,2|2,0,0]=4 444 B11R1.91 O=C(O)CNc1ccccc1 aa02152e084051d6acb84b2b7ca3be40 [0,0,0,0,0,2|2,0,0]=4 445 B11R1.91 O=C(O)CNc1cccnc1 4378235c0fca8603764c85f64c571ed0 [0,0,0,0,0,2|1,0,0]=3 446 B11R1.91 O=C(O)CNc1cccnn1 cf291fb62c38c15687fe08b6cd38c97a [0,0,0,0,0,2|2,0,0]=4 447 B11R1.91 O=C(O)CNc1ccnnc1 c99b746e992a4e9e6f7e039e52c1a5ec [0,0,0,0,0,2|2,0,0]=4 448 B11R1.91 O=C(O)CNc1cnccn1 b1cc8e172b98147bd688e0d825eaa75e [0,0,0,0,0,2|2,0,0]=4 449 B11R1.91 O=C(O)CNc1cncnc1 c77aa544ab79efbf2bcf36fb4eef07df [0,0,0,0,0,2|2,0,0]=4 450 B11R1.91 O=C(O)COc1cccnc1 109e5f2cec28855b082ac5e8dd76ca14 [0,0,0,0,0,2|1,0,0]=3 451 B11R1.91 O=C(O)COc1ccnnc1 1b95f97209e3f2855770ca42cf783b1d [0,0,0,0,0,2|2,0,0]=4 452 B11R1.91 O=C(O)COc1cnccn1 e0294dfac2c18ae32226261f2b002098 [0,0,0,0,0,2|2,0,0]=4 453 B11R1.91 O=C(O)COc1cncnc1 be0d64e31690cc63b2fb9036513a8b31 [0,0,0,0,0,2|2,0,0]=4 454 B11R1.91 O=[N+]([O-])CNc1cccnc1 22f8aed454b7c282f646cfba0598b7ad [0,0,0,0,0,2|2,0,0]=4 455 B11R1.91 O=[N+]([O-])COc1cccnc1 57806cc501e01a10b949bb71b7b553b9 [0,0,0,0,0,2|2,0,0]=4