0 B11R1.83 C#Cc1ccc(cc1)NC=O 95370e205b84943a487b32541a22dd96 [0,1,0,0,0,0|0,0,2]=3 1 B11R1.83 C#Cc1ccc(cc1)NCC fcc2f797143393a826235cab51016e1d [0,1,0,0,0,0|1,0,1]=3 2 B11R1.83 C#Cc1ccc(cc1)NCF 8acf2fe17a846fc863343c0fcd296756 [0,1,0,0,0,0|2,0,1]=4 3 B11R1.83 C#Cc1ccc(cc1)NCO 3d10c20a6b1713d8b2b199c513c3821e [0,1,0,0,0,0|2,0,1]=4 4 B11R1.83 C#Cc1ccc(cc1)OCC 7605fc1756b7b37617def1215e5772aa [0,1,0,0,0,0|1,0,1]=3 5 B11R1.83 C#Cc1ccc(cc1)OCF aee315f803dafc5530067ae9183b1e0d [0,1,0,0,0,0|2,0,1]=4 6 B11R1.83 C#Cc1ccc(cn1)NC=O 757ef5b5dafbc31d5cba37db42225493 [0,1,0,0,0,0|1,0,2]=4 7 B11R1.83 C#Cc1ccc(cn1)NCC b48f6d0500c1473545d62653eaeca02a [0,1,0,0,0,0|2,0,1]=4 8 B11R1.83 C#Cc1ccc(nc1)NCC a8d5161e9e45130cc8c07c6910a92c22 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.83 C#Cc1ccc(nc1)OCC a912c525867d50c0edf1252809763398 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.83 C=Cc1ccc(cc1)NCC 817ec74810f825a0e36709628dff4396 [0,1,0,0,0,0|1,0,0]=2 11 B11R1.83 C=Cc1ccc(cc1)NCF 0a4b6dd3c2bcc6ff056575d646b45479 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.83 C=Cc1ccc(cc1)NCO 38b24d34161eea2db824a391ffef5464 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.83 C=Cc1ccc(cc1)OCC 2dfc252e05f2c69f9afd57ad07934f94 [0,1,0,0,0,0|1,0,0]=2 14 B11R1.83 C=Cc1ccc(cc1)OCF 1caa6521b77ee34492a62573e025620c [0,1,0,0,0,0|2,0,0]=3 15 B11R1.83 C=Cc1ccc(nc1)NCC 38b06eabaa1490c709e67ef96f75cf12 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.83 C=Cc1ccc(nc1)NCF 52685da0a86456e01f8fb71a0dc0b6c7 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.83 C=Cc1ccc(nc1)NCO 50082f71b9e60774e6a4f0659d3b1b3b [0,1,0,0,0,0|3,0,0]=4 18 B11R1.83 C=Cc1cnc(nc1)NCC afdd5bb13282ac2192f0934089d33a33 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.83 CCNc1ccc(cc1)C#N d464195f47e6ee547243ae4d17a8adf2 [0,1,0,0,0,0|1,0,1]=3 20 B11R1.83 CCNc1ccc(cc1)C=O 5b1da36ecdd403f54386923bf3cd85f6 [0,1,0,0,0,0|0,0,0]=1 21 B11R1.83 CCNc1ccc(cc1)CC 6ead712ee50631311185c30d29cb552f [0,1,0,0,0,0|1,0,1]=3 22 B11R1.83 CCNc1ccc(cc1)CO ebf5cabcdccf03d422420491e8a9bb88 [0,1,0,0,0,0|0,0,2]=3 23 B11R1.83 CCNc1ccc(cc1)OC a4b97f177bf546e094eec7eb3e7f66dd [0,1,0,0,0,0|2,0,0]=3 24 B11R1.83 CCNc1ccc(cc1)SC 2ca52da4c1da9cde62caa1a44419ff80 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.83 CCNc1ccc(cn1)C#N b4d0af44e32af244fde054f16cbf16e6 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.83 CCNc1ccc(cn1)C=O dd4312795d8088c2d75d58fa4a7fbc09 [0,1,0,0,0,0|1,0,0]=2 27 B11R1.83 CCNc1ccc(cn1)CC cad7e7c9618f49cd6e892139204329fd [0,1,0,0,0,0|2,0,1]=4 28 B11R1.83 CCNc1ccc(cn1)CCl bad0456b7ad899482cd7abdb1d9f5c14 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.83 CCNc1ccc(cn1)CO b2ef5ebdae0d4db3d201310de7a4fabc [0,1,0,0,0,0|1,0,2]=4 30 B11R1.83 CCNc1ccc(cn1)OC c44cfeb78976afe80be2656977c9bd4f [0,1,0,0,0,0|3,0,0]=4 31 B11R1.83 CCNc1ccc(nc1)C#N 7bdef527cd53c10e5e168407ba8e41d7 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.83 CCNc1ccc(nc1)C=O e9ae26db13ed7f812a2c4aa039ca3f6c [0,1,0,0,0,0|1,0,0]=2 33 B11R1.83 CCNc1ccc(nc1)CC ed0545ed4f0e08858b4cafb53becfa48 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.83 CCNc1ccc(nc1)CO 32decdece1ae877da592fbfd6271fbb9 [0,1,0,0,0,0|1,0,2]=4 35 B11R1.83 CCNc1ccc(nc1)OC f4d105155d62bf756f43e6962da94cad [0,1,0,0,0,0|3,0,0]=4 36 B11R1.83 CCNc1ccc(nc1)SC e4f4528d7c9516b9369a516dc3c25bff [0,1,0,0,0,0|3,0,0]=4 37 B11R1.83 CCNc1cnc(cn1)C=O 453fe06af65607cc6c41deed5c412d94 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.83 CCNc1ncc(cn1)C=O 583d2a6d5769f6435b4c5bc3ed719aed [0,1,0,0,0,0|2,0,0]=3 39 B11R1.83 CCOc1ccc(cc1)C#N 9b013ab74d3621a0af682769151817d3 [0,1,0,0,0,0|1,0,1]=3 40 B11R1.83 CCOc1ccc(cc1)C=O a91e11e6046c836fde6a9c8c50bcee5f [0,1,0,0,0,0|0,0,0]=1 41 B11R1.83 CCOc1ccc(cc1)CC 130be86bb5623a5d2837998dae082a29 [0,1,0,0,0,0|1,0,1]=3 42 B11R1.83 CCOc1ccc(cc1)N=O 225b842c68d4b1757d171cfe2fef0d02 [0,1,0,0,0,0|1,0,0]=2 43 B11R1.83 CCOc1ccc(cc1)OC 78aacf22e7f5ffe52b6720f42ae387fa [0,1,0,0,0,0|2,0,0]=3 44 B11R1.83 CCOc1ccc(cc1)SC 5d7f5467819db3ffd93e8fef63951787 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.83 CCOc1ccc(cn1)C#N 80958719ab89ca438777f7f342100b12 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.83 CCOc1ccc(cn1)C=O 3b8b64fa974f689fe9a33594fdaa0596 [0,1,0,0,0,0|1,0,0]=2 47 B11R1.83 CCOc1ccc(cn1)CC 6d51854703469b0768698f622026110f [0,1,0,0,0,0|2,0,1]=4 48 B11R1.83 CCOc1ccc(cn1)OC 317a1dd4ab9e793923d1d905a3d1d440 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.83 CCOc1ccc(nc1)C#N 6c570cf21a413fd4c6ff19c3a676637f [0,1,0,0,0,0|2,0,1]=4 50 B11R1.83 CCOc1ccc(nc1)C=O 202597c6655fff3a69ca3db66d69956a [0,1,0,0,0,0|1,0,0]=2 51 B11R1.83 CCOc1ccc(nc1)OC 2366f122826286c6a23f77bfc0704bc4 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.83 CCOc1ccc(nc1)SC b9a09235c2254d468c46a6675ec10ee5 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.83 CCOc1ccc(nn1)C=O 4e29dcecb02e5059f2afcc4239a5eefc [0,1,0,0,0,0|2,0,0]=3 54 B11R1.83 CCOc1ncc(cn1)C=O 41202a4922bca945b17b16afac38237d [0,1,0,0,0,0|2,0,0]=3 55 B11R1.83 CCc1ccc(cc1)NC=O 3e8610d99c2c76fe0a620af2485f9af7 [0,1,0,0,0,0|0,0,0]=1 56 B11R1.83 CCc1ccc(cc1)NCF 85d93b0251dae4defb6a8b0684fd5c6f [0,1,0,0,0,0|1,0,1]=3 57 B11R1.83 CCc1ccc(cc1)NCO 2632ca5f43af05f14260cfd180617e8c [0,1,0,0,0,0|0,0,2]=3 58 B11R1.83 CCc1ccc(cc1)OCF 7fda0752555f0e54fed3e99d547f54fb [0,1,0,0,0,0|1,0,1]=3 59 B11R1.83 CCc1ccc(cn1)NC=O 27d6453a5d8b728429751b40bd51b8df [0,1,0,0,0,0|1,0,0]=2 60 B11R1.83 CCc1ccc(cn1)NCF 2b56b1fb3fc804f38846165e0b665a1b [0,1,0,0,0,0|2,0,1]=4 61 B11R1.83 CCc1ccc(cn1)NCO 448fbb26d918def19bd5ebe6d2b8ebd4 [0,1,0,0,0,0|1,0,2]=4 62 B11R1.83 CCc1ccc(nc1)NC=O 18bf2d8c4741781967fd58d448623b4c [0,1,0,0,0,0|1,0,0]=2 63 B11R1.83 CCc1ccc(nc1)NCF 9b543f9050432152c7334595206f4e4d [0,1,0,0,0,0|2,0,1]=4 64 B11R1.83 CCc1ccc(nc1)NCO 6bf6c4251ee472cd6e4171fe1ed438f7 [0,1,0,0,0,0|1,0,2]=4 65 B11R1.83 CCc1ccc(nc1)OCF 6eb78db6499845fb8aaa997c84af7389 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.83 CCc1ccc(nn1)NC=O 47e5131be12998513a3b46b608e58bfa [0,1,0,0,0,0|2,0,0]=3 67 B11R1.83 CCc1cnc(cn1)NC=O 9a0c80736b8d7fc82f28578339dc28d0 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.83 CCc1ncc(cn1)NC=O 6741a10ac312f345a4ecadc565e3d4cd [0,1,0,0,0,0|2,0,0]=3 69 B11R1.83 COc1ccc(cc1)NC=O ac87369c17c8363b04f17408dd3a8237 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.83 COc1ccc(cc1)NCF d45382bc213abd913ca6658bada7be75 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.83 COc1ccc(cc1)NCO d05625bdde7ec9fe93b3548602d63490 [0,1,0,0,0,0|1,0,2]=4 72 B11R1.83 COc1ccc(cc1)OCF