0 B9R1.11 CC(CO)N1CC=CC1 0f2bc7c4e3a767963a152985864a9282 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.11 CCC(C)N1CC=CC1 6bf95b09666f462a89008e1a6d0c2f05 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.11 CCN(C)C1CC=CC1 81efd4c876692366ae64558f5cc1089f [0,0,0,0,0,0|3,0,1]=4 3 B9R1.11 CCN(C)c1cc[nH]n1 749ccf1c4175e9714bd2edef8b8b302c [0,0,0,0,0,0|3,0,0]=3 4 B9R1.11 CCN(C)c1ccns1 a19f7fc213bd5bd88b24d5f68e4afa8f [0,0,0,0,0,0|3,0,0]=3 5 B9R1.11 CCN(C)c1ccon1 2ce8321b2704db34980c07b5e78f5b31 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.11 CCN(C)c1ccsc1 9d7f231018bb5b4ffa353066f71ec39b [0,0,0,0,0,0|4,0,0]=4 7 B9R1.11 CCN(C)c1cnsn1 3a87d241c8e885db48e5196d80e6e20f [0,0,0,0,0,0|4,0,0]=4 8 B9R1.11 CCN(C)c1ncc[nH]1 6558320edd02b7a06d6c6cd1d7a09bd3 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.11 CCN(C)c1ncco1 e68e12067f5d470a1f9ce47452eec061 [0,0,0,0,0,0|1,1,0]=2 10 B9R1.11 CCN(C)c1nccs1 f916cd2d893b9e379f0396f320d15301 [0,0,0,0,0,0|1,0,0]=1 11 B9R1.11 CCN(C)c1nnc[nH]1 6beaa6f3a63506e1304bf85a0a674d84 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.11 CN(C=O)c1ncco1 df93436003864182c95235dcf760a9ee [0,0,0,0,0,0|2,1,1]=4 13 B9R1.11 CN(C=O)c1nccs1 c41a5a41dc66ecd9157809060ed84b66 [0,0,0,0,0,0|2,0,1]=3 14 B9R1.11 CN(C=O)c1nncs1 97e8fa2b1cafe21b749ded08da44d235 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.11 CN(CF)c1cc[nH]n1 4128beab4b6e102b23c8407182d6faae [0,0,0,0,0,0|4,0,0]=4 16 B9R1.11 CN(CF)c1ccon1 41a9095ba09512dbb6abf197139e0a2c [0,0,0,0,0,0|4,0,0]=4 17 B9R1.11 CN(CF)c1ncc[nH]1 406e43255e3e684ca4ca47551698d6f6 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.11 CN(CF)c1ncco1 823774d97deecae4fd019470ce27d19e [0,0,0,0,0,0|2,1,0]=3 19 B9R1.11 CN(CF)c1nccs1 88ac077277607f8ef99c0154b3ada1f5 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.11 CN(CF)c1nnc[nH]1 5969bba1241261c8863d6cb19ce3a916 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.11 CN(CF)c1nnco1 8110977105f1be0842287493350dbc07 [0,0,0,0,0,0|3,1,0]=4 22 B9R1.11 CN(CO)c1cc[nH]n1 eba62e0b14b3a6f63ad5754b3bc1f0e7 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.11 CN(CO)c1ccon1 bf89360b2e82c0e99b3246a56b305b60 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.11 CN(CO)c1ncc[nH]1 5b9ac24689e7303c8aad21e68276de2a [0,0,0,0,0,0|3,0,0]=3 25 B9R1.11 CN(CO)c1ncco1 2ce190e8c8743a2489629a4f881c5274 [0,0,0,0,0,0|2,1,0]=3 26 B9R1.11 CN(CO)c1nccs1 5f91fe7a84bd2d4a63897b7ffb7eafb1 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.11 CN(CO)c1nnc[nH]1 c7b04d31261fd4540e8f3de8e10ac81b [0,0,0,0,0,0|4,0,0]=4 28 B9R1.11 CN(CO)c1nnco1 ea82f45de7d3b932e38d6345bcd622a8 [0,0,0,0,0,0|3,1,0]=4 29 B9R1.11 CN(CO)c1nncs1 dd28a6a977dbeeff048a33a30357358a [0,0,0,0,0,0|3,0,0]=3 30 B9R1.11 C[C@@H](CO)N1CC=CC1 fbf56c362808ea6a203278c043fe1436 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.11 C[C@H](CO)N1CC=CC1 3510fb6e2b7a8f2a324a5a92c965c996 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.7 CC(C)N1CC=CC1 2f652179d71f37d3a43571b3a9e5a44b [1,0,0,0,0,0|3,0,0]=4 33 B8R1.8 CCCN1CC=CC1 dffb66591d4209c0345506bebd28f7c4 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.8 CCNc1cc[nH]n1 1ec90843b0b722deac22a6d0b9230c30 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.8 CCNc1cccs1 f92887221cdfe270aa88f70a5b6538c3 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.8 CCNc1ccns1 2d79a3b4135a06a1b489318190c2601d [1,0,0,0,0,0|3,0,0]=4 37 B8R1.8 CCNc1ccon1 1b2b81379cbfa300ef6ff7f035534561 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.8 CCNc1cncs1 caf47a09a037d51cb6d8de3ed1ef2cd8 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.8 CCNc1cocn1 d8e901dc9f64240d769713656ef981d4 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.8 CCNc1cscn1 deb4d5205f2d6ad6b5aceaad6dba2646 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.8 CCNc1nc[nH]n1 6c33cf0453e6970bb8515d4d5c9f131d [1,0,0,0,0,0|3,0,0]=4 42 B8R1.8 CCNc1ncc[nH]1 9c694d8670fe0b12710364903a725787 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.8 CCNc1ncco1 9fef4809a1ac3d1c666a8faacb65e06b [1,0,0,0,0,0|1,1,0]=3 44 B8R1.8 CCNc1nccs1 80b16777a8c3f760bbf265ac2cdb6521 [1,0,0,0,0,0|1,0,0]=2 45 B8R1.8 CCNc1ncns1 ab33a2006b8e5863d02c2139c1f6b340 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.8 CCNc1ncon1 524638985275766252aef6ad03cd5d35 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.8 CCNc1ncsn1 318e8deb29021b861a2fd7f495e20e04 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.8 CCNc1nnco1 61cc1282bfb2a7c0677bca5ed48ec5a9 [1,0,0,0,0,0|2,1,0]=4 49 B8R1.8 CCNc1nncs1 f4238bbf01e2da8c7cb3260825740713 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.8 CCNc1nnns1 4fdda9301029af1c610b47a36b7ab9fd [1,0,0,0,0,0|3,0,0]=4 51 B8R1.8 CCOc1c[nH]cn1 5a57d5d014ff5f703d52daf8ebbbcbe1 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.8 CCOc1ccco1 e09af78840aa7c50339c3ce236ba2f4c [1,0,0,0,0,0|2,1,0]=4 53 B8R1.8 CCOc1cccs1 d21292a98c2ee3c1ea9b8b00e074b6ef [1,0,0,0,0,0|2,0,0]=3 54 B8R1.8 CCOc1nccs1 c7bf9113a012f962fcb198e0f8e767fe [1,0,0,0,0,0|1,0,0]=2 55 B8R1.8 CCOc1nncs1 e127a60b711c378b5df75f4dfb79580f [1,0,0,0,0,0|2,0,0]=3 56 B8R1.8 CCOn1cccn1 770cadc5246353a2a295ab96e14141ca [1,0,0,0,0,0|3,0,0]=4 57 B8R1.8 FCNc1cccs1 5e75f288d43648c29cd49234a17e1a9b [1,0,0,0,0,0|3,0,0]=4 58 B8R1.8 FCNc1ncc[nH]1 7e1136910a31ae6119771fbba5022125 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.8 FCNc1ncco1 f2516fdad5ce6b05dd015414dcc1a357 [1,0,0,0,0,0|2,1,0]=4 60 B8R1.8 FCNc1nccs1 41c06b597219efba0da515febf1d22d0 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.8 FCNc1ncns1 6f0a3ca912117aca73aac8f6d30c0149 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.8 FCNc1nncs1 ca86f341beb4089a98cfd64168dab1e9 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.8 FCOc1cccs1 5abe6db260cf1bf0ece10764373fe2fd [1,0,0,0,0,0|3,0,0]=4 64 B8R1.8 FCOc1nccs1 52842efe331bbe4c67721511b2fb7550 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.8 FCOc1nncs1 077267ee662842c6b6a5be59731196b4 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.8 O=CNc1nccs1 390a57e714801d3a9ba2a25dd47bacc9 [1,0,0,0,0,0|2,0,1]=4 67 B8R1.8 OCNc1cccs1 2c9e101236047184adb7524dbc050fa0 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.8 OCNc1ncc[nH]1 8779228d9622538cac84c5b84482a9b7 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.8 OCNc1ncco1 15920413347c3c350d4387dc3a094208 [1,0,0,0,0,0|2,1,0]=4 70 B8R1.8 OCNc1nccs1 45a5a57bb5cb8d2f68397bed9047efc5 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.8 OCNc1ncns1 b231840248e86b995fbc178e94ae85e1 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.8 OCNc1nncs1 75e77ace8df5a3eeb9f190bacbdc90d6 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.9 CCC(CC)N1CC=CC1 7ea8236280c157af45fc03ed7635f636 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.9 CCC(CO)N1CC=CC1 90c530c8c43320ab707b107f8b52ea8d [0,1,0,0,0,0|3,0,0]=4 75 B10R1.9 CCN(C=O)c1nccs1 6ec5f9906364bbdda8117095352cb157 [0,1,0,0,0,0|1,0,1]=3 76 B10R1.9 CCN(CC)c1nccs1 7df2f734f0ca981a5851b4e31be24651 [0,1,0,0,0,0|1,0,0]=2 77 B10R1.9 CCN(CF)c1nccs1 2140bd574e7d62ca865338fd64e2e96c [0,1,0,0,0,0|1,0,0]=2 78 B10R1.9 CCN(CO)c1nccs1 a4cbcedec13750fd5ea4394ad07331cb [0,1,0,0,0,0|1,0,0]=2 79 B10R1.11 C#CCN(C)c1ncc[nH]1 2d533600a7d604ed3feb09e005026a4d [0,1,0,0,0,0|2,0,1]=4 80 B10R1.11 C#CCN(C)c1ncco1 e89a858e3173a557a097a526c2bef0c4 [0,1,0,0,0,0|1,1,1]=4 81 B10R1.11 C#CCN(C)c1nccs1 ac0a85cf6aca2fa8336a2fc80bed7fc0 [0,1,0,0,0,0|1,0,1]=3 82 B10R1.11 C#CCN(C)c1nncs1 544971c938eadc4c88e8f29c58df3c81 [0,1,0,0,0,0|2,0,1]=4 83 B10R1.11 C=CCN(C)c1cccs1 502f71c717b4d7bf127fe205b4c74ec9 [0,1,0,0,0,0|2,0,1]=4 84 B10R1.11 C=CCN(C)c1ncc[nH]1 4a4bef8eceee6ab2a6c47e4dd34fbc17 [0,1,0,0,0,0|2,0,1]=4 85 B10R1.11 C=CCN(C)c1ncco1 997e40920d3b57ff0d7823d20e77317c [0,1,0,0,0,0|1,1,1]=4 86 B10R1.11 C=CCN(C)c1nccs1 14d987e5bcb79ca13ea7ba6b9d250c18 [0,1,0,0,0,0|1,0,1]=3 87 B10R1.11 C=CCN(C)c1nncs1 471b2033304ba94a63e3ea51d7b07a89 [0,1,0,0,0,0|2,0,1]=4 88 B10R1.11 CC(CCO)N1CC=CC1 559ef48b2db3f6eedaea3ecdb57a7975 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.11 CC(NC=O)c1cccs1 e140bba64e4c2e9bddbde06232ed8a5f [0,1,0,0,0,0|2,0,1]=4 90 B10R1.11 CC(NC=O)c1ncco1 8048fbe8a07781fd7bf6043c57ee8b10 [0,1,0,0,0,0|1,1,1]=4 91 B10R1.11 CC(NC=O)c1nccs1 541a9450fe3fad09b4e159d90cc05a59 [0,1,0,0,0,0|1,0,1]=3 92 B10R1.11 CC(NCF)c1cc[nH]n1 71e44d4a9409387a4aa5a9737d5e1975 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.11 CC(NCF)c1ccco1 ec50ac5ee30b386ceb27d74b468f7bbf [0,1,0,0,0,0|2,1,0]=4 94 B10R1.11 CC(NCF)c1cccs1 538db975b17beb16d09c569873cd1017 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.11 CC(NCF)c1ccon1 45ba72e9510387d076f1b05447cc7a16 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.11 CC(NCF)c1cncs1 31ebbbeaad6c42e7ff751f72bf1ab621 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.11 CC(NCF)c1cscn1 8c53ae468a3f086601a031731c438472 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.11 CC(NCF)c1ncco1 e60a7bfc7f8fa9566dc005e280a3ecb2 [0,1,0,0,0,0|1,1,0]=3 99 B10R1.11 CC(NCF)c1nccs1 eb81e3965a86e879812184e22e27e731 [0,1,0,0,0,0|1,0,0]=2 100 B10R1.11 CC(NCF)c1nnco1 ab056d582bae40996cc3f96558ccd6cd [0,1,0,0,0,0|2,1,0]=4 101 B10R1.11 CC(NCO)c1cc[nH]n1 8fa728ad51100ee1ad02135b14c37e8f [0,1,0,0,0,0|3,0,0]=4 102 B10R1.11 CC(NCO)c1ccco1 4881715caf8fce76fe938600d1a6b5e2 [0,1,0,0,0,0|2,1,0]=4 103 B10R1.11 CC(NCO)c1cccs1 57f1df017ba61f98516629346c2ff8bc [0,1,0,0,0,0|2,0,0]=3 104 B10R1.11 CC(NCO)c1ccon1 1d60387d41603cb238ded39436f377d7 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.11 CC(NCO)c1cncs1 22e7c359a23cafb0b315038188df8933 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.11 CC(NCO)c1cscn1 c5b7a7ac0a5ac2553ab797a3a459cfe5 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.11 CC(NCO)c1ncco1 a0ab4d37cc331fc13d3bfec973672bb3 [0,1,0,0,0,0|1,1,0]=3 108 B10R1.11 CC(NCO)c1nccs1 c26e85a7ca23ae9a0c9ea5df624b4f91 [0,1,0,0,0,0|1,0,0]=2 109 B10R1.11 CC(NCO)c1nnco1 1d29cb657d362b962bf6c964c2d8b82a [0,1,0,0,0,0|2,1,0]=4 110 B10R1.11 CC(OCF)c1cc[nH]n1 aced244dbca9aa2e6a2d036467b005de [0,1,0,0,0,0|3,0,0]=4 111 B10R1.11 CC(OCF)c1ccco1 0dc071426fbde92893ac6d911f8258f3 [0,1,0,0,0,0|2,1,0]=4 112 B10R1.11 CC(OCF)c1cccs1 5b9b19dbade8c35451c1c58ea48ca5f8 [0,1,0,0,0,0|2,0,0]=3 113 B10R1.11 CC(OCF)c1cncs1 a9a54d4d3b7778f4a8df0149036c26b5 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.11 CC(OCF)c1ncc[nH]1 fdb2c01b037af8a82abd6796feeaf9b2 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.11 CC(OCF)c1nccs1 bae636dd720452cf5c88c07ea183854e [0,1,0,0,0,0|1,0,0]=2 116 B10R1.11 CCCC(C)N1CC=CC1 c0aedacd7380aff95d306a36c8dd8a47 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.11 CCCN(C)c1cc[nH]n1 2fb3ce9b24cce7acbd967938c9c2d1d5 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.11 CCCN(C)c1ccon1 0971359ea82605c485655f00a47dbd53 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.11 CCCN(C)c1ncc[nH]1 e8c84813b2c4ad6337b4c1a2ba6be433 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.11 CCCN(C)c1ncco1 27c97316d262b6ffcd37b67051233e1e [0,1,0,0,0,0|1,1,0]=3 121 B10R1.11 CCCN(C)c1nccs1 8ff271e49b43b3c788542031f83d211b [0,1,0,0,0,0|1,0,0]=2 122 B10R1.11 CCCN(C)c1nnc[nH]1 a5ccc19d88f88d575278ee24abcbcef9 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.11 CCNC(C)c1cc[nH]n1 6de6e9a1e3a3e096ea988b52e8fc67a1 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.11 CCNC(C)c1ccco1 ee141e1d5a490da9995e04ce24e590f9 [0,1,0,0,0,0|1,1,0]=3 125 B10R1.11 CCNC(C)c1cccs1 d217c6227164550e2cf27839f17d7b0d [0,1,0,0,0,0|1,0,0]=2 126 B10R1.11 CCNC(C)c1ccoc1 51f91e7819ff70ad589a19783d2d1e7f [0,1,0,0,0,0|3,0,0]=4 127 B10R1.11 CCNC(C)c1ccon1 60b1e2342cb75797c649620e8b9c606f [0,1,0,0,0,0|2,0,0]=3 128 B10R1.11 CCNC(C)c1ccsc1 da7e9bdf27e108bf068594aa9e1ae5c7 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.11 CCNC(C)c1cncs1 cabba37039317a0db18a02e7e969e8c4 [0,1,0,0,0,0|2,0,0]=3 130 B10R1.11 CCNC(C)c1cscn1 d8db6119a206777a2999b8847c171074 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.11 CCNC(C)c1ncco1 c4d00da9a44dea11f4b3af43c48c7394 [0,1,0,0,0,0|0,1,0]=2 132 B10R1.11 CCNC(C)c1nccs1 d0a43af227120fc5ff8aaefd51698545 [0,1,0,0,0,0|0,0,0]=1 133 B10R1.11 CCNC(C)c1nnco1 1c2aa5eb9a032056d216c788f20af68b [0,1,0,0,0,0|1,1,0]=3 134 B10R1.11 CCN[C@@H](C)c1cccs1 643308288281e4a79a1aad46b2b514f3 [0,1,0,0,0,0|1,0,0]=2 135 B10R1.11 CCN[C@@H](C)c1ccoc1 75425dbf96352882f156e81d62516f84 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.11 CCN[C@@H](C)c1ccsc1 ecd13388917411273807ea58bccd8785 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.11 CCN[C@@H](C)c1cncs1 dd7fdf5f60f581c762093f34544f43db [0,1,0,0,0,0|2,0,0]=3 138 B10R1.11 CCN[C@@H](C)c1nccs1 3bb0895faeb677d909b68335fb31522e [0,1,0,0,0,0|0,0,0]=1 139 B10R1.11 CCN[C@H](C)c1ccco1 28eb0d4eaae628536a1bf1f770a877ab [0,1,0,0,0,0|1,1,0]=3 140 B10R1.11 CCN[C@H](C)c1cccs1 1ca8e8649158371392ad7c6e6ba6e0fd [0,1,0,0,0,0|1,0,0]=2 141 B10R1.11 CCOC(C)c1cc[nH]n1 b51b01cac1327effcef01f4b5448b832 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.11 CCOC(C)c1ccco1 3bd2b9ad01c83442911e7c1be5d2164d [0,1,0,0,0,0|1,1,0]=3 143 B10R1.11 CCOC(C)c1cccs1 bdf7829759511c8c50ea2c2aa36d0560 [0,1,0,0,0,0|1,0,0]=2 144 B10R1.11 CCOC(C)c1ccoc1 b62fd210eab0f455e78a5ca427ee9550 [0,1,0,0,0,0|3,0,0]=4 145 B10R1.11 CCOC(C)c1ccsc1 5d15722a3738ca4ca2fd2a1a16b34eaf [0,1,0,0,0,0|3,0,0]=4 146 B10R1.11 CCOC(C)c1cncs1 c56891f8aec97dc2805d20c4a85c5adb [0,1,0,0,0,0|2,0,0]=3 147 B10R1.11 CCOC(C)c1ncc[nH]1 70d6ebfb52cfa6bf86ec65f07b5f07d1 [0,1,0,0,0,0|1,0,0]=2 148 B10R1.11 CCOC(C)c1ncco1 7cec3e492c517a86e7c86f971db66cb7 [0,1,0,0,0,0|0,1,0]=2 149 B10R1.11 CCOC(C)c1nccs1 5bbb1f36bb111613b1ba28d717d2e3cb [0,1,0,0,0,0|0,0,0]=1 150 B10R1.11 CCO[C@@H](C)c1cccs1 83b5158aea0e4d918b99a57a2b105a52 [0,1,0,0,0,0|1,0,0]=2 151 B10R1.11 CCO[C@@H](C)c1nccs1 8ff02fccb198c1e4467c7f0265d43dac [0,1,0,0,0,0|0,0,0]=1 152 B10R1.11 CCO[C@H](C)c1ccco1 3c8ceb0e1dd139cd9173630218700cc9 [0,1,0,0,0,0|1,1,0]=3 153 B10R1.11 CCO[C@H](C)c1cccs1 9c5599ca0a5afb0124dc5c8f4336622b [0,1,0,0,0,0|1,0,0]=2 154 B10R1.11 CCO[C@H](C)c1nccs1 3d7039b5aa6539e92de371f39cde5a2c [0,1,0,0,0,0|0,0,0]=1 155 B10R1.11 CN(CC#N)c1ncc[nH]1 37351c20dc429468ce1ec8330ef42e33 [0,1,0,0,0,0|2,0,1]=4 156 B10R1.11 CN(CC#N)c1ncco1 622cbf902ab1b4997241f9f531a87366 [0,1,0,0,0,0|1,1,1]=4 157 B10R1.11 CN(CC#N)c1nccs1 c6cf3dbf75ec925946648cd0037dc1d3 [0,1,0,0,0,0|1,0,1]=3 158 B10R1.11 CN(CC#N)c1nncs1 22066f43c5a10f8d2d198c8470b313c6 [0,1,0,0,0,0|2,0,1]=4 159 B10R1.11 CN(CC=O)c1ncc[nH]1 af943169341516cbe3413db3fc7fb45c [0,1,0,0,0,0|2,0,1]=4 160 B10R1.11 CN(CC=O)c1ncco1 67ddaa0508c67b711ba2fcc9711a9eda [0,1,0,0,0,0|1,1,1]=4 161 B10R1.11 CN(CC=O)c1nccs1 1fe9f35417f4cf53e23d6593480e480d [0,1,0,0,0,0|1,0,1]=3 162 B10R1.11 CN(CC=O)c1nncs1 5928df110807948d4fd4faa1f1d78c43 [0,1,0,0,0,0|2,0,1]=4 163 B10R1.11 CN(CCF)c1cc[nH]n1 76e87b4a568da4daf4423bc692a11f0f [0,1,0,0,0,0|3,0,0]=4 164 B10R1.11 CN(CCF)c1ccon1 4f3b67d784c53ceb6613ac1a4be49a83 [0,1,0,0,0,0|3,0,0]=4 165 B10R1.11 CN(CCF)c1ncc[nH]1 f6b235c2a4a565a701bc328885acf898 [0,1,0,0,0,0|2,0,0]=3 166 B10R1.11 CN(CCF)c1ncco1 f62dd8d1be9a698e2e8ac19b6c305a75 [0,1,0,0,0,0|1,1,0]=3 167 B10R1.11 CN(CCF)c1nccs1 c99f5c48b394b58ec872b5c3b2611221 [0,1,0,0,0,0|1,0,0]=2 168 B10R1.11 CN(CCF)c1nnc[nH]1 b733657d01449a91264668e676689b9a [0,1,0,0,0,0|3,0,0]=4 169 B10R1.11 CN(CCF)c1nnco1 7272480d5144aa0da91f654a2569621a [0,1,0,0,0,0|2,1,0]=4 170 B10R1.11 CN(CCO)c1cc[nH]n1 e79266d33f1bd2dfc90f3daa0d8cbe1a [0,1,0,0,0,0|3,0,0]=4 171 B10R1.11 CN(CCO)c1ccns1 d634fbf25fb146ff20641ab747253d8d [0,1,0,0,0,0|3,0,0]=4 172 B10R1.11 CN(CCO)c1ccon1 ea00a6494847d924989b28d951a35b59 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.11 CN(CCO)c1ccsn1 f1e1bd1ec74807555f3fcab5c6254986 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.11 CN(CCO)c1ncc[nH]1 36f5b1c681f03a2e1a74aecaa3c1396c [0,1,0,0,0,0|2,0,0]=3 175 B10R1.11 CN(CCO)c1ncco1 8a1cfd74f3a8a3560a3a2657200adf4d [0,1,0,0,0,0|1,1,0]=3 176 B10R1.11 CN(CCO)c1nccs1 498c3e675f8cc6d4f0141ffa9a4ab5d6 [0,1,0,0,0,0|1,0,0]=2 177 B10R1.11 CN(CCO)c1nnco1 729f646dc0ddbea97d64c53c5f6ed96d [0,1,0,0,0,0|2,1,0]=4 178 B10R1.11 CN(CCO)c1nncs1 37610bb8677ae5fded61f509f07ba860 [0,1,0,0,0,0|2,0,0]=3 179 B10R1.11 CN(CCS)c1cc[nH]n1 3c45ca1e84511492f4c9877e565dfbb7 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.11 CN(CCS)c1ccon1 0be02a60b95bcc64160dfcbd207ff698 [0,1,0,0,0,0|3,0,0]=4 181 B10R1.11 CN(CCS)c1ncc[nH]1 dc825f27af287b1db6b3a1b891192827 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.11 CN(CCS)c1ncco1 141bb0b09527fb28922b6ad0ce997567 [0,1,0,0,0,0|1,1,0]=3 183 B10R1.11 CN(CCS)c1nccs1 2272134ae960ce2a19cb4a1e8972a1e8 [0,1,0,0,0,0|1,0,0]=2 184 B10R1.11 CN(CCS)c1nnc[nH]1 11758f897091d8f88b6f95ed44bf226f [0,1,0,0,0,0|3,0,0]=4 185 B10R1.11 CN(CCS)c1nnco1 1153655d39f78c3f8485873c8317f9e7 [0,1,0,0,0,0|2,1,0]=4 186 B10R1.11 CN(CCS)c1nncs1 7c892ba34825a1dd6f01bf4b6fd4fe9a [0,1,0,0,0,0|2,0,0]=3 187 B10R1.11 COCC(C)N1CC=CC1 9fc0d36b13988c4870498082c09fe906 [0,1,0,0,0,0|3,0,0]=4 188 B10R1.11 COCN(C)c1cc[nH]n1 28219971dd2033a0d4d134cdf01e8ffa [0,1,0,0,0,0|3,0,0]=4 189 B10R1.11 COCN(C)c1ccon1 22c98831acdbf511f4c32a80f5718d18 [0,1,0,0,0,0|3,0,0]=4 190 B10R1.11 COCN(C)c1ncc[nH]1 a737f4020d54d3df80a04f20a7b9034f [0,1,0,0,0,0|2,0,0]=3 191 B10R1.11 COCN(C)c1ncco1 fd4e73b073e55a294bac171ebf3cb532 [0,1,0,0,0,0|1,1,0]=3 192 B10R1.11 COCN(C)c1nccs1 c40927e4d133395764d6bc823039852b [0,1,0,0,0,0|1,0,0]=2 193 B10R1.11 COCN(C)c1nnc[nH]1 bc867f3fa154a262e607e6daa71b13bb [0,1,0,0,0,0|3,0,0]=4 194 B10R1.11 COCN(C)c1nnco1 492b69c2247b988e07273e81d6025442 [0,1,0,0,0,0|2,1,0]=4 195 B10R1.11 COCN(C)c1nncs1 34594b72c2cea3fdf63f065b11ee4e33 [0,1,0,0,0,0|2,0,0]=3 196 B10R1.11 CSCN(C)c1cc[nH]n1 2ef41bc2e052592ae97aca2cc7bbef2c [0,1,0,0,0,0|3,0,0]=4 197 B10R1.11 CSCN(C)c1ccon1 d3cbdb963246424833940bdacaeec6c2 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.11 CSCN(C)c1ncc[nH]1 b4b3e108f218a61917c27ebb678a61b6 [0,1,0,0,0,0|2,0,0]=3 199 B10R1.11 CSCN(C)c1ncco1 35af9b657fe866d2fb676c6afebe416e [0,1,0,0,0,0|1,1,0]=3 200 B10R1.11 CSCN(C)c1nccs1 fa4438ba7576130f4979aa3efe2232b5 [0,1,0,0,0,0|1,0,0]=2 201 B10R1.11 CSCN(C)c1nnc[nH]1 5b085271978371ed539efbd619d2d882 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.11 CSCN(C)c1nnco1 9f6822daa08896a5e8885e8459a13a9d [0,1,0,0,0,0|2,1,0]=4 203 B10R1.11 C[C@@H](NC=O)c1cccs1 f70bf3c872f03105dbd63b63dbb8840f [0,1,0,0,0,0|2,0,1]=4 204 B10R1.11 C[C@@H](NCF)c1ccco1 e5e97902e40ec0578a768aa3c7b12fce [0,1,0,0,0,0|2,1,0]=4 205 B10R1.11 C[C@@H](NCF)c1cccs1 1c720c02f6baa0f5262fb0f2cb2f15eb [0,1,0,0,0,0|2,0,0]=3 206 B10R1.11 C[C@@H](NCO)c1ccco1 d0b88fd7c99a35596cab0a6a81704914 [0,1,0,0,0,0|2,1,0]=4 207 B10R1.11 C[C@@H](NCO)c1cccs1 d8a308363d883f0d052036fc489c8b20 [0,1,0,0,0,0|2,0,0]=3 208 B10R1.11 C[C@@H](OCF)c1ccco1 b3b578f71aae2bbabe04fd12d3be7051 [0,1,0,0,0,0|2,1,0]=4 209 B10R1.11 C[C@@H](OCF)c1cccs1 bcd98948f5e8dc8098aaeb4e37474db9 [0,1,0,0,0,0|2,0,0]=3 210 B10R1.11 C[C@@H](OCF)c1nccs1 e6144d1e4fb9b809c4399029411e8f0b [0,1,0,0,0,0|1,0,0]=2 211 B10R1.11 C[C@H](NC=O)c1cccs1 4bb0ea6a6a82193677c759d4799a10ee [0,1,0,0,0,0|2,0,1]=4 212 B10R1.11 C[C@H](NC=O)c1nccs1 22346718a3f9347e57fdc1e347f48e6e [0,1,0,0,0,0|1,0,1]=3 213 B10R1.11 C[C@H](NCF)c1cccs1 ac6bf8c5071a01ff5d1c8c419011645d [0,1,0,0,0,0|2,0,0]=3 214 B10R1.11 C[C@H](NCF)c1cncs1 dbaea47bf808f73b9d2ddb91b0544bba [0,1,0,0,0,0|3,0,0]=4 215 B10R1.11 C[C@H](NCF)c1nccs1 542fce15ece7e971a35e6deef2c9be34 [0,1,0,0,0,0|1,0,0]=2 216 B10R1.11 C[C@H](NCO)c1cccs1 6e24574b17ea4cff857ea41b549a952c [0,1,0,0,0,0|2,0,0]=3 217 B10R1.11 C[C@H](NCO)c1cncs1 76b6f300b6566663eb15891e55a02cd1 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.11 C[C@H](NCO)c1nccs1 f87df5f8bf67cf2c27649b92a0408b51 [0,1,0,0,0,0|1,0,0]=2 219 B10R1.11 C[C@H](OCF)c1cccs1 eb659903705b1dadf6a4c506eb098d02 [0,1,0,0,0,0|2,0,0]=3 220 B10R1.11 C[C@H](OCF)c1nccs1 4d7c96418757aae0dc1e0fd59c404858 [0,1,0,0,0,0|1,0,0]=2 221 B10R1.14 CCN(C)c1c[nH]c(n1)N 9f6f64393a60bdc25466148360cc18b0 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.14 CCN(C)c1cc([nH]n1)C b5523e31eab18cc6e5711ecca4d06f50 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.14 CCN(C)c1cc(ns1)C e63f4e1bf25fb59d453552c2d3c135cc [0,1,0,0,0,0|3,0,0]=4 224 B10R1.14 CCN(C)c1cc(on1)C 8791004c1c200ce56b9bb5e0e068f1a9 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.14 CCN(C)c1ccc(o1)C 756b5c8d5f9750ba36120da486b7ea4d [0,1,0,0,0,0|2,1,0]=4 226 B10R1.14 CCN(C)c1ccn(n1)C e4ccbfb26b1e2d9f455c439149fa71ed [0,1,0,0,0,0|3,0,0]=4 227 B10R1.14 CCN(C)c1cnc(s1)N cb47d052d59db6f6c408c18b1c4b5d67 [0,1,0,0,0,0|3,0,0]=4 228 B10R1.14 CCN(C)c1coc(n1)N a7e057fc45379fbbf4f5f4233d33b09e [0,1,0,0,0,0|3,0,0]=4 229 B10R1.14 CCN(C)c1csc(n1)N 44a1385808f1f47f3e3df61555d95457 [0,1,0,0,0,0|3,0,0]=4 230 B10R1.14 CCN(C)c1nc(no1)C 7f3c766d22ef13cb01b30086880eefdf [0,1,0,0,0,0|2,1,0]=4 231 B10R1.14 CCN(C)c1nc(ns1)C 45b391d81af2a22c84ee899d8fa707b1 [0,1,0,0,0,0|2,0,0]=3 232 B10R1.14 CCN(C)c1ncc(s1)C 96ae259a4abeab0c72be243cf912fd46 [0,1,0,0,0,0|1,0,0]=2 233 B10R1.14 CCN(C)c1nnc(s1)Br 3270d2e4a10a0c7ed5ac5ad2b2b1c7f8 [0,1,0,0,0,0|2,0,0]=3 234 B10R1.14 CN(CF)c1ncc(s1)Br 275f05b056a8c55b3d1c882d2d77e231 [0,1,0,0,0,0|2,0,0]=3 235 B10R1.14 CN(CF)c1nnc(s1)Br 9c157afcfd2f7027b8e2dfb5eb88d63f [0,1,0,0,0,0|3,0,0]=4 236 B10R1.14 CN(CO)c1nc(ns1)Br c62ef698568765428206b096559ca379 [0,1,0,0,0,0|3,0,0]=4 237 B10R1.14 CN(CO)c1nnc(s1)Br 7b7b86c9669b0cbcea825624b4f2db5f [0,1,0,0,0,0|3,0,0]=4 238 B10R1.14 Cc1cnc(s1)N(C)CF a8afb40a144876b13150eaf37e3925f7 [0,1,0,0,0,0|2,0,0]=3 239 B10R1.14 Cc1cnc(s1)N(C)CO 51859c5658479dcb63c791c55c1b7dd8 [0,1,0,0,0,0|2,0,0]=3 240 B10R1.14 Cc1csc(n1)N(C)C=O f02723a7096f245a3feb7fb4e980a086 [0,1,0,0,0,0|2,0,1]=4 241 B10R1.14 Cc1csc(n1)N(C)CO a674fa1ccb74c6c4b3916ff24f3f40a0 [0,1,0,0,0,0|2,0,0]=3 242 B10R1.14 Cc1nnc(s1)N(C)CF dfbb1817ad6a46f922a91f76be521718 [0,1,0,0,0,0|3,0,0]=4 243 B10R1.14 Cc1nnc(s1)N(C)CO 32c245ed10392fecee46700691e693e5 [0,1,0,0,0,0|3,0,0]=4 244 B10R1.14 Cc1nsc(n1)N(C)CO 9718e8471a250b29f148d6990685c25f [0,1,0,0,0,0|3,0,0]=4 245 