0 B10R1.15 CCN(C)c1ccccc1 9cc6568b1f30abe04427bdea858da30e [0,0,0,0,0,0|2,0,0]=2 1 B10R1.15 CCN(C)c1cccnc1 04b21f569d4c75e23135eca19e8dfd7f [0,0,0,0,0,0|3,0,0]=3 2 B10R1.15 CCN(C)c1ccncc1 b94b8554b6698451ca404459911593cc [0,0,0,0,0,0|3,0,0]=3 3 B10R1.15 CCN(C)c1ccncn1 d3188d994a55f552daffb246c4de2ff9 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.15 CCN(C)c1ccnnc1 1ac91ab60a635fb5329291a771fa3c6f [0,0,0,0,0,0|4,0,0]=4 5 B10R1.15 CCN(C)c1cnccn1 a8ffa0df115721fdc6dd2269b8097d32 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.15 CCN(C)c1ncccn1 2190b05b172124b2ca945163c4e222f5 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.15 CN(CF)c1ccccn1 1bdd19ff0d205b3af825ce3149dae35a [0,0,0,0,0,0|4,0,0]=4 8 B10R1.15 CN(CF)c1cccnc1 242d56eee61bf5da227aba2cc8ffb8a2 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.15 CN(CF)c1ccncc1 ce40ba3bf88af1d1b771c6b7bb26d1be [0,0,0,0,0,0|4,0,0]=4 10 B10R1.15 CN(CO)c1ccccn1 a93cc933fdb4d1c91563e07701d40cda [0,0,0,0,0,0|4,0,0]=4 11 B10R1.15 CN(CO)c1cccnc1 021ae75de63d9271d48b9d5b4bd35a1c [0,0,0,0,0,0|4,0,0]=4 12 B10R1.15 CN(CO)c1ccncc1 80b84f29ca23cc8379579376d55abff3 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.8 CCNc1ccccc1 33257e4a9e1d882742dfd4cfddb78cda [1,0,0,0,0,0|1,0,0]=2 14 B9R1.8 CCNc1ccccn1 2525c23bd886b96c78c0be1e9ad1905b [1,0,0,0,0,0|2,0,0]=3 15 B9R1.8 CCNc1cccnc1 e16c06cad87ecb5a3a4a58b6d8537631 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.8 CCNc1cccnn1 8ce46420a68f085572db040256d5d2b7 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.8 CCNc1ccncc1 76118d388bf159fc52a5b3b43773c6d0 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.8 CCNc1ccncn1 e04846be86a5c479e545d0cb402fe182 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.8 CCNc1ccnnc1 84df08ea46526da8091efc8e7dc98bc3 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.8 CCNc1cnccn1 692286fa82997f2fb685e4d3ad5b2443 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.8 CCNc1cncnc1 d22064ed1cc1956224a6568ef26d5099 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.8 CCNc1ncccn1 e5f30c193b5ab11515bad37a4470b1a9 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.8 CCOc1ccccn1 8b10ed115fcb5b65f209d3b07c05b728 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.8 CCOc1cccnc1 efa582b018c37c3ab155936515b551ea [1,0,0,0,0,0|2,0,0]=3 25 B9R1.8 CCOc1ccncc1 365c1eef106f5326bc3144a980f01ba5 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.8 CCOc1ccnnc1 495bf99ef1353fb62f88bfe5786129d6 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.8 CCOc1cnccn1 aa9d1d61b4f8dce5da42fe3ddcc6df85 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.8 CCOc1cncnc1 8629022d8ea6564de249e44f3cfd1da9 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.8 CCOc1ncccn1 c537ae1cbb412be3ee508a248bc8885d [1,0,0,0,0,0|3,0,0]=4 30 B9R1.8 FCNc1ccccc1 c8185de2a7206057ede93409452a493c [1,0,0,0,0,0|2,0,0]=3 31 B9R1.8 FCNc1ccccn1 e54f22e64e1a3858aca2c223c703a3f4 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.8 FCNc1cccnc1 cd4b988ac9022e9beb52f2fd6e6d3819 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.8 FCNc1ccncc1 b2ec03e01efad68d3352b8bfa837899b [1,0,0,0,0,0|3,0,0]=4 34 B9R1.8 FCOc1ccccn1 104b8f973c7a9ebb04a489743f7e956b [1,0,0,0,0,0|3,0,0]=4 35 B9R1.8 FCOc1cccnc1 613341899f57b52454964b4cd6fd2e82 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.8 FCOc1ccncc1 ac9d070deb144d6d363d1c265a3b25fa [1,0,0,0,0,0|3,0,0]=4 37 B9R1.8 OCNc1ccccc1 6a26daba1a11b7282126aadb7f7b8f97 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.8 OCNc1ccccn1 d59bc8d9974c705420d0aeed6cce1b06 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.8 OCNc1cccnc1 68add967e09ec2eee2b71061a3bb94f5 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.8 OCNc1ccncc1 25e64b963b18028da179c82ed337c929 [1,0,0,0,0,0|3,0,0]=4 41 B11R1.12 CCN(C#N)c1ccccc1 0a33bcc251eace95a09e2548bafab86c [0,1,0,0,0,0|2,0,0]=3 42 B11R1.12 CCN(C=O)c1ccccc1 da6bb0dc53f1d66135131d66e3bbe341 [0,1,0,0,0,0|1,0,1]=3 43 B11R1.12 CCN(C=O)c1ccccn1 37ec100e83e1f6ae17d6e3d5e7e2efcf [0,1,0,0,0,0|2,0,1]=4 44 B11R1.12 CCN(C=O)c1cccnc1 480f2644a238345f8cb34be867d4aca8 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.12 CCN(C=O)c1ccncc1 509a741e45cf3609202d1982e0d164de [0,1,0,0,0,0|2,0,1]=4 46 B11R1.12 CCN(CC)c1cccnc1 52601769ca231e644678fff005cbe4b5 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.12 CCN(CC)c1ccncc1 bf026ae365b27c547be52cfeb1478f62 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.12 CCN(CF)c1ccccc1 64bfdf9f1ec7c91dbb7909bf38760f4f [0,1,0,0,0,0|2,0,0]=3 49 B11R1.12 CCN(CF)c1cccnc1 0312fe3f0e237cbe2838982475b5dabc [0,1,0,0,0,0|3,0,0]=4 50 B11R1.12 CCN(CF)c1ccncc1 c298427cc541b05e46a8143cd765c6fe [0,1,0,0,0,0|3,0,0]=4 51 B11R1.12 CCN(CO)c1cccnc1 f2903e21d817aefbbc8f3b43452e9503 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.12 CCN(CO)c1ccncc1 9a2bb89d1d15d0db5baaf2e0ee929a17 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.12 CCN(CO)c1ccnnc1 06cb806f11cf9bba7c79bebd9b9e485c [0,1,0,0,0,0|3,0,0]=4 54 B11R1.12 CCN(CO)c1cnccn1 94eb593a52e2be02f0653b4bfe0a37dd [0,1,0,0,0,0|3,0,0]=4 55 B11R1.12 CCN(CO)c1ncccn1 7fc3343d1c5a1996ccd5e2bad3e82164 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.12 N#CN(CO)c1ccccc1 a68ba6ef8e1f16dac15967f291cfe801 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.16 C#CCN(C)c1ccccc1 3ca89e194431e8e98a41325339f135b2 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.16 C=CCN(C)c1ccccc1 cb57bdb31a063701918aa00f058638bf [0,1,0,0,0,0|2,0,1]=4 59 B11R1.16 CC(NC=O)c1ccccc1 912f825ae8ec09ad8cb929f90e443d73 [0,1,0,0,0,0|2,0,1]=4 60 B11R1.16 CC(NCF)c1ccccn1 0905269fa9a0af5b89b0863135e0ba86 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.16 CC(NCF)c1cccnc1 06f634f0617dadb8cf037734a8a97de2 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.16 CC(NCF)c1ccncc1 52244c9bda4d3b96fb892679ba84673a [0,1,0,0,0,0|3,0,0]=4 63 B11R1.16 CC(NCO)c1ccccn1 92e2d7a3e5eb4a0cf656a3abd8120ca1 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.16 CC(NCO)c1cccnc1 862c30acc11398ef9d9eed839c208db8 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.16 CC(NCO)c1ccncc1 c1d5cc5db08b36fc1a8cd8b573f9e139 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.16 CC(OCF)c1ccccc1 a5a4510633c1500ac034b294490d7f65 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.16 CC(OCF)c1ccccn1 2375003933f3ce846737f38420e767b3 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.16 CC(OCF)c1cccnc1 38385d8a804ea3beb03ef81ac1897631 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.16 CC(OCF)c1ccncc1 6bf0979779201a0d2383a11ee6cede62 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.16 CCCN(C)c1ccccc1 5333b12ce18e2a38096b8e486fed114a [0,1,0,0,0,0|2,0,0]=3 71 B11R1.16 CCCN(C)c1ccccn1 8ff1db8620efe8553f2af13d547cf9e1 [0,1,0,0,0,0|3,0,0]=4 72 B11R1.16 CCCN(C)c1cccnc1 28cb54c9c808eaf7ba52852976110e8a [0,1,0,0,0,0|3,0,0]=4 73 B11R1.16 CCCN(C)c1ccncc1 f3869aa81991c685d55848e048247f3e [0,1,0,0,0,0|3,0,0]=4 74 B11R1.16 CCNC(C)c1ccccc1 af03e39d181c5fd668bda5d6f7d06e14 [0,1,0,0,0,0|1,0,0]=2 75 B11R1.16 CCNC(C)c1ccccn1 1349d82fdb3aca31d54d33a892f4429f [0,1,0,0,0,0|2,0,0]=3 76 B11R1.16 CCNC(C)c1cccnc1 c47433cc5cae1ddbdb53f6ca3e6bfaaf [0,1,0,0,0,0|2,0,0]=3 77 B11R1.16 CCNC(C)c1cccnn1 efc02f97da2becc35b8d266864811e35 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.16 CCNC(C)c1ccncc1 4381b6d20643b9397cf1c3275f14ef7f [0,1,0,0,0,0|2,0,0]=3 79 B11R1.16 CCNC(C)c1ccncn1 22930201dd5caefefa3309491753d9e9 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.16 CCNC(C)c1ccnnc1 0713f69abf6a393210781cec459513ed [0,1,0,0,0,0|3,0,0]=4 81 B11R1.16 CCNC(C)c1cnccn1 3027041055109ccfc9487eb2dd1789f2 [0,1,0,0,0,0|3,0,0]=4 82 B11R1.16 CCNC(C)c1cncnc1 ab3fa3d22d74a84898be02b87f8fd66a [0,1,0,0,0,0|3,0,0]=4 83 B11R1.16 CCNC(C)c1ncccn1 112a21bda09e683bb3edc0c3fc56d505 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.16 CCN[C@@H](C)c1ccccc1 994b5b0b50363ecab1efd5b7f9e6d7cd [0,1,0,0,0,0|1,0,0]=2 85 B11R1.16 CCN[C@@H](C)c1ccccn1 6becaa5dd299afbde8d9e40b8df2b64b [0,1,0,0,0,0|2,0,0]=3 86 B11R1.16 CCN[C@@H](C)c1cccnc1 330151f91eef2953e097f24cd8fe5255 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.16 CCN[C@@H](C)c1ccncc1 00312d91ebda62098fbd65a2d65ba17c [0,1,0,0,0,0|2,0,0]=3 88 B11R1.16 CCN[C@@H](C)c1cncnc1 a5c49eac43efe2289be51d06c11c7575 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.16 CCN[C@H](C)c1ccccc1 af432512ad94856da6ef9d44592c3502 [0,1,0,0,0,0|1,0,0]=2 90 B11R1.16 CCN[C@H](C)c1ccccn1 de5b9d337b6c15bb985fd6d76426b016 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.16 CCN[C@H](C)c1cccnc1 7cb1b35ff9549b4a705f07ae86659632 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.16 CCN[C@H](C)c1ccncc1 d9dd8baf03e60276588d8bf323f0d599 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.16 CCN[C@H](C)c1cncnc1 186d78fcf30dda4d736d86a57c2d1693 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.16 CCOC(C)c1ccccc1 37108e833ff536d25c550cb5b37c873d [0,1,0,0,0,0|1,0,0]=2 95 B11R1.16 CCOC(C)c1ccccn1 2349fef21e807c42cd2b612eadfb89fd [0,1,0,0,0,0|2,0,0]=3 96 B11R1.16 CCOC(C)c1cccnc1 9c9e8ee26a948f6734fe8bca4ac259d1 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.16 CCOC(C)c1cccnn1 b45ba464b06ee6bdc1c736a50ffd8553 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.16 CCOC(C)c1ccncc1 e4e418e4b9933d9ffab69561c2ee0b8d [0,1,0,0,0,0|2,0,0]=3 99 B11R1.16 CCOC(C)c1cnccn1 c43729a6fd74b4ab221ba3a8754f47ca [0,1,0,0,0,0|3,0,0]=4 100 B11R1.16 CCOC(C)c1ncccn1 1fedda22cfecf8948662f3eef3f690f9 [0,1,0,0,0,0|3,0,0]=4 101 B11R1.16 CCO[C@@H](C)c1ccccc1 e4f11a13dd3f609e6f25ac3a3b969fe2 [0,1,0,0,0,0|1,0,0]=2 102 B11R1.16 CCO[C@@H](C)c1ccccn1 d31d85c16530817c2b81fb1a03fe7e57 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.16 CCO[C@@H](C)c1cccnc1 4f79e80bc80f924c1d9263e4c7a80e48 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.16 CCO[C@@H](C)c1ccncc1 10c7e45b7f2432aed0d2d85f0e9de43f [0,1,0,0,0,0|2,0,0]=3 105 B11R1.16 CCO[C@@H](C)c1ccncn1 ecda7948a20662ef60b97d1988299e8d [0,1,0,0,0,0|3,0,0]=4 106 B11R1.16 CCO[C@@H](C)c1cnccn1 8a6e3a914bc27167363a585a0aa27251 [0,1,0,0,0,0|3,0,0]=4 107 B11R1.16 CCO[C@@H](C)c1ncccn1 4240750fe2b64fee8772620e302ddfbe [0,1,0,0,0,0|3,0,0]=4 108 B11R1.16 CCO[C@H](C)c1ccccc1 54694971b3853f962e687b61e7c698c1 [0,1,0,0,0,0|1,0,0]=2 109 B11R1.16 CCO[C@H](C)c1ccccn1 c768b24f1cd72ff8137851b753ae2d04 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.16 CCO[C@H](C)c1cccnc1 cd637b20fb4bf525c6de41c7953f4069 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.16 CCO[C@H](C)c1cccnn1 5e113335bfa1da5c764374cee09167f3 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.16 CCO[C@H](C)c1ccncc1 be826d73c7c9b4a2a044295b6bfe0a2c [0,1,0,0,0,0|2,0,0]=3 113 B11R1.16 CCO[C@H](C)c1cnccn1 5d3b5896b879729f1ffbe4449af13432 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.16 CCO[C@H](C)c1ncccn1 f16129f9fc3238ad0c96779a2995a1df [0,1,0,0,0,0|3,0,0]=4 115 B11R1.16 CN(CC#N)c1ccccc1 e4996d8d05652ac5f69757d7a543c8c3 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.16 CN(CC=O)c1ccccc1 669b7315010cb1229c9893a5bac75e38 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.16 CN(CCF)c1ccccc1 10541e2e32dac0db7a85ea44620c0e3e [0,1,0,0,0,0|2,0,0]=3 118 B11R1.16 CN(CCF)c1cccnc1 0c417327f73403e17ed488303ca6b0c4 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.16 CN(CCF)c1ccncc1 bd3fbcee4c8d75fe9f1ec4c8807aa902 [0,1,0,0,0,0|3,0,0]=4 120 B11R1.16 CN(CCO)c1ccccc1 4b734b8d391d02ddf47f0308fb1d22c8 [0,1,0,0,0,0|2,0,0]=3 121 B11R1.16 CN(CCO)c1ccccn1 e37523a54a1bd0bac80e99fe2cbc8f05 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.16 CN(CCO)c1cccnc1 47cb1f96fe61f8c7bd838cc6c9d317ed [0,1,0,0,0,0|3,0,0]=4 123 B11R1.16 CN(CCO)c1ccncc1 3a6a0ee6c83dc5948a0c721338083c57 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.16 CN(CCS)c1ccccn1 de84abbd40dd1eead0c63b1f2ba48791 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.16 CN(CCS)c1cccnc1 5bb9078bc645c6a66ca8b72acfaf15de [0,1,0,0,0,0|3,0,0]=4 126 B11R1.16 CN(CCS)c1ccncc1 6b7a6f86f0d58bddc30bb09414ed45b7 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.16 COCN(C)c1ccccc1 6231e4bc9ebe3bdb02fd15faeb34634f [0,1,0,0,0,0|2,0,0]=3 128 B11R1.16 COCN(C)c1ccccn1 66cbdeedae67899dab62ab4e4b9abfe2 [0,1,0,0,0,0|3,0,0]=4 129 B11R1.16 COCN(C)c1cccnc1 eee1a900430cbd2ead764847823e4249 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.16 COCN(C)c1ccncc1 844858b0bf6accc4b68ce8147d0d88ed [0,1,0,0,0,0|3,0,0]=4 131 B11R1.16 CSCN(C)c1ccccc1 6fe637e44a17092ac12098dbdcb5352f [0,1,0,0,0,0|2,0,0]=3 132 B11R1.16 CSCN(C)c1ccccn1 b50faf9300869282fdd09bc9d262195a [0,1,0,0,0,0|3,0,0]=4 133 B11R1.16 CSCN(C)c1cccnc1 85210a97edc62a2031929b5c7394c57b [0,1,0,0,0,0|3,0,0]=4 134 B11R1.16 CSCN(C)c1ccncc1 4f774618b2036be44522889267e87b2f [0,1,0,0,0,0|3,0,0]=4 135 B11R1.16 C[C@@H](NC=O)c1ccccc1 ed3cbc790dab943801487e30e3a37c11 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.16 C[C@@H](NCF)c1ccccn1 99b97b5aa9cfaef5c750c0b6f424a155 [0,1,0,0,0,0|3,0,0]=4 137 B11R1.16 C[C@@H](NCF)c1cccnc1 661209de32fd81ce54914e1bd942009a [0,1,0,0,0,0|3,0,0]=4 138 B11R1.16 C[C@@H](NCF)c1ccncc1 7c723b81de2f22629dc13a66a3539cc2 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.16 C[C@@H](NCO)c1ccccn1 06a1df171fb3e867c231d94d30fe4c59 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.16 C[C@@H](NCO)c1cccnc1 cf5dbaaa37b8cb4e2f16350a55683027 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.16 C[C@@H](NCO)c1ccncc1 7d10d857a4fd7fe5ca5ccba46504091e [0,1,0,0,0,0|3,0,0]=4 142 B11R1.16 C[C@@H](OCF)c1ccccc1 f6dc1405e5744871891f84657f997fd4 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.16 C[C@@H](OCF)c1ccccn1 452563b793d445f90c7b5445d0861252 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.16 C[C@@H](OCF)c1cccnc1 700f73ac95c9eff915753055610d6829 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.16 C[C@@H](OCF)c1ccncc1 1ab9725f241037c368e977085ea4a520 [0,1,0,0,0,0|3,0,0]=4 146 B11R1.16 C[C@H](NC=O)c1ccccc1 0ca5dec48ba28ecff3cefea41bc874f0 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.16 C[C@H](NCF)c1ccccn1 3f81f6af69df7aaa916f5a60f5ffdf6c [0,1,0,0,0,0|3,0,0]=4 148 B11R1.16 C[C@H](NCF)c1cccnc1 66a2dcad38cbf0d519df63526d229e46 [0,1,0,0,0,0|3,0,0]=4 149 B11R1.16 C[C@H](NCF)c1ccncc1 01b512844ac187d8e5e90b8a3d251ae9 [0,1,0,0,0,0|3,0,0]=4 150 B11R1.16 C[C@H](NCO)c1ccccn1 d98746896574333cf45787ddae8ffaa8 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.16 C[C@H](NCO)c1cccnc1 476af247167559627f6aa699dfa54495 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.16 C[C@H](NCO)c1ccncc1 6f6a1ba3773069295a22e913e615ab17 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.16 C[C@H](OCF)c1ccccc1 0bdd092ad3daed19f52c193b52481cfc [0,1,0,0,0,0|2,0,0]=3 154 B11R1.16 C[C@H](OCF)c1ccccn1 6ecec266ea2cccd56a91b2c7f7312784 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.16 C[C@H](OCF)c1cccnc1 1642ade6f48ada445386d02dbd40b795 [0,1,0,0,0,0|3,0,0]=4 156 B11R1.16 C[C@H](OCF)c1ccncc1 1ba2b2d00b1ff65d044471b9d6a9a89a [0,1,0,0,0,0|3,0,0]=4 157 B11R1.22 CCN(C)c1ccc(cc1)F 37e2d475a9bd3cfcf296a94fc69fd067 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.22 CCN(C)c1ccc(cc1)I 6deef7aec400603f68eb68f0833942ec [0,1,0,0,0,0|2,0,0]=3 159 B11R1.22 CCN(C)c1ccc(cc1)S 429f96f94511567839fe68b5edd62f1c [0,1,0,0,0,0|2,0,0]=3 160 B11R1.22 CCN(C)c1ccc(cn1)C 09e547625bc47d07ffa7b31de636862b [0,1,0,0,0,0|3,0,0]=4 161 B11R1.22 CCN(C)c1ccc(cn1)Cl c558c548bcbb0876eff9f96eddc564c3 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.22 CCN(C)c1ccc(cn1)F 48c4bff180c1cecc4a421b3eb0d4f7ed [0,1,0,0,0,0|3,0,0]=4 163 B11R1.22 CCN(C)c1ccc(cn1)I 5a436a740647170bba1c52d7e65abc74 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.22 CCN(C)c1ccc(nc1)Br b6445fecc0c7fd88b71c31623fcd006b [0,1,0,0,0,0|3,0,0]=4 165 B11R1.22 CCN(C)c1ccc(nc1)Cl 98116e0be953dec717bcac000adb9db0 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.22 CCN(C)c1ccc(nc1)F 5c2f83595d7ddc2f36ec5baf4ef48449 [0,1,0,0,0,0|3,0,0]=4 167 B11R1.22 CN(CF)c1ccc(cc1)Br 6b91b8da88ddbfb295c2dccdb6cb4076 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.22 CN(CF)c1ccc(cc1)Cl 0c4cb302bade12f5a411b01a9042b3ea [0,1,0,0,0,0|3,0,0]=4 169 B11R1.22 CN(CF)c1ccc(cc1)F 7a7162e57e22a4f5e6a55d2c6d204d3d [0,1,0,0,0,0|3,0,0]=4 170 B11R1.22 CN(CF)c1ccc(cc1)I 6d998585b1c8e8e7964bc459bdd74230 [0,1,0,0,0,0|3,0,0]=4 171 B11R1.22 CN(CF)c1ccc(cc1)S 790104648dfcde077abfb3f2fb190f26 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.22 CN(CO)c1ccc(cc1)Br a0ee612d9ade0f057f40eda0edee63d6 [0,1,0,0,0,0|3,0,0]=4 173 B11R1.22 CN(CO)c1ccc(cc1)Cl 2c0dfaf13b4e02b467d222656644d816 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.22 CN(CO)c1ccc(cc1)F c1ecf99a3d9f55a2562607c88c44d1b8 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.22 CN(CO)c1ccc(cc1)I 148086324dd93cd760089e4e94a122ba [0,1,0,0,0,0|3,0,0]=4 176 B11R1.22 CN(CO)c1ccc(cc1)S 7e6f64a1230a5e349b82adbdac7f2cd1 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.22 Cc1ccc(cc1)N(C)CF d9ca75efcf22688224e11802328b1cd1 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.22 Cc1ccc(cc1)N(C)CO 3f90488aa46443ae7ceb46a9828e79d3 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.23 CCN(C)c1cc(ccn1)Br 04e0ce28cf290558a1b5ef23009381b2 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.23 CCN(C)c1cc(ccn1)C a3fb3d506e0aa8bc01390f436b3f57fb [0,1,0,0,0,0|3,0,0]=4 181 B11R1.23 CCN(C)c1cc(ccn1)Cl 3d23dc5ff3e66bd32817f92db7d45321 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.23 CCN(C)c1cc(ccn1)F acdf0fc420fc80413aa8e17060c46482 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.23 CCN(C)c1cc(ccn1)I b295003db51738a864f3881b26ca4115 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.23 CCN(C)c1ccc[n+](c1)[O-] aa3e5a266f6ebeec9cbabc1cd2da24fc [0,1,0,0,0,0|3,0,0]=4 185 B11R1.23 CCN(C)c1cccc(c1)Br b9912e02c1f17bb41ebd144c9e9202ee [0,1,0,0,0,0|2,0,0]=3 186 B11R1.23 CCN(C)c1cccc(c1)F 430101ed975145c517dcbcb463820b73 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.23 CCN(C)c1ccnc(c1)Br 76e6dea3cc6c864be672b3ebb03629f4 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.23 CCN(C)c1ccnc(c1)Cl e1de3c06386e1978d0ddc6f1228b4b70 [0,1,0,0,0,0|3,0,0]=4 189 B11R1.23 CCN(C)c1cncc(c1)Br 4e8a54f314758cec6db1d44208066fb3 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.23 CCN(C)c1cncc(c1)C c586f1c7bab338ac78be772791134673 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.23 CCN(C)c1cncc(c1)F 9ab7e09f4c927efd8d017c75c729608f [0,1,0,0,0,0|3,0,0]=4 192 B11R1.23 CN(CF)c1cccc(c1)Br 7a123ee73cafbdd957621bfb9faccc3f [0,1,0,0,0,0|3,0,0]=4 193 B11R1.23 CN(CF)c1cccc(c1)Cl 3c5b88557b8c81a0b3c7ed9ad71bde08 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.23 CN(CF)c1cccc(c1)F 222030735d42d27fe394bc21ac4ac2c3 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.23 CN(CF)c1cccc(c1)I a4932831bd90a86126da38899926fb81 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.23 CN(CO)c1cccc(c1)Br 338387980ae1b5bd1aeb8f0f3d8c21d1 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.23 CN(CO)c1cccc(c1)Cl cddd29b5bf9afdf9ebf4b5b2535c5ce6 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.23 CN(CO)c1cccc(c1)F 0413508efd514c5105c44e46cec3cac8 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.23 CN(CO)c1cccc(c1)I 1efe9cbcfb545c4004f668bff7e82fc4 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.222 CCN(C)c1c[nH]ccc1=O 6abf9d241073cc2f75f27abcbd05cc80 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.222 CCN(C)c1c[nH]ccc1=S 3b8bfde396fba92e7eb31b571ef2cfc9 [0,1,0,0,0,0|3,0,0]=4 202 B11R1.222 CCN(C)c1ccccc1C 9f04b12bb5b89a6592eb728905a01c8b [0,1,0,0,0,0|2,0,0]=3 203 B11R1.222 CCN(C)c1ccccc1F f232548c9b2f85032dbceb393dfbf769 [0,1,0,0,0,0|2,0,0]=3 204 B11R1.222 CCN(C)c1cccnc1Br 2a9bac7653109ad7cb22a369e9423ffb [0,1,0,0,0,0|3,0,0]=4 205 B11R1.222 CCN(C)c1cccnc1C 0ddb97fac4b005bf5151e63b04814336 [0,1,0,0,0,0|3,0,0]=4 206 B11R1.222 CCN(C)c1cccnc1Cl 583cec184083a5a308a72f647a6e90c8 [0,1,0,0,0,0|3,0,0]=4 207 B11R1.222 CCN(C)c1cccnc1F 60886e25b7b16c0395a71018cc5328fb [0,1,0,0,0,0|3,0,0]=4 208 B11R1.222 CCN(C)c1ccncc1Br ccb3e872aa001b849f57f7f1c95acc2c [0,1,0,0,0,0|3,0,0]=4 209 B11R1.222 CCN(C)c1ccncc1Cl 77b156bc59a171c6b8d2f72d43f0a7f0 [0,1,0,0,0,0|3,0,0]=4 210 B11R1.222 CCN(C)c1ccncc1F e76df267d7ee7f820b7c04ff35842c24 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.222 CCN(C)c1ccncc1I 6cb3319af68be9f3f92d0a5d3981f1a8 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.222 CCN(C)c1cnccc1C 15650ab426688eaaa83948de77c329f3 [0,1,0,0,0,0|3,0,0]=4 213 B11R1.222 CCN(C)c1cnccc1Cl 7d79648c65c6505b388546f3ddc49f07 [0,1,0,0,0,0|3,0,0]=4 214 B11R1.222 CCN(C)c1cnccc1F fe6028fb3ed3222dd3d425a51ab84bcb [0,1,0,0,0,0|3,0,0]=4 215 B11R1.222 CCN(C)c1ncccc1C 