c57197c0057f1929b85da0b4d46da439 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.83 COc1ccc(cn1)NC=O d82d033ac2ee0dd752f2c90ad770ea29 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.83 COc1ccc(nc1)NC=O bf678dc9ba2fd7220284555df5bbb75b [0,1,0,0,0,0|2,0,0]=3 75 B11R1.83 COc1ccc(nn1)NC=O d57c50af40efbef5fe028e399ecea178 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.83 COc1cnc(cn1)NC=O 18dcf3661b6cc15273eda845f3605595 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.83 CSc1ccc(cc1)NC=O 9ba6c9bfa858e9ab1b1e9ea1b6cf97ce [0,1,0,0,0,0|1,0,0]=2 78 B11R1.83 CSc1ccc(cc1)NCF ccdeb19563ab831152cacec8a4c44c6e [0,1,0,0,0,0|2,0,1]=4 79 B11R1.83 CSc1ccc(cc1)NCO 61331800f1d8bc8bf7eb6fb9ed195143 [0,1,0,0,0,0|1,0,2]=4 80 B11R1.83 CSc1ccc(cc1)OCF e48244d1e7ba47db5989fabc9a3a04ba [0,1,0,0,0,0|2,0,1]=4 81 B11R1.83 CSc1ccc(cn1)NC=O 0995d7efa9e1a7f8f39f3d0d10cb504d [0,1,0,0,0,0|2,0,0]=3 82 B11R1.83 CSc1cnc(cn1)NC=O 78e67b1f7a41d510d431862e48b13875 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.83 CSc1ncc(cn1)NC=O b597c5a96f9b02d1cf50632c5ed53414 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.83 N#Cc1ccc(cc1)NCF a26c49ae1ca77d92ac427b1103d9b4da [0,1,0,0,0,0|2,0,1]=4 85 B11R1.83 N#Cc1ccc(cc1)NCO 8aa8cbbcf93221243fa8bcf461b6f0af [0,1,0,0,0,0|2,0,1]=4 86 B11R1.83 N#Cc1ccc(cc1)OCF bcd0ae2cb5810bd40e4bba884acde04f [0,1,0,0,0,0|2,0,1]=4 87 B11R1.83 N#Cc1ccc(cn1)NC=O 61e3e815546a3efd8163c67dada3dc4b [0,1,0,0,0,0|2,0,1]=4 88 B11R1.83 O=CNc1ccc(cc1)CO 02da734ee2802902e3cce3607911d666 [0,1,0,0,0,0|1,0,0]=2 89 B11R1.83 O=CNc1ccc(cn1)CCl 9296d0909f463187b48ad98b7c3d8231 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.83 O=CNc1ccc(cn1)CO 798f2a5c2637fd89722810ea7cd1c1d7 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.83 O=CNc1ccc(nc1)C=O 689a2f10765d3e5001b632e5d99c0461 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.83 O=CNc1ccc(nc1)CO 2a68fa0e6cda46daf7160f28e3062865 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.83 O=CNc1cnc(cn1)CO e78d75a171072ab3915b955e65b285b5 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.83 O=CNc1cnc(nc1)CO e53ed8dbcf43feb083a1b9b40a9335a4 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.83 O=Cc1ccc(cc1)NCF 6e9507808f661692c4995ce01d7149d7 [0,1,0,0,0,0|1,0,0]=2 96 B11R1.83 O=Cc1ccc(cc1)NCO 5d1b19988396e75b9401946c178d10c0 [0,1,0,0,0,0|1,0,0]=2 97 B11R1.83 O=Cc1ccc(cc1)OCF 1650bb97f47d4d35a5c8149a03d0d3f8 [0,1,0,0,0,0|1,0,0]=2 98 B11R1.83 O=Cc1ccc(cn1)NCF 72bc126bbd4bfcffb3b226662f3e38c0 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.83 O=Cc1ccc(cn1)NCO 788d6f4633f44c97a001f4d759d59a7c [0,1,0,0,0,0|2,0,0]=3 100 B11R1.83 O=Cc1ccc(cn1)OCF c94a6b209178c693c56e3e32144380b4 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.83 O=Cc1ccc(nc1)NCF f1bfde05b648245a2d8978d1a14a3f7a [0,1,0,0,0,0|2,0,0]=3 102 B11R1.83 O=Cc1ccc(nc1)NCO 7224f6f28fcf8d6ba77bb1da54e1ed73 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.83 O=Cc1ccc(nc1)OCF 10cafffee4c0f03191e10584fbcd9110 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.83 O=Cc1ccc(nn1)OCF 8023d036d6e772af3543aa1f2257f039 [0,1,0,0,0,0|3,0,0]=4 105 B11R1.83 O=Cc1cnc(cn1)NCF 7b480f37026445bef475024df4134b08 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.83 O=Cc1cnc(cn1)NCO d72de2d95bed596c8d79bca0b7ee81b4 [0,1,0,0,0,0|3,0,0]=4 107 B11R1.83 O=Cc1cnc(nc1)NCF e3dd8d533ecef88d0b7f774b889ae96d [0,1,0,0,0,0|3,0,0]=4 108 B11R1.83 O=Cc1cnc(nc1)NCO 6381accd90e3d7b791aa5bff80895294 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.83 O=Cc1cnc(nc1)OCF cea295a9d67048c5cfc9951328f365b5 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.83 O=Nc1ccc(cc1)OCF 4703797660d3f0cf5ebd83d127a70814 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.83 OCNc1ccc(cc1)CO 06500d7c83368639569a416a5b107792 [0,1,0,0,0,0|1,0,2]=4 112 B11R1.83 OCc1ccc(cc1)NCF 218f158d350783ab9345a7da23e59114 [0,1,0,0,0,0|1,0,2]=4 113 B9R0.24 C=C(C=O)OCC(=C)OC 98831279f5e088d70f197796d78f1ec1 [0,0,1,0,0,0|2,0,1]=4 114 B9R0.24 C=C(C=O)OCC(=O)CC 7d7578d425fd1809e6758aaf3e6015f0 [0,0,1,0,0,0|2,0,1]=4 115 B9R0.24 C=C(CC)COC(=C)C=O 5c18cade9a1def0b3423eb7521b89d38 [0,0,1,0,0,0|1,0,1]=3 116 B8R0.9 C=C(C)COC(=C)C=O 0f34183f4535f8f67393cd2e0fb0f88e [1,0,1,0,0,0|1,0,1]=4 117 B10R1.1 CCNc1ccc(=O)[nH]c1 cda5f6466914b9089a8f399c4d41b9f1 [1,1,0,0,0,0|1,0,0]=3 118 B10R1.1 CCNc1ccc(cc1)Br e7368b650d842df07f1a9668bf0b4031 [1,1,0,0,0,0|1,0,0]=3 119 B10R1.1 CCNc1ccc(cc1)C 5bd280a2c0e051bd626f67ade06cc665 [1,1,0,0,0,0|0,0,1]=3 120 B10R1.1 CCNc1ccc(cc1)Cl 78a77ff2de1029463881d0096e3c40b4 [1,1,0,0,0,0|1,0,0]=3 121 B10R1.1 CCNc1ccc(cc1)F 7245e23faec7214139cc638d5d7041df [1,1,0,0,0,0|1,0,0]=3 122 B10R1.1 CCNc1ccc(cc1)I 08dbf719260fe2b9101a362dcb5b3f5c [1,1,0,0,0,0|1,0,0]=3 123 B10R1.1 CCNc1ccc(cc1)S d391e984cf82ddd3585ab73e3af8af78 [1,1,0,0,0,0|0,1,0]=3 124 B10R1.1 CCNc1ccc(cn1)Br 639f883e838120d440c275f266387630 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.1 CCNc1ccc(cn1)C fb256d19526c3e4e7db09097bf1226ae [1,1,0,0,0,0|1,0,1]=4 126 B10R1.1 CCNc1ccc(cn1)Cl 86942235d68fec688c4d98a640636bda [1,1,0,0,0,0|2,0,0]=4 127 B10R1.1 CCNc1ccc(cn1)F bc6bc6f1cc565acba301cdb52762e02f [1,1,0,0,0,0|2,0,0]=4 128 B10R1.1 CCNc1ccc(cn1)I 52b76d004d4ec36a1450a88eb15ee235 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.1 CCNc1ccc(nc1)Br 59c1c575d4cf738922707e4ac33945e2 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.1 CCNc1ccc(nc1)C c6a305032b477973c3c3fbf0a9e4e681 [1,1,0,0,0,0|1,0,1]=4 131 B10R1.1 CCNc1ccc(nc1)Cl a3742bd50e5ddc0bb8d9bcc0351dba6f [1,1,0,0,0,0|2,0,0]=4 132 B10R1.1 CCNc1ccc(nc1)F 1c8d0a2e7c3ebc9b796eced21d4d67da [1,1,0,0,0,0|2,0,0]=4 133 B10R1.1 CCNc1ccc(nc1)I b055045d2de39aafb4b6d6710f7ae0e8 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.1 CCNc1cnc(=O)[nH]c1 8ff4830f2b9c404e1f8152e288d7f2ab [1,1,0,0,0,0|2,0,0]=4 135 B10R1.1 CCOc1ccc(cc1)Br 0e76a95a836dd2981a43d0b194227fd8 [1,1,0,0,0,0|1,0,0]=3 136 B10R1.1 CCOc1ccc(cc1)C 26efd14f9e8649940b64cdf1b3738f1b [1,1,0,0,0,0|0,0,1]=3 137 B10R1.1 CCOc1ccc(cc1)Cl 945eb2c259d4cb8905c1789c25d510a9 [1,1,0,0,0,0|1,0,0]=3 138 B10R1.1 CCOc1ccc(cc1)F 5faab7d15ff0cf2f779560e4d5e7448c [1,1,0,0,0,0|1,0,0]=3 139 B10R1.1 CCOc1ccc(cc1)I 53aa34317b2540d22d9ec7de628cac3d [1,1,0,0,0,0|1,0,0]=3 140 B10R1.1 CCOc1ccc(cc1)S 99269a211e814d9abbdc09864e525389 [1,1,0,0,0,0|0,1,0]=3 141 B10R1.1 CCOc1ccc(cn1)C f777259bf4373954cda4bbb8405a47a2 [1,1,0,0,0,0|1,0,1]=4 142 B10R1.1 CCOc1ccc(cn1)Cl cd4f070a79f4939e7eca32fa7a8d0e7f [1,1,0,0,0,0|2,0,0]=4 143 B10R1.1 CCOc1ccc(cn1)F b50f8cb60dc9806fa9d9175eac7405e9 [1,1,0,0,0,0|2,0,0]=4 