B10R1.23 CC(=O)N(C)c1ncco1 fbef3ee7d925bf7234b315644b4968be [0,1,0,0,0,0|1,1,1]=4 246 B10R1.23 CC(=O)N(C)c1nccs1 7aefce76e45e954968aec461666c7f6f [0,1,0,0,0,0|1,0,1]=3 247 B10R1.23 CC(=O)N(C)c1nncs1 33182bc8401ed0b737850f42dc8b639e [0,1,0,0,0,0|2,0,1]=4 248 B10R1.23 CC(C)C(C)N1CC=CC1 0a8ad73693073ce4317d43f31ef3d132 [0,1,0,0,0,0|3,0,0]=4 249 B10R1.23 CC(C)N(C)c1cc[nH]n1 b361212e8717080c4b031123f4db3743 [0,1,0,0,0,0|3,0,0]=4 250 B10R1.23 CC(C)N(C)c1ccon1 354658eeef5c34df18131c4a519c898d [0,1,0,0,0,0|3,0,0]=4 251 B10R1.23 CC(C)N(C)c1ncc[nH]1 e996d76195205f3f8762c434c29d54b3 [0,1,0,0,0,0|2,0,0]=3 252 B10R1.23 CC(C)N(C)c1ncco1 032eaac749afe91f9dd6a126785485bb [0,1,0,0,0,0|1,1,0]=3 253 B10R1.23 CC(C)N(C)c1nccs1 0da716d314b46282d1113d22534674ca [0,1,0,0,0,0|1,0,0]=2 254 B10R1.149 CCN(C)c1n[nH]cc1N e60d59c386abca6452a7bd11397656f7 [0,1,0,0,0,0|3,0,0]=4 255 B10R1.149 CCN(C)c1sccc1C 980430f2ff5e590baeb4fe4f062a4173 [0,1,0,0,0,0|2,0,0]=3 256 B8R0.3 C=CCC(=O)N(C)CC f1b04e365d34b887e43935a62308491d [0,0,1,0,0,0|2,1,0]=4 257 B8R0.3 C=CCN(C)C(C)CC 0f1e60581fe569ba5c9e9daeaa046c78 [0,0,1,0,0,0|3,0,0]=4 258 B8R0.6 C/C=C/CNC(C)CC 2f535abc28ee7f3cab8c7972351408f4 [0,0,1,0,0,0|3,0,0]=4 259 B8R0.6 C/C=C/CN[C@@H](C)CC b58e2f858cb751b98ede7a901acea099 [0,0,1,0,0,0|3,0,0]=4 260 B8R0.6 C/C=C/CN[C@H](C)CC 7387329309fa520abe5aa0a87b2bf959 [0,0,1,0,0,0|3,0,0]=4 261 B8R0.6 C/C=C/COC(C)CC 2c3616d32d17e7eb4e788e5738c8dc04 [0,0,1,0,0,0|3,0,0]=4 262 B8R0.6 C/C=C/CO[C@@H](C)CC 522e3c2ba2b761839a7a2dca4352293b [0,0,1,0,0,0|3,0,0]=4 263 B8R0.6 C/C=C/CO[C@H](C)CC 6e608186b48520ff54a704c9b9c244cd [0,0,1,0,0,0|3,0,0]=4 264 B8R0.6 C/C=C\CNC(C)CC 69ee21beee787232cb51df62e6b214aa [0,0,1,0,0,0|3,0,0]=4 265 B8R0.6 C/C=C\CN[C@@H](C)CC fc15fdf835e9d3828f552033e84b13ba [0,0,1,0,0,0|3,0,0]=4 266 B8R0.6 C/C=C\CN[C@H](C)CC bee9b00c3898d54386b9382944bdd17a [0,0,1,0,0,0|3,0,0]=4 267 B8R0.6 C/C=C\COC(C)CC b9929d282696082d2a43b3b1157a9118 [0,0,1,0,0,0|3,0,0]=4 268 B8R0.6 C/C=C\CO[C@@H](C)CC c2f4b87d51ab2c28a552b7c9d146a3ff [0,0,1,0,0,0|3,0,0]=4 269 B8R0.6 C/C=C\CO[C@H](C)CC 3671e83702b5414e0370b18b7de3dfff [0,0,1,0,0,0|3,0,0]=4 270 B8R0.6 CC=CCNC(C)CC f9cefac49ef4449ba822519139889b26 [0,0,1,0,0,0|3,0,0]=4 271 B8R0.6 CC=CCOC(C)CC 462ecd62704a4aa668833628374dcdbd [0,0,1,0,0,0|3,0,0]=4 272 B8R0.6 CCC(C)NC/C=C/Cl 467cbcd280b08dfba642a757638807ad [0,0,1,0,0,0|3,0,0]=4 273 B8R0.6 CCC(C)NC/C=C\Cl eee0606f9adf032697943eb923b2835e [0,0,1,0,0,0|3,0,0]=4 274 B8R0.6 CCC(C)NC/C=C\O 818543bea0e96b4a0313764957053b41 [0,0,1,0,0,0|2,1,0]=4 275 B8R0.6 CCC(C)OC/C=C/Cl 7289fd99765e7cf161b51f997847bf49 [0,0,1,0,0,0|3,0,0]=4 276 B8R0.6 CCC(C)OC/C=C\Cl 782b1df74804c15e4908554a5b09dc5f [0,0,1,0,0,0|3,0,0]=4 277 B8R0.6 CCC(C)OCC=CCl ef19df0abf0cca1b7fd475828cd20aba [0,0,1,0,0,0|3,0,0]=4 278 B8R0.6 CC[C@@H](C)NC/C=C/Cl 451353c431eb7a93abed8e53bc2b123c [0,0,1,0,0,0|3,0,0]=4 279 B8R0.6 CC[C@@H](C)NC/C=C\Cl b620ea9b070f06613fbae731992fe0d2 [0,0,1,0,0,0|3,0,0]=4 280 B8R0.6 CC[C@@H](C)NC/C=C\O b3c906b4f962e4324ee0f2eb29040690 [0,0,1,0,0,0|2,1,0]=4 281 B8R0.6 CC[C@@H](C)OC/C=C/Cl c34364513c04e8915ef6c131e4f06a8c [0,0,1,0,0,0|3,0,0]=4 282 B8R0.6 CC[C@@H](C)OC/C=C\Cl 99964f3d7dd6d863219720dba22e4d9f [0,0,1,0,0,0|3,0,0]=4 283 B8R0.6 CC[C@H](C)NC/C=C/Cl 492df1ac73249588a03c66c2511ceb2e [0,0,1,0,0,0|3,0,0]=4 284 B8R0.6 CC[C@H](C)NC/C=C\Cl 22dce979b1ae8d3c91df23f8a60d217a [0,0,1,0,0,0|3,0,0]=4 285 B8R0.6 CC[C@H](C)NC/C=C\O fba44c9072095af513e500375848defd [0,0,1,0,0,0|2,1,0]=4 286 B8R0.6 CC[C@H](C)OC/C=C/Cl 7bdd53a35156cd2801ddedbeb48a16cf [0,0,1,0,0,0|3,0,0]=4 287 B8R0.6 CC[C@H](C)OC/C=C\Cl 54ad37e3a2338523611e2faf3cc73677 [0,0,1,0,0,0|3,0,0]=4 288 B10R2.136 C1=CCN(C1)C2CCC2 7fcdf12149433ef6fc465431eb8ea9d9 [0,0,0,1,0,0|3,0,0]=4 289 B10R1.15 CCC(C)N1CC=CCC1 b75ab67fcb5a7ad6b12630f7d717dacc [0,0,0,0,0,1|3,0,0]=4 290 B10R1.15 CCN(C)c1ccccc1 9cc6568b1f30abe04427bdea858da30e [0,0,0,0,0,1|3,0,0]=4 291 B10R1.15 CCN(C)c1cccnc1 04b21f569d4c75e23135eca19e8dfd7f [0,0,0,0,0,1|2,0,0]=3 292 B10R1.15 CCN(C)c1ccncc1 b94b8554b6698451ca404459911593cc [0,0,0,0,0,1|3,0,0]=4 293 B10R1.15 CCN(C)c1ccncn1 d3188d994a55f552daffb246c4de2ff9 [0,0,0,0,0,1|2,0,0]=3 294 B10R1.15 CCN(C)c1ccnnc1 1ac91ab60a635fb5329291a771fa3c6f [0,0,0,0,0,1|3,0,0]=4 295 B10R1.15 CCN(C)c1cnccn1 a8ffa0df115721fdc6dd2269b8097d32 [0,0,0,0,0,1|2,0,0]=3 296 B10R1.15 CCN(C)c1ncccn1 2190b05b172124b2ca945163c4e222f5 [0,0,0,0,0,1|2,0,0]=3 297 B10R1.15 CCN(C)c1nccnn1 1e7db70c44a1fbbd9523378dfbbdb889 [0,0,0,0,0,1|2,0,0]=3 298 B10R1.15 CN(CF)c1ccccn1 1bdd19ff0d205b3af825ce3149dae35a [0,0,0,0,0,1|3,0,0]=4 299 B10R1.15 CN(CF)c1cccnc1 242d56eee61bf5da227aba2cc8ffb8a2 [0,0,0,0,0,1|3,0,0]=4 300 B10R1.15 CN(CF)c1cccnn1 87ccbbd311af984b471e31f39b7d88c9 [0,0,0,0,0,1|3,0,0]=4 301 B10R1.15 CN(CF)c1ccncn1 dd35d7d4b1ae5a94e3a96155d3ddf989 [0,0,0,0,0,1|3,0,0]=4 302 B10R1.15 CN(CF)c1cnccn1 a9fa5c6bd903856b36188b1f0c8b1c0b [0,0,0,0,0,1|3,0,0]=4 303 B10R1.15 CN(CF)c1ncccn1 b1999854f0746572e7784887c3a97b9c [0,0,0,0,0,1|3,0,0]=4 304 B10R1.15 CN(CF)c1nccnn1 f4a791a4ef58a436a884994b50b441f6 [0,0,0,0,0,1|3,0,0]=4 305 B10R1.15 CN(CO)c1ccccn1 a93cc933fdb4d1c91563e07701d40cda [0,0,0,0,0,1|3,0,0]=4 306 B10R1.15 CN(CO)c1cccnc1 021ae75de63d9271d48b9d5b4bd35a1c [0,0,0,0,0,1|3,0,0]=4 307 B10R1.15 CN(CO)c1cccnn1 be811b1cf960929fa458e0250d378c6f [0,0,0,0,0,1|3,0,0]=4 308 B10R1.15 CN(CO)c1ccncn1 a0ce77c92dad4b75e71448a3bf35bb62 [0,0,0,0,0,1|3,0,0]=4 309 B10R1.15 CN(CO)c1cnccn1 789c6aa6696e30e272870a4861e371ee [0,0,0,0,0,1|3,0,0]=4 310 B10R1.15 CN(CO)c1ncccn1 1d0259c5924bbad417fbb3fa93be26d3 [0,0,0,0,0,1|3,0,0]=4 311 B10R1.15 CN(CO)c1nccnn1 0728cf3a3b28771d5a527d99cb863b03 [0,0,0,0,0,1|3,0,0]=4 312 B10R1.27 C=CC(C)Nc1cccs1 7645a4e587a24be39cfb5f4b0c39d0c2 [0,0,0,0,0,1|1,0,2]=4 313 B10R1.27 C=CC(C)Nc1ncc[nH]1 daa968986eca16854d9fc170c4d60817 [0,0,0,0,0,1|1,0,2]=4 314 B10R1.27 C=CC(C)Nc1ncco1 3bed6f6e94e1dfe297c590b6f8c1f830 [0,0,0,0,0,1|0,1,2]=4 315 B10R1.27 C=CC(C)Nc1nccs1 4892c4dcd11edbb57e59f2193e350f38 [0,0,0,0,0,1|0,0,2]=3 316 B10R1.27 C=CC(C)Nc1ncns1 aadfded9bdef2b3355573a3f7f5a46be [0,0,0,0,0,1|1,0,2]=4 317 B10R1.27 C=CC(C)Nc1nncs1 e892f9dbb75bfcd059a63eefec0ee6bb [0,0,0,0,0,1|1,0,2]=4 318 B10R1.27 C=CC(C)Oc1cccs1 64435a2964807fb9591195477a09cb44 [0,0,0,0,0,1|1,0,2]=4 319 B10R1.27 C=CC(C)Oc1nccs1 f55cc73000febc60c6f03e20c45c00e2 [0,0,0,0,0,1|0,0,2]=3 320 B10R1.27 C=CC(C)Oc1nncs1 5201f3b3f302119bc5e42d15bef889d3 [0,0,0,0,0,1|1,0,2]=4 321 B10R1.27 CC(C#N)Nc1ncco1 4182b68e8e326f0821dcd8d2077d378d [0,0,0,0,0,1|1,1,1]=4 322 B10R1.27 CC(C#N)Nc1nccs1 d6821cefa6e8ddc2a204290076747f5f [0,0,0,0,0,1|1,0,1]=3 323 B10R1.27 CC(C=O)Nc1cccs1 7379279bea2ff0cb31c5730c7b728258 [0,0,0,0,0,1|2,0,1]=4 324 B10R1.27 CC(C=O)Nc1ncc[nH]1 3125d20eeea1f981d440315960a47849 [0,0,0,0,0,1|2,0,1]=4 325 B10R1.27 CC(C=O)Nc1ncco1 5b5af1995e8538075b0d152bdcf5cf5d [0,0,0,0,0,1|1,1,1]=4 326 B10R1.27 CC(C=O)Nc1nccs1 2e0666457799891a51aabb9c7fe53a14 [0,0,0,0,0,1|1,0,1]=3 327 B10R1.27 CC(C=O)Nc1ncns1 830d6daca2223e080a5aa78091a7edec [0,0,0,0,0,1|2,0,1]=4 328 B10R1.27 CC(C=O)Nc1nncs1 6c0528bc62681e17946f26fac37c7bea [0,0,0,0,0,1|2,0,1]=4 329 B10R1.27 CC(C=O)Oc1cccs1 10ebe9c7137d665df269537ffb13543c [0,0,0,0,0,1|2,0,1]=4 330 B10R1.27 CC(C=O)Oc1nccs1 5474bc6fd4a1c0df032125966e9e1e10 [0,0,0,0,0,1|1,0,1]=3 331 B10R1.27 CC(C=O)Oc1nncs1 e68d0b824f3afe4b1f3c9bfc5cbcd70b [0,0,0,0,0,1|2,0,1]=4 332 B10R1.27 CC(CO)Nc1c[nH]cn1 6eb72fdd51dd6b72bb521d8dfb245acb [0,0,0,0,0,1|3,0,0]=4 333 B10R1.27 CC(CO)Nc1cc[nH]n1 0ffd55994cce1a1b0cbcd9395752b322 [0,0,0,0,0,1|3,0,0]=4 334 B10R1.27 CC(CO)Nc1ccns1 d981ccbdd671efd65ca79878dbd4cacc [0,0,0,0,0,1|3,0,0]=4 335 B10R1.27 CC(CO)Nc1ccon1 f90964f8106751aa4c76d39a330214fd [0,0,0,0,0,1|3,0,0]=4 336 B10R1.27 CC(CO)Nc1cncs1 ec530026e2a565a6d5fe442a1b9376ec [0,0,0,0,0,1|3,0,0]=4 337 B10R1.27 CC(CO)Nc1cscn1 d0420bafbc963c287a91fad21e61ad63 [0,0,0,0,0,1|3,0,0]=4 338 B10R1.27 CC(CO)Nc1nc[nH]n1 db919cdf61dec1d499c0c57cf7f8cc4b [0,0,0,0,0,1|3,0,0]=4 339 B10R1.27 CC(CO)Nc1ncc[nH]1 dc65cc129b4d6607a3f16b77105f4174 [0,0,0,0,0,1|2,0,0]=3 340 B10R1.27 CC(CO)Nc1ncco1 476e20dc977ed373fbd6582477a12781 [0,0,0,0,0,1|1,1,0]=3 341 B10R1.27 CC(CO)Nc1nccs1 3af8aa6c51a5e4ace65bcef7b413dad9 [0,0,0,0,0,1|1,0,0]=2 342 B10R1.27 CC(CO)Nc1ncns1 f8fc11a060dd6488b88191a7f152c1c3 [0,0,0,0,0,1|2,0,0]=3 343 B10R1.27 CC(CO)Nc1ncon1 b18412c7a24cd6076d8e70888701770b [0,0,0,0,0,1|3,0,0]=4 344 B10R1.27 CC(CO)Nc1nnco1 ee7792758e8f08e9f95161a99c7e2ea3 [0,0,0,0,0,1|2,1,0]=4 345 B10R1.27 CC(CO)Nc1nncs1 029f6503eb41f57fe994771d8556e7b7 [0,0,0,0,0,1|2,0,0]=3 346 B10R1.27 CC(CO)Nc1nnns1 48816935caae62d808a76675a88e0ebd [0,0,0,0,0,1|3,0,0]=4 347 B10R1.27 CCC(=O)Nc1cccs1 f50607963147f2d3b2fa22a860c7bc5f [0,0,0,0,0,1|2,0,1]=4 348 B10R1.27 CCC(=O)Nc1ncco1 ee37f68e5f52d9668d0f9933ef28c6fc [0,0,0,0,0,1|1,1,1]=4 349 B10R1.27 CCC(=O)Nc1nccs1 fdccf754ab8887b68e7072ae126b79a6 [0,0,0,0,0,1|1,0,1]=3 350 B10R1.27 CCC(=O)Nc1ncns1 a3c1aec9246a2174d4a79b7cede592fe [0,0,0,0,0,1|2,0,1]=4 351 B10R1.27 CCC(=O)Nc1nncs1 eab91dcc24e496a063c09c00778c9e7a [0,0,0,0,0,1|2,0,1]=4 352 B10R1.27 CCC(C)CN1CC=CC1 af5b15bfcab354ae36c612da9dd69612 [0,0,0,0,0,1|3,0,0]=4 353 B10R1.27 CCC(C)NC1CC=CC1 b128cbbcabc2b439ba1015561a11c2d4 [0,0,0,0,0,1|2,0,1]=4 354 B10R1.27 CCC(C)Nc1cc[nH]n1 09de7dfeb6644aa25d1b7ef6ff214ab5 [0,0,0,0,0,1|2,0,0]=3 355 B10R1.27 CCC(C)Nc1ccno1 62da887b146173e61776cb28fb7d4be3 [0,0,0,0,0,1|2,1,0]=4 356 B10R1.27 CCC(C)Nc1ccns1 06b03268348cafc8cda8651b0dc84600 [0,0,0,0,0,1|2,0,0]=3 357 B10R1.27 CCC(C)Nc1ccon1 414589f6fc16ca502b791f63f083c906 [0,0,0,0,0,1|2,0,0]=3 358 B10R1.27 CCC(C)Nc1ccsc1 7eaab02a416c25d5815b6ff6d36cc092 [0,0,0,0,0,1|3,0,0]=4 359 B10R1.27 CCC(C)Nc1cnon1 3ecc9a886d07818767969d53b91a17ae [0,0,0,0,0,1|3,0,0]=4 360 B10R1.27 CCC(C)Nc1cocn1 8b972e2f9ba535494feb0aec3203f3ae [0,0,0,0,0,1|2,0,0]=3 361 B10R1.27 CCC(C)Nc1cscn1 90fc9e14235e73feb81b47279a0cf0ea [0,0,0,0,0,1|2,0,0]=3 362 B10R1.27 CCC(C)Nc1nc[nH]n1 592419855f8b7bdd0dd3f651dbcd911c [0,0,0,0,0,1|2,0,0]=3 363 B10R1.27 CCC(C)Nc1ncc[nH]1 955376107bc7153bb56fe54fc04de2cf [0,0,0,0,0,1|1,0,0]=2 364 B10R1.27 CCC(C)Nc1ncco1 dd1a41bdc7d3616e95ccaa3968dfc430 [0,0,0,0,0,1|0,1,0]=2 365 B10R1.27 CCC(C)Nc1nccs1 14d585ec4dbfab69000ae73fa3ea4f85 [0,0,0,0,0,1|0,0,0]=1 366 B10R1.27 CCC(C)Nc1ncns1 ecac1cd462519d997a1a792e0c9e249d [0,0,0,0,0,1|1,0,0]=2 367 B10R1.27 CCC(C)Nc1ncon1 5f48cd735f1ad2222b3dcaed6dae4db5 [0,0,0,0,0,1|2,0,0]=3 368 B10R1.27 CCC(C)Nc1nn[nH]n1 f7c9a3b13bafade428725a5b5928e542 [0,0,0,0,0,1|3,0,0]=4 369 B10R1.27 CCC(C)Nc1nnco1 cd5b4457ccc1397a973f3664417635bb [0,0,0,0,0,1|1,1,0]=3 370 B10R1.27 CCC(C)Nc1nncs1 610af03be4551c389d5b5c86209ca1a6 [0,0,0,0,0,1|1,0,0]=2 371 B10R1.27 CCC(C)Nc1nnns1 84f5796457f2bf39aa302331feff26f7 [0,0,0,0,0,1|2,0,0]=3 372 B10R1.27 CCC(C)OC1CC=CC1 f3ba664e17f6ce25400ae389f185c8b8 [0,0,0,0,0,1|2,0,1]=4 373 B10R1.27 CCC(C)Oc1c[nH]cn1 14c44c5bc000242eb7c714fd3f30d115 [0,0,0,0,0,1|2,0,0]=3 374 B10R1.27 CCC(C)Oc1ccco1 d0beb7fde6d54ae64363161825c47c35 [0,0,0,0,0,1|1,1,0]=3 375 B10R1.27 CCC(C)Oc1cccs1 3541fcdf455861cca5d3a82e83b56fc2 [0,0,0,0,0,1|1,0,0]=2 376 B10R1.27 CCC(C)Oc1ccn[nH]1 8121f17a42999d5cb950a437f710e113 [0,0,0,0,0,1|2,0,1]=4 377 B10R1.27 CCC(C)Oc1ccsc1 f6e91691f71a98584aafe2fd8c513359 [0,0,0,0,0,1|3,0,0]=4 378 B10R1.27 CCC(C)Oc1cnsn1 dae0592346b1a7a4a2c566aa32b85011 [0,0,0,0,0,1|3,0,0]=4 379 B10R1.27 CCC(C)Oc1nccs1 552d81292af32750494a1fa49e5bd981 [0,0,0,0,0,1|0,0,0]=1 380 B10R1.27 CCC(C)Oc1nncs1 7ffdc529a5b5236e70aea4a9113ae405 [0,0,0,0,0,1|1,0,0]=2 381 B10R1.27 CCC(C)On1cccn1 2390f189d726e5ed12116795d0aa5b0c [0,0,0,0,0,1|2,0,0]=3 382 B10R1.27 CCN(C)Cc1ccc[nH]1 e347aa0aab5f8b91131036b76761899f [0,0,0,0,0,1|2,0,1]=4 383 B10R1.27 CCN(C)Cc1ccco1 76ba84af7af62748e537e57011bb5102 [0,0,0,0,0,1|2,1,0]=4 384 B10R1.27 CCN(C)Cc1cccs1 5856368746510a7217772fc0f20fa2c2 [0,0,0,0,0,1|2,0,0]=3 385 B10R1.27 CCN(C)Cc1ccon1 c90d9e708af50f84c1e50522b4b05519 [0,0,0,0,0,1|3,0,0]=4 386 B10R1.27 CCN(C)Cc1cocn1 cc520ad18a02391d9294dc6a870d4277 [0,0,0,0,0,1|3,0,0]=4 387 B10R1.27 CCN(C)Cc1cscn1 06b0ef73797210f2d8dd9715ba27cbeb [0,0,0,0,0,1|3,0,0]=4 388 B10R1.27 CCN(C)Cc1nc[nH]n1 777efcaff0e65ea1d4d3ecaefac33c98 [0,0,0,0,0,1|3,0,0]=4 389 B10R1.27 CCN(C)Cc1ncc[nH]1 51576a26cf23285268fc6a43ae44df8c [0,0,0,0,0,1|2,0,0]=3 390 B10R1.27 CCN(C)Cc1ncco1 fbd451ad928ae1f8a9b5356432adeaee [0,0,0,0,0,1|1,1,0]=3 391 B10R1.27 CCN(C)Cc1nccs1 83da24133995872d4de5fd709f9e84fb [0,0,0,0,0,1|1,0,0]=2 392 B10R1.27 CCN(C)Cn1nccn1 3e8de9621fd41fc82abad2bdacacc101 [0,0,0,0,0,1|3,0,0]=4 393 B10R1.27 CC[C@@H](C)CN1CC=CC1 20d11abbc0e13031ce8753a65b1c15e3 [0,0,0,0,0,1|3,0,0]=4 394 B10R1.27 CC[C@@H](C)Nc1ccns1 54df8c9edf490c0ca98b4518811bd68a [0,0,0,0,0,1|2,0,0]=3 395 B10R1.27 CC[C@@H](C)Nc1nccs1 bd90c5ea462b27161ef27a60e27ab6aa [0,0,0,0,0,1|0,0,0]=1 396 B10R1.27 CC[C@H](C)CN1CC=CC1 a294b04db22b4735e4fa9a1c092c1fb3 [0,0,0,0,0,1|3,0,0]=4 397 B10R1.27 CC[C@H](C)Nc1ccns1 914985381b44fe0dd82aa68a592147bd [0,0,0,0,0,1|2,0,0]=3 398 B10R1.27 CC[C@H](C)Nc1nccs1 438f0d8e3c7d2f6718abcfb5a0246117 [0,0,0,0,0,1|0,0,0]=1 399 B10R1.27 CN(C=O)Cc1nccs1 a3bd43bc10f536518bdaa7096f1d5b2f [0,0,0,0,0,1|2,0,1]=4 400 B10R1.27 CN(CF)Cc1ncc[nH]1 4e9c458f5ea3d2214ca9f7706459c7e4 [0,0,0,0,0,1|3,0,0]=4 401 B10R1.27 CN(CF)Cc1ncco1 1f4cfd94c4573d62c0a91fe2a7a54ada [0,0,0,0,0,1|2,1,0]=4 402 B10R1.27 CN(CF)Cc1nccs1 76b81ecc461bfd98c8cd773e6baa9fa4 [0,0,0,0,0,1|2,0,0]=3 403 B10R1.27 CN(CO)Cc1cccs1 a40c7fb2047d4e6a583417f484ade9f5 [0,0,0,0,0,1|3,0,0]=4 404 B10R1.27 CN(CO)Cc1ncc[nH]1 870d2e3d7bd3e228151c9a4447081ff6 [0,0,0,0,0,1|3,0,0]=4 405 B10R1.27 CN(CO)Cc1ncco1 18a5a35534ae83cc3936672ca18cdcd7 [0,0,0,0,0,1|2,1,0]=4 406 B10R1.27 CN(CO)Cc1nccs1 d06950d5c93aa4efb61588c7e01d60dc [0,0,0,0,0,1|2,0,0]=3 407 B10R1.27 C[C@@H](CO)Nc1c[nH]cn1 4d37ea81516d8b3a5ad800d13f38c6fc [0,0,0,0,0,1|3,0,0]=4 408 B10R1.27 C[C@@H](CO)Nc1cc[nH]n1 bd5e87838b6fa04965268423835b08a2 [0,0,0,0,0,1|3,0,0]=4 409 B10R1.27 C[C@@H](CO)Nc1ccns1 fc0639dc64a6eb6ac1f913f3a10230ea [0,0,0,0,0,1|3,0,0]=4 410 B10R1.27 C[C@@H](CO)Nc1cscn1 22be2db7c9adea2c3985a07cff732a41 [0,0,0,0,0,1|3,0,0]=4 411 B10R1.27 C[C@@H](CO)Nc1nc[nH]n1 2f855ef4c06f113205456a6692a0ba82 [0,0,0,0,0,1|3,0,0]=4 412 B10R1.27 C[C@@H](CO)Nc1ncc[nH]1 cb8c1a0c0a3a444b7a97e5d80643c1f9 [0,0,0,0,0,1|2,0,0]=3 413 B10R1.27 C[C@@H](CO)Nc1ncco1 d4704a7540aa2361b2782f41f8ef8798 [0,0,0,0,0,1|1,1,0]=3 414 B10R1.27 C[C@@H](CO)Nc1nccs1 0bcb7a0b35e1463326ec7c2359e6f1cc [0,0,0,0,0,1|1,0,0]=2 415 B10R1.27 C[C@@H](CO)Nc1ncns1 35a98768f49d894c18fcbf6e4b8cad34 [0,0,0,0,0,1|2,0,0]=3 416 B10R1.27 C[C@@H](CO)Nc1ncon1 5cdc91e66153d854abb4d0165725b258 [0,0,0,0,0,1|3,0,0]=4 417 B10R1.27 C[C@@H](CO)Nc1nnco1 780e56572b8ab009c1b0d218e59d08ea [0,0,0,0,0,1|2,1,0]=4 418 B10R1.27 C[C@@H](CO)Nc1nncs1 bbb6a1e9bebb1b32ab4c12248a67cc7d [0,0,0,0,0,1|2,0,0]=3 419 B10R1.27 C[C@@H](CO)Nc1nnns1 462c67a00446362a03d3a4fd0dccdca6 [0,0,0,0,0,1|3,0,0]=4 420 B10R1.27 C[C@H](C=O)Nc1cccs1 ae02474b765b84e7ec793db927e1dc57 [0,0,0,0,0,1|2,0,1]=4 421 B10R1.27 C[C@H](C=O)Nc1ncc[nH]1 62e8959deece14c5151028cd647fbc3a [0,0,0,0,0,1|2,0,1]=4 422 B10R1.27 C[C@H](C=O)Nc1ncco1 039d5e5c75e8478f964628dea1bd1d43 [0,0,0,0,0,1|1,1,1]=4 423 B10R1.27 C[C@H](C=O)Nc1nccs1 8a5ee957a92c8274c80b6f4b2e78c2ae [0,0,0,0,0,1|1,0,1]=3 424 B10R1.27 C[C@H](C=O)Nc1ncns1 6cfe5288ccc7be2f95df60a4562784eb [0,0,0,0,0,1|2,0,1]=4 425 B10R1.27 C[C@H](C=O)Nc1nncs1 951e14807e0df9c38a3a04b36f789154 [0,0,0,0,0,1|2,0,1]=4 426 B10R1.27 C[C@H](C=O)Oc1cccs1 045ffed072fb5b406aa66d23a75a781e [0,0,0,0,0,1|2,0,1]=4 427 B10R1.27 C[C@H](C=O)Oc1nccs1 1982660f7c2e32078985b223634eaee3 [0,0,0,0,0,1|1,0,1]=3 428 B10R1.27 C[C@H](C=O)Oc1nncs1 89a63824e72267029f888a96bf64cfe9 [0,0,0,0,0,1|2,0,1]=4 429 B10R1.27 C[C@H](CO)Nc1c[nH]cn1 a9db3affd03815e8461b33aca9cef864 [0,0,0,0,0,1|3,0,0]=4 430 B10R1.27 C[C@H](CO)Nc1cc[nH]n1 06133ea0c7b0418e8486885775236cea [0,0,0,0,0,1|3,0,0]=4 431 B10R1.27 C[C@H](CO)Nc1ccns1 671a2b7a32a2faa86cb2cc86b97885b2 [0,0,0,0,0,1|3,0,0]=4 432 B10R1.27 C[C@H](CO)Nc1cscn1 769919f81796fd5fc01a621e09132665 [0,0,0,0,0,1|3,0,0]=4 433 B10R1.27 C[C@H](CO)Nc1nc[nH]n1 6e5313c806c277239b76c15aad17549d [0,0,0,0,0,1|3,0,0]=4 434 B10R1.27 C[C@H](CO)Nc1ncc[nH]1 e959c8adf326dfc6c3beedbc3728b254 [0,0,0,0,0,1|2,0,0]=3 435 B10R1.27 C[C@H](CO)Nc1ncco1 b40b86c99c3d96039154be111d41b3a2 [0,0,0,0,0,1|1,1,0]=3 436 B10R1.27 C[C@H](CO)Nc1nccs1 50b88dc633b43e9b1ba1c862b8a07226 [0,0,0,0,0,1|1,0,0]=2 437 B10R1.27 C[C@H](CO)Nc1ncns1 47db5871a6716555c154655bbccb7a0b [0,0,0,0,0,1|2,0,0]=3 438 B10R1.27 C[C@H](CO)Nc1ncon1 7eb9c706e2ed452c7a64c55726f2705d [0,0,0,0,0,1|3,0,0]=4 439 B10R1.27 C[C@H](CO)Nc1nnco1 82b47113bbc11e50ac693c6513db24a4 [0,0,0,0,0,1|2,1,0]=4 440 B10R1.27 C[C@H](CO)Nc1nncs1 57badc634144d71ff0e5d8157851db04 [0,0,0,0,0,1|2,0,0]=3 441 B10R1.27 C[C@H](CO)Nc1nnns1 26e4e0c3ad99ddb398e6fc4d4a746647 [0,0,0,0,0,1|3,0,0]=4 442 B10R1.27 O=C(CF)Nc1nccs1 f4957295fbac2e3be4de2d3b24bdeb37 [0,0,0,0,0,1|2,0,1]=4 443 B10R1.27 O=C(CO)Nc1nccs1 4ab8c7cb024d8e0de607a8771bb61f22 [0,0,0,0,0,1|2,0,1]=4 444 B10R1.27 O=C(CS)Nc1nccs1 5645898068526a559772b933394d1e55 [0,0,0,0,0,1|2,0,1]=4 445 B7R0.3 C=CCNC(C)CC d45d48be61d418ef3d95cad9c5582bbe [1,0,1,0,0,0|2,0,0]=4 446 B7R0.3 C=CCN[C@@H](C)CC c610fd310f1909b965f637191eeb2b15 [1,0,1,0,0,0|2,0,0]=4 447 B7R0.3 C=CCN[C@H](C)CC 0c789cf00460bd8cdb23c51009c4742c [1,0,1,0,0,0|2,0,0]=4 448 B7R0.3 C=CCOC(C)CC 787a9267d8fe014db706087d78f6c857 [1,0,1,0,0,0|2,0,0]=4 449 B7R0.3 C=CCO[C@@H](C)CC b304fc3faf864b09563f01310febaac7 [1,0,1,0,0,0|2,0,0]=4 450 B7R0.3 C=CCO[C@H](C)CC 15018d65de2076ec221d9660c184c296 [1,0,1,0,0,0|2,0,0]=4 451 B7R0.10 C=CC(=O)N(C)CC 5cdce1a1cd893d8ab1284f8177670f55 [1,0,1,0,0,0|1,1,0]=4 452 B9R1.7 CCNc1ccc(s1)Br 9887066c4f23e7daf2738532a866a93f [1,1,0,0,0,0|2,0,0]=4 453 B9R1.7 CCNc1ccc(s1)C 6cc2b61cb21c538e8a3c4748615dc171 [1,1,0,0,0,0|2,0,0]=4 454 B9R1.7 CCNc1nc(=S)ss1 a51d3a730d55d0ecca8dd3b7e227e5c8 [1,1,0,0,0,0|2,0,0]=4 455 B9R1.7 CCNc1nc(c[nH]1)Br 93123e4cf86e8caabda7db8ce2d7ed62 [1,1,0,0,0,0|2,0,0]=4 456 B9R1.7 CCNc1nc(co1)Br cde866043d3b4c3b5137ab3d11a6d624 [1,1,0,0,0,0|1,1,0]=4 457 B9R1.7 CCNc1nc(co1)C b26a52f95975447075cfb8a89ed6d926 [1,1,0,0,0,0|1,1,0]=4 458 B9R1.7 CCNc1nc(cs1)Br 4627c7d3c58ac240235fbe7efb6a3335 [1,1,0,0,0,0|1,0,0]=3 459 B9R1.7 CCNc1nc(cs1)C d6f1a2a4dfbfdca53a2398d3f561dee6 [1,1,0,0,0,0|1,0,0]=3 460 B9R1.7 CCNc1nc(cs1)Cl 1618edd22041ddf94ac231dee45a78c7 [1,1,0,0,0,0|1,0,0]=3 461 B9R1.7 CCNc1nc(ns1)Br 0c53b592731aac41267d75efc16a4525 [1,1,0,0,0,0|2,0,0]=4 462 B9R1.7 CCNc1nc(ns1)C 2bae9c468ba3daae8385f5ed6a79771f [1,1,0,0,0,0|2,0,0]=4 463 B9R1.7 CCNc1nc(ns1)Cl 1fd33567f45d9962eaca6b92dafb0e76 [1,1,0,0,0,0|2,0,0]=4 464 B9R1.7 CCNc1ncc([nH]1)C 5ac775ce6f9d77e92c163881f0d757c2 [1,1,0,0,0,0|2,0,0]=4 465 B9R1.7 CCNc1ncc(o1)C b4b13cff670e86276ca545bfd94c7840 [1,1,0,0,0,0|1,1,0]=4 466 B9R1.7 CCNc1ncc(s1)Br 0af4656f21e9a50b7d44255eaa06e8dc [1,1,0,0,0,0|1,0,0]=3 467 B9R1.7 CCNc1ncc(s1)C ae46aabc9922e91eb11f8310a472106e [1,1,0,0,0,0|1,0,0]=3 468 B9R1.7 CCNc1ncc(s1)Cl 9b12112ab837bbc4b3edbbf25246a50c [1,1,0,0,0,0|1,0,0]=3 469 B9R1.7 CCNc1ncc(s1)F 987c164e961792f37a0fbd35affaae6a [1,1,0,0,0,0|1,0,0]=3 470 B9R1.7 CCNc1nnc(s1)Br 82632646a360c6896c2232072d8d6ab2 [1,1,0,0,0,0|2,0,0]=4 471 B9R1.7 CCNc1nnc(s1)C c9f9fb725da693aab8eddb8feb0b8d42 [1,1,0,0,0,0|2,0,0]=4 472 B9R1.7 CCNc1nnc(s1)Cl 9cdc952e190de7ed4486afc7d53d5cc2 [1,1,0,0,0,0|2,0,0]=4 473 B9R1.7 CCNc1nnc(s1)S 3235b3dec6df5c902f4790b41004e38c [1,1,0,0,0,0|2,0,0]=4 474 B9R1.7 CCOc1cc(cs1)C f83ac452101022897e1afe49252bc0a6 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.7 CCOc1ccc(s1)Br c97db172da234b04bd274e0b7ba7aac7 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.7 CCOc1nc(cs1)Br 19375ace2681edf7adada6b7ef015e97 [1,1,0,0,0,0|1,0,0]=3 477 B9R1.7 CCOc1nnc(s1)C ce729d6545307cb4d298355d3ed2ef4a [1,1,0,0,0,0|2,0,0]=4 478 B9R1.7 Cc1cnc(s1)NCF 2f030d3d8b66234a8b19c2c6b87c6649 [1,1,0,0,0,0|2,0,0]=4 479 B9R1.7 Cc1cnc(s1)NCO b7fdb9bbd75724cde40c4c0f439de7e1 [1,1,0,0,0,0|2,0,0]=4 480 B9R1.7 Cc1csc(n1)NCF 23e76ce5ab61abd00c1d11056542d85d [1,1,0,0,0,0|2,0,0]=4 481 B9R1.7 Cc1csc(n1)NCO fbd4147082d1d48ebce5e0701647b9b9 [1,1,0,0,0,0|2,0,0]=4 482 B9R1.7 FCNc1nc(cs1)Br 6d777f4715e8270ffacdbc6111786b82 [1,1,0,0,0,0|2,0,0]=4 483 B9R1.7 FCNc1nc(cs1)Cl 9e29fa14a297de206e763201b2e1043d [1,1,0,0,0,0|2,0,0]=4 484 B9R1.7 FCNc1ncc(s1)Br f66532fe1cfcf4e23563a7b78d98d533 [1,1,0,0,0,0|2,0,0]=4 485 B9R1.7 FCNc1ncc(s1)Cl 31817ee53d62203ef7f1c80576bd2e75 [1,1,0,0,0,0|2,0,0]=4 486 B9R1.7 FCNc1ncc(s1)F 9ca50f2bafe8898e776c7cad4144d9f0 [1,1,0,0,0,0|2,0,0]=4 487 B9R1.7 FCOc1nc(cs1)Br 24dfc5eed7e17c38bc1017b52b330fe7 [1,1,0,0,0,0|2,0,0]=4 488 B9R1.7 OCNc1nc(cs1)Br aafbbf31c0deace9b23e3f0ab521810f [1,1,0,0,0,0|2,0,0]=4 489 B9R1.7 OCNc1nc(cs1)Cl ff83e2b308dfbc17ad73efbc0ec12c00 [1,1,0,0,0,0|2,0,0]=4 490 B9R1.7 OCNc1ncc(s1)Br 2872b647a934703fb5a9102922050a89 [1,1,0,0,0,0|2,0,0]=4 491 B9R1.7 OCNc1ncc(s1)Cl d5b0c5622e4b93d34c34fad47aaaa59a [1,1,0,0,0,0|2,0,0]=4 492 B9R1.7 OCNc1ncc(s1)F f4f464673f7796430e2b471eed9156e2 [1,1,0,0,0,0|2,0,0]=4 493 B9R1.12 BrCCNc1cccs1 c09b0f0dcebf0fcb791d9c0fae97e4ed [1,1,0,0,0,0|2,0,0]=4 494 B9R1.12 BrCCNc1ncco1 f10d61cafefa6d09112d0af6ba2627e7 [1,1,0,0,0,0|1,1,0]=4 495 B9R1.12 BrCCNc1nccs1 2d226f1c46138f8d3dbf20330858038a [1,1,0,0,0,0|1,0,0]=3 496 B9R1.12 BrCCNc1ncns1 2466318a0d32e1d99d4905e7f1d63117 [1,1,0,0,0,0|2,0,0]=4 497 B9R1.12 C#CCNc1nccs1 dab17b6659ce4c61e4fd003cfc22ceca [1,1,0,0,0,0|0,0,2]=4 498 B9R1.12 C#CCOc1nccs1 2500b176703c4ca3e1d5549ada8c2176 [1,1,0,0,0,0|0,0,2]=4 499 B9R1.12 C=CCNc1nccs1 3f63e298dcc8bcadd4a9a6018389fe73 [1,1,0,0,0,0|0,0,2]=4 500 B9R1.12 C=CCOc1nccs1 686b5f36367c1a5b92c6131a339db455 [1,1,0,0,0,0|0,0,2]=4 501 B9R1.12 CCCNc1c[nH]cn1 6b63b2271006eeda903e175a88c0546a [1,1,0,0,0,0|2,0,0]=4 502 B9R1.12 CCCNc1cc[nH]n1 970996a901dc2871e25e1b3f58bb1ae9 [1,1,0,0,0,0|2,0,0]=4 503 B9R1.12 CCCNc1cccs1 dddbeb0cebfad93e2ee450a927f1f846 [1,1,0,0,0,0|1,0,0]=3 504 B9R1.12 CCCNc1ccns1 4c2c426bd7131ff8d2911cd5cad3e478 [1,1,0,0,0,0|2,0,0]=4 505 B9R1.12 CCCNc1ccon1 67d2486210e5c6b1db57939f48d96b10 [1,1,0,0,0,0|2,0,0]=4 506 B9R1.12 