1e30fac82468209390e0b5f96fc3f6e5 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.222 CCN(C)c1ncccc1Cl 83cf3b72625659b2ba48d78213030296 [0,1,0,0,0,0|3,0,0]=4 217 B11R1.222 CCN(C)c1ncccc1F 00a0e1fae815648efad6bba19128001c [0,1,0,0,0,0|3,0,0]=4 218 B11R1.222 CCN(C)c1ncccc1I adae5b28a255cf01c9ab2ebaac117c29 [0,1,0,0,0,0|3,0,0]=4 219 B11R1.222 CN(CF)c1ccccc1F 664f2d950c125d3a1fa31610e43e1d60 [0,1,0,0,0,0|3,0,0]=4 220 B11R1.222 CN(CO)c1ccccc1Cl 93c8a0a05d68ffe0b62289d5206a4d45 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.222 CN(CO)c1ccccc1F 37525b3659f76f6cb84994c550b2f6ca [0,1,0,0,0,0|3,0,0]=4 222 B11R1.222 Cc1ccccc1N(C)CF 151ec0fcc79157784dd7bc5d5aa488f4 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.222 Cc1ccccc1N(C)CO 360a66e6984b8285375a37f5a2a3ef94 [0,1,0,0,0,0|3,0,0]=4 224 B9R0.8 C=C/C=C/C(=O)N(C)CC ec3e555b40e82de44f5e5a3d078284ef [0,0,1,0,0,0|3,0,0]=4 225 B9R0.8 C=C/C=C\C(=O)N(C)CC 851984728626a978c34b494a58a8a489 [0,0,1,0,0,0|3,0,0]=4 226 B9R0.8 C=CC=CC(=O)N(C)CC f787229ea7ff1771d61092ded6fc9777 [0,0,1,0,0,0|3,0,0]=4 227 B9R1.11 CCN(C)c1ccsc1 9d7f231018bb5b4ffa353066f71ec39b [0,0,0,0,1,0|3,0,0]=4 228 B11R1.40 C=CC(C)Nc1ccccc1 11c4f91eafeb8b3d7c22c97a0ea92d57 [0,0,0,0,0,1|1,0,2]=4 229 B11R1.40 CC(C=O)Nc1ccccc1 0d04ec44ee6fe8b8d4f3d71cd15333ba [0,0,0,0,0,1|2,0,1]=4 230 B11R1.40 CC(CO)Nc1ccccc1 28944821b2a2502f940043c73e5bee97 [0,0,0,0,0,1|2,0,0]=3 231 B11R1.40 CC(CO)Nc1ccccn1 2e21620844440b7bb083395c24fa5d12 [0,0,0,0,0,1|3,0,0]=4 232 B11R1.40 CC(CO)Nc1cccnc1 1993973453fc1c9eb0295a2e45197541 [0,0,0,0,0,1|3,0,0]=4 233 B11R1.40 CC(CO)Nc1ccncc1 014df859a1aaecd67e68db71b7c7ef69 [0,0,0,0,0,1|3,0,0]=4 234 B11R1.40 CCC(=O)Nc1ccccn1 5f642c62afae0a49ab875733e55fde1b [0,0,0,0,0,1|1,0,2]=4 235 B11R1.40 CCC(=O)Nc1cccnc1 3f3732eaee579e7903ad30638bf6459b [0,0,0,0,0,1|1,0,2]=4 236 B11R1.40 CCC(C)Nc1ccccc1 0d73dedeab1dd8f5149c3124f0b802dc [0,0,0,0,0,1|1,0,0]=2 237 B11R1.40 CCC(C)Nc1ccccn1 bb895d27f1d9ed94ab4cd5f93b01f0bd [0,0,0,0,0,1|2,0,0]=3 238 B11R1.40 CCC(C)Nc1cccnc1 a0e745f4d44915557790daf72381f523 [0,0,0,0,0,1|2,0,0]=3 239 B11R1.40 CCC(C)Nc1cccnn1 ff06696cf74f270fdba143978c62ac27 [0,0,0,0,0,1|3,0,0]=4 240 B11R1.40 CCC(C)Nc1ccncc1 8150e11adca204128a3ae62428597250 [0,0,0,0,0,1|2,0,0]=3 241 B11R1.40 CCC(C)Nc1ccncn1 cdc50b843b9c714cbb9488ee87e2e9f4 [0,0,0,0,0,1|3,0,0]=4 242 B11R1.40 CCC(C)Nc1ccnnc1 b2cd78b0e4e493fc8fc7fd660daa28ea [0,0,0,0,0,1|3,0,0]=4 243 B11R1.40 CCC(C)Nc1cnccn1 218f39b97d2fc8b56d7c106256492dff [0,0,0,0,0,1|3,0,0]=4 244 B11R1.40 CCC(C)Nc1cncnc1 c613a4573f5f5c49698cbf707a287ecf [0,0,0,0,0,1|3,0,0]=4 245 B11R1.40 CCC(C)Nc1ncccn1 11b2ce1094fd36a470194aa0ea19a19c [0,0,0,0,0,1|3,0,0]=4 246 B11R1.40 CCC(C)Oc1ccccn1 b8b4a806c6af90298cf0d1454fda0647 [0,0,0,0,0,1|2,0,0]=3 247 B11R1.40 CCC(C)Oc1cccnc1 ea8ea3a935f9f1da0dc64162c872e010 [0,0,0,0,0,1|2,0,0]=3 248 B11R1.40 CCC(C)Oc1ccncc1 0e7c13edf9ed6b6addf466a3a8481e15 [0,0,0,0,0,1|2,0,0]=3 249 B11R1.40 CCC(C)Oc1ccnnc1 2c1374a060c2205ba338192573bcdf4f [0,0,0,0,0,1|3,0,0]=4 250 B11R1.40 CCC(C)Oc1cnccn1 259d43a94fcc1396cf4ed5279619bad5 [0,0,0,0,0,1|3,0,0]=4 251 B11R1.40 CCC(C)Oc1cncnc1 1927eda9da52994d7329db955284990c [0,0,0,0,0,1|3,0,0]=4 252 B11R1.40 CCC(C)Oc1ncccn1 2c3f480730b3d8e77d38029021131efd [0,0,0,0,0,1|3,0,0]=4 253 B11R1.40 CCN(C)Cc1ccccc1 c214a7b7c23665abe56278baaf98348b [0,0,0,0,0,1|2,0,0]=3 254 B11R1.40 CCN(C)Cc1ccccn1 e347cf6623c9ce49a1c94570b5d3844c [0,0,0,0,0,1|3,0,0]=4 255 B11R1.40 CCN(C)Cc1cccnc1 69e9bc72fe902e2c097b1bc797c43254 [0,0,0,0,0,1|3,0,0]=4 256 B11R1.40 CCN(C)Cc1ccncc1 ebfb44d53a95f23536771c3c1b41adfd [0,0,0,0,0,1|3,0,0]=4 257 B11R1.40 CC[C@@H](C)Nc1ccccc1 405a065880ecff40d5c3aba49f23a60f [0,0,0,0,0,1|1,0,0]=2 258 B11R1.40 CC[C@@H](C)Nc1cccnc1 d5c354fec9aa4824593a6aa370b31f97 [0,0,0,0,0,1|2,0,0]=3 259 B11R1.40 CC[C@H](C)Nc1ccccc1 bdf0fca4eb541010d4b75cf2b0618571 [0,0,0,0,0,1|1,0,0]=2 260 B11R1.40 CC[C@H](C)Nc1cccnc1 a188aeb369243191dc243d4fb98ce075 [0,0,0,0,0,1|2,0,0]=3 261 B11R1.40 CN(CF)Cc1ccccc1 5e57d186c6f316353ffa6c809cb61d75 [0,0,0,0,0,1|3,0,0]=4 262 B11R1.40 CN(CO)Cc1ccccc1 c1d08d2d2c7de731954ebcb428d333e2 [0,0,0,0,0,1|3,0,0]=4 263 B11R1.40 C[C@@H](CO)Nc1ccccc1 d1a979ebd31c8c47073ae387eaa9c5f8 [0,0,0,0,0,1|2,0,0]=3 264 B11R1.40 C[C@@H](CO)Nc1ccccn1 9ac7427612f5553e5180ee81712e35fd [0,0,0,0,0,1|3,0,0]=4 265 B11R1.40 C[C@@H](CO)Nc1cccnc1 b4b83540aa924934ce25b37024c4f475 [0,0,0,0,0,1|3,0,0]=4 266 B11R1.40 C[C@@H](CO)Nc1ccncc1 495de922b28b07b689b24b08a715b1b6 [0,0,0,0,0,1|3,0,0]=4 267 B11R1.40 C[C@H](C=O)Nc1ccccc1 10a4433daba67da13987d6e7cd5b7f0f [0,0,0,0,0,1|2,0,1]=4 268 B11R1.40 C[C@H](CO)Nc1ccccc1 b7592eed2c2b10dda06f47547223c567 [0,0,0,0,0,1|2,0,0]=3 269 B11R1.40 C[C@H](CO)Nc1ccccn1 01d2d5e2403842048f8ac810f41680f1 [0,0,0,0,0,1|3,0,0]=4 270 B11R1.40 C[C@H](CO)Nc1cccnc1 0388d126da012bf4a1e005fb7424e864 [0,0,0,0,0,1|3,0,0]=4 271 B11R1.40 C[C@H](CO)Nc1ccncc1 12aec410035ef0ee1b8933a8e56e1a8b [0,0,0,0,0,1|3,0,0]=4 272 B10R0.18 C=C/C=C/C(=O)NC(C)CC f7929a6f188b8b0b87e78ad5b9b6db05 [0,1,1,0,0,0|2,0,0]=4 273 B10R0.18 C=C/C=C/C(=O)N[C@@H](C)CC 677627fd6e113406be86334259255312 [0,1,1,0,0,0|2,0,0]=4 274 B10R0.18 C=C/C=C/C(=O)N[C@H](C)CC fd7352e1618c6c30c92fb832128b37f8 [0,1,1,0,0,0|2,0,0]=4 275 B10R0.18 C=C/C=C\C(=O)NC(C)CC abb6e6ba56b03eccd78540b41633f63a [0,1,1,0,0,0|2,0,0]=4 276 B10R0.18 C=C/C=C\C(=O)N[C@@H](C)CC fe07a6299cdd4599d8010c083c580eec [0,1,1,0,0,0|2,0,0]=4 277 B10R0.18 C=C/C=C\C(=O)N[C@H](C)CC 54afe1e4d1a7dc74f6ca4a5c5ec6fc32 [0,1,1,0,0,0|2,0,0]=4 278 B10R0.18 C=CC=CC(=O)NC(C)CC eaa6f791176d36dce23515637c416706 [0,1,1,0,0,0|2,0,0]=4 279 B10R0.18 C=CC=CC(=O)N[C@@H](C)CC 52594acbdd583ca757ce6c003e947412 [0,1,1,0,0,0|2,0,0]=4 280 B10R0.18 C=CC=CC(=O)N[C@H](C)CC 9bbe7467ddaebdcd48b827ccba4ff8e6 [0,1,1,0,0,0|2,0,0]=4 281 B10R1.1 CCNc1ccc(=O)[nH]c1 cda5f6466914b9089a8f399c4d41b9f1 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.1 CCNc1ccc(cc1)Br e7368b650d842df07f1a9668bf0b4031 [1,1,0,0,0,0|1,0,0]=3 283 B10R1.1 CCNc1ccc(cc1)C 5bd280a2c0e051bd626f67ade06cc665 [1,1,0,0,0,0|1,0,0]=3 284 B10R1.1 CCNc1ccc(cc1)Cl 78a77ff2de1029463881d0096e3c40b4 [1,1,0,0,0,0|1,0,0]=3 285 B10R1.1 CCNc1ccc(cc1)F 7245e23faec7214139cc638d5d7041df [1,1,0,0,0,0|1,0,0]=3 286 B10R1.1 CCNc1ccc(cc1)I 08dbf719260fe2b9101a362dcb5b3f5c [1,1,0,0,0,0|1,0,0]=3 287 B10R1.1 CCNc1ccc(cc1)S d391e984cf82ddd3585ab73e3af8af78 [1,1,0,0,0,0|1,0,0]=3 288 B10R1.1 CCNc1ccc(cn1)Br 639f883e838120d440c275f266387630 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.1 CCNc1ccc(cn1)C fb256d19526c3e4e7db09097bf1226ae [1,1,0,0,0,0|2,0,0]=4 290 B10R1.1 CCNc1ccc(cn1)Cl 86942235d68fec688c4d98a640636bda [1,1,0,0,0,0|2,0,0]=4 291 B10R1.1 CCNc1ccc(cn1)F bc6bc6f1cc565acba301cdb52762e02f [1,1,0,0,0,0|2,0,0]=4 292 B10R1.1 CCNc1ccc(cn1)I 52b76d004d4ec36a1450a88eb15ee235 [1,1,0,0,0,0|2,0,0]=4 293 B10R1.1 CCNc1ccc(nc1)Br 59c1c575d4cf738922707e4ac33945e2 [1,1,0,0,0,0|2,0,0]=4 294 B10R1.1 CCNc1ccc(nc1)C c6a305032b477973c3c3fbf0a9e4e681 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.1 CCNc1ccc(nc1)Cl a3742bd50e5ddc0bb8d9bcc0351dba6f [1,1,0,0,0,0|2,0,0]=4 296 B10R1.1 CCNc1ccc(nc1)F 1c8d0a2e7c3ebc9b796eced21d4d67da [1,1,0,0,0,0|2,0,0]=4 297 B10R1.1 CCNc1ccc(nc1)I b055045d2de39aafb4b6d6710f7ae0e8 [1,1,0,0,0,0|2,0,0]=4 298 B10R1.1 CCOc1ccc(cc1)Br 0e76a95a836dd2981a43d0b194227fd8 [1,1,0,0,0,0|1,0,0]=3 299 B10R1.1 CCOc1ccc(cc1)C 26efd14f9e8649940b64cdf1b3738f1b [1,1,0,0,0,0|1,0,0]=3 300 B10R1.1 CCOc1ccc(cc1)Cl 945eb2c259d4cb8905c1789c25d510a9 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.1 CCOc1ccc(cc1)F 5faab7d15ff0cf2f779560e4d5e7448c [1,1,0,0,0,0|1,0,0]=3 302 B10R1.1 CCOc1ccc(cc1)I 53aa34317b2540d22d9ec7de628cac3d [1,1,0,0,0,0|1,0,0]=3 303 B10R1.1 CCOc1ccc(cc1)S 99269a211e814d9abbdc09864e525389 [1,1,0,0,0,0|1,0,0]=3 304 B10R1.1 CCOc1ccc(cn1)C f777259bf4373954cda4bbb8405a47a2 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.1 CCOc1ccc(cn1)Cl cd4f070a79f4939e7eca32fa7a8d0e7f [1,1,0,0,0,0|2,0,0]=4 306 B10R1.1 CCOc1ccc(cn1)F b50f8cb60dc9806fa9d9175eac7405e9 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.1 CCOc1ccc(cn1)I 134eef0ef437844eb5a79430a3f4f022 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.1 CCOc1ccc(nc1)Br bac9395e09cd94d673b47afe64f445de [1,1,0,0,0,0|2,0,0]=4 309 B10R1.1 CCOc1ccc(nc1)C a681f7f0cc1b45047bb455631f3beced [1,1,0,0,0,0|2,0,0]=4 310 B10R1.1 CCOc1ccc(nc1)Cl 1b78e4b95bbcd168fec166181ff52b61 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.1 CCOc1ccc(nc1)F a0e05acc1f44f1bf919de4da94e9dd90 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.1 CCOc1ccc(nc1)I 131dd3afd2712c4ddfbf28645dd95597 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.1 Cc1ccc(cc1)NCF bc1e070a03926f4bf6c7312d5f79c7d7 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.1 Cc1ccc(cc1)NCO 626a801ae48c57fa3fcbb53e76d595f1 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.1 Cc1ccc(cc1)OCF 1ff33ac4ceb2cbf44a59770aa34ca71f [1,1,0,0,0,0|2,0,0]=4 316 B10R1.1 FCNc1ccc(cc1)Br 9a61248e2cb3b89f6eda1c85794bcc18 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.1 FCNc1ccc(cc1)Cl 758cd93e824e8d8fe0f2c7b44d621ed4 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.1 FCNc1ccc(cc1)F 371043c79a08be334292394da386365b [1,1,0,0,0,0|2,0,0]=4 319 B10R1.1 FCNc1ccc(cc1)I c777c25d05ef7069ce73e36f40a5c833 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.1 FCNc1ccc(cc1)S 4e916ab7b0222d51e372a5dff4038b6f [1,1,0,0,0,0|2,0,0]=4 321 B10R1.1 FCOc1ccc(cc1)Br bc13401ff1b5b76f437683a94bdf2ed8 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.1 FCOc1ccc(cc1)Cl 4e8cdf8131543ffc8a8f19ac10dd354e [1,1,0,0,0,0|2,0,0]=4 323 B10R1.1 FCOc1ccc(cc1)F d9961c874524e60966f13168de74d68e [1,1,0,0,0,0|2,0,0]=4 324 B10R1.1 FCOc1ccc(cc1)I 31e9a7d342257542e659914127a8d1e9 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.1 FCOc1ccc(cc1)S 3c6768610977ef2105a56aef384b857c [1,1,0,0,0,0|2,0,0]=4 326 B10R1.1 OCNc1ccc(cc1)Br 8a6f77c6bbe9ea4e056c3d8d66d7853d [1,1,0,0,0,0|2,0,0]=4 327 B10R1.1 OCNc1ccc(cc1)Cl 86437eba67664b7a79a0b9f1be727594 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.1 OCNc1ccc(cc1)F 713130e1345d066522caa5c40a69b374 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.1 OCNc1ccc(cc1)I b3ec7df4f137e654c56c2616ca2d7a8a [1,1,0,0,0,0|2,0,0]=4 330 B10R1.1 OCNc1ccc(cc1)S a2d81e6a6f1ccdc29f69d5fbee093f77 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.4 CCNc1ccc[nH]c1=S 67a5b3b55c36deab6cc15e67fc040e75 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.4 CCNc1cccc[n+]1[O-] 02091f95b7d222da69935edad316aa89 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.4 CCNc1ccccc1Cl 2dfb513d252d373232906f5030075d40 [1,1,0,0,0,0|1,0,0]=3 334 B10R1.4 CCNc1ccccc1F 7ab2c72548cf5934972f59a05bcf3b98 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.4 CCNc1ccccc1I a15e1e777d9cb3c3c67c713eae1f152f [1,1,0,0,0,0|1,0,0]=3 336 B10R1.4 CCNc1cccnc1Br a2373bd4dbeea9e96613175b1fa389be [1,1,0,0,0,0|2,0,0]=4 337 B10R1.4 CCNc1cccnc1C aa29ce1aae1cb0173cce32ed6de53439 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.4 CCNc1cccnc1Cl cabaa73226660203e29d27ac34157732 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.4 CCNc1cccnc1F 1c26bd9832ea7353d5986c5b2a82ebeb [1,1,0,0,0,0|2,0,0]=4 340 B10R1.4 CCNc1cccnc1I aa60c46f7fe874be857c1ace71f86b31 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.4 CCNc1ccncc1Br ffd2eb38e4cf903045585acdfa177024 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.4 CCNc1ccncc1C a4036471d4d817efbd65f0f570537bae [1,1,0,0,0,0|2,0,0]=4 343 B10R1.4 CCNc1ccncc1Cl cc17327e7d09812cb4857d56245710a7 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.4 CCNc1ccncc1F 2cf4abf23adb3e08a46ff5f679cb5913 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.4 CCNc1ccncc1I 079ccaf1613a9f898aa33de4b63592f7 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.4 CCNc1cnccc1Br 16ccd75ae6484f9482a40238b5f84138 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.4 CCNc1cnccc1C 4e74c1f11dcd52a7c20dfdd6b5662790 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.4 CCNc1cnccc1Cl fce9e815cea92983ee0d8ac5fb395bc8 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.4 CCNc1cnccc1F efcbd8573a43bcdf8091057e7ebdf59e [1,1,0,0,0,0|2,0,0]=4 350 B10R1.4 CCNc1cnccc1I 11de2c92a556b377d01b5ed33d779892 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.4 CCNc1cnccc1S b06232fe6249f36d78efb086b14dd641 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.4 CCNc1ncccc1Br c725f87792bbf69d61dad0e1008718dc [1,1,0,0,0,0|2,0,0]=4 353 B10R1.4 CCNc1ncccc1C a7fd36b27f175706adc74e2aac7526d2 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.4 CCNc1ncccc1Cl 38db51258030951890daf204f7ed0b90 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.4 CCNc1ncccc1F 708bbe73960ac127c7a4adb5124c7937 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.4 CCNc1ncccc1I 816a15b4e18519781f24dc419625ba99 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.4 CCOc1ccc[nH]c1=S 8c21bc69d2dc6be5a606751c990f45b9 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.4 CCOc1cccc[n+]1[O-] 5e2e6a3eb33be14884bc8c1831a174ad [1,1,0,0,0,0|2,0,0]=4 359 B10R1.4 CCOc1ccccc1C dc9ee1b6b8a241cf6f51757c9fedb385 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.4 CCOc1ccccc1Cl 9b9ed61fe6629f2df6b1eaddc9ec2e8a [1,1,0,0,0,0|1,0,0]=3 361 B10R1.4 CCOc1ccccc1F 41f85306b1c4b7c4daecba5a00d66cce [1,1,0,0,0,0|1,0,0]=3 362 B10R1.4 CCOc1ccccc1I 3bfd90529c85539df6076f624de1f80d [1,1,0,0,0,0|1,0,0]=3 363 B10R1.4 CCOc1cccnc1Br 08b45b24e31de1110a9d86520664a434 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.4 CCOc1cccnc1C 0260c4935677d055d800178e37d974b6 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.4 CCOc1cccnc1Cl 684709ad9eeb4a1f4f9e4a19760d89be [1,1,0,0,0,0|2,0,0]=4 366 B10R1.4 CCOc1cccnc1F eb46cca158e1b62d818714a01a5af0f3 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.4 CCOc1cccnc1I 792b0a09e935918385422ce79b947b91 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.4 CCOc1cccoc1=O 7ff4b51ee01af505d2964258091f5c59 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.4 CCOc1ccncc1Br 55a5d7eb5c6e1589c96bf824d7208a22 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.4 CCOc1ccncc1C 20c8f7e703c3d3baef36021d316a4da0 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.4 CCOc1ccncc1Cl 5e0f3ecd2dfdb5f220c2bf78ed519c55 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.4 CCOc1ccncc1F eea1222228b0061fe90624479072235a [1,1,0,0,0,0|2,0,0]=4 373 B10R1.4 CCOc1cnccc1Br cc65e9d894dca176f1e04b368966ac9b [1,1,0,0,0,0|2,0,0]=4 374 B10R1.4 CCOc1cnccc1C 50b788e4b20e4d60835564cb398dcb8c [1,1,0,0,0,0|2,0,0]=4 375 B10R1.4 CCOc1cnccc1Cl 9252fbdc2aaa496a5df46d8e859e8bec [1,1,0,0,0,0|2,0,0]=4 376 B10R1.4 CCOc1cnccc1F 48497666769166ce90aacce840caeccc [1,1,0,0,0,0|2,0,0]=4 377 B10R1.4 CCOc1cnccc1I b3ec03f0e98ec8d0e34044a0a69fa976 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.4 CCOc1coccc1=O f03228b8de8c0c009e2b1ec644801385 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.4 CCOc1ncccc1Br f4383148a14f49cafea4eeb34cba2f7d [1,1,0,0,0,0|2,0,0]=4 380 B10R1.4 CCOc1ncccc1C e8543da7a575b70db65e7933cc01e850 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.4 CCOc1ncccc1Cl 4590ed1a2376b9070dd9165912ca6275 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.4 CCOc1ncccc1F a8635691cfd51eb96b174213d32b56ee [1,1,0,0,0,0|2,0,0]=4 383 B10R1.4 CCOn1ccccc1=N 066e010845a5f633ef5690a0c60b3ada [1,1,0,0,0,0|2,0,0]=4 384 B10R1.4 CCOn1ccccc1=O 0b23c2e0447fcd6e93837fb5b83fe2d6 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.4 CCOn1ccccc1=S 3f6c47def882e136a1b020f7dbe062b5 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.4 Cc1ccccc1OCF 8baad2379a58970c56de2a8d01203209 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.4 FCNc1ccccc1Cl d9b123aca09542405b035cbfc7a3c90b [1,1,0,0,0,0|2,0,0]=4 388 B10R1.4 FCNc1ccccc1F 0a7d0fadca34184ec755df42efe17064 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.4 FCNc1ccccc1I 5959339ca8fbd24d83e04ddfbe0e0157 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.4 FCNc1ccccc1S d634255285ab47bb94c2bca0b3757d2a [1,1,0,0,0,0|2,0,0]=4 391 B10R1.4 FCOc1ccccc1Cl a5299ee9d2e64e316b2aa5d3a27153e6 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.4 FCOc1ccccc1F 5806cc0111f0c8f01c1e2cf9018d81c2 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.4 FCOc1ccccc1I decd9faac1634980fd9c104b6a434168 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.4 OCNc1ccccc1I 10ade089d4f881d90e5208c43f98902f [1,1,0,0,0,0|2,0,0]=4 395 B10R1.10 CCNc1cc(ccn1)Br d059085370442a13584ded71a5ddc9b8 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.10 CCNc1cc(ccn1)C ead6e66bc426bd20a03df23491bb9b54 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.10 CCNc1cc(ccn1)Cl b2a45afedb1a2c06b6d2ed398b1b9fd7 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.10 CCNc1cc(ccn1)F fbdfc8a9a414de8ffb419ecbd943de26 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.10 CCNc1cc(ccn1)I d53a5d370716816198e976ed0d538017 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.10 CCNc1cc[nH]c(=S)c1 18279867df6bd2717d53a0a712c5f251 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.10 CCNc1cccc(c1)Br 3559ffa0b462d1bd714cf3ca993ed95e [1,1,0,0,0,0|1,0,0]=3 402 B10R1.10 CCNc1cccc(c1)C 7e90094bdff0d2ffec0927834a6a088a [1,1,0,0,0,0|1,0,0]=3 403 B10R1.10 CCNc1cccc(c1)Cl e86c6a0dbdc5ec7691435dfb2bf0caac [1,1,0,0,0,0|1,0,0]=3 404 B10R1.10 CCNc1cccc(c1)F fb10d26ad355d9adf069631a680226b5 [1,1,0,0,0,0|1,0,0]=3 405 B10R1.10 CCNc1cccc(c1)I 9531fa5d8f78367f3126484c4e782fa9 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.10 CCNc1cccc(c1)S a44d310b6eb926e6cc396b05b3cff23a [1,1,0,0,0,0|1,0,0]=3 407 B10R1.10 CCNc1cccc(n1)Br bdf3c98d55e3185cc2a435a8a4fbf30b [1,1,0,0,0,0|2,0,0]=4 408 B10R1.10 CCNc1cccc(n1)C a6d43cd595c5eb0b178fe2416f91b131 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.10 CCNc1cccc(n1)Cl 5a7a857b9ff459dab8398e6aa9d75650 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.10 CCNc1cccc(n1)F 5b24b54d716d9dced5c7bc536933db9c [1,1,0,0,0,0|2,0,0]=4 411 B10R1.10 CCNc1cccc(n1)I 5bd2f7aa302878c630f540d50c1902a7 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.10 CCNc1ccnc(c1)Br b0de2c7dd0b2afc8e0058a60dc5eeb05 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.10 CCNc1ccnc(c1)C 58ebbaae6a202dff8555d7dd291a0bc7 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.10 CCNc1ccnc(c1)Cl 5dd6887f0e4e47b60cccdce22d76d27c [1,1,0,0,0,0|2,0,0]=4 415 B10R1.10 CCNc1ccnc(c1)F 456c27c0065facf0db581015b185dd5e [1,1,0,0,0,0|2,0,0]=4 416 B10R1.10 CCNc1ccnc(c1)I 9f90991b3c2f748f9a394e0717385ee7 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.10 CCNc1cncc(c1)Br 32c3d20c2a967ffd8b369baff96df78b [1,1,0,0,0,0|2,0,0]=4 418 B10R1.10 CCNc1cncc(c1)C 3532d78dae514f8ef5b485b2e6860ebe [1,1,0,0,0,0|2,0,0]=4 419 B10R1.10 CCNc1cncc(c1)Cl 291ad30b57031986784f4e159245ef5b [1,1,0,0,0,0|2,0,0]=4 420 B10R1.10 CCNc1cncc(c1)F eb3b221df4c2b29925e5d3320a410797 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.10 CCNc1cncc(c1)I e218a1afe6a6aca6d71c039b21806c27 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.10 CCOc1cc(ccn1)Br 47baa3e649bbd6c09eab191c6164e915 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.10 CCOc1cc(ccn1)C 2da9c0524b55cd9ee02f9192b348218b [1,1,0,0,0,0|2,0,0]=4 424 B10R1.10 CCOc1cc(ccn1)Cl f1569f953b6ce89dfd8a230ba1b746f0 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.10 CCOc1cc(ccn1)F b1acf79f5addc912dd21fb19cb9afccc [1,1,0,0,0,0|2,0,0]=4 426 B10R1.10 CCOc1ccc[n+](c1)[O-] fe135ea11184d89f3d575034577b6c53 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.10 CCOc1cccc(=O)[nH]1 c94839f401af37d9f4dfdf393db93386 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.10 CCOc1cccc(c1)Br 59b0f5cf1b6eeed19f09ca4b10ff10f6 [1,1,0,0,0,0|1,0,0]=3 429 B10R1.10 CCOc1cccc(c1)C c484b8098bb494764323b4d807c3d871 [1,1,0,0,0,0|1,0,0]=3 430 B10R1.10 CCOc1cccc(c1)Cl 0302a2b3778df08595f07cb1f730b10b [1,1,0,0,0,0|1,0,0]=3 431 B10R1.10 CCOc1cccc(c1)F e3c752114bd9c3d3cb33513b156f9036 [1,1,0,0,0,0|1,0,0]=3 432 B10R1.10 CCOc1cccc(c1)I 0d8a8a4223f2d3d3697a5720204df0bd [1,1,0,0,0,0|1,0,0]=3 433 B10R1.10 CCOc1cccc(c1)S 0a6998f5983825c4343bcc0ed4a9090c [1,1,0,0,0,0|1,0,0]=3 434 B10R1.10 CCOc1cccc(n1)Br 7baff524721e41ab6ff879a1139b25ea [1,1,0,0,0,0|2,0,0]=4 435 B10R1.10 CCOc1cccc(n1)C 8886c898bef83c4de5a441ddd5f1e8cd [1,1,0,0,0,0|2,0,0]=4 436 B10R1.10 CCOc1cccc(n1)F d128ec09e8d7b22b6dee7bd24841de35 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.10 CCOc1ccnc(c1)Br f5f413b01305a0260bc310cf9726afec [1,1,0,0,0,0|2,0,0]=4 438 B10R1.10 CCOc1ccnc(c1)C 4df81811aab21f04d442f5835764e2f5 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.10 CCOc1ccnc(c1)Cl 18f5c214b51f15f58d3b02a0d1cd8938 