144 B10R1.1 CCOc1ccc(cn1)I 134eef0ef437844eb5a79430a3f4f022 [1,1,0,0,0,0|2,0,0]=4 145 B10R1.1 CCOc1ccc(nc1)Br bac9395e09cd94d673b47afe64f445de [1,1,0,0,0,0|2,0,0]=4 146 B10R1.1 CCOc1ccc(nc1)C a681f7f0cc1b45047bb455631f3beced [1,1,0,0,0,0|1,0,1]=4 147 B10R1.1 CCOc1ccc(nc1)Cl 1b78e4b95bbcd168fec166181ff52b61 [1,1,0,0,0,0|2,0,0]=4 148 B10R1.1 CCOc1ccc(nc1)F a0e05acc1f44f1bf919de4da94e9dd90 [1,1,0,0,0,0|2,0,0]=4 149 B10R1.1 CCOc1ccc(nc1)I 131dd3afd2712c4ddfbf28645dd95597 [1,1,0,0,0,0|2,0,0]=4 150 B10R1.1 Cc1ccc(cc1)NC=O 744bdaf803f21c7628c38778fb4c30d0 [1,1,0,0,0,0|0,0,0]=2 151 B10R1.1 Cc1ccc(cc1)NCF bc1e070a03926f4bf6c7312d5f79c7d7 [1,1,0,0,0,0|1,0,1]=4 152 B10R1.1 Cc1ccc(cc1)NCO 626a801ae48c57fa3fcbb53e76d595f1 [1,1,0,0,0,0|0,0,2]=4 153 B10R1.1 Cc1ccc(cc1)OCF 1ff33ac4ceb2cbf44a59770aa34ca71f [1,1,0,0,0,0|1,0,1]=4 154 B10R1.1 Cc1ccc(cn1)NC=O 489ceb64e1ca1dffde423b287e55343b [1,1,0,0,0,0|1,0,0]=3 155 B10R1.1 Cc1ccc(nc1)NC=O 787d7b6b5dd94952a200592a41c8b8b9 [1,1,0,0,0,0|1,0,0]=3 156 B10R1.1 Cc1ccc(nn1)NC=O a0c3d2b6c57084a347604d5a876b8f5b [1,1,0,0,0,0|2,0,0]=4 157 B10R1.1 Cc1cnc(cn1)NC=O e9e57b2c428d760f4b8aeaa154812af8 [1,1,0,0,0,0|2,0,0]=4 158 B10R1.1 Cc1ncc(cn1)NC=O 37d565fb8ea2c9e131f98e0f4c687cdb [1,1,0,0,0,0|2,0,0]=4 159 B10R1.1 FCNc1ccc(cc1)Br 9a61248e2cb3b89f6eda1c85794bcc18 [1,1,0,0,0,0|2,0,0]=4 160 B10R1.1 FCNc1ccc(cc1)Cl 758cd93e824e8d8fe0f2c7b44d621ed4 [1,1,0,0,0,0|2,0,0]=4 161 B10R1.1 FCNc1ccc(cc1)F 371043c79a08be334292394da386365b [1,1,0,0,0,0|2,0,0]=4 162 B10R1.1 FCNc1ccc(cc1)I c777c25d05ef7069ce73e36f40a5c833 [1,1,0,0,0,0|2,0,0]=4 163 B10R1.1 FCNc1ccc(cc1)S 4e916ab7b0222d51e372a5dff4038b6f [1,1,0,0,0,0|1,1,0]=4 164 B10R1.1 FCOc1ccc(cc1)Br bc13401ff1b5b76f437683a94bdf2ed8 [1,1,0,0,0,0|2,0,0]=4 165 B10R1.1 FCOc1ccc(cc1)Cl 4e8cdf8131543ffc8a8f19ac10dd354e [1,1,0,0,0,0|2,0,0]=4 166 B10R1.1 FCOc1ccc(cc1)F d9961c874524e60966f13168de74d68e [1,1,0,0,0,0|2,0,0]=4 167 B10R1.1 FCOc1ccc(cc1)I 31e9a7d342257542e659914127a8d1e9 [1,1,0,0,0,0|2,0,0]=4 168 B10R1.1 FCOc1ccc(cc1)S 3c6768610977ef2105a56aef384b857c [1,1,0,0,0,0|1,1,0]=4 169 B10R1.1 O=CNc1ccc(cc1)Br d7ce2fc8367b9f0ab0f2e59514baf831 [1,1,0,0,0,0|1,0,0]=3 170 B10R1.1 O=CNc1ccc(cc1)Cl 6958240b257559c57e66b733208a1fd9 [1,1,0,0,0,0|1,0,0]=3 171 B10R1.1 O=CNc1ccc(cc1)F bd58d24daf145acc5a6089d95f60a456 [1,1,0,0,0,0|1,0,0]=3 172 B10R1.1 O=CNc1ccc(cc1)I 477097145ec69bf5f94c911c47fa12c8 [1,1,0,0,0,0|1,0,0]=3 173 B10R1.1 O=CNc1ccc(cc1)S 4a89cce61b79984a4f73e03ba9acee66 [1,1,0,0,0,0|1,0,0]=3 174 B10R1.1 O=CNc1ccc(cn1)Cl d3d35b3132865a697b3ce3a5e150069b [1,1,0,0,0,0|2,0,0]=4 175 B10R1.1 O=CNc1ccc(cn1)F 810dde12c9284662b8355faf968b2a7a [1,1,0,0,0,0|2,0,0]=4 176 B10R1.1 O=CNc1ccc(cn1)I 4eaa73ecd6461fe1e6744e3306f8ab5f [1,1,0,0,0,0|2,0,0]=4 177 B10R1.1 O=CNc1ccc(nc1)Br 7f0fdfd14a461c68caddf7a3c7637111 [1,1,0,0,0,0|2,0,0]=4 178 B10R1.1 O=CNc1ccc(nc1)Cl d34b7188e9c6fc7bd4c519ab891fd1ef [1,1,0,0,0,0|2,0,0]=4 179 B10R1.1 O=CNc1ccc(nc1)F bc035562c1b2f653b687ca5d53853c33 [1,1,0,0,0,0|2,0,0]=4 180 B10R1.1 O=CNc1ccc(nc1)I 7e72d8482a5c98b4a6b518f418650f35 [1,1,0,0,0,0|2,0,0]=4 181 B10R1.1 O=c1ccc(c[nH]1)NCF 71b898b20012e241ac720b84250f933c [1,1,0,0,0,0|2,0,0]=4 182 B10R1.1 O=c1ccc(c[nH]1)NCO 6c49f3fcbfcda41856e9a3ef89f0e0b2 [1,1,0,0,0,0|2,0,0]=4 183 B10R1.1 OCNc1ccc(cc1)Br 8a6f77c6bbe9ea4e056c3d8d66d7853d [1,1,0,0,0,0|2,0,0]=4 184 B10R1.1 OCNc1ccc(cc1)Cl 86437eba67664b7a79a0b9f1be727594 [1,1,0,0,0,0|2,0,0]=4 185 B10R1.1 OCNc1ccc(cc1)F 713130e1345d066522caa5c40a69b374 [1,1,0,0,0,0|2,0,0]=4 186 B10R1.1 OCNc1ccc(cc1)I b3ec7df4f137e654c56c2616ca2d7a8a [1,1,0,0,0,0|2,0,0]=4 187 B10R1.1 OCNc1ccc(cc1)S a2d81e6a6f1ccdc29f69d5fbee093f77 [1,1,0,0,0,0|1,1,0]=4 188 B10R1.96 CCNc1nc(cs1)C=O affc5d33f2f9552fa24ef2ac37fd4f57 [0,1,0,0,1,0|2,0,0]=4 189 B10R1.96 CCNc1ncc(s1)C=O dce1da526516ed9a0970f01dd1717969 [0,1,0,0,1,0|2,0,0]=4 190 B10R1.96 CCOc1csc(c1)C=O 487cd3d62bad684d0c5e11d294237264 [0,1,0,0,1,0|1,0,0]=3 191 B10R1.96 CCc1cc(no1)NC=O 2a304553a3895cd8897e93f7cb0be7c6 [0,1,0,0,1,0|2,0,0]=4 192 B10R1.96 CCc1cc(on1)NC=O 8084b294564f55ed7ff9f464ddb50a66 [0,1,0,0,1,0|2,0,0]=4 193 B10R1.96 CCc1cnc(s1)NC=O 664a197db1825f95bda60b5cd9009aee [0,1,0,0,1,0|2,0,0]=4 194 B10R1.96 CCc1csc(n1)NC=O 02168ffa4243f2537751af843d1dc7df [0,1,0,0,1,0|2,0,0]=4 195 B10R1.96 CCn1cc(cn1)NC=O 6ff6e3d14a348137b6da3482b77cb0cd [0,1,0,0,1,0|2,0,0]=4 196 B10R1.96 CCn1ccc(n1)NC=O 38bbd4739076f542be8448e88f1e870e [0,1,0,0,1,0|2,0,0]=4 197 B10R1.96 O=Cc1cc(cs1)OCF 1b6f8c42bd0aa96530f649d0e1a93353 [0,1,0,0,1,0|2,0,0]=4 198 B12R1.5 C#Cc1ccc(cc1)N(C)C=O 864611e02d5d1055fe4802d6e2187ea4 [0,2,0,0,0,0|0,0,2]=4 199 B12R1.5 C=Cc1ccc(cn1)N(C)CC d21024e5325729c44ce0b1d720240300 [0,2,0,0,0,0|2,0,0]=4 200 B12R1.5 CCN(C)c1ccc(cc1)C=O a0fd570706483771aa49a936d2f3cb21 [0,2,0,0,0,0|0,0,0]=2 201 B12R1.5 CCN(C)c1ccc(cc1)CO 0442e642b28dc09b9f3aa7725617709c [0,2,0,0,0,0|0,0,2]=4 202 B12R1.5 CCN(C)c1ccc(cc1)NO a1b55ac79d706b4a728ba723b7fae4a6 [0,2,0,0,0,0|1,0,1]=4 203 B12R1.5 CCN(C)c1ccc(cc1)OC 06581141c2809c0bc310ea7a67bd5102 [0,2,0,0,0,0|2,0,0]=4 204 B12R1.5 CCN(C)c1ccc(cc1)SC da51693642669f4ac0f642dfc3a52b8b [0,2,0,0,0,0|2,0,0]=4 205 B12R1.5 CCN(C)c1ccc(cn1)C=O 30979ac5df8fbd35ed0865d9a1538cb1 [0,2,0,0,0,0|1,0,0]=3 206 B12R1.5 CCN(C)c1ccc(nc1)C=O 287a65cbaba4b277713cea5098a452fa [0,2,0,0,0,0|1,0,0]=3 207 B12R1.5 CCN(C)c1ccc(nn1)C=O 00ef11cebbf7b07d29a7333ebc47aa35 [0,2,0,0,0,0|2,0,0]=4 208 B12R1.5 CCN(C)c1ncc(cn1)C=O e05c13b260d3f503aa43959d32306c9a [0,2,0,0,0,0|2,0,0]=4 209 B12R1.5 CN(C=O)c1ccc(cc1)C#N c11dc10ade21db18120bf5a00a75e24b [0,2,0,0,0,0|1,0,1]=4 210 B12R1.5 CN(C=O)c1ccc(cc1)CO 4b23626adf970e3b6af26fbf287ac0c8 [0,2,0,0,0,0|1,0,0]=3 211 B12R1.5 CN(C=O)c1ccc(cn1)C=O a6b6d5d98c26fe3eee87d5cf07796183 [0,2,0,0,0,0|2,0,0]=4 212 B12R1.5 CN(CF)c1ccc(cc1)C=O b74eccc5ac71532d2a3bf436d8ddc0bd [0,2,0,0,0,0|1,0,0]=3 213 B12R1.5 CN(CF)c1ccc(cn1)C=O 0080a7ce5632ad1fb6af0523547a8b04 [0,2,0,0,0,0|2,0,0]=4 214 B12R1.5 CN(CO)c1ccc(cc1)C=O e1f9efc4553028d81b9cd5065fa5b275 [0,2,0,0,0,0|1,0,0]=3 215 B12R1.5 CN(CO)c1ccc(cn1)C=O bdbcac187f7976eb85eecdb3e8937dd0 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.5 COc1ccc(cc1)N(C)C=O 5bb0b6faea39a06966152d934d5acd3b [0,2,0,0,0,0|1,0,0]=3 217 B12R1.5 COc1ccc(cn1)N(C)C=O cd9b938131a0ffc6e237c42eb4fea898 [0,2,0,0,0,0|2,0,0]=4 218 B12R1.5 COc1ccc(nc1)N(C)C=O cadcdb8e3c358807a8cabf0bc3b8fa44 [0,2,0,0,0,0|2,0,0]=4 219 B12R1.5 CSc1ccc(cc1)N(C)C=O bdbbb0e5bdf03b7900c9da3e0833e74d [0,2,0,0,0,0|1,0,0]=3 220 B12R1.113 C=C(C)c1ccc(cc1)OCC a6ebbcbc37413f76bd61a84706e50fd5 [0,2,0,0,0,0|1,0,0]=3 221 B12R1.113 C=C(C)c1ccc(cc1)OCF 