CCCNc1cncs1 d9981c3c4bf58afdd44af083430ae37f [1,1,0,0,0,0|2,0,0]=4 507 B9R1.12 CCCNc1cocn1 ba2d440733fea026f6967dab40049325 [1,1,0,0,0,0|2,0,0]=4 508 B9R1.12 CCCNc1cscn1 fae4b904f23fb93e2e56928f5d9cc6d4 [1,1,0,0,0,0|2,0,0]=4 509 B9R1.12 CCCNc1nc[nH]n1 a05db38bda05abd7d77b6919370c980d [1,1,0,0,0,0|2,0,0]=4 510 B9R1.12 CCCNc1ncc[nH]1 8f0b11e739cdbcc3c6e78e115ed494fe [1,1,0,0,0,0|1,0,0]=3 511 B9R1.12 CCCNc1ncco1 d0c0e653694791440ac2f0d78edc0e34 [1,1,0,0,0,0|0,1,0]=3 512 B9R1.12 CCCNc1nccs1 26bd7c90c10f9395c78eb9fc2d80649e [1,1,0,0,0,0|0,0,0]=2 513 B9R1.12 CCCNc1ncns1 7c85dffbf3defc91487d1ad2be11f832 [1,1,0,0,0,0|1,0,0]=3 514 B9R1.12 CCCNc1ncon1 ec08e6ea9c0b90a88f63e4c985d8b5a7 [1,1,0,0,0,0|2,0,0]=4 515 B9R1.12 CCCNc1nnco1 532ce1f06de3f33d65f358440d1dd157 [1,1,0,0,0,0|1,1,0]=4 516 B9R1.12 CCCNc1nncs1 6e3185c90a121f6bd5b1de1a33da093b [1,1,0,0,0,0|1,0,0]=3 517 B9R1.12 CCCNc1nnns1 b3187a37ceb477458220dabff2a7fac7 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.12 CCCOc1c[nH]cn1 45a2af4246e68dfa1ee3afde5dc82ddf [1,1,0,0,0,0|2,0,0]=4 519 B9R1.12 CCCOc1ccco1 892ad9a1c4eda1b2e579e57ab16386c6 [1,1,0,0,0,0|1,1,0]=4 520 B9R1.12 CCCOc1cccs1 08634ab81341ae1b1178430949f9ac0f [1,1,0,0,0,0|1,0,0]=3 521 B9R1.12 CCCOc1nccs1 5f60e0b45753d03ef3faa171be938859 [1,1,0,0,0,0|0,0,0]=2 522 B9R1.12 CCCOc1nncs1 0701431acd24640060df3cdf521cfd84 [1,1,0,0,0,0|1,0,0]=3 523 B9R1.12 CCCOn1cccn1 2e48792a1b51d3b1159f5dd703032bb5 [1,1,0,0,0,0|2,0,0]=4 524 B9R1.12 CCNCc1ccc[nH]1 d148947c496d04ba3fda3d28b4738aad [1,1,0,0,0,0|1,0,1]=4 525 B9R1.12 CCNCc1ccco1 4817cc97570de733e3d59f88500c3b37 [1,1,0,0,0,0|1,1,0]=4 526 B9R1.12 CCNCc1cccs1 4bb993aa1ef7b62c5d2b7781bf586f7d [1,1,0,0,0,0|1,0,0]=3 527 B9R1.12 CCNCc1ccns1 53d19f3606d2c7046c29db26540fcc72 [1,1,0,0,0,0|2,0,0]=4 528 B9R1.12 CCNCc1ccon1 76008202c967d53995dbdd46c4b0b05b [1,1,0,0,0,0|2,0,0]=4 529 B9R1.12 CCNCc1ccsn1 c640c32a57f58f85269acc4cf13e08dd [1,1,0,0,0,0|2,0,0]=4 530 B9R1.12 CCNCc1cncs1 766ca9698d87ebdd1f3395f38204ee85 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.12 CCNCc1cocn1 ee5152002bd65a9d43431c8076f0a4d3 [1,1,0,0,0,0|2,0,0]=4 532 B9R1.12 CCNCc1cscn1 6ac8fdacb085e4e7af5e2a744e0781a5 [1,1,0,0,0,0|2,0,0]=4 533 B9R1.12 CCNCc1ncc[nH]1 80bb75fd4db514b30cbb9decd5220667 [1,1,0,0,0,0|1,0,0]=3 534 B9R1.12 CCNCc1ncco1 d59ea2eedd26cb1a330141171d90cbfb [1,1,0,0,0,0|0,1,0]=3 535 B9R1.12 CCNCc1nccs1 526a03e98732df2789dd97318edaafd6 [1,1,0,0,0,0|0,0,0]=2 536 B9R1.12 CCNCc1ncn[nH]1 b335f3ba2afcf82469ddf7327b6d1f7d [1,1,0,0,0,0|2,0,0]=4 537 B9R1.12 CCOCc1ccc[nH]1 0b5c52ca398d6e6823ab9d1f4fb92621 [1,1,0,0,0,0|1,0,1]=4 538 B9R1.12 CCOCc1ccco1 e774f039f2ee21ec2e9d047bdeb979aa [1,1,0,0,0,0|1,1,0]=4 539 B9R1.12 CCOCc1cccs1 8766881c6db57c6784fc6c93385667d4 [1,1,0,0,0,0|1,0,0]=3 540 B9R1.12 CCOCc1ccns1 01d522fece72fce5cf6b304cfc953d98 [1,1,0,0,0,0|2,0,0]=4 541 B9R1.12 CCOCc1ccon1 c3dd8303abc344854e3a20eb862deac2 [1,1,0,0,0,0|2,0,0]=4 542 B9R1.12 CCOCc1ccsn1 85325b8df299b4348765c5ae4f3bbc2a [1,1,0,0,0,0|2,0,0]=4 543 B9R1.12 CCOCc1cncs1 8515774c41cb1b7c89894f4d4fd2f475 [1,1,0,0,0,0|2,0,0]=4 544 B9R1.12 CCOCc1cocn1 8d5c6b8af6fe755487d9214435b13700 [1,1,0,0,0,0|2,0,0]=4 545 B9R1.12 CCOCc1cscn1 77c64af51f4fa6cafcbef73604cf106e [1,1,0,0,0,0|2,0,0]=4 546 B9R1.12 CCOCc1nc[nH]n1 9ede0ba88d79ba550deb831f3aae6ecd [1,1,0,0,0,0|2,0,0]=4 547 B9R1.12 CCOCc1ncc[nH]1 cf0678147462fc427b9541c5f3d75f6c [1,1,0,0,0,0|1,0,0]=3 548 B9R1.12 CCOCc1ncco1 7b912d50833e4919d9e0630ebdd06bd0 [1,1,0,0,0,0|0,1,0]=3 549 B9R1.12 CCOCc1nccs1 42a4ef0c68f9f4ccf7685ffa2d58e68a [1,1,0,0,0,0|0,0,0]=2 550 B9R1.12 CCOCc1ncno1 8d655f7a5ef9265f987e9df722e5651d [1,1,0,0,0,0|1,1,0]=4 551 B9R1.12 CCOCc1ncns1 73fd7421b1e92604c102e0f80b9de9a1 [1,1,0,0,0,0|1,0,0]=3 552 B9R1.12 CCOCc1ncon1 e73abcd50a0342363fe6efe9b021bdb4 [1,1,0,0,0,0|2,0,0]=4 553 B9R1.12 CCOCc1nnco1 3cbc316232cad985ae2ba8645ef2d50e [1,1,0,0,0,0|1,1,0]=4 554 B9R1.12 CCOCn1cccn1 75e33447e70b4a19050f65c31ed6077f [1,1,0,0,0,0|2,0,0]=4 555 B9R1.12 COCNc1cccs1 a445fc20137d5de04e37049f9b7acf2c [1,1,0,0,0,0|2,0,0]=4 556 B9R1.12 COCNc1ncc[nH]1 40f6f94346f0489624dbd120791daf0f [1,1,0,0,0,0|2,0,0]=4 557 B9R1.12 COCNc1ncco1 ef48d84ae70ad4ac2e098cff7a885ffc [1,1,0,0,0,0|1,1,0]=4 558 B9R1.12 COCNc1nccs1 a9a82eb2fef3eceb9545f8e4c6ef3225 [1,1,0,0,0,0|1,0,0]=3 559 B9R1.12 COCNc1ncns1 465b277a40ccf15c5c80dcb19b12e9b1 [1,1,0,0,0,0|2,0,0]=4 560 B9R1.12 COCNc1nncs1 ac875f194f77fff7ee6d9d08eecef1fa [1,1,0,0,0,0|2,0,0]=4 561 B9R1.12 COCOc1cccs1 f7e2b3cd366d3a572662b6a110d9cdff [1,1,0,0,0,0|2,0,0]=4 562 B9R1.12 COCOc1nccs1 c88505ed52fd613977542dc936050055 [1,1,0,0,0,0|1,0,0]=3 563 B9R1.12 COCOc1nncs1 9eb85fc88a710f76b7d2f0e96c8999f6 [1,1,0,0,0,0|2,0,0]=4 564 B9R1.12 CSCNc1cccs1 9666dae99bc2c28068bd9eb8da246d16 [1,1,0,0,0,0|2,0,0]=4 565 B9R1.12 CSCNc1ncc[nH]1 e4975d99979905df593178a7ad0e0f5f [1,1,0,0,0,0|2,0,0]=4 566 B9R1.12 CSCNc1ncco1 44b6ee33c95609b66c0a28f57bbe3cb5 [1,1,0,0,0,0|1,1,0]=4 567 B9R1.12 CSCNc1nccs1 f7f95253927fbf72e500dc3bd3ffda68 [1,1,0,0,0,0|1,0,0]=3 568 B9R1.12 CSCNc1nncs1 651a48ac54938b758938dad1d44d27cc [1,1,0,0,0,0|2,0,0]=4 569 B9R1.12 CSCOc1cccs1 bce12fac0c68c414ccd2f558ed87d259 [1,1,0,0,0,0|2,0,0]=4 570 B9R1.12 CSCOc1nccs1 c14501a9c816ea2a12ae33f26fb07968 [1,1,0,0,0,0|1,0,0]=3 571 B9R1.12 CSCOc1nncs1 96fec17f1840cc1a239225ffd68dda19 [1,1,0,0,0,0|2,0,0]=4 572 B9R1.12 FCCNc1cccs1 72d30de6f7107428d208ec2105512673 [1,1,0,0,0,0|2,0,0]=4 573 B9R1.12 FCCNc1ncc[nH]1 ac54802ffdf346efface17ca0517dfed [1,1,0,0,0,0|2,0,0]=4 574 B9R1.12 FCCNc1ncco1 47b5c44d7c9c24ca570ff921d61c2e16 [1,1,0,0,0,0|1,1,0]=4 575 B9R1.12 FCCNc1nccs1 120c56a1448bd074a27780dde08884e5 [1,1,0,0,0,0|1,0,0]=3 576 B9R1.12 FCCNc1ncns1 605e81bb315a044636b41fb84a5731f8 [1,1,0,0,0,0|2,0,0]=4 577 B9R1.12 FCCNc1nncs1 a9fa33e3d7ab1c51424e0659dd15b11c [1,1,0,0,0,0|2,0,0]=4 578 B9R1.12 FCCOc1cccs1 4d4e0d32e310d3d0cee0221bc94ba774 [1,1,0,0,0,0|2,0,0]=4 579 B9R1.12 FCCOc1nccs1 c6dbda5940e58a96a5e2bdbdddca8160 [1,1,0,0,0,0|1,0,0]=3 580 B9R1.12 FCCOc1nncs1 f5772a13a470dc1ffccb61452dcf7459 [1,1,0,0,0,0|2,0,0]=4 581 B9R1.12 FCNCc1cccs1 1969e67372fdc757bbfda3428419fdb3 [1,1,0,0,0,0|2,0,0]=4 582 B9R1.12 FCNCc1ncc[nH]1 6689b6a01fc579b929605c33ea1295e4 [1,1,0,0,0,0|2,0,0]=4 583 B9R1.12 FCNCc1ncco1 c982d0b49f405e63c027b9bb6d5577c4 [1,1,0,0,0,0|1,1,0]=4 584 B9R1.12 FCNCc1nccs1 5615475f6c7eb30ffbc57692f2b993b8 [1,1,0,0,0,0|1,0,0]=3 585 B9R1.12 FCOCc1cccs1 d20aa0b5d32f374e73f69643d763b140 [1,1,0,0,0,0|2,0,0]=4 586 B9R1.12 FCOCc1ncc[nH]1 3bad8b7d5aa7146c2adf3bbebdfd1e35 [1,1,0,0,0,0|2,0,0]=4 587 B9R1.12 FCOCc1ncco1 fdb0645c6d8826990df411edb2fa5eb8 [1,1,0,0,0,0|1,1,0]=4 588 B9R1.12 FCOCc1nccs1 7e836ee678b970cddee8ad1814905381 [1,1,0,0,0,0|1,0,0]=3 589 B9R1.12 FCOCc1ncns1 65059d245be7cdd26386e7f44c0c70f8 [1,1,0,0,0,0|2,0,0]=4 590 B9R1.12 ICCNc1cccs1 8499be8b0e3a22886e79ca6d717dc693 [1,1,0,0,0,0|2,0,0]=4 591 B9R1.12 ICCNc1nccs1 638c6ceb33611f15ab726c24ee3635ff [1,1,0,0,0,0|1,0,0]=3 592 B9R1.12 N#CCNc1nccs1 a59b5896b7c21ed92ef8b72ad217a546 [1,1,0,0,0,0|1,0,1]=4 593 B9R1.12 N#CCOc1nccs1 86370f9016b3d1cddcc6b6ba4caae683 [1,1,0,0,0,0|1,0,1]=4 594 B9R1.12 N#CNCc1nccs1 97b206409b0e98f3aa3c86f49c60b95f [1,1,0,0,0,0|1,0,1]=4 595 B9R1.12 O=CCNc1nccs1 c96160d5367c01c3981c8d9d23e2d0ad [1,1,0,0,0,0|1,0,1]=4 596 B9R1.12 O=CCOc1nccs1 d224a78e24c64b41df9324845be0ebf6 [1,1,0,0,0,0|1,0,1]=4 597 B9R1.12 O=CNCc1nccs1 d021f154403f9d3ac1cd2b03fa215329 [1,1,0,0,0,0|1,0,1]=4 598 B9R1.12 OCCNc1cccs1 2ba78ef34c75ea3069c9d7a18a33b4b5 [1,1,0,0,0,0|2,0,0]=4 599 B9R1.12 OCCNc1ncc[nH]1 81d2b61694a5dd6334d1b7b8278fae51 [1,1,0,0,0,0|2,0,0]=4 600 B9R1.12 OCCNc1ncco1 27672c213574093b88099a3cc5e6e3a7 [1,1,0,0,0,0|1,1,0]=4 601 B9R1.12 OCCNc1nccs1 97ef5b568316a3301eb9dffbc2fa937a [1,1,0,0,0,0|1,0,0]=3 602 B9R1.12 OCCNc1ncns1 4f1785a0888137c7db46610fc38ec0e4 [1,1,0,0,0,0|2,0,0]=4 603 B9R1.12 OCCNc1nncs1 a718e41c726d100809d68e07b7eda617 [1,1,0,0,0,0|2,0,0]=4 604 B9R1.12 OCNCc1cccs1 2d672a9efcaba2b89f20e3b8a4fffaa8 [1,1,0,0,0,0|2,0,0]=4 605 B9R1.12 OCNCc1ncc[nH]1 55bad8fd5c892932b74f834aa70660c2 [1,1,0,0,0,0|2,0,0]=4 606 B9R1.12 OCNCc1ncco1 6863cdccabe755ed920c5ddc5155c6b9 [1,1,0,0,0,0|1,1,0]=4 607 B9R1.12 OCNCc1nccs1 11e087dc3a42e81fae34a358a44fd79d [1,1,0,0,0,0|1,0,0]=3 608 B9R1.12 SCCNc1cccs1 8a17ff5b35bec33fda4ea52f977bd5ac [1,1,0,0,0,0|2,0,0]=4 609 B9R1.12 SCCNc1ncc[nH]1 74ef4cadc5abb2bd639853125c133ea9 [1,1,0,0,0,0|2,0,0]=4 610 B9R1.12 SCCNc1ncco1 1229403417eadb8e714b272bcc417e39 [1,1,0,0,0,0|1,1,0]=4 611 B9R1.12 SCCNc1nccs1 e076cf8c1bacf8ab97c5133e1a44b775 [1,1,0,0,0,0|1,0,0]=3 612 B9R1.12 SCCNc1ncns1 405a32ac6cc0a5a371daad627fdb561d [1,1,0,0,0,0|2,0,0]=4 613 B9R1.12 SCCNc1nncs1 90715abc84f8499af1a395659889a5c4 [1,1,0,0,0,0|2,0,0]=4 614 B9R1.12 SCCOc1cccs1 76d2470c19021421703a4592f24d10d6 [1,1,0,0,0,0|2,0,0]=4 615 B9R1.12 SCCOc1nccs1 b58eec8e8d0b6831123e81914019c24f [1,1,0,0,0,0|1,0,0]=3 616 B9R1.12 SCCOc1nncs1 3b537034d03ab87f7550415bc5f344a5 [1,1,0,0,0,0|2,0,0]=4 617 B9R1.13 CC(=O)Nc1nccs1 77a8d229d5e2ebce94e2316ec872dfb6 [1,1,0,0,0,0|1,0,1]=4 618 B9R1.13 CC(C)Nc1ncc[nH]1 8d05845695c8fb7502c2af4756268830 [1,1,0,0,0,0|2,0,0]=4 619 B9R1.13 CC(C)Nc1ncco1 fcd0fac8f92d9b0f4549470280738971 [1,1,0,0,0,0|1,1,0]=4 620 B9R1.13 CC(C)Nc1nccs1 a7ef9a363e91d5ff572edca29e81d493 [1,1,0,0,0,0|1,0,0]=3 621 B9R1.13 CC(C)Nc1ncns1 9da3ae4dd3dfc18a9fb390dcfc3ea496 [1,1,0,0,0,0|2,0,0]=4 622 B9R1.13 CC(C)Nc1nncs1 f3607a1b97a69a72d891bb767eb26076 [1,1,0,0,0,0|2,0,0]=4 623 B9R1.13 CC(C)Oc1cccs1 21794e900987f3d432b829048842efca [1,1,0,0,0,0|2,0,0]=4 624 B9R1.13 CC(C)Oc1nccs1 6b7fdf51a80ea2ae8353cabc54ee22f1 [1,1,0,0,0,0|1,0,0]=3 625 B9R1.13 CC(C)Oc1nncs1 5dd301398ca8ba4a5a46998ed07cdebf [1,1,0,0,0,0|2,0,0]=4 626 B9R1.33 CCNc1nccn1C 160560ef4202125b48625bf6571b6c6e [1,1,0,0,0,0|2,0,0]=4 627 B11R1.12 CCN(CC)c1cccnc1 52601769ca231e644678fff005cbe4b5 [0,1,0,0,0,1|2,0,0]=4 628 B11R1.12 CCN(CC)c1cnccn1 534f5614ab93b4a72aa583f5a89a8e6d [0,1,0,0,0,1|2,0,0]=4 629 B11R1.12 CCN(CC)c1ncccn1 0d79d18d0a97b34228967b6e112c11bc [0,1,0,0,0,1|2,0,0]=4 630 B11R1.12 CCN(CC)c1nccnn1 a6be7bb815ec22cca922abef1bd36c7f [0,1,0,0,0,1|2,0,0]=4 631 B11R1.12 CCN(CF)c1cccnc1 0312fe3f0e237cbe2838982475b5dabc [0,1,0,0,0,1|2,0,0]=4 632 B11R1.12 CCN(CF)c1ncccn1 c7168155ce3d7210c3e0d41c6b6a27f1 [0,1,0,0,0,1|2,0,0]=4 633 B11R1.12 CCN(CF)c1nccnn1 c6c496c4ae1f5d8ca05b8578200dd765 [0,1,0,0,0,1|2,0,0]=4 634 B11R1.12 CCN(CO)c1cccnc1 f2903e21d817aefbbc8f3b43452e9503 [0,1,0,0,0,1|2,0,0]=4 635 B11R1.12 CCN(CO)c1cnccn1 94eb593a52e2be02f0653b4bfe0a37dd [0,1,0,0,0,1|2,0,0]=4 636 B11R1.12 CCN(CO)c1ncccn1 7fc3343d1c5a1996ccd5e2bad3e82164 [0,1,0,0,0,1|2,0,0]=4 637 B11R1.12 CCN(CO)c1nccnn1 2a333c555a3380dcf8b27d027aa3f2c1 [0,1,0,0,0,1|2,0,0]=4 638 B11R1.16 CC(NCF)c1ccccn1 0905269fa9a0af5b89b0863135e0ba86 [0,1,0,0,0,1|2,0,0]=4 639 B11R1.16 CC(NCF)c1cccnc1 06f634f0617dadb8cf037734a8a97de2 [0,1,0,0,0,1|2,0,0]=4 640 B11R1.16 CC(NCF)c1cccnn1 7e30e545e3f71f315947713193d28c00 [0,1,0,0,0,1|2,0,0]=4 641 B11R1.16 CC(NCF)c1ccncn1 2b6efc8c9e99fb99e4141e7af05e3c65 [0,1,0,0,0,1|2,0,0]=4 642 B11R1.16 CC(NCF)c1cnccn1 98fa7db5c4884fbbbdf1607e1137c7e9 [0,1,0,0,0,1|2,0,0]=4 643 B11R1.16 CC(NCF)c1ncccn1 a8ef8cc11827c1c234dc0dbaebe73977 [0,1,0,0,0,1|2,0,0]=4 644 B11R1.16 CC(NCO)c1ccccn1 92e2d7a3e5eb4a0cf656a3abd8120ca1 [0,1,0,0,0,1|2,0,0]=4 645 B11R1.16 CC(NCO)c1cccnc1 862c30acc11398ef9d9eed839c208db8 [0,1,0,0,0,1|2,0,0]=4 646 B11R1.16 CC(NCO)c1cccnn1 cdc5021fcca39b3957422f2e8bcf1270 [0,1,0,0,0,1|2,0,0]=4 647 B11R1.16 CC(NCO)c1ccncn1 cb7e7ea8a01294c466ca538217d18891 [0,1,0,0,0,1|2,0,0]=4 648 B11R1.16 CC(NCO)c1cnccn1 dd375ba3f51181f3178a09958c46ca97 [0,1,0,0,0,1|2,0,0]=4 649 B11R1.16 CC(NCO)c1ncccn1 3265212dd8f0014d8897c4c2333ba145 [0,1,0,0,0,1|2,0,0]=4 650 B11R1.16 CC(OCF)c1ccccn1 2375003933f3ce846737f38420e767b3 [0,1,0,0,0,1|2,0,0]=4 651 B11R1.16 CC(OCF)c1cccnc1 38385d8a804ea3beb03ef81ac1897631 [0,1,0,0,0,1|2,0,0]=4 652 B11R1.16 CC(OCF)c1cccnn1 64ac9fb3bf5386ac880364342f37e543 [0,1,0,0,0,1|2,0,0]=4 653 B11R1.16 CC(OCF)c1cnccn1 edaa78b62734f3603bd18d85f98d58c9 [0,1,0,0,0,1|2,0,0]=4 654 B11R1.16 CC(OCF)c1ncccn1 3be8fce151d8c4aa29e24030e3bad42d [0,1,0,0,0,1|2,0,0]=4 655 B11R1.16 CCCN(C)c1ccccn1 8ff1db8620efe8553f2af13d547cf9e1 [0,1,0,0,0,1|2,0,0]=4 656 B11R1.16 CCCN(C)c1cccnc1 28cb54c9c808eaf7ba52852976110e8a [0,1,0,0,0,1|2,0,0]=4 657 B11R1.16 CCCN(C)c1ccncn1 bd7fe4185816fe05bec7bd92de86498a [0,1,0,0,0,1|2,0,0]=4 658 B11R1.16 CCCN(C)c1cnccn1 7515a4a7db1f95bb8312ff50e22bcdd1 [0,1,0,0,0,1|2,0,0]=4 659 B11R1.16 CCCN(C)c1ncccn1 0ce0ace55fb174ccdc6819afe0f51fcd [0,1,0,0,0,1|2,0,0]=4 660 B11R1.16 CCCN(C)c1nccnn1 552b16f9e53ac8a67f4ebec7fdd12090 [0,1,0,0,0,1|2,0,0]=4 661 B11R1.16 CCNC(C)c1ccccc1 af03e39d181c5fd668bda5d6f7d06e14 [0,1,0,0,0,1|2,0,0]=4 662 B11R1.16 CCNC(C)c1ccccn1 1349d82fdb3aca31d54d33a892f4429f [0,1,0,0,0,1|1,0,0]=3 663 B11R1.16 CCNC(C)c1cccnc1 c47433cc5cae1ddbdb53f6ca3e6bfaaf [0,1,0,0,0,1|1,0,0]=3 664 B11R1.16 CCNC(C)c1cccnn1 efc02f97da2becc35b8d266864811e35 [0,1,0,0,0,1|1,0,0]=3 665 B11R1.16 CCNC(C)c1ccncc1 4381b6d20643b9397cf1c3275f14ef7f [0,1,0,0,0,1|2,0,0]=4 666 B11R1.16 CCNC(C)c1ccncn1 22930201dd5caefefa3309491753d9e9 [0,1,0,0,0,1|1,0,0]=3 667 B11R1.16 CCNC(C)c1ccnnc1 0713f69abf6a393210781cec459513ed [0,1,0,0,0,1|2,0,0]=4 668 B11R1.16 CCNC(C)c1cnccn1 3027041055109ccfc9487eb2dd1789f2 [0,1,0,0,0,1|1,0,0]=3 669 B11R1.16 CCNC(C)c1cncnc1 ab3fa3d22d74a84898be02b87f8fd66a [0,1,0,0,0,1|2,0,0]=4 670 B11R1.16 CCNC(C)c1ncccn1 112a21bda09e683bb3edc0c3fc56d505 [0,1,0,0,0,1|1,0,0]=3 671 B11R1.16 CCN[C@@H](C)c1ccccc1 994b5b0b50363ecab1efd5b7f9e6d7cd [0,1,0,0,0,1|2,0,0]=4 672 B11R1.16 CCN[C@@H](C)c1ccccn1 6becaa5dd299afbde8d9e40b8df2b64b [0,1,0,0,0,1|1,0,0]=3 673 B11R1.16 CCN[C@@H](C)c1cccnc1 330151f91eef2953e097f24cd8fe5255 [0,1,0,0,0,1|1,0,0]=3 674 B11R1.16 CCN[C@@H](C)c1ccncc1 00312d91ebda62098fbd65a2d65ba17c [0,1,0,0,0,1|2,0,0]=4 675 B11R1.16 CCN[C@@H](C)c1cncnc1 a5c49eac43efe2289be51d06c11c7575 [0,1,0,0,0,1|2,0,0]=4 676 B11R1.16 CCN[C@H](C)c1ccccc1 af432512ad94856da6ef9d44592c3502 [0,1,0,0,0,1|2,0,0]=4 677 B11R1.16 CCN[C@H](C)c1ccccn1 de5b9d337b6c15bb985fd6d76426b016 [0,1,0,0,0,1|1,0,0]=3 678 B11R1.16 CCN[C@H](C)c1cccnc1 7cb1b35ff9549b4a705f07ae86659632 [0,1,0,0,0,1|1,0,0]=3 679 B11R1.16 CCN[C@H](C)c1ccncc1 d9dd8baf03e60276588d8bf323f0d599 [0,1,0,0,0,1|2,0,0]=4 680 B11R1.16 CCN[C@H](C)c1cncnc1 186d78fcf30dda4d736d86a57c2d1693 [0,1,0,0,0,1|2,0,0]=4 681 B11R1.16 CCOC(C)c1ccccc1 37108e833ff536d25c550cb5b37c873d [0,1,0,0,0,1|2,0,0]=4 682 B11R1.16 CCOC(C)c1ccccn1 2349fef21e807c42cd2b612eadfb89fd [0,1,0,0,0,1|1,0,0]=3 683 B11R1.16 CCOC(C)c1cccnc1 9c9e8ee26a948f6734fe8bca4ac259d1 [0,1,0,0,0,1|1,0,0]=3 684 B11R1.16 CCOC(C)c1cccnn1 b45ba464b06ee6bdc1c736a50ffd8553 [0,1,0,0,0,1|1,0,0]=3 685 B11R1.16 CCOC(C)c1ccncc1 e4e418e4b9933d9ffab69561c2ee0b8d [0,1,0,0,0,1|2,0,0]=4 686 B11R1.16 CCOC(C)c1cnccn1 c43729a6fd74b4ab221ba3a8754f47ca [0,1,0,0,0,1|1,0,0]=3 687 B11R1.16 CCOC(C)c1ncccn1 1fedda22cfecf8948662f3eef3f690f9 [0,1,0,0,0,1|1,0,0]=3 688 B11R1.16 CCO[C@@H](C)c1ccccc1 e4f11a13dd3f609e6f25ac3a3b969fe2 [0,1,0,0,0,1|2,0,0]=4 689 B11R1.16 CCO[C@@H](C)c1ccccn1 d31d85c16530817c2b81fb1a03fe7e57 [0,1,0,0,0,1|1,0,0]=3 690 B11R1.16 CCO[C@@H](C)c1cccnc1 4f79e80bc80f924c1d9263e4c7a80e48 [0,1,0,0,0,1|1,0,0]=3 691 B11R1.16 CCO[C@@H](C)c1ccncc1 10c7e45b7f2432aed0d2d85f0e9de43f [0,1,0,0,0,1|2,0,0]=4 692 B11R1.16 CCO[C@@H](C)c1ccncn1 ecda7948a20662ef60b97d1988299e8d [0,1,0,0,0,1|1,0,0]=3 693 B11R1.16 CCO[C@@H](C)c1cnccn1 8a6e3a914bc27167363a585a0aa27251 [0,1,0,0,0,1|1,0,0]=3 694 B11R1.16 CCO[C@@H](C)c1ncccn1 4240750fe2b64fee8772620e302ddfbe [0,1,0,0,0,1|1,0,0]=3 695 B11R1.16 CCO[C@H](C)c1ccccc1 54694971b3853f962e687b61e7c698c1 [0,1,0,0,0,1|2,0,0]=4 696 B11R1.16 CCO[C@H](C)c1ccccn1 c768b24f1cd72ff8137851b753ae2d04 [0,1,0,0,0,1|1,0,0]=3 697 B11R1.16 CCO[C@H](C)c1cccnc1 cd637b20fb4bf525c6de41c7953f4069 [0,1,0,0,0,1|1,0,0]=3 698 B11R1.16 CCO[C@H](C)c1cccnn1 5e113335bfa1da5c764374cee09167f3 [0,1,0,0,0,1|1,0,0]=3 699 B11R1.16 CCO[C@H](C)c1ccncc1 be826d73c7c9b4a2a044295b6bfe0a2c [0,1,0,0,0,1|2,0,0]=4 700 B11R1.16 CCO[C@H](C)c1cnccn1 5d3b5896b879729f1ffbe4449af13432 [0,1,0,0,0,1|1,0,0]=3 701 B11R1.16 CCO[C@H](C)c1ncccn1 f16129f9fc3238ad0c96779a2995a1df [0,1,0,0,0,1|1,0,0]=3 702 B11R1.16 CN(CCF)c1cccnc1 0c417327f73403e17ed488303ca6b0c4 [0,1,0,0,0,1|2,0,0]=4 703 B11R1.16 CN(CCF)c1ccncn1 331ebf76f42c96dd86b1c145e60f912a [0,1,0,0,0,1|2,0,0]=4 704 B11R1.16 CN(CCF)c1cnccn1 15a039d9d714db4512792a8b200b4dff [0,1,0,0,0,1|2,0,0]=4 705 B11R1.16 CN(CCF)c1ncccn1 465099ebf918cfd73a0a8c6217825bca [0,1,0,0,0,1|2,0,0]=4 706 B11R1.16 CN(CCF)c1nccnn1 8656614548b5621cb5a908eee1cfbb00 [0,1,0,0,0,1|2,0,0]=4 707 B11R1.16 CN(CCO)c1ccccn1 e37523a54a1bd0bac80e99fe2cbc8f05 [0,1,0,0,0,1|2,0,0]=4 708 B11R1.16 CN(CCO)c1cccnc1 47cb1f96fe61f8c7bd838cc6c9d317ed [0,1,0,0,0,1|2,0,0]=4 709 B11R1.16 CN(CCO)c1cccnn1 ff925a4f711f21db744f06b623129ba0 [0,1,0,0,0,1|2,0,0]=4 710 B11R1.16 CN(CCO)c1ccncn1 76355a248654fcdc6fabf8015a5b4720 [0,1,0,0,0,1|2,0,0]=4 711 B11R1.16 CN(CCO)c1cnccn1 bdad212bbcc3afe5eea664c568345e02 [0,1,0,0,0,1|2,0,0]=4 712 B11R1.16 CN(CCO)c1ncccn1 5d139c41b2a348318ba0b979ddce26b7 [0,1,0,0,0,1|2,0,0]=4 713 B11R1.16 CN(CCO)c1nccnn1 7675091b8971bd54ac25295670a68d09 [0,1,0,0,0,1|2,0,0]=4 714 B11R1.16 CN(CCS)c1ccccn1 de84abbd40dd1eead0c63b1f2ba48791 [0,1,0,0,0,1|2,0,0]=4 715 B11R1.16 CN(CCS)c1cccnc1 5bb9078bc645c6a66ca8b72acfaf15de [0,1,0,0,0,1|2,0,0]=4 716 B11R1.16 CN(CCS)c1cccnn1 5ced0f3fada5ce1b72e9bb574e830a85 [0,1,0,0,0,1|2,0,0]=4 717 B11R1.16 CN(CCS)c1ccncn1 6e1849aca3abdf3240fdcf5e64af9fe5 [0,1,0,0,0,1|2,0,0]=4 718 B11R1.16 CN(CCS)c1cnccn1 2d08c2d6ba147f261632e0f21f55f174 [0,1,0,0,0,1|2,0,0]=4 719 B11R1.16 CN(CCS)c1ncccn1 024daad8f8fc9a679608864058aa5363 [0,1,0,0,0,1|2,0,0]=4 720 B11R1.16 CN(CCS)c1nccnn1 f3d42f2c666b799a8bc4682caab95570 [0,1,0,0,0,1|2,0,0]=4 721 B11R1.16 COCN(C)c1ccccn1 66cbdeedae67899dab62ab4e4b9abfe2 [0,1,0,0,0,1|2,0,0]=4 722 B11R1.16 COCN(C)c1cccnc1 eee1a900430cbd2ead764847823e4249 [0,1,0,0,0,1|2,0,0]=4 723 B11R1.16 COCN(C)c1cccnn1 755489683a693b6a18f20e0a9ebb9a58 [0,1,0,0,0,1|2,0,0]=4 724 B11R1.16 COCN(C)c1ccncn1 ea5756f068e225b678955c655513531f [0,1,0,0,0,1|2,0,0]=4 725 B11R1.16 COCN(C)c1cnccn1 a76b0fd1dcf67b9f677e7bf23a60c424 [0,1,0,0,0,1|2,0,0]=4 726 B11R1.16 COCN(C)c1ncccn1 891bd6671cd8718e529b1f54cdc81ac8 [0,1,0,0,0,1|2,0,0]=4 727 B11R1.16 COCN(C)c1nccnn1 abfde58b22f88a0b4db5b20c87779c46 [0,1,0,0,0,1|2,0,0]=4 728 B11R1.16 CSCN(C)c1ccccn1 b50faf9300869282fdd09bc9d262195a [0,1,0,0,0,1|2,0,0]=4 729 B11R1.16 CSCN(C)c1cccnc1 85210a97edc62a2031929b5c7394c57b [0,1,0,0,0,1|2,0,0]=4 730 B11R1.16 CSCN(C)c1cccnn1 6419a2b5ec378bbef8ed7e6e75a5914a [0,1,0,0,0,1|2,0,0]=4 731 B11R1.16 CSCN(C)c1ccncn1 e75f3215dea71f5243d5679b1a491232 [0,1,0,0,0,1|2,0,0]=4 732 B11R1.16 CSCN(C)c1cnccn1 fa59e1713876a768b8d84e8b5846f50c [0,1,0,0,0,1|2,0,0]=4 733 B11R1.16 CSCN(C)c1ncccn1 08d4999366962aa0106bc63b06cf8bf1 [0,1,0,0,0,1|2,0,0]=4 734 B11R1.16 CSCN(C)c1nccnn1 63daa4e22b2c3595256bc34fc79192b1 [0,1,0,0,0,1|2,0,0]=4 735 B11R1.16 C[C@@H](NCF)c1ccccn1 99b97b5aa9cfaef5c750c0b6f424a155 [0,1,0,0,0,1|2,0,0]=4 736 B11R1.16 C[C@@H](NCF)c1cccnc1 661209de32fd81ce54914e1bd942009a [0,1,0,0,0,1|2,0,0]=4 737 B11R1.16 C[C@@H](NCO)c1ccccn1 06a1df171fb3e867c231d94d30fe4c59 [0,1,0,0,0,1|2,0,0]=4 738 B11R1.16 C[C@@H](NCO)c1cccnc1 cf5dbaaa37b8cb4e2f16350a55683027 [0,1,0,0,0,1|2,0,0]=4 739 B11R1.16 C[C@@H](OCF)c1ccccn1 452563b793d445f90c7b5445d0861252 [0,1,0,0,0,1|2,0,0]=4 740 B11R1.16 C[C@@H](OCF)c1cccnc1 700f73ac95c9eff915753055610d6829 [0,1,0,0,0,1|2,0,0]=4 741 B11R1.16 C[C@@H](OCF)c1cccnn1 3bd1e0f6c80525dfebefd4823c4e201f [0,1,0,0,0,1|2,0,0]=4 742 B11R1.16 C[C@@H](OCF)c1cnccn1 4ec1a495205071e6cae2957a86acc99e [0,1,0,0,0,1|2,0,0]=4 743 B11R1.16 C[C@@H](OCF)c1ncccn1 4ef5d7d7be4b61507d3fe34c1cbe860b [0,1,0,0,0,1|2,0,0]=4 744 B11R1.16 C[C@H](NCF)c1ccccn1 3f81f6af69df7aaa916f5a60f5ffdf6c [0,1,0,0,0,1|2,0,0]=4 745 B11R1.16 C[C@H](NCF)c1cccnc1 66a2dcad38cbf0d519df63526d229e46 [0,1,0,0,0,1|2,0,0]=4 746 B11R1.16 C[C@H](NCO)c1ccccn1 d98746896574333cf45787ddae8ffaa8 [0,1,0,0,0,1|2,0,0]=4 747 B11R1.16 C[C@H](NCO)c1cccnc1 476af247167559627f6aa699dfa54495 [0,1,0,0,0,1|2,0,0]=4 748 B11R1.16 C[C@H](OCF)c1ccccn1 6ecec266ea2cccd56a91b2c7f7312784 [0,1,0,0,0,1|2,0,0]=4 749 B11R1.16 C[C@H](OCF)c1cccnc1 1642ade6f48ada445386d02dbd40b795 [0,1,0,0,0,1|2,0,0]=4 750 B11R1.16 C[C@H](OCF)c1ccncn1 26bd6104abadfb12494f6a186c29cea4 [0,1,0,0,0,1|2,0,0]=4 751 B11R1.16 C[C@H](OCF)c1cnccn1 3a4066349d3d9540ab63cf5616e22030 [0,1,0,0,0,1|2,0,0]=4 752 B11R1.16 C[C@H](OCF)c1ncccn1 fefd2fdae544c7c875bfd9c11d18795f [0,1,0,0,0,1|2,0,0]=4 753 B11R1.22 CCN(C)c1ccc(cn1)C 09e547625bc47d07ffa7b31de636862b [0,1,0,0,0,1|2,0,0]=4 754 B11R1.22 CCN(C)c1ccc(cn1)Cl c558c548bcbb0876eff9f96eddc564c3 [0,1,0,0,0,1|2,0,0]=4 755 B11R1.22 CCN(C)c1ccc(cn1)F 48c4bff180c1cecc4a421b3eb0d4f7ed [0,1,0,0,0,1|2,0,0]=4 756 B11R1.22 CCN(C)c1ccc(cn1)I 5a436a740647170bba1c52d7e65abc74 [0,1,0,0,0,1|2,0,0]=4 757 B11R1.22 CCN(C)c1ccc(nc1)Br b6445fecc0c7fd88b71c31623fcd006b [0,1,0,0,0,1|2,0,0]=4 758 B11R1.22 CCN(C)c1ccc(nc1)Cl 98116e0be953dec717bcac000adb9db0 [0,1,0,0,0,1|2,0,0]=4 759 B11R1.22 CCN(C)c1ccc(nc1)F 5c2f83595d7ddc2f36ec5baf4ef48449 [0,1,0,0,0,1|2,0,0]=4 760 B11R1.22 CCN(C)c1ccc(nn1)Br a13cc5a79d191210b9467d137c22fcb5 [0,1,0,0,0,1|2,0,0]=4 761 B11R1.22 CCN(C)c1cnc(cn1)C 6faeab9093eb09074dffc7f8c73a92a2 [0,1,0,0,0,1|2,0,0]=4 762 B11R1.22 CCN(C)c1cnc(cn1)Cl 93f5384ac0dd4da7faf1f1db35aa9761 [0,1,0,0,0,1|2,0,0]=4 763 B11R1.22 CCN(C)c1ncc(cn1)Br 5c15c56eeba812df6576cce0560735c8 [0,1,0,0,0,1|2,0,0]=4 764 B11R1.22 CCN(C)c1ncc(cn1)C 0d44b64caf29ccfc1a57a37225477343 [0,1,0,0,0,1|2,0,0]=4 765 B11R1.22 CCN(C)c1ncc(cn1)Cl 894831fda3557b40e27c7e68687f15a9 [0,1,0,0,0,1|2,0,0]=4 766 B11R1.22 CCN(C)c1ncc(cn1)F f81673235193a51648ed4e76a5689ac2 [0,1,0,0,0,1|2,0,0]=4 767 B11R1.23 CCN(C)c1cc(ccn1)Br 04e0ce28cf290558a1b5ef23009381b2 [0,1,0,0,0,1|2,0,0]=4 768 B11R1.23 CCN(C)c1cc(ccn1)C a3fb3d506e0aa8bc01390f436b3f57fb [0,1,0,0,0,1|2,0,0]=4 769 B11R1.23 CCN(C)c1cc(ccn1)Cl 3d23dc5ff3e66bd32817f92db7d45321 [0,1,0,0,0,1|2,0,0]=4 770 B11R1.23 CCN(C)c1cc(ccn1)F