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.10 CCOc1ccnc(c1)F f1a83957d98d4974100f6d16082a66d4 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.10 CCOc1cncc(c1)C 9fa5233d4ea9ce3b8225bbc243f1f651 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.10 CCOc1cncc(c1)Cl a02433d9cea7b28adfbfbce32981ccfd [1,1,0,0,0,0|2,0,0]=4 443 B10R1.10 CCOc1cncc(c1)F 31714c319aae0ab59ee10e9b01cc1a2a [1,1,0,0,0,0|2,0,0]=4 444 B10R1.10 CCOc1cncc(c1)I 50cf1cd1a59fe9ac9a9438b380797254 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.10 Cc1cccc(c1)NCF f51cf3458817b85dd255a9237b903e6d [1,1,0,0,0,0|2,0,0]=4 446 B10R1.10 Cc1cccc(c1)NCO eb61e002278030a37368dc2bd095ceec [1,1,0,0,0,0|2,0,0]=4 447 B10R1.10 Cc1cccc(c1)OCF 44a22e926d5d6090dde9bff2fda50b6b [1,1,0,0,0,0|2,0,0]=4 448 B10R1.10 FCNc1cccc(c1)Br c9704cbdbb1fdbdf56d8ebff639cbd91 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.10 FCNc1cccc(c1)Cl b872f9905f1be884c21a425e188a3799 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.10 FCNc1cccc(c1)F 7d4f26ca413cdb267cd9918eadc7e27c [1,1,0,0,0,0|2,0,0]=4 451 B10R1.10 FCNc1cccc(c1)I e0561328f6c898e6107a8b27b3024339 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.10 FCNc1cccc(c1)S 086bce0acd48689019a74b3e6fa25e44 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.10 FCOc1cccc(c1)Br 80d2510913f89b70a700b0a85c7b5f8c [1,1,0,0,0,0|2,0,0]=4 454 B10R1.10 FCOc1cccc(c1)Cl 923cd2deba2a91f957f577166c83db17 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.10 FCOc1cccc(c1)F 32af0f234c8dc4ce890ff812ba75b297 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.10 FCOc1cccc(c1)I 162f72df4c690124de0a310faac4bb60 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.10 FCOc1cccc(c1)S 89704a073d3d1c53c665a8dc23513f21 [1,1,0,0,0,0|2,0,0]=4 458 B10R1.10 OCNc1cccc(c1)Br 87332989ccf0a06305ed11c761d0693f [1,1,0,0,0,0|2,0,0]=4 459 B10R1.10 OCNc1cccc(c1)Cl 68445f3d0584c980a0fba61df5ca8efe [1,1,0,0,0,0|2,0,0]=4 460 B10R1.10 OCNc1cccc(c1)F 24a19ac850850294d97609fe4487e656 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.10 OCNc1cccc(c1)I ac2d74171e11e079d9ebd4692866b125 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.10 OCNc1cccc(c1)S 0a81563d3a78719492df94f2bfff9ef9 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.17 BrCCNc1ccccc1 08c39138e90dcc3ad4c25fdba0569b67 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.17 BrCCNc1ccccn1 3e3884def368abe14a8394ce1a1093e4 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.17 BrCCNc1cccnc1 2d13be8c88ebb7269676c6abc03a383d [1,1,0,0,0,0|2,0,0]=4 466 B10R1.17 BrCCNc1ccncc1 aa3f433af4f4f2183977f3124b404d50 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.17 C#CCNc1ccccc1 61f0baab40ac49dd5c7bdcf3c0e69fb4 [1,1,0,0,0,0|0,0,2]=4 468 B10R1.17 C=CCNc1ccccc1 47db636c74d7e6cdd4488df2cb146b26 [1,1,0,0,0,0|0,0,2]=4 469 B10R1.17 CCCNc1ccccc1 b539dcf8361adb43cc5ffbb8617222f9 [1,1,0,0,0,0|0,0,0]=2 470 B10R1.17 CCCNc1ccccn1 d0e3424364e1c8a55b80e6e83d3696ba [1,1,0,0,0,0|1,0,0]=3 471 B10R1.17 CCCNc1cccnc1 54f0ece250e78709faf1eb2fd4dc869b [1,1,0,0,0,0|1,0,0]=3 472 B10R1.17 CCCNc1cccnn1 563334c6dadea743653cde03719d759b [1,1,0,0,0,0|2,0,0]=4 473 B10R1.17 CCCNc1ccncc1 d6095b2a5c05617a6cec49b81fb053c5 [1,1,0,0,0,0|1,0,0]=3 474 B10R1.17 CCCNc1ccncn1 b9fcfeaf51b4e3f06d605d771d307526 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.17 CCCNc1ccnnc1 2caee9d9c90b98666cbfecfa06fa8cff [1,1,0,0,0,0|2,0,0]=4 476 B10R1.17 CCCNc1cnccn1 21846cbecedbe2640cf1187c9cb12883 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.17 CCCNc1cncnc1 2bb7fb2ced184242938c7fda4c6e1a37 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.17 CCCNc1ncccn1 75419027ddb25105c51dd1506820ccba [1,1,0,0,0,0|2,0,0]=4 479 B10R1.17 CCCOc1ccccn1 6e04423b9fd777130a88eaa9fd38fe0c [1,1,0,0,0,0|1,0,0]=3 480 B10R1.17 CCCOc1cccnc1 a97f517fc793a805aaab3ac7468bbd26 [1,1,0,0,0,0|1,0,0]=3 481 B10R1.17 CCCOc1ccncc1 f349ca52270425380eacc7a2a158cca4 [1,1,0,0,0,0|1,0,0]=3 482 B10R1.17 CCCOc1ccnnc1 3c9c3d60b434f5a1bdb1673f40955496 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.17 CCCOc1cnccn1 63621ef82dd8a608febe84451551c55a [1,1,0,0,0,0|2,0,0]=4 484 B10R1.17 CCCOc1cncnc1 3e9abc9b1ba148ce4f151dd0bc3facae [1,1,0,0,0,0|2,0,0]=4 485 B10R1.17 CCCOc1ncccn1 5c5a6b9b9ac104a48d6c4b0d32992f0c [1,1,0,0,0,0|2,0,0]=4 486 B10R1.17 CCNCc1ccccc1 b1285c6596ffdf0473a3780bf23df272 [1,1,0,0,0,0|0,0,0]=2 487 B10R1.17 CCNCc1ccccn1 18cfef8413e038075fdfe85720c8bb60 [1,1,0,0,0,0|1,0,0]=3 488 B10R1.17 CCNCc1cccnc1 ef83bfb13d2744bc293d6f1d68f67b86 [1,1,0,0,0,0|1,0,0]=3 489 B10R1.17 CCNCc1cccnn1 d81bd9bf1bc516576c473bbc4cf064a6 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.17 CCNCc1ccncc1 2e26d8de78e71e06bcd28df387653244 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.17 CCNCc1ccncn1 ae6a093ba5aef71c0ed8d67651e0dd26 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.17 CCNCc1ccnnc1 dc0861acfe2535501016a881a15b8655 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.17 CCNCc1cnccn1 e42a4917d2a6a9dffed5bdafd4c5a5d6 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.17 CCNCc1cncnc1 f9703e58bb488c49affd31e2d844b19f [1,1,0,0,0,0|2,0,0]=4 495 B10R1.17 CCNCc1ncccn1 7e64da8f6dedc74d9803d8b0ac5afe0e [1,1,0,0,0,0|2,0,0]=4 496 B10R1.17 CCOCc1ccccc1 551a24ad73c54bc42b4e27015fdb411f [1,1,0,0,0,0|0,0,0]=2 497 B10R1.17 CCOCc1ccccn1 0c63694580ac3136b3801886d248907b [1,1,0,0,0,0|1,0,0]=3 498 B10R1.17 CCOCc1cccnc1 5f09f824e7a9d5177841898d80553992 [1,1,0,0,0,0|1,0,0]=3 499 B10R1.17 CCOCc1cccnn1 a18ecdaafc84bd92138525fb2f4ad399 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.17 CCOCc1ccncc1 1d1afe04b02325a5cf955e686c22ba10 [1,1,0,0,0,0|1,0,0]=3 501 B10R1.17 CCOCc1ccncn1 d55d0b80fa8d405bad8866668c0f9fa7 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.17 CCOCc1ccnnc1 eb3f0189714571d275860574016314ed [1,1,0,0,0,0|2,0,0]=4 503 B10R1.17 CCOCc1cnccn1 7fb271123056acc990d03d3767398eec [1,1,0,0,0,0|2,0,0]=4 504 B10R1.17 CCOCc1cncnc1 c69748ab8bdd1b31da65e1fc4248cd6d [1,1,0,0,0,0|2,0,0]=4 505 B10R1.17 CCOCc1ncccn1 ba95357c7224be2db8f523f6aa6f9bb0 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.17 COCNc1ccccc1 6c62c6b48b6ce69fe29d4b52e03d5674 [1,1,0,0,0,0|1,0,0]=3 507 B10R1.17 COCNc1ccccn1 a7abef3468bc69aa80ea510854a664da [1,1,0,0,0,0|2,0,0]=4 508 B10R1.17 COCNc1cccnc1 06eb298a8599044156c09f99ea626504 [1,1,0,0,0,0|2,0,0]=4 509 B10R1.17 COCNc1ccncc1 cff9bc6476b5f7fb176472d400021849 [1,1,0,0,0,0|2,0,0]=4 510 B10R1.17 COCOc1ccccn1 20cd252a71a5a01c3e93af63053a4326 [1,1,0,0,0,0|2,0,0]=4 511 B10R1.17 COCOc1cccnc1 d9b37fb8d6b9f459b8606485db596791 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.17 COCOc1ccncc1 18fbb570a0961cb423d27776329da350 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.17 CSCNc1ccccc1 7a27a5c68b132b0ae36908396631930e [1,1,0,0,0,0|1,0,0]=3 514 B10R1.17 CSCNc1ccccn1 cc0ec9b3c5cc0b5eddbb2cfb429d6e35 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.17 CSCNc1cccnc1 e9d3d08db46089fcfbd01833b3252a03 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.17 CSCNc1ccncc1 b2728812347dbf5a187f75cde2f2f0f7 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.17 CSCOc1ccccn1 af78560ad465f4d707ca132fa83d0e3a [1,1,0,0,0,0|2,0,0]=4 518 B10R1.17 CSCOc1cccnc1 ba5df6f707d429b8683f03b4c7f7b4a6 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.17 CSCOc1ccncc1 4513be07dbfed35afed2a35144dfb259 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.17 FCCNc1ccccc1 f275d2eb426a2818882d3c7dcacca572 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.17 FCCNc1ccccn1 6ab197fb6cbd8dea7ad6d85c80356b58 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.17 FCCNc1cccnc1 948881de1f8cebdb00d3305a89cccf21 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.17 FCCNc1ccncc1 261e26a80d82936049687c2cbf67d868 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.17 FCCOc1ccccn1 06b65dfb48082d4779fc37c34dadb476 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.17 FCCOc1cccnc1 7a88b89adbe5c70a007fa3204bf675ab [1,1,0,0,0,0|2,0,0]=4 526 B10R1.17 FCCOc1ccncc1 7674fd5219d4fad9f3b2390ff6ade4b7 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.17 FCNCc1ccccc1 0dcd541b35f2d813e3bd4529f13aa61b [1,1,0,0,0,0|1,0,0]=3 528 B10R1.17 FCNCc1ccccn1 14327276004818c05fc55a3ce987673c [1,1,0,0,0,0|2,0,0]=4 529 B10R1.17 FCNCc1cccnc1 303a68c3e72902076a5285aac654492a [1,1,0,0,0,0|2,0,0]=4 530 B10R1.17 FCNCc1ccncc1 f86a74e0d1d92929ce958fb624476f4c [1,1,0,0,0,0|2,0,0]=4 531 B10R1.17 FCOCc1ccccc1 602c85a0828834d1798ab6d91c5aa92b [1,1,0,0,0,0|1,0,0]=3 532 B10R1.17 FCOCc1ccccn1 52de5aacdb8cde16edb0cbea31183c40 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.17 FCOCc1cccnc1 d58467b55ec7fcb175961d4ef6210edb [1,1,0,0,0,0|2,0,0]=4 534 B10R1.17 FCOCc1ccncc1 90104d817a6745d762aa8ebc5bd6efa2 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.17 ICCNc1ccccc1 2e8d29f41a7952c3a309dd8ce57744b3 [1,1,0,0,0,0|1,0,0]=3 536 B10R1.17 ICCNc1cccnc1 bd2873fb4e8705ac6b2391510b61aca0 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.17 N#CCNc1ccccc1 fb8b42e8ff84ada914e54c1d3d6bf55b [1,1,0,0,0,0|1,0,1]=4 538 B10R1.17 N#CNCc1ccccc1 a34d70ab939a88101ebb668f17250d10 [1,1,0,0,0,0|1,0,1]=4 539 B10R1.17 O=CCNc1ccccc1 c4995b86d7297371e551e9130c388474 [1,1,0,0,0,0|1,0,1]=4 540 B10R1.17 O=CNCc1ccccc1 8c79f42269c527e7ed1741ce8019791f [1,1,0,0,0,0|1,0,1]=4 541 B10R1.17 OCCNc1ccccc1 39a30f826fab6ed2b66a9ec4a9dddbdb [1,1,0,0,0,0|1,0,0]=3 542 B10R1.17 OCCNc1ccccn1 14d1f9671b0391e7cf5b318b74673aa8 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.17 OCCNc1cccnc1 528072d5adbbf320415662e70c05db36 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.17 OCCNc1ccncc1 2d153fc0224e0960cc8e262d108ccf9f [1,1,0,0,0,0|2,0,0]=4 545 B10R1.17 OCNCc1ccccc1 c4aaeb48f32c090af3c65531a6e27cd4 [1,1,0,0,0,0|1,0,0]=3 546 B10R1.17 OCNCc1ccccn1 9488b9a65408dc593594baac432012ff [1,1,0,0,0,0|2,0,0]=4 547 B10R1.17 OCNCc1cccnc1 86bd6343ace558a3752eaa3d1a554844 [1,1,0,0,0,0|2,0,0]=4 548 B10R1.17 OCNCc1ccncc1 31d693e5cbaa1006fa13d8924b3493eb [1,1,0,0,0,0|2,0,0]=4 549 B10R1.17 SCCNc1ccccc1 9bbad99372906cf90d9dd5df1e41681f [1,1,0,0,0,0|1,0,0]=3 550 B10R1.17 SCCNc1ccccn1 de2447df01f4514b4267a28db291424f [1,1,0,0,0,0|2,0,0]=4 551 B10R1.17 SCCNc1cccnc1 d7661b93dffeb3e5de5eb3930ee71345 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.17 SCCNc1ccncc1 577353449c24c89c4540584279fd2c55 [1,1,0,0,0,0|2,0,0]=4 553 B10R1.17 SCCOc1ccccn1 80884e7103538d273738856f1f9d4222 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.17 SCCOc1cccnc1 84b759d60311f3e5695c1f1ffc5005e0 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.17 SCCOc1ccncc1 bcb2c22e459aa7ecd2660e818a75429e [1,1,0,0,0,0|2,0,0]=4 556 B10R1.18 CC(C)Nc1ccccc1 678b2595d663b993cd638fb4df86366a [1,1,0,0,0,0|1,0,0]=3 557 B10R1.18 CC(C)Nc1ccccn1 8f41ba2831fdc97ef841b17526dcf604 [1,1,0,0,0,0|2,0,0]=4 558 B10R1.18 CC(C)Nc1cccnc1 b32b013363863cea153240b96e97c19f [1,1,0,0,0,0|2,0,0]=4 559 B10R1.18 CC(C)Nc1ccncc1 ed919cf6533ea85c87fe5a974cf5c4b4 [1,1,0,0,0,0|2,0,0]=4 560 B10R1.18 CC(C)Oc1ccccn1 0855bdc27823287e98107cda25a8e4de [1,1,0,0,0,0|2,0,0]=4 561 B10R1.18 CC(C)Oc1cccnc1 2d5fbf8b6573bcaaa6ad1437daf348fa [1,1,0,0,0,0|2,0,0]=4 562 B10R1.18 CC(C)Oc1ccncc1 fcbd1de824cfd0b7040632344868de57 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.11 CCNC(C)c1ccco1 ee141e1d5a490da9995e04ce24e590f9 [0,1,0,0,1,0|2,0,0]=4 564 B10R1.11 CCNC(C)c1cccs1 d217c6227164550e2cf27839f17d7b0d [0,1,0,0,1,0|2,0,0]=4 565 B10R1.11 CCNC(C)c1ccoc1 51f91e7819ff70ad589a19783d2d1e7f [0,1,0,0,1,0|2,0,0]=4 566 B10R1.11 CCNC(C)c1ccsc1 da7e9bdf27e108bf068594aa9e1ae5c7 [0,1,0,0,1,0|2,0,0]=4 567 B10R1.11 CCN[C@@H](C)c1cccs1 643308288281e4a79a1aad46b2b514f3 [0,1,0,0,1,0|2,0,0]=4 568 B10R1.11 CCN[C@@H](C)c1ccoc1 75425dbf96352882f156e81d62516f84 [0,1,0,0,1,0|2,0,0]=4 569 B10R1.11 CCN[C@@H](C)c1ccsc1 ecd13388917411273807ea58bccd8785 [0,1,0,0,1,0|2,0,0]=4 570 B10R1.11 CCN[C@H](C)c1ccco1 28eb0d4eaae628536a1bf1f770a877ab [0,1,0,0,1,0|2,0,0]=4 571 B10R1.11 CCN[C@H](C)c1cccs1 1ca8e8649158371392ad7c6e6ba6e0fd [0,1,0,0,1,0|2,0,0]=4 572 B10R1.11 CCOC(C)c1ccco1 3bd2b9ad01c83442911e7c1be5d2164d [0,1,0,0,1,0|2,0,0]=4 573 B10R1.11 CCOC(C)c1cccs1 bdf7829759511c8c50ea2c2aa36d0560 [0,1,0,0,1,0|2,0,0]=4 574 B10R1.11 CCOC(C)c1ccoc1 b62fd210eab0f455e78a5ca427ee9550 [0,1,0,0,1,0|2,0,0]=4 575 B10R1.11 CCOC(C)c1ccsc1 5d15722a3738ca4ca2fd2a1a16b34eaf [0,1,0,0,1,0|2,0,0]=4 576 B10R1.11 CCO[C@@H](C)c1cccs1 83b5158aea0e4d918b99a57a2b105a52 [0,1,0,0,1,0|2,0,0]=4 577 B10R1.11 CCO[C@H](C)c1ccco1 3c8ceb0e1dd139cd9173630218700cc9 [0,1,0,0,1,0|2,0,0]=4 578 B10R1.11 CCO[C@H](C)c1cccs1 9c5599ca0a5afb0124dc5c8f4336622b [0,1,0,0,1,0|2,0,0]=4 579 B12R1.32 CC(CC#N)Nc1ccccc1 9d497ef86eee6b3cf19732b73151dfc5 [0,1,0,0,0,1|1,0,1]=4 580 B12R1.32 CC(CCO)Nc1ccccc1 9bf70c52b6fbdda0acbad0fbf8bda5d0 [0,1,0,0,0,1|1,0,0]=3 581 B12R1.32 CC(CCO)Nc1cccnc1 c7b8a995c73abbf3a7b86a5a39f02f1b [0,1,0,0,0,1|2,0,0]=4 582 B12R1.32 CC(CCO)Nc1ccncc1 e7559995cfc95ed911e5a498afe30c74 [0,1,0,0,0,1|2,0,0]=4 583 B12R1.32 CCCC(C)Nc1ccccc1 0980d123cfa1556625b2cd315916fb5f [0,1,0,0,0,1|1,0,0]=3 584 B12R1.32 CCCC(C)Nc1ccccn1 2669f8567b938ac2a918e85bd69bb770 [0,1,0,0,0,1|2,0,0]=4 585 B12R1.32 CCCC(C)Nc1cccnc1 af2a7472e895c61981327f4b8de00ee9 [0,1,0,0,0,1|2,0,0]=4 586 B12R1.32 CCCC(C)Nc1ccncc1 bc7c26623f29f55d18fe6bfa5e660a5e [0,1,0,0,0,1|2,0,0]=4 587 B12R1.32 CCCC(C)Oc1ccccn1 f14a322e30e4491e36792a6fd64a30e7 [0,1,0,0,0,1|2,0,0]=4 588 B12R1.32 CCCC(C)Oc1cccnc1 16283b7b4266224a92efdc8338a94776 [0,1,0,0,0,1|2,0,0]=4 589 B12R1.32 CCCC(C)Oc1ccncc1 b9d7beb71b6c3dd797277820c00f9552 [0,1,0,0,0,1|2,0,0]=4 590 B12R1.32 CCCN(C)Cc1ccccc1 4eed5f3692a34dc05deac3e14f757f4f [0,1,0,0,0,1|2,0,0]=4 591 B12R1.32 CCC[C@H](C)Nc1ccccc1 14114dc7aca9a95d33818d8f8cfafa73 [0,1,0,0,0,1|1,0,0]=3 592 B12R1.32 CCNC(C)Cc1ccccn1 3f739570fdaf944ffb41444c69149a83 [0,1,0,0,0,1|2,0,0]=4 593 B12R1.32 CCNC(C)Cc1cccnc1 1c73ce06501092b14624237b8eaa830e [0,1,0,0,0,1|2,0,0]=4 594 B12R1.32 CCNC(C)Cc1ccncc1 1ac39eab33f6c8633237d01993a17382 [0,1,0,0,0,1|2,0,0]=4 595 B12R1.32 CCOC(C)Cc1ccccc1 37a2c2b5ef50b1a7cf2088b7456e4451 [0,1,0,0,0,1|1,0,0]=3 596 B12R1.32 CCOC(C)Cc1ccccn1 144eae020541eabb52d7b3534ceef0a4 [0,1,0,0,0,1|2,0,0]=4 597 B12R1.32 CCO[C@@H](C)Cc1ccccc1 19276107fa4d022850aeee4089dafd0c [0,1,0,0,0,1|1,0,0]=3 598 B12R1.32 CCO[C@H](C)Cc1ccccc1 2f8e91d1dc9d2f9667dcff63e87e082c [0,1,0,0,0,1|1,0,0]=3 599 B12R1.32 CN(CCF)Cc1ccccc1 c2bce3f6897fd6361961da43db186c6c [0,1,0,0,0,1|2,0,0]=4 600 B12R1.32 CN(CCO)Cc1ccccc1 757bf36fdf4b02517da3241e86467be6 [0,1,0,0,0,1|2,0,0]=4 601 B12R1.32 CN(CCS)Cc1ccccc1 8e8f744accb260bbf35bc2715f513a4e [0,1,0,0,0,1|2,0,0]=4 602 B12R1.32 COCC(C)Nc1ccccc1 918c3e9faef698920f78ca93350fda53 [0,1,0,0,0,1|1,0,0]=3 603 B12R1.32 COCC(C)Nc1ccccn1 b87c4274a798014c5caa22801a140abd [0,1,0,0,0,1|2,0,0]=4 604 B12R1.32 COCC(C)Nc1cccnc1 b812752e64d8737319fd6f3db07b6bc1 [0,1,0,0,0,1|2,0,0]=4 605 B12R1.32 COCC(C)Nc1ccncc1 33b554ac3febbeb05911740b59f936a4 [0,1,0,0,0,1|2,0,0]=4 606 B12R1.32 COCC(C)Oc1ccccn1 668fa5e1f0515f975b72eaca09bba005 [0,1,0,0,0,1|2,0,0]=4 607 B12R1.32 COCC(C)Oc1cccnc1 e8657e7fea231a3cbb0976e5d4a5b3d8 [0,1,0,0,0,1|2,0,0]=4 608 B12R1.32 COCC(C)Oc1ccncc1 971ee2e47f6b711ed0fcda630805e921 [0,1,0,0,0,1|2,0,0]=4 609 B12R1.32 COCN(C)Cc1ccccc1 4d05c3d6ddf3ecec9a6b681c1068023b [0,1,0,0,0,1|2,0,0]=4 610 B12R1.32 COC[C@@H](C)Nc1ccccc1 b6337fbd6f770477a80a235354ba550b [0,1,0,0,0,1|1,0,0]=3 611 B12R1.32 COC[C@@H](C)Nc1cccnc1 516207c81acf2dd1d4472d7b45572390 [0,1,0,0,0,1|2,0,0]=4 612 B12R1.32 COC[C@H](C)Nc1ccccc1 6b0bb5bdf147fc56918f57a798a463a2 [0,1,0,0,0,1|1,0,0]=3 613 B12R1.32 COC[C@H](C)Nc1cccnc1 0cec544e296a1ace9f6fb9794ec8ae21 [0,1,0,0,0,1|2,0,0]=4 614 B12R1.32 CSCN(C)Cc1ccccc1 d9791fc92d257d5436d9d59fe9a2c04e [0,1,0,0,0,1|2,0,0]=4 615 B12R1.32 C[C@@H](CCO)Nc1ccccc1 fc83b26b05d5bb1e6a4de978429a6aa3 [0,1,0,0,0,1|1,0,0]=3 616 B12R1.32 C[C@@H](CCO)Nc1cccnc1 c87bea4e8a4cfebb37b775d259b404cc [0,1,0,0,0,1|2,0,0]=4 617 B12R1.32 C[C@H](CCO)Nc1ccccc1 83604672ebfdf7df8b733c8cb4f2aa8a [0,1,0,0,0,1|1,0,0]=3 618 B12R1.32 C[C@H](CCO)Nc1cccnc1 ea70f12899bf83773b62a2d4a165c5b7 [0,1,0,0,0,1|2,0,0]=4 619 B12R1.34 CC(CO)N(C)c1ccccc1 a7ee7abf471efad76d65ff005aacf1dd [0,1,0,0,0,1|2,0,0]=4 620 B12R1.34 CCC(C)N(C)c1cccnc1 707e066f5f77e29216e51fa77aa6ca79 [0,1,0,0,0,1|2,0,0]=4 621 B12R1.34 CCC(C)N(C)c1ccncc1 628de20d8e2aadb9b61c93e1ee94b466 [0,1,0,0,0,1|2,0,0]=4 622 B12R1.34 CCN(C)C(=O)c1ccccc1 ec42892db6b620c971271a983914a3d4 [0,1,0,0,0,1|2,0,0]=4 623 B12R1.34 C[C@@H](CO)N(C)c1ccccc1 96b24e6691fa0d3459c276c6ca2c2615 [0,1,0,0,0,1|2,0,0]=4 624 B12R1.34 C[C@H](CO)N(C)c1ccccc1 a37c707a1c025793f08fdf6588fbc88b [0,1,0,0,0,1|2,0,0]=4 625 B12R1.43 CC(=O)C(C)Nc1ccccc1 a5a89e613210df479342158a0b1bf72b [0,1,0,0,0,1|1,0,1]=4 626 B12R1.43 CC(C)C(C)Nc1ccccc1 48093fab6ce2f9bea5eaf7557d6a555a [0,1,0,0,0,1|1,0,0]=3 627 B12R1.43 CC(C)C(C)Nc1ccccn1 56417f300787c21b824e0c0aa0c41aee [0,1,0,0,0,1|2,0,0]=4 628 B12R1.43 CC(C)C(C)Nc1cccnc1 d9c105ac720d93c173804a1a7215f55a [0,1,0,0,0,1|2,0,0]=4 629 B12R1.43 CC(C)C(C)Nc1ccncc1 f569432198f25ecd4f5fab536aa2585a [0,1,0,0,0,1|2,0,0]=4 630 B12R1.43 CC(C)C(C)Oc1ccccn1 0d1f1b8bafc8f4ae0cafc9a3a285e8fd [0,1,0,0,0,1|2,0,0]=4 631 B12R1.43 CC(C)C(C)Oc1cccnc1 7dd98d846884613a0fa0dacf726d609e [0,1,0,0,0,1|2,0,0]=4 632 B12R1.43 CC(C)C(C)Oc1ccncc1 e9f09d2447e1596ae903cb10648aeae2 [0,1,0,0,0,1|2,0,0]=4 633 B12R1.43 CC(C)N(C)Cc1ccccc1 d5edd43e495581ab07d4c878cf7efc6a [0,1,0,0,0,1|2,0,0]=4 634 B12R1.43 CC(C)[C@@H](C)Nc1ccccc1 638de983f09ad8573a19e829866f679b [0,1,0,0,0,1|1,0,0]=3 635 B12R1.43 CC(C)[C@@H](C)Nc1cccnc1 8cc5cb560100920359a30d0b936931d0 [0,1,0,0,0,1|2,0,0]=4 636 B12R1.43 CC(C)[C@H](C)Nc1ccccc1 37a4cc2968d8598e2dd44bb0f3ee65d4 [0,1,0,0,0,1|1,0,0]=3 637 B12R1.43 CC(C)[C@H](C)Nc1cccnc1 a0486500948362bfb0f4d9c857b8c881 [0,1,0,0,0,1|2,0,0]=4 638 B12R1.43 CC(O)C(C)Nc1ccccc1 807016486516eda629177f9c4eb1e753 [0,1,0,0,0,1|1,0,0]=3 639 B12R1.43 CC(O)C(C)Nc1cccnc1 16f61952065d032141860c15b03f12c0 [0,1,0,0,0,1|2,0,0]=4 640 B12R1.43 C[C@@H](Nc1ccccc1)C(F)F 0725725b1a04a0d41d2316c9b2ed73b0 [0,1,0,0,0,1|2,0,0]=4 641 B12R1.43 C[C@H](Nc1ccccc1)C(F)F 14231ae717c62ec767200c948d4825fd [0,1,0,0,0,1|2,0,0]=4 642 B12R1.49 CC(CO)Nc1ccc(cc1)Br 592ef5953e06db03ec99416b117263ef [0,1,0,0,0,1|2,0,0]=4 643 B12R1.49 CC(CO)Nc1ccc(cc1)Cl 6e245977f2eddb60c0247b5c843b676d [0,1,0,0,0,1|2,0,0]=4 644 B12R1.49 CC(CO)Nc1ccc(cc1)F 4b0578096f484cca12cad3c022131099 [0,1,0,0,0,1|2,0,0]=4 645 B12R1.49 CC(CO)Nc1ccc(cc1)I 774ceb747df2f9a4ee3d7a744cbb4ea7 [0,1,0,0,0,1|2,0,0]=4 646 B12R1.49 CC(CO)Nc1ccc(cc1)S 6476a5e0718364a34b1792ef13298738 [0,1,0,0,0,1|2,0,0]=4 647 B12R1.49 CCC(=O)Nc1ccc(cc1)C 79f85c340b8d9f58b49d7b6f9a8dfc11 [0,1,0,0,0,1|0,0,2]=4 648 B12R1.49 CCC(=O)Nc1ccc(cc1)F 83296be78013d22bde288706294cc3c2 [0,1,0,0,0,1|0,0,2]=4 649 B12R1.49 CCC(=O)Nc1ccc(cc1)I ea4449478b305bcdf4993b64150ff83b [0,1,0,0,0,1|0,0,2]=4 650 B12R1.49 CCC(=O)Nc1ccc(cc1)S 16412742e86774c316b42ab9bc2f75dc [0,1,0,0,0,1|0,0,2]=4 651 B12R1.49 CCC(C)Nc1ccc(=O)[nH]c1 9c3a051318b69b42c506acf71baaab78 [0,1,0,0,0,1|2,0,0]=4 652 B12R1.49 CCC(C)Nc1ccc(cc1)Br 4d1c483cf4afbfba9a2f8d3db94bec3f [0,1,0,0,0,1|1,0,0]=3 653 B12R1.49 CCC(C)Nc1ccc(cc1)C 3b1fa0514d720f4b3db404292b778124 [0,1,0,0,0,1|1,0,0]=3 654 B12R1.49 CCC(C)Nc1ccc(cc1)Cl 76d63efd5fc59378ea17379a47e7b19f [0,1,0,0,0,1|1,0,0]=3 655 B12R1.49 CCC(C)Nc1ccc(cc1)F e00a92636e95efc27604581ea177b931 [0,1,0,0,0,1|1,0,0]=3 656 B12R1.49 CCC(C)Nc1ccc(cc1)I 442f4ce893379ae3f70afc3980567446 [0,1,0,0,0,1|1,0,0]=3 657 B12R1.49 CCC(C)Nc1ccc(cc1)S d4e426a89d91db8144c9fb2dff511b9d [0,1,0,0,0,1|1,0,0]=3 658 B12R1.49 CCC(C)Nc1ccc(cn1)Br aaca4ce415a7931961931f78f98ab278 [0,1,0,0,0,1|2,0,0]=4 659 B12R1.49 CCC(C)Nc1ccc(cn1)C 3974fbee8e41b47cf8e28862ad4333fe [0,1,0,0,0,1|2,0,0]=4 660 B12R1.49 CCC(C)Nc1ccc(cn1)Cl 66ff8b89026469a8e38c6095deb6d916 [0,1,0,0,0,1|2,0,0]=4 661 B12R1.49 CCC(C)Nc1ccc(cn1)F 1726cfb6c29c4023149de22239fc486c [0,1,0,0,0,1|2,0,0]=4 662 B12R1.49 CCC(C)Nc1ccc(cn1)I 34f181f4c3129e8b65847ab4adfa052b [0,1,0,0,0,1|2,0,0]=4 663 B12R1.49 CCC(C)Nc1ccc(nc1)Br d54c0572efadfb4c8f4847bf437a2c7d [0,1,0,0,0,1|2,0,0]=4 664 B12R1.49 CCC(C)Nc1ccc(nc1)C d6ad82578c876ee968feac0cec45d888 [0,1,0,0,0,1|2,0,0]=4 665 B12R1.49 CCC(C)Nc1ccc(nc1)Cl 518238fe62da44e7f2bfc38c3bdbfb29 [0,1,0,0,0,1|2,0,0]=4 666 B12R1.49 CCC(C)Nc1ccc(nc1)F d59e4f4e8b2b0114fd8798e34fba4a26 [0,1,0,0,0,1|2,0,0]=4 667 B12R1.49 CCC(C)Nc1ccc(nc1)I 766aa3865a62312e75c4abba9187c088 [0,1,0,0,0,1|2,0,0]=4 668 B12R1.49 CCC(C)Oc1ccc(cc1)Br e9ac760eb966c46626ad8cc78ce8ab95 [0,1,0,0,0,1|1,0,0]=3 669 B12R1.49 CCC(C)Oc1ccc(cc1)C 7e96b7f640ec60a64eac66e0769be3a7 [0,1,0,0,0,1|1,0,0]=3 670 B12R1.49 CCC(C)Oc1ccc(cc1)Cl e4591e0baef7f8d77d4837bf4d9fdb37 [0,1,0,0,0,1|1,0,0]=3 671 B12R1.49 CCC(C)Oc1ccc(cc1)F