5d79e6af54c0828cb015ec2974105faf [0,2,0,0,0,0|2,0,0]=4 222 B12R1.113 CC(=O)c1ccc(cc1)NC#N 2e1077cad859299940af320efde8e0c2 [0,2,0,0,0,0|1,0,1]=4 223 B12R1.113 CC(=O)c1ccc(cc1)NC=O 69691b9a1ab6fd140ab79e5d9301effa [0,2,0,0,0,0|0,0,1]=3 224 B12R1.113 CC(=O)c1ccc(cc1)NCF 528352a20d2a0e2eaf13de59c8af614b [0,2,0,0,0,0|1,0,0]=3 225 B12R1.113 CC(=O)c1ccc(cc1)NCO 79893f7d740729c5df6cbfcf46087f30 [0,2,0,0,0,0|1,0,0]=3 226 B12R1.113 CC(=O)c1ccc(cc1)OCF d7e7777cc492b267f3b4c4ba1d3a86e1 [0,2,0,0,0,0|1,0,0]=3 227 B12R1.113 CC(=O)c1ccc(cn1)NC=O 900198501987d2865be2dded746b454d [0,2,0,0,0,0|1,0,1]=4 228 B12R1.113 CC(=O)c1ccc(cn1)NCF 08ccb3ac413058be9b2130546df17906 [0,2,0,0,0,0|2,0,0]=4 229 B12R1.113 CC(=O)c1ccc(cn1)NCO 7ddfa8e44e360f4a6736ad9063437507 [0,2,0,0,0,0|2,0,0]=4 230 B12R1.113 CC(=O)c1ccc(cn1)OCF 06769a4f2dead9359640fb49cb6d9cf3 [0,2,0,0,0,0|2,0,0]=4 231 B12R1.113 CC(=O)c1ccc(nc1)NC=O ce7836778adfc0ca222fd4e89f97cc23 [0,2,0,0,0,0|1,0,1]=4 232 B12R1.113 CC(=O)c1ccc(nc1)NCF ce5dc07ab2e66d48af6b95fd0c828117 [0,2,0,0,0,0|2,0,0]=4 233 B12R1.113 CC(=O)c1ccc(nc1)NCO 61d99e7bd1f8f5f0226827328b451edb [0,2,0,0,0,0|2,0,0]=4 234 B12R1.113 CC(=O)c1ccc(nc1)OCF e275ca8a7311e529c577bcfd6ef7b40f [0,2,0,0,0,0|2,0,0]=4 235 B12R1.113 CC(C)c1ccc(cc1)NC=O 727afdd3875223419795a0f137a13873 [0,2,0,0,0,0|0,0,0]=2 236 B12R1.113 CC(C)c1ccc(cc1)NCF 3e7976bca83705cc206f471127e30038 [0,2,0,0,0,0|1,0,1]=4 237 B12R1.113 CC(C)c1ccc(cc1)NCO eb33daf19145d872e5119e255ddbe9f3 [0,2,0,0,0,0|0,0,2]=4 238 B12R1.113 CC(C)c1ccc(cc1)OCF a7ca380fb5af25e1b29af10fac04b737 [0,2,0,0,0,0|1,0,1]=4 239 B12R1.113 CC(C)c1ccc(cn1)NC=O d19063bbafa8835892deb8a32988e966 [0,2,0,0,0,0|1,0,0]=3 240 B12R1.113 CC(C)c1ccc(nc1)NC=O c573ea74d3c09c471975bf7132ed20a1 [0,2,0,0,0,0|1,0,0]=3 241 B12R1.113 CC(C)c1cnc(cn1)NC=O ca2819166fcb04e6e860533618b8785a [0,2,0,0,0,0|2,0,0]=4 242 B12R1.113 CC(C)c1ncc(cn1)NC=O 200abe039c2055751abaedbd680e72f1 [0,2,0,0,0,0|2,0,0]=4 243 B12R1.113 CC(O)c1ccc(cc1)NC=O 86a5fa456af9204a70128e3ffbf07737 [0,2,0,0,0,0|0,0,0]=2 244 B12R1.113 CC(O)c1ccc(cc1)NCF 415eb4e86e110a1f3cf661d70c95cd44 [0,2,0,0,0,0|1,0,1]=4 245 B12R1.113 CC(O)c1ccc(cc1)NCO 74c9a6dba78830dd2b3ade1c19be4252 [0,2,0,0,0,0|0,0,2]=4 246 B12R1.113 CCNc1ccc(cc1)C(=O)C b35ee60e60698cad9dc48bce09e98790 [0,2,0,0,0,0|0,0,0]=2 247 B12R1.113 CCNc1ccc(cc1)C(=O)N 3d6b7784a7aa2c63429d396fa5488655 [0,2,0,0,0,0|0,0,0]=2 248 B12R1.113 CCNc1ccc(cc1)C(=O)O 8f6eeda21fbec87b20435375378dc36a [0,2,0,0,0,0|0,0,0]=2 249 B12R1.113 CCNc1ccc(cc1)C(=S)N 6717bf95bcea50ba1a8070a2fa29a0ab [0,2,0,0,0,0|0,1,0]=3 250 B12R1.113 CCNc1ccc(cc1)C(C)C 51a8c28fb0c90cbb58429f7341333aa1 [0,2,0,0,0,0|1,0,1]=4 251 B12R1.113 CCNc1ccc(cc1)C(C)O 06a84e7b07090916a8cf8a0827876e87 [0,2,0,0,0,0|0,0,2]=4 252 B12R1.113 CCNc1ccc(cc1)N(C)C 60030f7164ecf2eb4bb7228d01f9e891 [0,2,0,0,0,0|2,0,0]=4 253 B12R1.113 CCNc1ccc(cc1)S(=O)C 6eee7090214169bd16bf843c95e9dce4 [0,2,0,0,0,0|1,0,0]=3 254 B12R1.113 CCNc1ccc(cc1)[N+](=O)[O-] 61505ae0e73ca4e59cf97f62bf4de856 [0,2,0,0,0,0|1,0,0]=3 255 B12R1.113 CCNc1ccc(cn1)C(=O)C 433d281b0eb2a601577fb4e71c3fd4f3 [0,2,0,0,0,0|1,0,0]=3 256 B12R1.113 CCNc1ccc(cn1)C(=O)N 38628e4943d4fba4dd979f30eea2e256 [0,2,0,0,0,0|1,0,0]=3 257 B12R1.113 CCNc1ccc(cn1)C(=O)O 445772db4ba156b9fc509f371a250977 [0,2,0,0,0,0|1,0,0]=3 258 B12R1.113 CCNc1ccc(cn1)[N+](=O)[O-] 0a99e996c17180e68830399f75b18113 [0,2,0,0,0,0|2,0,0]=4 259 B12R1.113 CCNc1ccc(nc1)C(=O)C 56f227a563d31391d34b525ced93dda7 [0,2,0,0,0,0|1,0,0]=3 260 B12R1.113 CCNc1ccc(nc1)C(=O)N 18bc9b7549e9b044d978a04a720c3d13 [0,2,0,0,0,0|1,0,0]=3 261 B12R1.113 CCNc1ccc(nc1)C(=O)O 3d4b3f9334a92c9c81fda99edc5d14cb [0,2,0,0,0,0|1,0,0]=3 262 B12R1.113 CCNc1ccc(nc1)C(=S)N eae33faef61b5d455ca4abadc71e1e20 [0,2,0,0,0,0|1,1,0]=4 263 B12R1.113 CCNc1ccc(nc1)[N+](=O)[O-] 7fe68e6bdf9904a0bea9b9355412d216 [0,2,0,0,0,0|2,0,0]=4 264 B12R1.113 CCNc1ccc(nn1)C(=O)N ebbc1483c79029124201979f327dad2d [0,2,0,0,0,0|2,0,0]=4 265 B12R1.113 CCNc1ccc(nn1)C(=O)O c061e20366fc0689f6bcc2ef51f20a22 [0,2,0,0,0,0|2,0,0]=4 266 B12R1.113 CCNc1cnc(cn1)C(=O)C f769d181d5761e9318f997abc8cb6ae9 [0,2,0,0,0,0|2,0,0]=4 267 B12R1.113 CCNc1cnc(cn1)C(=O)N afa3f24bb975585465b77629cf5cc8e1 [0,2,0,0,0,0|2,0,0]=4 268 B12R1.113 CCNc1cnc(cn1)C(=O)O 9ee6ceb7d28fa884d42c4466afba492c [0,2,0,0,0,0|2,0,0]=4 269 B12R1.113 CCNc1cnc(nc1)C(=O)N 59a4e4f567829327bc2cd537a46e2e76 [0,2,0,0,0,0|2,0,0]=4 270 B12R1.113 CCNc1cnc(nc1)C(=O)O 71108d500e9b3384658c3d220f085fe6 [0,2,0,0,0,0|2,0,0]=4 271 B12R1.113 CCNc1ncc(cn1)C(=O)C cc26fde4406fc0e1acba1cb2b31f8701 [0,2,0,0,0,0|2,0,0]=4 272 B12R1.113 CCNc1ncc(cn1)C(=O)O 068765086556caf3f3d1e5a2781338d8 [0,2,0,0,0,0|2,0,0]=4 273 B12R1.113 CCOc1ccc(cc1)C(=O)C b53977f501c168ba6c0028f830f86ab9 [0,2,0,0,0,0|0,0,0]=2 274 B12R1.113 CCOc1ccc(cc1)C(=O)N ff108d22f580824481f8b7bfd9371d44 [0,2,0,0,0,0|0,0,0]=2 275 B12R1.113 CCOc1ccc(cc1)C(=O)O 9a3b3a0f02305402a081179f0a81bb43 [0,2,0,0,0,0|0,0,0]=2 276 B12R1.113 CCOc1ccc(cc1)C(=S)N a9355fcbb07c93a93f8794bf21f01582 [0,2,0,0,0,0|0,1,0]=3 277 B12R1.113 CCOc1ccc(cc1)C(C)C 1b1f3178a4d7a5d36377a94e34a4b641 [0,2,0,0,0,0|1,0,1]=4 278 B12R1.113 CCOc1ccc(cc1)N(C)C 7c0c8727d2634fbddeec9ff1c3c4e652 [0,2,0,0,0,0|2,0,0]=4 279 B12R1.113 CCOc1ccc(cc1)S(=O)C 280f3c9bdcf4027c69b65aecdb2eaa7c [0,2,0,0,0,0|1,0,0]=3 280 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] 3d9e3437e41505ea03b45d4f47519d74 [0,2,0,0,0,0|1,0,0]=3 281 B12R1.113 CCOc1ccc(cn1)C(=O)C 3c3b4e9bbcade07bd163de096b2eae02 [0,2,0,0,0,0|1,0,0]=3 282 B12R1.113 CCOc1ccc(cn1)C(=O)N bb610a754b5c90c11e3c462bc55ae18a [0,2,0,0,0,0|1,0,0]=3 283 B12R1.113 CCOc1ccc(cn1)C(=O)O 459d63430ff0bf6a5861daad83408624 [0,2,0,0,0,0|1,0,0]=3 284 B12R1.113 CCOc1ccc(cn1)C(=S)N a59cb6466d7da2d75cac94e608d70e80 [0,2,0,0,0,0|1,1,0]=4 285 B12R1.113 CCOc1ccc(nc1)C(=O)C 8a33ce7365fa277927eb7c3d1605c20d [0,2,0,0,0,0|1,0,0]=3 286 B12R1.113 CCOc1ccc(nc1)C(=O)N bf3cba9f7ba9bbadd64b98d2d4a0fae2 [0,2,0,0,0,0|1,0,0]=3 287 B12R1.113 CCOc1ccc(nc1)C(=O)O ab82fb2906d5fb0eb1a111593d1d07dc [0,2,0,0,0,0|1,0,0]=3 288 B12R1.113 CCOc1ccc(nc1)[N+](=O)[O-] a09708ba61eb3b268c1cc8743b298fd1 [0,2,0,0,0,0|2,0,0]=4 289 B12R1.113 CCOc1cnc(cn1)C(=O)C 53640d061f779fd1176dca9f18ff45ec [0,2,0,0,0,0|2,0,0]=4 290 B12R1.113 CCOc1cnc(cn1)C(=O)N 0789402290094c08fe9a7b71b9420cdc [0,2,0,0,0,0|2,0,0]=4 291 B12R1.113 CCOc1cnc(cn1)C(=O)O 0484c5c7dc824956e213587b23ea40fd [0,2,0,0,0,0|2,0,0]=4 292 B12R1.113 CCOc1cnc(nc1)C(=O)O fbe8379a55ae64e80fa7525c142ab2d8 [0,2,0,0,0,0|2,0,0]=4 293 B12R1.113 CCOc1ncc(cn1)C(=O)C b9982492e7469c670a1a390038e27ecc [0,2,0,0,0,0|2,0,0]=4 294 B12R1.113 CCOc1ncc(cn1)C(=O)N 