acdf0fc420fc80413aa8e17060c46482 [0,1,0,0,0,1|2,0,0]=4 771 B11R1.23 CCN(C)c1cc(ccn1)I b295003db51738a864f3881b26ca4115 [0,1,0,0,0,1|2,0,0]=4 772 B11R1.23 CCN(C)c1cc(ncn1)Br e83552a295e2cbec9689f289fbd6f338 [0,1,0,0,0,1|2,0,0]=4 773 B11R1.23 CCN(C)c1cc(ncn1)Cl fe87b33aec231d380dcc79a66969d376 [0,1,0,0,0,1|2,0,0]=4 774 B11R1.23 CCN(C)c1ccnc(n1)Br ecb968bfc336aaf721b723fe56a35b4f [0,1,0,0,0,1|2,0,0]=4 775 B11R1.23 CCN(C)c1ccnc(n1)Cl 7ebbd687ae623103d3bb5b6406ccc735 [0,1,0,0,0,1|2,0,0]=4 776 B11R1.23 CCN(C)c1cncc(c1)Br 4e8a54f314758cec6db1d44208066fb3 [0,1,0,0,0,1|2,0,0]=4 777 B11R1.23 CCN(C)c1cncc(c1)C c586f1c7bab338ac78be772791134673 [0,1,0,0,0,1|2,0,0]=4 778 B11R1.23 CCN(C)c1cncc(c1)F 9ab7e09f4c927efd8d017c75c729608f [0,1,0,0,0,1|2,0,0]=4 779 B11R1.23 CCN(C)c1cncc(n1)Cl 61a50d6a365170af804e0900e032e6ac [0,1,0,0,0,1|2,0,0]=4 780 B11R1.23 CCN(C)c1nccc(n1)C d9f5ca3cdd018c707144b33d40a94ada [0,1,0,0,0,1|2,0,0]=4 781 B11R1.23 CCN(C)c1nccc(n1)Cl 2639f7932a8da4391a76402a443d3ef9 [0,1,0,0,0,1|2,0,0]=4 782 B11R1.36 CC(C)N(C)c1ccncn1 1814a228b6f30adf33e81d31ae0c937c [0,1,0,0,0,1|2,0,0]=4 783 B11R1.36 CC(C)N(C)c1ncccn1 b95ea3b0a873a62391c66078a7a4040a [0,1,0,0,0,1|2,0,0]=4 784 B11R1.36 CC(C)N(C)c1nccnn1 86ce7014ad5046a842638b44b6a6e404 [0,1,0,0,0,1|2,0,0]=4 785 B11R1.222 CCN(C)c1cccnc1Br 2a9bac7653109ad7cb22a369e9423ffb [0,1,0,0,0,1|2,0,0]=4 786 B11R1.222 CCN(C)c1cccnc1C 0ddb97fac4b005bf5151e63b04814336 [0,1,0,0,0,1|2,0,0]=4 787 B11R1.222 CCN(C)c1cccnc1Cl 583cec184083a5a308a72f647a6e90c8 [0,1,0,0,0,1|2,0,0]=4 788 B11R1.222 CCN(C)c1cccnc1F 60886e25b7b16c0395a71018cc5328fb [0,1,0,0,0,1|2,0,0]=4 789 B11R1.222 CCN(C)c1cnccc1C 15650ab426688eaaa83948de77c329f3 [0,1,0,0,0,1|2,0,0]=4 790 B11R1.222 CCN(C)c1cnccc1Cl 7d79648c65c6505b388546f3ddc49f07 [0,1,0,0,0,1|2,0,0]=4 791 B11R1.222 CCN(C)c1cnccc1F fe6028fb3ed3222dd3d425a51ab84bcb [0,1,0,0,0,1|2,0,0]=4 792 B11R1.222 CCN(C)c1ncc[nH]c1=O 5394ead30c6342275e87532007228ce3 [0,1,0,0,0,1|2,0,0]=4 793 B11R1.222 CCN(C)c1ncccc1C 1e30fac82468209390e0b5f96fc3f6e5 [0,1,0,0,0,1|2,0,0]=4 794 B11R1.222 CCN(C)c1ncccc1Cl 83cf3b72625659b2ba48d78213030296 [0,1,0,0,0,1|2,0,0]=4 795 B11R1.222 CCN(C)c1ncccc1F 00a0e1fae815648efad6bba19128001c [0,1,0,0,0,1|2,0,0]=4 796 B11R1.222 CCN(C)c1ncccc1I adae5b28a255cf01c9ab2ebaac117c29 [0,1,0,0,0,1|2,0,0]=4 797 B11R1.222 CCN(C)c1nccnc1C 5d523a19a51f60cd39551c666cbc848c [0,1,0,0,0,1|2,0,0]=4 798 B11R1.222 CCN(C)c1nccnc1Cl 0aff53c8cad05f64b17a5c5b4df2c214 [0,1,0,0,0,1|2,0,0]=4 799 B11R1.222 CCN(C)c1ncncc1Br 802a5d3993a243061fa37d9fc01300f3 [0,1,0,0,0,1|2,0,0]=4 800 B11R1.222 CCN(C)c1ncncc1Cl eb787c82730d2ef2747c5c56c97d515c [0,1,0,0,0,1|2,0,0]=4 801 B11R1.30 C#CCN(C)Cc1nccs1 d068b603ef2042487a08bf13f0231f58 [0,1,0,0,0,1|1,0,1]=4 802 B11R1.30 C=CCN(C)Cc1nccs1 1fdcb1817fd39e8d6b4ee02c325dd80e [0,1,0,0,0,1|1,0,1]=4 803 B11R1.30 CC(CC#N)Nc1ncc[nH]1 f8d47923388b018027a5ead081afd8f8 [0,1,0,0,0,1|1,0,1]=4 804 B11R1.30 CC(CC#N)Nc1ncco1 6b4d0b6baa6dfb9146388a44b283c410 [0,1,0,0,0,1|0,1,1]=4 805 B11R1.30 CC(CC#N)Nc1nccs1 50e02bd7c8fd86d0ba0bc275890b5f87 [0,1,0,0,0,1|0,0,1]=3 806 B11R1.30 CC(CC#N)Nc1ncns1 daa8b2afbd37b161b159d89d2ff29b90 [0,1,0,0,0,1|1,0,1]=4 807 B11R1.30 CC(CC#N)Nc1nncs1 cd24d9666aae4755c9bd46e51059191e [0,1,0,0,0,1|1,0,1]=4 808 B11R1.30 CC(CC#N)Oc1cccs1 7328b4e61e44257bc17d5f33428820bb [0,1,0,0,0,1|1,0,1]=4 809 B11R1.30 CC(CC#N)Oc1nccs1 9b8d82374b8c9d3c7c26145628b6df07 [0,1,0,0,0,1|0,0,1]=3 810 B11R1.30 CC(CC#N)Oc1nncs1 f967f023ffa232d70718c4a4d856ac0c [0,1,0,0,0,1|1,0,1]=4 811 B11R1.30 CC(CCO)Nc1c[nH]cn1 b0b5053ed5f8808f642f688eeff0dbc3 [0,1,0,0,0,1|2,0,0]=4 812 B11R1.30 CC(CCO)Nc1cc[nH]n1 69f3c0890f63ac717e2e5ccceb8beee7 [0,1,0,0,0,1|2,0,0]=4 813 B11R1.30 CC(CCO)Nc1ccns1 4da33118bb84a1a52831dbfec5559794 [0,1,0,0,0,1|2,0,0]=4 814 B11R1.30 CC(CCO)Nc1ccon1 e481f9ff70f9f3ea92c6c60b4bf27bb2 [0,1,0,0,0,1|2,0,0]=4 815 B11R1.30 CC(CCO)Nc1cscn1 c7fc2d392cb4c593d13028731fc182ea [0,1,0,0,0,1|2,0,0]=4 816 B11R1.30 CC(CCO)Nc1nc[nH]n1 dc72379314cdfaa8ca07cc1bcff55a40 [0,1,0,0,0,1|2,0,0]=4 817 B11R1.30 CC(CCO)Nc1ncco1 da14187f4fb3ad3709d1ce323edc3ecd [0,1,0,0,0,1|0,1,0]=3 818 B11R1.30 CC(CCO)Nc1nccs1 0e6be9038df1f6f7afa448f825102ee9 [0,1,0,0,0,1|0,0,0]=2 819 B11R1.30 CC(CCO)Nc1ncon1 806bd03bb791a70bf424680453ce1f6a [0,1,0,0,0,1|2,0,0]=4 820 B11R1.30 CC(CCO)Nc1nncs1 90aead53ac18393cc565908a1c4373f3 [0,1,0,0,0,1|1,0,0]=3 821 B11R1.30 CC(CCO)Nc1nnns1 e3870c9fdbe43e400a3afecaa0f1d336 [0,1,0,0,0,1|2,0,0]=4 822 B11R1.30 CCCC(=O)Nc1nccs1 e9f83916e72fe67095f66a8ff23682db [0,1,0,0,0,1|1,0,1]=4 823 B11R1.30 CCCC(C)Nc1cc[nH]n1 b4b065909ce688095c4b048bb7b7386d [0,1,0,0,0,1|2,0,0]=4 824 B11R1.30 CCCC(C)Nc1ccns1 21bc4430b7f9709e06f8236356ff9fc4 [0,1,0,0,0,1|2,0,0]=4 825 B11R1.30 CCCC(C)Nc1ccon1 ffad106731436be8ced1d762a3f2f8bd [0,1,0,0,0,1|2,0,0]=4 826 B11R1.30 CCCC(C)Nc1cocn1 8a9f92e5b79c3d6facca7b044e5f8762 [0,1,0,0,0,1|2,0,0]=4 827 B11R1.30 CCCC(C)Nc1cscn1 715eb8e2fd04c8850cf5ebef75b911c9 [0,1,0,0,0,1|2,0,0]=4 828 B11R1.30 CCCC(C)Nc1nc[nH]n1 b58508605bf6fcc12d4de88d431e5bb6 [0,1,0,0,0,1|2,0,0]=4 829 B11R1.30 CCCC(C)Nc1ncco1 3b3abc37f1b3c759cd4bd5bbcc94dd4c [0,1,0,0,0,1|0,1,0]=3 830 B11R1.30 CCCC(C)Nc1nccs1 c7695b71c92cc9661656c60f4813a6a2 [0,1,0,0,0,1|0,0,0]=2 831 B11R1.30 CCCC(C)Nc1nnco1 f2bb9f48ab83a54ab5976fbe4fcbbdca [0,1,0,0,0,1|1,1,0]=4 832 B11R1.30 CCCC(C)Nc1nnns1 bddfb5b8f1dcec7efb97fd58b3a971ae [0,1,0,0,0,1|2,0,0]=4 833 B11R1.30 CCCC(C)Oc1c[nH]cn1 978c9ea3b13cfd71c1faeecf279a2fef [0,1,0,0,0,1|2,0,0]=4 834 B11R1.30 CCCC(C)Oc1ccco1 715c6a459f942b82fe295bae77d57485 [0,1,0,0,0,1|1,1,0]=4 835 B11R1.30 CCCC(C)Oc1cccs1 796dc12e7e3554432ba77b7bb6595c04 [0,1,0,0,0,1|1,0,0]=3 836 B11R1.30 CCCC(C)Oc1nccs1 800276f9fd018d94b21807354c854724 [0,1,0,0,0,1|0,0,0]=2 837 B11R1.30 CCCC(C)Oc1nncs1 2ff2c5b1a02236ad86b5dde0ff62ef63 [0,1,0,0,0,1|1,0,0]=3 838 B11R1.30 CCCC(C)On1cccn1 ff5ef82a61920299b2b78e85ba84b66b [0,1,0,0,0,1|2,0,0]=4 839 B11R1.30 CCCN(C)Cc1cccs1 d47aa17881ff2fe293557d1c1372694d [0,1,0,0,0,1|2,0,0]=4 840 B11R1.30 CCCN(C)Cc1ncc[nH]1 489b95e2e3333e535afc4c7e057bb8bd [0,1,0,0,0,1|2,0,0]=4 841 B11R1.30 CCCN(C)Cc1ncco1 69cfe9ea54e60b6bea38f714de2a46b1 [0,1,0,0,0,1|1,1,0]=4 842 B11R1.30 CCCN(C)Cc1nccs1 00005974bb045b8b599c15d103d80ced [0,1,0,0,0,1|1,0,0]=3 843 B11R1.30 CCC[C@H](C)Nc1ccns1 89d5b2122c7fd279c8b34e577e604ce9 [0,1,0,0,0,1|2,0,0]=4 844 B11R1.30 CCNC(C)Cc1c[nH]cn1 890adc82d4ddb1d850124c26f5e2d212 [0,1,0,0,0,1|2,0,0]=4 845 B11R1.30 CCNC(C)Cc1ccc[nH]1 9544ecf8ad212305936bbb7c8680e8b3 [0,1,0,0,0,1|1,0,1]=4 846 B11R1.30 CCNC(C)Cc1ccco1 d3bc82612ebcebe3fdc3daa746d06097 [0,1,0,0,0,1|1,1,0]=4 847 B11R1.30 CCNC(C)Cn1cccn1 18b0f4ebf8da6ffae9e2e2a4707b1524 [0,1,0,0,0,1|2,0,0]=4 848 B11R1.30 CCN[C@@H](C)Cc1c[nH]cn1 9a181267ba59ccaafbc8207412e20465 [0,1,0,0,0,1|2,0,0]=4 849 B11R1.30 CCN[C@H](C)Cc1c[nH]cn1 213cc2413d44b8115606eef751860d0c [0,1,0,0,0,1|2,0,0]=4 850 B11R1.30 CCOC(C)Cc1ccco1 4721e32c92e264327edcbf525712e92a [0,1,0,0,0,1|1,1,0]=4 851 B11R1.30 CN(CC#N)Cc1nccs1 578b37633060ce89288b78b234d406e8 [0,1,0,0,0,1|1,0,1]=4 852 B11R1.30 CN(CC=O)Cc1nccs1 316dc3bc5b0d930a36bc5a3b55077606 [0,1,0,0,0,1|1,0,1]=4 853 B11R1.30 CN(CCF)Cc1cccs1 ddaff90bef565c4a302f60e6706cd4ae [0,1,0,0,0,1|2,0,0]=4 854 B11R1.30 CN(CCF)Cc1ncc[nH]1 f81a3ffd70ba92b7c7b24d61ff9e7c8d [0,1,0,0,0,1|2,0,0]=4 855 B11R1.30 CN(CCF)Cc1ncco1 323ac848a5159f7e2a2de904cc04a255 [0,1,0,0,0,1|1,1,0]=4 856 B11R1.30 CN(CCF)Cc1nccs1 a22cb78aac9a2e5d1facfabf38fbda4a [0,1,0,0,0,1|1,0,0]=3 857 B11R1.30 CN(CCO)Cc1cccs1 2560a9ed39cd733f3d523b939ea83a5d [0,1,0,0,0,1|2,0,0]=4 858 B11R1.30 CN(CCO)Cc1ncc[nH]1 2714f6e439af7f22c86011fa5db2bf7b [0,1,0,0,0,1|2,0,0]=4 859 B11R1.30 CN(CCO)Cc1ncco1 39545f88471673033cc2138d95161721 [0,1,0,0,0,1|1,1,0]=4 860 B11R1.30 CN(CCO)Cc1nccs1 fe0ce7a707d9b3455e5fcc5d771f99f7 [0,1,0,0,0,1|1,0,0]=3 861 B11R1.30 CN(CCS)Cc1cccs1 39bd2b09cb8ce28da1becd7fe69b6b64 [0,1,0,0,0,1|2,0,0]=4 862 B11R1.30 CN(CCS)Cc1ncc[nH]1 e36e7ea3e2eedcb228f9a54aa48bd057 [0,1,0,0,0,1|2,0,0]=4 863 B11R1.30 CN(CCS)Cc1ncco1 fc3bf0794da7a2da73dd43844c0a6917 [0,1,0,0,0,1|1,1,0]=4 864 B11R1.30 CN(CCS)Cc1nccs1 34a3408f7a55d14dbe20256bbfbab130 [0,1,0,0,0,1|1,0,0]=3 865 B11R1.30 COCC(=O)Nc1nccs1 92039ff24c9ffe84a41c1ed7aa5732b7 [0,1,0,0,0,1|1,0,1]=4 866 B11R1.30 COCC(C)Nc1cc[nH]n1 1dd3f29191c43af3c7b42a8cced452a0 [0,1,0,0,0,1|2,0,0]=4 867 B11R1.30 COCC(C)Nc1cccs1 3f0d7daa37ab164ab6c3fc43463d7079 [0,1,0,0,0,1|1,0,0]=3 868 B11R1.30 COCC(C)Nc1ccns1 5b9a2dcb99aa3923fb6e24cbe387c300 [0,1,0,0,0,1|2,0,0]=4 869 B11R1.30 COCC(C)Nc1ccon1 2ae3ac2e9eef99cf04c8f19422417bbc [0,1,0,0,0,1|2,0,0]=4 870 B11R1.30 COCC(C)Nc1cncs1 0385fb84d9cc5d333f16ee233b5698a5 [0,1,0,0,0,1|2,0,0]=4 871 B11R1.30 COCC(C)Nc1cocn1 526c4c0f4266f305dbf144fe5ae5183f [0,1,0,0,0,1|2,0,0]=4 872 B11R1.30 COCC(C)Nc1cscn1 82e37295039c08894a62131671b35248 [0,1,0,0,0,1|2,0,0]=4 873 B11R1.30 COCC(C)Nc1nc[nH]n1 e193dc8c48995497cc307872334dc5e6 [0,1,0,0,0,1|2,0,0]=4 874 B11R1.30 COCC(C)Nc1ncc[nH]1 4e216e68e5a9c1fcb2e3fa3ca39e0f3f [0,1,0,0,0,1|1,0,0]=3 875 B11R1.30 COCC(C)Nc1ncco1 40f9e6609fc27fadc901b57dd634c850 [0,1,0,0,0,1|0,1,0]=3 876 B11R1.30 COCC(C)Nc1nccs1 540e94f0b2fb058c4e422a3ee80fb5b7 [0,1,0,0,0,1|0,0,0]=2 877 B11R1.30 COCC(C)Nc1ncns1 591f9e26b24f94ae41fd7ac03a46ec42 [0,1,0,0,0,1|1,0,0]=3 878 B11R1.30 COCC(C)Nc1ncon1 aff8f401091a6e0141b67fa2bdf72a06 [0,1,0,0,0,1|2,0,0]=4 879 B11R1.30 COCC(C)Nc1nnco1 23508a9c9e2c085595f62d5635748a56 [0,1,0,0,0,1|1,1,0]=4 880 B11R1.30 COCC(C)Nc1nncs1 1e6ebb5ea0897d4dc4d4b8c6434e60b2 [0,1,0,0,0,1|1,0,0]=3 881 B11R1.30 COCC(C)Nc1nnns1 3942290657b2ed091b9de6e4cd423002 [0,1,0,0,0,1|2,0,0]=4 882 B11R1.30 COCC(C)Oc1c[nH]cn1 7eaabd037a2839c51f2b6f7e34e602ee [0,1,0,0,0,1|2,0,0]=4 883 B11R1.30 COCC(C)Oc1ccco1 8c16ff75bc7d6180985e9463a9cff0e5 [0,1,0,0,0,1|1,1,0]=4 884 B11R1.30 COCC(C)Oc1cccs1 527c0ef2862469748ada89e9e0f187f8 [0,1,0,0,0,1|1,0,0]=3 885 B11R1.30 COCC(C)Oc1nccs1 23f6a489983f29f5f1e7b3906a12db16 [0,1,0,0,0,1|0,0,0]=2 886 B11R1.30 COCC(C)Oc1nncs1 4f87ef78ac96b9d39741bef3b83967cc [0,1,0,0,0,1|1,0,0]=3 887 B11R1.30 COCC(C)On1cccn1 77bc4e9d0446620c9616716778b5ebd4 [0,1,0,0,0,1|2,0,0]=4 888 B11R1.30 COCN(C)Cc1cccs1 2b2a4ffdac77907fdddd73ed4e60f9ea [0,1,0,0,0,1|2,0,0]=4 889 B11R1.30 COCN(C)Cc1ncc[nH]1 cf49418697a1aa83c38a9142c6797d6b [0,1,0,0,0,1|2,0,0]=4 890 B11R1.30 COCN(C)Cc1ncco1 0c8690c879ef47d9f96ee63ddb953b8a [0,1,0,0,0,1|1,1,0]=4 891 B11R1.30 COCN(C)Cc1nccs1 2921625fad4973a002456629ed1dca86 [0,1,0,0,0,1|1,0,0]=3 892 B11R1.30 COC[C@@H](C)Nc1ccns1 6d0b529da5ed021a9d79baa63559a3ef [0,1,0,0,0,1|2,0,0]=4 893 B11R1.30 COC[C@@H](C)Nc1ncco1 b2bb7da63b2383a7e081e5f558d8827d [0,1,0,0,0,1|0,1,0]=3 894 B11R1.30 COC[C@@H](C)Nc1nccs1 67f7295c90138c34b9882a4713bae492 [0,1,0,0,0,1|0,0,0]=2 895 B11R1.30 COC[C@H](C)Nc1ccns1 3270e0fc750e274d666b42cd40204af9 [0,1,0,0,0,1|2,0,0]=4 896 B11R1.30 COC[C@H](C)Nc1ncco1 0889e926e9944a3e54e0181ddd27872e [0,1,0,0,0,1|0,1,0]=3 897 B11R1.30 COC[C@H](C)Nc1nccs1 2007e8340df305fed78cfac95ef763b7 [0,1,0,0,0,1|0,0,0]=2 898 B11R1.30 CSCC(=O)Nc1nccs1 52356853a7cd551e4e3bfb71bc0668ab [0,1,0,0,0,1|1,0,1]=4 899 B11R1.30 CSCN(C)Cc1cccs1 09fff3c6d27434ad9fa13249d67b850e [0,1,0,0,0,1|2,0,0]=4 900 B11R1.30 CSCN(C)Cc1ncc[nH]1 794c9e6109c23746670fbfe1ecc3342f [0,1,0,0,0,1|2,0,0]=4 901 B11R1.30 CSCN(C)Cc1ncco1 190b1345acbd33d13fd50fdc2f3a7dd1 [0,1,0,0,0,1|1,1,0]=4 902 B11R1.30 CSCN(C)Cc1nccs1 a22c4bf5965c467227cdc11a5d13de17 [0,1,0,0,0,1|1,0,0]=3 903 B11R1.30 C[C@@H](CCO)Nc1c[nH]cn1 8d9d601ae66e2d15e8552003aec0235d [0,1,0,0,0,1|2,0,0]=4 904 B11R1.30 C[C@@H](CCO)Nc1ccns1 ab29c80a1b086eded61e936d7053f32a [0,1,0,0,0,1|2,0,0]=4 905 B11R1.30 C[C@@H](CCO)Nc1ncco1 954602aa2076b30b36c4bab5f7577aad [0,1,0,0,0,1|0,1,0]=3 906 B11R1.30 C[C@H](CCO)Nc1c[nH]cn1 3e23359082011a12b4f6904d0750b1b1 [0,1,0,0,0,1|2,0,0]=4 907 B11R1.30 C[C@H](CCO)Nc1ccns1 a71274a19ce4c32f2c7b2908dd129572 [0,1,0,0,0,1|2,0,0]=4 908 B11R1.30 C[C@H](CCO)Nc1ncco1 700a9a007783dc441880cde2687b047d [0,1,0,0,0,1|0,1,0]=3 909 B11R1.30 O=C(CCF)Nc1nccs1 346a84ecc1270eecd7d1c69c2af17c8e [0,1,0,0,0,1|1,0,1]=4 910 B11R1.30 O=C(CCO)Nc1nccs1 11a4d6229bc814ad5d2559287550ca90 [0,1,0,0,0,1|1,0,1]=4 911 B11R1.30 O=C(CCS)Nc1nccs1 66ba860a71a3399df7961303f147e958 [0,1,0,0,0,1|1,0,1]=4 912 B11R1.31 C=CC(C)N(C)c1nccs1 059e779030e074847d8194cf49b5369b [0,1,0,0,0,1|0,0,2]=4 913 B11R1.31 CC(C=O)N(C)c1nccs1 1d6621f69356f093e674d4209ef4f349 [0,1,0,0,0,1|1,0,1]=4 914 B11R1.31 CC(CO)N(C)c1ncc[nH]1 f0e74a931ea53d251c538c91976e6db5 [0,1,0,0,0,1|2,0,0]=4 915 B11R1.31 CC(CO)N(C)c1ncco1 930240a906839bf382d0222b87260317 [0,1,0,0,0,1|1,1,0]=4 916 B11R1.31 CC(CO)N(C)c1nccs1 e766c6e6cda25504272bde96af5eeb9d [0,1,0,0,0,1|1,0,0]=3 917 B11R1.31 CC(c1nccs1)N(C)CF 9bc543472015f916d1fad0da86e23a08 [0,1,0,0,0,1|2,0,0]=4 918 B11R1.31 CC(c1nccs1)N(C)CO 91ad1d547f304bf4e265353c2efbce31 [0,1,0,0,0,1|2,0,0]=4 919 B11R1.31 CCC(=O)N(C)c1nccs1 46b6b912da9f82faaa10c00a29ba1b01 [0,1,0,0,0,1|1,0,1]=4 920 B11R1.31 CCC(C)N(C)c1cc[nH]n1 83dc8242bdf35ccd40123a42d71db828 [0,1,0,0,0,1|2,0,0]=4 921 B11R1.31 CCC(C)N(C)c1ccon1 c58e6ce40745f10b53556861225e71f3 [0,1,0,0,0,1|2,0,0]=4 922 B11R1.31 CCC(C)N(C)c1ncc[nH]1 0f5d75666b1ea1c7b72c20416fa64f93 [0,1,0,0,0,1|1,0,0]=3 923 B11R1.31 CCC(C)N(C)c1ncco1 c9e67dd0b2826e0b6b80f5ff912fdfc6 [0,1,0,0,0,1|0,1,0]=3 924 B11R1.31 CCC(C)N(C)c1nccs1 d4139ecc27117a07f0b6312e0eea4d22 [0,1,0,0,0,1|0,0,0]=2 925 B11R1.31 CCC(C)N(C)c1nnc[nH]1 ea7a44bcae4e1d0f1d5ca6faf84d24bb [0,1,0,0,0,1|2,0,0]=4 926 B11R1.31 CCC(C)N(C)c1nnco1 9e7ce4a0a46335febbc73908de00b31d [0,1,0,0,0,1|1,1,0]=4 927 B11R1.31 CCN(C)C(=O)c1cccs1 80970f2e6f1dc626206597e2cfac810d [0,1,0,0,0,1|2,0,0]=4 928 B11R1.31 CCN(C)C(=O)c1ncco1 121c1af6bc556b4fafc677e40bfcf51b [0,1,0,0,0,1|1,1,0]=4 929 B11R1.31 CCN(C)C(=O)c1nccs1 72fa8027d0a7cd20ed26c27371619943 [0,1,0,0,0,1|1,0,0]=3 930 B11R1.31 CCN(C)C(=O)c1ncns1 a36fe0edd3392428c7885b872f3caf0c [0,1,0,0,0,1|2,0,0]=4 931 B11R1.31 CCN(C)C(C)c1nccs1 3ecd048f24ba02dd53d028f0ac9280e3 [0,1,0,0,0,1|1,0,0]=3 932 B11R1.31 C[C@@H](CO)N(C)c1ncco1 4f588f01198ddfcb9d6315ce724cb080 [0,1,0,0,0,1|1,1,0]=4 933 B11R1.31 C[C@@H](CO)N(C)c1nccs1 684e9ba8769feb82d622095c6085e013 [0,1,0,0,0,1|1,0,0]=3 934 B11R1.31 C[C@H](C=O)N(C)c1nccs1 2694a456f42a72d1165e621a2ea3c476 [0,1,0,0,0,1|1,0,1]=4 935 B11R1.31 C[C@H](CO)N(C)c1ncco1 aced1e9941a2b33792e257c038b6cd8c [0,1,0,0,0,1|1,1,0]=4 936 B11R1.31 C[C@H](CO)N(C)c1nccs1 25165f4ad378ea427b9484d12aa2045e [0,1,0,0,0,1|1,0,0]=3 937 B11R1.35 CC(=O)C(C)Nc1ncc[nH]1 b6c4f0bf8743b72d87e804cd0c0618de [0,1,0,0,0,1|1,0,1]=4 938 B11R1.35 CC(=O)C(C)Nc1ncco1 775586ee3024e3c0d67456f36e102a07 [0,1,0,0,0,1|0,1,1]=4 939 B11R1.35 CC(=O)C(C)Nc1nccs1 3d7ce490cff4c4b2a64c72d9727d3029 [0,1,0,0,0,1|0,0,1]=3 940 B11R1.35 CC(=O)C(C)Nc1ncns1 cd3cf1b26399c31f04cd9659b7da66bc [0,1,0,0,0,1|1,0,1]=4 941 B11R1.35 CC(=O)C(C)Nc1nncs1 bff497804accf6df3e34f702044d35fc [0,1,0,0,0,1|1,0,1]=4 942 B11R1.35 CC(=O)C(C)Oc1nccs1 9095f8b68a7512644d61b5e23f90196e [0,1,0,0,0,1|0,0,1]=3 943 B11R1.35 CC(=O)C(C)Oc1nncs1 cf516aa1e2617761be48c5b1e6e9d099 [0,1,0,0,0,1|1,0,1]=4 944 B11R1.35 CC(=O)N(C)Cc1nccs1 94ddf6672d43a9a3d00ecd27fbe0a253 [0,1,0,0,0,1|1,0,1]=4 945 B11R1.35 CC(C)C(C)Nc1cc[nH]n1 1a86e93178ed2ff62bc892e125bfb26b [0,1,0,0,0,1|2,0,0]=4 946 B11R1.35 CC(C)C(C)Nc1ccns1 d2302222ab209e1733f87caecb9267c7 [0,1,0,0,0,1|2,0,0]=4 947 B11R1.35 CC(C)C(C)Nc1cscn1 4a9d8899ab6e6e28104a3f3a4956ca8e [0,1,0,0,0,1|2,0,0]=4 948 B11R1.35 CC(C)C(C)Nc1nc[nH]n1 8fe2080f3d68a91f3332622c246d5f77 [0,1,0,0,0,1|2,0,0]=4 949 B11R1.35 CC(C)C(C)Nc1ncco1 54d72cbfec1df615dcd8ebcfa80f1bce [0,1,0,0,0,1|0,1,0]=3 950 B11R1.35 CC(C)C(C)Nc1nccs1 9955ce0647a8e239c14460c6a35f8322 [0,1,0,0,0,1|0,0,0]=2 951 B11R1.35 CC(C)C(C)Nc1nncs1 cc9005afd9e5a2ea073ac2b5967cac8c [0,1,0,0,0,1|1,0,0]=3 952 B11R1.35 CC(C)C(C)Nc1nnns1 da77b038c14b18e76e024954516fa124 [0,1,0,0,0,1|2,0,0]=4 953 B11R1.35 CC(C)C(C)Oc1c[nH]cn1 6f75c155ed16d2202a0286544c157a4b [0,1,0,0,0,1|2,0,0]=4 954 B11R1.35 CC(C)C(C)Oc1ccco1 6d79cd5869e7d48bcea6279348bb6f1e [0,1,0,0,0,1|1,1,0]=4 955 B11R1.35 CC(C)C(C)Oc1nccs1 ea416e24087b6773a865b37c9abef4a0 [0,1,0,0,0,1|0,0,0]=2 956 B11R1.35 CC(C)C(C)Oc1nncs1 e632b3f3cde4a32eb5212b83616e9ff9 [0,1,0,0,0,1|1,0,0]=3 957 B11R1.35 CC(C)C(C)On1cccn1 282768fc41b04f7fc154da4d36229d22 [0,1,0,0,0,1|2,0,0]=4 958 B11R1.35 CC(C)N(C)Cc1cccs1 4b4d4a4c40e24898e80142e2d35c3ea1 [0,1,0,0,0,1|2,0,0]=4 959 B11R1.35 CC(C)N(C)Cc1ncc[nH]1 f5c0902e2ee2e8f3054273112925df26 [0,1,0,0,0,1|2,0,0]=4 960 B11R1.35 CC(C)N(C)Cc1ncco1 8e430fe44db373737dd5b2e5439b022e [0,1,0,0,0,1|1,1,0]=4 961 B11R1.35 CC(C)N(C)Cc1nccs1 551086b4eca14559e3d58fe779cebf93 [0,1,0,0,0,1|1,0,0]=3 962 B11R1.35 CC(C)[C@@H](C)Nc1ccns1 2133742b8461b23e7b62261cd13828ad [0,1,0,0,0,1|2,0,0]=4 963 B11R1.35 CC(C)[C@@H](C)Nc1ncco1 731202dc79b36262497bdc0aa1fd9ca3 [0,1,0,0,0,1|0,1,0]=3 964 B11R1.35 CC(C)[C@@H](C)Nc1nccs1 6f655fe27b2cba6f40dbd8b0d1ec45cb [0,1,0,0,0,1|0,0,0]=2 965 B11R1.35 CC(C)[C@H](C)Nc1ccns1 8b34c85267b6144f1413602a3ccda79a [0,1,0,0,0,1|2,0,0]=4 966 B11R1.35 CC(C)[C@H](C)Nc1ncco1 867ee938c7bfa2f9882d498465bbf430 [0,1,0,0,0,1|0,1,0]=3 967 B11R1.35 CC(C)[C@H](C)Nc1nccs1 88d8d60a383a8cc8c07f0137a6313939 [0,1,0,0,0,1|0,0,0]=2 968 B11R1.35 CC(Nc1nccs1)C(=O)N ca424e5703e379b6a71f7c2ad172bf0d [0,1,0,0,0,1|1,0,1]=4 969 B11R1.35 CC(O)C(=O)Nc1nccs1 4239437e9c6e1d7670c4411dd05d8ce4 [0,1,0,0,0,1|1,0,1]=4 970 B11R1.35 CC(O)C(C)Nc1ccns1 493f9d12be99ceb5cc81bf15c4232ff6 [0,1,0,0,0,1|2,0,0]=4 971 B11R1.35 CC(Oc1nccs1)C(=O)N a2516972448b5a5ee4ecdbde2c788a36 [0,1,0,0,0,1|1,0,1]=4 972 B11R1.35 CC(S)C(=O)Nc1nccs1 699d90a5b5c8a657c457e4dc72093034 [0,1,0,0,0,1|1,0,1]=4 973 B11R1.35 C[C@@H](Nc1ncco1)C(F)F a946a6b94bc92045604a4a5034291ba8 [0,1,0,0,0,1|1,1,0]=4 974 B11R1.35 C[C@@H](Nc1nccs1)C(=O)N 7410be42e2ab1c88378b4f5117927745 [0,1,0,0,0,1|1,0,1]=4 975 B11R1.35 C[C@@H](Nc1nccs1)C(F)F 8b6cf33ec65bfd94c3c09dfd12420968 [0,1,0,0,0,1|1,0,0]=3 976 B11R1.35 C[C@@H](O)C(=O)Nc1nccs1 958262c24672258b5b512310d80a9cb5 [0,1,0,0,0,1|1,0,1]=4 977 B11R1.35 C[C@H](Nc1ncco1)C(F)F e477e3362790f297bf8292601df0072f [0,1,0,0,0,1|1,1,0]=4 978 B11R1.35 C[C@H](Nc1nccs1)C(=O)N 6ad756207349406738e8b83ef7c0ce82 [0,1,0,0,0,1|1,0,1]=4 979 B11R1.35 C[C@H](Nc1nccs1)C(F)F 765dac7f4f41ab41d824fd6d5921436e [0,1,0,0,0,1|1,0,0]=3 980 B11R1.35 C[C@H](O)C(=O)Nc1nccs1 5929f7d2f8db310222388f9a19772be7 [0,1,0,0,0,1|1,0,1]=4 981 B11R1.39 C=CC(C)Nc1nc(cs1)Br e580e8f6a10cafcf0ff1c8e3553162fc [0,1,0,0,0,1|0,0,2]=4 982 B11R1.39 C=CC(C)Nc1nc(cs1)C c1768cfdc729f8a12ee5b0d05c3a114e [0,1,0,0,0,1|0,0,2]=4 983 B11R1.39 C=CC(C)Nc1nc(cs1)Cl 8f06ae60c26c4a59fef877ec8c7f56bf [0,1,0,0,0,1|0,0,2]=4 984 B11R1.39 C=CC(C)Nc1ncc(s1)Br 8111c962146a761eb24a9b367b692868 [0,1,0,0,0,1|0,0,2]=4 985 B11R1.39 C=CC(C)Nc1ncc(s1)C 2c2fe6a630b2bf556d75c998a2c31625 [0,1,0,0,0,1|0,0,2]=4 986 B11R1.39 C=CC(C)Nc1ncc(s1)Cl 4675e46ce96370f794dc2eb2ec66e25e [0,1,0,0,0,1|0,0,2]=4 987 B11R1.39 C=CC(C)Nc1ncc(s1)F 3dded8cf229849bac9807a4d58c12c8d [0,1,0,0,0,1|0,0,2]=4 988 B11R1.39 C=CC(C)Nc1ncc(s1)S 78ffc63eadc0b50f6bcffe0e3090dd85 [0,1,0,0,0,1|0,0,2]=4 989 B11R1.39 C=CC(C)Oc1nc(cs1)Br a50640d5ebc0cc10e0b5bc62aea232e6 [0,1,0,0,0,1|0,0,2]=4 990 B11R1.39 CC(C=O)Nc1nc(cs1)Br 05f843fcb5edcd647f5551a58e4b07f9 [0,1,0,0,0,1|1,0,1]=4 991 B11R1.39 CC(C=O)Nc1nc(cs1)Cl 1db92a4bf016bb419cee2df22f2fd5b5 [0,1,0,0,0,1|1,0,1]=4 992 B11R1.39 CC(C=O)Nc1ncc(s1)Br ef24c2f1e24225c912aaf45203ffcf88 [0,1,0,0,0,1|1,0,1]=4 993 B11R1.39 CC(C=O)Nc1ncc(s1)Cl 75c0a797918ee9e662643728ef351e17 [0,1,0,0,0,1|1,0,1]=4 994 B11R1.39 CC(C=O)Nc1ncc(s1)F 6bedf973e61a7fffc254e6f510bb056b [0,1,0,0,0,1|1,0,1]=4 995 B11R1.39 CC(C=O)Nc1ncc(s1)S 7113eea221e551ad753da14ddf25a846 [0,1,0,0,0,1|1,0,1]=4 996 B11R1.39 CC(C=O)Oc1nc(cs1)Br a65c2d13c9b89c449aa81d3f59e17e93 [0,1,0,0,0,1|1,0,1]=4 997 B11R1.39 CC(CO)Nc1ccc(s1)F 627029b517a196d14c142d2f5a41fdec [0,1,0,0,0,1|2,0,0]=4 998 B11R1.39 CC(CO)Nc1nc(=S)ss1 233ecf40da0c0d7a4df7176259de2dd6 [0,1,0,0,0,1|2,0,0]=4 999 B11R1.39 CC(CO)Nc1nc(c[nH]1)Br f488bcc16699893f03e8a023c56375af [0,1,0,0,0,1|2,0,0]=4 1000 B11R1.39 CC(CO)Nc1nc(co1)Br 6b6a92c91b1325d1583c5bfe758fd084 [0,1,0,0,0,1|1,1,0]=4 1001 B11R1.39 CC(CO)Nc1nc(cs1)Br 3d36d163dfb738749ac4d724980f3354 [0,1,0,0,0,1|1,0,0]=3 1002 B11R1.39 CC(CO)Nc1nc(cs1)Cl ab0b2ac753fc571192adc2caec1a9c51 [0,1,0,0,0,1|1,0,0]=3 1003 B11R1.39 CC(CO)Nc1nc(ns1)Br c6b11dcabcbada69ecb7494abf7d2bbf [0,1,0,0,0,1|2,0,0]=4 1004 B11R1.39 CC(CO)Nc1nc(ns1)Cl cd4cb17b1f8ccce5402a35f98a9e7c15 [0,1,0,0,0,1|2,0,0]=4 1005 B11R1.39 CC(CO)Nc1nnc(s1)Br d98da15c41eda246b36728717812d8d6 [0,1,0,0,0,1|2,0,0]=4 1006 B11R1.39 CC(CO)Nc1nnc(s1)Cl 295f2007d61a3d323d226c24135ebc3e [0,1,0,0,0,1|2,0,0]=4 1007 B11R1.39 CCC(=O)Nc1nc(cs1)C 1778d2c89e4f112444dc5698c176b7a2 [0,1,0,0,0,1|1,0,1]=4 1008 B11R1.39 CCC(=O)Nc1ncc(s1)C 5e5b569b297a55519b8c7acf7502ff98 [0,1,0,0,0,1|1,0,1]=4 1009 B11R1.39 CCC(=O)Nc1ncc(s1)Cl a96c996cf53102ba8efa39c5d7533905 [0,1,0,0,0,1|1,0,1]=4 1010 B11R1.39 CCC(=O)Nc1ncc(s1)F 92e3d22a91a028ca2a252df1c15e7ec4 [0,1,0,0,0,1|1,0,1]=4 1011 B11R1.39 CCC(C)Nc1cc([nH]n1)Br 3806edc70ce096e8c48937c7b3c77e51 [0,1,0,0,0,1|2,0,0]=4 1012 B11R1.39 CCC(C)Nc1cc([nH]n1)C 9aa0c01b9b062d6001743bdc57210184 [0,1,0,0,0,1|2,0,0]=4 1013 B11R1.39 CCC(C)Nc1cc([nH]n1)F 2838ee685ea101a93a51cdeb3d3ee30a [0,1,0,0,0,1|2,0,0]=4 1014 B11R1.39 CCC(C)Nc1cc(ns1)C 70e213e662c3e4c766fc4604ea27866c [0,1,0,0,0,1|2,0,0]=4 1015 B11R1.39 CCC(C)Nc1cc(on1)C 33db287f1b3fb8cd94f3ad29f146d198 [0,1,0,0,0,1|2,0,0]=4 1016 B11R1.39 CCC(C)Nc1cc(sn1)Br b3abe696f3b70c3e7341f151e80d2016 [0,1,0,0,0,1|2,0,0]=4 1017 B11R1.39 CCC(C)Nc1ccc(s1)Br f73604c37be6757f4d608925eea4a692 [0,1,0,0,0,1|1,0,0]=3 1018 B11R1.39 CCC(C)Nc1ccc(s1)C 09796503a1c6a7f3f70efb35f4c93a58 [0,1,0,0,0,1|1,0,0]=3 1019 B11R1.39 CCC(C)Nc1ccn(n1)C f3d09ea69e456202856e4f303b2332ae [0,1,0,0,0,1|2,0,0]=4 1020 B11R1.39 CCC(C)Nc1cn(cn1)C 2a8ec857f8e05c83c7366fcd1af82e6a [0,1,0,0,0,1|2,0,0]=4 1021 B11R1.39 CCC(C)Nc1cnc(s1)Br 80ed701fc2be54e7c8f90427d3b4918b [0,1,0,0,0,1|2,0,0]=4 1022 B11R1.39 CCC(C)Nc1cnc(s1)C 98f8600adf5fabea4ba2f3ab4cfcde48 [0,1,0,0,0,1|2,0,0]=4 1023 B11R1.39 CCC(C)Nc1coc(n1)N aebf565452a874ec815317834d1c5215 [0,1,0,0,0,1|2,0,0]=4 1024 B11R1.39 CCC(C)Nc1csc(n1)Br 0b27ae08e57fec70176ba0918432e271 [0,1,0,0,0,1|2,0,0]=4 1025 B11R1.39 CCC(C)Nc1n[nH]c(=O)[nH]1 57bcd659156170f37c4dfa9146f4a599 [0,1,0,0,0,1|2,0,0]=4 1026 B11R1.39 CCC(C)Nc1n[nH]c(n1)Br 93c671210539a730148cce40a4cd7ebe [0,1,0,0,0,1|2,0,0]=4 1027 B11R1.39 CCC(C)Nc1n[nH]c(n1)S 9508a8555ee448f504dd26fa336d1c75 [0,1,0,0,0,1|2,0,0]=4 1028 B11R1.39 CCC(C)Nc1nc(=S)ss1 616dbf0c14de5c29741e59700b918259 [0,1,0,0,0,1|1,0,0]=3 1029 B11R1.39 CCC(C)Nc1nc(c[nH]1)Br 2a52be939ba49cfc8e449f83c54c8365 [0,1,0,0,0,1|1,0,0]=3 1030 B11R1.39 CCC(C)Nc1nc(co1)Br 36c780ff4bd95728c2ae3f9fb312da1f [0,1,0,0,0,1|0,1,0]=3 1031 B11R1.39 CCC(C)Nc1nc(co1)C e73baf92e9815f1d62b6c09873d19374 [0,1,0,0,0,1|0,1,0]=3 1032 B11R1.39 CCC(C)Nc1nc(cs1)Br a41db71cee88ed582a9102237dd5c565 [0,1,0,0,0,1|0,0,0]=2 1033 B11R1.39 CCC(C)Nc1nc(cs1)C c88917c8f1f4f5e9f3e4b96f29aca99c [0,1,0,0,0,1|0,0,0]=2 1034 B11R1.39 CCC(C)Nc1nc(cs1)Cl 2e949d917e54053c11afed890b66393f [0,1,0,0,0,1|0,0,0]=2 1035 B11R1.39 CCC(C)Nc1nc(n[nH]1)C dcb484bba28ac9e948000e68d7cd8794 [0,1,0,0,0,1|2,0,0]=4 1036 B11R1.39 CCC(C)Nc1nc(n[nH]1)Cl c6021986ee529ce19ceb5b1a4ce735b4 [0,1,0,0,0,1|2,0,0]=4 1037 B11R1.39 CCC(C)Nc1nc(no1)C 05e7219b72bc023161d08f3729ec6d28 [0,1,0,0,0,1|1,1,0]=4 1038 B11R1.39 CCC(C)Nc1nc(ns1)Br df65803c17e0b16c8eb0cf9cb7c048ad [0,1,0,0,0,1|1,0,0]=3 1039 B11R1.39 CCC(C)Nc1nc(ns1)C 59b617836a590dc9cc1cfecd35d66ffd [0,1,0,0,0,1|1,0,0]=3 1040 B11R1.39 CCC(C)Nc1nc(ns1)Cl 5a890b2ff9fc1facef5d7716962e387c [0,1,0,0,0,1|1,0,0]=3 1041 B11R1.39 CCC(C)Nc1ncc([nH]1)C 2a216310dda92cac8b0d319a010b9f8a [0,1,0,0,0,1|1,0,0]=3 1042 B11R1.39 CCC(C)Nc1ncc(o1)C 6df8ebbcaf7916ee19031589a234e7ee [0,1,0,0,0,1|0,1,0]=3 1043 B11R1.39 CCC(C)Nc1ncc(s1)Br 073b96b01bbb4ef2056ae998bee74526 [0,1,0,0,0,1|0,0,0]=2 1044 B11R1.39 CCC(C)Nc1ncc(s1)Cl 606859fea3d47cf0d4dca9871f41f14f [0,1,0,0,0,1|0,0,0]=2 1045 B11R1.39 CCC(C)Nc1ncn(n1)C 7c59474f662e4eda80badd0697971aba [0,1,0,0,0,1|2,0,0]=4 1046 B11R1.39 CCC(C)Nc1nnc(o1)Br 69c276edfd4743800953ad38033acdb3 [0,1,0,0,0,1|1,1,0]=4 1047 B11R1.39 CCC(C)Nc1nnc(o1)C 38cc32a49e53d854a29102a33aa8ab72 [0,1,0,0,0,1|1,1,0]=4 1048 B11R1.39 CCC(C)Nc1nnc(s1)Br 8f0cc5aa0cd80b2b958f9c943a075f34 [0,1,0,0,0,1|1,0,0]=3 1049 B11R1.39 CCC(C)Nc1nnc(s1)C 9542da0c547c0f9a6225c1cf40a11c06 [0,1,0,0,0,1|1,0,0]=3 1050 B11R1.39 CCC(C)Nc1nnc(s1)Cl b2a5a89662284a730c20763db61fcb9f [0,1,0,0,0,1|1,0,0]=3 1051 B11R1.39 CCC(C)Nc1noc(=O)[nH]1 e8f087a1429fe7a2f17408219309f19d [0,1,0,0,0,1|2,0,0]=4 1052 B11R1.39 CCC(C)Nc1noc(n1)C 528d977a812848d111349788992fd06d [0,1,0,0,0,1|2,0,0]=4 1053 B11R1.39 CCC(C)Nc1nsc(n1)C 7b468327f1efe0e67f25fc8a195f75f7 [0,1,0,0,0,1|2,0,0]=4 1054 B11R1.39 CCC(C)Oc1cc(cs1)C b845c3fb995d98853c3cb8d144c42eef [0,1,0,0,0,1|1,0,0]=3 1055 B11R1.39 CCC(C)Oc1cc(sn1)Cl 3ab1f241af8ecf3eecd076c0798f6231 [0,1,0,0,0,1|2,0,0]=4 1056 B11R1.39 CCC(C)Oc1ccc(s1)Br 22b07f91bf8904f74961894c357fedd3 [0,1,0,0,0,1|1,0,0]=3 1057 B11R1.39 CCC(C)Oc1ccn(n1)C 73bcb8dc40a94b325fc55de6e814ac47 [0,1,0,0,0,1|2,0,0]=4 1058 B11R1.39 CCC(C)Oc1n[nH]c(n1)C b42327bd9aac389ccd5cd424cdf043b1 [0,1,0,0,0,1|2,0,0]=4 1059 B11R1.39 CCC(C)Oc1nc(cs1)Br 7a6fd15558c9951b11578c5a75d48b3a [0,1,0,0,0,1|0,0,0]=2 1060 B11R1.39 CCC(C)Oc1nc(n[nH]1)Br bfb45923f94f5b1c4c3df9c67a8f376a [0,1,0,0,0,1|2,0,0]=4 1061 B11R1.39 CCC(C)Oc1nc(no1)C 93c3930868a96b3f3944e3793b6fadf6 [0,1,0,0,0,1|1,1,0]=4 1062 B11R1.39 CCC(C)Oc1nnc(s1)C 2a8158f152b5aa8ee7dfeacabaafb69c [0,1,0,0,0,1|1,0,0]=3 1063 B11R1.39 CCC(C)On1cc(cn1)I 9a41dbbf9b3c98495bc24d0bcb5a5a0f [0,1,0,0,0,1|2,0,0]=4 1064 B11R1.39 CCN(C)Cc1cc(cs1)Br b825b47dad5a3fbace022ad61e64f19b [0,1,0,0,0,1|2,0,0]=4 1065 B11R1.39 CCN(C)Cc1cc(cs1)C faf527b244b298cea6ca5515d2805131 [0,1,0,0,0,1|2,0,0]=4 1066 B11R1.39 CCN(C)Cc1ccc(s1)Br 898655ae6ca32dee70261dc572f8c5e9 [0,1,0,0,0,1|2,0,0]=4 1067 B11R1.39 CCN(C)Cc1ccc(s1)C b501e51c3e0899d8f6f329a9a398b867 [0,1,0,0,0,1|2,0,0]=4 1068 B11R1.39 CCN(C)Cc1ccc(s1)Cl 1314d83e115e70eb31d26cb7c387b351 [0,1,0,0,0,1|2,0,0]=4 1069 B11R1.39 CCN(C)Cc1nc(cs1)Br 69e826e11336316c8ba3af03b2a82ef8 [0,1,0,0,0,1|1,0,0]=3 1070 B11R1.39 CCN(C)Cc1nc(cs1)C c4664662cd5d0ebefb0f68e94f9bd9ad [0,1,0,0,0,1|1,0,0]=3 1071 B11R1.39 CCN(C)Cc1ncc(s1)Br 117df036c3783dd376703afcdbb10e16 [0,1,0,0,0,1|1,0,0]=3 1072 B11R1.39 CCN(C)Cc1ncc(s1)C 6612abbfdb1c50c03e6268784dfe9684 [0,1,0,0,0,1|1,0,0]=3 1073 B11R1.39 CCN(C)Cc1ncc(s1)Cl d5e203de67f36fc014b1e502bceed336 [0,1,0,0,0,1|1,0,0]=3 1074 B11R1.39 CCN(C)Cc1nnc(s1)Br 174f3347b11213ff050b39a006778b3b [0,1,0,0,0,1|2,0,0]=4 1075 B11R1.39 CC[C@@H](C)Nc1coc(n1)N 5e92e4771895045366c73d3940d6a748 [0,1,0,0,0,1|2,0,0]=4 1076 B11R1.39 CC[C@H](C)Nc1coc(n1)N 9e808b8d26df17976e939745a10c17af [0,1,0,0,0,1|2,0,0]=4 1077 B11R1.39 C[C@@H](CO)Nc1ccc(s1)F bceecd1207150e2a2021351951a47bf5 [0,1,0,0,0,1|2,0,0]=4 1078 B11R1.39 C[C@@H](CO)Nc1nc(=S)ss1 a2e0daa49156ee92738ae7a3be61491a [0,1,0,0,0,1|2,0,0]=4 1079 B11R1.39 C[C@@H](CO)Nc1nc(c[nH]1)Br 786a01ebbb106e49c8ce0230d031b384 [0,1,0,0,0,1|2,0,0]=4 1080 B11R1.39 C[C@@H](CO)Nc1nc(co1)Br 46aaa35546be13aefea4340df0e1a0b8 [0,1,0,0,0,1|1,1,0]=4 1081 B11R1.39 C[C@@H](CO)Nc1nc(cs1)Cl a8b88a7114969ecfa9995eca982a961b [0,1,0,0,0,1|1,0,0]=3 1082 B11R1.39 C[C@@H](CO)Nc1nc(ns1)Br 1293c460d601d1ae48bbc7163123500d [0,1,0,0,0,1|2,0,0]=4 1083 B11R1.39 C[C@@H](CO)Nc1nc(ns1)Cl df7745abf8c522a882bbbbe2201ea23b [0,1,0,0,0,1|2,0,0]=4 1084 B11R1.39 C[C@@H](CO)Nc1nnc(s1)Br a9c4b6c44b2f7e981115c579d8582dd3 [0,1,0,0,0,1|2,0,0]=4 1085 B11R1.39 C[C@@H](CO)Nc1nnc(s1)Cl 3775f16721ddf02b41378c9915696b30 [0,1,0,0,0,1|2,0,0]=4 1086 B11R1.39 C[C@H](C=O)Nc1nc(cs1)Br 64e9030561a93c2a67a0cbb55388f4d2 [0,1,0,0,0,1|1,0,1]=4 1087 B11R1.39 C[C@H](C=O)Nc1nc(cs1)Cl 69411eef0d7e890c252f1e1672ed0e9a [0,1,0,0,0,1|1,0,1]=4 1088 B11R1.39 C[C@H](C=O)Nc1ncc(s1)Br f78f8e21e91da28d0fba1dc0811480df [0,1,0,0,0,1|1,0,1]=4 1089 B11R1.39 C[C@H](C=O)Nc1ncc(s1)Cl 5767cc9bcb380f471b92159f1d5e941f [0,1,0,0,0,1|1,0,1]=4 1090 B11R1.39 C[C@H](C=O)Nc1ncc(s1)F 01edf5468524e50038daf8c670c73426 [0,1,0,0,0,1|1,0,1]=4 1091 B11R1.39 C[C@H](C=O)Nc1ncc(s1)S 75812994a1d66880daa2aaf5cd212f89 [0,1,0,0,0,1|1,0,1]=4 1092 B11R1.39 C[C@H](C=O)Oc1nc(cs1)Br 4ce9980391bb292c6b0017a7b37c47e4 [0,1,0,0,0,1|1,0,1]=4 1093 B11R1.39 C[C@H](CO)Nc1ccc(s1)F e63ae3971a4afba7d33ad75030adb464 [0,1,0,0,0,1|2,0,0]=4 1094 B11R1.39 C[C@H](CO)Nc1nc(=S)ss1 bfb5e39592efd9c9f9edcdc16a6603b3 [0,1,0,0,0,1|2,0,0]=4 1095 B11R1.39 C[C@H](CO)Nc1nc(c[nH]1)Br 7c1ace295913f2b24c33dd5f9684fcf9 [0,1,0,0,0,1|2,0,0]=4 1096 B11R1.39 C[C@H](CO)Nc1nc(co1)Br 9a7883b8c42d6fb4cb50b8ac670bd34d [0,1,0,0,0,1|1,1,0]=4 1097 B11R1.39 C[C@H](CO)Nc1nc(cs1)Cl b831049d8f97cc36b1d62b736212287b [0,1,0,0,0,1|1,0,0]=3 1098 B11R1.39 C[C@H](CO)Nc1nc(ns1)Br b92698ea960bd50ec12cbf98e3e1c6f5 [0,1,0,0,0,1|2,0,0]=4 1099 B11R1.39 C[C@H](CO)Nc1nc(ns1)Cl bc4609c6463b9cea6b8911130f5c2ee6 [0,1,0,0,0,1|2,0,0]=4 1100 B11R1.39 C[C@H](CO)Nc1nnc(s1)Br 92b32234f6330b0c1a129a7c84a7e080 [0,1,0,0,0,1|2,0,0]=4 1101 B11R1.39 C[C@H](CO)Nc1nnc(s1)Cl ac2849143f0a6517abbe976ce6876495 [0,1,0,0,0,1|2,0,0]=4 1102 B11R1.39 Cc1ccc(s1)NC(C)CO dc879fc7b252b5714a04c3bffba27d4d [0,1,0,0,0,1|2,0,0]=4 1103 B11R1.39 Cc1cnc([nH]1)NC(C)CO c923752ba8450dc7998baf6b8a5848a1 [0,1,0,0,0,1|2,0,0]=4 1104 B11R1.39 Cc1cnc([nH]1)N[C@@H](C)CO d4bd622af60440e44f25df3529c07b00 [0,1,0,0,0,1|2,0,0]=4 1105 B11R1.39 Cc1cnc([nH]1)N[C@H](C)CO 7acad062f7788e51437093eaea36c762 [0,1,0,0,0,1|2,0,0]=4 1106 B11R1.39 Cc1cnc(o1)NC(C)CO 3df3103ce3293b6b7ff0ed3e9f51c0dd [0,1,0,0,0,1|1,1,0]=4 1107 B11R1.39 Cc1cnc(o1)N[C@@H](C)CO d7d4fd9a8e9cae58eb94229fde45e2c2 [0,1,0,0,0,1|1,1,0]=4 1108 B11R1.39 Cc1cnc(o1)N[C@H](C)CO 8202b40bcc3e750256b3c09fc1c3b8f9 [0,1,0,0,0,1|1,1,0]=4 1109 B11R1.39 Cc1cnc(s1)CN(C)CF 500dc6b19943f2914a06c39e61aff301 [0,1,0,0,0,1|2,0,0]=4 1110 B11R1.39 Cc1cnc(s1)CN(C)CO d1aed5f95bc4c75a9a9f6367f0612fd0 [0,1,0,0,0,1|2,0,0]=4 1111 B11R1.39 Cc1cnc(s1)NC(C)C=O 7879656acf93e221250cfbb58cf0ecc5 [0,1,0,0,0,1|1,0,1]=4 1112 B11R1.39 Cc1cnc(s1)N[C@H](C)C=O febd611b6dfbfea582fb12435c7d33a6 [0,1,0,0,0,1|1,0,1]=4 1113 B11R1.39 Cc1coc(n1)NC(C)CO b36da1af43971331f5144ae3e3082d2c [0,1,0,0,0,1|1,1,0]=4 1114 B11R1.39 Cc1coc(n1)N[C@@H](C)CO e1fbe6cb142dc6d404b34cd449811460 [0,1,0,0,0,1|1,1,0]=4 1115 B11R1.39 Cc1coc(n1)N[C@H](C)CO b10a7ca94f8783f6a87896985c0abbf3 [0,1,0,0,0,1|1,1,0]=4 1116 B11R1.39 Cc1csc(n1)NC(C)C=O a281e2f3e1eee9e660414331eaa14bc1 [0,1,0,0,0,1|1,0,1]=4 1117 B11R1.39 Cc1csc(n1)NC(C)CO f6e37a3852ec1567844b825a237e8cf3 [0,1,0,0,0,1|1,0,0]=3 1118 B11R1.39 Cc1csc(n1)N[C@@H](C)CO d3cf2e6f6223e95d14f3763380a98abd [0,1,0,0,0,1|1,0,0]=3 1119 B11R1.39 Cc1csc(n1)N[C@H](C)C=O 6f468ce83ffad4d1dc8b267ee38cc056 [0,1,0,0,0,1|1,0,1]=4 1120 B11R1.39 Cc1csc(n1)N[C@H](C)CO 33147a740009c6b5228abb8fa7a87344 [0,1,0,0,0,1|1,0,0]=3 1121 B11R1.39 Cc1nnc(s1)NC(C)CO 2b0577863b2f6a8bb8e620906c95c637 [0,1,0,0,0,1|2,0,0]=4 1122 B11R1.39 Cc1nnc(s1)N[C@@H](C)CO 9abaca275ac0032ed877eb5a9eea9030 [0,1,0,0,0,1|2,0,0]=4 1123 B11R1.39 Cc1nnc(s1)N[C@H](C)CO 29089f7b702abdedf3bbb54a5b6435e8 [0,1,0,0,0,1|2,0,0]=4 1124 B11R1.39 Cc1nsc(n1)NC(C)CO fe069248c55dedd83dcf249e8a3077f1 [0,1,0,0,0,1|2,0,0]=4 1125 B11R1.39 Cc1nsc(n1)N[C@@H](C)CO 2f9d58124662aca42728d4273b8ac1fa [0,1,0,0,0,1|2,0,0]=4 1126 B11R1.39 Cc1nsc(n1)N[C@H](C)CO ba8f65d739a2afe0d7dfdab0760fe11f [0,1,0,0,0,1|2,0,0]=4 1127 B11R1.84 C=C[C@@H](CO)Nc1nccs1 e8d2a6fc7377ca1132e2eb3d3d77c818 [0,1,0,0,0,1|0,0,2]=4 1128 B11R1.84 CCC(C=O)Nc1cccs1 407c745bc8e791618dfaf91966b9a1a2 [0,1,0,0,0,1|1,0,1]=4 1129 B11R1.84 CCC(C=O)Nc1ncc[nH]1 1c27db4b35502311d402f3cd4c228e94 [0,1,0,0,0,1|1,0,1]=4 1130 B11R1.84 CCC(C=O)Nc1ncco1 67e244687ce451528a586d9972cae7e5 [0,1,0,0,0,1|0,1,1]=4 1131 B11R1.84 CCC(C=O)Nc1nccs1 4ef0528b7e2260e86018cdc2fc528f61 [0,1,0,0,0,1|0,0,1]=3 1132 B11R1.84 CCC(C=O)Nc1ncns1 df80fe2a7889c057633561001ee330de [0,1,0,0,0,1|1,0,1]=4 1133 B11R1.84 CCC(C=O)Nc1nncs1 7ba0b5335746c78d0da68ea74d68e15f [0,1,0,0,0,1|1,0,1]=4 1134 B11R1.84 CCC(C=O)Oc1cccs1 bd02328a2639afb2aff9ff7abebb3a5a [0,1,0,0,0,1|1,0,1]=4 1135 B11R1.84 CCC(C=O)Oc1nccs1 98b797450d823eb6c64c6517f2afa2ba [0,1,0,0,0,1|0,0,1]=3 1136 B11R1.84 CCC(C=O)Oc1nncs1 68a4223643de043af6c8078dae0ffde9 [0,1,0,0,0,1|1,0,1]=4 1137 B11R1.84 CCC(CC)Nc1c[nH]cn1 ad4acc124a48448b87bdaa5267419a30 [0,1,0,0,0,1|2,0,0]=4 1138 B11R1.84 CCC(CC)Nc1cc[nH]n1 f8d0479ad17d4ee458931cc9ebb3d3e6 [0,1,0,0,0,1|2,0,0]=4 1139 B11R1.84 CCC(CC)Nc1ccns1 921aae15f141e8c6b3616f667759bc48 [0,1,0,0,0,1|2,0,0]=4 1140 B11R1.84 CCC(CC)Nc1ccon1 f9dc6391e9a35fb9989283e2988eaebc [0,1,0,0,0,1|2,0,0]=4 1141 B11R1.84 CCC(CC)Nc1cncs1 9a0374811ab9023327b6bcd6f489d91f [0,1,0,0,0,1|2,0,0]=4 1142 B11R1.84 CCC(CC)Nc1cocn1 78d2fc35a4914a1f6caecad6bcdf9120 [0,1,0,0,0,1|2,0,0]=4 1143 B11R1.84 CCC(CC)Nc1cscn1 2148681ba37b0a2d6708163c64294104 [0,1,0,0,0,1|2,0,0]=4 1144 B11R1.84 CCC(CC)Nc1nc[nH]n1 4db350288ef9ef674db2397c2e90da7a [0,1,0,0,0,1|2,0,0]=4 1145 B11R1.84 CCC(CC)Nc1ncc[nH]1 95d679476c7a92b67899b41420676a85 [0,1,0,0,0,1|1,0,0]=3 1146 B11R1.84 CCC(CC)Nc1ncco1 51433fe584ff032fbbc7fd33c97fecf7 [0,1,0,0,0,1|0,1,0]=3 1147 B11R1.84 CCC(CC)Nc1nccs1 6830cdff3c2f2e92f394a8a6b96040e0 [0,1,0,0,0,1|0,0,0]=2 1148 B11R1.84 CCC(CC)Nc1ncns1 7f90a80169b43eac16863d6514a4af83 [0,1,0,0,0,1|1,0,0]=3 1149 B11R1.84 CCC(CC)Nc1ncon1 30f3c18b28d60fe07894c42f7f3659a6 [0,1,0,0,0,1|2,0,0]=4 1150 B11R1.84 CCC(CC)Nc1nnco1 521d5d03211cc97eec0d57241d4aac88 [0,1,0,0,0,1|1,1,0]=4 1151 B11R1.84 CCC(CC)Nc1nncs1 a5d6dd2fa1a48c52b1e0f12ab07eea58 [0,1,0,0,0,1|1,0,0]=3 1152 B11R1.84 CCC(CC)Nc1nnns1 2ed8941c0c9ef962a6a35c766e613260 [0,1,0,0,0,1|2,0,0]=4 1153 B11R1.84 CCC(CC)Oc1c[nH]cn1 9e06507cfa9877d37b8830d7f18dd8f3 [0,1,0,0,0,1|2,0,0]=4 1154 B11R1.84 CCC(CC)Oc1ccco1 065cfefdf796c721d4faae9d0f33c5d7 [0,1,0,0,0,1|1,1,0]=4 1155 B11R1.84 CCC(CC)Oc1nccs1 1f82729e6f468623f79f90c2456307dc [0,1,0,0,0,1|0,0,0]=2 1156 B11R1.84 CCC(CC)Oc1nncs1 574ddb41e33717295b7628b5963f32d9 [0,1,0,0,0,1|1,0,0]=3 1157 B11R1.84 CCC(CC)On1cccn1 959d10c0548f3450733debc8321c5105 [0,1,0,0,0,1|2,0,0]=4 1158 B11R1.84 CCC(CO)Nc1c[nH]cn1 3da7a5e8f89b344e70f52c1a623b923b [0,1,0,0,0,1|2,0,0]=4 1159 B11R1.84 CCC(CO)Nc1cc[nH]n1 7ba0db03b09a674c4311f491ce37791d [0,1,0,0,0,1|2,0,0]=4 1160 B11R1.84 CCC(CO)Nc1ccns1 25f993d1081baf46df44dbf4321ae4fa [0,1,0,0,0,1|2,0,0]=4 1161 B11R1.84 CCC(CO)Nc1ccon1 155d1ecb3f8443a76724670b646adfc3 [0,1,0,0,0,1|2,0,0]=4 1162 B11R1.84 CCC(CO)Nc1cncs1 e173fe7309b4e1cbd9d1a75fd9cc65c5 [0,1,0,0,0,1|2,0,0]=4 1163 B11R1.84 CCC(CO)Nc1cscn1 5e285bfb03e2a23659f08786d4c5e408 [0,1,0,0,0,1|2,0,0]=4 1164 B11R1.84 CCC(CO)Nc1nc[nH]n1 a4b56609669b76434ae632480c57925b [0,1,0,0,0,1|2,0,0]=4 1165 B11R1.84 CCC(CO)Nc1ncco1 5bf153c9de9ab0b95064a9c31b6963c1 [0,1,0,0,0,1|0,1,0]=3 1166 B11R1.84 CCC(CO)Nc1nccs1 f2d0a5c746a524be2bee9103eda54825 [0,1,0,0,0,1|0,0,0]=2 1167 B11R1.84 CCC(CO)Nc1ncns1 146ab6d4be9362e6107796612faa60a1 [0,1,0,0,0,1|1,0,0]=3 1168 B11R1.84 CCC(CO)Nc1nnco1 b73095345a6beee8992954fd7350e621 [0,1,0,0,0,1|1,1,0]=4 1169 B11R1.84 CCC(CO)Nc1nncs1 9f3b001fb978c645a3594530c20e6c42 [0,1,0,0,0,1|1,0,0]=3 1170 B11R1.84 CCC(CO)Nc1nnns1 bcef5de10fca3efbaa2954e242b68afd [0,1,0,0,0,1|2,0,0]=4 1171 B11R1.84 CC[C@@H](CO)Nc1c[nH]cn1 3a07499acfba7d2d0c93fdf017683a8b [0,1,0,0,0,1|2,0,0]=4 1172 B11R1.84 CC[C@@H](CO)Nc1ccns1 5f82215073368e7212977b42e5ef580e [0,1,0,0,0,1|2,0,0]=4 1173 B11R1.84 CC[C@@H](CO)Nc1ncco1 fc3ebc8c128f782a5a544bb685004309 [0,1,0,0,0,1|0,1,0]=3 1174 B11R1.84 CC[C@@H](CO)Nc1nccs1 2bb44050664aa0b95595948822d2f31e [0,1,0,0,0,1|0,0,0]=2 1175 B11R1.84 CC[C@H](CO)Nc1c[nH]cn1 1ddaa95b32aa1874ab576da713368819 [0,1,0,0,0,1|2,0,0]=4 1176 B11R1.84 CC[C@H](CO)Nc1ccns1 e6c761f57a57c1b96b07a15c5f0a3844 [0,1,0,0,0,1|2,0,0]=4 1177 B11R1.84 CC[C@H](CO)Nc1ncco1 eb400b33018235f318430064c031fd10 [0,1,0,0,0,1|0,1,0]=3 1178 B11R1.84 CC[C@H](CO)Nc1nccs1 11b185952ee5f74895c077845f51ef5b [0,1,0,0,0,1|0,0,0]=2 1179 B11R1.84 OCC(CO)Nc1ncc[nH]1 eb3771e6eab887ee47c03a201d7a85fb [0,1,0,0,0,1|2,0,0]=4 1180 B11R1.84 OCC(CO)Nc1ncco1 c31a4d5dd76bb36a07e1b880aaeaaa0a [0,1,0,0,0,1|1,1,0]=4 1181 B11R1.84 OCC(CO)Nc1nccs1 8d870dda092ebd64932d1c65194c8501 [0,1,0,0,0,1|1,0,0]=3 1182 B11R1.84 OCC(CO)Nc1ncns1 f485e5b4b46de678f1138961bef1285f [0,1,0,0,0,1|2,0,0]=4 1183 B11R1.84 OCC(CO)Nc1nncs1 2e1ccaa1e25055718955ce09c76fd42e [0,1,0,0,0,1|2,0,0]=4 1184 B11R1.84 OCC(CO)Oc1cccs1 8fcc872611215f0503196ff7cc94ca3b [0,1,0,0,0,1|2,0,0]=4 1185 B11R1.84 OCC(CO)Oc1nccs1 5635ba9255e299c35a94a14d5baab60b [0,1,0,0,0,1|1,0,0]=3 1186 B11R1.84 OCC(CO)Oc1nncs1 604195de06d1452656e44eceaa79ee32 [0,1,0,0,0,1|2,0,0]=4 1187 B11R1.136 CC(C)(C#N)Nc1nccs1 dfe24060aba6bc03da7abfc26ef66ef4 [0,1,0,0,0,1|1,0,1]=4 1188 B11R1.136 CC(C)(CF)Nc1ncco1 3961e0e4d0fa571e7db39001df1375c0 [0,1,0,0,0,1|1,1,0]=4 1189 B11R1.136 CC(C)(CF)Nc1nccs1 04cb3726ea2fccce32edcf52e2951749 [0,1,0,0,0,1|1,0,0]=3 1190 B11R1.136 CC(C)(CO)Nc1ncco1 fdb64b213bccb634045b07d67e752937 [0,1,0,0,0,1|1,1,0]=4 1191 B11R1.136 CC(C)(CO)Nc1nccs1 f4c34a745d448ce60ef5cc48505cebd9 [0,1,0,0,0,1|1,0,0]=3 1192 B11R1.228 CC(CO)Nc1nccn1C e53407ee76b3aebf390b3d6cb8892e5e [0,1,0,0,0,1|2,0,0]=4 1193 B11R1.228 CCC(C)Nc1n[nH]cc1Br 78807995abd3f6732f6cc0f0a8259784 [0,1,0,0,0,1|2,0,0]=4 1194 B11R1.228 CCC(C)Nc1n[nH]cc1C 20acc2eeef438b43cbd51a045edee7d9 [0,1,0,0,0,1|2,0,0]=4 1195 B11R1.228 CCC(C)Nc1n[nH]cc1Cl 2e5b19c2e56091dc1f04073031444208 [0,1,0,0,0,1|2,0,0]=4 1196 B11R1.228 CCC(C)Nc1n[nH]cc1I 83d813beca6092eff11f12f36d4ecc68 [0,1,0,0,0,1|2,0,0]=4 1197 B11R1.228 CCC(C)Nc1n[nH]cc1N 756dfbc079fb5b48d833c7374895ea1f [0,1,0,0,0,1|2,0,0]=4 1198 B11R1.228 CCC(C)Nc1nccn1C a8d492633e85b115d4ce3171b27e2b0a [0,1,0,0,0,1|1,0,0]=3 1199 B11R1.228 CCC(C)Nc1nocc1C 642a7fffd61e9e502b8df8be06b7b1d2 [0,1,0,0,0,1|2,0,0]=4 1200 B11R1.228 CCC(C)Nc1nocc1Cl ff14cd8265145fa96d93e55bac913759 [0,1,0,0,0,1|2,0,0]=4 1201 B11R1.228 CCC(C)Nc1scnc1C f8eec397733a239bcfd4bc69c3ebfda4 [0,1,0,0,0,1|2,0,0]=4 1202 B11R1.228 CCC(C)Oc1cccn1C e762a2d4b9c8b23fd329e439a70cec5c [0,1,0,0,0,1|1,0,1]=4 1203 B11R1.228 CCC(C)Oc1n[nH]cc1C 40f02330819ff27c4942babdf8b011a2 [0,1,0,0,0,1|2,0,0]=4 1204 B11R1.228 CCC(C)Oc1nocc1Br 4b6a764326ad3607aedc1baf0d2b40dd [0,1,0,0,0,1|2,0,0]=4 1205 B11R1.228 CCN(C)Cc1nccn1C 5e2a95e7e684835b3bf987834a23bfdd [0,1,0,0,0,1|2,0,0]=4 1206 B11R1.228 CC[C@@H](C)Nc1n[nH]cc1N 415e04a347f7b3c838c50c26c8d8770a [0,1,0,0,0,1|2,0,0]=4 1207 B11R1.228 CC[C@H](C)Nc1n[nH]cc1N 74ba60c635b70c564a27cdcba785719e [0,1,0,0,0,1|2,0,0]=4 1208 B11R1.228 C[C@@H](CO)Nc1nccn1C 900037198e9506c2689a3414520639f2 [0,1,0,0,0,1|2,0,0]=4 1209 B11R1.228 C[C@H](CO)Nc1nccn1C 7ca54986986a194cdb0fc31d07a7a3a8 [0,1,0,0,0,1|2,0,0]=4 1210 B11R1.33 CC(C)(NCF)c1cccs1 2c47543c4baa909c0be1beff14312025 [0,2,0,0,0,0|2,0,0]=4 1211 B11R1.33 CC(C)(NCF)c1nccs1 a7f53e1898266f96d9f0047ef54a0dbf [0,2,0,0,0,0|1,0,0]=3 1212 B11R1.33 CC(C)(NCO)c1cccs1 f09ad77c03725678365f6e4398d7d6bb [0,2,0,0,0,0|2,0,0]=4 1213 B11R1.33 CC(C)(NCO)c1nccs1 9cd94e8e7b7942304666acd3c9ccdbdb [0,2,0,0,0,0|1,0,0]=3 1214 B11R1.33 CC(C)(OCF)c1ncc[nH]1 7ffadf2202007655d8f0f423fa320202 [0,2,0,0,0,0|2,0,0]=4 1215 B11R1.33 CC(C)(OCF)c1nccs1 7ca426fde4747b3ad49f19d1ced807d9 [0,2,0,0,0,0|1,0,0]=3 1216 B11R1.33 CCNC(C)(C)c1cccs1 315dc65782e8453019cf1f6532611206 [0,2,0,0,0,0|1,0,0]=3 1217 B11R1.33 CCNC(C)(C)c1nccs1 22e1748edc609aba33d7ffe265124801 [0,2,0,0,0,0|0,0,0]=2 1218 B11R1.33 CCOC(C)(C)c1cc[nH]n1 da69a15c7c37d1aaf370202b221054dd [0,2,0,0,0,0|2,0,0]=4 1219 B11R1.33 CCOC(C)(C)c1ncc[nH]1 28953a2dc2eb7d6a2cb76ba3d883ce56 [0,2,0,0,0,0|1,0,0]=3 1220 B11R1.33 CCOC(C)(C)c1nccs1 d65ad81a1a20bdecd340e8e65f7e3c28 [0,2,0,0,0,0|0,0,0]=2 1221 B11R1.2 C#CCN(CC)c1nccs1 840586f1b075c572748163bfcf7cfffd [0,2,0,0,0,0|1,0,0]=3 1222 B11R1.2 C=CCN(CC)c1nccs1 6f48b267339018c5930c3b7eb5c0e0f0 [0,2,0,0,0,0|1,0,0]=3 1223 B11R1.2 CCC(NC=O)c1cccs1 4619968d1ad7911654c874b0696a6526 [0,2,0,0,0,0|1,0,1]=4 1224 B11R1.2 CCC(NCF)c1ccco1 7cd9d817101d5e2fd4811ba0d6aab99b [0,2,0,0,0,0|1,1,0]=4 1225 B11R1.2 CCC(NCF)c1cccs1 fc4698c7aac184aebf4bdcad093cf19e [0,2,0,0,0,0|1,0,0]=3 1226 B11R1.2 CCC(NCO)c1ccco1 d557aee6d556e2effeb99b685b1be801 [0,2,0,0,0,0|1,1,0]=4 1227 B11R1.2 CCC(NCO)c1cccs1 c0b2ad0f9017bc65adc55d22020263b9 [0,2,0,0,0,0|1,0,0]=3 1228 B11R1.2 CCC(OCF)c1ccco1 ac337bac6fb9bd0ac14ac4bc9f5cd638 [0,2,0,0,0,0|1,1,0]=4 1229 B11R1.2 CCCN(CC)c1nccs1 80e9aa16946b0e91ec22eece0baca7c2 [0,2,0,0,0,0|1,0,0]=3 1230 B11R1.2 CCN(CC#N)c1ncco1 8fe4b43387d96e61af25bb6db3a7a0fa [0,2,0,0,0,0|1,1,0]=4 1231 B11R1.2 CCN(CC#N)c1nccs1 b1f6008fd678b6246b171f133346f9b5 [0,2,0,0,0,0|1,0,0]=3 1232 B11R1.2 CCN(CC=O)c1nccs1 dc6704ee2b9f717824a9a56cb8b03fc1 [0,2,0,0,0,0|1,0,0]=3 1233 B11R1.2 CCN(CCCl)c1ncco1 b0ab568596664fed3b6c417e69a09ec7 [0,2,0,0,0,0|1,1,0]=4 1234 B11R1.2 CCN(CCF)c1nccs1 fefb402e8c4eedf949601f153543b1e0 [0,2,0,0,0,0|1,0,0]=3 1235 B11R1.2 CCN(CCO)c1ncco1 b44db9f587bb7e0364eef82c3bb0ea12 [0,2,0,0,0,0|1,1,0]=4 1236 B11R1.2 CCN(CCO)c1nccs1 6bfc1baf117d889733bf33b092c0f6ba [0,2,0,0,0,0|1,0,0]=3 1237 B11R1.2 CCN(CCS)c1nccs1 bcd372add8e850beb6c80513988d7137 [0,2,0,0,0,0|1,0,0]=3 1238 B11R1.2 CCN(COC)c1nccs1 8b67a4cdcc22de615ad43125e1ab9bcc [0,2,0,0,0,0|1,0,0]=3 1239 B11R1.2 CCN(CSC)c1nccs1 a6551d71d100d2a5c20a14b438a5eff9 [0,2,0,0,0,0|1,0,0]=3 1240 B11R1.2 CCNC(CC)c1ccco1 d9957093663ca1628850ab1b41e745f2 [0,2,0,0,0,0|1,1,0]=4 1241 B11R1.2 CCNC(CC)c1cccs1 779e2ee9b925f47b48ecbceb1e2abe88 [0,2,0,0,0,0|1,0,0]=3 1242 B11R1.2 CCOC(CC)c1ccco1 366fc859f101fd1b46dbaf490df0422e [0,2,0,0,0,0|1,1,0]=4 1243 B11R1.2 O=CN(CCO)c1nccs1 f21687732428922b0ab239695ff26982 [0,2,0,0,0,0|1,0,1]=4 1244 B11R1.2 OCCN(CF)c1nccs1 a9e96058465c30648689be3ab7089cfc [0,2,0,0,0,0|1,0,0]=3 1245 B11R1.2 OCCN(CO)c1ncco1 9f1a2fdb79176381b27c62cd77b12df6 [0,2,0,0,0,0|1,1,0]=4 1246 B11R1.2 OCCN(CO)c1nccs1 27824e698eb8a99937955758d129b3c1 [0,2,0,0,0,0|1,0,0]=3 1247 B11R1.298 CCN(C(=O)C)c1nccs1 5ccfdf6a73048790564efab216a4287f [0,2,0,0,0,0|1,0,0]=3 1248 B11R1.298 CCN(c1nccs1)C(C)C a7b6155b209a40e96620449e0ade15bc [0,2,0,0,0,0|1,0,0]=3 1249 B11R1.15 C#CCN(C)c1nc(cs1)C 51c7e028c55fbb8b6fd8c91828b2fba5 [0,2,0,0,0,0|1,0,1]=4 1250 B11R1.15 C#CCN(C)c1ncc(s1)Br 756837d8460b858e28d52f48a169932c [0,2,0,0,0,0|1,0,1]=4 1251 B11R1.15 C#CCN(C)c1ncc(s1)C bfa835159269bef710c78b2809304326 [0,2,0,0,0,0|1,0,1]=4 1252 B11R1.15 C=CCN(C)c1nc(cs1)C ad0354d3cf7a819b429d5707067ade72 [0,2,0,0,0,0|1,0,1]=4 1253 B11R1.15 C=CCN(C)c1ncc(s1)Br a042200029900f723a634880530a4985 [0,2,0,0,0,0|1,0,1]=4 1254 B11R1.15 C=CCN(C)c1ncc(s1)C 6589dfda8607dcf7dbfd93312db1106b [0,2,0,0,0,0|1,0,1]=4 1255 B11R1.15 CC(NCF)c1ccc(s1)Cl 0942fe8b65c25a9b459973b585f25f74 [0,2,0,0,0,0|2,0,0]=4 1256 B11R1.15 CC(NCF)c1nc(cs1)Br 0b774898ec584940f340bdc552eb5ef7 [0,2,0,0,0,0|1,0,0]=3 1257 B11R1.15 CC(NCO)c1ccc(s1)Br d54d5f6823354355f971a36c938679e4 [0,2,0,0,0,0|2,0,0]=4 1258 B11R1.15 CC(NCO)c1ccc(s1)Cl 57e6914a00a033b43fbbdeb1d8386e92 [0,2,0,0,0,0|2,0,0]=4 1259 B11R1.15 CC(NCO)c1nc(cs1)Br a91dbe8672c12860ed90425365bd7070 [0,2,0,0,0,0|1,0,0]=3 1260 B11R1.15 CC(OCF)c1cc(cs1)Br 11950a5c65c80ccf783bb6ec730b2e0f [0,2,0,0,0,0|2,0,0]=4 1261 B11R1.15 CCCN(C)c1nnc(s1)Br 974b1cedfcf5c026f2c46c3ad2a8027b [0,2,0,0,0,0|2,0,0]=4 1262 B11R1.15 CCNC(C)c1ccc(o1)C 271fa2414ba38777da155b2209a86869 [0,2,0,0,0,0|1,1,0]=4 1263 B11R1.15 CCNC(C)c1ccc(s1)Cl 66abf0f6be9f2eb31b9bec3ad0e85c0c [0,2,0,0,0,0|1,0,0]=3 1264 B11R1.15 CCNC(C)c1ccn(n1)C 55da36346644995687217e25d47b4e66 [0,2,0,0,0,0|2,0,0]=4 1265 B11R1.15 CCNC(C)c1cnc(s1)Br 404b9f47fb5a82165a6956d84da05b59 [0,2,0,0,0,0|2,0,0]=4 1266 B11R1.15 CCNC(C)c1csc(n1)C 1a3c61757fda7fd1305bf61b80fe5903 [0,2,0,0,0,0|2,0,0]=4 1267 B11R1.15 CCNC(C)c1nc(cs1)Br 6440d58009be8ba9617c47dfadaf229e [0,2,0,0,0,0|0,0,0]=2 1268 B11R1.15 CCNC(C)c1nc(cs1)C c0800284df9a81c4a3d7a957648780a0 [0,2,0,0,0,0|0,0,0]=2 1269 B11R1.15 CCN[C@@H](C)c1cc(cs1)Br a03f0f5dda4687c5a005063d202e3789 [0,2,0,0,0,0|1,0,0]=3 1270 B11R1.15 CCN[C@@H](C)c1ccc(s1)C 76dc688fef2034a18aac583543456784 [0,2,0,0,0,0|1,0,0]=3 1271 B11R1.15 CCN[C@@H](C)c1nc(no1)C 72b0993cf5fbae5c9737fe50779b0450 [0,2,0,0,0,0|1,1,0]=4 1272 B11R1.15 CCN[C@@H](C)c1ncc(s1)Br a3dbca415037c1a8555c39ef42e931e5 [0,2,0,0,0,0|0,0,0]=2 1273 B11R1.15 CCN[C@H](C)c1cc(cs1)Br c52f63d83a234a41131b87b3f8ab6a52 [0,2,0,0,0,0|1,0,0]=3 1274 B11R1.15 CCN[C@H](C)c1ccc(o1)C 80275e4369678ae65bb7c97b72d2eff4 [0,2,0,0,0,0|1,1,0]=4 1275 B11R1.15 CCN[C@H](C)c1ccc(s1)Cl 52b08b2c81e2fe2b6ac613491e97a89d [0,2,0,0,0,0|1,0,0]=3 1276 B11R1.15 CCOC(C)c1cc(cs1)Br cc9adda22c72e5bd3d4c5625af24cf10 [0,2,0,0,0,0|1,0,0]=3 1277 B11R1.15 CCOC(C)c1ccc(s1)Cl 621b63a263cd3ee7b700f221fac7e410 [0,2,0,0,0,0|1,0,0]=3 1278 B11R1.15 CCOC(C)c1ccn(n1)C 4c4b4d99ea07129f6edb2cedf5a6487e [0,2,0,0,0,0|2,0,0]=4 1279 B11R1.15 CCOC(C)c1cn(cn1)C 94c2e09371d1c4fb097f331701d254e2 [0,2,0,0,0,0|2,0,0]=4 1280 B11R1.15 CCOC(C)c1cnc(s1)C 03ed4d176012cff18929341835ae8ec3 [0,2,0,0,0,0|2,0,0]=4 1281 B11R1.15 CCOC(C)c1nc(cs1)Br c69a76957d01974c79bb219df10aa56f [0,2,0,0,0,0|0,0,0]=2 1282 B11R1.15 CCOC(C)c1nc(cs1)C 3ce9fdada1dccfb943097dfa4a220595 [0,2,0,0,0,0|0,0,0]=2 1283 B11R1.15 CCOC(C)c1nc(no1)C 31cd69e564173a5b3b18063fc886ef4d [0,2,0,0,0,0|1,1,0]=4 1284 B11R1.15 CCO[C@@H](C)c1cc(cs1)Br a16496dcafdb82956d4e8e272046d152 [0,2,0,0,0,0|1,0,0]=3 1285 B11R1.15 CCO[C@H](C)c1cc(cs1)Br aba6dc86255d6e8b8c3d1609c1b6b973 [0,2,0,0,0,0|1,0,0]=3 1286 B11R1.15 CCO[C@H](C)c1ccc(s1)C 73fe9fde851268694bf30cccd01f47df [0,2,0,0,0,0|1,0,0]=3 1287 B11R1.15 CN(CC#N)c1ncc(s1)Br e5680ca3479a1bb83aeafa658d7da6c6 [0,2,0,0,0,0|1,0,1]=4 1288 B11R1.15 CN(CC=O)c1ncc(s1)Br 1ee1c82be71c4061902fd23cde400e3d [0,2,0,0,0,0|1,0,1]=4 1289 B11R1.15 CN(CCF)c1nnc(s1)Br 014bf768f8c6553ec5268866a77899f7 [0,2,0,0,0,0|2,0,0]=4 1290 B11R1.15 CN(CCO)c1ccc(s1)F 15251ca9c556b99aa3b6e47403d81668 [0,2,0,0,0,0|2,0,0]=4 1291 B11R1.15 CN(CCO)c1nnc(s1)Br 37e7670d0bdcac3dd6220f6ffe9f91e6 [0,2,0,0,0,0|2,0,0]=4 1292 B11R1.15 CN(CCS)c1nnc(s1)Br d1e1e06add665916330c5892d6d33d50 [0,2,0,0,0,0|2,0,0]=4 1293 B11R1.15 COCN(C)c1nc(cs1)C 2603e1f268c27e170c641f0fa17e93d4 [0,2,0,0,0,0|1,0,0]=3 1294 B11R1.15 COCN(C)c1nc(ns1)Br b7aad5efe5262d43a4aa693f7726d21b [0,2,0,0,0,0|2,0,0]=4 1295 B11R1.15 COCN(C)c1nc(ns1)C 05d1540b7373a88b48bc56e974e32162 [0,2,0,0,0,0|2,0,0]=4 1296 B11R1.15 COCN(C)c1ncc(s1)Br 0080813b3404366d73d1185d18ebd4ab [0,2,0,0,0,0|1,0,0]=3 1297 B11R1.15 COCN(C)c1ncc(s1)C da5a1b7b7412ff076f5174dd65a16e3c [0,2,0,0,0,0|1,0,0]=3 1298 B11R1.15 COCN(C)c1nnc(s1)Br a46e0e06494cfe4b9a079c3c0a6f3ab5 [0,2,0,0,0,0|2,0,0]=4 1299 B11R1.15 COCN(C)c1nnc(s1)C 2db89f3e693029a24527830d2dc1db1b [0,2,0,0,0,0|2,0,0]=4 1300 B11R1.15 COCN(C)c1nnc(s1)S ae635235fc71808a90e9e50e5207f4d9 [0,2,0,0,0,0|2,0,0]=4 1301 B11R1.15 CSCN(C)c1nc(cs1)C f2fd45ad57b4229d3b9f83e2d7d8598a [0,2,0,0,0,0|1,0,0]=3 1302 B11R1.15 CSCN(C)c1nc(ns1)C 71ce982c3dc2478dd74293a71b8045ec [0,2,0,0,0,0|2,0,0]=4 1303 B11R1.15 CSCN(C)c1ncc(s1)C c34885014f5e32722b65454932f8cd49 [0,2,0,0,0,0|1,0,0]=3 1304 B11R1.15 CSCN(C)c1nnc(s1)Br 7edcdc936ac49243e797bfe8c945b9dc [0,2,0,0,0,0|2,0,0]=4 1305 B11R1.15 CSCN(C)c1nnc(s1)C 585130fe1307b817665275f887ec559a [0,2,0,0,0,0|2,0,0]=4 1306 B11R1.15 C[C@@H](NCF)c1cc(cs1)Br e9f1727db9322166551397eacddb8edf [0,2,0,0,0,0|2,0,0]=4 1307 B11R1.15 C[C@@H](NCF)c1ccc(s1)Cl 43ac70812b5bddcb38a6715e5760d8d2 [0,2,0,0,0,0|2,0,0]=4 1308 B11R1.15 C[C@@H](NCO)c1cc(cs1)Br 670cad645205bc3022d99f3eaccd8a3b [0,2,0,0,0,0|2,0,0]=4 1309 B11R1.15 C[C@@H](NCO)c1ccc(s1)Br 8388932cad03f7944ffc7f0d289e23e0 [0,2,0,0,0,0|2,0,0]=4 1310 B11R1.15 C[C@@H](NCO)c1ccc(s1)Cl 4cbc45699a74fc923727a63ac2774297 [0,2,0,0,0,0|2,0,0]=4 1311 B11R1.15 C[C@@H](OCF)c1cc(cs1)Br bdd880b1c5ececf5eb5136ab6c03245c [0,2,0,0,0,0|2,0,0]=4 1312 B11R1.15 C[C@H](NCF)c1cc(cs1)Br 024e7dcbddc90ff440637b692a2c7408 [0,2,0,0,0,0|2,0,0]=4 1313 B11R1.15 C[C@H](NCF)c1ncc(s1)Br a8365ef653c1c899875321bc0c5fc5ba [0,2,0,0,0,0|1,0,0]=3 1314 B11R1.15 C[C@H](NCO)c1cc(cs1)Br b1a46200d0414693e80712e5777c757e [0,2,0,0,0,0|2,0,0]=4 1315 B11R1.15 C[C@H](NCO)c1ncc(s1)Br 963f252be2660f3be808c1a4ad025063 [0,2,0,0,0,0|1,0,0]=3 1316 B11R1.15 C[C@H](OCF)c1cc(cs1)Br 8192c10bc35784f7e1fc03285554f81e [0,2,0,0,0,0|2,0,0]=4 1317 B11R1.15 Cc1ccc(s1)[C@@H](C)OCF 1ec42c43f8ce756ed3b5c41eb9609322 [0,2,0,0,0,0|2,0,0]=4 1318 B11R1.15 Cc1ccc(s1)[C@H](C)NCF cb0effb8bcb48d58ec77b40bcdd2f5f2 [0,2,0,0,0,0|2,0,0]=4 1319 B11R1.15 Cc1ccc(s1)[C@H](C)NCO fbbca7267cbefd417368de8438ff827d [0,2,0,0,0,0|2,0,0]=4 1320 B11R1.15 Cc1cnc(o1)N(C)CCO f8d49e49cd73af018328acbd2c92c5ca [0,2,0,0,0,0|1,1,0]=4 1321 B11R1.15 Cc1cnc(s1)N(C)CC#N 85118acbc44fb196f7c682f916410f90 [0,2,0,0,0,0|1,0,1]=4 1322 B11R1.15 Cc1cnc(s1)N(C)CC=O 5c2f07025672c5354b2f5e8d2c3f9b09 [0,2,0,0,0,0|1,0,1]=4 1323 B11R1.15 Cc1cnc(s1)N(C)CCO 5913e20be927220caa66db19fd76f223 [0,2,0,0,0,0|1,0,0]=3 1324 B11R1.15 Cc1cnc(s1)N(C)CCS 9396ba5e441c48dd26969e15fb7eb78d [0,2,0,0,0,0|1,0,0]=3 1325 B11R1.15 Cc1csc(n1)C(C)NC=O ad3812304f97cf49818efccf711dd22d [0,2,0,0,0,0|1,0,1]=4 1326 B11R1.15 Cc1csc(n1)C(C)NCF dd359982d8620ce67f368172cdd8a78f [0,2,0,0,0,0|1,0,0]=3 1327 B11R1.15 Cc1csc(n1)C(C)NCO a6d89b2f7b69b927eabb7858c5d5399d [0,2,0,0,0,0|1,0,0]=3 1328 B11R1.15 Cc1csc(n1)N(C)CC#N d21b76c18eda4c968b7a6d307c5c236b [0,2,0,0,0,0|1,0,1]=4 1329 B11R1.15 Cc1csc(n1)N(C)CC=O d72e9d65e0a7a3452944bcd02605e8d8 [0,2,0,0,0,0|1,0,1]=4 1330 B11R1.15 Cc1csc(n1)N(C)CCS f9f14094c7c85c12e8639ce4474044bf [0,2,0,0,0,0|1,0,0]=3 1331 B11R1.15 Cc1nnc(s1)N(C)CCF 2edbcf7e8399bc996f29253ab82b04b5 [0,2,0,0,0,0|2,0,0]=4 1332 B11R1.15 Cc1nnc(s1)N(C)CCO 565ee7fa83df6f76c07995bb292e35ad [0,2,0,0,0,0|2,0,0]=4 1333 B11R1.15 Cc1nnc(s1)N(C)CCS 332dc22d05c884c16e93921f8c94e38c [0,2,0,0,0,0|2,0,0]=4 1334 B11R1.15 Cc1nsc(n1)N(C)CCS 6210aeff7da14998c8e142ab88aba204 [0,2,0,0,0,0|2,0,0]=4 1335 B11R1.29 C#CCCN(C)c1ncc[nH]1 30bc44cdb42cd329df1385bd6760d547 [0,2,0,0,0,0|2,0,0]=4 1336 B11R1.29 C#CCCN(C)c1ncco1 7e33df3b31243199978764a3b559d021 [0,2,0,0,0,0|1,1,0]=4 1337 B11R1.29 C#CCCN(C)c1nccs1 5e52a7ecf5741fb2438623eaaa2ea0ee [0,2,0,0,0,0|1,0,0]=3 1338 B11R1.29 C#CCCN(C)c1nncs1 5e9fbc9b6328536754bdf59c5c4cd577 [0,2,0,0,0,0|2,0,0]=4 1339 B11R1.29 C#CCNC(C)c1cccs1 5da2998f239113dd03f9348160b6a1dc [0,2,0,0,0,0|1,0,1]=4 1340 B11R1.29 C#CCNC(C)c1ncco1 43827806c9adbae2f86d6d2cd8982568 [0,2,0,0,0,0|0,1,1]=4 1341 B11R1.29 C#CCNC(C)c1nccs1 b02468308a8573c5653eb50089253338 [0,2,0,0,0,0|0,0,1]=3 1342 B11R1.29 C#CCN[C@@H](C)c1cccs1 028da2bcd9352fee6e9df161a2fa2116 [0,2,0,0,0,0|1,0,1]=4 1343 B11R1.29 C#CCN[C@@H](C)c1nccs1 a8552d4103e37fb5cc2cf5a2134864f5 [0,2,0,0,0,0|0,0,1]=3 1344 B11R1.29 C#CCN[C@H](C)c1cccs1 8445aada8c3b0c517ece068c07465635 [0,2,0,0,0,0|1,0,1]=4 1345 B11R1.29 C#CCOC(C)c1cccs1 1efec90f1cef067d0088136301196a42 [0,2,0,0,0,0|1,0,1]=4 1346 B11R1.29 C#CCOC(C)c1ncc[nH]1 5d7bf882bef558672c19ec6d727815a2 [0,2,0,0,0,0|1,0,1]=4 1347 B11R1.29 C#CCOC(C)c1nccs1 5c1bd3074619da82f10e2e987c8d44c3 [0,2,0,0,0,0|0,0,1]=3 1348 B11R1.29 C#CCO[C@@H](C)c1cccs1 fce80beb9b089cc13dea08378647bf99 [0,2,0,0,0,0|1,0,1]=4 1349 B11R1.29 C#CCO[C@@H](C)c1nccs1 d0f1d05759b3a85e6af7872aa71f8bb7 [0,2,0,0,0,0|0,0,1]=3 1350 B11R1.29 C#CCO[C@H](C)c1cccs1 023c293e30122de6bff2e3b4575a247e [0,2,0,0,0,0|1,0,1]=4 1351 B11R1.29 C#CCO[C@H](C)c1nccs1 37326494ce5fd4fc5e2edf8599cc1726 [0,2,0,0,0,0|0,0,1]=3 1352 B11R1.29 C/C=C/CN(C)c1ncc[nH]1 1386f1c39ea99d4e7661a1941525e944 [0,2,0,0,0,0|2,0,0]=4 1353 B11R1.29 C/C=C/CN(C)c1ncco1 03464ca97cf2c7cc86bbcaddaa62a845 [0,2,0,0,0,0|1,1,0]=4 1354 B11R1.29 C/C=C/CN(C)c1nccs1 bae88d01dfb62e769e35014c9b5e59b9 [0,2,0,0,0,0|1,0,0]=3 1355 B11R1.29 C/C=C/CN(C)c1nncs1 058d8c45471ee49ab9e3da6894e321e2 [0,2,0,0,0,0|2,0,0]=4 1356 B11R1.29 C/C=C\CN(C)c1ncc[nH]1 b431fd03eee930c1f021b46c1ca6f0ce [0,2,0,0,0,0|2,0,0]=4 1357 B11R1.29 C/C=C\CN(C)c1ncco1 79674fc3f01107f11a8d3fae81c69b04 [0,2,0,0,0,0|1,1,0]=4 1358 B11R1.29 C/C=C\CN(C)c1nccs1 358f5fb9c77d809481523ae97bae25eb [0,2,0,0,0,0|1,0,0]=3 1359 B11R1.29 C/C=C\CN(C)c1nncs1 e0f5a5fb0f90f44d03d78e6409594e47 [0,2,0,0,0,0|2,0,0]=4 1360 B11R1.29 C=CCCN(C)c1cccs1 94db6c4d2ea426a89cc16c9b7f7201f5 [0,2,0,0,0,0|2,0,0]=4 1361 B11R1.29 C=CCCN(C)c1ncc[nH]1 a22b919c87fe5d49e7dd2a33d11b87f2 [0,2,0,0,0,0|2,0,0]=4 1362 B11R1.29 C=CCCN(C)c1ncco1 a31348ad05e08c115c4b0bd04b03ae77 [0,2,0,0,0,0|1,1,0]=4 1363 B11R1.29 C=CCCN(C)c1nccs1 7a1c9a984f7ef8c5a118e30c12ee8a0f [0,2,0,0,0,0|1,0,0]=3 1364 B11R1.29 C=CCCN(C)c1ncns1 aa962e26421869817798536880645c6d [0,2,0,0,0,0|2,0,0]=4 1365 B11R1.29 C=CCCN(C)c1nncs1 63ff768d89f0293560bd4d741a5a5287 [0,2,0,0,0,0|2,0,0]=4 1366 B11R1.29 C=CCNC(C)c1cccs1 f22ddbefe2aea7cde746cb57d71da3ef [0,2,0,0,0,0|1,0,1]=4 1367 B11R1.29 C=CCNC(C)c1ncco1 442cb9cecae82167f52e88f73b61eede [0,2,0,0,0,0|0,1,1]=4 1368 B11R1.29 C=CCNC(C)c1nccs1 bb4ba4eb040f0dca91040299fcc0fe60 [0,2,0,0,0,0|0,0,1]=3 1369 B11R1.29 C=CCN[C@@H](C)c1cccs1 e514a111f25cdb86524bc84c09cc6ffa [0,2,0,0,0,0|1,0,1]=4 1370 B11R1.29 C=CCN[C@@H](C)c1nccs1 85922511b4f049f63caaf06fc6506d36 [0,2,0,0,0,0|0,0,1]=3 1371 B11R1.29 C=CCN[C@H](C)c1cccs1 2a3823d0169aae2ded8937d4a28ba145 [0,2,0,0,0,0|1,0,1]=4 1372 B11R1.29 C=CCOC(C)c1cccs1 737612bf54e5b5d09dc41cc2336674eb [0,2,0,0,0,0|1,0,1]=4 1373 B11R1.29 C=CCOC(C)c1ncc[nH]1 db3197fb9397149c3497c8f67c6685ba [0,2,0,0,0,0|1,0,1]=4 1374 B11R1.29 C=CCOC(C)c1nccs1 6ad07d04f42b7924a533a6a96f8a39f9 [0,2,0,0,0,0|0,0,1]=3 1375 B11R1.29 C=CCO[C@@H](C)c1cccs1 d748d7ebe38267f5330b922f2cf878e2 [0,2,0,0,0,0|1,0,1]=4 1376 B11R1.29 C=CCO[C@@H](C)c1nccs1 03b06c3b0bd54324182459aba211a250 [0,2,0,0,0,0|0,0,1]=3 1377 B11R1.29 C=CCO[C@H](C)c1cccs1 0f891e0cf164c03e1b1ab0f8987445cf [0,2,0,0,0,0|1,0,1]=4 1378 B11R1.29 C=CCO[C@H](C)c1nccs1 f138d4a1f932555ca61a15baafd54ddb [0,2,0,0,0,0|0,0,1]=3 1379 B11R1.29 CC(CNCF)n1cccn1 5bea5c709d023f9fbbf738736f481e25 [0,2,0,0,0,0|2,0,0]=4 1380 B11R1.29 CC(CNCO)n1cccn1 1b2261a30c146c0178dae07c38ed7d4b [0,2,0,0,0,0|2,0,0]=4 1381 B11R1.29 CC(COCF)n1cccn1 972f1ac1c5bacd71ec6975fc5cb7320b [0,2,0,0,0,0|2,0,0]=4 1382 B11R1.29 CC(NCC#N)c1cccs1 3b817c19fd3a88b596e3991d36d6f759 [0,2,0,0,0,0|1,0,1]=4 1383 B11R1.29 CC(NCC#N)c1ncco1 b264488c50f895d89410514acda971be [0,2,0,0,0,0|0,1,1]=4 1384 B11R1.29 CC(NCC#N)c1nccs1 d24999c94eddf26cf7879948de6d0126 [0,2,0,0,0,0|0,0,1]=3 1385 B11R1.29 CC(NCC=O)c1cccs1 c3b533f89fee80114d631ff64d2a81ef [0,2,0,0,0,0|1,0,1]=4 1386 B11R1.29 CC(NCC=O)c1ncco1 a55be7bbd4939cf7c546a66c786bea6e [0,2,0,0,0,0|0,1,1]=4 1387 B11R1.29 CC(NCC=O)c1nccs1 e0054283662f9cc083e494d6c1bc0151 [0,2,0,0,0,0|0,0,1]=3 1388 B11R1.29 CC(NCCF)c1cc[nH]n1 e64bf1c156d4777c3959015fcf6d93d7 [0,2,0,0,0,0|2,0,0]=4 1389 B11R1.29 CC(NCCF)c1ccco1 2a9add295a7376e24c0060f240d02c67 [0,2,0,0,0,0|1,1,0]=4 1390 B11R1.29 CC(NCCF)c1cccs1 495aa39084d2e63941e119bb5e94655d [0,2,0,0,0,0|1,0,0]=3 1391 B11R1.29 CC(NCCF)c1ccon1 8fc7168832e0ca7a2df76501b493ef3c [0,2,0,0,0,0|2,0,0]=4 1392 B11R1.29 CC(NCCF)c1cncs1 3d8462d44d88196e8036aeb92a1a94f3 [0,2,0,0,0,0|2,0,0]=4 1393 B11R1.29 CC(NCCF)c1cscn1 ed15bf3f14a4ac1c38ba7717eb4d0aa9 [0,2,0,0,0,0|2,0,0]=4 1394 B11R1.29 CC(NCCF)c1ncco1 8532e9dcd97c2276a92d763b78090a93 [0,2,0,0,0,0|0,1,0]=3 1395 B11R1.29 CC(NCCF)c1nccs1 a9390c6b76c77108c9d0f59b6b9a8672 [0,2,0,0,0,0|0,0,0]=2 1396 B11R1.29 CC(NCCF)c1nnco1 b690722b177ad3a28f393824f1ccc0be [0,2,0,0,0,0|1,1,0]=4 1397 B11R1.29 CC(NCCO)c1cc[nH]n1 7acf9a0a0abd267c06f1df37ae2dedca [0,2,0,0,0,0|2,0,0]=4 1398 B11R1.29 CC(NCCO)c1ccco1 69d6c02ba83682b3efb129f6090de12a [0,2,0,0,0,0|1,1,0]=4 1399 B11R1.29 CC(NCCO)c1cccs1 178251ee969e40b34aecbb57b196bcbf [0,2,0,0,0,0|1,0,0]=3 1400 B11R1.29 CC(NCCO)c1ccon1 b6f19e21072d83ea58ac38249869ef7d [0,2,0,0,0,0|2,0,0]=4 1401 B11R1.29 CC(NCCO)c1cncs1 2d966ad56559784e617bb458a04c3d33 [0,2,0,0,0,0|2,0,0]=4 1402 B11R1.29 CC(NCCO)c1cscn1 b0e10777d34577dd4d53aff3d252a366 [0,2,0,0,0,0|2,0,0]=4 1403 B11R1.29 CC(NCCO)c1ncco1 baac2b24be11ffbcbcb6f77e1331808a [0,2,0,0,0,0|0,1,0]=3 1404 B11R1.29 CC(NCCO)c1nccs1 061b4bc12d919dc11c76647f8451eef2 [0,2,0,0,0,0|0,0,0]=2 1405 B11R1.29 CC(NCCO)c1nnco1 c510eca9a319e9173a7727ecdd338687 [0,2,0,0,0,0|1,1,0]=4 1406 B11R1.29 CC(NCCS)c1cc[nH]n1 aac7e41315d8af0b5c09a198d5c8190e [0,2,0,0,0,0|2,0,0]=4 1407 B11R1.29 CC(NCCS)c1ccco1 df42ebe1a40d40339012260e8818d33d [0,2,0,0,0,0|1,1,0]=4 1408 B11R1.29 CC(NCCS)c1cccs1 5165a8607659b9ad38eb5e31eef3033e [0,2,0,0,0,0|1,0,0]=3 1409 B11R1.29 CC(NCCS)c1ccon1 1bd0f7b1256745a57e917e53c3ea2fda [0,2,0,0,0,0|2,0,0]=4 1410 B11R1.29 CC(NCCS)c1cncs1 c4ca549306987a27d58309a774dab46c [0,2,0,0,0,0|2,0,0]=4 1411 B11R1.29 CC(NCCS)c1cscn1 608eb6c4d24c495c59afd2a6845c9095 [0,2,0,0,0,0|2,0,0]=4 1412 B11R1.29 CC(NCCS)c1ncco1 b378fa01029d3de182c01e8f8e045da2 [0,2,0,0,0,0|0,1,0]=3 1413 B11R1.29 CC(NCCS)c1nccs1 e65221f3f4cd31939cec4c8e1937cfbf [0,2,0,0,0,0|0,0,0]=2 1414 B11R1.29 CC(NCCS)c1nnco1 d792a0998a9382b6718beb59f7c2b131 [0,2,0,0,0,0|1,1,0]=4 1415 B11R1.29 CC(OCC#N)c1cccs1 f32fdfeb5efcdb64c85ac89cb9a8fc6f [0,2,0,0,0,0|1,0,1]=4 1416 B11R1.29 CC(OCC#N)c1ncc[nH]1 3223894861dbc7f7b4c24c8dc012fc75 [0,2,0,0,0,0|1,0,1]=4 1417 B11R1.29 CC(OCC#N)c1ncco1 9adecefd56f06bbe0926c977acb8b8e2 [0,2,0,0,0,0|0,1,1]=4 1418 B11R1.29 CC(OCC#N)c1nccs1 8807b807f51d17573ad4eb306d744f13 [0,2,0,0,0,0|0,0,1]=3 1419 B11R1.29 CC(OCC=O)c1cccs1 fc8c883e99ce134e15b60a4bf60e4513 [0,2,0,0,0,0|1,0,1]=4 1420 B11R1.29 CC(OCC=O)c1ncc[nH]1 b7ea8ea2858c300af898d22222c23ebc [0,2,0,0,0,0|1,0,1]=4 1421 B11R1.29 CC(OCC=O)c1ncco1 6faabb84ba92c953bda51782978e80d1 [0,2,0,0,0,0|0,1,1]=4 1422 B11R1.29 CC(OCC=O)c1nccs1 2c394a43bdd1e1346763f10346cc2220 [0,2,0,0,0,0|0,0,1]=3 1423 B11R1.29 CC(OCCF)c1cc[nH]n1 06a1cb86eac574983b40bef80e48bac3 [0,2,0,0,0,0|2,0,0]=4 1424 B11R1.29 CC(OCCF)c1ccco1 10f0dddbbecb7a4fa1347c04a154b2d6 [0,2,0,0,0,0|1,1,0]=4 1425 B11R1.29 CC(OCCF)c1cccs1 61716eec1617ebca8bcf206e78bc406c [0,2,0,0,0,0|1,0,0]=3 1426 B11R1.29 CC(OCCF)c1cncs1 36b5979f5f7c181016f351f718ef55a6 [0,2,0,0,0,0|2,0,0]=4 1427 B11R1.29 CC(OCCF)c1ncc[nH]1 a1d335d708cf5b4b3f4a1ff6f276f084 [0,2,0,0,0,0|1,0,0]=3 1428 B11R1.29 CC(OCCF)c1ncco1 82967664da02b25bacb070600f7c9858 [0,2,0,0,0,0|0,1,0]=3 1429 B11R1.29 CC(OCCF)c1nccs1 1d5bdfa2a62eb0e26b99e9d059de42a2 [0,2,0,0,0,0|0,0,0]=2 1430 B11R1.29 CC(OCCS)c1cc[nH]n1 715243b3a09fa548315bb2584956978e [0,2,0,0,0,0|2,0,0]=4 1431 B11R1.29 CC(OCCS)c1ccco1 f4004cbc673a5ac19c3887f2e1bfe5ec [0,2,0,0,0,0|1,1,0]=4 1432 B11R1.29 CC(OCCS)c1cccs1 0789fc4d3098eedf3c18752533020792 [0,2,0,0,0,0|1,0,0]=3 1433 B11R1.29 CC(OCCS)c1cncs1 dc3193798feb0338c5ced97fc8a066c6 [0,2,0,0,0,0|2,0,0]=4 1434 B11R1.29 CC(OCCS)c1ncc[nH]1 d4e1f16e896eb4f2d5c73de845b14cb1 [0,2,0,0,0,0|1,0,0]=3 1435 B11R1.29 CC(OCCS)c1ncco1 a9cab21ac25eab0938209f2fa4be83e8 [0,2,0,0,0,0|0,1,0]=3 1436 B11R1.29 CC(OCCS)c1nccs1 a3c516f37d72e85a12b04145cca913e1 [0,2,0,0,0,0|0,0,0]=2 1437 B11R1.29 CCCCN(C)c1ncc[nH]1 576b07109087348130088b54d54f6fe0 [0,2,0,0,0,0|2,0,0]=4 1438 B11R1.29 CCCCN(C)c1ncco1 86bdcf44921157adba12893b90cc5d2b [0,2,0,0,0,0|1,1,0]=4 1439 B11R1.29 CCCCN(C)c1nccs1 38174c21b3f5686eb8777300f990dbe9 [0,2,0,0,0,0|1,0,0]=3 1440 B11R1.29 CCCCN(C)c1nncs1 8f07c75ddffad166b060ff54ce675741 [0,2,0,0,0,0|2,0,0]=4 1441 B11R1.29 CCCNC(=O)c1nccs1 b508beeea12b29e1771eeed4bc4b32ee [0,2,0,0,0,0|1,0,1]=4 1442 B11R1.29 CCCNC(C)c1cc[nH]n1 28e3d989293ac995617eba62b62b6d59 [0,2,0,0,0,0|2,0,0]=4 1443 B11R1.29 CCCNC(C)c1ccco1 7e86f1ea622a23860ffb4a628b926f5c [0,2,0,0,0,0|1,1,0]=4 1444 B11R1.29 CCCNC(C)c1cccs1 5aa9843479ce77815080bd0dc1188a66 [0,2,0,0,0,0|1,0,0]=3 1445 B11R1.29 CCCNC(C)c1ccon1 67656f1890715bf8dc850bd40dbce331 [0,2,0,0,0,0|2,0,0]=4 1446 B11R1.29 CCCNC(C)c1cncs1 b181c0d1a82cac2404b531e5bf285b9e [0,2,0,0,0,0|2,0,0]=4 1447 B11R1.29 CCCNC(C)c1cscn1 ad7d90ea73700b59777dc1c5f6cd1f8c [0,2,0,0,0,0|2,0,0]=4 1448 B11R1.29 CCCNC(C)c1ncco1 7e876297f86bbbf2c23cc8f221d3f51e [0,2,0,0,0,0|0,1,0]=3 1449 B11R1.29 CCCNC(C)c1nccs1 4b153d61787ddbfb65149bddfbbc6838 [0,2,0,0,0,0|0,0,0]=2 1450 B11R1.29 CCCNC(C)c1nnco1 083d828a40032ec9e87cd7ccfcfc95a5 [0,2,0,0,0,0|1,1,0]=4 1451 B11R1.29 CCCN[C@@H](C)c1cccs1 098413012ff26c797e0fcae43b28d795 [0,2,0,0,0,0|1,0,0]=3 1452 B11R1.29 CCCN[C@@H](C)c1cncs1 f461c22f2881698ee4a47ca8f4d7fbce [0,2,0,0,0,0|2,0,0]=4 1453 B11R1.29 CCCN[C@@H](C)c1nccs1 984d86b0b6ea319f15a29a69c1546559 [0,2,0,0,0,0|0,0,0]=2 1454 B11R1.29 CCCN[C@H](C)c1ccco1 842b31baf27b8ee70706649ada8ebef1 [0,2,0,0,0,0|1,1,0]=4 1455 B11R1.29 CCCN[C@H](C)c1cccs1 d06b2fe6113708b6534bdf5ede68b17d [0,2,0,0,0,0|1,0,0]=3 1456 B11R1.29 CCCOC(C)c1cc[nH]n1 d6a0ce1f98f8bd28d133e0d86e63b8ad [0,2,0,0,0,0|2,0,0]=4 1457 B11R1.29 CCCOC(C)c1ccco1 0c8192b3fce9fa8d97db205912c0cbc9 [0,2,0,0,0,0|1,1,0]=4 1458 B11R1.29 CCCOC(C)c1cccs1 7b6bdb3f83eaafe65831e71864baaf4a [0,2,0,0,0,0|1,0,0]=3 1459 B11R1.29 CCCOC(C)c1cncs1 5d6cf7ab3ce80ac75c318aa589fbce87 [0,2,0,0,0,0|2,0,0]=4 1460 B11R1.29 CCCOC(C)c1ncc[nH]1 6b368c98d064f0f46fbea455c224981b [0,2,0,0,0,0|1,0,0]=3 1461 B11R1.29 CCCOC(C)c1nccs1 326ac3f09a63a9ce63f16659a3405401 [0,2,0,0,0,0|0,0,0]=2 1462 B11R1.29 CCCO[C@@H](C)c1cccs1 21ea319236f123ccc86c3b2cf90832cc [0,2,0,0,0,0|1,0,0]=3 1463 B11R1.29 CCCO[C@@H](C)c1nccs1 5769645f545128b436ab29090befb3b8 [0,2,0,0,0,0|0,0,0]=2 1464 B11R1.29 CCCO[C@H](C)c1ccco1 8a90bd4017346c35e1595975c1908a98 [0,2,0,0,0,0|1,1,0]=4 1465 B11R1.29 CCCO[C@H](C)c1cccs1 29e31d089cc062e1ef867d38e325320e [0,2,0,0,0,0|1,0,0]=3 1466 B11R1.29 CCCO[C@H](C)c1nccs1 661662ff2b4d6076cceaec1a6e6d6f54 [0,2,0,0,0,0|0,0,0]=2 1467 B11R1.29 CCNCC(C)n1cccn1 fdd638cb0a525134b4972d535cd7bb34 [0,2,0,0,0,0|2,0,0]=4 1468 B11R1.29 CCNCC(O)c1cccs1 0c5890746682937c6b36dd00db074136 [0,2,0,0,0,0|2,0,0]=4 1469 B11R1.29 CCOCC(C)n1cccn1 55f85cb0f7dca8112a7bc40c5ff47992 [0,2,0,0,0,0|2,0,0]=4 1470 B11R1.29 CCOCN(C)c1ncc[nH]1 40dcd2d687f273a81607c21cc1ac54ee [0,2,0,0,0,0|2,0,0]=4 1471 B11R1.29 CCOCN(C)c1ncco1 40f43e530f7fd411649bf7e217c36d7e [0,2,0,0,0,0|1,1,0]=4 1472 B11R1.29 CCOCN(C)c1nccs1 8c5785ff7e2cfe229ae231a2c4aff8fb [0,2,0,0,0,0|1,0,0]=3 1473 B11R1.29 CN(C/C=C/Cl)c1nccs1 4e8e65223c0a19904985c167bb59fd48 [0,2,0,0,0,0|1,0,1]=4 1474 B11R1.29 CN(C/C=C\Cl)c1nccs1 caadfeb3f3cee7cd8a84c67be20e2431 [0,2,0,0,0,0|1,0,1]=4 1475 B11R1.29 CN(C/C=C\O)c1nccs1 00a049a32485e263a2d422b0efa4274c [0,2,0,0,0,0|1,0,1]=4 1476 B11R1.29 CN(CCC#N)c1ncc[nH]1 ffe387da4ea35cb059d1f4c26f11c119 [0,2,0,0,0,0|2,0,0]=4 1477 B11R1.29 CN(CCC#N)c1ncco1 95a3b59d829befdc8bac971930ea3b55 [0,2,0,0,0,0|1,1,0]=4 1478 B11R1.29 CN(CCC#N)c1nccs1 54f575c84f4572e38b2c7ad70ce2e6b3 [0,2,0,0,0,0|1,0,0]=3 1479 B11R1.29 CN(CCC#N)c1nncs1 996400a10a88f5177df5b8f99ad51746 [0,2,0,0,0,0|2,0,0]=4 1480 B11R1.29 CN(CCC=O)c1ncc[nH]1 b18d610422862b17e1fb4bcd7d4b69c8 [0,2,0,0,0,0|2,0,0]=4 1481 B11R1.29 CN(CCC=O)c1ncco1 6ee5394b4b77e9724088397eadf17f9a [0,2,0,0,0,0|1,1,0]=4 1482 B11R1.29 CN(CCC=O)c1nccs1 d40e995f151870b802d32e82ea1abaa6 [0,2,0,0,0,0|1,0,0]=3 1483 B11R1.29 CN(CCC=O)c1nncs1 85b74c0ca958b6f51b78a36c85a5f6cd [0,2,0,0,0,0|2,0,0]=4 1484 B11R1.29 CN(CCCF)c1ncc[nH]1 5058f05614170d091f6bccee3527c788 [0,2,0,0,0,0|2,0,0]=4 1485 B11R1.29 CN(CCCF)c1ncco1 615ed7ef22709b8e33e372a0c82d8443 [0,2,0,0,0,0|1,1,0]=4 1486 B11R1.29 CN(CCCF)c1nccs1 7527a74b97fc6611c986deabef3e8eaf [0,2,0,0,0,0|1,0,0]=3 1487 B11R1.29 CN(CCCF)c1nncs1 85f45683befb3bbfdfdbcf431c96080f [0,2,0,0,0,0|2,0,0]=4 1488 B11R1.29 CN(CCCO)c1cccs1 e6daf353414ec8ee096ae8062390662c [0,2,0,0,0,0|2,0,0]=4 1489 B11R1.29 CN(CCCO)c1ncc[nH]1 92af23df1357a345cd0450b6da5163ef [0,2,0,0,0,0|2,0,0]=4 1490 B11R1.29 CN(CCCO)c1ncco1 1b53211c34571bcb5f681228d78e05b6 [0,2,0,0,0,0|1,1,0]=4 1491 B11R1.29 CN(CCCO)c1nccs1 fb488898a0f112257445f187267b9889 [0,2,0,0,0,0|1,0,0]=3 1492 B11R1.29 CN(CCCO)c1nncs1 2806364c31f001b86356b14a743b92c1 [0,2,0,0,0,0|2,0,0]=4 1493 B11R1.29 CN(CCCS)c1ncc[nH]1 0be07ed610044c1ed9be3c573a0d229e [0,2,0,0,0,0|2,0,0]=4 1494 B11R1.29 CN(CCCS)c1ncco1 b72522081599e6ed25b7e4a64e5bb957 [0,2,0,0,0,0|1,1,0]=4 1495 B11R1.29 CN(CCCS)c1nccs1 b5904f6623e150d01da99ac09b8b766e [0,2,0,0,0,0|1,0,0]=3 1496 B11R1.29 CN(CCCS)c1nncs1 9f7af05dadeecee5679162d32bfe5fe4 [0,2,0,0,0,0|2,0,0]=4 1497 B11R1.29 CN(CCON)c1ncco1 bc148354c6f7d744aa987c2ad3b897d2 [0,2,0,0,0,0|1,1,0]=4 1498 B11R1.29 COCCN(C)c1ncc[nH]1 fbd6418f5bf83ce948c06afc24863e85 [0,2,0,0,0,0|2,0,0]=4 1499 B11R1.29 COCCN(C)c1ncco1 4672e1489d6a69bff12eaed6854556e1 [0,2,0,0,0,0|1,1,0]=4 1500 B11R1.29 COCCN(C)c1nccs1 e81e66ddf4db630313559d7dae727b54 [0,2,0,0,0,0|1,0,0]=3 1501 B11R1.29 COCCN(C)c1nncs1 1557a1d4b9855b76c9d45afef575f5f5 [0,2,0,0,0,0|2,0,0]=4 1502 B11R1.29 COCNC(C)c1cc[nH]n1 3b1e715cb6fd66556eda88d8e0ff6c0a [0,2,0,0,0,0|2,0,0]=4 1503 B11R1.29 COCNC(C)c1ccco1 32057decc3fed592a6e76a815459ddd1 [0,2,0,0,0,0|1,1,0]=4 1504 B11R1.29 COCNC(C)c1cccs1 3b24674dda4bffea02fa5c696846646c [0,2,0,0,0,0|1,0,0]=3 1505 B11R1.29 COCNC(C)c1ccon1 33ebc6760a73745e4aacb56eaa1c628e [0,2,0,0,0,0|2,0,0]=4 1506 B11R1.29 COCNC(C)c1cncs1 280ae0032eb39c2e343b7401cab1927b [0,2,0,0,0,0|2,0,0]=4 1507 B11R1.29 COCNC(C)c1cscn1 265e32454e3d8ab377371c38cf176e0e [0,2,0,0,0,0|2,0,0]=4 1508 B11R1.29 COCNC(C)c1ncco1 23a44612d3deafbddd8bf1e920dadaab [0,2,0,0,0,0|0,1,0]=3 1509 B11R1.29 COCNC(C)c1nccs1 4ac2f429f352d7d89527a9521f5f75d2 [0,2,0,0,0,0|0,0,0]=2 1510 B11R1.29 COCNC(C)c1nnco1 5938ec15173ee7fbbea334db694c343f [0,2,0,0,0,0|1,1,0]=4 1511 B11R1.29 COCN[C@@H](C)c1cccs1 bb20efd705b14af52964ac092ddcda40 [0,2,0,0,0,0|1,0,0]=3 1512 B11R1.29 COCN[C@@H](C)c1cncs1 55d2a954ac7ed2c7263d8d3c414ce5f9 [0,2,0,0,0,0|2,0,0]=4 1513 B11R1.29 COCN[C@@H](C)c1nccs1 359eecd7afbaa21d7da66cb1024d708f [0,2,0,0,0,0|0,0,0]=2 1514 B11R1.29 COCN[C@H](C)c1ccco1 be4dcc2f7ba04d40894497417b536ba9 [0,2,0,0,0,0|1,1,0]=4 1515 B11R1.29 COCN[C@H](C)c1cccs1 e440fa343a8570da830b6e758e6bc65d [0,2,0,0,0,0|1,0,0]=3 1516 B11R1.29 COCOC(C)c1cc[nH]n1 b4688ca5a919a28b0d16dda56d3507af [0,2,0,0,0,0|2,0,0]=4 1517 B11R1.29 COCOC(C)c1cccs1 06f3e210bd8039883e4b9eb4d3849f9e [0,2,0,0,0,0|1,0,0]=3 1518 B11R1.29 COCOC(C)c1cncs1 a209c1a1def37cf531a9d9c3429c9905 [0,2,0,0,0,0|2,0,0]=4 1519 B11R1.29 COCOC(C)c1ncc[nH]1 933f06eddebf4ee6ff72995cbf279b88 [0,2,0,0,0,0|1,0,0]=3 1520 B11R1.29 COCOC(C)c1nccs1 4374ebef1f8328fb0d703198b40881c4 [0,2,0,0,0,0|0,0,0]=2 1521 B11R1.29 COCO[C@@H](C)c1cccs1 c5d768020123e13e8b004dba5303fd45 [0,2,0,0,0,0|1,0,0]=3 1522 B11R1.29 COCO[C@@H](C)c1nccs1 337b71eb353f8d9406eba337328547ed [0,2,0,0,0,0|0,0,0]=2 1523 B11R1.29 COCO[C@H](C)c1cccs1 3ac21856761ff36fcb4d4234de23e207 [0,2,0,0,0,0|1,0,0]=3 