0 B11R1.83 C#Cc1ccc(cc1)NCC fcc2f797143393a826235cab51016e1d [0,0,0,0,0,0|2,0,1]=3 1 B11R1.83 C#Cc1ccc(cc1)NCF 8acf2fe17a846fc863343c0fcd296756 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.83 C#Cc1ccc(cc1)NCO 3d10c20a6b1713d8b2b199c513c3821e [0,0,0,0,0,0|3,0,1]=4 3 B11R1.83 C#Cc1ccc(cc1)OCC 7605fc1756b7b37617def1215e5772aa [0,0,0,0,0,0|2,0,1]=3 4 B11R1.83 C#Cc1ccc(cc1)OCF aee315f803dafc5530067ae9183b1e0d [0,0,0,0,0,0|3,0,1]=4 5 B11R1.83 C#Cc1ccc(cn1)NCC b48f6d0500c1473545d62653eaeca02a [0,0,0,0,0,0|3,0,1]=4 6 B11R1.83 C#Cc1ccc(nc1)NCC a8d5161e9e45130cc8c07c6910a92c22 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.83 C#Cc1ccc(nc1)OCC a912c525867d50c0edf1252809763398 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.83 C=Cc1ccc(cc1)NCC 817ec74810f825a0e36709628dff4396 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.83 C=Cc1ccc(cc1)NCF 0a4b6dd3c2bcc6ff056575d646b45479 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.83 C=Cc1ccc(cc1)NCO 38b24d34161eea2db824a391ffef5464 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.83 C=Cc1ccc(cc1)OCC 2dfc252e05f2c69f9afd57ad07934f94 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.83 C=Cc1ccc(cc1)OCF 1caa6521b77ee34492a62573e025620c [0,0,0,0,0,0|3,0,1]=4 13 B11R1.83 C=Cc1ccc(nc1)NCC 38b06eabaa1490c709e67ef96f75cf12 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.83 CCNc1ccc(cc1)C#N d464195f47e6ee547243ae4d17a8adf2 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.83 CCNc1ccc(cc1)C=O 5b1da36ecdd403f54386923bf3cd85f6 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.83 CCNc1ccc(cc1)CC 6ead712ee50631311185c30d29cb552f [0,0,0,0,0,0|2,0,0]=2 17 B11R1.83 CCNc1ccc(cc1)CO ebf5cabcdccf03d422420491e8a9bb88 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.83 CCNc1ccc(cc1)OC a4b97f177bf546e094eec7eb3e7f66dd [0,0,0,0,0,0|1,0,0]=1 19 B11R1.83 CCNc1ccc(cc1)SC 2ca52da4c1da9cde62caa1a44419ff80 [0,0,0,0,0,0|1,1,0]=2 20 B11R1.83 CCNc1ccc(cn1)C#N b4d0af44e32af244fde054f16cbf16e6 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.83 CCNc1ccc(cn1)C=O dd4312795d8088c2d75d58fa4a7fbc09 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.83 CCNc1ccc(cn1)CC cad7e7c9618f49cd6e892139204329fd [0,0,0,0,0,0|3,0,0]=3 23 B11R1.83 CCNc1ccc(cn1)CCl bad0456b7ad899482cd7abdb1d9f5c14 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.83 CCNc1ccc(cn1)CO b2ef5ebdae0d4db3d201310de7a4fabc [0,0,0,0,0,0|4,0,0]=4 25 B11R1.83 CCNc1ccc(cn1)OC c44cfeb78976afe80be2656977c9bd4f [0,0,0,0,0,0|2,0,0]=2 26 B11R1.83 CCNc1ccc(nc1)C#N 7bdef527cd53c10e5e168407ba8e41d7 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.83 CCNc1ccc(nc1)C=O e9ae26db13ed7f812a2c4aa039ca3f6c [0,0,0,0,0,0|4,0,0]=4 28 B11R1.83 CCNc1ccc(nc1)CC ed0545ed4f0e08858b4cafb53becfa48 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.83 CCNc1ccc(nc1)CO 32decdece1ae877da592fbfd6271fbb9 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.83 CCNc1ccc(nc1)OC f4d105155d62bf756f43e6962da94cad [0,0,0,0,0,0|2,0,0]=2 31 B11R1.83 CCNc1ccc(nc1)SC e4f4528d7c9516b9369a516dc3c25bff [0,0,0,0,0,0|2,1,0]=3 32 B11R1.83 CCNc1ccc(nn1)CC 8194f56b6497d50d78184948b8b64ba9 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.83 CCNc1ccc(nn1)OC 502056786aa19003db3dde01043283fc [0,0,0,0,0,0|3,0,0]=3 34 B11R1.83 CCNc1cnc(cn1)CC b1c260fc929ccdb6c5ca86b49ba44d78 [0,0,0,0,0,0|4,0,0]=4 35 B11R1.83 CCNc1cnc(cn1)OC 1e0b597ad9de907a50677404c1b53ad0 [0,0,0,0,0,0|3,0,0]=3 36 B11R1.83 CCNc1cnc(cn1)SC b0ead95d36ced0911af2395146c0413a [0,0,0,0,0,0|3,1,0]=4 37 B11R1.83 CCNc1cnc(nc1)CC ea81a24da6ebc5751ac1af1d4dd04620 [0,0,0,0,0,0|4,0,0]=4 38 B11R1.83 CCNc1cnc(nc1)OC 3c8d15c0fe2cffc16be4aa9092baec6e [0,0,0,0,0,0|3,0,0]=3 39 B11R1.83 CCNc1cnc(nc1)SC 416a7a6832c2b5b5380da1ea0d6a013f [0,0,0,0,0,0|3,1,0]=4 40 B11R1.83 CCNc1ncc(cn1)CC d56105fe4e12809560a75b4915c82865 [0,0,0,0,0,0|4,0,0]=4 41 B11R1.83 CCNc1ncc(cn1)OC 17e0ed27ce0f6a9194cffe5a358b1054 [0,0,0,0,0,0|3,0,0]=3 42 B11R1.83 CCOc1ccc(cc1)C#N 9b013ab74d3621a0af682769151817d3 [0,0,0,0,0,0|3,0,0]=3 43 B11R1.83 CCOc1ccc(cc1)C=O a91e11e6046c836fde6a9c8c50bcee5f [0,0,0,0,0,0|3,0,0]=3 44 B11R1.83 CCOc1ccc(cc1)CC 130be86bb5623a5d2837998dae082a29 [0,0,0,0,0,0|2,0,0]=2 45 B11R1.83 CCOc1ccc(cc1)N=O 225b842c68d4b1757d171cfe2fef0d02 [0,0,0,0,0,0|3,0,0]=3 46 B11R1.83 CCOc1ccc(cc1)OC 78aacf22e7f5ffe52b6720f42ae387fa [0,0,0,0,0,0|1,0,0]=1 47 B11R1.83 CCOc1ccc(cc1)SC 5d7f5467819db3ffd93e8fef63951787 [0,0,0,0,0,0|1,1,0]=2 48 B11R1.83 CCOc1ccc(cn1)C#N 80958719ab89ca438777f7f342100b12 [0,0,0,0,0,0|4,0,0]=4 49 B11R1.83 CCOc1ccc(cn1)C=O 3b8b64fa974f689fe9a33594fdaa0596 [0,0,0,0,0,0|4,0,0]=4 50 B11R1.83 CCOc1ccc(cn1)CC 6d51854703469b0768698f622026110f [0,0,0,0,0,0|3,0,0]=3 51 B11R1.83 CCOc1ccc(cn1)OC 317a1dd4ab9e793923d1d905a3d1d440 [0,0,0,0,0,0|2,0,0]=2 52 B11R1.83 CCOc1ccc(nc1)C#N 6c570cf21a413fd4c6ff19c3a676637f [0,0,0,0,0,0|4,0,0]=4 53 B11R1.83 CCOc1ccc(nc1)C=O 202597c6655fff3a69ca3db66d69956a [0,0,0,0,0,0|4,0,0]=4 54 B11R1.83 CCOc1ccc(nc1)OC 2366f122826286c6a23f77bfc0704bc4 [0,0,0,0,0,0|2,0,0]=2 55 B11R1.83 CCOc1ccc(nc1)SC b9a09235c2254d468c46a6675ec10ee5 [0,0,0,0,0,0|2,1,0]=3 56 B11R1.83 CCOc1cnc(cn1)CC e954624381e3b869dac32b01820557f8 [0,0,0,0,0,0|4,0,0]=4 57 B11R1.83 CCOc1cnc(nc1)OC 4d20e0e82d1b41d74367ad3908dd935c [0,0,0,0,0,0|3,0,0]=3 58 B11R1.83 CCOc1cnc(nc1)SC 84e278a931a0822fac52e4e636de3e25 [0,0,0,0,0,0|3,1,0]=4 59 B11R1.83 CCc1ccc(cc1)NC=O 3e8610d99c2c76fe0a620af2485f9af7 [0,0,0,0,0,0|3,0,1]=4 60 B11R1.83 CCc1ccc(cc1)NCF 85d93b0251dae4defb6a8b0684fd5c6f [0,0,0,0,0,0|3,0,0]=3 61 B11R1.83 CCc1ccc(cc1)NCO 2632ca5f43af05f14260cfd180617e8c [0,0,0,0,0,0|3,0,0]=3 62 B11R1.83 CCc1ccc(cc1)OCF 7fda0752555f0e54fed3e99d547f54fb [0,0,0,0,0,0|3,0,0]=3 63 B11R1.83 CCc1ccc(cn1)NCF 2b56b1fb3fc804f38846165e0b665a1b [0,0,0,0,0,0|4,0,0]=4 64 B11R1.83 CCc1ccc(cn1)NCO 448fbb26d918def19bd5ebe6d2b8ebd4 [0,0,0,0,0,0|4,0,0]=4 65 B11R1.83 CCc1ccc(nc1)NCF 9b543f9050432152c7334595206f4e4d [0,0,0,0,0,0|4,0,0]=4 66 B11R1.83 CCc1ccc(nc1)NCO 6bf6c4251ee472cd6e4171fe1ed438f7 [0,0,0,0,0,0|4,0,0]=4 67 B11R1.83 CCc1ccc(nc1)OCF 6eb78db6499845fb8aaa997c84af7389 [0,0,0,0,0,0|4,0,0]=4 68 B11R1.83 COc1ccc(cc1)NC=O ac87369c17c8363b04f17408dd3a8237 [0,0,0,0,0,0|2,0,1]=3 69 B11R1.83 COc1ccc(cc1)NCF d45382bc213abd913ca6658bada7be75 [0,0,0,0,0,0|2,0,0]=2 70 B11R1.83 COc1ccc(cc1)NCO d05625bdde7ec9fe93b3548602d63490 [0,0,0,0,0,0|2,0,0]=2 71 B11R1.83 COc1ccc(cc1)OCF c57197c0057f1929b85da0b4d46da439 [0,0,0,0,0,0|2,0,0]=2 72 B11R1.83 COc1ccc(cn1)NC=O d82d033ac2ee0dd752f2c90ad770ea29 [0,0,0,0,0,0|3,0,1]=4 73 B11R1.83 COc1ccc(cn1)NCF 39e62065a62a86d57ae69932d291a713 [0,0,0,0,0,0|3,0,0]=3 74 B11R1.83 COc1ccc(cn1)NCO 09127ddff408bb354a59d7b9e22d409b [0,0,0,0,0,0|3,0,0]=3 75 B11R1.83 COc1ccc(cn1)OCF 52c7d05416d2e2398b33c9d89007009a [0,0,0,0,0,0|3,0,0]=3 76 B11R1.83 COc1ccc(nc1)NC#N f51ed63f3e7cec9235239acf880f521c [0,0,0,0,0,0|3,0,1]=4 77 B11R1.83 COc1ccc(nc1)NC=O bf678dc9ba2fd7220284555df5bbb75b [0,0,0,0,0,0|3,0,1]=4 78 B11R1.83 COc1ccc(nc1)NCF b418ee0c46a24e507b153d4fc3a033da [0,0,0,0,0,0|3,0,0]=3 79 B11R1.83 COc1ccc(nc1)NCO dd971740949b3bd033bf931487b208d5 [0,0,0,0,0,0|3,0,0]=3 80 B11R1.83 COc1ccc(nc1)OCF 4bc4bb56cbf9916e2cdbb0ffc7417346 [0,0,0,0,0,0|3,0,0]=3 81 B11R1.83 COc1ccc(nn1)NCF 6f7c96cc3aa4e009e118565b0668c2cd [0,0,0,0,0,0|4,0,0]=4 82 B11R1.83 COc1ccc(nn1)NCO 07870c44999ad5c34bcc57ae8505e422 [0,0,0,0,0,0|4,0,0]=4 83 B11R1.83 COc1cnc(cn1)NCF 2b16ebbd96e39f5eb794053507d956cc [0,0,0,0,0,0|4,0,0]=4 84 B11R1.83 COc1cnc(cn1)NCO eae53abdc01660ca88fb05d9c183601b [0,0,0,0,0,0|4,0,0]=4 85 B11R1.83 COc1cnc(nc1)NCF e30dc224efb5f1a7ececf177d6d91748 [0,0,0,0,0,0|4,0,0]=4 86 B11R1.83 COc1cnc(nc1)NCO 5ebad841c6e425e886ea691617b02553 [0,0,0,0,0,0|4,0,0]=4 87 B11R1.83 COc1ncc(cn1)NCF b1ee82de5e58f5c0c308766db4c6bdc4 [0,0,0,0,0,0|4,0,0]=4 88 B11R1.83 COc1ncc(cn1)NCO e0acc19eaf883c167ea042750d4c7983 [0,0,0,0,0,0|4,0,0]=4 89 B11R1.83 COc1ncc(cn1)OCF 5ffad7d181417be49f99342ff5f33b53 [0,0,0,0,0,0|4,0,0]=4 90 B11R1.83 CSc1ccc(cc1)NC=O 9ba6c9bfa858e9ab1b1e9ea1b6cf97ce [0,0,0,0,0,0|2,1,1]=4 91 B11R1.83 CSc1ccc(cc1)NCF ccdeb19563ab831152cacec8a4c44c6e [0,0,0,0,0,0|2,1,0]=3 92 B11R1.83 CSc1ccc(cc1)NCO 61331800f1d8bc8bf7eb6fb9ed195143 [0,0,0,0,0,0|2,1,0]=3 93 B11R1.83 CSc1ccc(cc1)OCF e48244d1e7ba47db5989fabc9a3a04ba [0,0,0,0,0,0|2,1,0]=3 94 B11R1.83 CSc1ccc(cn1)NCF f7f1577a7266a68b3309b17523743857 [0,0,0,0,0,0|3,1,0]=4 95 B11R1.83 CSc1ccc(cn1)NCO 33f71da7e0ea6a915e6025e35602f12d [0,0,0,0,0,0|3,1,0]=4 96 B11R1.83 CSc1ccc(cn1)OCF ec77fac3ac2d82249e3936e0e8debca0 [0,0,0,0,0,0|3,1,0]=4 97 B11R1.83 CSc1ccc(nc1)NCO 4ab18f812ec936e4cf714493389c079e [0,0,0,0,0,0|3,1,0]=4 98 B11R1.83 N#Cc1ccc(cc1)NCF a26c49ae1ca77d92ac427b1103d9b4da [0,0,0,0,0,0|4,0,0]=4 99 B11R1.83 N#Cc1ccc(cc1)NCO 8aa8cbbcf93221243fa8bcf461b6f0af [0,0,0,0,0,0|4,0,0]=4 100 B11R1.83 N#Cc1ccc(cc1)OCF bcd0ae2cb5810bd40e4bba884acde04f [0,0,0,0,0,0|4,0,0]=4 101 B11R1.83 O=Cc1ccc(cc1)NCF 6e9507808f661692c4995ce01d7149d7 [0,0,0,0,0,0|4,0,0]=4 102 B11R1.83 O=Cc1ccc(cc1)NCO 5d1b19988396e75b9401946c178d10c0 [0,0,0,0,0,0|4,0,0]=4 103 B11R1.83 O=Cc1ccc(cc1)OCF 1650bb97f47d4d35a5c8149a03d0d3f8 [0,0,0,0,0,0|4,0,0]=4 104 B11R1.83 O=Nc1ccc(cc1)OCF 4703797660d3f0cf5ebd83d127a70814 [0,0,0,0,0,0|4,0,0]=4 105 B11R1.83 OCNc1ccc(cc1)CO 06500d7c83368639569a416a5b107792 [0,0,0,0,0,0|4,0,0]=4 106 B11R1.83 OCc1ccc(cc1)NCF 218f158d350783ab9345a7da23e59114 [0,0,0,0,0,0|4,0,0]=4 107 B10R1.1 CCNc1ccc(=O)[nH]c1 cda5f6466914b9089a8f399c4d41b9f1 [1,0,0,0,0,0|2,0,1]=4 108 B10R1.1 CCNc1ccc(cc1)Br e7368b650d842df07f1a9668bf0b4031 [1,0,0,0,0,0|2,0,0]=3 109 B10R1.1 CCNc1ccc(cc1)C 5bd280a2c0e051bd626f67ade06cc665 [1,0,0,0,0,0|1,0,0]=2 110 B10R1.1 CCNc1ccc(cc1)Cl 78a77ff2de1029463881d0096e3c40b4 [1,0,0,0,0,0|2,0,0]=3 111 B10R1.1 CCNc1ccc(cc1)F 7245e23faec7214139cc638d5d7041df [1,0,0,0,0,0|2,0,0]=3 112 B10R1.1 CCNc1ccc(cc1)I 08dbf719260fe2b9101a362dcb5b3f5c [1,0,0,0,0,0|2,0,0]=3 113 B10R1.1 CCNc1ccc(cc1)S d391e984cf82ddd3585ab73e3af8af78 [1,0,0,0,0,0|1,1,0]=3 114 B10R1.1 CCNc1ccc(cn1)Br 639f883e838120d440c275f266387630 [1,0,0,0,0,0|3,0,0]=4 115 B10R1.1 CCNc1ccc(cn1)C fb256d19526c3e4e7db09097bf1226ae [1,0,0,0,0,0|2,0,0]=3 116 B10R1.1 CCNc1ccc(cn1)Cl 86942235d68fec688c4d98a640636bda [1,0,0,0,0,0|3,0,0]=4 117 B10R1.1 CCNc1ccc(cn1)F bc6bc6f1cc565acba301cdb52762e02f [1,0,0,0,0,0|3,0,0]=4 118 B10R1.1 CCNc1ccc(cn1)I 52b76d004d4ec36a1450a88eb15ee235 [1,0,0,0,0,0|3,0,0]=4 119 B10R1.1 CCNc1ccc(nc1)Br 59c1c575d4cf738922707e4ac33945e2 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.1 CCNc1ccc(nc1)C c6a305032b477973c3c3fbf0a9e4e681 [1,0,0,0,0,0|2,0,0]=3 121 B10R1.1 CCNc1ccc(nc1)Cl a3742bd50e5ddc0bb8d9bcc0351dba6f [1,0,0,0,0,0|3,0,0]=4 122 B10R1.1 CCNc1ccc(nc1)F 1c8d0a2e7c3ebc9b796eced21d4d67da [1,0,0,0,0,0|3,0,0]=4 123 B10R1.1 CCNc1ccc(nc1)I b055045d2de39aafb4b6d6710f7ae0e8 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.1 CCNc1ccc(nn1)C 2df667a473be0707f8096766eec8d6da [1,0,0,0,0,0|3,0,0]=4 125 B10R1.1 CCNc1cnc(cn1)C 941166f6068049435314cb9c37d7492a [1,0,0,0,0,0|3,0,0]=4 126 B10R1.1 CCNc1cnc(nc1)C dbe594b14a04dd73ff8c9bcf511ef8e0 [1,0,0,0,0,0|3,0,0]=4 127 B10R1.1 CCNc1ncc(cn1)C 3f4bd72477650785097ae0cf22dff716 [1,0,0,0,0,0|3,0,0]=4 128 B10R1.1 CCOc1ccc(cc1)Br 0e76a95a836dd2981a43d0b194227fd8 [1,0,0,0,0,0|2,0,0]=3 129 B10R1.1 CCOc1ccc(cc1)C 26efd14f9e8649940b64cdf1b3738f1b [1,0,0,0,0,0|1,0,0]=2 130 B10R1.1 CCOc1ccc(cc1)Cl 945eb2c259d4cb8905c1789c25d510a9 [1,0,0,0,0,0|2,0,0]=3 131 B10R1.1 CCOc1ccc(cc1)F 5faab7d15ff0cf2f779560e4d5e7448c [1,0,0,0,0,0|2,0,0]=3 132 B10R1.1 CCOc1ccc(cc1)I 53aa34317b2540d22d9ec7de628cac3d [1,0,0,0,0,0|2,0,0]=3 133 B10R1.1 CCOc1ccc(cc1)S 99269a211e814d9abbdc09864e525389 [1,0,0,0,0,0|1,1,0]=3 134 B10R1.1 CCOc1ccc(cn1)C f777259bf4373954cda4bbb8405a47a2 [1,0,0,0,0,0|2,0,0]=3 135 B10R1.1 CCOc1ccc(cn1)Cl cd4f070a79f4939e7eca32fa7a8d0e7f [1,0,0,0,0,0|3,0,0]=4 136 B10R1.1 CCOc1ccc(cn1)F b50f8cb60dc9806fa9d9175eac7405e9 [1,0,0,0,0,0|3,0,0]=4 137 B10R1.1 CCOc1ccc(cn1)I 134eef0ef437844eb5a79430a3f4f022 [1,0,0,0,0,0|3,0,0]=4 138 B10R1.1 CCOc1ccc(nc1)Br bac9395e09cd94d673b47afe64f445de [1,0,0,0,0,0|3,0,0]=4 139 B10R1.1 CCOc1ccc(nc1)C a681f7f0cc1b45047bb455631f3beced [1,0,0,0,0,0|2,0,0]=3 140 B10R1.1 CCOc1ccc(nc1)Cl 1b78e4b95bbcd168fec166181ff52b61 [1,0,0,0,0,0|3,0,0]=4 141 B10R1.1 CCOc1ccc(nc1)F a0e05acc1f44f1bf919de4da94e9dd90 [1,0,0,0,0,0|3,0,0]=4 142 B10R1.1 CCOc1ccc(nc1)I 131dd3afd2712c4ddfbf28645dd95597 [1,0,0,0,0,0|3,0,0]=4 143 B10R1.1 CCOc1ccc(nn1)C ee9fd1014ff64a75b92c11dd9cb2cc10 [1,0,0,0,0,0|3,0,0]=4 144 B10R1.1 CCOc1cnc(cn1)C a6786d3b21f17a52c07e0a7cd8d71436 [1,0,0,0,0,0|3,0,0]=4 145 B10R1.1 CCOc1cnc(nc1)C d7956e7814c65fdaee661cddc1d6f6d3 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.1 CCOc1ncc(cn1)C 56af84268e29eb3d38823688824a5b11 [1,0,0,0,0,0|3,0,0]=4 147 B10R1.1 Cc1ccc(cc1)NC=O 744bdaf803f21c7628c38778fb4c30d0 [1,0,0,0,0,0|2,0,1]=4 148 B10R1.1 Cc1ccc(cc1)NCF bc1e070a03926f4bf6c7312d5f79c7d7 [1,0,0,0,0,0|2,0,0]=3 149 B10R1.1 Cc1ccc(cc1)NCO 626a801ae48c57fa3fcbb53e76d595f1 [1,0,0,0,0,0|2,0,0]=3 150 B10R1.1 Cc1ccc(cc1)OCF 1ff33ac4ceb2cbf44a59770aa34ca71f [1,0,0,0,0,0|2,0,0]=3 151 B10R1.1 Cc1ccc(cn1)NCF f847d1a4bbb87566340c9e5a24558a24 [1,0,0,0,0,0|3,0,0]=4 152 B10R1.1 Cc1ccc(cn1)NCO fd814a39a039a510f879e6acc6bae8ec [1,0,0,0,0,0|3,0,0]=4 153 B10R1.1 Cc1ccc(cn1)OCF 74689607a43c2a9e18ce0cd22a8d942d [1,0,0,0,0,0|3,0,0]=4 154 B10R1.1 Cc1ccc(nc1)NCF fe6e1acd0e3bc2d9ee7e6564901f4999 [1,0,0,0,0,0|3,0,0]=4 155 B10R1.1 Cc1ccc(nc1)NCO a3d787a21cbcad7f0f8fd58a7dfe7945 [1,0,0,0,0,0|3,0,0]=4 156 B10R1.1 Cc1ccc(nc1)OCF 17072532157ece6c6315bad9dab956ea [1,0,0,0,0,0|3,0,0]=4 157 B10R1.1 FCNc1ccc(cc1)Br 9a61248e2cb3b89f6eda1c85794bcc18 [1,0,0,0,0,0|3,0,0]=4 158 B10R1.1 FCNc1ccc(cc1)Cl 758cd93e824e8d8fe0f2c7b44d621ed4 [1,0,0,0,0,0|3,0,0]=4 159 B10R1.1 FCNc1ccc(cc1)F 371043c79a08be334292394da386365b [1,0,0,0,0,0|3,0,0]=4 160 B10R1.1 FCNc1ccc(cc1)I c777c25d05ef7069ce73e36f40a5c833 [1,0,0,0,0,0|3,0,0]=4 161 B10R1.1 FCNc1ccc(cc1)S 4e916ab7b0222d51e372a5dff4038b6f [1,0,0,0,0,0|2,1,0]=4 162 B10R1.1 FCOc1ccc(cc1)Br bc13401ff1b5b76f437683a94bdf2ed8 [1,0,0,0,0,0|3,0,0]=4 163 B10R1.1 FCOc1ccc(cc1)Cl 4e8cdf8131543ffc8a8f19ac10dd354e [1,0,0,0,0,0|3,0,0]=4 164 B10R1.1 FCOc1ccc(cc1)F d9961c874524e60966f13168de74d68e [1,0,0,0,0,0|3,0,0]=4 165 B10R1.1 FCOc1ccc(cc1)I 31e9a7d342257542e659914127a8d1e9 [1,0,0,0,0,0|3,0,0]=4 166 B10R1.1 FCOc1ccc(cc1)S 3c6768610977ef2105a56aef384b857c [1,0,0,0,0,0|2,1,0]=4 167 B10R1.1 OCNc1ccc(cc1)Br 8a6f77c6bbe9ea4e056c3d8d66d7853d [1,0,0,0,0,0|3,0,0]=4 168 B10R1.1 OCNc1ccc(cc1)Cl 86437eba67664b7a79a0b9f1be727594 [1,0,0,0,0,0|3,0,0]=4 169 B10R1.1 OCNc1ccc(cc1)F 713130e1345d066522caa5c40a69b374 [1,0,0,0,0,0|3,0,0]=4 170 B10R1.1 OCNc1ccc(cc1)I b3ec7df4f137e654c56c2616ca2d7a8a [1,0,0,0,0,0|3,0,0]=4 171 B10R1.1 OCNc1ccc(cc1)S a2d81e6a6f1ccdc29f69d5fbee093f77 [1,0,0,0,0,0|2,1,0]=4 172 B12R1.4 C#Cc1ccc(cc1)NC(C)C faa63853dbda923b2c126c30ff9bfa23 [0,1,0,0,0,0|2,0,1]=4 173 B12R1.4 C#Cc1ccc(cc1)OC(C)C e3463961332c304b58817ff8d4b0b05b [0,1,0,0,0,0|2,0,1]=4 174 B12R1.4 C=Cc1ccc(cc1)NC(C)C 21a2df0a267e794d3f3240b8e563ad23 [0,1,0,0,0,0|2,0,1]=4 175 B12R1.4 C=Cc1ccc(cc1)OC(C)C c83cc47632832c79bb2fdd3080632eb6 [0,1,0,0,0,0|2,0,1]=4 176 B12R1.4 CC(C)Nc1ccc(cc1)C#N 34a536a6643fc1e460a58fed59492391 [0,1,0,0,0,0|3,0,0]=4 177 B12R1.4 CC(C)Nc1ccc(cc1)C=O 62ba5962698d35c68b71a115e0b568ab [0,1,0,0,0,0|3,0,0]=4 178 B12R1.4 CC(C)Nc1ccc(cc1)CO 2893829c5855e3498ec30daf5a92b3f9 [0,1,0,0,0,0|3,0,0]=4 179 B12R1.4 CC(C)Oc1ccc(cc1)C#N 847015a9d4bd458f57d946e8956cc9c1 [0,1,0,0,0,0|3,0,0]=4 180 B12R1.4 CC(C)Oc1ccc(cc1)C=O 2397d983c0762938a0582225e128d3b0 [0,1,0,0,0,0|3,0,0]=4 181 B12R1.4 CC(C)Oc1ccc(cc1)N=O e461c6ac1751e2be8c322e20efd1c111 [0,1,0,0,0,0|3,0,0]=4 182 B12R1.4 CCc1ccc(cc1)NC(=O)C fd4fbb7789d8d26e77cb294ee4075791 [0,1,0,0,0,0|2,0,1]=4 183 B12R1.4 CCc1ccc(cc1)NC(C)C 3ed99f3debb7261e07191e58d03b9e98 [0,1,0,0,0,0|2,0,0]=3 184 B12R1.4 CCc1ccc(cc1)OC(C)C c47fe5ab2b90199662fd8ab843de2974 [0,1,0,0,0,0|2,0,0]=3 185 B12R1.4 CCc1ccc(cn1)NC(C)C 4bdaf5322c1240dc87cfbd7d6c48b9fc [0,1,0,0,0,0|3,0,0]=4 186 B12R1.4 CCc1ccc(nc1)NC(C)C dd63af80aa1271de99e01e6619c2e3f7 [0,1,0,0,0,0|3,0,0]=4 187 B12R1.4 CCc1ccc(nc1)OC(C)C 85b55bfa1c4b791a2b861f6df3adb4e6 [0,1,0,0,0,0|3,0,0]=4 188 B12R1.4 COc1ccc(cc1)NC(=O)C 61833518ec9f67d30125afaa9c6d53b4 [0,1,0,0,0,0|1,0,1]=3 189 B12R1.4 COc1ccc(cc1)NC(C)C ad2f50ef0d3f01d7a0822fd855d76ce7 [0,1,0,0,0,0|1,0,0]=2 190 B12R1.4 COc1ccc(cc1)OC(C)C 8ab9bf357f184746ac612b947f092324 [0,1,0,0,0,0|1,0,0]=2 191 B12R1.4 COc1ccc(cn1)NC(=O)C 790ac623225a203381388074d389f1ce [0,1,0,0,0,0|2,0,1]=4 192 B12R1.4 COc1ccc(cn1)NC(C)C c3362d4fb4f2d791ad1ef8955849e43c [0,1,0,0,0,0|2,0,0]=3 193 B12R1.4 COc1ccc(cn1)OC(C)C 9ef739a38a83780f0b70a82f0fce73c0 [0,1,0,0,0,0|2,0,0]=3 194 B12R1.4 COc1ccc(nc1)NC(=O)C f042c98476e57a2bbcd5ba399104aceb [0,1,0,0,0,0|2,0,1]=4 195 B12R1.4 COc1ccc(nc1)NC(C)C d8b283d3974bedaeccfeb1897f8e542c [0,1,0,0,0,0|2,0,0]=3 196 B12R1.4 COc1ccc(nc1)OC(C)C c7cef5a8d6d24506e98d43f994220db1 [0,1,0,0,0,0|2,0,0]=3 197 B12R1.4 COc1ccc(nn1)NC(C)C af381bd1c32e87b563d69c2476b744cb [0,1,0,0,0,0|3,0,0]=4 198 B12R1.4 COc1cnc(cn1)NC(C)C 286d2081fda8d783edf2f49819ab1d2a [0,1,0,0,0,0|3,0,0]=4 199 B12R1.4 COc1cnc(nc1)NC(C)C 6640d86911a47b9554cbe37130f1b698 [0,1,0,0,0,0|3,0,0]=4 200 B12R1.4 COc1ncc(cn1)NC(C)C 799ba10c41a5fc82385f90cda9760da8 [0,1,0,0,0,0|3,0,0]=4 201 B12R1.4 COc1ncc(cn1)OC(C)C cbb3141a37c2b5b0af4c0f8b64710f06 [0,1,0,0,0,0|3,0,0]=4 202 B12R1.4 CSc1ccc(cc1)NC(=O)C d9e42278a7f385aaf073985d52a28c35 [0,1,0,0,0,0|1,1,1]=4 203 B12R1.4 CSc1ccc(cc1)NC(C)C 8046d202268d2a850a12d3ac6096b479 [0,1,0,0,0,0|1,1,0]=3 204 B12R1.4 CSc1ccc(cc1)OC(C)C e0501229b5d29bc5e4bd3d8921e409c4 [0,1,0,0,0,0|1,1,0]=3 205 B12R1.4 CSc1ccc(cn1)NC(C)C 4c994a6cca553e3e701cafacf129c7cd [0,1,0,0,0,0|2,1,0]=4 206 B12R1.4 CSc1ccc(cn1)OC(C)C c8b09d15930bea4a2429fe6592a6bb58 [0,1,0,0,0,0|2,1,0]=4 207 B12R1.4 CSc1ccc(nc1)NC(C)C d27e4c74853a74d904af4b85d2431fa4 [0,1,0,0,0,0|2,1,0]=4 208 B12R1.5 CCN(C)c1ccc(cc1)C=O a0fd570706483771aa49a936d2f3cb21 [0,1,0,0,0,0|3,0,0]=4 209 B12R1.5 CCN(C)c1ccc(cc1)CO 0442e642b28dc09b9f3aa7725617709c [0,1,0,0,0,0|3,0,0]=4 210 B12R1.5 CCN(C)c1ccc(cc1)NO a1b55ac79d706b4a728ba723b7fae4a6 [0,1,0,0,0,0|3,0,0]=4 211 B12R1.5 CCN(C)c1ccc(cc1)OC 06581141c2809c0bc310ea7a67bd5102 [0,1,0,0,0,0|1,0,0]=2 212 B12R1.5 CCN(C)c1ccc(cc1)SC da51693642669f4ac0f642dfc3a52b8b [0,1,0,0,0,0|1,1,0]=3 213 B12R1.5 CCN(C)c1ccc(cn1)OC b51ff77b35b7946b1d13a092de119015 [0,1,0,0,0,0|2,0,0]=3 214 B12R1.5 CCN(C)c1ccc(nc1)OC ecc8bd9bb5a1010f8ba65912e5e3e004 [0,1,0,0,0,0|2,0,0]=3 215 B12R1.5 COc1ccc(cc1)N(C)C=O 5bb0b6faea39a06966152d934d5acd3b [0,1,0,0,0,0|2,0,1]=4 216 B12R1.5 COc1ccc(cc1)N(C)CF d39b3366aec32235dd3334b33e15739f [0,1,0,0,0,0|2,0,0]=3 217 B12R1.5 COc1ccc(cc1)N(C)CO bcd2162661e5844ae708a4240803596f [0,1,0,0,0,0|2,0,0]=3 218 B12R1.5 COc1ccc(cn1)N(C)CO c484a89bc85a58fcfef21c5263d04046 [0,1,0,0,0,0|3,0,0]=4 219 B12R1.5 COc1ccc(nc1)N(C)CF 91743e0c04847d452b9639cefee89591 [0,1,0,0,0,0|3,0,0]=4 220 B12R1.5 COc1ccc(nc1)N(C)CO 33985f9544c10c7c432ad4043ff4ea54 [0,1,0,0,0,0|3,0,0]=4 221 B12R1.5 CSc1ccc(cc1)N(C)CF 657174a66754cb103b73779d135c77e9 [0,1,0,0,0,0|2,1,0]=4 222 B12R1.5 CSc1ccc(cc1)N(C)CO 7392392f522a86f3fecb1588d6d5bf37 [0,1,0,0,0,0|2,1,0]=4 223 B12R1.71 C#CCNc1ccc(cc1)CC e396c4de5b143acbbcdc9604b82ec461 [0,1,0,0,0,0|1,0,2]=4 224 B12R1.71 C#CCNc1ccc(cc1)OC 5e3ad091da9c599ba023ae1f8b49852b [0,1,0,0,0,0|0,0,2]=3 225 B12R1.71 C#CCNc1ccc(cc1)SC 8e6ee234d7b9349b8e14aaa2efd9475e [0,1,0,0,0,0|0,1,2]=4 226 B12R1.71 C#CCNc1ccc(cn1)OC 93c817a91300dafeedc9e7479332c5c5 [0,1,0,0,0,0|1,0,2]=4 227 B12R1.71 C#CCNc1ccc(nc1)OC dd540a037a016bdd0626c2163a1d8be1 [0,1,0,0,0,0|1,0,2]=4 228 B12R1.71 C#CCOc1ccc(cc1)CC 12f1b0744bbf1dee49cddc74f742bebb [0,1,0,0,0,0|1,0,2]=4 229 B12R1.71 C#CCOc1ccc(cc1)OC e995825f42e3fbf1c0cf9cf8550df4ea [0,1,0,0,0,0|0,0,2]=3 230 B12R1.71 C#CCOc1ccc(cc1)SC 4f53f1f6b9a90d293fc1db3601e2a2f1 [0,1,0,0,0,0|0,1,2]=4 231 B12R1.71 C#CCOc1ccc(cn1)OC c19ea7136817c4de852d5842546a4ca6 [0,1,0,0,0,0|1,0,2]=4 232 B12R1.71 C#CCOc1ccc(nc1)OC fdd8fbee0c6a798964d2015013713b7d [0,1,0,0,0,0|1,0,2]=4 233 B12R1.71 C#Cc1ccc(cc1)CNCC acc607984157ec81c8ea429f261669f7 [0,1,0,0,0,0|1,0,1]=3 234 B12R1.71 C#Cc1ccc(cc1)CNCF 9c6f998faeb37f97d269d057916d1bc4 [0,1,0,0,0,0|2,0,1]=4 235 B12R1.71 C#Cc1ccc(cc1)CNCO f9bad6c2828b67eb2a94c7c04d7afe72 [0,1,0,0,0,0|2,0,1]=4 236 B12R1.71 C#Cc1ccc(cc1)COCC 6230cf57368c1296ff15e77e9a34441e [0,1,0,0,0,0|1,0,1]=3 237 B12R1.71 C#Cc1ccc(cc1)COCF e957908427960b2db635360d63f96974 [0,1,0,0,0,0|2,0,1]=4 238 B12R1.71 C#Cc1ccc(cc1)NCCC fc9cf895565fa4232c2247830c975af6 [0,1,0,0,0,0|1,0,1]=3 239 B12R1.71 C#Cc1ccc(cc1)NCCF 0216074e1f87df0e609b9b9371eb4088 [0,1,0,0,0,0|2,0,1]=4 240 B12R1.71 C#Cc1ccc(cc1)NCCO 6864288a8944c1dcd65fcf8c5c515a0f [0,1,0,0,0,0|2,0,1]=4 241 B12R1.71 C#Cc1ccc(cc1)NCCS 4a20beb128d011d955b5d868503912e9 [0,1,0,0,0,0|2,0,1]=4 242 B12R1.71 C#Cc1ccc(cc1)NCOC 8ca9ce20d0ea96738b25a8aa9280d05b [0,1,0,0,0,0|2,0,1]=4 243 B12R1.71 C#Cc1ccc(cc1)NCSC 25e5b187fef384a688991cda8ab8283e [0,1,0,0,0,0|2,0,1]=4 244 B12R1.71 C#Cc1ccc(cc1)OCCC 729d9bda0f3fb9c155366dcf1c6fe091 [0,1,0,0,0,0|1,0,1]=3 245 B12R1.71 C#Cc1ccc(cc1)OCCF 3cc45db4b63be0ad3c2cdf1a30c3db31 [0,1,0,0,0,0|2,0,1]=4 246 B12R1.71 C#Cc1ccc(cc1)OCCS c668a1e8e2102b883e40f98321e0a55e [0,1,0,0,0,0|2,0,1]=4 247 B12R1.71 C#Cc1ccc(cc1)OCOC 6ac80003833690c064283fc202bca712 [0,1,0,0,0,0|2,0,1]=4 248 B12R1.71 C#Cc1ccc(cc1)OCSC 79344a320c6f31b10317f66c8bcbd703 [0,1,0,0,0,0|2,0,1]=4 249 B12R1.71 C#Cc1ccc(cn1)NCCC 6f334be0196c421725457ac9042529f8 [0,1,0,0,0,0|2,0,1]=4 250 B12R1.71 C#Cc1ccc(nc1)COCC b60ee62c0b3397df5d20c7a51f69e313 [0,1,0,0,0,0|2,0,1]=4 251 B12R1.71 C#Cc1ccc(nc1)NCCC 527c840e3b3e58b9139da52ef31471ef [0,1,0,0,0,0|2,0,1]=4 252 B12R1.71 C#Cc1ccc(nc1)OCCC 2cdfe7e30e3734ae52cd2343274ae1b8 [0,1,0,0,0,0|2,0,1]=4 253 B12R1.71 C=CCNc1ccc(cc1)CC ee6ccaaac112d7b5de163c91f162a623 [0,1,0,0,0,0|1,0,2]=4 254 B12R1.71 C=CCNc1ccc(cc1)OC 7879fcf9c0ef007babe88b995bb49e8d [0,1,0,0,0,0|0,0,2]=3 255 B12R1.71 C=CCNc1ccc(cc1)SC a09a55ac58addb8f289fdcb80aff1412 [0,1,0,0,0,0|0,1,2]=4 256 B12R1.71 C=CCNc1ccc(cn1)OC 41c5253f7e9b55530bfc5ba8e9e7f798 [0,1,0,0,0,0|1,0,2]=4 257 B12R1.71 C=CCNc1ccc(nc1)OC 6a121acfa13c55e45f89f965f1015ea2 [0,1,0,0,0,0|1,0,2]=4 258 B12R1.71 C=CCOc1ccc(cc1)CC 62db6052befcc718fc496dad3a77b04e [0,1,0,0,0,0|1,0,2]=4 259 B12R1.71 C=CCOc1ccc(cc1)OC a7948b7707b8016602da4e4edb34709c [0,1,0,0,0,0|0,0,2]=3 260 B12R1.71 C=CCOc1ccc(cc1)SC 277e4bfe07351a797941fc9c177a6789 [0,1,0,0,0,0|0,1,2]=4 261 B12R1.71 C=CCOc1ccc(cn1)OC f3bd81e9f27a0a31140b94d8cd9765b1 [0,1,0,0,0,0|1,0,2]=4 262 B12R1.71 C=CCOc1ccc(nc1)OC 2a297efe0e79111c649b75de1a44bc8b [0,1,0,0,0,0|1,0,2]=4 263 B12R1.71 C=Cc1ccc(cc1)CNCC 8d26f36a09ed6bc1769933ec92c07439 [0,1,0,0,0,0|1,0,1]=3 264 B12R1.71 C=Cc1ccc(cc1)CNCF 63a5b17e7442bdc3a05c7188cf9e23e1 [0,1,0,0,0,0|2,0,1]=4 265 B12R1.71 C=Cc1ccc(cc1)CNCO 326767c21a5bb3b7de832c31b7eb1a60 [0,1,0,0,0,0|2,0,1]=4 266 B12R1.71 C=Cc1ccc(cc1)COCC 753e5692cf814e398fcce6513d26c7c7 [0,1,0,0,0,0|1,0,1]=3 267 B12R1.71 C=Cc1ccc(cc1)COCF 9b202ff7fbff44fe3c09533e95783efe [0,1,0,0,0,0|2,0,1]=4 268 B12R1.71 C=Cc1ccc(cc1)NCCC bea20e9a07d5c53108eb0f03c06182e1 [0,1,0,0,0,0|1,0,1]=3 269 B12R1.71 C=Cc1ccc(cc1)NCCF b451124631500ffd8056ce3b2963f391 [0,1,0,0,0,0|2,0,1]=4 270 B12R1.71 C=Cc1ccc(cc1)NCCI 47aed2912b32575a2482c77c36e2e683 [0,1,0,0,0,0|2,0,1]=4 271 B12R1.71 C=Cc1ccc(cc1)NCCO ca4c13f45ac429eaa817deeb315ffa6b [0,1,0,0,0,0|2,0,1]=4 272 B12R1.71 C=Cc1ccc(cc1)NCCS 508865847b6238736635cf8fdf646ce2 [0,1,0,0,0,0|2,0,1]=4 273 B12R1.71 C=Cc1ccc(cc1)NCOC 97cdddad96634b53cdafcb6e0644b48d [0,1,0,0,0,0|2,0,1]=4 274 B12R1.71 C=Cc1ccc(cc1)NCSC a71fd47777b9c428d068a5902116384d [0,1,0,0,0,0|2,0,1]=4 275 B12R1.71 C=Cc1ccc(cc1)OCCC 9289590995132c233aa3a872f79777ec [0,1,0,0,0,0|1,0,1]=3 276 B12R1.71 C=Cc1ccc(cc1)OCCF e66d9ae27466b417384c4aff817bd5ea [0,1,0,0,0,0|2,0,1]=4 277 B12R1.71 C=Cc1ccc(cc1)OCCS 952a32d0a5ef3d4321d5171b40617b2f [0,1,0,0,0,0|2,0,1]=4 278 B12R1.71 C=Cc1ccc(cc1)OCOC ac690c43d845204f0339230a58bbab80 [0,1,0,0,0,0|2,0,1]=4 279 B12R1.71 C=Cc1ccc(cc1)OCSC ec6c542e460d54358d81ca15a8632d0b [0,1,0,0,0,0|2,0,1]=4 280 B12R1.71 C=Cc1ccc(cn1)NCCC 70a4a677ea87a3e5e5136b53deae68a6 [0,1,0,0,0,0|2,0,1]=4 281 B12R1.71 C=Cc1ccc(nc1)NCCC 1b30bc56405fa5952d03097e6865eba2 [0,1,0,0,0,0|2,0,1]=4 282 B12R1.71 CCCNc1ccc(cc1)C#N c413f0c8235d8b24b660a942fae94e8f [0,1,0,0,0,0|2,0,0]=3 283 B12R1.71 CCCNc1ccc(cc1)C=O 9dbf29157f416c2cfd25aa5f07560af2 [0,1,0,0,0,0|2,0,0]=3 284 B12R1.71 CCCNc1ccc(cc1)CC 18681bd5a077639e070315f9c5ead6bc [0,1,0,0,0,0|1,0,0]=2 285 B12R1.71 CCCNc1ccc(cc1)CO ceb468625b15ce9adcfaf637f5d6e68b [0,1,0,0,0,0|2,0,0]=3 286 B12R1.71 CCCNc1ccc(cc1)NO 3dd6caa0f914c4ac2accf62bc38f2152 [0,1,0,0,0,0|2,0,0]=3 287 B12R1.71 CCCNc1ccc(cc1)OC 5ef38f04471b6d41619c77104109b7a1 [0,1,0,0,0,0|0,0,0]=1 288 B12R1.71 CCCNc1ccc(cc1)SC 5c3d3acd85641d2bc8849fea33561964 [0,1,0,0,0,0|0,1,0]=2 289 B12R1.71 CCCNc1ccc(cn1)C#N c868050f09e90fae1ec8dfe798fbd55e [0,1,0,0,0,0|3,0,0]=4 290 B12R1.71 CCCNc1ccc(cn1)C=O 8ebe3d89a4a30df4106f6d3cdca4ca46 [0,1,0,0,0,0|3,0,0]=4 291 B12R1.71 CCCNc1ccc(cn1)CC 40bd8774ce69450cdc3333e34fb9e7fa [0,1,0,0,0,0|2,0,0]=3 292 B12R1.71 CCCNc1ccc(cn1)CCl c614b7f413abc95f4c2c4272b47044f8 [0,1,0,0,0,0|3,0,0]=4 293 B12R1.71 CCCNc1ccc(cn1)CO 20f8b8bf4638e19d56bd302bdfed9399 [0,1,0,0,0,0|3,0,0]=4 294 B12R1.71 CCCNc1ccc(cn1)OC ec55645fc2d30a4f626d8e36e653c232 [0,1,0,0,0,0|1,0,0]=2 295 B12R1.71 CCCNc1ccc(nc1)C#N 4504454804c708a3e5693fc272d27257 [0,1,0,0,0,0|3,0,0]=4 296 B12R1.71 CCCNc1ccc(nc1)C=O d88950b7df383146d1decf3fdd2c1b4d [0,1,0,0,0,0|3,0,0]=4 297 B12R1.71 CCCNc1ccc(nc1)CC c136d14f01afdcd3ce18d33c558930ee [0,1,0,0,0,0|2,0,0]=3 298 B12R1.71 CCCNc1ccc(nc1)CO 7be90f8824450b08c76533715d24fa68 [0,1,0,0,0,0|3,0,0]=4 299 B12R1.71 CCCNc1ccc(nc1)OC 07613cd4680f3a74e7b48896540a87ae [0,1,0,0,0,0|1,0,0]=2 300 B12R1.71 CCCNc1ccc(nc1)SC b0f9bbf1276cad167758da602cc3e2ae [0,1,0,0,0,0|1,1,0]=3 301 B12R1.71 CCCNc1ccc(nn1)CC 979abc955f09abad9714ecbaacdd55f9 [0,1,0,0,0,0|3,0,0]=4 302 B12R1.71 CCCNc1ccc(nn1)OC 09dcf7cd313562fcd472e25dc8c18559 [0,1,0,0,0,0|2,0,0]=3 303 B12R1.71 CCCNc1ccc(nn1)SC b9bc649ef1acd56395ec00cf8a51cb3a [0,1,0,0,0,0|2,1,0]=4 304 B12R1.71 CCCNc1cnc(cn1)CC 0da3c036efa75fcb7770b6ab5a4a0014 [0,1,0,0,0,0|3,0,0]=4 305 B12R1.71 CCCNc1cnc(cn1)OC 864d16921996ca66bf4e83e373af9764 [0,1,0,0,0,0|2,0,0]=3 306 B12R1.71 CCCNc1cnc(cn1)SC d13b2f0110bdee4824fedbda1fe34021 [0,1,0,0,0,0|2,1,0]=4 307 B12R1.71 CCCNc1cnc(nc1)CC 432f1bb4a055966847d8f946bffa1313 [0,1,0,0,0,0|3,0,0]=4 308 B12R1.71 CCCNc1cnc(nc1)OC 28aeed63fd3bc722058be547d1aeedd8 [0,1,0,0,0,0|2,0,0]=3 309 B12R1.71 CCCNc1cnc(nc1)SC 56e2c51c17042a21ed8b145d9b93f025 [0,1,0,0,0,0|2,1,0]=4 310 B12R1.71 CCCNc1ncc(cn1)CC 3ca0d0383c9b6ff6bd34b9c75764c6e2 [0,1,0,0,0,0|3,0,0]=4 311 B12R1.71 CCCNc1ncc(cn1)OC eb81dba2e892ecdbe896723948268d12 [0,1,0,0,0,0|2,0,0]=3 312 B12R1.71 CCCOc1ccc(cc1)C#N 9ef65dc47341dcbe9f84aab2fa134c88 [0,1,0,0,0,0|2,0,0]=3 313 B12R1.71 CCCOc1ccc(cc1)C=O 4e37ed969b2e2dc144113d7cf8381fcd [0,1,0,0,0,0|2,0,0]=3 314 B12R1.71 CCCOc1ccc(cc1)CC 96cca871d75f432ff4ca383a1c75e964 [0,1,0,0,0,0|1,0,0]=2 315 B12R1.71 CCCOc1ccc(cc1)N=O e5113a838ca97c8bc7158f76255bd3fe [0,1,0,0,0,0|2,0,0]=3 316 B12R1.71 CCCOc1ccc(cc1)OC 0b61816165283f1506ed44c74ecbaebe [0,1,0,0,0,0|0,0,0]=1 317 B12R1.71 CCCOc1ccc(cc1)SC 479b0a3cc96ea63a2a5a2a1f41d91b56 [0,1,0,0,0,0|0,1,0]=2 318 B12R1.71 CCCOc1ccc(cn1)C#N a2cbd2d1992a84e5d0c3da2289acc5a3 [0,1,0,0,0,0|3,0,0]=4 319 B12R1.71 CCCOc1ccc(cn1)C=O 4bd15a674df01e5246ae9320c2634007 [0,1,0,0,0,0|3,0,0]=4 320 B12R1.71 CCCOc1ccc(cn1)CC 4e464b96ca93c783522edbc9e777e8bc [0,1,0,0,0,0|2,0,0]=3 321 B12R1.71 CCCOc1ccc(cn1)OC 8770cf1ff10c23f0403785c7cf39d6a4 [0,1,0,0,0,0|1,0,0]=2 322 B12R1.71 CCCOc1ccc(nc1)C#N 0deea24bccec8ddea5b542e790cf0e1e [0,1,0,0,0,0|3,0,0]=4 323 B12R1.71 CCCOc1ccc(nc1)C=O d569e05d488e5bd29df7cf08d4f9dce6 [0,1,0,0,0,0|3,0,0]=4 324 B12R1.71 CCCOc1ccc(nc1)OC a32273ea1961ca137a7341afa8ac3428 [0,1,0,0,0,0|1,0,0]=2 325 B12R1.71 CCCOc1ccc(nc1)SC d19114324697fe3a47b6c078d161bccf [0,1,0,0,0,0|1,1,0]=3 326 B12R1.71 CCCOc1cnc(cn1)CC 1ada71e53d998a5c8d07e3c66f1e429e [0,1,0,0,0,0|3,0,0]=4 327 B12R1.71 CCCOc1cnc(nc1)OC 6b2398909fdb083c3d6ba3bbce398f2a [0,1,0,0,0,0|2,0,0]=3 328 B12R1.71 CCCOc1cnc(nc1)SC a2ccf5dd3aeebdd1657d56d4a436d0e2 [0,1,0,0,0,0|2,1,0]=4 329 B12R1.71 CCNCc1ccc(cc1)C#N f12d5ea6f09c7c059e4c3dbf14cb481a [0,1,0,0,0,0|2,0,0]=3 330 B12R1.71 CCNCc1ccc(cc1)CBr becc461d015ad0df61a5c76d19f314f5 [0,1,0,0,0,0|2,0,0]=3 331 B12R1.71 CCNCc1ccc(cc1)CC 3e2fb788aa7dc44753168a8243395fdd [0,1,0,0,0,0|1,0,0]=2 332 B12R1.71 CCNCc1ccc(cc1)CO dcae13b21c0d781c4ec79c5c7375f026 [0,1,0,0,0,0|2,0,0]=3 333 B12R1.71 CCNCc1ccc(cc1)OC 590310c69085c3b6b7de5eeac9230511 [0,1,0,0,0,0|0,0,0]=1 334 B12R1.71 CCNCc1ccc(cc1)SC 00ccf471bad170335d0bab0647cf5701 [0,1,0,0,0,0|0,1,0]=2 335 B12R1.71 CCNCc1ccc(cn1)OC f05c3e7a77bc1aa1e62353c999916e24 [0,1,0,0,0,0|1,0,0]=2 336 B12R1.71 CCNCc1ccc(nc1)C#N 204ff2ca2901d314e98def2d0d696bf2 [0,1,0,0,0,0|3,0,0]=4 337 B12R1.71 CCNCc1ccc(nc1)CO eb231cb455651676ef8604e20a01df3d [0,1,0,0,0,0|3,0,0]=4 338 B12R1.71 CCNCc1ccc(nc1)OC 9124d8678e1aa7ce28d2b8871da0ed4c [0,1,0,0,0,0|1,0,0]=2 339 B12R1.71 CCNCc1ccc(nn1)OC d08b640725b0de77f6cabffe788ba352 [0,1,0,0,0,0|2,0,0]=3 340 B12R1.71 CCNCc1cnc(nc1)CC a10198624036b6573b2f2857605c981c [0,1,0,0,0,0|3,0,0]=4 341 B12R1.71 CCNCc1cnc(nc1)OC f34b3ccc5a3c301763657bad9fd54396 [0,1,0,0,0,0|2,0,0]=3 342 B12R1.71 CCOCc1ccc(cc1)C#N 3373887eb6a965dda8a3f3e05b72ab37 [0,1,0,0,0,0|2,0,0]=3 343 B12R1.71 CCOCc1ccc(cc1)C=O 63f61c534301d2fb19296914e9ec3a98 [0,1,0,0,0,0|2,0,0]=3 344 B12R1.71 CCOCc1ccc(cc1)CC 45f72f0a0f8fb8243e54c5aac869cd85 [0,1,0,0,0,0|1,0,0]=2 345 B12R1.71 CCOCc1ccc(cc1)OC d60caff2ba93c5dc9ab4d399fa52aa3c [0,1,0,0,0,0|0,0,0]=1 346 B12R1.71 CCOCc1ccc(cc1)SC 5e8be0892a30f0c5353894e85ab5ba9b [0,1,0,0,0,0|0,1,0]=2 347 B12R1.71 CCOCc1ccc(cn1)C#N 362d88b90615cef3ae0482395fe2fc7e [0,1,0,0,0,0|3,0,0]=4 348 B12R1.71 CCOCc1ccc(cn1)CC 77557226d1cb17e504f0c5774ab1bc46 [0,1,0,0,0,0|2,0,0]=3 349 B12R1.71 CCOCc1ccc(cn1)OC 68ee23be6983454168d0c17984e8abc4 [0,1,0,0,0,0|1,0,0]=2 350 B12R1.71 CCOCc1ccc(nc1)C#N 9090b1abdb59afd608dce9fb9c273159 [0,1,0,0,0,0|3,0,0]=4 351 B12R1.71 CCOCc1ccc(nc1)C=O 8493eb511aeeed5f9d02988f45d5b569 [0,1,0,0,0,0|3,0,0]=4 352 B12R1.71 CCOCc1ccc(nc1)OC 566e23df7992712fb54d688e28cd0520 [0,1,0,0,0,0|1,0,0]=2 353 B12R1.71 CCOCc1ccc(nc1)SC 67d91ca79f3cac4709e3809b9b67ffb3 [0,1,0,0,0,0|1,1,0]=3 354 B12R1.71 CCOCc1ccc(nn1)OC a8a004202a44a1229852a971694cb3fe [0,1,0,0,0,0|2,0,0]=3 355 B12R1.71 CCOCc1cnc(cn1)OC 700e6296e867667bcf36d3c7db337e49 [0,1,0,0,0,0|2,0,0]=3 356 B12R1.71 CCOCc1cnc(nc1)OC a19141071c68f5267ae55001ac9d6bbc [0,1,0,0,0,0|2,0,0]=3 357 B12R1.71 CCOCc1cnc(nc1)SC 98ef3ba6eb24b9b5f3c02ef3fa0acd33 [0,1,0,0,0,0|2,1,0]=4 358 B12R1.71 CCOCc1ncc(cn1)OC b0bd4171d9a955eb22657f2973cd5b4e [0,1,0,0,0,0|2,0,0]=3 359 B12R1.71 CCc1ccc(cc1)CNC#N 80eabb00c3e3720de9c0ac9819fcfdec [0,1,0,0,0,0|2,0,1]=4 360 B12R1.71 CCc1ccc(cc1)CNC=O bc83eb8e345133ec32fddcb0cc538975 [0,1,0,0,0,0|2,0,1]=4 361 B12R1.71 CCc1ccc(cc1)CNCF 37970714a8bf06b00feb4badc19d2ca3 [0,1,0,0,0,0|2,0,0]=3 362 B12R1.71 CCc1ccc(cc1)CNCO d6ef08e38bce48d4f302ca698d60897e [0,1,0,0,0,0|2,0,0]=3 363 B12R1.71 CCc1ccc(cc1)COCF 476622ea5ff8c5f296595de9335a942b [0,1,0,0,0,0|2,0,0]=3 364 B12R1.71 CCc1ccc(cc1)NCC#N 9198552693f3d8b73ae96e74b9b32953 [0,1,0,0,0,0|2,0,1]=4 365 B12R1.71 CCc1ccc(cc1)NCC=O f22b3f0d835260f3ea2a66b32f225d1e [0,1,0,0,0,0|2,0,1]=4 366 B12R1.71 CCc1ccc(cc1)NCCF d86db07219c9f0e04813cc2f3408d376 [0,1,0,0,0,0|2,0,0]=3 367 B12R1.71 CCc1ccc(cc1)NCCI 3fe2560c39fed59a074fbd198ccd561e [0,1,0,0,0,0|2,0,0]=3 368 B12R1.71 CCc1ccc(cc1)NCCO 59bb3be9e4823d1abaf1b030f05f44ce [0,1,0,0,0,0|2,0,0]=3 369 B12R1.71 CCc1ccc(cc1)NCCS b60d8f6f2f663a12d96ae8122add0901 [0,1,0,0,0,0|2,0,0]=3 370 B12R1.71 CCc1ccc(cc1)NCOC 058ee6c7ecc6d51d387abed1e4de0f1d [0,1,0,0,0,0|2,0,0]=3 371 B12R1.71 CCc1ccc(cc1)NCSC 959018a16e5d1e7d1e8c5671bac2a437 [0,1,0,0,0,0|2,0,0]=3 372 B12R1.71 CCc1ccc(cc1)OCC#N d2e4d5c4ad024b7763635c1cf7599efa [0,1,0,0,0,0|2,0,1]=4 373 B12R1.71 CCc1ccc(cc1)OCC=O be36dab03e57e44fb88db9aad450d084 [0,1,0,0,0,0|2,0,1]=4 374 B12R1.71 CCc1ccc(cc1)OCCF 44bec342bc60a7bc9354f50855d4a229 [0,1,0,0,0,0|2,0,0]=3 375 B12R1.71 CCc1ccc(cc1)OCCS e9c088276447c7262f9a23be1cd2c9c9 [0,1,0,0,0,0|2,0,0]=3 376 B12R1.71 CCc1ccc(cc1)OCSC 862e8a105f4320dbd38b1167597d6d09 [0,1,0,0,0,0|2,0,0]=3 377 B12R1.71 CCc1ccc(cn1)NCCBr 4fd362c6c05d718bcdea95df4b58f824 [0,1,0,0,0,0|3,0,0]=4 378 B12R1.71 CCc1ccc(cn1)NCCF b851fc2e049b01d6f169883695c15877 [0,1,0,0,0,0|3,0,0]=4 379 B12R1.71 CCc1ccc(cn1)NCCI a2597222dbd6e0c2c2516f3277ffd2c7 [0,1,0,0,0,0|3,0,0]=4 380 B12R1.71 CCc1ccc(cn1)NCCO 06afcce901461794a5d3553a78f89729 [0,1,0,0,0,0|3,0,0]=4 381 B12R1.71 CCc1ccc(cn1)NCCS 810097e2c5428e1c5ef723d1fd48e369 [0,1,0,0,0,0|3,0,0]=4 382 B12R1.71 CCc1ccc(cn1)NCOC e2e9f3d6f8ba788f31da381a2525d12f [0,1,0,0,0,0|3,0,0]=4 383 B12R1.71 CCc1ccc(cn1)NCSC 9953627ad78e186fba6b54a6d075bcdd [0,1,0,0,0,0|3,0,0]=4 384 B12R1.71 CCc1ccc(nc1)COCF 4d8070badb13bb277ae6f0d7c1e7f1cb [0,1,0,0,0,0|3,0,0]=4 385 B12R1.71 CCc1ccc(nc1)NCCBr 4b21e74a3cdeaa163e2425c6e8416124 [0,1,0,0,0,0|3,0,0]=4 386 B12R1.71 CCc1ccc(nc1)NCCF 5046dd362cfbd912f090e64aebb8dd32 [0,1,0,0,0,0|3,0,0]=4 387 B12R1.71 CCc1ccc(nc1)NCCI 7ee2767e9bfc55109b37d2aef5a9ed71 [0,1,0,0,0,0|3,0,0]=4 388 B12R1.71 CCc1ccc(nc1)NCCO e5056082c2824dad453c566b24d9e962 [0,1,0,0,0,0|3,0,0]=4 389 B12R1.71 CCc1ccc(nc1)NCCS 60f7245761a9a64ba2706245772a9dfd [0,1,0,0,0,0|3,0,0]=4 390 B12R1.71 CCc1ccc(nc1)NCOC a4714d7b7487ea0fe5045f0b10f3912f [0,1,0,0,0,0|3,0,0]=4 391 B12R1.71 CCc1ccc(nc1)NCSC bbd9d182b6c71e19f822630c8d5053a2 [0,1,0,0,0,0|3,0,0]=4 392 B12R1.71 CCc1ccc(nc1)OCCF 77b33b8801fa17cf949d1da0113838aa [0,1,0,0,0,0|3,0,0]=4 393 B12R1.71 CCc1ccc(nc1)OCCS 7bbcefebb057c680c11fd1b5be58c161 [0,1,0,0,0,0|3,0,0]=4 394 B12R1.71 CCc1ccc(nc1)OCOC ca1356ea7703634def2c0ee6c89112aa [0,1,0,0,0,0|3,0,0]=4 395 B12R1.71 CCc1ccc(nc1)OCSC c3053c2a0fbc0868f4b0ce96a5d0d486 [0,1,0,0,0,0|3,0,0]=4 396 B12R1.71 COCNc1ccc(cc1)C#N 65cf5d2ce99f60392e8ee371934a1d55 [0,1,0,0,0,0|3,0,0]=4 397 B12R1.71 COCNc1ccc(cc1)C=O f7ab2f429f29a899fd97c425aa102629 [0,1,0,0,0,0|3,0,0]=4 398 B12R1.71 COCNc1ccc(cc1)CO 1f77983716297ec2a82dbea03424b9c6 [0,1,0,0,0,0|3,0,0]=4 399 B12R1.71 COCNc1ccc(cc1)OC f08bb6381e49f57d218c6141b71431a4 [0,1,0,0,0,0|1,0,0]=2 400 B12R1.71 COCNc1ccc(cc1)SC ae4247a861e0d9221250c21ef2ea1170 [0,1,0,0,0,0|1,1,0]=3 401 B12R1.71 COCNc1ccc(cn1)OC 6c7ee979a662b0a3fb5102b512653225 [0,1,0,0,0,0|2,0,0]=3 402 B12R1.71 COCNc1ccc(cn1)SC 4be7e232245a4a5c8532a3a106dedcd2 [0,1,0,0,0,0|2,1,0]=4 403 B12R1.71 COCNc1ccc(nc1)OC 3565c5e98d086131e44b3abd33644232 [0,1,0,0,0,0|2,0,0]=3 404 B12R1.71 COCNc1ccc(nc1)SC 56365ee05e6555e82365b25ae70cb253 [0,1,0,0,0,0|2,1,0]=4 405 B12R1.71 COCNc1ccc(nn1)OC 3c3a90e1be4b34726141757e0cf1e15c [0,1,0,0,0,0|3,0,0]=4 406 B12R1.71 COCNc1cnc(cn1)OC 1c57dd0350465e9f0efa831e7c6bd548 [0,1,0,0,0,0|3,0,0]=4 407 B12R1.71 COCNc1cnc(nc1)OC d5ab05566191ec1274468baded8b36b0 [0,1,0,0,0,0|3,0,0]=4 408 B12R1.71 COCNc1ncc(cn1)OC ac91f0c9266a86eb8867b2778e4eb1be [0,1,0,0,0,0|3,0,0]=4 409 B12R1.71 COCOc1ccc(cc1)C#N 753b0a267902f42d2517abe4e40b8f43 [0,1,0,0,0,0|3,0,0]=4 410 B12R1.71 COCOc1ccc(cc1)C=O c6331fde3edc7b39ecba2c825a6ab487 [0,1,0,0,0,0|3,0,0]=4 411 B12R1.71 COCOc1ccc(cc1)N=O 6efbc9c18cc7576f4ef181c98474af2a [0,1,0,0,0,0|3,0,0]=4 412 B12R1.71 COCOc1ccc(cc1)OC 2dd59a1a703d28b02af40dd932f195cf [0,1,0,0,0,0|1,0,0]=2 413 B12R1.71 COCOc1ccc(cc1)SC dd10472e8dd3da73df07a634244d412a [0,1,0,0,0,0|1,1,0]=3 414 B12R1.71 COCOc1ccc(cn1)OC a9f59c1f05a8d56817e6089403218a57 [0,1,0,0,0,0|2,0,0]=3 415 B12R1.71 COCOc1ccc(nc1)OC 27d7a5a672ac2572da8133139cdbd266 [0,1,0,0,0,0|2,0,0]=3 416 B12R1.71 COCOc1ccc(nc1)SC 4ef9a56ba011d5bcb94fd8a917208af6 [0,1,0,0,0,0|2,1,0]=4 417 B12R1.71 COCOc1cnc(nc1)OC 4692692ff827e2e3c40500e799af0feb [0,1,0,0,0,0|3,0,0]=4 418 B12R1.71 COc1ccc(cc1)CNC#N 8cf1817561081f77e6367615f7f3461b [0,1,0,0,0,0|1,0,1]=3 419 B12R1.71 COc1ccc(cc1)CNC=O db976ecf05e2f4cb858b2b428e1f3adf [0,1,0,0,0,0|1,0,1]=3 420 B12R1.71 COc1ccc(cc1)CNCF 32afdbf27d7dd3bfaba3889838097e52 [0,1,0,0,0,0|1,0,0]=2 421 B12R1.71 COc1ccc(cc1)CNCO 020083af321719f38499e8685d6c62a9 [0,1,0,0,0,0|1,0,0]=2 422 B12R1.71 COc1ccc(cc1)COCF 9616b61606be277168d66d79c532c507 [0,1,0,0,0,0|1,0,0]=2 423 B12R1.71 COc1ccc(cc1)NCC#N ac5b53cf7031ec8c653c9ec80530c277 [0,1,0,0,0,0|1,0,1]=3 424 B12R1.71 COc1ccc(cc1)NCC=O ad17f3b8982a8cd87c44d7b094938940 [0,1,0,0,0,0|1,0,1]=3 425 B12R1.71 COc1ccc(cc1)NCCF 8fee6635ccf1dd054d69e37a582bba86 [0,1,0,0,0,0|1,0,0]=2 426 B12R1.71 COc1ccc(cc1)NCCO b2b0da7e24a1ad0b5cbc5b972ddd499d [0,1,0,0,0,0|1,0,0]=2 427 B12R1.71 COc1ccc(cc1)NCCS 872cf7e11a4e185989cb4e3369d7cc0e [0,1,0,0,0,0|1,0,0]=2 428 B12R1.71 COc1ccc(cc1)NCSC b208afa1c3c9a9c83b84843e5243cb08 [0,1,0,0,0,0|1,0,0]=2 429 B12R1.71 COc1ccc(cc1)OCC#N e1f68096f3bf51f291ce525cf31bc20f [0,1,0,0,0,0|1,0,1]=3 430 B12R1.71 COc1ccc(cc1)OCC=O cf14009318b291383eaa11e0c7202ebb [0,1,0,0,0,0|1,0,1]=3 431 B12R1.71 COc1ccc(cc1)OCCF 0a2978e5f767018b19b099c16da15a7d [0,1,0,0,0,0|1,0,0]=2 432 B12R1.71 COc1ccc(cc1)OCCS c30044f3949cc33089abd838394b764c [0,1,0,0,0,0|1,0,0]=2 433 B12R1.71 COc1ccc(cc1)OCSC 60de989f1c896fefabcc4586edfbc7be [0,1,0,0,0,0|1,0,0]=2 434 B12R1.71 COc1ccc(cn1)CNC#N e14627446b23e4fedd961bdcc6b46758 [0,1,0,0,0,0|2,0,1]=4 435 B12R1.71 COc1ccc(cn1)CNC=O da2fc565377c759843fc1dbfbbf54d93 [0,1,0,0,0,0|2,0,1]=4 436 B12R1.71 COc1ccc(cn1)CNCF f8a53662f666268cd0ddfd66f31e83e2 [0,1,0,0,0,0|2,0,0]=3 437 B12R1.71 COc1ccc(cn1)CNCO 0e439e3d6df65720ab3bdb5a404a423f [0,1,0,0,0,0|2,0,0]=3 438 B12R1.71 COc1ccc(cn1)COCF 4b2064e0041935e8773902bb24d13e82 [0,1,0,0,0,0|2,0,0]=3 439 B12R1.71 COc1ccc(cn1)NCC#N 6c91f50e47ea7f9ec0f4c5eeb5b5a90f [0,1,0,0,0,0|2,0,1]=4 440 B12R1.71 COc1ccc(cn1)NCC=O 7723b8e0f33a13ad5ba7042bbe31a032 [0,1,0,0,0,0|2,0,1]=4 441 B12R1.71 COc1ccc(cn1)NCCBr 4739827d094e085eca095e2d5e22dde3 [0,1,0,0,0,0|2,0,0]=3 442 B12R1.71 COc1ccc(cn1)NCCF 261945d4fff647a72a357bfa92789407 [0,1,0,0,0,0|2,0,0]=3 443 B12R1.71 COc1ccc(cn1)NCCI 9b81cd919bca83d26d02a75d49e00e41 [0,1,0,0,0,0|2,0,0]=3 444 B12R1.71 COc1ccc(cn1)NCCO 366eee6ed8dd48c8de2e7e93900399df [0,1,0,0,0,0|2,0,0]=3 445 B12R1.71 COc1ccc(cn1)NCCS d481058279598ebaeced01cc63058fda [0,1,0,0,0,0|2,0,0]=3 446 B12R1.71 COc1ccc(cn1)NCSC f042d452b06b93a4205b1a263f1978c6 [0,1,0,0,0,0|2,0,0]=3 447 B12R1.71 COc1ccc(cn1)OCC#N 14b8b32b4bc357df07129b59e120f2dd [0,1,0,0,0,0|2,0,1]=4 448 B12R1.71 COc1ccc(cn1)OCC=O bf066cdb3809b166e74febe7fadf750d [0,1,0,0,0,0|2,0,1]=4 449 B12R1.71 COc1ccc(cn1)OCCF bf74b9ccfec755e80c17faa22172ace4 [0,1,0,0,0,0|2,0,0]=3 450 B12R1.71 COc1ccc(cn1)OCCS 73f4c37e51fc4bfb205eb58ed7e3e6f6 [0,1,0,0,0,0|2,0,0]=3 451 B12R1.71 COc1ccc(cn1)OCSC 28ea33a77ade6429bd1a403cbe419e10 [0,1,0,0,0,0|2,0,0]=3 452 B12R1.71 COc1ccc(nc1)CNC#N 6e3d96346563c0d966889ba6df6dd5a8 [0,1,0,0,0,0|2,0,1]=4 453 B12R1.71 COc1ccc(nc1)CNC=O 12ee1caca4b388f51f7c1986ce80501e [0,1,0,0,0,0|2,0,1]=4 454 B12R1.71 COc1ccc(nc1)CNCF 6419c107bd56cd7788683b1b14c7598e [0,1,0,0,0,0|2,0,0]=3 455 B12R1.71 COc1ccc(nc1)CNCO 93a2b0ffbacc7892fdb7d791e2b27864 [0,1,0,0,0,0|2,0,0]=3 456 B12R1.71 COc1ccc(nc1)COCF 1c483b85e32798efb9abd441835f58a9 [0,1,0,0,0,0|2,0,0]=3 457 B12R1.71 COc1ccc(nc1)NCC#N 415b02b19417a3a73b7cf2f15b7ab9ec [0,1,0,0,0,0|2,0,1]=4 458 B12R1.71 COc1ccc(nc1)NCC=O 266bb12205c6b4924b0a4d908331d6b8 [0,1,0,0,0,0|2,0,1]=4 459 B12R1.71 COc1ccc(nc1)NCCBr 6c771eb61390a78eb5df3a290a0adc5a [0,1,0,0,0,0|2,0,0]=3 460 B12R1.71 COc1ccc(nc1)NCCF 75a6fcb0aa67a93b4c0777b8eed2bb1e [0,1,0,0,0,0|2,0,0]=3 461 B12R1.71 COc1ccc(nc1)NCCI 47d8bd4b9eceb7b1497e1408766a82e3 [0,1,0,0,0,0|2,0,0]=3 462 B12R1.71 COc1ccc(nc1)NCCO 6b19132e7f011ffae901f3713120c8ac [0,1,0,0,0,0|2,0,0]=3 463 B12R1.71 COc1ccc(nc1)NCCS caa56864ae5f9de9de52bee43e131e7a [0,1,0,0,0,0|2,0,0]=3 464 B12R1.71 COc1ccc(nc1)NCSC 87c699be7e38903a939317febbe3333a [0,1,0,0,0,0|2,0,0]=3 465 B12R1.71 COc1ccc(nc1)OCC#N a9d2f3723cc7faca078539941ef9f5a3 [0,1,0,0,0,0|2,0,1]=4 466 B12R1.71 COc1ccc(nc1)OCC=O 142a7118a29dfca960578843b3b00e1c [0,1,0,0,0,0|2,0,1]=4 467 B12R1.71 COc1ccc(nc1)OCCF 878987feaa971179e8132ca65955b7ca [0,1,0,0,0,0|2,0,0]=3 468 B12R1.71 COc1ccc(nc1)OCCS f0774acd1323cc50a564a3c569af3111 [0,1,0,0,0,0|2,0,0]=3 469 B12R1.71 COc1ccc(nc1)OCSC df81e1b0c097b731fb4af16eb333c330 [0,1,0,0,0,0|2,0,0]=3 470 B12R1.71 COc1ccc(nn1)CNCF 78d4af60c8f7ae229463da03623372ff [0,1,0,0,0,0|3,0,0]=4 471 B12R1.71 COc1ccc(nn1)CNCO fd0e81311bde4dc5a6a296524368129e [0,1,0,0,0,0|3,0,0]=4 472 B12R1.71 COc1ccc(nn1)COCF 3084c03421edc29dae446b82fbae1adb [0,1,0,0,0,0|3,0,0]=4 473 B12R1.71 COc1ccc(nn1)NCCF 4fa8f60a68da57c4dcd06fbdaa22b683 [0,1,0,0,0,0|3,0,0]=4 474 B12R1.71 COc1ccc(nn1)NCCO ba6c80985e95e7741f3d8bd4ea68abb4 [0,1,0,0,0,0|3,0,0]=4 475 B12R1.71 COc1ccc(nn1)NCCS 963b40da9a50fa85a05696da909697a3 [0,1,0,0,0,0|3,0,0]=4 476 B12R1.71 COc1ccc(nn1)NCSC 8b3e0177d2de26870f64f4458b8a4b0c [0,1,0,0,0,0|3,0,0]=4 477 B12R1.71 COc1cnc(cn1)COCF 5732280e25372d55c3f59b4110fb9a74 [0,1,0,0,0,0|3,0,0]=4 478 B12R1.71 COc1cnc(cn1)NCCF e567cdb9ff21953a4e3487adda4a506a [0,1,0,0,0,0|3,0,0]=4 479 B12R1.71 COc1cnc(cn1)NCCO 5ce55598c998d2194537cca57269a58b [0,1,0,0,0,0|3,0,0]=4 480 B12R1.71 COc1cnc(cn1)NCCS 9a85cafdcfe3299bc6214debfc09c10a [0,1,0,0,0,0|3,0,0]=4 481 B12R1.71 COc1cnc(cn1)NCSC 71bcdf6407630af8951ebd03af408e9c [0,1,0,0,0,0|3,0,0]=4 482 B12R1.71 COc1cnc(nc1)COCF ff14d5e93281f7a83dbd42f1a031bccd [0,1,0,0,0,0|3,0,0]=4 483 B12R1.71 COc1cnc(nc1)NCCF c41549dc59c8b6f2f479112a8ae32cb4 [0,1,0,0,0,0|3,0,0]=4 484 B12R1.71 COc1cnc(nc1)NCCO bafaf69099cb491116aa3ca3ebaa2717 [0,1,0,0,0,0|3,0,0]=4 485 B12R1.71 COc1cnc(nc1)NCCS 7ca3e365e831bdf17b1e3a8db706eff5 [0,1,0,0,0,0|3,0,0]=4 486 B12R1.71 COc1cnc(nc1)NCSC f32e9b096b97ea859050e8296f9e9343 [0,1,0,0,0,0|3,0,0]=4 487 B12R1.71 COc1ncc(cn1)CNCF 643e1a62a95c3c4c82958e3f1b670548 [0,1,0,0,0,0|3,0,0]=4 488 B12R1.71 COc1ncc(cn1)CNCO b992ecdd491c97ea874a6e1a976a0b6d [0,1,0,0,0,0|3,0,0]=4 489 B12R1.71 COc1ncc(cn1)COCF 7d7f27451ea2419180c8d41c3ff74c22 [0,1,0,0,0,0|3,0,0]=4 490 B12R1.71 COc1ncc(cn1)NCCF 99b506c8c4078f6083f2e5c6de513649 [0,1,0,0,0,0|3,0,0]=4 491 B12R1.71 COc1ncc(cn1)NCCO b60aaabc838cb6212be821c200c4c94e [0,1,0,0,0,0|3,0,0]=4 492 B12R1.71 COc1ncc(cn1)NCCS bcf6ad7accc2fbea3960b15d0f7b0122 [0,1,0,0,0,0|3,0,0]=4 493 B12R1.71 COc1ncc(cn1)NCSC 179ea3c2d92135ca44987fdd08a94951 [0,1,0,0,0,0|3,0,0]=4 494 B12R1.71 COc1ncc(cn1)OCCF 8584c19253472925e07de76ab95d9b0c [0,1,0,0,0,0|3,0,0]=4 495 B12R1.71 COc1ncc(cn1)OCCS 172e420081274f6b96843e5ead92fde4 [0,1,0,0,0,0|3,0,0]=4 496 B12R1.71 COc1ncc(cn1)OCSC d0b998c76d4d49f53f347415eafb742f [0,1,0,0,0,0|3,0,0]=4 497 B12R1.71 CSCNc1ccc(cc1)C#N 825281cf57456f832c535ba86141c604 [0,1,0,0,0,0|3,0,0]=4 498 B12R1.71 CSCNc1ccc(cc1)C=O 1daa2cba3e106138a755dfb5a7bd2022 [0,1,0,0,0,0|3,0,0]=4 499 B12R1.71 CSCNc1ccc(cc1)CO 7903cc30cfbce6acd80446c98bf25bf5 [0,1,0,0,0,0|3,0,0]=4 500 B12R1.71 CSCNc1ccc(cc1)SC 7f3e9c64e5b0cb0a769b4cbf02d56244 [0,1,0,0,0,0|1,1,0]=3 501 B12R1.71 CSCNc1ccc(nc1)SC