0dcfebfe5ac358fe532d3c3706967a42 [0,2,0,0,0,0|2,0,0]=4 295 B12R1.113 CCOc1ncc(cn1)C(=O)O 90a69f95b14105950e0746af889bf203 [0,2,0,0,0,0|2,0,0]=4 296 B12R1.113 CN(C)c1ccc(cc1)NC=O 8adf36900254bf95cebbc5385341a0c7 [0,2,0,0,0,0|1,0,0]=3 297 B12R1.113 CN(C)c1ccc(cn1)NC=O 0baf17e73332fb4289a564be7397f778 [0,2,0,0,0,0|2,0,0]=4 298 B12R1.113 CN(C)c1ccc(nc1)NC=O 1b7dd58b77eaf77d6e78ac9637a959f0 [0,2,0,0,0,0|2,0,0]=4 299 B12R1.113 CS(=O)c1ccc(cc1)NC=O e4dea300fd44631e301ef72ebeb0d807 [0,2,0,0,0,0|1,0,0]=3 300 B12R1.113 CS(=O)c1ccc(cc1)NCF 0296e1a7c488c46974450d16d7aea993 [0,2,0,0,0,0|2,0,0]=4 301 B12R1.113 CS(=O)c1ccc(cc1)NCO 07e7e8fe42e2ccba2e6b7bc2fb1f17c6 [0,2,0,0,0,0|2,0,0]=4 302 B12R1.113 CS(=O)c1ccc(cc1)OCF aada27ae901d85e1741fd77c29ab1de8 [0,2,0,0,0,0|2,0,0]=4 303 B12R1.113 NC(=O)c1ccc(cc1)NC=O 9fb7ff943e0b6470f967c00a5d8db744 [0,2,0,0,0,0|1,0,1]=4 304 B12R1.113 NC(=O)c1ccc(cc1)NCF 8c1699158023a017cdae83175b491979 [0,2,0,0,0,0|1,0,0]=3 305 B12R1.113 NC(=O)c1ccc(cc1)NCO c1c8f9b4b12ab207d904b1dc0c390bd9 [0,2,0,0,0,0|1,0,0]=3 306 B12R1.113 NC(=O)c1ccc(cc1)OCF 004b961cffeef9c7a0359065e78389a1 [0,2,0,0,0,0|1,0,0]=3 307 B12R1.113 NC(=O)c1ccc(cn1)NCF d61f02dbb54cf7fd042cb5f64162bcfb [0,2,0,0,0,0|2,0,0]=4 308 B12R1.113 NC(=O)c1ccc(cn1)NCO ea6268eebbc86a5a086bb3c925f70601 [0,2,0,0,0,0|2,0,0]=4 309 B12R1.113 NC(=O)c1ccc(cn1)OCF 05a39720ee45e559e1d5b0148411a130 [0,2,0,0,0,0|2,0,0]=4 310 B12R1.113 NC(=O)c1ccc(nc1)NCF 578291dcc3fe8e27da082088eee070ac [0,2,0,0,0,0|2,0,0]=4 311 B12R1.113 NC(=O)c1ccc(nc1)NCO 61694a1440e35a2cd8a458074f34d8cd [0,2,0,0,0,0|2,0,0]=4 312 B12R1.113 NC(=O)c1ccc(nc1)OCF b5f613d56351af05672dcdbf37fbd4bf [0,2,0,0,0,0|2,0,0]=4 313 B12R1.113 NC(=S)c1ccc(cc1)NC=O 82b3adbb9c7111c98202a20658e1e583 [0,2,0,0,0,0|1,0,1]=4 314 B12R1.113 NC(=S)c1ccc(cc1)NCF c01e7e034d1c6a9f9ce059fa31b0b283 [0,2,0,0,0,0|1,1,0]=4 315 B12R1.113 NC(=S)c1ccc(cc1)NCO 9aa6e0d0f9822aee3f1182c402f284f3 [0,2,0,0,0,0|1,1,0]=4 316 B12R1.113 NC(=S)c1ccc(cc1)OCF 8d8419e5863d904a0f17d18651fa09d6 [0,2,0,0,0,0|1,1,0]=4 317 B12R1.113 O=C(O)c1ccc(cc1)NCF f9053d81297138e559bc04350bab420b [0,2,0,0,0,0|1,0,0]=3 318 B12R1.113 O=C(O)c1ccc(cc1)NCO 2ffc75099ffa25d0035f1d725df7ace9 [0,2,0,0,0,0|1,0,0]=3 319 B12R1.113 O=C(O)c1ccc(cc1)OCF 7e934a4725856120eec83da8502c980e [0,2,0,0,0,0|1,0,0]=3 320 B12R1.113 O=C(O)c1ccc(cn1)NCF c501499687dc9c0943ab4dce188bad34 [0,2,0,0,0,0|2,0,0]=4 321 B12R1.113 O=C(O)c1ccc(cn1)NCO 51a9b8b1aa023e4a16e664881ebaf564 [0,2,0,0,0,0|2,0,0]=4 322 B12R1.113 O=C(O)c1ccc(cn1)OCF 316d20ab9e102f34160c6fb58cb9a3ae [0,2,0,0,0,0|2,0,0]=4 323 B12R1.113 O=C(O)c1ccc(nc1)NCF 01ec063e90a19546acfac6915f960b28 [0,2,0,0,0,0|2,0,0]=4 324 B12R1.113 O=C(O)c1ccc(nc1)NCO 34a42cbc8279c8aca291b4f26974879f [0,2,0,0,0,0|2,0,0]=4 325 B12R1.113 O=C(O)c1ccc(nc1)OCF b95e29c2299d3b53dc9a3486a61397a0 [0,2,0,0,0,0|2,0,0]=4 326 B12R1.113 O=CNc1ccc(cc1)[N+](=O)[O-] bee5e823f09a2e0c205f3cea7c80dedf [0,2,0,0,0,0|2,0,0]=4 327 B12R1.113 O=CNc1ccc(cn1)C(F)F 72a20b75d6c48c0949e46cfd488a21c1 [0,2,0,0,0,0|2,0,0]=4 328 B12R1.113 O=CNc1ccc(nc1)C(F)F 0d5589610ebcc1ecd2fb243a159a2879 [0,2,0,0,0,0|2,0,0]=4 329 B12R1.113 O=[N+]([O-])c1ccc(cc1)NCF 666ba325db329490991e587abcd4eb51 [0,2,0,0,0,0|2,0,0]=4 330 B12R1.113 O=[N+]([O-])c1ccc(cc1)NCO ea00e077c058f218a8a7492588bf595a [0,2,0,0,0,0|2,0,0]=4 331 B12R1.113 O=[N+]([O-])c1ccc(cc1)OCF a3a1eea0b3d8601bbc1c83b81660a455 [0,2,0,0,0,0|2,0,0]=4 332 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 463453bc22804ab9566c3891bab41767 [0,2,0,0,0,0|0,0,2]=4 333 B12R1.4 C#Cc1ccc(cc1)NC(C)C faa63853dbda923b2c126c30ff9bfa23 [0,2,0,0,0,0|1,0,1]=4 334 B12R1.4 C#Cc1ccc(cc1)OC(C)C e3463961332c304b58817ff8d4b0b05b [0,2,0,0,0,0|1,0,1]=4 335 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 380a53a81d93fd211cb75b86b1064f57 [0,2,0,0,0,0|0,0,2]=4 336 B12R1.4 C=Cc1ccc(cc1)NC(C)C 21a2df0a267e794d3f3240b8e563ad23 [0,2,0,0,0,0|1,0,0]=3 337 B12R1.4 C=Cc1ccc(cc1)OC(C)C c83cc47632832c79bb2fdd3080632eb6 [0,2,0,0,0,0|1,0,0]=3 338 B12R1.4 C=Cc1ccc(nc1)NC(C)C 7e77370acfc8cab93a846382ec375567 [0,2,0,0,0,0|2,0,0]=4 339 B12R1.4 CC(=O)Nc1ccc(cc1)C=O 2018ba8cd05dd8ce26ca61fb61d10b19 [0,2,0,0,0,0|0,0,1]=3 340 B12R1.4 CC(=O)Nc1ccc(cc1)CO 64a0fcf83ab5804ecc6b06daa915b61a [0,2,0,0,0,0|1,0,0]=3 341 B12R1.4 CC(=O)Nc1ccc(cn1)C=O 07c27ee782d250b37088a4ef3a24f42a [0,2,0,0,0,0|1,0,1]=4 342 B12R1.4 CC(=O)Nc1ccc(cn1)CCl d22141e67fec5f62acd52e931ed5bbf9 [0,2,0,0,0,0|2,0,0]=4 343 B12R1.4 CC(=O)Nc1ccc(cn1)CO 65c6c62a0fe931d99608c37d0887213d [0,2,0,0,0,0|2,0,0]=4 344 B12R1.4 CC(=O)Nc1ccc(nc1)C=O 49e7cf4a9ba9e149eb2971e237e58703 [0,2,0,0,0,0|1,0,1]=4 345 B12R1.4 CC(=O)Nc1ccc(nc1)CO 35427dfb08c7f7c66c2665d0fb99e721 [0,2,0,0,0,0|2,0,0]=4 346 B12R1.4 CC(C)Nc1ccc(cc1)C#N 34a536a6643fc1e460a58fed59492391 [0,2,0,0,0,0|1,0,1]=4 347 B12R1.4 CC(C)Nc1ccc(cc1)C=O 62ba5962698d35c68b71a115e0b568ab [0,2,0,0,0,0|0,0,0]=2 348 B12R1.4 CC(C)Nc1ccc(cc1)CO 2893829c5855e3498ec30daf5a92b3f9 [0,2,0,0,0,0|0,0,2]=4 349 B12R1.4 CC(C)Nc1ccc(cn1)C=O c905645683820d20a01ce77b17f9ce6b [0,2,0,0,0,0|1,0,0]=3 350 B12R1.4 CC(C)Nc1ccc(nc1)C=O 0ea93230a92b171687c3dbcbb8c869fc [0,2,0,0,0,0|1,0,0]=3 351 B12R1.4 CC(C)Nc1cnc(cn1)C=O 2a326d38420b9bd6be4f89bdc6f8148e [0,2,0,0,0,0|2,0,0]=4 352 B12R1.4 CC(C)Nc1ncc(cn1)C=O 96427161bd5df79d9b1866f53bfadf55 [0,2,0,0,0,0|2,0,0]=4 353 B12R1.4 CC(C)Oc1ccc(cc1)C#N 847015a9d4bd458f57d946e8956cc9c1 [0,2,0,0,0,0|1,0,1]=4 354 B12R1.4 CC(C)Oc1ccc(cc1)C=O 2397d983c0762938a0582225e128d3b0 [0,2,0,0,0,0|0,0,0]=2 355 B12R1.4 CC(C)Oc1ccc(cc1)N=O e461c6ac1751e2be8c322e20efd1c111 [0,2,0,0,0,0|1,0,0]=3 356 B12R1.4 CC(C)Oc1ccc(cn1)C=O bd1ce5340c4711a9faef60a6c5e0d92e [0,2,0,0,0,0|1,0,0]=3 357 B12R1.4 CC(C)Oc1ccc(nc1)C=O 6bb7bf8fb082dfb640d3f4945d00337a [0,2,0,0,0,0|1,0,0]=3 358 B12R1.4 CC(C)Oc1ccc(nn1)C=O 74eb9c0dc7df37a018257696f9c22d2c [0,2,0,0,0,0|2,0,0]=4 359 B12R1.4 CC(C)Oc1ncc(cn1)C=O ae30e139a7bfab29719cf0691108ca98 [0,2,0,0,0,0|2,0,0]=4 360 B12R1.4 CCc1ccc(cc1)NC(=O)C fd4fbb7789d8d26e77cb294ee4075791 [0,2,0,0,0,0|0,0,0]=2 361 B12R1.4 CCc1ccc(cc1)NC(C)C 3ed99f3debb7261e07191e58d03b9e98 [0,2,0,0,0,0|1,0,1]=4 362 B12R1.4 CCc1ccc(cc1)OC(C)C c47fe5ab2b90199662fd8ab843de2974 [0,2,0,0,0,0|1,0,1]=4 363 B12R1.4 CCc1ccc(cn1)NC(=O)C 8dece4d59586f361bbe516f34ac8d51b [0,2,0,0,0,0|1,0,0]=3 364 B12R1.4 CCc1ccc(nc1)NC(=O)C 23bdba8492b5cf30010461953df2aaf1 [0,2,0,0,0,0|1,0,0]=3 365 B12R1.4 CCc1ccc(nn1)NC(=O)C 504a3568bdb79be1704f7a57fd2e7503 [0,2,0,0,0,0|2,0,0]=4 366 B12R1.4 CCc1cnc(cn1)NC(=O)C f3926fa609968aae653ec5ff720d75c5 [0,2,0,0,0,0|2,0,0]=4 367 B12R1.4 COc1ccc(cc1)NC(=O)C 61833518ec9f67d30125afaa9c6d53b4 [0,2,0,0,0,0|1,0,0]=3 368 B12R1.4 COc1ccc(cc1)NC(C)C ad2f50ef0d3f01d7a0822fd855d76ce7 [0,2,0,0,0,0|2,0,0]=4 369 B12R1.4 COc1ccc(cc1)OC(C)C 8ab9bf357f184746ac612b947f092324 [0,2,0,0,0,0|2,0,0]=4 370 B12R1.4 COc1ccc(cn1)NC(=O)C 790ac623225a203381388074d389f1ce [0,2,0,0,0,0|2,0,0]=4 371 B12R1.4 COc1ccc(nc1)NC(=O)C f042c98476e57a2bbcd5ba399104aceb [0,2,0,0,0,0|2,0,0]=4 372 B12R1.4 CSc1ccc(cc1)NC(=O)C d9e42278a7f385aaf073985d52a28c35 [0,2,0,0,0,0|1,0,0]=3 373 B12R1.4 CSc1ccc(cc1)NC(C)C 8046d202268d2a850a12d3ac6096b479 [0,2,0,0,0,0|2,0,0]=4 374 B12R1.4 CSc1ccc(cc1)OC(C)C e0501229b5d29bc5e4bd3d8921e409c4 [0,2,0,0,0,0|2,0,0]=4 375 B12R1.4 CSc1ccc(cn1)NC(=O)C 7d368dd74cbbf77f689a4d770f9114b0 [0,2,0,0,0,0|2,0,0]=4 376 B12R1.71 C#CCNc1ccc(cc1)C=C 9a05fa0a2f4e6b6b40adee0345cb0e95 [0,2,0,0,0,0|1,0,1]=4 377 B12R1.71 C#CCNc1ccc(cc1)C=O 98c11ef7bba30ad37e93f9ae32b4b057 [0,2,0,0,0,0|0,0,1]=3 378 B12R1.71 C#CCNc1ccc(cc1)CC e396c4de5b143acbbcdc9604b82ec461 [0,2,0,0,0,0|1,0,1]=4 379 B12R1.71 C#CCNc1ccc(cn1)C=O 45d20922b2cab1f436e32423fe24a97d [0,2,0,0,0,0|1,0,1]=4 380 B12R1.71 C#CCNc1ccc(nc1)C=O cbc81e6fad91c97d35e5b0dbf9a9c9d5 [0,2,0,0,0,0|1,0,1]=4 381 B12R1.71 C#CCOc1ccc(cc1)C=C 5576e9e840b65ec4a9448432c316c302 [0,2,0,0,0,0|1,0,1]=4 382 B12R1.71 C#CCOc1ccc(cc1)C=O fd6946fb40fbb714839ec91fe773d1ce [0,2,0,0,0,0|0,0,1]=3 383 B12R1.71 C#CCOc1ccc(cc1)CC 12f1b0744bbf1dee49cddc74f742bebb [0,2,0,0,0,0|1,0,1]=4 384 B12R1.71 C#CCOc1ccc(cc1)N=O 33ce19d89a8774566296d646e8d1cada [0,2,0,0,0,0|1,0,1]=4 385 B12R1.71 C#CCOc1ccc(cn1)C=O ea4ac18d9de1e5dd8b626a2fa48a5021 [0,2,0,0,0,0|1,0,1]=4 386 B12R1.71 C#CCOc1ccc(nc1)C=O dfea476f21211e76717848c77f8862f7 [0,2,0,0,0,0|1,0,1]=4 387 B12R1.71 C#Cc1ccc(cc1)CNC=O cc5ff075ee981f2fa69edf6cbc47c5c0 [0,2,0,0,0,0|0,0,2]=4 388 B12R1.71 C#Cc1ccc(cc1)CNCC acc607984157ec81c8ea429f261669f7 [0,2,0,0,0,0|1,0,1]=4 389 B12R1.71 C#Cc1ccc(cc1)CNCF 9c6f998faeb37f97d269d057916d1bc4 [0,2,0,0,0,0|1,0,1]=4 390 B12R1.71 C#Cc1ccc(cc1)CNCO f9bad6c2828b67eb2a94c7c04d7afe72 [0,2,0,0,0,0|1,0,1]=4 391 B12R1.71 C#Cc1ccc(cc1)COCC 6230cf57368c1296ff15e77e9a34441e [0,2,0,0,0,0|1,0,1]=4 392 B12R1.71 C#Cc1ccc(cc1)COCF e957908427960b2db635360d63f96974 [0,2,0,0,0,0|1,0,1]=4 393 B12R1.71 C#Cc1ccc(cc1)NCC=O f60db590ec0235fb22609061a0f6ff27 [0,2,0,0,0,0|0,0,2]=4 394 B12R1.71 C#Cc1ccc(cc1)NCCC fc9cf895565fa4232c2247830c975af6 [0,2,0,0,0,0|1,0,1]=4 395 B12R1.71 C#Cc1ccc(cc1)NCCF 0216074e1f87df0e609b9b9371eb4088 [0,2,0,0,0,0|1,0,1]=4 396 B12R1.71 C#Cc1ccc(cc1)NCCO 6864288a8944c1dcd65fcf8c5c515a0f [0,2,0,0,0,0|1,0,1]=4 397 B12R1.71 C#Cc1ccc(cc1)NCCS 4a20beb128d011d955b5d868503912e9 [0,2,0,0,0,0|1,0,1]=4 398 B12R1.71 C#Cc1ccc(cc1)NCOC 8ca9ce20d0ea96738b25a8aa9280d05b [0,2,0,0,0,0|1,0,1]=4 399 B12R1.71 C#Cc1ccc(cc1)NCSC 25e5b187fef384a688991cda8ab8283e [0,2,0,0,0,0|1,0,1]=4 400 B12R1.71 C#Cc1ccc(cc1)OCC=O 120befd61c55366fed41c1abd3f36bf3 [0,2,0,0,0,0|0,0,2]=4 401 B12R1.71 C#Cc1ccc(cc1)OCCC 729d9bda0f3fb9c155366dcf1c6fe091 [0,2,0,0,0,0|1,0,1]=4 402 B12R1.71 C#Cc1ccc(cc1)OCCF 3cc45db4b63be0ad3c2cdf1a30c3db31 [0,2,0,0,0,0|1,0,1]=4 403 B12R1.71 C#Cc1ccc(cc1)OCCS c668a1e8e2102b883e40f98321e0a55e [0,2,0,0,0,0|1,0,1]=4 404 B12R1.71 C#Cc1ccc(cc1)OCOC 6ac80003833690c064283fc202bca712 [0,2,0,0,0,0|1,0,1]=4 405 B12R1.71 C#Cc1ccc(cc1)OCSC 79344a320c6f31b10317f66c8bcbd703 [0,2,0,0,0,0|1,0,1]=4 406 B12R1.71 C=CCNc1ccc(cc1)C=C d608b0da23fdf4ff2775caa612c34248 [0,2,0,0,0,0|1,0,1]=4 407 B12R1.71 C=CCNc1ccc(cc1)C=O 0f89165b7604c9ca1657e9037a23991f [0,2,0,0,0,0|0,0,1]=3 408 B12R1.71 C=CCNc1ccc(cc1)CC ee6ccaaac112d7b5de163c91f162a623 [0,2,0,0,0,0|1,0,0]=3 409 B12R1.71 C=CCNc1ccc(cc1)CO 4bbc64c3d22978ccaa1ddce03b0e1a4c [0,2,0,0,0,0|2,0,0]=4 410 B12R1.71 C=CCNc1ccc(cc1)OC 7879fcf9c0ef007babe88b995bb49e8d [0,2,0,0,0,0|2,0,0]=4 411 B12R1.71 C=CCNc1ccc(cc1)SC a09a55ac58addb8f289fdcb80aff1412 [0,2,0,0,0,0|2,0,0]=4 412 B12R1.71 C=CCNc1ccc(cn1)C=O ed1f2354598230ebcdaa265feb350a45 [0,2,0,0,0,0|1,0,1]=4 413 B12R1.71 C=CCNc1ccc(cn1)CC 2c0043fa7d78cc64eeaf7a273e09603d [0,2,0,0,0,0|2,0,0]=4 414 B12R1.71 C=CCNc1ccc(nc1)C=O d6ef7e64e9a435ae985c2b8c16761cb7 [0,2,0,0,0,0|1,0,1]=4 415 B12R1.71 C=CCNc1ccc(nc1)CC 2cff7b3f45a3fcc02fa93ffb97335b0f [0,2,0,0,0,0|2,0,0]=4 416 B12R1.71 C=CCOc1ccc(cc1)C=C a2f4c61a48df4954b72a2fe314f24f49 [0,2,0,0,0,0|1,0,1]=4 417 B12R1.71 C=CCOc1ccc(cc1)C=O 90da22876fdaa62cdbaf8c82428b5a45 [0,2,0,0,0,0|0,0,1]=3 418 B12R1.71 C=CCOc1ccc(cc1)CC 62db6052befcc718fc496dad3a77b04e [0,2,0,0,0,0|1,0,0]=3 419 B12R1.71 C=CCOc1ccc(cc1)N=O 35b0847ffab20c950fd0b88adc48b21b [0,2,0,0,0,0|1,0,1]=4 420 B12R1.71 C=CCOc1ccc(cc1)OC a7948b7707b8016602da4e4edb34709c [0,2,0,0,0,0|2,0,0]=4 421 B12R1.71 C=CCOc1ccc(cc1)SC 277e4bfe07351a797941fc9c177a6789 [0,2,0,0,0,0|2,0,0]=4 422 B12R1.71 C=CCOc1ccc(cn1)C=O 678cad21f93d7a20172d21dbfb844a2e [0,2,0,0,0,0|1,0,1]=4 423 B12R1.71 C=CCOc1ccc(cn1)CC 8ed163df48c3a6dad1e06064a124f003 [0,2,0,0,0,0|2,0,0]=4 424 B12R1.71 C=CCOc1ccc(nc1)C=O 43f5285c1552e42825d6ebcede36143d [0,2,0,0,0,0|1,0,1]=4 425 B12R1.71 C=Cc1ccc(cc1)CNC#N 58380d645e8c9fc84cea2c5ffceba78b [0,2,0,0,0,0|1,0,1]=4 426 B12R1.71 C=Cc1ccc(cc1)CNC=O b9a62adf96c9553799811fe72e299c20 [0,2,0,0,0,0|0,0,2]=4 427 B12R1.71 C=Cc1ccc(cc1)CNCC 8d26f36a09ed6bc1769933ec92c07439 [0,2,0,0,0,0|1,0,0]=3 428 B12R1.71 C=Cc1ccc(cc1)CNCF 63a5b17e7442bdc3a05c7188cf9e23e1 [0,2,0,0,0,0|1,0,0]=3 429 B12R1.71 C=Cc1ccc(cc1)CNCO 326767c21a5bb3b7de832c31b7eb1a60 [0,2,0,0,0,0|1,0,0]=3 430 B12R1.71 C=Cc1ccc(cc1)COCC 753e5692cf814e398fcce6513d26c7c7 [0,2,0,0,0,0|1,0,0]=3 431 B12R1.71 C=Cc1ccc(cc1)COCF 9b202ff7fbff44fe3c09533e95783efe [0,2,0,0,0,0|1,0,0]=3 432 B12R1.71 C=Cc1ccc(cc1)NCC#N 9c508da44bd2b2abd298118dbed88bea [0,2,0,0,0,0|1,0,1]=4 433 B12R1.71 C=Cc1ccc(cc1)NCC=O 06d09f15338a1267fe3e23535fdd5450 [0,2,0,0,0,0|0,0,2]=4 434 B12R1.71 C=Cc1ccc(cc1)NCCC bea20e9a07d5c53108eb0f03c06182e1 [0,2,0,0,0,0|1,0,0]=3 435 B12R1.71 C=Cc1ccc(cc1)NCCF b451124631500ffd8056ce3b2963f391 [0,2,0,0,0,0|1,0,0]=3 436 B12R1.71 C=Cc1ccc(cc1)NCCI 47aed2912b32575a2482c77c36e2e683 [0,2,0,0,0,0|1,0,0]=3 437 B12R1.71 C=Cc1ccc(cc1)NCCO ca4c13f45ac429eaa817deeb315ffa6b [0,2,0,0,0,0|1,0,0]=3 438 B12R1.71 C=Cc1ccc(cc1)NCCS 508865847b6238736635cf8fdf646ce2 [0,2,0,0,0,0|1,0,0]=3 439 B12R1.71 C=Cc1ccc(cc1)NCOC 97cdddad96634b53cdafcb6e0644b48d [0,2,0,0,0,0|1,0,0]=3 440 B12R1.71 C=Cc1ccc(cc1)NCSC a71fd47777b9c428d068a5902116384d [0,2,0,0,0,0|1,0,0]=3 441 B12R1.71 C=Cc1ccc(cc1)OCC#N 2db0f02468a63b7ad7844f0a20575b76 [0,2,0,0,0,0|1,0,1]=4 442 B12R1.71 C=Cc1ccc(cc1)OCC=O 8426c42b1d5231bf6236be4f728b5910 [0,2,0,0,0,0|0,0,2]=4 443 B12R1.71 C=Cc1ccc(cc1)OCCC 