1524 B11R1.29 COCO[C@H](C)c1nccs1 4592208e85e9ce6ca3c7b849092d3ecb [0,2,0,0,0,0|0,0,0]=2 1525 B11R1.29 CSCCN(C)c1ncc[nH]1 50e8f325cd435007fcedaf9f4271b7dd [0,2,0,0,0,0|2,0,0]=4 1526 B11R1.29 CSCCN(C)c1ncco1 275c6df72c98677923f59826e4411dda [0,2,0,0,0,0|1,1,0]=4 1527 B11R1.29 CSCCN(C)c1nccs1 290647de28de839d5bc5b1ad97fadb31 [0,2,0,0,0,0|1,0,0]=3 1528 B11R1.29 CSCCN(C)c1nncs1 76b3ea95dbf02b2cfa5d20db0d542762 [0,2,0,0,0,0|2,0,0]=4 1529 B11R1.29 CSCNC(C)c1cc[nH]n1 c7bb833f3eb4da5cbf2bf4f5ae5d1a95 [0,2,0,0,0,0|2,0,0]=4 1530 B11R1.29 CSCNC(C)c1ccco1 af04926486f46f1ded73f9de1fe05881 [0,2,0,0,0,0|1,1,0]=4 1531 B11R1.29 CSCNC(C)c1cccs1 7f1f5d65c500f5fa210f862b46cd3652 [0,2,0,0,0,0|1,0,0]=3 1532 B11R1.29 CSCNC(C)c1ccon1 efb5a0af3bf21da35ce47a14d882a88b [0,2,0,0,0,0|2,0,0]=4 1533 B11R1.29 CSCNC(C)c1cncs1 d784aec3cde570dc228c1c2a2cde4a6f [0,2,0,0,0,0|2,0,0]=4 1534 B11R1.29 CSCNC(C)c1cscn1 18b9a1cf10230bf41a27d3e6f4e2a128 [0,2,0,0,0,0|2,0,0]=4 1535 B11R1.29 CSCNC(C)c1ncco1 4a2d424a421fc49ad197fe19ac3b994b [0,2,0,0,0,0|0,1,0]=3 1536 B11R1.29 CSCNC(C)c1nccs1 27113958d7c7f5b14785b214e2993d21 [0,2,0,0,0,0|0,0,0]=2 1537 B11R1.29 CSCNC(C)c1nnco1 1d8fca0219b9ed23511c3e077903b59d [0,2,0,0,0,0|1,1,0]=4 1538 B11R1.29 CSCN[C@@H](C)c1cccs1 2229784d746ed1b84851a3c9e19ced5d [0,2,0,0,0,0|1,0,0]=3 1539 B11R1.29 CSCN[C@@H](C)c1cncs1 55da22847879dc41d897edf19fa2b299 [0,2,0,0,0,0|2,0,0]=4 1540 B11R1.29 CSCN[C@@H](C)c1nccs1 e0603bc5a4249519a09bf8dea39a3b6f [0,2,0,0,0,0|0,0,0]=2 1541 B11R1.29 CSCN[C@H](C)c1ccco1 517be0c14aea623e338bc0e28f49ee13 [0,2,0,0,0,0|1,1,0]=4 1542 B11R1.29 CSCN[C@H](C)c1cccs1 f0596f2ad082efc8238fefbe2959a7d8 [0,2,0,0,0,0|1,0,0]=3 1543 B11R1.29 CSCOC(C)c1cc[nH]n1 585848ff114d4ff31f601da9a569aab6 [0,2,0,0,0,0|2,0,0]=4 1544 B11R1.29 CSCOC(C)c1cccs1 2d946645b5b8511980f8323e33141230 [0,2,0,0,0,0|1,0,0]=3 1545 B11R1.29 CSCOC(C)c1cncs1 eacb2b006157d018521b2c1ea0a65312 [0,2,0,0,0,0|2,0,0]=4 1546 B11R1.29 CSCOC(C)c1ncc[nH]1 3cadaf6d73b97b25802bfdcfd858b3c4 [0,2,0,0,0,0|1,0,0]=3 1547 B11R1.29 CSCOC(C)c1ncco1 8422159ca97c542eb508b241520087ee [0,2,0,0,0,0|0,1,0]=3 1548 B11R1.29 CSCOC(C)c1nccs1 c125740bbee5856cf13fad64df221f28 [0,2,0,0,0,0|0,0,0]=2 1549 B11R1.29 CSCO[C@@H](C)c1cccs1 ec2d4a4c5fb0cce7f531f247147b4b1a [0,2,0,0,0,0|1,0,0]=3 1550 B11R1.29 CSCO[C@@H](C)c1nccs1 f14813378b2f9630e7614d5b8d9e1c8e [0,2,0,0,0,0|0,0,0]=2 1551 B11R1.29 CSCO[C@H](C)c1cccs1 e3e171f59b58807dd7ea8bda41d12704 [0,2,0,0,0,0|1,0,0]=3 1552 B11R1.29 CSCO[C@H](C)c1nccs1 0003ee1d8ff47745ce6d125181bda909 [0,2,0,0,0,0|0,0,0]=2 1553 B11R1.29 C[C@@H](NCC#N)c1cccs1 a86f849cd632838f98e7e3ff29b27865 [0,2,0,0,0,0|1,0,1]=4 1554 B11R1.29 C[C@@H](NCC=O)c1cccs1 a6079db1f193b74e2d1353f03805bc32 [0,2,0,0,0,0|1,0,1]=4 1555 B11R1.29 C[C@@H](NCCF)c1ccco1 99d0b04c2de0233367755b8adb89391f [0,2,0,0,0,0|1,1,0]=4 1556 B11R1.29 C[C@@H](NCCF)c1cccs1 1177b8a1da64108e6cf42392ff830a0c [0,2,0,0,0,0|1,0,0]=3 1557 B11R1.29 C[C@@H](NCCO)c1ccco1 a92e6290682e4a9cd9e77fa1613f2146 [0,2,0,0,0,0|1,1,0]=4 1558 B11R1.29 C[C@@H](NCCO)c1cccs1 7d46c54a3923fb84e22529dd07ad90fb [0,2,0,0,0,0|1,0,0]=3 1559 B11R1.29 C[C@@H](NCCS)c1ccco1 db60d68a1e1cf43e7b3d7c9ce11cc2eb [0,2,0,0,0,0|1,1,0]=4 1560 B11R1.29 C[C@@H](NCCS)c1cccs1 6e3c15a49087ca99f91716836a0d714f [0,2,0,0,0,0|1,0,0]=3 1561 B11R1.29 C[C@@H](OCC#N)c1cccs1 4d6f85ef5f0b4952678e320e5b76779f [0,2,0,0,0,0|1,0,1]=4 1562 B11R1.29 C[C@@H](OCC#N)c1nccs1 4568d9b56b5351e57d0cd3e43b58d45a [0,2,0,0,0,0|0,0,1]=3 1563 B11R1.29 C[C@@H](OCC=O)c1cccs1 a966c43a54bab2887e5cd95e92205071 [0,2,0,0,0,0|1,0,1]=4 1564 B11R1.29 C[C@@H](OCC=O)c1nccs1 595a5a4faa561f967fbc9c5a34ab0b07 [0,2,0,0,0,0|0,0,1]=3 1565 B11R1.29 C[C@@H](OCCF)c1ccco1 f4d7d8c9ded12605d9a55c2d221894a1 [0,2,0,0,0,0|1,1,0]=4 1566 B11R1.29 C[C@@H](OCCF)c1cccs1 075553fc88fb36fd3effaef0dce5348e [0,2,0,0,0,0|1,0,0]=3 1567 B11R1.29 C[C@@H](OCCF)c1nccs1 8c2c7158e52ceb0c3ed0f943df174a59 [0,2,0,0,0,0|0,0,0]=2 1568 B11R1.29 C[C@@H](OCCS)c1ccco1 41565a4abc9e21b37ab8da4b94e920fb [0,2,0,0,0,0|1,1,0]=4 1569 B11R1.29 C[C@@H](OCCS)c1cccs1 f9fa2bc0d5234fae33a2fb072425c079 [0,2,0,0,0,0|1,0,0]=3 1570 B11R1.29 C[C@@H](OCCS)c1nccs1 c52f7268e97aea46cf9de07a575b3c1f [0,2,0,0,0,0|0,0,0]=2 1571 B11R1.29 C[C@H](NCC#N)c1cccs1 a0ca60cbaae016d85b8cb1d9edadf0d9 [0,2,0,0,0,0|1,0,1]=4 1572 B11R1.29 C[C@H](NCC#N)c1nccs1 e47d9a90cec7c475fd496ccc0b170723 [0,2,0,0,0,0|0,0,1]=3 1573 B11R1.29 C[C@H](NCC=O)c1cccs1 a7d099a0c178d2f28e5fa385a780a97c [0,2,0,0,0,0|1,0,1]=4 1574 B11R1.29 C[C@H](NCC=O)c1nccs1 392baf6a64090f468ca4adb46482e33f [0,2,0,0,0,0|0,0,1]=3 1575 B11R1.29 C[C@H](NCCF)c1cccs1 afc09665bf4d3be0729380b98f1b8064 [0,2,0,0,0,0|1,0,0]=3 1576 B11R1.29 C[C@H](NCCF)c1cncs1 0b5d8c1dacbe1f0099608a49a5599e1c [0,2,0,0,0,0|2,0,0]=4 1577 B11R1.29 C[C@H](NCCF)c1nccs1 3ea4937b9fe08bea1fec5cecb86ddbd1 [0,2,0,0,0,0|0,0,0]=2 1578 B11R1.29 C[C@H](NCCO)c1cccs1 e49d828ad3101c5e88041c8e986aa3ea [0,2,0,0,0,0|1,0,0]=3 1579 B11R1.29 C[C@H](NCCO)c1cncs1 029c34ba5eddd97a44252e5ec99950c0 [0,2,0,0,0,0|2,0,0]=4 1580 B11R1.29 C[C@H](NCCO)c1nccs1 761454d5cd5312dff8ee06f06fc3a6a4 [0,2,0,0,0,0|0,0,0]=2 1581 B11R1.29 C[C@H](NCCS)c1cccs1 2f2b1ef6dfbcf21729310dd6a6d38225 [0,2,0,0,0,0|1,0,0]=3 1582 B11R1.29 C[C@H](NCCS)c1cncs1 42e3e47723a2994f67b95af321ae4f94 [0,2,0,0,0,0|2,0,0]=4 1583 B11R1.29 C[C@H](NCCS)c1nccs1 03a9524f03de9ee1ad65e0f8d7402e7e [0,2,0,0,0,0|0,0,0]=2 1584 B11R1.29 C[C@H](OCC#N)c1cccs1 2d8853e72f36339d23eac952a7e16c95 [0,2,0,0,0,0|1,0,1]=4 1585 B11R1.29 C[C@H](OCC#N)c1nccs1 c23d2d33cdd914f24dcad8610cb4faea [0,2,0,0,0,0|0,0,1]=3 1586 B11R1.29 C[C@H](OCC=O)c1cccs1 09126f7f03d8e105e8a6a8904be4f0de [0,2,0,0,0,0|1,0,1]=4 1587 B11R1.29 C[C@H](OCC=O)c1nccs1 331691befd8b6f5a80673898b6f820c4 [0,2,0,0,0,0|0,0,1]=3 1588 B11R1.29 C[C@H](OCCF)c1cccs1 c661b87ddfca00e55ce14c0d4dad4252 [0,2,0,0,0,0|1,0,0]=3 1589 B11R1.29 C[C@H](OCCF)c1nccs1 cc3040753f2bf4ce0a9510e40f2f1de7 [0,2,0,0,0,0|0,0,0]=2 1590 B11R1.29 C[C@H](OCCS)c1cccs1 2e341a256d0cbd9cfdc3c4b54dcdf551 [0,2,0,0,0,0|1,0,0]=3 1591 B11R1.29 C[C@H](OCCS)c1nccs1 e4fd5e959d2e7f3d85d4adb07900dbd9 [0,2,0,0,0,0|0,0,0]=2 1592 B11R1.29 O=C(NCCBr)c1nccs1 2f66e8cff02a375147879a0050d7c8d9 [0,2,0,0,0,0|1,0,1]=4 1593 B11R1.29 O=C(NCCF)c1nccs1 77eb2769675c943061834add83081ee5 [0,2,0,0,0,0|1,0,1]=4 1594 B11R1.29 O=C(NCCI)c1nccs1 036a52a19aa67d410084de031cedb749 [0,2,0,0,0,0|1,0,1]=4 1595 B11R1.29 O=C(NCCO)c1nccs1 b562304a528adb16b34e4b9da18c2c5c [0,2,0,0,0,0|1,0,1]=4 1596 B11R1.29 O=C(NCCS)c1nccs1 d2c72eed24ffb5227db504a76a4e3581 [0,2,0,0,0,0|1,0,1]=4 1597 B11R1.29 OC(CNCF)c1cccs1 4b5d03e52c3e16b37dc8180a6b2fea69 [0,2,0,0,0,0|2,0,0]=4 1598 B11R1.29 OCNCC(O)c1cccs1 dfc163744a15382dfa31d3cdc2c01e2d [0,2,0,0,0,0|2,0,0]=4 1599 B11R1.77 C=C(Br)CN(C)c1nccs1 532f78dac3fb52b45a9ab37a0682412b [0,2,0,0,0,0|1,0,1]=4 1600 B11R1.77 C=C(C)CN(C)c1ncc[nH]1 5136335316e13be845d4b42732dcf3db [0,2,0,0,0,0|2,0,0]=4 1601 B11R1.77 C=C(C)CN(C)c1ncco1 60b4bc4f81a0282eb3e2f6c36fb5c074 [0,2,0,0,0,0|1,1,0]=4 1602 B11R1.77 C=C(C)CN(C)c1nccs1 9776fa31603018733ed4b66f193ccd00 [0,2,0,0,0,0|1,0,0]=3 1603 B11R1.77 C=C(C)CN(C)c1nncs1 a07912cf587b29f59e39b38b7075524b [0,2,0,0,0,0|2,0,0]=4 1604 B11R1.77 C=C(Cl)CN(C)c1nccs1 a1c81cd7ed167d44e3e112f7a59e54ee [0,2,0,0,0,0|1,0,1]=4 1605 B11R1.77 C=C(F)CN(C)c1nccs1 ab6fabe42f7c2faa26506b95aea0d82f [0,2,0,0,0,0|1,0,1]=4 1606 B11R1.77 CC(=O)NC(C)c1cccs1 e7ae72928c15ab3e748d7e1c8cf72906 [0,2,0,0,0,0|1,0,1]=4 1607 B11R1.77 CC(=O)NC(C)c1ncco1 fd525221588f8253603eb6525149d065 [0,2,0,0,0,0|0,1,1]=4 1608 B11R1.77 CC(=O)NC(C)c1nccs1 0a448acc08f5cf357cfb71fa073e12ba [0,2,0,0,0,0|0,0,1]=3 1609 B11R1.77 CC(=O)N[C@@H](C)c1cccs1 b818cd586259681e42d14261ef748959 [0,2,0,0,0,0|1,0,1]=4 1610 B11R1.77 CC(=O)N[C@@H](C)c1nccs1 a2ddac4b6d3dfec46922786d18b57837 [0,2,0,0,0,0|0,0,1]=3 1611 B11R1.77 CC(=O)N[C@H](C)c1cccs1 f815dc1cf41a56fe27ec577f5b868185 [0,2,0,0,0,0|1,0,1]=4 1612 B11R1.77 CC(C)CN(C)c1ncc[nH]1 4364ad15ce312adedb5c67a90934323d [0,2,0,0,0,0|2,0,0]=4 1613 B11R1.77 CC(C)CN(C)c1ncco1 1c311ac6a061cc17e543bd89d65daca3 [0,2,0,0,0,0|1,1,0]=4 1614 B11R1.77 CC(C)CN(C)c1nccs1 0356b181785727c1d271923f6f0393d2 [0,2,0,0,0,0|1,0,0]=3 1615 B11R1.77 CC(C)CN(C)c1nncs1 d2996f716dfb8db86ad7eb9b38fdfda5 [0,2,0,0,0,0|2,0,0]=4 1616 B11R1.77 CC(C)NC(C)c1cc[nH]n1 f079a6a01d0ce3fb217932fc97652c17 [0,2,0,0,0,0|2,0,0]=4 1617 B11R1.77 CC(C)NC(C)c1cccs1 eb683d65896895bb297b0ab71cc9c4a1 [0,2,0,0,0,0|1,0,0]=3 1618 B11R1.77 CC(C)NC(C)c1ccon1 2ade17ca8cd6815733a0cd638f8456c5 [0,2,0,0,0,0|2,0,0]=4 1619 B11R1.77 CC(C)NC(C)c1cscn1 038393259c38d8375ac20309817068ed [0,2,0,0,0,0|2,0,0]=4 1620 B11R1.77 CC(C)NC(C)c1ncco1 fe124b38010fb9cb72b19d33b81f9d79 [0,2,0,0,0,0|0,1,0]=3 1621 B11R1.77 CC(C)NC(C)c1nccs1 5ff3a4aad80f5a02a7e202845f06bdf6 [0,2,0,0,0,0|0,0,0]=2 1622 B11R1.77 CC(C)NC(C)c1nnco1 5ab51e1a240382d2bd92ca8a8c6f6b51 [0,2,0,0,0,0|1,1,0]=4 1623 B11R1.77 CC(C)N[C@@H](C)c1cccs1 4b8c345b98d415a7c8e8fa5e2d864489 [0,2,0,0,0,0|1,0,0]=3 1624 B11R1.77 CC(C)N[C@@H](C)c1nccs1 06a4993970b77ba60d112c10d386366e [0,2,0,0,0,0|0,0,0]=2 1625 B11R1.77 CC(C)N[C@H](C)c1cccs1 d255631cb9b28bf8c4e4cf64cf9e49cc [0,2,0,0,0,0|1,0,0]=3 1626 B11R1.77 CC(C)OC(C)c1cc[nH]n1 0f9c9cfc581e8940fd59831257260754 [0,2,0,0,0,0|2,0,0]=4 1627 B11R1.77 CC(C)OC(C)c1cccs1 4a80191c016c84671367c15c4ce54900 [0,2,0,0,0,0|1,0,0]=3 1628 B11R1.77 CC(C)OC(C)c1ncc[nH]1 8db7f4f40c72bb4a039ad17163096fdb [0,2,0,0,0,0|1,0,0]=3 1629 B11R1.77 CC(C)OC(C)c1nccs1 518db131c476bcb66aeb2ade64d7ae4f [0,2,0,0,0,0|0,0,0]=2 1630 B11R1.77 CC(C)O[C@@H](C)c1cccs1 557a9cdd57ebf18ee8f272b45845d97f [0,2,0,0,0,0|1,0,0]=3 1631 B11R1.77 CC(C)O[C@@H](C)c1nccs1 76e9fc6b60eae9460f35a14e8c99fcbc [0,2,0,0,0,0|0,0,0]=2 1632 B11R1.77 CC(C)O[C@H](C)c1cccs1 85c06e1ba647c2cb8d6053f8c6d14fe3 [0,2,0,0,0,0|1,0,0]=3 1633 B11R1.77 CC(C)O[C@H](C)c1nccs1 4c1e4d94445d9ece80ff72b5d5b1d00a [0,2,0,0,0,0|0,0,0]=2 1634 B11R1.77 CC(O)CN(C)c1ncc[nH]1 61b65d50b325657ee2cca71a0135deb4 [0,2,0,0,0,0|2,0,0]=4 1635 B11R1.77 CC(O)CN(C)c1ncco1 387eb2977940eccf1b8c0fc59a175dac [0,2,0,0,0,0|1,1,0]=4 1636 B11R1.77 CC(O)CN(C)c1nccs1 f60aa290a31bbdbf17c24bd8c33b7d38 [0,2,0,0,0,0|1,0,0]=3 1637 B11R1.77 CC(O)CN(C)c1nncs1 0f110a6a79fc4ced4b590fb2fa29cd15 [0,2,0,0,0,0|2,0,0]=4 1638 B11R1.77 CN(C)CN(C)c1ncc[nH]1 36e21348761c77baf7b4da262add6ae0 [0,2,0,0,0,0|2,0,0]=4 1639 B11R1.77 CN(C)CN(C)c1ncco1 0c149030ffa6a7cdd5d4041f5a7f64f5 [0,2,0,0,0,0|1,1,0]=4 1640 B11R1.77 CN(C)CN(C)c1nccs1 dfe45078d9387b24ebdc66d9901c3ee1 [0,2,0,0,0,0|1,0,0]=3 1641 B11R1.77 CN(CC(=O)N)c1nccs1 19652ccf5b047fd0e026a36eb3887849 [0,2,0,0,0,0|1,0,1]=4 1642 B11R1.77 CN(CC(=O)O)c1nccs1 74773f367c38048a024d1ff3d6578e47 [0,2,0,0,0,0|1,0,1]=4 1643 B11R1.77 CN(CC(F)F)c1ncc[nH]1 871b7d3a063fb851e5966ae375c12de7 [0,2,0,0,0,0|2,0,0]=4 1644 B11R1.77 CN(CC(F)F)c1ncco1 8e1e920fdeaf10f46f540e0917750dd0 [0,2,0,0,0,0|1,1,0]=4 1645 B11R1.77 CN(CC(F)F)c1nccs1 b8d61fbd62ddaf71b5ccc3ef241b9f6b [0,2,0,0,0,0|1,0,0]=3 1646 B11R1.77 CN(CC(F)F)c1nncs1 8506c476587d1b48df064938ceee24d2 [0,2,0,0,0,0|2,0,0]=4 1647 B11R1.77 CN(C[N+](=O)[O-])c1nccs1 e338bc027118da44c76ec7f9bb9c2c0b [0,2,0,0,0,0|2,0,0]=4 1648 B11R1.77 C[C@H](O)CN(C)c1ncc[nH]1 047c7126d68ab836dc50ab7f7ad653dd [0,2,0,0,0,0|2,0,0]=4 1649 B11R1.77 C[C@H](O)CN(C)c1ncco1 51b424e5728ccbdbb3821d0957b0a38d [0,2,0,0,0,0|1,1,0]=4 1650 B11R1.77 C[C@H](O)CN(C)c1nccs1 9c226de93c2fb35fcfae98c839fd1b98 [0,2,0,0,0,0|1,0,0]=3 1651 B11R1.77 C[C@H](O)CN(C)c1nncs1 c1ab20b32e019f7749a008519ca8bdea [0,2,0,0,0,0|2,0,0]=4 1652 B11R1.199 CC(OCF)c1nccn1C fd3ddedfae1833e9b3eed18c1f2839ac [0,2,0,0,0,0|2,0,0]=4 1653 B11R1.199 CCOC(C)c1nccn1C 10f9609a1392b9f7ca8849e55be2d603 [0,2,0,0,0,0|1,0,0]=3 1654 B11R1.199 CCOC(C)c1scnc1C aa41067b061092b09036f800e45bf386 [0,2,0,0,0,0|2,0,0]=4 1655 B11R1.199 Cc1ccsc1N(C)CCO 21ef0ddfeb73ed2dad9a6da99934ac47 [0,2,0,0,0,0|2,0,0]=4 1656 B11R1.44 CCN(C)c1cc(cs1)C=O f69289a70ebf62f1b9ce2ec8d3d11eb4 [0,2,0,0,0,0|2,0,0]=4 1657 B11R1.44 CCN(C)c1ccc(s1)C=O 4932cda769bfe4c238b9b527de2ed269 [0,2,0,0,0,0|2,0,0]=4 1658 B11R1.44 CCN(C)c1ccc(s1)CO 9cc78b2f9ba1e2a54ea865108dbfa605 [0,2,0,0,0,0|2,0,0]=4 1659 B11R1.44 CCN(C)c1nc(co1)C=O 80dc09ac24ac74c1e709a5accd92fd3b [0,2,0,0,0,0|1,1,0]=4 1660 B11R1.226 CCN(C)c1nc(c(o1)C)C 0ff08e04f4571364e3bba483109c4c87 [0,2,0,0,0,0|1,1,0]=4 1661 B11R1.226 CCN(C)c1nc(c(s1)C)Br 83b1cab0539cfe47cb25d05f91533b60 [0,2,0,0,0,0|1,0,0]=3 1662 B11R1.226 Cc1sc(nc1Br)N(C)CF 89714218f57676282288b9aec4acd101 [0,2,0,0,0,0|2,0,0]=4 1663 B11R1.226 Cc1sc(nc1Br)N(C)CO 05dbadf4341d3192470a33912a40aa6a [0,2,0,0,0,0|2,0,0]=4 1664 B11R1.314 CC(=O)N(C)c1nc(cs1)C 4b8630fa9698d2d6a5def00e973591cc [0,2,0,0,0,0|1,0,1]=4 1665 B11R1.314 Cc1nsc(n1)N(C)C(C)C 1f2f8dce8377a1fbd4481e5306b3fe67 [0,2,0,0,0,0|2,0,0]=4 1666 B11R1.357 CN(c1ncco1)C(C)(C)C ef7587eb66666e0d8a9c00eff4d60a4a [0,2,0,0,0,0|1,1,0]=4 1667 B11R1.59 CCN(C)c1sccc1CO c0f5cd621aa55ec12ec04c1f8a28f2df [0,2,0,0,0,0|2,0,0]=4 1668 B11R2.5 CC1CC1Nc2ccns2 57a1a41fff97457ae39ebf4f37e59aa1 [0,0,0,1,0,1|2,0,0]=4 1669 B11R2.5 CC1CC1Nc2ncc[nH]2 8717ab2eff46c2877a88636cf3de1211 [0,0,0,1,0,1|1,0,0]=3 1670 B11R2.5 CC1CC1Nc2ncco2 da24961eb2a36a22de9a7e21978b1ab4 [0,0,0,1,0,1|0,1,0]=3 1671 B11R2.5 CC1CC1Nc2nccs2 35db904ad8c85e2fe57090415dd4e002 [0,0,0,1,0,1|0,0,0]=2 1672 B11R2.5 F[C@@H]1C[C@@H]1Nc2ncc[nH]2 f010f7f6dc560a9f4c70440ac08fcb5d [0,0,0,1,0,1|2,0,0]=4 1673 B11R2.5 F[C@@H]1C[C@@H]1Nc2ncco2 0ea5035be403bef6d424799bd9cce398 [0,0,0,1,0,1|1,1,0]=4 1674 B11R2.5 F[C@@H]1C[C@@H]1Nc2nccs2 76a32f1f1e5675b3a529dfd2a35ac648 [0,0,0,1,0,1|1,0,0]=3 1675 B11R2.5 F[C@@H]1C[C@H]1Nc2ncc[nH]2 fcbd53f7ff33d01494123a0a1bbdd467 [0,0,0,1,0,1|2,0,0]=4 1676 B11R2.5 F[C@@H]1C[C@H]1Nc2ncco2 8d82aac2cfb929598b8ece30941434fb [0,0,0,1,0,1|1,1,0]=4 1677 B11R2.5 F[C@@H]1C[C@H]1Nc2nccs2 89908d1023fde290719d95dade66256b [0,0,0,1,0,1|1,0,0]=3 1678 B11R2.5 F[C@H]1C[C@@H]1Nc2ncc[nH]2 ef0c992d4720e7d824d75429fa94f928 [0,0,0,1,0,1|2,0,0]=4 1679 B11R2.5 F[C@H]1C[C@@H]1Nc2ncco2 0f4ed4753b59af4961d868fe15ee021c [0,0,0,1,0,1|1,1,0]=4 1680 B11R2.5 F[C@H]1C[C@@H]1Nc2nccs2 f08d5bedf0e3dbc87826dc649ca41860 [0,0,0,1,0,1|1,0,0]=3 1681 B11R2.237 c1c[nH]c(n1)CN2CCC2 17402354dd6f0f1310cff4e72eba983c [0,0,0,1,0,1|2,0,0]=4 1682 B11R2.237 c1c[nH]c(n1)NC2CCC2 4372bf21d7e00261cb94246e6105d244 [0,0,0,1,0,1|1,0,0]=3 1683 B11R2.237 c1cc(n[nH]1)NC2CCC2 4ec21b2262f468480fe0501adde99d36 [0,0,0,1,0,1|2,0,0]=4 1684 B11R2.237 c1cc(sn1)NC2CCC2 43098c9f24a6c257c210e73afe3ec172 [0,0,0,1,0,1|2,0,0]=4 1685 B11R2.237 c1cnn(c1)OC2CCC2 c51382b38b4a80223451a3882e1fdf14 [0,0,0,1,0,1|2,0,0]=4 1686 B11R2.237 c1coc(c1)OC2CCC2 f5af9146d5a318e10ab5a7606f12d4d4 [0,0,0,1,0,1|1,1,0]=4 1687 B11R2.237 c1coc(n1)CN2CCC2 94cb80fde298004e3507d3c464206d90 [0,0,0,1,0,1|1,1,0]=4 1688 B11R2.237 c1csc(c1)CN2CCC2 61f74da87acdf0e734416416174ecede [0,0,0,1,0,1|2,0,0]=4 1689 B11R2.237 c1csc(n1)CN2CCC2 437e6047eb6b0af04795bdafe485e1ee [0,0,0,1,0,1|1,0,0]=3 1690 B11R2.237 c1csc(n1)NC2COC2 df6b0fbb2151ce8d60243acdbde58160 [0,0,0,1,0,1|1,0,0]=3 1691 B11R2.237 c1csc(n1)OC2CCC2 14fc5a83b3b5ad432bb9f5b067995817 [0,0,0,1,0,1|0,0,0]=2 1692 B11R2.237 c1nc(c[nH]1)OC2CCC2 cb9787f12fba2a6c223c299a8423d4ee [0,0,0,1,0,1|2,0,0]=4 1693 B11R2.237 c1nc(n[nH]1)NC2CCC2 e7f562f00a08bcd6790de3b9bb55bfdf [0,0,0,1,0,1|2,0,0]=4 1694 B11R2.237 c1nc(no1)NC2CCC2 10963bb13f48d98408bd30a5747b9fa1 [0,0,0,1,0,1|2,0,0]=4 1695 B11R2.237 c1nc(ns1)NC2CCC2 e57ba21ae7162dc4c85e83dd4b3e3606 [0,0,0,1,0,1|2,0,0]=4 1696 B11R2.388 CC1(CC1)Nc2c[nH]cn2 cad5eaf29225e21d7b3594196a757e8f [0,0,0,1,0,1|2,0,0]=4 1697 B11R2.388 CC1(CC1)Nc2ncco2 0b6e542468c192ce886cd869a2b58cdf [0,0,0,1,0,1|0,1,0]=3 1698 B11R2.388 CC1(CC1)Nc2nccs2 fe230f85df15cb58a008abbade84ab85 [0,0,0,1,0,1|0,0,0]=2 1699 B11R2.191 CCN1CCn2c1ncc2 775632a8104bb09a5ce83a4884274c22 [0,1,0,1,0,0|2,0,0]=4 1700 B11R2.191 FCN1CCn2c1ncc2 def8e676a80c458d68f4e9a9a04be957 [0,1,0,1,0,0|2,0,0]=4 1701 B11R2.191 OCN1CCn2c1ncc2 0caff1d9f7e9970d2651e91beae9a3c0 [0,1,0,1,0,0|2,0,0]=4 1702 B9R1.8 CCNc1ccccn1 2525c23bd886b96c78c0be1e9ad1905b [1,0,0,0,0,1|2,0,0]=4 1703 B9R1.8 CCNc1cccnc1 e16c06cad87ecb5a3a4a58b6d8537631 [1,0,0,0,0,1|2,0,0]=4 1704 B9R1.8 CCNc1cccnn1 8ce46420a68f085572db040256d5d2b7 [1,0,0,0,0,1|2,0,0]=4 1705 B9R1.8 CCNc1ccncn1 e04846be86a5c479e545d0cb402fe182 [1,0,0,0,0,1|2,0,0]=4 1706 B9R1.8 CCNc1cnccn1 692286fa82997f2fb685e4d3ad5b2443 [1,0,0,0,0,1|2,0,0]=4 1707 B9R1.8 CCNc1ncccn1 e5f30c193b5ab11515bad37a4470b1a9 [1,0,0,0,0,1|2,0,0]=4 1708 B9R1.8 CCNc1nccnn1 de6c00a96ec865d94fb0210d389d00df [1,0,0,0,0,1|2,0,0]=4 1709 B9R1.8 CCNc1ncncn1 95af6b7d0adfcc03c2c5620567ce30a7 [1,0,0,0,0,1|2,0,0]=4 1710 B9R1.8 CCOc1ccccn1 8b10ed115fcb5b65f209d3b07c05b728 [1,0,0,0,0,1|2,0,0]=4 1711 B9R1.8 CCOc1cccnc1 efa582b018c37c3ab155936515b551ea [1,0,0,0,0,1|2,0,0]=4 1712 B9R1.8 CCOc1cnccn1 aa9d1d61b4f8dce5da42fe3ddcc6df85 [1,0,0,0,0,1|2,0,0]=4 1713 B9R1.8 CCOc1ncccn1 c537ae1cbb412be3ee508a248bc8885d [1,0,0,0,0,1|2,0,0]=4 1714 B11R1.40 CC(CO)Nc1ccccn1 2e21620844440b7bb083395c24fa5d12 [0,0,0,0,0,2|2,0,0]=4 1715 B11R1.40 CC(CO)Nc1cccnc1 1993973453fc1c9eb0295a2e45197541 [0,0,0,0,0,2|2,0,0]=4 1716 B11R1.40 CC(CO)Nc1cccnn1 fb9d6dc59f436ead150c6d9d000776a9 [0,0,0,0,0,2|2,0,0]=4 1717 B11R1.40 CC(CO)Nc1ccncn1 17796906879bf0ae2e98e2bf5752eab1 [0,0,0,0,0,2|2,0,0]=4 1718 B11R1.40 CC(CO)Nc1cnccn1 bca12c198f8b3dcf3474883c473e477a [0,0,0,0,0,2|2,0,0]=4 1719 B11R1.40 CC(CO)Nc1ncccn1 4d59a1eb8aab40cf3c337bc82e555d91 [0,0,0,0,0,2|2,0,0]=4 1720 B11R1.40 CC(CO)Nc1nccnn1 4056310548b07b1de0ae9d16861121cd [0,0,0,0,0,2|2,0,0]=4 1721 B11R1.40 CC(CO)Nc1ncncn1 e5f9189903bdfdd6830693f4fb53e9bd [0,0,0,0,0,2|2,0,0]=4 1722 B11R1.40 CCC(C)Nc1ccccc1 0d73dedeab1dd8f5149c3124f0b802dc [0,0,0,0,0,2|2,0,0]=4 1723 B11R1.40 CCC(C)Nc1ccccn1 bb895d27f1d9ed94ab4cd5f93b01f0bd [0,0,0,0,0,2|1,0,0]=3 1724 B11R1.40 CCC(C)Nc1cccnc1 a0e745f4d44915557790daf72381f523 [0,0,0,0,0,2|1,0,0]=3 1725 B11R1.40 CCC(C)Nc1cccnn1 ff06696cf74f270fdba143978c62ac27 [0,0,0,0,0,2|1,0,0]=3 1726 B11R1.40 CCC(C)Nc1ccncc1 8150e11adca204128a3ae62428597250 [0,0,0,0,0,2|2,0,0]=4 1727 B11R1.40 CCC(C)Nc1ccncn1 cdc50b843b9c714cbb9488ee87e2e9f4 [0,0,0,0,0,2|1,0,0]=3 1728 B11R1.40 CCC(C)Nc1ccnnc1 b2cd78b0e4e493fc8fc7fd660daa28ea [0,0,0,0,0,2|2,0,0]=4 1729 B11R1.40 CCC(C)Nc1cnccn1 218f39b97d2fc8b56d7c106256492dff [0,0,0,0,0,2|1,0,0]=3 1730 B11R1.40 CCC(C)Nc1cncnc1 c613a4573f5f5c49698cbf707a287ecf [0,0,0,0,0,2|2,0,0]=4 1731 B11R1.40 CCC(C)Nc1cnncn1 b4ae1832d341449951660973d36dd2a7 [0,0,0,0,0,2|2,0,0]=4 1732 B11R1.40 CCC(C)Nc1ncccn1 11b2ce1094fd36a470194aa0ea19a19c [0,0,0,0,0,2|1,0,0]=3 1733 B11R1.40 CCC(C)Nc1nccnn1 7aafbe768b9876c6c10b1c269bfe3a67 [0,0,0,0,0,2|1,0,0]=3 1734 B11R1.40 CCC(C)Nc1ncncn1 f1f17b46f0f43efdb4a73872e91ee8fa [0,0,0,0,0,2|1,0,0]=3 1735 B11R1.40 CCC(C)Oc1ccccn1 b8b4a806c6af90298cf0d1454fda0647 [0,0,0,0,0,2|1,0,0]=3 1736 B11R1.40 CCC(C)Oc1cccnc1 ea8ea3a935f9f1da0dc64162c872e010 [0,0,0,0,0,2|1,0,0]=3 1737 B11R1.40 CCC(C)Oc1ccncc1 0e7c13edf9ed6b6addf466a3a8481e15 [0,0,0,0,0,2|2,0,0]=4 1738 B11R1.40 CCC(C)Oc1ccnnc1 2c1374a060c2205ba338192573bcdf4f [0,0,0,0,0,2|2,0,0]=4 1739 B11R1.40 CCC(C)Oc1cnccn1 259d43a94fcc1396cf4ed5279619bad5 [0,0,0,0,0,2|1,0,0]=3 1740 B11R1.40 CCC(C)Oc1cncnc1 1927eda9da52994d7329db955284990c [0,0,0,0,0,2|2,0,0]=4 1741 B11R1.40 CCC(C)Oc1cncnn1 c022991dbc7528d89b1ea0e28f6ee210 [0,0,0,0,0,2|2,0,0]=4 1742 B11R1.40 CCC(C)Oc1ncccn1 2c3f480730b3d8e77d38029021131efd [0,0,0,0,0,2|1,0,0]=3 1743 B11R1.40 CCN(C)Cc1ccccn1 e347cf6623c9ce49a1c94570b5d3844c [0,0,0,0,0,2|2,0,0]=4 1744 B11R1.40 CCN(C)Cc1cccnc1 69e9bc72fe902e2c097b1bc797c43254 [0,0,0,0,0,2|2,0,0]=4 1745 B11R1.40 CCN(C)Cc1cccnn1 ba8363aad2effd2a40895558d9f7d2cc [0,0,0,0,0,2|2,0,0]=4 1746 B11R1.40 CCN(C)Cc1ccncn1 83309bdc7d5b3f4e0468e934ea7be25a [0,0,0,0,0,2|2,0,0]=4 1747 B11R1.40 CCN(C)Cc1cnccn1 13139f85f2c80541c7a741660f0206e2 [0,0,0,0,0,2|2,0,0]=4 1748 B11R1.40 CCN(C)Cc1ncccn1 ebe3e637f0b1e6381a1d390f9229f3e9 [0,0,0,0,0,2|2,0,0]=4 1749 B11R1.40 CC[C@@H](C)Nc1ccccc1 405a065880ecff40d5c3aba49f23a60f [0,0,0,0,0,2|2,0,0]=4 1750 B11R1.40 CC[C@@H](C)Nc1cccnc1 d5c354fec9aa4824593a6aa370b31f97 [0,0,0,0,0,2|1,0,0]=3 1751 B11R1.40 CC[C@H](C)Nc1ccccc1 bdf0fca4eb541010d4b75cf2b0618571 [0,0,0,0,0,2|2,0,0]=4 1752 B11R1.40 CC[C@H](C)Nc1cccnc1 a188aeb369243191dc243d4fb98ce075 [0,0,0,0,0,2|1,0,0]=3 1753 B11R1.40 C[C@@H](CO)Nc1ccccn1 9ac7427612f5553e5180ee81712e35fd [0,0,0,0,0,2|2,0,0]=4 1754 B11R1.40 C[C@@H](CO)Nc1cccnc1 b4b83540aa924934ce25b37024c4f475 [0,0,0,0,0,2|2,0,0]=4 1755 B11R1.40 C[C@@H](CO)Nc1cccnn1 9f042c1373662f7bcf04444b6615ba81 [0,0,0,0,0,2|2,0,0]=4 1756 B11R1.40 C[C@@H](CO)Nc1ccncn1 f1c1e7e380ed6f20077393c2ea15133a [0,0,0,0,0,2|2,0,0]=4 1757 B11R1.40 C[C@@H](CO)Nc1cnccn1 54f606e098d7069b6301fbd7ff24023c [0,0,0,0,0,2|2,0,0]=4 1758 B11R1.40 C[C@@H](CO)Nc1ncccn1 988a0651b7d8579b146b11e4192aa15f [0,0,0,0,0,2|2,0,0]=4 1759 B11R1.40 C[C@@H](CO)Nc1nccnn1 77b9669b58c9059bfaacabc1ccf79acc [0,0,0,0,0,2|2,0,0]=4 1760 B11R1.40 C[C@@H](CO)Nc1ncncn1 8fcbf3c7ee2dffbf6cb937419279900c [0,0,0,0,0,2|2,0,0]=4 1761 B11R1.40 C[C@H](CO)Nc1ccccn1 01d2d5e2403842048f8ac810f41680f1 [0,0,0,0,0,2|2,0,0]=4 1762 B11R1.40 C[C@H](CO)Nc1cccnc1 0388d126da012bf4a1e005fb7424e864 [0,0,0,0,0,2|2,0,0]=4 1763 B11R1.40 C[C@H](CO)Nc1cccnn1 d9e3b155afcba651747dae7b699586f7 [0,0,0,0,0,2|2,0,0]=4 1764 B11R1.40 C[C@H](CO)Nc1ccncn1 954fbcce3b9b09c9016cc6cd2015a51e [0,0,0,0,0,2|2,0,0]=4 1765 B11R1.40 C[C@H](CO)Nc1cnccn1 ad67c5623bc833af0ed62e39411a7055 [0,0,0,0,0,2|2,0,0]=4 1766 B11R1.40 C[C@H](CO)Nc1ncccn1 96711dc91f089457a6603118d153ab8c [0,0,0,0,0,2|2,0,0]=4 1767 B11R1.40 C[C@H](CO)Nc1nccnn1 d226497317c47bb130c42c6cfa0e4b4d [0,0,0,0,0,2|2,0,0]=4 1768 B11R1.40 C[C@H](CO)Nc1ncncn1 310da3f1b649788737f3a9979fbe7ecc [0,0,0,0,0,2|2,0,0]=4 1769 B11R1.25 BrCC(Br)CNc1nccs1 3e05c6f5a2be39a9c93649d04808cc38 [0,0,0,0,0,2|2,0,0]=4 1770 B11R1.25 C#CC(C)NCc1nccs1 637ab6f0e6e55e26b7363ef2a4e0fc20 [0,0,0,0,0,2|0,0,2]=4 1771 B11R1.25 C#CC(C)OCc1nccs1 3f027b66119ff72681cef75fb610e178 [0,0,0,0,0,2|0,0,2]=4 1772 B11R1.25 C#C[C@@H](C)NCc1nccs1 6bef74ecb4b4d1360ed4b634adc67bd6 [0,0,0,0,0,2|0,0,2]=4 1773 B11R1.25 C#C[C@@H](C)OCc1nccs1 32b2035e85a5792c01b9b48769d3d984 [0,0,0,0,0,2|0,0,2]=4 1774 B11R1.25 