c96af05fed16359ec6d3d15752fd31a8 [0,1,0,0,0,0|2,1,0]=4 502 B12R1.71 CSCOc1ccc(cc1)C#N 88704291ff3e9ccc65270b2d61a35752 [0,1,0,0,0,0|3,0,0]=4 503 B12R1.71 CSCOc1ccc(cc1)C=O dd0170a06c13ae6b1c7e812c8823f315 [0,1,0,0,0,0|3,0,0]=4 504 B12R1.71 CSCOc1ccc(cc1)N=O 2aa07bd1c35cdc285133b1c459404b8b [0,1,0,0,0,0|3,0,0]=4 505 B12R1.71 CSCOc1ccc(cc1)SC ff7b85f950f9c942c1ec9071a16fe926 [0,1,0,0,0,0|1,1,0]=3 506 B12R1.71 CSCOc1ccc(nc1)SC f81fe2b450d0120ad1da939dfd59a9b9 [0,1,0,0,0,0|2,1,0]=4 507 B12R1.71 CSc1ccc(cc1)CNC#N 143a4cc7b39cda6ec5c036ab9c8c6fd9 [0,1,0,0,0,0|1,1,1]=4 508 B12R1.71 CSc1ccc(cc1)CNC=O 971ff291f1a7db789d5efcc51aaa0672 [0,1,0,0,0,0|1,1,1]=4 509 B12R1.71 CSc1ccc(cc1)CNCF b9c9030359fa2f8c1fde2587c7cc2219 [0,1,0,0,0,0|1,1,0]=3 510 B12R1.71 CSc1ccc(cc1)CNCO 21c910e00e59dfce91d7cb8102e1f3e3 [0,1,0,0,0,0|1,1,0]=3 511 B12R1.71 CSc1ccc(cc1)COCF b51b996d52859efd05a68377ee66dfc3 [0,1,0,0,0,0|1,1,0]=3 512 B12R1.71 CSc1ccc(cc1)NCC#N 506d2af2e7e6c9321ae6977b039dc89b [0,1,0,0,0,0|1,1,1]=4 513 B12R1.71 CSc1ccc(cc1)NCC=O 0ae1d19fa75fe5021b031daea1ecf5e7 [0,1,0,0,0,0|1,1,1]=4 514 B12R1.71 CSc1ccc(cc1)NCCF 9464510ed505128eb206302d2b26e956 [0,1,0,0,0,0|1,1,0]=3 515 B12R1.71 CSc1ccc(cc1)NCCO 478295d89feae03334547871f0d6050c [0,1,0,0,0,0|1,1,0]=3 516 B12R1.71 CSc1ccc(cc1)NCCS 683171aa02bb4a901643cd8dc7a2cb9f [0,1,0,0,0,0|1,1,0]=3 517 B12R1.71 CSc1ccc(cc1)OCC#N f24279fee0b9aa25d38d7f986d5663ec [0,1,0,0,0,0|1,1,1]=4 518 B12R1.71 CSc1ccc(cc1)OCC=O 83a8aaa8ffe5e17ddfed14bcb3d02663 [0,1,0,0,0,0|1,1,1]=4 519 B12R1.71 CSc1ccc(cc1)OCCF 42d04b528d48174fa03ed012f3d659a7 [0,1,0,0,0,0|1,1,0]=3 520 B12R1.71 CSc1ccc(cc1)OCCS b094c235c79999c9e17b0cf74c010571 [0,1,0,0,0,0|1,1,0]=3 521 B12R1.71 CSc1ccc(cn1)COCF cc46de105db70b0901ada28f10f0778f [0,1,0,0,0,0|2,1,0]=4 522 B12R1.71 CSc1ccc(cn1)NCCBr a6e2db14cfa17af92ba4175f6c778e60 [0,1,0,0,0,0|2,1,0]=4 523 B12R1.71 CSc1ccc(cn1)NCCF e3604e6e3d9fb4c977bdbbb8a0999dff [0,1,0,0,0,0|2,1,0]=4 524 B12R1.71 CSc1ccc(cn1)NCCI 524f0bfac00ea4e17775ccfedcf276ad [0,1,0,0,0,0|2,1,0]=4 525 B12R1.71 CSc1ccc(cn1)NCCO bae90f07cdc614118a03c24aabba226d [0,1,0,0,0,0|2,1,0]=4 526 B12R1.71 CSc1ccc(cn1)NCCS b3692bf100ee56023a25950038b41126 [0,1,0,0,0,0|2,1,0]=4 527 B12R1.71 CSc1ccc(cn1)OCCF a6286042c9375e43e4486f41d49694f4 [0,1,0,0,0,0|2,1,0]=4 528 B12R1.71 CSc1ccc(cn1)OCCS ae53f669818f797c007d629dcd72619f [0,1,0,0,0,0|2,1,0]=4 529 B12R1.71 CSc1ccc(nc1)NCCF 8685d8e3a82eb77a73b975e16cb9a7ca [0,1,0,0,0,0|2,1,0]=4 530 B12R1.71 CSc1ccc(nc1)NCCO 30d288df20ac80d95316af1bf52896a9 [0,1,0,0,0,0|2,1,0]=4 531 B12R1.71 CSc1ccc(nc1)NCCS 79c5237b13c92951a4a72862eb6eb493 [0,1,0,0,0,0|2,1,0]=4 532 B12R1.71 FCNCc1ccc(cc1)CBr af6bf5b2baed295b176ec1e4c522893c [0,1,0,0,0,0|3,0,0]=4 533 B12R1.71 FCc1ccc(cc1)NCCS 65f87ad2cad6caac71fca2cab443b29c [0,1,0,0,0,0|3,0,0]=4 534 B12R1.71 N#Cc1ccc(cc1)CNCF 643bdb4fc730a0a55ea9b032ee167f60 [0,1,0,0,0,0|3,0,0]=4 535 B12R1.71 N#Cc1ccc(cc1)CNCO f733af124537525092c09e9c21692920 [0,1,0,0,0,0|3,0,0]=4 536 B12R1.71 N#Cc1ccc(cc1)COCF 67559847288e49c2b05838ed9193791b [0,1,0,0,0,0|3,0,0]=4 537 B12R1.71 N#Cc1ccc(cc1)NCCF caf5fd0ea9cb94c7c25b67d46d1a40c6 [0,1,0,0,0,0|3,0,0]=4 538 B12R1.71 N#Cc1ccc(cc1)NCCO 7880b39acbf6bfe6fb61c5ce82df1a73 [0,1,0,0,0,0|3,0,0]=4 539 B12R1.71 N#Cc1ccc(cc1)NCCS a2d06994e1a13704715f82c2ef074731 [0,1,0,0,0,0|3,0,0]=4 540 B12R1.71 N#Cc1ccc(cc1)OCCF 18c382f3ee4a808c31820235b31e2b40 [0,1,0,0,0,0|3,0,0]=4 541 B12R1.71 N#Cc1ccc(cc1)OCCS 864645f4d4cfc4f4d0ae7d84d2f2b8ef [0,1,0,0,0,0|3,0,0]=4 542 B12R1.71 O=Cc1ccc(cc1)COCF 2fed82879f2effc5bed1bb1ecaec03ef [0,1,0,0,0,0|3,0,0]=4 543 B12R1.71 O=Cc1ccc(cc1)NCCF 022e072816ba23b7b7dafb833917e94f [0,1,0,0,0,0|3,0,0]=4 544 B12R1.71 O=Cc1ccc(cc1)NCCO 5a79e9d64e8d05bc2ceaff4bad6f99dc [0,1,0,0,0,0|3,0,0]=4 545 B12R1.71 O=Cc1ccc(cc1)NCCS 32d31e8953c0737facb3e2f1515c2587 [0,1,0,0,0,0|3,0,0]=4 546 B12R1.71 O=Cc1ccc(cc1)OCCF d88859339eeb41baa516f278ae1ceb0e [0,1,0,0,0,0|3,0,0]=4 547 B12R1.71 O=Cc1ccc(cc1)OCCS 36b8ef3998b367449430d6d253a8559f [0,1,0,0,0,0|3,0,0]=4 548 B12R1.71 O=Nc1ccc(cc1)OCCF 55786ce9cdd9bfffb651f48a4eb5deb2 [0,1,0,0,0,0|3,0,0]=4 549 B12R1.71 O=Nc1ccc(cc1)OCCS f3c4096b9020ad0b1d93d5d584318a79 [0,1,0,0,0,0|3,0,0]=4 550 B12R1.71 OCCNc1ccc(cc1)CO c903351b0ccbc905223fc1306554066f [0,1,0,0,0,0|3,0,0]=4 551 B12R1.71 OCCNc1ccc(cc1)NO aedc91f1a71b256bdd0f2c8e7b163ac1 [0,1,0,0,0,0|3,0,0]=4 552 B12R1.71 OCNCc1ccc(cc1)CBr 775c3a84add9f73bdaed8c36ad56a2fa [0,1,0,0,0,0|3,0,0]=4 553 B12R1.71 OCNCc1ccc(cc1)CO ab7772b5724a111aac3e4bb689bb54af [0,1,0,0,0,0|3,0,0]=4 554 B12R1.71 OCc1ccc(cc1)CNCF 81ee8cabddc5d665b6e28d581fb31939 [0,1,0,0,0,0|3,0,0]=4 555 B12R1.71 OCc1ccc(cc1)NCCF 46433f593b274de4c65fdc6b5c59cbe7 [0,1,0,0,0,0|3,0,0]=4 556 B12R1.71 OCc1ccc(cc1)NCCS 7069bfbd0cba19875e4f5dce90cf80dc [0,1,0,0,0,0|3,0,0]=4 557 B12R1.71 ONc1ccc(cc1)NCCS 2234315261dfd8daf379292d763af9aa [0,1,0,0,0,0|3,0,0]=4 558 B12R1.71 SCCNc1ccc(cc1)CS 5fe0859c81872094cc44e50748fd441a [0,1,0,0,0,0|3,0,0]=4 559 B12R1.113 C=C(C)c1ccc(cc1)OCC a6ebbcbc37413f76bd61a84706e50fd5 [0,1,0,0,0,0|2,0,0]=3 560 B12R1.113 C=C(C)c1ccc(cc1)OCF 5d79e6af54c0828cb015ec2974105faf [0,1,0,0,0,0|3,0,0]=4 561 B12R1.113 CC(=O)c1ccc(cc1)NCF 528352a20d2a0e2eaf13de59c8af614b [0,1,0,0,0,0|3,0,0]=4 562 B12R1.113 CC(=O)c1ccc(cc1)NCO 79893f7d740729c5df6cbfcf46087f30 [0,1,0,0,0,0|3,0,0]=4 563 B12R1.113 CC(=O)c1ccc(cc1)OCF d7e7777cc492b267f3b4c4ba1d3a86e1 [0,1,0,0,0,0|3,0,0]=4 564 B12R1.113 CC(C)c1ccc(cc1)NCF 3e7976bca83705cc206f471127e30038 [0,1,0,0,0,0|3,0,0]=4 565 B12R1.113 CC(C)c1ccc(cc1)NCO eb33daf19145d872e5119e255ddbe9f3 [0,1,0,0,0,0|3,0,0]=4 566 B12R1.113 CC(C)c1ccc(cc1)OCF a7ca380fb5af25e1b29af10fac04b737 [0,1,0,0,0,0|3,0,0]=4 567 B12R1.113 CC(O)c1ccc(cc1)NCF 415eb4e86e110a1f3cf661d70c95cd44 [0,1,0,0,0,0|3,0,0]=4 568 B12R1.113 CC(O)c1ccc(cc1)NCO 74c9a6dba78830dd2b3ade1c19be4252 [0,1,0,0,0,0|3,0,0]=4 569 B12R1.113 CCNc1ccc(cc1)C(=O)C b35ee60e60698cad9dc48bce09e98790 [0,1,0,0,0,0|2,0,0]=3 570 B12R1.113 CCNc1ccc(cc1)C(=O)N 3d6b7784a7aa2c63429d396fa5488655 [0,1,0,0,0,0|3,0,0]=4 571 B12R1.113 CCNc1ccc(cc1)C(=O)O 8f6eeda21fbec87b20435375378dc36a [0,1,0,0,0,0|3,0,0]=4 572 B12R1.113 CCNc1ccc(cc1)C(=S)N 6717bf95bcea50ba1a8070a2fa29a0ab [0,1,0,0,0,0|3,0,0]=4 573 B12R1.113 CCNc1ccc(cc1)C(C)C 51a8c28fb0c90cbb58429f7341333aa1 [0,1,0,0,0,0|2,0,0]=3 574 B12R1.113 CCNc1ccc(cc1)C(C)O 06a84e7b07090916a8cf8a0827876e87 [0,1,0,0,0,0|2,0,0]=3 575 B12R1.113 CCNc1ccc(cc1)N(C)C 60030f7164ecf2eb4bb7228d01f9e891 [0,1,0,0,0,0|2,0,0]=3 576 B12R1.113 CCNc1ccc(cc1)S(=O)C 6eee7090214169bd16bf843c95e9dce4 [0,1,0,0,0,0|1,1,0]=3 577 B12R1.113 CCNc1ccc(cc1)[N+](=O)[O-] 61505ae0e73ca4e59cf97f62bf4de856 [0,1,0,0,0,0|3,0,0]=4 578 B12R1.113 CCNc1ccc(cn1)C(=O)C 433d281b0eb2a601577fb4e71c3fd4f3 [0,1,0,0,0,0|3,0,0]=4 579 B12R1.113 CCNc1ccc(cn1)C(C)C d2e6a0d6cc09ca6d417114638c237756 [0,1,0,0,0,0|3,0,0]=4 580 B12R1.113 CCNc1ccc(cn1)N(C)C fd88253070abcb738ecb19b0df9f15fb [0,1,0,0,0,0|3,0,0]=4 581 B12R1.113 CCNc1ccc(nc1)C(=O)C 56f227a563d31391d34b525ced93dda7 [0,1,0,0,0,0|3,0,0]=4 582 B12R1.113 CCNc1ccc(nc1)C(C)C 68c608f42bd77503e95b3558570f4440 [0,1,0,0,0,0|3,0,0]=4 583 B12R1.113 CCNc1ccc(nc1)N(C)C 621d14da29e7cd7304ac0dd85a1bd667 [0,1,0,0,0,0|3,0,0]=4 584 B12R1.113 CCOc1ccc(cc1)C(=O)C b53977f501c168ba6c0028f830f86ab9 [0,1,0,0,0,0|2,0,0]=3 585 B12R1.113 CCOc1ccc(cc1)C(=O)N ff108d22f580824481f8b7bfd9371d44 [0,1,0,0,0,0|3,0,0]=4 586 B12R1.113 CCOc1ccc(cc1)C(=O)O 9a3b3a0f02305402a081179f0a81bb43 [0,1,0,0,0,0|3,0,0]=4 587 B12R1.113 CCOc1ccc(cc1)C(=S)N a9355fcbb07c93a93f8794bf21f01582 [0,1,0,0,0,0|3,0,0]=4 588 B12R1.113 CCOc1ccc(cc1)C(C)C 1b1f3178a4d7a5d36377a94e34a4b641 [0,1,0,0,0,0|2,0,0]=3 589 B12R1.113 CCOc1ccc(cc1)N(C)C 7c0c8727d2634fbddeec9ff1c3c4e652 [0,1,0,0,0,0|2,0,0]=3 590 B12R1.113 CCOc1ccc(cc1)S(=O)C 280f3c9bdcf4027c69b65aecdb2eaa7c [0,1,0,0,0,0|1,1,0]=3 591 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] 3d9e3437e41505ea03b45d4f47519d74 [0,1,0,0,0,0|3,0,0]=4 592 B12R1.113 CCOc1ccc(cn1)C(=O)C 3c3b4e9bbcade07bd163de096b2eae02 [0,1,0,0,0,0|3,0,0]=4 593 B12R1.113 CCOc1ccc(nc1)C(=O)C 8a33ce7365fa277927eb7c3d1605c20d [0,1,0,0,0,0|3,0,0]=4 594 B12R1.113 CCOc1ccc(nc1)C(C)C 4852f36066164051e07a5e5ff729272a [0,1,0,0,0,0|3,0,0]=4 595 B12R1.113 CCOc1ccc(nc1)N(C)C da517aa6170e6f0f7b26e6212826da6a [0,1,0,0,0,0|3,0,0]=4 596 B12R1.113 CN(C)c1ccc(cc1)NCF 437f082f40bedbd6371cca3e1fceffea [0,1,0,0,0,0|3,0,0]=4 597 B12R1.113 CN(C)c1ccc(cc1)NCO 2884d3e81780a7727e8e3321fbd5b486 [0,1,0,0,0,0|3,0,0]=4 598 B12R1.113 CN(C)c1ccc(cc1)OCF e7783933c096400ab0ca8921de39e5cd [0,1,0,0,0,0|3,0,0]=4 599 B12R1.113 CS(=O)c1ccc(cc1)NCF 0296e1a7c488c46974450d16d7aea993 [0,1,0,0,0,0|2,1,0]=4 600 B12R1.113 CS(=O)c1ccc(cc1)NCO 07e7e8fe42e2ccba2e6b7bc2fb1f17c6 [0,1,0,0,0,0|2,1,0]=4 601 B12R1.113 CS(=O)c1ccc(cc1)OCF aada27ae901d85e1741fd77c29ab1de8 [0,1,0,0,0,0|2,1,0]=4 602 B12R1.114 C#Cc1ccc(c(c1)C)NCC af5b9bf166acfebfffa6e97b91ab35f2 [0,1,0,0,0,0|2,0,1]=4 603 B12R1.114 C#Cc1ccc(c(c1)Cl)NCC e72233a73646660c92ecd3dbd2581e34 [0,1,0,0,0,0|2,0,1]=4 604 B12R1.114 C#Cc1ccc(c(c1)F)NCC d7ecd5ee91a3428034c0e4ed69e12821 [0,1,0,0,0,0|2,0,1]=4 605 B12R1.114 C=Cc1ccc(c(c1)I)OCC 7b28a4a5be85bacb2939f94b214e3379 [0,1,0,0,0,0|2,0,1]=4 606 B12R1.114 CCNc1ccc(cc1Br)C#N 2017bf3a7b1a172eda989a128f10761d [0,1,0,0,0,0|3,0,0]=4 607 B12R1.114 CCNc1ccc(cc1Br)C=O a8d19195f9fa918e3a01fe351056bf90 [0,1,0,0,0,0|3,0,0]=4 608 B12R1.114 CCNc1ccc(cc1Br)CC 210e9a8348e9777b3e50c28d2efd101f [0,1,0,0,0,0|2,0,0]=3 609 B12R1.114 CCNc1ccc(cc1Br)CO 8f07aa098d8478c6926758cef710b55b [0,1,0,0,0,0|3,0,0]=4 610 B12R1.114 CCNc1ccc(cc1Br)OC b1e147cacfa4a7f9c53768bb6193a555 [0,1,0,0,0,0|1,0,0]=2 611 B12R1.114 CCNc1ccc(cc1C)C#N f5ad0a30cdf007bce5d22164252fa098 [0,1,0,0,0,0|3,0,0]=4 612 B12R1.114 CCNc1ccc(cc1C)CC 25275062c3fdb810d246cb79e61a857f [0,1,0,0,0,0|2,0,0]=3 613 B12R1.114 CCNc1ccc(cc1C)CO fce9e0dabf540098b6e4e49ca5c4e98c [0,1,0,0,0,0|3,0,0]=4 614 B12R1.114 CCNc1ccc(cc1C)OC acbed43b8715c8ac6d98756bc2119fe3 [0,1,0,0,0,0|1,0,0]=2 615 B12R1.114 CCNc1ccc(cc1C)SC 8bade292de97a4e84c2f52fdf79d0f16 [0,1,0,0,0,0|1,1,0]=3 616 B12R1.114 CCNc1ccc(cc1Cl)C#N be992bdd852504430b7a8408445035b2 [0,1,0,0,0,0|3,0,0]=4 617 B12R1.114 CCNc1ccc(cc1Cl)CC bca96b8444a430bd2125861308fa38b4 [0,1,0,0,0,0|2,0,0]=3 618 B12R1.114 CCNc1ccc(cc1Cl)CO dec9c2839d4a25e5305a2da952106621 [0,1,0,0,0,0|3,0,0]=4 619 B12R1.114 CCNc1ccc(cc1Cl)OC 2517d95b395e626f3bae70fe424ceffc [0,1,0,0,0,0|1,0,0]=2 620 B12R1.114 CCNc1ccc(cc1F)C#N 024eb410e9f5de8583efe1021534d22c [0,1,0,0,0,0|3,0,0]=4 621 B12R1.114 CCNc1ccc(cc1F)CC 475609015ed055350bda606115d52a5d [0,1,0,0,0,0|2,0,0]=3 622 B12R1.114 CCNc1ccc(cc1F)CO 4aeb5f80a92f779ad76d49854cfb0c56 [0,1,0,0,0,0|3,0,0]=4 623 B12R1.114 CCNc1ccc(cc1F)OC eff752696436e3c15cc1f0787fd9adf0 [0,1,0,0,0,0|1,0,0]=2 624 B12R1.114 CCNc1ccc(cc1F)SC 1a916daee805b77017ee1ff28c73edac [0,1,0,0,0,0|1,1,0]=3 625 B12R1.114 CCNc1ccc(cc1I)C#N 85ab5d5d47e68533cb6b7d1ca2953276 [0,1,0,0,0,0|3,0,0]=4 626 B12R1.114 CCNc1ccc(cc1I)CC 29f45169f37689ade8b72536561c76f5 [0,1,0,0,0,0|2,0,0]=3 627 B12R1.114 CCNc1ccc(cc1I)CO 6c034d3a97e1e18902bdc5f292547158 [0,1,0,0,0,0|3,0,0]=4 628 B12R1.114 CCNc1ccc(cc1I)OC ec8d456a49a196c741c38e76b5454eec [0,1,0,0,0,0|1,0,0]=2 629 B12R1.114 CCNc1ccc(cc1S)OC fa0f649ddc93154983b39d71cdb45845 [0,1,0,0,0,0|1,0,0]=2 630 B12R1.114 CCNc1ccc(nc1Br)OC 1a94be01b0b713dbfc03500a9e40a6ab [0,1,0,0,0,0|2,0,0]=3 631 B12R1.114 CCNc1ccc(nc1Cl)OC 42deb34ebe858967dce26640619e482c [0,1,0,0,0,0|2,0,0]=3 632 B12R1.114 CCNc1ccc(nc1F)OC 23eec55df13d58e01aa19908961ed52f [0,1,0,0,0,0|2,0,0]=3 633 B12R1.114 CCNc1cnc(cc1C)OC 38410d13273ce93da3e34b76bc3c7a4d [0,1,0,0,0,0|2,0,0]=3 634 B12R1.114 CCNc1cnc(cc1Cl)OC 242c4c0a40ea923a7970449f13d82375 [0,1,0,0,0,0|2,0,0]=3 635 B12R1.114 CCNc1cnc(nc1C)OC 3aa649eddbdea4f9e1c686f5223c3301 [0,1,0,0,0,0|3,0,0]=4 636 B12R1.114 CCNc1ncc(cc1Br)OC 1af5e4e7dd1d231c0122d263f6fb6567 [0,1,0,0,0,0|2,0,0]=3 637 B12R1.114 CCNc1ncc(cc1C)OC 23714e4efd79eb4a71067733701dc8c6 [0,1,0,0,0,0|2,0,0]=3 638 B12R1.114 CCNc1ncc(cc1F)OC 3393c740d78ffe523080501d4c2e2fea [0,1,0,0,0,0|2,0,0]=3 639 B12R1.114 CCNc1ncc(nc1C)OC a7a19a12973ec4fb5647f1675cfe3eb2 [0,1,0,0,0,0|3,0,0]=4 640 B12R1.114 CCNc1nnc(cc1C)OC af25242054511f449753fe9b6294ef91 [0,1,0,0,0,0|3,0,0]=4 641 B12R1.114 CCOc1ccc(cc1Br)C#N 3796e60fa2875f2d6a27111f8ea9eb47 [0,1,0,0,0,0|3,0,0]=4 642 B12R1.114 CCOc1ccc(cc1Br)C=O e0b533ea3d47f93cb2475b3fad51d52a [0,1,0,0,0,0|3,0,0]=4 643 B12R1.114 CCOc1ccc(cc1Br)CC 4fa31ea33618bcda7207aa3892f572b6 [0,1,0,0,0,0|2,0,0]=3 644 B12R1.114 CCOc1ccc(cc1Br)OC dc86003f9d22430c6adb36465be33115 [0,1,0,0,0,0|1,0,0]=2 645 B12R1.114 CCOc1ccc(cc1Br)SC 41a326e6f0b10e896447fffacd8f2b9c [0,1,0,0,0,0|1,1,0]=3 646 B12R1.114 CCOc1ccc(cc1C)C#N 345c184192a0959bc7000ea9dcb5464f [0,1,0,0,0,0|3,0,0]=4 647 B12R1.114 CCOc1ccc(cc1C)C=O a490f9d45f869d40ff530581209ac98b [0,1,0,0,0,0|3,0,0]=4 648 B12R1.114 CCOc1ccc(cc1C)CC d39dd963eb55b563761f4b1e33db17c6 [0,1,0,0,0,0|2,0,0]=3 649 B12R1.114 CCOc1ccc(cc1C)OC 59795038146e64bc9fe83fb43ffe9bd0 [0,1,0,0,0,0|1,0,0]=2 650 B12R1.114 CCOc1ccc(cc1C)SC 2d7808eafdf2a1715d091c8ccf0f38f6 [0,1,0,0,0,0|1,1,0]=3 651 B12R1.114 CCOc1ccc(cc1Cl)C#N b717a326d770a00c2c606364d65ccb07 [0,1,0,0,0,0|3,0,0]=4 652 B12R1.114 CCOc1ccc(cc1Cl)C=O 36f23ce16047cc5a153aa6d0c701da0c [0,1,0,0,0,0|3,0,0]=4 653 B12R1.114 CCOc1ccc(cc1Cl)CC d781d70714056ba57b7a89fb94038621 [0,1,0,0,0,0|2,0,0]=3 654 B12R1.114 CCOc1ccc(cc1Cl)OC 07ae7103ee76cfd76cd580510d01c1aa [0,1,0,0,0,0|1,0,0]=2 655 B12R1.114 CCOc1ccc(cc1F)C#N 5b50cd2d4c360949ba82442b00db8ae2 [0,1,0,0,0,0|3,0,0]=4 656 B12R1.114 CCOc1ccc(cc1F)C=O 0b8e1b6cef1ad04dbfe8bca13899108b [0,1,0,0,0,0|3,0,0]=4 657 B12R1.114 CCOc1ccc(cc1F)OC f590a84ebc2e54af410e056abdea8ea4 [0,1,0,0,0,0|1,0,0]=2 658 B12R1.114 CCOc1ccc(cc1I)C#N e857f00188bee30fa08321f496a5c162 [0,1,0,0,0,0|3,0,0]=4 659 B12R1.114 CCOc1ccc(cc1I)C=O cb2d87ab1f12c2292b2d499d6acc7d39 [0,1,0,0,0,0|3,0,0]=4 660 B12R1.114 CCOc1ccc(cc1I)OC 6a50611d1d13b3ad8aaf5692c2e7e8a1 [0,1,0,0,0,0|1,0,0]=2 661 B12R1.114 CCOc1ccc(nc1Br)OC f2f138086622af7be6f1260d07c134d0 [0,1,0,0,0,0|2,0,0]=3 662 B12R1.114 CCOc1ccc(nc1C)OC f9c3ff9e0d3e37c1cdd668f4d6e734ab [0,1,0,0,0,0|2,0,0]=3 663 B12R1.114 CCOc1ccc(nc1Cl)OC 9706d8a73193212e4fca9ce9ad2aaa82 [0,1,0,0,0,0|2,0,0]=3 664 B12R1.114 CCOc1cnc(cc1C)OC 60b03c904e39e97a919f1cf4db230c14 [0,1,0,0,0,0|2,0,0]=3 665 B12R1.114 CCOc1cnc(cc1I)OC fcb56fea51aab7ed35ff19647f2c6dc6 [0,1,0,0,0,0|2,0,0]=3 666 B12R1.114 CCOc1cnc(nc1C)OC 09af24269e0b72973030d5053463475a [0,1,0,0,0,0|3,0,0]=4 667 B12R1.114 CCOc1ncc(cc1Cl)OC 5d8fd4b202f61bdd64f8c519eaca1872 [0,1,0,0,0,0|2,0,0]=3 668 B12R1.114 CCc1ccc(c(c1)Br)NCF db1e48ff57d00f34dac4349c53d0e097 [0,1,0,0,0,0|3,0,0]=4 669 B12R1.114 CCc1ccc(c(c1)Br)NCO 4952066665a8bb7960d83f15ca303339 [0,1,0,0,0,0|3,0,0]=4 670 B12R1.114 CCc1ccc(c(c1)Br)OCF e7cc2b358293408f1d89cdea7fe3e891 [0,1,0,0,0,0|3,0,0]=4 671 B12R1.114 CCc1ccc(c(c1)C)NCF 8a8da9d3d4a8814091a854cea24702f3 [0,1,0,0,0,0|3,0,0]=4 672 B12R1.114 CCc1ccc(c(c1)C)NCO 38d0f5aeb71b612a349caea4753250d5 [0,1,0,0,0,0|3,0,0]=4 673 B12R1.114 CCc1ccc(c(c1)C)OCF 00c32d592795b30cb82a919c84d13bf6 [0,1,0,0,0,0|3,0,0]=4 674 B12R1.114 CCc1ccc(c(c1)Cl)NCF 215ae6a095673dcf7845c0a4b0d12536 [0,1,0,0,0,0|3,0,0]=4 675 B12R1.114 CCc1ccc(c(c1)Cl)NCO 53e3b75516045a9a9ea70193470915fd [0,1,0,0,0,0|3,0,0]=4 676 B12R1.114 CCc1ccc(c(c1)Cl)OCF ec48432eabc6a5f372c9e85302e16e42 [0,1,0,0,0,0|3,0,0]=4 677 B12R1.114 CCc1ccc(c(c1)F)NCF e0da04076f7e3f6b91882f6b6c233e86 [0,1,0,0,0,0|3,0,0]=4 678 B12R1.114 CCc1ccc(c(c1)F)NCO 2217130d8e03b7340f846e768d7618ba [0,1,0,0,0,0|3,0,0]=4 679 B12R1.114 CCc1ccc(c(c1)I)NCF c4c418d8abd69bf0553bc1a514d4bc35 [0,1,0,0,0,0|3,0,0]=4 680 B12R1.114 CCc1ccc(c(c1)I)NCO 31ed69439e5c2b4d776a7ae4bba82ce9 [0,1,0,0,0,0|3,0,0]=4 681 B12R1.114 COc1cc(c(cn1)NCF)C 4566285ce9c59c29727cb0c0d97242c1 [0,1,0,0,0,0|3,0,0]=4 682 B12R1.114 COc1cc(c(cn1)NCO)C a11195f2a62d241c78fa894888c8ecec [0,1,0,0,0,0|3,0,0]=4 683 B12R1.114 COc1cc(c(cn1)NCO)Cl 9dd6b8ff24e60d7d4302d15df36d7b7a [0,1,0,0,0,0|3,0,0]=4 684 B12R1.114 COc1cc(c(cn1)OCF)C 6414fd9511c71cc398248bc5e2973976 [0,1,0,0,0,0|3,0,0]=4 685 B12R1.114 COc1cc(c(cn1)OCF)I c54143e31a7bfbca1220e19be09e8bab [0,1,0,0,0,0|3,0,0]=4 686 B12R1.114 COc1ccc(c(c1)Br)NC=O ddfae5424e591c9a4271562dad39b55c [0,1,0,0,0,0|2,0,1]=4 687 B12R1.114 COc1ccc(c(c1)Br)NCF fdccd1497ef2aabc9890d2720369044e [0,1,0,0,0,0|2,0,0]=3 688 B12R1.114 COc1ccc(c(c1)Br)NCO ef70c6e887ba1318f7f4697952c821cb [0,1,0,0,0,0|2,0,0]=3 689 B12R1.114 COc1ccc(c(c1)Br)OCF eeff112fb2ae406f9d7796fc5fffdcae [0,1,0,0,0,0|2,0,0]=3 690 B12R1.114 COc1ccc(c(c1)C)NC=O 98ed649e3c6a6beea83c3f234c39afbc [0,1,0,0,0,0|2,0,1]=4 691 B12R1.114 COc1ccc(c(c1)C)NCF d5325628d6484beb037e292b365d87a9 [0,1,0,0,0,0|2,0,0]=3 692 B12R1.114 COc1ccc(c(c1)C)NCO b91ee632467a69529e270081ce572433 [0,1,0,0,0,0|2,0,0]=3 693 B12R1.114 COc1ccc(c(c1)C)OCF e3e9959552877c2fcfd1ed08e204afd3 [0,1,0,0,0,0|2,0,0]=3 694 B12R1.114 COc1ccc(c(c1)Cl)NC=O 2f163d7a323be911d6187a35c0d31531 [0,1,0,0,0,0|2,0,1]=4 695 B12R1.114 COc1ccc(c(c1)Cl)NCF eb7c4d969c2f9de5e667efba2d77db23 [0,1,0,0,0,0|2,0,0]=3 696 B12R1.114 COc1ccc(c(c1)Cl)NCO e7649e69ec1e43d992cc20e0ed8c6a44 [0,1,0,0,0,0|2,0,0]=3 697 B12R1.114 COc1ccc(c(c1)Cl)OCF 6628664446baeb74dfae3e71babf1ca9 [0,1,0,0,0,0|2,0,0]=3 698 B12R1.114 COc1ccc(c(c1)F)NC=O 0f17e1ed21050e32656f4ab79ca4efc0 [0,1,0,0,0,0|2,0,1]=4 699 B12R1.114 COc1ccc(c(c1)F)NCF ba40e0ddbbcb876427ccc41c83395fe5 [0,1,0,0,0,0|2,0,0]=3 700 B12R1.114 COc1ccc(c(c1)F)NCO dbca4f7a87f77f9e8f601ca14a3e70d1 [0,1,0,0,0,0|2,0,0]=3 701 B12R1.114 COc1ccc(c(c1)F)OCF 7e9573d9258a629bb1d2266727f9fa4d [0,1,0,0,0,0|2,0,0]=3 702 B12R1.114 COc1ccc(c(c1)I)NC=O 2967a843e5dc03d505dbf287f0d6bc5d [0,1,0,0,0,0|2,0,1]=4 703 B12R1.114 COc1ccc(c(c1)I)NCF a2f9e7610d8db5731cfe964ed1bb7e35 [0,1,0,0,0,0|2,0,0]=3 704 B12R1.114 COc1ccc(c(c1)I)NCO 461c7e37f7b9aa1070131418e06bf864 [0,1,0,0,0,0|2,0,0]=3 705 B12R1.114 COc1ccc(c(c1)I)OCF 1a0b1c8b8ef14484fd79addade72f1ea [0,1,0,0,0,0|2,0,0]=3 706 B12R1.114 COc1ccc(c(c1)O)NC=O 233025286c1dac51b30196669450cf92 [0,1,0,0,0,0|2,0,1]=4 707 B12R1.114 COc1ccc(c(c1)S)NC=O eba7f1b809452b9198b40b862ca33149 [0,1,0,0,0,0|2,0,1]=4 708 B12R1.114 COc1ccc(c(c1)S)NCF aa1457a19054efb2d6a570d0cd701ce5 [0,1,0,0,0,0|2,0,0]=3 709 B12R1.114 COc1ccc(c(c1)S)NCO 442db8b050ce84584bffdaf8b207e17b [0,1,0,0,0,0|2,0,0]=3 710 B12R1.114 COc1ccc(c(n1)Br)NCO fcb264c7f58dc481290324d3b6989c26 [0,1,0,0,0,0|3,0,0]=4 711 B12R1.114 COc1ccc(c(n1)C)NCO a82e65b4af368b6852d9a4ee47dd3a58 [0,1,0,0,0,0|3,0,0]=4 712 B12R1.114 COc1ccc(c(n1)C)OCF 15c6996204aed75609407306bdc61c2d [0,1,0,0,0,0|3,0,0]=4 713 B12R1.114 COc1ccc(c(n1)Cl)NCF 4e8812fe98302525c506c6f31586b20a [0,1,0,0,0,0|3,0,0]=4 714 B12R1.114 COc1ccc(c(n1)Cl)NCO 3bcb002bcc6f5c842067141e18240f88 [0,1,0,0,0,0|3,0,0]=4 715 B12R1.114 COc1ccc(c(n1)Cl)OCF 6c6df41174912a77e6fa2efacdeab9c6 [0,1,0,0,0,0|3,0,0]=4 716 B12R1.114 COc1ccc(c(n1)F)NCO 5d85d6a5b1fb68a391126875eb64aae7 [0,1,0,0,0,0|3,0,0]=4 717 B12R1.114 COc1cnc(c(c1)Br)NCF 10ee725582cd3e382ad9a5b2b2bf9769 [0,1,0,0,0,0|3,0,0]=4 718 B12R1.114 COc1cnc(c(c1)Br)NCO a14891ae7a68d7ca52ac256f21b63f00 [0,1,0,0,0,0|3,0,0]=4 719 B12R1.114 COc1cnc(c(c1)C)NCF aeb77da0f980284a43d9b95e6d258219 [0,1,0,0,0,0|3,0,0]=4 720 B12R1.114 COc1cnc(c(c1)C)NCO 058257e05bd24b1c11ea59a692199285 [0,1,0,0,0,0|3,0,0]=4 721 B12R1.114 COc1cnc(c(c1)Cl)OCF 2332e2353bcb0216a6b4f18bb3519cec [0,1,0,0,0,0|3,0,0]=4 722 B12R1.114 COc1cnc(c(c1)F)NCF 793f34d918d492b80a7e8d7507bda125 [0,1,0,0,0,0|3,0,0]=4 723 B12R1.114 COc1cnc(c(c1)F)NCO a99ad0f87227df1beb9e5b922f410619 [0,1,0,0,0,0|3,0,0]=4 724 B12R1.114 CSc1ccc(c(c1)Br)OCF 3184e4db96624b9697a18413e1359110 [0,1,0,0,0,0|2,1,0]=4 725 B12R1.114 CSc1ccc(c(c1)C)NCF af4347b13ec6bf54f09fc2c76616ce5e [0,1,0,0,0,0|2,1,0]=4 726 B12R1.114 CSc1ccc(c(c1)C)OCF 8932723bf6cb77540433ddd20ae6fb22 [0,1,0,0,0,0|2,1,0]=4 727 B12R1.114 CSc1ccc(c(c1)F)NCF e4020d691d0054ba8c379d9083cfe7f5 [0,1,0,0,0,0|2,1,0]=4 728 B12R1.114 CSc1ccc(c(c1)F)NCO 471f2d4433f1aafaeb278a9257312579 [0,1,0,0,0,0|2,1,0]=4 729 B12R1.116 C#CCc1ccc(cc1)OCC 217fd972950ef60d01ba20031e1c54d2 [0,1,0,0,0,0|0,0,2]=3 730 B12R1.116 C#CCc1ccc(cc1)OCF 9e6583f456bf93e14577f71f26d60283 [0,1,0,0,0,0|0,0,2]=3 731 B12R1.116 C=CCc1ccc(cc1)NCC 76cf3f6839e9819fdc0ccabbe1cba9a6 [0,1,0,0,0,0|1,0,2]=4 732 B12R1.116 C=CCc1ccc(cc1)NCF 8195ae7c4eff70f8049cff3cc284be29 [0,1,0,0,0,0|1,0,2]=4 733 B12R1.116 C=CCc1ccc(cc1)NCO 6baea3b81ead57f4ec52f061cab762ea [0,1,0,0,0,0|1,0,2]=4 734 B12R1.116 C=CCc1ccc(cc1)OCC e0366c1eaff6d402c4574bf903ad8f07 [0,1,0,0,0,0|0,0,2]=3 735 B12R1.116 C=CCc1ccc(cc1)OCF e067c7b0d3f177dbfecf720e8bbd3c28 [0,1,0,0,0,0|0,0,2]=3 736 B12R1.116 CCCc1ccc(cc1)NC=O aa18d4d4986e694d624f91117086e0d4 [0,1,0,0,0,0|1,0,1]=3 737 B12R1.116 CCCc1ccc(cc1)NCC 905c43004537010e264598b20c1cdd02 [0,1,0,0,0,0|1,0,0]=2 738 B12R1.116 CCCc1ccc(cc1)NCF afe48992e285551fbbecfcb2c7685970 [0,1,0,0,0,0|1,0,0]=2 739 B12R1.116 CCCc1ccc(cc1)NCO 428b7a12bce35053ad8cbd8e28c492c3 [0,1,0,0,0,0|1,0,0]=2 740 B12R1.116 CCCc1ccc(cc1)OCF 888893c523a3fe7879a9c7d418f35d17 [0,1,0,0,0,0|0,0,0]=1 741 B12R1.116 CCCc1ncc(cn1)NCC e7ad43a521ca156ad50d347a6d9bcf66 [0,1,0,0,0,0|3,0,0]=4 742 B12R1.116 CCCc1ncc(cn1)NCF f81cca9fe06701fea2d7037113dd70bb [0,1,0,0,0,0|3,0,0]=4 743 B12R1.116 CCCc1ncc(cn1)NCO 51a8edc1750586df107aeac4f7edd7af [0,1,0,0,0,0|3,0,0]=4 744 B12R1.116 CCNc1ccc(cc1)CC#N 65231e28458245695241f6ccd544133b [0,1,0,0,0,0|2,0,1]=4 745 B12R1.116 CCNc1ccc(cc1)CCBr a13589b7bc423db3312e19b8f2a5e22a [0,1,0,0,0,0|2,0,0]=3 746 B12R1.116 CCNc1ccc(cc1)CCO a95accf379cea510f57d44904cc207c0 [0,1,0,0,0,0|2,0,0]=3 747 B12R1.116 CCNc1ccc(cc1)COC b610a9d71b5ba60f3928bbf09d0e5492 [0,1,0,0,0,0|1,0,0]=2 748 B12R1.116 CCNc1ccc(cc1)CSC 5433b1f0a74c0b5fa3877354c85b99f9 [0,1,0,0,0,0|1,1,0]=3 749 B12R1.116 CCNc1ccc(cc1)OCC 532b1e64c07417441c842e1b966cfedc [0,1,0,0,0,0|1,0,0]=2 750 B12R1.116 CCNc1ccc(cc1)OCF 8134a8e4d6947fcd0ff91985276d57bf [0,1,0,0,0,0|1,0,0]=2 751 B12R1.116 CCNc1ccc(cc1)SC#N 2f8c397c77d393ddd61e68aadf97f0d9 [0,1,0,0,0,0|1,1,1]=4 752 B12R1.116 CCNc1ccc(cn1)OCC 6f1db737b23bbcff230264024aa69255 [0,1,0,0,0,0|2,0,0]=3 753 B12R1.116 CCNc1ccc(nc1)OCC b55b2399d44bfe0ae6a4236338f4c3ba [0,1,0,0,0,0|2,0,0]=3 754 B12R1.116 CCNc1ccc(nn1)OCC 4b19c53aa0e58c4aeb2c71403f9eeb78 [0,1,0,0,0,0|3,0,0]=4 755 B12R1.116 CCNc1cnc(cn1)OCC c6a6666dd5875984204131c17dd62295 [0,1,0,0,0,0|3,0,0]=4 756 B12R1.116 CCNc1cnc(nc1)OCC 42043de1a4cfb00d1cab742652348622 [0,1,0,0,0,0|3,0,0]=4 757 B12R1.116 CCNc1ncc(cn1)OCC 7ca4a82e635c499523a188b10746a3aa [0,1,0,0,0,0|3,0,0]=4 758 B12R1.116 CCOc1ccc(cc1)CC#N 1bde56eb0d31b50c9403a5cddb293beb [0,1,0,0,0,0|1,0,1]=3 759 B12R1.116 CCOc1ccc(cc1)CC=O d396566923ca8b1263eeb7e7a1a9ca05 [0,1,0,0,0,0|1,0,1]=3 760 B12R1.116 CCOc1ccc(cc1)CCF 8e58c47608395f795be3a7e7c7f73e0d [0,1,0,0,0,0|1,0,0]=2 761 B12R1.116 CCOc1ccc(cc1)COC d54c81061959349a004f1282a936bd96 [0,1,0,0,0,0|1,0,0]=2 762 B12R1.116 CCOc1ccc(cc1)NC=O b2a95d08ee862dc8f9740ff99ca19d37 [0,1,0,0,0,0|2,0,1]=4 763 B12R1.116 CCOc1ccc(cc1)NCF eb00be5f7999409b139ec10bac3f698d [0,1,0,0,0,0|2,0,0]=3 764 B12R1.116 CCOc1ccc(cc1)NCO 30cd6a89be1ee5274c318c0b4fadddb2 [0,1,0,0,0,0|2,0,0]=3 765 B12R1.116 CCOc1ccc(cc1)OCC 38ab91c66f4b734b7bb132e224ee9558 [0,1,0,0,0,0|1,0,0]=2 766 B12R1.116 CCOc1ccc(cc1)OCF 137f0af2e139655f0b28e21c6a56b133 [0,1,0,0,0,0|1,0,0]=2 767 B12R1.116 CCOc1ccc(cc1)SCC 2be5fc0761daf22311becb0191f9348d [0,1,0,0,0,0|1,0,0]=2 768 B12R1.116 CCOc1ccc(cn1)NCF 8e386a46594e3f3ddd9c1931f5d0ac8f [0,1,0,0,0,0|3,0,0]=4 769 B12R1.116 CCOc1ccc(cn1)NCO 8e381a3a6d75d4610fabbf853b39cdf0 [0,1,0,0,0,0|3,0,0]=4 770 B12R1.116 CCOc1ccc(cn1)OCF 307b1b394dc7f7b19864ae5407e2294c [0,1,0,0,0,0|2,0,0]=3 771 B12R1.116 CCOc1ccc(nc1)NCF 76a18d6b876525cfb8534b05aa69a54d [0,1,0,0,0,0|3,0,0]=4 772 B12R1.116 CCOc1ccc(nc1)NCO e087cc83dcdf17c0f727ad9d415430ca [0,1,0,0,0,0|3,0,0]=4 773 B12R1.116 CCOc1ccc(nc1)OCC d3e3b932a08a0fd08d2df732ec76401e [0,1,0,0,0,0|2,0,0]=3 774 B12R1.116 CCOc1cnc(nc1)COC d3f8fffd650b4c1215e0b72423b0d7dd [0,1,0,0,0,0|3,0,0]=4 775 B12R1.116 CCSc1ccc(cc1)OCF 002df6a8f93d9b5714e218fc645e5fa5 [0,1,0,0,0,0|1,0,0]=2 776 B12R1.116 COCc1ccc(cc1)NC=O d77b1cdc2fbf93e7688cef0ab91e7ec7 [0,1,0,0,0,0|2,0,1]=4 777 B12R1.116 COCc1ccc(cc1)NCF 131edac556f17ca171860ccf6e35cc75 [0,1,0,0,0,0|2,0,0]=3 778 B12R1.116 COCc1ccc(cc1)NCO 64c9edf13233cbcd6af31dc509e959b3 [0,1,0,0,0,0|2,0,0]=3 779 B12R1.116 COCc1ccc(cc1)OCF e95b5e21eea05cdc15b1ea5720eac490 [0,1,0,0,0,0|1,0,0]=2 780 B12R1.116 COCc1ncc(cn1)OCF b1b5634e14dc19158905a58a68ae0464 [0,1,0,0,0,0|3,0,0]=4 781 B12R1.116 CSCc1ccc(cc1)NC=O d86b6d63ddc26225271756dd0ed3d5d0 [0,1,0,0,0,0|2,0,1]=4 782 B12R1.116 CSCc1ccc(cc1)NCF 609e730778c554ef393de6916e937b52 [0,1,0,0,0,0|2,0,0]=3 783 B12R1.116 CSCc1ccc(cc1)NCO cdb2607fb6f97f00e4c9b33d265a4e99 [0,1,0,0,0,0|2,0,0]=3 784 B12R1.116 FCCc1ccc(cc1)OCF 6adaf09a79baa9b987d71649c0e0d889 [0,1,0,0,0,0|1,0,0]=2 785 B12R1.116 FCNc1ccc(cc1)CCBr d00a961a7150126e1efcbf83f40e3302 [0,1,0,0,0,0|2,0,0]=3 786 B12R1.116 FCNc1ccc(cc1)OCF ff2d70c45e37cf048b503846b69de3e0 [0,1,0,0,0,0|2,0,0]=3 787 B12R1.116 N#CCc1ccc(cc1)NCF d6cde5c75bbf162473db4b26241373e2 [0,1,0,0,0,0|2,0,1]=4 788 B12R1.116 N#CCc1ccc(cc1)NCO 107be78d76668a4a55c1d59e2e1d8e3e [0,1,0,0,0,0|2,0,1]=4 789 B12R1.116 N#CCc1ccc(cc1)OCF a034161e7d0e2d5bc8bf311f93a9e868 [0,1,0,0,0,0|1,0,1]=3 790 B12R1.116 N#CNc1ccc(cc1)CCO 9a91cefd611d2c42dfe81147ee742ef7 [0,1,0,0,0,0|2,0,1]=4 791 B12R1.116 O=CCc1ccc(cc1)OCF 9870f5aa35243ec3b3c997dda6c0ddd5 [0,1,0,0,0,0|1,0,1]=3 792 B12R1.116 O=CNc1ccc(cc1)CCBr 5e21c8f8accd603f00e48348bd2db86a [0,1,0,0,0,0|2,0,1]=4 793 B12R1.116 O=CNc1ccc(cc1)CCO 23a360879cf3725f1c436b5bd4d67e8e [0,1,0,0,0,0|2,0,1]=4 794 B12R1.116 O=CNc1ccc(cc1)OCF e04836327428587b8e216a769a7750c1 [0,1,0,0,0,0|2,0,1]=4 795 B12R1.116 OCCc1ccc(cc1)NCF 01a75113bfdb96733a673955714c8ed9 [0,1,0,0,0,0|2,0,0]=3 796 B12R1.116 OCCc1ccc(cc1)NCO 921ccbe6f94a546264ee4819a770db36 [0,1,0,0,0,0|2,0,0]=3 797 B12R1.116 OCNc1ccc(cc1)CCBr 9a93aa5185dbef9d28270e7b66cc5a72 [0,1,0,0,0,0|2,0,0]=3 798 B12R1.116 OCNc1ccc(cc1)OCF f5d09628b027941d08bb2c3fc009efdf [0,1,0,0,0,0|2,0,0]=3 799 B12R1.288 C#Cc1ccc(cc1Cl)NCC eec3f15a6ac2090198d3c85c263c72b7 [0,1,0,0,0,0|2,0,1]=4 800 B12R1.288 C#Cc1ccc(cc1F)NCC 180da8b0190cf662fded9f372dd4f062 [0,1,0,0,0,0|2,0,1]=4 801 B12R1.288 CCNc1cc(c(cn1)OC)C 0b352c5d4cfaa40686b1478e155b90d6 [0,1,0,0,0,0|2,0,0]=3 802 B12R1.288 CCNc1cc(c(cn1)OC)Cl f175baf07e952fa0a3ad3e2d26b62142 [0,1,0,0,0,0|2,0,0]=3 803 B12R1.288 CCNc1cc(c(cn1)OC)F 9c75e469f7bd067e44db21b8c1636773 [0,1,0,0,0,0|2,0,0]=3 804 B12R1.288 CCNc1cc(c(nn1)OC)Cl 00240408d2368acdab4f6f162e6f605d [0,1,0,0,0,0|3,0,0]=4 805 B12R1.288 CCNc1ccc(c(c1)Br)C#N 3092db81f81df89bc1ecca83aa6b59e3 [0,1,0,0,0,0|3,0,0]=4 806 B12R1.288 CCNc1ccc(c(c1)Br)C=O 453bfa34686a671bdab29003e2c4cec1 [0,1,0,0,0,0|3,0,0]=4 807 B12R1.288 CCNc1ccc(c(c1)Br)CC 2d3367c0d6131e24439d1ac1025238d5 [0,1,0,0,0,0|2,0,0]=3 808 B12R1.288 CCNc1ccc(c(c1)Br)CO 793d3b083aa8f9a8fa41c14400a4de03 [0,1,0,0,0,0|3,0,0]=4 809 B12R1.288 CCNc1ccc(c(c1)Br)OC f33755073e5a2f1b32a0c367ee8308cc [0,1,0,0,0,0|1,0,0]=2 810 B12R1.288 CCNc1ccc(c(c1)C)C#N 5bdbff4d5c46ac6657313dd93c474546 [0,1,0,0,0,0|3,0,0]=4 811 B12R1.288 CCNc1ccc(c(c1)C)CO aa120557ba157a55476be22665067272 [0,1,0,0,0,0|3,0,0]=4 812 B12R1.288 CCNc1ccc(c(c1)C)OC 5a357e499dde1220b4dac4279cc340ef [0,1,0,0,0,0|1,0,0]=2 813 B12R1.288 CCNc1ccc(c(c1)Cl)C#N 2aa9d5fff071cfe0b19b75d8dc76c83a [0,1,0,0,0,0|3,0,0]=4 814 B12R1.288 CCNc1ccc(c(c1)Cl)C=O 1e58c995af2ed33eb148058b09c81fa8 [0,1,0,0,0,0|3,0,0]=4 815 B12R1.288 CCNc1ccc(c(c1)Cl)CC 7a721a2a1f20e11a90dfcfb7e707b3e2 [0,1,0,0,0,0|2,0,0]=3 816 B12R1.288 CCNc1ccc(c(c1)Cl)CO 78772761602bc3875ff07d1d8e71c02b [0,1,0,0,0,0|3,0,0]=4 817 B12R1.288 CCNc1ccc(c(c1)Cl)OC 5e37cf78a06e808f96e2e50f64d78827 [0,1,0,0,0,0|1,0,0]=2 818 B12R1.288 CCNc1ccc(c(c1)Cl)SC af8435d65b52e42ebc5a44a77342d4d4 [0,1,0,0,0,0|1,1,0]=3 819 B12R1.288 CCNc1ccc(c(c1)F)C#N dccc9b3dc521d5706fe9f2647398422e [0,1,0,0,0,0|3,0,0]=4 820 B12R1.288 CCNc1ccc(c(c1)F)C=O 71fcbba248cbaacf38d87632f1239d49 [0,1,0,0,0,0|3,0,0]=4 821 B12R1.288 CCNc1ccc(c(c1)F)CO af921b4582a5722f7a380b496d79767f [0,1,0,0,0,0|3,0,0]=4 822 B12R1.288 CCNc1ccc(c(c1)F)OC 8c0a18cfa5742be403f36667110ea17e [0,1,0,0,0,0|1,0,0]=2 823 B12R1.288 CCNc1ccc(c(c1)F)SC 78190f66367f27cd6f258b7cf72e4fd1 [0,1,0,0,0,0|1,1,0]=3 824 B12R1.288 CCNc1ccc(c(c1)I)CO 0973177f1fb0dc020f77d73cf881b1e2 [0,1,0,0,0,0|3,0,0]=4 825 B12R1.288 CCNc1ccc(c(c1)I)OC 7f04137b2021df2eef8ea4b417ce4caf [0,1,0,0,0,0|1,0,0]=2 826 B12R1.288 CCNc1ccc(c(n1)Br)OC 0cd2a5ffaf83038144328455d59b212d [0,1,0,0,0,0|2,0,0]=3 827 B12R1.288 CCNc1ccc(c(n1)C)OC 468a0c13a005885e3a3217a64bdf37cb [0,1,0,0,0,0|2,0,0]=3 828 B12R1.288 CCNc1ccc(c(n1)Cl)OC f67a5951cfe48b0d9d014fd45d783753 [0,1,0,0,0,0|2,0,0]=3 829 B12R1.288 CCNc1ccn(c(=O)c1)CC aeb127b663824eda5989cce2f5fbb311 [0,1,0,0,0,0|3,0,0]=4 830 B12R1.288 CCNc1cnc(c(c1)Br)CC 79a685bf03ea113d6753487d95d66a7f [0,1,0,0,0,0|3,0,0]=4 831 B12R1.288 CCNc1cnc(c(c1)Br)OC 46b5d42c478915b4204e8590c90518b5 [0,1,0,0,0,0|2,0,0]=3 832 B12R1.288 CCNc1cnc(c(c1)C)OC 66176fa65966cd9d5ec0b3b51dfab924 [0,1,0,0,0,0|2,0,0]=3 833 B12R1.288 CCNc1cnc(c(c1)Cl)OC 4932c47933f8505e657df2106ed8c144 [0,1,0,0,0,0|2,0,0]=3 834 B12R1.288 CCNc1cnc(c(c1)F)OC 20ae457439bb4514dafca17116b3f6b3 [0,1,0,0,0,0|2,0,0]=3 835 B12R1.288 CCNc1ncc(c(=O)[nH]1)OC d18c1d03b695b49abace1edd980e0cbe [0,1,0,0,0,0|3,0,0]=4 836 B12R1.288 CCNc1ncc(c(n1)C)OC 52edb95ef0bf70d4d95de6ba01be0e0d [0,1,0,0,0,0|3,0,0]=4 837 B12R1.288 CCNc1ncc(c(n1)Cl)OC 1c042ad8716ba140e9af36bf2a932f7f [0,1,0,0,0,0|3,0,0]=4 838 B12R1.288 CCOc1ccc(c(c1)Br)C#N a9f95230211e9240ac3a7e17aa95c0d6 [0,1,0,0,0,0|3,0,0]=4 839 B12R1.288 CCOc1ccc(c(c1)Br)C=O 2b1f24fade03fde71f80ba0e00389b3c [0,1,0,0,0,0|3,0,0]=4 840 B12R1.288 CCOc1ccc(c(c1)Br)CC 0599b6f3a186e3146a3c2faba5fd31a2 [0,1,0,0,0,0|2,0,0]=3 841 B12R1.288 CCOc1ccc(c(c1)Br)OC eb16c24b24c083bcaf5993d2501889d4 [0,1,0,0,0,0|1,0,0]=2 842 B12R1.288 CCOc1ccc(c(c1)C)C#N ca762e80bbf87768c52478c2b6df201c [0,1,0,0,0,0|3,0,0]=4 843 B12R1.288 CCOc1ccc(c(c1)C)C=O 9263f779ce60fda3ccf45ae44ec66185 [0,1,0,0,0,0|3,0,0]=4 844 B12R1.288 CCOc1ccc(c(c1)C)OC f971b9cac535e9e0fda2d524a5fae79d [0,1,0,0,0,0|1,0,0]=2 845 B12R1.288 CCOc1ccc(c(c1)C)SC 252c2c72e59ee2005a95a8e0003145af [0,1,0,0,0,0|1,1,0]=3 846 B12R1.288 CCOc1ccc(c(c1)Cl)C#N a2f619a1fec578b1f29afeec5f466360 [0,1,0,0,0,0|3,0,0]=4 847 B12R1.288 CCOc1ccc(c(c1)Cl)C=O 3cf78651626f3c17868c313afa6977ff [0,1,0,0,0,0|3,0,0]=4 848 B12R1.288 CCOc1ccc(c(c1)Cl)CC 47e969f863ce2ff770fe9bada1f606ac [0,1,0,0,0,0|2,0,0]=3 849 B12R1.288 CCOc1ccc(c(c1)Cl)OC 7c8d7fd4fe679eba974f97a0e07c291e [0,1,0,0,0,0|1,0,0]=2 850 B12R1.288 CCOc1ccc(c(c1)Cl)SC 102022007a76eab0c17e7ebebaaf4210 [0,1,0,0,0,0|1,1,0]=3 851 B12R1.288 CCOc1ccc(c(c1)F)C#N dfaa100664cac194210285e5b099cd26 [0,1,0,0,0,0|3,0,0]=4 852 B12R1.288 CCOc1ccc(c(c1)F)C=O 84906cc1f5a65aef3afc68446f39b7de [0,1,0,0,0,0|3,0,0]=4 853 B12R1.288 CCOc1ccc(c(c1)F)CC 582e827343e6e7e19cb2383c9ee0e209 [0,1,0,0,0,0|2,0,0]=3 854 B12R1.288 CCOc1ccc(c(c1)F)OC 707405be96b592f1043d3c2b907dd1f0 [0,1,0,0,0,0|1,0,0]=2 855 B12R1.288 CCOc1ccc(c(c1)F)SC 96b5caa783b465630eb5b13c4458e66d [0,1,0,0,0,0|1,1,0]=3 856 B12R1.288 CCOc1ccc(c(c1)I)C#N e8b19f58e5497ed45c642d89deb693f4 [0,1,0,0,0,0|3,0,0]=4 857 B12R1.288 CCOc1ccc(c(c1)I)C=O b6ba9b839a779b2f60d5dfa6145a5e72 [0,1,0,0,0,0|3,0,0]=4 858 B12R1.288 CCOc1ccc(c(c1)I)OC 16096f6739c9be9148f00d7d9077f5a3 [0,1,0,0,0,0|1,0,0]=2 859 B12R1.288 CCOc1cnc(c(c1)Br)OC b7b37dd83cc9f3cd9bd175ac8e644076 [0,1,0,0,0,0|2,0,0]=3 860 B12R1.288 CCOc1cnc(c(c1)C)OC a5b7c5b0d64fee2ee3f3bfb83f50942c [0,1,0,0,0,0|2,0,0]=3 861 B12R1.288 CCOc1cnc(c(c1)C)SC 4adb7912b35953785d6db55d5eac5a86 [0,1,0,0,0,0|2,1,0]=4 862 B12R1.288 CCOc1cnc(c(c1)Cl)OC d7d0a7768b14c87acc2ffaee8ddd9335 [0,1,0,0,0,0|2,0,0]=3 863 B12R1.288 CCOc1cnc(c(c1)F)OC dc6e80735c9cf8bc4698b6c103ce741d [0,1,0,0,0,0|2,0,0]=3 864 B12R1.288 CCc1ccc(cc1Br)NCF b8bb7e8a75f5a622845ab849fbaed7f3 [0,1,0,0,0,0|3,0,0]=4 865 B12R1.288 CCc1ccc(cc1Br)OCF 0da854d84c5b3e09844d7067c3bfb36b [0,1,0,0,0,0|3,0,0]=4 866 B12R1.288 CCc1ccc(cc1Cl)NCF 336ef108558408ba1a30d508edff3a7b [0,1,0,0,0,0|3,0,0]=4 867 B12R1.288 CCc1ccc(cc1Cl)NCO 44c54726533c445b9d151fc3f2aa5ffd [0,1,0,0,0,0|3,0,0]=4 868 B12R1.288 CCc1ccc(cc1Cl)OCF 3562445da8ab2aeced884ab6d2910200 [0,1,0,0,0,0|3,0,0]=4 869 B12R1.288 CCc1ccc(cc1F)OCF 6b6984cc921868cc2fd314ef8f38415e [0,1,0,0,0,0|3,0,0]=4 870 B12R1.288 COc1ccc(cc1Br)NC=O 44975a2812b7f045b29d074f4a310503 [0,1,0,0,0,0|2,0,1]=4 871 B12R1.288 COc1ccc(cc1Br)NCF 2081496ae764baa535379f4c9720fc33 [0,1,0,0,0,0|2,0,0]=3 872 B12R1.288 COc1ccc(cc1Br)NCO 7612829464bd6ce4e95785a942977b8c [0,1,0,0,0,0|2,0,0]=3 873 B12R1.288 COc1ccc(cc1Br)OCF a80d9cd3f97f0030a28147826a207e60 [0,1,0,0,0,0|2,0,0]=3 874 B12R1.288 COc1ccc(cc1C)NC=O e21380362a143a9e55d09498f135355e [0,1,0,0,0,0|2,0,1]=4 875 B12R1.288 COc1ccc(cc1C)NCF b0efe241a58c5b9a665acf1aeff602da [0,1,0,0,0,0|2,0,0]=3 876 B12R1.288 COc1ccc(cc1C)NCO c2500a8fe7fc86a4da6a64fe3882dde9 [0,1,0,0,0,0|2,0,0]=3 877 B12R1.288 COc1ccc(cc1C)OCF 9ff5b7ad6a8dc967133e6849b5c3d122 [0,1,0,0,0,0|2,0,0]=3 878 B12R1.288 COc1ccc(cc1Cl)NC=O 48e4a48fff6474b7c2dd150da194d6cf [0,1,0,0,0,0|2,0,1]=4 879 B12R1.288 COc1ccc(cc1Cl)NCF d9a0b165c5de0147d33c563a7d349e34 [0,1,0,0,0,0|2,0,0]=3 880 B12R1.288 COc1ccc(cc1Cl)NCO aff5d8321c3c5a464f9a22fb711065ef [0,1,0,0,0,0|2,0,0]=3 881 B12R1.288 COc1ccc(cc1Cl)OCF 81f62b41b0ede62978c0e281a880b4c3 [0,1,0,0,0,0|2,0,0]=3 882 B12R1.288 COc1ccc(cc1F)NC=O 75643f36973b74889493123ff147791a [0,1,0,0,0,0|2,0,1]=4 883 B12R1.288 COc1ccc(cc1F)NCF b8913c0e21e68375661c162d023a7c2a [0,1,0,0,0,0|2,0,0]=3 884 B12R1.288 COc1ccc(cc1F)NCO b62f30c3a07be08d9cc643081b2ac8c5 [0,1,0,0,0,0|2,0,0]=3 885 B12R1.288 COc1ccc(cc1F)OCF 0e4cf4e58aaa38211af367f09a504b63 [0,1,0,0,0,0|2,0,0]=3 886 B12R1.288 COc1ccc(cc1I)NC=O bac8f07a5087910b7c32934a082bc728 [0,1,0,0,0,0|2,0,1]=4 887 B12R1.288 COc1ccc(cc1I)NCF 71285d2332367801effb6f8a60fc7a6d [0,1,0,0,0,0|2,0,0]=3 888 B12R1.288 COc1ccc(cc1I)NCO b5d4a57c9457f9486dbeb077ff44d0bc [0,1,0,0,0,0|2,0,0]=3 889 B12R1.288 COc1ccc(cc1I)OCF 4a59de0e97e9a9c47b8bd7f1837f96cb [0,1,0,0,0,0|2,0,0]=3 890 B12R1.288 COc1ccc(nc1Br)NCF d1c3505af91182848556cbfebd26f58d [0,1,0,0,0,0|3,0,0]=4 891 B12R1.288 COc1ccc(nc1Br)NCO 0613b420cd0639670510f2ae5d19b2b6 [0,1,0,0,0,0|3,0,0]=4 892 B12R1.288 COc1ccc(nc1C)NCF 9d2a0ec311d29003829ce1f57b98c543 [0,1,0,0,0,0|3,0,0]=4 893 B12R1.288 COc1ccc(nc1C)NCO 3de7518bac2dd1378c21125f7f307b1b [0,1,0,0,0,0|3,0,0]=4 894 B12R1.288 COc1ccc(nc1Cl)NCF 463f9247db5aa20ab99881983303127a [0,1,0,0,0,0|3,0,0]=4 895 B12R1.288 COc1ccc(nc1Cl)NCO 35a44bbc333b26205dbeab673c94ea8b [0,1,0,0,0,0|3,0,0]=4 896 B12R1.288 COc1cnc(cc1C)NCF c677dcbc9f521cc5b16b567ab36bfd25 [0,1,0,0,0,0|3,0,0]=4 897 B12R1.288 COc1cnc(cc1C)NCO 281a5fc3a6f6d370a62607e2ab9b8465 [0,1,0,0,0,0|3,0,0]=4 898 B12R1.288 COc1cnc(cc1Cl)NCF 9f0ab37dca6d98f6e61aec85410db71a [0,1,0,0,0,0|3,0,0]=4 899 B12R1.288 COc1cnc(cc1Cl)NCO 0f5353d4a637b678604f4c462a1300e1 [0,1,0,0,0,0|3,0,0]=4 900 B12R1.288 COc1cnc(cc1F)NCF a91dda6f75d57529ccd387d3ae28f377 [0,1,0,0,0,0|3,0,0]=4 901 B12R1.288 COc1cnc(cc1F)NCO aa817ed00e9d6d29ae6865299ceee306 [0,1,0,0,0,0|3,0,0]=4 902 B12R1.288 COc1ncc(cc1Br)NCF 6e1b2554c6531d0aab8d94e47e3fa210 [0,1,0,0,0,0|3,0,0]=4 903 B12R1.288 COc1ncc(cc1Br)NCO 073aa69a6c26a79767affa8cc9cde358 [0,1,0,0,0,0|3,0,0]=4 904 B12R1.288 COc1ncc(cc1Br)OCF a6e9ce4c2fc6f7012a15275d3c2ba6b1 [0,1,0,0,0,0|3,0,0]=4 905 B12R1.288 COc1ncc(cc1C)NCF fc3ad6f34304500efa9a931e3343019d [0,1,0,0,0,0|3,0,0]=4 906 B12R1.288 COc1ncc(cc1C)NCO 41e651d168dc62175aabcbbe191435c2 [0,1,0,0,0,0|3,0,0]=4 907 B12R1.288 COc1ncc(cc1C)OCF d66b29aef8249e69a1f9badd6e0ddd76 [0,1,0,0,0,0|3,0,0]=4 908 B12R1.288 COc1ncc(cc1Cl)NCF 12e65b58f6c3957c23e765df1882f8df [0,1,0,0,0,0|3,0,0]=4 909 B12R1.288 COc1ncc(cc1Cl)NCO 0ef885bd38a46786bdfc08ee137b3ac7 [0,1,0,0,0,0|3,0,0]=4 910 B12R1.288 COc1ncc(cc1Cl)OCF f0b1c2e50e94675d4443f8c273e389ed [0,1,0,0,0,0|3,0,0]=4 911 B12R1.288 COc1ncc(cc1F)NCF 5c323b2583a6b6ea9e508071e28414d5 [0,1,0,0,0,0|3,0,0]=4 912 B12R1.288 COc1ncc(cc1F)NCO 76772147057be8c7b5d3a54525c65265 [0,1,0,0,0,0|3,0,0]=4 913 B12R1.288 COc1ncc(cc1F)OCF 8a5aebb45f234e1638df090f0678e451 [0,1,0,0,0,0|3,0,0]=4 914 B12R1.288 CSc1ccc(cc1C)OCF de5647de2ed679d5b60ae8b7e174d82f [0,1,0,0,0,0|2,1,0]=4 915 B12R1.288 CSc1ccc(cc1Cl)NCF 17e3442051b8ade71dce44e6d499e7a1 [0,1,0,0,0,0|2,1,0]=4 916 B12R1.288 CSc1ccc(cc1Cl)NCO 8ca0007a5c4ce5f3ec5c7a25200721eb [0,1,0,0,0,0|2,1,0]=4 917 B12R1.288 CSc1ccc(cc1Cl)OCF 160ca7b23d41c189d6f10c6dcbd5b445 [0,1,0,0,0,0|2,1,0]=4 918 B12R1.288 CSc1ccc(cc1F)NCF d03ac1cba2361bd773a7299180d4932a [0,1,0,0,0,0|2,1,0]=4 919 B12R1.288 CSc1ccc(cc1F)NCO 40b3d754f87655b65215b92fed483cfe [0,1,0,0,0,0|2,1,0]=4 920 B12R1.288 CSc1ccc(cc1F)OCF 441065bb0df910e50d1a45982dde46d7 [0,1,0,0,0,0|2,1,0]=4 921 B10R0.108 C=C(COC(=S)CCC)OC 24125f43bc07479a9438e1a299a3bdb6 [0,0,1,0,0,0|2,0,1]=4 922 B12R2.143 CCNc1ccc2c(c1)CC2 07ea1705f0da032980e01b039f2c2595 [0,0,0,1,0,0|2,0,0]=3 923 B12R2.143 FCNc1ccc2c(c1)CC2 cc385a92355c2a235eecef387a1b595d [0,0,0,1,0,0|3,0,0]=4 924 B12R2.143 OCNc1ccc2c(c1)CC2 ab47e90195a3cdd58ed2c4fc0d1d76ed [0,0,0,1,0,0|3,0,0]=4 925 B10R1.96 CCNc1cc([nH]n1)OC 77f2167585abc204794432c00e21ab71 [0,0,0,0,1,0|3,0,0]=4 926 B10R1.96 CCNc1cc(no1)OC d3f4b2a78a60a9dfc480d7bdf2afc403 [0,0,0,0,1,0|3,0,0]=4 927 B10R1.96 CCNc1cc(on1)OC 30f7a0a2e955243285ac3b7c734b2860 [0,0,0,0,1,0|3,0,0]=4 928 B10R1.96 CCNc1cnc(s1)OC a2434b761ab2babce9003b505c2e2596 [0,0,0,0,1,0|3,0,0]=4 929 B10R1.96 CCNc1ncc(s1)OC 87d93a2259d4c4219f192d8b50e7c70c [0,0,0,0,1,0|3,0,0]=4 930 B9R1.8 CCNc1ccccc1 33257e4a9e1d882742dfd4cfddb78cda [2,0,0,0,0,0|1,0,0]=3 931 B9R1.8 CCNc1ccccn1 2525c23bd886b96c78c0be1e9ad1905b [2,0,0,0,0,0|2,0,0]=4 932 B9R1.8 CCNc1cccnc1 e16c06cad87ecb5a3a4a58b6d8537631 [2,0,0,0,0,0|2,0,0]=4 933 B9R1.8 CCNc1ccncc1 76118d388bf159fc52a5b3b43773c6d0 [2,0,0,0,0,0|2,0,0]=4 934 B9R1.8 CCOc1ccccn1 8b10ed115fcb5b65f209d3b07c05b728 [2,0,0,0,0,0|2,0,0]=4 935 B9R1.8 CCOc1cccnc1 efa582b018c37c3ab155936515b551ea [2,0,0,0,0,0|2,0,0]=4 936 B9R1.8 CCOc1ccncc1 365c1eef106f5326bc3144a980f01ba5 [2,0,0,0,0,0|2,0,0]=4 937 B9R1.8 FCNc1ccccc1 c8185de2a7206057ede93409452a493c [2,0,0,0,0,0|2,0,0]=4 938 B9R1.8 OCNc1ccccc1 6a26daba1a11b7282126aadb7f7b8f97 [2,0,0,0,0,0|2,0,0]=4 939 B11R0.70 CCCNC(=O)/C=C/C(=O)OC c88f68689fb876b0b45d2661738493b3 [0,1,1,0,0,0|2,0,0]=4 940 B11R0.70 CCCNC(=O)/C=C\C(=O)OC 027d77d7c1ca60acbec9b7968ce773ca [0,1,1,0,0,0|2,0,0]=4 941 B11R0.70 CCCNC(=O)C=CC(=O)OC bb1152f238e803ef41fad456bbc86a36 [0,1,1,0,0,0|2,0,0]=4 942 B11R1.1 C#CCNc1ccc(cc1)C 34c9f197f971da874ae7626a0b74173e [1,1,0,0,0,0|0,0,2]=4 943 B11R1.1 C#CCOc1ccc(cc1)C 896547e9686664dd8ea557b7ec0e9941 [1,1,0,0,0,0|0,0,2]=4 944 B11R1.1 C=CCNc1ccc(cc1)C 62056623a0561a4540c8c52e6e31e32f [1,1,0,0,0,0|0,0,2]=4 945 B11R1.1 C=CCOc1ccc(cc1)C cef0428792cf4168ad9fd81785326672 [1,1,0,0,0,0|0,0,2]=4 946 B11R1.1 CCCNc1ccc(=O)[nH]c1 788491b37865b7508a806e3465be9c1e [1,1,0,0,0,0|1,0,1]=4 947 B11R1.1 CCCNc1ccc(cc1)Br 95e3de2d252597fde5ce9a477304d00e [1,1,0,0,0,0|1,0,0]=3 948 B11R1.1 CCCNc1ccc(cc1)C 60206ed79d50ce0b51d2c9baa6a9bfd8 [1,1,0,0,0,0|0,0,0]=2 949 B11R1.1 CCCNc1ccc(cc1)Cl 78619a742ccf6ba08a4394e2ee033c54 [1,1,0,0,0,0|1,0,0]=3 950 B11R1.1 CCCNc1ccc(cc1)F 03593481ab116133e85310d463cb3940 [1,1,0,0,0,0|1,0,0]=3 951 B11R1.1 CCCNc1ccc(cc1)I 1d619469e460bbb1d49ca10b65682c62 [1,1,0,0,0,0|1,0,0]=3 952 B11R1.1 CCCNc1ccc(cc1)S 5de90476a8c0464c76157dc952d2c04c [1,1,0,0,0,0|0,1,0]=3 953 B11R1.1 CCCNc1ccc(cn1)Br 21ad52c0b7cad2f16279c41b12c3dd20 [1,1,0,0,0,0|2,0,0]=4 954 B11R1.1 CCCNc1ccc(cn1)C 49b1b111cca17d95ac5b969044ae90fe [1,1,0,0,0,0|1,0,0]=3 955 B11R1.1 CCCNc1ccc(cn1)Cl a95c01f05e53613156fba3b0f8d7f780 [1,1,0,0,0,0|2,0,0]=4 956 B11R1.1 CCCNc1ccc(cn1)F bd191ccc5254163826bb8b5b65ee6ba9 [1,1,0,0,0,0|2,0,0]=4 957 B11R1.1 CCCNc1ccc(cn1)I 3117f77f4a2d396d13ad23c0ed5be14e [1,1,0,0,0,0|2,0,0]=4 958 B11R1.1 CCCNc1ccc(nc1)Br c94a8cb0ce30ba24f74624f4b9b038a4 [1,1,0,0,0,0|2,0,0]=4 959 B11R1.1 CCCNc1ccc(nc1)C 7d88a307944adac731bde6f988e446cd [1,1,0,0,0,0|1,0,0]=3 960 B11R1.1 CCCNc1ccc(nc1)Cl b1c722121661a42e5d6842a9b28519ac [1,1,0,0,0,0|2,0,0]=4 961 B11R1.1 CCCNc1ccc(nc1)F 85865fae01c522e244e3ef69d8b38878 [1,1,0,0,0,0|2,0,0]=4 962 B11R1.1 CCCNc1ccc(nc1)I b4159aeffce60ad6131e4364b9368e94 [1,1,0,0,0,0|2,0,0]=4 963 B11R1.1 CCCNc1ccc(nn1)C 4a47f404f21e29fa778a561433c0b743 [1,1,0,0,0,0|2,0,0]=4 964 B11R1.1 CCCNc1cnc(cn1)C 8a7aa0209c65f0751183b5a5e627c60d [1,1,0,0,0,0|2,0,0]=4 965 B11R1.1 CCCNc1cnc(nc1)C d7af60d153686f509764acc529f19253 [1,1,0,0,0,0|2,0,0]=4 966 B11R1.1 CCCNc1ncc(cn1)C ed908b7ca7d2ae1e9bbe46369c508790 [1,1,0,0,0,0|2,0,0]=4 967 B11R1.1 CCCOc1ccc(cc1)Br fcee74d69e8e023a5434abc8b0385424 [1,1,0,0,0,0|1,0,0]=3 968 B11R1.1 CCCOc1ccc(cc1)C 4fdcf2ff939bb0420513a197f77843e9 [1,1,0,0,0,0|0,0,0]=2 969 B11R1.1 CCCOc1ccc(cc1)Cl 6ca291266ab2c05a274ea67a7fbcb647 [1,1,0,0,0,0|1,0,0]=3 970 B11R1.1 CCCOc1ccc(cc1)F 18444060e70b801a4550e15d090495f3 [1,1,0,0,0,0|1,0,0]=3 971 B11R1.1 CCCOc1ccc(cc1)I 1cc2cc68a2ed4244fd1e94b3d6df9d5e [1,1,0,0,0,0|1,0,0]=3 972 B11R1.1 CCCOc1ccc(cc1)S 5c2ad8fc9e5698065bd7177da22c3e46 [1,1,0,0,0,0|0,1,0]=3 973 B11R1.1 CCCOc1ccc(cn1)C a2aa3425c184ebbd01762c44679803c0 [1,1,0,0,0,0|1,0,0]=3 974 B11R1.1 CCCOc1ccc(cn1)Cl 0c1b7fe9f246d104ebcbc468a16004c1 [1,1,0,0,0,0|2,0,0]=4 975 B11R1.1 CCCOc1ccc(cn1)F 6a93fffcdab2ace921c013c1d2a630f1 [1,1,0,0,0,0|2,0,0]=4 976 B11R1.1 CCCOc1ccc(cn1)I ca1682e59f74f1735f8a64800a62750a [1,1,0,0,0,0|2,0,0]=4 977 B11R1.1 CCCOc1ccc(nc1)Br c0aef75a4817cab606425a2121c50d36 [1,1,0,0,0,0|2,0,0]=4 978 B11R1.1 CCCOc1ccc(nc1)C e7dbc804100b6abbbe2b0f45f45546ba [1,1,0,0,0,0|1,0,0]=3 979 B11R1.1 CCCOc1ccc(nc1)Cl 18ab5a610d56358eac2068ee56cbca89 [1,1,0,0,0,0|2,0,0]=4 980 B11R1.1 CCCOc1ccc(nc1)F d5473478a7dbdb85a03b2038e1b4207d [1,1,0,0,0,0|2,0,0]=4 981 B11R1.1 CCCOc1ccc(nc1)I 8a80b63748b30da8afc9dd9cedc24183 [1,1,0,0,0,0|2,0,0]=4 982 B11R1.1 CCCOc1ccc(nn1)C c27dff73ed2f7d87764f5d3661cdeb9f [1,1,0,0,0,0|2,0,0]=4 983 B11R1.1 CCCOc1cnc(cn1)C 03ab54fe3c16961ce0c5fdc0fd5a9600 [1,1,0,0,0,0|2,0,0]=4 984 B11R1.1 CCCOc1cnc(nc1)C e8644d69cee3d5c0d3bd283f9419e98c [1,1,0,0,0,0|2,0,0]=4 985 B11R1.1 CCCOc1ncc(cn1)C beeaa7048dea8c1a1967265578580e9f [1,1,0,0,0,0|2,0,0]=4 986 B11R1.1 CCNCc1ccc(=O)[nH]c1 1254ebee348ff16c368fd1d2a91b5fef [1,1,0,0,0,0|1,0,1]=4 987 B11R1.1 CCNCc1ccc(cc1)Br 2cd51938999c20d02733c25a0b5c4804 [1,1,0,0,0,0|1,0,0]=3 988 B11R1.1 CCNCc1ccc(cc1)C 587aa1ee1f45a7f7f3762adcf6ab1e89 [1,1,0,0,0,0|0,0,0]=2 989 B11R1.1 CCNCc1ccc(cc1)Cl 521dc09ab663236062b599824b274153 [1,1,0,0,0,0|1,0,0]=3 990 B11R1.1 CCNCc1ccc(cc1)F 507a49f5c428a46a95718b00a3fd1bd9 [1,1,0,0,0,0|1,0,0]=3 991 B11R1.1 CCNCc1ccc(cc1)I cb00fc5924e1405950f010ec806d6a94 [1,1,0,0,0,0|1,0,0]=3 992 B11R1.1 CCNCc1ccc(cn1)Br 882a30c5c31be62d8df2ad05ade9700e [1,1,0,0,0,0|2,0,0]=4 993 B11R1.1 CCNCc1ccc(cn1)C ce28a7edd6e5cb339d15632619449df9 [1,1,0,0,0,0|1,0,0]=3 994 B11R1.1 CCNCc1ccc(cn1)Cl a8b3098af6f06b71ef76b0a789adb905 [1,1,0,0,0,0|2,0,0]=4 995 B11R1.1 CCNCc1ccc(cn1)F 8ce16a3c3b9cfcc722411ae28895539b [1,1,0,0,0,0|2,0,0]=4 996 B11R1.1 CCNCc1ccc(nc1)Br 459eae4b7edb145b4c74858ed5083f2a [1,1,0,0,0,0|2,0,0]=4 997 B11R1.1 CCNCc1ccc(nc1)C be9f6396d87f569ee4a97d2c73536694 [1,1,0,0,0,0|1,0,0]=3 998 B11R1.1 CCNCc1ccc(nc1)Cl e61d7305db5ae395b6483f66380e1fe0 [1,1,0,0,0,0|2,0,0]=4 999 B11R1.1 CCNCc1ccc(nc1)F bfcb52b611bb6fe9e54b00a336ddce06 [1,1,0,0,0,0|2,0,0]=4 1000 B11R1.1 CCNCc1ccc(nn1)C eb19abdb6fa5bbee3b70e5fa3639bbb5 [1,1,0,0,0,0|2,0,0]=4 1001 B11R1.1 CCNCc1cnc(cn1)C c7cd472ae379c00b6048324cd973a09b [1,1,0,0,0,0|2,0,0]=4 1002 B11R1.1 CCNCc1cnc(nc1)C a0cd4797a47b54f1a46467cdaa74ef85 [1,1,0,0,0,0|2,0,0]=4 1003 B11R1.1 CCNCc1ncc(cn1)C 21af8a6bfdc9157639ae2eb8237e5056 [1,1,0,0,0,0|2,0,0]=4 1004 B11R1.1 CCOCc1cc[n+](cc1)[O-] c821ee3885c58d89975b7f31b845487a [1,1,0,0,0,0|1,0,1]=4 1005 B11R1.1 CCOCc1ccc(cc1)Br 55e365425e5287f17bedcdf9c6cf8797 [1,1,0,0,0,0|1,0,0]=3 1006 B11R1.1 CCOCc1ccc(cc1)C 4d215a4a9529a309b910ed7006942890 [1,1,0,0,0,0|0,0,0]=2 1007 B11R1.1 CCOCc1ccc(cc1)Cl 162fb8a5396843344a75f2243153a2a9 [1,1,0,0,0,0|1,0,0]=3 1008 B11R1.1 CCOCc1ccc(cc1)F 67e386059816bee45125127b16cfcbee [1,1,0,0,0,0|1,0,0]=3 1009 B11R1.1 CCOCc1ccc(cc1)I 25d977d51d9f47d9f153070d57dca8b8 [1,1,0,0,0,0|1,0,0]=3 1010 B11R1.1 CCOCc1ccc(cc1)S 51de74da01a41ad35713330690173be6 [1,1,0,0,0,0|0,1,0]=3 1011 B11R1.1 CCOCc1ccc(cn1)Br 7fa2d6660ca0fac0c5d496c90646d302 [1,1,0,0,0,0|2,0,0]=4 1012 B11R1.1 CCOCc1ccc(cn1)C d87497b35c5f44e142aec59de5813e88 [1,1,0,0,0,0|1,0,0]=3 1013 B11R1.1 CCOCc1ccc(cn1)Cl 6991b553b81a946d1923a2d827bfdbc3 [1,1,0,0,0,0|2,0,0]=4 1014 B11R1.1 CCOCc1ccc(cn1)F c13b565598015e639c197d30e6fbe232 [1,1,0,0,0,0|2,0,0]=4 1015 B11R1.1 CCOCc1ccc(cn1)I 401d1ae041509fd6bf393ad89597efa1 [1,1,0,0,0,0|2,0,0]=4 1016 B11R1.1 CCOCc1ccc(nc1)Br 16508d9e74e22116b4378afff1fa9aa5 [1,1,0,0,0,0|2,0,0]=4 1017 B11R1.1 CCOCc1ccc(nc1)C a880cc0302e1c9d4e4d89c1a296d8d06 [1,1,0,0,0,0|1,0,0]=3 1018 B11R1.1 CCOCc1ccc(nc1)Cl 78e1cd2f782133a4dfac861a528ccf0c [1,1,0,0,0,0|2,0,0]=4 1019 B11R1.1 CCOCc1ccc(nc1)F 965c536d19c11eee65b05ccac1580358 [1,1,0,0,0,0|2,0,0]=4 1020 B11R1.1 CCOCc1ccc(nn1)C 25715347b166dc0e3fa1b4f7090bb697 [1,1,0,0,0,0|2,0,0]=4 1021 B11R1.1 CCOCc1cnc(cn1)C b885c2b2dd24eed4b75af88d0f2ca8e7 [1,1,0,0,0,0|2,0,0]=4 1022 B11R1.1 CCOCc1cnc(nc1)C 3ce2eed4e3810f8f9ccf57821d8d4e5c [1,1,0,0,0,0|2,0,0]=4 1023 B11R1.1 CCOCc1ncc(cn1)C efcb1280143d25af755f57996ed9be19 [1,1,0,0,0,0|2,0,0]=4 1024 B11R1.1 COCNc1ccc(cc1)Br 239c0132d7f14bf3bf07ff69790489a4 [1,1,0,0,0,0|2,0,0]=4 1025 B11R1.1 COCNc1ccc(cc1)C e4f246b36607f9f18bc5aa859e62100a [1,1,0,0,0,0|1,0,0]=3 1026 B11R1.1 COCNc1ccc(cc1)Cl 9367c645aa9d92ecdc3a5eedabcc13c5 [1,1,0,0,0,0|2,0,0]=4 1027 B11R1.1 COCNc1ccc(cc1)F f296a10dbbbc66104f13afdffc18051f [1,1,0,0,0,0|2,0,0]=4 1028 B11R1.1 COCNc1ccc(cc1)I 021e3c73bb722af1abf9e932759670c7 [1,1,0,0,0,0|2,0,0]=4 1029 B11R1.1 COCNc1ccc(cc1)S b5677477be0bd1f2c09ba9bfaae89e50 [1,1,0,0,0,0|1,1,0]=4 1030 B11R1.1 COCNc1ccc(cn1)C dfa9e7f1e71b67e682014a3887f5529f [1,1,0,0,0,0|2,0,0]=4 1031 B11R1.1 COCNc1ccc(nc1)C f292d8e7950b5c4d802142ace58c7355 [1,1,0,0,0,0|2,0,0]=4 1032 B11R1.1 COCOc1ccc(cc1)Br 4c7a6b8e747219dccfee467c9fcd68b9 [1,1,0,0,0,0|2,0,0]=4 1033 B11R1.1 COCOc1ccc(cc1)C 6de4302c41d46032c578a0645b570acc [1,1,0,0,0,0|1,0,0]=3 1034 B11R1.1 COCOc1ccc(cc1)Cl fdd4da30c0d821dac2a0c1ce91307d0f [1,1,0,0,0,0|2,0,0]=4 1035 B11R1.1 COCOc1ccc(cc1)F d726aa507ee8c13d395daa40b41c2957 [1,1,0,0,0,0|2,0,0]=4 1036 B11R1.1 COCOc1ccc(cc1)I df653f5f1ee1638a0aae84a7d8d68f8d [1,1,0,0,0,0|2,0,0]=4 1037 B11R1.1 COCOc1ccc(cc1)S eb0b44c1e1c77f48cae0fd09b89123bf [1,1,0,0,0,0|1,1,0]=4 1038 B11R1.1 COCOc1ccc(cn1)C 1843af41304aa6e2c88f2a0c48329c6c [1,1,0,0,0,0|2,0,0]=4 1039 B11R1.1 COCOc1ccc(nc1)C 67dbeac8ce2d0a66189b3e7d9573b367 [1,1,0,0,0,0|2,0,0]=4 1040 B11R1.1 CSCNc1ccc(cc1)Br 7d08b9f3e3f2fe34f6d8e854d51e1202 [1,1,0,0,0,0|2,0,0]=4 1041 B11R1.1 CSCNc1ccc(cc1)C 7cc547f88ae9a9501b6ce615095d8aea [1,1,0,0,0,0|1,0,0]=3 1042 B11R1.1 CSCNc1ccc(cc1)Cl bf742730b893efd050ccc2ddd2ce37af [1,1,0,0,0,0|2,0,0]=4 1043 B11R1.1 CSCNc1ccc(cc1)F 475459e06b9cf82ddf55d707b377d320 [1,1,0,0,0,0|2,0,0]=4 1044 B11R1.1 CSCNc1ccc(cc1)I 8b3c0b54c1e3dd9102ae085ef652923c [1,1,0,0,0,0|2,0,0]=4 1045 B11R1.1 CSCNc1ccc(cc1)S b2c1b0484112c3320d0a0a482bf3fabe [1,1,0,0,0,0|1,1,0]=4 1046 B11R1.1 CSCNc1ccc(cn1)C 7d8d228d08f638bf041a5d3c93910cdd [1,1,0,0,0,0|2,0,0]=4 1047 B11R1.1 CSCNc1ccc(nc1)C 3e2aaf6e003a3767539d4b7570883155 [1,1,0,0,0,0|2,0,0]=4 1048 B11R1.1 CSCOc1ccc(cc1)Br f5a0542c9ba04fa96a3d6a460de6215d [1,1,0,0,0,0|2,0,0]=4 1049 B11R1.1 CSCOc1ccc(cc1)C 35277f269b6e4bad5ee1cc6923a583fd [1,1,0,0,0,0|1,0,0]=3 1050 B11R1.1 CSCOc1ccc(cc1)Cl 818101ab26ff3d96beedc8f3f9d2fff2 [1,1,0,0,0,0|2,0,0]=4 1051 B11R1.1 CSCOc1ccc(cc1)F aa65f6b5260241febe6e598cb66d47bd [1,1,0,0,0,0|2,0,0]=4 1052 B11R1.1 CSCOc1ccc(cc1)I 0cc9619b354e201460eaff3ce7c4b6e3 [1,1,0,0,0,0|2,0,0]=4 1053 B11R1.1 CSCOc1ccc(cc1)S 5eb766d81a2c5ac1d793ebde9bbc88c4 [1,1,0,0,0,0|1,1,0]=4 1054 B11R1.1 CSCOc1ccc(cn1)C 23dab940603659dd1961d8dabf9e9d54 [1,1,0,0,0,0|2,0,0]=4 1055 B11R1.1 CSCOc1ccc(nc1)C 6f8114890842d135092685d5d6777a64 [1,1,0,0,0,0|2,0,0]=4 1056 B11R1.1 Cc1ccc(cc1)CNC#N 71ef650b7559551102b125c1e29d68e5 [1,1,0,0,0,0|1,0,1]=4 1057 B11R1.1 Cc1ccc(cc1)CNC=O f28e952319097b22b95735c4699de02f [1,1,0,0,0,0|1,0,1]=4 1058 B11R1.1 Cc1ccc(cc1)CNCF 3d235376bf58ba37ce4fc4687e7358b9 [1,1,0,0,0,0|1,0,0]=3 1059 B11R1.1 Cc1ccc(cc1)CNCO a64a75f18e5667093ebf917d1b07eefc [1,1,0,0,0,0|1,0,0]=3 1060 B11R1.1 Cc1ccc(cc1)COCF be23a3cdf78a8f91f485a087d32e2751 [1,1,0,0,0,0|1,0,0]=3 1061 B11R1.1 Cc1ccc(cc1)NCC#N 136b2c6b9bc1df5a3223827f88881879 [1,1,0,0,0,0|1,0,1]=4 1062 B11R1.1 Cc1ccc(cc1)NCC=O 4fda9751a355cee6e87b68007294a6d1 [1,1,0,0,0,0|1,0,1]=4 1063 B11R1.1 Cc1ccc(cc1)NCCF 386681a63315a2a02458b9e317339172 [1,1,0,0,0,0|1,0,0]=3 1064 B11R1.1 Cc1ccc(cc1)NCCI 021b0820ca00ee1bd1c722072e28fcea [1,1,0,0,0,0|1,0,0]=3 1065 B11R1.1 Cc1ccc(cc1)NCCO c023022501f62f6373bdd984b07a8e61 [1,1,0,0,0,0|1,0,0]=3 1066 B11R1.1 Cc1ccc(cc1)NCCS 6ed2fe969f35f3c0b0884c2a5f799763 [1,1,0,0,0,0|1,0,0]=3 1067 B11R1.1 Cc1ccc(cc1)OCC#N 86188396c995adc062c1161e026ae446 [1,1,0,0,0,0|1,0,1]=4 1068 B11R1.1 Cc1ccc(cc1)OCC=O 162ce958ced72925305b1c018b7b9598 [1,1,0,0,0,0|1,0,1]=4 1069 B11R1.1 Cc1ccc(cc1)OCCF e658fde0065759000a395a993eb3f831 [1,1,0,0,0,0|1,0,0]=3 1070 B11R1.1 Cc1ccc(cc1)OCCS 11a5d5c742743cac8e072d93bc1a4fc6 [1,1,0,0,0,0|1,0,0]=3 1071 B11R1.1 Cc1ccc(cn1)CNCF 0cc4818483a961efd54405e647f545e7 [1,1,0,0,0,0|2,0,0]=4 1072 B11R1.1 Cc1ccc(cn1)CNCO dee3af3568e11618521f283cbcaf609a [1,1,0,0,0,0|2,0,0]=4 1073 B11R1.1 Cc1ccc(cn1)COCF 7dec6859a8025db27e45799679442682 [1,1,0,0,0,0|2,0,0]=4 1074 B11R1.1 Cc1ccc(cn1)NCCF d933f2987cbd1fe8ebbdfedf33d2ede8 [1,1,0,0,0,0|2,0,0]=4 1075 B11R1.1 Cc1ccc(cn1)NCCO 30ed0c915c1452fa052e397b7ae40d59 [1,1,0,0,0,0|2,0,0]=4 1076 B11R1.1 Cc1ccc(cn1)NCCS 60b5c1d54cffd775ae68d73adff96d6b [1,1,0,0,0,0|2,0,0]=4 1077 B11R1.1 Cc1ccc(cn1)OCCF a21a4600e8af39c88fa1dd482f6c3650 [1,1,0,0,0,0|2,0,0]=4 1078 B11R1.1 Cc1ccc(cn1)OCCS cf9c5b5f5919efb5749d90e100211d1a [1,1,0,0,0,0|2,0,0]=4 1079 B11R1.1 Cc1ccc(nc1)CNCF a2ae316dbd0bb13a861c9dac3c80cf57 [1,1,0,0,0,0|2,0,0]=4 1080 B11R1.1 Cc1ccc(nc1)CNCO 8b5ed39717274fd8ed92909f510b435c [1,1,0,0,0,0|2,0,0]=4 1081 B11R1.1 Cc1ccc(nc1)COCF 8c39601fc22b07f8712ea33f68ec1dbf [1,1,0,0,0,0|2,0,0]=4 1082 B11R1.1 Cc1ccc(nc1)NCCF 06c1e16ffeb1ab85a569cd0e334ae6b2 [1,1,0,0,0,0|2,0,0]=4 1083 B11R1.1 Cc1ccc(nc1)NCCO 89539a4a1231df63bf072dde77e69a2d [1,1,0,0,0,0|2,0,0]=4 1084 B11R1.1 Cc1ccc(nc1)NCCS 69a8c11eca8289a9654e21b03bcd9530 [1,1,0,0,0,0|2,0,0]=4 1085 B11R1.1 Cc1ccc(nc1)OCCF 07dcb840a80fa7cbdd901daf4d527f50 [1,1,0,0,0,0|2,0,0]=4 1086 B11R1.1 Cc1ccc(nc1)OCCS c0e97758fad975d9872b78bd47384ac8 [1,1,0,0,0,0|2,0,0]=4 1087 B11R1.1 FCCNc1ccc(cc1)Br 795a720a4c9b19afbc5301fa123947f2 [1,1,0,0,0,0|2,0,0]=4 1088 B11R1.1 FCCNc1ccc(cc1)Cl e3d2a59ab56b1cb94b6555756f53e4df [1,1,0,0,0,0|2,0,0]=4 1089 B11R1.1 FCCNc1ccc(cc1)F 7c335ec10923f1e5e1c0a802d22815aa [1,1,0,0,0,0|2,0,0]=4 1090 B11R1.1 FCCNc1ccc(cc1)I 7a3114f1b82f1ae9c3e9d91f867c2aec [1,1,0,0,0,0|2,0,0]=4 1091 B11R1.1 FCCNc1ccc(cc1)S 4cf1191b5d4fa0438db5fb212abc0568 [1,1,0,0,0,0|1,1,0]=4 1092 B11R1.1 FCCOc1ccc(cc1)Br 44af21b9bd08ebef7a3593bbf1c00f13 [1,1,0,0,0,0|2,0,0]=4 1093 B11R1.1 FCCOc1ccc(cc1)Cl f8953730f3c70ba1c351ddf061f5adb9 [1,1,0,0,0,0|2,0,0]=4 1094 B11R1.1 FCCOc1ccc(cc1)F b8491737d875b8a9ba1853dfb7c71826 [1,1,0,0,0,0|2,0,0]=4 1095 B11R1.1 FCCOc1ccc(cc1)I b3c3da697e2c7b319e1842d4b6e652a6 [1,1,0,0,0,0|2,0,0]=4 1096 B11R1.1 FCCOc1ccc(cc1)S c0287c49d3bee2c771e7d9f8b8b1a91d [1,1,0,0,0,0|1,1,0]=4 1097 B11R1.1 FCNCc1ccc(cc1)Br b716c1dcd41bf6fd6d535897c1b8ce0c [1,1,0,0,0,0|2,0,0]=4 1098 B11R1.1 FCNCc1ccc(cc1)Cl 699409f205c611587d6f375bf5f31fce [1,1,0,0,0,0|2,0,0]=4 1099 B11R1.1 FCNCc1ccc(cc1)F 25a744931aeb914e659c9f9632eb93fc [1,1,0,0,0,0|2,0,0]=4 1100 B11R1.1 FCNCc1ccc(cc1)I d9e1151471912873877eda8a2b6050e5 [1,1,0,0,0,0|2,0,0]=4 1101 B11R1.1 FCOCc1ccc(cc1)Br 5272f40abeb8f9788218e0855efe7f99 [1,1,0,0,0,0|2,0,0]=4 1102 B11R1.1 FCOCc1ccc(cc1)Cl a424b465d05ec98f468ea1690dfb41e3 [1,1,0,0,0,0|2,0,0]=4 1103 B11R1.1 FCOCc1ccc(cc1)F 40afdc034cb36d38932d0008a2d4420f [1,1,0,0,0,0|2,0,0]=4 1104 B11R1.1 FCOCc1ccc(cc1)I 614cbd3d7d1898e18b49cf57a3be3c96 [1,1,0,0,0,0|2,0,0]=4 1105 B11R1.1 FCOCc1ccc(cc1)S caeca7060fe6aa9edb0562b9e232c2bd [1,1,0,0,0,0|1,1,0]=4 1106 B11R1.1 Fc1ccc(cc1)NCCS 96eb09cf1d4b57152e2f391fd4e4c79f [1,1,0,0,0,0|2,0,0]=4 1107 B11R1.1 Fc1ccc(cc1)OCCS c98699e8299c427f19ef74ef43ecdb98 [1,1,0,0,0,0|2,0,0]=4 1108 B11R1.1 O=CNCc1ccc(cc1)O b53af60aaa3757bc79f5fc548fffc7cb [1,1,0,0,0,0|1,0,1]=4 1109 B11R1.1 OCCNc1ccc(cc1)Br 535465584ac9d4ff57889448ec1b0af0 [1,1,0,0,0,0|2,0,0]=4 1110 B11R1.1 OCCNc1ccc(cc1)Cl 4d55580a2576d97655667590feb9394c [1,1,0,0,0,0|2,0,0]=4 1111 B11R1.1 OCCNc1ccc(cc1)F f0dccf24099a23c54c8c24ea89525ac0 [1,1,0,0,0,0|2,0,0]=4 1112 B11R1.1 OCCNc1ccc(cc1)I 9010f3f5111bb57e7ee5fcc7037cafde [1,1,0,0,0,0|2,0,0]=4 1113 B11R1.1 OCCNc1ccc(cc1)S 4de960e6b8963c27bc320732a003972b [1,1,0,0,0,0|1,1,0]=4 1114 B11R1.1 OCNCc1ccc(cc1)Br 29941d371c032fabf1b94e49679e2b91 [1,1,0,0,0,0|2,0,0]=4 1115 B11R1.1 OCNCc1ccc(cc1)Cl 66d7e1612c59e389035460da5f165c29 [1,1,0,0,0,0|2,0,0]=4 1116 B11R1.1 OCNCc1ccc(cc1)F e82a245e5fea20cb06713ef60eb282ff [1,1,0,0,0,0|2,0,0]=4 1117 B11R1.1 OCNCc1ccc(cc1)I bba7fc5edf7c0932c8de644faad89e3d [1,1,0,0,0,0|2,0,0]=4 1118 B11R1.1 SCCNc1ccc(cc1)Br 41e93a2a025b2d31a08348072d46995d [1,1,0,0,0,0|2,0,0]=4 1119 B11R1.1 SCCNc1ccc(cc1)Cl ee69b35444ec478b79ac20b53c76c74b [1,1,0,0,0,0|2,0,0]=4 1120 B11R1.1 SCCNc1ccc(cc1)I feb446bc7f74f6fc3358374bc85a5fa6 [1,1,0,0,0,0|2,0,0]=4 1121 B11R1.1 SCCNc1ccc(cc1)S 2b2c1e7e53c6fe298543f5113fe04de1 [1,1,0,0,0,0|1,1,0]=4 1122 B11R1.1 SCCOc1ccc(cc1)Br bec71d6fa1c3471b8eb02dbdf51052b8 [1,1,0,0,0,0|2,0,0]=4 1123 B11R1.1 SCCOc1ccc(cc1)Cl 4097eb53f6e8a186542d58da584632ba [1,1,0,0,0,0|2,0,0]=4 1124 B11R1.1 SCCOc1ccc(cc1)I d7cb4bc51a02120fb1493ad10574d07c [1,1,0,0,0,0|2,0,0]=4 1125 B11R1.1 SCCOc1ccc(cc1)S 82e09f61a6f4576bab72abe9784dd780 [1,1,0,0,0,0|1,1,0]=4 1126 B11R1.1 Sc1ccc(cc1)NCCBr 2fd36e3b90e35bd113cc6aa6559ccbb3 [1,1,0,0,0,0|1,1,0]=4 1127 B11R1.1 Sc1ccc(cc1)NCCI 3102b13fbfd44fa9c9c245c461b01292 [1,1,0,0,0,0|1,1,0]=4 1128 B11R1.20 CC(=O)Nc1ccc(cc1)C 060ccd1dbafbff371ab707f9c77c6f54 [1,1,0,0,0,0|1,0,1]=4 1129 B11R1.20 CC(=O)Nc1ccc(cc1)O e18f517b63a8d6b7b93bbe5e1805e49b [1,1,0,0,0,0|1,0,1]=4 1130 B11R1.20 CC(C)Nc1ccc(cc1)Br e5f70783ec71726153c102e5801f7c8a [1,1,0,0,0,0|2,0,0]=4 1131 B11R1.20 CC(C)Nc1ccc(cc1)Cl b33a847c825901d9dbcf3f8815c5869c [1,1,0,0,0,0|2,0,0]=4 1132 B11R1.20 CC(C)Nc1ccc(cc1)F 689ddbde83a9a9429aa2388668fed19a [1,1,0,0,0,0|2,0,0]=4 1133 B11R1.20 CC(C)Nc1ccc(cc1)I fa67ab606e8380aaae6be79fda5faf68 [1,1,0,0,0,0|2,0,0]=4 1134 B11R1.20 CC(C)Nc1ccc(cc1)S e681327c1f8eccf785cd674735bc98be [1,1,0,0,0,0|1,1,0]=4 1135 B11R1.20 CC(C)Oc1ccc(cc1)Br c830042d81f1762ab02a381b9eac79a4 [1,1,0,0,0,0|2,0,0]=4 1136 B11R1.20 CC(C)Oc1ccc(cc1)Cl 7f20d83f4f9b33a7fd797ee07caaf887 [1,1,0,0,0,0|2,0,0]=4 1137 B11R1.20 CC(C)Oc1ccc(cc1)F 4b3257094d99fffc8c1b5f1ead656595 [1,1,0,0,0,0|2,0,0]=4 1138 B11R1.20 CC(C)Oc1ccc(cc1)I d09c2b32d485e0c585ea84ecec015274 [1,1,0,0,0,0|2,0,0]=4 1139 B11R1.20 CC(C)Oc1ccc(cc1)S bc2b7db7696d219aecddb9042131dcc3 [1,1,0,0,0,0|1,1,0]=4 1140 B11R1.20 Cc1ccc(cc1)NC(C)C bd77af8bd7263855741bad7d9283a59e [1,1,0,0,0,0|1,0,0]=3 1141 B11R1.20 Cc1ccc(cc1)OC(C)C afaa4b057d8f12ac5846fcc0accc69e4 [1,1,0,0,0,0|1,0,0]=3 1142 B11R1.20 Cc1ccc(cn1)NC(C)C 743454483328eed9afd36a5108a5fde3 [1,1,0,0,0,0|2,0,0]=4 1143 B11R1.20 Cc1ccc(cn1)OC(C)C 587bf2eefeb78be461683015f0e1ab8b [1,1,0,0,0,0|2,0,0]=4 1144 B11R1.20 Cc1ccc(nc1)NC(C)C 2fd0646075e4e7895badb9a91550ac5c [1,1,0,0,0,0|2,0,0]=4 1145 B11R1.20 Cc1ccc(nc1)OC(C)C daaa0dc9632c23fcd00a8fbb104724aa [1,1,0,0,0,0|2,0,0]=4 1146 B11R1.22 CCN(C)c1ccc(cc1)F 37e2d475a9bd3cfcf296a94fc69fd067 [1,1,0,0,0,0|2,0,0]=4 1147 B11R1.22 CCN(C)c1ccc(cc1)I 6deef7aec400603f68eb68f0833942ec [1,1,0,0,0,0|2,0,0]=4 1148 B11R1.22 CCN(C)c1ccc(cc1)S 429f96f94511567839fe68b5edd62f1c [1,1,0,0,0,0|1,1,0]=4 1149 B11R1.22 CCN(C)c1ccc(cn1)C 09e547625bc47d07ffa7b31de636862b [1,1,0,0,0,0|2,0,0]=4 1150 B11R1.22 Cc1ccc(cc1)N(C)CF d9ca75efcf22688224e11802328b1cd1 [1,1,0,0,0,0|2,0,0]=4 1151 B11R1.22 Cc1ccc(cc1)N(C)CO 3f90488aa46443ae7ceb46a9828e79d3 [1,1,0,0,0,0|2,0,0]=4 1152 B11R1.81 CCNc1ccc(cc1Br)Cl 085dbff7cd5dde03380c75f6745c7ce0 [1,1,0,0,0,0|2,0,0]=4 1153 B11R1.81 CCNc1ccc(cc1Br)I 860500fbc84cff272d45032014213455 [1,1,0,0,0,0|2,0,0]=4 1154 B11R1.81 CCNc1ccc(cc1C)C 1134f6230446a16426e92fcd717a932d [1,1,0,0,0,0|1,0,0]=3 1155 B11R1.81 CCNc1ccc(cc1C)Cl e14db3a5474338cb5fd2d0b50080d514 [1,1,0,0,0,0|2,0,0]=4 1156 B11R1.81 CCNc1ccc(cc1C)F 28d7464159c276c848561af0325cc196 [1,1,0,0,0,0|2,0,0]=4 1157 B11R1.81 CCNc1ccc(cc1C)I bbca995ca803744d79c0752749a0642a [1,1,0,0,0,0|2,0,0]=4 1158 B11R1.81 CCNc1ccc(cc1Cl)C e23d77da07e2a8137a3d2e3224d20da6 [1,1,0,0,0,0|1,0,0]=3 1159 B11R1.81 CCNc1ccc(cc1Cl)Cl c8baee2ab2461fe8ae6a599dab41d562 [1,1,0,0,0,0|2,0,0]=4 1160 B11R1.81 CCNc1ccc(cc1Cl)F db2667778eef4501b2e2d70cebac085c [1,1,0,0,0,0|2,0,0]=4 1161 B11R1.81 CCNc1ccc(cc1Cl)I f19124d518a31c42a6bb884d83d47f84 [1,1,0,0,0,0|2,0,0]=4 1162 B11R1.81 CCNc1ccc(cc1F)Cl 40ddbfdcb7adbf24c78c9c73670f05c3 [1,1,0,0,0,0|2,0,0]=4 1163 B11R1.81 CCNc1ccc(cc1F)F 080a1eec6a52bc84c40180bab0e6e16b [1,1,0,0,0,0|2,0,0]=4 1164 B11R1.81 CCNc1ccc(cc1F)I 22587efee1e150e04170e0ea0548b2d9 [1,1,0,0,0,0|2,0,0]=4 1165 B11R1.81 CCNc1ccc(cc1F)S 44012596b5f1f4baa07d75814290262c [1,1,0,0,0,0|1,1,0]=4 1166 B11R1.81 CCNc1ccc(cc1I)Br bfb2b5b237b0baf5ced846b3df580eeb [1,1,0,0,0,0|2,0,0]=4 1167 B11R1.81 CCNc1ccc(cc1I)C adfacb28aa530efc4f605eb5cebb6869 [1,1,0,0,0,0|1,0,0]=3 1168 B11R1.81 CCNc1ccc(cc1I)Cl 623658c09a6cd818fad0c2096f7736eb [1,1,0,0,0,0|2,0,0]=4 1169 B11R1.81 CCNc1ccc(cc1I)F bc998bb48c83db660f95a562c53fe547 [1,1,0,0,0,0|2,0,0]=4 1170 B11R1.81 CCNc1ccc(cc1I)I a129e16022959f6a602b136393b73ccb [1,1,0,0,0,0|2,0,0]=4 1171 B11R1.81 CCNc1ccc(cc1S)Cl d4ce89770666057ac0c40692a764986b [1,1,0,0,0,0|2,0,0]=4 1172 B11R1.81 CCNc1ccc(cc1S)F ee9fe157f11d02d4b214092ccccd3a33 [1,1,0,0,0,0|2,0,0]=4 1173 B11R1.81 CCNc1ccc(nc1Br)C 1d8d961cc2de509694b19b3d415e9a9f [1,1,0,0,0,0|2,0,0]=4 1174 B11R1.81 CCNc1ccc(nc1C)C ebccc56cb33029ad8b72b7c41a189c49 [1,1,0,0,0,0|2,0,0]=4 1175 B11R1.81 CCNc1ccc(nc1Cl)C 718901c33f68768c5d4582702125582d [1,1,0,0,0,0|2,0,0]=4 1176 B11R1.81 CCNc1ccc(nc1F)C d5d927494ffaac4ef531c5bb000ec90f [1,1,0,0,0,0|2,0,0]=4 1177 B11R1.81 CCNc1ccc(nc1I)C 4401277d32134d418affa352bc8a59af [1,1,0,0,0,0|2,0,0]=4 1178 B11R1.81 CCNc1cnc(cc1Br)C cbdff49d00438d6aa23fc0848e8c20ad [1,1,0,0,0,0|2,0,0]=4 1179 B11R1.81 CCNc1cnc(cc1C)C 6a98f0de5636599d0030e1bddb61e9d7 [1,1,0,0,0,0|2,0,0]=4 1180 B11R1.81 CCNc1cnc(cc1Cl)C 486baa902031d910ac07c06db3973e5d [1,1,0,0,0,0|2,0,0]=4 1181 B11R1.81 CCNc1ncc(cc1Br)C 5d557defa48c258f255d88e2739a6239 [1,1,0,0,0,0|2,0,0]=4 1182 B11R1.81 CCNc1ncc(cc1C)C 5b43a4e6fec20b1f2bca7ab6895078ea [1,1,0,0,0,0|2,0,0]=4 1183 B11R1.81 CCNc1ncc(cc1Cl)C 8a6b6ebab65d0c89177b1662fc18eec2 [1,1,0,0,0,0|2,0,0]=4 1184 B11R1.81 CCNc1ncc(cc1F)C cb4d0a922a4a0e58a9ab0b1ba143bb9e [1,1,0,0,0,0|2,0,0]=4 1185 B11R1.81 CCNc1ncc(cc1I)C 1316574ddbe936d1758f6304d48dc972 [1,1,0,0,0,0|2,0,0]=4 1186 B11R1.81 CCOc1ccc(cc1Br)Br b5f1f4f057b400fea178c8b80d63744b [1,1,0,0,0,0|2,0,0]=4 1187 B11R1.81 CCOc1ccc(cc1Br)C e7ccd7af3f74744da87bd7f5b9d22e71 [1,1,0,0,0,0|1,0,0]=3 1188 B11R1.81 CCOc1ccc(cc1Br)Cl 12ea3269f12872d201204042dac48d7b [1,1,0,0,0,0|2,0,0]=4 1189 B11R1.81 CCOc1ccc(cc1Br)F f5b07176b310ab145596ceeb03df6e83 [1,1,0,0,0,0|2,0,0]=4 1190 B11R1.81 CCOc1ccc(cc1Br)I 4e09711db94d7578f27c2e0049da0d53 [1,1,0,0,0,0|2,0,0]=4 1191 B11R1.81 CCOc1ccc(cc1C)Br 83070f2d180d2b3fc63a053a41c18e68 [1,1,0,0,0,0|2,0,0]=4 1192 B11R1.81 CCOc1ccc(cc1C)C 4338032903823c785796038cd9b5a0b7 [1,1,0,0,0,0|1,0,0]=3 1193 B11R1.81 CCOc1ccc(cc1C)Cl 4f4a17252dfaa86ab59145a256551f7c [1,1,0,0,0,0|2,0,0]=4 1194 B11R1.81 CCOc1ccc(cc1C)F 9ae876fb4794c65d86eeaaafa5ba0f45 [1,1,0,0,0,0|2,0,0]=4 1195 B11R1.81 CCOc1ccc(cc1C)I b486eff82a8bfe9637a52eb2a3c758d0 [1,1,0,0,0,0|2,0,0]=4 1196 B11R1.81 CCOc1ccc(cc1C)S 56625e5877574807473dbe64d25a277c [1,1,0,0,0,0|1,1,0]=4 1197 B11R1.81 CCOc1ccc(cc1Cl)Br f1d3ed2549c10f2d04003e0267862af7 [1,1,0,0,0,0|2,0,0]=4 1198 B11R1.81 CCOc1ccc(cc1Cl)C 2977a84256335c386d4d42c0799a0842 [1,1,0,0,0,0|1,0,0]=3 1199 B11R1.81 CCOc1ccc(cc1Cl)Cl 78d9fdbc38357719d773a6f71ac064ef [1,1,0,0,0,0|2,0,0]=4 1200 B11R1.81 CCOc1ccc(cc1Cl)F a90318cdcae69939ef0e9178b7323ad3 [1,1,0,0,0,0|2,0,0]=4 1201 B11R1.81 CCOc1ccc(cc1Cl)I c6da279cd85a359d2d7a699e4cb08141 [1,1,0,0,0,0|2,0,0]=4 1202 B11R1.81 CCOc1ccc(cc1F)Br 361e6eeece0af854d674cea8e2cbe625 [1,1,0,0,0,0|2,0,0]=4 1203 B11R1.81 CCOc1ccc(cc1F)C 38277d17c3c8b92f0596de46426a38aa [1,1,0,0,0,0|1,0,0]=3 1204 B11R1.81 CCOc1ccc(cc1F)Cl 9be85ce0b5890e7306096d9392a79264 [1,1,0,0,0,0|2,0,0]=4 1205 B11R1.81 CCOc1ccc(cc1F)F b68e4a7082518eb67e2ae1d5fc228aa3 [1,1,0,0,0,0|2,0,0]=4 1206 B11R1.81 CCOc1ccc(cc1F)I c45d6891a41d440b3d030e0c4b2fb578 [1,1,0,0,0,0|2,0,0]=4 1207 B11R1.81 CCOc1ccc(cc1I)Br dabf77e2ea9aa344cee8b98370240bd4 [1,1,0,0,0,0|2,0,0]=4 1208 B11R1.81 CCOc1ccc(cc1I)C 72dc48a49c68837768e7d9f295b6eddb [1,1,0,0,0,0|1,0,0]=3 1209 B11R1.81 CCOc1ccc(cc1I)Cl 861b430b7fd16ac6ddf82ea581077374 [1,1,0,0,0,0|2,0,0]=4 1210 B11R1.81 CCOc1ccc(cc1I)F 4e4953a9825b486fe7916f58c413f53f [1,1,0,0,0,0|2,0,0]=4 1211 B11R1.81 CCOc1ccc(cc1I)I 7f5884104ba07b7faf22644d70785737 [1,1,0,0,0,0|2,0,0]=4 1212 B11R1.81 CCOc1ccc(nc1Br)C 4f44e9f8885de8a5caead141fe0253a8 [1,1,0,0,0,0|2,0,0]=4 1213 B11R1.81 CCOc1ccc(nc1C)C 3827b993dd4abaadd026b657cf3475d8 [1,1,0,0,0,0|2,0,0]=4 1214 B11R1.81 CCOc1ccc(nc1Cl)C d32c2c15aa23685773f3f71f48df74d3 [1,1,0,0,0,0|2,0,0]=4 1215 B11R1.81 CCOc1ccc(nc1F)C adba7e8c52267ed7ea9a9e2d1f7fc357 [1,1,0,0,0,0|2,0,0]=4 1216 B11R1.81 CCOc1ccc(nc1I)C 3848caf5952dca924c17ee9d5eeec6e3 [1,1,0,0,0,0|2,0,0]=4 1217 B11R1.81 CCOc1cnc(cc1Br)C 94a516811dccbd87b6b12ac88432a10b [1,1,0,0,0,0|2,0,0]=4 1218 B11R1.81 CCOc1cnc(cc1C)C 9370eb3f139fc02f88e9e2e86986337a [1,1,0,0,0,0|2,0,0]=4 1219 B11R1.81 CCOc1coc(cc1=O)C dc53df87ccaa9fd9f8bf4cc975bd1b7f [1,1,0,0,0,0|2,0,0]=4 1220 B11R1.81 CCOc1ncc(cc1Br)C f667c107e186e0e5e305fe90c9f97b3a [1,1,0,0,0,0|2,0,0]=4 1221 B11R1.81 CCOc1ncc(cc1I)C a24a2bad4cfcc807552043440d2f300e [1,1,0,0,0,0|2,0,0]=4 1222 B11R1.81 CCOn1ccc(cc1=S)C 77c15588668d4a2142fcd322d7478eba [1,1,0,0,0,0|2,0,0]=4 1223 B11R1.81 Cc1ccc(c(c1)C)OCF 5329ed85d6d70b2e0cb66c67e1001a94 [1,1,0,0,0,0|2,0,0]=4 1224 B11R1.81 Cc1ccc(c(c1)Cl)NCF 95d5b4b4cee01609c92fe78fab8e4a48 [1,1,0,0,0,0|2,0,0]=4 1225 B11R1.81 Cc1ccc(c(c1)Cl)NCO 60076a7bfe702e67284a1bc5ab93cdd7 [1,1,0,0,0,0|2,0,0]=4 1226 B11R1.81 Cc1ccc(c(c1)Cl)OCF feedc2f0a0e64e00bb5c8de0f0a53c3e [1,1,0,0,0,0|2,0,0]=4 1227 B11R1.81 Cc1ccc(c(c1)F)OCF 0e0e7010c5409eb503b2d1e625d437d0 [1,1,0,0,0,0|2,0,0]=4 1228 B11R1.81 Cc1ccc(c(c1)I)NCF 8f79871f72eb9929388401fffb398b38 [1,1,0,0,0,0|2,0,0]=4 1229 B11R1.81 Cc1ccc(c(c1)I)NCO 8a3217edbaa11f31db2367d6014ea4c5 [1,1,0,0,0,0|2,0,0]=4 1230 B11R1.81 Cc1ccc(c(c1)I)OCF d772edcaffdb43a6a81358d2f818d058 [1,1,0,0,0,0|2,0,0]=4 1231 B11R1.192 CCNc1cc(c(cn1)C)Br aa629d4591f39163c65afabeb81c148c [1,1,0,0,0,0|2,0,0]=4 1232 B11R1.192 CCNc1cc(c(cn1)C)C 01341bea21dd30cb778a79dbbcf77be0 [1,1,0,0,0,0|2,0,0]=4 1233 B11R1.192 CCNc1cc(c(cn1)C)Cl 3408b2eb56bd907e29a4c4ffdba87f1a [1,1,0,0,0,0|2,0,0]=4 1234 B11R1.192 CCNc1cc(c(cn1)C)F eda3c79049f9b32d66bd04320875acd2 [1,1,0,0,0,0|2,0,0]=4 1235 B11R1.192 CCNc1cc(c(cn1)C)I d5163033c152e19d3be7559fef7e94a0 [1,1,0,0,0,0|2,0,0]=4 1236 B11R1.192 CCNc1ccc(c(c1)Br)Br 72456032efc0d32e66037df98968c223 [1,1,0,0,0,0|2,0,0]=4 1237 B11R1.192 CCNc1ccc(c(c1)Br)C 46f020b9f443967791e4d4e3b6811b10 [1,1,0,0,0,0|1,0,0]=3 1238 B11R1.192 CCNc1ccc(c(c1)Br)Cl 7c2ebe6ea2522dea6052b9a68d52fadd [1,1,0,0,0,0|2,0,0]=4 1239 B11R1.192 CCNc1ccc(c(c1)Br)F 4df2a98191cfea48570fbeb31eb28c02 [1,1,0,0,0,0|2,0,0]=4 1240 B11R1.192 CCNc1ccc(c(c1)Br)I 836683173dd3e4e941d215199be46fd9 [1,1,0,0,0,0|2,0,0]=4 1241 B11R1.192 CCNc1ccc(c(c1)C)Br 34e367ff2658641706b751fd2a13c42d [1,1,0,0,0,0|2,0,0]=4 1242 B11R1.192 CCNc1ccc(c(c1)C)C 3fb568587caaa0b0267d87bef3b47183 [1,1,0,0,0,0|1,0,0]=3 1243 B11R1.192 CCNc1ccc(c(c1)C)Cl b8bb5625974ad97d2e15d1b721cd8f17 [1,1,0,0,0,0|2,0,0]=4 1244 B11R1.192 CCNc1ccc(c(c1)C)F 16178fd526caac7c2f9a350ba5dec854 [1,1,0,0,0,0|2,0,0]=4 1245 B11R1.192 CCNc1ccc(c(c1)C)I ac0a148d35afaa49328f22b64688ab4e [1,1,0,0,0,0|2,0,0]=4 1246 B11R1.192 CCNc1ccc(c(c1)Cl)Br fd862837c747dbf25081d1709c867080 [1,1,0,0,0,0|2,0,0]=4 1247 B11R1.192 CCNc1ccc(c(c1)Cl)C ee6e4be110ccf7cc057e19f377296bf2 [1,1,0,0,0,0|1,0,0]=3 1248 B11R1.192 CCNc1ccc(c(c1)Cl)Cl 4033b0b1d4002562620db2d31900c572 [1,1,0,0,0,0|2,0,0]=4 1249 B11R1.192 CCNc1ccc(c(c1)Cl)F 0c58472109f2d99da6d9d2537808ba72 [1,1,0,0,0,0|2,0,0]=4 1250 B11R1.192 CCNc1ccc(c(c1)Cl)I 0b4edea5e7f89b4adf910801e231afa9 [1,1,0,0,0,0|2,0,0]=4 1251 B11R1.192 CCNc1ccc(c(c1)F)C 1df6266247927110b7e3033259fa4529 [1,1,0,0,0,0|1,0,0]=3 1252 B11R1.192 CCNc1ccc(c(c1)F)Cl a7465f4dea341d5020f1c41c66372d0c [1,1,0,0,0,0|2,0,0]=4 1253 B11R1.192 CCNc1ccc(c(c1)F)F 9ad1e2488e63386f5bfd81ab07176300 [1,1,0,0,0,0|2,0,0]=4 1254 B11R1.192 CCNc1ccc(c(c1)F)I ae3d1fbdfc5cd517c740e52dbdd7f49b [1,1,0,0,0,0|2,0,0]=4 1255 B11R1.192 CCNc1ccc(c(c1)I)Br 8490d6e8347c6a99bb73a96e0e8dafcd [1,1,0,0,0,0|2,0,0]=4 1256 B11R1.192 CCNc1ccc(c(c1)I)C 22d40788d833c523420b6ab571e7e703 [1,1,0,0,0,0|1,0,0]=3 1257 B11R1.192 CCNc1ccc(c(c1)I)Cl e62bdce281a4f849aebfeea136e2a74a [1,1,0,0,0,0|2,0,0]=4 1258 B11R1.192 CCNc1ccc(c(c1)I)F bcf3a8b7aea3e2ab38c0f714bcf84dc8 [1,1,0,0,0,0|2,0,0]=4 1259 B11R1.192 CCNc1ccc(c(n1)Br)C 78bc2020a3702e479917df86d63b3a49 [1,1,0,0,0,0|2,0,0]=4 1260 B11R1.192 CCNc1ccc(c(n1)C)C 8646b3de16d3df06bdd2b736a8d39ea0 [1,1,0,0,0,0|2,0,0]=4 1261 B11R1.192 CCNc1ccc(c(n1)Cl)C 563de177154dc6955176bb264d73be00 [1,1,0,0,0,0|2,0,0]=4 1262 B11R1.192 CCNc1ccc(c(n1)F)C 3d1be83369c195c518c4e8836d94f319 [1,1,0,0,0,0|2,0,0]=4 1263 B11R1.192 CCNc1ccn(c(=O)c1)C 38cf7feb672442dd8a984f3b8d738dd5 [1,1,0,0,0,0|2,0,0]=4 1264 B11R1.192 CCNc1cnc(c(c1)Br)C 8af6c5bc1a18f3e195d47e5375f34d79 [1,1,0,0,0,0|2,0,0]=4 1265 B11R1.192 CCNc1cnc(c(c1)C)C f7a4b6adf4256f70b4929b522b2c18bf [1,1,0,0,0,0|2,0,0]=4 1266 B11R1.192 CCNc1cnc(c(c1)Cl)C c09f21e7f66ca1614684b52cf759f07f [1,1,0,0,0,0|2,0,0]=4 1267 B11R1.192 CCNc1cnc(c(c1)F)C 87bdd08c98d2e77deb66ac7300bbba98 [1,1,0,0,0,0|2,0,0]=4 1268 B11R1.192 CCOc1cc(c(cn1)C)Br 53c69b1e54f933827762e8639152a537 [1,1,0,0,0,0|2,0,0]=4 1269 B11R1.192 CCOc1cc(c(cn1)C)C f55cd6d8444413ac5c699fa79eca287b [1,1,0,0,0,0|2,0,0]=4 1270 B11R1.192 CCOc1cc(c(cn1)C)I 8bfc954e96fa3266f3fc8453142903bb [1,1,0,0,0,0|2,0,0]=4 1271 B11R1.192 CCOc1ccc(c(c1)Br)C c3fa0783af9069842b29e34011d9eedf [1,1,0,0,0,0|1,0,0]=3 1272 B11R1.192 CCOc1ccc(c(c1)Br)Cl 4f0ed120a1ee615029f12cbea4548666 [1,1,0,0,0,0|2,0,0]=4 1273 B11R1.192 CCOc1ccc(c(c1)Br)F 8317d8ea93a771cf8540cce81252fc34 [1,1,0,0,0,0|2,0,0]=4 1274 B11R1.192 CCOc1ccc(c(c1)Br)I 3638452f604979a63bdbbb3f47c7bce6 [1,1,0,0,0,0|2,0,0]=4 1275 B11R1.192 CCOc1ccc(c(c1)C)Br 2f8760d774c221ba0b75202a149df4a7 [1,1,0,0,0,0|2,0,0]=4 1276 B11R1.192 CCOc1ccc(c(c1)C)C 7c13671d5cf41e9521a3f6c1c086f138 [1,1,0,0,0,0|1,0,0]=3 1277 B11R1.192 CCOc1ccc(c(c1)C)Cl 7346f6124d85dbd041e5b5350d182eea [1,1,0,0,0,0|2,0,0]=4 1278 B11R1.192 CCOc1ccc(c(c1)C)F 6cd22ed088f5f11a14ea789326e0325e [1,1,0,0,0,0|2,0,0]=4 1279 B11R1.192 CCOc1ccc(c(c1)C)I a03a60fe749aeffceb2c403c998cb192 [1,1,0,0,0,0|2,0,0]=4 1280 B11R1.192 CCOc1ccc(c(c1)Cl)Br c809194834464760f77edc97f5de3566 [1,1,0,0,0,0|2,0,0]=4 1281 B11R1.192 CCOc1ccc(c(c1)Cl)C b9c6c330e241f9f510a1f16392209827 [1,1,0,0,0,0|1,0,0]=3 1282 B11R1.192 CCOc1ccc(c(c1)Cl)Cl 2798272357dad9b212e6d8b7d4379471 [1,1,0,0,0,0|2,0,0]=4 1283 B11R1.192 CCOc1ccc(c(c1)Cl)F 13b1e52752cbecc6dcaae6e7ab50e34b [1,1,0,0,0,0|2,0,0]=4 1284 B11R1.192 CCOc1ccc(c(c1)Cl)I fe8fc6e558656d33644e2803f8575fc7 [1,1,0,0,0,0|2,0,0]=4 1285 B11R1.192 CCOc1ccc(c(c1)F)Br 018c0efa52a1229f5067ca1a49239d76 [1,1,0,0,0,0|2,0,0]=4 1286 B11R1.192 CCOc1ccc(c(c1)F)C 129ed8ddceee4b9535caa3063c04873c [1,1,0,0,0,0|1,0,0]=3 1287 B11R1.192 CCOc1ccc(c(c1)F)Cl 8d00421ccb733d77332174a0dd4ef20b [1,1,0,0,0,0|2,0,0]=4 1288 B11R1.192 CCOc1ccc(c(c1)F)F 61c3c27deb4a70da8e4ccbb37f501a6a [1,1,0,0,0,0|2,0,0]=4 1289 B11R1.192 CCOc1ccc(c(c1)F)I 3a13a2aea8562ef037eb2187d189e311 [1,1,0,0,0,0|2,0,0]=4 1290 B11R1.192 CCOc1ccc(c(c1)I)Br 47389b67a67965e45a09650518635b0a [1,1,0,0,0,0|2,0,0]=4 1291 B11R1.192 CCOc1ccc(c(c1)I)C 5a5d331dbfa5df8a5cc3e002f1549f7c [1,1,0,0,0,0|1,0,0]=3 1292 B11R1.192 CCOc1ccc(c(c1)I)Cl f89058fe7b979c7def89cf4fa173aa78 [1,1,0,0,0,0|2,0,0]=4 1293 B11R1.192 CCOc1ccc(c(c1)I)F 761d3a707ffa85c5b5b8f5c4680e6ec2 [1,1,0,0,0,0|2,0,0]=4 1294 B11R1.192 CCOc1ccc(c(n1)Br)C ee46fdb22ca05f77bda129b98d8aa87c [1,1,0,0,0,0|2,0,0]=4 1295 B11R1.192 CCOc1ccn(c(=O)c1)C 7d4c160ec0295488e56c1f9e07a7b39b [1,1,0,0,0,0|2,0,0]=4 1296 B11R1.192 CCOc1cnc(c(c1)Br)C bdeeb53266cb9067d7388c05b75eb8c8 [1,1,0,0,0,0|2,0,0]=4 1297 B11R1.192 CCOc1cnc(c(c1)C)C 181308c61f575200101837b135b78ce6 [1,1,0,0,0,0|2,0,0]=4 1298 B11R1.192 CCOc1cnc(c(c1)Cl)C 05c271a3eb707a005b0fff228b8a3604 [1,1,0,0,0,0|2,0,0]=4 1299 B11R1.192 Cc1ccc(cc1Br)NCF 23b2ed90f997fe158ad8db249f2eb9e7 [1,1,0,0,0,0|2,0,0]=4 1300 B11R1.192 Cc1ccc(cc1Br)NCO bba4e405c78a93d3e1cd0bbde12b2216 [1,1,0,0,0,0|2,0,0]=4 1301 B11R1.192 Cc1ccc(cc1Br)OCF c5d1d06e767ad00e4abf57bd0e190090 [1,1,0,0,0,0|2,0,0]=4 1302 B11R1.192 Cc1ccc(cc1C)NCF 6ee6dc38dd93ffb0209d1bd6d0ab0d2d [1,1,0,0,0,0|2,0,0]=4 1303 B11R1.192 Cc1ccc(cc1C)NCO c242b1ff270b580de613ef816d17a58e [1,1,0,0,0,0|2,0,0]=4 1304 B11R1.192 Cc1ccc(cc1C)OCF ee1f69fdab5d44bf2b0982521e0bf5a5 [1,1,0,0,0,0|2,0,0]=4 1305 B11R1.192 Cc1ccc(cc1Cl)NCF 08f296a03cea54dbaee3772b8c7054e4 [1,1,0,0,0,0|2,0,0]=4 1306 B11R1.192 Cc1ccc(cc1Cl)NCO 9ac252e2569c4b4bee36a91c5c050eb4 [1,1,0,0,0,0|2,0,0]=4 1307 B11R1.192 Cc1ccc(cc1Cl)OCF f9e4c182b29f2c6bc7b0c123ab3402de [1,1,0,0,0,0|2,0,0]=4 1308 B11R1.192 Cc1ccc(cc1F)NCF 0cbc22cd8ed07d9347e938ce1a0acb3c [1,1,0,0,0,0|2,0,0]=4 1309 B11R1.192 Cc1ccc(cc1F)NCO 1ddab2d7bb3940d0c5f171485f66ab88 [1,1,0,0,0,0|2,0,0]=4 1310 B11R1.192 Cc1ccc(cc1F)OCF 3c15af622ffb6507f2d5c144b91e4053 [1,1,0,0,0,0|2,0,0]=4 1311 B11R1.192 Cc1ccc(cc1I)NCF 7419a38858012e06523cbfa1c89bb024 [1,1,0,0,0,0|2,0,0]=4 1312 B11R1.192 Cc1ccc(cc1I)NCO 2f287974a6a3059f05704d33b18da5b3 [1,1,0,0,0,0|2,0,0]=4 1313 B11R1.192 Cc1ccc(cc1I)OCF b4951cea89d09c03399ed8c3ba816946 [1,1,0,0,0,0|2,0,0]=4 1314 B11R1.127 CCCn1cc(cn1)OCC e88941dc23e2d54c67bf576251d34bbd [0,1,0,0,1,0|2,0,0]=4 1315 B11R1.127 CCCn1cc(cn1)OCF 123182e621d6bba78ff6c587cfd3bfbf [0,1,0,0,1,0|2,0,0]=4 1316 B11R1.214 CCCNc1cc([nH]n1)OC 9ca4396fbea934e6ec2d730e79426ae0 [0,1,0,0,1,0|2,0,0]=4 1317 B11R1.214 CCCNc1cc(no1)OC 2d76e62207159a2c2a73cd9d09dea2c2 [0,1,0,0,1,0|2,0,0]=4 1318 B11R1.214 CCCNc1cc(on1)OC fdc6e616f037406e7ea1475ac378359e [0,1,0,0,1,0|2,0,0]=4 1319 B11R1.214 CCCNc1ccc(o1)CC 51c523788368b91b8e7440219e045eaa [0,1,0,0,1,0|2,0,0]=4 1320 B11R1.214 CCCNc1ccc(s1)CC 7224eaa42823130c189f46907d37ca1e [0,1,0,0,1,0|2,0,0]=4 1321 B11R1.214 CCCNc1ccc(s1)SC 4e718ffecbb49ed8771a1ecc3552b338 [0,1,0,0,1,0|1,1,0]=4 1322 B11R1.214 CCCNc1cnc(s1)OC d0d815d033c5be3e146f771327546821 [0,1,0,0,1,0|2,0,0]=4 1323 B11R1.214 CCCNc1ncc(s1)OC 9203633739d10935ea75c33c9a0cdd95 [0,1,0,0,1,0|2,0,0]=4 1324 B11R1.214 CCOCc1cc(no1)OC 1ae19f94a4b5e0bb0fb9ab279296305a [0,1,0,0,1,0|2,0,0]=4 1325 B11R1.214 CCOCc1ccc(s1)CC 1f5149ab9d63eb9b8974f7b324abacc0 [0,1,0,0,1,0|2,0,0]=4 1326 B11R1.214 CCOCc1cnc(o1)OC 1e14505ce106cd399a54295332ca8899 [0,1,0,0,1,0|2,0,0]=4 1327 B11R1.214 CCOCc1cnc(s1)OC 8808dc3ddc770ed8505b37a939e8367c [0,1,0,0,1,0|2,0,0]=4 1328 B11R1.214 CCOCc1coc(n1)OC 62623ea43ea0fa12de9a0decb26c1397 [0,1,0,0,1,0|2,0,0]=4 1329 B13R1.4 COc1ccc(nc1)NC(C)(C)C 863cf8caaeace8c13345b73a3702a6fb [0,2,0,0,0,0|2,0,0]=4 1330 B13R1.5 C#CC(C)Nc1ccc(cn1)OC 21947f8374fb58c4b2ceb88636e7858d [0,2,0,0,0,0|2,0,0]=4 1331 B13R1.5 C#CC(C)Oc1ccc(cc1)OC dc07d893bb0ed4f2c1d929642fd24745 [0,2,0,0,0,0|1,0,0]=3 1332 B13R1.5 C#CC(C)Oc1ccc(cn1)OC 4c5d8656c2fa8f72eb78c848c29d3c08 [0,2,0,0,0,0|2,0,0]=4 1333 B13R1.5 C#Cc1ccc(cc1)CN(C)CC 281fce3b6e2325895c95c62f08ae2693 [0,2,0,0,0,0|1,0,1]=4 1334 B13R1.5 C#Cc1ccc(cc1)NC(C)CC 5c24ef33c8e355d551e502ec1b84ce42 [0,2,0,0,0,0|1,0,1]=4 1335 B13R1.5 C#Cc1ccc(cc1)OC(C)CC 14b48582d680031a171adfbead381ea4 [0,2,0,0,0,0|1,0,1]=4 1336 B13R1.5 C=CC(C)Nc1ccc(cc1)CC 6d7d8ba30a583101f8169cb81608e3a2 [0,2,0,0,0,0|2,0,0]=4 1337 B13R1.5 C=CC(C)Nc1ccc(cc1)OC 49f2eea7ce2c217d5c6ffbcf2d2a1f26 [0,2,0,0,0,0|1,0,0]=3 1338 B13R1.5 C=CC(C)Nc1ccc(cc1)SC 30af08c1a37078d2dcbade8d8de7ff8f [0,2,0,0,0,0|1,1,0]=4 1339 B13R1.5 C=CC(C)Nc1ccc(cn1)OC c693d1246c0288f435c01b2e8db92311 [0,2,0,0,0,0|2,0,0]=4 1340 B13R1.5 C=CC(C)Nc1ccc(nc1)OC c60e3c26868ff09690ae5d6ab7f7e1f1 [0,2,0,0,0,0|2,0,0]=4 1341 B13R1.5 C=CC(C)Oc1ccc(cc1)CC fc929d87e6e5e1d4c291970f060f7230 [0,2,0,0,0,0|2,0,0]=4 1342 B13R1.5 C=CC(C)Oc1ccc(cc1)OC fc7381e091bba7dcdd9da58b3bea7612 [0,2,0,0,0,0|1,0,0]=3 1343 B13R1.5 C=CC(C)Oc1ccc(cc1)SC 23a3ff2652c2d97441d4a070331289aa [0,2,0,0,0,0|1,1,0]=4 1344 B13R1.5 C=CC(C)Oc1ccc(cn1)OC 3284f2c0f58e954aad8db76e08fb2d01 [0,2,0,0,0,0|2,0,0]=4 1345 B13R1.5 C=CC(C)Oc1ccc(nc1)OC 13fd16ced656542400fd51cd79881877 [0,2,0,0,0,0|2,0,0]=4 1346 B13R1.5 C=Cc1ccc(cc1)CN(C)CC 69ee1034f84ef463682ca69c64a0c21f [0,2,0,0,0,0|1,0,1]=4 1347 B13R1.5 C=Cc1ccc(cc1)NC(C)CC 873cf530b192fab4da49ec489fbb8887 [0,2,0,0,0,0|1,0,1]=4 1348 B13R1.5 C=Cc1ccc(cc1)OC(C)CC f5ff78283d509e8ce073265314ba808d [0,2,0,0,0,0|1,0,1]=4 1349 B13R1.5 CCC(=O)Nc1ccc(cc1)CC 7f9b914860a5ff3968189a9bcf123c14 [0,2,0,0,0,0|1,0,1]=4 1350 B13R1.5 CCC(=O)Nc1ccc(cn1)OC 07fa037c39e1808587b019170f98741a [0,2,0,0,0,0|1,0,1]=4 1351 B13R1.5 CCC(C)Nc1ccc(cc1)C#N 09fc061e30f83ff7805c0982f2479c3e [0,2,0,0,0,0|2,0,0]=4 1352 B13R1.5 CCC(C)Nc1ccc(cc1)C=O 226240af2ce81a2234a3b8a4616be3b7 [0,2,0,0,0,0|2,0,0]=4 1353 B13R1.5 CCC(C)Nc1ccc(cc1)CO 4a04cd283f0364b557f1330241eccb1b [0,2,0,0,0,0|2,0,0]=4 1354 B13R1.5 CCC(C)Nc1ccc(cc1)OC b5d98817a86b0be68e32cf6e86012842 [0,2,0,0,0,0|0,0,0]=2 1355 B13R1.5 CCC(C)Nc1ccc(cc1)SC fad0774d8a7c12cdcec403821aa35328 [0,2,0,0,0,0|0,1,0]=3 1356 B13R1.5 CCC(C)Nc1ccc(cn1)OC afccebdc294d02c6eb8e630a9c3e83c0 [0,2,0,0,0,0|1,0,0]=3 1357 B13R1.5 CCC(C)Nc1ccc(nc1)OC 10415a2f59b45f5b0f110f640d018c23 [0,2,0,0,0,0|1,0,0]=3 1358 B13R1.5 CCC(C)Nc1ccc(nc1)SC 309be48ededdb11d2984d93c91a28836 [0,2,0,0,0,0|1,1,0]=4 1359 B13R1.5 CCC(C)Nc1ccc(nn1)OC 80068708bf8436f0442a4e9aa772974f [0,2,0,0,0,0|2,0,0]=4 1360 B13R1.5 CCC(C)Nc1cnc(cn1)OC 21503d4ccd8f8188a67c8eead9352204 [0,2,0,0,0,0|2,0,0]=4 1361 B13R1.5 CCC(C)Nc1cnc(nc1)OC c673214c53daf6991d8d5f404aec3f64 [0,2,0,0,0,0|2,0,0]=4 1362 B13R1.5 CCC(C)Nc1ncc(cn1)OC 95e9406c920180f866fbcbf308ded6a8 [0,2,0,0,0,0|2,0,0]=4 1363 B13R1.5 CCC(C)Oc1ccc(cc1)C#N b23a03b1a2e0dc934d4a7092f5c784a9 [0,2,0,0,0,0|2,0,0]=4 1364 B13R1.5 CCC(C)Oc1ccc(cc1)C=O 191b68222f6d37ec4cc42afbf6a3564f [0,2,0,0,0,0|2,0,0]=4 1365 B13R1.5 CCC(C)Oc1ccc(cc1)N=O b26fd91d5d270fc2d8192742d5f35dc1 [0,2,0,0,0,0|2,0,0]=4 1366 B13R1.5 CCC(C)Oc1ccc(cc1)OC ddec374cfdc0d6c49a2b118bfc4d8f4d [0,2,0,0,0,0|0,0,0]=2 1367 B13R1.5 CCC(C)Oc1ccc(cc1)SC 7f1d88515aab08452fa973160753ceb2 [0,2,0,0,0,0|0,1,0]=3 1368 B13R1.5 CCC(C)Oc1ccc(cn1)OC 215d78f8ee3ab142549928a8cebc53cb [0,2,0,0,0,0|1,0,0]=3 1369 B13R1.5 CCC(C)Oc1ccc(nc1)OC df7875dd7501296d7213d82718d883ff [0,2,0,0,0,0|1,0,0]=3 1370 B13R1.5 CCC(C)Oc1ccc(nc1)SC d5f3b18d0f52ae2530ce1a15b3247a0d [0,2,0,0,0,0|1,1,0]=4 1371 B13R1.5 CCC(C)Oc1cnc(nc1)OC 8ea8e6a4f316a5d33bd777aa15554904 [0,2,0,0,0,0|2,0,0]=4 1372 B13R1.5 CCN(C)Cc1ccc(cc1)C#N 40537d7e0e99fe73e1d5f94de20754dd [0,2,0,0,0,0|2,0,0]=4 1373 B13R1.5 CCN(C)Cc1ccc(cc1)C=O 8cd8e6103ee4739510b45c52e635fb76 [0,2,0,0,0,0|2,0,0]=4 1374 B13R1.5 CCN(C)Cc1ccc(cc1)CO 3b74dffb5348c97d6f1f991464df8b3d [0,2,0,0,0,0|2,0,0]=4 1375 B13R1.5 CCN(C)Cc1ccc(cc1)OC ed4cb1b93fc1533918604806570ccdd5 [0,2,0,0,0,0|0,0,0]=2 1376 B13R1.5 CCN(C)Cc1ccc(cc1)SC 2a8f00c34bbe41d5c8811569c7dac8d7 [0,2,0,0,0,0|0,1,0]=3 1377 B13R1.5 CCN(C)Cc1ccc(cn1)OC bc955f7aeca90108c0057ddee7a9b089 [0,2,0,0,0,0|1,0,0]=3 1378 B13R1.5 CCN(C)Cc1ccc(nc1)OC 64e72c3581b282cc9811d96ba793760e [0,2,0,0,0,0|1,0,0]=3 1379 B13R1.5 CCN(C)Cc1cnc(cn1)OC 13a270a4656b834ef0d01ba9119f20ce [0,2,0,0,0,0|2,0,0]=4 1380 B13R1.5 CCN(C)Cc1cnc(nc1)OC a86dda05ba99a26ec9030b8175661d59 [0,2,0,0,0,0|2,0,0]=4 1381 B13R1.5 CCN(C)Cc1ncc(cn1)OC cfd084c481df1f2d49180f56e2ff2f47 [0,2,0,0,0,0|2,0,0]=4 1382 B13R1.5 CC[C@@H](C)Nc1ccc(cn1)OC 526b74bbe6d4222e01ccbff3ea45ea6d [0,2,0,0,0,0|1,0,0]=3 1383 B13R1.5 CC[C@H](C)Nc1ccc(cn1)OC c33afe9b9301d24fa5df1a3db12f8ee3 [0,2,0,0,0,0|1,0,0]=3 1384 B13R1.5 CCc1ccc(cc1)CN(C)C=O f60d512b0e1626a7a8b78f1f21e5e05e [0,2,0,0,0,0|2,0,0]=4 1385 B13R1.5 CCc1ccc(cc1)CN(C)CC 92b68adf790c2183fb544fe72fc4ffdd [0,2,0,0,0,0|1,0,0]=3 1386 B13R1.5 CCc1ccc(cc1)CN(C)CF e1411c7ebc95368c2a7f39a3759357e7 [0,2,0,0,0,0|2,0,0]=4 1387 B13R1.5 CCc1ccc(cc1)CN(C)CO 5cbda9205ec6763774986c2580db3562 [0,2,0,0,0,0|2,0,0]=4 1388 B13R1.5 CCc1ccc(cc1)NC(C)C=O cb3d68455d08cf43208de04422870113 [0,2,0,0,0,0|2,0,0]=4 1389 B13R1.5 CCc1ccc(cc1)NC(C)CC d04ea5fa79ce87bdabdb667066c1458a [0,2,0,0,0,0|1,0,0]=3 1390 B13R1.5 CCc1ccc(cc1)NC(C)CO 0831bbe771b88816bb82ad3e635c52f8 [0,2,0,0,0,0|2,0,0]=4 1391 B13R1.5 CCc1ccc(cc1)N[C@H](C)C=O 8487068cc3447bdcb3f68555764a50e1 [0,2,0,0,0,0|2,0,0]=4 1392 B13R1.5 CCc1ccc(cc1)OC(C)C=O fab312a814ca46e31f28a382bf448c21 [0,2,0,0,0,0|2,0,0]=4 1393 B13R1.5 CCc1ccc(cc1)OC(C)CC c2a22353d68bac44ec33ff284b2978ae [0,2,0,0,0,0|1,0,0]=3 1394 B13R1.5 CCc1ccc(cc1)O[C@H](C)C=O bd318b1662a0fd9f409a2f027e996b0b [0,2,0,0,0,0|2,0,0]=4 1395 B13R1.5 CCc1ccc(nc1)NC(C)CC b4a17b0e4c7eacf7139c6da3481f2c42 [0,2,0,0,0,0|2,0,0]=4 1396 B13R1.5 CCc1ccc(nc1)OC(C)CC e68e4cdc8769304221b1e8ee99ea78e3 [0,2,0,0,0,0|2,0,0]=4 1397 B13R1.5 COc1ccc(cc1)CN(C)C=O 55abd2f6f87391243fe8030bf04d3300 [0,2,0,0,0,0|1,0,0]=3 1398 B13R1.5 COc1ccc(cc1)CN(C)CF 840f7cd22bafd0b2e1856a8ccc16c92e [0,2,0,0,0,0|1,0,0]=3 1399 B13R1.5 COc1ccc(cc1)CN(C)CO 005588f2db046fd4c238b5fc233ae007 [0,2,0,0,0,0|1,0,0]=3 1400 B13R1.5 COc1ccc(cc1)NC(C)C=O 07bf8bc9c8fdb21748690c6dd1e7338e [0,2,0,0,0,0|1,0,0]=3 1401 B13R1.5 COc1ccc(cc1)NC(C)CO 93806937d6aafb69cb39b050e4b899f7 [0,2,0,0,0,0|1,0,0]=3 1402 B13R1.5 COc1ccc(cc1)N[C@@H](C)CO 4073b5c366af28a2a4b83c690d9a0704 [0,2,0,0,0,0|1,0,0]=3 1403 B13R1.5 COc1ccc(cc1)N[C@H](C)C=O 599a3db48368161836ab024f53fd3be8 [0,2,0,0,0,0|1,0,0]=3 1404 B13R1.5 COc1ccc(cc1)N[C@H](C)CO e4e59eb42baeb2111a01ce947e26dab7 [0,2,0,0,0,0|1,0,0]=3 1405 B13R1.5 COc1ccc(cc1)OC(C)C=O f528eae82d204fc6b15e94884f956d1c [0,2,0,0,0,0|1,0,0]=3 1406 B13R1.5 COc1ccc(cc1)O[C@H](C)C=O 50ee912bd8f12762c8bfb8bc1f9178ca [0,2,0,0,0,0|1,0,0]=3 1407 B13R1.5 COc1ccc(cn1)NC(C)C=O 8e50c3bb3151c808fc07fa1935d93db5 [0,2,0,0,0,0|2,0,0]=4 1408 B13R1.5 COc1ccc(cn1)NC(C)CO 1cccc7684f5cfe3bf31b828a77ddc404 [0,2,0,0,0,0|2,0,0]=4 1409 B13R1.5 COc1ccc(cn1)N[C@H](C)C=O c2977a97321d94c880c49c8bed8fc946 [0,2,0,0,0,0|2,0,0]=4 1410 B13R1.5 COc1ccc(cn1)OC(C)C=O 38746368b5ea3e0f5efcfb12845c63f6 [0,2,0,0,0,0|2,0,0]=4 1411 B13R1.5 COc1ccc(cn1)O[C@H](C)C=O 329ab5208be4f01a4765002ac059a17d [0,2,0,0,0,0|2,0,0]=4 1412 B13R1.5 COc1ccc(nc1)NC(C)C#N 5f8a32f6d0055740622701c2dfbecde3 [0,2,0,0,0,0|2,0,0]=4 1413 B13R1.5 COc1ccc(nc1)NC(C)C=O 638448a000b3f3630b70923d698c7f34 [0,2,0,0,0,0|2,0,0]=4 1414 B13R1.5 COc1ccc(nc1)NC(C)CO 5d16790f1b18808601120a6b4ee5c92c [0,2,0,0,0,0|2,0,0]=4 1415 B13R1.5 COc1ccc(nc1)N[C@@H](C)CO 0a31f432f42759f9b4673cf6427417da [0,2,0,0,0,0|2,0,0]=4 1416 B13R1.5 COc1ccc(nc1)N[C@H](C)C=O 79225c6f3fc12ac2350d4dac4091c118 [0,2,0,0,0,0|2,0,0]=4 1417 B13R1.5 COc1ccc(nc1)N[C@H](C)CO 0442359c3fb3b92877cc197062c36231 [0,2,0,0,0,0|2,0,0]=4 1418 B13R1.5 COc1ccc(nc1)OC(C)C=O 05616a2d1efe1ad0fc6055376cbeff4b [0,2,0,0,0,0|2,0,0]=4 1419 B13R1.5 COc1ccc(nc1)O[C@H](C)C=O 1462e547b426d268bbc0f7ca3c1b0de8 [0,2,0,0,0,0|2,0,0]=4 1420 B13R1.5 CSc1ccc(cc1)CN(C)C=O e3156c2f43163bcf1520efca53f4ab5e [0,2,0,0,0,0|1,1,0]=4 1421 B13R1.5 CSc1ccc(cc1)CN(C)CF b8893a0ed388646a49d8f296480ed67f [0,2,0,0,0,0|1,1,0]=4 1422 B13R1.5 CSc1ccc(cc1)CN(C)CO acd584741b589b5cd07998af976d2062 [0,2,0,0,0,0|1,1,0]=4 1423 B13R1.5 CSc1ccc(cc1)NC(C)C=O d2edfeaa61bec82e011f32de5a56c490 [0,2,0,0,0,0|1,1,0]=4 1424 B13R1.5 CSc1ccc(cc1)NC(C)CO 5d4b2fcff2473e557c72e7d63df64f53 [0,2,0,0,0,0|1,1,0]=4 1425 B13R1.5 CSc1ccc(cc1)N[C@@H](C)CO ad4ca269c8f194fd96e4895248dd2ea7 [0,2,0,0,0,0|1,1,0]=4 1426 B13R1.5 CSc1ccc(cc1)N[C@H](C)C=O ea05e3cae7b5cbcd54604af015994fab [0,2,0,0,0,0|1,1,0]=4 1427 B13R1.5 CSc1ccc(cc1)N[C@H](C)CO 7630981b5cd31a70b594d06fe596666a [0,2,0,0,0,0|1,1,0]=4 1428 B13R1.5 CSc1ccc(cc1)OC(C)C=O 1833c4c21dde0e0cc6363591856284d3 [0,2,0,0,0,0|1,1,0]=4 1429 B13R1.5 CSc1ccc(cc1)O[C@H](C)C=O 939f53ea61edd9a164674d4e34a68f1b [0,2,0,0,0,0|1,1,0]=4 1430 B13R1.35 CCc1ccc(cc1Br)OC(C)C 7e97c9d0b09a16e162ce7ca8f2105660 [0,2,0,0,0,0|2,0,0]=4 1431 B13R1.35 CCc1ccc(cc1Cl)NC(C)C e60121392396a25de6076557e9139205 [0,2,0,0,0,0|2,0,0]=4 1432 B13R1.35 CCc1ccc(cc1Cl)OC(C)C abb696736a58ee0122e8171f1a00ddf6 [0,2,0,0,0,0|2,0,0]=4 1433 B13R1.35 CCc1ccc(cc1F)OC(C)C f7681f79fefefa734a5b6de3bc918d8f [0,2,0,0,0,0|2,0,0]=4 1434 B13R1.35 COc1ccc(cc1Br)NC(C)C ffa1c8426f042abe15df19739b7cb0dc [0,2,0,0,0,0|1,0,0]=3 1435 B13R1.35 COc1ccc(cc1Br)OC(C)C e832a7b8bb3dfedf5f650da534fd39ee [0,2,0,0,0,0|1,0,0]=3 1436 B13R1.35 COc1ccc(cc1C)NC(C)C 468b3e96e87a549b7fb5c5316ba65224 [0,2,0,0,0,0|1,0,0]=3 1437 B13R1.35 COc1ccc(cc1C)OC(C)C 055e24233ac66389767b1cbea9d885ac [0,2,0,0,0,0|1,0,0]=3 1438 B13R1.35 COc1ccc(cc1Cl)NC(C)C ccd44488d6499f8e66ad0327d516b4fc [0,2,0,0,0,0|1,0,0]=3 1439 B13R1.35 COc1ccc(cc1Cl)OC(C)C 3740d3d1689d24ec02a9295481eab237 [0,2,0,0,0,0|1,0,0]=3 1440 B13R1.35 COc1ccc(cc1F)NC(C)C 2590fb13f10910483b6298f484713743 [0,2,0,0,0,0|1,0,0]=3 1441 B13R1.35 COc1ccc(cc1F)OC(C)C 6d62b6bae5c494ca4e3a8b996af5fe4f [0,2,0,0,0,0|1,0,0]=3 1442 B13R1.35 COc1ccc(cc1I)NC(=O)C da0ace714ced699435f8780b1d8a9450 [0,2,0,0,0,0|1,0,1]=4 1443 B13R1.35 COc1ccc(cc1I)NC(C)C c29b7745832574a4d3f3db30ebeed38a [0,2,0,0,0,0|1,0,0]=3 1444 B13R1.35 COc1ccc(cc1I)OC(C)C 3691e2a73c49417af8d92514921af6bc [0,2,0,0,0,0|1,0,0]=3 1445 B13R1.35 COc1ccc(cc1O)NC(=O)C 27db663d7df404e2b29bc609498e05b4 [0,2,0,0,0,0|1,0,1]=4 1446 B13R1.35 COc1cnc(cc1Cl)NC(C)C 52e64f57b820586ee59f3e07f45d137c [0,2,0,0,0,0|2,0,0]=4 1447 B13R1.35 COc1cnc(cc1F)NC(C)C 75e183f6b56240313c86039b5b4388f1 [0,2,0,0,0,0|2,0,0]=4 1448 B13R1.35 COc1ncc(cc1C)NC(C)C ac721c956c9976cab538fe18092744fa [0,2,0,0,0,0|2,0,0]=4 1449 B13R1.35 COc1ncc(cc1Cl)NC(C)C 1e202bff32bbf6ed0f38c9dadf64d1d6 [0,2,0,0,0,0|2,0,0]=4 1450 B13R1.35 COc1ncc(cc1Cl)OC(C)C bb141a2a8effc057ab8bb63cc4a0560c [0,2,0,0,0,0|2,0,0]=4 1451 B13R1.35 COc1ncc(cc1F)NC(C)C a43a1a24b1b18b7c3dd824ffc5a05b3a [0,2,0,0,0,0|2,0,0]=4 1452 B13R1.35 COc1ncc(cc1F)OC(C)C bc039ca981761969dc32e2e88c3d2122 [0,2,0,0,0,0|2,0,0]=4 1453 B13R1.35 CSc1ccc(cc1C)OC(C)C 635d586b3692f565533c5f13f02d1479 [0,2,0,0,0,0|1,1,0]=4 1454 B13R1.35 CSc1ccc(cc1Cl)NC(C)C 95a0bbc4676be55ff53ec744ae0ac5f9 [0,2,0,0,0,0|1,1,0]=4 1455 B13R1.35 CSc1ccc(cc1Cl)OC(C)C 260abdb08ee65d7fac5ecd9095c71950 [0,2,0,0,0,0|1,1,0]=4 1456 B13R1.35 CSc1ccc(cc1F)NC(C)C 3acc5bf7393d358f629574b866dd1816 [0,2,0,0,0,0|1,1,0]=4 1457 B13R1.35 CSc1ccc(cc1F)OC(C)C bcf9818831dbf971971550e96c3a87c4 [0,2,0,0,0,0|1,1,0]=4 1458 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 5c451366eb01aa010a2709b6ea79b3bc [0,2,0,0,0,0|1,0,1]=4 1459 B13R1.36 COc1ccc(nc1)N(C)C(C)C 3b4615af5bcc8c78c7b07d73e1d3b364 [0,2,0,0,0,0|2,0,0]=4 1460 B13R1.142 C#CCc1ccc(cc1)OC(C)C 8f7745f7f417b79ebc65a462cd8c0c30 [0,2,0,0,0,0|0,0,2]=4 1461 B13R1.142 C=CCc1ccc(cc1)OC(C)C 3a71c55c68ad055ac37b7f8428d0ee4b [0,2,0,0,0,0|0,0,2]=4 1462 B13R1.142 CC(=O)Cc1ccc(cc1)OCF 75fc1214a99a678f4166f0b9f700f5f8 [0,2,0,0,0,0|0,0,1]=3 1463 B13R1.142 CC(=O)Nc1ccc(cc1)CCBr 56b3f8581e1cfacfd9bb71ea371c32f7 [0,2,0,0,0,0|2,0,0]=4 1464 B13R1.142 CC(=O)Nc1ccc(cc1)CCO 78bb66b7ff3716af0872f5ca85176c53 [0,2,0,0,0,0|2,0,0]=4 1465 B13R1.142 CC(=O)Nc1ccc(cc1)OCF 715a040b12cbfea9597b85337449d8fe [0,2,0,0,0,0|1,0,1]=4 1466 B13R1.142 CC(=O)Oc1ccc(cc1)NCF c8a42ff2bf4b244c3d455b22b5be46d6 [0,2,0,0,0,0|2,0,0]=4 1467 B13R1.142 CC(=O)Oc1ccc(cc1)NCO 764aa50059768f0f077d99ca40a2d847 [0,2,0,0,0,0|2,0,0]=4 1468 B13R1.142 CC(=O)Oc1ccc(cc1)OCF 88ed36f87e4ffef0ec393abd77b71834 [0,2,0,0,0,0|1,0,1]=4 1469 B13R1.142 CC(C)Cc1ccc(cc1)NC=O 6f95e18e8457f75b73cae377e3af8826 [0,2,0,0,0,0|1,0,1]=4 1470 B13R1.142 CC(C)Cc1ccc(cc1)NCF ab69b5185b87a6b4e51f5419bc46e48f [0,2,0,0,0,0|1,0,0]=3 1471 B13R1.142 CC(C)Cc1ccc(cc1)NCO 7653bbefa45a749a2dd45d430f6af0e7 [0,2,0,0,0,0|1,0,0]=3 1472 B13R1.142 CC(C)Cc1ccc(cc1)OCF c114182aa7f5220f6361154ae9d4f383 [0,2,0,0,0,0|0,0,0]=2 1473 B13R1.142 CC(C)Cc1ccc(cn1)NCF b12995ea1776d39b6558892a54b17421 [0,2,0,0,0,0|2,0,0]=4 1474 B13R1.142 CC(C)Cc1ccc(cn1)NCO bb8203b9907893d96d8459e4509ff01e [0,2,0,0,0,0|2,0,0]=4 1475 B13R1.142 CC(C)Nc1ccc(cc1)CCBr 7a1c08ff4e9f4974300610d6ff545ee3 [0,2,0,0,0,0|2,0,0]=4 1476 B13R1.142 CC(C)Nc1ccc(cc1)CCO 0191d51fdf89e18d4d726fd0173bc10b [0,2,0,0,0,0|2,0,0]=4 1477 B13R1.142 CC(C)Nc1ccc(cc1)OCF 73dfe53380004446208b7599c87ca69d [0,2,0,0,0,0|1,0,0]=3 1478 B13R1.142 CC(C)Oc1ccc(cc1)CC#N 7e03789b89a6cef1afba62c576d936c1 [0,2,0,0,0,0|1,0,1]=4 1479 B13R1.142 CC(C)Oc1ccc(cc1)CC=O 7a881167b9a5cefb9bc2f1d31711b1eb [0,2,0,0,0,0|1,0,1]=4 1480 B13R1.142 CC(C)Oc1ccc(cc1)CCF 7096172ff5af6afdf261ea5a1fa89879 [0,2,0,0,0,0|1,0,0]=3 1481 B13R1.142 CC(C)Oc1ccc(cc1)NCF f7f6ad53c2efeb9922b9a3ef72982a6d [0,2,0,0,0,0|2,0,0]=4 1482 B13R1.142 CC(C)Oc1ccc(cc1)NCO 96662adb2ddf4d45cd7379a7b6f96792 [0,2,0,0,0,0|2,0,0]=4 1483 B13R1.142 CC(C)Oc1ccc(cc1)OCF 17130c347d069aeaf7cb1bc92c7bd5ff [0,2,0,0,0,0|1,0,0]=3 1484 B13R1.142 CC(C)Oc1ccc(cn1)OCF 3fa3ed235bc2e119c3119d404980e796 [0,2,0,0,0,0|2,0,0]=4 1485 B13R1.142 CC(C)Sc1ccc(cc1)NCF 8c15a3ed999952bceb5d33aa53c5136d [0,2,0,0,0,0|2,0,0]=4 1486 B13R1.142 CC(C)Sc1ccc(cc1)NCO 5cfc6837cd2b41194bf87df90f995ed5 [0,2,0,0,0,0|2,0,0]=4 1487 B13R1.142 CC(C)Sc1ccc(cc1)OCF 1a1069032f6feda8ff779b69a150f768 [0,2,0,0,0,0|1,0,0]=3 1488 B13R1.142 CCCc1ccc(cc1)NC(=O)C 4344993057e564a1d0571b36936ffa47 [0,2,0,0,0,0|1,0,0]=3 1489 B13R1.142 CCCc1ccc(cc1)NC(C)C