c16cd2d17d48a9601c3d676d21db62eb [0,1,0,0,0,1|1,0,0]=3 672 B12R1.49 CCC(C)Oc1ccc(cc1)I 1f03b3dddba16cff63099651f2c3fd3b [0,1,0,0,0,1|1,0,0]=3 673 B12R1.49 CCC(C)Oc1ccc(cc1)S d9f5a2f73690dbd57408915a8a39b443 [0,1,0,0,0,1|1,0,0]=3 674 B12R1.49 CCC(C)Oc1ccc(cn1)C 86885d95e1bb6039e358749c7fcfdfa1 [0,1,0,0,0,1|2,0,0]=4 675 B12R1.49 CCC(C)Oc1ccc(cn1)Cl 595bbd3cd42cdab404b4be664ed271c9 [0,1,0,0,0,1|2,0,0]=4 676 B12R1.49 CCC(C)Oc1ccc(cn1)F a952b0d45add5cc8619832f121e6479a [0,1,0,0,0,1|2,0,0]=4 677 B12R1.49 CCC(C)Oc1ccc(cn1)I 59c9a3e88e3dcecd675196783f853b2e [0,1,0,0,0,1|2,0,0]=4 678 B12R1.49 CCC(C)Oc1ccc(nc1)Br 516eff06c3a3a1ff8c5f0f3c5810da98 [0,1,0,0,0,1|2,0,0]=4 679 B12R1.49 CCC(C)Oc1ccc(nc1)C 1854083619ec73eee9198b834003b342 [0,1,0,0,0,1|2,0,0]=4 680 B12R1.49 CCC(C)Oc1ccc(nc1)Cl e1bf6ecb1ecdae647567f976542296a9 [0,1,0,0,0,1|2,0,0]=4 681 B12R1.49 CCC(C)Oc1ccc(nc1)F 89b79d90d644d22250fbc4a007feb1fb [0,1,0,0,0,1|2,0,0]=4 682 B12R1.49 CCC(C)Oc1ccc(nc1)I 8b1b0ad039b58415fb42dcc3a01e22b2 [0,1,0,0,0,1|2,0,0]=4 683 B12R1.49 CCN(C)Cc1ccc(cc1)Br 1cd45e4ca45fae9e98f9fb1c46e39cc6 [0,1,0,0,0,1|2,0,0]=4 684 B12R1.49 CCN(C)Cc1ccc(cc1)C 055291017524f626e0726902d4240145 [0,1,0,0,0,1|2,0,0]=4 685 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 44a860069a7f680293c76e814fd41a95 [0,1,0,0,0,1|2,0,0]=4 686 B12R1.49 CCN(C)Cc1ccc(cc1)F 54dace8f30df290c27637058b77ffe21 [0,1,0,0,0,1|2,0,0]=4 687 B12R1.49 CCN(C)Cc1ccc(cc1)I 5d72761060d288ad1c94906cd08bd152 [0,1,0,0,0,1|2,0,0]=4 688 B12R1.49 CC[C@@H](C)Nc1ccc(cc1)S cbd8e9c1c5acf2775569733e10999d98 [0,1,0,0,0,1|1,0,0]=3 689 B12R1.49 CC[C@H](C)Nc1ccc(cc1)S fffd6af76aaef88a5e0ba51aece02cfc [0,1,0,0,0,1|1,0,0]=3 690 B12R1.49 C[C@@H](CO)Nc1ccc(cc1)Br 81ff9fcc021a132282f1894c27228443 [0,1,0,0,0,1|2,0,0]=4 691 B12R1.49 C[C@@H](CO)Nc1ccc(cc1)Cl 895f70fe0dbe38715df711db55f41f0c [0,1,0,0,0,1|2,0,0]=4 692 B12R1.49 C[C@@H](CO)Nc1ccc(cc1)F 9b79cc3b0525c5fa5f4e86071dc6a6d4 [0,1,0,0,0,1|2,0,0]=4 693 B12R1.49 C[C@@H](CO)Nc1ccc(cc1)I f030c452e948f44d3d2e91d60b707da3 [0,1,0,0,0,1|2,0,0]=4 694 B12R1.49 C[C@@H](CO)Nc1ccc(cc1)S 43c8b001202cbd567805dbe271a67550 [0,1,0,0,0,1|2,0,0]=4 695 B12R1.49 C[C@H](CO)Nc1ccc(cc1)Br af8120a15198da801643963289e3f0b4 [0,1,0,0,0,1|2,0,0]=4 696 B12R1.49 C[C@H](CO)Nc1ccc(cc1)Cl 356f51342fc5e10d8fb2b3371a2ed97a [0,1,0,0,0,1|2,0,0]=4 697 B12R1.49 C[C@H](CO)Nc1ccc(cc1)F 1f77c87bbae95423a93fe876d033eefc [0,1,0,0,0,1|2,0,0]=4 698 B12R1.49 C[C@H](CO)Nc1ccc(cc1)I a3869a49772cee44011ad8dc480d5c9d [0,1,0,0,0,1|2,0,0]=4 699 B12R1.49 C[C@H](CO)Nc1ccc(cc1)S 85732fce8faa73b572919e248911292a [0,1,0,0,0,1|2,0,0]=4 700 B12R1.49 Cc1ccc(cc1)NC(C)CO 3a65f703743c7582d59d27c4b911a046 [0,1,0,0,0,1|2,0,0]=4 701 B12R1.49 Cc1ccc(cc1)N[C@@H](C)CO 2d26d3567e3cf630da5665d889609cd2 [0,1,0,0,0,1|2,0,0]=4 702 B12R1.49 Cc1ccc(cc1)N[C@H](C)CO ef5026ef31ef684c9c9940edc6a6ea55 [0,1,0,0,0,1|2,0,0]=4 703 B12R1.50 CC(CO)Nc1cccc(c1)Br 576ec4f6677be1f0394edeaf258b38fe [0,1,0,0,0,1|2,0,0]=4 704 B12R1.50 CC(CO)Nc1cccc(c1)Cl bd22220cbe1e26dbecd73c43bc0875f8 [0,1,0,0,0,1|2,0,0]=4 705 B12R1.50 CC(CO)Nc1cccc(c1)F 61b69c3784d43bb9b9681ef8141ee922 [0,1,0,0,0,1|2,0,0]=4 706 B12R1.50 CC(CO)Nc1cccc(c1)I 6634a846fe603d296254a7ec9e7b692c [0,1,0,0,0,1|2,0,0]=4 707 B12R1.50 CCC(=O)Nc1cccc(c1)C 2737599ddde5d8177973ef2c3a29d8a7 [0,1,0,0,0,1|0,0,2]=4 708 B12R1.50 CCC(=O)Nc1cccc(c1)F b1eed650df5e4ef8132194c2d238c576 [0,1,0,0,0,1|0,0,2]=4 709 B12R1.50 CCC(=O)Nc1cccc(c1)I 1adeed8de106dd6458bcd0d4c0edd210 [0,1,0,0,0,1|0,0,2]=4 710 B12R1.50 CCC(C)Nc1cc(ccn1)Br 594e6ed63689a65d4a0c6fc159c9e517 [0,1,0,0,0,1|2,0,0]=4 711 B12R1.50 CCC(C)Nc1cc(ccn1)C 81ee07239cb203358014a073f1e632ff [0,1,0,0,0,1|2,0,0]=4 712 B12R1.50 CCC(C)Nc1cc(ccn1)Cl 8093c1dc42b9a1ce87c476e26f12f224 [0,1,0,0,0,1|2,0,0]=4 713 B12R1.50 CCC(C)Nc1cc(ccn1)F a49a6f9aca7266ce3f010141e3df96cd [0,1,0,0,0,1|2,0,0]=4 714 B12R1.50 CCC(C)Nc1cc(ccn1)I 9a8c8d9b737531a6388ece43ef69dbcd [0,1,0,0,0,1|2,0,0]=4 715 B12R1.50 CCC(C)Nc1cc[nH]c(=S)c1 4ee5ef530c2ed0339494c6b0ef0f7b05 [0,1,0,0,0,1|2,0,0]=4 716 B12R1.50 CCC(C)Nc1cccc(c1)Br 1d66578ce06ff9734ac9091e085e6a07 [0,1,0,0,0,1|1,0,0]=3 717 B12R1.50 CCC(C)Nc1cccc(c1)C d7cf6e3b62030f874de6f1eb9d16cf4f [0,1,0,0,0,1|1,0,0]=3 718 B12R1.50 CCC(C)Nc1cccc(c1)Cl 08bdcd143bf3141bf35886f1a7a48241 [0,1,0,0,0,1|1,0,0]=3 719 B12R1.50 CCC(C)Nc1cccc(c1)F abc1ee7f668b8358dc6ca8fd4a50a6d5 [0,1,0,0,0,1|1,0,0]=3 720 B12R1.50 CCC(C)Nc1cccc(c1)I bc6d04f9805b80597b81c6888c542900 [0,1,0,0,0,1|1,0,0]=3 721 B12R1.50 CCC(C)Nc1cccc(c1)S 2cd18a9ced79be6a90be5bf41232bef9 [0,1,0,0,0,1|1,0,0]=3 722 B12R1.50 CCC(C)Nc1cccc(n1)Br 1b80b2884dc3ef58e1e29baaa3fced62 [0,1,0,0,0,1|2,0,0]=4 723 B12R1.50 CCC(C)Nc1cccc(n1)C 02f6945e301e5f640cb0c4d8447bbcde [0,1,0,0,0,1|2,0,0]=4 724 B12R1.50 CCC(C)Nc1cccc(n1)F ce3dbcda0cb4b82b1a9c3eb4b0fca195 [0,1,0,0,0,1|2,0,0]=4 725 B12R1.50 CCC(C)Nc1cccc(n1)I af587b2d186b1981e1db504b2936c2d3 [0,1,0,0,0,1|2,0,0]=4 726 B12R1.50 CCC(C)Nc1ccnc(c1)Br 6f28fcb279a24cbf0723c3ad126b5941 [0,1,0,0,0,1|2,0,0]=4 727 B12R1.50 CCC(C)Nc1ccnc(c1)C 0fe84843b27eab06f2f1e487cf4c5dbb [0,1,0,0,0,1|2,0,0]=4 728 B12R1.50 CCC(C)Nc1ccnc(c1)Cl d909c294ad81982105b2f5496a876878 [0,1,0,0,0,1|2,0,0]=4 729 B12R1.50 CCC(C)Nc1ccnc(c1)F a2d446064d16153865ba1c1a21ff763b [0,1,0,0,0,1|2,0,0]=4 730 B12R1.50 CCC(C)Nc1ccnc(c1)I 4aec7e4ac43f5e4de2fd256b20cd4672 [0,1,0,0,0,1|2,0,0]=4 731 B12R1.50 CCC(C)Nc1cncc(c1)Br 11ee3a83ff17a0c950f87cd89392d758 [0,1,0,0,0,1|2,0,0]=4 732 B12R1.50 CCC(C)Nc1cncc(c1)C 6a45679c027d7e3c7aa59f2b33b76ccf [0,1,0,0,0,1|2,0,0]=4 733 B12R1.50 CCC(C)Nc1cncc(c1)Cl b7b671f873787bb176c2918252d6cb15 [0,1,0,0,0,1|2,0,0]=4 734 B12R1.50 CCC(C)Nc1cncc(c1)F 1a6f9d9f00290d056a9867015deda6c3 [0,1,0,0,0,1|2,0,0]=4 735 B12R1.50 CCC(C)Nc1cncc(c1)I aea7fe4404ff9ed6b9767ef9464031cf [0,1,0,0,0,1|2,0,0]=4 736 B12R1.50 CCC(C)Oc1cc(ccn1)Br 028aeba17a276b5d68e0c3910a92a015 [0,1,0,0,0,1|2,0,0]=4 737 B12R1.50 CCC(C)Oc1cc(ccn1)C 0c59f69bf438fad3881c8cf68db492f1 [0,1,0,0,0,1|2,0,0]=4 738 B12R1.50 CCC(C)Oc1cc(ccn1)Cl b70af3679db70e9128636896a00fd4fc [0,1,0,0,0,1|2,0,0]=4 739 B12R1.50 CCC(C)Oc1cc(ccn1)F 03ae7f5980d0b550991f1275c0cafacb [0,1,0,0,0,1|2,0,0]=4 740 B12R1.50 CCC(C)Oc1ccc[n+](c1)[O-] a8e4f7d8b49eb67b533cc522852da09f [0,1,0,0,0,1|2,0,0]=4 741 B12R1.50 CCC(C)Oc1cccc(=O)[nH]1 2f2f4d448d4abe1030945ebab86c3839 [0,1,0,0,0,1|2,0,0]=4 742 B12R1.50 CCC(C)Oc1cccc(c1)Br 11f5b596601cd571c59ff2afebc8ce7a [0,1,0,0,0,1|1,0,0]=3 743 B12R1.50 CCC(C)Oc1cccc(c1)C 9cbbc47209d16c8e877df0d39e5bcab2 [0,1,0,0,0,1|1,0,0]=3 744 B12R1.50 CCC(C)Oc1cccc(c1)Cl 3dfa34a86dfbb1225b2fc77d38aaa045 [0,1,0,0,0,1|1,0,0]=3 745 B12R1.50 CCC(C)Oc1cccc(c1)F 11c1cebedbe6e61c8d433bebe0c72b96 [0,1,0,0,0,1|1,0,0]=3 746 B12R1.50 CCC(C)Oc1cccc(c1)I 7ed5e0b105802053e06ca681572fa199 [0,1,0,0,0,1|1,0,0]=3 747 B12R1.50 CCC(C)Oc1cccc(c1)S 4218a788a21d0fc160d2648a272c1309 [0,1,0,0,0,1|1,0,0]=3 748 B12R1.50 CCC(C)Oc1cccc(n1)Br 5e51c0ee115824bdb7404a2b4678fc74 [0,1,0,0,0,1|2,0,0]=4 749 B12R1.50 CCC(C)Oc1cccc(n1)C 378f6d8983d81f2e553e3ceddf6f5528 [0,1,0,0,0,1|2,0,0]=4 750 B12R1.50 CCC(C)Oc1cccc(n1)F 46239b9700f039405da1d416ed1cb61b [0,1,0,0,0,1|2,0,0]=4 751 B12R1.50 CCC(C)Oc1ccnc(c1)Br 86da4322aa67dc2f0dfae3729964d95c [0,1,0,0,0,1|2,0,0]=4 752 B12R1.50 CCC(C)Oc1ccnc(c1)C 082e769eb9d051269da6762ff8315229 [0,1,0,0,0,1|2,0,0]=4 753 B12R1.50 CCC(C)Oc1ccnc(c1)Cl 7ca9f6bc04d64bd46ca08b56b3a2c210 [0,1,0,0,0,1|2,0,0]=4 754 B12R1.50 CCC(C)Oc1ccnc(c1)F bd8549b1a5cfdc2591f214ee620f4027 [0,1,0,0,0,1|2,0,0]=4 755 B12R1.50 CCC(C)Oc1cncc(c1)C 0aad02547d755d9761e20ef29077a45d [0,1,0,0,0,1|2,0,0]=4 756 B12R1.50 CCC(C)Oc1cncc(c1)Cl 0fd4f84080d21e745abce5d5e3c89a32 [0,1,0,0,0,1|2,0,0]=4 757 B12R1.50 CCC(C)Oc1cncc(c1)F 7d9b909a57c676f99056261286b82d07 [0,1,0,0,0,1|2,0,0]=4 758 B12R1.50 CCC(C)Oc1cncc(c1)I 05c43e2aff453430b5123e3d78482718 [0,1,0,0,0,1|2,0,0]=4 759 B12R1.50 CCN(C)Cc1cccc(c1)Br 0cfb611857c5cb7cc30f39c3873140b0 [0,1,0,0,0,1|2,0,0]=4 760 B12R1.50 CCN(C)Cc1cccc(c1)C 53ad3a118e4ee122b8b7018696871a03 [0,1,0,0,0,1|2,0,0]=4 761 B12R1.50 CCN(C)Cc1cccc(c1)Cl e6a716bb03372171d841e30f8f33fb19 [0,1,0,0,0,1|2,0,0]=4 762 B12R1.50 CCN(C)Cc1cccc(c1)F f82e676ee923805ac44e861b9bf86187 [0,1,0,0,0,1|2,0,0]=4 763 B12R1.50 CCN(C)Cc1cccc(c1)I e43924ee04038b2970f0d94ad73ebdd0 [0,1,0,0,0,1|2,0,0]=4 764 B12R1.50 CC[C@@H](C)Nc1cccc(c1)C 45d939f81c7b7d38cc39ca453cc6d8b9 [0,1,0,0,0,1|1,0,0]=3 765 B12R1.50 CC[C@H](C)Nc1cccc(c1)C 5181036d0ad680b57bb138220216ae0c [0,1,0,0,0,1|1,0,0]=3 766 B12R1.50 C[C@@H](CO)Nc1cccc(c1)Br e12c135b7138e7c817f229b4b8639d64 [0,1,0,0,0,1|2,0,0]=4 767 B12R1.50 C[C@@H](CO)Nc1cccc(c1)Cl b6aa20cbf8f24853667a022c40a8057e [0,1,0,0,0,1|2,0,0]=4 768 B12R1.50 C[C@@H](CO)Nc1cccc(c1)F c93de07c16abf3a73ffced01d0a7bfc9 [0,1,0,0,0,1|2,0,0]=4 769 B12R1.50 C[C@@H](CO)Nc1cccc(c1)I 63762b133b4c8dcbd72ab2f4bdb23f98 [0,1,0,0,0,1|2,0,0]=4 770 B12R1.50 C[C@H](CO)Nc1cccc(c1)Br caa603dbf3d611872408e6a5a99c2208 [0,1,0,0,0,1|2,0,0]=4 771 B12R1.50 C[C@H](CO)Nc1cccc(c1)Cl d80340fe9b92189a6899bc5d360147f0 [0,1,0,0,0,1|2,0,0]=4 772 B12R1.50 C[C@H](CO)Nc1cccc(c1)F 8c3d08c899d303dc21916719c2ded833 [0,1,0,0,0,1|2,0,0]=4 773 B12R1.50 C[C@H](CO)Nc1cccc(c1)I e332daa1e085ab96b6afa02650eceef0 [0,1,0,0,0,1|2,0,0]=4 774 B12R1.50 Cc1cccc(c1)NC(C)CO c23f82ac252bf3ee5441826bde19dba5 [0,1,0,0,0,1|2,0,0]=4 775 B12R1.50 Cc1cccc(c1)N[C@@H](C)CO b575cd99ac56e48b2608cbaccd98fff4 [0,1,0,0,0,1|2,0,0]=4 776 B12R1.50 Cc1cccc(c1)N[C@H](C)CO 8c38b6b94b7f7840ff18f43638e4f1b0 [0,1,0,0,0,1|2,0,0]=4 777 B12R1.118 C=C[C@@H](CO)Nc1ccccc1 1f3da2dad53331dc21e491e025398272 [0,1,0,0,0,1|0,0,2]=4 778 B12R1.118 CCC(C=O)Nc1ccccc1 8973b461ada5e90cb6534721bdd5a0a6 [0,1,0,0,0,1|0,0,1]=3 779 B12R1.118 CCC(C=O)Nc1ccccn1 2aca9ef2fc34cfed6c8d70ea766b8b1c [0,1,0,0,0,1|1,0,1]=4 780 B12R1.118 CCC(C=O)Nc1cccnc1 f2a28a3fdb0a09f8d451d38ec59b2c1d [0,1,0,0,0,1|1,0,1]=4 781 B12R1.118 CCC(C=O)Nc1ccncc1 d2ebcd5e369abce24181da19b91725a5 [0,1,0,0,0,1|1,0,1]=4 782 B12R1.118 CCC(C=O)Oc1ccccn1 c237ce22bb3dec565cc31430edd943de [0,1,0,0,0,1|1,0,1]=4 783 B12R1.118 CCC(C=O)Oc1cccnc1 c02ea9913f6b45411de0698448d19ec4 [0,1,0,0,0,1|1,0,1]=4 784 B12R1.118 CCC(C=O)Oc1ccncc1 000035e8d103b4bb731e93fa27796c45 [0,1,0,0,0,1|1,0,1]=4 785 B12R1.118 CCC(CC)Nc1ccccc1 62a5bbda4663c06f44e205dbfccb7cfa [0,1,0,0,0,1|1,0,0]=3 786 B12R1.118 CCC(CC)Nc1ccccn1 f49e7f296a5962a94c0c5ee1a9955043 [0,1,0,0,0,1|2,0,0]=4 787 B12R1.118 CCC(CC)Nc1cccnc1 9d074fe2d03393afaa8a1f416d06c27c [0,1,0,0,0,1|2,0,0]=4 788 B12R1.118 CCC(CC)Nc1ccncc1 e92afb62d5152fa888d91281ef827321 [0,1,0,0,0,1|2,0,0]=4 789 B12R1.118 CCC(CC)Oc1ccccn1 f5c416138eaed35a265a3babf42f340b [0,1,0,0,0,1|2,0,0]=4 790 B12R1.118 CCC(CC)Oc1cccnc1 8b905fcc9a0926c38970cda9cd15fb7e [0,1,0,0,0,1|2,0,0]=4 791 B12R1.118 CCC(CC)Oc1ccncc1 8468a86458c76ca321270d5385e3c580 [0,1,0,0,0,1|2,0,0]=4 792 B12R1.118 CCC(CO)Nc1ccccc1 4bbd0090e2c789b85e6c79fc920a972e [0,1,0,0,0,1|0,0,0]=2 793 B12R1.118 CCC(CO)Nc1ccccn1 2181b4d61311c9e330e2e4a095a20d89 [0,1,0,0,0,1|1,0,0]=3 794 B12R1.118 CCC(CO)Nc1cccnc1 ab690edd9c53b8ad72b7a2f868d4b9cb [0,1,0,0,0,1|1,0,0]=3 795 B12R1.118 CCC(CO)Nc1cccnn1 aa4f1b4b3490a41b5e78e6882708cb10 [0,1,0,0,0,1|2,0,0]=4 796 B12R1.118 CCC(CO)Nc1ccncc1 8aab547416d07b24f651f076f2925f6a [0,1,0,0,0,1|1,0,0]=3 797 B12R1.118 CCC(CO)Nc1ccncn1 c4491644b60578afbe910ba96ee5fa8f [0,1,0,0,0,1|2,0,0]=4 798 B12R1.118 CCC(CO)Nc1ccnnc1 11a93da1e0d364cbf598fd284f8f6b80 [0,1,0,0,0,1|2,0,0]=4 799 B12R1.118 CCC(CO)Nc1cnccn1 4afe7a15c995405daaa15ad7386ebd34 [0,1,0,0,0,1|2,0,0]=4 800 B12R1.118 CCC(CO)Nc1cncnc1 65e33ee9da31f07310572366f01e5dfd [0,1,0,0,0,1|2,0,0]=4 801 B12R1.118 CCC(CO)Nc1ncccn1 2f69733dcd97b6dbe736debd8a2681ac [0,1,0,0,0,1|2,0,0]=4 802 B12R1.118 CCN(C=O)Cc1ccccc1 05bd4b36907bafd365c275012bc499e0 [0,1,0,0,0,1|1,0,1]=4 803 B12R1.118 CCN(CO)Cc1ccccn1 8e76f32a0ced6146e44e26ac9887661d [0,1,0,0,0,1|2,0,0]=4 804 B12R1.118 CCN(CO)Cc1cccnc1 7dd669529cc1c96070ab5b5cfa08c387 [0,1,0,0,0,1|2,0,0]=4 805 B12R1.118 CCN(CO)Cc1ccncc1 2a23d90d5b8673791ee931cd8c6c21b3 [0,1,0,0,0,1|2,0,0]=4 806 B12R1.118 CC[C@@H](CO)Nc1ccccc1 4e6d1044dff6b69bba19855888009bcf [0,1,0,0,0,1|0,0,0]=2 807 B12R1.118 CC[C@@H](CO)Nc1cccnc1 f05c3f8431351c797a7cca5153cca11c [0,1,0,0,0,1|1,0,0]=3 808 B12R1.118 CC[C@H](CO)Nc1ccccc1 6e84965dfbcccf2d9d399d53a4428cff [0,1,0,0,0,1|0,0,0]=2 809 B12R1.118 CC[C@H](CO)Nc1cccnc1 7165d8fd3e622da53cd91836a6210b4c [0,1,0,0,0,1|1,0,0]=3 810 B12R1.118 OCC(CO)Nc1ccccc1 c6d188a322ff4dea1d0ad1799b765f49 [0,1,0,0,0,1|1,0,0]=3 811 B12R1.118 OCC(CO)Nc1ccccn1 f8671496cdd0b9ae31b2e86215c96510 [0,1,0,0,0,1|2,0,0]=4 812 B12R1.118 OCC(CO)Nc1cccnc1 1c3e06491a2ecd20c68a2060ccf00f2b [0,1,0,0,0,1|2,0,0]=4 813 B12R1.118 OCC(CO)Nc1ccncc1 17073c744f98e1922427e8132e3d47d2 [0,1,0,0,0,1|2,0,0]=4 814 B12R1.118 OCC(CO)Oc1ccccn1 cb1ffcdcac9e8fd5fe395e88ed50b040 [0,1,0,0,0,1|2,0,0]=4 815 B12R1.118 OCC(CO)Oc1cccnc1 56f2e8a9cfa225dc92bf293f1fc04855 [0,1,0,0,0,1|2,0,0]=4 816 B12R1.118 OCC(CO)Oc1ccncc1 9d0e5a08e7dc9069f5893f93c23d12e0 [0,1,0,0,0,1|2,0,0]=4 817 B12R1.194 CC(C)(CF)Nc1ccccc1 b6beb5eadcdeb337f0158c8ad0d8b555 [0,1,0,0,0,1|2,0,0]=4 818 B12R1.194 CC(C)(CO)Nc1ccccc1 30670d11326256bdda695fca46d82a64 [0,1,0,0,0,1|2,0,0]=4 819 B12R1.194 CCC(C)(C)Nc1ccccc1 17a09be9f9cdec5da28d382a8493f798 [0,1,0,0,0,1|1,0,0]=3 820 B12R1.194 CCC(C)(C)Nc1cccnc1 8aca00507b17dbddb1ede8afa8bba163 [0,1,0,0,0,1|2,0,0]=4 821 B12R1.371 CC(CO)Nc1ccccc1F ab9abc3c7ad63ce6e7fb98c9c85f3edf [0,1,0,0,0,1|2,0,0]=4 822 B12R1.371 CC(CO)Nc1ccccc1I 8db44cdfb97be4fe1b6791bb92fd08be [0,1,0,0,0,1|2,0,0]=4 823 B12R1.371 CCC(=O)Nc1ccccc1Br 768a716ead2b99051a9616fb85a27937 [0,1,0,0,0,1|0,0,2]=4 824 B12R1.371 CCC(=O)Nc1ccccc1C 763387b0d89cfb82380d583a59f5a861 [0,1,0,0,0,1|0,0,2]=4 825 B12R1.371 CCC(=O)Nc1ccccc1Cl ef4576d4235b2be875b9c3bf387d3b96 [0,1,0,0,0,1|0,0,2]=4 826 B12R1.371 CCC(=O)Nc1ccccc1F faf1e60044081b206d26fc7146a1b9c6 [0,1,0,0,0,1|0,0,2]=4 827 B12R1.371 CCC(=O)Nc1ccccc1I 6553c7d43a126e629b0ccc3f1bd07b65 [0,1,0,0,0,1|0,0,2]=4 828 B12R1.371 CCC(=O)Nc1ccccc1O 6ec8129c7301f0a0a7cf43011d0730d5 [0,1,0,0,0,1|0,0,2]=4 829 B12R1.371 CCC(=O)Nc1ccccc1S 8fc39cf448fefd509c3c8b231a29d58a [0,1,0,0,0,1|0,0,2]=4 830 B12R1.371 CCC(C)Nc1c[nH]ccc1=O c2bd7b571a74a6d57ce8d60d072a5190 [0,1,0,0,0,1|2,0,0]=4 831 B12R1.371 CCC(C)Nc1ccc[nH]c1=S 368de1ca7dc374d001ee6648d4f77fac [0,1,0,0,0,1|2,0,0]=4 832 B12R1.371 CCC(C)Nc1cccc[n+]1[O-] 96d26cc8fc0c47ab85568b0a768d417f [0,1,0,0,0,1|2,0,0]=4 833 B12R1.371 CCC(C)Nc1ccccc1Cl de4bf505a5bbedeb31e8a75347207b67 [0,1,0,0,0,1|1,0,0]=3 834 B12R1.371 CCC(C)Nc1ccccc1I cd67cc2bf7f4f6d6c61e47b710e1bb55 [0,1,0,0,0,1|1,0,0]=3 835 B12R1.371 CCC(C)Nc1ccccc1S ecd9db41f3061f567fc7308b02ebdeed [0,1,0,0,0,1|1,0,0]=3 836 B12R1.371 CCC(C)Nc1cccnc1Br 05665b32dd64c7ae5c5d1b204615ea1a [0,1,0,0,0,1|2,0,0]=4 837 B12R1.371 CCC(C)Nc1cccnc1C 69bdadafe895488d0a0a00a5113c4ce5 [0,1,0,0,0,1|2,0,0]=4 838 B12R1.371 CCC(C)Nc1cccnc1Cl addbd46ce2d8bf652236f6af07791860 [0,1,0,0,0,1|2,0,0]=4 839 B12R1.371 CCC(C)Nc1cccnc1F 86776cb828a8411f498af86bf48f5666 [0,1,0,0,0,1|2,0,0]=4 840 B12R1.371 CCC(C)Nc1cccnc1I c824747a50c87a7afb1d272abc64c318 [0,1,0,0,0,1|2,0,0]=4 841 B12R1.371 CCC(C)Nc1ccncc1Br b1b27e66e3a65977875648c66a1b2b34 [0,1,0,0,0,1|2,0,0]=4 842 B12R1.371 CCC(C)Nc1ccncc1C 5391ae7fc3e7ad06c5ddf7dd024dfab1 [0,1,0,0,0,1|2,0,0]=4 843 B12R1.371 CCC(C)Nc1ccncc1Cl deb250393e15963a63fb6432f633cc5d [0,1,0,0,0,1|2,0,0]=4 844 B12R1.371 CCC(C)Nc1ccncc1F 8ff9baa31fbe175f81c58342169fa074 [0,1,0,0,0,1|2,0,0]=4 845 B12R1.371 CCC(C)Nc1ccncc1I 20a34ef54425659fdd36a0563b664900 [0,1,0,0,0,1|2,0,0]=4 846 B12R1.371 CCC(C)Nc1cnccc1Br be5c526def45f85b78701f9c364d6941 [0,1,0,0,0,1|2,0,0]=4 847 B12R1.371 CCC(C)Nc1cnccc1C d27518f8439192787b0708e4ab3d13c2 [0,1,0,0,0,1|2,0,0]=4 848 B12R1.371 CCC(C)Nc1cnccc1Cl e90478fa0b65ce55c439c0b1c8006b30 [0,1,0,0,0,1|2,0,0]=4 849 B12R1.371 CCC(C)Nc1cnccc1F 6ac19dd3e4360bff6b8ca24903e41a4d [0,1,0,0,0,1|2,0,0]=4 850 B12R1.371 CCC(C)Nc1cnccc1I aff4ff6560012d41a1561eb3ff7ddc09 [0,1,0,0,0,1|2,0,0]=4 851 B12R1.371 CCC(C)Nc1cnccc1S 875cdd65e289b4072dc22abcd6eb587d [0,1,0,0,0,1|2,0,0]=4 852 B12R1.371 CCC(C)Nc1ncccc1Br fbb051f4e66e0b9d73cb5f6e2897342d [0,1,0,0,0,1|2,0,0]=4 853 B12R1.371 CCC(C)Nc1ncccc1C 6bda26dd06cca79da4887c577174f95d [0,1,0,0,0,1|2,0,0]=4 854 B12R1.371 CCC(C)Nc1ncccc1Cl f0b62e4fb467f95ad24224f169682733 [0,1,0,0,0,1|2,0,0]=4 855 B12R1.371 CCC(C)Nc1ncccc1F b039468387a6c53ec865f9b4e39c3865 [0,1,0,0,0,1|2,0,0]=4 856 B12R1.371 CCC(C)Nc1ncccc1I b6fdb25a4fdb352b2b974198fb23da2a [0,1,0,0,0,1|2,0,0]=4 857 B12R1.371 CCC(C)Oc1ccc[nH]c1=S 1edb3b7c94c955c0f6bb6b8e37c06528 [0,1,0,0,0,1|2,0,0]=4 858 B12R1.371 CCC(C)Oc1cccc[n+]1[O-] 194a2e1d3ccdaec10afca683ac5ba809 [0,1,0,0,0,1|2,0,0]=4 859 B12R1.371 CCC(C)Oc1ccccc1C a9f8caaebcb535b77e0f35c5ea074362 [0,1,0,0,0,1|1,0,0]=3 860 B12R1.371 CCC(C)Oc1ccccc1Cl 6f598d947434a44e209cdf34b797bf91 [0,1,0,0,0,1|1,0,0]=3 861 B12R1.371 CCC(C)Oc1ccccc1F b533bd9cc207ae92fa5d1dd0e1595cbc [0,1,0,0,0,1|1,0,0]=3 862 B12R1.371 CCC(C)Oc1ccccc1I 35e6ee1db321949fbb0c54358fea5b12 [0,1,0,0,0,1|1,0,0]=3 863 B12R1.371 CCC(C)Oc1ccccc1S 430f323aec7886fe8f11d201c4780b84 [0,1,0,0,0,1|1,0,0]=3 864 B12R1.371 CCC(C)Oc1cccnc1Br 17ade39b89ae2e472cfddf9f69d94e5d [0,1,0,0,0,1|2,0,0]=4 865 B12R1.371 CCC(C)Oc1cccnc1C fe15051a6bd5aaedc8a649111b9ec1b4 [0,1,0,0,0,1|2,0,0]=4 866 B12R1.371 CCC(C)Oc1cccnc1Cl e999631a6145695341485be94bff93f5 [0,1,0,0,0,1|2,0,0]=4 867 B12R1.371 CCC(C)Oc1cccnc1F e467cf8b9fbd5f0e2071fb47ae22bab6 [0,1,0,0,0,1|2,0,0]=4 868 B12R1.371 CCC(C)Oc1cccnc1I 74d7b0aa04aed7e7e3f4b2f7bbe48cec [0,1,0,0,0,1|2,0,0]=4 869 B12R1.371 CCC(C)Oc1cccoc1=O 8ab19b07cd3846476105eb33401c096c [0,1,0,0,0,1|2,0,0]=4 870 B12R1.371 CCC(C)Oc1ccncc1Br 3471e7677a4ad5a90d226d132f116282 [0,1,0,0,0,1|2,0,0]=4 871 B12R1.371 CCC(C)Oc1ccncc1C a6f6771a98fb0e0a078f2555eff60847 [0,1,0,0,0,1|2,0,0]=4 872 B12R1.371 CCC(C)Oc1ccncc1Cl b57d163e5782cba0f851b2a2f07bb9a4 [0,1,0,0,0,1|2,0,0]=4 873 B12R1.371 CCC(C)Oc1ccncc1F 26ce4cbb1e8bb5640da39edb0460b546 [0,1,0,0,0,1|2,0,0]=4 874 B12R1.371 CCC(C)Oc1cnccc1Br 54a4b999a8d7696e8efe64135f2ef53b [0,1,0,0,0,1|2,0,0]=4 875 B12R1.371 CCC(C)Oc1cnccc1C 272e47027479d9121397120e6585370c [0,1,0,0,0,1|2,0,0]=4 876 B12R1.371 CCC(C)Oc1cnccc1Cl d71a4703f9a17a848b4eb5ffe8ed1db1 [0,1,0,0,0,1|2,0,0]=4 877 B12R1.371 CCC(C)Oc1cnccc1F f55bcc4d7fe5dc38aaf8f86596f07c4f [0,1,0,0,0,1|2,0,0]=4 878 B12R1.371 CCC(C)Oc1cnccc1I dfb1da60b3ddb7bdb30209d05ea27899 [0,1,0,0,0,1|2,0,0]=4 879 B12R1.371 CCC(C)Oc1coccc1=O e3af58d878f2178e5a2470ad6660cfa0 [0,1,0,0,0,1|2,0,0]=4 880 B12R1.371 CCC(C)Oc1ncccc1Br b6613f73c3384f08e0b3850d4b67c10a [0,1,0,0,0,1|2,0,0]=4 881 B12R1.371 CCC(C)Oc1ncccc1C 0b77a9663b4b9ad1dcca90b8ca41ba15 [0,1,0,0,0,1|2,0,0]=4 882 B12R1.371 CCC(C)Oc1ncccc1Cl fd2b11af8f8930f31b50edcdf7c67969 [0,1,0,0,0,1|2,0,0]=4 883 B12R1.371 CCC(C)Oc1ncccc1F 88fd04e0122f2adda4feb1271f6b1dc0 [0,1,0,0,0,1|2,0,0]=4 884 B12R1.371 CCC(C)On1ccccc1=N aaf1ad408274c9213c3f43eaa888f299 [0,1,0,0,0,1|2,0,0]=4 885 B12R1.371 CCC(C)On1ccccc1=O e3a03f15a88cd1b8fe5c2c7671b9e4c9 [0,1,0,0,0,1|2,0,0]=4 886 B12R1.371 CCC(C)On1ccccc1=S 058ebf3627eb4546510da078560f6ff4 [0,1,0,0,0,1|2,0,0]=4 887 B12R1.371 CCN(C)Cc1ccccc1Cl e51c361dfc91d5636e1e5a4513a1b110 [0,1,0,0,0,1|2,0,0]=4 888 B12R1.371 CCN(C)Cc1ccccc1F 7c051a9a85266df48aaa13dcfa2254cd [0,1,0,0,0,1|2,0,0]=4 889 B12R1.371 CCN(C)Cc1ccccc1I 83032bc0e16de05a0971afc60500c87f [0,1,0,0,0,1|2,0,0]=4 890 B12R1.371 CC[C@@H](C)Nc1c[nH]ccc1=O 31d6009ee69a5222219443c4bc01d780 [0,1,0,0,0,1|2,0,0]=4 891 B12R1.371 CC[C@H](C)Nc1c[nH]ccc1=O f420a58c38eb5041c85c1af5028e4024 [0,1,0,0,0,1|2,0,0]=4 892 B12R1.371 C[C@@H](CO)Nc1ccccc1F bc7a17b0246c7bfaa6b92e68ea47eff7 [0,1,0,0,0,1|2,0,0]=4 893 B12R1.371 C[C@@H](CO)Nc1ccccc1I 4e52463ff6b81e76a206c779e1fbf0a0 [0,1,0,0,0,1|2,0,0]=4 894 B12R1.371 C[C@H](CO)Nc1ccccc1F 636c9c06865906a75d3375bd72489d82 [0,1,0,0,0,1|2,0,0]=4 895 B12R1.371 C[C@H](CO)Nc1ccccc1I aa96d8a3924e58569f2c3ab4fed9a92f [0,1,0,0,0,1|2,0,0]=4 896 B12R1.371 Cc1ccccc1NC(C)CO d135b508699b5774eadc8e5bb668b2c9 [0,1,0,0,0,1|2,0,0]=4 897 B12R1.371 Cc1ccccc1N[C@@H](C)CO ca1b58b1899397ab399e5320d36d8569 [0,1,0,0,0,1|2,0,0]=4 898 B12R1.371 Cc1ccccc1N[C@H](C)CO e0d94c7afbeca89e50d0334be68e4a7b [0,1,0,0,0,1|2,0,0]=4 899 B12R1.39 CC(C)(NCF)c1ccccc1 edbd04c0a40b008dee076ea6123b2a3a [0,2,0,0,0,0|2,0,0]=4 900 B12R1.39 CC(C)(NCO)c1ccccc1 fb4c7e5860e9a5887317ede564ff1468 [0,2,0,0,0,0|2,0,0]=4 901 B12R1.39 CC(C)(OCF)c1ccccc1 4b3fad123409f56f69ec037047272502 [0,2,0,0,0,0|2,0,0]=4 902 B12R1.39 CCNC(C)(C)c1ccccc1 2e6683f6142d34cb9ce8cfe15a82fe01 [0,2,0,0,0,0|1,0,0]=3 903 B12R1.39 CCNC(C)(C)c1ccccn1 4f6e0d079cc2a9cc0f86d96102abf7e8 [0,2,0,0,0,0|2,0,0]=4 904 B12R1.39 CCNC(C)(C)c1cccnc1 b4e4ae1c20585deb8ffb975d2bc492ed [0,2,0,0,0,0|2,0,0]=4 905 B12R1.39 CCNC(C)(C)c1ccncc1 