C#C[C@H](C)NCc1nccs1 ff69b150915a2d391432d866e3107379 [0,0,0,0,0,2|0,0,2]=4 1775 B11R1.25 C#C[C@H](C)OCc1nccs1 66b1cb3f8340d1385c36ee3f07a5a066 [0,0,0,0,0,2|0,0,2]=4 1776 B11R1.25 C=C(CC)CNc1nccs1 46a373964fe9e5211ac4b72c369f2b12 [0,0,0,0,0,2|0,0,2]=4 1777 B11R1.25 C=C(CC)COc1nccs1 b0827b35a225aa870ff2bd39ea09b753 [0,0,0,0,0,2|0,0,2]=4 1778 B11R1.25 C=CC(C)NCc1nccs1 54371dc4e9b1ad2b5a5e73f6d5233792 [0,0,0,0,0,2|0,0,2]=4 1779 B11R1.25 C=CC(C)OCc1nccs1 b1a724d7c4ec1e7553eaf16a86d8ee56 [0,0,0,0,0,2|0,0,2]=4 1780 B11R1.25 C=C[C@H](C)OCc1nccs1 191b8039bb3480bdf9bc20615a0d7290 [0,0,0,0,0,2|0,0,2]=4 1781 B11R1.25 CC(C#N)CNc1nccs1 fcb2908eb02159c474edf7a2a2a53a05 [0,0,0,0,0,2|1,0,1]=4 1782 B11R1.25 CC(C#N)COc1nccs1 6d8ae517663347059800fdbeb8456466 [0,0,0,0,0,2|1,0,1]=4 1783 B11R1.25 CC(C#N)NCc1nccs1 950f8d2ccc56bede4a68cb98d56f4623 [0,0,0,0,0,2|1,0,1]=4 1784 B11R1.25 CC(C#N)OCc1nccs1 6518d4be946251d7980519e5da6f42a2 [0,0,0,0,0,2|1,0,1]=4 1785 B11R1.25 CC(C=O)NCc1nccs1 fd31feb8ccc6132ce66a42a488a2e22f [0,0,0,0,0,2|1,0,1]=4 1786 B11R1.25 CC(C=O)OCc1nccs1 427201b69eaa031b98cbc411ea335333 [0,0,0,0,0,2|1,0,1]=4 1787 B11R1.25 CC(CF)OCc1cccs1 c61d4203ee490fd4ec0504a095cf3419 [0,0,0,0,0,2|2,0,0]=4 1788 B11R1.25 CC(CF)OCc1ncc[nH]1 7e1cff001472387c9af5964352be9ce8 [0,0,0,0,0,2|2,0,0]=4 1789 B11R1.25 CC(CF)OCc1ncco1 e642e6dae7fc83073a20c58077a050f3 [0,0,0,0,0,2|1,1,0]=4 1790 B11R1.25 CC(CF)OCc1nccs1 91fa03453022e436048a4b410e626c36 [0,0,0,0,0,2|1,0,0]=3 1791 B11R1.25 CC(CO)CNc1cccs1 7d154d13e493f7700e0144525fd94345 [0,0,0,0,0,2|2,0,0]=4 1792 B11R1.25 CC(CO)CNc1ncc[nH]1 9e20fdf1f283b5213b1e275b9b1636fb [0,0,0,0,0,2|2,0,0]=4 1793 B11R1.25 CC(CO)CNc1ncco1 3a9641478a5f1ffdf761327ca0a9aaab [0,0,0,0,0,2|1,1,0]=4 1794 B11R1.25 CC(CO)CNc1nccs1 5067303bc1db1e2661df2e3b27f38be6 [0,0,0,0,0,2|1,0,0]=3 1795 B11R1.25 CC(CO)CNc1ncns1 c10aef07683a5e62305e53bc1511c459 [0,0,0,0,0,2|2,0,0]=4 1796 B11R1.25 CC(CO)CNc1nncs1 879ebcd9de0f66196b8874fc9b0bdda0 [0,0,0,0,0,2|2,0,0]=4 1797 B11R1.25 CC(CO)NCc1cccs1 00a9c9f16ef261f122a5837659fa4e9f [0,0,0,0,0,2|2,0,0]=4 1798 B11R1.25 CC(CO)NCc1ncc[nH]1 0e17b0a3cad2c48521713c9efa2d9199 [0,0,0,0,0,2|2,0,0]=4 1799 B11R1.25 CC(CO)NCc1ncco1 0f12ab6bcd2e57fc529e71772d7fca21 [0,0,0,0,0,2|1,1,0]=4 1800 B11R1.25 CC(CO)NCc1nccs1 fed0ec5f970007701b5b0e2a83a855ad [0,0,0,0,0,2|1,0,0]=3 1801 B11R1.25 CC(CS)OCc1cccs1 faf25675285219dbed4aac1af10ed644 [0,0,0,0,0,2|2,0,0]=4 1802 B11R1.25 CC(CS)OCc1ncc[nH]1 dc65a61d9c30709cf7f151ac8025ba3f [0,0,0,0,0,2|2,0,0]=4 1803 B11R1.25 CC(CS)OCc1ncco1 78a76b74690e38c6b7dc30d4420f0067 [0,0,0,0,0,2|1,1,0]=4 1804 B11R1.25 CC(CS)OCc1nccs1 72d36a724e0d8aaeea3ac496cf3d0126 [0,0,0,0,0,2|1,0,0]=3 1805 B11R1.25 CCC(=O)CNc1nccs1 f96c22ed9aa1e85023b846bc3829aa18 [0,0,0,0,0,2|1,0,1]=4 1806 B11R1.25 CCC(=O)COc1nccs1 7db71ad47fd7728c3ddad7ba378ac6b5 [0,0,0,0,0,2|1,0,1]=4 1807 B11R1.25 CCC(=O)NCc1nccs1 ef8f755cf84c310f41b86bcd4a497d12 [0,0,0,0,0,2|1,0,1]=4 1808 B11R1.25 CCC(C)CNc1c[nH]cn1 feacb1dd138e77387faebefd1836e096 [0,0,0,0,0,2|2,0,0]=4 1809 B11R1.25 CCC(C)CNc1cc[nH]n1 9062e94d03b5995899fb54d4af7cd72e [0,0,0,0,0,2|2,0,0]=4 1810 B11R1.25 CCC(C)CNc1cccs1 719002605602d496bf65e7aa6778850d [0,0,0,0,0,2|1,0,0]=3 1811 B11R1.25 CCC(C)CNc1ccns1 bae5436df3629ac6271383de30f089dc [0,0,0,0,0,2|2,0,0]=4 1812 B11R1.25 CCC(C)CNc1ccon1 5c8a42d1795a33ce2f986ff000ec8d28 [0,0,0,0,0,2|2,0,0]=4 1813 B11R1.25 CCC(C)CNc1cncs1 8c87b8fdaff643d4f36a14b3f43e4f85 [0,0,0,0,0,2|2,0,0]=4 1814 B11R1.25 CCC(C)CNc1cocn1 e4e4c893c6773d08c2ec28f0f01f2669 [0,0,0,0,0,2|2,0,0]=4 1815 B11R1.25 CCC(C)CNc1cscn1 71da227adf0a473bb6fc55520ac1f382 [0,0,0,0,0,2|2,0,0]=4 1816 B11R1.25 CCC(C)CNc1nc[nH]n1 e30f8893efba4401b7f8081cb2d57d04 [0,0,0,0,0,2|2,0,0]=4 1817 B11R1.25 CCC(C)CNc1ncc[nH]1 7ab47af6d52f0f81f7ea4bf98538d712 [0,0,0,0,0,2|1,0,0]=3 1818 B11R1.25 CCC(C)CNc1ncco1 9bff6017d9e131868149393a9636320f [0,0,0,0,0,2|0,1,0]=3 1819 B11R1.25 CCC(C)CNc1nccs1 9a650a0be5c9d2f1d733cccfe8b54c36 [0,0,0,0,0,2|0,0,0]=2 1820 B11R1.25 CCC(C)CNc1ncns1 a91c539de2676e181a02a2f9d2524346 [0,0,0,0,0,2|1,0,0]=3 1821 B11R1.25 CCC(C)CNc1ncon1 6d08428921ba1361e755d4e6494ec2b1 [0,0,0,0,0,2|2,0,0]=4 1822 B11R1.25 CCC(C)CNc1nnco1 27573843b85ef5c2f5fdfd0353090efb [0,0,0,0,0,2|1,1,0]=4 1823 B11R1.25 CCC(C)CNc1nncs1 e96abcd2fda86f74c440ebdd66a1cd1a [0,0,0,0,0,2|1,0,0]=3 1824 B11R1.25 CCC(C)CNc1nnns1 9388d36f8f108ee93e315fe8cd6eb076 [0,0,0,0,0,2|2,0,0]=4 1825 B11R1.25 CCC(C)COc1c[nH]cn1 81c421f75b24b87e7698071fa13440c5 [0,0,0,0,0,2|2,0,0]=4 1826 B11R1.25 CCC(C)COc1ccco1 82daf9b75022db52f0e1a8a1ed2263d3 [0,0,0,0,0,2|1,1,0]=4 1827 B11R1.25 CCC(C)COc1cccs1 22937857e8dff98d6437b2766e53db72 [0,0,0,0,0,2|1,0,0]=3 1828 B11R1.25 CCC(C)COc1nccs1 534a5123408a807e859f19cf7b5354b2 [0,0,0,0,0,2|0,0,0]=2 1829 B11R1.25 CCC(C)COc1nncs1 01d6e5aba5401ae47e77a39a04572387 [0,0,0,0,0,2|1,0,0]=3 1830 B11R1.25 CCC(C)COn1cccn1 becf077d791e2cc0aeedace549fcea7b [0,0,0,0,0,2|2,0,0]=4 1831 B11R1.25 CCC(C)NCc1ccc[nH]1 dfe1641eb23b0efdceb0290726a654e3 [0,0,0,0,0,2|1,0,1]=4 1832 B11R1.25 CCC(C)NCc1ccco1 5f8142dfde0b789474d1611a11bd8a03 [0,0,0,0,0,2|1,1,0]=4 1833 B11R1.25 CCC(C)NCc1cccs1 f4bcf10ac56668adcfee83149ad55330 [0,0,0,0,0,2|1,0,0]=3 1834 B11R1.25 CCC(C)NCc1ccns1 6e12222a8c95c70020a02e67a80bb564 [0,0,0,0,0,2|2,0,0]=4 1835 B11R1.25 CCC(C)NCc1ccon1 f0ba1b7fec8685c635a1841aa831e5bf [0,0,0,0,0,2|2,0,0]=4 1836 B11R1.25 CCC(C)NCc1ccsn1 1bd61f6799ec35faa528b337bf63363f [0,0,0,0,0,2|2,0,0]=4 1837 B11R1.25 CCC(C)NCc1cocn1 95653cfc38046df4c595d9332be3f888 [0,0,0,0,0,2|2,0,0]=4 1838 B11R1.25 CCC(C)NCc1cscn1 3f36e14eb8acb2a3868067189729c57a [0,0,0,0,0,2|2,0,0]=4 1839 B11R1.25 CCC(C)NCc1ncc[nH]1 231b7801e3e25e1e656d75e8148ead7a [0,0,0,0,0,2|1,0,0]=3 1840 B11R1.25 CCC(C)NCc1ncco1 b2a3e5f302e72b4baaa7fa833eb43a6d [0,0,0,0,0,2|0,1,0]=3 1841 B11R1.25 CCC(C)NCc1nccs1 f1806a38612384d531431fbb92493421 [0,0,0,0,0,2|0,0,0]=2 1842 B11R1.25 CCC(C)NCc1ncn[nH]1 a7553d013a2b1b25f242d796a558f406 [0,0,0,0,0,2|2,0,0]=4 1843 B11R1.25 CCC(C)NCc1ncon1 a67e45fa7d01ad4810657cc8dd1e2ee9 [0,0,0,0,0,2|2,0,0]=4 1844 B11R1.25 CCC(C)NCn1nccn1 63bbc1271d576d1ffc9146c402dc7b0b [0,0,0,0,0,2|2,0,0]=4 1845 B11R1.25 CCC(C)OCc1ccc[nH]1 9704405f8dd480f3861820e81be98d46 [0,0,0,0,0,2|1,0,1]=4 1846 B11R1.25 CCC(C)OCc1ccco1 1d3865e51cab5c0be5992c253ab61007 [0,0,0,0,0,2|1,1,0]=4 1847 B11R1.25 CCC(C)OCc1cccs1 ed5b0e54c3ce9b4fbd0e1c89d3109802 [0,0,0,0,0,2|1,0,0]=3 1848 B11R1.25 CCC(C)OCc1ccns1 d78e9793cedc92ec4cb25aae9f2419d2 [0,0,0,0,0,2|2,0,0]=4 1849 B11R1.25 CCC(C)OCc1ccon1 32a6519a8830b341843518eb0942c06a [0,0,0,0,0,2|2,0,0]=4 1850 B11R1.25 CCC(C)OCc1ccsn1 325fa044018c01cd3b301301402dcb69 [0,0,0,0,0,2|2,0,0]=4 1851 B11R1.25 CCC(C)OCc1cocn1 76d0ce33b3982f6b55613b2bad799bba [0,0,0,0,0,2|2,0,0]=4 1852 B11R1.25 CCC(C)OCc1cscn1 0614ad1eb89bf66a4d97c59a7d0987f1 [0,0,0,0,0,2|2,0,0]=4 1853 B11R1.25 CCC(C)OCc1nc[nH]n1 7695d4b2100dde7c9bd863808a6218fd [0,0,0,0,0,2|2,0,0]=4 1854 B11R1.25 CCC(C)OCc1ncc[nH]1 39447ce50b3391ec5951144939042b20 [0,0,0,0,0,2|1,0,0]=3 1855 B11R1.25 CCC(C)OCc1ncco1 904158ce6bcd0097d4f0ca8fee5a984d [0,0,0,0,0,2|0,1,0]=3 1856 B11R1.25 CCC(C)OCc1nccs1 d5b27e792ce284504f9f4dced85178ec [0,0,0,0,0,2|0,0,0]=2 1857 B11R1.25 CCC(C)OCc1ncno1 0695d31cad36c1278d6bd360bda15f09 [0,0,0,0,0,2|1,1,0]=4 1858 B11R1.25 CCC(C)OCc1ncns1 e70afd608d71bd7f9e20f942cf3fe2e7 [0,0,0,0,0,2|1,0,0]=3 1859 B11R1.25 CCC(C)OCc1ncon1 e0ec77abebece5ae122da580fc4fcd6b [0,0,0,0,0,2|2,0,0]=4 1860 B11R1.25 CCC(C)OCc1nnco1 46fa92df38ef550a6bb1a1c1fcbf46bd [0,0,0,0,0,2|1,1,0]=4 1861 B11R1.25 CCC(C)OCn1cccn1 e9eef6f41ed2720c01b6aaec2fb015b0 [0,0,0,0,0,2|2,0,0]=4 1862 B11R1.25 CCC(C)OCn1nccn1 db9fe3cac6b9540c0cb4bbf506988b91 [0,0,0,0,0,2|2,0,0]=4 1863 B11R1.25 CCC(O)CNc1ncc[nH]1 b5253a0dacb763b45f456b2b904ee950 [0,0,0,0,0,2|2,0,0]=4 1864 B11R1.25 CCC(O)CNc1ncco1 07030d95b264524e26936f7ebb505323 [0,0,0,0,0,2|1,1,0]=4 1865 B11R1.25 CCC(O)CNc1nccs1 19df48c4da5478fe504cd24a1465b4e0 [0,0,0,0,0,2|1,0,0]=3 1866 B11R1.25 CCC(O)CNc1ncns1 db6710abaf0f0c9f92c2623fbc4204b1 [0,0,0,0,0,2|2,0,0]=4 1867 B11R1.25 CCC(O)CNc1nncs1 4dda7b8de0d0d556752f487e095c956c [0,0,0,0,0,2|2,0,0]=4 1868 B11R1.25 CCN(C)CCc1cccs1 ba1df1d99619458f39bdb79d38c399fb [0,0,0,0,0,2|2,0,0]=4 1869 B11R1.25 CC[C@@H](C)CNc1cc[nH]n1 a9f5d93cfb14e450b281e019b27981e6 [0,0,0,0,0,2|2,0,0]=4 1870 B11R1.25 CC[C@@H](C)CNc1cccs1 f88bb69c6e9f83a12f594a06fdf66307 [0,0,0,0,0,2|1,0,0]=3 1871 B11R1.25 CC[C@@H](C)CNc1ccns1 d30439f1c5b6db33e78dda7b3f68a606 [0,0,0,0,0,2|2,0,0]=4 1872 B11R1.25 CC[C@@H](C)CNc1ccon1 63c3c0769c080dc40442f672775021d1 [0,0,0,0,0,2|2,0,0]=4 1873 B11R1.25 CC[C@@H](C)CNc1cncs1 cf5e2aa6ab1d5f12d4f6c91883685155 [0,0,0,0,0,2|2,0,0]=4 1874 B11R1.25 CC[C@@H](C)CNc1cocn1 53bb98b1c36fe3bbe10b223e69d2e918 [0,0,0,0,0,2|2,0,0]=4 1875 B11R1.25 CC[C@@H](C)CNc1cscn1 238a945bbd462f88863f62f195ae040e [0,0,0,0,0,2|2,0,0]=4 1876 B11R1.25 CC[C@@H](C)CNc1nc[nH]n1 499b6d779c4fb8eb640cf61283a41d76 [0,0,0,0,0,2|2,0,0]=4 1877 B11R1.25 CC[C@@H](C)CNc1ncc[nH]1 27ddb121146d7a2088e49581d982e416 [0,0,0,0,0,2|1,0,0]=3 1878 B11R1.25 CC[C@@H](C)CNc1ncco1 27405b8857f0fa342cdba4ca8b725aad [0,0,0,0,0,2|0,1,0]=3 1879 B11R1.25 CC[C@@H](C)CNc1nccs1 86e4ed310c9b665501173f790eb317b4 [0,0,0,0,0,2|0,0,0]=2 1880 B11R1.25 CC[C@@H](C)CNc1ncns1 22e93aa5e37d59aad963d94bc45fef5a [0,0,0,0,0,2|1,0,0]=3 1881 B11R1.25 CC[C@@H](C)CNc1ncon1 c145755e2392273ffc794a421c31ed4e [0,0,0,0,0,2|2,0,0]=4 1882 B11R1.25 CC[C@@H](C)CNc1nnco1 39131932a490c63b8ff21808a4e0d581 [0,0,0,0,0,2|1,1,0]=4 1883 B11R1.25 CC[C@@H](C)CNc1nncs1 6551f6a3ef4312128d1e551902ae70ca [0,0,0,0,0,2|1,0,0]=3 1884 B11R1.25 CC[C@@H](C)CNc1nnns1 367b33cc7cb8b6f9d6699df27bbb3d90 [0,0,0,0,0,2|2,0,0]=4 1885 B11R1.25 CC[C@@H](C)COc1c[nH]cn1 e2fd17a4f003ab36044266e600b814d9 [0,0,0,0,0,2|2,0,0]=4 1886 B11R1.25 CC[C@@H](C)COc1ccco1 fe756872e20a8d4589f7190b98a97cbb [0,0,0,0,0,2|1,1,0]=4 1887 B11R1.25 CC[C@@H](C)COc1cccs1 a8a82373e9b283f8c47ede5693410289 [0,0,0,0,0,2|1,0,0]=3 1888 B11R1.25 CC[C@@H](C)COc1nccs1 0f0cba1ec56fc9fe075c3ad4382f1654 [0,0,0,0,0,2|0,0,0]=2 1889 B11R1.25 CC[C@@H](C)COc1nncs1 120c0e733b51fbb916a47753125960be [0,0,0,0,0,2|1,0,0]=3 1890 B11R1.25 CC[C@@H](C)COn1cccn1 5f8dd20ec4ef613bf9aad4e16a58dbe2 [0,0,0,0,0,2|2,0,0]=4 1891 B11R1.25 CC[C@@H](C)NCc1cccs1 176e8bf973939cacbab0c9f61c945a33 [0,0,0,0,0,2|1,0,0]=3 1892 B11R1.25 CC[C@@H](C)NCc1ccon1 7c194756c2d4b22893e5255ce3ae51df [0,0,0,0,0,2|2,0,0]=4 1893 B11R1.25 CC[C@@H](C)NCc1cocn1 4d1e2f4a41b28f69f764c2b35178e560 [0,0,0,0,0,2|2,0,0]=4 1894 B11R1.25 CC[C@@H](C)NCc1cscn1 bc8ebedea57c41ec98f92548173bf5a6 [0,0,0,0,0,2|2,0,0]=4 1895 B11R1.25 CC[C@@H](C)NCc1nc[nH]n1 850442a972919d0068e064f407e81f61 [0,0,0,0,0,2|2,0,0]=4 1896 B11R1.25 CC[C@@H](C)NCc1ncc[nH]1 40dfb055566880d8936bdd2397f2510d [0,0,0,0,0,2|1,0,0]=3 1897 B11R1.25 CC[C@@H](C)NCc1ncco1 bf3cc43e5d4513b5b816d55d67b8664e [0,0,0,0,0,2|0,1,0]=3 1898 B11R1.25 CC[C@@H](C)NCc1nccs1 3696c22674463bf4a1fc394b63b8e0e2 [0,0,0,0,0,2|0,0,0]=2 1899 B11R1.25 CC[C@@H](C)NCc1ncon1 fb982e7412bb38c625737a970a0aa0f6 [0,0,0,0,0,2|2,0,0]=4 1900 B11R1.25 CC[C@@H](C)NCn1nccn1 997a1684ccf8c789a689058d824df85d [0,0,0,0,0,2|2,0,0]=4 1901 B11R1.25 CC[C@@H](C)OCc1ccco1 a76b1dfd367e870139dad05cc969c789 [0,0,0,0,0,2|1,1,0]=4 1902 B11R1.25 CC[C@@H](C)OCc1cccs1 3647e5c786191fbccae15396ed3cbc17 [0,0,0,0,0,2|1,0,0]=3 1903 B11R1.25 CC[C@@H](C)OCc1ccon1 f479e4939879d806b3bee6c276beeac7 [0,0,0,0,0,2|2,0,0]=4 1904 B11R1.25 CC[C@@H](C)OCc1cocn1 a3334214bcbdbcee0a28a0043a3b6704 [0,0,0,0,0,2|2,0,0]=4 1905 B11R1.25 CC[C@@H](C)OCc1cscn1 79ca41c10e3826388b2ad4e16031242f [0,0,0,0,0,2|2,0,0]=4 1906 B11R1.25 CC[C@@H](C)OCc1nc[nH]n1 ab8a97c454abbc0e0e80abdfa432bd4f [0,0,0,0,0,2|2,0,0]=4 1907 B11R1.25 CC[C@@H](C)OCc1ncc[nH]1 f832afe3d0883dca96404e072f71257c [0,0,0,0,0,2|1,0,0]=3 1908 B11R1.25 CC[C@@H](C)OCc1ncco1 a31617493743d569d00eac329d66c5a7 [0,0,0,0,0,2|0,1,0]=3 1909 B11R1.25 CC[C@@H](C)OCc1nccs1 b635d6b73497b300b93deccd1879dff5 [0,0,0,0,0,2|0,0,0]=2 1910 B11R1.25 CC[C@@H](C)OCc1ncon1 ceec36c11059bc82321788799a4bfe09 [0,0,0,0,0,2|2,0,0]=4 1911 B11R1.25 CC[C@@H](C)OCc1nnco1 6f60f96221593eb43956d79551d8ffad [0,0,0,0,0,2|1,1,0]=4 1912 B11R1.25 CC[C@@H](C)OCn1nccn1 00055fa640ffd1e8cc03a1014a1cef2d [0,0,0,0,0,2|2,0,0]=4 1913 B11R1.25 CC[C@@H](O)CNc1ncco1 2eb07283e2f4550a6a54c236f764da8a [0,0,0,0,0,2|1,1,0]=4 1914 B11R1.25 CC[C@@H](O)CNc1nccs1 363bddd81469c5defd006f53566f7e9f [0,0,0,0,0,2|1,0,0]=3 1915 B11R1.25 CC[C@H](C)CNc1c[nH]cn1 31504ffae08635387f8f401604ae2d55 [0,0,0,0,0,2|2,0,0]=4 1916 B11R1.25 CC[C@H](C)CNc1cc[nH]n1 d873a488e23bccccff27bcb9ed632ee0 [0,0,0,0,0,2|2,0,0]=4 1917 B11R1.25 CC[C@H](C)CNc1cccs1 528b0369c1a80c82b116b99478794ea0 [0,0,0,0,0,2|1,0,0]=3 1918 B11R1.25 CC[C@H](C)CNc1ccns1 8fc30836bd50e68a0519b049e5aa9f78 [0,0,0,0,0,2|2,0,0]=4 1919 B11R1.25 CC[C@H](C)CNc1ccon1 036d5e1fae4813e9f7cac2413ed8ab57 [0,0,0,0,0,2|2,0,0]=4 1920 B11R1.25 CC[C@H](C)CNc1cncs1 f06040d46f131bdeefb59d80a31fa236 [0,0,0,0,0,2|2,0,0]=4 1921 B11R1.25 CC[C@H](C)CNc1cocn1 8a1e1363b618ac7ecb6acd6a9f3b3679 [0,0,0,0,0,2|2,0,0]=4 1922 B11R1.25 CC[C@H](C)CNc1cscn1 46938cc590189f82a7ae3b9488b01b4d [0,0,0,0,0,2|2,0,0]=4 1923 B11R1.25 CC[C@H](C)CNc1nc[nH]n1 26e91af4f2ca247422f1bbe6bca6bd85 [0,0,0,0,0,2|2,0,0]=4 1924 B11R1.25 CC[C@H](C)CNc1ncc[nH]1 0441c54ca5c0f34b78fee0ce00a40db6 [0,0,0,0,0,2|1,0,0]=3 1925 B11R1.25 CC[C@H](C)CNc1ncco1 d706acc2b66dd572d8d748bd2230e850 [0,0,0,0,0,2|0,1,0]=3 1926 B11R1.25 CC[C@H](C)CNc1nccs1 5999010e82803f13c7c51e869e43576e [0,0,0,0,0,2|0,0,0]=2 1927 B11R1.25 CC[C@H](C)CNc1ncns1 5a8a868a39a5d077f048522f59e54955 [0,0,0,0,0,2|1,0,0]=3 1928 B11R1.25 CC[C@H](C)CNc1ncon1 694d71c8d07b2579fb2d8369b952596d [0,0,0,0,0,2|2,0,0]=4 1929 B11R1.25 CC[C@H](C)CNc1nnco1 5de57921565560a560705f81426b8d1c [0,0,0,0,0,2|1,1,0]=4 1930 B11R1.25 CC[C@H](C)CNc1nncs1 fda277b60ec05d135b996ad9e3676b19 [0,0,0,0,0,2|1,0,0]=3 1931 B11R1.25 CC[C@H](C)CNc1nnns1 7ab648c6dd687df9a70cf858617c2c8a [0,0,0,0,0,2|2,0,0]=4 1932 B11R1.25 CC[C@H](C)COc1c[nH]cn1 af1b05be2d0b3b21c6ae7f26b601ccc6 [0,0,0,0,0,2|2,0,0]=4 1933 B11R1.25 CC[C@H](C)COc1ccco1 350557fd898c2c60bb4ffc046ace81ec [0,0,0,0,0,2|1,1,0]=4 1934 B11R1.25 CC[C@H](C)COc1cccs1 a1cf12afbd0571b4289f48578ecfad7c [0,0,0,0,0,2|1,0,0]=3 1935 B11R1.25 CC[C@H](C)COc1nccs1 4351045ddfb572a1de0480c3f9f67325 [0,0,0,0,0,2|0,0,0]=2 1936 B11R1.25 CC[C@H](C)COc1nncs1 1dc35b21aa338a83bd17f287e9ddd1de [0,0,0,0,0,2|1,0,0]=3 1937 B11R1.25 CC[C@H](C)COn1cccn1 c43f2f602d3a4388eb0c5131ed766d1b [0,0,0,0,0,2|2,0,0]=4 1938 B11R1.25 CC[C@H](C)NCc1cccs1 cc8e2cf48d22633247d559ee5b10c832 [0,0,0,0,0,2|1,0,0]=3 1939 B11R1.25 CC[C@H](C)NCc1ccon1 01da349bff64e08285e9934d70833776 [0,0,0,0,0,2|2,0,0]=4 1940 B11R1.25 CC[C@H](C)NCc1cocn1 3d6dea379e0d08202473245169db556d [0,0,0,0,0,2|2,0,0]=4 1941 B11R1.25 CC[C@H](C)NCc1cscn1 7c1ff44812c2b9f5f2e5b8a18da39124 [0,0,0,0,0,2|2,0,0]=4 1942 B11R1.25 CC[C@H](C)NCc1nc[nH]n1 f4ec67c1966597ccbcea35c93f20ab25 [0,0,0,0,0,2|2,0,0]=4 1943 B11R1.25 CC[C@H](C)NCc1ncc[nH]1 e63d9b904ec8dfb1fe1ce445c10d7a2d [0,0,0,0,0,2|1,0,0]=3 1944 B11R1.25 CC[C@H](C)NCc1ncco1 5fac855b5b0c1bc33b4cf33f54d7dc74 [0,0,0,0,0,2|0,1,0]=3 1945 B11R1.25 CC[C@H](C)NCc1nccs1 8f56052b04c82fa642a57b186989db05 [0,0,0,0,0,2|0,0,0]=2 1946 B11R1.25 CC[C@H](C)NCc1ncon1 760ae3fdac8fb7b9720adcaa60f07c58 [0,0,0,0,0,2|2,0,0]=4 1947 B11R1.25 CC[C@H](C)NCn1nccn1 b5ca3bf8017cc40ea59df9a2fd619654 [0,0,0,0,0,2|2,0,0]=4 1948 B11R1.25 CC[C@H](C)OCc1ccco1 f9cdf73fec17b5adbe5d6d95690f8ec6 [0,0,0,0,0,2|1,1,0]=4 1949 B11R1.25 CC[C@H](C)OCc1cccs1 bd45cdf2dba9c6543a04d66b2d5ac835 [0,0,0,0,0,2|1,0,0]=3 1950 B11R1.25 CC[C@H](C)OCc1ccon1 fc6bd14a0bc3040ebe193daf0a42265e [0,0,0,0,0,2|2,0,0]=4 1951 B11R1.25 CC[C@H](C)OCc1cocn1 4083c839d7e4833247919dcbade8b4ec [0,0,0,0,0,2|2,0,0]=4 1952 B11R1.25 CC[C@H](C)OCc1cscn1 c0b1bb4c83484cc13917e4eaf88a9c45 [0,0,0,0,0,2|2,0,0]=4 1953 B11R1.25 CC[C@H](C)OCc1nc[nH]n1 017f904a373b11d52aeaa7ac9ab010ae [0,0,0,0,0,2|2,0,0]=4 1954 B11R1.25 CC[C@H](C)OCc1ncc[nH]1 82ac3bb5d59644b7594b30e475cb48e3 [0,0,0,0,0,2|1,0,0]=3 1955 B11R1.25 CC[C@H](C)OCc1ncco1 48bd22762b919f6018f53ef0d0fd1aa4 [0,0,0,0,0,2|0,1,0]=3 1956 B11R1.25 CC[C@H](C)OCc1nccs1 61b9f5f48e5d78c76237e2a5cbc8d384 [0,0,0,0,0,2|0,0,0]=2 1957 B11R1.25 CC[C@H](C)OCc1ncon1 53655697a138a96025aedc1fb9cac60a [0,0,0,0,0,2|2,0,0]=4 1958 B11R1.25 CC[C@H](C)OCc1nnco1 a62b2969bb7ef369d703046689bde7f4 [0,0,0,0,0,2|1,1,0]=4 1959 B11R1.25 CC[C@H](C)OCn1nccn1 16dbb4aaf8eb1bc4a23898c3b68b5098 [0,0,0,0,0,2|2,0,0]=4 1960 B11R1.25 COC(C)CNc1cccs1 c4c2fecde12301d8b0282dddfd2f9504 [0,0,0,0,0,2|2,0,0]=4 1961 B11R1.25 COC(C)CNc1ncc[nH]1 b280e30d91f0cfd0cf8e68710268448a [0,0,0,0,0,2|2,0,0]=4 1962 B11R1.25 COC(C)CNc1ncco1 c0386e2cde7ba4f625ff0f41f126e1d9 [0,0,0,0,0,2|1,1,0]=4 1963 B11R1.25 COC(C)CNc1nccs1 00778b03f14c0bcfd011ef7bd17b59b6 [0,0,0,0,0,2|1,0,0]=3 1964 B11R1.25 COC(C)CNc1ncns1 548a3bb3fe94d767752511840bc95be0 [0,0,0,0,0,2|2,0,0]=4 1965 B11R1.25 COC(C)CNc1nncs1 e7ed32f1a64b7712fe7a549df86b7a77 [0,0,0,0,0,2|2,0,0]=4 1966 B11R1.25 COC(C)COc1cccs1 9f10d3bbe54420e35376d35fa4ea22f5 [0,0,0,0,0,2|2,0,0]=4 1967 B11R1.25 COC(C)COc1nccs1 cf8fd5885895a6303ee103a08d951f86 [0,0,0,0,0,2|1,0,0]=3 1968 B11R1.25 COC(C)COc1nncs1 eda66271d2221f3a0b06901f2206f687 [0,0,0,0,0,2|2,0,0]=4 1969 B11R1.25 CO[C@@H](C)CNc1cccs1 525908e5c54683eedd0d5312dda56c1f [0,0,0,0,0,2|2,0,0]=4 1970 B11R1.25 CO[C@@H](C)CNc1ncc[nH]1 02257713f821e9bdd9b6b095feee62bc [0,0,0,0,0,2|2,0,0]=4 1971 B11R1.25 CO[C@@H](C)CNc1ncco1 9b2f3aefbe8a350351842e1b063a0a28 [0,0,0,0,0,2|1,1,0]=4 1972 B11R1.25 CO[C@@H](C)CNc1nccs1 9c2f6a90c7adeb3bd7ae0372498d9bd5 [0,0,0,0,0,2|1,0,0]=3 1973 B11R1.25 CO[C@@H](C)CNc1ncns1 6147d42035a76185b471fd3cc3657ff1 [0,0,0,0,0,2|2,0,0]=4 1974 B11R1.25 CO[C@@H](C)CNc1nncs1 8299b605d55177635f9267aec9741219 [0,0,0,0,0,2|2,0,0]=4 1975 B11R1.25 CO[C@@H](C)COc1cccs1 f1cbc3c28cc6639889fa3b36ddc0bb2a [0,0,0,0,0,2|2,0,0]=4 1976 B11R1.25 CO[C@@H](C)COc1nccs1 e885e8427d79e38c383343cc7b673252 [0,0,0,0,0,2|1,0,0]=3 1977 B11R1.25 CO[C@@H](C)COc1nncs1 8b8ec8ddc50a20704d2037e2c8b2731d [0,0,0,0,0,2|2,0,0]=4 1978 B11R1.25 CO[C@H](C)CNc1cccs1 2c7e909abe7649dec8a45da80c668e6e [0,0,0,0,0,2|2,0,0]=4 1979 B11R1.25 CO[C@H](C)CNc1ncc[nH]1 b7ec7bc855a05bdb8083b6cb2f572f98 [0,0,0,0,0,2|2,0,0]=4 1980 B11R1.25 CO[C@H](C)CNc1ncco1 9a83a91a45500ccd12373084c7ac5528 [0,0,0,0,0,2|1,1,0]=4 1981 B11R1.25 CO[C@H](C)CNc1nccs1 2e550c90971226a368e67d78fc935eda [0,0,0,0,0,2|1,0,0]=3 1982 B11R1.25 CO[C@H](C)CNc1ncns1 b6e9740c49ecc7ec03448343eaef17c0 [0,0,0,0,0,2|2,0,0]=4 1983 B11R1.25 CO[C@H](C)CNc1nncs1 ba8a02a1b2ce7049008468e906fe2d64 [0,0,0,0,0,2|2,0,0]=4 1984 B11R1.25 CO[C@H](C)COc1cccs1 4cf78b41a8911247d096ddceaf26e53e [0,0,0,0,0,2|2,0,0]=4 1985 B11R1.25 CO[C@H](C)COc1nccs1 d0407cb9d58749d49ee7c6e61972e80d [0,0,0,0,0,2|1,0,0]=3 1986 B11R1.25 CO[C@H](C)COc1nncs1 a56317ba7032e1607a8f3eecb1fdfa18 [0,0,0,0,0,2|2,0,0]=4 1987 B11R1.25 C[C@@H](CO)CNc1cccs1 3c221bbfdbd70a2e7151c5eaca058c12 [0,0,0,0,0,2|2,0,0]=4 1988 B11R1.25 C[C@@H](CO)CNc1ncc[nH]1 70a31bad94772d9d45e7e2ddcbb4d26e [0,0,0,0,0,2|2,0,0]=4 1989 B11R1.25 C[C@@H](CO)CNc1ncco1 9921f85e38560b5bd95cc8c34e50d923 [0,0,0,0,0,2|1,1,0]=4 1990 B11R1.25 C[C@@H](CO)CNc1nccs1 fa78a702ed6cdfe8b3a69b5b2cd7e36c [0,0,0,0,0,2|1,0,0]=3 1991 B11R1.25 C[C@@H](CO)CNc1ncns1 f764160e2399defc3332d365d17c7a45 [0,0,0,0,0,2|2,0,0]=4 1992 B11R1.25 C[C@@H](CO)CNc1nncs1 840cc4b2debfb25d7f9b4ba607fafddb [0,0,0,0,0,2|2,0,0]=4 1993 B11R1.25 C[C@@H](CO)NCc1cccs1 d8fcc910bc3e48f8aa76ce1963b2b15b [0,0,0,0,0,2|2,0,0]=4 1994 B11R1.25 C[C@@H](CO)NCc1ncc[nH]1 54526e9a24a56130706787f82bacb173 [0,0,0,0,0,2|2,0,0]=4 1995 B11R1.25 C[C@@H](CO)NCc1ncco1 e1a9674fb0dc94586ea02c7711fe7d4e [0,0,0,0,0,2|1,1,0]=4 1996 B11R1.25 C[C@@H](CO)NCc1nccs1 7bf863cb58ad7adf84b7bd1ef9af735f [0,0,0,0,0,2|1,0,0]=3 1997 B11R1.25 C[C@H](C=O)NCc1nccs1 4809916d6b9a9b7c2b631612927b9f74 [0,0,0,0,0,2|1,0,1]=4 1998 B11R1.25 C[C@H](C=O)OCc1nccs1 abf15c3141af75aeae87e00419d49849 [0,0,0,0,0,2|1,0,1]=4 1999 B11R1.25 C[C@H](CO)CNc1cccs1 9da4c361a8dcef4f13e49dae1801c663 [0,0,0,0,0,2|2,0,0]=4 2000 B11R1.25 C[C@H](CO)CNc1ncc[nH]1 20fa737f73625abe9d12c4341821ac42 [0,0,0,0,0,2|2,0,0]=4 2001 B11R1.25 C[C@H](CO)CNc1ncco1 8db5837709caf57981fe37c324ce1b69 [0,0,0,0,0,2|1,1,0]=4 2002 B11R1.25 C[C@H](CO)CNc1nccs1 650dd120adab65e70b895e18e01b45f6 [0,0,0,0,0,2|1,0,0]=3 2003 B11R1.25 C[C@H](CO)CNc1ncns1 139f2bf4536e61b50d801f2662ca1cc5 [0,0,0,0,0,2|2,0,0]=4 2004 B11R1.25 C[C@H](CO)CNc1nncs1 7184089b753623c45a0b4d859b3052b2 [0,0,0,0,0,2|2,0,0]=4 2005 B11R1.25 C[C@H](CO)NCc1cccs1 3a6767b03ae7d2d9b73ba88d96827a42 [0,0,0,0,0,2|2,0,0]=4 2006 B11R1.25 C[C@H](CO)NCc1ncc[nH]1 5242706886dd27a55c979d9c4ad65a6b [0,0,0,0,0,2|2,0,0]=4 2007 B11R1.25 C[C@H](CO)NCc1ncco1 577384531284a31c70cd2246256b63d5 [0,0,0,0,0,2|1,1,0]=4 2008 B11R1.25 C[C@H](CO)NCc1nccs1 0e5fb1b65b8f2046594f43dc9e4bfc20 [0,0,0,0,0,2|1,0,0]=3 2009 B11R1.25 C[C@H](CS)OCc1cccs1 4b5c8f53d7fe4176851f153a261ea2f8 [0,0,0,0,0,2|2,0,0]=4 2010 B11R1.25 C[C@H](CS)OCc1ncc[nH]1 f90be5b2e2be1d98187c5162bb7d5891 [0,0,0,0,0,2|2,0,0]=4 2011 B11R1.25 C[C@H](CS)OCc1ncco1 80dea45deab8c0f6fcda7b561fdfb6c8 [0,0,0,0,0,2|1,1,0]=4 2012 B11R1.25 C[C@H](CS)OCc1nccs1 9bd59887f74104a6e007092c8ece4871 [0,0,0,0,0,2|1,0,0]=3 2013 B11R1.25 OC(CF)CNc1nccs1 68bdffacb0498271aca7323e06a4d3ed [0,0,0,0,0,2|2,0,0]=4 2014 B11R1.25 OCC(F)CNc1nccs1 659b637c11b93a08d20d9598715d38f7 [0,0,0,0,0,2|2,0,0]=4 2015 B11R1.25 OCC(O)CNc1nccs1 491b283a73c5005e96beb753f0a280b5 [0,0,0,0,0,2|2,0,0]=4 2016 B11R1.25 OCC(O)COc1nccs1 bed98510466de6debbd6f17b03b7ab6a [0,0,0,0,0,2|2,0,0]=4 2017 B11R1.25 OC[C@@H](F)CNc1nccs1 14f38ffc5d931b46304f54d6bb12bb35 [0,0,0,0,0,2|2,0,0]=4 2018 B11R1.25 OC[C@@H](O)CNc1nccs1 118a9574a103fad184e16d574e4ddc02 [0,0,0,0,0,2|2,0,0]=4 2019 B11R1.25 OC[C@@H](O)COc1nccs1 ae45303dad212eaeebbbc6d20ebbad35 [0,0,0,0,0,2|2,0,0]=4 2020 B11R1.25 OC[C@H](F)CNc1nccs1 06952e3c7b15ef937f503fac5ec7ee48 [0,0,0,0,0,2|2,0,0]=4 2021 B11R1.25 OC[C@H](O)CNc1nccs1 65ad87ec10aeb3f29ec2f263711efacc [0,0,0,0,0,2|2,0,0]=4 2022 B11R1.25 OC[C@H](O)COc1nccs1 ac8739591618592e1ba9a74aebc7197d [0,0,0,0,0,2|2,0,0]=4