cfa805e7544b211aa926dbf36a319dd3 [0,2,0,0,0,0|1,0,0]=3 1490 B13R1.142 CCCc1ccc(cc1)OC(C)C 456d070db70f39855797de72245dce56 [0,2,0,0,0,0|0,0,0]=2 1491 B13R1.142 CCNc1ccc(cc1)CC(C)C 86b6be64526d0c8d72ae0ab36e27d97b [0,2,0,0,0,0|1,0,0]=3 1492 B13R1.142 CCNc1ccc(cc1)CC(F)F 0ee3bb77dd3a0e1cd19231dcd8f0a50e [0,2,0,0,0,0|2,0,0]=4 1493 B13R1.142 CCNc1ccc(cc1)CN(C)C 56a9d8db333cf9d5e45ab3ef4a69c386 [0,2,0,0,0,0|2,0,0]=4 1494 B13R1.142 CCNc1ccc(cc1)NC(=O)C 5cd8c0f2190696e6f0d15e9a0961df41 [0,2,0,0,0,0|2,0,0]=4 1495 B13R1.142 CCNc1ccc(cc1)OC(=O)C a1d0aad4683dd3b385d0e29fe7f5919e [0,2,0,0,0,0|1,0,0]=3 1496 B13R1.142 CCNc1ccc(cc1)OC(C)C 9791d81b2fa341c94a8c984588454d38 [0,2,0,0,0,0|1,0,0]=3 1497 B13R1.142 CCNc1ccc(cc1)OC(F)F 1dc9e045651f30402d789a06548bb1b3 [0,2,0,0,0,0|1,0,0]=3 1498 B13R1.142 CCNc1ccc(cc1)SC(C)C e21e0088396d17e87e59100af4738d15 [0,2,0,0,0,0|1,1,0]=4 1499 B13R1.142 CCNc1ccc(cc1)SC(F)F db3376ece2f6601b6692dee4e27dd992 [0,2,0,0,0,0|1,1,0]=4 1500 B13R1.142 CCNc1ccc(cn1)OC(F)F 1199251b0e4eb00bfac3cac1a45f711c [0,2,0,0,0,0|2,0,0]=4 1501 B13R1.142 CCNc1ccc(nc1)CC(C)C e64f5635964e327e363849dda54f2c21 [0,2,0,0,0,0|2,0,0]=4 1502 B13R1.142 CCNc1ccc(nc1)OC(C)C 7ae7046253318b970b01c0a4c2e197a8 [0,2,0,0,0,0|2,0,0]=4 1503 B13R1.142 CCNc1ccc(nc1)OC(F)F eabc3109742acffcd53315d5dde139f9 [0,2,0,0,0,0|2,0,0]=4 1504 B13R1.142 CCOc1ccc(cc1)CC(=O)C d80e0580aaa0797b2b307176797c60e8 [0,2,0,0,0,0|0,0,1]=3 1505 B13R1.142 CCOc1ccc(cc1)CC(=O)N eb659dcc5323b7c328435d8368fef1c1 [0,2,0,0,0,0|1,0,1]=4 1506 B13R1.142 CCOc1ccc(cc1)CC(=O)O 3e3f9ad058692ade9bce9ac403466c1d [0,2,0,0,0,0|1,0,1]=4 1507 B13R1.142 CCOc1ccc(cc1)CC(C)C 12bb2357add226cea404f6c015341b41 [0,2,0,0,0,0|0,0,0]=2 1508 B13R1.142 CCOc1ccc(cc1)CN(C)C 1517776ac60878ebbdebf40e6254e495 [0,2,0,0,0,0|1,0,0]=3 1509 B13R1.142 CCOc1ccc(cc1)NC(=O)C ea4e3cc9a585eaba961ba701c8f21158 [0,2,0,0,0,0|1,0,1]=4 1510 B13R1.142 CCOc1ccc(cc1)NC(C)C 8e32b1ed9cae08d9f5404617754d4b2c [0,2,0,0,0,0|1,0,0]=3 1511 B13R1.142 CCOc1ccc(cc1)OC(=O)C 52c79dd603bbd283f78b093adeb4e062 [0,2,0,0,0,0|1,0,0]=3 1512 B13R1.142 CCOc1ccc(cc1)OC(C)C 52e1c0a1919664bde0184c4037267ce4 [0,2,0,0,0,0|1,0,0]=3 1513 B13R1.142 CCOc1ccc(cc1)OC(F)F c0e000225a958047ab5a96fca0d953de [0,2,0,0,0,0|1,0,0]=3 1514 B13R1.142 CCOc1ccc(cc1)SC(C)C 066a078e41bc3d45546bd1bead96dab8 [0,2,0,0,0,0|1,0,0]=3 1515 B13R1.142 CCOc1ccc(cn1)NC(C)C bc374ed2082e8b3c015df685c4c4f97f [0,2,0,0,0,0|2,0,0]=4 1516 B13R1.142 CCOc1ccc(cn1)OC(C)C 8a4727fa0fcf4db33818acabb5d23a0e [0,2,0,0,0,0|2,0,0]=4 1517 B13R1.142 CCOc1ccc(nc1)NC(C)C 02ac82d09a30c6a7f64a11ca52899f46 [0,2,0,0,0,0|2,0,0]=4 1518 B13R1.142 CCOc1ccc(nc1)OC(C)C bbdb7e2823ef245ce824d4c50e783808 [0,2,0,0,0,0|2,0,0]=4 1519 B13R1.142 CCOc1ccc(nc1)OC(F)F 0d83cc93ecaaad5c1440ef2905adc900 [0,2,0,0,0,0|2,0,0]=4 1520 B13R1.142 CCSc1ccc(cc1)OC(C)C 433c3420cec1e27fbdb9eeda0da9d2b4 [0,2,0,0,0,0|1,0,0]=3 1521 B13R1.142 CN(C)Cc1ccc(cc1)NCF 6a3a0bf8b11a0d7a2dabc5886e236855 [0,2,0,0,0,0|2,0,0]=4 1522 B13R1.142 CN(C)Cc1ccc(cc1)NCO 5235021a8b794f8197790ffd7e084c70 [0,2,0,0,0,0|2,0,0]=4 1523 B13R1.142 CN(C)Cc1ccc(cc1)OCF 18433ae42a0905d63a23e8dc7dd55a7b [0,2,0,0,0,0|1,0,0]=3 1524 B13R1.142 COCc1ccc(cc1)NC(=O)C 465513ec488266f4aa1a92c09f4bab5c [0,2,0,0,0,0|1,0,1]=4 1525 B13R1.142 COCc1ccc(cc1)NC(C)C 68b3a7da684fdcd1b1cd162a48628d85 [0,2,0,0,0,0|1,0,0]=3 1526 B13R1.142 COCc1ccc(cc1)OC(C)C 5e6673597bdea662dc01f24ee4fc10dc [0,2,0,0,0,0|1,0,0]=3 1527 B13R1.142 CSCc1ccc(cc1)NC(=O)C 932de68c2db355302ae9f9c40c8d5520 [0,2,0,0,0,0|2,0,0]=4 1528 B13R1.142 CSCc1ccc(cc1)NC(C)C b714bdf1845873a6f4efee1d2cfb363c [0,2,0,0,0,0|1,1,0]=4 1529 B13R1.142 FCNc1ccc(cc1)CC(F)F b8000bf8d6c676611cd9fc8a1da83bb4 [0,2,0,0,0,0|2,0,0]=4 1530 B13R1.142 FCNc1ccc(cc1)OC(F)F 073520ff66de918ee769b13dda9d5bf3 [0,2,0,0,0,0|2,0,0]=4 1531 B13R1.142 FCOc1ccc(cc1)OC(F)F f0cf6df4dd67cf4dc769d45815c2de89 [0,2,0,0,0,0|2,0,0]=4 1532 B13R1.142 NC(=O)Cc1ccc(cc1)OCF 454d7470c37e39a17f72633e6c68e8ed [0,2,0,0,0,0|1,0,1]=4 1533 B13R1.142 O=C(O)Cc1ccc(cc1)OCF 7d39c98a593b15cc1517e1ce3c1d0653 [0,2,0,0,0,0|1,0,1]=4 1534 B13R1.142 OCNc1ccc(cc1)CC(F)F a88542297de5f87899f18422477c30cf [0,2,0,0,0,0|2,0,0]=4 1535 B13R1.142 OCNc1ccc(cc1)OC(F)F 47480d68868709a7f9f1d0cd5f827881 [0,2,0,0,0,0|2,0,0]=4 1536 B13R1.585 C=C(C)c1ccc(cc1)OC(C)C c728777fa1e53559069851fad769b63a [0,2,0,0,0,0|2,0,0]=4 1537 B13R1.585 CC(=O)c1ccc(cc1)NC(C)C 8b5a780fbf36f9b7308bb2274dc9115c [0,2,0,0,0,0|2,0,0]=4 1538 B13R1.585 CC(=O)c1ccc(cc1)OC(C)C 9071a26d99745e5c4ccc5deee6daf818 [0,2,0,0,0,0|2,0,0]=4 1539 B13R1.585 CC(C)Nc1ccc(cc1)C(C)C 89b2a462e2c5ecc1be668f6436f410f7 [0,2,0,0,0,0|2,0,0]=4 1540 B13R1.585 CC(C)Nc1ccc(cc1)C(C)O 96de7766f8821412133c1f1a8aa27a9e [0,2,0,0,0,0|2,0,0]=4 1541 B13R1.585 CC(C)Nc1ccc(cc1)N(C)C 7d6ec150a99216d01ee95ec3c68c00bf [0,2,0,0,0,0|2,0,0]=4 1542 B13R1.585 CC(C)Nc1ccc(cc1)S(=O)C 6558c429263532ec0e1fef84f81a83c0 [0,2,0,0,0,0|1,1,0]=4 1543 B13R1.585 CC(C)Oc1ccc(cc1)C(C)C cc289477fa7eab9044cd1fe112276acb [0,2,0,0,0,0|2,0,0]=4 1544 B13R1.585 CC(C)Oc1ccc(cc1)N(C)C fb89af93f45b678443442fddbc50d8f8 [0,2,0,0,0,0|2,0,0]=4 1545 B13R1.585 CC(C)Oc1ccc(cc1)S(=O)C c3cc33fb9cf73645aba52a834c952a14 [0,2,0,0,0,0|1,1,0]=4 1546 B13R1.653 CCc1ccc(c(c1)Br)NC(C)C b5797c70fb961357ff44ce362343ec33 [0,2,0,0,0,0|2,0,0]=4 1547 B13R1.653 CCc1ccc(c(c1)Br)OC(C)C a24062e92feedbcdabf0d098610dbd22 [0,2,0,0,0,0|2,0,0]=4 1548 B13R1.653 CCc1ccc(c(c1)C)NC(C)C 80e09cdcf033d231e53341b2bdb3049f [0,2,0,0,0,0|2,0,0]=4 1549 B13R1.653 CCc1ccc(c(c1)C)OC(C)C d5e74939a165f369b782f2804d64c8ce [0,2,0,0,0,0|2,0,0]=4 1550 B13R1.653 CCc1ccc(c(c1)Cl)NC(C)C 82f48f79d5784fd306c7ed1b629a4aaa [0,2,0,0,0,0|2,0,0]=4 1551 B13R1.653 CCc1ccc(c(c1)Cl)OC(C)C fbf5e5282ae63bafa88bbcb272902492 [0,2,0,0,0,0|2,0,0]=4 1552 B13R1.653 CCc1ccc(c(c1)F)NC(C)C 14b3f9bc30469d1dc3ac9253754d7889 [0,2,0,0,0,0|2,0,0]=4 1553 B13R1.653 CCc1ccc(c(c1)I)NC(C)C 581a6495c162dba30fc33d65ee4c6274 [0,2,0,0,0,0|2,0,0]=4 1554 B13R1.653 COc1cc(c(cn1)OC(C)C)C a07f008b35aea145b5891c295a913919 [0,2,0,0,0,0|2,0,0]=4 1555 B13R1.653 COc1cc(c(cn1)OC(C)C)I 7db4fbd71fdcdbb01c4ecf145208fdff [0,2,0,0,0,0|2,0,0]=4 1556 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 96b72a58a5b5497df1a42bfd2ba68a1b [0,2,0,0,0,0|1,0,1]=4 1557 B13R1.653 COc1ccc(c(c1)Br)OC(C)C 3625f3b539b35298743d3daed8e904df [0,2,0,0,0,0|1,0,0]=3 1558 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 90b0cacdcf4b06ee2d4df8016971434d [0,2,0,0,0,0|1,0,1]=4 1559 B13R1.653 COc1ccc(c(c1)C)NC(C)C 4866ba679ef6e070767c096dac4d4c57 [0,2,0,0,0,0|1,0,0]=3 1560 B13R1.653 COc1ccc(c(c1)C)OC(C)C df1cbf72a86fed3dc3f5527d9c956941 [0,2,0,0,0,0|1,0,0]=3 1561 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 8e281b347dbd1df8119bc78f2a9262e2 [0,2,0,0,0,0|1,0,1]=4 1562 B13R1.653 COc1ccc(c(c1)Cl)NC(C)C fa28add5fb89e578009cc5806b11b08a [0,2,0,0,0,0|1,0,0]=3 1563 B13R1.653 COc1ccc(c(c1)Cl)OC(C)C 5b71e99a5df2a6833b0e50191780e832 [0,2,0,0,0,0|1,0,0]=3 1564 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 748bbdd0efb73e4b803ccaac8f688290 [0,2,0,0,0,0|1,0,1]=4 1565 B13R1.653 COc1ccc(c(c1)F)NC(C)C df6adf21eba014ed94d20329b92cc000 [0,2,0,0,0,0|1,0,0]=3 1566 B13R1.653 COc1ccc(c(c1)F)OC(C)C afe4fffe1ec014ae2d5af09dbb1ca8f3 [0,2,0,0,0,0|1,0,0]=3 1567 B13R1.653 COc1ccc(c(c1)I)NC(=O)C f4fb26487031e5f7602349064b2e5b00 [0,2,0,0,0,0|1,0,1]=4 1568 B13R1.653 COc1ccc(c(c1)I)NC(C)C 151119e2187aaf57ecf5ffae671830b2 [0,2,0,0,0,0|1,0,0]=3 1569 B13R1.653 COc1ccc(c(c1)I)OC(C)C 92586f7b711b01edffce3689b01fc6e7 [0,2,0,0,0,0|1,0,0]=3 1570 B13R1.653 COc1ccc(c(c1)O)NC(=O)C b85b0dfcba0f6b91fd4f842ed915624e [0,2,0,0,0,0|1,0,1]=4 1571 B13R1.653 COc1ccc(c(c1)S)NC(=O)C aed963e0e9c0d47f9b85df51fd70b499 [0,2,0,0,0,0|1,0,1]=4 1572 B13R1.653 COc1ccc(c(c1)S)NC(C)C db01971fb0516bb573bb77cbd1aa976d [0,2,0,0,0,0|1,0,0]=3 1573 B13R1.653 COc1ccc(c(n1)Br)OC(C)C 1261bfe0d03c5b41049734b13695244b [0,2,0,0,0,0|2,0,0]=4 1574 B13R1.653 COc1ccc(c(n1)C)OC(C)C a579e61491f99de60bae7c8c39bb461c [0,2,0,0,0,0|2,0,0]=4 1575 B13R1.653 COc1ccc(c(n1)Cl)OC(C)C 9a53f02a7d4acd0816331e506c25701c [0,2,0,0,0,0|2,0,0]=4 1576 B13R1.653 COc1cnc(c(c1)Br)NC(C)C ead89cdeb786abb15d56fdeecf123e8d [0,2,0,0,0,0|2,0,0]=4 1577 B13R1.653 COc1cnc(c(c1)C)NC(C)C ce453620c5006bff32a462f634ea2dfd [0,2,0,0,0,0|2,0,0]=4 1578 B13R1.653 COc1cnc(c(c1)Cl)OC(C)C 4656778dd6a463a606dbe6e8416709ea [0,2,0,0,0,0|2,0,0]=4 1579 B13R1.653 COc1cnc(c(c1)F)NC(C)C f4efbea41aad43b418aebcc3032281b2 [0,2,0,0,0,0|2,0,0]=4 1580 B13R1.653 CSc1ccc(c(c1)Br)OC(C)C 170108f3f325c3f404245da545f0a1bd [0,2,0,0,0,0|1,1,0]=4 1581 B13R1.653 CSc1ccc(c(c1)C)OC(C)C a51a5347df3e79bb7c166bd4b6cb9b5f [0,2,0,0,0,0|1,1,0]=4 1582 B13R1.39 CCN(C=O)c1ccc(cc1)OC 9f82661be903fe49951d168600e2be9a [0,2,0,0,0,0|1,0,0]=3 1583 B13R1.39 CCN(CC)c1ccc(cc1)OC d8bd0cf216a567bd8d4e11f33721a9c8 [0,2,0,0,0,0|1,0,0]=3 1584 B13R1.39 CCN(CF)c1ccc(cc1)OC 6b43318e89574bc97c63b364f44079b4 [0,2,0,0,0,0|1,0,0]=3 1585 B13R1.39 CCN(CO)c1ccc(cc1)OC affc5e899edb27f6df9f6f8c7902336a [0,2,0,0,0,0|1,0,0]=3 1586 B13R1.39 CCc1ccc(cc1)N(C=O)CC 5410996f4e53943545505efe1ec1752a [0,2,0,0,0,0|2,0,0]=4 1587 B13R1.139 CCC(=O)c1ccc(cc1)NCF 10c4ad392622cfb0bbbe40aa4cf73106 [0,2,0,0,0,0|1,0,1]=4 1588 B13R1.139 CCC(=O)c1ccc(cc1)NCO 60ac01c879360b096e535e18dbf45c70 [0,2,0,0,0,0|1,0,1]=4 1589 B13R1.139 CCC(=O)c1ccc(cc1)OCF 90c6abc59b2cdb6e05c7332d51c11653 [0,2,0,0,0,0|0,0,1]=3 1590 B13R1.139 CCC(C)c1ccc(cc1)NC=O 8a277943d5ff2f222bcc55b0949260d1 [0,2,0,0,0,0|1,0,1]=4 1591 B13R1.139 CCC(C)c1ccc(cc1)OCF a7ec2fd5c3b4dfa79e743f12603d6954 [0,2,0,0,0,0|0,0,0]=2 1592 B13R1.139 CCC(O)c1ccc(cc1)NC#N d1be447a95ae1e95e468b02b29c34eae [0,2,0,0,0,0|1,0,1]=4 1593 B13R1.139 CCC(O)c1ccc(cc1)NC=O 02678ca23138722109e00d86e8d1e908 [0,2,0,0,0,0|1,0,1]=4 1594 B13R1.139 CCC(O)c1ccc(cc1)NCF 15680c425645231dbfe5c7cadb8b8bc6 [0,2,0,0,0,0|1,0,0]=3 1595 B13R1.139 CCC(O)c1ccc(cc1)NCO c52a8ca3ccd23f838b146fba6790ed86 [0,2,0,0,0,0|1,0,0]=3 1596 B13R1.139 CCN(C)c1ccc(cc1)CCO a44bc1593339f1160fa9f200644fb156 [0,2,0,0,0,0|2,0,0]=4 1597 B13R1.139 CCN(C)c1ccc(cc1)CON b3e631213c14accd01508993d8ff0e65 [0,2,0,0,0,0|2,0,0]=4 1598 B13R1.139 CCN(C)c1ccc(cc1)NCF 5fa12f7565bff54b405a062687a80255 [0,2,0,0,0,0|2,0,0]=4 1599 B13R1.139 CCN(C)c1ccc(cc1)NCO d48fc4c17a6de82084069e68c82fedbb [0,2,0,0,0,0|2,0,0]=4 1600 B13R1.139 CCN(C)c1ccc(cn1)COC 6331860537db3f93a6fe7c7101bb8c48 [0,2,0,0,0,0|2,0,0]=4 1601 B13R1.139 CCNc1ccc(cc1)C(=O)CBr 2dd7f1a931a30acbbaab76ace3039495 [0,2,0,0,0,0|2,0,0]=4 1602 B13R1.139 CCNc1ccc(cc1)C(=O)CC fb0d18d6708af4bdae4dcbc0fb414e98 [0,2,0,0,0,0|1,0,1]=4 1603 B13R1.139 CCNc1ccc(cc1)C(=O)CCl 8e03f31848d3898b7ee4129ff58c354c [0,2,0,0,0,0|2,0,0]=4 1604 B13R1.139 CCNc1ccc(cc1)C(=O)NC a474f315e31d85e56071342a48676a90 [0,2,0,0,0,0|2,0,0]=4 1605 B13R1.139 CCNc1ccc(cc1)C(=O)OC dd765f1276ed909864650b10aee486d3 [0,2,0,0,0,0|1,0,0]=3 1606 B13R1.139 CCNc1ccc(cc1)C(C)C#N 88b7ba8b130c242a01da5c2849e6b2c2 [0,2,0,0,0,0|2,0,0]=4 1607 B13R1.139 CCNc1ccc(cc1)C(O)CC 1c7664c21e07085596615a8ff899ee3c [0,2,0,0,0,0|1,0,0]=3 1608 B13R1.139 CCNc1ccc(cc1)N(C)CC 0bc49b3949fe4aa1e37cc63335823fff [0,2,0,0,0,0|2,0,0]=4 1609 B13R1.139 CCNc1ccc(cn1)C(=O)OC c1cbb2fcf564e5852bd33d12170957f9 [0,2,0,0,0,0|2,0,0]=4 1610 B13R1.139 CCNc1ccc(nc1)C(=O)OC e6acbeb658e178f842a0f5b4c84ecf8d [0,2,0,0,0,0|2,0,0]=4 1611 B13R1.139 CCOc1ccc(cc1)C(=O)CC c9a13db665da42a8ebb2ea15795d22cc [0,2,0,0,0,0|0,0,1]=3 1612 B13R1.139 CCOc1ccc(cc1)C(=O)CF 73cb92f4d5260b2655adf607b2b5e5b5 [0,2,0,0,0,0|1,0,1]=4 1613 B13R1.139 CCOc1ccc(cc1)C(=O)NC 5853460c3dd0b1088b7fd97b1c7c358b [0,2,0,0,0,0|1,0,1]=4 1614 B13R1.139 CCOc1ccc(cc1)C(=O)OC 3e75b53a78270d5f6be841a8e24f6c96 [0,2,0,0,0,0|1,0,0]=3 1615 B13R1.139 CCOc1ccc(cc1)C(C)OC be3b3531e6fc70e14245bfd3ab41cb9f [0,2,0,0,0,0|1,0,0]=3 1616 B13R1.139 CCOc1ccc(cc1)N(C)C=O 7ba67980bd906f5e94fc50677cf9e0e8 [0,2,0,0,0,0|2,0,0]=4 1617 B13R1.139 CCOc1ccc(cc1)N(C)CF 0c97a09ccb177d334054e17130cd1978 [0,2,0,0,0,0|2,0,0]=4 1618 B13R1.139 CCOc1ccc(cc1)N(C)CO 0c0894a3c149ab61b4bed4b993fe5dc3 [0,2,0,0,0,0|2,0,0]=4 1619 B13R1.139 CCOc1ccc(cn1)C(=O)OC 3a94a619d244fabbc6bdcd415d780846 [0,2,0,0,0,0|2,0,0]=4 1620 B13R1.139 CCOc1ccc(nc1)C(=O)OC 72adae7af16f04d0a06a199a7e30827c [0,2,0,0,0,0|2,0,0]=4 1621 B13R1.139 CCOc1ccc(nc1)N(C)CC 04d84b3c191b714e89d618d8c7e60304 [0,2,0,0,0,0|2,0,0]=4 1622 B13R1.139 CN(C=O)c1ccc(cc1)CCO 45b20350f0c588db451102761f8a0684 [0,2,0,0,0,0|2,0,0]=4 1623 B13R1.139 CN(CF)c1ccc(cc1)CCO e82b74b66a485c26fa4f0e3fc365faf2 [0,2,0,0,0,0|2,0,0]=4 1624 B13R1.139 CN(CO)c1ccc(cc1)CCO fd3329634789fa74c2c3a3229acf96c6 [0,2,0,0,0,0|2,0,0]=4 1625 B13R1.139 CNC(=O)c1ccc(cc1)OCF 942e450b43b741a5bd331eb96f694f3b [0,2,0,0,0,0|1,0,1]=4 1626 B13R1.139 COC(=O)c1ccc(cc1)NCF 28ae02c79ce29e5667b6136a2cacc145 [0,2,0,0,0,0|2,0,0]=4 1627 B13R1.139 COC(=O)c1ccc(cc1)NCO ad3bcda557c4b3729ee186a87dd55061 [0,2,0,0,0,0|2,0,0]=4 1628 B13R1.139 COC(=O)c1ccc(cc1)OCF 64bd49f85dded0f4c34376fa8cb228c7 [0,2,0,0,0,0|1,0,1]=4 1629 B13R1.139 COC(C)c1ccc(cc1)OCF 85d3d5779161ba9367ec507e162402be [0,2,0,0,0,0|1,0,0]=3 1630 B13R1.139 O=C(CF)c1ccc(cc1)OCF 47744e0bce1c4a38e0e9a811276945c3 [0,2,0,0,0,0|1,0,1]=4 1631 B13R1.452 C#CCN(C)c1ccc(cc1)OC f2a1112b9eaabd79dfad4b9a74d2aa1f [0,2,0,0,0,0|0,0,2]=4 1632 B13R1.452 C=CCN(C)c1ccc(cc1)OC 4c66033053ab824110c5d14da2bcc167 [0,2,0,0,0,0|0,0,2]=4 1633 B13R1.452 C=Cc1ccc(cc1)C(C)NCC 0cd9191cb9a1385c8b0f6ef25a37a175 [0,2,0,0,0,0|1,0,1]=4 1634 B13R1.452 C=Cc1ccc(cc1)[C@H](C)NCC b0873884040b39bbbafbe4d524f5243f [0,2,0,0,0,0|1,0,1]=4 1635 B13R1.452 CCCN(C)c1ccc(cc1)C=O 95f7ddcf7ee59738eac1bb14a5f0fc97 [0,2,0,0,0,0|2,0,0]=4 1636 B13R1.452 CCCN(C)c1ccc(cc1)CO 568cf54a7b3dd6d204b8238b7e71857e [0,2,0,0,0,0|2,0,0]=4 1637 B13R1.452 CCCN(C)c1ccc(cc1)NO c19e65f11b59afd8c818bb9a7a6e741c [0,2,0,0,0,0|2,0,0]=4 1638 B13R1.452 CCCN(C)c1ccc(cc1)OC f037e09098e2b3a26a15cba395700a6b [0,2,0,0,0,0|0,0,0]=2 1639 B13R1.452 CCCN(C)c1ccc(cc1)SC 2bebb0eba1594097eaf3e5815cbece34 [0,2,0,0,0,0|0,1,0]=3 1640 B13R1.452 CCCN(C)c1ccc(cn1)OC 9104ab2297b4e4a9a86833bf7d2c04ac [0,2,0,0,0,0|1,0,0]=3 1641 B13R1.452 CCNC(C)c1ccc(cc1)C#N 994485fc30e38a405d9e555aacbd58c7 [0,2,0,0,0,0|2,0,0]=4 1642 B13R1.452 CCNC(C)c1ccc(cc1)CO 88bb55d75f76db7940188ce87b92c500 [0,2,0,0,0,0|2,0,0]=4 1643 B13R1.452 CCNC(C)c1ccc(cc1)OC 9a4ec247918389e85c4c9d31cf557c32 [0,2,0,0,0,0|0,0,0]=2 1644 B13R1.452 CCNC(C)c1ccc(nc1)OC 935107417da651e4c60f4af03db8d417 [0,2,0,0,0,0|1,0,0]=3 1645 B13R1.452 CCN[C@@H](C)c1ccc(cc1)C#N 92aaeaebbabcb6758134f7498bfb8822 [0,2,0,0,0,0|2,0,0]=4 1646 B13R1.452 CCN[C@@H](C)c1ccc(cc1)CO 7e12fd34b13c1c08c92498998d282034 [0,2,0,0,0,0|2,0,0]=4 1647 B13R1.452 CCN[C@@H](C)c1ccc(cc1)OC be8a9016265958a935be29c84a12ecf7 [0,2,0,0,0,0|0,0,0]=2 1648 B13R1.452 CCN[C@@H](C)c1ccc(cc1)SC 654b3cebaaca5308e214200820f725e3 [0,2,0,0,0,0|0,1,0]=3 1649 B13R1.452 CCN[C@@H](C)c1ccc(nc1)OC fc9eb340eb03d60b0c08903c555a1061 [0,2,0,0,0,0|1,0,0]=3 1650 B13R1.452 CCN[C@H](C)c1ccc(cc1)C#N 4eafc3b27a915c18a78e54c34f84d97a [0,2,0,0,0,0|2,0,0]=4 1651 B13R1.452 CCN[C@H](C)c1ccc(cc1)CO 0c0a92a18d7e635d493993de19bed373 [0,2,0,0,0,0|2,0,0]=4 1652 B13R1.452 CCN[C@H](C)c1ccc(cc1)OC d91de09678b239dd7f2635b1c33bed24 [0,2,0,0,0,0|0,0,0]=2 1653 B13R1.452 CCN[C@H](C)c1ccc(cc1)SC 1d83c7e3b47dbb40ae0e88ca2593633b [0,2,0,0,0,0|0,1,0]=3 1654 B13R1.452 CCN[C@H](C)c1ccc(nc1)OC b16712f0a40de38b003c474e6fbca35d [0,2,0,0,0,0|1,0,0]=3 1655 B13R1.452 CCOC(C)c1ccc(cc1)C=O f141ed3ceb43c71abad924b5a0888a12 [0,2,0,0,0,0|2,0,0]=4 1656 B13R1.452 CCOC(C)c1ccc(cc1)CC 0d33c03219dfda06e5af4d3ca05e0c95 [0,2,0,0,0,0|1,0,0]=3 1657 B13R1.452 CCOC(C)c1ccc(cc1)OC 6815227232f6d62e2adb1f96631f2865 [0,2,0,0,0,0|0,0,0]=2 1658 B13R1.452 CCOC(C)c1cnc(nc1)OC f7f653538087c54581174a5e93a15bdd [0,2,0,0,0,0|2,0,0]=4 1659 B13R1.452 CCO[C@@H](C)c1ccc(cc1)OC bdcca3470d37aa2e7256815bdedf6a44 [0,2,0,0,0,0|0,0,0]=2 1660 B13R1.452 CCO[C@H](C)c1ccc(cc1)OC b3e6053607f0fd5e6a1b84492611236d [0,2,0,0,0,0|0,0,0]=2 1661 B13R1.452 CCc1ccc(cc1)C(C)OCF 9b2e4b399c18265b5d5205a0ba5e157a [0,2,0,0,0,0|2,0,0]=4 1662 B13R1.452 COCN(C)c1ccc(cc1)OC 8ce0cb53b0c9bf71013e23b107379c16 [0,2,0,0,0,0|1,0,0]=3 1663 B13R1.452 COCN(C)c1ccc(cc1)SC 64865268b2789fa236eb7c3b320759da [0,2,0,0,0,0|1,1,0]=4 1664 B13R1.452 COCN(C)c1ccc(cn1)OC aa2facd59bae09cd35ed0ea15c726704 [0,2,0,0,0,0|2,0,0]=4 1665 B13R1.452 COCN(C)c1ccc(nc1)OC 4ea5673fdcf6c15df78d4dcef1f69a87 [0,2,0,0,0,0|2,0,0]=4 1666 B13R1.452 COc1ccc(cc1)C(C)NC=O c8ae62a39aa70763e81012ece956898f [0,2,0,0,0,0|1,0,1]=4 1667 B13R1.452 COc1ccc(cc1)C(C)NCF a83bc4c9cad83ac805d78fe341a544ab [0,2,0,0,0,0|1,0,0]=3 1668 B13R1.452 COc1ccc(cc1)C(C)NCO 7a5e094fc120ce1fcd472d52098a4776 [0,2,0,0,0,0|1,0,0]=3 1669 B13R1.452 COc1ccc(cc1)C(C)OCF 74ca4a65b1d0d544c1b93e708ef79eac [0,2,0,0,0,0|1,0,0]=3 1670 B13R1.452 COc1ccc(cc1)N(C)CC#N 7d522924dc692bc4aef7e15582f719ff [0,2,0,0,0,0|1,0,1]=4 1671 B13R1.452 COc1ccc(cc1)N(C)CC=O 72e6bb368849c9cfb445d00305454753 [0,2,0,0,0,0|1,0,1]=4 1672 B13R1.452 COc1ccc(cc1)N(C)CCF a5937622477470d2c98fd4b3d04b2119 [0,2,0,0,0,0|1,0,0]=3 1673 B13R1.452 COc1ccc(cc1)N(C)CCO 437c2c205354fd2e86c742c8ab1d2ca0 [0,2,0,0,0,0|1,0,0]=3 1674 B13R1.452 COc1ccc(cc1)N(C)CCS bb211f80634e0344c53d6f227b870242 [0,2,0,0,0,0|1,0,0]=3 1675 B13R1.452 COc1ccc(cc1)N(C)CSC 5522879bd503793608226619d09d6b93 [0,2,0,0,0,0|1,0,0]=3 1676 B13R1.452 COc1ccc(cc1)[C@@H](C)NC=O 9162d72aa686cb662bd77f11a9e8e3e2 [0,2,0,0,0,0|1,0,1]=4 1677 B13R1.452 COc1ccc(cc1)[C@@H](C)NCF 975879873644c7d0d63cc1e21504da10 [0,2,0,0,0,0|1,0,0]=3 1678 B13R1.452 COc1ccc(cc1)[C@@H](C)NCO db38d244feb4988238d6515c7c61fd64 [0,2,0,0,0,0|1,0,0]=3 1679 B13R1.452 COc1ccc(cc1)[C@@H](C)OCF 1f413372265094a34268fb31188c2b61 [0,2,0,0,0,0|1,0,0]=3 1680 B13R1.452 COc1ccc(cc1)[C@H](C)NC=O 99b3cd220661aa1240085f91f9600f56 [0,2,0,0,0,0|1,0,1]=4 1681 B13R1.452 COc1ccc(cc1)[C@H](C)NCF 5a1f1c0977912134d8ece0fa6fdc1f15 [0,2,0,0,0,0|1,0,0]=3 1682 B13R1.452 COc1ccc(cc1)[C@H](C)NCO 18a0494f682db88de11f449e4f27de19 [0,2,0,0,0,0|1,0,0]=3 1683 B13R1.452 COc1ccc(cc1)[C@H](C)OCF 2236302ecd398ed665aa735ad72bd989 [0,2,0,0,0,0|1,0,0]=3 1684 B13R1.452 COc1ccc(cn1)C(C)NCO fcf10a1203a52cfb12a882d33c56aa3e [0,2,0,0,0,0|2,0,0]=4 1685 B13R1.452 COc1ccc(cn1)N(C)CCO e1a3bc4283b68d699f4545ed67c9a283 [0,2,0,0,0,0|2,0,0]=4 1686 B13R1.452 COc1ccc(cn1)N(C)CCS 4a00d655937cde5f93df74dedbd15e32 [0,2,0,0,0,0|2,0,0]=4 1687 B13R1.452 COc1ccc(cn1)[C@@H](C)NCO 03b0c73b7f50e12e9f997e42ed2bd482 [0,2,0,0,0,0|2,0,0]=4 1688 B13R1.452 COc1ccc(cn1)[C@H](C)NCO 87a7835fb52e043298b47dddc975320e [0,2,0,0,0,0|2,0,0]=4 1689 B13R1.452 COc1ccc(nc1)N(C)CCF 94236d6d41b80799a821e82d49d80d2d [0,2,0,0,0,0|2,0,0]=4 1690 B13R1.452 COc1ccc(nc1)N(C)CCO 8753213c29f1bd9b8ea2ed5d128f0ba0 [0,2,0,0,0,0|2,0,0]=4 1691 B13R1.452 COc1ccc(nc1)N(C)CCS 859344a2976d19d38a96ab976d09a731 [0,2,0,0,0,0|2,0,0]=4 1692 B13R1.452 COc1ccc(nc1)N(C)CSC 486140b040f734b827c3be26e27cd03b [0,2,0,0,0,0|2,0,0]=4 1693 B13R1.452 CSCN(C)c1ccc(cc1)SC 74a70dd35850c7709b1573abef3bbbca [0,2,0,0,0,0|1,1,0]=4 1694 B13R1.452 CSc1ccc(cc1)N(C)CCF 5b694c105fdf838c43870349db93140f [0,2,0,0,0,0|1,1,0]=4 1695 B13R1.452 CSc1ccc(cc1)N(C)CCO e6dff36067c4e04fb433845c509047be [0,2,0,0,0,0|1,1,0]=4 1696 B13R1.452 CSc1ccc(cc1)N(C)CCS d52dc0ff0522112b5b7179f9ac71f3f7 [0,2,0,0,0,0|1,1,0]=4 1697 B13R1.452 CSc1ccc(cc1)[C@@H](C)NCF 56f06704d8572ff9118b376ca655bdaf [0,2,0,0,0,0|1,1,0]=4 1698 B13R1.452 CSc1ccc(cc1)[C@@H](C)NCO 6d2a98ae6da88765a3e965691e17ab9b [0,2,0,0,0,0|1,1,0]=4 1699 B13R1.452 CSc1ccc(cc1)[C@H](C)NCF b477ad50386d5d470b6a6c186c1290e2 [0,2,0,0,0,0|1,1,0]=4 1700 B13R1.452 CSc1ccc(cc1)[C@H](C)NCO 25b979911c7709a1fa73e490afd16af0 [0,2,0,0,0,0|1,1,0]=4 1701 B13R1.537 CCN(C)c1ccc(cc1)C(=O)C 78ddd4c7fae1a16b1e2f19c51d9818c2 [0,2,0,0,0,0|2,0,0]=4 1702 B13R1.3088 CCN(C)c1ccc(c(c1)F)SC 61ddc5c58939955c3be8366dce53fd92 [0,2,0,0,0,0|1,1,0]=4 1703 B13R1.3 C#Cc1ccc(cc1)CNC(C)C e6f0eddd3a5b5bbdc992e93e090dc57e [0,2,0,0,0,0|1,0,1]=4 1704 B13R1.3 C#Cc1ccc(cc1)COC(C)C 0f6668dafcb66fc1759022ebe4e861e7 [0,2,0,0,0,0|1,0,1]=4 1705 B13R1.3 C#Cc1ccc(cc1)NCC(C)C b448a80cca2cbe185fed7e54e440bca7 [0,2,0,0,0,0|1,0,1]=4 1706 B13R1.3 C#Cc1ccc(cc1)NCC(C)O 075d04c148fd390b9a42b121b9a96ca0 [0,2,0,0,0,0|1,0,1]=4 1707 B13R1.3 C#Cc1ccc(cc1)NC[C@H](C)O 4d27c190fe1a02068a9686d28b7a76c7 [0,2,0,0,0,0|1,0,1]=4 1708 B13R1.3 C#Cc1ccc(cc1)OCC(C)C f85caf3e33cf6ef4f5f3f4a05623238d [0,2,0,0,0,0|1,0,1]=4 1709 B13R1.3 C=C(Br)CNc1ccc(cc1)OC b65c427f04c45a43e224ebcff199426b [0,2,0,0,0,0|0,0,2]=4 1710 B13R1.3 C=C(Br)COc1ccc(cc1)OC f7a639c4697a07261de4e077011628a9 [0,2,0,0,0,0|0,0,2]=4 1711 B13R1.3 C=C(C)CNc1ccc(cc1)CC 9ed206ef301164639c695b1e8ae4db01 [0,2,0,0,0,0|1,0,1]=4 1712 B13R1.3 C=C(C)CNc1ccc(cc1)OC 278aba3747fd5ec091b71d871bdb75a6 [0,2,0,0,0,0|0,0,1]=3 1713 B13R1.3 C=C(C)CNc1ccc(cc1)SC d613628ea8e44bda964bdbd1e71f55a5 [0,2,0,0,0,0|0,1,1]=4 1714 B13R1.3 C=C(C)CNc1ccc(cn1)OC a77d56cbb5afad5172887d14d9bc63f9 [0,2,0,0,0,0|1,0,1]=4 1715 B13R1.3 C=C(C)CNc1ccc(nc1)OC e9cbcb45750f5cc0d43093758c8a95f0 [0,2,0,0,0,0|1,0,1]=4 1716 B13R1.3 C=C(C)COc1ccc(cc1)CC ccb6aab4dd6e42622e4a5b17069608c9 [0,2,0,0,0,0|1,0,1]=4 1717 B13R1.3 C=C(C)COc1ccc(cc1)OC 2671c7295ec5c8c545177d5fc6484439 [0,2,0,0,0,0|0,0,1]=3 1718 B13R1.3 C=C(C)COc1ccc(cc1)SC 61e052b8a7d25353b223d1a50c2bd31b [0,2,0,0,0,0|0,1,1]=4 1719 B13R1.3 C=C(C)COc1ccc(cn1)OC ae6260ebb9e772063ece0e296cb48dc6 [0,2,0,0,0,0|1,0,1]=4 1720 B13R1.3 C=C(C)COc1ccc(nc1)OC db080f3852ad8b8ebce20eb8a58e073d [0,2,0,0,0,0|1,0,1]=4 1721 B13R1.3 C=C(Cl)CNc1ccc(cc1)OC 3cacd7ca9f0387def03636cdf7f111d8 [0,2,0,0,0,0|0,0,2]=4 1722 B13R1.3 C=C(Cl)COc1ccc(cc1)OC 7e9718bd1cc17832a5b5eea9648a683e [0,2,0,0,0,0|0,0,2]=4 1723 B13R1.3 C=C(F)CNc1ccc(cc1)OC f8e774b4a1ecfcb343afa233b58ea7b7 [0,2,0,0,0,0|0,0,2]=4 1724 B13R1.3 C=C(F)COc1ccc(cc1)OC 9173617ebd6d67da582aeb94c9350354 [0,2,0,0,0,0|0,0,2]=4 1725 B13R1.3 C=Cc1ccc(cc1)CNC(C)C 36156cd70321a67f6dce4d9b7bffeb2a [0,2,0,0,0,0|1,0,1]=4 1726 B13R1.3 C=Cc1ccc(cc1)COC(C)C 85e2bb35b140ef4f8f0a4b73296ad60d [0,2,0,0,0,0|1,0,1]=4 1727 B13R1.3 C=Cc1ccc(cc1)NCC(C)C 781e5a171ff9a20d32354270e0f893e0 [0,2,0,0,0,0|1,0,1]=4 1728 B13R1.3 C=Cc1ccc(cc1)NCC(C)O 48475e864f8b806c58394d44235ec5f9 [0,2,0,0,0,0|1,0,1]=4 1729 B13R1.3 C=Cc1ccc(cc1)NC[C@@H](C)O a4196b6fc4dcb707318418df43eab182 [0,2,0,0,0,0|1,0,1]=4 1730 B13R1.3 C=Cc1ccc(cc1)NC[C@H](C)O 2d2ae657ba5268e92234ee416a668161 [0,2,0,0,0,0|1,0,1]=4 1731 B13R1.3 C=Cc1ccc(cc1)OCC(C)C 34986f0447a1d8df589cdb05ca8dd96f [0,2,0,0,0,0|1,0,1]=4 1732 B13R1.3 CC(C)CNc1ccc(cc1)C#N 73a3a01fb501dfd0ab27eed96db17441 [0,2,0,0,0,0|2,0,0]=4 1733 B13R1.3 CC(C)CNc1ccc(cc1)C=O 53d7bacb8b11cdad75957b6e67532b07 [0,2,0,0,0,0|2,0,0]=4 1734 B13R1.3 CC(C)CNc1ccc(cc1)CO 475a078da820895fbef270579cdd2330 [0,2,0,0,0,0|2,0,0]=4 1735 B13R1.3 CC(C)COc1ccc(cc1)C#N 4fe0bacc21bc3eb30ffa7dd21031ffa4 [0,2,0,0,0,0|2,0,0]=4 1736 B13R1.3 CC(C)COc1ccc(cc1)C=O 8198abae2efc6ea28144bbd6f6f4c2b6 [0,2,0,0,0,0|2,0,0]=4 1737 B13R1.3 CC(C)COc1ccc(cc1)N=O d4a06c8ac17441d5e97c0940348f1721 [0,2,0,0,0,0|2,0,0]=4 1738 B13R1.3 CC(C)NCc1ccc(cc1)C#N 5f1a2888ef246a0dd3ce103330e0a45e [0,2,0,0,0,0|2,0,0]=4 1739 B13R1.3 CC(C)NCc1ccc(cc1)CBr 398b1249d90b420f415abf4423ebfcd6 [0,2,0,0,0,0|2,0,0]=4 1740 B13R1.3 CC(C)NCc1ccc(cc1)CO 83fc7d492e8eb1f878b070cdf3d4efc9 [0,2,0,0,0,0|2,0,0]=4 1741 B13R1.3 CC(C)OCc1ccc(cc1)C#N 8e5521a00da548fbeeadb0403744d151 [0,2,0,0,0,0|2,0,0]=4 1742 B13R1.3 CC(C)OCc1ccc(cc1)C=O 3dc828b0457d8cfec1ad59575e96f3a7 [0,2,0,0,0,0|2,0,0]=4 1743 B13R1.3 CC(O)CNc1ccc(cc1)C#N 10383af6b3689499de9dd431322cf027 [0,2,0,0,0,0|2,0,0]=4 1744 B13R1.3 CC(O)CNc1ccc(cc1)C=O 69f54016a0f9320b809f4e403c041bb2 [0,2,0,0,0,0|2,0,0]=4 1745 B13R1.3 CC(O)CNc1ccc(cc1)CO c7438cbe6f026157f9007455221fe498 [0,2,0,0,0,0|2,0,0]=4 1746 B13R1.3 CCc1ccc(cc1)CNC(=O)C 0de70501c83fb93029a3c40b9e1e9104 [0,2,0,0,0,0|1,0,1]=4 1747 B13R1.3 CCc1ccc(cc1)CNC(C)C b9c2f38bc6cd20d970d94f64e93c67b1 [0,2,0,0,0,0|1,0,0]=3 1748 B13R1.3 CCc1ccc(cc1)COC(C)C 827f94870fd24c10258aa66fde5c5351 [0,2,0,0,0,0|1,0,0]=3 1749 B13R1.3 CCc1ccc(cc1)NCC(=O)C 1a84292d9cbe7823b94b324af7dbbdcd [0,2,0,0,0,0|1,0,1]=4 1750 B13R1.3 CCc1ccc(cc1)NCC(C)C e30c6bf49e3ffe79224312d78baf9dbe [0,2,0,0,0,0|1,0,0]=3 1751 B13R1.3 CCc1ccc(cc1)NCC(C)O 5c121082b45c312f16f367c15e7213c1 [0,2,0,0,0,0|1,0,0]=3 1752 B13R1.3 CCc1ccc(cc1)NCC(F)F e03b3f82f2683ba8359aa6b2345d9009 [0,2,0,0,0,0|2,0,0]=4 1753 B13R1.3 CCc1ccc(cc1)NCN(C)C 20781c2f3202e3a0a84f69df72f771ef [0,2,0,0,0,0|2,0,0]=4 1754 B13R1.3 CCc1ccc(cc1)NC[C@H](C)O 36a988bc8fce4abe359ab411c66de960 [0,2,0,0,0,0|1,0,0]=3 1755 B13R1.3 CCc1ccc(cc1)OCC(C)C f97007c9dd123abfb4a58b8449aebe77 [0,2,0,0,0,0|1,0,0]=3 1756 B13R1.3 CCc1ccc(cc1)OCC(F)F 31dd3bc996c56a14a62955bad3b02d06 [0,2,0,0,0,0|2,0,0]=4 1757 B13R1.3 CCc1ccc(cc1)OCN(C)C d8d48901da69959a1d55fd66bf415a31 [0,2,0,0,0,0|2,0,0]=4 1758 B13R1.3 CCc1ccc(cn1)NCC(C)C 76a4718cea32f9816a5f98906064e438 [0,2,0,0,0,0|2,0,0]=4 1759 B13R1.3 CCc1ccc(cn1)NCC(C)O f8ae3f2ac734fa4f619cca5eb642eab5 [0,2,0,0,0,0|2,0,0]=4 1760 B13R1.3 CCc1ccc(cn1)NC[C@@H](C)O b3b948875036727a7514248ebe8c59a0 [0,2,0,0,0,0|2,0,0]=4 1761 B13R1.3 CCc1ccc(cn1)NC[C@H](C)O 8a18bb469bff0e8e171ea82709752043 [0,2,0,0,0,0|2,0,0]=4 1762 B13R1.3 CCc1ccc(nc1)COC(C)C dd41f85ccc49ade4f10811e197594ecc [0,2,0,0,0,0|2,0,0]=4 1763 B13R1.3 CCc1ccc(nc1)NCC(C)C c73d385969ec91fb2d5798f1fe69de56 [0,2,0,0,0,0|2,0,0]=4 1764 B13R1.3 CCc1ccc(nc1)NCC(C)O 7a618fc8327c5a5e178237b5c71d4026 [0,2,0,0,0,0|2,0,0]=4 1765 B13R1.3 CCc1ccc(nc1)NC[C@H](C)O d84eee14332ef30805b544eebe159d2c [0,2,0,0,0,0|2,0,0]=4 1766 B13R1.3 CCc1ccc(nc1)OCC(C)C 7846f8a2977c258000037e4840b03603 [0,2,0,0,0,0|2,0,0]=4 1767 B13R1.3 COc1ccc(cc1)CNC(=O)C 0ae4191e6a57cf908d08bd6b0270fc1f [0,2,0,0,0,0|0,0,1]=3 1768 B13R1.3 COc1ccc(cc1)CNC(C)C 3fbab2f6fdf968d7c6962002435840ea [0,2,0,0,0,0|0,0,0]=2 1769 B13R1.3 COc1ccc(cc1)COC(C)C 544cb0beac466d1fe5b9a011f927534f [0,2,0,0,0,0|0,0,0]=2 1770 B13R1.3 COc1ccc(cc1)NCC(=O)C 2abbd8e10197213a2d1ab0d62a4a5afc [0,2,0,0,0,0|0,0,1]=3 1771 B13R1.3 COc1ccc(cc1)NCC(=O)N 243506660824dd70092e9d96311ee4ee [0,2,0,0,0,0|1,0,1]=4 1772 B13R1.3 COc1ccc(cc1)NCC(=O)O 58c156ba556e58cf45877ed057561ab5 [0,2,0,0,0,0|1,0,1]=4 1773 B13R1.3 COc1ccc(cc1)NCC(C)C 59d476837cb9437d0f607ea9cdf30362 [0,2,0,0,0,0|0,0,0]=2 1774 B13R1.3 COc1ccc(cc1)NCC(C)O dce8ae518910c8f314a95ae16fbfd582 [0,2,0,0,0,0|0,0,0]=2 1775 B13R1.3 COc1ccc(cc1)NCC(F)F 8daf0b48eff97f291f4388eb392502f6 [0,2,0,0,0,0|1,0,0]=3 1776 B13R1.3 COc1ccc(cc1)NCN(C)C a4e423d4246afd846024c8b1071bb922 [0,2,0,0,0,0|1,0,0]=3 1777 B13R1.3 COc1ccc(cc1)NC[C@@H](C)O 5e65c1a3c47c608fd9ff63e8a5e61da4 [0,2,0,0,0,0|0,0,0]=2 1778 B13R1.3 COc1ccc(cc1)NC[C@H](C)O 72635981a91f27c0fac816f03c0dd769 [0,2,0,0,0,0|0,0,0]=2 1779 B13R1.3 COc1ccc(cc1)NC[N+](=O)[O-] 5f3de3f6cc149e0e804f5242eda9b89d [0,2,0,0,0,0|2,0,0]=4 1780 B13R1.3 COc1ccc(cc1)OCC(=O)N b940e813c8faef38d4fdb9b4674bde52 [0,2,0,0,0,0|1,0,1]=4 1781 B13R1.3 COc1ccc(cc1)OCC(=O)O bc90f75f0c313bf6764049d33e1db235 [0,2,0,0,0,0|1,0,1]=4 1782 B13R1.3 COc1ccc(cc1)OCC(C)C 702223f0df1fa37a2ba27c84ba97d5c6 [0,2,0,0,0,0|0,0,0]=2 1783 B13R1.3 COc1ccc(cc1)OCC(F)F 265f5ad3253b62a2e852c4960d97a149 [0,2,0,0,0,0|1,0,0]=3 1784 B13R1.3 COc1ccc(cc1)OCN(C)C aa4925969b79c22f87c684885517e82c [0,2,0,0,0,0|1,0,0]=3 1785 B13R1.3 COc1ccc(cc1)OC[N+](=O)[O-] 352f9366fb388ed2841cfc6e5ba282bc [0,2,0,0,0,0|2,0,0]=4 1786 B13R1.3 COc1ccc(cn1)CNC(=O)C 4beaffffb405fbbb2974459ee92cc348 [0,2,0,0,0,0|1,0,1]=4 1787 B13R1.3 COc1ccc(cn1)CNC(C)C a98e465f591e06d13f11607fb4d6d29d [0,2,0,0,0,0|1,0,0]=3 1788 B13R1.3 COc1ccc(cn1)COC(C)C 3529d5f278bc06bb6214a347dde30706 [0,2,0,0,0,0|1,0,0]=3 1789 B13R1.3 COc1ccc(cn1)NCC(=O)C e3685957e254ed191d0a0c86e1987264 [0,2,0,0,0,0|1,0,1]=4 1790 B13R1.3 COc1ccc(cn1)NCC(C)C 4987c50ef3b0db340e8d82d393431003 [0,2,0,0,0,0|1,0,0]=3 1791 B13R1.3 COc1ccc(cn1)NCC(C)O 9b480d891dd8b05323bdb7b919f8dd69 [0,2,0,0,0,0|1,0,0]=3 1792 B13R1.3 COc1ccc(cn1)NCC(F)F 3f65f917ddb2a817a15edecc5e463d79 [0,2,0,0,0,0|2,0,0]=4 1793 B13R1.3 COc1ccc(cn1)NCN(C)C 99e139290ff3ba08d7ca3b6bcefb9c2b [0,2,0,0,0,0|2,0,0]=4 1794 B13R1.3 COc1ccc(cn1)NC[C@@H](C)O 2dd69abdc0bfe0bec26b9640636fd334 [0,2,0,0,0,0|1,0,0]=3 1795 B13R1.3 COc1ccc(cn1)NC[C@H](C)O 9e519456111042fa44f9ac01726bace7 [0,2,0,0,0,0|1,0,0]=3 1796 B13R1.3 COc1ccc(cn1)OCC(C)C eff22c2d0f309837dfb8a85a1a5666a5 [0,2,0,0,0,0|1,0,0]=3 1797 B13R1.3 COc1ccc(cn1)OCC(F)F 2a083e8ef986f880b8c25699e731f083 [0,2,0,0,0,0|2,0,0]=4 1798 B13R1.3 COc1ccc(cn1)OCN(C)C f77969ceec6703aad6929401e6090f53 [0,2,0,0,0,0|2,0,0]=4 1799 B13R1.3 COc1ccc(nc1)CNC(=O)C b7b812385f1be459c9374618b89602bd [0,2,0,0,0,0|1,0,1]=4 1800 B13R1.3 COc1ccc(nc1)CNC(C)C 2d4a26a2dfc650ddfb16bcbe854cd776 [0,2,0,0,0,0|1,0,0]=3 1801 B13R1.3 COc1ccc(nc1)COC(C)C 7fb8febb786f7c5ad6ecb32c4e950cad [0,2,0,0,0,0|1,0,0]=3 1802 B13R1.3 COc1ccc(nc1)NCC(=O)C bb845bc853bca50314471ccbb952b341 [0,2,0,0,0,0|1,0,1]=4 1803 B13R1.3 COc1ccc(nc1)NCC(C)C be699ab43350063468592bb80e5fcb6f [0,2,0,0,0,0|1,0,0]=3 1804 B13R1.3 COc1ccc(nc1)NCC(C)O c8f2e89b38797414238836ecc1186b08 [0,2,0,0,0,0|1,0,0]=3 1805 B13R1.3 COc1ccc(nc1)NCC(F)F 2bdbdec53f8914922f400132cca74d97 [0,2,0,0,0,0|2,0,0]=4 1806 B13R1.3 COc1ccc(nc1)NCN(C)C 37632c539d03e2ee236d842b29dc373a [0,2,0,0,0,0|2,0,0]=4 1807 B13R1.3 COc1ccc(nc1)NC[C@@H](C)O 92cf09f9b429a355f4fcaa5c43156bcb [0,2,0,0,0,0|1,0,0]=3 1808 B13R1.3 COc1ccc(nc1)NC[C@H](C)O 913651b29e3e0e7491d923adb7f8dc54 [0,2,0,0,0,0|1,0,0]=3 1809 B13R1.3 COc1ccc(nc1)OCC(C)C 3346b4efdcafeed59e8b614b4502cae8 [0,2,0,0,0,0|1,0,0]=3 1810 B13R1.3 COc1ccc(nc1)OCC(F)F f94739cd55a0113a2cf3216bc8b95bef [0,2,0,0,0,0|2,0,0]=4 1811 B13R1.3 COc1ccc(nc1)OCN(C)C 8182402757be3f90feadb6d2c3939efc [0,2,0,0,0,0|2,0,0]=4 1812 B13R1.3 COc1ccc(nn1)CNC(C)C 3c68f97f604124310b3ac062b26fe0f1 [0,2,0,0,0,0|2,0,0]=4 1813 B13R1.3 COc1ccc(nn1)COC(C)C b6511cb2d3f2ff1cfe9933fb45f56b80 [0,2,0,0,0,0|2,0,0]=4 1814 B13R1.3 COc1ccc(nn1)NCC(C)C 23e1490a0fadf1141497ac575cb94ff0 [0,2,0,0,0,0|2,0,0]=4 1815 B13R1.3 COc1ccc(nn1)NCC(C)O c34bcef93fd256013614eac010fa1b3e [0,2,0,0,0,0|2,0,0]=4 1816 B13R1.3 COc1ccc(nn1)NC[C@H](C)O cbc60c94060511c7686fdef3357bfac9 [0,2,0,0,0,0|2,0,0]=4 1817 B13R1.3 COc1cnc(cn1)COC(C)C 859afe7af7bea4cb2aa9a4c958328bfe [0,2,0,0,0,0|2,0,0]=4 1818 B13R1.3 COc1cnc(cn1)NCC(C)C 40fe3ae1fd17d94e238f8f99a2ad0265 [0,2,0,0,0,0|2,0,0]=4 1819 B13R1.3 COc1cnc(cn1)NCC(C)O 5ee746684cfa41e44f064eaea1065ece [0,2,0,0,0,0|2,0,0]=4 1820 B13R1.3 COc1cnc(cn1)NC[C@@H](C)O 2f22c52045d525ace3842095f6780df7 [0,2,0,0,0,0|2,0,0]=4 1821 B13R1.3 COc1cnc(cn1)NC[C@H](C)O 1e08642c57ee509b22021f5b09b0cd8a [0,2,0,0,0,0|2,0,0]=4 1822 B13R1.3 COc1cnc(nc1)COC(C)C a316aff56efc7a5a34ece19155af46f6 [0,2,0,0,0,0|2,0,0]=4 1823 B13R1.3 COc1cnc(nc1)NCC(C)C 17b6a5cc0582bae7650dd14a478b3166 [0,2,0,0,0,0|2,0,0]=4 1824 B13R1.3 COc1cnc(nc1)NCC(C)O 70ce4c9678880d2cfc2d9896ec8d9a49 [0,2,0,0,0,0|2,0,0]=4 1825 B13R1.3 COc1cnc(nc1)NC[C@@H](C)O 0b18420efa4807d860a8c356176edba5 [0,2,0,0,0,0|2,0,0]=4 1826 B13R1.3 COc1cnc(nc1)NC[C@H](C)O 229342c5d8091d71f210787df2eda5d2 [0,2,0,0,0,0|2,0,0]=4 1827 B13R1.3 COc1ncc(cn1)CNC(C)C 236dd6888ba8e2f48846c5051ca42026 [0,2,0,0,0,0|2,0,0]=4 1828 B13R1.3 COc1ncc(cn1)COC(C)C 89b2a04f3b7ce36da9f9e2326cf8be2a [0,2,0,0,0,0|2,0,0]=4 1829 B13R1.3 COc1ncc(cn1)NCC(C)C 1d0b1d0943f594f3e672999c460a638c [0,2,0,0,0,0|2,0,0]=4 1830 B13R1.3 COc1ncc(cn1)NCC(C)O 3d6b3620309e3b0be9fe32c161146d8d [0,2,0,0,0,0|2,0,0]=4 1831 B13R1.3 COc1ncc(cn1)NC[C@H](C)O 8fca65c8ae5e81fb7cb85907a35286b5 [0,2,0,0,0,0|2,0,0]=4 1832 B13R1.3 COc1ncc(cn1)OCC(C)C 7f5743d093ef50e74f33ef25a75712e5 [0,2,0,0,0,0|2,0,0]=4 1833 B13R1.3 CSc1ccc(cc1)CNC(=O)C 1379b8b252ee6830669f69ec5b24d560 [0,2,0,0,0,0|0,1,1]=4 1834 B13R1.3 CSc1ccc(cc1)CNC(C)C 06d944333356b173a767d044193301c1 [0,2,0,0,0,0|0,1,0]=3 1835 B13R1.3 CSc1ccc(cc1)COC(C)C 3edb920351d9bedc07b37dfcc2842c1e [0,2,0,0,0,0|0,1,0]=3 1836 B13R1.3 CSc1ccc(cc1)NCC(=O)C 84e6d9673d665b52c2412e178bd9d3a6 [0,2,0,0,0,0|0,1,1]=4 1837 B13R1.3 CSc1ccc(cc1)NCC(C)C f4acb69e5e3c22ed6095ed3eea326cfc [0,2,0,0,0,0|0,1,0]=3 1838 B13R1.3 CSc1ccc(cc1)NCC(C)O e8d93933ba5916d99afb8c783ed5b150 [0,2,0,0,0,0|0,1,0]=3 1839 B13R1.3 CSc1ccc(cc1)NCC(F)F 4ded3715f570b2760a528a4d30a6e5d3 [0,2,0,0,0,0|1,1,0]=4 1840 B13R1.3 CSc1ccc(cc1)NCN(C)C d23488c185b70709fa4a132f33be1644 [0,2,0,0,0,0|1,1,0]=4 1841 B13R1.3 CSc1ccc(cc1)NC[C@@H](C)O 19d5f2c32f572899f2f5f560e3458cc9 [0,2,0,0,0,0|0,1,0]=3 1842 B13R1.3 CSc1ccc(cc1)NC[C@H](C)O 46cd0ba4daa889017aec14b40c66ff28 [0,2,0,0,0,0|0,1,0]=3 1843 B13R1.3 CSc1ccc(cc1)OCC(C)C 214d475302763d1a9483c75a9a786470 [0,2,0,0,0,0|0,1,0]=3 1844 B13R1.3 CSc1ccc(cc1)OCC(F)F bad6ad31ae40ddb11d69dfe6cd7bb3e3 [0,2,0,0,0,0|1,1,0]=4 1845 B13R1.3 CSc1ccc(cc1)OCN(C)C 5f3233e561fc6951fe7d87295eb44a73 [0,2,0,0,0,0|1,1,0]=4 1846 B13R1.3 CSc1ccc(cn1)COC(C)C f2d39e7d30391c20e8dcb33d689ef312 [0,2,0,0,0,0|1,1,0]=4 1847 B13R1.3 CSc1ccc(cn1)NCC(C)C c56d5e2b4344f50b998023d188a9caa6 [0,2,0,0,0,0|1,1,0]=4 1848 B13R1.3 CSc1ccc(cn1)NCC(C)O 5baa86b082a1cbb129856ff4d2c5a552 [0,2,0,0,0,0|1,1,0]=4 1849 B13R1.3 CSc1ccc(cn1)NC[C@@H](C)O 1106a4ff0e15faae4acb1fb070020ec6 [0,2,0,0,0,0|1,1,0]=4 1850 B13R1.3 CSc1ccc(cn1)NC[C@H](C)O cac0848f1baa0a27ef9cba809c380012 [0,2,0,0,0,0|1,1,0]=4 1851 B13R1.3 CSc1ccc(cn1)OCC(C)C 7d77ff390ce7a7c2f64ceedc7dc2dd44 [0,2,0,0,0,0|1,1,0]=4 1852 B13R1.3 CSc1ccc(nc1)NCC(C)C 70b2765c41d0ab92d7faaf1b7f488bc8 [0,2,0,0,0,0|1,1,0]=4 1853 B13R1.3 CSc1ccc(nc1)NCC(C)O c15b76f3581a40570dfc4ee7fb247ec5 [0,2,0,0,0,0|1,1,0]=4 1854 B13R1.3 CSc1ccc(nc1)NC[C@H](C)O b5676624f1df5abbb334ca52e64d5775 [0,2,0,0,0,0|1,1,0]=4 1855 B13R1.3 C[C@@H](O)CNc1ccc(cc1)C=O f7c74193d876da0824b587bf4dfa26ea [0,2,0,0,0,0|2,0,0]=4 1856 B13R1.3 C[C@@H](O)CNc1ccc(cc1)CO 5ac4b480311b32da800dddd95b36c1ce [0,2,0,0,0,0|2,0,0]=4 1857 B13R1.3 C[C@H](O)CNc1ccc(cc1)C#N 3dc3281e155433b4bd47977774e02192 [0,2,0,0,0,0|2,0,0]=4 1858 B13R1.3 C[C@H](O)CNc1ccc(cc1)C=O f75111789d576b9b2a297e94bf155039 [0,2,0,0,0,0|2,0,0]=4 1859 B13R1.3 C[C@H](O)CNc1ccc(cc1)CO a7fb5a420254531c29ee8e84f459ddac [0,2,0,0,0,0|2,0,0]=4 1860 B13R1.74 C=C(C)c1ccc(cc1)NCCC 6684ff007ab9589e4665afa6c7df4ab1 [0,2,0,0,0,0|1,0,0]=3 1861 B13R1.74 C=C(C)c1ccc(cc1)NCCO 746565fbe8e85f9b50441872d2bcc065 [0,2,0,0,0,0|2,0,0]=4 1862 B13R1.74 C=C(C)c1ccc(cc1)NCCS 12be0229e96f9eab129f916420676f30 [0,2,0,0,0,0|2,0,0]=4 1863 B13R1.74 C=C(C)c1ccc(cc1)OCCC e4ca3973b4e87d52f366a8116b0e2436 [0,2,0,0,0,0|1,0,0]=3 1864 B13R1.74 C=C(C)c1ccc(cc1)OCCF d21ca946a99cb88fbacefbef36e80283 [0,2,0,0,0,0|2,0,0]=4 1865 B13R1.74 C=C(C)c1ccc(cc1)OCCS a8aa5d9e896bbf05acd4d0725c16c7a4 [0,2,0,0,0,0|2,0,0]=4 1866 B13R1.74 C=C(C)c1ccc(cc1)OCOC 825a08b964a011a21d79b938dfd009d1 [0,2,0,0,0,0|2,0,0]=4 1867 B13R1.74 C=C(C)c1ccc(cc1)OCSC b606baf253796536d02a1f431ed182be [0,2,0,0,0,0|2,0,0]=4 1868 B13R1.74 CC(=O)c1ccc(cc1)CNCF 5e30e3a8d29971dd68336c1ab0b13bee [0,2,0,0,0,0|2,0,0]=4 1869 B13R1.74 CC(=O)c1ccc(cc1)CNCO eb49656758941d4d0cee2310b5dba6a3 [0,2,0,0,0,0|2,0,0]=4 1870 B13R1.74 CC(=O)c1ccc(cc1)COCF e41d6fc38f587d02c1023fea92505d15 [0,2,0,0,0,0|2,0,0]=4 1871 B13R1.74 CC(=O)c1ccc(cc1)NCCBr 74067c63759f8a0d78814af42e8418ca [0,2,0,0,0,0|2,0,0]=4 1872 B13R1.74 CC(=O)c1ccc(cc1)NCCF a7de61881c3e14e4d08de90e96ad0522 [0,2,0,0,0,0|2,0,0]=4 1873 B13R1.74 CC(=O)c1ccc(cc1)NCCI cf549424c8721f33eba0b70b04102859 [0,2,0,0,0,0|2,0,0]=4 1874 B13R1.74 CC(=O)c1ccc(cc1)NCCO eb72d3f4d8e76f85277f46262dfeb510 [0,2,0,0,0,0|2,0,0]=4 1875 B13R1.74 CC(=O)c1ccc(cc1)NCCS 195a1aec0c157b898c2b0a7062fc9b2b [0,2,0,0,0,0|2,0,0]=4 1876 B13R1.74 CC(=O)c1ccc(cc1)OCCF a38094576ca24a239a6a43065a00c8a1 [0,2,0,0,0,0|2,0,0]=4 1877 B13R1.74 CC(=O)c1ccc(cc1)OCCS 8d76ecb6864298fddbf1204faea6e67a [0,2,0,0,0,0|2,0,0]=4 1878 B13R1.74 CC(C)c1ccc(cc1)CNCF 5f58f8227edd5b2d10d44a6ca8899a62 [0,2,0,0,0,0|2,0,0]=4 1879 B13R1.74 CC(C)c1ccc(cc1)CNCO 4f5dbe496523795c988bade0fd78a93c [0,2,0,0,0,0|2,0,0]=4 1880 B13R1.74 CC(C)c1ccc(cc1)COCF dc8310b91f94ad0f39c48dc8820fe858 [0,2,0,0,0,0|2,0,0]=4 1881 B13R1.74 CC(C)c1ccc(cc1)NCCF 3f9935f6d93539e549803045b4f7f4d8 [0,2,0,0,0,0|2,0,0]=4 1882 B13R1.74 CC(C)c1ccc(cc1)NCCO aab2a52411e036ca45c727d2c833e542 [0,2,0,0,0,0|2,0,0]=4 1883 B13R1.74 CC(C)c1ccc(cc1)NCCS eff4f772e457caedca7166856cfd5815 [0,2,0,0,0,0|2,0,0]=4 1884 B13R1.74 CC(C)c1ccc(cc1)OCCF 72cb1f735387895734d6fc9a2f36b2a7 [0,2,0,0,0,0|2,0,0]=4 1885 B13R1.74 CC(C)c1ccc(cc1)OCCS 1bb2efaef61ab3d76d9f18c04535d735 [0,2,0,0,0,0|2,0,0]=4 1886 B13R1.74 CC(O)c1ccc(cc1)CNCF 9cec1f18bc77b8a4f0966c87bee48b26 [0,2,0,0,0,0|2,0,0]=4 1887 B13R1.74 CC(O)c1ccc(cc1)CNCO 07138cea099af85ab7b20b35c1cf65c6 [0,2,0,0,0,0|2,0,0]=4 1888 B13R1.74 CC(O)c1ccc(cc1)NCCBr 01e948c0838576c56f8a8ef14ba2d5a8 [0,2,0,0,0,0|2,0,0]=4 1889 B13R1.74 CC(O)c1ccc(cc1)NCCF 3646693b3ee4fb4204fb256440b16535 [0,2,0,0,0,0|2,0,0]=4 1890 B13R1.74 CC(O)c1ccc(cc1)NCCI 4bd262f1289754341c454ac0181443e4 [0,2,0,0,0,0|2,0,0]=4 1891 B13R1.74 CC(O)c1ccc(cc1)NCCO 34a84a3db305ece65d6c4340a8ca8c9f [0,2,0,0,0,0|2,0,0]=4 1892 B13R1.74 CC(O)c1ccc(cc1)NCCS ae9027915de18108d708788d320773dc [0,2,0,0,0,0|2,0,0]=4 1893 B13R1.74 CCCNc1ccc(cc1)C(=O)C 39413f4bd6a6db1cd248539f1edbe892 [0,2,0,0,0,0|1,0,0]=3 1894 B13R1.74 CCCNc1ccc(cc1)C(=O)F 7d154912fb6bc5cedf59dea75b9cc215 [0,2,0,0,0,0|2,0,0]=4 1895 B13R1.74 CCCNc1ccc(cc1)C(=O)N 5a65257390655fcc38ef55db6c0f96db [0,2,0,0,0,0|2,0,0]=4 1896 B13R1.74 CCCNc1ccc(cc1)C(=O)O 868a160865f470bb9b5f7bc714336ce9 [0,2,0,0,0,0|2,0,0]=4 1897 B13R1.74 CCCNc1ccc(cc1)C(=S)N 4bce50e61d91b541d18eb03d6da00dc8 [0,2,0,0,0,0|2,0,0]=4 1898 B13R1.74 CCCNc1ccc(cc1)C(=S)S e26d40707735a93b88e197407d3ddc8d [0,2,0,0,0,0|2,0,0]=4 1899 B13R1.74 CCCNc1ccc(cc1)C(C)C deff397f206f70d04a690ec4f87eb40e [0,2,0,0,0,0|1,0,0]=3 1900 B13R1.74 CCCNc1ccc(cc1)C(C)O 9d81506053dfd2dd1f53863dcf88b6e3 [0,2,0,0,0,0|1,0,0]=3 1901 B13R1.74 CCCNc1ccc(cc1)N(C)C 38b02559a918259d66aa709da1de9d04 [0,2,0,0,0,0|1,0,0]=3 1902 B13R1.74 CCCNc1ccc(cc1)S(=O)C ad24d422c67b05a7416bd49eede7a64e [0,2,0,0,0,0|0,1,0]=3 1903 B13R1.74 CCCNc1ccc(cc1)S(=O)O 91685979604ce115573faa461683a3f3 [0,2,0,0,0,0|1,1,0]=4 1904 B13R1.74 CCCNc1ccc(cc1)[C@@H](C)O 67471f6338dbf58e5d04f19b91ea5c0b [0,2,0,0,0,0|1,0,0]=3 1905 B13R1.74 CCCNc1ccc(cc1)[C@H](C)O f76540dd174403175fb8687b3961c63b [0,2,0,0,0,0|1,0,0]=3 1906 B13R1.74 CCCNc1ccc(cc1)[N+](=O)[O-] 0b7acd12bc0c4479061504370fe2f604 [0,2,0,0,0,0|2,0,0]=4 1907 B13R1.74 CCCNc1ccc(cn1)C(=O)C 32879ba82a31519132c027be2ef23997 [0,2,0,0,0,0|2,0,0]=4 1908 B13R1.74 CCCNc1ccc(cn1)C(C)C 36b0d486a9bf577edf84c51765402a99 [0,2,0,0,0,0|2,0,0]=4 1909 B13R1.74 CCCNc1ccc(cn1)N(C)C 6babfbe723eddc73e32608e843267ea7 [0,2,0,0,0,0|2,0,0]=4 1910 B13R1.74 CCCNc1ccc(nc1)C(=O)C 72767a3d22e28c35891b78da97103d1a [0,2,0,0,0,0|2,0,0]=4 1911 B13R1.74 CCCNc1ccc(nc1)C(C)C 7ef405aae4fae1e747d563dbd11cf13e [0,2,0,0,0,0|2,0,0]=4 1912 B13R1.74 CCCNc1ccc(nc1)N(C)C 10c1eb58355ee2edfd17db61ab2e98e7 [0,2,0,0,0,0|2,0,0]=4 1913 B13R1.74 CCCOc1ccc(cc1)C(=O)C ddacf903b5cf7b48b602ba0d6d5aa87b [0,2,0,0,0,0|1,0,0]=3 1914 B13R1.74 CCCOc1ccc(cc1)C(=O)N 7ef5350bd5ce46f6e6f4ca1eb42002dc [0,2,0,0,0,0|2,0,0]=4 1915 B13R1.74 CCCOc1ccc(cc1)C(=O)O e68121feee9f21b9af7589846e85cba4 [0,2,0,0,0,0|2,0,0]=4 1916 B13R1.74 CCCOc1ccc(cc1)C(=S)N 7c3e6bfde24f4b7565bcff482b15f9a1 [0,2,0,0,0,0|2,0,0]=4 1917 B13R1.74 CCCOc1ccc(cc1)C(C)C f728ec32cf4795dcc158b2fe7644b8a9 [0,2,0,0,0,0|1,0,0]=3 1918 B13R1.74 CCCOc1ccc(cc1)N(C)C 7baa85390e8accc4447fa60f7e0f7f19 [0,2,0,0,0,0|1,0,0]=3 1919 B13R1.74 CCCOc1ccc(cc1)S(=O)C e2bbd4b5eb19330ad7bade155c58f94e [0,2,0,0,0,0|0,1,0]=3 1920 B13R1.74 CCCOc1ccc(cc1)[N+](=O)[O-] c15fa818f2169c6dc913334464cb111e [0,2,0,0,0,0|2,0,0]=4 1921 B13R1.74 CCCOc1ccc(cn1)C(=O)C c5504020ec11fbfd1f17cf2f8f2dcc0d [0,2,0,0,0,0|2,0,0]=4 1922 B13R1.74 CCCOc1ccc(nc1)C(=O)C e0248a4c74241339890e782152125824 [0,2,0,0,0,0|2,0,0]=4 1923 B13R1.74 CCCOc1ccc(nc1)C(C)C 8c60de9b2d26661f05d58c2e4d6dbed3 [0,2,0,0,0,0|2,0,0]=4 1924 B13R1.74 CCCOc1ccc(nc1)N(C)C 4edc0990a8698a5446da935f3e0c6266 [0,2,0,0,0,0|2,0,0]=4 1925 B13R1.74 CCNCc1ccc(cc1)C(=O)C 1b713442669e77b96d93391a7dd9da4a [0,2,0,0,0,0|1,0,0]=3 1926 B13R1.74 CCNCc1ccc(cc1)C(=O)N bf6f8577b2ee97f271047f4351ed2302 [0,2,0,0,0,0|2,0,0]=4 1927 B13R1.74 CCNCc1ccc(cc1)C(=O)O 3d4e00a10787ded655df67774d9e0747 [0,2,0,0,0,0|2,0,0]=4 1928 B13R1.74 CCNCc1ccc(cc1)C(C)C fe5d90905543c2b950304dbc4f0bbc09 [0,2,0,0,0,0|1,0,0]=3 1929 B13R1.74 CCNCc1ccc(cc1)C(C)O 448d06a2ded29bf7d49917cacbe5a350 [0,2,0,0,0,0|1,0,0]=3 1930 B13R1.74 CCNCc1ccc(cc1)C(F)F 092c590c72effa20233c496875cfa183 [0,2,0,0,0,0|2,0,0]=4 1931 B13R1.74 CCNCc1ccc(cc1)N(C)C c08b9a7793dda7d3980f8cd2755a2213 [0,2,0,0,0,0|1,0,0]=3 1932 B13R1.74 CCNCc1ccc(cc1)[N+](=O)[O-] 76797adb7c0d5578e5a724d1256fb678 [0,2,0,0,0,0|2,0,0]=4 1933 B13R1.74 CCNCc1ccc(nc1)N(C)C cf71d040df772d2ccb89eb5bdaf85494 [0,2,0,0,0,0|2,0,0]=4 1934 B13R1.74 CCOCc1ccc(cc1)C(=O)C 1d0889c2f8ff6e19a8ebb26c399db3c8 [0,2,0,0,0,0|1,0,0]=3 1935 B13R1.74 CCOCc1ccc(cc1)C(=O)N 1b434b3ec31c8fc4b24f847c0378a1fb [0,2,0,0,0,0|2,0,0]=4 1936 B13R1.74 CCOCc1ccc(cc1)C(=O)O 22c7a37e8096d83bc2261f3fc9014a61 [0,2,0,0,0,0|2,0,0]=4 1937 B13R1.74 CCOCc1ccc(cc1)C(C)C 747ef3d1399927eed4934abfa9f177f1 [0,2,0,0,0,0|1,0,0]=3 1938 B13R1.74 CCOCc1ccc(cc1)C(F)F 166de6d876f8c325fe168fd9f3847ec7 [0,2,0,0,0,0|2,0,0]=4 1939 B13R1.74 CCOCc1ccc(cc1)N(C)C d62d54f7ff4b97e30a830c3b192113ec [0,2,0,0,0,0|1,0,0]=3 1940 B13R1.74 CCOCc1ccc(cc1)[N+](=O)[O-] a4d149afcf1be672ed94a93b58fbe514 [0,2,0,0,0,0|2,0,0]=4 1941 B13R1.74 CCOCc1ccc(cn1)C(C)C 94dee52496ab3ee6bcee4fa4de0c233f [0,2,0,0,0,0|2,0,0]=4 1942 B13R1.74 CCOCc1ccc(nc1)C(C)C ae97b3183670140dd74ef28f735ab699 [0,2,0,0,0,0|2,0,0]=4 1943 B13R1.74 CCOCc1ccc(nc1)N(C)C 48bd8642a51fc226f12f8bb370ea6776 [0,2,0,0,0,0|2,0,0]=4 1944 B13R1.74 CN(C)c1ccc(cc1)CNCF 4bcf5337b92661696e331e322bf6829f [0,2,0,0,0,0|2,0,0]=4 1945 B13R1.74 CN(C)c1ccc(cc1)CNCO 203c8a802d179687fb6df46102d95f4d [0,2,0,0,0,0|2,0,0]=4 1946 B13R1.74 CN(C)c1ccc(cc1)COCF 32b38b22324d749653b6c44b41af224b [0,2,0,0,0,0|2,0,0]=4 1947 B13R1.74 CN(C)c1ccc(cc1)NCCF 1c4ab56f20bc75a8173df438404d015c [0,2,0,0,0,0|2,0,0]=4 1948 B13R1.74 CN(C)c1ccc(cc1)NCCO d8f2087a0f448da24aa652bc47dfbb7d [0,2,0,0,0,0|2,0,0]=4 1949 B13R1.74 CN(C)c1ccc(cc1)NCCS cdf180ce70a6a922fba9b2430b522ee8 [0,2,0,0,0,0|2,0,0]=4 1950 B13R1.74 CN(C)c1ccc(cc1)OCCF b5f0d44cd3f4e97a58eb18178a18e7be [0,2,0,0,0,0|2,0,0]=4 1951 B13R1.74 CN(C)c1ccc(cc1)OCCS a1f3c19c52033d5ea2fd7978a6473d30 [0,2,0,0,0,0|2,0,0]=4 1952 B13R1.74 COCNc1ccc(cc1)C(=O)C 8af61c683a7341755578ba89b89e00cf [0,2,0,0,0,0|2,0,0]=4 1953 B13R1.74 COCNc1ccc(cc1)C(C)C 90c2b44b2bf6be868a4d8f9f0b0ee194 [0,2,0,0,0,0|2,0,0]=4 1954 B13R1.74 COCNc1ccc(cc1)C(C)O 6fd9208d6526f74f1d1a6d0673947a6c [0,2,0,0,0,0|2,0,0]=4 1955 B13R1.74 COCNc1ccc(cc1)N(C)C 3cad3a7ee4c2a4bcebd61b402d94b4e6 [0,2,0,0,0,0|2,0,0]=4 1956 B13R1.74 COCNc1ccc(cc1)S(=O)C a2b0fb188e5c4bdcc89e1a3df5aa58f4 [0,2,0,0,0,0|1,1,0]=4 1957 B13R1.74 COCOc1ccc(cc1)C(=O)C cdab89ad69bc4aeaf45cbc37aafb0cdf [0,2,0,0,0,0|2,0,0]=4 1958 B13R1.74 COCOc1ccc(cc1)C(C)C 172cc245da6e91fcf95eff4034178b2a [0,2,0,0,0,0|2,0,0]=4 1959 B13R1.74 COCOc1ccc(cc1)N(C)C 547436acd9ec2653248bbc97140fd359 [0,2,0,0,0,0|2,0,0]=4 1960 B13R1.74 COCOc1ccc(cc1)S(=O)C 1ecd2470c0ec98b36da7f0a05a01767d [0,2,0,0,0,0|1,1,0]=4 1961 B13R1.74 CS(=O)c1ccc(cc1)NCCBr 1d998c4cac73783be06dd2d6f5711e40 [0,2,0,0,0,0|1,1,0]=4 1962 B13R1.74 CS(=O)c1ccc(cc1)NCCF 03b8c4c1510eb4b109b3a8f957132b4e [0,2,0,0,0,0|1,1,0]=4 1963 B13R1.74 CS(=O)c1ccc(cc1)NCCI a3875c0c2a8bd79810c0f6df9205a4d4 [0,2,0,0,0,0|1,1,0]=4 1964 B13R1.74 CS(=O)c1ccc(cc1)NCCO d3a32e71956f53dfeb402d5986fbd337 [0,2,0,0,0,0|1,1,0]=4 1965 B13R1.74 CS(=O)c1ccc(cc1)NCCS 3054eec6e0fa452d1c8c95fd65347a72 [0,2,0,0,0,0|1,1,0]=4 1966 B13R1.74 CS(=O)c1ccc(cc1)OCCF fcc57eff6c8a194a1f284adf4b77caea [0,2,0,0,0,0|1,1,0]=4 1967 B13R1.74 CS(=O)c1ccc(cc1)OCCS b97d9129fe13ec86e7ca4a81584cd23b [0,2,0,0,0,0|1,1,0]=4 1968 B13R1.74 CSCNc1ccc(cc1)C(=O)C 3a509e2567036c55cff3f54ccee4a5fc [0,2,0,0,0,0|2,0,0]=4 1969 B13R1.74 CSCNc1ccc(cc1)C(C)C 9b0889b0c68b92ea1958901495575d58 [0,2,0,0,0,0|2,0,0]=4 1970 B13R1.74 CSCNc1ccc(cc1)C(C)O ceb8eb10240ba0347f1384926e9dcda7 [0,2,0,0,0,0|2,0,0]=4 1971 B13R1.74 CSCNc1ccc(cc1)N(C)C 796cf1a19b665ac35b86c1ad7ffbc27b [0,2,0,0,0,0|2,0,0]=4 1972 B13R1.74 CSCNc1ccc(cc1)S(=O)C 0244e42d62ab0bfb4400afb641a84402 [0,2,0,0,0,0|1,1,0]=4 1973 B13R1.74 CSCOc1ccc(cc1)C(=O)C fc5cb2c7dda29a4a272c0869a9ba9948 [0,2,0,0,0,0|2,0,0]=4 1974 B13R1.74 CSCOc1ccc(cc1)C(C)C 9541b5b324300c980e02e0dcd9aa16b9 [0,2,0,0,0,0|2,0,0]=4 1975 B13R1.74 CSCOc1ccc(cc1)N(C)C dfb67b27a0834adec3fc5743dd555dc2 [0,2,0,0,0,0|2,0,0]=4 1976 B13R1.74 CSCOc1ccc(cc1)S(=O)C 1307c4b467256bdfb592a32db0affd95 [0,2,0,0,0,0|1,1,0]=4 1977 B13R1.74 C[C@@H](O)c1ccc(cc1)NCCBr 829ece5f79b44cfc55293c170f36679b [0,2,0,0,0,0|2,0,0]=4 1978 B13R1.74 C[C@@H](O)c1ccc(cc1)NCCI 2cba94ac7246bb0da77a221814bac7c6 [0,2,0,0,0,0|2,0,0]=4 1979 B13R1.74 C[C@@H](O)c1ccc(cc1)NCCO 17eefd9d4ae80964731844de80a84639 [0,2,0,0,0,0|2,0,0]=4 1980 B13R1.74 C[C@@H](O)c1ccc(cc1)NCCS f929d13465e8b208996de4b5c19ed251 [0,2,0,0,0,0|2,0,0]=4 1981 B13R1.74 C[C@H](O)c1ccc(cc1)NCCBr 8bd34c7492a53973b2a17817a5add2b1 [0,2,0,0,0,0|2,0,0]=4 1982 B13R1.74 C[C@H](O)c1ccc(cc1)NCCI 11493611df831d78ae01fdf44c04c81b [0,2,0,0,0,0|2,0,0]=4 1983 B13R1.74 C[C@H](O)c1ccc(cc1)NCCO 982026be00658c3474306c723f5744b6 [0,2,0,0,0,0|2,0,0]=4 1984 B13R1.74 C[C@H](O)c1ccc(cc1)NCCS 4754bf236f433ffd173bfc540223b2ee [0,2,0,0,0,0|2,0,0]=4 1985 B13R1.75 C#CCNc1ccc(cc1C)OC 437c4291a634453daf5a71910040bb91 [0,2,0,0,0,0|0,0,2]=4 1986 B13R1.75 C#CCNc1ccc(cc1Cl)OC 2c8b45f95a5001dcad6ddc0e40d72175 [0,2,0,0,0,0|0,0,2]=4 1987 B13R1.75 C#CCNc1ccc(cc1F)OC 028e8140cb2591076c9bb7b678ccfcf1 [0,2,0,0,0,0|0,0,2]=4 1988 B13R1.75 C#CCNc1ccc(cc1I)OC d4553d00007d2f9575dee7945273da3c [0,2,0,0,0,0|0,0,2]=4 1989 B13R1.75 C#CCNc1ccc(cc1S)OC 8ec1978bcabc75a0b6a1a41dc0d006cd [0,2,0,0,0,0|0,0,2]=4 1990 B13R1.75 C#CCOc1ccc(cc1Br)OC a34b31439a24aa2541ceb37ca6c0e99e [0,2,0,0,0,0|0,0,2]=4 1991 B13R1.75 C#CCOc1ccc(cc1C)OC bdcf118160462fc9b68947f4d6b46c69 [0,2,0,0,0,0|0,0,2]=4 1992 B13R1.75 C#CCOc1ccc(cc1Cl)OC fa5e2b19c05faac4743bca12c698ba4a [0,2,0,0,0,0|0,0,2]=4 1993 B13R1.75 C#CCOc1ccc(cc1F)OC e61b5b4d8431005c429ee96b0522f7b5 [0,2,0,0,0,0|0,0,2]=4 1994 B13R1.75 C#CCOc1ccc(cc1I)OC 84e4a7d5da23affdebf583a87841a33d [0,2,0,0,0,0|0,0,2]=4 1995 B13R1.75 C#Cc1ccc(c(c1)C)NCCC 7eb067523bce560d856cbe05e9c5bcaf [0,2,0,0,0,0|1,0,1]=4 1996 B13R1.75 C#Cc1ccc(c(c1)Cl)NCCC 0e57b4d9bfe9fe791f78f5d6ad76061b [0,2,0,0,0,0|1,0,1]=4 1997 B13R1.75 C=CCNc1ccc(cc1Br)OC 57ef9279161f1b8daccd578a9ccb22f6 [0,2,0,0,0,0|0,0,2]=4 1998 B13R1.75 C=CCNc1ccc(cc1C)OC 109869949a1ba7f1b4d30e0e903c56a7 [0,2,0,0,0,0|0,0,2]=4 1999 B13R1.75 C=CCNc1ccc(cc1Cl)OC 2f60c72066d72a512a60a0f5feeeeb97 [0,2,0,0,0,0|0,0,2]=4 2000 B13R1.75 C=CCNc1ccc(cc1F)OC c541b9006381bdf3565a8ff7f71b4f49 [0,2,0,0,0,0|0,0,2]=4 2001 B13R1.75 C=CCNc1ccc(cc1I)OC 218b3a93d2c540cdf88d9ddaa3f63739 [0,2,0,0,0,0|0,0,2]=4 2002 B13R1.75 C=CCNc1ccc(cc1S)OC d2794346ad8cee40feef65ffd08766e6 [0,2,0,0,0,0|0,0,2]=4 2003 B13R1.75 C=CCOc1ccc(cc1Br)OC e1e25fb3bf16b59e1728b2423cd01438 [0,2,0,0,0,0|0,0,2]=4 2004 B13R1.75 C=CCOc1ccc(cc1C)OC e156677e87516f921bdacd72e1d28efa [0,2,0,0,0,0|0,0,2]=4 2005 B13R1.75 C=CCOc1ccc(cc1Cl)OC a93f8f5e8417b3918e1432f722a5f9ea [0,2,0,0,0,0|0,0,2]=4 2006 B13R1.75 C=CCOc1ccc(cc1F)OC 9ed9a2487529917ac232b827945541a5 [0,2,0,0,0,0|0,0,2]=4 2007 B13R1.75 C=CCOc1ccc(cc1I)OC a4305903993c79898dcda9b494ecb7b6 [0,2,0,0,0,0|0,0,2]=4 2008 B13R1.75 C=Cc1ccc(c(c1)I)OCCC a3dda663a9970162881f57b8835b81fe [0,2,0,0,0,0|1,0,1]=4 2009 B13R1.75 CCCNc1ccc(cc1Br)C#N a100bc3cc9b05761551a636bb6e37433 [0,2,0,0,0,0|2,0,0]=4 2010 B13R1.75 CCCNc1ccc(cc1Br)C=O 3e2b54f9f675246e1e93776f20be1086 [0,2,0,0,0,0|2,0,0]=4 2011 B13R1.75 CCCNc1ccc(cc1Br)CC 9e167b22c0b4d8fead75d1c33c222cac [0,2,0,0,0,0|1,0,0]=3 2012 B13R1.75 CCCNc1ccc(cc1Br)CO 2749c479e583c68758220e7e80d4ad2a [0,2,0,0,0,0|2,0,0]=4 2013 B13R1.75 CCCNc1ccc(cc1Br)OC d7d9028d1ee59f090880c899c1f10da3 [0,2,0,0,0,0|0,0,0]=2 2014 B13R1.75 CCCNc1ccc(cc1C)C#N d142f311550e14e2b1afc7526334282b [0,2,0,0,0,0|2,0,0]=4 2015 B13R1.75 CCCNc1ccc(cc1C)CC c4b9c936d82ac4fecbc94bbe951b5979 [0,2,0,0,0,0|1,0,0]=3 2016 B13R1.75 CCCNc1ccc(cc1C)CO 1cb593b269f13d657fb09de240b50470 [0,2,0,0,0,0|2,0,0]=4 2017 B13R1.75 CCCNc1ccc(cc1C)OC ce08cf4c8993bcedc49aa38fb5647844 [0,2,0,0,0,0|0,0,0]=2 2018 B13R1.75 CCCNc1ccc(cc1C)SC 9df45da70d74b639fbe35fe28740ec30 [0,2,0,0,0,0|0,1,0]=3 2019 B13R1.75 CCCNc1ccc(cc1Cl)C#N 0c74df70a139f9b0cadd991b4325858b [0,2,0,0,0,0|2,0,0]=4 2020 B13R1.75 CCCNc1ccc(cc1Cl)CC 7379e9e4faa39630f567d4d358d999f7 [0,2,0,0,0,0|1,0,0]=3 2021 B13R1.75 CCCNc1ccc(cc1Cl)CO 47507750d0920c32ab92995b8c5c80ea [0,2,0,0,0,0|2,0,0]=4 2022 B13R1.75 CCCNc1ccc(cc1Cl)OC a65e5ec10d81f78b4945dcd5fcaa0abf [0,2,0,0,0,0|0,0,0]=2 2023 B13R1.75 CCCNc1ccc(cc1F)C#N 67d800651fe819935ce2d5f3d51830e7 [0,2,0,0,0,0|2,0,0]=4 2024 B13R1.75 CCCNc1ccc(cc1F)CC f23b0c702ce1eb450b6c691fc45c5e47 [0,2,0,0,0,0|1,0,0]=3 2025 B13R1.75 CCCNc1ccc(cc1F)OC 7124b9292ecb646da81ffd2bfc80e725 [0,2,0,0,0,0|0,0,0]=2 2026 B13R1.75 CCCNc1ccc(cc1F)SC 002988209214d55f8e59e0e15c6f4952 [0,2,0,0,0,0|0,1,0]=3 2027 B13R1.75 CCCNc1ccc(cc1I)C#N 7691fc70aea4cf102b2a90fd1a024147 [0,2,0,0,0,0|2,0,0]=4 2028 B13R1.75 CCCNc1ccc(cc1I)CC 8c8b595f39bcf81c6866b9f0c50b1772 [0,2,0,0,0,0|1,0,0]=3 2029 B13R1.75 CCCNc1ccc(cc1I)CO 3b67ea6e93b25fdd7ffd5bc35cf854f7 [0,2,0,0,0,0|2,0,0]=4 2030 B13R1.75 CCCNc1ccc(cc1I)OC ef08a99f4c255dde415615a5d45ffdf9 [0,2,0,0,0,0|0,0,0]=2 2031 B13R1.75 CCCNc1ccc(cc1S)OC 05d77a972bad650dd217a5b63ce4881c [0,2,0,0,0,0|0,0,0]=2 2032 B13R1.75 CCCNc1ccc(nc1Br)OC 2d6260730470eb81aa45fecc84338bf0 [0,2,0,0,0,0|1,0,0]=3 2033 B13R1.75 CCCNc1ccc(nc1C)SC a5aa6ef2902bcf53f9e541c406d0bfda [0,2,0,0,0,0|1,1,0]=4 2034 B13R1.75 CCCNc1ccc(nc1Cl)OC 71178bd6854ecfd95355060d3021e87f [0,2,0,0,0,0|1,0,0]=3 2035 B13R1.75 CCCNc1ccc(nc1F)OC 727e056435445e97cc665c176fd45f3d [0,2,0,0,0,0|1,0,0]=3 2036 B13R1.75 CCCNc1cnc(cc1C)OC fdcb137f4c2711c0a9b079fa5d66f813 [0,2,0,0,0,0|1,0,0]=3 2037 B13R1.75 CCCNc1cnc(cc1Cl)OC a313fda28defcdd08df3c1b219741be8 [0,2,0,0,0,0|1,0,0]=3 2038 B13R1.75 CCCNc1cnc(nc1C)OC 2045220fb9acd9a599e66ae8c99e9350 [0,2,0,0,0,0|2,0,0]=4 2039 B13R1.75 CCCNc1ncc(cc1Br)OC 7cd37949599f17f78d080d48a421ea20 [0,2,0,0,0,0|1,0,0]=3 2040 B13R1.75 CCCNc1ncc(cc1C)OC d0f06b7e5882751d70da86d22089396a [0,2,0,0,0,0|1,0,0]=3 2041 B13R1.75 CCCNc1ncc(cc1F)OC 1f8c4b6725dbee4b74ea2b60aa56d87f [0,2,0,0,0,0|1,0,0]=3 2042 B13R1.75 CCCNc1ncc(nc1C)OC d4e5d475f1488d0d048235f055281a24 [0,2,0,0,0,0|2,0,0]=4 2043 B13R1.75 CCCNc1nnc(cc1C)OC 6af648b6178e6b0b46e38c3f8816140a [0,2,0,0,0,0|2,0,0]=4 2044 B13R1.75 CCCOc1ccc(cc1Br)C#N ad3bc73fb4619085bce5a1b5788f4554 [0,2,0,0,0,0|2,0,0]=4 2045 B13R1.75 CCCOc1ccc(cc1Br)CC 0787247a678d67e4be2eb656e9a200d0 [0,2,0,0,0,0|1,0,0]=3 2046 B13R1.75 CCCOc1ccc(cc1Br)OC b8405e1334725bccbb727685926336a5 [0,2,0,0,0,0|0,0,0]=2 2047 B13R1.75 CCCOc1ccc(cc1Br)SC 5db29063e679230fdb92fa1205103e91 [0,2,0,0,0,0|0,1,0]=3 2048 B13R1.75 CCCOc1ccc(cc1C)C#N 0e9038cca588580c0710fef6b22b8f97 [0,2,0,0,0,0|2,0,0]=4 2049 B13R1.75 CCCOc1ccc(cc1C)C=O 2c4b4732c3224131e1b191d5793f1d07 [0,2,0,0,0,0|2,0,0]=4 2050 B13R1.75 CCCOc1ccc(cc1C)CC 0527319f15cb62bc3eb7ac6482b12a8a [0,2,0,0,0,0|1,0,0]=3 2051 B13R1.75 CCCOc1ccc(cc1C)OC 19a9ae2e88745c8b860d93d212c66a4a [0,2,0,0,0,0|0,0,0]=2 2052 B13R1.75 CCCOc1ccc(cc1C)SC 47e164897951d3cad459bd05f3997daa [0,2,0,0,0,0|0,1,0]=3 2053 B13R1.75 CCCOc1ccc(cc1Cl)C#N 96b2d9bb3e85b99c482075c39c24d5af [0,2,0,0,0,0|2,0,0]=4 2054 B13R1.75 CCCOc1ccc(cc1Cl)C=O 5d8bc8cbd6186fc7d1e9efc43d282a66 [0,2,0,0,0,0|2,0,0]=4 2055 B13R1.75 CCCOc1ccc(cc1Cl)CC 7faadedeafb1519caaac3e9cae50179e [0,2,0,0,0,0|1,0,0]=3 2056 B13R1.75 CCCOc1ccc(cc1Cl)OC 6f55e345c2d01f9bec2b88d5289968b3 [0,2,0,0,0,0|0,0,0]=2 2057 B13R1.75 CCCOc1ccc(cc1F)C#N 5ef23554aad71a7170b3c9fafd9a277f [0,2,0,0,0,0|2,0,0]=4 2058 B13R1.75 CCCOc1ccc(cc1F)C=O c61a9680b9d9d9bc70aaee80a39e8956 [0,2,0,0,0,0|2,0,0]=4 2059 B13R1.75 CCCOc1ccc(cc1F)OC ed358506545f8966f3aa15a37aa91cb7 [0,2,0,0,0,0|0,0,0]=2 2060 B13R1.75 CCCOc1ccc(cc1I)C#N 9e3b8a6b026421c0efb3609826df2876 [0,2,0,0,0,0|2,0,0]=4 2061 B13R1.75 CCCOc1ccc(cc1I)C=O b4ec9c4d788af7ff51ffe42dc3992918 [0,2,0,0,0,0|2,0,0]=4 2062 B13R1.75 CCCOc1ccc(cc1I)OC 90994b78c1c14af62fc01bc852f4683e [0,2,0,0,0,0|0,0,0]=2 2063 B13R1.75 CCCOc1ccc(nc1Br)OC 00e61f5a7ca9ee80d45f852573beb28a [0,2,0,0,0,0|1,0,0]=3 2064 B13R1.75 CCCOc1ccc(nc1C)OC 81f14edc2ba9c953ce70643b8159b345 [0,2,0,0,0,0|1,0,0]=3 2065 B13R1.75 CCCOc1ccc(nc1Cl)OC 62d926b5c0d112debf90b1d6cc5cbf75 [0,2,0,0,0,0|1,0,0]=3 2066 B13R1.75 CCCOc1cnc(cc1C)OC 1053609ce634aaa394b344e73a88f5b7 [0,2,0,0,0,0|1,0,0]=3 2067 B13R1.75 CCCOc1cnc(cc1I)OC dcc21e49432ebd1ba4af37edb2ab15f2 [0,2,0,0,0,0|1,0,0]=3 2068 B13R1.75 CCCOc1cnc(nc1C)OC 4127b32aa3efb5f662e55aa0cd90b054 [0,2,0,0,0,0|2,0,0]=4 2069 B13R1.75 CCCOc1ncc(cc1Cl)OC 1057f1256dbdc4c2b1cf2f883e9c818c [0,2,0,0,0,0|1,0,0]=3 2070 B13R1.75 CCNCc1ccc(cc1Br)C#N 4f3eba5f9480ffe2734412e4b2d95267 [0,2,0,0,0,0|2,0,0]=4 2071 B13R1.75 CCNCc1ccc(cc1C)OC d43d999f4ff5820376168fc03b199588 [0,2,0,0,0,0|0,0,0]=2 2072 B13R1.75 CCNCc1ccc(cc1Cl)C#N 21bd178818b8743ccaaef49eeff5e818 [0,2,0,0,0,0|2,0,0]=4 2073 B13R1.75 CCNCc1ccc(cc1Cl)OC 0ceb9ccfc5e2143f7996aa0a8531dc6f [0,2,0,0,0,0|0,0,0]=2 2074 B13R1.75 CCNCc1ccc(cc1F)C#N b83172b83484efad64ac7102bf3ea9c5 [0,2,0,0,0,0|2,0,0]=4 2075 B13R1.75 CCNCc1ccc(cc1F)OC 230cb6e20a59f5ad5315696b51ae7d60 [0,2,0,0,0,0|0,0,0]=2 2076 B13R1.75 CCNCc1ccc(nc1Br)OC 2a637ce0c2b8f58e235618549533f649 [0,2,0,0,0,0|1,0,0]=3 2077 B13R1.75 CCNCc1ccc(nc1C)OC f727019560d4cdbbb1272441cf940d3e [0,2,0,0,0,0|1,0,0]=3 2078 B13R1.75 CCNCc1ncc(cc1C)OC 84df47c4e2695554738017a19d6c7501 [0,2,0,0,0,0|1,0,0]=3 2079 B13R1.75 CCOCc1ccc(cc1Br)C#N 6bbd0a15e9f7953c1a0da3ac87c401d7 [0,2,0,0,0,0|2,0,0]=4 2080 B13R1.75 CCOCc1ccc(cc1Br)CC b42538b00bfc84172e221b4d226a2a82 [0,2,0,0,0,0|1,0,0]=3 2081 B13R1.75 CCOCc1ccc(cc1Br)OC b8203bee705f2f1c67f26eccabbb1a0c [0,2,0,0,0,0|0,0,0]=2 2082 B13R1.75 CCOCc1ccc(cc1C)C#N 7a283397f61b73325c0804679af83ff1 [0,2,0,0,0,0|2,0,0]=4 2083 B13R1.75 CCOCc1ccc(cc1C)OC 8ca21e2dfaa200e91763381de45ed41c [0,2,0,0,0,0|0,0,0]=2 2084 B13R1.75 CCOCc1ccc(cc1C)SC fe9ca72c65a3e66009fe53eed5f4f64d [0,2,0,0,0,0|0,1,0]=3 2085 B13R1.75 CCOCc1ccc(cc1Cl)C#N 09995ac8a34a10c1510833736276f1a5 [0,2,0,0,0,0|2,0,0]=4 2086 B13R1.75 CCOCc1ccc(cc1Cl)OC 5ba124ef6f8225fe777f39500326f65a [0,2,0,0,0,0|0,0,0]=2 2087 B13R1.75 CCOCc1ccc(cc1F)C#N 3514cad44f8eac3876f587ff6fd43ca5 [0,2,0,0,0,0|2,0,0]=4 2088 B13R1.75 CCOCc1ccc(cc1F)OC c38a4c9e94e37e00fcd1f3c480ff1b8c [0,2,0,0,0,0|0,0,0]=2 2089 B13R1.75 CCOCc1ccc(nc1Br)OC abc3bc814c8c874cfff4d4c3f4ffcd8f [0,2,0,0,0,0|1,0,0]=3 2090 B13R1.75 CCOCc1ccc(nc1C)OC 295c928644e42a857d7e80e669525ca7 [0,2,0,0,0,0|1,0,0]=3 2091 B13R1.75 CCOCc1ccc(nc1Cl)OC 0f23a27da1f3dbaecbf08a6f29916934 [0,2,0,0,0,0|1,0,0]=3 2092 B13R1.75 CCOCc1cnc(cc1C)OC 275217a4695e195581805b24f3fc5cdb [0,2,0,0,0,0|1,0,0]=3 2093 B13R1.75 CCOCc1cnc(cc1Cl)OC 1c1481fe2bdffbb9440b1d9cd0da9f5b [0,2,0,0,0,0|1,0,0]=3 2094 B13R1.75 CCOCc1cnc(cc1I)OC f5ac648c9c46ee50f9871385a266d107 [0,2,0,0,0,0|1,0,0]=3 2095 B13R1.75 CCOCc1ncc(cc1Cl)OC a8c92a43a1ed1be5dcb0e7464e11667c [0,2,0,0,0,0|1,0,0]=3 2096 B13R1.75 CCc1ccc(c(c1)Br)COCF 21c5b473b28ee29cd56edbbeff1a1602 [0,2,0,0,0,0|2,0,0]=4 2097 B13R1.75 CCc1ccc(c(c1)Br)NCCF 65a6592e3af5da830a8b651e074119e6 [0,2,0,0,0,0|2,0,0]=4 2098 B13R1.75 CCc1ccc(c(c1)Br)NCCO 346697270eeaab9b3a9a887f3ac2da51 [0,2,0,0,0,0|2,0,0]=4 2099 B13R1.75 CCc1ccc(c(c1)Br)NCCS 0acf6a33e2819158a4a08e374a0d32ce [0,2,0,0,0,0|2,0,0]=4 2100 B13R1.75 CCc1ccc(c(c1)Br)NCOC 213ed80c939198b8ad6acfc68cf73998 [0,2,0,0,0,0|2,0,0]=4 2101 B13R1.75 CCc1ccc(c(c1)Br)NCSC 118f038ab71e45ba59596ce5649dc85c [0,2,0,0,0,0|2,0,0]=4 2102 B13R1.75 CCc1ccc(c(c1)Br)OCCF 4e94241ae0105b6b7b75e93ded341a06 [0,2,0,0,0,0|2,0,0]=4 2103 B13R1.75 CCc1ccc(c(c1)Br)OCCS 9be9db02b2514c54b1791d3321470ca9 [0,2,0,0,0,0|2,0,0]=4 2104 B13R1.75 CCc1ccc(c(c1)Br)OCOC e6eb94912c79719a9382e844ffb62e6f [0,2,0,0,0,0|2,0,0]=4 2105 B13R1.75 CCc1ccc(c(c1)Br)OCSC bdb0eb28556964cd22896e41455dab74 [0,2,0,0,0,0|2,0,0]=4 2106 B13R1.75 CCc1ccc(c(c1)C)NCCF 82323b4bd197dea9cc554c98d6d52aac [0,2,0,0,0,0|2,0,0]=4 2107 B13R1.75 CCc1ccc(c(c1)C)NCCO ce5d6444364c2214ca0981249644a272 [0,2,0,0,0,0|2,0,0]=4 2108 B13R1.75 CCc1ccc(c(c1)C)NCCS 8788210b9856e8b60fb2546161037247 [0,2,0,0,0,0|2,0,0]=4 2109 B13R1.75 CCc1ccc(c(c1)C)NCOC 2349a991a5fe61c54d37e30890718812 [0,2,0,0,0,0|2,0,0]=4 2110 B13R1.75 CCc1ccc(c(c1)C)NCSC 420be827ac07573c0648846cfed1cbf0 [0,2,0,0,0,0|2,0,0]=4 2111 B13R1.75 CCc1ccc(c(c1)C)OCCF 780a59d9a51656c0f5ae1432661270e5 [0,2,0,0,0,0|2,0,0]=4 2112 B13R1.75 CCc1ccc(c(c1)C)OCCS 2177e3a8c40743a38fbfcdcf53ca5541 [0,2,0,0,0,0|2,0,0]=4 2113 B13R1.75 CCc1ccc(c(c1)C)OCOC 1dc81bb2faeb10f9f79104a7ceb00ab9 [0,2,0,0,0,0|2,0,0]=4 2114 B13R1.75 CCc1ccc(c(c1)C)OCSC c1606019a5f86372bded81dbe17a7c02 [0,2,0,0,0,0|2,0,0]=4 2115 B13R1.75 CCc1ccc(c(c1)Cl)NCCF f3450637e4edde5eb6ef79bd2f3e94a0 [0,2,0,0,0,0|2,0,0]=4 2116 B13R1.75 CCc1ccc(c(c1)Cl)NCCO 5dec33eaada9c2e5b09c9376c11175b7 [0,2,0,0,0,0|2,0,0]=4 2117 B13R1.75 CCc1ccc(c(c1)Cl)NCCS 19ff61aae83b1e170fa8b8c821cac9ec [0,2,0,0,0,0|2,0,0]=4 2118 B13R1.75 CCc1ccc(c(c1)Cl)NCOC c8e633db9d35b9dc148425f39f7ae75a [0,2,0,0,0,0|2,0,0]=4 2119 B13R1.75 CCc1ccc(c(c1)Cl)NCSC 1f17171ed703d9a7c0a571274e9ca670 [0,2,0,0,0,0|2,0,0]=4 2120 B13R1.75 CCc1ccc(c(c1)Cl)OCCF 7cb73377dfb75fd3c472a5f3c1563583 [0,2,0,0,0,0|2,0,0]=4 2121 B13R1.75 CCc1ccc(c(c1)Cl)OCCS e9188334690bfcb21ea06fe8db95457d [0,2,0,0,0,0|2,0,0]=4 2122 B13R1.75 CCc1ccc(c(c1)Cl)OCOC 41629ddffcb91d476ea633b20a4eea95 [0,2,0,0,0,0|2,0,0]=4 2123 B13R1.75 CCc1ccc(c(c1)Cl)OCSC 87ff0fc9cfc2c8afb5925260b1ad9682 [0,2,0,0,0,0|2,0,0]=4 2124 B13R1.75 CCc1ccc(c(c1)F)NCCF dd66bcdfd719ca0d406b2ec84aad83aa [0,2,0,0,0,0|2,0,0]=4 2125 B13R1.75 CCc1ccc(c(c1)F)NCCO 145956a871d7c54b28a0b6d7c8b03cc9 [0,2,0,0,0,0|2,0,0]=4 2126 B13R1.75 CCc1ccc(c(c1)F)NCCS ff760faa93e8b1e06f750d0231f466b9 [0,2,0,0,0,0|2,0,0]=4 2127 B13R1.75 CCc1ccc(c(c1)F)NCOC 427007ae2dfcfbadb4815446c2504250 [0,2,0,0,0,0|2,0,0]=4 2128 B13R1.75 CCc1ccc(c(c1)F)NCSC 10301eda408b5630a1977dd9c543a85b [0,2,0,0,0,0|2,0,0]=4 2129 B13R1.75 CCc1ccc(c(c1)I)NCCF f7966956f3b2ab0b92c96a993351f2fa [0,2,0,0,0,0|2,0,0]=4 2130 B13R1.75 CCc1ccc(c(c1)I)NCCO 346fcb1c61ef8e280190679f0c9a3833 [0,2,0,0,0,0|2,0,0]=4 2131 B13R1.75 CCc1ccc(c(c1)I)NCCS 25e521ae507129aa4e22806da9b76876 [0,2,0,0,0,0|2,0,0]=4 2132 B13R1.75 CCc1ccc(c(c1)I)NCOC 3636035dd410ec2dc64d66671073f38f [0,2,0,0,0,0|2,0,0]=4 2133 B13R1.75 CCc1ccc(c(c1)I)NCSC 0b329a4dfb067990a98c7fed7d594b3f [0,2,0,0,0,0|2,0,0]=4 2134 B13R1.75 COCNc1ccc(cc1Br)OC c271bccd03c45ed879b56201d207e478 [0,2,0,0,0,0|1,0,0]=3 2135 B13R1.75 COCNc1ccc(cc1C)OC e7b1335ce19931d3025ca21c1f158e5f [0,2,0,0,0,0|1,0,0]=3 2136 B13R1.75 COCNc1ccc(cc1C)SC 3c6a88062fa40cb9b7c5b8daa5c49827 [0,2,0,0,0,0|1,1,0]=4 2137 B13R1.75 COCNc1ccc(cc1Cl)OC 69c2ca25bd3c1739768cd9aa3be71ba9 [0,2,0,0,0,0|1,0,0]=3 2138 B13R1.75 COCNc1ccc(cc1F)OC d1874f30c78d08be4f719dfc5e1e64d4 [0,2,0,0,0,0|1,0,0]=3 2139 B13R1.75 COCNc1ccc(cc1F)SC 8a6a0d612b2eff85bbb9ef076db67de3 [0,2,0,0,0,0|1,1,0]=4 2140 B13R1.75 COCNc1ccc(cc1I)OC 2d8d45eb07b66eb599e63a44a558aafa [0,2,0,0,0,0|1,0,0]=3 2141 B13R1.75 COCNc1ccc(cc1S)OC e3c99c2a616e28acca4b72a4aff2b773 [0,2,0,0,0,0|1,0,0]=3 2142 B13R1.75 COCNc1ccc(nc1Br)OC 92149fdc23080f19774e85ba7d97ee4e [0,2,0,0,0,0|2,0,0]=4 2143 B13R1.75 COCNc1ccc(nc1C)OC c74c8aa6b5277aeb583a5ab100d95447 [0,2,0,0,0,0|2,0,0]=4 2144 B13R1.75 COCNc1ccc(nc1Cl)OC df9783c9d5109edc8b01560891d312af [0,2,0,0,0,0|2,0,0]=4 2145 B13R1.75 COCNc1ccc(nc1F)OC 360bf6c8ded6a957ee466f3304ed6af9 [0,2,0,0,0,0|2,0,0]=4 2146 B13R1.75 COCNc1cnc(cc1C)OC f67a1a847db024f2124e5ecf163a36e3 [0,2,0,0,0,0|2,0,0]=4 2147 B13R1.75 COCNc1cnc(cc1Cl)OC 2740563b03c05804aa2dc7f2a2c9a06b [0,2,0,0,0,0|2,0,0]=4 2148 B13R1.75 COCNc1ncc(cc1Br)OC 43ed00df8d526e4cee76bc1f94a0552e [0,2,0,0,0,0|2,0,0]=4 2149 B13R1.75 COCNc1ncc(cc1C)OC 21e45d9de2c6b8937e377562414730cc [0,2,0,0,0,0|2,0,0]=4 2150 B13R1.75 COCNc1ncc(cc1F)OC 74fbf4887eb1a3a4dd09b46d71c6fe44 [0,2,0,0,0,0|2,0,0]=4 2151 B13R1.75 COCOc1ccc(cc1Br)OC cba6436901fe5ff67e02c64f5552e61e [0,2,0,0,0,0|1,0,0]=3 2152 B13R1.75 COCOc1ccc(cc1C)OC 3ce98d8d7e0e72e3ab4064dda7c599db [0,2,0,0,0,0|1,0,0]=3 2153 B13R1.75 COCOc1ccc(cc1C)SC 32bc9846611a1b7baad401811ab34bb2 [0,2,0,0,0,0|1,1,0]=4 2154 B13R1.75 COCOc1ccc(cc1Cl)OC 6ff8a7f55b744adec7645dc7b117edef [0,2,0,0,0,0|1,0,0]=3 2155 B13R1.75 COCOc1ccc(cc1F)OC 5e49d79f151a9cda5303a30180a546d0 [0,2,0,0,0,0|1,0,0]=3 2156 B13R1.75 COCOc1ccc(cc1I)OC d4179ef490ad5b942cd3a8c51e677544 [0,2,0,0,0,0|1,0,0]=3 2157 B13R1.75 COCOc1ccc(nc1Br)OC ef3ea02f2fac60cded55b03cce41d417 [0,2,0,0,0,0|2,0,0]=4 2158 B13R1.75 COCOc1ccc(nc1C)OC 23e1da52aebe2194476bc144d0194d7d [0,2,0,0,0,0|2,0,0]=4 2159 B13R1.75 COCOc1ccc(nc1Cl)OC 5ae3786a2cafc5083bf77a798834787c [0,2,0,0,0,0|2,0,0]=4 2160 B13R1.75 COCOc1cnc(cc1C)OC 14b9b9dd31a25a5be85139961c5bbf72 [0,2,0,0,0,0|2,0,0]=4 2161 B13R1.75 COCOc1cnc(cc1I)OC dbe614902f95c74657f76971d79a5213 [0,2,0,0,0,0|2,0,0]=4 2162 B13R1.75 COCOc1ncc(cc1Cl)OC 0b697bbbee58f8eaad61d409084e803f [0,2,0,0,0,0|2,0,0]=4 2163 B13R1.75 COc1cc(c(cn1)COCF)C 8901a2e73d287edc0eff591b7a8e48bb [0,2,0,0,0,0|2,0,0]=4 2164 B13R1.75 COc1cc(c(cn1)COCF)Cl 2fdfa64ce01cf6631107cd729473b0ab [0,2,0,0,0,0|2,0,0]=4 2165 B13R1.75 COc1cc(c(cn1)COCF)I d5a16c08e7766b9c8cfe08fca7be02a7 [0,2,0,0,0,0|2,0,0]=4 2166 B13R1.75 COc1cc(c(cn1)NCCF)C 1fdfd7c8ec51a71f18c3197ae8f472b6 [0,2,0,0,0,0|2,0,0]=4 2167 B13R1.75 COc1cc(c(cn1)NCCF)Cl 83c5e719aa84f930f09848e4cf290fdc [0,2,0,0,0,0|2,0,0]=4 2168 B13R1.75 COc1cc(c(cn1)NCCO)C 9a56431d375b3e151447558fbe6391fe [0,2,0,0,0,0|2,0,0]=4 2169 B13R1.75 COc1cc(c(cn1)NCCO)Cl ffded17487270ae2bc6faf570299481d [0,2,0,0,0,0|2,0,0]=4 2170 B13R1.75 COc1cc(c(cn1)NCCS)C cd8e16e77d592862825af2b974a99e07 [0,2,0,0,0,0|2,0,0]=4 2171 B13R1.75 COc1cc(c(cn1)NCCS)Cl 09685f542530661aeb3c2106c4babb6d [0,2,0,0,0,0|2,0,0]=4 2172 B13R1.75 COc1cc(c(cn1)OCCF)C fc814ac61b80b37f67e92b824f5aa0f4 [0,2,0,0,0,0|2,0,0]=4 2173 B13R1.75 COc1cc(c(cn1)OCCF)I 563181805e3a8ccbf220e82ccf193daa [0,2,0,0,0,0|2,0,0]=4 2174 B13R1.75 COc1cc(c(cn1)OCCS)C b1e93fd3d6389ba91ee6e6d5ad29bdac [0,2,0,0,0,0|2,0,0]=4 2175 B13R1.75 COc1cc(c(cn1)OCCS)I c617c21635b3f8519c467c4354580f7d [0,2,0,0,0,0|2,0,0]=4 2176 B13R1.75 COc1cc(c(cn1)OCSC)C 54a970655784ec54f8a53e93a2eeffe5 [0,2,0,0,0,0|2,0,0]=4 2177 B13R1.75 COc1cc(c(cn1)OCSC)I 9a60d9ee1669bdb3d4f72f8a419e8982 [0,2,0,0,0,0|2,0,0]=4 2178 B13R1.75 COc1ccc(c(c1)Br)CNC#N 5d03bb4e73f07d160c1069612c8844b6 [0,2,0,0,0,0|1,0,1]=4 2179 B13R1.75 COc1ccc(c(c1)Br)COCF b2cdac38871752ddc0a8b79d2547a2e9 [0,2,0,0,0,0|1,0,0]=3 2180 B13R1.75 COc1ccc(c(c1)Br)NCC#N ec2fcf1c697ed07f985fe41cf0d4fcde [0,2,0,0,0,0|1,0,1]=4 2181 B13R1.75 COc1ccc(c(c1)Br)NCC=O b51e2653d22fa8eebd6a3f4149bea767 [0,2,0,0,0,0|1,0,1]=4 2182 B13R1.75 COc1ccc(c(c1)Br)NCCF 492f3a798e3471cadceb6fe3d882e6b7 [0,2,0,0,0,0|1,0,0]=3 2183 B13R1.75 COc1ccc(c(c1)Br)NCCO 557e2f3396b1dff8983ab118f83e3bb4 [0,2,0,0,0,0|1,0,0]=3 2184 B13R1.75 COc1ccc(c(c1)Br)NCCS cb412bad03838b8283f47b96e98c7551 [0,2,0,0,0,0|1,0,0]=3 2185 B13R1.75 COc1ccc(c(c1)Br)NCSC f94002d8a42822cfd87ad7d31e7181f2 [0,2,0,0,0,0|1,0,0]=3 2186 B13R1.75 COc1ccc(c(c1)Br)OCC#N 0056bf8c68cdf87121f4dfb36b57b4f8 [0,2,0,0,0,0|1,0,1]=4 2187 B13R1.75 COc1ccc(c(c1)Br)OCC=O 76c61018b89695cb8ce62a867c7678d4 [0,2,0,0,0,0|1,0,1]=4 2188 B13R1.75 COc1ccc(c(c1)Br)OCCF 05928ad7c075d9264c2b20c59653c799 [0,2,0,0,0,0|1,0,0]=3 2189 B13R1.75 COc1ccc(c(c1)Br)OCCS 299491efa19e595ddc6cb3207252909b [0,2,0,0,0,0|1,0,0]=3 2190 B13R1.75 COc1ccc(c(c1)Br)OCSC b4c4ac2d4c08aa8bd9497af42df75ddf [0,2,0,0,0,0|1,0,0]=3 2191 B13R1.75 COc1ccc(c(c1)C)CNC=O 56ec7cb188702beb88358a5b67c335dc [0,2,0,0,0,0|1,0,1]=4 2192 B13R1.75 COc1ccc(c(c1)C)CNCF 608a24043c46814282a69fbcbcb62093 [0,2,0,0,0,0|1,0,0]=3 2193 B13R1.75 COc1ccc(c(c1)C)CNCO 1ee3f39ba0d497d5bf98a79dedf30140 [0,2,0,0,0,0|1,0,0]=3 2194 B13R1.75 COc1ccc(c(c1)C)COCF bf6eaf17751b795ca9da907eb130e2e8 [0,2,0,0,0,0|1,0,0]=3 2195 B13R1.75 COc1ccc(c(c1)C)NCC#N 0253c2aefbe546e774ee0a33a1d3cd9d [0,2,0,0,0,0|1,0,1]=4 2196 B13R1.75 COc1ccc(c(c1)C)NCC=O 7d0dbf78d8e2ef1e6dd395ace88d3287 [0,2,0,0,0,0|1,0,1]=4 2197 B13R1.75 COc1ccc(c(c1)C)NCCF eab6453767a4e5678ac944d99d3439c8 [0,2,0,0,0,0|1,0,0]=3 2198 B13R1.75 COc1ccc(c(c1)C)NCCI 860e1cac2069006916cc8b26c68397b4 [0,2,0,0,0,0|1,0,0]=3 2199 B13R1.75 COc1ccc(c(c1)C)NCCO 66a87d2824c44c5c1025580d3b4f0312 [0,2,0,0,0,0|1,0,0]=3 2200 B13R1.75 COc1ccc(c(c1)C)NCCS 65f6a316fc0a89bfc83d07ba6652bc71 [0,2,0,0,0,0|1,0,0]=3 2201 B13R1.75 COc1ccc(c(c1)C)NCSC b8c7651f306a9f1818733944a852a81d [0,2,0,0,0,0|1,0,0]=3 2202 B13R1.75 COc1ccc(c(c1)C)OCC#N cf1310a03e757f5a97383d2041124c2c [0,2,0,0,0,0|1,0,1]=4 2203 B13R1.75 COc1ccc(c(c1)C)OCC=O 0c92794a1a0cc966d24e08bbee1395c7 [0,2,0,0,0,0|1,0,1]=4 2204 B13R1.75 COc1ccc(c(c1)C)OCCF fcf8450f900a294bd0f901668e702edd [0,2,0,0,0,0|1,0,0]=3 2205 B13R1.75 COc1ccc(c(c1)C)OCCS 1e76b68910a89b853737a2cf6045e54a [0,2,0,0,0,0|1,0,0]=3 2206 B13R1.75 COc1ccc(c(c1)C)OCSC 62967e8e72de4ca548d3fc75ed0fda1d [0,2,0,0,0,0|1,0,0]=3 2207 B13R1.75 COc1ccc(c(c1)Cl)CNC#N 653023efd173d7f677123c62fa762daa [0,2,0,0,0,0|1,0,1]=4 2208 B13R1.75 COc1ccc(c(c1)Cl)CNC=O 80f435d2e4cf6bcdb41b9d580d78642a [0,2,0,0,0,0|1,0,1]=4 2209 B13R1.75 COc1ccc(c(c1)Cl)CNCF 1ac20a8b880907875c9ca650d66f77ef [0,2,0,0,0,0|1,0,0]=3 2210 B13R1.75 COc1ccc(c(c1)Cl)CNCO 280714cfa41abdfff8ec9d814972f467 [0,2,0,0,0,0|1,0,0]=3 2211 B13R1.75 COc1ccc(c(c1)Cl)COCF 8abe42a96e9c0c2588637f9d773482be [0,2,0,0,0,0|1,0,0]=3 2212 B13R1.75 COc1ccc(c(c1)Cl)NCC#N 17c9c13379f75b01ca4122ff8d7b7816 [0,2,0,0,0,0|1,0,1]=4 2213 B13R1.75 COc1ccc(c(c1)Cl)NCC=O b24c60e0820510028ee08e3ec614451c [0,2,0,0,0,0|1,0,1]=4 2214 B13R1.75 COc1ccc(c(c1)Cl)NCCF ac38ba2f85f9de2bfb870cba65f3d298 [0,2,0,0,0,0|1,0,0]=3 2215 B13R1.75 COc1ccc(c(c1)Cl)NCCO 96629d0a62dff7d3693a8e3a9e15e7b0 [0,2,0,0,0,0|1,0,0]=3 2216 B13R1.75 COc1ccc(c(c1)Cl)NCCS 8ad4f5de62ae1becfd9917cfe563f321 [0,2,0,0,0,0|1,0,0]=3 2217 B13R1.75 COc1ccc(c(c1)Cl)NCSC f63fe3f193a78fe9d6fdf82f1212e3d1 [0,2,0,0,0,0|1,0,0]=3 2218 B13R1.75 COc1ccc(c(c1)Cl)OCC#N cfee06a5c5ccd06a03d5e6d3da1a3b26 [0,2,0,0,0,0|1,0,1]=4 2219 B13R1.75 COc1ccc(c(c1)Cl)OCC=O 130c3fb65a0d0e4ed333aad03cfac55c [0,2,0,0,0,0|1,0,1]=4 2220 B13R1.75 COc1ccc(c(c1)Cl)OCCF 8341c48319cd7d79019ce3b0a1650231 [0,2,0,0,0,0|1,0,0]=3 2221 B13R1.75 COc1ccc(c(c1)Cl)OCCS d02111567bb2f5303de05ac1f16c8b3a [0,2,0,0,0,0|1,0,0]=3 2222 B13R1.75 COc1ccc(c(c1)Cl)OCSC 4e597c1b0260ab55d57f471b0cc3ff6b [0,2,0,0,0,0|1,0,0]=3 2223 B13R1.75 COc1ccc(c(c1)F)CNC#N f5af8af2d9d09fd53ceea2f65d522b33 [0,2,0,0,0,0|1,0,1]=4 2224 B13R1.75 COc1ccc(c(c1)F)CNC=O 62dc3714cc58664c6612e69510b834b9 [0,2,0,0,0,0|1,0,1]=4 2225 B13R1.75 COc1ccc(c(c1)F)CNCF a37e37e85bd5348de983b71e3a87d246 [0,2,0,0,0,0|1,0,0]=3 2226 B13R1.75 COc1ccc(c(c1)F)CNCO b5aeebee11dbdc0f1332dd03b96d0abf [0,2,0,0,0,0|1,0,0]=3 2227 B13R1.75 COc1ccc(c(c1)F)COCF d53625e07979ca99284169045103b1aa [0,2,0,0,0,0|1,0,0]=3 2228 B13R1.75 COc1ccc(c(c1)F)NCC#N 264eaf84f63d39fd8fd31cdf91589a76 [0,2,0,0,0,0|1,0,1]=4 2229 B13R1.75 COc1ccc(c(c1)F)NCC=O c0cd10392b0a089d3c628a72ec6a0c38 [0,2,0,0,0,0|1,0,1]=4 2230 B13R1.75 COc1ccc(c(c1)F)NCCF 66c7bb9059deb8fe3f41e34d0063f7f3 [0,2,0,0,0,0|1,0,0]=3 2231 B13R1.75 COc1ccc(c(c1)F)NCCI 4aeca94312a22913b9f81e74943532cf [0,2,0,0,0,0|1,0,0]=3 2232 B13R1.75 COc1ccc(c(c1)F)NCCO 9e3c9d3c8d71a74d4074c616950c03e2 [0,2,0,0,0,0|1,0,0]=3 2233 B13R1.75 COc1ccc(c(c1)F)NCCS 0b85de5784bfcf63ef32d0f5eea98562 [0,2,0,0,0,0|1,0,0]=3 2234 B13R1.75 COc1ccc(c(c1)F)NCSC 02eea4d20a83d509485e5cc4924ee756 [0,2,0,0,0,0|1,0,0]=3 2235 B13R1.75 COc1ccc(c(c1)F)OCC#N 20873dc35194750e66606e8cf5cbbd11 [0,2,0,0,0,0|1,0,1]=4 2236 B13R1.75 COc1ccc(c(c1)F)OCC=O ffeda06e22807f2ef9bb8829a364a8fc [0,2,0,0,0,0|1,0,1]=4 2237 B13R1.75 COc1ccc(c(c1)F)OCCF 28d9f65ddd35157d4094688e40216de9 [0,2,0,0,0,0|1,0,0]=3 2238 B13R1.75 COc1ccc(c(c1)F)OCCS 6455f81ca925e98135491de546ad9aa9 [0,2,0,0,0,0|1,0,0]=3 2239 B13R1.75 COc1ccc(c(c1)F)OCSC bd060b04785c6cf86a18518b62bee743 [0,2,0,0,0,0|1,0,0]=3 2240 B13R1.75 COc1ccc(c(c1)I)NCC#N 7e93e03f8ffa680c15bf3c79e56aceb4 [0,2,0,0,0,0|1,0,1]=4 2241 B13R1.75 COc1ccc(c(c1)I)NCC=O c36ab9a14e07cddedb54cb88810118dc [0,2,0,0,0,0|1,0,1]=4 2242 B13R1.75 COc1ccc(c(c1)I)NCCF 02e9fc3b1a9ee1ea4b0cac33efc8b441 [0,2,0,0,0,0|1,0,0]=3 2243 B13R1.75 COc1ccc(c(c1)I)NCCO 43feb1b9a4c692c136fa0c5394c0af50 [0,2,0,0,0,0|1,0,0]=3 2244 B13R1.75 COc1ccc(c(c1)I)NCCS 5defb1ae704ce5765726700d692cd973 [0,2,0,0,0,0|1,0,0]=3 2245 B13R1.75 COc1ccc(c(c1)I)NCSC 5a21f369801560459b89d42f59b3f443 [0,2,0,0,0,0|1,0,0]=3 2246 B13R1.75 COc1ccc(c(c1)I)OCC#N 7a461585a7d9d686fe95e376dc23cc46 [0,2,0,0,0,0|1,0,1]=4 2247 B13R1.75 COc1ccc(c(c1)I)OCC=O 02a50b1d293bf8bdb1928ec8b2f41dde [0,2,0,0,0,0|1,0,1]=4 2248 B13R1.75 COc1ccc(c(c1)I)OCCF 97b6e73a2cb98b811118e453c7e31493 [0,2,0,0,0,0|1,0,0]=3 2249 B13R1.75 COc1ccc(c(c1)I)OCCS 3c6034ecce8a5e3cadfe6e0467bc7b84 [0,2,0,0,0,0|1,0,0]=3 2250 B13R1.75 COc1ccc(c(c1)I)OCSC 5d496b4f30675ad0dd6e82d76f625bec [0,2,0,0,0,0|1,0,0]=3 2251 B13R1.75 COc1ccc(c(c1)S)NCC#N 296f7114fa2e66e7c4edd54a93943e58 [0,2,0,0,0,0|1,0,1]=4 2252 B13R1.75 COc1ccc(c(c1)S)NCC=O d25d0d2f6387c4bef9e29325ea0c91ef [0,2,0,0,0,0|1,0,1]=4 2253 B13R1.75 COc1ccc(c(c1)S)NCCF afd91539dfdefbf7a43d22253d0ef79a [0,2,0,0,0,0|1,0,0]=3 2254 B13R1.75 COc1ccc(c(c1)S)NCCO 1bc365ab7b8426ca4f085bc5f9763b3b [0,2,0,0,0,0|1,0,0]=3 2255 B13R1.75 COc1ccc(c(c1)S)NCCS 98a0954f31bb416ca3a9bfa77bc259bc [0,2,0,0,0,0|1,0,0]=3 2256 B13R1.75 COc1ccc(c(c1)S)NCSC d781929f9fa75c4f8ef5f12727bcf813 [0,2,0,0,0,0|1,0,0]=3 2257 B13R1.75 COc1ccc(c(n1)Br)CNCF 652cde95112adc189da4ad4cef11f650 [0,2,0,0,0,0|2,0,0]=4 2258 B13R1.75 COc1ccc(c(n1)Br)CNCO ee87cd4224ddca3415ae020434df337e [0,2,0,0,0,0|2,0,0]=4 2259 B13R1.75 COc1ccc(c(n1)Br)COCF 6df43cd12312f202d96e2edffa57f3a1 [0,2,0,0,0,0|2,0,0]=4 2260 B13R1.75 COc1ccc(c(n1)Br)NCCF d9b4c34f2ec945917fd12cbbc41772ff [0,2,0,0,0,0|2,0,0]=4 2261 B13R1.75 COc1ccc(c(n1)Br)NCCO e5b8bcf712b914abe22928274c10abe9 [0,2,0,0,0,0|2,0,0]=4 2262 B13R1.75 COc1ccc(c(n1)Br)NCCS 4c146070d5bfffa690635030aa6bb56c [0,2,0,0,0,0|2,0,0]=4 2263 B13R1.75 COc1ccc(c(n1)Br)OCCS 5c6c979abf27e9946069260cce2fe4b8 [0,2,0,0,0,0|2,0,0]=4 2264 B13R1.75 COc1ccc(c(n1)Br)OCSC 133ad864dc99d3afedab61ce9cd4fbbf [0,2,0,0,0,0|2,0,0]=4 2265 B13R1.75 COc1ccc(c(n1)C)CNCF d5d0a487a024b9006efb788e685901f6 [0,2,0,0,0,0|2,0,0]=4 2266 B13R1.75 COc1ccc(c(n1)C)CNCO d19f02b945e62fda3a793ee2c061c192 [0,2,0,0,0,0|2,0,0]=4 2267 B13R1.75 COc1ccc(c(n1)C)COCF aad77a46eb6ebb327673ef49a4bdeb4d [0,2,0,0,0,0|2,0,0]=4 2268 B13R1.75 COc1ccc(c(n1)C)NCCF 390370193bed185ec7d62afa2cb78172 [0,2,0,0,0,0|2,0,0]=4 2269 B13R1.75 COc1ccc(c(n1)C)NCCO aa7cfb82915d933f2497c907d0737c8f [0,2,0,0,0,0|2,0,0]=4 2270 B13R1.75 COc1ccc(c(n1)C)NCCS c6f41732239c4aff02c4cc8d33bc5482 [0,2,0,0,0,0|2,0,0]=4 2271 B13R1.75 COc1ccc(c(n1)C)OCCF d7cd223e7b4fd5b1dfea83304bfd7444 [0,2,0,0,0,0|2,0,0]=4 2272 B13R1.75 COc1ccc(c(n1)C)OCCS 916ade1f01c9024bc956dc0740c07f8e [0,2,0,0,0,0|2,0,0]=4 2273 B13R1.75 COc1ccc(c(n1)C)OCSC 6cf89a58442631f4b491ef2ffeeaae4a [0,2,0,0,0,0|2,0,0]=4 2274 B13R1.75 COc1ccc(c(n1)Cl)COCF 11f5c999d94b4725b4a9523837aeba93 [0,2,0,0,0,0|2,0,0]=4 2275 B13R1.75 COc1ccc(c(n1)Cl)NCCF be9eb7908f71c9b0f92726a23c57516c [0,2,0,0,0,0|2,0,0]=4 2276 B13R1.75 COc1ccc(c(n1)Cl)NCCO 7248c111657c88487175b0564b570483 [0,2,0,0,0,0|2,0,0]=4 2277 B13R1.75 COc1ccc(c(n1)Cl)NCCS 9307a8299c86a7b62c2fb2fa8481c21f [0,2,0,0,0,0|2,0,0]=4 2278 B13R1.75 COc1ccc(c(n1)Cl)NCSC 8eee4f62590a8c3fe91dda1a6bdb4429 [0,2,0,0,0,0|2,0,0]=4 2279 B13R1.75 COc1ccc(c(n1)Cl)OCCF 7ef7416514f61d4f4eb3a2033fa18b54 [0,2,0,0,0,0|2,0,0]=4 2280 B13R1.75 COc1ccc(c(n1)Cl)OCCS 2a22c1ea1504782c5015dd0a847afb0b [0,2,0,0,0,0|2,0,0]=4 2281 B13R1.75 COc1ccc(c(n1)Cl)OCSC 4f089e5240404fdd7fd6cc94b634921d [0,2,0,0,0,0|2,0,0]=4 2282 B13R1.75 COc1ccc(c(n1)F)NCCF fa2166043cabba702e9b52665dee2db4 [0,2,0,0,0,0|2,0,0]=4 2283 B13R1.75 COc1ccc(c(n1)F)NCCO 486c371e0cc178d555bb3e219288260e [0,2,0,0,0,0|2,0,0]=4 2284 B13R1.75 COc1ccc(c(n1)F)NCCS fb5cfd3d106650dbcb382dac10a29c4e [0,2,0,0,0,0|2,0,0]=4 2285 B13R1.75 COc1ccc(c(n1)F)NCSC da74e8ac4c1344a1ca149a2cc619e8fc [0,2,0,0,0,0|2,0,0]=4 2286 B13R1.75 COc1cnc(c(c1)Br)NCCF 3e15000c5a00ea435a7b0c197f401d86 [0,2,0,0,0,0|2,0,0]=4 2287 B13R1.75 COc1cnc(c(c1)Br)NCCO 38e9c646c272916b825fbb3a685f04b4 [0,2,0,0,0,0|2,0,0]=4 2288 B13R1.75 COc1cnc(c(c1)Br)NCCS a7c585ee0c332dc78b83f677048e704c [0,2,0,0,0,0|2,0,0]=4 2289 B13R1.75 COc1cnc(c(c1)Br)NCSC e492097fe4645ccb9d00a444e6828e59 [0,2,0,0,0,0|2,0,0]=4 2290 B13R1.75 COc1cnc(c(c1)C)CNCF d189d6e0465ac3b086f2466046d3c8d5 [0,2,0,0,0,0|2,0,0]=4 2291 B13R1.75 COc1cnc(c(c1)C)CNCO 4f47aa131e57899c76cfe7690b62427d [0,2,0,0,0,0|2,0,0]=4 2292 B13R1.75 COc1cnc(c(c1)C)NCCF 4cd81c8a7a9189c4d9164c599c4d616a [0,2,0,0,0,0|2,0,0]=4 2293 B13R1.75 COc1cnc(c(c1)C)NCCO 47d3b9531dc9d2645b4263ae7d0b2bf8 [0,2,0,0,0,0|2,0,0]=4 2294 B13R1.75 COc1cnc(c(c1)C)NCCS 04094f6900e4ae43aa5ec0704877f7e8 [0,2,0,0,0,0|2,0,0]=4 2295 B13R1.75 COc1cnc(c(c1)C)NCSC 3e0a8e5882b108c370c0304801ab68ce [0,2,0,0,0,0|2,0,0]=4 2296 B13R1.75 COc1cnc(c(c1)Cl)COCF b4c2ec60408242b287b10d7c66623f2b [0,2,0,0,0,0|2,0,0]=4 2297 B13R1.75 COc1cnc(c(c1)Cl)OCCF 73c01b5fac4efc9e49e7cc033c1f940c [0,2,0,0,0,0|2,0,0]=4 2298 B13R1.75 COc1cnc(c(c1)Cl)OCCS 8234d5f971bbbe113d400734ca2c1a92 [0,2,0,0,0,0|2,0,0]=4 2299 B13R1.75 COc1cnc(c(c1)Cl)OCSC 51ff00853e49202e433506ee765a9eef [0,2,0,0,0,0|2,0,0]=4 2300 B13R1.75 COc1cnc(c(c1)F)NCCF d2a43ff380e0b90abe0f410ae3d6f209 [0,2,0,0,0,0|2,0,0]=4 2301 B13R1.75 COc1cnc(c(c1)F)NCCO 0779adfc6444a23fe49db91ecc5b850c [0,2,0,0,0,0|2,0,0]=4 2302 B13R1.75 COc1cnc(c(c1)F)NCCS 516cd4fd1cb0638a99d58e0ab8834819 [0,2,0,0,0,0|2,0,0]=4 2303 B13R1.75 COc1cnc(c(c1)F)NCSC 0814f81a1d8492078fbb6809163e42eb [0,2,0,0,0,0|2,0,0]=4 2304 B13R1.75 CSCNc1ccc(cc1F)SC 905c7a45341b897d88d3642ff131fb15 [0,2,0,0,0,0|1,1,0]=4 2305 B13R1.75 CSCOc1ccc(cc1Br)SC 0d373169841b92bc4d31e2f2a791ecd0 [0,2,0,0,0,0|1,1,0]=4 2306 B13R1.75 CSCOc1ccc(cc1C)SC 7a1a16808a21501b1e255a603eb6b559 [0,2,0,0,0,0|1,1,0]=4 2307 B13R1.75 CSc1ccc(c(c1)Br)OCCF 62ebb2c6e303cbecf89019145af21b26 [0,2,0,0,0,0|1,1,0]=4 2308 B13R1.75 CSc1ccc(c(c1)Br)OCCS f8e4c273e7060e86f74dab173f15ba88 [0,2,0,0,0,0|1,1,0]=4 2309 B13R1.75 CSc1ccc(c(c1)C)COCF c7e2febd9aeb1168b8314f1c15afc7b4 [0,2,0,0,0,0|1,1,0]=4 2310 B13R1.75 CSc1ccc(c(c1)C)NCCF ef0f872ccda469db7da5b7ad4852154f [0,2,0,0,0,0|1,1,0]=4 2311 B13R1.75 CSc1ccc(c(c1)C)NCCO 9bf69385233d92d3afa7c529f1d7ef9e [0,2,0,0,0,0|1,1,0]=4 2312 B13R1.75 CSc1ccc(c(c1)C)NCCS 58652b9c645f0550bc6efa4890d8acc9 [0,2,0,0,0,0|1,1,0]=4 2313 B13R1.75 CSc1ccc(c(c1)C)OCCF d6a2ce2dfcc27604a48ab029bf8c6f39 [0,2,0,0,0,0|1,1,0]=4 2314 B13R1.75 CSc1ccc(c(c1)C)OCCS bf913df617d39b0f406dab6cce685963 [0,2,0,0,0,0|1,1,0]=4 2315 B13R1.75 CSc1ccc(c(c1)F)NCCF f2a238a417db1342ef8b899746670c27 [0,2,0,0,0,0|1,1,0]=4 2316 B13R1.75 CSc1ccc(c(c1)F)NCCO 073f764532d845231f8891c497acc08c [0,2,0,0,0,0|1,1,0]=4 2317 B13R1.75 CSc1ccc(c(c1)F)NCCS 3ca100434afa94ca1458d520274b0de5 [0,2,0,0,0,0|1,1,0]=4 2318 B13R1.77 C#CCNc1ccc(cc1)CCBr d617002f072c209f2d55806036aedd0c [0,2,0,0,0,0|2,0,0]=4 2319 B13R1.77 C#CCNc1ccc(cc1)CCC e1a1544fe8f0ee484504e9c6bf1a4ea3 [0,2,0,0,0,0|1,0,0]=3 2320 B13R1.77 C#CCNc1ccc(cc1)CCO 7c79c520475e4e001b1a2501d4e27a80 [0,2,0,0,0,0|2,0,0]=4 2321 B13R1.77 C#CCNc1ccc(cc1)COC 95af19c6c4f7fd8ca8648c20a4fa8db3 [0,2,0,0,0,0|0,0,2]=4 2322 B13R1.77 C#CCNc1ccc(cc1)CSC 3063d65e14746cef0faffcd97480d796 [0,2,0,0,0,0|2,0,0]=4 2323 B13R1.77 C#CCNc1ccc(cc1)OCC e999baa0776828708aa39518d367a8bc [0,2,0,0,0,0|0,0,2]=4 2324 B13R1.77 C#CCNc1ccc(cc1)OCF 70ae3646b58c491eeae8ea7864506ae1 [0,2,0,0,0,0|0,0,2]=4 2325 B13R1.77 C#CCOc1ccc(cc1)CC#C 6d01bf977f15122b50ddabf711087e30 [0,2,0,0,0,0|0,0,2]=4 2326 B13R1.77 C#CCOc1ccc(cc1)CC#N 43ab9e191716c19ff21b3ee2c198d5ba [0,2,0,0,0,0|1,0,1]=4 2327 B13R1.77 C#CCOc1ccc(cc1)CC=C ea0dffe660ba41d7aa00906e8eeb425b [0,2,0,0,0,0|0,0,2]=4 2328 B13R1.77 C#CCOc1ccc(cc1)CC=O d1b611d510fdf9c285637bdc40c1777a [0,2,0,0,0,0|1,0,1]=4 2329 B13R1.77 C#CCOc1ccc(cc1)CCF 7d004ff6b01135f11f545cb4f334538e [0,2,0,0,0,0|1,0,0]=3 2330 B13R1.77 C#CCOc1ccc(cc1)COC 24da1871245698301f8295e5b8b3d779 [0,2,0,0,0,0|1,0,0]=3 2331 B13R1.77 C#CCOc1ccc(cc1)NCC 1d1ae7765c51b6ec1065687064058392 [0,2,0,0,0,0|1,0,0]=3 2332 B13R1.77 C#CCOc1ccc(cc1)NCF feda210b1e4ad4cf9208cf7cd06cfaa3 [0,2,0,0,0,0|2,0,0]=4 2333 B13R1.77 C#CCOc1ccc(cc1)NCO b5c0b838c0ed99b2000ac5f2d1a08b5a [0,2,0,0,0,0|2,0,0]=4 2334 B13R1.77 C#CCOc1ccc(cc1)OCC c213523b1fb6b42f2bb3fa5a4db077e8 [0,2,0,0,0,0|1,0,0]=3 2335 B13R1.77 C#CCOc1ccc(cc1)OCF 9c34ce53d99deee37a02792c8ecb684a [0,2,0,0,0,0|0,0,2]=4 2336 B13R1.77 C#CCOc1ccc(cc1)SCC 546a89bba7eea632752203074041fb44 [0,2,0,0,0,0|1,0,0]=3 2337 B13R1.77 C#CCOc1ccc(nc1)OCC 97566209f16e888c6665ae5a48796609 [0,2,0,0,0,0|2,0,0]=4 2338 B13R1.77 C#CCc1ccc(cc1)COCC 336ce8cb4ce1887e28a52c3e8e8dbafd [0,2,0,0,0,0|0,0,2]=4 2339 B13R1.77 C#CCc1ccc(cc1)COCF 4b6879436607b80121744b2c88088956 [0,2,0,0,0,0|0,0,2]=4 2340 B13R1.77 C#CCc1ccc(cc1)OCC#N e396224db9ea2731e3a77d0dfd762e5a [0,2,0,0,0,0|0,0,2]=4 2341 B13R1.77 C#CCc1ccc(cc1)OCC=C 7e130ca341807734b84f7796d1823d7b [0,2,0,0,0,0|0,0,2]=4 2342 B13R1.77 C#CCc1ccc(cc1)OCC=O 795b443761886a392026a201d83a01f3 [0,2,0,0,0,0|0,0,2]=4 2343 B13R1.77 C#CCc1ccc(cc1)OCCC 0c89b4e29422de9d2c175d170da329cc [0,2,0,0,0,0|0,0,2]=4 2344 B13R1.77 C#CCc1ccc(cc1)OCCF d3bc66eaeaadf0c5574ccd3fd5225aa0 [0,2,0,0,0,0|0,0,2]=4 2345 B13R1.77 C#CCc1ccc(cc1)OCCS 7f54b0d2ddd3efe1f798e47db1a0711c [0,2,0,0,0,0|0,0,2]=4 2346 B13R1.77 C#CCc1ccc(cc1)OCOC 54da24b1107a4f114318822204de6e1e [0,2,0,0,0,0|0,0,2]=4 2347 B13R1.77 C#CCc1ccc(cc1)OCSC 55d35a2722c76afd62f891bf08e9b703 [0,2,0,0,0,0|0,0,2]=4 2348 B13R1.77 C=CCCc1ccc(cc1)OCC a2178d708dad6e384dd03790154b50ea [0,2,0,0,0,0|0,0,1]=3 2349 B13R1.77 C=CCCc1ccc(cc1)OCF b18dfb6a8fd158fdbc0857531bd6acf0 [0,2,0,0,0,0|0,0,1]=3 2350 B13R1.77 C=CCNc1ccc(cc1)CCBr a5f6cd33c856e7e40bc49aa6c16a9e1a [0,2,0,0,0,0|2,0,0]=4 2351 B13R1.77 C=CCNc1ccc(cc1)CCC ab8f12e82a94dbbc0c04958df1ea26ff [0,2,0,0,0,0|1,0,0]=3 2352 B13R1.77 C=CCNc1ccc(cc1)CCO 6a850a9f503a951d5b6b22b828fdb63c [0,2,0,0,0,0|2,0,0]=4 2353 B13R1.77 C=CCNc1ccc(cc1)COC 18bd5c2a068899ab28bbccca9737f4c2 [0,2,0,0,0,0|0,0,2]=4 2354 B13R1.77 C=CCNc1ccc(cc1)CSC dcb0b65ba2697e4988238cd3e685120a [0,2,0,0,0,0|2,0,0]=4 2355 B13R1.77 C=CCNc1ccc(cc1)OCC 9764297f99583ac7319e03251f76de7c [0,2,0,0,0,0|0,0,2]=4 2356 B13R1.77 C=CCNc1ccc(cc1)OCF 371d53fe4c769fe3d4503f47e88bf131 [0,2,0,0,0,0|0,0,2]=4 2357 B13R1.77 C=CCOc1ccc(cc1)CC#N 41743f6c37eef204043a7795abbe8e81 [0,2,0,0,0,0|1,0,1]=4 2358 B13R1.77 C=CCOc1ccc(cc1)CC=C 7563fecb36b3843d90e2a107a1573d4d [0,2,0,0,0,0|0,0,2]=4 2359 B13R1.77 C=CCOc1ccc(cc1)CC=O 866410ff39075ca2267f3654d7d969e3 [0,2,0,0,0,0|1,0,1]=4 2360 B13R1.77 C=CCOc1ccc(cc1)CCC d0e52fbdb23affe980829808e08e1c02 [0,2,0,0,0,0|0,0,0]=2 2361 B13R1.77 C=CCOc1ccc(cc1)CCF 1286dfbc76249613b6e32d67baf3737a [0,2,0,0,0,0|1,0,0]=3 2362 B13R1.77 C=CCOc1ccc(cc1)COC cab2c5dd1167d7f14e9f5ba3d27d71e6 [0,2,0,0,0,0|1,0,0]=3 2363 B13R1.77 C=CCOc1ccc(cc1)NCC e47f5456ac59d455bb47d81d9af0579a [0,2,0,0,0,0|1,0,0]=3 2364 B13R1.77 C=CCOc1ccc(cc1)NCF 3f63a27321636d11e93562f817bfca77 [0,2,0,0,0,0|2,0,0]=4 2365 B13R1.77 C=CCOc1ccc(cc1)NCO 62f944f51ef897526aa291400ad083fa [0,2,0,0,0,0|2,0,0]=4 2366 B13R1.77 C=CCOc1ccc(cc1)OCC e9d5bd017066b959c7bf16ef0ffe8bf5 [0,2,0,0,0,0|1,0,0]=3 2367 B13R1.77 C=CCOc1ccc(cc1)OCF 5d67e4b5574a750ed3fd6d95b8ceb51d [0,2,0,0,0,0|0,0,2]=4 2368 B13R1.77 C=CCOc1ccc(cc1)SCC a63e9ab4729b2bf4f34a26a1c223ff27 [0,2,0,0,0,0|1,0,0]=3 2369 B13R1.77 C=CCOc1ccc(nc1)OCC 1f3708fa0fa7059092096f21ad34e989 [0,2,0,0,0,0|2,0,0]=4 2370 B13R1.77 C=CCc1ccc(cc1)NCCC b19e8134e99af6cadc3ffe772c566ec4 [0,2,0,0,0,0|1,0,1]=4 2371 B13R1.77 C=CCc1ccc(cc1)NCOC c5d5cc8c863772142c5dba6b33e140d4 [0,2,0,0,0,0|0,0,2]=4 2372 B13R1.77 C=CCc1ccc(cc1)OCC#N 87b580075aff24cc925615bbcff7cc8c [0,2,0,0,0,0|0,0,2]=4 2373 B13R1.77 C=CCc1ccc(cc1)OCC=O 4eca52b63c7394415a34609f63a55fbd [0,2,0,0,0,0|0,0,2]=4 2374 B13R1.77 C=CCc1ccc(cc1)OCCC 6ef64ea209313e7dad11797f3be3d8ac [0,2,0,0,0,0|0,0,2]=4 2375 B13R1.77 C=CCc1ccc(cc1)OCCF 52e142f7e2988d2360acdf6f395d7abf [0,2,0,0,0,0|0,0,2]=4 2376 B13R1.77 C=CCc1ccc(cc1)OCCS abf67bcc6a566b48b0111943b6da65ec [0,2,0,0,0,0|0,0,2]=4 2377 B13R1.77 C=CCc1ccc(cc1)OCOC 9d0571c06fe57ccd511f8988b11e5f14 [0,2,0,0,0,0|0,0,2]=4 2378 B13R1.77 C=CCc1ccc(cc1)OCSC fe6bf0eb86d8da42873a5dd8e792562c [0,2,0,0,0,0|0,0,2]=4 2379 B13R1.77 C=COc1ccc(cc1)COCC 5f15455ee800755bed98ac017e2414b4 [0,2,0,0,0,0|0,0,1]=3 2380 B13R1.77 C=COc1ccc(cc1)COCF 3ab4d7b150d2bed92df645be9ebf135e [0,2,0,0,0,0|1,0,1]=4 2381 B13R1.77 C=COc1ccc(cc1)NCCI 6a8d028951bdee551c0f7f2bd2d6e051 [0,2,0,0,0,0|1,0,1]=4 2382 B13R1.77 C=COc1ccc(cc1)NCCO 5e83f50c7e80e417fb3435098d2f07c7 [0,2,0,0,0,0|1,0,1]=4 2383 B13R1.77 C=COc1ccc(cc1)NCCS cb67c52171d3b5a60a2ae2cb4510086b [0,2,0,0,0,0|1,0,1]=4 2384 B13R1.77 CCCCc1ccc(cc1)NC=O d3e3e5b9c22c0a083a324ef77935f34e [0,2,0,0,0,0|1,0,1]=4 2385 B13R1.77 CCCCc1ccc(cc1)NCC b518e9d0dd6ce7fd1cddbeb0affcb9bf [0,2,0,0,0,0|1,0,0]=3 2386 B13R1.77 CCCCc1ccc(cc1)NCF 0564863d9b9e8a001aa30cd2f7dd4ee3 [0,2,0,0,0,0|1,0,0]=3 2387 B13R1.77 CCCCc1ccc(cc1)NCO 59d66da164b63647a719674e0fd40397 [0,2,0,0,0,0|1,0,0]=3 2388 B13R1.77 CCCCc1ccc(cc1)OCC 747ca328e093f103f21b4fe8fa01e74c [0,2,0,0,0,0|0,0,0]=2 2389 B13R1.77 CCCCc1ccc(cc1)OCF 354a03100bde48fa24b9ebc472fb0002 [0,2,0,0,0,0|0,0,0]=2 2390 B13R1.77 CCCNc1ccc(cc1)CC#N 75db8f739cf0bf1ade5c5a0e5c395caf [0,2,0,0,0,0|1,0,1]=4 2391 B13R1.77 CCCNc1ccc(cc1)CC=O 010c3a4e679d81bdaee22a10403ef190 [0,2,0,0,0,0|1,0,1]=4 2392 B13R1.77 CCCNc1ccc(cc1)CCBr b75361d196646d858f992d872d5459a1 [0,2,0,0,0,0|1,0,0]=3 2393 B13R1.77 CCCNc1ccc(cc1)CCC 2e57ee28615a0e77d671cfc159aa6e31 [0,2,0,0,0,0|1,0,0]=3 2394 B13R1.77 CCCNc1ccc(cc1)CCO 96f127497d4a210d05efbba788e17b92 [0,2,0,0,0,0|1,0,0]=3 2395 B13R1.77 CCCNc1ccc(cc1)COC 7c794509037f57c3fe553501c38b9854 [0,2,0,0,0,0|0,0,0]=2 2396 B13R1.77 CCCNc1ccc(cc1)CON cca5b8bd2283fd226d15d2f94d9137af [0,2,0,0,0,0|1,0,0]=3 2397 B13R1.77 CCCNc1ccc(cc1)CSC 8b0e81b2ae648c952c8fc03d909065fa [0,2,0,0,0,0|0,1,0]=3 2398 B13R1.77 CCCNc1ccc(cc1)NC=O 0c5cb2a019f33e517bfdf34b4282bb6f [0,2,0,0,0,0|1,0,1]=4 2399 B13R1.77 CCCNc1ccc(cc1)OCC 7bd7b91a14d8c5ee8e771eebad1c536e [0,2,0,0,0,0|0,0,0]=2 2400 B13R1.77 CCCNc1ccc(cc1)OCF 94dbb223d0eb56ff31b72f64f7429edd [0,2,0,0,0,0|0,0,0]=2 2401 B13R1.77 CCCNc1ccc(cc1)SC#N 10687938be77ecad093a1f925201e9c1 [0,2,0,0,0,0|0,1,1]=4 2402 B13R1.77 CCCNc1ccc(cn1)CCO 92af90cf804510648a6e81e4946ac5aa [0,2,0,0,0,0|2,0,0]=4 2403 B13R1.77 CCCNc1ccc(cn1)COC 0dfe258639aa07e7c5e57db4aa6aa027 [0,2,0,0,0,0|1,0,0]=3 2404 B13R1.77 CCCNc1ccc(cn1)CSC aa62be7ab89349968b0bd8a4ecc98358 [0,2,0,0,0,0|1,1,0]=4 2405 B13R1.77 CCCNc1ccc(cn1)OCC 5d5e2e2e573276afebaa1217c0e9aef3 [0,2,0,0,0,0|1,0,0]=3 2406 B13R1.77 CCCNc1ccc(nc1)COC b676581061d445d7702e08370f2a79c7 [0,2,0,0,0,0|1,0,0]=3 2407 B13R1.77 CCCNc1ccc(nc1)CON 0f7230135eac328b62ab1ea7d3854fb8 [0,2,0,0,0,0|2,0,0]=4 2408 B13R1.77 CCCNc1ccc(nc1)OCC ed0644af6303e697c8b7e579bd9769f0 [0,2,0,0,0,0|1,0,0]=3 2409 B13R1.77 CCCNc1ccc(nc1)SCC 8dc1fefa52421c0b31d5a451c1ef2163 [0,2,0,0,0,0|1,1,0]=4 2410 B13R1.77 CCCNc1ccc(nn1)OCC 14fa7204639c42e806548859604b6041 [0,2,0,0,0,0|2,0,0]=4 2411 B13R1.77 CCCNc1cnc(cn1)OCC 7f2be6527ed3606e25878d27513366ba [0,2,0,0,0,0|2,0,0]=4 2412 B13R1.77 CCCNc1cnc(nc1)OCC 2ba0ac0a2e926a6e26aa1f9d5dd4f928 [0,2,0,0,0,0|2,0,0]=4 2413 B13R1.77 CCCNc1ncc(cn1)OCC a0a9175cba2cc3127134724dfb458886 [0,2,0,0,0,0|2,0,0]=4 2414 B13R1.77 CCCOc1ccc(cc1)CC#N 1cb702313b3bca938c7fbd4ddcd2a2c4 [0,2,0,0,0,0|1,0,1]=4 2415 B13R1.77 CCCOc1ccc(cc1)CC=O 55d9e6ebc77ab5681bd1a76124399f6d [0,2,0,0,0,0|1,0,1]=4 2416 B13R1.77 CCCOc1ccc(cc1)CCC f95fcb4c98da199ff6f4109ef485f690 [0,2,0,0,0,0|0,0,0]=2 2417 B13R1.77 CCCOc1ccc(cc1)CCF 5d640b38416e16bf14941cf3950067e2 [0,2,0,0,0,0|1,0,0]=3 2418 B13R1.77 CCCOc1ccc(cc1)COC 07e8206ea9a412c5ca73af3b3ce5c147 [0,2,0,0,0,0|0,0,0]=2 2419 B13R1.77 CCCOc1ccc(cc1)NC#N f1a879529754507f949540123628e0a6 [0,2,0,0,0,0|1,0,1]=4 2420 B13R1.77 CCCOc1ccc(cc1)NC=O 10941f62cdc3189343ec4ec61f19c53c [0,2,0,0,0,0|1,0,1]=4 2421 B13R1.77 CCCOc1ccc(cc1)NCC f5522ad8d61376d6042ebf9e3809099b [0,2,0,0,0,0|1,0,0]=3 2422 B13R1.77 CCCOc1ccc(cc1)NCF 47aec803e70b0a50b3d3c9aca276d9da [0,2,0,0,0,0|1,0,0]=3 2423 B13R1.77 CCCOc1ccc(cc1)NCO e40e778c52137109dce3f9f186ee5956 [0,2,0,0,0,0|1,0,0]=3 2424 B13R1.77 CCCOc1ccc(cc1)OCC 05168cee22117dfc2b9eb7ac9db2e1df [0,2,0,0,0,0|0,0,0]=2 2425 B13R1.77 CCCOc1ccc(cc1)OCF 1096b7e6b571a60badfc670448eba4cd [0,2,0,0,0,0|0,0,0]=2 2426 B13R1.77 CCCOc1ccc(cc1)SCC 6c06a2fdf760bb215f7e2f385feff28a [0,2,0,0,0,0|0,1,0]=3 2427 B13R1.77 CCCOc1ccc(cn1)OCC a25d4fd22e72a7553a4dc8e541e1521f [0,2,0,0,0,0|1,0,0]=3 2428 B13R1.77 CCCOc1ccc(cn1)OCF eab3f5ef42036562ed6667d32a630506 [0,2,0,0,0,0|1,0,0]=3 2429 B13R1.77 CCCOc1ccc(nc1)OCC 65cf1f02c4c4f15afe2a953d9c8aad7a [0,2,0,0,0,0|1,0,0]=3 2430 B13R1.77 CCCOc1cnc(nc1)COC aec532299258a17bb09948fc3ef55163 [0,2,0,0,0,0|2,0,0]=4 2431 B13R1.77 CCCSc1ccc(cc1)OCC 78cc0907e1bc8a156c69520b1b58ff1e [0,2,0,0,0,0|0,0,0]=2 2432 B13R1.77 CCCSc1ccc(cc1)OCF 4574549e139d0692690ee1385340ec13 [0,2,0,0,0,0|0,0,0]=2 2433 B13R1.77 CCCc1ccc(cc1)CNC#N eb72e60937157bce9bd0d3a557b1d877 [0,2,0,0,0,0|1,0,1]=4 2434 B13R1.77 CCCc1ccc(cc1)CNC=O 842faaa658c70b99fb931ed3fa48e489 [0,2,0,0,0,0|1,0,1]=4 2435 B13R1.77 CCCc1ccc(cc1)CNCC 9688460dfb9ce6ba0d6cc21c6655be4d [0,2,0,0,0,0|1,0,0]=3 2436 B13R1.77 CCCc1ccc(cc1)CNCF 5f7cecde099479d4acad9326290417b2 [0,2,0,0,0,0|1,0,0]=3 2437 B13R1.77 CCCc1ccc(cc1)CNCO 93ac4c0e6a95f13d8c66a938e61c62fe [0,2,0,0,0,0|1,0,0]=3 2438 B13R1.77 CCCc1ccc(cc1)NCC#N d58b0314422bf46e62107e108925da44 [0,2,0,0,0,0|1,0,0]=3 2439 B13R1.77 CCCc1ccc(cc1)NCC=O b4b54e46508217eefba78d6aad215a3f [0,2,0,0,0,0|1,0,0]=3 2440 B13R1.77 CCCc1ccc(cc1)NCCF 6d12053de6522e67c496d6dee7af2ae6 [0,2,0,0,0,0|1,0,0]=3 2441 B13R1.77 CCCc1ccc(cc1)NCCO a9392ab5f642eff3560ab5ab1c1ea853 [0,2,0,0,0,0|1,0,0]=3 2442 B13R1.77 CCCc1ccc(cc1)NCCS feaac7f794bdc7ee37ffe4ba9218543d [0,2,0,0,0,0|1,0,0]=3 2443 B13R1.77 CCCc1ccc(cc1)NCOC 067b84999e9e60cebe7d6c43384fbaad [0,2,0,0,0,0|0,0,0]=2 2444 B13R1.77 CCCc1ccc(cc1)NCSC d4c5b1f4577de06624f6667d6733978c [0,2,0,0,0,0|0,1,0]=3 2445 B13R1.77 CCCc1ccc(cc1)OCC#N 8b5a3b6491ad1cfc6be11defda14333c [0,2,0,0,0,0|0,0,0]=2 2446 B13R1.77 CCCc1ccc(cc1)OCC=O a55c0e222bc736e09bda630e5aef51ae [0,2,0,0,0,0|0,0,0]=2 2447 B13R1.77 CCCc1ccc(cc1)OCCF 30ab945458449c7ba797e8a20041a938 [0,2,0,0,0,0|0,0,0]=2 2448 B13R1.77 CCCc1ccc(cc1)OCSC 