312eb57bb5eb67467275597e9da26aa8 [0,2,0,0,0,0|2,0,0]=4 906 B12R1.39 CCOC(C)(C)c1ccccc1 5bcc79794e808b87e35ba44c1bb3e6b7 [0,2,0,0,0,0|1,0,0]=3 907 B12R1.39 CCOC(C)(C)c1ccccn1 797ca043724e54c07f165e71f181676c [0,2,0,0,0,0|2,0,0]=4 908 B12R1.39 CCOC(C)(C)c1cccnc1 f88c29388ee67774182c76accb219923 [0,2,0,0,0,0|2,0,0]=4 909 B12R1.39 CCOC(C)(C)c1ccncc1 d72f4ee0e30cb7d699c48c3671419299 [0,2,0,0,0,0|2,0,0]=4 910 B12R1.3 C#CC(OCC)c1ccccc1 c9e222a07b1334c71e039de024517831 [0,2,0,0,0,0|1,0,0]=3 911 B12R1.3 C#CC(OCC)c1ccccn1 170918ff09a3c87415cb6c1fc061e643 [0,2,0,0,0,0|2,0,0]=4 912 B12R1.3 C#CC(OCC)c1ccncc1 cdbf8744c43aef348457409185486eae [0,2,0,0,0,0|2,0,0]=4 913 B12R1.3 C#CC(OCF)c1ccccc1 2fa7e76e82117aff64b2ec00c6359677 [0,2,0,0,0,0|0,0,2]=4 914 B12R1.3 C#CCN(CC)c1ccccc1 0e69b4312a2da0ecbf19f904c88229b5 [0,2,0,0,0,0|2,0,0]=4 915 B12R1.3 C#CCN(CO)c1ccccc1 b46bd69fab400d8cd80b42a43cead3cb [0,2,0,0,0,0|1,0,1]=4 916 B12R1.3 C#C[C@@H](OCC)c1ccccc1 ab36c1d59184fd317cb3013d853a5671 [0,2,0,0,0,0|1,0,0]=3 917 B12R1.3 C#C[C@@H](OCF)c1ccccc1 c3e68c5845d9335e4c9c4bd259697e43 [0,2,0,0,0,0|0,0,2]=4 918 B12R1.3 C#C[C@H](OCC)c1ccccc1 1101319a2e49d14a6eed62e76a43a592 [0,2,0,0,0,0|1,0,0]=3 919 B12R1.3 C#C[C@H](OCF)c1ccccc1 7ab26044a9cbad59f1b486eaa66d832b [0,2,0,0,0,0|0,0,2]=4 920 B12R1.3 C=CC(NCC)c1ccccc1 7683e9d7b82c3281238f04ed1a75e97e [0,2,0,0,0,0|1,0,0]=3 921 B12R1.3 C=CC(NCF)c1ccccc1 10ae09b5ad9c11712c1e0d307f5d7811 [0,2,0,0,0,0|2,0,0]=4 922 B12R1.3 C=CC(NCO)c1ccccc1 059bf4cd23c9defe529348afd9ac29e4 [0,2,0,0,0,0|0,0,2]=4 923 B12R1.3 C=CC(OCC)c1ccccc1 6bde42162b5d4c427a68bf4a10c8d095 [0,2,0,0,0,0|1,0,0]=3 924 B12R1.3 C=CC(OCF)c1ccccc1 5f73c1e6e0711249ad6cf93a7f337460 [0,2,0,0,0,0|0,0,2]=4 925 B12R1.3 C=CCN(CC)c1ccccc1 2bf94e98a6e871d2b0d4e7e5382e5a7a [0,2,0,0,0,0|2,0,0]=4 926 B12R1.3 C=CCN(CO)c1ccccc1 4e766be109ae162891a851d1f2c36317 [0,2,0,0,0,0|1,0,1]=4 927 B12R1.3 C=C[C@@H](NCC)c1ccccc1 ce0bccab84f78d550cd5d29e0af99881 [0,2,0,0,0,0|1,0,0]=3 928 B12R1.3 C=C[C@@H](NCF)c1ccccc1 87007f2d58a77127e300760fa39eaa08 [0,2,0,0,0,0|2,0,0]=4 929 B12R1.3 C=C[C@@H](NCO)c1ccccc1 0443a692877053ff1e1a5a26e535fa7f [0,2,0,0,0,0|0,0,2]=4 930 B12R1.3 C=C[C@H](NCC)c1ccccc1 378688aa1f70c0c46a994c0dd710e214 [0,2,0,0,0,0|1,0,0]=3 931 B12R1.3 C=C[C@H](NCF)c1ccccc1 4fe754d8498c752ef4b3c99157f3177d [0,2,0,0,0,0|2,0,0]=4 932 B12R1.3 C=C[C@H](NCO)c1ccccc1 971121604f82db695e04bc0173604a06 [0,2,0,0,0,0|0,0,2]=4 933 B12R1.3 CCC(NC#N)c1ccccc1 0a2ef7e390ad9e10cb2f8cc5101ed59a [0,2,0,0,0,0|1,0,0]=3 934 B12R1.3 CCC(NC=O)c1ccccc1 f35c5a1e32ab8921cb0fd5e08b4f1f33 [0,2,0,0,0,0|0,0,1]=3 935 B12R1.3 CCC(NC=O)c1ccccn1 6272c75f1bbad2ca3d2c655b19fffda8 [0,2,0,0,0,0|1,0,1]=4 936 B12R1.3 CCC(NC=O)c1cccnc1 87d0fe1dfb10c405e4ac398b90932d21 [0,2,0,0,0,0|1,0,1]=4 937 B12R1.3 CCC(NC=O)c1ccncc1 74d90ea3e225747ca3f33c9b625aca75 [0,2,0,0,0,0|1,0,1]=4 938 B12R1.3 CCC(NCF)c1ccccc1 ed86f14698723f0d42b213b4b8bf0e21 [0,2,0,0,0,0|1,0,0]=3 939 B12R1.3 CCC(NCF)c1ccccn1 029363a63cdc73d43d382c017127f3b2 [0,2,0,0,0,0|2,0,0]=4 940 B12R1.3 CCC(NCF)c1cccnc1 050a1d083b10f03fb450419c81be8ae1 [0,2,0,0,0,0|2,0,0]=4 941 B12R1.3 CCC(NCF)c1ccncc1 9bf5261489e42a982668f9a02bc785b3 [0,2,0,0,0,0|2,0,0]=4 942 B12R1.3 CCC(NCO)c1ccccc1 162ffd02e2794d38a2def38bde94ce3c [0,2,0,0,0,0|0,0,0]=2 943 B12R1.3 CCC(NCO)c1ccccn1 53926739b5891202cd48ad9d7851078d [0,2,0,0,0,0|1,0,0]=3 944 B12R1.3 CCC(NCO)c1cccnc1 fc7ff5ecddc71c25db8fb93cf06fa985 [0,2,0,0,0,0|1,0,0]=3 945 B12R1.3 CCC(NCO)c1ccncc1 84ba64a663164f99367cb5a402dca926 [0,2,0,0,0,0|1,0,0]=3 946 B12R1.3 CCC(NCO)c1cnccn1 6f66a4033f9d71c1ff8efd15a18cbc54 [0,2,0,0,0,0|2,0,0]=4 947 B12R1.3 CCC(NCO)c1ncccn1 d38cc00465662b3961dc5e2d25525ff3 [0,2,0,0,0,0|2,0,0]=4 948 B12R1.3 CCC(OCF)c1ccccc1 5b485d5efcd72f947d8121a70246c978 [0,2,0,0,0,0|0,0,0]=2 949 B12R1.3 CCCN(C#N)c1ccccc1 cfc28cb4e183f808746da0f8e7595ff2 [0,2,0,0,0,0|2,0,0]=4 950 B12R1.3 CCCN(C=O)c1ccccc1 dd84a45c645f807d0c332ade8b13b5fc [0,2,0,0,0,0|1,0,1]=4 951 B12R1.3 CCCN(CC)c1ccccc1 5ea19e4bc735ea7f3069a2089b17f98f [0,2,0,0,0,0|2,0,0]=4 952 B12R1.3 CCCN(CF)c1ccccc1 09c2a5c50e06a77cf23cd7a11292cbb8 [0,2,0,0,0,0|2,0,0]=4 953 B12R1.3 CCCN(CO)c1ccccc1 332945179d143a8b0cba1e51c0b9da9c [0,2,0,0,0,0|1,0,0]=3 954 B12R1.3 CCN(CC#N)c1ccccc1 0f7d3e664fdae693d0242f80ad595317 [0,2,0,0,0,0|2,0,0]=4 955 B12R1.3 CCN(CC=O)c1ccccc1 009c4a484e3ac4577aa247993a08c21a [0,2,0,0,0,0|1,0,1]=4 956 B12R1.3 CCN(CCCl)c1ccccc1 47212d52e7418dc451bee3761dbb1919 [0,2,0,0,0,0|2,0,0]=4 957 B12R1.3 CCN(CCF)c1ccccc1 1f9535ebcbb04abfa8a63a91ce467760 [0,2,0,0,0,0|2,0,0]=4 958 B12R1.3 CCN(CCO)c1ccccc1 1d2e59911dbe6dcca81bb0f2ddfcbc0f [0,2,0,0,0,0|1,0,0]=3 959 B12R1.3 CCN(CCO)c1cccnc1 15d2e2a9eb2fa9a73e9e15ccc6ccf896 [0,2,0,0,0,0|2,0,0]=4 960 B12R1.3 CCN(CCO)c1ccncc1 0a62093099f576956c744a5c1509f816 [0,2,0,0,0,0|2,0,0]=4 961 B12R1.3 CCN(CCS)c1ccccc1 44ac60c76caf5f87f5e7ad1379af23fc [0,2,0,0,0,0|1,1,0]=4 962 B12R1.3 CCN(COC)c1ccccn1 0b1b78db80afb2e10943f7ad289f1450 [0,2,0,0,0,0|2,0,0]=4 963 B12R1.3 CCN(COC)c1cccnc1 799190509faf878a529d2c7126b2c660 [0,2,0,0,0,0|2,0,0]=4 964 B12R1.3 CCN(COC)c1ccncc1 dd09e0c2e668bd33e2c11f3e62f92252 [0,2,0,0,0,0|2,0,0]=4 965 B12R1.3 CCNC(C#N)c1ccccc1 9c3c1340c48a32c7b7c4df075ca3e927 [0,2,0,0,0,0|1,0,0]=3 966 B12R1.3 CCNC(C#N)c1cccnc1 eb33b2d8861cc78a1d113102a96926d6 [0,2,0,0,0,0|2,0,0]=4 967 B12R1.3 CCNC(CC)c1ccccc1 545af735d01bd949c3ac8c0f705df1c5 [0,2,0,0,0,0|1,0,0]=3 968 B12R1.3 CCNC(CC)c1ccccn1 d1e9b5de2ccb0e4722c0772533316408 [0,2,0,0,0,0|2,0,0]=4 969 B12R1.3 CCNC(CC)c1cccnc1 183e03f7f6827f9f25dce9a8d81e707c [0,2,0,0,0,0|2,0,0]=4 970 B12R1.3 CCNC(CC)c1ccncc1 677ee2285d647e3f30ca8e6c526afe68 [0,2,0,0,0,0|2,0,0]=4 971 B12R1.3 CCNC(CO)c1ccccc1 614d7335d28e1b76b7f75c607857ca9e [0,2,0,0,0,0|0,0,0]=2 972 B12R1.3 CCNC(CO)c1ccccn1 7c75e7d21cbf3f1bb68a797af059f8a4 [0,2,0,0,0,0|1,0,0]=3 973 B12R1.3 CCNC(CO)c1cccnc1 1611098aa815e5f3bafc4941a732cc5c [0,2,0,0,0,0|1,0,0]=3 974 B12R1.3 CCNC(CO)c1ccncc1 fa7feecfc3f2ec48a823921b5334bdd1 [0,2,0,0,0,0|1,0,0]=3 975 B12R1.3 CCN[C@@H](CC)c1ccccc1 04d3b6bff3d1780d8e4393fe160a01a5 [0,2,0,0,0,0|1,0,0]=3 976 B12R1.3 CCN[C@@H](CC)c1ccccn1 c2e742d207a0e06763cd9384a5387e76 [0,2,0,0,0,0|2,0,0]=4 977 B12R1.3 CCN[C@@H](CC)c1ccncc1 ec2d00a048bef655edcca69146cce022 [0,2,0,0,0,0|2,0,0]=4 978 B12R1.3 CCN[C@@H](CF)c1ccccc1 ab49fd1b2fc91a1fdd527edfe33c19df [0,2,0,0,0,0|1,0,0]=3 979 B12R1.3 CCN[C@@H](CO)c1ccccc1 9d47715e51326d3f123529a31c888612 [0,2,0,0,0,0|0,0,0]=2 980 B12R1.3 CCN[C@@H](CO)c1cccnc1 b65190046efd29122e4a14e052d5a8a3 [0,2,0,0,0,0|1,0,0]=3 981 B12R1.3 CCN[C@H](CC)c1ccccc1 caae78d6c102af5eac580f83fa54bc70 [0,2,0,0,0,0|1,0,0]=3 982 B12R1.3 CCN[C@H](CC)c1ccccn1 2dbd84955b60e7af57981642eed8719d [0,2,0,0,0,0|2,0,0]=4 983 B12R1.3 CCN[C@H](CO)c1ccccc1 73c9e00984005addb2e89adfbc35e5fb [0,2,0,0,0,0|0,0,0]=2 984 B12R1.3 CCN[C@H](CO)c1cccnc1 38d2f9781b2db206eb43cce912c664e2 [0,2,0,0,0,0|1,0,0]=3 985 B12R1.3 CCN[C@H](CO)c1ccncc1 b2ba922e90c1ed40b231b487e8a29113 [0,2,0,0,0,0|1,0,0]=3 986 B12R1.3 CCOC(C#N)c1ccccc1 805d27e9f4caf999dbaee63bd249473f [0,2,0,0,0,0|1,0,0]=3 987 B12R1.3 CCOC(C#N)c1cccnc1 3523c3ce9970c59f6dd43d4c2635e7bb [0,2,0,0,0,0|2,0,0]=4 988 B12R1.3 CCOC(CC)c1ccccc1 1d12b3cd8d8b35a196d78ca3c83b16b1 [0,2,0,0,0,0|0,0,0]=2 989 B12R1.3 CCOC(CF)c1ccccc1 bb8f7d948231fd3c336c5958e3d5f3d1 [0,2,0,0,0,0|1,0,0]=3 990 B12R1.3 CCO[C@@H](C#N)c1ccccc1 f112c502298ec98341142ef676ad95e1 [0,2,0,0,0,0|1,0,0]=3 991 B12R1.3 CCO[C@@H](CC)c1ccccc1 ff776a615b7682f9fc21ac29a916a75c [0,2,0,0,0,0|0,0,0]=2 992 B12R1.3 CCO[C@H](CC)c1ccccc1 126bf67ce7412ce4ee019181c066a374 [0,2,0,0,0,0|0,0,0]=2 993 B12R1.3 CCO[C@H](CF)c1ccccc1 7dd160e9e223f7bf78a48ff1b17e143c [0,2,0,0,0,0|1,0,0]=3 994 B12R1.3 CC[C@@H](NC=O)c1ccccc1 ebbf73246fa5e055d14598ff73ee74b9 [0,2,0,0,0,0|0,0,1]=3 995 B12R1.3 CC[C@@H](NC=O)c1ccccn1 d188ab4b3f12b054c0fc5e82fc46ec26 [0,2,0,0,0,0|1,0,1]=4 996 B12R1.3 CC[C@@H](NCF)c1ccccc1 6f08188177f28f633cba50330514db2e [0,2,0,0,0,0|1,0,0]=3 997 B12R1.3 CC[C@@H](NCF)c1ccccn1 10677ba56a17a7bcc6c8818a24cccc80 [0,2,0,0,0,0|2,0,0]=4 998 B12R1.3 CC[C@@H](NCO)c1ccccc1 5d84ee4f86f004e922a53c121ca41963 [0,2,0,0,0,0|0,0,0]=2 999 B12R1.3 CC[C@@H](NCO)c1ccccn1 a746d9485bf61fd67aed410025514b7c [0,2,0,0,0,0|1,0,0]=3 1000 B12R1.3 CC[C@@H](OCF)c1ccccc1 307e9d28b5193485842cb584d1b5a35a [0,2,0,0,0,0|0,0,0]=2 1001 B12R1.3 CC[C@H](NC=O)c1ccccc1 5b95454d2846027c7fee198531e3fbcd [0,2,0,0,0,0|0,0,1]=3 1002 B12R1.3 CC[C@H](NC=O)c1ccccn1 d55d33547e9d8ffcccd0a9a7b006993e [0,2,0,0,0,0|1,0,1]=4 1003 B12R1.3 CC[C@H](NC=O)c1ccncc1 398e2a927c5757953e0464c5541e459b [0,2,0,0,0,0|1,0,1]=4 1004 B12R1.3 CC[C@H](NCF)c1ccccc1 95804ae7f36e32213ebe989b5cd16cd1 [0,2,0,0,0,0|1,0,0]=3 1005 B12R1.3 CC[C@H](NCF)c1ccccn1 70748b7f02b35732101746d92177e009 [0,2,0,0,0,0|2,0,0]=4 1006 B12R1.3 CC[C@H](NCF)c1ccncc1 80c3d958d92a857f6bd5be5b5e586ab9 [0,2,0,0,0,0|2,0,0]=4 1007 B12R1.3 CC[C@H](NCO)c1ccccc1 d12bfbd0d9ffd6d724b18eeafaa4d3ef [0,2,0,0,0,0|0,0,0]=2 1008 B12R1.3 CC[C@H](NCO)c1ccccn1 b9aba8abff04e6b3b6b4a248c7495edb [0,2,0,0,0,0|1,0,0]=3 1009 B12R1.3 CC[C@H](NCO)c1ccncc1 ae2c34c80c5c8add8ece2f5037ec56a1 [0,2,0,0,0,0|1,0,0]=3 1010 B12R1.3 CC[C@H](OCF)c1ccccc1 ee9c70fcb8cc52ab67267daa0fab1c73 [0,2,0,0,0,0|0,0,0]=2 1011 B12R1.3 COCN(C#N)c1ccccc1 87a980f08102a0f2b1726c41ff2f41d9 [0,2,0,0,0,0|2,0,0]=4 1012 B12R1.3 CSCN(C#N)c1ccccc1 843e8ab28433f114a5d4f97acc57bead [0,2,0,0,0,0|2,0,0]=4 1013 B12R1.3 FCCN(CF)c1ccccc1 870013bb646c4a0af032a557e0685de1 [0,2,0,0,0,0|2,0,0]=4 1014 B12R1.3 FCN[C@@H](CF)c1ccccc1 7653dba4c4786a42a01c43c68d5b04cc [0,2,0,0,0,0|2,0,0]=4 1015 B12R1.3 FCOC(CF)c1ccccc1 e8fe0e4aad5be8f3a99471fec3f8b5fe [0,2,0,0,0,0|1,0,0]=3 1016 B12R1.3 FCO[C@H](CF)c1ccccc1 45e7d0441fac00b521f5a76542de6b8f [0,2,0,0,0,0|1,0,0]=3 1017 B12R1.3 N#CC(NCF)c1ccccc1 f98eb0c12cea160e611c8a32cf94e460 [0,2,0,0,0,0|2,0,0]=4 1018 B12R1.3 N#CC(NCO)c1ccccc1 3a25592688f62e9e2e1c0aa1965a0e6e [0,2,0,0,0,0|1,0,1]=4 1019 B12R1.3 N#CC(OCF)c1ccccc1 93318d744c7b2c4359f3cad01cdd3b48 [0,2,0,0,0,0|1,0,1]=4 1020 B12R1.3 N#CCN(CO)c1ccccc1 24977ebbd6adf9886104c688d69ed05d [0,2,0,0,0,0|1,0,1]=4 1021 B12R1.3 N#CN(CCF)c1ccccc1 956f8509d05da432e1fda1d4bb2778a5 [0,2,0,0,0,0|2,0,0]=4 1022 B12R1.3 N#CN(CCS)c1ccccc1 94a9440837ee40ab71780b6daad957fd [0,2,0,0,0,0|2,0,0]=4 1023 B12R1.3 N#C[C@H](OCF)c1ccccc1 29429bb9b7be9e0ca0101546c4b4678f [0,2,0,0,0,0|1,0,1]=4 1024 B12R1.3 O=CN(CCF)c1ccccc1 cecc898c90ae32628e1e22021418ffd8 [0,2,0,0,0,0|1,0,1]=4 1025 B12R1.3 O=CN(CCO)c1ccccc1 2cfbca70005c73b7e0b1c55ae8b1e4cf [0,2,0,0,0,0|1,0,1]=4 1026 B12R1.3 O=CNC(CO)c1ccccc1 eab85ec6bc58124fc0a34b21c2ead22e [0,2,0,0,0,0|1,0,1]=4 1027 B12R1.3 O=CN[C@@H](CF)c1ccccc1 0ff261ab74fd1bb17f257b9fa0c61993 [0,2,0,0,0,0|1,0,1]=4 1028 B12R1.3 O=CN[C@@H](CO)c1ccccc1 2914095b931483c8867faf13c06219d2 [0,2,0,0,0,0|1,0,1]=4 1029 B12R1.3 O=CN[C@H](CO)c1ccccc1 5b2542d815db0af521344638e8200526 [0,2,0,0,0,0|1,0,1]=4 1030 B12R1.3 OCC(NCF)c1ccccc1 eaf7d36725e016b8868e5ee278bca73b [0,2,0,0,0,0|1,0,0]=3 1031 B12R1.3 OCC(NCF)c1ccccn1 6bed1c8e3a9368f4853e51f8cd064c3a [0,2,0,0,0,0|2,0,0]=4 1032 B12R1.3 OCC(NCF)c1cccnc1 6aace6bc5258ce15f8c60ba8bc6f161a [0,2,0,0,0,0|2,0,0]=4 1033 B12R1.3 OCC(NCF)c1ccncc1 9831ff916883a70ee548ac66db65f10a [0,2,0,0,0,0|2,0,0]=4 1034 B12R1.3 OCCN(CO)c1ccccc1 ba6a8be47efc1ec0016eed9d3b57ce03 [0,2,0,0,0,0|1,0,0]=3 1035 B12R1.3 OCCN(CO)c1ccccn1 6465bd7a165184a2e4b35e2c5107ce54 [0,2,0,0,0,0|2,0,0]=4 1036 B12R1.3 OCCN(CO)c1cccnc1 d2380d7fff4f7c7b175ce3409383b91f [0,2,0,0,0,0|2,0,0]=4 1037 B12R1.3 OCCN(CO)c1ccncc1 745517d7c6d8e231cb0d7fec2e5738a2 [0,2,0,0,0,0|2,0,0]=4 1038 B12R1.3 OCN(CCF)c1ccccc1 4f6774c80c8828d0150a0cdf480a2cd9 [0,2,0,0,0,0|1,0,0]=3 1039 B12R1.3 OCNC(CO)c1ccccc1 a3cd377c07e89cc8008c00850413e2fa [0,2,0,0,0,0|1,0,0]=3 1040 B12R1.3 OCNC(CO)c1ccccn1 b142262ac051c80247b7d90b7a9ed6e5 [0,2,0,0,0,0|2,0,0]=4 1041 B12R1.3 OCNC(CO)c1cccnc1 bf33a438ee347f0f7457f3bfdd9019db [0,2,0,0,0,0|2,0,0]=4 1042 B12R1.3 OCNC(CO)c1ccncc1 c6fa817ce42068fb81b41813f4cf2a14 [0,2,0,0,0,0|2,0,0]=4 1043 B12R1.3 OCN[C@@H](CF)c1ccccc1 c48dbb78e8705925b437f732da4df883 [0,2,0,0,0,0|1,0,0]=3 1044 B12R1.3 OCN[C@@H](CO)c1ccccc1 47e5ec93da6df8b6056499be137dbc47 [0,2,0,0,0,0|1,0,0]=3 1045 B12R1.3 OCN[C@@H](CO)c1cccnc1 1851bdd345aa50a3f28742cd74bcba2d [0,2,0,0,0,0|2,0,0]=4 1046 B12R1.3 OCN[C@H](CO)c1ccccc1 a68f9bf02ebd1849a27bc4bc05035ca2 [0,2,0,0,0,0|1,0,0]=3 1047 B12R1.3 OCN[C@H](CO)c1cccnc1 2c03644208700645b39f92fc88c3ee2f [0,2,0,0,0,0|2,0,0]=4 1048 B12R1.3 OCN[C@H](CO)c1ccncc1 117751597b15fa3e6b121e4d7a330da1 [0,2,0,0,0,0|2,0,0]=4 1049 B12R1.3 OC[C@@H](NCF)c1ccccc1 0ac5a4dce202f249594459f5d60bcf4f [0,2,0,0,0,0|1,0,0]=3 1050 B12R1.3 OC[C@@H](NCF)c1cccnc1 dfa00b3c04d10d9e935f08c5987d6990 [0,2,0,0,0,0|2,0,0]=4 1051 B12R1.3 OC[C@@H](NCF)c1ccncc1 5cf4a5e239683abb48caa01e6aa63a14 [0,2,0,0,0,0|2,0,0]=4 1052 B12R1.3 OC[C@H](NCF)c1ccccc1 590aacd64b7799646c86138b9bcd2be8 [0,2,0,0,0,0|1,0,0]=3 1053 B12R1.3 OC[C@H](NCF)c1cccnc1 8634d21714f26f15203f3b2deb24c556 [0,2,0,0,0,0|2,0,0]=4 1054 B12R1.12 CCN(C=O)c1ccc(cc1)Br a298ab7cad35aa1ec2d94ab133616023 [0,2,0,0,0,0|1,0,1]=4 1055 B12R1.12 CCN(C=O)c1ccc(cc1)C eaf836ea6b842ec93e8182af29d7c16a [0,2,0,0,0,0|1,0,1]=4 1056 B12R1.12 CCN(C=O)c1ccc(cc1)Cl 6d7f2c41f258ac2893043fece93c0214 [0,2,0,0,0,0|1,0,1]=4 1057 B12R1.12 CCN(C=O)c1ccc(cc1)F 2859b23023e695a7ae2c4fbb44ca5434 [0,2,0,0,0,0|1,0,1]=4 1058 B12R1.12 CCN(C=O)c1ccc(cc1)O d72c28d8849a639167bd91dd366b00c8 [0,2,0,0,0,0|1,0,1]=4 1059 B12R1.12 CCN(CC)c1ccc(cc1)C c612c057fef47b52c489959a7dfea2da [0,2,0,0,0,0|2,0,0]=4 1060 B12R1.12 CCN(CC)c1ccc(cc1)F 808c9830441596fbaaebad45efdd35d1 [0,2,0,0,0,0|2,0,0]=4 1061 B12R1.12 CCN(CF)c1ccc(cc1)Br 9e406a562612e0654fa8cf4724ea7f32 [0,2,0,0,0,0|2,0,0]=4 1062 B12R1.12 CCN(CF)c1ccc(cc1)C 497133c7d33382f6ad45732e446045f0 [0,2,0,0,0,0|2,0,0]=4 1063 B12R1.12 CCN(CF)c1ccc(cc1)F 8811927ab5d51afe373bbced291a69b7 [0,2,0,0,0,0|2,0,0]=4 1064 B12R1.12 CCN(CO)c1ccc(cn1)Br 5e841ad33b29ec26ef4a218315ad2dbc [0,2,0,0,0,0|2,0,0]=4 1065 B12R1.13 CCN(C#N)c1cccc(c1)Br 7fef940fa6c02455805918cc3835b07d [0,2,0,0,0,0|2,0,0]=4 1066 B12R1.13 CCN(C=O)c1cccc(c1)Br b09102eb19d6ee0066ff9da9f16802ad [0,2,0,0,0,0|1,0,1]=4 1067 B12R1.13 CCN(C=O)c1cccc(c1)C 66edc5dcca08cc518c8d4208c202e614 [0,2,0,0,0,0|1,0,1]=4 1068 B12R1.13 CCN(C=O)c1cccc(c1)Cl f1280dfd687af0662c8c7fc9e5804186 [0,2,0,0,0,0|1,0,1]=4 1069 B12R1.13 CCN(C=O)c1cccc(c1)F ad8cef72c1f5d6136c2febaf674d8a33 [0,2,0,0,0,0|1,0,1]=4 1070 B12R1.13 CCN(C=O)c1cccc(c1)O c24e9df2171a902944c8ed7e8a9c39cb [0,2,0,0,0,0|1,0,1]=4 1071 B12R1.13 CCN(CC)c1cccc(c1)Br 2f591c99eb595375d8bc1fb2a9455a44 [0,2,0,0,0,0|2,0,0]=4 1072 B12R1.13 CCN(CC)c1cccc(c1)F 1612a8108c027fe8ced6cd18fac67730 [0,2,0,0,0,0|2,0,0]=4 1073 B12R1.13 CCN(CF)c1cccc(c1)Br 0beef7a63c7e78248ed8f65042f3264e [0,2,0,0,0,0|2,0,0]=4 1074 B12R1.13 CCN(CF)c1cccc(c1)Cl a063cdf6dbec2009a13a3a27f27d3184 [0,2,0,0,0,0|2,0,0]=4 1075 B12R1.13 CCN(CF)c1cccc(c1)F 00494da242ed8c05c74df41b2bc8289b [0,2,0,0,0,0|2,0,0]=4 1076 B12R1.13 CCN(CO)c1cc(ccn1)Cl d0c21d9aa5e8753fc5b6cb3a28329c65 [0,2,0,0,0,0|2,0,0]=4 1077 B12R1.13 CCN(CO)c1cc[nH]c(=O)c1 80c5d3bc5eebc33b74ef7ffc5ca8081d [0,2,0,0,0,0|2,0,0]=4 1078 B12R1.13 CCN(CO)c1cccc(c1)Br 49746d53646e2fa10cdb4761a0a666c0 [0,2,0,0,0,0|1,0,0]=3 1079 B12R1.13 CCN(CO)c1cccc(c1)F 105e4373ca7e83835dff5bbc4b7bdf24 [0,2,0,0,0,0|1,0,0]=3 1080 B12R1.243 CCN(C=O)c1ccccc1Br 73f4c91f77b803e18289ea62f9f13e02 [0,2,0,0,0,0|1,0,1]=4 1081 B12R1.243 CCN(C=O)c1ccccc1C 501349ea0d18ad0cf5fb9654d3271030 [0,2,0,0,0,0|1,0,1]=4 1082 B12R1.243 CCN(C=O)c1ccccc1Cl fb9903b4c38df435792122a814bcd691 [0,2,0,0,0,0|1,0,1]=4 1083 B12R1.243 CCN(C=O)c1ccccc1F c4fad30ba83c3c1c333ea47b8f9f6366 [0,2,0,0,0,0|1,0,1]=4 1084 B12R1.243 CCN(C=O)c1ccccc1O 816b767689b3d33145efa1da1f0cf5f3 [0,2,0,0,0,0|1,0,1]=4 1085 B12R1.243 CCN(CO)c1ncccc1Br 25c211231e60dfa69b672d493cddfdbb [0,2,0,0,0,0|2,0,0]=4 1086 B12R1.478 CC(C)N(C#N)c1ccccc1 791504caa838a69af0259636516d458c [0,2,0,0,0,0|2,0,0]=4 1087 B12R1.16 CC(NCF)c1ccc(cc1)F e3184fa4c42ae84d1c9ef936216c69a2 [0,2,0,0,0,0|2,0,0]=4 1088 B12R1.16 CC(NCF)c1ccc(cc1)I f2151bf5edf37061e6e1092a8c2147a8 [0,2,0,0,0,0|2,0,0]=4 1089 B12R1.16 CC(NCO)c1ccc(cc1)Br e264284758536dfc8fd891f61c9a75cc [0,2,0,0,0,0|2,0,0]=4 1090 B12R1.16 CC(NCO)c1ccc(cc1)Cl 50ceb9a6f3e8c24248339e2481d8c9af [0,2,0,0,0,0|2,0,0]=4 1091 B12R1.16 CC(NCO)c1ccc(cc1)F 23a029e032bb878119d4a3308cec3264 [0,2,0,0,0,0|2,0,0]=4 1092 B12R1.16 CC(NCO)c1ccc(cc1)I 5b775b5cd3bc6f45567774a49e261411 [0,2,0,0,0,0|2,0,0]=4 1093 B12R1.16 CC(OCF)c1ccc(cc1)Br 236b3907feecec97ec17720249b19928 [0,2,0,0,0,0|2,0,0]=4 1094 B12R1.16 CC(OCF)c1ccc(cc1)Cl 83333c6b37c7786b1791b8fe58d88452 [0,2,0,0,0,0|2,0,0]=4 1095 B12R1.16 CC(OCF)c1ccc(cc1)F 8c37a0b4d137a61dd127c7f36d203962 [0,2,0,0,0,0|2,0,0]=4 1096 B12R1.16 CC(OCF)c1ccc(cc1)I bdda7360c180e4619e05145b589292de [0,2,0,0,0,0|2,0,0]=4 1097 B12R1.16 CCCN(C)c1ccc(cc1)Br e61bdd8a108f27231a2f1e4f464a0449 [0,2,0,0,0,0|2,0,0]=4 1098 B12R1.16 CCCN(C)c1ccc(cc1)Cl 8843e79cc118a8b39cb7a4677c22e893 [0,2,0,0,0,0|2,0,0]=4 1099 B12R1.16 CCCN(C)c1ccc(cc1)F b2f2c1c375300f70a9f9d3af7ea22019 [0,2,0,0,0,0|2,0,0]=4 1100 B12R1.16 CCCN(C)c1ccc(cc1)I b6bdb6a0f5c52c6e29ef784cbc5fe7ee [0,2,0,0,0,0|2,0,0]=4 1101 B12R1.16 CCCN(C)c1ccc(cc1)S ed9ea5c5681310eb4dd3a9ca34a4baf1 [0,2,0,0,0,0|2,0,0]=4 1102 B12R1.16 CCNC(C)c1ccc(cc1)C a50a292b0f9ab98a935a045bf6f5df18 [0,2,0,0,0,0|1,0,0]=3 1103 B12R1.16 CCNC(C)c1ccc(cc1)F 90b07bc2b2295f4c41db42242c518735 [0,2,0,0,0,0|1,0,0]=3 1104 B12R1.16 CCNC(C)c1ccc(cc1)I 08a361f82931829d0267b9a6741fe60a [0,2,0,0,0,0|1,0,0]=3 1105 B12R1.16 CCNC(C)c1ccc(cn1)C 7582b34058d0f19ca08d4776c6092ae6 [0,2,0,0,0,0|2,0,0]=4 1106 B12R1.16 CCNC(C)c1ccc(cn1)Cl 27c991b0f89dfe1cce36d9d68cd40ab5 [0,2,0,0,0,0|2,0,0]=4 1107 B12R1.16 CCNC(C)c1ccc(cn1)F 7ea87963b5657184f4504bf5dd0e1125 [0,2,0,0,0,0|2,0,0]=4 1108 B12R1.16 CCNC(C)c1ccc(nc1)C 80240cb538b58165965ecaa9c78afec2 [0,2,0,0,0,0|2,0,0]=4 1109 B12R1.16 CCNC(C)c1ccc(nc1)Cl c96d717ee98ef07f5a9cee9293a58b72 [0,2,0,0,0,0|2,0,0]=4 1110 B12R1.16 CCNC(C)c1ccc(nc1)F b9c43d1045d7a2d38a4eba49d07e3f67 [0,2,0,0,0,0|2,0,0]=4 1111 B12R1.16 CCN[C@@H](C)c1ccc(cc1)C 0ed8e55d6183d258b51cdca6296060eb [0,2,0,0,0,0|1,0,0]=3 1112 B12R1.16 CCN[C@@H](C)c1ccc(cc1)F 1cdeff47614cd0408e972403b21ec1f4 [0,2,0,0,0,0|1,0,0]=3 1113 B12R1.16 CCN[C@@H](C)c1ccc(cc1)I d8251c0e8ba76150b133d569aa22ac48 [0,2,0,0,0,0|1,0,0]=3 1114 B12R1.16 CCN[C@@H](C)c1ccc(cn1)Cl cb2a0c73e3f4c5076256e0a5299658b8 [0,2,0,0,0,0|2,0,0]=4 1115 B12R1.16 CCN[C@@H](C)c1ccc(cn1)F 878f6be3785d875a5231875d36b787ad [0,2,0,0,0,0|2,0,0]=4 1116 B12R1.16 CCN[C@@H](C)c1ccc(nc1)C 8633f2fb71f4c8b42ce378ceb1b78ae2 [0,2,0,0,0,0|2,0,0]=4 1117 B12R1.16 CCN[C@@H](C)c1ccc(nc1)Cl 1d8f7935f7e15b1aca2b1403df443ad5 [0,2,0,0,0,0|2,0,0]=4 1118 B12R1.16 CCN[C@H](C)c1ccc(cc1)C 156165d95a1b59d54961645431890c7a [0,2,0,0,0,0|1,0,0]=3 1119 B12R1.16 CCN[C@H](C)c1ccc(cc1)F ae87029077c5b327ded4690eccde6389 [0,2,0,0,0,0|1,0,0]=3 1120 B12R1.16 CCN[C@H](C)c1ccc(cc1)I 2a878af2411beb0b90eb41ee2af406ec [0,2,0,0,0,0|1,0,0]=3 1121 B12R1.16 CCN[C@H](C)c1ccc(cn1)C 9176b80f2623f562fbfb7c8e68a6653f [0,2,0,0,0,0|2,0,0]=4 1122 B12R1.16 CCN[C@H](C)c1ccc(nc1)C 4ce1ce2efd35559ffdeb293db8293165 [0,2,0,0,0,0|2,0,0]=4 1123 B12R1.16 CCN[C@H](C)c1ccc(nc1)Cl bacdc5b213e0fcd547efdb85a18a3b7c [0,2,0,0,0,0|2,0,0]=4 1124 B12R1.16 CCOC(C)c1ccc(cc1)Br 982b0de4fe585ef0ed4de9a2ad175c76 [0,2,0,0,0,0|1,0,0]=3 1125 B12R1.16 CCOC(C)c1ccc(cc1)C 396c60b3d54a12f6e40154fa61bed9a2 [0,2,0,0,0,0|1,0,0]=3 1126 B12R1.16 CCOC(C)c1ccc(cc1)Cl f3e42c6226de75401fcbe78959e283b4 [0,2,0,0,0,0|1,0,0]=3 1127 B12R1.16 CCOC(C)c1ccc(cc1)F aa2360b399b3a087ca1f4c68307ca7f9 [0,2,0,0,0,0|1,0,0]=3 1128 B12R1.16 CCOC(C)c1ccc(cc1)I df7946fcea9073fd52039fd14b542186 [0,2,0,0,0,0|1,0,0]=3 1129 B12R1.16 CCOC(C)c1ccc(cn1)C 02dda4a55432f0b1eb0f6877ebf0e6f2 [0,2,0,0,0,0|2,0,0]=4 1130 B12R1.16 CCOC(C)c1ccc(cn1)Cl a3bc45856657deb07b5eec56773abf74 [0,2,0,0,0,0|2,0,0]=4 1131 B12R1.16 CCOC(C)c1ccc(cn1)F aed7e17ccf9557f8c1d9bf0adb0a3472 [0,2,0,0,0,0|2,0,0]=4 1132 B12R1.16 CCOC(C)c1ccc(nc1)C 3682fa812228a33fcb267066adb5661b [0,2,0,0,0,0|2,0,0]=4 1133 B12R1.16 CCOC(C)c1ccc(nc1)Cl 513604a48a9cd9c919d40ce2079cde4a [0,2,0,0,0,0|2,0,0]=4 1134 B12R1.16 CCOC(C)c1ccc(nc1)F 03fd8abf716de40087b07cb83cd93d3e [0,2,0,0,0,0|2,0,0]=4 1135 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Br baebd2a419f28b0a8d634bb2e1beabd2 [0,2,0,0,0,0|1,0,0]=3 1136 B12R1.16 CCO[C@@H](C)c1ccc(cc1)C 4b30f3a8366a8fb2f9c8e9aab05e6a26 [0,2,0,0,0,0|1,0,0]=3 1137 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Cl b58e0ece298e7501aaf1b8b3f7a60aa4 [0,2,0,0,0,0|1,0,0]=3 1138 B12R1.16 CCO[C@@H](C)c1ccc(cc1)F 4ecc8dc42f537f03870cfcf5e10780d9 [0,2,0,0,0,0|1,0,0]=3 1139 B12R1.16 CCO[C@@H](C)c1ccc(cc1)I c1b200e42035110d73ed51b5e0160363 [0,2,0,0,0,0|1,0,0]=3 1140 B12R1.16 CCO[C@@H](C)c1ccc(nc1)Cl 123ebbdce6ac15c0af894eb187aeb5e4 [0,2,0,0,0,0|2,0,0]=4 1141 B12R1.16 CCO[C@H](C)c1ccc(cc1)Br ad3a9b113cf467bd3633b78e4753cf67 [0,2,0,0,0,0|1,0,0]=3 1142 B12R1.16 CCO[C@H](C)c1ccc(cc1)C 2b0a96f73189e636184d743f74d1f9b2 [0,2,0,0,0,0|1,0,0]=3 1143 B12R1.16 CCO[C@H](C)c1ccc(cc1)Cl 733a1736cadd5d822b040a3bf9e6e663 [0,2,0,0,0,0|1,0,0]=3 1144 B12R1.16 CCO[C@H](C)c1ccc(cc1)F b784fadab1e81279e11581819d36414a [0,2,0,0,0,0|1,0,0]=3 1145 B12R1.16 CCO[C@H](C)c1ccc(cc1)I 1b18a984c01fe648b9af7b33a1359669 [0,2,0,0,0,0|1,0,0]=3 1146 B12R1.16 CCO[C@H](C)c1ccc(cn1)F d0f466c073da58a3a4ae9e3fbc880001 [0,2,0,0,0,0|2,0,0]=4 1147 B12R1.16 CCO[C@H](C)c1ccc(nc1)Cl 9141c0ac876285c7e84a26f3727f6e0b [0,2,0,0,0,0|2,0,0]=4 1148 B12R1.16 CN(CCF)c1ccc(cc1)Br 822558f1ba369b6f99edf8db7845cca0 [0,2,0,0,0,0|2,0,0]=4 1149 B12R1.16 CN(CCF)c1ccc(cc1)Cl cf5d167dc50dc94d37e643c35cd673ee [0,2,0,0,0,0|2,0,0]=4 1150 B12R1.16 CN(CCF)c1ccc(cc1)F bfa2dad64eb734bf9a45a9aa83b5bdcb [0,2,0,0,0,0|2,0,0]=4 1151 B12R1.16 CN(CCF)c1ccc(cc1)I 4437dd8850c053cde1fe0f16dcb300d9 [0,2,0,0,0,0|2,0,0]=4 1152 B12R1.16 CN(CCF)c1ccc(cc1)S f374de2366c8e8d89127c310dc39d02e [0,2,0,0,0,0|2,0,0]=4 1153 B12R1.16 CN(CCO)c1ccc(cc1)F 5b0804e8d676760fc0cf47e7aff03c16 [0,2,0,0,0,0|2,0,0]=4 1154 B12R1.16 CN(CCO)c1ccc(cc1)I 2fb77c962cd3219ae72876e08c3e5a94 [0,2,0,0,0,0|2,0,0]=4 1155 B12R1.16 CN(CCO)c1ccc(cc1)S 9089b70beb90b73f4598074855976a7c [0,2,0,0,0,0|2,0,0]=4 1156 B12R1.16 CN(CCS)c1ccc(cc1)Br 489ac502c3dea07c4fa90f816fd3f097 [0,2,0,0,0,0|2,0,0]=4 1157 B12R1.16 CN(CCS)c1ccc(cc1)Cl 846e4400d279cfb0a90d194758cf1a57 [0,2,0,0,0,0|2,0,0]=4 1158 B12R1.16 CN(CCS)c1ccc(cc1)F d7f1b06c18d4f6bb0d61ffd689652208 [0,2,0,0,0,0|2,0,0]=4 1159 B12R1.16 CN(CCS)c1ccc(cc1)I fbd10d703de3a180071b8336256d895c [0,2,0,0,0,0|2,0,0]=4 1160 B12R1.16 CN(CCS)c1ccc(cc1)S 16504f40226b9f16c1cbdbcb9b0fb164 [0,2,0,0,0,0|2,0,0]=4 1161 B12R1.16 COCN(C)c1ccc(cc1)Br 5c3d79f8c883333efa3e489e535b8121 [0,2,0,0,0,0|2,0,0]=4 1162 B12R1.16 COCN(C)c1ccc(cc1)C 260a9b4be5f588be4c5cb528cb614c98 [0,2,0,0,0,0|2,0,0]=4 1163 B12R1.16 COCN(C)c1ccc(cc1)Cl 414d21cc2de4691930f611c0fc20992c [0,2,0,0,0,0|2,0,0]=4 1164 B12R1.16 COCN(C)c1ccc(cc1)F 1014ccace74e2a32c2b4daac55daf6ce [0,2,0,0,0,0|2,0,0]=4 1165 B12R1.16 COCN(C)c1ccc(cc1)I fa26c64233841ba8e1240eb81e88c955 [0,2,0,0,0,0|2,0,0]=4 1166 B12R1.16 COCN(C)c1ccc(cc1)S 780cd73c99e79417e165649842ab3742 [0,2,0,0,0,0|2,0,0]=4 1167 B12R1.16 CSCN(C)c1ccc(cc1)Br bb70e9c062394c04a8b3a95ef61fd0f1 [0,2,0,0,0,0|2,0,0]=4 1168 B12R1.16 CSCN(C)c1ccc(cc1)C 4795340d58f6ab15f6b51f3965e940df [0,2,0,0,0,0|2,0,0]=4 1169 B12R1.16 CSCN(C)c1ccc(cc1)Cl ed7b121c4e32ac4e8ef90b5ef10dbf54 [0,2,0,0,0,0|2,0,0]=4 1170 B12R1.16 CSCN(C)c1ccc(cc1)F ac19d1d5c40a194c4232c5721c0b70f9 [0,2,0,0,0,0|2,0,0]=4 1171 B12R1.16 CSCN(C)c1ccc(cc1)I 17db1b2626f4f373d290e9cef040215c [0,2,0,0,0,0|2,0,0]=4 1172 B12R1.16 CSCN(C)c1ccc(cc1)S f36f517d4ebd372f801e64a425b8a1d3 [0,2,0,0,0,0|2,0,0]=4 1173 B12R1.16 C[C@@H](NCF)c1ccc(cc1)F 2c2720ca35eedaa74ba98bd126a7b434 [0,2,0,0,0,0|2,0,0]=4 1174 B12R1.16 C[C@@H](NCF)c1ccc(cc1)I 63e69ab8ae3622f8a20bb2d4249ee750 [0,2,0,0,0,0|2,0,0]=4 1175 B12R1.16 C[C@@H](NCO)c1ccc(cc1)Br c6b6a70a9b2dd44f9426c662be2d9c9c [0,2,0,0,0,0|2,0,0]=4 1176 B12R1.16 C[C@@H](NCO)c1ccc(cc1)Cl 277abe0b1b70407116a774272f8f041f [0,2,0,0,0,0|2,0,0]=4 1177 B12R1.16 C[C@@H](NCO)c1ccc(cc1)F 3ccc055b9e8bf808e9a760cdb1260a44 [0,2,0,0,0,0|2,0,0]=4 1178 B12R1.16 C[C@@H](NCO)c1ccc(cc1)I 2ef404df7004faa0f0c6fdd986814320 [0,2,0,0,0,0|2,0,0]=4 1179 B12R1.16 C[C@@H](OCF)c1ccc(cc1)Br a559ccb2f0b3df3219b286e8b79a2f55 [0,2,0,0,0,0|2,0,0]=4 1180 B12R1.16 C[C@@H](OCF)c1ccc(cc1)Cl 6d6b455e74677e915c3fb0b91a4e0c0d [0,2,0,0,0,0|2,0,0]=4 1181 B12R1.16 C[C@@H](OCF)c1ccc(cc1)F 10dabee5a34917a287411d72a32ff354 [0,2,0,0,0,0|2,0,0]=4 1182 B12R1.16 C[C@@H](OCF)c1ccc(cc1)I 2c2f78576465480dc40f2fc0df0c2a0e [0,2,0,0,0,0|2,0,0]=4 1183 B12R1.16 C[C@H](NCF)c1ccc(cc1)F 8349596821e8c5f0a9f3ecaa613ee363 [0,2,0,0,0,0|2,0,0]=4 1184 B12R1.16 C[C@H](NCF)c1ccc(cc1)I d016577ede5e80390b1cac6bf8279b8b [0,2,0,0,0,0|2,0,0]=4 1185 B12R1.16 C[C@H](NCO)c1ccc(cc1)Br c112b1ab773d0ee6c20418ed7c378e51 [0,2,0,0,0,0|2,0,0]=4 1186 B12R1.16 C[C@H](NCO)c1ccc(cc1)Cl 8aca1f606b786514917b510d66c1fab5 [0,2,0,0,0,0|2,0,0]=4 1187 B12R1.16 C[C@H](NCO)c1ccc(cc1)F 223505081048da9ae4e8d6a9b94d01a9 [0,2,0,0,0,0|2,0,0]=4 1188 B12R1.16 C[C@H](NCO)c1ccc(cc1)I a08bb1bb1f3e3d6214e12b19fda00f9d [0,2,0,0,0,0|2,0,0]=4 1189 B12R1.16 C[C@H](OCF)c1ccc(cc1)Br 7aabaa75140816c96ee3928e62b15dd9 [0,2,0,0,0,0|2,0,0]=4 1190 B12R1.16 C[C@H](OCF)c1ccc(cc1)Cl 4e81ce6cd9d962c868d57129bdae2a9e [0,2,0,0,0,0|2,0,0]=4 1191 B12R1.16 C[C@H](OCF)c1ccc(cc1)F 289cf3b0de93cb59c2ff0b7ab2420e05 [0,2,0,0,0,0|2,0,0]=4 1192 B12R1.16 C[C@H](OCF)c1ccc(cc1)I 65c70a6662e664ad837470f8fd4fa259 [0,2,0,0,0,0|2,0,0]=4 1193 B12R1.16 Cc1ccc(cc1)C(C)NCF 1d5731703f4077c8ef67df98d3c94f4e [0,2,0,0,0,0|2,0,0]=4 1194 B12R1.16 Cc1ccc(cc1)C(C)NCO 6e45f6689dbe224a21e83db0dd19e6de [0,2,0,0,0,0|2,0,0]=4 1195 B12R1.16 Cc1ccc(cc1)C(C)OCF e9d60b83476771ae90e246ba316a36fb [0,2,0,0,0,0|2,0,0]=4 1196 B12R1.16 Cc1ccc(cc1)N(C)CCO 39042d771df47b8469e33261b483f64a [0,2,0,0,0,0|2,0,0]=4 1197 B12R1.16 Cc1ccc(cc1)N(C)CCS 2d7f2cfe06740aa0e23780f43bb310ae [0,2,0,0,0,0|2,0,0]=4 1198 B12R1.16 Cc1ccc(cc1)[C@@H](C)NCF 0a0cd8cc9b79ef2fcf8f9739269f827c [0,2,0,0,0,0|2,0,0]=4 1199 B12R1.16 Cc1ccc(cc1)[C@@H](C)NCO 6ad3623e107a53b7c7c6d36133d94314 [0,2,0,0,0,0|2,0,0]=4 1200 B12R1.16 Cc1ccc(cc1)[C@@H](C)OCF 13a5bd08c8932589c6d7751c4d108245 [0,2,0,0,0,0|2,0,0]=4 1201 B12R1.16 Cc1ccc(cc1)[C@H](C)NCF 2390ee34e9a21252d067df59327a8866 [0,2,0,0,0,0|2,0,0]=4 1202 B12R1.16 Cc1ccc(cc1)[C@H](C)NCO 3620253068391a97254572594e674572 [0,2,0,0,0,0|2,0,0]=4 1203 B12R1.16 Cc1ccc(cc1)[C@H](C)OCF 0f88a2e92752d13fef78fe01f4ed8f81 [0,2,0,0,0,0|2,0,0]=4 1204 B12R1.17 CC(NCF)c1cccc(c1)Br a2bf6ac8599b4fdc533428a0a167007b [0,2,0,0,0,0|2,0,0]=4 1205 B12R1.17 CC(NCF)c1cccc(c1)Cl 4c7f84cd6c39a51029b777465c7d6c95 [0,2,0,0,0,0|2,0,0]=4 1206 B12R1.17 CC(NCF)c1cccc(c1)F 9494b4cbaacf534daa070aaa11205da8 [0,2,0,0,0,0|2,0,0]=4 1207 B12R1.17 CC(NCO)c1cccc(c1)Br 922e64f914a2d632d7487974626feb20 [0,2,0,0,0,0|2,0,0]=4 1208 B12R1.17 CC(NCO)c1cccc(c1)Cl 73fe839960baaaa01e59634dd685dbb1 [0,2,0,0,0,0|2,0,0]=4 1209 B12R1.17 CC(NCO)c1cccc(c1)F f0652a3f82e27702014e62d0566a1de9 [0,2,0,0,0,0|2,0,0]=4 1210 B12R1.17 CC(OCF)c1cccc(c1)Br 01ca5a07dd81c7a95fe1bcc746ec9e7d [0,2,0,0,0,0|2,0,0]=4 1211 B12R1.17 CC(OCF)c1cccc(c1)Cl 779988336410abd4eac123ce57f5e2f3 [0,2,0,0,0,0|2,0,0]=4 1212 B12R1.17 CC(OCF)c1cccc(c1)F b9dd2c50cb926ad35e251041562dcc7e [0,2,0,0,0,0|2,0,0]=4 1213 B12R1.17 CC(OCF)c1cccc(c1)I 47eaf0683a1d125a502deea14ce1bd87 [0,2,0,0,0,0|2,0,0]=4 1214 B12R1.17 CCCN(C)c1cccc(c1)Br 7eb75a8250f95c9697df4917ec6489ae [0,2,0,0,0,0|2,0,0]=4 1215 B12R1.17 CCCN(C)c1cccc(c1)Cl 07e726c51710591c3cf839ae947b1a42 [0,2,0,0,0,0|2,0,0]=4 1216 B12R1.17 CCCN(C)c1cccc(c1)F af9295ec07040c2649b20d250b5d0681 [0,2,0,0,0,0|2,0,0]=4 1217 B12R1.17 CCCN(C)c1cccc(c1)I 91e551f84de58d84b25877bbf8b8f4e6 [0,2,0,0,0,0|2,0,0]=4 1218 B12R1.17 CCNC(C)c1cc(ccn1)C 1f94d2a14f726f2428ecc36f9ffe69a1 [0,2,0,0,0,0|2,0,0]=4 1219 B12R1.17 CCNC(C)c1cc(ccn1)Cl a992ccb35ff8fd73a86df25718cf32cd [0,2,0,0,0,0|2,0,0]=4 1220 B12R1.17 CCNC(C)c1cccc(c1)Br e6c9fd584e7feb4e758a650f51e22ccc [0,2,0,0,0,0|1,0,0]=3 1221 B12R1.17 CCNC(C)c1cccc(c1)C db8e6428335d8b366ee39d6e277943db [0,2,0,0,0,0|1,0,0]=3 1222 B12R1.17 CCNC(C)c1cccc(c1)Cl 51c25d2dceca4ad868198756d2f3ea90 [0,2,0,0,0,0|1,0,0]=3 1223 B12R1.17 CCNC(C)c1cccc(c1)F 6a89435cbf3436c2764f23c876d831b5 [0,2,0,0,0,0|1,0,0]=3 1224 B12R1.17 CCNC(C)c1cccc(n1)Br 10e156865ccfdfe6a38badab6cd7b131 [0,2,0,0,0,0|2,0,0]=4 1225 B12R1.17 CCNC(C)c1cccc(n1)C c1de50a89d1e47eeaf8c39ac465c5417 [0,2,0,0,0,0|2,0,0]=4 1226 B12R1.17 CCNC(C)c1cccc(n1)Cl 059aec13aacc3af4f9e8187a6fa63a2c [0,2,0,0,0,0|2,0,0]=4 1227 B12R1.17 CCNC(C)c1cccc(n1)F 520cb338cf21a3c3a1fc3835411a9927 [0,2,0,0,0,0|2,0,0]=4 1228 B12R1.17 CCNC(C)c1ccnc(c1)C 7bd12feee6d3020d1cf79db57fc84664 [0,2,0,0,0,0|2,0,0]=4 1229 B12R1.17 CCNC(C)c1cncc(c1)F 21009179f1a3b5aa51a0b19f09793acd [0,2,0,0,0,0|2,0,0]=4 1230 B12R1.17 CCN[C@@H](C)c1cccc(c1)Br 6882c062be643e6f1479c43382a1f97e [0,2,0,0,0,0|1,0,0]=3 1231 B12R1.17 CCN[C@@H](C)c1cccc(c1)C ad1678c586d84563b274dd5bcfd4c65b [0,2,0,0,0,0|1,0,0]=3 1232 B12R1.17 CCN[C@@H](C)c1cccc(c1)Cl 85c185ae290690f3266862442a2473d8 [0,2,0,0,0,0|1,0,0]=3 1233 B12R1.17 CCN[C@@H](C)c1cccc(c1)F 0dedb0b66bba28f84038e5ae70474542 [0,2,0,0,0,0|1,0,0]=3 1234 B12R1.17 CCN[C@@H](C)c1cccc(c1)I e0c90057fd046352ca9827408e1c3425 [0,2,0,0,0,0|1,0,0]=3 1235 B12R1.17 CCN[C@@H](C)c1cccc(n1)Br 5b56083d1aaf9811dbde5ebfc87691e3 [0,2,0,0,0,0|2,0,0]=4 1236 B12R1.17 CCN[C@@H](C)c1cccc(n1)C 96979970b630776922d0e71f65967eb9 [0,2,0,0,0,0|2,0,0]=4 1237 B12R1.17 CCN[C@@H](C)c1ccnc(c1)C df1530a23431a84682dd600d85a63391 [0,2,0,0,0,0|2,0,0]=4 1238 B12R1.17 CCN[C@@H](C)c1ccnc(c1)Cl dcd9a4fdeaa8306a6df60bc7ca12081a [0,2,0,0,0,0|2,0,0]=4 1239 B12R1.17 CCN[C@@H](C)c1cncc(c1)Cl b401bc887d927f830d9bb05572ac16a0 [0,2,0,0,0,0|2,0,0]=4 1240 B12R1.17 CCN[C@@H](C)c1cncc(c1)F 4f3d9a5cc06a4db565a76ebf3263450a [0,2,0,0,0,0|2,0,0]=4 1241 B12R1.17 CCN[C@H](C)c1cccc(c1)Br 5c6dbc44b6f3f8ec6a8c3fa96245bb1d [0,2,0,0,0,0|1,0,0]=3 1242 B12R1.17 CCN[C@H](C)c1cccc(c1)C bb6f09b8be3dec841bef80f5325226bf [0,2,0,0,0,0|1,0,0]=3 1243 B12R1.17 CCN[C@H](C)c1cccc(c1)Cl 07473dd26a362400745fd7b6b88adc2a [0,2,0,0,0,0|1,0,0]=3 1244 B12R1.17 CCN[C@H](C)c1cccc(c1)F e235faf6f177090ebbe131406ad51bf5 [0,2,0,0,0,0|1,0,0]=3 1245 B12R1.17 CCN[C@H](C)c1cccc(n1)Br 3fdbd9f85516688afe2b7f8811654f26 [0,2,0,0,0,0|2,0,0]=4 1246 B12R1.17 CCN[C@H](C)c1ccnc(c1)Br a17ae4bfaa117723f54c7193cd5b3449 [0,2,0,0,0,0|2,0,0]=4 1247 B12R1.17 CCN[C@H](C)c1ccnc(c1)C 5560da2e9aa57d6b97253f0269dce767 [0,2,0,0,0,0|2,0,0]=4 1248 B12R1.17 CCN[C@H](C)c1ccnc(c1)Cl fa565aa88134a678e7b22d247775bdf8 [0,2,0,0,0,0|2,0,0]=4 1249 B12R1.17 CCN[C@H](C)c1cncc(c1)Cl ac7676bed51c4a4dc48ab035d4aef7d6 [0,2,0,0,0,0|2,0,0]=4 1250 B12R1.17 CCOC(C)c1cc(ccn1)Br 6b71f13d2997d8f9b2de5f99177fb2bf [0,2,0,0,0,0|2,0,0]=4 1251 B12R1.17 CCOC(C)c1cc(ccn1)C 076bc8afc76015d2cb361cf7255c0012 [0,2,0,0,0,0|2,0,0]=4 1252 B12R1.17 CCOC(C)c1cc(ccn1)Cl bbb2f7852a335754be8e7937f7d2eace [0,2,0,0,0,0|2,0,0]=4 1253 B12R1.17 CCOC(C)c1cccc(c1)Br 42ca494baf4aa0a38e9fb3366b773268 [0,2,0,0,0,0|1,0,0]=3 1254 B12R1.17 CCOC(C)c1cccc(c1)C 77489ca20b0c159fdffd29d1744d738a [0,2,0,0,0,0|1,0,0]=3 1255 B12R1.17 CCOC(C)c1cccc(c1)Cl d76065522f99861b8f31d7f88c32d628 [0,2,0,0,0,0|1,0,0]=3 1256 B12R1.17 CCOC(C)c1cccc(c1)F 724570a61f9c9797e61dce1db0386846 [0,2,0,0,0,0|1,0,0]=3 1257 B12R1.17 CCOC(C)c1cccc(c1)I d454d6b1d8844d9b454c0363645bbb70 [0,2,0,0,0,0|1,0,0]=3 1258 B12R1.17 CCOC(C)c1cccc(n1)Br 14d6c4cc42250a34d9f6f4e59d7d5cc9 [0,2,0,0,0,0|2,0,0]=4 1259 B12R1.17 CCOC(C)c1cccc(n1)C 2309eb9b1e8048a4f7d5de22b3c0cc8e [0,2,0,0,0,0|2,0,0]=4 1260 B12R1.17 CCOC(C)c1cccc(n1)F a693f89002c5084658be0ce90f1810ff [0,2,0,0,0,0|2,0,0]=4 1261 B12R1.17 CCOC(C)c1ccnc(c1)Br f47ca24ece6b9f508486e0c358087e50 [0,2,0,0,0,0|2,0,0]=4 1262 B12R1.17 CCOC(C)c1ccnc(c1)C 36f7eb4d13acaad51a6aafe9e6f4daba [0,2,0,0,0,0|2,0,0]=4 1263 B12R1.17 CCOC(C)c1ccnc(c1)Cl 585f687a7648e69416e9b3d7fdc6ae69 [0,2,0,0,0,0|2,0,0]=4 1264 B12R1.17 CCOC(C)c1cncc(c1)Cl b4776e8ad85105121bec5d01d4958ee4 [0,2,0,0,0,0|2,0,0]=4 1265 B12R1.17 CCOC(C)c1cncc(c1)F 8c42fc6131de3f014072e1968ec8a7e4 [0,2,0,0,0,0|2,0,0]=4 1266 B12R1.17 CCO[C@@H](C)c1cccc(c1)Br a6bcaa4e35963ce1794b8e13e8f20ac9 [0,2,0,0,0,0|1,0,0]=3 1267 B12R1.17 CCO[C@@H](C)c1cccc(c1)C 33dd0e36ecc47e9d30382124af23bb72 [0,2,0,0,0,0|1,0,0]=3 1268 B12R1.17 CCO[C@@H](C)c1cccc(c1)Cl a0cb09592617352d4e52595d42a99fc5 [0,2,0,0,0,0|1,0,0]=3 1269 B12R1.17 CCO[C@@H](C)c1cccc(c1)F dc0d46b451aae28446975dff011877bb [0,2,0,0,0,0|1,0,0]=3 1270 B12R1.17 CCO[C@H](C)c1cc(ccn1)C b8bf25f46ac19845c170f83379aba18c [0,2,0,0,0,0|2,0,0]=4 1271 B12R1.17 CCO[C@H](C)c1cccc(c1)Br b1e5cf473b6a64a7764f8f222a9041d3 [0,2,0,0,0,0|1,0,0]=3 1272 B12R1.17 CCO[C@H](C)c1cccc(c1)C f495253381fbba7e8b85f8c69e274296 [0,2,0,0,0,0|1,0,0]=3 1273 B12R1.17 CCO[C@H](C)c1cccc(c1)Cl 0ea8aa6694bd99a0876fd9dc9ea2a396 [0,2,0,0,0,0|1,0,0]=3 1274 B12R1.17 CCO[C@H](C)c1cccc(c1)F e6c9bbadd74036f7f872059480f0031e [0,2,0,0,0,0|1,0,0]=3 1275 B12R1.17 CCO[C@H](C)c1cccc(n1)Br 02fa82bb1e619255a1f77019279a9dbd [0,2,0,0,0,0|2,0,0]=4 1276 B12R1.17 CCO[C@H](C)c1cccc(n1)C 17759eb69fecf54b3ee196ad49b0176d [0,2,0,0,0,0|2,0,0]=4 1277 B12R1.17 CN(CCF)c1cccc(c1)Br 1eaf9c4181adbd967212440571b63008 [0,2,0,0,0,0|2,0,0]=4 1278 B12R1.17 CN(CCF)c1cccc(c1)Cl cbcb7740d169c0c913c076593b480cfc [0,2,0,0,0,0|2,0,0]=4 1279 B12R1.17 CN(CCF)c1cccc(c1)F 83c9da60dd03b3b5da8cd4ae59ee58f0 [0,2,0,0,0,0|2,0,0]=4 1280 B12R1.17 CN(CCF)c1cccc(c1)I e41371a3eeade0126ef6a01f975e53c8 [0,2,0,0,0,0|2,0,0]=4 1281 B12R1.17 CN(CCO)c1cccc(c1)Br 20c2812752b1ce00e3d71fccb80c7aa1 [0,2,0,0,0,0|2,0,0]=4 1282 B12R1.17 CN(CCO)c1cccc(c1)Cl 88465db1fd69d56d6deff614fef03275 [0,2,0,0,0,0|2,0,0]=4 1283 B12R1.17 CN(CCO)c1cccc(c1)F a8bbe18437d5b67c291304f6e51174e1 [0,2,0,0,0,0|2,0,0]=4 1284 B12R1.17 CN(CCO)c1cccc(c1)I d744b91b919c38643f6814695e418d73 [0,2,0,0,0,0|2,0,0]=4 1285 B12R1.17 CN(CCS)c1cccc(c1)Br 6276545855ec60555b5ea66978905a02 [0,2,0,0,0,0|2,0,0]=4 1286 B12R1.17 CN(CCS)c1cccc(c1)Cl d6af42fa463d9692229bcb79ff28abc9 [0,2,0,0,0,0|2,0,0]=4 1287 B12R1.17 CN(CCS)c1cccc(c1)F 322e8c9340cbb2f9afbd3b83b310b4aa [0,2,0,0,0,0|2,0,0]=4 1288 B12R1.17 CN(CCS)c1cccc(c1)I c5da5a4c1631eccf7f5ec6f9a07b4855 [0,2,0,0,0,0|2,0,0]=4 1289 B12R1.17 COCN(C)c1cccc(c1)Br a0b6a01e8a8e903112d08a0ad1b791c6 [0,2,0,0,0,0|2,0,0]=4 1290 B12R1.17 COCN(C)c1cccc(c1)C 2630b7af0f24b4920d1bb44ad2a618b8 [0,2,0,0,0,0|2,0,0]=4 1291 B12R1.17 COCN(C)c1cccc(c1)Cl c412e0aedf878ea54434f0cf1a2ff9d0 [0,2,0,0,0,0|2,0,0]=4 1292 B12R1.17 COCN(C)c1cccc(c1)F 1625ecf140c7f5483d83bb16cd4a78c2 [0,2,0,0,0,0|2,0,0]=4 1293 B12R1.17 COCN(C)c1cccc(c1)I 783d0176762cb36e227b85f37b36850b [0,2,0,0,0,0|2,0,0]=4 1294 B12R1.17 CSCN(C)c1cccc(c1)Br 795a330043d197d455a0dbb4dd1faaeb [0,2,0,0,0,0|2,0,0]=4 1295 B12R1.17 CSCN(C)c1cccc(c1)C 188b9968f6619e59b627ae3886714e8c [0,2,0,0,0,0|2,0,0]=4 1296 B12R1.17 CSCN(C)c1cccc(c1)Cl efd04b0516ef59374bbc13602c9800ea [0,2,0,0,0,0|2,0,0]=4 1297 B12R1.17 CSCN(C)c1cccc(c1)F e8614a48c46dd0af03a86d07738bdaa7 [0,2,0,0,0,0|2,0,0]=4 1298 B12R1.17 CSCN(C)c1cccc(c1)I 255d6996cb175d8309fe361d85d8aa1e [0,2,0,0,0,0|2,0,0]=4 1299 B12R1.17 C[C@@H](NCF)c1cccc(c1)Br b6f8c9bd09110a695ab69e835a11528f [0,2,0,0,0,0|2,0,0]=4 1300 B12R1.17 C[C@@H](NCF)c1cccc(c1)Cl 51273893323908f404d0771452cfa891 [0,2,0,0,0,0|2,0,0]=4 1301 B12R1.17 C[C@@H](NCF)c1cccc(c1)F 8e7cfaa12936ce28fa901d54b1a42650 [0,2,0,0,0,0|2,0,0]=4 1302 B12R1.17 C[C@@H](NCO)c1cccc(c1)Br f4e23e99bc0af39389f5e820105091c6 [0,2,0,0,0,0|2,0,0]=4 1303 B12R1.17 C[C@@H](NCO)c1cccc(c1)Cl 66919fef6442a963feb11c547bf0f444 [0,2,0,0,0,0|2,0,0]=4 1304 B12R1.17 C[C@@H](NCO)c1cccc(c1)F af0a186842d46dc3d160d1d73b074e17 [0,2,0,0,0,0|2,0,0]=4 1305 B12R1.17 C[C@@H](OCF)c1cccc(c1)Br 3635f89a50b809c06e2b3cdfa5d2c51c [0,2,0,0,0,0|2,0,0]=4 1306 B12R1.17 C[C@@H](OCF)c1cccc(c1)Cl ce1b56b0348a5f75a7d08f4ba9a2645e [0,2,0,0,0,0|2,0,0]=4 1307 B12R1.17 C[C@@H](OCF)c1cccc(c1)F db90468b8247fcc2691f8c1eae8f3170 [0,2,0,0,0,0|2,0,0]=4 1308 B12R1.17 C[C@H](NCF)c1cccc(c1)Br db0a4e2e6a3386ecd680ff15bbff55b6 [0,2,0,0,0,0|2,0,0]=4 1309 B12R1.17 C[C@H](NCF)c1cccc(c1)Cl 78a93a48938be6d811aa015374bd3a25 [0,2,0,0,0,0|2,0,0]=4 1310 B12R1.17 C[C@H](NCF)c1cccc(c1)F cb191264be636045c991bc9d5d685235 [0,2,0,0,0,0|2,0,0]=4 1311 B12R1.17 C[C@H](NCF)c1cccc(c1)I 963cc0fd84e434cdb5fe81b0537c5306 [0,2,0,0,0,0|2,0,0]=4 1312 B12R1.17 C[C@H](NCO)c1cccc(c1)Br 7ca4ed875cb62977d0b3495961086da4 [0,2,0,0,0,0|2,0,0]=4 1313 B12R1.17 C[C@H](NCO)c1cccc(c1)Cl 4a94abc52fcba40074ffa13791de35e2 [0,2,0,0,0,0|2,0,0]=4 1314 B12R1.17 C[C@H](NCO)c1cccc(c1)F 26286d84a69bcd3442b2384f5cacf4e4 [0,2,0,0,0,0|2,0,0]=4 1315 B12R1.17 C[C@H](NCO)c1cccc(c1)I 427d824bfdf0564f5453d07d6cb7fc73 [0,2,0,0,0,0|2,0,0]=4 1316 B12R1.17 C[C@H](OCF)c1cccc(c1)Br e07701f3eb8039891a25d9669ca4f86f [0,2,0,0,0,0|2,0,0]=4 1317 B12R1.17 C[C@H](OCF)c1cccc(c1)Cl d4085536390541eae57a7cc1f385cabd [0,2,0,0,0,0|2,0,0]=4 1318 B12R1.17 C[C@H](OCF)c1cccc(c1)F c4be0bb49a60701d42d09cbffc2347d5 [0,2,0,0,0,0|2,0,0]=4 1319 B12R1.17 Cc1cccc(c1)C(C)NCF 7e3116c712611fefcdfd513800603318 [0,2,0,0,0,0|2,0,0]=4 1320 B12R1.17 Cc1cccc(c1)C(C)NCO 484ffc2c296fe00c0d77539815bedf5c [0,2,0,0,0,0|2,0,0]=4 1321 B12R1.17 Cc1cccc(c1)C(C)OCF 963db7b78a9268c2604a30dfb5ebd6c7 [0,2,0,0,0,0|2,0,0]=4 1322 B12R1.17 Cc1cccc(c1)N(C)CCO 57169823c45689d92231ab04b18b1e3d [0,2,0,0,0,0|2,0,0]=4 1323 B12R1.17 Cc1cccc(c1)[C@@H](C)NCF c486091fb8f9b65be6016b6eb85006ad [0,2,0,0,0,0|2,0,0]=4 1324 B12R1.17 Cc1cccc(c1)[C@@H](C)NCO 63ebfbb9109d04da9ae1a8c4632dbbee [0,2,0,0,0,0|2,0,0]=4 1325 B12R1.17 Cc1cccc(c1)[C@@H](C)OCF 1e508f4bbd9fe6fc7b8df0aa50acdaed [0,2,0,0,0,0|2,0,0]=4 1326 B12R1.17 Cc1cccc(c1)[C@H](C)NCF 0e7eb695a786eb23f0b219255d4a875f [0,2,0,0,0,0|2,0,0]=4 1327 B12R1.17 Cc1cccc(c1)[C@H](C)NCO 815974376dfce3e8219bd556a1e15106 [0,2,0,0,0,0|2,0,0]=4 1328 B12R1.17 Cc1cccc(c1)[C@H](C)OCF 936eb812ed1a822378b352f4016df5fc [0,2,0,0,0,0|2,0,0]=4 1329 B12R1.30 C#CCCN(C)c1ccccc1 26c0497305b10abd73ca8cb441cc00c7 [0,2,0,0,0,0|2,0,0]=4 1330 B12R1.30 C#CCNC(C)c1ccccc1 8ed5828c2e258c30367c2a46a0344f1e [0,2,0,0,0,0|1,0,1]=4 1331 B12R1.30 C#CCN[C@@H](C)c1ccccc1 c2e57a43b39094fb9cc8c5d89eda2aec [0,2,0,0,0,0|1,0,1]=4 1332 B12R1.30 C#CCN[C@H](C)c1ccccc1 0027d86dcd1350148f8559798567d252 [0,2,0,0,0,0|1,0,1]=4 1333 B12R1.30 C#CCOC(C)c1ccccc1 29a457d91187748bd9fba937b2dce22a [0,2,0,0,0,0|1,0,1]=4 1334 B12R1.30 C#CCO[C@@H](C)c1ccccc1 a17750258d0bbb03a82d71c12a4ef66f [0,2,0,0,0,0|1,0,1]=4 1335 B12R1.30 C#CCO[C@H](C)c1ccccc1 daa23676a75f018b9eb1a615337c3d8a [0,2,0,0,0,0|1,0,1]=4 1336 B12R1.30 C/C=C/CN(C)c1ccccc1 6aca716f56cd50a3277e1a725da6237c [0,2,0,0,0,0|2,0,0]=4 1337 B12R1.30 C/C=C\CN(C)c1ccccc1 bf0cb6abe4ab1c9a8756fb864f282d12 [0,2,0,0,0,0|2,0,0]=4 1338 B12R1.30 C=C(COCC)c1ccccc1 e1174170fb735530ed2c07509ad0f64f [0,2,0,0,0,0|1,0,1]=4 1339 B12R1.30 C=C(COCF)c1ccccc1 7f9b3146156f36d50e79417005ca927c [0,2,0,0,0,0|1,0,1]=4 1340 B12R1.30 C=CCCN(C)c1ccccc1 a374f5bd2d62273d4657e1e6ebbd42ca [0,2,0,0,0,0|2,0,0]=4 1341 B12R1.30 C=CCNC(C)c1ccccc1 fa2a8c61f42c61d4674c5e223d49122c [0,2,0,0,0,0|1,0,1]=4 1342 B12R1.30 C=CCN[C@@H](C)c1ccccc1 600f83b5cdc08e60e339b69a1a0c1bbe [0,2,0,0,0,0|1,0,1]=4 1343 B12R1.30 C=CCN[C@H](C)c1ccccc1 d607bf8a84d857931725e26673643b18 [0,2,0,0,0,0|1,0,1]=4 1344 B12R1.30 C=CCOC(C)c1ccccc1 8044d3406b23fdabe4ad5833cf2a8d4b [0,2,0,0,0,0|1,0,1]=4 1345 B12R1.30 C=CCO[C@@H](C)c1ccccc1 a727c5edd06769bc0527d3d68934d138 [0,2,0,0,0,0|1,0,1]=4 1346 B12R1.30 C=CCO[C@H](C)c1ccccc1 ff3f82ad85551dde7fcd068107420df1 [0,2,0,0,0,0|1,0,1]=4 1347 B12R1.30 CC(CNC#N)c1ccccc1 d5f4eb607db5752f9711ebcab25281e7 [0,2,0,0,0,0|1,0,1]=4 1348 B12R1.30 CC(CNC=O)c1ccccc1 383885393da95737b5a43ceb7230b818 [0,2,0,0,0,0|1,0,1]=4 1349 B12R1.30 CC(CNCF)c1ccccc1 5f1d9fd84074424c65197fad8c2e5513 [0,2,0,0,0,0|1,0,0]=3 1350 B12R1.30 CC(CNCO)c1ccccc1 462ae9832b5de19cce882c0427ce8c7b [0,2,0,0,0,0|1,0,0]=3 1351 B12R1.30 CC(COCF)c1ccccc1 c129742ad0b3dcb07ba4c78eb9851e3b [0,2,0,0,0,0|1,0,0]=3 1352 B12R1.30 CC(COCF)c1ccccn1 cadf5699bf3656449a20b6c87901461e [0,2,0,0,0,0|2,0,0]=4 1353 B12R1.30 CC(NCC#N)c1ccccc1 85ca8869c6ae0debccfd66d74dfbe1ee [0,2,0,0,0,0|1,0,1]=4 1354 B12R1.30 CC(NCC=O)c1ccccc1 d9b90894b15660347d656ab520d55286 [0,2,0,0,0,0|1,0,1]=4 1355 B12R1.30 CC(NCCF)c1ccccc1 a4890edd7f21677f225a27bfc036a9e4 [0,2,0,0,0,0|1,0,0]=3 1356 B12R1.30 CC(NCCF)c1ccccn1 e4b3c22db6493feb1d8ba5ab52abe2b7 [0,2,0,0,0,0|2,0,0]=4 1357 B12R1.30 CC(NCCF)c1cccnc1 98453ca856fdce67138eff6b8a58632f [0,2,0,0,0,0|2,0,0]=4 1358 B12R1.30 CC(NCCF)c1ccncc1 d00a6ddb58ca2888baf35eb5f7d83ab7 [0,2,0,0,0,0|2,0,0]=4 1359 B12R1.30 CC(NCCO)c1ccccc1 15ebe2893003a0c55ecacb3da2e2c5b8 [0,2,0,0,0,0|1,0,0]=3 1360 B12R1.30 CC(NCCO)c1ccccn1 1f2512975bc0cda2de4ebeb90f7dc4c3 [0,2,0,0,0,0|2,0,0]=4 1361 B12R1.30 CC(NCCO)c1cccnc1 835f2191033f26e623aa2f33664ce4a3 [0,2,0,0,0,0|2,0,0]=4 1362 B12R1.30 CC(NCCO)c1ccncc1 406a87a9f7a46ead1517264ef12a0a00 [0,2,0,0,0,0|2,0,0]=4 1363 B12R1.30 CC(NCCS)c1ccccc1 c90c5f78811b5a3e744fa24aabe1d478 [0,2,0,0,0,0|1,0,0]=3 1364 B12R1.30 CC(NCCS)c1ccccn1 bc977812ec4257d304ab2ebe4f44b33d [0,2,0,0,0,0|2,0,0]=4 1365 B12R1.30 CC(NCCS)c1cccnc1 b6e72c7d872edae9d7608a5511e2393b [0,2,0,0,0,0|2,0,0]=4 1366 B12R1.30 CC(NCCS)c1ccncc1 7849a27ddacacf00980844a9b4c95f39 [0,2,0,0,0,0|2,0,0]=4 1367 B12R1.30 CC(OCC#N)c1ccccc1 1ec1dc9da1f2b2c8e841a4b7ee7f537f [0,2,0,0,0,0|1,0,1]=4 1368 B12R1.30 