9289590995132c233aa3a872f79777ec [0,2,0,0,0,0|1,0,0]=3 444 B12R1.71 C=Cc1ccc(cc1)OCCF e66d9ae27466b417384c4aff817bd5ea [0,2,0,0,0,0|1,0,0]=3 445 B12R1.71 C=Cc1ccc(cc1)OCCS 952a32d0a5ef3d4321d5171b40617b2f [0,2,0,0,0,0|1,0,0]=3 446 B12R1.71 C=Cc1ccc(cc1)OCOC ac690c43d845204f0339230a58bbab80 [0,2,0,0,0,0|1,0,0]=3 447 B12R1.71 C=Cc1ccc(cc1)OCSC ec6c542e460d54358d81ca15a8632d0b [0,2,0,0,0,0|1,0,0]=3 448 B12R1.71 C=Cc1ccc(cn1)NCCBr 3fa652ebfc980b66a4ad089eae19bbaf [0,2,0,0,0,0|2,0,0]=4 449 B12R1.71 C=Cc1ccc(cn1)NCCC 70a4a677ea87a3e5e5136b53deae68a6 [0,2,0,0,0,0|2,0,0]=4 450 B12R1.71 C=Cc1ccc(cn1)NCCF 3670add0e7c7f63b1e5b64b65bc647a0 [0,2,0,0,0,0|2,0,0]=4 451 B12R1.71 C=Cc1ccc(cn1)NCCI de817ea12047d656d77f507e3bb40bd1 [0,2,0,0,0,0|2,0,0]=4 452 B12R1.71 C=Cc1ccc(cn1)NCCO 638f619c9deef436b391dda2a9200d73 [0,2,0,0,0,0|2,0,0]=4 453 B12R1.71 C=Cc1ccc(cn1)NCCS 67d6689584a56da78727fd8cdcabca37 [0,2,0,0,0,0|2,0,0]=4 454 B12R1.71 C=Cc1ccc(nc1)NCCC 1b30bc56405fa5952d03097e6865eba2 [0,2,0,0,0,0|2,0,0]=4 455 B12R1.71 C=Cc1ccc(nc1)NCCF f6452eeeb557a94c311308e552287f38 [0,2,0,0,0,0|2,0,0]=4 456 B12R1.71 C=Cc1ccc(nc1)NCCO c497342828efb78564900ad073185e1f [0,2,0,0,0,0|2,0,0]=4 457 B12R1.71 C=Cc1ccc(nc1)NCCS f803837dc1b2ecf038edb0e5f70aab1c [0,2,0,0,0,0|2,0,0]=4 458 B12R1.71 C=Cc1ccc(nc1)NCOC 90054c1465c4589afc4caf33569e4b20 [0,2,0,0,0,0|2,0,0]=4 459 B12R1.71 C=Cc1ccc(nc1)NCSC 986f065b522b6141d19a923f1e97f9b4 [0,2,0,0,0,0|2,0,0]=4 460 B12R1.71 CCCNc1ccc(cc1)C#N c413f0c8235d8b24b660a942fae94e8f [0,2,0,0,0,0|1,0,1]=4 461 B12R1.71 CCCNc1ccc(cc1)C=O 9dbf29157f416c2cfd25aa5f07560af2 [0,2,0,0,0,0|0,0,0]=2 462 B12R1.71 CCCNc1ccc(cc1)CC 18681bd5a077639e070315f9c5ead6bc [0,2,0,0,0,0|1,0,1]=4 463 B12R1.71 CCCNc1ccc(cc1)CO ceb468625b15ce9adcfaf637f5d6e68b [0,2,0,0,0,0|0,0,2]=4 464 B12R1.71 CCCNc1ccc(cc1)NO 3dd6caa0f914c4ac2accf62bc38f2152 [0,2,0,0,0,0|1,0,1]=4 465 B12R1.71 CCCNc1ccc(cc1)OC 5ef38f04471b6d41619c77104109b7a1 [0,2,0,0,0,0|2,0,0]=4 466 B12R1.71 CCCNc1ccc(cc1)SC 5c3d3acd85641d2bc8849fea33561964 [0,2,0,0,0,0|2,0,0]=4 467 B12R1.71 CCCNc1ccc(cn1)C=O 8ebe3d89a4a30df4106f6d3cdca4ca46 [0,2,0,0,0,0|1,0,0]=3 468 B12R1.71 CCCNc1ccc(nc1)C=O d88950b7df383146d1decf3fdd2c1b4d [0,2,0,0,0,0|1,0,0]=3 469 B12R1.71 CCCNc1ccc(nn1)C=O cbd6b9dd2bbbe8976b2c2c86346157de [0,2,0,0,0,0|2,0,0]=4 470 B12R1.71 CCCNc1cnc(cn1)C=O f5f7fa41da63c2073d671e3408682831 [0,2,0,0,0,0|2,0,0]=4 471 B12R1.71 CCCNc1cnc(nc1)C=O 3860d6f0e47d29aea186ee971562b850 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.71 CCCNc1ncc(cn1)C=O f78d75db7e743635c3caee679dbeef45 [0,2,0,0,0,0|2,0,0]=4 473 B12R1.71 CCCOc1ccc(cc1)C#N 9ef65dc47341dcbe9f84aab2fa134c88 [0,2,0,0,0,0|1,0,1]=4 474 B12R1.71 CCCOc1ccc(cc1)C=O 4e37ed969b2e2dc144113d7cf8381fcd [0,2,0,0,0,0|0,0,0]=2 475 B12R1.71 CCCOc1ccc(cc1)CC 96cca871d75f432ff4ca383a1c75e964 [0,2,0,0,0,0|1,0,1]=4 476 B12R1.71 CCCOc1ccc(cc1)N=O e5113a838ca97c8bc7158f76255bd3fe [0,2,0,0,0,0|1,0,0]=3 477 B12R1.71 CCCOc1ccc(cc1)OC 0b61816165283f1506ed44c74ecbaebe [0,2,0,0,0,0|2,0,0]=4 478 B12R1.71 CCCOc1ccc(cc1)SC 479b0a3cc96ea63a2a5a2a1f41d91b56 [0,2,0,0,0,0|2,0,0]=4 479 B12R1.71 CCCOc1ccc(cn1)C=O 4bd15a674df01e5246ae9320c2634007 [0,2,0,0,0,0|1,0,0]=3 480 B12R1.71 CCCOc1ccc(nc1)C=O d569e05d488e5bd29df7cf08d4f9dce6 [0,2,0,0,0,0|1,0,0]=3 481 B12R1.71 CCCOc1ccc(nn1)C=O b8e01f5b27d1348b21eac7e30bbee13d [0,2,0,0,0,0|2,0,0]=4 482 B12R1.71 CCCOc1ncc(cn1)C=O fb351d9b89b3dfea9eee23bdeb626dbc [0,2,0,0,0,0|2,0,0]=4 483 B12R1.71 CCNCc1ccc(cc1)C#N f12d5ea6f09c7c059e4c3dbf14cb481a [0,2,0,0,0,0|1,0,1]=4 484 B12R1.71 CCNCc1ccc(cc1)CBr becc461d015ad0df61a5c76d19f314f5 [0,2,0,0,0,0|1,0,1]=4 485 B12R1.71 CCNCc1ccc(cc1)CC 3e2fb788aa7dc44753168a8243395fdd [0,2,0,0,0,0|1,0,1]=4 486 B12R1.71 CCNCc1ccc(cc1)CO dcae13b21c0d781c4ec79c5c7375f026 [0,2,0,0,0,0|0,0,2]=4 487 B12R1.71 CCNCc1ccc(cc1)OC 590310c69085c3b6b7de5eeac9230511 [0,2,0,0,0,0|2,0,0]=4 488 B12R1.71 CCNCc1ccc(cc1)SC 00ccf471bad170335d0bab0647cf5701 [0,2,0,0,0,0|2,0,0]=4 489 B12R1.71 CCOCc1ccc(cc1)C#N 3373887eb6a965dda8a3f3e05b72ab37 [0,2,0,0,0,0|1,0,1]=4 490 B12R1.71 CCOCc1ccc(cc1)C=O 63f61c534301d2fb19296914e9ec3a98 [0,2,0,0,0,0|0,0,0]=2 491 B12R1.71 CCOCc1ccc(cc1)CC 45f72f0a0f8fb8243e54c5aac869cd85 [0,2,0,0,0,0|0,0,2]=4 492 B12R1.71 CCOCc1ccc(cc1)OC d60caff2ba93c5dc9ab4d399fa52aa3c [0,2,0,0,0,0|2,0,0]=4 493 B12R1.71 CCOCc1ccc(cc1)SC 5e8be0892a30f0c5353894e85ab5ba9b [0,2,0,0,0,0|2,0,0]=4 494 B12R1.71 CCOCc1ccc(nc1)C=O 8493eb511aeeed5f9d02988f45d5b569 [0,2,0,0,0,0|1,0,0]=3 495 B12R1.71 CCOCc1cnc(nc1)C=O c10f103187896c4f8a468b311e039bfb [0,2,0,0,0,0|2,0,0]=4 496 B12R1.71 CCOCc1ncc(cn1)C=O 7f8d19badc08b8de3f680963ca402218 [0,2,0,0,0,0|2,0,0]=4 497 B12R1.71 CCc1ccc(cc1)CNC#N 80eabb00c3e3720de9c0ac9819fcfdec [0,2,0,0,0,0|1,0,1]=4 498 B12R1.71 CCc1ccc(cc1)CNC=O bc83eb8e345133ec32fddcb0cc538975 [0,2,0,0,0,0|0,0,0]=2 499 B12R1.71 CCc1ccc(cc1)CNCF 37970714a8bf06b00feb4badc19d2ca3 [0,2,0,0,0,0|1,0,1]=4 500 B12R1.71 CCc1ccc(cc1)CNCO d6ef08e38bce48d4f302ca698d60897e [0,2,0,0,0,0|0,0,2]=4 501 B12R1.71 CCc1ccc(cc1)COCF 476622ea5ff8c5f296595de9335a942b [0,2,0,0,0,0|0,0,2]=4 502 B12R1.71 CCc1ccc(cc1)NCC#N 9198552693f3d8b73ae96e74b9b32953 [0,2,0,0,0,0|1,0,1]=4 503 B12R1.71 CCc1ccc(cc1)NCC=O f22b3f0d835260f3ea2a66b32f225d1e [0,2,0,0,0,0|0,0,0]=2 504 B12R1.71 CCc1ccc(cc1)NCCF d86db07219c9f0e04813cc2f3408d376 [0,2,0,0,0,0|1,0,1]=4 505 B12R1.71 CCc1ccc(cc1)NCCI 3fe2560c39fed59a074fbd198ccd561e [0,2,0,0,0,0|1,0,1]=4 506 B12R1.71 CCc1ccc(cc1)NCCO 59bb3be9e4823d1abaf1b030f05f44ce [0,2,0,0,0,0|0,0,2]=4 507 B12R1.71 CCc1ccc(cc1)NCCS b60d8f6f2f663a12d96ae8122add0901 [0,2,0,0,0,0|0,1,1]=4 508 B12R1.71 CCc1ccc(cc1)NCOC 058ee6c7ecc6d51d387abed1e4de0f1d [0,2,0,0,0,0|0,0,2]=4 509 B12R1.71 CCc1ccc(cc1)NCSC 959018a16e5d1e7d1e8c5671bac2a437 [0,2,0,0,0,0|0,1,1]=4 510 B12R1.71 CCc1ccc(cc1)OCC#N d2e4d5c4ad024b7763635c1cf7599efa [0,2,0,0,0,0|1,0,1]=4 511 B12R1.71 CCc1ccc(cc1)OCC=O be36dab03e57e44fb88db9aad450d084 [0,2,0,0,0,0|0,0,0]=2 512 B12R1.71 CCc1ccc(cc1)OCCF 44bec342bc60a7bc9354f50855d4a229 [0,2,0,0,0,0|1,0,1]=4 513 B12R1.71 CCc1ccc(cc1)OCCS e9c088276447c7262f9a23be1cd2c9c9 [0,2,0,0,0,0|0,1,1]=4 514 B12R1.71 CCc1ccc(cc1)OCSC 862e8a105f4320dbd38b1167597d6d09 [0,2,0,0,0,0|0,1,1]=4 515 B12R1.71 CCc1ccc(cn1)NCC=O b100bdb25953cb7f0102f875885f9567 [0,2,0,0,0,0|1,0,0]=3 516 B12R1.71 CCc1ccc(nc1)NCC=O aa15f777d1d6fcad1b01eb7019f4babf [0,2,0,0,0,0|1,0,0]=3 517 B12R1.71 CCc1ccc(nc1)OCC=O 6621fb99f720cab0eac06006fb029b48 [0,2,0,0,0,0|1,0,0]=3 518 B12R1.71 CCc1ccc(nn1)NCC=O b19c7a3072c61cfb2eaf86c5b795afbe [0,2,0,0,0,0|2,0,0]=4 519 B12R1.71 CCc1cnc(cn1)NCC=O 