879c46792a7460717d58484d833618c9 [0,2,0,0,0,0|0,0,0]=2 2449 B13R1.77 CCCc1ncc(cn1)NCOC 0c86310463a0604852a983761da2337a [0,2,0,0,0,0|2,0,0]=4 2450 B13R1.77 CCNCc1ccc(cc1)CC#N 77bb45f0cb1bf66fdcc1d6b833ec79fb [0,2,0,0,0,0|1,0,1]=4 2451 B13R1.77 CCNCc1ccc(cc1)CCO f5d784acda9c9d029800d4d8402bb7df [0,2,0,0,0,0|1,0,0]=3 2452 B13R1.77 CCNCc1ccc(cc1)COC c5c7c3d26691adc0c79cf1487d2eb632 [0,2,0,0,0,0|0,0,0]=2 2453 B13R1.77 CCNCc1ccc(cc1)OCC 1ae16c0c9464b73f17e002d0343d3e24 [0,2,0,0,0,0|0,0,0]=2 2454 B13R1.77 CCNCc1ccc(nc1)COC 50c33f4ecba0e8b6720371635ec61daa [0,2,0,0,0,0|1,0,0]=3 2455 B13R1.77 CCNCc1ccc(nc1)OCC 95b5dae914ac1a9fcefbaec9e03a652e [0,2,0,0,0,0|1,0,0]=3 2456 B13R1.77 CCNc1ccc(cc1)CCC#N 5f8aff03b92f5a2261c27dc88e9c664c [0,2,0,0,0,0|1,0,1]=4 2457 B13R1.77 CCNc1ccc(cc1)CCCO 2763aca76a01b4a07993428f4a381c25 [0,2,0,0,0,0|1,0,0]=3 2458 B13R1.77 CCNc1ccc(cc1)CCSC cfe0e126ba308762a3d7ba932cedc38d [0,2,0,0,0,0|1,0,0]=3 2459 B13R1.77 CCNc1ccc(cc1)OCCCl 3b66fdd5c6a2e7ca3056c31e7c97c18e [0,2,0,0,0,0|1,0,0]=3 2460 B13R1.77 CCNc1ccc(cc1)OCCF 97d4140fc953be09f6a059853800acb4 [0,2,0,0,0,0|1,0,0]=3 2461 B13R1.77 CCNc1ccc(cc1)OCCO cb344ad83b129181c52f06aa68bad6e5 [0,2,0,0,0,0|1,0,0]=3 2462 B13R1.77 CCNc1ccc(cc1)SCC#N c5c9d1f9923490376f015dde405ff706 [0,2,0,0,0,0|1,1,0]=4 2463 B13R1.77 CCNc1ccc(nc1)OCCO 487dbedaf4c7fe277466e946260ed814 [0,2,0,0,0,0|2,0,0]=4 2464 B13R1.77 CCOCc1ccc(cc1)CC#N c7ea89597412613c9c4fb0580de12bc6 [0,2,0,0,0,0|1,0,1]=4 2465 B13R1.77 CCOCc1ccc(cc1)COC 5ce4b5d1a8887e75b2626989237c4db9 [0,2,0,0,0,0|0,0,0]=2 2466 B13R1.77 CCOCc1ccc(cc1)OCC ac96f7972e126aa3ad5388597e3139c0 [0,2,0,0,0,0|0,0,0]=2 2467 B13R1.77 CCOCc1ccc(cc1)OCF ca086ee0e050000fd9cad5f94d28ba08 [0,2,0,0,0,0|0,0,0]=2 2468 B13R1.77 CCOCc1ccc(cc1)SCC 0a4beaf323e1caad17faeea6ac79b771 [0,2,0,0,0,0|0,1,0]=3 2469 B13R1.77 CCOCc1ccc(cn1)OCC 1c2de83832dd1c0751cdfd02a97dd882 [0,2,0,0,0,0|1,0,0]=3 2470 B13R1.77 CCOCc1ccc(nc1)OCC c3b7264c1e4154a859f1c4c509a4ae92 [0,2,0,0,0,0|1,0,0]=3 2471 B13R1.77 CCOc1ccc(cc1)CCC#N 1cf8a5ffffab40f1c9d418c992a3656d [0,2,0,0,0,0|0,0,1]=3 2472 B13R1.77 CCOc1ccc(cc1)CCC=O b379594cbce28fad2606cff6b30f6f30 [0,2,0,0,0,0|0,0,1]=3 2473 B13R1.77 CCOc1ccc(cc1)CCOC 7878c3f973763652d7216793baeb2db5 [0,2,0,0,0,0|0,0,0]=2 2474 B13R1.77 CCOc1ccc(cc1)CNC#N ef6203a943f4a81a6063753d2eda44ac [0,2,0,0,0,0|1,0,1]=4 2475 B13R1.77 CCOc1ccc(cc1)CNC=O 0e0ed90d119f75f02ef28481e0633c0d [0,2,0,0,0,0|1,0,1]=4 2476 B13R1.77 CCOc1ccc(cc1)CNCF c5b17f247fe11c6061f5f8f3b1205571 [0,2,0,0,0,0|1,0,0]=3 2477 B13R1.77 CCOc1ccc(cc1)CNCO bb79f77065727e393beb015d4516b335 [0,2,0,0,0,0|1,0,0]=3 2478 B13R1.77 CCOc1ccc(cc1)COCF 0f552afa6258318c4d5fa9db86aaf6f4 [0,2,0,0,0,0|1,0,0]=3 2479 B13R1.77 CCOc1ccc(cc1)NCC#N c54eae31bd848f425e2e5375ddd70c64 [0,2,0,0,0,0|1,0,1]=4 2480 B13R1.77 CCOc1ccc(cc1)NCC=O 137717a27a48a040f3e2938b8dab68db [0,2,0,0,0,0|1,0,1]=4 2481 B13R1.77 CCOc1ccc(cc1)NCCF 4bc9864044ad11c1420a40e3cd27868a [0,2,0,0,0,0|1,0,0]=3 2482 B13R1.77 CCOc1ccc(cc1)NCCI 5abee51e096284de85c8352b4b0a0d9c [0,2,0,0,0,0|1,0,0]=3 2483 B13R1.77 CCOc1ccc(cc1)NCCO b48dcf7ad8d70a170b833f794463bf9e [0,2,0,0,0,0|1,0,0]=3 2484 B13R1.77 CCOc1ccc(cc1)NCCS 42aec664a7d4040497bf0275af4b43ba [0,2,0,0,0,0|1,0,0]=3 2485 B13R1.77 CCOc1ccc(cc1)NCOC ec28fdf9e118b1549465155b55abcda2 [0,2,0,0,0,0|1,0,0]=3 2486 B13R1.77 CCOc1ccc(cc1)NCSC 1faba4435dab7d4da32075a75b22bece [0,2,0,0,0,0|1,0,0]=3 2487 B13R1.77 CCOc1ccc(cc1)OCC#N cca0ea5b36d034533d342cd9e641d99e [0,2,0,0,0,0|1,0,0]=3 2488 B13R1.77 CCOc1ccc(cc1)OCC=O 81207fd88aef16af24bab2ea926eee61 [0,2,0,0,0,0|1,0,0]=3 2489 B13R1.77 CCOc1ccc(cc1)OCCF 7df419943fa7e30295e3be5eb8c96b84 [0,2,0,0,0,0|1,0,0]=3 2490 B13R1.77 CCOc1ccc(cc1)OCCS 2dd972fbf82abefc404ecb1647e6d119 [0,2,0,0,0,0|1,0,0]=3 2491 B13R1.77 CCOc1ccc(cc1)OCOC 97fc6a2fcd12d4e502e799a5bd54ec49 [0,2,0,0,0,0|1,0,0]=3 2492 B13R1.77 CCOc1ccc(cc1)OCSC 1564a062e106efa597b867d9b9032881 [0,2,0,0,0,0|1,0,0]=3 2493 B13R1.77 CCOc1ccc(cn1)CNCF 25d076e651e115f7473ee5d14f4c304a [0,2,0,0,0,0|2,0,0]=4 2494 B13R1.77 CCOc1ccc(cn1)CNCO 6c013e7fba64c4b2a9276aead5144541 [0,2,0,0,0,0|2,0,0]=4 2495 B13R1.77 CCOc1ccc(cn1)COCF d098e711f1f3cb7fd138604fabb13b74 [0,2,0,0,0,0|2,0,0]=4 2496 B13R1.77 CCOc1ccc(cn1)NCCBr 5e7688c4039d58a8a6c094d60de32942 [0,2,0,0,0,0|2,0,0]=4 2497 B13R1.77 CCOc1ccc(cn1)NCCF 29e129b620250800c89b8661e912746c [0,2,0,0,0,0|2,0,0]=4 2498 B13R1.77 CCOc1ccc(cn1)NCCI 743b34913e1611768d3439e4299aeaaa [0,2,0,0,0,0|2,0,0]=4 2499 B13R1.77 CCOc1ccc(cn1)NCCO 93dfc23fe76c2c25e9f0b91926584564 [0,2,0,0,0,0|2,0,0]=4 2500 B13R1.77 CCOc1ccc(cn1)NCCS 9a65be90854dc626ab4f08ad6a51c3d1 [0,2,0,0,0,0|2,0,0]=4 2501 B13R1.77 CCOc1ccc(cn1)NCOC 63ccf1151ea43f26bbaa580cb03bd670 [0,2,0,0,0,0|2,0,0]=4 2502 B13R1.77 CCOc1ccc(cn1)NCSC 197083a780413cea38343bd3914d7933 [0,2,0,0,0,0|2,0,0]=4 2503 B13R1.77 CCOc1ccc(cn1)OCC#N 6e85c1ea2c931bf2b29eb9d34acfd010 [0,2,0,0,0,0|2,0,0]=4 2504 B13R1.77 CCOc1ccc(cn1)OCC=O 19d4b8d526eacbf9e237fe0158c23130 [0,2,0,0,0,0|2,0,0]=4 2505 B13R1.77 CCOc1ccc(cn1)OCCF 52fbd5de82cf83529eb07425548fea0a [0,2,0,0,0,0|2,0,0]=4 2506 B13R1.77 CCOc1ccc(cn1)OCCS 79164d9d8098a2ce8bbfcd0315facdc9 [0,2,0,0,0,0|2,0,0]=4 2507 B13R1.77 CCOc1ccc(cn1)OCOC 98002380e7b6883f4bc4e381a179515e [0,2,0,0,0,0|2,0,0]=4 2508 B13R1.77 CCOc1ccc(cn1)OCSC 93fc192ae3b2f1036d8bc865b5c79bca [0,2,0,0,0,0|2,0,0]=4 2509 B13R1.77 CCOc1ccc(nc1)COCF ec50916957e6729d4234e5ab886762f2 [0,2,0,0,0,0|2,0,0]=4 2510 B13R1.77 CCOc1ccc(nc1)NCCBr 3de2aebf2d86425462fc256b23e9b033 [0,2,0,0,0,0|2,0,0]=4 2511 B13R1.77 CCOc1ccc(nc1)NCCF 5e2a7c3b36b2a04cf0dd1e05f3eb8684 [0,2,0,0,0,0|2,0,0]=4 2512 B13R1.77 CCOc1ccc(nc1)NCCI fdb7ac8506050733eb95b2fd63b64bec [0,2,0,0,0,0|2,0,0]=4 2513 B13R1.77 CCOc1ccc(nc1)NCCO c013827b7066b7f93199a12a8b3e60f5 [0,2,0,0,0,0|2,0,0]=4 2514 B13R1.77 CCOc1ccc(nc1)NCCS cf6e1ed252d3ba1a9bb37301189c531d [0,2,0,0,0,0|2,0,0]=4 2515 B13R1.77 CCOc1ccc(nc1)NCOC ec599392d4c130481e38aebbc81d67bb [0,2,0,0,0,0|2,0,0]=4 2516 B13R1.77 CCOc1ccc(nc1)NCSC d31d2b7dd338544140b7574966909b2e [0,2,0,0,0,0|2,0,0]=4 2517 B13R1.77 CCSc1ccc(cc1)COCF 2a2f3598b1cb51749c16bc8f6948c7b3 [0,2,0,0,0,0|1,0,0]=3 2518 B13R1.77 CCSc1ccc(cc1)NCCS b4f790468b1ffad1bc56160a9f2d8633 [0,2,0,0,0,0|1,1,0]=4 2519 B13R1.77 CCSc1ccc(cc1)OCC#N a35d60717127bec88725aa5179bbb172 [0,2,0,0,0,0|1,0,0]=3 2520 B13R1.77 CCSc1ccc(cc1)OCC=O d1ea7ccef7c9c679a4877298659375f1 [0,2,0,0,0,0|1,0,0]=3 2521 B13R1.77 CCSc1ccc(cc1)OCCF 8a8db18d5324a9279a82b57cf73e1b11 [0,2,0,0,0,0|1,0,0]=3 2522 B13R1.77 CCSc1ccc(cc1)OCCS e9a3bab03bdc95e9e0dd0da2933c78d7 [0,2,0,0,0,0|1,0,0]=3 2523 B13R1.77 CCSc1ccc(cc1)OCOC 9817d566996bdc150fbc446fbfaf32ee [0,2,0,0,0,0|1,0,0]=3 2524 B13R1.77 CCSc1ccc(cc1)OCSC 3f170f9db5770a41849af93d582c7ea6 [0,2,0,0,0,0|1,0,0]=3 2525 B13R1.77 COCCc1ccc(cc1)NC#N 37d8e34af1f5f1da8f288869904d8d0f [0,2,0,0,0,0|1,0,1]=4 2526 B13R1.77 COCCc1ccc(cc1)OCF 41cfa48e59843a1317d840146d169634 [0,2,0,0,0,0|0,0,0]=2 2527 B13R1.77 COCNc1ccc(cc1)CC#N 3e9644d6b1c1a691b56c03256a9c2345 [0,2,0,0,0,0|1,0,1]=4 2528 B13R1.77 COCNc1ccc(cc1)CCBr ce003fcef2b556e809b3ec645c365587 [0,2,0,0,0,0|1,0,0]=3 2529 B13R1.77 COCNc1ccc(cc1)CCO 38ead8bc25477025a8ed663442769750 [0,2,0,0,0,0|1,0,0]=3 2530 B13R1.77 COCNc1ccc(cc1)COC ac013f5dba4ed54bfd1a2e76e1a14cf4 [0,2,0,0,0,0|1,0,0]=3 2531 B13R1.77 COCNc1ccc(cc1)CSC 522c99e224e929cc4d89aa51781cd5df [0,2,0,0,0,0|1,0,0]=3 2532 B13R1.77 COCNc1ccc(cc1)OCF 85481ae065914435afc5b1dd0546aee4 [0,2,0,0,0,0|1,0,0]=3 2533 B13R1.77 COCOc1ccc(cc1)CC#N c2c0d51c7a3c9721d856ff16241dd5dd [0,2,0,0,0,0|1,0,1]=4 2534 B13R1.77 COCOc1ccc(cc1)CC=O 7a3709845e26fca77207edfa9d19edf5 [0,2,0,0,0,0|1,0,1]=4 2535 B13R1.77 COCOc1ccc(cc1)CCF 32f44791ddb7281692856033b0c3352c [0,2,0,0,0,0|1,0,0]=3 2536 B13R1.77 COCOc1ccc(cc1)COC 67c7be74fad4649a042087c13beba939 [0,2,0,0,0,0|1,0,0]=3 2537 B13R1.77 COCOc1ccc(cc1)OCF 773add96be5eafa8c47b3d7c5037ab5d [0,2,0,0,0,0|1,0,0]=3 2538 B13R1.77 COCc1ccc(cc1)CNC=O d7f7cd0ee0e27c5ae94a82a1a0ad8f35 [0,2,0,0,0,0|1,0,1]=4 2539 B13R1.77 COCc1ccc(cc1)CNCF 8c5dc0ff4fdbdedcb7c7e290fe63f9d6 [0,2,0,0,0,0|1,0,0]=3 2540 B13R1.77 COCc1ccc(cc1)CNCO 6fdca4cfe250be472ac3c8ba462a4107 [0,2,0,0,0,0|1,0,0]=3 2541 B13R1.77 COCc1ccc(cc1)COCF 05f0236fa867fa499ed1ba86aa04627a [0,2,0,0,0,0|1,0,0]=3 2542 B13R1.77 COCc1ccc(cc1)NCC#N 1f678b1ba6bf2a97269b0887521b697e [0,2,0,0,0,0|1,0,1]=4 2543 B13R1.77 COCc1ccc(cc1)NCC=O 8fc3262b6503b06239e1289e3b1957a6 [0,2,0,0,0,0|1,0,1]=4 2544 B13R1.77 COCc1ccc(cc1)NCCF aa335a30c2967c7b5377501df7546c1b [0,2,0,0,0,0|1,0,0]=3 2545 B13R1.77 COCc1ccc(cc1)NCCI 0c36db1773c1663788254aec12344cfd [0,2,0,0,0,0|1,0,0]=3 2546 B13R1.77 COCc1ccc(cc1)NCCO b506952c7a6b0f33818fd2ee1033d689 [0,2,0,0,0,0|1,0,0]=3 2547 B13R1.77 COCc1ccc(cc1)NCCS fb6fe060a3673cfe72576263413b8ccf [0,2,0,0,0,0|1,0,0]=3 2548 B13R1.77 COCc1ccc(cc1)NCSC c70ff6133a6e60b944e415753a9bcedc [0,2,0,0,0,0|1,0,0]=3 2549 B13R1.77 COCc1ccc(cc1)OCC#N e17e9a707ac078e37e8824dd235cde09 [0,2,0,0,0,0|1,0,0]=3 2550 B13R1.77 COCc1ccc(cc1)OCC=O 8e9ec5bcc9d941553174184d2dbdfa95 [0,2,0,0,0,0|1,0,0]=3 2551 B13R1.77 COCc1ccc(cc1)OCCF a36921e0fcaf38721efd65024a515cbb [0,2,0,0,0,0|1,0,0]=3 2552 B13R1.77 COCc1ccc(cc1)OCCS 9fc41ee378587c7420b5dab4326abc2f [0,2,0,0,0,0|1,0,0]=3 2553 B13R1.77 COCc1ccc(cc1)OCSC be45120b34fe6e173df6bb3e6254648d [0,2,0,0,0,0|1,0,0]=3 2554 B13R1.77 COCc1ccc(cn1)CNCF ac0791c194733775e4313634fc6cb069 [0,2,0,0,0,0|2,0,0]=4 2555 B13R1.77 COCc1ccc(cn1)CNCO cdc915c355b449051474a718b171b25e [0,2,0,0,0,0|2,0,0]=4 2556 B13R1.77 COCc1ccc(cn1)NCCBr d169e68ceec451f58886e855061df59d [0,2,0,0,0,0|2,0,0]=4 2557 B13R1.77 COCc1ccc(cn1)NCCF 088b9bbd545ae0bbf05d50070ff7dfe7 [0,2,0,0,0,0|2,0,0]=4 2558 B13R1.77 COCc1ccc(cn1)NCCI 01f19b5b547bbdef8b468a8755652c6f [0,2,0,0,0,0|2,0,0]=4 2559 B13R1.77 COCc1ccc(cn1)NCCO 8aee5c76f81f9ae5c3cfe62f0100f4e7 [0,2,0,0,0,0|2,0,0]=4 2560 B13R1.77 COCc1ccc(cn1)NCCS bfc2efd1e060d78fda6148f8fed0f376 [0,2,0,0,0,0|2,0,0]=4 2561 B13R1.77 COCc1ccc(nc1)NCCBr feac8b1da7a47c7f9af4d3f3555c3f0d [0,2,0,0,0,0|2,0,0]=4 2562 B13R1.77 COCc1ccc(nc1)NCCF 843988227b651b0b79761adc672c50c9 [0,2,0,0,0,0|2,0,0]=4 2563 B13R1.77 COCc1ccc(nc1)NCCI a20855f0f7da817d9682653cdbef68d1 [0,2,0,0,0,0|2,0,0]=4 2564 B13R1.77 COCc1ccc(nc1)NCCO 0fe6e556a4108d2a584f47e59c11dce2 [0,2,0,0,0,0|2,0,0]=4 2565 B13R1.77 COCc1ccc(nc1)NCCS e9d262882a12d8cd8a7494faeb20e61a [0,2,0,0,0,0|2,0,0]=4 2566 B13R1.77 CSCCc1ccc(cc1)NC=O 9f93fe80dacd0d6bc35a2493c081e5f8 [0,2,0,0,0,0|1,0,1]=4 2567 B13R1.77 CSCCc1ccc(cc1)NCF a1c22239505fbcbb61b1ac3c704965cb [0,2,0,0,0,0|1,0,0]=3 2568 B13R1.77 CSCCc1ccc(cc1)NCO e7226afe0197fac35e90444d6bf92c6d [0,2,0,0,0,0|1,0,0]=3 2569 B13R1.77 CSCNc1ccc(cc1)CCBr a77975d75ea0c6e8f05bdc0899f047f6 [0,2,0,0,0,0|1,1,0]=4 2570 B13R1.77 CSCNc1ccc(cc1)CCO b71966a70339347dd8ee69535a7240c8 [0,2,0,0,0,0|1,1,0]=4 2571 B13R1.77 CSCNc1ccc(cc1)CSC 0335e6286b2a1c9c89ed9996749f79c5 [0,2,0,0,0,0|1,1,0]=4 2572 B13R1.77 CSCNc1ccc(cc1)OCF 8d7e2af2d78d80157fcaa17c3d50e92d [0,2,0,0,0,0|1,0,0]=3 2573 B13R1.77 CSCOc1ccc(cc1)CC#N fa2270bb540e0f5df82a5a35f2a9e34a [0,2,0,0,0,0|1,0,1]=4 2574 B13R1.77 CSCOc1ccc(cc1)CC=O d3806c7f6835c343b9ca2621a50afd5e [0,2,0,0,0,0|1,0,1]=4 2575 B13R1.77 CSCOc1ccc(cc1)CCF 8aaa6e2874ecb7b9047e142a20c97774 [0,2,0,0,0,0|1,0,0]=3 2576 B13R1.77 CSCc1ccc(cc1)NCC#N d8598531293a4bd9e22efcad9cbb0bc7 [0,2,0,0,0,0|2,0,0]=4 2577 B13R1.77 CSCc1ccc(cc1)NCC=O 29624752f7b739054454229ef11babaf [0,2,0,0,0,0|2,0,0]=4 2578 B13R1.77 CSCc1ccc(cc1)NCCF 2cdf26b686cb0edef4f501fe662850a4 [0,2,0,0,0,0|1,1,0]=4 2579 B13R1.77 CSCc1ccc(cc1)NCCO 8f734fdfd365b2004fd3f77a7efa308f [0,2,0,0,0,0|1,1,0]=4 2580 B13R1.77 CSCc1ccc(cc1)NCCS 809c2635fd44027512d661305de15091 [0,2,0,0,0,0|1,1,0]=4 2581 B13R1.77 FCCNc1ccc(cc1)CCBr a07f0c8a9389644d18bd87efa485bae6 [0,2,0,0,0,0|2,0,0]=4 2582 B13R1.77 FCCNc1ccc(cc1)OCF 7f8ff59cede356d5d82fe9df9c8f94a4 [0,2,0,0,0,0|1,0,0]=3 2583 B13R1.77 FCCOc1ccc(cc1)CCF a4f3fa2124676f2763245f65dfe9c3f2 [0,2,0,0,0,0|1,0,0]=3 2584 B13R1.77 FCCOc1ccc(cc1)NCF adbfcc70b6f25702719d78a6f236c9f4 [0,2,0,0,0,0|2,0,0]=4 2585 B13R1.77 FCCc1ccc(cc1)OCCS fedcde12e9cb1d2a012bada39b8a2cfb [0,2,0,0,0,0|1,0,0]=3 2586 B13R1.77 FCNc1ccc(cc1)OCCCl 6d023793738cbd5af478ea81181f9824 [0,2,0,0,0,0|2,0,0]=4 2587 B13R1.77 FCOc1ccc(cc1)NCCS 9454f433c3dfb4a5560af8116fbedada [0,2,0,0,0,0|1,0,0]=3 2588 B13R1.77 N#CCCc1ccc(cc1)NCF b4deeb9eb125a6260a2d280d4d3c051d [0,2,0,0,0,0|1,0,1]=4 2589 B13R1.77 N#CCCc1ccc(cc1)NCO 345fe7044e9236dbf7a964c5b8824009 [0,2,0,0,0,0|1,0,1]=4 2590 B13R1.77 N#CCCc1ccc(cc1)OCF 08bacdd97013fc5c94e99db8cea90668 [0,2,0,0,0,0|0,0,1]=3 2591 B13R1.77 N#CCNc1ccc(cc1)CCBr f168edf1bddc8582017286edadbf1075 [0,2,0,0,0,0|2,0,0]=4 2592 B13R1.77 N#CCNc1ccc(cc1)CCO 5bf6e20b7a9a5cd6328bd05547954c15 [0,2,0,0,0,0|2,0,0]=4 2593 B13R1.77 N#CCNc1ccc(cc1)OCF ccfcdab464623ad232b7050d93d4326a [0,2,0,0,0,0|1,0,1]=4 2594 B13R1.77 N#CCOc1ccc(cc1)CC#N a4653e539260be8f9c94840439de3cb6 [0,2,0,0,0,0|1,0,1]=4 2595 B13R1.77 N#CCOc1ccc(cc1)CC=O 5cabed29201a77521c64d7986efebbf7 [0,2,0,0,0,0|1,0,1]=4 2596 B13R1.77 N#CCOc1ccc(cc1)CCF 23373426b076b3e97dcb5fb969a129f7 [0,2,0,0,0,0|1,0,0]=3 2597 B13R1.77 N#CCOc1ccc(cc1)OCF 563eff87c1154c6959c1694bf7e36530 [0,2,0,0,0,0|1,0,1]=4 2598 B13R1.77 N#CCc1ccc(cc1)COCF 8263f1c1b13b16e0ffd5928742159fd0 [0,2,0,0,0,0|1,0,1]=4 2599 B13R1.77 N#CCc1ccc(cc1)OCC=O c5cc8e11ced1e2addff11b7b5b6c2bdc [0,2,0,0,0,0|1,0,1]=4 2600 B13R1.77 N#CCc1ccc(cc1)OCCF 087327e4cc9159cf98123515a1b344db [0,2,0,0,0,0|1,0,1]=4 2601 B13R1.77 N#CCc1ccc(cc1)OCCS b889b4ed645123a3ba2e0d662a11d9d0 [0,2,0,0,0,0|1,0,1]=4 2602 B13R1.77 NOCc1ccc(cc1)NCCBr b00cc5f9833a4de38dd45f6ff3ada738 [0,2,0,0,0,0|2,0,0]=4 2603 B13R1.77 NOCc1ccc(cc1)NCCF 946617e49d6c18fe22f268b3779e2c9c [0,2,0,0,0,0|2,0,0]=4 2604 B13R1.77 NOCc1ccc(cc1)NCCI 0456e15edefddac73ec33a8a4263cc8c [0,2,0,0,0,0|2,0,0]=4 2605 B13R1.77 NOCc1ccc(cc1)NCCO c397f467e5556d377b30d629e6acbe5a [0,2,0,0,0,0|2,0,0]=4 2606 B13R1.77 NOCc1ccc(cc1)NCCS dcc85d022a9ef67c3a073fa593ee0abe [0,2,0,0,0,0|2,0,0]=4 2607 B13R1.77 O=CCCc1ccc(cc1)OCF 008470cc78d677be29b7766749413f65 [0,2,0,0,0,0|0,0,1]=3 2608 B13R1.77 O=CCNc1ccc(cc1)CCBr 1054f27e5805002414f582f94439fdce [0,2,0,0,0,0|2,0,0]=4 2609 B13R1.77 O=CCNc1ccc(cc1)CCO 757f9d4bb110566b63eb1020efe3abf5 [0,2,0,0,0,0|2,0,0]=4 2610 B13R1.77 O=CCNc1ccc(cc1)OCF 954a5bee98f720d6bc5935ac4e9e14ba [0,2,0,0,0,0|1,0,1]=4 2611 B13R1.77 O=CCOc1ccc(cc1)CC=O 6bf0fc8188c488a7d490f2b6dac1b7b2 [0,2,0,0,0,0|1,0,1]=4 2612 B13R1.77 O=CCOc1ccc(cc1)CCF 9536aa5340c98e9e71478e20b283a0df [0,2,0,0,0,0|1,0,0]=3 2613 B13R1.77 O=CCc1ccc(cc1)OCCF 8d102af81bb84b3d624cb3f68b8bf0ac [0,2,0,0,0,0|1,0,1]=4 2614 B13R1.77 O=CCc1ccc(cc1)OCCS 75a5137457336836215e1fb204a6cb23 [0,2,0,0,0,0|1,0,1]=4 2615 B13R1.77 O=CNc1ccc(cc1)CCCO 512f8be67d8157c92b17a0fef30a7a8f [0,2,0,0,0,0|1,0,1]=4 2616 B13R1.77 OCCCc1ccc(cc1)NCF 1c769a2c54a6abf8cfb4a9f722492563 [0,2,0,0,0,0|1,0,0]=3 2617 B13R1.77 OCCCc1ccc(cc1)NCO 794806c07d6575cecc440429857bf326 [0,2,0,0,0,0|1,0,0]=3 2618 B13R1.77 OCCNc1ccc(cc1)CCBr ae89048f731d8d9a6a135846097d757f [0,2,0,0,0,0|2,0,0]=4 2619 B13R1.77 OCCNc1ccc(cc1)CCO 35811af02f7908348a79348dd8292d78 [0,2,0,0,0,0|2,0,0]=4 2620 B13R1.77 OCCNc1ccc(cc1)OCF 96d356127005bb984bebb3ab4a212490 [0,2,0,0,0,0|1,0,0]=3 2621 B13R1.77 OCCOc1ccc(cc1)NCF 1967f018f531bb952b29ed41163008ef [0,2,0,0,0,0|2,0,0]=4 2622 B13R1.77 OCCOc1ccc(cc1)NCO a6655d1c81784d73c33a21b6d26c8aae [0,2,0,0,0,0|2,0,0]=4 2623 B13R1.77 OCCc1ccc(cc1)CNCF e95f17ec877c9f254ac91fe371c6cc5b [0,2,0,0,0,0|2,0,0]=4 2624 B13R1.77 OCCc1ccc(cc1)CNCO c9c2c3c1c92f4741f2e928152c2de332 [0,2,0,0,0,0|2,0,0]=4 2625 B13R1.77 OCCc1ccc(cc1)NCCBr 8e044f9d4a3bc9605f3d488cabbdc05a [0,2,0,0,0,0|2,0,0]=4 2626 B13R1.77 OCCc1ccc(cc1)NCCF 9d1e35bdfc922a7190a04b353bf82795 [0,2,0,0,0,0|2,0,0]=4 2627 B13R1.77 OCCc1ccc(cc1)NCCI 6e7d54c2e654834cbd66d6813c83d078 [0,2,0,0,0,0|2,0,0]=4 2628 B13R1.77 OCCc1ccc(cc1)NCCS 583ff8429f48f625ab9db510115575b4 [0,2,0,0,0,0|2,0,0]=4 2629 B13R1.77 OCNc1ccc(cc1)OCCCl 385d03e8f6cd3baaf08e0bffd4a82221 [0,2,0,0,0,0|2,0,0]=4 2630 B13R1.77 OCNc1ccc(cc1)OCCF 40261a66c8123f3802364f7e8bfc1fa1 [0,2,0,0,0,0|2,0,0]=4 2631 B13R1.77 SCCNc1ccc(cc1)CCBr 496a5a0940f1e7857edbb9d847270d78 [0,2,0,0,0,0|2,0,0]=4 2632 B13R1.371 C#CCCNc1ccc(cc1)CC 4011088d2be8b870cd96c16bbd06ed9a [0,2,0,0,0,0|1,0,1]=4 2633 B13R1.371 C#CCCNc1ccc(cc1)OC dfc9fd2b622c5229423e8e3c9e21b7b5 [0,2,0,0,0,0|0,0,1]=3 2634 B13R1.371 C#CCCNc1ccc(cc1)SC d03cf9b7385a1685ef1e9097cdab25d9 [0,2,0,0,0,0|0,1,1]=4 2635 B13R1.371 C#CCCNc1ccc(cn1)OC b504246c09d097a27f8c6a0319a8b04f [0,2,0,0,0,0|1,0,1]=4 2636 B13R1.371 C#CCCNc1ccc(nc1)OC 9bf421c1669d6f154253adb1a2f81e73 [0,2,0,0,0,0|1,0,1]=4 2637 B13R1.371 C#CCCOc1ccc(cc1)CC 8fd8693b5e38e42602f09554db4cd8b4 [0,2,0,0,0,0|1,0,1]=4 2638 B13R1.371 C#CCCOc1ccc(cc1)OC 5c431cb6153299ecc4f82e1f7ba27468 [0,2,0,0,0,0|0,0,1]=3 2639 B13R1.371 C#CCCOc1ccc(cc1)SC a0e9fb27026734058317489f1d10252e [0,2,0,0,0,0|0,1,1]=4 2640 B13R1.371 C#CCCOc1ccc(cn1)OC b6331d7ce48a7aa780957e97c4fc75f0 [0,2,0,0,0,0|1,0,1]=4 2641 B13R1.371 C#CCCOc1ccc(nc1)OC d31d31c687add14f1259476ab3db728c [0,2,0,0,0,0|1,0,1]=4 2642 B13R1.371 C#CCNCc1ccc(cc1)CC 3bf0f661cd1878ff2aaba0f9e9601ab2 [0,2,0,0,0,0|1,0,1]=4 2643 B13R1.371 C#CCNCc1ccc(cc1)OC 02d1017554f245447ffb3245e03d05ce [0,2,0,0,0,0|0,0,1]=3 2644 B13R1.371 C#CCNCc1ccc(cc1)SC 934dec120548d6e03cab56c0dc0e3eaf [0,2,0,0,0,0|0,1,1]=4 2645 B13R1.371 C#CCNCc1ccc(cn1)OC f5bdda93201d42e58a1b0aded0d6027f [0,2,0,0,0,0|1,0,1]=4 2646 B13R1.371 C#CCNCc1ccc(nc1)OC a65d47e0d1c018fcb7909f83f55bcdc5 [0,2,0,0,0,0|1,0,1]=4 2647 B13R1.371 C#CCOCc1ccc(cc1)CC acb73901375aec4f2fd7ef2437b9edb6 [0,2,0,0,0,0|1,0,1]=4 2648 B13R1.371 C#CCOCc1ccc(cc1)OC df45eed2ceadb022951466ac39a56d9e [0,2,0,0,0,0|0,0,1]=3 2649 B13R1.371 C#CCOCc1ccc(cc1)SC 8ce12c007c06d10f564e06c90f4679d2 [0,2,0,0,0,0|0,1,1]=4 2650 B13R1.371 C#CCOCc1ccc(cn1)OC 54894ee25385e19424524926993c8a93 [0,2,0,0,0,0|1,0,1]=4 2651 B13R1.371 C#CCOCc1ccc(nc1)OC 851cffb3a1e740e51cc41a43b917aff8 [0,2,0,0,0,0|1,0,1]=4 2652 B13R1.371 C#Cc1ccc(cc1)CNCCBr b695c0f733adcf7edcbfe9d5b97142a6 [0,2,0,0,0,0|1,0,1]=4 2653 B13R1.371 C#Cc1ccc(cc1)CNCCC ded72a93e3690d356ddca24ba0c1e2e2 [0,2,0,0,0,0|1,0,1]=4 2654 B13R1.371 C#Cc1ccc(cc1)CNCCF ace314c6fe4a69fff44348bb6d3802a6 [0,2,0,0,0,0|1,0,1]=4 2655 B13R1.371 C#Cc1ccc(cc1)CNCCI 292a2cd66e5f697895a162bb9a9cc8d6 [0,2,0,0,0,0|1,0,1]=4 2656 B13R1.371 C#Cc1ccc(cc1)CNCCO 3e7a549120c905c88eafe5bd3550220d [0,2,0,0,0,0|1,0,1]=4 2657 B13R1.371 C#Cc1ccc(cc1)CNCCS 053061cffaf5c35f14767ee261fcb92b [0,2,0,0,0,0|1,0,1]=4 2658 B13R1.371 C#Cc1ccc(cc1)CNCOC b19c7c5199ec3434498ea102b11d0775 [0,2,0,0,0,0|1,0,1]=4 2659 B13R1.371 C#Cc1ccc(cc1)CNCSC 83b16ed45349ef5a4f76b18edf0f05f5 [0,2,0,0,0,0|1,0,1]=4 2660 B13R1.371 C#Cc1ccc(cc1)COCCC 77760a109054b2ee26ff03cfbd977785 [0,2,0,0,0,0|1,0,1]=4 2661 B13R1.371 C#Cc1ccc(cc1)COCCF 43f0532fecb74b8cef8df36f8085f2f9 [0,2,0,0,0,0|1,0,1]=4 2662 B13R1.371 C#Cc1ccc(cc1)COCCS 4368c3dab553b2e4b506e686cfbedeaf [0,2,0,0,0,0|1,0,1]=4 2663 B13R1.371 C#Cc1ccc(cc1)COCOC aa2b274fcfb286dd755810a090f44e0d [0,2,0,0,0,0|1,0,1]=4 2664 B13R1.371 C#Cc1ccc(cc1)COCSC 88d4cfdd86aae78006932161bcdb96c7 [0,2,0,0,0,0|1,0,1]=4 2665 B13R1.371 C#Cc1ccc(cc1)NCCCC d50012988f48a5f72ef9f27c15061822 [0,2,0,0,0,0|1,0,1]=4 2666 B13R1.371 C#Cc1ccc(cc1)NCCCF 28e15250fafd28b53a4748893d6f1dc7 [0,2,0,0,0,0|1,0,1]=4 2667 B13R1.371 C#Cc1ccc(cc1)NCCCO 889c11c0c52c756dc6619780a503e290 [0,2,0,0,0,0|1,0,1]=4 2668 B13R1.371 C#Cc1ccc(cc1)NCCCS f69fbd8993b10dc2e8b80959ecf71a0e [0,2,0,0,0,0|1,0,1]=4 2669 B13R1.371 C#Cc1ccc(cc1)NCCOC 5fb757588dc53f258ed43b834bc2cb30 [0,2,0,0,0,0|1,0,1]=4 2670 B13R1.371 C#Cc1ccc(cc1)NCCSC d0b005d6f5e0ec4f9730858141c9a247 [0,2,0,0,0,0|1,0,1]=4 2671 B13R1.371 C#Cc1ccc(cc1)OCCCC 881ae4359c2190728e27fd1ff61f4ff2 [0,2,0,0,0,0|1,0,1]=4 2672 B13R1.371 C#Cc1ccc(cc1)OCCCF d8840e32ae45521113af5885fb60fc9c [0,2,0,0,0,0|1,0,1]=4 2673 B13R1.371 C#Cc1ccc(cc1)OCCCS 316c1dbe5beca4d9a908bbd9d14b39d6 [0,2,0,0,0,0|1,0,1]=4 2674 B13R1.371 C#Cc1ccc(cc1)OCCOC 57cf7b8a6f8ffcccb20a6fe4f684e61e [0,2,0,0,0,0|1,0,1]=4 2675 B13R1.371 C#Cc1ccc(cc1)OCCSC 81deab46ec0c49dfa8765298668d5985 [0,2,0,0,0,0|1,0,1]=4 2676 B13R1.371 C/C=C/CNc1ccc(cc1)CC 55f3087713ee30a330d4cb5231cbb245 [0,2,0,0,0,0|1,0,1]=4 2677 B13R1.371 C/C=C/CNc1ccc(cc1)OC 57467d5ed05ffe1f2000a8cd9eface55 [0,2,0,0,0,0|0,0,1]=3 2678 B13R1.371 C/C=C/CNc1ccc(cc1)SC c6d65d2417578b2cd8cb29ec0a92d422 [0,2,0,0,0,0|0,1,1]=4 2679 B13R1.371 C/C=C/CNc1ccc(cn1)OC 7361429fb801dff62ac496655a47c9f3 [0,2,0,0,0,0|1,0,1]=4 2680 B13R1.371 C/C=C/CNc1ccc(nc1)OC 5139d79a7d9e36573f69e55c17e9bb6c [0,2,0,0,0,0|1,0,1]=4 2681 B13R1.371 C/C=C/COc1ccc(cc1)CC 798f718f017f089ac24bfdbfe2e8d48c [0,2,0,0,0,0|1,0,1]=4 2682 B13R1.371 C/C=C/COc1ccc(cc1)OC 3cb73a84caeb8c146e58c4fc6249eb9a [0,2,0,0,0,0|0,0,1]=3 2683 B13R1.371 C/C=C/COc1ccc(cc1)SC a893ea71a09f2948e4ea1739357776f5 [0,2,0,0,0,0|0,1,1]=4 2684 B13R1.371 C/C=C/COc1ccc(cn1)OC 4c77ef7dfaee5539f573e3bf0c1a16e3 [0,2,0,0,0,0|1,0,1]=4 2685 B13R1.371 C/C=C/COc1ccc(nc1)OC 3105fb2980e6f1d24c6a122640ab2c02 [0,2,0,0,0,0|1,0,1]=4 2686 B13R1.371 C/C=C\CNc1ccc(cc1)CC d1e9d98098b6dea93116118602cec74a [0,2,0,0,0,0|1,0,1]=4 2687 B13R1.371 C/C=C\CNc1ccc(cc1)OC 16d207d7c4cfc696b1e57d8b0cfb9dab [0,2,0,0,0,0|0,0,1]=3 2688 B13R1.371 C/C=C\CNc1ccc(cc1)SC c6f6614fdcadb652af1aacfc17462da9 [0,2,0,0,0,0|0,1,1]=4 2689 B13R1.371 C/C=C\CNc1ccc(cn1)OC 70382bad185f9734da4a2def6fbc271b [0,2,0,0,0,0|1,0,1]=4 2690 B13R1.371 C/C=C\CNc1ccc(nc1)OC 92ac1754271a80a1c83310222c105dba [0,2,0,0,0,0|1,0,1]=4 2691 B13R1.371 C/C=C\COc1ccc(cc1)CC 4c435d6762983a867a77ac735da25989 [0,2,0,0,0,0|1,0,1]=4 2692 B13R1.371 C/C=C\COc1ccc(cc1)OC f6e6fdd6e19bba806efb2abbd5527b87 [0,2,0,0,0,0|0,0,1]=3 2693 B13R1.371 C/C=C\COc1ccc(cc1)SC dd52878224386487589c7e345ca1950e [0,2,0,0,0,0|0,1,1]=4 2694 B13R1.371 C/C=C\COc1ccc(cn1)OC ef644e7617b3c80a955612274e71e1e2 [0,2,0,0,0,0|1,0,1]=4 2695 B13R1.371 C/C=C\COc1ccc(nc1)OC 952f3bae910dab8b4a4310056fad9192 [0,2,0,0,0,0|1,0,1]=4 2696 B13R1.371 C=CCCNc1ccc(cc1)CC aa83cf5a975c00477e7eaac8c59c4324 [0,2,0,0,0,0|1,0,1]=4 2697 B13R1.371 C=CCCNc1ccc(cc1)OC 286c0f11920a74ffbff9aef6772b567a [0,2,0,0,0,0|0,0,1]=3 2698 B13R1.371 C=CCCNc1ccc(cc1)SC 6cf2069a199d886c74b48f4810388a26 [0,2,0,0,0,0|0,1,1]=4 2699 B13R1.371 C=CCCNc1ccc(cn1)OC 61f13eabe8a4767eb8233fd7ebb491b6 [0,2,0,0,0,0|1,0,1]=4 2700 B13R1.371 C=CCCNc1ccc(nc1)OC db74d4bbff8ca1f3fa67c3a3b2579417 [0,2,0,0,0,0|1,0,1]=4 2701 B13R1.371 C=CCCOc1ccc(cc1)CC efe2c781f703fbf70b0146228993298e [0,2,0,0,0,0|1,0,1]=4 2702 B13R1.371 C=CCCOc1ccc(cc1)OC ecbbc4943e95e819e16004288661d67e [0,2,0,0,0,0|0,0,1]=3 2703 B13R1.371 C=CCCOc1ccc(cc1)SC 7b4dd72908afd556a709088b01451242 [0,2,0,0,0,0|0,1,1]=4 2704 B13R1.371 C=CCCOc1ccc(cn1)OC 83284a2a534af3d5ac45653baa30fa47 [0,2,0,0,0,0|1,0,1]=4 2705 B13R1.371 C=CCCOc1ccc(nc1)OC a224a2ec82ea9674ef4ad7c3f0b35701 [0,2,0,0,0,0|1,0,1]=4 2706 B13R1.371 C=CCNCc1ccc(cc1)CC c230b4c55d7f701167ff892f7b17a54a [0,2,0,0,0,0|1,0,1]=4 2707 B13R1.371 C=CCNCc1ccc(cc1)OC d06880f103eb89b989aa594b311c5c06 [0,2,0,0,0,0|0,0,1]=3 2708 B13R1.371 C=CCNCc1ccc(cc1)SC 18bb70bf1dfd704514688965d85b0a2f [0,2,0,0,0,0|0,1,1]=4 2709 B13R1.371 C=CCNCc1ccc(cn1)OC 15cb14f2feea88538e6f809a38cec0a6 [0,2,0,0,0,0|1,0,1]=4 2710 B13R1.371 C=CCNCc1ccc(nc1)OC bb23550e95dd64e2d2432475b685b578 [0,2,0,0,0,0|1,0,1]=4 2711 B13R1.371 C=CCOCc1ccc(cc1)CC 3d024585504aefc4d1571a43ac50835b [0,2,0,0,0,0|1,0,1]=4 2712 B13R1.371 C=CCOCc1ccc(cc1)OC 661fac4e7f944ff85e6a8a04cf06c4fb [0,2,0,0,0,0|0,0,1]=3 2713 B13R1.371 C=CCOCc1ccc(cc1)SC babc9f38347d9b6820c83e14e82dd5a9 [0,2,0,0,0,0|0,1,1]=4 2714 B13R1.371 C=CCOCc1ccc(cn1)OC 93ace433312807766aa3ebfc9552d8ed [0,2,0,0,0,0|1,0,1]=4 2715 B13R1.371 C=CCOCc1ccc(nc1)OC ade9e5123c09a6c445dae7f10fa8cb01 [0,2,0,0,0,0|1,0,1]=4 2716 B13R1.371 C=Cc1ccc(cc1)CCOCC a76bf6510b21922d5f4664e72feae61f [0,2,0,0,0,0|1,0,1]=4 2717 B13R1.371 C=Cc1ccc(cc1)CCOCF 3c0c87140afa6dcb0c45312f6ffd1b29 [0,2,0,0,0,0|1,0,1]=4 2718 B13R1.371 C=Cc1ccc(cc1)CNCCBr acff4ab6b0b8815dc0a4ccadd05a4f5a [0,2,0,0,0,0|1,0,1]=4 2719 B13R1.371 C=Cc1ccc(cc1)CNCCC 6a86c585be5961b248fe9fc93567dd0f [0,2,0,0,0,0|1,0,1]=4 2720 B13R1.371 C=Cc1ccc(cc1)CNCCF a62d3dea9e755d3a13dfe6bf53e79f93 [0,2,0,0,0,0|1,0,1]=4 2721 B13R1.371 C=Cc1ccc(cc1)CNCCI 92acd4a6c826d4cbc7ec3760ce6680f5 [0,2,0,0,0,0|1,0,1]=4 2722 B13R1.371 C=Cc1ccc(cc1)CNCCO 64c1b93771015bb514206661b6a4a7c9 [0,2,0,0,0,0|1,0,1]=4 2723 B13R1.371 C=Cc1ccc(cc1)CNCCS 9bb20f47950fa470027b4a581e24d68c [0,2,0,0,0,0|1,0,1]=4 2724 B13R1.371 C=Cc1ccc(cc1)CNCOC f32394b02990cb781a84e6c5a5a65987 [0,2,0,0,0,0|1,0,1]=4 2725 B13R1.371 C=Cc1ccc(cc1)CNCSC dbe182f3a982152f7e770d36212ec817 [0,2,0,0,0,0|1,0,1]=4 2726 B13R1.371 C=Cc1ccc(cc1)COCCC 5c0f6feeb96bd32e50cb6672d0dcf179 [0,2,0,0,0,0|1,0,1]=4 2727 B13R1.371 C=Cc1ccc(cc1)COCCF 7f5784cab0a7560df1583818a984a96b [0,2,0,0,0,0|1,0,1]=4 2728 B13R1.371 C=Cc1ccc(cc1)COCCS df477b8404e47b2041b3c2f7de4e4b86 [0,2,0,0,0,0|1,0,1]=4 2729 B13R1.371 C=Cc1ccc(cc1)COCOC 5eb3af343b9c983e52ac75cdf5468977 [0,2,0,0,0,0|1,0,1]=4 2730 B13R1.371 C=Cc1ccc(cc1)COCSC d2dd905f42fda67a396b2c74e1668c6a [0,2,0,0,0,0|1,0,1]=4 2731 B13R1.371 C=Cc1ccc(cc1)NCCCC f98ab0061afe3c1e06d94b5d29817cb2 [0,2,0,0,0,0|1,0,1]=4 2732 B13R1.371 C=Cc1ccc(cc1)NCCCCl 57e123eeb211fed9db7ab813ab58b049 [0,2,0,0,0,0|1,0,1]=4 2733 B13R1.371 C=Cc1ccc(cc1)NCCCF be71ad2b035466986b623474ec23488d [0,2,0,0,0,0|1,0,1]=4 2734 B13R1.371 C=Cc1ccc(cc1)NCCCO fa2a73cfec87de2c2fa8ad933cad5f2b [0,2,0,0,0,0|1,0,1]=4 2735 B13R1.371 C=Cc1ccc(cc1)NCCCS 85bbbbdf23034e0a2653f35f72c74730 [0,2,0,0,0,0|1,0,1]=4 2736 B13R1.371 C=Cc1ccc(cc1)NCCOC 5d4265eed80cbac46a85f92ce3fbd6e0 [0,2,0,0,0,0|1,0,1]=4 2737 B13R1.371 C=Cc1ccc(cc1)NCCSC 28bde6685e762a0c3f83484907e05619 [0,2,0,0,0,0|1,0,1]=4 2738 B13R1.371 C=Cc1ccc(cc1)NCOCC cf158398c36afedeff0b8fd01a383307 [0,2,0,0,0,0|1,0,1]=4 2739 B13R1.371 C=Cc1ccc(cc1)OCCCC 7096c01446aacc636656243c4badcaba [0,2,0,0,0,0|1,0,1]=4 2740 B13R1.371 C=Cc1ccc(cc1)OCCCF 563d89742689cdeb2dc91b26f0631f04 [0,2,0,0,0,0|1,0,1]=4 2741 B13R1.371 C=Cc1ccc(cc1)OCCCS 64ba84fa90a643d6ceb59fafa0e4a982 [0,2,0,0,0,0|1,0,1]=4 2742 B13R1.371 C=Cc1ccc(cc1)OCCOC 9ce1ef7afe8ec1622f759e187e7555db [0,2,0,0,0,0|1,0,1]=4 2743 B13R1.371 C=Cc1ccc(cc1)OCCSC 938f2142210ad3d6ba6f9f298c82ce7c [0,2,0,0,0,0|1,0,1]=4 2744 B13R1.371 C=Cc1ccc(cc1)OCOCC 73ec4cd51df546cdfea661c3ba47e577 [0,2,0,0,0,0|1,0,1]=4 2745 B13R1.371 CC=CCNc1ccc(cc1)CC f1ee4b7eb0e6abc23324dfa665fadb58 [0,2,0,0,0,0|1,0,1]=4 2746 B13R1.371 CC=CCNc1ccc(cc1)OC 8d019e487db297b57f5ecd56fae26509 [0,2,0,0,0,0|0,0,1]=3 2747 B13R1.371 CC=CCNc1ccc(cc1)SC 6f125224b0cef0583ae8e9b0f8700e73 [0,2,0,0,0,0|0,1,1]=4 2748 B13R1.371 CC=CCNc1ccc(cn1)OC d7366cadf3e3115ee3b07917801c003e [0,2,0,0,0,0|1,0,1]=4 2749 B13R1.371 CC=CCNc1ccc(nc1)OC 603ddc6debe326a3a37ee12b68c63b85 [0,2,0,0,0,0|1,0,1]=4 2750 B13R1.371 CCCCNc1ccc(cc1)C#N 0db673c330d27cbd7e93dd02b35afba8 [0,2,0,0,0,0|2,0,0]=4 2751 B13R1.371 CCCCNc1ccc(cc1)C=O aaa7188e90485cd193203bb10520a918 [0,2,0,0,0,0|2,0,0]=4 2752 B13R1.371 CCCCNc1ccc(cc1)CC b5fab88c0bee331c02886b94554095c2 [0,2,0,0,0,0|1,0,0]=3 2753 B13R1.371 CCCCNc1ccc(cc1)CF 23a6bdeac87e57f02c16a753a6fdf4d1 [0,2,0,0,0,0|2,0,0]=4 2754 B13R1.371 CCCCNc1ccc(cc1)CO 64d4ab8b121b5777000987e2c981b7bb [0,2,0,0,0,0|2,0,0]=4 2755 B13R1.371 CCCCNc1ccc(cc1)CS 3c1e67de5dbacc348ba601beb7f0f678 [0,2,0,0,0,0|2,0,0]=4 2756 B13R1.371 CCCCNc1ccc(cc1)NO f437851d98e6ee385b8075969d899bd0 [0,2,0,0,0,0|2,0,0]=4 2757 B13R1.371 CCCCNc1ccc(cc1)OC 4c9e081eedabd83ca3bc230f5fa36b9a [0,2,0,0,0,0|0,0,0]=2 2758 B13R1.371 CCCCNc1ccc(cc1)SC fbb3323d26fe77cc55f0788a96e2868b [0,2,0,0,0,0|0,1,0]=3 2759 B13R1.371 CCCCNc1ccc(cn1)CC 7e6ef949e9d74a56946e60f62230309b [0,2,0,0,0,0|2,0,0]=4 2760 B13R1.371 CCCCNc1ccc(cn1)OC e24d8a9f92bcbc9399802b7bc9600797 [0,2,0,0,0,0|1,0,0]=3 2761 B13R1.371 CCCCNc1ccc(cn1)SC 994f99a9eca27a14a0981010be9fe669 [0,2,0,0,0,0|1,1,0]=4 2762 B13R1.371 CCCCNc1ccc(nc1)CC 6cc937eef38ec9bdb69672765f47dfe6 [0,2,0,0,0,0|2,0,0]=4 2763 B13R1.371 CCCCNc1ccc(nc1)OC fc0314976877b5ab14386e3c584a1366 [0,2,0,0,0,0|1,0,0]=3 2764 B13R1.371 CCCCNc1ccc(nc1)SC c013492fc1779d4ae750c40a31f8f220 [0,2,0,0,0,0|1,1,0]=4 2765 B13R1.371 CCCCNc1ccc(nn1)OC 297c6979545b1a350cf877e98143e136 [0,2,0,0,0,0|2,0,0]=4 2766 B13R1.371 CCCCNc1cnc(cn1)OC e1479da6807a7fa14cb2ff0fa533fb65 [0,2,0,0,0,0|2,0,0]=4 2767 B13R1.371 CCCCNc1cnc(nc1)OC 4aa392e4a1151b1464faf25870f89f93 [0,2,0,0,0,0|2,0,0]=4 2768 B13R1.371 CCCCNc1ncc(cn1)OC 01a1bce1743b4159ac24bcce491a35b5 [0,2,0,0,0,0|2,0,0]=4 2769 B13R1.371 CCCCOc1ccc(cc1)C#N 6b7c9bbade4256018b069106a22a8e32 [0,2,0,0,0,0|2,0,0]=4 2770 B13R1.371 CCCCOc1ccc(cc1)C=O 22d5303bcf6ff78a696008d4b1bb0459 [0,2,0,0,0,0|2,0,0]=4 2771 B13R1.371 CCCCOc1ccc(cc1)CC ab59b73c46cf2c5eeeceb4e3c01c96e3 [0,2,0,0,0,0|1,0,0]=3 2772 B13R1.371 CCCCOc1ccc(cc1)N=O 32ed9bc06139f59105273813ff47aefe [0,2,0,0,0,0|2,0,0]=4 2773 B13R1.371 CCCCOc1ccc(cc1)OC 52400da5c0e7bccc480c16cdbb9df2b2 [0,2,0,0,0,0|0,0,0]=2 2774 B13R1.371 CCCCOc1ccc(cc1)SC 7a923f0313520610a9308cdd51c0727a [0,2,0,0,0,0|0,1,0]=3 2775 B13R1.371 CCCCOc1ccc(cn1)CC d0fb1f51f2528da640899782208346fb [0,2,0,0,0,0|2,0,0]=4 2776 B13R1.371 CCCCOc1ccc(cn1)OC c9d87a4156858dd5d98e3d897b7aa747 [0,2,0,0,0,0|1,0,0]=3 2777 B13R1.371 CCCCOc1ccc(nc1)OC 9e01443325b95d1a0e3d6dd695a9e838 [0,2,0,0,0,0|1,0,0]=3 2778 B13R1.371 CCCCOc1ccc(nc1)SC 52bbbe81d34300467b51b80c2c8d33c3 [0,2,0,0,0,0|1,1,0]=4 2779 B13R1.371 CCCCOc1cnc(nc1)OC e2b8507da3f3d7256fb0f7183a716875 [0,2,0,0,0,0|2,0,0]=4 2780 B13R1.371 CCCNCc1ccc(cc1)C#N 73e1e3ef371b92531e2233709e1d6e42 [0,2,0,0,0,0|2,0,0]=4 2781 B13R1.371 CCCNCc1ccc(cc1)C=O 25d1984269b6d63d3de874a36afc62ba [0,2,0,0,0,0|2,0,0]=4 2782 B13R1.371 CCCNCc1ccc(cc1)CBr 6c75f8b5ad907791c0176a726f27cd54 [0,2,0,0,0,0|2,0,0]=4 2783 B13R1.371 CCCNCc1ccc(cc1)CC f817fd76814ddc4ff393d02a336efb1a [0,2,0,0,0,0|1,0,0]=3 2784 B13R1.371 CCCNCc1ccc(cc1)CO 94562ebd1374a52cee56b865c85892f9 [0,2,0,0,0,0|2,0,0]=4 2785 B13R1.371 CCCNCc1ccc(cc1)OC 8f3d294b1bdf463b123dba3a4ef2703a [0,2,0,0,0,0|0,0,0]=2 2786 B13R1.371 CCCNCc1ccc(cc1)SC 783a6d5a813944c5c4e01d302dd3f76b [0,2,0,0,0,0|0,1,0]=3 2787 B13R1.371 CCCNCc1ccc(cn1)OC 9274e3056d9da675873fd52ce57f23cb [0,2,0,0,0,0|1,0,0]=3 2788 B13R1.371 CCCNCc1ccc(nc1)OC f097f2d16f13c6958fba31b8953d1e70 [0,2,0,0,0,0|1,0,0]=3 2789 B13R1.371 CCCNCc1ccc(nn1)OC a2052df2a0cbff505b2879fd9b45b81b [0,2,0,0,0,0|2,0,0]=4 2790 B13R1.371 CCCNCc1cnc(cn1)OC 284fa66137fa2d41c3d994165fb0d788 [0,2,0,0,0,0|2,0,0]=4 2791 B13R1.371 CCCNCc1cnc(nc1)OC 2aa0a6bf4bac4b80b4c45bc7735edff5 [0,2,0,0,0,0|2,0,0]=4 2792 B13R1.371 CCCNCc1ncc(cn1)OC ee7f8a0e8158c7e56f5ae8a1b9df62af [0,2,0,0,0,0|2,0,0]=4 2793 B13R1.371 CCCOCc1ccc(cc1)C#N d84cb44f5a0594e81985632ad73b4e67 [0,2,0,0,0,0|2,0,0]=4 2794 B13R1.371 CCCOCc1ccc(cc1)C=O 1ddd83e6f131c4321de92c0554aad1bd [0,2,0,0,0,0|2,0,0]=4 2795 B13R1.371 CCCOCc1ccc(cc1)CC 35e951057d7f611a6b7014c8dcd39250 [0,2,0,0,0,0|1,0,0]=3 2796 B13R1.371 CCCOCc1ccc(cc1)OC 606a55e8f1c25ebc8acf7a643c0903b2 [0,2,0,0,0,0|0,0,0]=2 2797 B13R1.371 CCCOCc1ccc(cc1)SC 977aaefeb76807ff34c4ea7f810cfce0 [0,2,0,0,0,0|0,1,0]=3 2798 B13R1.371 CCCOCc1ccc(cn1)CC a424dd87e7838b92f9d2f9d942e37717 [0,2,0,0,0,0|2,0,0]=4 2799 B13R1.371 CCCOCc1ccc(cn1)OC 7d634001f10c62078130d07949d8cbab [0,2,0,0,0,0|1,0,0]=3 2800 B13R1.371 CCCOCc1ccc(nc1)OC d8555097a3850c8657dd93d772b781fb [0,2,0,0,0,0|1,0,0]=3 2801 B13R1.371 CCCOCc1ccc(nc1)SC 52603d640bec227166902a8f88ab952e [0,2,0,0,0,0|1,1,0]=4 2802 B13R1.371 CCCOCc1ccc(nn1)OC 8e5ba3f066efdae47dc8828a11a76d71 [0,2,0,0,0,0|2,0,0]=4 2803 B13R1.371 CCCOCc1cnc(cn1)OC 196f9a132fd2efb65e3caede0d8db353 [0,2,0,0,0,0|2,0,0]=4 2804 B13R1.371 CCCOCc1cnc(nc1)OC e9980fbc3e6f1437310e8d79178d21b6 [0,2,0,0,0,0|2,0,0]=4 2805 B13R1.371 CCCOCc1ncc(cn1)OC b2fd84fefefcec4169329d89b308c997 [0,2,0,0,0,0|2,0,0]=4 2806 B13R1.371 CCNCCc1ccc(cc1)C#N 08cf51bab55284f07c0ba82a029b2b6d [0,2,0,0,0,0|2,0,0]=4 2807 B13R1.371 CCNCCc1ccc(cc1)CC 7e874791e233273d413be7285a8d2edf [0,2,0,0,0,0|1,0,0]=3 2808 B13R1.371 CCNCCc1ccc(cc1)CO 106f0e7ade95f23cfa0b7c21f920c6ca [0,2,0,0,0,0|2,0,0]=4 2809 B13R1.371 CCNCCc1ccc(cc1)OC 7695aaace8339270489524332b2c5bd7 [0,2,0,0,0,0|0,0,0]=2 2810 B13R1.371 CCNCCc1ccc(nc1)OC 70549bd0e10c58e33eef2088ddaceaec [0,2,0,0,0,0|1,0,0]=3 2811 B13R1.371 CCOCCc1ccc(cc1)C#N e511651edfcbcdbc55d70546c892afe4 [0,2,0,0,0,0|2,0,0]=4 2812 B13R1.371 CCOCCc1ccc(cc1)C=O d52a3858e2c994c30247ed242c17ba7b [0,2,0,0,0,0|2,0,0]=4 2813 B13R1.371 CCOCCc1ccc(cc1)OC 8a11d2af9f0deaf1e16b62be209b1bc6 [0,2,0,0,0,0|0,0,0]=2 2814 B13R1.371 CCOCCc1ccc(cn1)CC c4d0c9ed4e601356df67c20732c42bc8 [0,2,0,0,0,0|2,0,0]=4 2815 B13R1.371 CCOCNc1ccc(cc1)C#N 3bb9b4056b60e4eefbc12195f2c299cd [0,2,0,0,0,0|2,0,0]=4 2816 B13R1.371 CCOCNc1ccc(cc1)C=O c5b282f4dd1a591d0c9adb603057414a [0,2,0,0,0,0|2,0,0]=4 2817 B13R1.371 CCOCNc1ccc(cc1)CC 6836de4d37aa5bbd9af38aa5151655b4 [0,2,0,0,0,0|1,0,0]=3 2818 B13R1.371 CCOCNc1ccc(cc1)CO 73a4d8f4672e0699c7f32e8b1dcebd4d [0,2,0,0,0,0|2,0,0]=4 2819 B13R1.371 CCOCNc1ccc(cc1)OC 0c80b59097eefc22fac047ac9aee7e73 [0,2,0,0,0,0|0,0,0]=2 2820 B13R1.371 CCOCNc1ccc(cc1)SC dbe6be20913731309bb20e29e395841b [0,2,0,0,0,0|0,1,0]=3 2821 B13R1.371 CCOCNc1ccc(cn1)CC 7b99c85e32da73d8dc7423867f8b5038 [0,2,0,0,0,0|2,0,0]=4 2822 B13R1.371 CCOCNc1ccc(cn1)OC 6d0c48eac01d8f82fb1a9eb9c519af6f [0,2,0,0,0,0|1,0,0]=3 2823 B13R1.371 CCOCNc1ccc(nc1)CC f217dcc2db923f664074e82415bb4a7c [0,2,0,0,0,0|2,0,0]=4 2824 B13R1.371 CCOCNc1ccc(nc1)OC 9a5de87082246a7e527bf86c3c2d5456 [0,2,0,0,0,0|1,0,0]=3 2825 B13R1.371 CCOCNc1ccc(nc1)SC 6c3117bed6157f88db81bfdec665992f [0,2,0,0,0,0|1,1,0]=4 2826 B13R1.371 CCOCNc1cnc(cn1)OC 9f8f0e76d05bfe8e827bb1201de1df5f [0,2,0,0,0,0|2,0,0]=4 2827 B13R1.371 CCOCNc1ncc(cn1)OC a439d85d7b03b111dfe804e50629e06d [0,2,0,0,0,0|2,0,0]=4 2828 B13R1.371 CCOCOc1ccc(cc1)C=O c90780b51299381f8f021aba3aa6aec8 [0,2,0,0,0,0|2,0,0]=4 2829 B13R1.371 CCOCOc1ccc(cc1)N=O 426ee164bf8b9718237300bb3d4f0470 [0,2,0,0,0,0|2,0,0]=4 2830 B13R1.371 CCOCOc1ccc(cc1)OC adf742897cd134d1086cde0ceba8c60d [0,2,0,0,0,0|0,0,0]=2 2831 B13R1.371 CCOCOc1ccc(cc1)SC c11a8d7051a8e6bc747a3992846c5663 [0,2,0,0,0,0|0,1,0]=3 2832 B13R1.371 CCOCOc1ccc(cn1)OC daf6deb85234e75742cce5749087fa44 [0,2,0,0,0,0|1,0,0]=3 2833 B13R1.371 CCOCOc1ccc(nc1)SC 7c4ab89fd17e733f0ae7d778c107e2a3 [0,2,0,0,0,0|1,1,0]=4 2834 B13R1.371 CCc1ccc(cc1)CCNC=O 6edf1e12fc3db0508492f54a7a5151be [0,2,0,0,0,0|1,0,1]=4 2835 B13R1.371 CCc1ccc(cc1)CCNCF c53f6d17e852eff4f530e371e53f364f [0,2,0,0,0,0|1,0,0]=3 2836 B13R1.371 CCc1ccc(cc1)CCNCO fe27b74b14539e572ddc9be8abf3d94c [0,2,0,0,0,0|1,0,0]=3 2837 B13R1.371 CCc1ccc(cc1)CNCC#N 16b7aa221bd7ad4871c9e88bd2d91ce6 [0,2,0,0,0,0|1,0,1]=4 2838 B13R1.371 CCc1ccc(cc1)CNCC=O 50c0356de454226e3a5b070b6bba27a9 [0,2,0,0,0,0|1,0,1]=4 2839 B13R1.371 CCc1ccc(cc1)CNCCBr dd43e48ca78d937e7554326e2923d865 [0,2,0,0,0,0|1,0,0]=3 2840 B13R1.371 CCc1ccc(cc1)CNCCF 1aa2bb3cdd8a28972b083389b718bec1 [0,2,0,0,0,0|1,0,0]=3 2841 B13R1.371 CCc1ccc(cc1)CNCCI 78b0fd8d4418e3c9ea69f03221a54eea [0,2,0,0,0,0|1,0,0]=3 2842 B13R1.371 CCc1ccc(cc1)CNCCO 28f3c2fcf0127f14ce9893467d5c45ba [0,2,0,0,0,0|1,0,0]=3 2843 B13R1.371 CCc1ccc(cc1)CNCCS 7602c62ba8fe78c70f82f677541a931f [0,2,0,0,0,0|1,0,0]=3 2844 B13R1.371 CCc1ccc(cc1)CNCOC 099c7f53b43d650bb6f256a041f7931a [0,2,0,0,0,0|1,0,0]=3 2845 B13R1.371 CCc1ccc(cc1)CNCSC 1cbeff5c7f4d6291826ded51f222d8fc [0,2,0,0,0,0|1,0,0]=3 2846 B13R1.371 CCc1ccc(cc1)COCC#N 42f2199a5d41db744af260a24ebee5a2 [0,2,0,0,0,0|1,0,1]=4 2847 B13R1.371 CCc1ccc(cc1)COCC=O 1f85d9e344144795a4f7db43a173b837 [0,2,0,0,0,0|1,0,1]=4 2848 B13R1.371 CCc1ccc(cc1)COCCF 052cd45f3042f603079c64dc708e3743 [0,2,0,0,0,0|1,0,0]=3 2849 B13R1.371 CCc1ccc(cc1)COCCS d7eab65b24d292ec723fdb7466005f47 [0,2,0,0,0,0|1,0,0]=3 2850 B13R1.371 CCc1ccc(cc1)COCOC 4f4e796d20d66b47c1490d097ce2d491 [0,2,0,0,0,0|1,0,0]=3 2851 B13R1.371 CCc1ccc(cc1)COCSC d6926761ea49c7b87a0276d4d7e0cc0b [0,2,0,0,0,0|1,0,0]=3 2852 B13R1.371 CCc1ccc(cc1)NCCC#N 3a45499a0a44f5c5813e6018d42c1e51 [0,2,0,0,0,0|1,0,1]=4 2853 B13R1.371 CCc1ccc(cc1)NCCC=O a020a0dc330247517cbe5503372346ef [0,2,0,0,0,0|1,0,1]=4 2854 B13R1.371 CCc1ccc(cc1)NCCCCl 3100baf7437603de0db316c7fa9ae45f [0,2,0,0,0,0|1,0,0]=3 2855 B13R1.371 CCc1ccc(cc1)NCCCF 42c501d533de42eff42e389bf3cd0dec [0,2,0,0,0,0|1,0,0]=3 2856 B13R1.371 CCc1ccc(cc1)NCCCO f75693f146d166435bbbd93e488ba709 [0,2,0,0,0,0|1,0,0]=3 2857 B13R1.371 CCc1ccc(cc1)NCCCS 430ba568ecaf092c9467c0522c5aa359 [0,2,0,0,0,0|1,0,0]=3 2858 B13R1.371 CCc1ccc(cc1)NCCOC f5e40eed1a576f29a4255f08b90115ba [0,2,0,0,0,0|1,0,0]=3 2859 B13R1.371 CCc1ccc(cc1)NCCON 93018236a138fe4444e005f901d96f96 [0,2,0,0,0,0|2,0,0]=4 2860 B13R1.371 CCc1ccc(cc1)NCCSC b5740feb5d70d6d5af9d298a60484850 [0,2,0,0,0,0|1,0,0]=3 2861 B13R1.371 CCc1ccc(cc1)OCCC#N 3439e7a227b844d07fda44fec33bbcb6 [0,2,0,0,0,0|1,0,1]=4 2862 B13R1.371 CCc1ccc(cc1)OCCC=O a2ade388fc5433ba64cd27dcbde75a15 [0,2,0,0,0,0|1,0,1]=4 2863 B13R1.371 CCc1ccc(cc1)OCCCF 589bb1ae878f2d52351f38b8cd347a7b [0,2,0,0,0,0|1,0,0]=3 2864 B13R1.371 CCc1ccc(cc1)OCCOC 47d311278dacd5ec079d468c74812c22 [0,2,0,0,0,0|1,0,0]=3 2865 B13R1.371 CCc1ccc(cc1)OCCSC 1d487a446980b3f5dc68cf207dd91530 [0,2,0,0,0,0|1,0,0]=3 2866 B13R1.371 CCc1ccc(cn1)NCCCCl fe966df75f83e6a489b1f853ed29ba05 [0,2,0,0,0,0|2,0,0]=4 2867 B13R1.371 CCc1ccc(cn1)NCCCF 44ba975cb485aa08feffeff94d684e8b [0,2,0,0,0,0|2,0,0]=4 2868 B13R1.371 CCc1ccc(cn1)NCCCO 582aebf19b4f3a56d825f3ce9f835ec4 [0,2,0,0,0,0|2,0,0]=4 2869 B13R1.371 CCc1ccc(cn1)NCCCS 9bce571d16b9dcefa58dbd9a3e55fd4f [0,2,0,0,0,0|2,0,0]=4 2870 B13R1.371 CCc1ccc(cn1)NCCOC 5b0ea156cee515a80dc05bee4a473105 [0,2,0,0,0,0|2,0,0]=4 2871 B13R1.371 CCc1ccc(cn1)NCCSC 1651aa05ee6a5ab8bec546c1cbda8b48 [0,2,0,0,0,0|2,0,0]=4 2872 B13R1.371 CCc1ccc(nc1)CCOCF 27c783aed898d321791cd4cf16562dd2 [0,2,0,0,0,0|2,0,0]=4 2873 B13R1.371 CCc1ccc(nc1)COCCF 1c0c80536dca468c796e879af567f475 [0,2,0,0,0,0|2,0,0]=4 2874 B13R1.371 CCc1ccc(nc1)COCCS ba3d63f964360c410a8da8326831fad2 [0,2,0,0,0,0|2,0,0]=4 2875 B13R1.371 CCc1ccc(nc1)COCOC 23ebfe9e7689fdd5f7b1265e4de3e5bb [0,2,0,0,0,0|2,0,0]=4 2876 B13R1.371 CCc1ccc(nc1)COCSC 6eb34fafeb5aa1dcfbd5cb5332d7cd6a [0,2,0,0,0,0|2,0,0]=4 2877 B13R1.371 CCc1ccc(nc1)NCCCCl 8876ddd58fba058bc12146c5c404f01f [0,2,0,0,0,0|2,0,0]=4 2878 B13R1.371 CCc1ccc(nc1)NCCCF cf22a5493a02c1e3e0c7de7bee3981da [0,2,0,0,0,0|2,0,0]=4 2879 B13R1.371 CCc1ccc(nc1)NCCCO 050f7a13ab1ee1dc01db77b0a52ec46e [0,2,0,0,0,0|2,0,0]=4 2880 B13R1.371 CCc1ccc(nc1)NCCCS 60c04a49f2a1e610e98a4028a6f39baa [0,2,0,0,0,0|2,0,0]=4 2881 B13R1.371 CCc1ccc(nc1)NCCOC 94484abc09e3290aacf4a58541ec7048 [0,2,0,0,0,0|2,0,0]=4 2882 B13R1.371 CCc1ccc(nc1)NCCSC ef29a7ca839b2ab26799e4553689be45 [0,2,0,0,0,0|2,0,0]=4 2883 B13R1.371 CCc1ccc(nc1)OCCCF c7a12b29ef6c2bbc5a5d0a43ffbd8c1e [0,2,0,0,0,0|2,0,0]=4 2884 B13R1.371 CCc1ccc(nc1)OCCCS 38ae40c8c83b14320e0e4430f4b804c8 [0,2,0,0,0,0|2,0,0]=4 2885 B13R1.371 CCc1ccc(nc1)OCCOC 417dd00821e473a72499486bd8975de5 [0,2,0,0,0,0|2,0,0]=4 2886 B13R1.371 CCc1ccc(nc1)OCCSC 49fa5984014fbedd6dcd782de2b2f2bb [0,2,0,0,0,0|2,0,0]=4 2887 B13R1.371 COCCNc1ccc(cc1)C#N 7c61f024bddbb3f4341412565a8a3a98 [0,2,0,0,0,0|2,0,0]=4 2888 B13R1.371 COCCNc1ccc(cc1)C=O b7eac5f2393102c9d401efd7e9e5ede3 [0,2,0,0,0,0|2,0,0]=4 2889 B13R1.371 COCCNc1ccc(cc1)CF 80045b823e46d5158628b1d1f7e442c2 [0,2,0,0,0,0|2,0,0]=4 2890 B13R1.371 COCCNc1ccc(cc1)CO 5cc2af9f2a1aa3e3ea075f722cc6297b [0,2,0,0,0,0|2,0,0]=4 2891 B13R1.371 COCCNc1ccc(cc1)CS 344770e4d6ae1bec5355b62dc24dae6b [0,2,0,0,0,0|2,0,0]=4 2892 B13R1.371 COCCNc1ccc(cc1)NO 97c39db831c3880a83fe53e206df0d0f [0,2,0,0,0,0|2,0,0]=4 2893 B13R1.371 COCCNc1ccc(cc1)OC a053130e8d291c3436c76e6d1284cb40 [0,2,0,0,0,0|0,0,0]=2 2894 B13R1.371 COCCNc1ccc(cc1)SC 5783d7e04b8e221e4b1c5c0b9b4659a3 [0,2,0,0,0,0|0,1,0]=3 2895 B13R1.371 COCCNc1ccc(cn1)OC 310d3273260ffa75dd4c9e34c2568710 [0,2,0,0,0,0|1,0,0]=3 2896 B13R1.371 COCCNc1ccc(cn1)SC 3e79a2b6f748f25df33a706f06c54aff [0,2,0,0,0,0|1,1,0]=4 2897 B13R1.371 COCCNc1ccc(nc1)OC 18f3826941c638d614c5ebe873b85466 [0,2,0,0,0,0|1,0,0]=3 2898 B13R1.371 COCCNc1ccc(nc1)SC 3a9952296f98bcea990d78ee1dcb5068 [0,2,0,0,0,0|1,1,0]=4 2899 B13R1.371 COCCNc1ccc(nn1)OC 7d6cae74f2d8a53314e4c1bac8f4f76f [0,2,0,0,0,0|2,0,0]=4 2900 B13R1.371 COCCNc1cnc(cn1)OC 84f1161be5dc3745f017043625228f01 [0,2,0,0,0,0|2,0,0]=4 2901 B13R1.371 COCCNc1cnc(nc1)OC 855aa15e7e624f15c7b124580d50cbbb [0,2,0,0,0,0|2,0,0]=4 2902 B13R1.371 COCCNc1ncc(cn1)OC 32553c5246ecf7eb21f8874a6e2c9632 [0,2,0,0,0,0|2,0,0]=4 2903 B13R1.371 COCCOc1ccc(cc1)C#N 0f5ae91d7dfdb225de1599929d87e8e3 [0,2,0,0,0,0|2,0,0]=4 2904 B13R1.371 COCCOc1ccc(cc1)C=O ba6f1bef9973499ef8f5d68d4eb67883 [0,2,0,0,0,0|2,0,0]=4 2905 B13R1.371 COCCOc1ccc(cc1)N=O 3cef0d6661028ff39d532cab79a9f815 [0,2,0,0,0,0|2,0,0]=4 2906 B13R1.371 COCCOc1ccc(cc1)OC 081c91c9dbdbe331c94695285e05f78b [0,2,0,0,0,0|0,0,0]=2 2907 B13R1.371 COCCOc1ccc(cc1)SC 60f1b0df0c12954df3ee8307836a4df3 [0,2,0,0,0,0|0,1,0]=3 2908 B13R1.371 COCCOc1ccc(cn1)OC e7e88510c3d9a6b0d5cb0eeac50520b6 [0,2,0,0,0,0|1,0,0]=3 2909 B13R1.371 COCCOc1ccc(nc1)OC 4f7a6b295165c316e1429384a8d30d16 [0,2,0,0,0,0|1,0,0]=3 2910 B13R1.371 COCCOc1ccc(nc1)SC 5fc8d9d3cb044ceaeb39beb278498f76 [0,2,0,0,0,0|1,1,0]=4 2911 B13R1.371 COCCOc1cnc(nc1)OC 928602b0ed0aaafc72292821dd2462a7 [0,2,0,0,0,0|2,0,0]=4 2912 B13R1.371 COCNCc1ccc(cc1)C#N ca0dbf8ca14903fa691c29837d939e82 [0,2,0,0,0,0|2,0,0]=4 2913 B13R1.371 COCNCc1ccc(cc1)CBr f51000469f166ea14884761221b61749 [0,2,0,0,0,0|2,0,0]=4 2914 B13R1.371 COCNCc1ccc(cc1)CO f3b6f3bb9be920902cdd20c40d971ec1 [0,2,0,0,0,0|2,0,0]=4 2915 B13R1.371 COCNCc1ccc(cc1)OC 58ea0afc5ff99efbaf8c0796dc3dedd5 [0,2,0,0,0,0|0,0,0]=2 2916 B13R1.371 COCNCc1ccc(cc1)SC 1f3c1a6ac98c2845acff27ab0a96f8e6 [0,2,0,0,0,0|0,1,0]=3 2917 B13R1.371 COCNCc1ccc(cn1)OC 7c7ec1aee136674842f397ce53fa521b [0,2,0,0,0,0|1,0,0]=3 2918 B13R1.371 COCNCc1ccc(nc1)OC 6f3e89192ed747a88201d7ac01bae7ca [0,2,0,0,0,0|1,0,0]=3 2919 B13R1.371 COCNCc1ccc(nn1)OC 95fadb728f445c1d70f9333814ddabb7 [0,2,0,0,0,0|2,0,0]=4 2920 B13R1.371 COCNCc1cnc(nc1)OC bf9247acaee4f81922bd4a5674797670 [0,2,0,0,0,0|2,0,0]=4 2921 B13R1.371 COCOCc1ccc(cc1)C#N 43bcc06566b77fb8a7d30bf90edd28e5 [0,2,0,0,0,0|2,0,0]=4 2922 B13R1.371 COCOCc1ccc(cc1)C=O 8dc8c0a7e637f809f8a65d2c0b26dfa5 [0,2,0,0,0,0|2,0,0]=4 2923 B13R1.371 COCOCc1ccc(cc1)OC b12b452d2748f080458998e2edabc008 [0,2,0,0,0,0|0,0,0]=2 2924 B13R1.371 COCOCc1ccc(cc1)SC b8e8287ac77acc33dfa59f656e78f075 [0,2,0,0,0,0|0,1,0]=3 2925 B13R1.371 COCOCc1ccc(cn1)OC 9572dcbe0b8ebf5c91a1924b06850518 [0,2,0,0,0,0|1,0,0]=3 2926 B13R1.371 COCOCc1ccc(nc1)OC 10a3abb161d6f9e6e7141f5bb3589b45 [0,2,0,0,0,0|1,0,0]=3 2927 B13R1.371 COCOCc1ccc(nc1)SC 055d1be64239d4f994f3511594353abe [0,2,0,0,0,0|1,1,0]=4 2928 B13R1.371 COCOCc1ccc(nn1)OC f36b6a47537f1a8730438a39cb14e09d [0,2,0,0,0,0|2,0,0]=4 2929 B13R1.371 COCOCc1cnc(cn1)OC 4d3cb310220893c643085ea615821498 [0,2,0,0,0,0|2,0,0]=4 2930 B13R1.371 COCOCc1cnc(nc1)OC 724fe4a3dd90da59489759bf7ac3591e [0,2,0,0,0,0|2,0,0]=4 2931 B13R1.371 COCOCc1ncc(cn1)OC a10dcad80101aa6cd133184a2ec33bee [0,2,0,0,0,0|2,0,0]=4 2932 B13R1.371 COc1ccc(cc1)CCNC#N d6434ad36bd5222577af88c765910781 [0,2,0,0,0,0|0,0,1]=3 2933 B13R1.371 COc1ccc(cc1)CCNC=O b7a9075d4c70eefe4df221be98559806 [0,2,0,0,0,0|0,0,1]=3 2934 B13R1.371 COc1ccc(cc1)CCNCF f895f2a2a75385e67752f9ad79de2c65 [0,2,0,0,0,0|0,0,0]=2 2935 B13R1.371 COc1ccc(cc1)CCNCO