CC(OCC=O)c1ccccc1 5c4b88cbd6ba661cea0ad67f126d3e82 [0,2,0,0,0,0|1,0,1]=4 1369 B12R1.30 CC(OCCF)c1ccccc1 296004c8a3c297153de64ff701a708ab [0,2,0,0,0,0|1,0,0]=3 1370 B12R1.30 CC(OCCF)c1ccccn1 1e34d1fd3e0ec6ea60da54fdaef9c85f [0,2,0,0,0,0|2,0,0]=4 1371 B12R1.30 CC(OCCF)c1cccnc1 98746f7ef16d61be172e1b4730ee6c59 [0,2,0,0,0,0|2,0,0]=4 1372 B12R1.30 CC(OCCF)c1ccncc1 2fd99a52aa1b5385b3d4e118d8f00646 [0,2,0,0,0,0|2,0,0]=4 1373 B12R1.30 CC(OCCS)c1ccccc1 8a2d25daddbc7e25b5ea41349af0bdcf [0,2,0,0,0,0|1,0,0]=3 1374 B12R1.30 CC(OCCS)c1ccccn1 6fa6a7898d0d08fa2306db1213a20785 [0,2,0,0,0,0|2,0,0]=4 1375 B12R1.30 CC(OCCS)c1cccnc1 f4e3b8480b601c42b0835714b4b72018 [0,2,0,0,0,0|2,0,0]=4 1376 B12R1.30 CC(OCCS)c1ccncc1 85b5e549ddd47782d9dcd4ed95346b84 [0,2,0,0,0,0|2,0,0]=4 1377 B12R1.30 CCCCN(C)c1ccccc1 5138c426816999d109cc4a6b536acc57 [0,2,0,0,0,0|2,0,0]=4 1378 B12R1.30 CCCNC(=O)c1ccccc1 17d55bfe3f14492436164da3d0c80e57 [0,2,0,0,0,0|0,0,2]=4 1379 B12R1.30 CCCNC(C)c1ccccc1 37d48536a03c5d64ae70e596dd73ed85 [0,2,0,0,0,0|1,0,0]=3 1380 B12R1.30 CCCNC(C)c1ccccn1 cc14fd04410800b4bd6435a8ddd3bb22 [0,2,0,0,0,0|2,0,0]=4 1381 B12R1.30 CCCNC(C)c1cccnc1 ad711bb62eeb1aee43dc7dd8f93d36ef [0,2,0,0,0,0|2,0,0]=4 1382 B12R1.30 CCCNC(C)c1ccncc1 5bbf0ec17de63181b9f984c6ee459099 [0,2,0,0,0,0|2,0,0]=4 1383 B12R1.30 CCCN[C@@H](C)c1ccccc1 604408ade040f4a9c55069b166a57921 [0,2,0,0,0,0|1,0,0]=3 1384 B12R1.30 CCCN[C@@H](C)c1ccccn1 03c5378eb87bcbab461643e14036da7b [0,2,0,0,0,0|2,0,0]=4 1385 B12R1.30 CCCN[C@@H](C)c1cccnc1 ebfd88cd08246c9c4c8dd5665a36e4de [0,2,0,0,0,0|2,0,0]=4 1386 B12R1.30 CCCN[C@@H](C)c1ccncc1 247a85b98e9473b8ba80ebe1aa76666d [0,2,0,0,0,0|2,0,0]=4 1387 B12R1.30 CCCN[C@H](C)c1ccccc1 b93dc36e1ac43b4dfb18fc821dba383a [0,2,0,0,0,0|1,0,0]=3 1388 B12R1.30 CCCN[C@H](C)c1ccccn1 b254cf125be5ff667ba0c27b98f7399e [0,2,0,0,0,0|2,0,0]=4 1389 B12R1.30 CCCN[C@H](C)c1cccnc1 336ef7d0edfb76e914cc3e6724738449 [0,2,0,0,0,0|2,0,0]=4 1390 B12R1.30 CCCN[C@H](C)c1ccncc1 c38d0e044de489d76af7664dba013771 [0,2,0,0,0,0|2,0,0]=4 1391 B12R1.30 CCCOC(C)c1ccccc1 b3e8a20aaf9fee6fd90ba3c942d17cbb [0,2,0,0,0,0|1,0,0]=3 1392 B12R1.30 CCCOC(C)c1ccccn1 b39d3fe2e04295201526414ffb8b346f [0,2,0,0,0,0|2,0,0]=4 1393 B12R1.30 CCCOC(C)c1cccnc1 b4a5c4f0d8d2d6a3dec1c8ec47f4f20f [0,2,0,0,0,0|2,0,0]=4 1394 B12R1.30 CCCOC(C)c1ccncc1 23b85e46df5ec55325d031745f8d75b2 [0,2,0,0,0,0|2,0,0]=4 1395 B12R1.30 CCCO[C@@H](C)c1ccccc1 b5a89a5e2269c078fad9874c053ef84d [0,2,0,0,0,0|1,0,0]=3 1396 B12R1.30 CCCO[C@@H](C)c1ccccn1 180a656c513628a596211eb51193e51c [0,2,0,0,0,0|2,0,0]=4 1397 B12R1.30 CCCO[C@@H](C)c1cccnc1 a6442581c5df29535d93cb8f5fa5694f [0,2,0,0,0,0|2,0,0]=4 1398 B12R1.30 CCCO[C@@H](C)c1ccncc1 f346339788fa1f3b54ec1b08208e6598 [0,2,0,0,0,0|2,0,0]=4 1399 B12R1.30 CCCO[C@H](C)c1ccccc1 ae53c06444379dfac4167ac84138cfb9 [0,2,0,0,0,0|1,0,0]=3 1400 B12R1.30 CCCO[C@H](C)c1ccccn1 59ae42f1d2cbb8cb8fe36530c47f41d1 [0,2,0,0,0,0|2,0,0]=4 1401 B12R1.30 CCCO[C@H](C)c1cccnc1 fec7058011aa3e2c96cfd1d3b525aa6e [0,2,0,0,0,0|2,0,0]=4 1402 B12R1.30 CCCO[C@H](C)c1ccncc1 cb8ccc8bc89fedd96f0e6231288da52e [0,2,0,0,0,0|2,0,0]=4 1403 B12R1.30 CCNCC(=O)c1ccccc1 120782ba76f814e86bdef32896186f08 [0,2,0,0,0,0|0,0,2]=4 1404 B12R1.30 CCNCC(C)c1ccccc1 9cbf919020878038d0809e43f1be15bb [0,2,0,0,0,0|1,0,0]=3 1405 B12R1.30 CCNCC(O)c1ccccc1 2c7684bc90e6b6f2eb9cc788b34e49e9 [0,2,0,0,0,0|0,0,0]=2 1406 B12R1.30 CCNCC(O)c1ccccn1 6b1c434bb8a1b8b261ec43b19c8a9bde [0,2,0,0,0,0|1,0,0]=3 1407 B12R1.30 CCNCC(O)c1cccnc1 855e09cd2dd0a891326c5d3074b7ce5d [0,2,0,0,0,0|1,0,0]=3 1408 B12R1.30 CCNCC(O)c1ccncc1 3f7210030fe9a0f2bae5b80e88f85abe [0,2,0,0,0,0|1,0,0]=3 1409 B12R1.30 CCNC[C@@H](C)c1ccccc1 6865a599cc7f5b285bd8c007b28c9b34 [0,2,0,0,0,0|1,0,0]=3 1410 B12R1.30 CCNC[C@@H](O)c1ccccc1 1fa8d71540df38b9b8cbd54368ff1949 [0,2,0,0,0,0|0,0,0]=2 1411 B12R1.30 CCNC[C@H](C)c1ccccc1 ff4ae3e1c0acb37fe8ab1f33c54ee87a [0,2,0,0,0,0|1,0,0]=3 1412 B12R1.30 CCNC[C@H](O)c1ccccc1 a3ad7a2afde7d6051248f34aaf7ade1e [0,2,0,0,0,0|0,0,0]=2 1413 B12R1.30 CCOCC(=O)c1ccccc1 d10a1656db1ce15c4b0e7531fc2ce741 [0,2,0,0,0,0|0,0,2]=4 1414 B12R1.30 CCOCC(C)c1ccccc1 7d0863132e6f64e2e8f3b829c1ba4213 [0,2,0,0,0,0|1,0,0]=3 1415 B12R1.30 CCOCC(C)c1ccccn1 2d50cc0927617393348c2ce87012ad45 [0,2,0,0,0,0|2,0,0]=4 1416 B12R1.30 CCOC[C@@H](C)c1ccccc1 5d4adf02715a7dc88fd8e9ed1c1ccac0 [0,2,0,0,0,0|1,0,0]=3 1417 B12R1.30 CCOC[C@H](C)c1ccccc1 71da89b37784dc3a33c9c6970d6f6435 [0,2,0,0,0,0|1,0,0]=3 1418 B12R1.30 CN(CCC#N)c1ccccc1 23b443fbe6fd49c306bece79b166b6d1 [0,2,0,0,0,0|2,0,0]=4 1419 B12R1.30 CN(CCC=O)c1ccccc1 9715602a2b8ce4ca6f6ceb5c71eca01f [0,2,0,0,0,0|2,0,0]=4 1420 B12R1.30 CN(CCCF)c1ccccc1 721389a2fe3a1bc3a7ab8adcc61dc5ff [0,2,0,0,0,0|2,0,0]=4 1421 B12R1.30 CN(CCCO)c1ccccc1 99b9f18cd67ae7ad12fedc7e34599859 [0,2,0,0,0,0|2,0,0]=4 1422 B12R1.30 CN(CCON)c1ccccc1 94cf645c4c77140e45852773a65b7658 [0,2,0,0,0,0|2,0,0]=4 1423 B12R1.30 COCCN(C)c1ccccc1 f88ab3abd109b8d6e952f5ff5bda6892 [0,2,0,0,0,0|2,0,0]=4 1424 B12R1.30 COCNC(C)c1ccccc1 da3a97833b329d52bf380d21525de137 [0,2,0,0,0,0|1,0,0]=3 1425 B12R1.30 COCNC(C)c1ccccn1 22800b3ec5673e703cef9baf9917e3d2 [0,2,0,0,0,0|2,0,0]=4 1426 B12R1.30 COCNC(C)c1cccnc1 3b8f3215bb671696fda56e94e8674604 [0,2,0,0,0,0|2,0,0]=4 1427 B12R1.30 COCNC(C)c1ccncc1 557d89b6b89aa64ab92cee16216fefd4 [0,2,0,0,0,0|2,0,0]=4 1428 B12R1.30 COCN[C@@H](C)c1ccccc1 b0afc671726e2aa3bbf25811f588d87b [0,2,0,0,0,0|1,0,0]=3 1429 B12R1.30 COCN[C@@H](C)c1ccccn1 4145c37cf98927207d4b903c5b8dd837 [0,2,0,0,0,0|2,0,0]=4 1430 B12R1.30 COCN[C@@H](C)c1cccnc1 00ed3ee3fdd3eacbaf23a145cc56829b [0,2,0,0,0,0|2,0,0]=4 1431 B12R1.30 COCN[C@@H](C)c1ccncc1 e5771889fddafddb835b8e40a4924887 [0,2,0,0,0,0|2,0,0]=4 1432 B12R1.30 COCN[C@H](C)c1ccccc1 9e08f5d5391d04ef9dca8846d7c418b1 [0,2,0,0,0,0|1,0,0]=3 1433 B12R1.30 COCN[C@H](C)c1ccccn1 2342d53c6195e8ed5385640c40678800 [0,2,0,0,0,0|2,0,0]=4 1434 B12R1.30 COCN[C@H](C)c1cccnc1 221f90621b3face8d5ddf0399a64c75b [0,2,0,0,0,0|2,0,0]=4 1435 B12R1.30 COCN[C@H](C)c1ccncc1 e601f1926d8106e5694f3b267e229bd9 [0,2,0,0,0,0|2,0,0]=4 1436 B12R1.30 COCOC(C)c1ccccc1 0b1f9c9cdb2cc63a37919c47ba14afe7 [0,2,0,0,0,0|1,0,0]=3 1437 B12R1.30 COCOC(C)c1ccccn1 96e3f8673063db846b1328064926b8e5 [0,2,0,0,0,0|2,0,0]=4 1438 B12R1.30 COCOC(C)c1cccnc1 643684e61fedf53617fedae92fa75424 [0,2,0,0,0,0|2,0,0]=4 1439 B12R1.30 COCOC(C)c1ccncc1 e713cf3a963edba7c0b8cf8e46dda145 [0,2,0,0,0,0|2,0,0]=4 1440 B12R1.30 COCO[C@@H](C)c1ccccc1 4f223b91f36fa3bfe971e90568b0e3b0 [0,2,0,0,0,0|1,0,0]=3 1441 B12R1.30 COCO[C@@H](C)c1ccccn1 2377670b88698f2edbc70d4e18de68ac [0,2,0,0,0,0|2,0,0]=4 1442 B12R1.30 COCO[C@@H](C)c1cccnc1 17fd6c5b51edf6fabed3ef2792222607 [0,2,0,0,0,0|2,0,0]=4 1443 B12R1.30 COCO[C@@H](C)c1ccncc1 1238319c035b42c93f1000c64c766fa2 [0,2,0,0,0,0|2,0,0]=4 1444 B12R1.30 COCO[C@H](C)c1ccccc1 ba83963d37e25f49896a3a9bad50ab4f [0,2,0,0,0,0|1,0,0]=3 1445 B12R1.30 COCO[C@H](C)c1ccccn1 458a21f21c67e992b19f7c56288b02ea [0,2,0,0,0,0|2,0,0]=4 1446 B12R1.30 COCO[C@H](C)c1cccnc1 34e6426da9f6f855e9b1fb3a0535c51c [0,2,0,0,0,0|2,0,0]=4 1447 B12R1.30 COCO[C@H](C)c1ccncc1 c5dbb60f43a9a1932fd8194dbc2609ff [0,2,0,0,0,0|2,0,0]=4 1448 B12R1.30 CSCCN(C)c1ccccc1 e519282dbdf6c8d213fc611d45219205 [0,2,0,0,0,0|2,0,0]=4 1449 B12R1.30 CSCNC(C)c1ccccc1 6f92386efe5ddba474bf8f6e5b5463ff [0,2,0,0,0,0|1,0,0]=3 1450 B12R1.30 CSCNC(C)c1ccccn1 ddb2d3f894b38cfc3c20828a85d8aeba [0,2,0,0,0,0|2,0,0]=4 1451 B12R1.30 CSCNC(C)c1cccnc1 2e0743aa860df3163cd3f12a82516611 [0,2,0,0,0,0|2,0,0]=4 1452 B12R1.30 CSCNC(C)c1ccncc1 bfc882e0574003d357950d811bfc98b0 [0,2,0,0,0,0|2,0,0]=4 1453 B12R1.30 CSCN[C@@H](C)c1ccccc1 845e66030d932d6618c275454e4a088a [0,2,0,0,0,0|1,0,0]=3 1454 B12R1.30 CSCN[C@@H](C)c1ccccn1 4dfba9ca9a55cc8822f57f2605ede0af [0,2,0,0,0,0|2,0,0]=4 1455 B12R1.30 CSCN[C@@H](C)c1cccnc1 729bc01cb93be8b0ea771ba31754f9b1 [0,2,0,0,0,0|2,0,0]=4 1456 B12R1.30 CSCN[C@@H](C)c1ccncc1 3bcd404ccd396fcd1d4069a1e2a00eaf [0,2,0,0,0,0|2,0,0]=4 1457 B12R1.30 CSCN[C@H](C)c1ccccc1 30f91454a02398d41f15145ae4807b21 [0,2,0,0,0,0|1,0,0]=3 1458 B12R1.30 CSCN[C@H](C)c1ccccn1 b34c76b9aa83c7d60db5d09418063e93 [0,2,0,0,0,0|2,0,0]=4 1459 B12R1.30 CSCN[C@H](C)c1cccnc1 b29cfc0205d006d4bc36dce8931937fb [0,2,0,0,0,0|2,0,0]=4 1460 B12R1.30 CSCN[C@H](C)c1ccncc1 9076c4b90e14f3ba1dffc47b940741d0 [0,2,0,0,0,0|2,0,0]=4 1461 B12R1.30 CSCOC(C)c1ccccc1 641ae777302bb1952ab6a4af8532f275 [0,2,0,0,0,0|1,0,0]=3 1462 B12R1.30 CSCOC(C)c1ccccn1 3962a04da2204a1cf7830ac87133888a [0,2,0,0,0,0|2,0,0]=4 1463 B12R1.30 CSCOC(C)c1cccnc1 506088ce45beb9c36ff46608da654d32 [0,2,0,0,0,0|2,0,0]=4 1464 B12R1.30 CSCOC(C)c1ccncc1 7ce593b87d9d6445cabbd9c7e4a9cecc [0,2,0,0,0,0|2,0,0]=4 1465 B12R1.30 CSCO[C@@H](C)c1ccccc1 4fac534708704f5d5e3429eb46cba8d5 [0,2,0,0,0,0|1,0,0]=3 1466 B12R1.30 CSCO[C@@H](C)c1ccccn1 e9e6ffeb6ad8c32ddf7c2cb22d9b25ee [0,2,0,0,0,0|2,0,0]=4 1467 B12R1.30 CSCO[C@@H](C)c1cccnc1 6799e68b88695adbe9845652e8cf13f8 [0,2,0,0,0,0|2,0,0]=4 1468 B12R1.30 CSCO[C@@H](C)c1ccncc1 3e71fd0162eefef395d929c84a37af2d [0,2,0,0,0,0|2,0,0]=4 1469 B12R1.30 CSCO[C@H](C)c1ccccc1 6e65c7d8640db47c99545e1f59d710dc [0,2,0,0,0,0|1,0,0]=3 1470 B12R1.30 CSCO[C@H](C)c1ccccn1 0ecacf74edbb4be90693870fe439bf49 [0,2,0,0,0,0|2,0,0]=4 1471 B12R1.30 CSCO[C@H](C)c1cccnc1 730885ff2e1d3d49743ef910d1431b30 [0,2,0,0,0,0|2,0,0]=4 1472 B12R1.30 CSCO[C@H](C)c1ccncc1 ffb348d899af6643c368889d3ed9e037 [0,2,0,0,0,0|2,0,0]=4 1473 B12R1.30 C[C@@H](CNC=O)c1ccccc1 4fd65e091e214d9221c262810e411c80 [0,2,0,0,0,0|1,0,1]=4 1474 B12R1.30 C[C@@H](CNCF)c1ccccc1 796d7cc72a99b25de3cd91eec937f176 [0,2,0,0,0,0|1,0,0]=3 1475 B12R1.30 C[C@@H](CNCO)c1ccccc1 742ee8e739f2ff7dbfa020bf6612568d [0,2,0,0,0,0|1,0,0]=3 1476 B12R1.30 C[C@@H](COCF)c1ccccc1 3ef1be7494a491550febb3ea126e0341 [0,2,0,0,0,0|1,0,0]=3 1477 B12R1.30 C[C@@H](NCC#N)c1ccccc1 79a0e920b4d897eb15d12e8b6b71cbe9 [0,2,0,0,0,0|1,0,1]=4 1478 B12R1.30 C[C@@H](NCC=O)c1ccccc1 de3c0d8a847d9265ee59861806469e38 [0,2,0,0,0,0|1,0,1]=4 1479 B12R1.30 C[C@@H](NCCF)c1ccccc1 6855a77d5eca1f1b4bab257a19ad71b3 [0,2,0,0,0,0|1,0,0]=3 1480 B12R1.30 C[C@@H](NCCF)c1ccccn1 154a8f5306674b5b4fb86554624d8f02 [0,2,0,0,0,0|2,0,0]=4 1481 B12R1.30 C[C@@H](NCCF)c1cccnc1 12f73e5e559ab85e5122e1a81e53b390 [0,2,0,0,0,0|2,0,0]=4 1482 B12R1.30 C[C@@H](NCCF)c1ccncc1 f4597ee5de5808cd0436c64921b79837 [0,2,0,0,0,0|2,0,0]=4 1483 B12R1.30 C[C@@H](NCCO)c1ccccc1 4d75c0848045c856d6629664b5c37bb2 [0,2,0,0,0,0|1,0,0]=3 1484 B12R1.30 C[C@@H](NCCO)c1ccccn1 0a16ea94a018ff0b30ce209917ed1b9a [0,2,0,0,0,0|2,0,0]=4 1485 B12R1.30 C[C@@H](NCCO)c1cccnc1 b66a1d2b51096a933fc11fef30758fa0 [0,2,0,0,0,0|2,0,0]=4 1486 B12R1.30 C[C@@H](NCCO)c1ccncc1 0c6f3025e3de9b3aae5ed17757ac9746 [0,2,0,0,0,0|2,0,0]=4 1487 B12R1.30 C[C@@H](NCCS)c1ccccc1 f68ec1897d41d2f78889d11e1a576659 [0,2,0,0,0,0|1,0,0]=3 1488 B12R1.30 C[C@@H](NCCS)c1ccccn1 3c328d281ac093addd2e4f5b2a08326f [0,2,0,0,0,0|2,0,0]=4 1489 B12R1.30 C[C@@H](NCCS)c1cccnc1 cdf27954c484f85825d6a106da8327f4 [0,2,0,0,0,0|2,0,0]=4 1490 B12R1.30 C[C@@H](NCCS)c1ccncc1 564280d12a7e5487659e2ce4d5b8772c [0,2,0,0,0,0|2,0,0]=4 1491 B12R1.30 C[C@@H](OCC#N)c1ccccc1 b7bf8cbcee7c14c575bc4d4a84868d53 [0,2,0,0,0,0|1,0,1]=4 1492 B12R1.30 C[C@@H](OCC=O)c1ccccc1 2ac21f5d0549ec288424cc0d2265d67c [0,2,0,0,0,0|1,0,1]=4 1493 B12R1.30 C[C@@H](OCCF)c1ccccc1 203a44e775c1adfe6a43ad6321e3d4aa [0,2,0,0,0,0|1,0,0]=3 1494 B12R1.30 C[C@@H](OCCF)c1ccccn1 306dcb258e36cc782fdcf000c106db6f [0,2,0,0,0,0|2,0,0]=4 1495 B12R1.30 C[C@@H](OCCF)c1cccnc1 6a3742b6aeb10bfd8630f9322804c184 [0,2,0,0,0,0|2,0,0]=4 1496 B12R1.30 C[C@@H](OCCF)c1ccncc1 9ca8f057b584d7865baf30c9804c1471 [0,2,0,0,0,0|2,0,0]=4 1497 B12R1.30 C[C@@H](OCCS)c1ccccc1 831161e77b199edd57098275b43b0190 [0,2,0,0,0,0|1,0,0]=3 1498 B12R1.30 C[C@@H](OCCS)c1ccccn1 00966c93f3a32971e22b816f853a389e [0,2,0,0,0,0|2,0,0]=4 1499 B12R1.30 C[C@@H](OCCS)c1cccnc1 d6da99f8c2b9434d3cc09ce712188144 [0,2,0,0,0,0|2,0,0]=4 1500 B12R1.30 C[C@@H](OCCS)c1ccncc1 8b78a7064bd055cef5a899538bcf5919 [0,2,0,0,0,0|2,0,0]=4 1501 B12R1.30 C[C@H](CNC#N)c1ccccc1 82cbedd68be846042bfc1a0fd0ff5ef2 [0,2,0,0,0,0|1,0,1]=4 1502 B12R1.30 C[C@H](CNC=O)c1ccccc1 d012ad42959d735a95ee99ba7191a36d [0,2,0,0,0,0|1,0,1]=4 1503 B12R1.30 C[C@H](CNCF)c1ccccc1 b55b7c71b6efb4d2ef804c8c8ecd1876 [0,2,0,0,0,0|1,0,0]=3 1504 B12R1.30 C[C@H](CNCO)c1ccccc1 348e8a14ee3f664d50cb7fb06a3ca693 [0,2,0,0,0,0|1,0,0]=3 1505 B12R1.30 C[C@H](COCF)c1ccccc1 dfac0c7125baf2c94bf4011a8539eabb [0,2,0,0,0,0|1,0,0]=3 1506 B12R1.30 C[C@H](NCC#N)c1ccccc1 04ab453e311f4e57bddb16b9d73b093d [0,2,0,0,0,0|1,0,1]=4 1507 B12R1.30 C[C@H](NCC=O)c1ccccc1 a3dc214a4fba86b355b0ede6b011be4e [0,2,0,0,0,0|1,0,1]=4 1508 B12R1.30 C[C@H](NCCF)c1ccccc1 da1d01952688d248cad72e73d81548b6 [0,2,0,0,0,0|1,0,0]=3 1509 B12R1.30 C[C@H](NCCF)c1ccccn1 f1507c4498e0ea85ccdeaef26b852927 [0,2,0,0,0,0|2,0,0]=4 1510 B12R1.30 C[C@H](NCCF)c1cccnc1 a8765c66d7cc17b491f189e0f6d31357 [0,2,0,0,0,0|2,0,0]=4 1511 B12R1.30 C[C@H](NCCF)c1ccncc1 818b9216bea5b63acbbe621c04908250 [0,2,0,0,0,0|2,0,0]=4 1512 B12R1.30 C[C@H](NCCO)c1ccccc1 1afbfcd53073af538ea2805bff509aa6 [0,2,0,0,0,0|1,0,0]=3 1513 B12R1.30 C[C@H](NCCO)c1ccccn1 c2fd11dd9f27b634fcee9eaeb69b256c [0,2,0,0,0,0|2,0,0]=4 1514 B12R1.30 C[C@H](NCCO)c1cccnc1 5061f6c061f5b5de0c552bc3e5115a0f [0,2,0,0,0,0|2,0,0]=4 1515 B12R1.30 C[C@H](NCCO)c1ccncc1 83f16c2381f34da6933a2e2726904426 [0,2,0,0,0,0|2,0,0]=4 1516 B12R1.30 C[C@H](NCCS)c1ccccc1 8f0e850ed93fd86c5c98f711b3615cfc [0,2,0,0,0,0|1,0,0]=3 1517 B12R1.30 C[C@H](NCCS)c1ccccn1 f4973bc66b9f31efb5fdc29911ab6563 [0,2,0,0,0,0|2,0,0]=4 1518 B12R1.30 C[C@H](NCCS)c1cccnc1 6cbc88044740d67f6693a909702392fa [0,2,0,0,0,0|2,0,0]=4 1519 B12R1.30 C[C@H](NCCS)c1ccncc1 be1bb3fedabbd57cd88d469223ee956b [0,2,0,0,0,0|2,0,0]=4 1520 B12R1.30 C[C@H](OCC#N)c1ccccc1 dec9f32ff56faa2d18e3e3c1709f800a [0,2,0,0,0,0|1,0,1]=4 1521 B12R1.30 C[C@H](OCC=O)c1ccccc1 00d569f48b2d6afec7a482be4dffe552 [0,2,0,0,0,0|1,0,1]=4 1522 B12R1.30 C[C@H](OCCF)c1ccccc1 c0748435be7f607898a504b3471e7402 [0,2,0,0,0,0|1,0,0]=3 1523 B12R1.30 C[C@H](OCCF)c1ccccn1 eb41a7ae9bfefe79c79492164ee8d675 [0,2,0,0,0,0|2,0,0]=4 1524 B12R1.30 C[C@H](OCCF)c1cccnc1 56b5df1d6daccd65bac8f52b25674d64 [0,2,0,0,0,0|2,0,0]=4 1525 B12R1.30 C[C@H](OCCF)c1ccncc1 3c1b0c9b96f911a2c92d45ec8c7e7146 [0,2,0,0,0,0|2,0,0]=4 1526 B12R1.30 C[C@H](OCCS)c1ccccc1 37922141bea6d1cffd84b12460e94096 [0,2,0,0,0,0|1,0,0]=3 1527 B12R1.30 C[C@H](OCCS)c1ccccn1 065ed8aaf45ef6ab5be60abd14e2bec7 [0,2,0,0,0,0|2,0,0]=4 1528 B12R1.30 C[C@H](OCCS)c1cccnc1 5d1eb8a0b2f3130d914871e9f0d962e5 [0,2,0,0,0,0|2,0,0]=4 1529 B12R1.30 C[C@H](OCCS)c1ccncc1 78167650c274e1c0818cb36619849a6d [0,2,0,0,0,0|2,0,0]=4 1530 B12R1.30 N#CNCC(O)c1ccccc1 9720d365060a0fcf7ba83a373e380727 [0,2,0,0,0,0|0,0,1]=3 1531 B12R1.30 O=C(CNCF)c1ccccc1 b008ddf68ca6c6ff7ea37d0a87275ccd [0,2,0,0,0,0|0,0,2]=4 1532 B12R1.30 O=C(CNCO)c1ccccc1 1f6ea0716cbea011ade59a66de8cfc95 [0,2,0,0,0,0|0,0,2]=4 1533 B12R1.30 O=C(COCF)c1ccccc1 1a03c575b01170f76330974774069cf7 [0,2,0,0,0,0|0,0,2]=4 1534 B12R1.30 O=C(NCCBr)c1ccccc1 7c87b4242707692635884c6b6fcd4df1 [0,2,0,0,0,0|0,0,2]=4 1535 B12R1.30 O=C(NCCF)c1ccccc1 e638ffad58379d89848ae9345da1475d [0,2,0,0,0,0|0,0,2]=4 1536 B12R1.30 O=C(NCCI)c1ccccc1 f9da4089887204671775e3bd8a7c2cbe [0,2,0,0,0,0|0,0,2]=4 1537 B12R1.30 O=C(NCCO)c1ccccc1 d034a5a3334662fbb2c17b7d9b92b751 [0,2,0,0,0,0|0,0,2]=4 1538 B12R1.30 O=C(NCCS)c1ccccc1 0eed267da0c4369b9172240aa5aa6bce [0,2,0,0,0,0|0,0,2]=4 1539 B12R1.30 O=CNCC(O)c1ccccc1 bd6972d51445a44c3965cbebc4bd5db7 [0,2,0,0,0,0|0,0,1]=3 1540 B12R1.30 O=CNCC(O)c1ccccn1 f74fbe719d6356bfc273d26f7795d584 [0,2,0,0,0,0|1,0,1]=4 1541 B12R1.30 O=CNCC(O)c1cccnc1 649ef114aa6b94c66d68f5702aa02ff0 [0,2,0,0,0,0|1,0,1]=4 1542 B12R1.30 O=CNCC(O)c1ccncc1 84598c4a8b9207c0e76a904644972bf2 [0,2,0,0,0,0|1,0,1]=4 1543 B12R1.30 O=CNC[C@@H](O)c1ccccc1 d65458916acffc3e27ffc1f7d36d329e [0,2,0,0,0,0|0,0,1]=3 1544 B12R1.30 O=CNC[C@H](O)c1ccccc1 f93baa496dc07ecacf88304e0a316c36 [0,2,0,0,0,0|0,0,1]=3 1545 B12R1.30 OC(CNCF)c1ccccc1 dadff12dfa7b072497d1230db84a7ab0 [0,2,0,0,0,0|0,0,0]=2 1546 B12R1.30 OC(CNCF)c1ccccn1 28b23d2b21264b95b0a73626d3ab73c9 [0,2,0,0,0,0|1,0,0]=3 1547 B12R1.30 OC(CNCF)c1cccnc1 cf35ee8aac22551332adc042d29300c0 [0,2,0,0,0,0|1,0,0]=3 1548 B12R1.30 OC(CNCF)c1ccncc1 0e2adfe79ee4a1ae9e152358d2961a9a [0,2,0,0,0,0|1,0,0]=3 1549 B12R1.30 OCNCC(O)c1ccccc1 a1873e0f542e845030155bc61f7ab033 [0,2,0,0,0,0|0,0,0]=2 1550 B12R1.30 OCNCC(O)c1ccccn1 ec2dcb570a75423958acfe8c8ceb5bda [0,2,0,0,0,0|1,0,0]=3 1551 B12R1.30 OCNCC(O)c1cccnc1 706b32d1f3a3c7b4480e7c94bfb1ff54 [0,2,0,0,0,0|1,0,0]=3 1552 B12R1.30 OCNCC(O)c1ccncc1 1f895db4e7084cce9c369909872cb36b [0,2,0,0,0,0|1,0,0]=3 1553 B12R1.30 OCNC[C@@H](O)c1ccccc1 6b625a35862ee45205a70adf222a9a23 [0,2,0,0,0,0|0,0,0]=2 1554 B12R1.30 OCNC[C@H](O)c1ccccc1 a19c64470da13d711a93a5da873610b8 [0,2,0,0,0,0|0,0,0]=2 1555 B12R1.30 O[C@@H](CNCF)c1ccccc1 17594babf953eee0d2b4c962daa025ce [0,2,0,0,0,0|0,0,0]=2 1556 B12R1.30 O[C@H](CNCF)c1ccccc1 1fae90a4e809b4254f08900139a841ce [0,2,0,0,0,0|0,0,0]=2 1557 B12R1.107 C=C(C)CN(C)c1ccccc1 892f6b3ce1ea7a9b6cd32d9e819b4a96 [0,2,0,0,0,0|2,0,0]=4 1558 B12R1.107 CC(=O)NC(C)c1ccccc1 5ac270090224b04d6e18bd0f40247bab [0,2,0,0,0,0|1,0,1]=4 1559 B12R1.107 CC(=O)N[C@@H](C)c1ccccc1 83a412c49d00ac7737895652e0438906 [0,2,0,0,0,0|1,0,1]=4 1560 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 6af9f7af8ede42291806b12f353a29c9 [0,2,0,0,0,0|1,0,1]=4 1561 B12R1.107 CC(C)CN(C)c1ccccc1 95fef0ba310b862ee7742e989aa00371 [0,2,0,0,0,0|2,0,0]=4 1562 B12R1.107 CC(C)NC(C)c1ccccn1 7a8a49744ff2dc697705e105a4d29b31 [0,2,0,0,0,0|2,0,0]=4 1563 B12R1.107 CC(C)NC(C)c1cccnc1 f83045cb9bb475cbbd0d72c753be3dbb [0,2,0,0,0,0|2,0,0]=4 1564 B12R1.107 CC(C)NC(C)c1ccncc1 4565af1a01c9e3a5c5433e3411958097 [0,2,0,0,0,0|2,0,0]=4 1565 B12R1.107 CC(C)N[C@@H](C)c1ccccn1 5a8182a5c2834a1b8d14a1d525ca73eb [0,2,0,0,0,0|2,0,0]=4 1566 B12R1.107 CC(C)N[C@@H](C)c1cccnc1 bba252309d650ecc30069f3dddd1b105 [0,2,0,0,0,0|2,0,0]=4 1567 B12R1.107 CC(C)N[C@@H](C)c1ccncc1 775d0cb56d3dd6bc4738e2685aee9f6a [0,2,0,0,0,0|2,0,0]=4 1568 B12R1.107 CC(C)N[C@H](C)c1ccccn1 8a594a7c5da3e31c163d1068dcac9471 [0,2,0,0,0,0|2,0,0]=4 1569 B12R1.107 CC(C)N[C@H](C)c1cccnc1 ce94c3a37523dd9db9b3b4f768ea9506 [0,2,0,0,0,0|2,0,0]=4 1570 B12R1.107 CC(C)N[C@H](C)c1ccncc1 a8f7ac5675fa91c5d895f344e2b2bc66 [0,2,0,0,0,0|2,0,0]=4 1571 B12R1.107 CC(C)OC(C)c1ccccc1 c88937e1bba3e11ca71331a692d3263d [0,2,0,0,0,0|1,0,0]=3 1572 B12R1.107 CC(C)OC(C)c1ccccn1 e36bdb169f8c2820d6238217cf2c0c9b [0,2,0,0,0,0|2,0,0]=4 1573 B12R1.107 CC(C)OC(C)c1cccnc1 a720356d264ae2e2bd94268a34af0246 [0,2,0,0,0,0|2,0,0]=4 1574 B12R1.107 CC(C)OC(C)c1ccncc1 dff8cce62d02c112ddba22a89b06b30b [0,2,0,0,0,0|2,0,0]=4 1575 B12R1.107 CC(C)O[C@@H](C)c1ccccc1 cd312c9ad337f3d7e7cf959a697dd297 [0,2,0,0,0,0|1,0,0]=3 1576 B12R1.107 CC(C)O[C@@H](C)c1ccccn1 6a258a3944fb55be34cbeaa329643f08 [0,2,0,0,0,0|2,0,0]=4 1577 B12R1.107 CC(C)O[C@@H](C)c1cccnc1 e078965ffd7282aede11459af9dd81de [0,2,0,0,0,0|2,0,0]=4 1578 B12R1.107 CC(C)O[C@@H](C)c1ccncc1 a72003c25fd185808d9c1b428a24fd38 [0,2,0,0,0,0|2,0,0]=4 1579 B12R1.107 CC(C)O[C@H](C)c1ccccc1 b2ce62b73f9b987a3fea9afe8162e394 [0,2,0,0,0,0|1,0,0]=3 1580 B12R1.107 CC(C)O[C@H](C)c1ccccn1 328ee8bf306075f10d7c4472fab39f5c [0,2,0,0,0,0|2,0,0]=4 1581 B12R1.107 CC(C)O[C@H](C)c1cccnc1 8b46fac7478602a39d5771164fd44ea8 [0,2,0,0,0,0|2,0,0]=4 1582 B12R1.107 CC(C)O[C@H](C)c1ccncc1 0ca354191167bd77b68c3f542b91cfff [0,2,0,0,0,0|2,0,0]=4 1583 B12R1.107 CC(O)CN(C)c1ccccc1 f96f86be852a8f681918c1e7f925b14c [0,2,0,0,0,0|2,0,0]=4 1584 B12R1.107 CN(CC(F)F)c1ccccc1 05f004b3b4c4b69f1581d75ed67c7356 [0,2,0,0,0,0|2,0,0]=4 1585 B12R1.107 C[C@H](O)CN(C)c1ccccc1 623c379093f4d5c87dbfc7a6a5452bce [0,2,0,0,0,0|2,0,0]=4 1586 B12R1.308 CC(NCF)c1ccccc1Cl 9e9fe0e13e013eac062b2d8b7a7dd641 [0,2,0,0,0,0|2,0,0]=4 1587 B12R1.308 CC(NCF)c1ccccc1F bc7168c780dd1f426d40f4f1ad262276 [0,2,0,0,0,0|2,0,0]=4 1588 B12R1.308 CC(NCO)c1ccccc1Cl 1f0c401b4ac09588d0873e8556a15d9b [0,2,0,0,0,0|2,0,0]=4 1589 B12R1.308 CC(NCO)c1ccccc1F f8af624e28cef3667af96d9d540bf774 [0,2,0,0,0,0|2,0,0]=4 1590 B12R1.308 CC(NCO)c1ccccc1I 38352b05097a6498f9c6f5e041497e5f [0,2,0,0,0,0|2,0,0]=4 1591 B12R1.308 CCCN(C)c1ccccc1C 73001c2aed106e7b28af99b1d028c245 [0,2,0,0,0,0|2,0,0]=4 1592 B12R1.308 CCCN(C)c1ccccc1F c8eaad67375959ac89e6c1bbf087169d [0,2,0,0,0,0|2,0,0]=4 1593 B12R1.308 CCNC(C)c1ccccc1C 0883f4cb3ceebac2afc1d8b1d74757fe [0,2,0,0,0,0|1,0,0]=3 1594 B12R1.308 CCNC(C)c1ccccc1Cl e4c014f93d31b2cbe46d458b32f53e09 [0,2,0,0,0,0|1,0,0]=3 1595 B12R1.308 CCNC(C)c1ccccc1F f7d95a3361fedbbb65f99a2acb41e413 [0,2,0,0,0,0|1,0,0]=3 1596 B12R1.308 CCNC(C)c1ccccc1I 644333e054a6c1bf2e43ef800eb6ccf0 [0,2,0,0,0,0|1,0,0]=3 1597 B12R1.308 CCNC(C)c1cccnc1Br 38c83c2c5e593a4cbca841234a2ebb1d [0,2,0,0,0,0|2,0,0]=4 1598 B12R1.308 CCNC(C)c1cccnc1C 3735c330d5f4a9c269bf9b5ec6810292 [0,2,0,0,0,0|2,0,0]=4 1599 B12R1.308 CCNC(C)c1ccncc1Br 87a4d9509bb09cd3ee46ef342400b19a [0,2,0,0,0,0|2,0,0]=4 1600 B12R1.308 CCNC(C)c1ccncc1Cl 9d604d6e34f5a177efd8de13b994db30 [0,2,0,0,0,0|2,0,0]=4 1601 B12R1.308 CCNC(C)c1ccncc1F a798ef21008a806d8b5e9e6f921e2e9b [0,2,0,0,0,0|2,0,0]=4 1602 B12R1.308 CCNC(C)c1ncccc1C bea9721c97b8db322c8138e040f13242 [0,2,0,0,0,0|2,0,0]=4 1603 B12R1.308 CCN[C@@H](C)c1ccccc1C 8d3fac06d9fd721c033cdce6debd1b11 [0,2,0,0,0,0|1,0,0]=3 1604 B12R1.308 CCN[C@@H](C)c1ccccc1Cl 099142b233a887b54f0becdabd5e841f [0,2,0,0,0,0|1,0,0]=3 1605 B12R1.308 CCN[C@@H](C)c1ccccc1F d09734bb90b2604a0ef3d53cf89c9061 [0,2,0,0,0,0|1,0,0]=3 1606 B12R1.308 CCN[C@H](C)c1ccccc1C 932b5a6a4e53b1370f118a04ec8aea7a [0,2,0,0,0,0|1,0,0]=3 1607 B12R1.308 CCN[C@H](C)c1ccccc1Cl 638f0775df6296d8f14ee24c8a8e2394 [0,2,0,0,0,0|1,0,0]=3 1608 B12R1.308 CCN[C@H](C)c1ccccc1F 769010e7a9b6e656b36dc7b095841e4f [0,2,0,0,0,0|1,0,0]=3 1609 B12R1.308 CCN[C@H](C)c1ncccc1C 5f7a6753a1990b847940bcb3092a1f8b [0,2,0,0,0,0|2,0,0]=4 1610 B12R1.308 CCOC(C)c1ccccc1Cl 41900255e15d067e87f6ea562416138f [0,2,0,0,0,0|1,0,0]=3 1611 B12R1.308 CCOC(C)c1cccnc1Br fc2c5251d9679351d2fd46ae057755dc [0,2,0,0,0,0|2,0,0]=4 1612 B12R1.308 CCOC(C)c1cccnc1C 918f38d722eb654cc10b57ed25f02f64 [0,2,0,0,0,0|2,0,0]=4 1613 B12R1.308 CCOC(C)c1cccnc1Cl e1cb54086327742dad009f9983efdcdc [0,2,0,0,0,0|2,0,0]=4 1614 B12R1.308 CCOC(C)c1ccncc1C 440298a245d6abbbb029d6a3efd4eed2 [0,2,0,0,0,0|2,0,0]=4 1615 B12R1.308 CCOC(C)c1ccncc1Cl 236d035f63c42762416af00e6828d8d5 [0,2,0,0,0,0|2,0,0]=4 1616 B12R1.308 CCOC(C)c1ncccc1C 5e7304b7717b06f58d2c2a01532b7949 [0,2,0,0,0,0|2,0,0]=4 1617 B12R1.308 CCOC(C)c1ncccc1Cl 8a12aba91d7d59821602e53e86db1156 [0,2,0,0,0,0|2,0,0]=4 1618 B12R1.308 CCOC(C)c1ncccc1F 8554c2e371756e5e9c76b5e0ef4fa286 [0,2,0,0,0,0|2,0,0]=4 1619 B12R1.308 CCO[C@@H](C)c1ccccc1Cl 0d253b912a6e6c7137bdc641619c139f [0,2,0,0,0,0|1,0,0]=3 1620 B12R1.308 CCO[C@H](C)c1ccccc1Cl fec58acae71ef20f9f3b3ae583319a6c [0,2,0,0,0,0|1,0,0]=3 1621 B12R1.308 CCO[C@H](C)c1cccnc1Cl f8fe79e213ecf5c20bc86e7607d7e3ec [0,2,0,0,0,0|2,0,0]=4 1622 B12R1.308 CCO[C@H](C)c1ncccc1C e60884624f0f6dfee8658edd9699b311 [0,2,0,0,0,0|2,0,0]=4 1623 B12R1.308 CCO[C@H](C)c1ncccc1F 692d3cd621ee2ec5fb88eeb679804c37 [0,2,0,0,0,0|2,0,0]=4 1624 B12R1.308 CN(CCO)c1ccccc1F 37d143c16f186bf80511b9ea0982cdce [0,2,0,0,0,0|2,0,0]=4 1625 B12R1.308 CN(CCS)c1ccccc1Cl 723b6d1b97ecf7334956dea9762e0c24 [0,2,0,0,0,0|2,0,0]=4 1626 B12R1.308 CN(CCS)c1ccccc1F 1f25244699ea49bedb25c68e35e6ff38 [0,2,0,0,0,0|2,0,0]=4 1627 B12R1.308 COCN(C)c1ccccc1C f224c9bb5fe23115c7fa370ea3f6470e [0,2,0,0,0,0|2,0,0]=4 1628 B12R1.308 COCN(C)c1ccccc1Cl 1f54d711984a58c2f3926dd45ded75fe [0,2,0,0,0,0|2,0,0]=4 1629 B12R1.308 COCN(C)c1ccccc1F 285cb5429ee8876835de9666442ca7e8 [0,2,0,0,0,0|2,0,0]=4 1630 B12R1.308 CSCN(C)c1ccccc1C 5bd84e2103680c3cc36260fd189b1fa2 [0,2,0,0,0,0|2,0,0]=4 1631 B12R1.308 CSCN(C)c1ccccc1Cl 7f57939c15a8a05ae23d364af823fa13 [0,2,0,0,0,0|2,0,0]=4 1632 B12R1.308 CSCN(C)c1ccccc1F c3f0f1779e331775f1251b24adef35a5 [0,2,0,0,0,0|2,0,0]=4 1633 B12R1.308 C[C@@H](NCF)c1ccccc1Cl 51642ddac9d75373cd8664448de5d444 [0,2,0,0,0,0|2,0,0]=4 1634 B12R1.308 C[C@@H](NCF)c1ccccc1F b81aeb75f26e45e22f353f1bd6575e41 [0,2,0,0,0,0|2,0,0]=4 1635 B12R1.308 C[C@@H](NCO)c1ccccc1Cl 68a5f9299e56d3cba8de039d6c35a0ca [0,2,0,0,0,0|2,0,0]=4 1636 B12R1.308 C[C@@H](NCO)c1ccccc1F b0e26e577d860ef89a5b9152b45e88a6 [0,2,0,0,0,0|2,0,0]=4 1637 B12R1.308 C[C@H](NCF)c1ccccc1Cl 094e58320907c1b0aa41fb5b0fe49532 [0,2,0,0,0,0|2,0,0]=4 1638 B12R1.308 C[C@H](NCF)c1ccccc1F 46b0c636a8e762dba88dbd01f126e091 [0,2,0,0,0,0|2,0,0]=4 1639 B12R1.308 C[C@H](NCO)c1ccccc1Cl 6721150152565c45045c8d7226931c07 [0,2,0,0,0,0|2,0,0]=4 1640 B12R1.308 C[C@H](NCO)c1ccccc1F 843364a70a090624fe16305422e066fd [0,2,0,0,0,0|2,0,0]=4 1641 B12R1.308 Cc1ccccc1C(C)NCF 712d68dc5be0f64eecf9aa66b715e0c2 [0,2,0,0,0,0|2,0,0]=4 1642 B12R1.308 Cc1ccccc1C(C)NCO 6c3894b72e4dae93ee5dc306d60ad36c [0,2,0,0,0,0|2,0,0]=4 1643 B12R1.308 Cc1ccccc1N(C)CCO 80f6861252f95d5dcf1238c7389dc7e7 [0,2,0,0,0,0|2,0,0]=4 1644 B12R1.308 Cc1ccccc1N(C)CCS c756b68f534c63c80b8d9ddc89a788c5 [0,2,0,0,0,0|2,0,0]=4 1645 B12R1.308 Cc1ccccc1[C@@H](C)NCF 6cf924335d2b2f2d251ce6315911000f [0,2,0,0,0,0|2,0,0]=4 1646 B12R1.308 Cc1ccccc1[C@@H](C)NCO b8dd4b9d69a2c456fde4fd3e7fd35a7b [0,2,0,0,0,0|2,0,0]=4 1647 B12R1.308 Cc1ccccc1[C@H](C)NCF f232a12683e4a16bb4cd1a09dc433efa [0,2,0,0,0,0|2,0,0]=4 1648 B12R1.308 Cc1ccccc1[C@H](C)NCO 7e8be47cb87e472d5897ef53423fefc4 [0,2,0,0,0,0|2,0,0]=4 1649 B12R1.5 CCN(C)c1ccc(cc1)C=O a0fd570706483771aa49a936d2f3cb21 [0,2,0,0,0,0|2,0,0]=4 1650 B12R1.5 CCN(C)c1ccc(cc1)CO 0442e642b28dc09b9f3aa7725617709c [0,2,0,0,0,0|2,0,0]=4 1651 B12R1.5 CCN(C)c1ccc(cc1)NO a1b55ac79d706b4a728ba723b7fae4a6 [0,2,0,0,0,0|2,0,0]=4 1652 B12R1.5 CCN(C)c1ccc(cc1)OC 06581141c2809c0bc310ea7a67bd5102 [0,2,0,0,0,0|2,0,0]=4 1653 B12R1.5 CCN(C)c1ccc(cc1)SC da51693642669f4ac0f642dfc3a52b8b [0,2,0,0,0,0|2,0,0]=4 1654 B12R1.20 CC(C)N(C)c1ccc(cc1)S 724cc7d86a6eca1c3614ec86435eba77 [0,2,0,0,0,0|2,0,0]=4 1655 B12R1.367 CCN(C)c1ccc(c(c1)C)F e7ba2ae1a972e93ea7db2ad389c88130 [0,2,0,0,0,0|2,0,0]=4 1656 B12R1.367 CCN(C)c1ccc(c(c1)F)C d6e478ac109299ffee6e13335e43f568 [0,2,0,0,0,0|2,0,0]=4 1657 B12R1.367 CCN(C)c1ccc(c(c1)F)F 6ae91e5725ed6e76ef2553fa515262c6 [0,2,0,0,0,0|2,0,0]=4 1658 B12R1.367 CCN(C)c1ccc(c(c1)N)N 6bdbb8baad0f4ad816776320371d3741 [0,2,0,0,0,0|2,0,0]=4 1659 B12R1.1703 CCN(C)c1ccc(cc1C)C 09ccb14d22310cb85fc6bab9b38cc134 [0,2,0,0,0,0|2,0,0]=4 1660 B12R1.1703 CCN(C)c1ccc(cc1C)I 1528841140261751630959b1371ddac3 [0,2,0,0,0,0|2,0,0]=4 1661 B12R1.1703 CCN(C)c1ccc(cc1Cl)Cl 4ac911e985262aecdf45c279e9f55d36 [0,2,0,0,0,0|2,0,0]=4 1662 B12R1.1703 CCN(C)c1ccc(cc1F)F f8db2fb7b01a67041cf19eb6de457fda [0,2,0,0,0,0|2,0,0]=4 1663 B12R1.1703 CCN(C)c1ccc(cc1N)N 887786d883186abeecd71d9dd4b59b7d [0,2,0,0,0,0|2,0,0]=4 1664 B12R1.24 CCN(C)c1cccc(c1Br)Cl 7826f2ebec183ccf19e22d20612cd1a9 [0,2,0,0,0,0|2,0,0]=4 1665 B12R1.24 CCN(C)c1cccc(c1F)C a503f4a96f3aa36c74211d7bdf06d4ea [0,2,0,0,0,0|2,0,0]=4 1666 B12R1.24 CCN(C)c1cccc(c1N)N 03b3a8cfb6df1300f6a663b1a4b3b7c9 [0,2,0,0,0,0|2,0,0]=4 1667 B12R1.225 CC(C)N(C)c1cccc(c1)Br 404c236cddda68afae2a72dcb1e91c48 [0,2,0,0,0,0|2,0,0]=4 1668 B12R1.225 CC(C)N(C)c1cccc(c1)I 4d85a7a31cabd784005d5d22697530e3 [0,2,0,0,0,0|2,0,0]=4 1669 B12R1.354 CCN(C)c1cc(ccc1C)C 2951c7e51bddfe510e17da6912ae0626 [0,2,0,0,0,0|2,0,0]=4 1670 B12R1.354 CCN(C)c1cc(ccc1C)Cl 7a3e5ad8b3a16646ed021da3a31d24d9 [0,2,0,0,0,0|2,0,0]=4 1671 B12R1.354 CCN(C)c1cc(ccc1C)F c4fc4dc2e0b3b49b203700b734dca392 [0,2,0,0,0,0|2,0,0]=4 1672 B12R1.354 CCN(C)c1cc(ccc1C)O 1d7df37622b6af2a32f07849000e2f2b [0,2,0,0,0,0|2,0,0]=4 1673 B12R1.354 CCN(C)c1cc(ccc1F)F ddbb016753942f83f818b1a9173489de [0,2,0,0,0,0|2,0,0]=4 1674 B12R1.354 CCN(C)c1cc(ccc1N)N 1f1db3a0108dcc0b6ad5fd1161e66e86 [0,2,0,0,0,0|2,0,0]=4 1675 B12R1.358 CCN(C)c1cc(cc(c1)Br)C f7ee67f1b5892a3d35079abfb41f6377 [0,2,0,0,0,0|2,0,0]=4 1676 B12R1.358 CCN(C)c1cc(cc(c1)Br)Cl 339d6d94c878a305e37ee253b96a21a9 [0,2,0,0,0,0|2,0,0]=4 1677 B12R1.358 CCN(C)c1cc(cc(c1)Br)F 9f689ccd31d97909f5a533039ea6aa6b [0,2,0,0,0,0|2,0,0]=4 1678 B12R1.358 CCN(C)c1cc(cc(c1)Cl)Cl 3eff46a65d60af5c7402aa2f3e14de9d [0,2,0,0,0,0|2,0,0]=4 1679 B12R1.358 CCN(C)c1cc(cc(c1)F)C 0580f11f8c7c350af6dd6b7a40a40f27 [0,2,0,0,0,0|2,0,0]=4 1680 B12R1.358 CCN(C)c1cc(cc(c1)F)F d504a3d1bb3228eb971e59805beddbaa [0,2,0,0,0,0|2,0,0]=4 1681 B12R1.358 CCN(C)c1cc(cc(c1)N)N d6a37a6a62a304bc1076c4f28b5d4a54 [0,2,0,0,0,0|2,0,0]=4 1682 B12R1.358 CCN(C)c1cc(cc(c1)S)F 9680bf2483a35284b4f00c13bd8c3722 [0,2,0,0,0,0|2,0,0]=4 1683 B12R1.435 C#Cc1cccc(c1)N(C)CC 1693b423a47cad812006f8039f971f55 [0,2,0,0,0,0|2,0,0]=4 1684 B12R1.435 C=Cc1cccc(c1)N(C)CC 714c8233b51d928ea889862c5a0f2288 [0,2,0,0,0,0|2,0,0]=4 1685 B12R1.435 CCN(C)c1cccc(c1)C#N 0c9b178fff09ad2e34391933c8cd3c47 [0,2,0,0,0,0|2,0,0]=4 1686 B12R1.435 CCN(C)c1cccc(c1)C=O 2ef7af07d9eaa31c02cf7fa95d22c099 [0,2,0,0,0,0|2,0,0]=4 1687 B12R1.435 CCN(C)c1cccc(c1)CF b1979152cb9ffeb4ad1dea1ef7840476 [0,2,0,0,0,0|2,0,0]=4 1688 B12R1.435 CCN(C)c1cccc(c1)CO c3864e8733cb7d9bbb82a8839a25343f [0,2,0,0,0,0|2,0,0]=4 1689 B12R1.435 CCN(C)c1cccc(c1)CS bce8811bbeb14d716b123505c24b446c [0,2,0,0,0,0|2,0,0]=4 1690 B12R1.435 CCN(C)c1cccc(c1)OC 0aff2a02bfb874f95c191d1f67ddaca8 [0,2,0,0,0,0|2,0,0]=4 1691 B12R1.435 CCN(C)c1cccc(c1)ON 06a90b2e60744bf32bd0f5cea93a0c4c [0,2,0,0,0,0|2,0,0]=4 1692 B12R1.435 CCN(C)c1cccc(c1)SC 741080eeb21fb893f243ca67d484f193 [0,2,0,0,0,0|2,0,0]=4 1693 B12R1.435 CCc1cccc(c1)N(C)CC dffef23df0dbe4f55e454978742ee400 [0,2,0,0,0,0|2,0,0]=4 1694 B12R1.564 CN(c1ccccc1)C(C)(C)C e80532fb4161df898c2fab27c7c13676 [0,2,0,0,0,0|2,0,0]=4 1695 B12R1.77 C=Cc1ccccc1N(C)CC ae2b8a92e7975c44d201387facfe0b22 [0,2,0,0,0,0|2,0,0]=4 1696 B12R1.77 CCN(C)c1ccccc1C=O b61af2b44e4bec341cbb42b2de40b6a9 [0,2,0,0,0,0|2,0,0]=4 1697 B12R1.77 CCN(C)c1ccccc1CO b6d6a543cf556001b3ec947333435738 [0,2,0,0,0,0|2,0,0]=4 1698 B12R1.77 CCc1ccccc1N(C)CC 95f827fb3170324067716451f49f2dcf [0,2,0,0,0,0|2,0,0]=4 1699 B12R1.3441 CCN(C)c1c(cccc1F)C 69eb1edb4ee2470735f463653c083313 [0,2,0,0,0,0|2,0,0]=4 1700 B12R1.3441 CCN(C)c1c(cccc1F)F be6bf5146fd00ecbafedd8de8f7c9540 [0,2,0,0,0,0|2,0,0]=4 1701 B12R2.11 CC1CC1Nc2ccccc2 6c2b1ed9451679c2c2b0f3748602bd6d [0,0,0,1,0,1|1,0,0]=3 1702 B12R2.11 CC1CC1Nc2cccnc2 e0f55178f08b4b2b54d9d876d97d2290 [0,0,0,1,0,1|2,0,0]=4 1703 B12R2.11 F[C@@H]1C[C@@H]1Nc2ccccc2 25c07123a823d9ea2969aff7da72cef4 [0,0,0,1,0,1|2,0,0]=4 1704 B12R2.11 F[C@@H]1C[C@H]1Nc2ccccc2 b0efbced164dabbe532e6255951097b4 [0,0,0,1,0,1|2,0,0]=4 1705 B12R2.11 F[C@H]1C[C@@H]1Nc2ccccc2 e610ffc6a467ed241d6c7f91606b201b [0,0,0,1,0,1|2,0,0]=4 1706 B12R2.27 CCN1CC1c2ccccc2 9688627107d4117581407497e721ccee [0,0,0,1,0,1|2,0,0]=4 1707 B12R2.27 CCN1C[C@@H]1c2ccccc2 c32dec6f3160b9b7bc8c2839caf72878 [0,0,0,1,0,1|2,0,0]=4 1708 B12R2.32 CCN1Cc2ccccc2C1 20c2942768350a956e6d394a0b65e9b5 [0,0,0,1,0,1|2,0,0]=4 1709 B12R2.94 CC1(CC1)Nc2cccnc2 7578bbb55e576acda721e7cce0ab0877 [0,0,0,1,0,1|2,0,0]=4 1710 B12R2.2058 c1cc(ccn1)NC2CCC2 ff52b84334e7a4aaf2d6969c56a15034 [0,0,0,1,0,1|2,0,0]=4 1711 B12R2.2058 c1ccc(cc1)CN2CCC2 79f0a156a4476249fe3e90dbe2fa6274 [0,0,0,1,0,1|2,0,0]=4 1712 B12R2.2058 c1ccc(cc1)NC2COC2 638d2081ed3e07246cd09300ecb8f6dc [0,0,0,1,0,1|2,0,0]=4 1713 B12R2.2058 c1ccc(nc1)NC2CCC2 fb43cdd397450ab6a78add51a3593170 [0,0,0,1,0,1|2,0,0]=4 1714 B12R2.2058 c1ccc(nc1)OC2CCC2 01ad94c84aae3cf4e74cc0f7661c85b5 [0,0,0,1,0,1|2,0,0]=4 1715 B12R2.2058 c1cncc(c1)NC2CCC2 dd91e6f1e99e09367d72a057d00ff1a5 [0,0,0,1,0,1|2,0,0]=4 1716 B12R2.2058 c1cncc(c1)OC2CCC2 7a6fdcb9cb0be6f7ba06c65562ff0c48 [0,0,0,1,0,1|2,0,0]=4 1717 B12R2.1 O=CN1CCc2c1cccc2 952fb58dcbced8913394c41c3e29378e [0,1,0,1,0,0|1,0,1]=4 1718 B12R2.1 OCN1CCc2c1cccc2 b6afa4fa6bad5e1cd18ef7eeaa43164b [0,1,0,1,0,0|1,0,0]=3 1719 B12R2.1 OCN1CCc2c1cccn2 6bc3bb677f88da8fd8301f0c9a392f1b [0,1,0,1,0,0|2,0,0]=4 1720 B12R2.1 OCN1CCc2c1ccnc2 a76413ee6f28e7676135b29e9ea6001b [0,1,0,1,0,0|2,0,0]=4 1721 B12R2.1 OCN1CCc2c1cncc2 6f9b8a4d65c1bbdd614762f05d2461d7 [0,1,0,1,0,0|2,0,0]=4 1722 B12R2.1 OCN1CCc2c1nccc2 a47c7d48541048f1d1671782051639e3 [0,1,0,1,0,0|2,0,0]=4 1723 B12R2.931 CCOC1Cc2c1cccc2 3c89ff4e209e0c2fdac6354471a794bb [0,1,0,1,0,0|1,0,0]=3 1724 B12R2.931 FCOC1Cc2c1cccc2 8a2a59b07ef62954890e5ca9132b929f [0,1,0,1,0,0|2,0,0]=4 1725 B8R1.8 CCNc1cccs1 f92887221cdfe270aa88f70a5b6538c3 [1,0,0,0,1,0|2,0,0]=4 1726 B8R1.8 CCNc1ccsc1 cda8850b0edc8792e319ed7aad994bf3 [1,0,0,0,1,0|2,0,0]=4 1727 B8R1.8 CCOc1ccco1 e09af78840aa7c50339c3ce236ba2f4c [1,0,0,0,1,0|2,0,0]=4 1728 B8R1.8 CCOc1cccs1 d21292a98c2ee3c1ea9b8b00e074b6ef [1,0,0,0,1,0|2,0,0]=4 1729 B8R1.8 CCOc1ccsc1 e97ca04b8e5d46ec67b2ebe625463cd4 [1,0,0,0,1,0|2,0,0]=4 1730 B12R1.27 BrCC(Br)CNc1ccccc1 e7e12b5e4c30a5d2720e1014017ec37c [0,0,0,0,0,2|2,0,0]=4 1731 B12R1.27 C=C(CC)CNc1ccccc1 109c052abdb53f9ddab28ed347d98fd8 [0,0,0,0,0,2|1,0,1]=4 1732 B12R1.27 C=CC(O)CNc1ccccc1 e6108fb7cfe75301d4d656a5d5d31162 [0,0,0,0,0,2|0,0,2]=4 1733 B12R1.27 CC(CF)OCc1ccccc1 c18da580e3dabe7992624a35c25d53e8 [0,0,0,0,0,2|2,0,0]=4 1734 B12R1.27 CC(CO)CNc1ccccc1 f07a32871260f72c2fb2363a7f611104 [0,0,0,0,0,2|2,0,0]=4 1735 B12R1.27 CC(CO)NCc1ccccc1 8f2e7b2c99e7f1ec8ee06bbaf841b37c [0,0,0,0,0,2|2,0,0]=4 1736 B12R1.27 CC(CS)OCc1ccccc1 bf9173a456888d57225f0e1203a32c5e [0,0,0,0,0,2|2,0,0]=4 1737 B12R1.27 CCC(=O)CNc1ccccc1 8a00a9b87cff2992f22bb204b9e2670f [0,0,0,0,0,2|0,0,2]=4 1738 B12R1.27 CCC(=O)NCc1ccccc1 cd109163e80059e2763660343f9dbe36 [0,0,0,0,0,2|0,0,2]=4 1739 B12R1.27 CCC(C)CNc1ccccc1 fb8ee4288bf8853fd57c8a217184507f [0,0,0,0,0,2|1,0,0]=3 1740 B12R1.27 CCC(C)CNc1ccccn1 6f2b4521dfa3e14ebf77bc9e288b8c6c [0,0,0,0,0,2|2,0,0]=4 1741 B12R1.27 CCC(C)CNc1cccnc1 799d2535ec95c75adc3efc07c94a55e6 [0,0,0,0,0,2|2,0,0]=4 1742 B12R1.27 CCC(C)CNc1ccncc1 1d114bdb53eb8bc5873d9cc0853c5acf [0,0,0,0,0,2|2,0,0]=4 1743 B12R1.27 CCC(C)COc1ccccn1 068a7be24dc7922a67d6964a1394c7d6 [0,0,0,0,0,2|2,0,0]=4 1744 B12R1.27 CCC(C)COc1cccnc1 0c32f61d8566e65294b7d65adcb5b70b [0,0,0,0,0,2|2,0,0]=4 1745 B12R1.27 CCC(C)COc1ccncc1 60b90e0040b7a2f08da03a263d76f7dc [0,0,0,0,0,2|2,0,0]=4 1746 B12R1.27 CCC(C)NCc1ccccc1 ab8df84230779f2ea3e6a09700944eac [0,0,0,0,0,2|1,0,0]=3 1747 B12R1.27 CCC(C)NCc1ccccn1 600531c2c0367b3cbfd9810ef9c18666 [0,0,0,0,0,2|2,0,0]=4 1748 B12R1.27 CCC(C)NCc1cccnc1 03aa38772555301826d5e6a7450f6276 [0,0,0,0,0,2|2,0,0]=4 1749 B12R1.27 CCC(C)NCc1ccncc1 8f2ef9d0f5df7ed3c4b3d292b12e10fb [0,0,0,0,0,2|2,0,0]=4 1750 B12R1.27 CCC(C)OCc1ccccc1 ecd56e0e8d83f20f8ba3d53f4367b277 [0,0,0,0,0,2|1,0,0]=3 1751 B12R1.27 CCC(C)OCc1ccccn1 cdbc114ff1e98274e0c76d4efba7fd19 [0,0,0,0,0,2|2,0,0]=4 1752 B12R1.27 CCC(C)OCc1cccnc1 48e9afbe8701af90763c0a4646314a57 [0,0,0,0,0,2|2,0,0]=4 1753 B12R1.27 CCC(C)OCc1ccncc1 a48ab0f470a95fc03f35a49430e127c9 [0,0,0,0,0,2|2,0,0]=4 1754 B12R1.27 CCC(O)CNc1ccccc1 3a32ac0a6b49d877750df15cf382268b [0,0,0,0,0,2|0,0,0]=2 1755 B12R1.27 CCC(O)CNc1ccccn1 6864d6686de3983b3129898abd14e11f [0,0,0,0,0,2|1,0,0]=3 1756 B12R1.27 CCC(O)CNc1cccnc1 5ec705eaa989393421bbf1121531428c [0,0,0,0,0,2|1,0,0]=3 1757 B12R1.27 CCC(O)CNc1cccnn1 ac8c3cdae8804672bacb52140e53905b [0,0,0,0,0,2|2,0,0]=4 1758 B12R1.27 CCC(O)CNc1ccncc1 0b60e4dad8ea5561a0d2716be536ff21 [0,0,0,0,0,2|1,0,0]=3 1759 B12R1.27 CCC(O)CNc1ccncn1 ca102469dcbe8fe4e133ae077b53bc80 [0,0,0,0,0,2|2,0,0]=4 1760 B12R1.27 CCC(O)CNc1ccnnc1 fe0e786ee5d88fafe3b7ed52c4168ced [0,0,0,0,0,2|2,0,0]=4 1761 B12R1.27 CCC(O)CNc1cnccn1 6334d1439105446d009be2bfcd484584 [0,0,0,0,0,2|2,0,0]=4 1762 B12R1.27 CCC(O)CNc1cncnc1 4bd5a3ed92eaf9c981e18e753f2261c5 [0,0,0,0,0,2|2,0,0]=4 1763 B12R1.27 CCC(O)CNc1ncccn1 fcd9c82d249780013a859f025e7e3182 [0,0,0,0,0,2|2,0,0]=4 1764 B12R1.27 CCN(C)CCc1ccccc1 7c4ca4f684c66e96c63c7f2e129ac623 [0,0,0,0,0,2|2,0,0]=4 1765 B12R1.27 CC[C@@H](C)CNc1ccccc1 7adb7de69cc286747885efdd5e0d3ab0 [0,0,0,0,0,2|1,0,0]=3 1766 B12R1.27 CC[C@@H](C)CNc1ccccn1 b147644fe4c42e26e6b4ca990988fc8c [0,0,0,0,0,2|2,0,0]=4 1767 B12R1.27 CC[C@@H](C)CNc1cccnc1 1eb105ddecf8c3249110848ecff4eaa7 [0,0,0,0,0,2|2,0,0]=4 1768 B12R1.27 CC[C@@H](C)CNc1ccncc1 ea454cc837b589ad6fa29f9da9abac60 [0,0,0,0,0,2|2,0,0]=4 1769 B12R1.27 CC[C@@H](C)COc1ccccn1 874982a66f916edcb8896717a7802590 [0,0,0,0,0,2|2,0,0]=4 1770 B12R1.27 CC[C@@H](C)COc1cccnc1 58227191aae01f35afcd7cf132697857 [0,0,0,0,0,2|2,0,0]=4 1771 B12R1.27 CC[C@@H](C)COc1ccncc1 d0894bc1ae7cda042c896f44faa1550c [0,0,0,0,0,2|2,0,0]=4 1772 B12R1.27 CC[C@@H](C)NCc1ccccc1 1448d746eef22413d3964f8047936159 [0,0,0,0,0,2|1,0,0]=3 1773 B12R1.27 CC[C@@H](C)NCc1ccccn1 abcbefa3b0b43406c128be8257adf8b2 [0,0,0,0,0,2|2,0,0]=4 1774 B12R1.27 CC[C@@H](C)NCc1cccnc1 b119e02beb918b7f43cb64ab2c69b801 [0,0,0,0,0,2|2,0,0]=4 1775 B12R1.27 CC[C@@H](C)OCc1ccccc1 0a5e215baf34a258dd8987ff4d2156b3 [0,0,0,0,0,2|1,0,0]=3 1776 B12R1.27 CC[C@@H](C)OCc1ccccn1 01fb0c2d8a73e699c5cca2351e7c51da [0,0,0,0,0,2|2,0,0]=4 1777 B12R1.27 CC[C@@H](C)OCc1cccnc1 2a740981d9be19ca809d229b469f45a2 [0,0,0,0,0,2|2,0,0]=4 1778 B12R1.27 CC[C@@H](O)CNc1ccccc1 765034dc37ea09fed7d7c3321191febe [0,0,0,0,0,2|0,0,0]=2 1779 B12R1.27 CC[C@@H](O)CNc1cccnc1 804d6049e9a11075b053115d69a8a4fd [0,0,0,0,0,2|1,0,0]=3 1780 B12R1.27 CC[C@@H](O)CNc1ccncc1 d1898f70a0d74eecc26d475907d4eaff [0,0,0,0,0,2|1,0,0]=3 1781 B12R1.27 CC[C@@H](O)CNc1ccncn1 649018c5a6a5f17284abaad2f68f2eae [0,0,0,0,0,2|2,0,0]=4 1782 B12R1.27 CC[C@H](C)CNc1ccccc1 1ad1285ada078333483cb7913624769f [0,0,0,0,0,2|1,0,0]=3 1783 B12R1.27 CC[C@H](C)CNc1ccccn1 75c9b55178b9e6cbffbfe52153637e1b [0,0,0,0,0,2|2,0,0]=4 1784 B12R1.27 CC[C@H](C)CNc1cccnc1 2e0a2075fe988129d1dcbf5d21b158ec [0,0,0,0,0,2|2,0,0]=4 1785 B12R1.27 CC[C@H](C)CNc1ccncc1 1476b49c3603a7542420a49c2bf3dc59 [0,0,0,0,0,2|2,0,0]=4 1786 B12R1.27 CC[C@H](C)COc1ccccn1 f5b749782758cf24dab04e1718b2b720 [0,0,0,0,0,2|2,0,0]=4 1787 B12R1.27 CC[C@H](C)COc1cccnc1 07e42e29a9d594c30776c88035bd838e [0,0,0,0,0,2|2,0,0]=4 1788 B12R1.27 CC[C@H](C)COc1ccncc1 91877b6a13f619eb114c1ca0ccf0b7a7 [0,0,0,0,0,2|2,0,0]=4 1789 B12R1.27 CC[C@H](C)NCc1ccccc1 1d652b15c79b972376b40d93f2c0c28b [0,0,0,0,0,2|1,0,0]=3 1790 B12R1.27 CC[C@H](C)NCc1ccccn1 db87df854d63d8a538c09dd589fcce72 [0,0,0,0,0,2|2,0,0]=4 1791 B12R1.27 CC[C@H](C)NCc1cccnc1 fa7be05a72600688ba61bb2a45c0e2c1 [0,0,0,0,0,2|2,0,0]=4 1792 B12R1.27 CC[C@H](C)OCc1ccccc1 b8de8bd5177d460679bde97bee24bb31 [0,0,0,0,0,2|1,0,0]=3 1793 B12R1.27 CC[C@H](C)OCc1ccccn1 095ff59c775b3964aafbd1681dc69b03 [0,0,0,0,0,2|2,0,0]=4 1794 B12R1.27 CC[C@H](C)OCc1cccnc1 dc7942b08bf13064943cbe342b7c887c [0,0,0,0,0,2|2,0,0]=4 1795 B12R1.27 COC(C)CNc1ccccc1 8b7aea6540e0014f2969161722152c0a [0,0,0,0,0,2|2,0,0]=4 1796 B12R1.27 CO[C@@H](C)CNc1ccccc1 1db51b6397d595cc5bd1ef07b3dce178 [0,0,0,0,0,2|2,0,0]=4 1797 B12R1.27 CO[C@H](C)CNc1ccccc1 b7b86a2dea3233b080c54d71a8f46990 [0,0,0,0,0,2|2,0,0]=4 1798 B12R1.27 C[C@@H](CO)CNc1ccccc1 8acaf8396f10bf3948fe3b52f4656e75 [0,0,0,0,0,2|2,0,0]=4 1799 B12R1.27 C[C@@H](CO)NCc1ccccc1 a52866c987a35d6e1a5b62fda8afddea [0,0,0,0,0,2|2,0,0]=4 1800 B12R1.27 C[C@H](CO)CNc1ccccc1 de01f7c1f1d3b008ec664fad35110bba [0,0,0,0,0,2|2,0,0]=4 1801 B12R1.27 C[C@H](CO)NCc1ccccc1 6eed9f4ff81e8b8226b9282b8f3ad13f [0,0,0,0,0,2|2,0,0]=4 1802 B12R1.27 C[C@H](CS)OCc1ccccc1 76a62ad706fe4942b152f21141bdace8 [0,0,0,0,0,2|2,0,0]=4 1803 B12R1.27 OC(CF)CNc1ccccc1 e518893c8dbaaac7e0289d266d42fc20 [0,0,0,0,0,2|1,0,0]=3 1804 B12R1.27 OC(CF)CNc1ccccn1 1b489c84af593acbd12dd849bb8613a4 [0,0,0,0,0,2|2,0,0]=4 1805 B12R1.27 OC(CF)CNc1cccnc1 d4c1cc0570898fb9377efaef5e2305e5 [0,0,0,0,0,2|2,0,0]=4 1806 B12R1.27 OC(CF)CNc1ccncc1 234aee4af07f2b3b212146219e07228f [0,0,0,0,0,2|2,0,0]=4 1807 B12R1.27 OCC(F)CNc1ccccc1 12f6637854cd5607d7beeb33d98c9d66 [0,0,0,0,0,2|2,0,0]=4 1808 B12R1.27 OCC(O)CNc1ccccc1 2c98ea52c81c0230088b12196d6eb24a [0,0,0,0,0,2|1,0,0]=3 1809 B12R1.27 OCC(O)CNc1ccccn1 01ee7f693227d7b41743528a5289097e [0,0,0,0,0,2|2,0,0]=4 1810 B12R1.27 OCC(O)CNc1cccnc1 1b47ebf45ca013920823a1b9e2030f55 [0,0,0,0,0,2|2,0,0]=4 1811 B12R1.27 OCC(O)CNc1ccncc1 1a36e5f608fa544c06535c254ccc872e [0,0,0,0,0,2|2,0,0]=4 1812 B12R1.27 OCC(O)COc1ccccn1 de982e49db9e5905cbf502b472dbf63c [0,0,0,0,0,2|2,0,0]=4 1813 B12R1.27 OCC(O)COc1cccnc1 16ebbab500126aa2ce0f1a83627b97a0 [0,0,0,0,0,2|2,0,0]=4 1814 B12R1.27 OCC(O)COc1ccncc1 c33db2e763b2b133bf4e8cf0f33b9837 [0,0,0,0,0,2|2,0,0]=4 1815 B12R1.27 OC[C@@H](F)CNc1ccccc1 df0a72159854bbc7d14ee531e659ec9c [0,0,0,0,0,2|2,0,0]=4 1816 B12R1.27 OC[C@@H](O)CNc1ccccc1 d5ed593b781b051c17ac5c0f665c9b28 [0,0,0,0,0,2|1,0,0]=3 1817 B12R1.27 OC[C@@H](O)CNc1ccccn1 2519c7c1d8c00423d8e7e0d2e871ff57 [0,0,0,0,0,2|2,0,0]=4 1818 B12R1.27 OC[C@@H](O)CNc1cccnc1 8c575336f8c6d4fe624442e780d70b20 [0,0,0,0,0,2|2,0,0]=4 1819 B12R1.27 OC[C@@H](O)CNc1ccncc1 0661095638a99c4a845de3cb9b65b46b [0,0,0,0,0,2|2,0,0]=4 1820 B12R1.27 OC[C@@H](O)COc1ccccn1 5d7275d622eef8cbe7d078a5f35c4912 [0,0,0,0,0,2|2,0,0]=4 1821 B12R1.27 OC[C@@H](O)COc1cccnc1 67d57f427db75d1af6a0440a66710d9f [0,0,0,0,0,2|2,0,0]=4 1822 B12R1.27 OC[C@@H](O)COc1ccncc1 30d909e2d35e87bd7663ec863341db7c [0,0,0,0,0,2|2,0,0]=4 1823 B12R1.27 OC[C@H](F)CNc1ccccc1 9734eac13b001b84d3ee28ab012b0276 [0,0,0,0,0,2|2,0,0]=4 1824 B12R1.27 OC[C@H](O)CNc1ccccc1 4df6835ea35fcadc1546d95d2a23469d [0,0,0,0,0,2|1,0,0]=3 1825 B12R1.27 OC[C@H](O)CNc1ccccn1 e668a53640e03ea6cd35db659b23303b [0,0,0,0,0,2|2,0,0]=4 1826 B12R1.27 OC[C@H](O)CNc1cccnc1 f403b2d413b3dfc5460a701b3f32906f [0,0,0,0,0,2|2,0,0]=4 1827 B12R1.27 OC[C@H](O)CNc1ccncc1 563e5b58751d3dcea31b001699743353 [0,0,0,0,0,2|2,0,0]=4 1828 B12R1.27 OC[C@H](O)COc1ccccn1 045d37c66440cc9315b76b72a2532fa4 [0,0,0,0,0,2|2,0,0]=4 1829 B12R1.27 OC[C@H](O)COc1cccnc1 2642a621d8fa510d1c90c0e4fdb0b054 [0,0,0,0,0,2|2,0,0]=4 1830 B12R1.27 OC[C@H](O)COc1ccncc1 7a8d5ee1399af5e53a3e66738822d7f4 [0,0,0,0,0,2|2,0,0]=4