a0116c69941be9442042687c6c4b16a4 [0,2,0,0,0,0|0,0,0]=2 2936 B13R1.371 COc1ccc(cc1)CCOCF e99442ea78007289ed258813e79a875b [0,2,0,0,0,0|0,0,0]=2 2937 B13R1.371 COc1ccc(cc1)CNCC#N 15ff2b57ac07eb4fe1949df3491a07c1 [0,2,0,0,0,0|0,0,1]=3 2938 B13R1.371 COc1ccc(cc1)CNCC=O 5b947324b80455e344f903d50b0a2e70 [0,2,0,0,0,0|0,0,1]=3 2939 B13R1.371 COc1ccc(cc1)CNCCBr 99a1b5a1cc90e61a7aec73df74298fb3 [0,2,0,0,0,0|0,0,0]=2 2940 B13R1.371 COc1ccc(cc1)CNCCF 2cb7daa9563b06474dd89e6a4c0ab138 [0,2,0,0,0,0|0,0,0]=2 2941 B13R1.371 COc1ccc(cc1)CNCCI 45d71f95cf0f120de55fb282132652f0 [0,2,0,0,0,0|0,0,0]=2 2942 B13R1.371 COc1ccc(cc1)CNCCO d925e411d29bef401c8358d86ba0863a [0,2,0,0,0,0|0,0,0]=2 2943 B13R1.371 COc1ccc(cc1)CNCCS c437d3977496213372e813cf034e3925 [0,2,0,0,0,0|0,0,0]=2 2944 B13R1.371 COc1ccc(cc1)CNCSC f0a2a89b41fc29e09c26acfdb61f08c2 [0,2,0,0,0,0|0,0,0]=2 2945 B13R1.371 COc1ccc(cc1)COCC#N 184b09f2cb5e2dcf6b69b20c22323e01 [0,2,0,0,0,0|0,0,1]=3 2946 B13R1.371 COc1ccc(cc1)COCC=O 881f6ac9050ab0bb5771e064912b02c3 [0,2,0,0,0,0|0,0,1]=3 2947 B13R1.371 COc1ccc(cc1)COCCF 63b880fde60224d64ace68d903ba6485 [0,2,0,0,0,0|0,0,0]=2 2948 B13R1.371 COc1ccc(cc1)COCCS fdd1d79b3aa2eec5b838354b2e7f652a [0,2,0,0,0,0|0,0,0]=2 2949 B13R1.371 COc1ccc(cc1)COCSC da5de504d901a8cc8277e482aa84803b [0,2,0,0,0,0|0,0,0]=2 2950 B13R1.371 COc1ccc(cc1)NC/C=C/Cl e9297b37bb88b46ae3990e618aa94afc [0,2,0,0,0,0|0,0,2]=4 2951 B13R1.371 COc1ccc(cc1)NC/C=C\Cl ec83ebfb2d047ce0bc71f9ee55f909aa [0,2,0,0,0,0|0,0,2]=4 2952 B13R1.371 COc1ccc(cc1)NC/C=C\O 8056f59a72381fe55736485d11bcb988 [0,2,0,0,0,0|0,0,2]=4 2953 B13R1.371 COc1ccc(cc1)NCCC#N 0dde383a7fe097828c29a2a53a4a6217 [0,2,0,0,0,0|0,0,1]=3 2954 B13R1.371 COc1ccc(cc1)NCCC=O af71a0b1ffb4f7894579d4b564c39a40 [0,2,0,0,0,0|0,0,1]=3 2955 B13R1.371 COc1ccc(cc1)NCCCCl 8f2e2bc0830699bd6d83658624dcbef5 [0,2,0,0,0,0|0,0,0]=2 2956 B13R1.371 COc1ccc(cc1)NCCCF 6247da5e1d0ba0d8a187d4f76505e38e [0,2,0,0,0,0|0,0,0]=2 2957 B13R1.371 COc1ccc(cc1)NCCCO 30c4ad5f1341c51305350079662c43e6 [0,2,0,0,0,0|0,0,0]=2 2958 B13R1.371 COc1ccc(cc1)NCCCS f08d62e7b450b3511bd58e26feacacc3 [0,2,0,0,0,0|0,0,0]=2 2959 B13R1.371 COc1ccc(cc1)NCCON 551110cee9f4738f6a37c42f77a8faea [0,2,0,0,0,0|1,0,0]=3 2960 B13R1.371 COc1ccc(cc1)NCCSC e34b23ffef72925adbfbda94e0dc98ac [0,2,0,0,0,0|0,0,0]=2 2961 B13R1.371 COc1ccc(cc1)NCSC#N a6e8ed6f45af3eca6e139f2fd71e9211 [0,2,0,0,0,0|1,0,1]=4 2962 B13R1.371 COc1ccc(cc1)OC/C=C/Cl 73feb231ad570e999667fd3cb98036f1 [0,2,0,0,0,0|0,0,2]=4 2963 B13R1.371 COc1ccc(cc1)OC/C=C\Cl bb3e424c631f12acd7aa411a3f4ffae7 [0,2,0,0,0,0|0,0,2]=4 2964 B13R1.371 COc1ccc(cc1)OCCC#N 39832d6f40b826058ad3434107e1475c [0,2,0,0,0,0|0,0,1]=3 2965 B13R1.371 COc1ccc(cc1)OCCC=O a3ebe964beab952f2681d47fef4b6f4f [0,2,0,0,0,0|0,0,1]=3 2966 B13R1.371 COc1ccc(cc1)OCCCF 551b68db9adef373a0394d1687f019d1 [0,2,0,0,0,0|0,0,0]=2 2967 B13R1.371 COc1ccc(cc1)OCCCS 4993d43a482a893eaeea0ae231773078 [0,2,0,0,0,0|0,0,0]=2 2968 B13R1.371 COc1ccc(cc1)OCCSC 97891ac234566bfc17a8352fd06fda1e [0,2,0,0,0,0|0,0,0]=2 2969 B13R1.371 COc1ccc(cc1)OCSC#N 4628625be14b8ca1337d01550910dfd3 [0,2,0,0,0,0|1,0,1]=4 2970 B13R1.371 COc1ccc(cn1)CCNC=O 0b0d14e56b341f5338cc01c615dae776 [0,2,0,0,0,0|1,0,1]=4 2971 B13R1.371 COc1ccc(cn1)CCNCF 79ac9f30cc876dc5d13d81cc05d27113 [0,2,0,0,0,0|1,0,0]=3 2972 B13R1.371 COc1ccc(cn1)CCNCO 02811bd89eca9fed21376648c053fae8 [0,2,0,0,0,0|1,0,0]=3 2973 B13R1.371 COc1ccc(cn1)CNCC#N dc6cb992a455720c7582b2064aed5060 [0,2,0,0,0,0|1,0,1]=4 2974 B13R1.371 COc1ccc(cn1)CNCC=O 2d10997d8aa761fb6d01449936247b32 [0,2,0,0,0,0|1,0,1]=4 2975 B13R1.371 COc1ccc(cn1)CNCCBr de4224bc255c1e71fdeaa2d1ef9e708e [0,2,0,0,0,0|1,0,0]=3 2976 B13R1.371 COc1ccc(cn1)CNCCF 3ced2661a500c1f592d1a8c9b50857cb [0,2,0,0,0,0|1,0,0]=3 2977 B13R1.371 COc1ccc(cn1)CNCCI 9b7e24b3e3fe83514b492af5b160e9bb [0,2,0,0,0,0|1,0,0]=3 2978 B13R1.371 COc1ccc(cn1)CNCCO c2bae6e5c50b895d09c53dc330c5c090 [0,2,0,0,0,0|1,0,0]=3 2979 B13R1.371 COc1ccc(cn1)CNCCS 87c0ed9857e0ce09ce3d6133b1d9b5e8 [0,2,0,0,0,0|1,0,0]=3 2980 B13R1.371 COc1ccc(cn1)CNCSC e133d73b43d51fd0c3140f6a83d33f98 [0,2,0,0,0,0|1,0,0]=3 2981 B13R1.371 COc1ccc(cn1)COCC#N 9d63911a016a5921ab58ae1b20e3b3ae [0,2,0,0,0,0|1,0,1]=4 2982 B13R1.371 COc1ccc(cn1)COCC=O 84643f02b7b60ef372bdb10200cde113 [0,2,0,0,0,0|1,0,1]=4 2983 B13R1.371 COc1ccc(cn1)COCCF 1e6a50433545833c0fcbcbf29b97c461 [0,2,0,0,0,0|1,0,0]=3 2984 B13R1.371 COc1ccc(cn1)COCCS fe0270bb02d0bf9b42e0d055d1e29be7 [0,2,0,0,0,0|1,0,0]=3 2985 B13R1.371 COc1ccc(cn1)COCSC 95452f94544ced7711e269c877496c5e [0,2,0,0,0,0|1,0,0]=3 2986 B13R1.371 COc1ccc(cn1)NCCC#N a141d3fb40b1a8cce74c007e07932450 [0,2,0,0,0,0|1,0,1]=4 2987 B13R1.371 COc1ccc(cn1)NCCC=O b0ee2dbca0d69a684ecc78eecea50109 [0,2,0,0,0,0|1,0,1]=4 2988 B13R1.371 COc1ccc(cn1)NCCCCl 831bd0390a381e9d108c37b0ead87fa1 [0,2,0,0,0,0|1,0,0]=3 2989 B13R1.371 COc1ccc(cn1)NCCCF 4eac1ea45fc9a2844bed8bb99e8eee1d [0,2,0,0,0,0|1,0,0]=3 2990 B13R1.371 COc1ccc(cn1)NCCCO fcaed0862e225979863a5e0851809acf [0,2,0,0,0,0|1,0,0]=3 2991 B13R1.371 COc1ccc(cn1)NCCCS e01e501e07100a5b7729387c88623c4a [0,2,0,0,0,0|1,0,0]=3 2992 B13R1.371 COc1ccc(cn1)NCCON 9abdfd023c801b4932d7a1a637ef6c28 [0,2,0,0,0,0|2,0,0]=4 2993 B13R1.371 COc1ccc(cn1)NCCSC 13b1bce76de2f1819db14e59c761e047 [0,2,0,0,0,0|1,0,0]=3 2994 B13R1.371 COc1ccc(cn1)OCCC#N c942b7e43794d5778c1b16ef5d32b5a7 [0,2,0,0,0,0|1,0,1]=4 2995 B13R1.371 COc1ccc(cn1)OCCC=O 47a6c225327e6f1e6a1a877365ec6022 [0,2,0,0,0,0|1,0,1]=4 2996 B13R1.371 COc1ccc(cn1)OCCCF f9f1bd813a87c81113bfb8a1ce5a01d1 [0,2,0,0,0,0|1,0,0]=3 2997 B13R1.371 COc1ccc(cn1)OCCCS ac8f3b5cb28ae0d8ceb04332a14e2a90 [0,2,0,0,0,0|1,0,0]=3 2998 B13R1.371 COc1ccc(cn1)OCCSC 2f30c589585161127d651ff6f269c446 [0,2,0,0,0,0|1,0,0]=3 2999 B13R1.371 COc1ccc(nc1)CNCC#N 7885265bd7a40733398722eeba8a599e [0,2,0,0,0,0|1,0,1]=4 3000 B13R1.371 COc1ccc(nc1)CNCC=O f6fe112e52ebf8a0ab2d52282e6f7b6a [0,2,0,0,0,0|1,0,1]=4 3001 B13R1.371 COc1ccc(nc1)CNCCBr 48149e81586fdf90b5d8a0357bb60c69 [0,2,0,0,0,0|1,0,0]=3 3002 B13R1.371 COc1ccc(nc1)CNCCF 3228bd17a053b1e47d5e0668433b830d [0,2,0,0,0,0|1,0,0]=3 3003 B13R1.371 COc1ccc(nc1)CNCCI ce356c831244cf0b01c8e4121160c235 [0,2,0,0,0,0|1,0,0]=3 3004 B13R1.371 COc1ccc(nc1)CNCCO e08e1b93615896e3260656129bb03a67 [0,2,0,0,0,0|1,0,0]=3 3005 B13R1.371 COc1ccc(nc1)CNCCS b26a18009d640bd1c964c4f3fa43ed1f [0,2,0,0,0,0|1,0,0]=3 3006 B13R1.371 COc1ccc(nc1)CNCSC 0e0c66d37c5d3ee68f25ed9df2bfb4f5 [0,2,0,0,0,0|1,0,0]=3 3007 B13R1.371 COc1ccc(nc1)COCC#N 2f799f015ea57a074466efe8c3d24932 [0,2,0,0,0,0|1,0,1]=4 3008 B13R1.371 COc1ccc(nc1)COCC=O c0c999dd3c23017e69b72895f2ec1603 [0,2,0,0,0,0|1,0,1]=4 3009 B13R1.371 COc1ccc(nc1)COCCF a980fbabcba066fa57a44e5bdd89e6b2 [0,2,0,0,0,0|1,0,0]=3 3010 B13R1.371 COc1ccc(nc1)COCCS 458d9d71a5ebb345c74058016f6b0096 [0,2,0,0,0,0|1,0,0]=3 3011 B13R1.371 COc1ccc(nc1)COCSC 22d0ddb5bbd3609eba7cfd0bb8673c56 [0,2,0,0,0,0|1,0,0]=3 3012 B13R1.371 COc1ccc(nc1)NCCC#N d180be908a804ed4eeb5c08b174468a9 [0,2,0,0,0,0|1,0,1]=4 3013 B13R1.371 COc1ccc(nc1)NCCC=O 79bd06d1b854d1db54b1bc4f6d32653c [0,2,0,0,0,0|1,0,1]=4 3014 B13R1.371 COc1ccc(nc1)NCCCCl 720d35768b21b4b03e03b45481dbf643 [0,2,0,0,0,0|1,0,0]=3 3015 B13R1.371 COc1ccc(nc1)NCCCF a379660ce1fec41e88f318d605b7919f [0,2,0,0,0,0|1,0,0]=3 3016 B13R1.371 COc1ccc(nc1)NCCCO 8a376442829758aa38253299fb2c9fcf [0,2,0,0,0,0|1,0,0]=3 3017 B13R1.371 COc1ccc(nc1)NCCCS fa8a589d1dd89243204da0353e675918 [0,2,0,0,0,0|1,0,0]=3 3018 B13R1.371 COc1ccc(nc1)NCCON 1fcc4ec2b80f87d643964d4b3b9b5214 [0,2,0,0,0,0|2,0,0]=4 3019 B13R1.371 COc1ccc(nc1)NCCSC 99b1709ff2cfcb8bb6d4854d5ecfc745 [0,2,0,0,0,0|1,0,0]=3 3020 B13R1.371 COc1ccc(nc1)OCCC#N cddbbbbce1a81564a6eadcf867ea41f4 [0,2,0,0,0,0|1,0,1]=4 3021 B13R1.371 COc1ccc(nc1)OCCC=O c9db6630db0c48b93e2efda7808f797b [0,2,0,0,0,0|1,0,1]=4 3022 B13R1.371 COc1ccc(nc1)OCCCF 44f282a83b4d183f20d4d5b23761fc8f [0,2,0,0,0,0|1,0,0]=3 3023 B13R1.371 COc1ccc(nc1)OCCCS 0ac4067d36c6e8258d1e70f23e3bce94 [0,2,0,0,0,0|1,0,0]=3 3024 B13R1.371 COc1ccc(nc1)OCCSC 69ff589dd7f156390ebb391cc58d41db [0,2,0,0,0,0|1,0,0]=3 3025 B13R1.371 COc1ccc(nn1)CNCCF 82640a9d73fb6bd860b5c0de1ede4e16 [0,2,0,0,0,0|2,0,0]=4 3026 B13R1.371 COc1ccc(nn1)CNCCO d6d08efb241d9cf723813dad8beed901 [0,2,0,0,0,0|2,0,0]=4 3027 B13R1.371 COc1ccc(nn1)CNCCS bbae093687500a0675832344fb140865 [0,2,0,0,0,0|2,0,0]=4 3028 B13R1.371 COc1ccc(nn1)CNCSC 1e03d03a0ad522703252b83df84726af [0,2,0,0,0,0|2,0,0]=4 3029 B13R1.371 COc1ccc(nn1)COCCF 973e544aafa9cbe80120683274a8da9b [0,2,0,0,0,0|2,0,0]=4 3030 B13R1.371 COc1ccc(nn1)COCCS 9a25cdcf81244800e9d73cdca498d558 [0,2,0,0,0,0|2,0,0]=4 3031 B13R1.371 COc1ccc(nn1)COCSC 763ec2be6317e28c786e2f6b4fa0919f [0,2,0,0,0,0|2,0,0]=4 3032 B13R1.371 COc1ccc(nn1)NCCCCl ac6e56fa8ec9f66676ec48893823c180 [0,2,0,0,0,0|2,0,0]=4 3033 B13R1.371 COc1ccc(nn1)NCCCF 2cf1796ef194508396d22af36c626f2e [0,2,0,0,0,0|2,0,0]=4 3034 B13R1.371 COc1ccc(nn1)NCCCO c17b354931a574c69e543cdf7d6bec0f [0,2,0,0,0,0|2,0,0]=4 3035 B13R1.371 COc1ccc(nn1)NCCCS 8515cf9600b9946e33ca6ba25a8e81c4 [0,2,0,0,0,0|2,0,0]=4 3036 B13R1.371 COc1ccc(nn1)NCCSC f7f6befdf7ae308fb9e902eb485110d7 [0,2,0,0,0,0|2,0,0]=4 3037 B13R1.371 COc1cnc(cn1)CNCCBr 316fa8a2c0aba48cad72e47301df0795 [0,2,0,0,0,0|2,0,0]=4 3038 B13R1.371 COc1cnc(cn1)CNCCF 1fe317fa2fcbe07a83924ebecf8fff72 [0,2,0,0,0,0|2,0,0]=4 3039 B13R1.371 COc1cnc(cn1)CNCCI 7b594afdcc2dc4243cfa55635cab2fbc [0,2,0,0,0,0|2,0,0]=4 3040 B13R1.371 COc1cnc(cn1)CNCCO 00fbc8b4f6afa513da7b71ed8ee57221 [0,2,0,0,0,0|2,0,0]=4 3041 B13R1.371 COc1cnc(cn1)CNCCS d239999dd6da36367fde392aa755b2d3 [0,2,0,0,0,0|2,0,0]=4 3042 B13R1.371 COc1cnc(cn1)COCCF 0f8a0fde650f8e60671839ea49b929f0 [0,2,0,0,0,0|2,0,0]=4 3043 B13R1.371 COc1cnc(cn1)COCCS 5f3fb304c65788fb832942d5c519150a [0,2,0,0,0,0|2,0,0]=4 3044 B13R1.371 COc1cnc(cn1)NCCCF 689726c111e6fc8355d87e313879b190 [0,2,0,0,0,0|2,0,0]=4 3045 B13R1.371 COc1cnc(cn1)NCCCO e70978355593e20d4344ecfc87ea29a9 [0,2,0,0,0,0|2,0,0]=4 3046 B13R1.371 COc1cnc(cn1)NCCCS bab672f1c8e628ff0bd00411fedeab59 [0,2,0,0,0,0|2,0,0]=4 3047 B13R1.371 COc1cnc(cn1)NCCSC 7058df1858bbcca59816dd1f41871515 [0,2,0,0,0,0|2,0,0]=4 3048 B13R1.371 COc1cnc(nc1)CNCCBr 2f59dda990cd1a222a005fd1c1eb9d19 [0,2,0,0,0,0|2,0,0]=4 3049 B13R1.371 COc1cnc(nc1)CNCCF a59a5b4a706825f17aab4222725baac8 [0,2,0,0,0,0|2,0,0]=4 3050 B13R1.371 COc1cnc(nc1)CNCCI 6f691c0475ea871f539368639558f106 [0,2,0,0,0,0|2,0,0]=4 3051 B13R1.371 COc1cnc(nc1)CNCCO 712ed5b19c59f7065d754b977cf8e2ee [0,2,0,0,0,0|2,0,0]=4 3052 B13R1.371 COc1cnc(nc1)CNCCS 814a17990e9701e87cdd3728c318653a [0,2,0,0,0,0|2,0,0]=4 3053 B13R1.371 COc1cnc(nc1)COCCF f92433f49814266bbfd0b6d0a19e289b [0,2,0,0,0,0|2,0,0]=4 3054 B13R1.371 COc1cnc(nc1)COCCS d304f9f28966bfbd186886e85280a856 [0,2,0,0,0,0|2,0,0]=4 3055 B13R1.371 COc1cnc(nc1)COCSC 199bacc1f7cdcee76fc3e1226e83d4d5 [0,2,0,0,0,0|2,0,0]=4 3056 B13R1.371 COc1cnc(nc1)NCCCCl 012efd3d3d5bbe05701cf20152f8bf5e [0,2,0,0,0,0|2,0,0]=4 3057 B13R1.371 COc1cnc(nc1)NCCCF 75b8e01ef2f7086dcd70e388096c36d4 [0,2,0,0,0,0|2,0,0]=4 3058 B13R1.371 COc1cnc(nc1)NCCCO 356fa4132bbc6ab49ba2668969dd7d8e [0,2,0,0,0,0|2,0,0]=4 3059 B13R1.371 COc1cnc(nc1)NCCCS 5716924bf0556ae76beb6a17296164af [0,2,0,0,0,0|2,0,0]=4 3060 B13R1.371 COc1cnc(nc1)NCCSC 5ef6d5944d96a30df8e116f823f30416 [0,2,0,0,0,0|2,0,0]=4 3061 B13R1.371 COc1ncc(cn1)CNCCBr 8a3721a0a599b2d7ed93be4b444c59b0 [0,2,0,0,0,0|2,0,0]=4 3062 B13R1.371 COc1ncc(cn1)CNCCF 78550c6eb3fd2cb6406624851da45f29 [0,2,0,0,0,0|2,0,0]=4 3063 B13R1.371 COc1ncc(cn1)CNCCI 5419999e297d4cfeff2c0e6c8c17cb09 [0,2,0,0,0,0|2,0,0]=4 3064 B13R1.371 COc1ncc(cn1)CNCCO 5156b4a9aae7faac4849efe753a3a753 [0,2,0,0,0,0|2,0,0]=4 3065 B13R1.371 COc1ncc(cn1)CNCCS 17bd55b912c2fdbf8a3fbc2d3c9069bb [0,2,0,0,0,0|2,0,0]=4 3066 B13R1.371 COc1ncc(cn1)CNCSC aa966841f2f11d733d799521848ca739 [0,2,0,0,0,0|2,0,0]=4 3067 B13R1.371 COc1ncc(cn1)COCCF cb0d261fa650f25e1672207cf59a08a5 [0,2,0,0,0,0|2,0,0]=4 3068 B13R1.371 COc1ncc(cn1)COCCS cca30ed725657cc9f808e89dc3651b5e [0,2,0,0,0,0|2,0,0]=4 3069 B13R1.371 COc1ncc(cn1)COCSC 828f6d40dfde902d8d17442bb6030ef0 [0,2,0,0,0,0|2,0,0]=4 3070 B13R1.371 COc1ncc(cn1)NCCCF ab37cb0e0f46ffec5663531eb2747de5 [0,2,0,0,0,0|2,0,0]=4 3071 B13R1.371 COc1ncc(cn1)NCCCO a5b224599360f676d21728c7612088b4 [0,2,0,0,0,0|2,0,0]=4 3072 B13R1.371 COc1ncc(cn1)NCCCS b32a737c4da44010880bbc43628591be [0,2,0,0,0,0|2,0,0]=4 3073 B13R1.371 COc1ncc(cn1)NCCSC 64b6f632eedf49523f0ac543109b3eda [0,2,0,0,0,0|2,0,0]=4 3074 B13R1.371 COc1ncc(cn1)OCCCF 33f9d7db21c88af9f5ed80afafba5d65 [0,2,0,0,0,0|2,0,0]=4 3075 B13R1.371 COc1ncc(cn1)OCCCS bb2b2e2b38ad79c05e0639ed0130a6e5 [0,2,0,0,0,0|2,0,0]=4 3076 B13R1.371 COc1ncc(cn1)OCCSC 6dab4253883a34ba2f0c4b0e54df6ac2 [0,2,0,0,0,0|2,0,0]=4 3077 B13R1.371 CSCCNc1ccc(cc1)C#N 126001592dc77c5dbdc130ef454943f3 [0,2,0,0,0,0|2,0,0]=4 3078 B13R1.371 CSCCNc1ccc(cc1)C=O a17a89704a2e16a146b24b8401b5922c [0,2,0,0,0,0|2,0,0]=4 3079 B13R1.371 CSCCNc1ccc(cc1)CO 3edcb2b9bdf68044bc8f3955af01f3d3 [0,2,0,0,0,0|2,0,0]=4 3080 B13R1.371 CSCCNc1ccc(cc1)SC 08da603acd5bae0b11163cd8172d2aca [0,2,0,0,0,0|0,1,0]=3 3081 B13R1.371 CSCCNc1ccc(cn1)SC 2a92d4a76eb08c5093d8cc1859f2bead [0,2,0,0,0,0|1,1,0]=4 3082 B13R1.371 CSCCNc1ccc(nc1)SC 92b775c97048e027b5a8df01f0f59ef7 [0,2,0,0,0,0|1,1,0]=4 3083 B13R1.371 CSCCOc1ccc(cc1)C#N daaa2cde287b35fc28b42b9bd4a439ca [0,2,0,0,0,0|2,0,0]=4 3084 B13R1.371 CSCCOc1ccc(cc1)C=O c763cc33f1ed89ac6ecdb23341e9d755 [0,2,0,0,0,0|2,0,0]=4 3085 B13R1.371 CSCCOc1ccc(cc1)N=O 1161963c5ee340ffae3baa1727fe3f5f [0,2,0,0,0,0|2,0,0]=4 3086 B13R1.371 CSCCOc1ccc(cc1)SC 108aad8db760a91ec54ac93639f16804 [0,2,0,0,0,0|0,1,0]=3 3087 B13R1.371 CSCCOc1ccc(nc1)SC eb2eb49217047031bb1abc3f9ea59a6a [0,2,0,0,0,0|1,1,0]=4 3088 B13R1.371 CSCNCc1ccc(cc1)C#N 7b809c83288dfb260ee2ea3332809480 [0,2,0,0,0,0|2,0,0]=4 3089 B13R1.371 CSCNCc1ccc(cc1)CBr 6d38bfde3a26dee864d35494f914c045 [0,2,0,0,0,0|2,0,0]=4 3090 B13R1.371 CSCNCc1ccc(cc1)CO 331bff41d80ad5de57d9ff1192ec5951 [0,2,0,0,0,0|2,0,0]=4 3091 B13R1.371 CSCNCc1ccc(cc1)SC bd553388568844265352250445b151f1 [0,2,0,0,0,0|0,1,0]=3 3092 B13R1.371 CSCOCc1ccc(cc1)C#N a80104973cedd5e7dfb88eb78fb535a2 [0,2,0,0,0,0|2,0,0]=4 3093 B13R1.371 CSCOCc1ccc(cc1)C=O 1bbf028d7905f66ae210477ed0ae1d1f [0,2,0,0,0,0|2,0,0]=4 3094 B13R1.371 CSCOCc1ccc(cc1)SC 67b89db0dad83f010c918a2f50afc28f [0,2,0,0,0,0|0,1,0]=3 3095 B13R1.371 CSCOCc1ccc(nc1)SC 7b7b69e698187d6eb313d75f82472038 [0,2,0,0,0,0|1,1,0]=4 3096 B13R1.371 CSc1ccc(cc1)CNCC#N 557c9ddb66ea45d0d82c5a246c28b015 [0,2,0,0,0,0|0,1,1]=4 3097 B13R1.371 CSc1ccc(cc1)CNCC=O 54af4076f0d4bd9f27daf42f078b4f4d [0,2,0,0,0,0|0,1,1]=4 3098 B13R1.371 CSc1ccc(cc1)CNCCBr 22433a126e703a9f460e06f24252a17d [0,2,0,0,0,0|0,1,0]=3 3099 B13R1.371 CSc1ccc(cc1)CNCCF fe352a4d4dccaf942517cf2392a546cf [0,2,0,0,0,0|0,1,0]=3 3100 B13R1.371 CSc1ccc(cc1)CNCCI ad0472aa51a4d3f3fd5674a737f939d7 [0,2,0,0,0,0|0,1,0]=3 3101 B13R1.371 CSc1ccc(cc1)CNCCO 73df2f73c60b1754e04a7c42f45aa8d9 [0,2,0,0,0,0|0,1,0]=3 3102 B13R1.371 CSc1ccc(cc1)CNCCS 1397d06c5f25d99db6e2064b3f9f90fd [0,2,0,0,0,0|0,1,0]=3 3103 B13R1.371 CSc1ccc(cc1)COCC#N 6eeda6d3598d4f29e3dca7c00738ebd6 [0,2,0,0,0,0|0,1,1]=4 3104 B13R1.371 CSc1ccc(cc1)COCC=O ccb016cea9308b2e0b9cb0db51f1d74c [0,2,0,0,0,0|0,1,1]=4 3105 B13R1.371 CSc1ccc(cc1)COCCF 99d52da80e4fae654dd1ff4322d8f35e [0,2,0,0,0,0|0,1,0]=3 3106 B13R1.371 CSc1ccc(cc1)COCCS d83ead18d2a186b38daa799db47d7b3d [0,2,0,0,0,0|0,1,0]=3 3107 B13R1.371 CSc1ccc(cc1)NCCC#N 045a8cf9b86b66bc55b379cfdfcb3b09 [0,2,0,0,0,0|0,1,1]=4 3108 B13R1.371 CSc1ccc(cc1)NCCC=O e21831feaf65ce63a10037d9ce32a40d [0,2,0,0,0,0|0,1,1]=4 3109 B13R1.371 CSc1ccc(cc1)NCCCCl ac595b39573a7fff0e192919a3dfb95c [0,2,0,0,0,0|0,1,0]=3 3110 B13R1.371 CSc1ccc(cc1)NCCCF b781929013e5f8867b025944815105a7 [0,2,0,0,0,0|0,1,0]=3 3111 B13R1.371 CSc1ccc(cc1)NCCCO 900b13ae1a6e8167f8cec5e3f07e16d9 [0,2,0,0,0,0|0,1,0]=3 3112 B13R1.371 CSc1ccc(cc1)NCCCS 3377f2a6f6cfbeee21deed1211f1aabc [0,2,0,0,0,0|0,1,0]=3 3113 B13R1.371 CSc1ccc(cc1)NCCON 70129b00b40eedb51f02474ef0a5b1e7 [0,2,0,0,0,0|1,1,0]=4 3114 B13R1.371 CSc1ccc(cc1)OCCC#N 1f1d677e6e91abf2551f117297613033 [0,2,0,0,0,0|0,1,1]=4 3115 B13R1.371 CSc1ccc(cc1)OCCC=O 8c03ff4be02cce3adb47fdc547be1c7e [0,2,0,0,0,0|0,1,1]=4 3116 B13R1.371 CSc1ccc(cc1)OCCCF dd32dd9ce73d391d595700a3f641ce58 [0,2,0,0,0,0|0,1,0]=3 3117 B13R1.371 CSc1ccc(cc1)OCCCS 0df3377a8d4aa47ca0add0baf1972654 [0,2,0,0,0,0|0,1,0]=3 3118 B13R1.371 CSc1ccc(cn1)COCCF 6642e2361ce5bdab0c7aa28c8233b7b5 [0,2,0,0,0,0|1,1,0]=4 3119 B13R1.371 CSc1ccc(cn1)COCCS 29f58a8d86c58d5c9614a48a3486d8c4 [0,2,0,0,0,0|1,1,0]=4 3120 B13R1.371 CSc1ccc(cn1)NCCCCl 9e44961f371d0878feccec0cca80ca7c [0,2,0,0,0,0|1,1,0]=4 3121 B13R1.371 CSc1ccc(cn1)NCCCF a26623382ac11d0905f22b3630ce217f [0,2,0,0,0,0|1,1,0]=4 3122 B13R1.371 CSc1ccc(cn1)NCCCO 93c00bc862d207d504d390e11ef6d616 [0,2,0,0,0,0|1,1,0]=4 3123 B13R1.371 CSc1ccc(cn1)NCCCS 03b4a51b4baa7ba290aab73f3a99b46d [0,2,0,0,0,0|1,1,0]=4 3124 B13R1.371 CSc1ccc(cn1)OCCCF 8781abb0f5b95c0dec563fe324f62e80 [0,2,0,0,0,0|1,1,0]=4 3125 B13R1.371 CSc1ccc(cn1)OCCCS 8c91998ab7481016a44468487ba939f2 [0,2,0,0,0,0|1,1,0]=4 3126 B13R1.371 CSc1ccc(nc1)NCCCF 65c3cf4a15387f63c997563148a8266e [0,2,0,0,0,0|1,1,0]=4 3127 B13R1.371 CSc1ccc(nc1)NCCCO e5a68afd3085b29f30563699474d1bc0 [0,2,0,0,0,0|1,1,0]=4 3128 B13R1.371 CSc1ccc(nc1)NCCCS e3bce54414699a3d7f9297527613e41c [0,2,0,0,0,0|1,1,0]=4 3129 B13R1.371 FCCNCc1ccc(cc1)CBr 06f14d1db804449d7dea23da127c57be [0,2,0,0,0,0|2,0,0]=4 3130 B13R1.371 FCc1ccc(cc1)NCCCCl 7b94bf6678dcbd63607172074dde5d7e [0,2,0,0,0,0|2,0,0]=4 3131 B13R1.371 N#Cc1ccc(cc1)CCNCF d446b993cce7559be49b796c2aa2f8fd [0,2,0,0,0,0|2,0,0]=4 3132 B13R1.371 N#Cc1ccc(cc1)CCNCO b509c7adb34dc061df54f127179876da [0,2,0,0,0,0|2,0,0]=4 3133 B13R1.371 N#Cc1ccc(cc1)CCOCF aaf45e7b2fd7a984bf9a965b44b03e43 [0,2,0,0,0,0|2,0,0]=4 3134 B13R1.371 N#Cc1ccc(cc1)CNCCBr 29516676aa0da5ef75b26fe5c7d0a85c [0,2,0,0,0,0|2,0,0]=4 3135 B13R1.371 N#Cc1ccc(cc1)CNCCF a0ffb366e37576519e29da74c224ac53 [0,2,0,0,0,0|2,0,0]=4 3136 B13R1.371 N#Cc1ccc(cc1)CNCCI 9b0e1fc5fc1b64f6b8750672f13a0820 [0,2,0,0,0,0|2,0,0]=4 3137 B13R1.371 N#Cc1ccc(cc1)CNCCO 5b70c312688f62d3354e16703129d458 [0,2,0,0,0,0|2,0,0]=4 3138 B13R1.371 N#Cc1ccc(cc1)CNCCS 7e303ca1b36593f44e816b96abb44a05 [0,2,0,0,0,0|2,0,0]=4 3139 B13R1.371 N#Cc1ccc(cc1)COCCF 27ecc59af7105a88d65b213beed6f6f6 [0,2,0,0,0,0|2,0,0]=4 3140 B13R1.371 N#Cc1ccc(cc1)COCCS edabb3f2381f9cea2f6ab65436c52e24 [0,2,0,0,0,0|2,0,0]=4 3141 B13R1.371 N#Cc1ccc(cc1)NCCCF e145d3b4157a71b76d60a18738b78b33 [0,2,0,0,0,0|2,0,0]=4 3142 B13R1.371 N#Cc1ccc(cc1)NCCCO dbe748c12056a8a9973869ee2a76fa1e [0,2,0,0,0,0|2,0,0]=4 3143 B13R1.371 N#Cc1ccc(cc1)NCCCS 65f3fb3ec489feaa6c1b31262752f29c [0,2,0,0,0,0|2,0,0]=4 3144 B13R1.371 N#Cc1ccc(cc1)OCCCF e8b896d95c5bc048a85d249ab3a0b0fa [0,2,0,0,0,0|2,0,0]=4 3145 B13R1.371 N#Cc1ccc(cc1)OCCCS 7cc067ffd741d1b432ddd21c92dbd590 [0,2,0,0,0,0|2,0,0]=4 3146 B13R1.371 O=Cc1ccc(cc1)CCOCF 6d02eb1194dfb5d05efaa2b19738d261 [0,2,0,0,0,0|2,0,0]=4 3147 B13R1.371 O=Cc1ccc(cc1)CNCCBr 47276b3a7a47b19a1dae04ed509d5950 [0,2,0,0,0,0|2,0,0]=4 3148 B13R1.371 O=Cc1ccc(cc1)CNCCF d05ec248c7adf862360e2afa50049278 [0,2,0,0,0,0|2,0,0]=4 3149 B13R1.371 O=Cc1ccc(cc1)CNCCI 68a5e556f012a68416e56478d07f7086 [0,2,0,0,0,0|2,0,0]=4 3150 B13R1.371 O=Cc1ccc(cc1)CNCCO ee0e9952965238111ba4ce2f3d6015ff [0,2,0,0,0,0|2,0,0]=4 3151 B13R1.371 O=Cc1ccc(cc1)CNCCS 15342a27d5201fdf2e6d91003ee198f6 [0,2,0,0,0,0|2,0,0]=4 3152 B13R1.371 O=Cc1ccc(cc1)COCCF 2794a78590ad5b00d435ef0987a3557c [0,2,0,0,0,0|2,0,0]=4 3153 B13R1.371 O=Cc1ccc(cc1)COCCS c2b718c97bda67ba19d15fcb3000fb6d [0,2,0,0,0,0|2,0,0]=4 3154 B13R1.371 O=Cc1ccc(cc1)NCCCCl fec5f84c1f22b974c8a3ff6d468c660a [0,2,0,0,0,0|2,0,0]=4 3155 B13R1.371 O=Cc1ccc(cc1)NCCCF e331b7600e4d87277463239074c8aa1f [0,2,0,0,0,0|2,0,0]=4 3156 B13R1.371 O=Cc1ccc(cc1)NCCCO f3cb61d69e9a51cb07c201ce295dff2d [0,2,0,0,0,0|2,0,0]=4 3157 B13R1.371 O=Cc1ccc(cc1)NCCCS a8d0211718c400827643aab73b376e8c [0,2,0,0,0,0|2,0,0]=4 3158 B13R1.371 O=Cc1ccc(cc1)OCCCF 27e4c7eda5c5eac49af4f09f0a84f47d [0,2,0,0,0,0|2,0,0]=4 3159 B13R1.371 O=Cc1ccc(cc1)OCCCS 4e08ebbf6cdae86f64990fafa5eae991 [0,2,0,0,0,0|2,0,0]=4 3160 B13R1.371 O=Nc1ccc(cc1)OCCCF d9db2ca778beb0da40a6f94ee7b9efd7 [0,2,0,0,0,0|2,0,0]=4 3161 B13R1.371 O=Nc1ccc(cc1)OCCCS a644a6164d22af1c85530a9dc6b00dc3 [0,2,0,0,0,0|2,0,0]=4 3162 B13R1.371 OCCCNc1ccc(cc1)CF 5fcdc333ae3d73e8b4c19cde5c79dae8 [0,2,0,0,0,0|2,0,0]=4 3163 B13R1.371 OCCCNc1ccc(cc1)CO 6c6360f320ad9decb967e08c20e10fce [0,2,0,0,0,0|2,0,0]=4 3164 B13R1.371 OCCCNc1ccc(cc1)CS f8e025f2acdcc0fcd9c0a35e75d06467 [0,2,0,0,0,0|2,0,0]=4 3165 B13R1.371 OCCCNc1ccc(cc1)NO 311e62e068729b51ce100fba857b2d43 [0,2,0,0,0,0|2,0,0]=4 3166 B13R1.371 OCCNCc1ccc(cc1)CBr 90932902ef52b932803fcbf71536746c [0,2,0,0,0,0|2,0,0]=4 3167 B13R1.371 OCCNCc1ccc(cc1)CO e2adc090502a3d4c0b05c079a9d2c1f6 [0,2,0,0,0,0|2,0,0]=4 3168 B13R1.371 OCNCCc1ccc(cc1)CO af4ec4d22fdbfe155006d388bffcc63f [0,2,0,0,0,0|2,0,0]=4 3169 B13R1.371 OCc1ccc(cc1)CCNCF f7bd483d316f21ae2b69146b72938689 [0,2,0,0,0,0|2,0,0]=4 3170 B13R1.371 OCc1ccc(cc1)CNCCBr f2fa8a7e219981b083d107aea5aed666 [0,2,0,0,0,0|2,0,0]=4 3171 B13R1.371 OCc1ccc(cc1)CNCCF 5aeb60e5cbcfc2f02b1dc0ed5d4014fd [0,2,0,0,0,0|2,0,0]=4 3172 B13R1.371 OCc1ccc(cc1)CNCCI 6560727278dfc228cd5e442a8ec893f2 [0,2,0,0,0,0|2,0,0]=4 3173 B13R1.371 OCc1ccc(cc1)CNCCS 87392bbc1bafbfc3a2367f3ee75534eb [0,2,0,0,0,0|2,0,0]=4 3174 B13R1.371 OCc1ccc(cc1)NCCCCl 457db4ec44159d018c7f2b6d41f0102d [0,2,0,0,0,0|2,0,0]=4 3175 B13R1.371 OCc1ccc(cc1)NCCCF 4685592c9919c3c009ecf03b9acf70c8 [0,2,0,0,0,0|2,0,0]=4 3176 B13R1.371 OCc1ccc(cc1)NCCCS 2fb74a29f15ce26784feeeb51156d31b [0,2,0,0,0,0|2,0,0]=4 3177 B13R1.371 ONc1ccc(cc1)NCCCCl 960e456d963eae8ee4ac1ee90be011c2 [0,2,0,0,0,0|2,0,0]=4 3178 B13R1.371 SCCNCc1ccc(cc1)CBr 9d2083dd3291110f3e76b41724453d00 [0,2,0,0,0,0|2,0,0]=4 3179 B13R1.371 SCc1ccc(cc1)NCCCCl af40371d7d641fe28e81dee233d1f6ee [0,2,0,0,0,0|2,0,0]=4 3180 B13R1.577 C#CCNc1ccc(c(c1)Br)OC 6914bec239e29b8eef3cd6fc09d373f6 [0,2,0,0,0,0|0,0,2]=4 3181 B13R1.577 C#CCNc1ccc(c(c1)C)OC edb114d6d6f7759038f104516cd05d64 [0,2,0,0,0,0|0,0,2]=4 3182 B13R1.577 C#CCNc1ccc(c(c1)Cl)OC b45b16b243f15c3a9c2290d2867454fe [0,2,0,0,0,0|0,0,2]=4 3183 B13R1.577 C#CCNc1ccc(c(c1)F)OC 53287a6f165ae7f657456c810d874b70 [0,2,0,0,0,0|0,0,2]=4 3184 B13R1.577 C#CCNc1ccc(c(c1)I)OC 62afec805a75abed9f5f2066757312ec [0,2,0,0,0,0|0,0,2]=4 3185 B13R1.577 C#CCOc1ccc(c(c1)Br)OC e7f3fef279d34f96525f836d0e373878 [0,2,0,0,0,0|0,0,2]=4 3186 B13R1.577 C#CCOc1ccc(c(c1)C)OC 8427887cc85b87feb4e6b002820200aa [0,2,0,0,0,0|0,0,2]=4 3187 B13R1.577 C#CCOc1ccc(c(c1)Cl)OC 81bf31fec4f0159f564230d518ec2bb1 [0,2,0,0,0,0|0,0,2]=4 3188 B13R1.577 C#CCOc1ccc(c(c1)F)OC 1903b7e22a10597ed553b3591c190e54 [0,2,0,0,0,0|0,0,2]=4 3189 B13R1.577 C#CCOc1ccc(c(c1)I)OC 065d562ab3dca900c6cc6b4fa02215ba [0,2,0,0,0,0|0,0,2]=4 3190 B13R1.577 C#Cc1ccc(cc1Cl)NCCC fb35f3fa2d20f4d02342885b5418e83d [0,2,0,0,0,0|1,0,1]=4 3191 B13R1.577 C#Cc1ccc(cc1F)NCCC 99f5370eaae0bb51f4d8fad4bc8459a6 [0,2,0,0,0,0|1,0,1]=4 3192 B13R1.577 C=CCNc1ccc(c(c1)Br)OC 982b6c64bb95175cd827d25d155e8a92 [0,2,0,0,0,0|0,0,2]=4 3193 B13R1.577 C=CCNc1ccc(c(c1)C)OC df4534d48f4da3d93921f59118c87caf [0,2,0,0,0,0|0,0,2]=4 3194 B13R1.577 C=CCNc1ccc(c(c1)Cl)OC 0d67abd360691a478a67826444b4634f [0,2,0,0,0,0|0,0,2]=4 3195 B13R1.577 C=CCNc1ccc(c(c1)F)OC 5692779d62ff85dae8fbfd14e4cad0a7 [0,2,0,0,0,0|0,0,2]=4 3196 B13R1.577 C=CCNc1ccc(c(c1)I)OC a42ad0a805eb54ebc6f8278cab4a14c4 [0,2,0,0,0,0|0,0,2]=4 3197 B13R1.577 C=CCOc1ccc(c(c1)Br)OC 071ba462f232a2c83755214d28985500 [0,2,0,0,0,0|0,0,2]=4 3198 B13R1.577 C=CCOc1ccc(c(c1)C)OC f77c72df2181f87c10bffb2ac41fb2ee [0,2,0,0,0,0|0,0,2]=4 3199 B13R1.577 C=CCOc1ccc(c(c1)Cl)OC 077e2afa1433241fb5cd318a27f1341c [0,2,0,0,0,0|0,0,2]=4 3200 B13R1.577 C=CCOc1ccc(c(c1)F)OC ac4dc01aa3076d5b6368aacd75f052a9 [0,2,0,0,0,0|0,0,2]=4 3201 B13R1.577 C=CCOc1ccc(c(c1)I)OC 93ea4aac086198e06a950ef0949e90e5 [0,2,0,0,0,0|0,0,2]=4 3202 B13R1.577 C=Cc1ccc(cc1F)NCCC 01592893b6a69062b9970b1229c61b93 [0,2,0,0,0,0|1,0,1]=4 3203 B13R1.577 C=Cc1ccc(cc1O)NCCC a69e2428827c6428790912279b17af2d [0,2,0,0,0,0|1,0,1]=4 3204 B13R1.577 CCCNc1cc(c(cn1)OC)C cfd8c5ce826ef6902b60e90c828a8252 [0,2,0,0,0,0|1,0,0]=3 3205 B13R1.577 CCCNc1cc(c(cn1)OC)Cl 99cead9b54f742ad5b9816ca92b8fb93 [0,2,0,0,0,0|1,0,0]=3 3206 B13R1.577 CCCNc1cc(c(cn1)OC)F c46466a12303e51134d06d3ed9c7c667 [0,2,0,0,0,0|1,0,0]=3 3207 B13R1.577 CCCNc1cc(c(nn1)OC)Cl f6f556e296cbe9964df18a488814d64d [0,2,0,0,0,0|2,0,0]=4 3208 B13R1.577 CCCNc1ccc(c(c1)Br)C#N 6a616e08e36ff1d7010341c72a247500 [0,2,0,0,0,0|2,0,0]=4 3209 B13R1.577 CCCNc1ccc(c(c1)Br)C=O 3e67d97abac8a654fdc5c60295ea0d0e [0,2,0,0,0,0|2,0,0]=4 3210 B13R1.577 CCCNc1ccc(c(c1)Br)CC 5acdd25afacbb973a3287d3442412b94 [0,2,0,0,0,0|1,0,0]=3 3211 B13R1.577 CCCNc1ccc(c(c1)Br)CO 307bb333355da40bc0b0d9d5c34b05df [0,2,0,0,0,0|2,0,0]=4 3212 B13R1.577 CCCNc1ccc(c(c1)Br)OC 30783a00dfd73db50671e1914c1f2458 [0,2,0,0,0,0|0,0,0]=2 3213 B13R1.577 CCCNc1ccc(c(c1)C)C#N 585092cbf646d674421c18ab99e3c9b2 [0,2,0,0,0,0|2,0,0]=4 3214 B13R1.577 CCCNc1ccc(c(c1)C)C=O 3218d55012ff8f49195ef879a5da1a6c [0,2,0,0,0,0|2,0,0]=4 3215 B13R1.577 CCCNc1ccc(c(c1)C)CO 74cd9329ce868058a4b6110e10d87497 [0,2,0,0,0,0|2,0,0]=4 3216 B13R1.577 CCCNc1ccc(c(c1)C)OC 850e1028a97439a881244598ee33e093 [0,2,0,0,0,0|0,0,0]=2 3217 B13R1.577 CCCNc1ccc(c(c1)C)SC ddb02035bc374a4cf707f0d1c9a4c671 [0,2,0,0,0,0|0,1,0]=3 3218 B13R1.577 CCCNc1ccc(c(c1)Cl)C#N 26ba3172b799f5269b74e6efafb1c3c1 [0,2,0,0,0,0|2,0,0]=4 3219 B13R1.577 CCCNc1ccc(c(c1)Cl)C=O e2bc446d8513eb1204d8ebcbb1697ab8 [0,2,0,0,0,0|2,0,0]=4 3220 B13R1.577 CCCNc1ccc(c(c1)Cl)CC 2234fa979c13f0401d52e6f5fd5692d7 [0,2,0,0,0,0|1,0,0]=3 3221 B13R1.577 CCCNc1ccc(c(c1)Cl)CO b125ca8e8db1fed6bc84b6cf116fe355 [0,2,0,0,0,0|2,0,0]=4 3222 B13R1.577 CCCNc1ccc(c(c1)Cl)OC 21b8c56157993565b6dd3257bea99d98 [0,2,0,0,0,0|0,0,0]=2 3223 B13R1.577 CCCNc1ccc(c(c1)Cl)SC a61621960e26bbc140d3308da1a44422 [0,2,0,0,0,0|0,1,0]=3 3224 B13R1.577 CCCNc1ccc(c(c1)F)C#N eec8d5c3cb3250e0c956eb78e99af48a [0,2,0,0,0,0|2,0,0]=4 3225 B13R1.577 CCCNc1ccc(c(c1)F)C=O 6f2512064d5a3e02c2c41abe9dee1a47 [0,2,0,0,0,0|2,0,0]=4 3226 B13R1.577 CCCNc1ccc(c(c1)F)CC 7c4ffbdf8651efdb37fc81b03d7862a7 [0,2,0,0,0,0|1,0,0]=3 3227 B13R1.577 CCCNc1ccc(c(c1)F)CO 0154dfc13036bfde9ae725f697271a10 [0,2,0,0,0,0|2,0,0]=4 3228 B13R1.577 CCCNc1ccc(c(c1)F)OC 29bca3f35d205a0cfeb4b61a51696fbf [0,2,0,0,0,0|0,0,0]=2 3229 B13R1.577 CCCNc1ccc(c(c1)F)SC 7f03de67bd33416d7a3f56c0101973f0 [0,2,0,0,0,0|0,1,0]=3 3230 B13R1.577 CCCNc1ccc(c(c1)I)CO 99ac156b0d51d3a9d711bed4fa89edd8 [0,2,0,0,0,0|2,0,0]=4 3231 B13R1.577 CCCNc1ccc(c(c1)I)OC 573445ae923d26c4156ac5290985d4d0 [0,2,0,0,0,0|0,0,0]=2 3232 B13R1.577 CCCNc1ccc(c(c1)N)CN cbeecabc981ee32ab5e79f08ebd507ff [0,2,0,0,0,0|2,0,0]=4 3233 B13R1.577 CCCNc1ccc(c(n1)Br)OC c97d01028d9a105f00b205371a8c266c [0,2,0,0,0,0|1,0,0]=3 3234 B13R1.577 CCCNc1ccc(c(n1)C)OC b829b894ef076c7317b39109e20b387a [0,2,0,0,0,0|1,0,0]=3 3235 B13R1.577 CCCNc1ccc(c(n1)Cl)OC 467daf70f97885c3cbb2eeafe21d6a06 [0,2,0,0,0,0|1,0,0]=3 3236 B13R1.577 CCCNc1ccn(c(=O)c1)CC cc488f9f53af14ca3d9ef30ba8fedd50 [0,2,0,0,0,0|2,0,0]=4 3237 B13R1.577 CCCNc1cnc(c(c1)Br)CC 5661ef38c00d88872453ea3464598939 [0,2,0,0,0,0|2,0,0]=4 3238 B13R1.577 CCCNc1cnc(c(c1)Br)OC aac5cff702ce61f5def75807a48a607f [0,2,0,0,0,0|1,0,0]=3 3239 B13R1.577 CCCNc1cnc(c(c1)C)OC ada5f73c1990d3ec24691686977447e7 [0,2,0,0,0,0|1,0,0]=3 3240 B13R1.577 CCCNc1cnc(c(c1)Cl)OC b491b376c36e69a6f4014a20bff6d8de [0,2,0,0,0,0|1,0,0]=3 3241 B13R1.577 CCCNc1cnc(c(c1)F)OC 59afe30f8910432209bd750a9e03f459 [0,2,0,0,0,0|1,0,0]=3 3242 B13R1.577 CCCNc1ncc(c(=O)[nH]1)OC 90a46b2d73070be0ed94d3e2cfb98980 [0,2,0,0,0,0|2,0,0]=4 3243 B13R1.577 CCCNc1ncc(c(n1)C)OC f294658afbeec16843bf1fac29e293cb [0,2,0,0,0,0|2,0,0]=4 3244 B13R1.577 CCCOc1ccc(c(c1)Br)C#N 52b7d13f9c660f05368848e5349bb663 [0,2,0,0,0,0|2,0,0]=4 3245 B13R1.577 CCCOc1ccc(c(c1)Br)C=O 8e9f4ce66fa4b405b36f467a2d02e3f7 [0,2,0,0,0,0|2,0,0]=4 3246 B13R1.577 CCCOc1ccc(c(c1)Br)CC aa2d6766dbd2f3ee5a1536b8829eb7cf [0,2,0,0,0,0|1,0,0]=3 3247 B13R1.577 CCCOc1ccc(c(c1)Br)OC 8de8ddd67baa47c7c9413df550205abc [0,2,0,0,0,0|0,0,0]=2 3248 B13R1.577 CCCOc1ccc(c(c1)C)C#N 983ea114129dadcc6c034ff50d921f79 [0,2,0,0,0,0|2,0,0]=4 3249 B13R1.577 CCCOc1ccc(c(c1)C)C=O a577c6a9728af0e42bb6c8686d46336a [0,2,0,0,0,0|2,0,0]=4 3250 B13R1.577 CCCOc1ccc(c(c1)C)OC 037206438c1e3879a701ec2428909fb8 [0,2,0,0,0,0|0,0,0]=2 3251 B13R1.577 CCCOc1ccc(c(c1)C)SC f90c0d092e3f4fb33e7d07d605aaa528 [0,2,0,0,0,0|0,1,0]=3 3252 B13R1.577 CCCOc1ccc(c(c1)Cl)C#N ebcbd9e6ee12276a148ed4ced00db19c [0,2,0,0,0,0|2,0,0]=4 3253 B13R1.577 CCCOc1ccc(c(c1)Cl)C=O 5b45b90bb448669435ba17a46da55081 [0,2,0,0,0,0|2,0,0]=4 3254 B13R1.577 CCCOc1ccc(c(c1)Cl)CC 810f5fb566ab68ed72ac46f434a56850 [0,2,0,0,0,0|1,0,0]=3 3255 B13R1.577 CCCOc1ccc(c(c1)Cl)OC 3a415dbb5222d12919535da1a615c297 [0,2,0,0,0,0|0,0,0]=2 3256 B13R1.577 CCCOc1ccc(c(c1)Cl)SC 2e1aae38f630ef34a395f1081e5133ed [0,2,0,0,0,0|0,1,0]=3 3257 B13R1.577 CCCOc1ccc(c(c1)F)C#N c25d41db67d88fd4c486c7fa624b77c0 [0,2,0,0,0,0|2,0,0]=4 3258 B13R1.577 CCCOc1ccc(c(c1)F)C=O 9581737faf3da34ce82e3f825f6a5427 [0,2,0,0,0,0|2,0,0]=4 3259 B13R1.577 CCCOc1ccc(c(c1)F)CC 6c3349225f6dc532b991864ad125a7a7 [0,2,0,0,0,0|1,0,0]=3 3260 B13R1.577 CCCOc1ccc(c(c1)F)OC 6105557333b186c93cc0f6cc0df17d08 [0,2,0,0,0,0|0,0,0]=2 3261 B13R1.577 CCCOc1ccc(c(c1)F)SC 16420a970776e5015e060d6f1c81e3cf [0,2,0,0,0,0|0,1,0]=3 3262 B13R1.577 CCCOc1ccc(c(c1)I)C#N 59880ccb3953a325b09becaaf3fd0b3f [0,2,0,0,0,0|2,0,0]=4 3263 B13R1.577 CCCOc1ccc(c(c1)I)C=O aea2214f91ec8c4ae9e5538655ce5067 [0,2,0,0,0,0|2,0,0]=4 3264 B13R1.577 CCCOc1ccc(c(c1)I)OC 341d987cd8f478c776ab635a202e1b8c [0,2,0,0,0,0|0,0,0]=2 3265 B13R1.577 CCCOc1cnc(c(c1)Br)OC b27f21c81b18cd228a726641584fcc52 [0,2,0,0,0,0|1,0,0]=3 3266 B13R1.577 CCCOc1cnc(c(c1)C)OC 092f3b2f2f971411d0e351eb5d0518d7 [0,2,0,0,0,0|1,0,0]=3 3267 B13R1.577 CCCOc1cnc(c(c1)C)SC 045369049d89480f284b1c04672ee83a [0,2,0,0,0,0|1,1,0]=4 3268 B13R1.577 CCCOc1cnc(c(c1)Cl)OC 6b470d7e1cdca37a4c76c436cdc7dddb [0,2,0,0,0,0|1,0,0]=3 3269 B13R1.577 CCCOc1cnc(c(c1)F)OC 0b654958aa27988bb11f3729f35563c6 [0,2,0,0,0,0|1,0,0]=3 3270 B13R1.577 CCNCc1ccc(c(c1)C)OC 5f6c5c5bd3a1105d4133df02438e733e [0,2,0,0,0,0|0,0,0]=2 3271 B13R1.577 CCNCc1ccc(c(c1)Cl)OC a373d345c70f9533db9cf8917350c6ee [0,2,0,0,0,0|0,0,0]=2 3272 B13R1.577 CCNCc1ccc(c(c1)F)C#N f42094dca5721cdb852fcb2f6c50de6b [0,2,0,0,0,0|2,0,0]=4 3273 B13R1.577 CCNCc1ccc(c(c1)F)CO 090a6571b4dd42d58f9035c847001c7b [0,2,0,0,0,0|2,0,0]=4 3274 B13R1.577 CCNCc1ccc(c(c1)F)OC f83dae84f1ce55a773f6e8305191efa9 [0,2,0,0,0,0|0,0,0]=2 3275 B13R1.577 CCNCc1cnc(c(c1)Cl)OC cc3ba2e20d39cabb2b395805e76ea8cc [0,2,0,0,0,0|1,0,0]=3 3276 B13R1.577 CCNCc1cnc(c(c1)F)OC fd0c1e653b03806726304a68262e29a8 [0,2,0,0,0,0|1,0,0]=3 3277 B13R1.577 CCOCc1cc(=O)c(c[nH]1)OC fbfcfb8f0ad44377aee3123749cdd678 [0,2,0,0,0,0|1,0,0]=3 3278 B13R1.577 CCOCc1cc(=O)c(co1)OC 909a9087699511d7a9bc69d351c8dc01 [0,2,0,0,0,0|1,0,0]=3 3279 B13R1.577 CCOCc1cc(c(cn1)OC)Br 5a9b826a4a81ca13a7eaa2ba6aa47297 [0,2,0,0,0,0|1,0,0]=3 3280 B13R1.577 CCOCc1ccc(c(c1)Br)C#N 1571fa42724c68ad9a00eb743296cbca [0,2,0,0,0,0|2,0,0]=4 3281 B13R1.577 CCOCc1ccc(c(c1)Br)C=O 7dca1a07ecc4cc9357644d657c85b60e [0,2,0,0,0,0|2,0,0]=4 3282 B13R1.577 CCOCc1ccc(c(c1)Br)OC 1b865a83bc90f1b7c3d1f37334df8003 [0,2,0,0,0,0|0,0,0]=2 3283 B13R1.577 CCOCc1ccc(c(c1)C)C=O 108c14b2ceee715210f8e97aa7125537 [0,2,0,0,0,0|2,0,0]=4 3284 B13R1.577 CCOCc1ccc(c(c1)C)OC e451e8789f89ceeaefafa832417bab46 [0,2,0,0,0,0|0,0,0]=2 3285 B13R1.577 CCOCc1ccc(c(c1)Cl)C#N 5b83c17488b094c02c707a1e24658cdf [0,2,0,0,0,0|2,0,0]=4 3286 B13R1.577 CCOCc1ccc(c(c1)Cl)OC 77f2ab94d283f32f2e04321b42c1bbf5 [0,2,0,0,0,0|0,0,0]=2 3287 B13R1.577 CCOCc1ccc(c(c1)F)C#N 0caf7454a200c946ea7025252db245c3 [0,2,0,0,0,0|2,0,0]=4 3288 B13R1.577 CCOCc1ccc(c(c1)F)OC ad24e10d5be9d228e4e07066ec91544c [0,2,0,0,0,0|0,0,0]=2 3289 B13R1.577 CCOCc1ccc(c(c1)F)SC 4d7b3598b04edc43b71b778aa4008905 [0,2,0,0,0,0|0,1,0]=3 3290 B13R1.577 CCOCc1ccc(c(c1)I)OC ffbfd24f0245d93d6ef7e4785e44d779 [0,2,0,0,0,0|0,0,0]=2 3291 B13R1.577 CCOCc1ccc(c(n1)Cl)OC d858f5b3167492dd841e6d3424500af0 [0,2,0,0,0,0|1,0,0]=3 3292 B13R1.577 CCOCc1cnc(c(c1)Br)OC d7b22f3447bd36d380190aaa87135448 [0,2,0,0,0,0|1,0,0]=3 3293 B13R1.577 CCOCc1cnc(c(c1)C)OC 5ab8dc4d902783b67acf87397b75a524 [0,2,0,0,0,0|1,0,0]=3 3294 B13R1.577 CCOCc1cnc(c(c1)C)SC 42400cccd3f8931548902d711f6aa6a1 [0,2,0,0,0,0|1,1,0]=4 3295 B13R1.577 CCOCc1cnc(c(c1)Cl)OC 8741b19e358dc4473e519d1b9d4b84df [0,2,0,0,0,0|1,0,0]=3 3296 B13R1.577 CCOCc1cnc(c(c1)F)OC 2cc72ab765578a6ab9f8b061cd3ea3fc [0,2,0,0,0,0|1,0,0]=3 3297 B13R1.577 CCc1ccc(cc1Br)NCCF 570d68a3893d412809031c50e88a5182 [0,2,0,0,0,0|2,0,0]=4 3298 B13R1.577 CCc1ccc(cc1Br)NCCO 4432a1a5b8425d537c2e56ca0fa62cca [0,2,0,0,0,0|2,0,0]=4 3299 B13R1.577 CCc1ccc(cc1Br)NCOC 91b5fe8b3b557a4302d4e5ca4c3c0ef0 [0,2,0,0,0,0|2,0,0]=4 3300 B13R1.577 CCc1ccc(cc1Br)OCCF 7c8f59b19b06f0081234299cb3004f61 [0,2,0,0,0,0|2,0,0]=4 3301 B13R1.577 CCc1ccc(cc1Br)OCCS ddc8da6c8d4a82e23a7ce75a7e654c81 [0,2,0,0,0,0|2,0,0]=4 3302 B13R1.577 CCc1ccc(cc1Br)OCOC 99efc23c476e3eb29d6bc46a4566ec4c [0,2,0,0,0,0|2,0,0]=4 3303 B13R1.577 CCc1ccc(cc1Br)OCSC 52b081ab78b0a824c20d767f08f0d171 [0,2,0,0,0,0|2,0,0]=4 3304 B13R1.577 CCc1ccc(cc1C)NCCS a8bc9aecea31e39a94594c3cdc2bdc4e [0,2,0,0,0,0|2,0,0]=4 3305 B13R1.577 CCc1ccc(cc1Cl)NCCF 99916935c0c47bf53fbc3fe75d4fb111 [0,2,0,0,0,0|2,0,0]=4 3306 B13R1.577 CCc1ccc(cc1Cl)NCCO 3886a02240a4ce4f01c361f097717532 [0,2,0,0,0,0|2,0,0]=4 3307 B13R1.577 CCc1ccc(cc1Cl)NCCS c9f442bc6663b151d9842ccec1342b90 [0,2,0,0,0,0|2,0,0]=4 3308 B13R1.577 CCc1ccc(cc1Cl)NCOC 3c88d884c595849ee35bcfe33aad964e [0,2,0,0,0,0|2,0,0]=4 3309 B13R1.577 CCc1ccc(cc1Cl)NCSC 0537aec19711e3d004d9935c79a9b1cd [0,2,0,0,0,0|2,0,0]=4 3310 B13R1.577 CCc1ccc(cc1Cl)OCCF 7b3d8d0107a5b6daaeeb4d49ade8895d [0,2,0,0,0,0|2,0,0]=4 3311 B13R1.577 CCc1ccc(cc1Cl)OCCS 9ab2f8c3ab31096fa2c8ca24d33da886 [0,2,0,0,0,0|2,0,0]=4 3312 B13R1.577 CCc1ccc(cc1Cl)OCOC c8eae77c5de74e39f46b07679700a732 [0,2,0,0,0,0|2,0,0]=4 3313 B13R1.577 CCc1ccc(cc1Cl)OCSC b525c7c516b849efac1d6a3b7965b5c9 [0,2,0,0,0,0|2,0,0]=4 3314 B13R1.577 CCc1ccc(cc1F)NCCBr f4e763ba5855d518a0c6ab816310bff8 [0,2,0,0,0,0|2,0,0]=4 3315 B13R1.577 CCc1ccc(cc1F)NCCF 2c1fec3a137a2545bd65d4086be91739 [0,2,0,0,0,0|2,0,0]=4 3316 B13R1.577 CCc1ccc(cc1F)NCCI aea68c142e46f97a6b75e7c1a97c0d06 [0,2,0,0,0,0|2,0,0]=4 3317 B13R1.577 CCc1ccc(cc1F)NCCO 59eb9e7d84b7c48369b18010a445ba19 [0,2,0,0,0,0|2,0,0]=4 3318 B13R1.577 CCc1ccc(cc1F)NCCS 83657f876bf909f02a070eba3cf14ac2 [0,2,0,0,0,0|2,0,0]=4 3319 B13R1.577 CCc1ccc(cc1F)OCCF 4e8e03d5f7d6b8e5c0eb4fc52e03e83f [0,2,0,0,0,0|2,0,0]=4 3320 B13R1.577 CCc1ccc(cc1F)OCCS 69a00cddeb5e4058ef4775644fd70648 [0,2,0,0,0,0|2,0,0]=4 3321 B13R1.577 CCc1ccc(cc1F)OCOC 68c7608d8c75cc614a09046af535cfc8 [0,2,0,0,0,0|2,0,0]=4 3322 B13R1.577 CCc1ccc(cc1F)OCSC 574c1b06194a04413f50fdca2c4c5701 [0,2,0,0,0,0|2,0,0]=4 3323 B13R1.577 CCc1ccc(cc1O)NCCS bcfdd607a975305f7ecca2e0b45ca7f9 [0,2,0,0,0,0|2,0,0]=4 3324 B13R1.577 CNc1ccc(cc1N)NCCBr a7460d901f9df87f2408d7be34530811 [0,2,0,0,0,0|2,0,0]=4 3325 B13R1.577 CNc1ccc(cc1N)NCCO 9315b81f0ded4cfbdc6a0bc35b3a180f [0,2,0,0,0,0|2,0,0]=4 3326 B13R1.577 COCNc1cc(c(cn1)OC)C 29616b250ec21447d2f776a4b67608ee [0,2,0,0,0,0|2,0,0]=4 3327 B13R1.577 COCNc1cc(c(cn1)OC)Cl 5322e0dbc5034713f846113d38b55327 [0,2,0,0,0,0|2,0,0]=4 3328 B13R1.577 COCNc1cc(c(cn1)OC)F bc1c19c74658501708d01c86f9ab3931 [0,2,0,0,0,0|2,0,0]=4 3329 B13R1.577 COCNc1ccc(c(c1)Br)OC 7a0fffa9da4b0d5417fd5a43107b539e [0,2,0,0,0,0|1,0,0]=3 3330 B13R1.577 COCNc1ccc(c(c1)C)OC 5a7cff53811af6d2c6f41e75eb939631 [0,2,0,0,0,0|1,0,0]=3 3331 B13R1.577 COCNc1ccc(c(c1)Cl)OC 0d66e2b08bd6b03748c5e5960803d8ae [0,2,0,0,0,0|1,0,0]=3 3332 B13R1.577 COCNc1ccc(c(c1)Cl)SC 9f6b4d73e11bde478ba2555fa58a0ff1 [0,2,0,0,0,0|1,1,0]=4 3333 B13R1.577 COCNc1ccc(c(c1)F)OC 63ee8073ab07929b2099aa334ce411db [0,2,0,0,0,0|1,0,0]=3 3334 B13R1.577 COCNc1ccc(c(c1)F)SC 67cb74d0dcb5bbdf4186021b11af6390 [0,2,0,0,0,0|1,1,0]=4 3335 B13R1.577 COCNc1ccc(c(c1)I)OC d40f18997c5cc2f73204f11196a4a728 [0,2,0,0,0,0|1,0,0]=3 3336 B13R1.577 COCNc1ccc(c(n1)Br)OC 77893fd537418663687010426adcd614 [0,2,0,0,0,0|2,0,0]=4 3337 B13R1.577 COCNc1ccc(c(n1)C)OC 221de1e807aaa4da7cbf3aef5f46f233 [0,2,0,0,0,0|2,0,0]=4 3338 B13R1.577 COCNc1ccc(c(n1)Cl)OC fd27c276b4df0f2c3c2b21a3a0b75280 [0,2,0,0,0,0|2,0,0]=4 3339 B13R1.577 COCNc1cnc(c(c1)Br)OC 7e055c10a668225194fc776d3801e31e [0,2,0,0,0,0|2,0,0]=4 3340 B13R1.577 COCNc1cnc(c(c1)C)OC 477635a266ddb56aaa1135f02c8022de [0,2,0,0,0,0|2,0,0]=4 3341 B13R1.577 COCNc1cnc(c(c1)Cl)OC 0a7147e7bfd833170e30de8490ce2cc3 [0,2,0,0,0,0|2,0,0]=4 3342 B13R1.577 COCNc1cnc(c(c1)F)OC 49940fb94de4c989c65fabd080494995 [0,2,0,0,0,0|2,0,0]=4 3343 B13R1.577 COCOc1ccc(c(c1)Br)OC c2ca36be748592ae197df31e5484c866 [0,2,0,0,0,0|1,0,0]=3 3344 B13R1.577 COCOc1ccc(c(c1)C)OC c978d83b9106732fc2f2d2cc097bf6b4 [0,2,0,0,0,0|1,0,0]=3 3345 B13R1.577 COCOc1ccc(c(c1)C)SC 830eee1455a6d4c6dc7ccda362cf85a1 [0,2,0,0,0,0|1,1,0]=4 3346 B13R1.577 COCOc1ccc(c(c1)Cl)OC 7e137e77d0bd88519bd414ce3e7da718 [0,2,0,0,0,0|1,0,0]=3 3347 B13R1.577 COCOc1ccc(c(c1)Cl)SC 04272316cd860f9709f1355c74e26d39 [0,2,0,0,0,0|1,1,0]=4 3348 B13R1.577 COCOc1ccc(c(c1)F)OC 117e79f909a827d8b5fbc92ace12f365 [0,2,0,0,0,0|1,0,0]=3 3349 B13R1.577 COCOc1ccc(c(c1)F)SC 0bcf211e77594d682f0eb5b60f9e0d61 [0,2,0,0,0,0|1,1,0]=4 3350 B13R1.577 COCOc1ccc(c(c1)I)OC a08b7b8df0c263afe9cb4ac30343eac2 [0,2,0,0,0,0|1,0,0]=3 3351 B13R1.577 COCOc1cnc(c(c1)Br)OC 63b600a64d197590170648c6ca6834a5 [0,2,0,0,0,0|2,0,0]=4 3352 B13R1.577 COCOc1cnc(c(c1)C)OC ad56f696deae63dde9b449db15d78551 [0,2,0,0,0,0|2,0,0]=4 3353 B13R1.577 COCOc1cnc(c(c1)Cl)OC 5b8a3d027ea1c463da83f6ade35400d3 [0,2,0,0,0,0|2,0,0]=4 3354 B13R1.577 COCOc1cnc(c(c1)F)OC de90decff3417d0225c72780e3fe3d2b [0,2,0,0,0,0|2,0,0]=4 3355 B13R1.577 COc1c[nH]c(cc1=O)COCF 6d2e2e7fed3b9eccde02dbfab748612a [0,2,0,0,0,0|2,0,0]=4 3356 B13R1.577 COc1ccc(cc1Br)CNC#N d68c5c7354732a51556834dbde3ce2e3 [0,2,0,0,0,0|1,0,1]=4 3357 B13R1.577 COc1ccc(cc1Br)COCF 1c86bdf7a42d007c45b67cb737e54683 [0,2,0,0,0,0|1,0,0]=3 3358 B13R1.577 COc1ccc(cc1Br)NCC#N 0afdd9c3cb7356c528eeab550c4623ce [0,2,0,0,0,0|1,0,1]=4 3359 B13R1.577 COc1ccc(cc1Br)NCC=O a42557fd628e58cacfce6b92edea031a [0,2,0,0,0,0|1,0,1]=4 3360 B13R1.577 COc1ccc(cc1Br)NCCF 31a2666b40089f4ba9617a362c441c75 [0,2,0,0,0,0|1,0,0]=3 3361 B13R1.577 COc1ccc(cc1Br)NCCO ed1402919e267840e68c0e53e08c99b9 [0,2,0,0,0,0|1,0,0]=3 3362 B13R1.577 COc1ccc(cc1Br)NCCS b4ca7f53ab27f926f1e75fc1f083af60 [0,2,0,0,0,0|1,0,0]=3 3363 B13R1.577 COc1ccc(cc1Br)NCSC dc5769db7d5a3eb68c4fd9583e6fc824 [0,2,0,0,0,0|1,0,0]=3 3364 B13R1.577 COc1ccc(cc1Br)OCC#N 60b4bec165b3d11a531be99e9c0364d8 [0,2,0,0,0,0|1,0,1]=4 3365 B13R1.577 COc1ccc(cc1Br)OCC=O b23ff75285f0d6cc1c1b3df1f37edafc [0,2,0,0,0,0|1,0,1]=4 3366 B13R1.577 COc1ccc(cc1Br)OCCF c34a893a2c323f7f67dc53119da6200a [0,2,0,0,0,0|1,0,0]=3 3367 B13R1.577 COc1ccc(cc1Br)OCCS fba1925075495afb58d71cfdf800e572 [0,2,0,0,0,0|1,0,0]=3 3368 B13R1.577 COc1ccc(cc1Br)OCSC 2798bbd8f45abb10f7edf5f63c6a46a4 [0,2,0,0,0,0|1,0,0]=3 3369 B13R1.577 COc1ccc(cc1C)CNC#N e45f513c076223ebdde4fef54eb23db0 [0,2,0,0,0,0|1,0,1]=4 3370 B13R1.577 COc1ccc(cc1C)CNC=O 58960a741829fd1c50ae22ba4b23a3fb [0,2,0,0,0,0|1,0,1]=4 3371 B13R1.577 COc1ccc(cc1C)CNCF d2d2161542ca0707c540125fe60802ba [0,2,0,0,0,0|1,0,0]=3 3372 B13R1.577 COc1ccc(cc1C)CNCO 1c41bf75a35959d477f7c82616c3c440 [0,2,0,0,0,0|1,0,0]=3 3373 B13R1.577 COc1ccc(cc1C)COCF 7525aa42937a59aaa1af962913ce0483 [0,2,0,0,0,0|1,0,0]=3 3374 B13R1.577 COc1ccc(cc1C)NCC#N 395850707795b72083e86210f4150e16 [0,2,0,0,0,0|1,0,1]=4 3375 B13R1.577 COc1ccc(cc1C)NCC=O 5758c975141a1db7a2b595938014da17 [0,2,0,0,0,0|1,0,1]=4 3376 B13R1.577 COc1ccc(cc1C)NCCF 28b33bfa69d7fd3f85e3265bea02406a [0,2,0,0,0,0|1,0,0]=3 3377 B13R1.577 COc1ccc(cc1C)NCCO be4c852bc4a7a6d0bc09c62dbcc8f38a [0,2,0,0,0,0|1,0,0]=3 3378 B13R1.577 COc1ccc(cc1C)NCCS 48f87c7489b09e5ddd4c3a381e0a8bb6 [0,2,0,0,0,0|1,0,0]=3 3379 B13R1.577 COc1ccc(cc1C)NCSC 84fecb5c4acc4b7c8ea5d494fa694e01 [0,2,0,0,0,0|1,0,0]=3 3380 B13R1.577 COc1ccc(cc1C)OCC#N 29d935fbf1c2b9fbc28127d7fc773e9a [0,2,0,0,0,0|1,0,1]=4 3381 B13R1.577 COc1ccc(cc1C)OCC=O baacbc274a1bf0b28eb85034b5ea5c93 [0,2,0,0,0,0|1,0,1]=4 3382 B13R1.577 COc1ccc(cc1C)OCCF c0e9f15a7e22a6e284b0a9e30a48c31a [0,2,0,0,0,0|1,0,0]=3 3383 B13R1.577 COc1ccc(cc1C)OCCS 117237df570a62b2336c6b8055eb6b64 [0,2,0,0,0,0|1,0,0]=3 3384 B13R1.577 COc1ccc(cc1C)OCSC a1e2cb5c35c1c1b8fda2a065628a9ff3 [0,2,0,0,0,0|1,0,0]=3 3385 B13R1.577 COc1ccc(cc1Cl)CNC#N 814f0bacdf953e8ead34e1eaacf9ff51 [0,2,0,0,0,0|1,0,1]=4 3386 B13R1.577 COc1ccc(cc1Cl)CNC=O 213c4294f4c5a4235b02824bd33df934 [0,2,0,0,0,0|1,0,1]=4 3387 B13R1.577 COc1ccc(cc1Cl)CNCF 72979115aa3b004d141d9b4cf8fd18d5 [0,2,0,0,0,0|1,0,0]=3 3388 B13R1.577 COc1ccc(cc1Cl)CNCO 07655471dfd482e0b2a801bc1d88ea17 [0,2,0,0,0,0|1,0,0]=3 3389 B13R1.577 COc1ccc(cc1Cl)COCF 3e55a82a8d668dd81f2b919a3b57ee13 [0,2,0,0,0,0|1,0,0]=3 3390 B13R1.577 COc1ccc(cc1Cl)NCC#N e805a9504fabca30e91ced8cfdb93e07 [0,2,0,0,0,0|1,0,1]=4 3391 B13R1.577 COc1ccc(cc1Cl)NCC=O cb3b6d015826554886806e63c30e684f [0,2,0,0,0,0|1,0,1]=4 3392 B13R1.577 COc1ccc(cc1Cl)NCCF e537863e2a12f25ddc884fa50dc6c3f1 [0,2,0,0,0,0|1,0,0]=3 3393 B13R1.577 COc1ccc(cc1Cl)NCCO dca05db98259635715dbb69f7b231869 [0,2,0,0,0,0|1,0,0]=3 3394 B13R1.577 COc1ccc(cc1Cl)NCCS 7c1e3028f3eebed8d7aab69bd527d598 [0,2,0,0,0,0|1,0,0]=3 3395 B13R1.577 COc1ccc(cc1Cl)NCSC 080d05ef98fe1f8f29e028d6541c2136 [0,2,0,0,0,0|1,0,0]=3 3396 B13R1.577 COc1ccc(cc1Cl)OCC#N 8175afa390383a391a72f1f54f0d2b7c [0,2,0,0,0,0|1,0,1]=4 3397 B13R1.577 COc1ccc(cc1Cl)OCC=O 4cc63597a81a777574385d91edd8ef3b [0,2,0,0,0,0|1,0,1]=4 3398 B13R1.577 COc1ccc(cc1Cl)OCCF 9dfda5d8c7f2a7f31c60dfbbe1175f03 [0,2,0,0,0,0|1,0,0]=3 3399 B13R1.577 COc1ccc(cc1Cl)OCCS 7cae99def2d799c89a31841c847d202b [0,2,0,0,0,0|1,0,0]=3 3400 B13R1.577 COc1ccc(cc1Cl)OCSC 03112b84b0159fececc9a20bdffb2d5d [0,2,0,0,0,0|1,0,0]=3 3401 B13R1.577 COc1ccc(cc1F)CNC#N 0768ce21917fb86f0ca8718944253786 [0,2,0,0,0,0|1,0,1]=4 3402 B13R1.577 COc1ccc(cc1F)CNC=O 79a1642dc36152c0d7ebbe38d2e4d34a [0,2,0,0,0,0|1,0,1]=4 3403 B13R1.577 COc1ccc(cc1F)CNCF f030059b5c6abd65dc6bc78a4af1fd05 [0,2,0,0,0,0|1,0,0]=3 3404 B13R1.577 COc1ccc(cc1F)CNCO ac47c2aff812b90a87281cd7af095fb5 [0,2,0,0,0,0|1,0,0]=3 3405 B13R1.577 COc1ccc(cc1F)COCF 2b49e206bac34b9b44fd14d0b3b59fd4 [0,2,0,0,0,0|1,0,0]=3 3406 B13R1.577 COc1ccc(cc1F)NCC#N 6b75c6eb720a0ebfdf4054d1d3b6c677 [0,2,0,0,0,0|1,0,1]=4 3407 B13R1.577 COc1ccc(cc1F)NCC=O aa1c7fde2d2b04992ee6fa4df47b37b8 [0,2,0,0,0,0|1,0,1]=4 3408 B13R1.577 COc1ccc(cc1F)NCCF aed3991162707cde85064842d1d15c39 [0,2,0,0,0,0|1,0,0]=3 3409 B13R1.577 COc1ccc(cc1F)NCCO 50b167af34f229c4bf0d5f62aca72c57 [0,2,0,0,0,0|1,0,0]=3 3410 B13R1.577 COc1ccc(cc1F)NCCS c03f1071516a980e2fae1745eea819fd [0,2,0,0,0,0|1,0,0]=3 3411 B13R1.577 COc1ccc(cc1F)NCSC fe5d22e1ca5b3cd8490bd06611a08e71 [0,2,0,0,0,0|1,0,0]=3 3412 B13R1.577 COc1ccc(cc1F)OCC#N 00a020b7b0963f05676a1557b8aba811 [0,2,0,0,0,0|1,0,1]=4 3413 B13R1.577 COc1ccc(cc1F)OCC=O 4501115b7eaad93bed246027552dbf3f [0,2,0,0,0,0|1,0,1]=4 3414 B13R1.577 COc1ccc(cc1F)OCCF 8907a4d29721aee5ae6b75ec1084f22b [0,2,0,0,0,0|1,0,0]=3 3415 B13R1.577 COc1ccc(cc1F)OCCS 4499ff46c33968e56fa07742b4a01b2b [0,2,0,0,0,0|1,0,0]=3 3416 B13R1.577 COc1ccc(cc1F)OCSC 5216f71f7f60dd082d22b62c00974113 [0,2,0,0,0,0|1,0,0]=3 3417 B13R1.577 COc1ccc(cc1I)COCF d64dcee466ba4b19243d555d2fabf94d [0,2,0,0,0,0|1,0,0]=3 3418 B13R1.577 COc1ccc(cc1I)NCC#N 32dd513a4113af58809cc50c1ee83b9f [0,2,0,0,0,0|1,0,1]=4 3419 B13R1.577 COc1ccc(cc1I)NCC=O f80ce08ad55c73beed1482de37724a2a [0,2,0,0,0,0|1,0,1]=4 3420 B13R1.577 COc1ccc(cc1I)NCCF 2dcf1d64d3e7785272318405d3d81333 [0,2,0,0,0,0|1,0,0]=3 3421 B13R1.577 COc1ccc(cc1I)NCCO 602707ae1b3dc124469d053fdbf30d59 [0,2,0,0,0,0|1,0,0]=3 3422 B13R1.577 COc1ccc(cc1I)NCCS 5db046b166fa1de4c96c84764d95bbfb [0,2,0,0,0,0|1,0,0]=3 3423 B13R1.577 COc1ccc(cc1I)NCSC fde13352ce5afee491d311142e3a01ae [0,2,0,0,0,0|1,0,0]=3 3424 B13R1.577 COc1ccc(cc1I)OCC#N 9e18dd839ff03f66c4225a74cda7b613 [0,2,0,0,0,0|1,0,1]=4 3425 B13R1.577 COc1ccc(cc1I)OCC=O 24374c08dc2852549330095877b98027 [0,2,0,0,0,0|1,0,1]=4 3426 B13R1.577 COc1ccc(cc1I)OCCF 3394080fcd0a3eca5be84c5b61976704 [0,2,0,0,0,0|1,0,0]=3 3427 B13R1.577 COc1ccc(cc1I)OCCS 1a264504bfa75a4bc0fc65f2b01e7a30 [0,2,0,0,0,0|1,0,0]=3 3428 B13R1.577 COc1ccc(cc1I)OCSC 9192e3f5a736f687d0c12bafec233be3 [0,2,0,0,0,0|1,0,0]=3 3429 B13R1.577 COc1ccc(cc1O)CNC=O de0df5d6557c79d14f88b9e442e95959 [0,2,0,0,0,0|1,0,1]=4 3430 B13R1.577 COc1ccc(nc1Br)COCF 5a78e9d3250d079aca4ff49558ee0d36 [0,2,0,0,0,0|2,0,0]=4 3431 B13R1.577 COc1ccc(nc1Br)NCCF 3187b7683870881b8948dcfd8de08e9b [0,2,0,0,0,0|2,0,0]=4 3432 B13R1.577 COc1ccc(nc1Br)NCCO 9b1ccd1b1a4d0a67250d8313b83e610e [0,2,0,0,0,0|2,0,0]=4 3433 B13R1.577 COc1ccc(nc1Br)NCCS e57218bdfe6f0d492b3ac1c5a01a6ed8 [0,2,0,0,0,0|2,0,0]=4 3434 B13R1.577 COc1ccc(nc1Br)NCSC c3a14373b88bfac651ba9bb3fef9a1a1 [0,2,0,0,0,0|2,0,0]=4 3435 B13R1.577 COc1ccc(nc1C)NCCF c18a088b554c7a1d4083921575074ac3 [0,2,0,0,0,0|2,0,0]=4 3436 B13R1.577 COc1ccc(nc1C)NCCO 9408d408b0670549a9fba7b0017d316a [0,2,0,0,0,0|2,0,0]=4 3437 B13R1.577 COc1ccc(nc1C)NCCS bee533a7ecfc074258662c48c6c7d365 [0,2,0,0,0,0|2,0,0]=4 3438 B13R1.577 COc1ccc(nc1C)NCSC 2bb6947ed89ee3aa42a3a62ec69e8c30 [0,2,0,0,0,0|2,0,0]=4 3439 B13R1.577 COc1ccc(nc1Cl)COCF b28ea745cd57d84c283231f7305f44ea [0,2,0,0,0,0|2,0,0]=4 3440 B13R1.577 COc1ccc(nc1Cl)NCCF a2fe6e10557007446c054fbbf1c105e4 [0,2,0,0,0,0|2,0,0]=4 3441 B13R1.577 COc1ccc(nc1Cl)NCCO 1c91f3b6f5b8e49b78045bf49b45a253 [0,2,0,0,0,0|2,0,0]=4 3442 B13R1.577 COc1ccc(nc1Cl)NCCS f92a31825b7c01d7ab1f66e7c7f71087 [0,2,0,0,0,0|2,0,0]=4 3443 B13R1.577 COc1ccc(nc1Cl)NCSC b9ae31d79fe5988867feb2fb8c60cb12 [0,2,0,0,0,0|2,0,0]=4 3444 B13R1.577 COc1cnc(cc1Br)COCF a42f834dedbffa55f3e3c01371132173 [0,2,0,0,0,0|2,0,0]=4 3445 B13R1.577 COc1cnc(cc1C)NCCF db30a9eed534f397b27ac0eceb650758 [0,2,0,0,0,0|2,0,0]=4 3446 B13R1.577 COc1cnc(cc1C)NCCO 6bdbddde40b10dca2f9343e489e7009a [0,2,0,0,0,0|2,0,0]=4 3447 B13R1.577 COc1cnc(cc1C)NCCS 8806f547ecd0f8bc6bd00c5a71416279 [0,2,0,0,0,0|2,0,0]=4 3448 B13R1.577 COc1cnc(cc1Cl)NCCF 65975b6ee5bdc6e9b38ffaddca300457 [0,2,0,0,0,0|2,0,0]=4 3449 B13R1.577 COc1cnc(cc1Cl)NCCO b0eb08a524a025e4e73e7c7c3d68eff6 [0,2,0,0,0,0|2,0,0]=4 3450 B13R1.577 COc1cnc(cc1Cl)NCCS a9678a469ba1ed76b752827d87d7e144 [0,2,0,0,0,0|2,0,0]=4 3451 B13R1.577 COc1cnc(cc1Cl)NCSC 6c33ac3f6a2122f13a1e00af4cd36254 [0,2,0,0,0,0|2,0,0]=4 3452 B13R1.577 COc1cnc(cc1F)NCCF 85770a6f92f17600140771ce34df8ec2 [0,2,0,0,0,0|2,0,0]=4 3453 B13R1.577 COc1cnc(cc1F)NCCO 6b8564fe2c4324e788c2808981d1067a [0,2,0,0,0,0|2,0,0]=4 3454 B13R1.577 COc1cnc(cc1F)NCCS 6b31ffd1688427717fb846a059c613e3 [0,2,0,0,0,0|2,0,0]=4 3455 B13R1.577 COc1cnc(cc1F)NCSC eabfcd201141b0338fb64929d01c200f [0,2,0,0,0,0|2,0,0]=4 3456 B13R1.577 COc1coc(cc1=O)COCF ba4a7cf2c00f811c8ea56fbfa9ef28f4 [0,2,0,0,0,0|2,0,0]=4 3457 B13R1.577 COc1ncc(cc1Br)COCF 154798640a485148925ee6fed979f5c9 [0,2,0,0,0,0|2,0,0]=4 3458 B13R1.577 COc1ncc(cc1Br)NCCF 0dea3228c0cf09051c1f36015336b37a [0,2,0,0,0,0|2,0,0]=4 3459 B13R1.577 COc1ncc(cc1Br)NCCO 4206f496ea8d43c1906cfd3dd04bae13 [0,2,0,0,0,0|2,0,0]=4 3460 B13R1.577 COc1ncc(cc1Br)NCCS da3558da2b6bbb7ba6d2fca1dfa3591a [0,2,0,0,0,0|2,0,0]=4 3461 B13R1.577 COc1ncc(cc1Br)NCSC 874f94c0667493f8c4bf22205670bf57 [0,2,0,0,0,0|2,0,0]=4 3462 B13R1.577 COc1ncc(cc1Br)OCCF e0d3ef9b977460c5a5e8d6cefa638d2e [0,2,0,0,0,0|2,0,0]=4 3463 B13R1.577 COc1ncc(cc1Br)OCCS 76583e80d995ae533f194110ed5f0289 [0,2,0,0,0,0|2,0,0]=4 3464 B13R1.577 COc1ncc(cc1Br)OCSC d02bdacdcffb80b70b8b2bc203336603 [0,2,0,0,0,0|2,0,0]=4 3465 B13R1.577 COc1ncc(cc1C)COCF 43e9611459af8c4bb396aca7f3209e4f [0,2,0,0,0,0|2,0,0]=4 3466 B13R1.577 COc1ncc(cc1C)NCCF 9b0f75ba3919b5a2327357ead505672a [0,2,0,0,0,0|2,0,0]=4 3467 B13R1.577 COc1ncc(cc1C)NCCO 6539635317a8ed26fd30c96397a22f0b [0,2,0,0,0,0|2,0,0]=4 3468 B13R1.577 COc1ncc(cc1C)NCCS 7b65eee11f7e09539ffbacde148742c1 [0,2,0,0,0,0|2,0,0]=4 3469 B13R1.577 COc1ncc(cc1C)NCSC 67af66201e38b2f2ad3cc31b60abee41 [0,2,0,0,0,0|2,0,0]=4 3470 B13R1.577 COc1ncc(cc1C)OCCF 805b9129743540359673fcc1a54f40ba [0,2,0,0,0,0|2,0,0]=4 3471 B13R1.577 COc1ncc(cc1C)OCCS 7d6c8b92a4e6ef66a142e730c2879f8d [0,2,0,0,0,0|2,0,0]=4 3472 B13R1.577 COc1ncc(cc1C)OCSC 93157b2c82ba8252b081279ef2975633 [0,2,0,0,0,0|2,0,0]=4 3473 B13R1.577 COc1ncc(cc1Cl)CNCF a93fef8ae94664e2b0fd1e6439b3be04 [0,2,0,0,0,0|2,0,0]=4 3474 B13R1.577 COc1ncc(cc1Cl)CNCO 101076a00ce3d8180acb32cef7b46707 [0,2,0,0,0,0|2,0,0]=4 3475 B13R1.577 COc1ncc(cc1Cl)COCF 289398a728727d47cf3842103628e385 [0,2,0,0,0,0|2,0,0]=4 3476 B13R1.577 COc1ncc(cc1Cl)NCCF db64c540571b079c9cb627111d364bcc [0,2,0,0,0,0|2,0,0]=4 3477 B13R1.577 COc1ncc(cc1Cl)NCCO 41fe3fdfa4204980821779ee3a2f115d [0,2,0,0,0,0|2,0,0]=4 3478 B13R1.577 COc1ncc(cc1Cl)NCCS cf93f8aff334adcbd76f262d0988e1bc [0,2,0,0,0,0|2,0,0]=4 3479 B13R1.577 COc1ncc(cc1Cl)NCSC 45cffe5a2f999906ff2eca9ad094acfe [0,2,0,0,0,0|2,0,0]=4 3480 B13R1.577 COc1ncc(cc1Cl)OCCF 48d5acdd1959ebf3d7c4ae1b359f4e2d [0,2,0,0,0,0|2,0,0]=4 3481 B13R1.577 COc1ncc(cc1Cl)OCCS 668c79c776968a3cc238371cc713ad6c [0,2,0,0,0,0|2,0,0]=4 3482 B13R1.577 COc1ncc(cc1Cl)OCSC fbd133a4e66be63d7023cd364b813a24 [0,2,0,0,0,0|2,0,0]=4 3483 B13R1.577 COc1ncc(cc1F)CNCF 4b16d5b56b0f65cd4e78b00c13dfaebc [0,2,0,0,0,0|2,0,0]=4 3484 B13R1.577 COc1ncc(cc1F)CNCO b2baa5f1e84b4284cc80f5af86c0108c [0,2,0,0,0,0|2,0,0]=4 3485 B13R1.577 COc1ncc(cc1F)COCF 90bd3cf86fb87940734da3f75531935c [0,2,0,0,0,0|2,0,0]=4 3486 B13R1.577 COc1ncc(cc1F)NCCF 8c8f5f284ec2927d07e8bcc6662782e6 [0,2,0,0,0,0|2,0,0]=4 3487 B13R1.577 COc1ncc(cc1F)NCCO 07d3f663318c261ba7a2d5cc8a4114ba [0,2,0,0,0,0|2,0,0]=4 3488 B13R1.577 COc1ncc(cc1F)NCCS ee9e2c1d46dbe65b0e2a7b92d01298d7 [0,2,0,0,0,0|2,0,0]=4 3489 B13R1.577 COc1ncc(cc1F)NCSC eeef9200e49ab7218c29a781fb3f22be [0,2,0,0,0,0|2,0,0]=4 3490 B13R1.577 COc1ncc(cc1F)OCCF b62d28ba8537d408ab06911bd4f5e392 [0,2,0,0,0,0|2,0,0]=4 3491 B13R1.577 COc1ncc(cc1F)OCCS 34e1120b14693e0693a8b5e8a164a221 [0,2,0,0,0,0|2,0,0]=4 3492 B13R1.577 COc1ncc(cc1F)OCSC 8f97bac74e7ec09173b99898f9a8c0f8 [0,2,0,0,0,0|2,0,0]=4 3493 B13R1.577 CSCNc1ccc(c(c1)Cl)SC 6f2d3798116f1466933b325ca8ed1715 [0,2,0,0,0,0|1,1,0]=4 3494 B13R1.577 CSCNc1ccc(c(c1)F)SC 26efd03096c8623e81e55ffec808e2d7 [0,2,0,0,0,0|1,1,0]=4 3495 B13R1.577 CSCOc1ccc(c(c1)C)SC 76b247f8e10f6a5fa92355b25839cceb [0,2,0,0,0,0|1,1,0]=4 3496 B13R1.577 CSCOc1ccc(c(c1)Cl)SC 2440bf6b212ce3140fd4dd2defb7d6ba [0,2,0,0,0,0|1,1,0]=4 3497 B13R1.577 CSCOc1ccc(c(c1)F)SC 39552153ac324616ea593b038f175b81 [0,2,0,0,0,0|1,1,0]=4 3498 B13R1.577 CSc1ccc(cc1C)NCCO e9c7c96926e42d5ab2ff1625b8f369cd [0,2,0,0,0,0|1,1,0]=4 3499 B13R1.577 CSc1ccc(cc1C)NCCS 25c3a5903e765f5055d40a40e4cc878c [0,2,0,0,0,0|1,1,0]=4 3500 B13R1.577 CSc1ccc(cc1C)OCCF 54ee351f5217cdd604cbdd7d2593e176 [0,2,0,0,0,0|1,1,0]=4 3501 B13R1.577 CSc1ccc(cc1C)OCCS db821a1d19495115ad48185eeeff017a [0,2,0,0,0,0|1,1,0]=4 3502 B13R1.577 CSc1ccc(cc1Cl)NCCF eac3930ca97c5840bc4f01b933ee16cf [0,2,0,0,0,0|1,1,0]=4 3503 B13R1.577 CSc1ccc(cc1Cl)NCCO 50fef26a5410f61f52f7108a117e2b72 [0,2,0,0,0,0|1,1,0]=4 3504 B13R1.577 CSc1ccc(cc1Cl)NCCS 03201929f5f7ed7cbea3563a2ef6d1f0 [0,2,0,0,0,0|1,1,0]=4 3505 B13R1.577 CSc1ccc(cc1Cl)OCCF 665155d5f152edb3748c81a88e759cde [0,2,0,0,0,0|1,1,0]=4 3506 B13R1.577 CSc1ccc(cc1Cl)OCCS d1d4f584813d57263eaa614ba9052c01 [0,2,0,0,0,0|1,1,0]=4 3507 B13R1.577 CSc1ccc(cc1F)COCF 2b267f105f07022592ce97624cbd660a [0,2,0,0,0,0|1,1,0]=4 3508 B13R1.577 CSc1ccc(cc1F)NCCBr 2714d0d0b2ce5dd10bdbbe311107a766 [0,2,0,0,0,0|1,1,0]=4 3509 B13R1.577 CSc1ccc(cc1F)NCCF 74368c96c96f4940a134a11b1b4a22c6 [0,2,0,0,0,0|1,1,0]=4 3510 B13R1.577 CSc1ccc(cc1F)NCCI dc20b5b15425618ba96c9225b8523fd2 [0,2,0,0,0,0|1,1,0]=4 3511 B13R1.577 CSc1ccc(cc1F)NCCO 06e00f64baac3674165629088027d24d [0,2,0,0,0,0|1,1,0]=4 3512 B13R1.577 CSc1ccc(cc1F)NCCS 967f1c1999858aa8b44f9b29524ccd0e [0,2,0,0,0,0|1,1,0]=4 3513 B13R1.577 CSc1ccc(cc1F)OCCF 02740812473110baddff4011b146b0e8 [0,2,0,0,0,0|1,1,0]=4 3514 B13R1.577 CSc1ccc(cc1F)OCCS 761dd9a80bd2f0a3095a7dbc288f5dc9 [0,2,0,0,0,0|1,1,0]=4 3515 B13R1.140 CCNc1ccc(cc1)C(C)(C)C bb72fcaa4ae3cf80d2347f66c074516e [0,2,0,0,0,0|2,0,0]=4 3516 B13R1.140 CCNc1ccc(cc1)S(=O)(=O)C 0c83d5cd87119024ca04835d5e5e77f5 [0,2,0,0,0,0|1,1,0]=4 3517 B13R1.140 CCOc1ccc(cc1)C(C)(C)C 218cf34fec20cb444f5f944bee2c7458 [0,2,0,0,0,0|2,0,0]=4 3518 B13R1.140 CCOc1ccc(cc1)C(C)(F)F fdab30d6e888fc5d79b486394e458e4c [0,2,0,0,0,0|2,0,0]=4 3519 B13R1.140 CCOc1ccc(cc1)S(=N)(=O)C d70db655677c3668a35da380035704e6 [0,2,0,0,0,0|1,1,0]=4 3520 B13R1.140 CCOc1ccc(cc1)S(=O)(=O)C c21e6bc041b69b216c4aac4be1e844d3 [0,2,0,0,0,0|1,1,0]=4 3521 B13R1.144 CCNc1ccc(cc1Br)C(=O)C 52d133c7816a1bcd2a4a51e78951c9dc [0,2,0,0,0,0|2,0,0]=4 3522 B13R1.144 CCNc1ccc(cc1C)C(=O)C 488465bd577fa8c5af674a02fcc7d5dc [0,2,0,0,0,0|2,0,0]=4 3523 B13R1.144 CCNc1ccc(cc1Cl)C(=O)C 8724bcc30878d54b0342562e675cb4c6 [0,2,0,0,0,0|2,0,0]=4 3524 B13R1.144 CCNc1ccc(cc1Cl)C(C)C 9d10d419d3f5ff01f37bb87145541858 [0,2,0,0,0,0|2,0,0]=4 3525 B13R1.144 CCNc1ccc(cc1F)C(=O)C 6d033e2fc3ba1a5975973d7d79abb752 [0,2,0,0,0,0|2,0,0]=4 3526 B13R1.144 CCNc1ccc(cc1I)C(=O)C 109e45e10f99347785cf1e5dc4cefaf3 [0,2,0,0,0,0|2,0,0]=4 3527 B13R1.144 CCNc1ccc(cc1I)C(C)C 4ca5eefdf09d9cc75db1c647eddae823 [0,2,0,0,0,0|2,0,0]=4 3528 B13R1.144 CCOc1ccc(cc1Br)C(=O)C 37366e69aa06d235551f196b333b87f6 [0,2,0,0,0,0|2,0,0]=4 3529 B13R1.144 CCOc1ccc(cc1C)C(=O)C 5ec93fa03e5772b5e7e31f41d61e9cc3 [0,2,0,0,0,0|2,0,0]=4 3530 B13R1.144 CCOc1ccc(cc1C)C(C)C d0ed0d8aefd209e078500109064030be [0,2,0,0,0,0|2,0,0]=4 3531 B13R1.144 CCOc1ccc(cc1Cl)C(=O)C 328e874f3726138f9f5741c6d63c62e1 [0,2,0,0,0,0|2,0,0]=4 3532 B13R1.144 CCOc1ccc(cc1Cl)C(C)C f6eaf194d22d0d089c85eeea964446f9 [0,2,0,0,0,0|2,0,0]=4 3533 B13R1.144 CCOc1ccc(cc1F)C(=O)C c4fd916d14407dcd7221571f18d86e7d [0,2,0,0,0,0|2,0,0]=4 3534 B13R1.144 CCOc1ccc(cc1I)C(=O)C 5fa21174a2bcc4284192ea1612413af8 [0,2,0,0,0,0|2,0,0]=4 3535 B13R1.385 CCNc1ccc(c(c1)Br)C(=O)C dfb1faf5d2bcd02e49d2b521b74a02ad [0,2,0,0,0,0|2,0,0]=4 3536 B13R1.385 CCNc1ccc(c(c1)Br)N(C)C f41f84851e24687b96646e6f670766a6 [0,2,0,0,0,0|2,0,0]=4 3537 B13R1.385 CCNc1ccc(c(c1)C)N(C)C 45331701082929b51fa362509bc0fac5 [0,2,0,0,0,0|2,0,0]=4 3538 B13R1.385 CCNc1ccc(c(c1)Cl)C(=O)C e6618ca881cecdb3563284234cbca2c4 [0,2,0,0,0,0|2,0,0]=4 3539 B13R1.385 CCNc1ccc(c(c1)Cl)N(C)C f25ac75ba3f400306e36301acfa0a8c0 [0,2,0,0,0,0|2,0,0]=4 3540 B13R1.385 CCNc1ccc(c(c1)F)C(=O)C c486860c438b28db29d54f392fefe6df [0,2,0,0,0,0|2,0,0]=4 3541 B13R1.385 CCNc1ccc(c(c1)F)C(C)C 34e961703cbbe04fc1fa85443c979da3 [0,2,0,0,0,0|2,0,0]=4 3542 B13R1.385 CCNc1ccc(c(c1)F)N(C)C 2e449939631a33e7e88c69153eaa161b [0,2,0,0,0,0|2,0,0]=4 3543 B13R1.385 CCOc1ccc(c(c1)Br)C(=O)C ca2a0d63b31af9df2d6905fa8623fdec [0,2,0,0,0,0|2,0,0]=4 3544 B13R1.385 CCOc1ccc(c(c1)C)C(=O)C 60c7fe0085581cce2ec5c907a42d063e [0,2,0,0,0,0|2,0,0]=4 3545 B13R1.385 CCOc1ccc(c(c1)C)C(C)C a32edf9d320edf0cb5c922f1eb20cba5 [0,2,0,0,0,0|2,0,0]=4 3546 B13R1.385 CCOc1ccc(c(c1)Cl)C(=O)C 3a9d97af6eac4fcb103ebf982142af36 [0,2,0,0,0,0|2,0,0]=4 3547 B13R1.385 CCOc1ccc(c(c1)F)C(=O)C 840acfbc16700abda3d55ad837d74103 [0,2,0,0,0,0|2,0,0]=4 3548 B13R1.388 CCCc1ccc(c(c1)Br)OCC 628c43ae6d56a6697b1b6d0446037ba9 [0,2,0,0,0,0|0,0,0]=2 3549 B13R1.388 CCCc1ccc(c(c1)Br)OCF a3718537927d0b8fe8a7c6d270f4bbb8 [0,2,0,0,0,0|0,0,0]=2 3550 B13R1.388 CCCc1ccc(c(c1)Cl)OCC 8666aa8f503b41ad5a8f60b63bbcecde [0,2,0,0,0,0|0,0,0]=2 3551 B13R1.388 CCCc1ccc(c(c1)Cl)OCF 2599377465adf0e18375134cb203e5de [0,2,0,0,0,0|0,0,0]=2 3552 B13R1.388 CCNc1ccc(c(c1)Br)OCC 5511331d08a59dcaf391a144c5ab9b98 [0,2,0,0,0,0|1,0,0]=3 3553 B13R1.388 CCNc1ccc(c(c1)C)OCC bdb946685d21a68991a0a757e99ee5ea [0,2,0,0,0,0|1,0,0]=3 3554 B13R1.388 CCNc1ccc(c(c1)Cl)OCC c5ae0fbf3421b18214f74c47ad342eac [0,2,0,0,0,0|1,0,0]=3 3555 B13R1.388 CCNc1ccc(c(c1)F)COC 984815c795025b572f85b88049567366 [0,2,0,0,0,0|1,0,0]=3 3556 B13R1.388 CCNc1ccc(c(c1)F)OCC 339ce857833518c0a4f5e9aeaed659cd [0,2,0,0,0,0|1,0,0]=3 3557 B13R1.388 CCNc1ccc(c(n1)C)OCC 2253e4e83bbf14098ce1b69143284ead [0,2,0,0,0,0|2,0,0]=4 3558 B13R1.388 CCNc1ccc(cc1Br)CCO c52852ac7137f93f67a34108ecf139af [0,2,0,0,0,0|2,0,0]=4 3559 B13R1.388 CCNc1ccc(cc1Br)OCC 1c97fa73b96d1b8b35c51c514f47eb2d [0,2,0,0,0,0|1,0,0]=3 3560 B13R1.388 CCNc1ccc(cc1C)OCC 14ceee83055d15149fb55871769f211b [0,2,0,0,0,0|1,0,0]=3 3561 B13R1.388 CCNc1ccc(cc1Cl)OCC 07f2d63a723a68f4c8c69371f4941e28 [0,2,0,0,0,0|1,0,0]=3 3562 B13R1.388 CCNc1ccc(cc1F)OCC 85b495d50d20e0b7ba0a98d60953f82a [0,2,0,0,0,0|1,0,0]=3 3563 B13R1.388 CCNc1cnc(c(c1)F)OCC ce7f98e6a245ec1645d77c09da144189 [0,2,0,0,0,0|2,0,0]=4 3564 B13R1.388 CCNc1cnc(cc1C)OCC bb66c4ba4eae70bfec97117fa7cd2586 [0,2,0,0,0,0|2,0,0]=4 3565 B13R1.388 CCOc1ccc(c(c1)Br)NCF c919ed38102dbf03ed2558461e6689d5 [0,2,0,0,0,0|2,0,0]=4 3566 B13R1.388 CCOc1ccc(c(c1)Br)NCO 03267f960069710c483605d040e13031 [0,2,0,0,0,0|2,0,0]=4 3567 B13R1.388 CCOc1ccc(c(c1)C)NCF da6b4a30aa4fe59a27763c09c033dc83 [0,2,0,0,0,0|2,0,0]=4 3568 B13R1.388 CCOc1ccc(c(c1)C)NCO d5fd819935135b0ce9cc91c6a775fb4c [0,2,0,0,0,0|2,0,0]=4 3569 B13R1.388 CCOc1ccc(c(c1)Cl)NCF 1177f3512c49c6c65e472901fbb4bed3 [0,2,0,0,0,0|2,0,0]=4 3570 B13R1.388 CCOc1ccc(c(c1)Cl)NCO 39d4d31016f224407d2a56e3cfc904db [0,2,0,0,0,0|2,0,0]=4 3571 B13R1.388 CCOc1ccc(c(c1)Cl)OCC d84187d3eae27bb21223ff6c7c0e3bd2 [0,2,0,0,0,0|1,0,0]=3 3572 B13R1.388 CCOc1ccc(c(c1)F)NCF da474c76401dfb57e80073c8566cbf74 [0,2,0,0,0,0|2,0,0]=4 3573 B13R1.388 CCOc1ccc(c(c1)F)NCO afbb5692d1f08762dfcda993f909ead9 [0,2,0,0,0,0|2,0,0]=4 3574 B13R1.388 CCOc1ccc(c(c1)F)OCC aed48f43b3896700b41fd91a390a402d [0,2,0,0,0,0|1,0,0]=3 3575 B13R1.388 CCOc1ccc(cc1Br)NCF 546dbf69c82893398acb37ef9b4421f7 [0,2,0,0,0,0|2,0,0]=4 3576 B13R1.388 CCOc1ccc(cc1Br)NCO db98b4268908ea49ded1d2dc44fb0908 [0,2,0,0,0,0|2,0,0]=4 3577 B13R1.388 CCOc1ccc(cc1C)COC 2c436b6b89a233720bcc47c31933dd67 [0,2,0,0,0,0|1,0,0]=3 3578 B13R1.388 CCOc1ccc(cc1C)NCF b526286a59d879573f7434749336d733 [0,2,0,0,0,0|2,0,0]=4 3579 B13R1.388 CCOc1ccc(cc1C)NCO d981d5fe7c10f93b8729fa11649c09f0 [0,2,0,0,0,0|2,0,0]=4 3580 B13R1.388 CCOc1ccc(cc1Cl)NCF e33ba81f2c01e24c2f9d60c3b2f2f38f [0,2,0,0,0,0|2,0,0]=4 3581 B13R1.388 CCOc1ccc(cc1Cl)NCO 9f4f53ea446924c57ab19ada3e78e75c [0,2,0,0,0,0|2,0,0]=4 3582 B13R1.388 CCOc1ccc(cc1Cl)OCF 865dfec58653e2992498080a6ae2f935 [0,2,0,0,0,0|1,0,0]=3 3583 B13R1.388 CCOc1ccc(cc1F)NCF 2a41e4266383c51f9145d6174072c73e [0,2,0,0,0,0|2,0,0]=4 3584 B13R1.388 CCOc1ccc(cc1F)NCO 1fd2d6d277d07942eb82761c8063305a [0,2,0,0,0,0|2,0,0]=4 3585 B13R1.388 CCOc1ccc(cc1F)OCF b95f6fca2a16ebd41fb535adbc0ad156 [0,2,0,0,0,0|1,0,0]=3 3586 B13R1.388 CCOc1cnc(c(c1)Cl)OCC 70a9c270e4f80b6757a880a91b53c616 [0,2,0,0,0,0|2,0,0]=4 3587 B13R1.388 CCOc1ncc(cc1Cl)OCF ac19771f1d1b8d41573a90a7afa57d9d [0,2,0,0,0,0|2,0,0]=4 3588 B13R1.388 COCc1ccc(c(c1)C)OCF 129b48a1aa88259243fef0273f5bf001 [0,2,0,0,0,0|1,0,0]=3 3589 B13R1.388 COCc1ccc(cc1F)NCF 05d46e98cc21a9d411ded792b124067d [0,2,0,0,0,0|2,0,0]=4 3590 B13R1.388 COCc1ccc(cc1F)NCO 26f6567065c68bda98419e6eb573625f [0,2,0,0,0,0|2,0,0]=4 3591 B13R1.388 OCCc1ccc(c(c1)Br)NCF f43790f38cb9b24f33d788f5da1534af [0,2,0,0,0,0|2,0,0]=4 3592 B13R1.388 OCCc1ccc(c(c1)Br)NCO c16f6eb90673517831f7c4bf51662493 [0,2,0,0,0,0|2,0,0]=4 3593 B13R1.1249 C#Cc1cc(ccc1NCC)OC 9319c3e7e222d7a14a9437df0e0ca11f [0,2,0,0,0,0|1,0,0]=3 3594 B13R1.1249 C#Cc1cc(ccc1NCF)OC 12d3be9ab893aefbef0aefe734fe92bc [0,2,0,0,0,0|2,0,0]=4 3595 B13R1.1249 C#Cc1cc(ccc1NCO)OC 02ae19691d1a04fd73bb4c77c04da650 [0,2,0,0,0,0|2,0,0]=4 3596 B13R1.1249 C=Cc1cc(ccc1NCC)OC 47e343668baf45b061aff7a57718fd24 [0,2,0,0,0,0|1,0,0]=3 3597 B13R1.1249 C=Cc1cc(ccc1NCF)OC 648e32f7f0bbc22c15718bb49f4a5696 [0,2,0,0,0,0|2,0,0]=4 3598 B13R1.1249 C=Cc1cc(ccc1NCO)OC a7def52599d9752d06f4c14fd1a72f13 [0,2,0,0,0,0|2,0,0]=4 3599 B13R1.1249 CCNc1ccc(cc1C#N)CC f651dd46792e3af1f3633c60e8a09276 [0,2,0,0,0,0|2,0,0]=4 3600 B13R1.1249 CCNc1ccc(cc1C#N)OC ef42f8f49d62340867d193444c46de4a [0,2,0,0,0,0|1,0,0]=3 3601 B13R1.1249 CCNc1ccc(cc1CC)CC 213c78332811d47a7a6c7c20715630ec [0,2,0,0,0,0|2,0,0]=4 3602 B13R1.1249 CCNc1ccc(cc1CO)OC 935e780a2e5516c3054a7addf8753e45 [0,2,0,0,0,0|1,0,0]=3 3603 B13R1.1249 CCNc1ccc(cc1OC)OC f64b97b027636d5172ee22e0739ab06d [0,2,0,0,0,0|1,0,0]=3 3604 B13R1.1249 CCNc1ccc(nc1C#N)OC 225d9052786f85303a4ab1524a36350c [0,2,0,0,0,0|2,0,0]=4 3605 B13R1.1249 CCNc1ccc(nc1CC)OC a7b595a9d21f5dcb9e34885ed0c4f42b [0,2,0,0,0,0|2,0,0]=4 3606 B13R1.1249 CCNc1ccc(nc1OC)OC dcbedad96e78966acbdc519423ae9c35 [0,2,0,0,0,0|2,0,0]=4 3607 B13R1.1249 CCNc1cnc(cc1C=O)OC e3574da4ad94558c428935c33d689ce3 [0,2,0,0,0,0|2,0,0]=4 3608 B13R1.1249 CCNc1ncc(cc1OC)OC 0c7f3ae37751a2de0b4d319e1fea6f02 [0,2,0,0,0,0|2,0,0]=4 3609 B13R1.1249 CCOc1ccc(cc1C#N)OC 6b7789acee50b673017cd09d5d49d919 [0,2,0,0,0,0|1,0,0]=3 3610 B13R1.1249 CCOc1ccc(cc1C=O)CC 4731fa4f572ecb004214d6f2c9ee48f2 [0,2,0,0,0,0|2,0,0]=4 3611 B13R1.1249 CCOc1ccc(cc1C=O)OC 1084ffe64af06d955095eb9977fd349b [0,2,0,0,0,0|1,0,0]=3 3612 B13R1.1249 CCOc1ccc(cc1C=O)SC e5879eec0e0c6599f68785c4c751e543 [0,2,0,0,0,0|1,1,0]=4 3613 B13R1.1249 CCOc1ccc(cc1OC)CC 02213ead23101d37eb6b9422743bf17f [0,2,0,0,0,0|2,0,0]=4 3614 B13R1.1249 CCOc1ccc(cc1OC)OC b35a9fe74ae0c00519195c1ff739e09d [0,2,0,0,0,0|1,0,0]=3 3615 B13R1.1249 CCOc1ccc(cc1SC)OC 3795be9d34061e274180ceb3fe466c9b [0,2,0,0,0,0|1,0,0]=3 3616 B13R1.1249 CCOc1ccc(nc1C#N)OC e3c782f2fd1e6de1d377a1838e1cc07a [0,2,0,0,0,0|2,0,0]=4 3617 B13R1.1249 CCOc1ccc(nc1OC)OC 980e533409d6e6ec33199c397dc6018a [0,2,0,0,0,0|2,0,0]=4 3618 B13R1.1249 CCOc1cnc(cc1C=O)OC f072abe081ff2055dd12342be85f01d2 [0,2,0,0,0,0|2,0,0]=4 3619 B13R1.1249 COc1ccc(c(c1)C#N)NCF f17262b8494e072361a8e197b513a1d0 [0,2,0,0,0,0|2,0,0]=4 3620 B13R1.1249 COc1ccc(c(c1)C#N)NCO c126faab5e466e0851132f6b4e14a735 [0,2,0,0,0,0|2,0,0]=4 3621 B13R1.1249 COc1ccc(c(c1)C#N)OCF dc7eb901d99a62d8669dd5de56333ced [0,2,0,0,0,0|2,0,0]=4 3622 B13R1.1249 COc1ccc(c(c1)C=O)OCF 37f21ac1b0b831143a72cbefc4ff5e6c [0,2,0,0,0,0|2,0,0]=4 3623 B13R1.1249 COc1ccc(c(c1)CO)NCF fcc07986ec1757f109ed101e88dc66d8 [0,2,0,0,0,0|2,0,0]=4 3624 B13R1.1249 COc1ccc(c(c1)CO)NCO ef452b38d7e2f4ab510f303889233e0f [0,2,0,0,0,0|2,0,0]=4 3625 B13R1.1249 COc1ccc(c(c1)OC)NCF da0afdc1d2cc3cadfc5cfeaaecbbcbca [0,2,0,0,0,0|2,0,0]=4 3626 B13R1.1249 COc1ccc(c(c1)OC)NCO 46a824a95dcd23f9496c2e7b15da8d73 [0,2,0,0,0,0|2,0,0]=4 3627 B13R1.1249 COc1ccc(c(c1)OC)OCF 36a3515cb9e24ea25627062b676e23d8 [0,2,0,0,0,0|2,0,0]=4 3628 B13R1.1249 COc1ccc(c(c1)SC)OCF 9b1f556df7868880b76929de5e6ae798 [0,2,0,0,0,0|2,0,0]=4 3629 B13R1.1254 CCNc1ccc(c(c1Br)F)OC 791b90fdbff3f7bfde3486debbdd09f7 [0,2,0,0,0,0|1,0,0]=3 3630 B13R1.1254 CCNc1ccc(c(c1C)Br)OC 9646235632dca031a3bb3ddc0e8ce6d2 [0,2,0,0,0,0|1,0,0]=3 3631 B13R1.1254 CCNc1ccc(c(c1C)F)OC e959f9a112d99756ba10361160872883 [0,2,0,0,0,0|1,0,0]=3 3632 B13R1.1254 CCNc1ccc(c(c1Cl)C)OC f46c0fe1621357bcf772fcf37d1fea01 [0,2,0,0,0,0|1,0,0]=3 3633 B13R1.1254 CCNc1ccc(c(c1F)Br)OC cbe3f26fba3d299675244087714824e5 [0,2,0,0,0,0|1,0,0]=3 3634 B13R1.1254 CCNc1ccc(c(c1F)Cl)OC 08bfbd9cea22a1730b9508ae7aa8aca9 [0,2,0,0,0,0|1,0,0]=3 3635 B13R1.1254 CCNc1ccc(c(c1F)F)OC a1fa627e5a705f9ea4ba8a59f197d65c [0,2,0,0,0,0|1,0,0]=3 3636 B13R1.1254 CCNc1ccc(c(c1I)F)OC 3915809b3d26e9a1a6c69e8b65d7b18a [0,2,0,0,0,0|1,0,0]=3 3637 B13R1.1254 CCOc1ccc(c(c1Br)F)OC 4e3fef12f5a6595596ed47dc32d4c122 [0,2,0,0,0,0|1,0,0]=3 3638 B13R1.1254 CCOc1ccc(c(c1C)C)OC 15e46bfe4f956f83e48cef345ea62da5 [0,2,0,0,0,0|1,0,0]=3 3639 B13R1.1254 CCOc1ccc(c(c1C)C)SC bb224d03183fdec45f31e40647a45a8f [0,2,0,0,0,0|1,1,0]=4 3640 B13R1.1254 CCOc1ccc(c(c1C)F)OC 12616a34b68be6060c7415078161fc90 [0,2,0,0,0,0|1,0,0]=3 3641 B13R1.1254 CCOc1ccc(c(c1Cl)Cl)OC c0182c146d9916ead543c80f5b6421ee [0,2,0,0,0,0|1,0,0]=3 3642 B13R1.1254 CCOc1ccc(c(c1Cl)F)OC 6ecd3bf7e61d4a6908732c79b4c589ea [0,2,0,0,0,0|1,0,0]=3 3643 B13R1.1254 CCOc1ccc(c(c1F)Br)OC 0a9149d12793406207563944f0e4241c [0,2,0,0,0,0|1,0,0]=3 3644 B13R1.1254 CCOc1ccc(c(c1F)Cl)OC 89ec3a9328e09e53e488a0028efd5103 [0,2,0,0,0,0|1,0,0]=3 3645 B13R1.1254 CCOc1ccc(c(c1F)F)OC eedc4ec189916962b5108783964397b6 [0,2,0,0,0,0|1,0,0]=3 3646 B13R1.1254 CCOc1ccc(c(c1I)F)OC 3a3c42c04d40ac286116b8c5858ba4c8 [0,2,0,0,0,0|1,0,0]=3 3647 B13R1.1254 COc1ccc(c(c1Br)C)NCF e8d0b7dc556650c0cb6477976f675eae [0,2,0,0,0,0|2,0,0]=4 3648 B13R1.1254 COc1ccc(c(c1Br)C)NCO 9fbb505642d6b34a04a39ae9fcb13175 [0,2,0,0,0,0|2,0,0]=4 3649 B13R1.1254 COc1ccc(c(c1Br)F)NCF 52071673fffd7ed41896c294d99212e1 [0,2,0,0,0,0|2,0,0]=4 3650 B13R1.1254 COc1ccc(c(c1Br)F)NCO c577fc36426f6bd4587458f45a14af32 [0,2,0,0,0,0|2,0,0]=4 3651 B13R1.1254 COc1ccc(c(c1Br)F)OCF 33f6e97318644909bee6f617cefa4565 [0,2,0,0,0,0|2,0,0]=4 3652 B13R1.1254 COc1ccc(c(c1C)C)OCF b74cb0892a8835fa6c156e8392e296f0 [0,2,0,0,0,0|2,0,0]=4 3653 B13R1.1254 COc1ccc(c(c1C)Cl)NCF dd2a3967757aa546b0fd9c4bf13ed777 [0,2,0,0,0,0|2,0,0]=4 3654 B13R1.1254 COc1ccc(c(c1C)Cl)NCO ecd599f6496b255f022699423a95d7b9 [0,2,0,0,0,0|2,0,0]=4 3655 B13R1.1254 COc1ccc(c(c1Cl)Cl)OCF 28e1cd255cb2779d647593171b29684f [0,2,0,0,0,0|2,0,0]=4 3656 B13R1.1254 COc1ccc(c(c1Cl)F)NCF ff309689c7f0272d14853982e7cecd87 [0,2,0,0,0,0|2,0,0]=4 3657 B13R1.1254 COc1ccc(c(c1Cl)F)NCO 8360c5ba5d57d74fcd8a466f5e004a42 [0,2,0,0,0,0|2,0,0]=4 3658 B13R1.1254 COc1ccc(c(c1Cl)F)OCF ca88c270475ff2dbc8882864543247ac [0,2,0,0,0,0|2,0,0]=4 3659 B13R1.1254 COc1ccc(c(c1F)Br)NCF afa48857324882ccacf9338620fc4da5 [0,2,0,0,0,0|2,0,0]=4 3660 B13R1.1254 COc1ccc(c(c1F)Br)NCO 21a41ac0788aba028b311c7ebc3bc7bf [0,2,0,0,0,0|2,0,0]=4 3661 B13R1.1254 COc1ccc(c(c1F)Br)OCF 01d5791fafb02f6130b4f7f382d91e80 [0,2,0,0,0,0|2,0,0]=4 3662 B13R1.1254 COc1ccc(c(c1F)C)NCF 23e868e2785ef154f3951010b2b899ac [0,2,0,0,0,0|2,0,0]=4 3663 B13R1.1254 COc1ccc(c(c1F)C)NCO e52a04eb43e131d9f20c2eaf01598c3f [0,2,0,0,0,0|2,0,0]=4 3664 B13R1.1254 COc1ccc(c(c1F)C)OCF 9cf9d3be82bd558afa6ced5c663e20d5 [0,2,0,0,0,0|2,0,0]=4 3665 B13R1.1254 COc1ccc(c(c1F)Cl)OCF dae63c35cd94494497438297408a7fa4 [0,2,0,0,0,0|2,0,0]=4 3666 B13R1.1254 COc1ccc(c(c1F)F)NCF 912cf00c9832c6aedbe63fc3d6746724 [0,2,0,0,0,0|2,0,0]=4 3667 B13R1.1254 COc1ccc(c(c1F)F)NCO fac84672a93c12aada9d313ff31788b1 [0,2,0,0,0,0|2,0,0]=4 3668 B13R1.1254 COc1ccc(c(c1F)F)OCF 07c951a5cd6fa82f746b9dbea9357ab6 [0,2,0,0,0,0|2,0,0]=4 3669 B13R1.1254 COc1ccc(c(c1F)I)NCO d53ae09df1bda94ef2f14b1da48cd98d [0,2,0,0,0,0|2,0,0]=4 3670 B13R1.1254 COc1ccc(c(c1F)I)OCF 3f65b2be4a43fcaeef60b3897cf09f25 [0,2,0,0,0,0|2,0,0]=4 3671 B13R1.2901 CCNc1cc(c(cc1C)OC)C f34840c49ee664b1eee8491a8e81fc23 [0,2,0,0,0,0|1,0,0]=3 3672 B13R1.2901 CCNc1cc(c(cc1C)OC)Cl 149b0a6882b38a42338a5ad203b9f739 [0,2,0,0,0,0|1,0,0]=3 3673 B13R1.2901 CCNc1cc(c(cc1Cl)OC)C a0e6b1105b2cd5fa72bfa1c544a22267 [0,2,0,0,0,0|1,0,0]=3 3674 B13R1.2901 CCNc1cc(c(cc1Cl)OC)Cl 712b9dd0473577e8965b8241f47cca7b [0,2,0,0,0,0|1,0,0]=3 3675 B13R1.2901 CCNc1cc(c(cc1Cl)OC)F 58fe25adee506e48f35bf43f60db7d05 [0,2,0,0,0,0|1,0,0]=3 3676 B13R1.2901 CCNc1cc(c(cc1F)OC)Cl a4a5f424f811b2455c1637fa219f5bb6 [0,2,0,0,0,0|1,0,0]=3 3677 B13R1.2901 CCNc1cc(c(cc1F)OC)F 2e69cd71b55563eada998a9fdcbf7d81 [0,2,0,0,0,0|1,0,0]=3 3678 B13R1.2901 CCNc1cc(c(nc1Cl)OC)F 43139d6c4697d2691b9f9d5ed12088db [0,2,0,0,0,0|2,0,0]=4 3679 B13R1.2901 CCOc1cc(c(cc1Br)OC)F 4533b209c42e3a29a07b91b0fdc49786 [0,2,0,0,0,0|1,0,0]=3 3680 B13R1.2901 CCOc1cc(c(cc1C)OC)Br 40f17f5a93a2f3476a8edb04b0384335 [0,2,0,0,0,0|1,0,0]=3 3681 B13R1.2901 CCOc1cc(c(cc1C)OC)C b5e77816882e583db43eedcebc0b11d5 [0,2,0,0,0,0|1,0,0]=3 3682 B13R1.2901 CCOc1cc(c(cc1C)OC)Cl 52cf96f901e55b9a4fe93d9e8e64df3e [0,2,0,0,0,0|1,0,0]=3 3683 B13R1.2901 CCOc1cc(c(cc1C)OC)F dc59633ba86c3cb41b2766838a1e65b9 [0,2,0,0,0,0|1,0,0]=3 3684 B13R1.2901 CCOc1cc(c(cc1Cl)OC)C 8aa3374b5ada9634041bbc96db824a93 [0,2,0,0,0,0|1,0,0]=3 3685 B13R1.2901 CCOc1cc(c(cc1Cl)SC)Cl 5f54704c9a0d0b71222568e1429a701f [0,2,0,0,0,0|1,1,0]=4 3686 B13R1.2901 CCOc1cc(c(cc1F)OC)Br ec6ecf33cac9af143668265934b89744 [0,2,0,0,0,0|1,0,0]=3 3687 B13R1.2901 CCOc1cc(c(cc1F)OC)C 1cdcdac755fc5645b361dcd9b9206db7 [0,2,0,0,0,0|1,0,0]=3 3688 B13R1.2901 CCOc1cc(c(cc1F)OC)Cl 3082728c6d3ad2eed4e78148bf999348 [0,2,0,0,0,0|1,0,0]=3 3689 B13R1.2901 CCOc1cc(c(cc1F)OC)F 5a55303aa4127bc04eef9f2f94aa9965 [0,2,0,0,0,0|1,0,0]=3 3690 B13R1.2901 CCOc1cc(c(cc1F)OC)I 76b5a1f937a6347183a1af8e007f4995 [0,2,0,0,0,0|1,0,0]=3 3691 B13R1.2901 CCOc1cc(c(cc1F)SC)F d186f9eb9d1be0cd172f3423dd8ccfb2 [0,2,0,0,0,0|1,1,0]=4 3692 B13R1.2901 COc1cc(c(cc1C)NCF)C 9c3f7498af8ed0b47a9c281a4f2b3328 [0,2,0,0,0,0|2,0,0]=4 3693 B13R1.2901 COc1cc(c(cc1C)NCF)Cl cad10b896eebdf764c30cb28f1f70726 [0,2,0,0,0,0|2,0,0]=4 3694 B13R1.2901 COc1cc(c(cc1C)NCO)C ee2d583bc6e1f36fcb3c4586fe195b9e [0,2,0,0,0,0|2,0,0]=4 3695 B13R1.2901 COc1cc(c(cc1C)NCO)Cl 53f99011ba9c80e571034ee8310b8cfe [0,2,0,0,0,0|2,0,0]=4 3696 B13R1.2901 COc1cc(c(cc1C)OCF)C 4399e245a49698ced1259f540f350023 [0,2,0,0,0,0|2,0,0]=4 3697 B13R1.2901 COc1cc(c(cc1C)OCF)Cl 0d6c91575fc22e73bd4c912c5ffe1b04 [0,2,0,0,0,0|2,0,0]=4 3698 B13R1.2901 COc1cc(c(cc1C)OCF)F 76fdc49e438db4f36bc21d16386a7c50 [0,2,0,0,0,0|2,0,0]=4 3699 B13R1.2901 COc1cc(c(cc1Cl)NCF)C acb2f457b00bea572b5557577f20ef08 [0,2,0,0,0,0|2,0,0]=4 3700 B13R1.2901 COc1cc(c(cc1Cl)NCF)Cl d6225df2fe22fdd216c1bb75a46385bf [0,2,0,0,0,0|2,0,0]=4 3701 B13R1.2901 COc1cc(c(cc1Cl)NCF)F 65969bde2b6b06afa9a51e7fcb80cb9a [0,2,0,0,0,0|2,0,0]=4 3702 B13R1.2901 COc1cc(c(cc1Cl)NCO)C c477e8e169801f10c2423c8b48879eb1 [0,2,0,0,0,0|2,0,0]=4 3703 B13R1.2901 COc1cc(c(cc1Cl)NCO)Cl 385d6f2ff1f3c49ed428e3a482ea78bd [0,2,0,0,0,0|2,0,0]=4 3704 B13R1.2901 COc1cc(c(cc1Cl)NCO)F 1a04a024a1f13693eb4c541e2bd0aba1 [0,2,0,0,0,0|2,0,0]=4 3705 B13R1.2901 COc1cc(c(cc1Cl)OCF)C c1f58986917f60488135aff81e7b2b0a [0,2,0,0,0,0|2,0,0]=4 3706 B13R1.2901 COc1cc(c(cc1Cl)OCF)F 9ba6ef9453fc93bdded315c065ae72e8 [0,2,0,0,0,0|2,0,0]=4 3707 B13R1.2901 COc1cc(c(cc1F)NCF)Cl 5feb85b6d74a61b3207fefffb47332eb [0,2,0,0,0,0|2,0,0]=4 3708 B13R1.2901 COc1cc(c(cc1F)NCF)F 549d10cb1cd5eaf6c7d0646d5570d136 [0,2,0,0,0,0|2,0,0]=4 3709 B13R1.2901 COc1cc(c(cc1F)OCF)Br c6c43a9fc0b9a7e6eddab4d6d1e27a28 [0,2,0,0,0,0|2,0,0]=4 3710 B13R1.2901 COc1cc(c(cc1F)OCF)C 48f7a24023bc2bc4d38fff463458be98 [0,2,0,0,0,0|2,0,0]=4 3711 B13R1.2901 COc1cc(c(cc1F)OCF)F 3ebef47465f7545d9333b061484c3fc9 [0,2,0,0,0,0|2,0,0]=4 3712 B13R1.3945 CCNc1c(cc(cc1Br)CC)Cl 6991e0fc70827566665411a9ad094f88 [0,2,0,0,0,0|2,0,0]=4 3713 B13R1.3945 CCNc1c(cc(cc1Br)OC)Br c42027498ba07dc0c751d42b7e8cbe3e [0,2,0,0,0,0|1,0,0]=3 3714 B13R1.3945 CCNc1c(cc(cc1Br)OC)C 40aded22a82e12478ac906321cd84a8d [0,2,0,0,0,0|1,0,0]=3 3715 B13R1.3945 CCNc1c(cc(cc1Br)OC)Cl 1b38f89651771fd02577ed9f2ee7f703 [0,2,0,0,0,0|1,0,0]=3 3716 B13R1.3945 CCNc1c(cc(cc1Br)OC)F 7b3792c5fb099f3dff0d9eac444113e3 [0,2,0,0,0,0|1,0,0]=3 3717 B13R1.3945 CCNc1c(cc(cc1C)OC)C 02b818f101fd70c936fcff8b63001ad7 [0,2,0,0,0,0|1,0,0]=3 3718 B13R1.3945 CCNc1c(cc(cc1Cl)OC)Cl d3027b862d0cc80adb8d0ab7581696fc [0,2,0,0,0,0|1,0,0]=3 3719 B13R1.3945 CCNc1c(cc(cc1F)OC)F 5b0c936c8ca8422de26aaa29015a83d5 [0,2,0,0,0,0|1,0,0]=3 3720 B13R1.3945 CCNc1c(cc(cc1F)SC)F 3582f13005f119797acceb77c5b8cb15 [0,2,0,0,0,0|1,1,0]=4 3721 B13R1.3945 CCNc1c(cc(nc1C)OC)C 05a71b7f22f2c26409dae5d4b225dc75 [0,2,0,0,0,0|2,0,0]=4 3722 B13R1.3945 CCOc1c(cc(cc1Br)CC)Br 0fcd8a8ae9b8f4860c4df919a5b8ce73 [0,2,0,0,0,0|2,0,0]=4 3723 B13R1.3945 CCOc1c(cc(cc1Br)CC)Cl 57d1dacb28d5b50ee1868f60c6eeedff [0,2,0,0,0,0|2,0,0]=4 3724 B13R1.3945 CCOc1c(cc(cc1Br)OC)Br 2d9db37d4086d6ff58d496f1553c7ded [0,2,0,0,0,0|1,0,0]=3 3725 B13R1.3945 CCOc1c(cc(cc1Br)OC)Cl 2c2e3981b21cc41bc963cf3bea8bec60 [0,2,0,0,0,0|1,0,0]=3 3726 B13R1.3945 CCOc1c(cc(cc1Br)OC)F 3a959661da1c812dbdd0f6d084916a9b [0,2,0,0,0,0|1,0,0]=3 3727 B13R1.3945 CCOc1c(cc(cc1C)CC)C a20a3c333a59a29331a807d852e2ace9 [0,2,0,0,0,0|2,0,0]=4 3728 B13R1.3945 CCOc1c(cc(cc1C)OC)C 94411157dbda93f367c415c3382edb35 [0,2,0,0,0,0|1,0,0]=3 3729 B13R1.3945 CCOc1c(cc(cc1C)SC)C 86cdc5ed2da60d01159355e98c226391 [0,2,0,0,0,0|1,1,0]=4 3730 B13R1.3945 CCOc1c(cc(cc1Cl)OC)C 636d1c03e290fee13fdce554028ecf09 [0,2,0,0,0,0|1,0,0]=3 3731 B13R1.3945 CCOc1c(cc(cc1Cl)OC)Cl c0cea22c3fb1e2c3e8d5fca871c46b02 [0,2,0,0,0,0|1,0,0]=3 3732 B13R1.3945 CCOc1c(cc(cc1Cl)OC)F b049f4d83d7c05ec17cec55e38ccb650 [0,2,0,0,0,0|1,0,0]=3 3733 B13R1.3945 CCOc1c(cc(cc1F)OC)F da4c485eb4efaef750ec20d544419af8 [0,2,0,0,0,0|1,0,0]=3 3734 B13R1.3945 COc1cc(c(c(c1)Br)NCF)Br 02862e5f9cc990f1a848f74e48ebe0d0 [0,2,0,0,0,0|2,0,0]=4 3735 B13R1.3945 COc1cc(c(c(c1)Br)NCF)C f410068fc65caf53439a5c8d915ec1a3 [0,2,0,0,0,0|2,0,0]=4 3736 B13R1.3945 COc1cc(c(c(c1)Br)NCF)Cl 95182bf2120ef9e7d445f6c5562a4e64 [0,2,0,0,0,0|2,0,0]=4 3737 B13R1.3945 COc1cc(c(c(c1)Br)NCF)F e51d96120777e6edd3837705ee386a06 [0,2,0,0,0,0|2,0,0]=4 3738 B13R1.3945 COc1cc(c(c(c1)Br)NCO)Br d583a8471117b22a392805a31b520a1d [0,2,0,0,0,0|2,0,0]=4 3739 B13R1.3945 COc1cc(c(c(c1)Br)NCO)C 1cbd5dbf8f26a2d6b414a5d823e3a460 [0,2,0,0,0,0|2,0,0]=4 3740 B13R1.3945 COc1cc(c(c(c1)Br)NCO)Cl 5019e1397d07155552e963489d37a25a [0,2,0,0,0,0|2,0,0]=4 3741 B13R1.3945 COc1cc(c(c(c1)Br)NCO)F b4c575c9352b8178277c697cdceb0981 [0,2,0,0,0,0|2,0,0]=4 3742 B13R1.3945 COc1cc(c(c(c1)Br)OCF)Br cefcb219b93a611771b5c69eef49a23f [0,2,0,0,0,0|2,0,0]=4 3743 B13R1.3945 COc1cc(c(c(c1)Br)OCF)Cl 7b4dece8a104d2e6d2ea5eac21e3f294 [0,2,0,0,0,0|2,0,0]=4 3744 B13R1.3945 COc1cc(c(c(c1)Br)OCF)F 352dee06666794d4ccf7296cf572d67f [0,2,0,0,0,0|2,0,0]=4 3745 B13R1.3945 COc1cc(c(c(c1)C)NCF)C 5cff88946a12607e40002dab2c899032 [0,2,0,0,0,0|2,0,0]=4 3746 B13R1.3945 COc1cc(c(c(c1)C)NCO)C 7850aa1e2c12330768473caf9c552770 [0,2,0,0,0,0|2,0,0]=4 3747 B13R1.3945 COc1cc(c(c(c1)C)OCF)C 63dd0f5ecb63dd5b7ab49de8bc901591 [0,2,0,0,0,0|2,0,0]=4 3748 B13R1.3945 COc1cc(c(c(c1)Cl)NCF)Cl ece4b492478ab4b2002ec120b77708e2 [0,2,0,0,0,0|2,0,0]=4 3749 B13R1.3945 COc1cc(c(c(c1)Cl)NCO)Cl bf4e3acdeceaf5a1445c5fb4ae433b4b [0,2,0,0,0,0|2,0,0]=4 3750 B13R1.3945 COc1cc(c(c(c1)Cl)OCF)C 843dfc2720da444ab75c7b106a5ce3be [0,2,0,0,0,0|2,0,0]=4 3751 B13R1.3945 COc1cc(c(c(c1)Cl)OCF)Cl d08e4b1680883457e5dd591202ae78fd [0,2,0,0,0,0|2,0,0]=4 3752 B13R1.3945 COc1cc(c(c(c1)Cl)OCF)F 0e61c5104084ad567b90b581505dd145 [0,2,0,0,0,0|2,0,0]=4 3753 B13R1.3945 COc1cc(c(c(c1)F)NCF)F eb1549d56cef6bd7fa94e7abe37d1b97 [0,2,0,0,0,0|2,0,0]=4 3754 B13R1.3945 COc1cc(c(c(c1)F)NCO)F 06a4b41184f03eba9c6404abaf42084f [0,2,0,0,0,0|2,0,0]=4 3755 B13R1.3945 COc1cc(c(c(c1)F)OCF)F 0bcd59e2d7c82afa50ed65a870ede4c0 [0,2,0,0,0,0|2,0,0]=4 3756 B13R1.386 CCNc1cc(c(cn1)OC)OC fa473d6adfea21d55cbc6a4a0a06f854 [0,2,0,0,0,0|2,0,0]=4 3757 B13R1.386 CCNc1ccc(c(c1)C#N)OC 635055375ab54e37162a930c02ce337a [0,2,0,0,0,0|1,0,0]=3 3758 B13R1.386 CCNc1ccc(c(c1)C#N)SC c8dab152e464f2caba67a8fd6641dc65 [0,2,0,0,0,0|1,1,0]=4 3759 B13R1.386 CCNc1ccc(c(c1)CO)OC 37ee610e7a72014f4f09ec5a02745a67 [0,2,0,0,0,0|1,0,0]=3 3760 B13R1.386 CCNc1ccc(c(c1)OC)OC 7aaabdfffa953aa00d0f4645409b50c1 [0,2,0,0,0,0|1,0,0]=3 3761 B13R1.386 CCNc1ccc(c(c1)OC)SC b7cb33d095f719e5781f9c531fce2975 [0,2,0,0,0,0|1,1,0]=4 3762 B13R1.386 CCNc1ccc(c(n1)OC)OC 9df451299d8adf482cb66c6f7b9e58e6 [0,2,0,0,0,0|2,0,0]=4 3763 B13R1.386 CCNc1cnc(c(c1)C#N)OC d77fe93225bb60472ef8ec1cd16357c7 [0,2,0,0,0,0|2,0,0]=4 3764 B13R1.386 CCNc1cnc(c(c1)OC)OC 76c6b3c92b6c6b21172e429b1abda0af [0,2,0,0,0,0|2,0,0]=4 3765 B13R1.386 CCOc1ccc(c(c1)C#N)OC 9d9aacd3ede5a9cdd33ab4c757184fd6 [0,2,0,0,0,0|1,0,0]=3 3766 B13R1.386 CCOc1ccc(c(c1)C=O)OC ea880753ff755ee49af1d2d18fcd074c [0,2,0,0,0,0|1,0,0]=3 3767 B13R1.386 CCOc1ccc(c(c1)OC)OC 6c73ed6ffafed6354ae8d7226fe80afa [0,2,0,0,0,0|1,0,0]=3 3768 B13R1.386 CCOc1cnc(c(c1)C#N)OC e4d8c8b4f7718cd4379c8383a38aa251 [0,2,0,0,0,0|2,0,0]=4 3769 B13R1.386 CCOc1cnc(c(c1)OC)OC 57e214659ab3e577eff7a0684e140b00 [0,2,0,0,0,0|2,0,0]=4 3770 B13R1.386 COc1ccc(cc1C#N)NCF f442ddc0cc3764c27bd7df3242212e41 [0,2,0,0,0,0|2,0,0]=4 3771 B13R1.386 COc1ccc(cc1C#N)NCO a08081302dd0de1c75d9fb15d6193edf [0,2,0,0,0,0|2,0,0]=4 3772 B13R1.386 COc1ccc(cc1C#N)OCF 13b75b57876f6a4a1470ecbb42f3aa7e [0,2,0,0,0,0|2,0,0]=4 3773 B13R1.386 COc1ccc(cc1C=O)OCF 80af4decba76635159152ae5620c64d8 [0,2,0,0,0,0|2,0,0]=4 3774 B13R1.386 COc1ccc(cc1CO)NCF ac38aba4ae00ae69f34ea55acdfe4916 [0,2,0,0,0,0|2,0,0]=4 3775 B13R1.386 COc1ccc(cc1CO)NCO a4420fe1d33f9d3d6c9ea698f9b48a71 [0,2,0,0,0,0|2,0,0]=4 3776 B13R1.386 COc1ccc(cc1OC)NCF 704bed6877e8baf301731ef23dcdb1ec [0,2,0,0,0,0|2,0,0]=4 3777 B13R1.386 COc1ccc(cc1OC)NCO 4b39e00e89dbd96570c7c579706aef2b [0,2,0,0,0,0|2,0,0]=4 3778 B13R1.386 COc1ccc(cc1OC)OCF 4f4bf9dcbab53167ab02d620affea61b [0,2,0,0,0,0|2,0,0]=4 3779 B13R1.4031 CCNc1cc(c(c(c1)Br)OC)Br e3af3bfd82f8d8a935df5d520a2af550 [0,2,0,0,0,0|1,0,0]=3 3780 B13R1.4031 CCNc1cc(c(c(c1)Br)OC)C efb25f6543fa1593b0b5137cc972050b [0,2,0,0,0,0|1,0,0]=3 3781 B13R1.4031 CCNc1cc(c(c(c1)Br)OC)Cl a1204af32794889714c2662c6bd664bf [0,2,0,0,0,0|1,0,0]=3 3782 B13R1.4031 CCNc1cc(c(c(c1)Br)OC)F 62b3348d377e23ca7fa91fa51d4b1139 [0,2,0,0,0,0|1,0,0]=3 3783 B13R1.4031 CCNc1cc(c(c(c1)C)OC)C af1b84d6c31c8d491a239663d1f9bc01 [0,2,0,0,0,0|1,0,0]=3 3784 B13R1.4031 CCNc1cc(c(c(c1)Cl)OC)Cl b5e001934e568b194760d4d798a0c612 [0,2,0,0,0,0|1,0,0]=3 3785 B13R1.4031 CCNc1cc(c(c(c1)Cl)OC)F 7819d562086f0a1f8790c6a027ea2d73 [0,2,0,0,0,0|1,0,0]=3 3786 B13R1.4031 CCNc1cc(c(c(c1)F)OC)F c8414e6535765cb3813bd52a90405fe4 [0,2,0,0,0,0|1,0,0]=3 3787 B13R1.4031 CCOc1cc(c(c(c1)C)OC)C d50db10665f0465d454dd116d05b83a0 [0,2,0,0,0,0|1,0,0]=3 3788 B13R1.4031 CCOc1cc(c(c(c1)C)SC)C 56da9b3f857b87790962032b109b3743 [0,2,0,0,0,0|1,1,0]=4 3789 B13R1.4031 CCOc1cc(c(c(c1)Cl)OC)Cl a0f617f313de211034458f04ec2bbe93 [0,2,0,0,0,0|1,0,0]=3 3790 B13R1.4031 CCOc1cc(c(c(c1)Cl)OC)F 3b6b43b93ced9eaf0458514fbe3ec08e [0,2,0,0,0,0|1,0,0]=3 3791 B13R1.4031 CCOc1cc(c(c(c1)F)OC)F 0209bf4a34b0d98bab43d47ba017ccbf [0,2,0,0,0,0|1,0,0]=3 3792 B13R1.4031 CCOc1cc(c(c(c1)F)SC)F aef0ad746e26ccc0d769c88f375c88ff [0,2,0,0,0,0|1,1,0]=4 3793 B13R1.4031 COc1c(cc(cc1Br)NCF)Br 14474cd1810eae5091d90c84b3dc951c [0,2,0,0,0,0|2,0,0]=4 3794 B13R1.4031 COc1c(cc(cc1Br)NCF)C e52e21d89930b42ed242baffd37131a0 [0,2,0,0,0,0|2,0,0]=4 3795 B13R1.4031 COc1c(cc(cc1Br)NCF)Cl 17e103eed4749a740ffb9c2ac43f2686 [0,2,0,0,0,0|2,0,0]=4 3796 B13R1.4031 COc1c(cc(cc1Br)NCF)F b9afede04650d46749acc7ab0b061f16 [0,2,0,0,0,0|2,0,0]=4 3797 B13R1.4031 COc1c(cc(cc1Br)NCO)Br d6d382203318034fc03b3976da6ce9b4 [0,2,0,0,0,0|2,0,0]=4 3798 B13R1.4031 COc1c(cc(cc1Br)NCO)C af22ee7d3664f6fc0984bd1c41e1f392 [0,2,0,0,0,0|2,0,0]=4 3799 B13R1.4031 COc1c(cc(cc1Br)NCO)Cl cdc70eb1279d8a071491654499a766fc [0,2,0,0,0,0|2,0,0]=4 3800 B13R1.4031 COc1c(cc(cc1Br)NCO)F 46197ee99a254788297c6c5f4c17681c [0,2,0,0,0,0|2,0,0]=4 3801 B13R1.4031 COc1c(cc(cc1C)NCF)C 82964a6432aa95b5197a9897cc5745d7 [0,2,0,0,0,0|2,0,0]=4 3802 B13R1.4031 COc1c(cc(cc1C)NCO)C ae64b1878985d2d716f5b29504af7e00 [0,2,0,0,0,0|2,0,0]=4 3803 B13R1.4031 COc1c(cc(cc1C)OCF)C 36c5e1df490136147d59fd3ec6723b63 [0,2,0,0,0,0|2,0,0]=4 3804 B13R1.4031 COc1c(cc(cc1Cl)NCF)Cl ee565e9ec83f0401aa5d56087ed336ec [0,2,0,0,0,0|2,0,0]=4 3805 B13R1.4031 COc1c(cc(cc1Cl)NCF)F 62074546a70e579a515b3c21b2f91531 [0,2,0,0,0,0|2,0,0]=4 3806 B13R1.4031 COc1c(cc(cc1Cl)NCO)Cl e38be37163d956cb0c053c1363b59f65 [0,2,0,0,0,0|2,0,0]=4 3807 B13R1.4031 COc1c(cc(cc1Cl)NCO)F 305003b7de82f7d5a1b3e46e433cc9f5 [0,2,0,0,0,0|2,0,0]=4 3808 B13R1.4031 COc1c(cc(cc1Cl)OCF)Cl a1bf9c0e57758936091a39186cc9125e [0,2,0,0,0,0|2,0,0]=4 3809 B13R1.4031 COc1c(cc(cc1Cl)OCF)F a3a1b1ef10d63b58142df6378fa5b764 [0,2,0,0,0,0|2,0,0]=4 3810 B13R1.4031 COc1c(cc(cc1F)NCF)F ead61dc09010efae3f66f55010396480 [0,2,0,0,0,0|2,0,0]=4 3811 B13R1.4031 COc1c(cc(cc1F)NCO)F d07af9691e12f02c3214225fd65c94ae [0,2,0,0,0,0|2,0,0]=4 3812 B13R1.4031 COc1c(cc(cc1F)OCF)F d437266becd60a89c464ba9f6f2b4173 [0,2,0,0,0,0|2,0,0]=4 3813 B13R2.184 C=Cc1ccc(cc1)NC2CC2 f0ed6410b14ec2f5108d7802d3e5b0a0 [0,1,0,1,0,0|1,0,1]=4 3814 B13R2.184 C=Cc1ccc(cc1)OC2CC2 fc7742cea7e0d2e17389fa4147491599 [0,1,0,1,0,0|1,0,1]=4 3815 B13R2.184 CCc1ccc(cn1)NC2CC2 cc245ab494a9e187c4d1b08e3bb82247 [0,1,0,1,0,0|2,0,0]=4 3816 B13R2.184 COc1ccc(cc1)NC2CC2 8a60685a02cd74a57f4131823848e1a7 [0,1,0,1,0,0|0,0,0]=2 3817 B13R2.184 COc1ccc(cc1)OC2CC2 32ae0b830a81575e6ad6b82b001de835 [0,1,0,1,0,0|0,0,0]=2 3818 B13R2.184 COc1ccc(nc1)NC2CC2 c13fa040e2497f4d41200c7b71f6bb3c [0,1,0,1,0,0|1,0,0]=3 3819 B13R2.184 COc1ccc(nc1)OC2CC2 d17128219e58eb93e6803680526f6b9e [0,1,0,1,0,0|1,0,0]=3 3820 B13R2.184 COc1cnc(nc1)NC2CC2 d151b87908fcb6d3e2dadc7d930f011e [0,1,0,1,0,0|2,0,0]=4 3821 B13R2.184 CSc1ccc(cn1)OC2CC2 3df354497c8af8447d12ac0c3ee71853 [0,1,0,1,0,0|1,1,0]=4 3822 B13R2.184 O=Cc1ccc(cc1)NC2CC2 f2e0060be359d1303c2c58d21098c3c4 [0,1,0,1,0,0|2,0,0]=4 3823 B13R2.184 O=Cc1ccc(cc1)OC2CC2 ed923a70e89e60f0ec478f0c884fcc07 [0,1,0,1,0,0|2,0,0]=4 3824 B13R2.1279 CC(C)Nc1ccc2c(c1)CC2 753a6311546bf17206a5abf400f5bee0 [0,1,0,1,0,0|2,0,0]=4 3825 B13R2.467 CCCNc1ccc2c(c1)CC2 4e38ae65dfaabea6a0458494dc335992 [0,1,0,1,0,0|1,0,0]=3 3826 B13R2.467 CCOCc1ccc2c(c1)CC2 6d158e057dd3bf0c109d779ca7209d25 [0,1,0,1,0,0|1,0,0]=3 3827 B13R2.467 COCNc1ccc2c(c1)CC2 7a03d19cb08e7123933759869f57b201 [0,1,0,1,0,0|2,0,0]=4 3828 B13R2.467 CSCNc1ccc2c(c1)CC2 9393a8d6348408abce00edfc20f050df [0,1,0,1,0,0|2,0,0]=4 3829 B13R2.467 FCCNc1ccc2c(c1)CC2 f235de3c599c598c32e759ccc4a44ab9 [0,1,0,1,0,0|2,0,0]=4 3830 B13R2.467 FCOCc1ccc2c(c1)CC2 ef98f723cbeca8dac278e621ddcf7146 [0,1,0,1,0,0|2,0,0]=4 3831 B13R2.467 OCCNc1ccc2c(c1)CC2 3a1ccfa8547ea9d3c94723f5bb74993e [0,1,0,1,0,0|2,0,0]=4 3832 B13R2.467 SCCNc1ccc2c(c1)CC2 7a0b9deaa23de3a3c29713073ab0d596 [0,1,0,1,0,0|2,0,0]=4 3833 B13R2.60 CCNc1ccc(cc1)C2CC2 e9bf454f2bdc74a028c10d3ba810057e [0,1,0,1,0,0|1,0,0]=3 3834 B13R2.60 CCNc1ccc(cn1)C2CC2 7925eee38f2fadafe2c563dbd26a8fcf [0,1,0,1,0,0|2,0,0]=4 3835 B13R2.60 CCNc1ccc(nc1)C2CC2 dd3c89299ccb584e006310d7873867a0 [0,1,0,1,0,0|2,0,0]=4 3836 B13R2.60 CCOc1ccc(cc1)C2CC2 0d73b61ea3ec429f7b035cbd1c203358 [0,1,0,1,0,0|0,0,0]=2 3837 B13R2.60 CCOc1ccc(cn1)C2CC2 dead4cedca59215d3a01a3dd3d486b08 [0,1,0,1,0,0|1,0,0]=3 3838 B13R2.60 CCOc1cnc(nc1)C2CC2 ffe19bfefd99eb1d939289dfff164352 [0,1,0,1,0,0|2,0,0]=4 3839 B13R2.60 FCNc1ccc(cc1)C2CC2 9325aa1b2446f524a7f752ba73689d68 [0,1,0,1,0,0|1,0,0]=3 3840 B13R2.60 FCNc1ccc(cn1)C2CC2 97ed4e4b6332e340e205211a0d209a89 [0,1,0,1,0,0|2,0,0]=4 3841 B13R2.60 FCNc1ccc(nc1)C2CC2 9ed45c94ba2af83885562f3ca5a20772 [0,1,0,1,0,0|2,0,0]=4 3842 B13R2.60 FCOc1ccc(cc1)C2CC2 1acf634f051d08f7c9a5fb845916d921 [0,1,0,1,0,0|0,0,0]=2 3843 B13R2.60 FCOc1ccc(cn1)C2CC2 8cc2e897b18076b5b0d65cccd1502a15 [0,1,0,1,0,0|1,0,0]=3 3844 B13R2.60 FCOc1cnc(nc1)C2CC2 35837b7165b4dc2f3cea5fdb6779c69a [0,1,0,1,0,0|2,0,0]=4 3845 B13R2.60 O=CNc1ccc(cc1)C2CC2 7e82816d12dc8aaad4e943b69c8fe90e [0,1,0,1,0,0|1,0,1]=4 3846 B13R2.60 OCNc1ccc(cc1)C2CC2 c3e2ff2164a3d78ef3cea7936172ccaa [0,1,0,1,0,0|1,0,0]=3 3847 B13R2.60 OCNc1ccc(cn1)C2CC2 bf1bee271843f0ee97292ffc8f447ef7 [0,1,0,1,0,0|2,0,0]=4 3848 B13R2.60 OCNc1ccc(nc1)C2CC2 d2c0c33442f46dc4577587bb0831f907 [0,1,0,1,0,0|2,0,0]=4 3849 B13R2.449 CCNc1ccc2c(c1)CCC2 f2a5206106d5728d658852dd0fd752f9 [0,1,0,1,0,0|1,0,0]=3 3850 B13R2.449 CCNc1ccc2c(c1)CCO2 e89f269b008d059d5d75e9817de0f5e6 [0,1,0,1,0,0|1,0,0]=3 3851 B13R2.449 CCNc1ccc2c(c1)COC2 e768c6187c5a61018f53692fc6aeeab2 [0,1,0,1,0,0|1,0,0]=3 3852 B13R2.449 CCNc1ccc2c(c1)OCC2 e485b6f53c8fa35c53665bd529eb5bb8 [0,1,0,1,0,0|2,0,0]=4 3853 B13R2.449 CCNc1ccc2c(n1)CCC2 e186855fc72d2150cf238c4ad5fb3ad5 [0,1,0,1,0,0|2,0,0]=4 3854 B13R2.449 CCNc1ccc2c(n1)CCO2 a50cb939e5deeffd035a6ce86f5f074e [0,1,0,1,0,0|2,0,0]=4 3855 B13R2.449 CCNc1ccc2nonc2c1 44b4b31f33ae9899b763d9933f77d13d [0,1,0,1,0,0|2,0,0]=4 3856 B13R2.449 CCNc1ccc2occc2c1 359a1fd0627b6e4e537b62b306e0515c [0,1,0,1,0,0|1,0,1]=4 3857 B13R2.449 CCNc1ccc2ocnc2c1 a6e3824d198bda40072858f070c24ce0 [0,1,0,1,0,0|1,0,1]=4 3858 B13R2.449 CCNc1ccc2oncc2c1 0431b0730003ecc9a618025dd51e9ba4 [0,1,0,1,0,0|1,0,1]=4 3859 B13R2.449 CCNc1cnc2c(c1)CCC2 05177f5e88af07246d2c1a405541dfcd [0,1,0,1,0,0|2,0,0]=4 3860 B13R2.449 CCNc1cnc2c(c1)CCO2 0227f404b3fcde6047839497b51f5934 [0,1,0,1,0,0|2,0,0]=4 3861 B13R2.449 CCNc1cnc2c(c1)COC2 f53152d239cdff65220930ffb6f627f4 [0,1,0,1,0,0|2,0,0]=4 3862 B13R2.449 CCOc1ccc2c(c1)CCC2 0a5df21aeeed3c7843a3b862767ec57f [0,1,0,1,0,0|0,0,0]=2 3863 B13R2.449 CCOc1ccc2c(c1)CCO2 c06b4d2ad092c55b94c0a9d30e314da5 [0,1,0,1,0,0|1,0,0]=3 3864 B13R2.449 CCOc1ccc2c(c1)COC2 7c3d6e38cb32e6508c349f39d7543cd5 [0,1,0,1,0,0|1,0,0]=3 3865 B13R2.449 CCOc1ccc2c(c1)OCC2 e3c3f04f1a53e0497e593e6e112acfdf [0,1,0,1,0,0|1,0,0]=3 3866 B13R2.449 CCOc1ccc2c(n1)CCC2 723a7ccc2db40ca7daaf49a6582acc78 [0,1,0,1,0,0|1,0,0]=3 3867 B13R2.449 CCOc1ccc2nonc2c1 d6003667939642b4c03fed0e1a427fb8 [0,1,0,1,0,0|2,0,0]=4 3868 B13R2.449 CCOc1ccc2occc2c1 22de7e286305b33af32c37453456a3dc [0,1,0,1,0,0|1,0,1]=4 3869 B13R2.449 CCOc1ccc2ocnc2c1 13ef6944b5f29dfd8d9599630c2b6b53 [0,1,0,1,0,0|1,0,1]=4 3870 B13R2.449 CCOc1cnc2c(c1)COC2 06a0218aea43ad330350c4a63edd4572 [0,1,0,1,0,0|2,0,0]=4 3871 B13R2.449 FCNc1ccc2c(c1)CCC2 e78b301e7fa559830ea7d2498c6bf9d9 [0,1,0,1,0,0|1,0,0]=3 3872 B13R2.449 FCNc1ccc2c(c1)CCO2 3271a6fb14c3129b32d1c678de125313 [0,1,0,1,0,0|2,0,0]=4 3873 B13R2.449 FCNc1ccc2c(c1)COC2 74b1dca1955761be6447b14a9eb3d805 [0,1,0,1,0,0|2,0,0]=4 3874 B13R2.449 FCNc1ccc2c(c1)OCC2 a0c1c2646e8d61eb8819f80661c2f641 [0,1,0,1,0,0|2,0,0]=4 3875 B13R2.449 FCNc1ccc2c(n1)CCC2 5d0d0401c9de70913adce711dc482a40 [0,1,0,1,0,0|2,0,0]=4 3876 B13R2.449 FCNc1cnc2c(c1)CCC2 b04478ab2ecfc1da57d99cd84a61eddc [0,1,0,1,0,0|2,0,0]=4 3877 B13R2.449 FCOc1ccc2c(c1)CCC2 18103550d5f33783acd6ede5c2436466 [0,1,0,1,0,0|0,0,0]=2 3878 B13R2.449 FCOc1ccc2c(c1)CCO2 58a21b4fad7c05b4af4bff0f8b7a5794 [0,1,0,1,0,0|1,0,0]=3 3879 B13R2.449 FCOc1ccc2c(c1)COC2 453ee1f75f710c72adf4c730489be3cf [0,1,0,1,0,0|1,0,0]=3 3880 B13R2.449 FCOc1ccc2c(c1)OCC2 9ef7cec2c299612b1026904918057cce [0,1,0,1,0,0|1,0,0]=3 3881 B13R2.449 FCOc1ccc2c(n1)CCC2 8b6599cfaa9444b103f5e8f87eb57ec1 [0,1,0,1,0,0|1,0,0]=3 3882 B13R2.449 FCOc1cnc2c(c1)COC2 e4d2db260d823f11c68fdfce1cc28569 [0,1,0,1,0,0|2,0,0]=4 3883 B13R2.449 O=CNc1ccc2c(c1)CCC2 01f39accb4aff1e88b304c693e7b8291 [0,1,0,1,0,0|1,0,1]=4 3884 B13R2.449 OCNc1ccc2c(c1)CCC2 5ffa637b8a27229f13af8b218af16e32 [0,1,0,1,0,0|1,0,0]=3 3885 B13R2.449 OCNc1ccc2c(c1)CCO2 0137edd594548c22bb9f412b79801399 [0,1,0,1,0,0|2,0,0]=4 3886 B13R2.449 OCNc1ccc2c(c1)COC2 afd6c6b8c6f17efb6e37207afb9e205a [0,1,0,1,0,0|2,0,0]=4 3887 B13R2.449 OCNc1ccc2c(c1)OCC2 9a45ac2ffcc0f0771e3a0458e1c3572b [0,1,0,1,0,0|2,0,0]=4 3888 B13R2.449 OCNc1ccc2c(n1)CCC2 581e5b7977884a6f70f79e6b188e9e5b [0,1,0,1,0,0|2,0,0]=4 3889 B13R2.449 OCNc1cnc2c(c1)CCC2 126c01366a964b3206188420b2bd215d [0,1,0,1,0,0|2,0,0]=4 3890 B9R1.7 CCNc1ccc(s1)C 6cc2b61cb21c538e8a3c4748615dc171 [1,0,0,0,1,0|2,0,0]=4 3891 B9R1.7 CCOc1cc(cs1)C f83ac452101022897e1afe49252bc0a6 [1,0,0,0,1,0|2,0,0]=4