25b02d54f6f4d8ac0d6b39cb2c3c4f5f [0,2,0,0,0,0|2,0,0]=4 520 B12R1.71 CCc1cnc(cn1)OCC=O e38410e48c86686d0c08fe7fa842c6b9 [0,2,0,0,0,0|2,0,0]=4 521 B12R1.71 CCc1cnc(nc1)NCC=O 6bdb8d45ce9d4306abe25853f4db5e60 [0,2,0,0,0,0|2,0,0]=4 522 B12R1.71 CCc1ncc(cn1)CNC=O 873bc98179a7f715f07869fbe6d34ae9 [0,2,0,0,0,0|2,0,0]=4 523 B12R1.71 CCc1ncc(cn1)NCC=O 07d87c019fdd02ac8507ce0971183115 [0,2,0,0,0,0|2,0,0]=4 524 B12R1.71 COCNc1ccc(cc1)C#N 65cf5d2ce99f60392e8ee371934a1d55 [0,2,0,0,0,0|1,0,1]=4 525 B12R1.71 COCNc1ccc(cc1)C=O f7ab2f429f29a899fd97c425aa102629 [0,2,0,0,0,0|0,0,0]=2 526 B12R1.71 COCNc1ccc(cc1)CO 1f77983716297ec2a82dbea03424b9c6 [0,2,0,0,0,0|0,0,2]=4 527 B12R1.71 COCNc1ccc(cc1)OC f08bb6381e49f57d218c6141b71431a4 [0,2,0,0,0,0|2,0,0]=4 528 B12R1.71 COCNc1ccc(cc1)SC ae4247a861e0d9221250c21ef2ea1170 [0,2,0,0,0,0|2,0,0]=4 529 B12R1.71 COCNc1ccc(cn1)C=O 35aa94459e6a81ad86a4eac62f959fc0 [0,2,0,0,0,0|1,0,0]=3 530 B12R1.71 COCNc1ccc(nc1)C=O 8dc5d0abec0d4f4ac1755ab931315e4f [0,2,0,0,0,0|1,0,0]=3 531 B12R1.71 COCNc1cnc(cn1)C=O d6f83799bf0aa6ca09c3a1a9529fb6c1 [0,2,0,0,0,0|2,0,0]=4 532 B12R1.71 COCNc1ncc(cn1)C=O 38398864df6d2cc7e8ee8d2bd8bc0edb [0,2,0,0,0,0|2,0,0]=4 533 B12R1.71 COCOc1ccc(cc1)C#N 753b0a267902f42d2517abe4e40b8f43 [0,2,0,0,0,0|1,0,1]=4 534 B12R1.71 COCOc1ccc(cc1)C=O c6331fde3edc7b39ecba2c825a6ab487 [0,2,0,0,0,0|0,0,0]=2 535 B12R1.71 COCOc1ccc(cc1)N=O 6efbc9c18cc7576f4ef181c98474af2a [0,2,0,0,0,0|1,0,0]=3 536 B12R1.71 COCOc1ccc(cc1)OC 2dd59a1a703d28b02af40dd932f195cf [0,2,0,0,0,0|2,0,0]=4 537 B12R1.71 COCOc1ccc(cc1)SC dd10472e8dd3da73df07a634244d412a [0,2,0,0,0,0|2,0,0]=4 538 B12R1.71 COCOc1ccc(cn1)C=O 8550233a44ec200389c3dd4b6e73584f [0,2,0,0,0,0|1,0,0]=3 539 B12R1.71 COCOc1ccc(nc1)C=O 293b7ba018007cdb81de45cb4e6d1014 [0,2,0,0,0,0|1,0,0]=3 540 B12R1.71 COCOc1ccc(nn1)C=O be1a6380da1f46e2b9d923cd50161a68 [0,2,0,0,0,0|2,0,0]=4 541 B12R1.71 COCOc1ncc(cn1)C=O 7f4c88fe72a95d51bc186200f37b7da9 [0,2,0,0,0,0|2,0,0]=4 542 B12R1.71 COc1ccc(cc1)CNC=O db976ecf05e2f4cb858b2b428e1f3adf [0,2,0,0,0,0|1,0,0]=3 543 B12R1.71 COc1ccc(cc1)CNCF 32afdbf27d7dd3bfaba3889838097e52 [0,2,0,0,0,0|2,0,0]=4 544 B12R1.71 COc1ccc(cc1)CNCO 020083af321719f38499e8685d6c62a9 [0,2,0,0,0,0|2,0,0]=4 545 B12R1.71 COc1ccc(cc1)COCF 9616b61606be277168d66d79c532c507 [0,2,0,0,0,0|2,0,0]=4 546 B12R1.71 COc1ccc(cc1)NCC=O ad17f3b8982a8cd87c44d7b094938940 [0,2,0,0,0,0|1,0,0]=3 547 B12R1.71 COc1ccc(cc1)NCCF 8fee6635ccf1dd054d69e37a582bba86 [0,2,0,0,0,0|2,0,0]=4 548 B12R1.71 COc1ccc(cc1)NCCO b2b0da7e24a1ad0b5cbc5b972ddd499d [0,2,0,0,0,0|2,0,0]=4 549 B12R1.71 COc1ccc(cc1)NCCS 872cf7e11a4e185989cb4e3369d7cc0e [0,2,0,0,0,0|2,0,0]=4 550 B12R1.71 COc1ccc(cc1)NCSC b208afa1c3c9a9c83b84843e5243cb08 [0,2,0,0,0,0|2,0,0]=4 551 B12R1.71 COc1ccc(cc1)OCC=O cf14009318b291383eaa11e0c7202ebb [0,2,0,0,0,0|1,0,0]=3 552 B12R1.71 COc1ccc(cc1)OCCF 0a2978e5f767018b19b099c16da15a7d [0,2,0,0,0,0|2,0,0]=4 553 B12R1.71 COc1ccc(cc1)OCCS c30044f3949cc33089abd838394b764c [0,2,0,0,0,0|2,0,0]=4 554 B12R1.71 COc1ccc(cc1)OCSC 60de989f1c896fefabcc4586edfbc7be [0,2,0,0,0,0|2,0,0]=4 555 B12R1.71 COc1ccc(cn1)CNC=O da2fc565377c759843fc1dbfbbf54d93 [0,2,0,0,0,0|2,0,0]=4 556 B12R1.71 COc1ccc(cn1)NCC=O 7723b8e0f33a13ad5ba7042bbe31a032 [0,2,0,0,0,0|2,0,0]=4 557 B12R1.71 COc1ccc(cn1)OCC=O bf066cdb3809b166e74febe7fadf750d [0,2,0,0,0,0|2,0,0]=4 558 B12R1.71 COc1ccc(nc1)CNC=O 12ee1caca4b388f51f7c1986ce80501e [0,2,0,0,0,0|2,0,0]=4 559 B12R1.71 COc1ccc(nc1)NCC=O 266bb12205c6b4924b0a4d908331d6b8 [0,2,0,0,0,0|2,0,0]=4 560 B12R1.71 COc1ccc(nc1)OCC=O 142a7118a29dfca960578843b3b00e1c [0,2,0,0,0,0|2,0,0]=4 561 B12R1.71 CSCNc1ccc(cc1)C#N 825281cf57456f832c535ba86141c604 [0,2,0,0,0,0|1,0,1]=4 562 B12R1.71 CSCNc1ccc(cc1)C=O 1daa2cba3e106138a755dfb5a7bd2022 [0,2,0,0,0,0|0,0,0]=2 563 B12R1.71 CSCNc1ccc(cc1)CO 7903cc30cfbce6acd80446c98bf25bf5 [0,2,0,0,0,0|0,0,2]=4 564 B12R1.71 CSCNc1ccc(cc1)SC 7f3e9c64e5b0cb0a769b4cbf02d56244 [0,2,0,0,0,0|2,0,0]=4 565 B12R1.71 CSCNc1ccc(cn1)C=O 87175c6fecf6d71d18a47f30ecd5b673 [0,2,0,0,0,0|1,0,0]=3 566 B12R1.71 CSCNc1ccc(nc1)C=O e5c017d7bbbe7edf4cf7be83758360da [0,2,0,0,0,0|1,0,0]=3 567 B12R1.71 CSCNc1cnc(cn1)C=O f6a0e6cef4fe1de259ad7bbcc615ed6a [0,2,0,0,0,0|2,0,0]=4 568 B12R1.71 CSCNc1ncc(cn1)C=O b7bc00adc659f42ce986c63401a52d4c [0,2,0,0,0,0|2,0,0]=4 569 B12R1.71 CSCOc1ccc(cc1)C#N 88704291ff3e9ccc65270b2d61a35752 [0,2,0,0,0,0|1,0,1]=4 570 B12R1.71 CSCOc1ccc(cc1)C=O dd0170a06c13ae6b1c7e812c8823f315 [0,2,0,0,0,0|0,0,0]=2 571 B12R1.71 CSCOc1ccc(cc1)N=O 2aa07bd1c35cdc285133b1c459404b8b [0,2,0,0,0,0|1,0,0]=3 572 B12R1.71 CSCOc1ccc(cc1)SC ff7b85f950f9c942c1ec9071a16fe926 [0,2,0,0,0,0|2,0,0]=4 573 B12R1.71 CSCOc1ccc(cn1)C=O ed07301570c2e322c97386f7b30e31e9 [0,2,0,0,0,0|1,0,0]=3 574 B12R1.71 CSCOc1ccc(nc1)C=O 0755c1e64d43491993f460c98cca552a [0,2,0,0,0,0|1,0,0]=3 575 B12R1.71 CSCOc1ccc(nn1)C=O 216c110ea6c3868b6ae16282a3591db1 [0,2,0,0,0,0|2,0,0]=4 576 B12R1.71 CSCOc1ncc(cn1)C=O c538c065509ba663bd53e9415cc23970 [0,2,0,0,0,0|2,0,0]=4 577 B12R1.71 CSc1ccc(cc1)CNC=O 971ff291f1a7db789d5efcc51aaa0672 [0,2,0,0,0,0|1,0,0]=3 578 B12R1.71 CSc1ccc(cc1)CNCF b9c9030359fa2f8c1fde2587c7cc2219 [0,2,0,0,0,0|2,0,0]=4 579 B12R1.71 CSc1ccc(cc1)CNCO 21c910e00e59dfce91d7cb8102e1f3e3 [0,2,0,0,0,0|2,0,0]=4 580 B12R1.71 CSc1ccc(cc1)COCF b51b996d52859efd05a68377ee66dfc3 [0,2,0,0,0,0|2,0,0]=4 581 B12R1.71 CSc1ccc(cc1)NCC=O 0ae1d19fa75fe5021b031daea1ecf5e7 [0,2,0,0,0,0|1,0,0]=3 582 B12R1.71 CSc1ccc(cc1)NCCF 9464510ed505128eb206302d2b26e956 [0,2,0,0,0,0|2,0,0]=4 583 B12R1.71 CSc1ccc(cc1)NCCO 478295d89feae03334547871f0d6050c [0,2,0,0,0,0|2,0,0]=4 584 B12R1.71 CSc1ccc(cc1)NCCS 683171aa02bb4a901643cd8dc7a2cb9f [0,2,0,0,0,0|2,0,0]=4 585 B12R1.71 CSc1ccc(cc1)OCC=O 83a8aaa8ffe5e17ddfed14bcb3d02663 [0,2,0,0,0,0|1,0,0]=3 586 B12R1.71 CSc1ccc(cc1)OCCF 42d04b528d48174fa03ed012f3d659a7 [0,2,0,0,0,0|2,0,0]=4 587 B12R1.71 CSc1ccc(cc1)OCCS b094c235c79999c9e17b0cf74c010571 [0,2,0,0,0,0|2,0,0]=4 588 B12R1.71 CSc1ccc(cn1)NCC=O 0703efd513eb6b35edfd87217fbebb7f [0,2,0,0,0,0|2,0,0]=4 589 B12R1.71 CSc1ccc(cn1)OCC=O ff9e19ab70ad4074b43338d49b9f5d73 [0,2,0,0,0,0|2,0,0]=4 590 B12R1.71 CSc1ccc(nc1)NCC=O 0a9e385e9f8769a268cc23ae9fd3179d [0,2,0,0,0,0|2,0,0]=4 591 B12R1.71 FCNCc1ccc(cc1)CBr af6bf5b2baed295b176ec1e4c522893c [0,2,0,0,0,0|1,0,1]=4 592 B12R1.71 FCc1ccc(cc1)NCCS 65f87ad2cad6caac71fca2cab443b29c [0,2,0,0,0,0|1,0,1]=4 593 B12R1.71 N#CCNc1ccc(cc1)C=O 04bf5a3c6cba5141c766c10e20b234b2 [0,2,0,0,0,0|0,0,1]=3 594 B12R1.71 N#CCNc1ccc(cn1)C=O fcb07116dc13e571cd4f8d0aac21dcf9 [0,2,0,0,0,0|1,0,1]=4 595 B12R1.71 N#CCNc1ccc(nc1)C=O 8431cf621531f0c9042412d518876442 [0,2,0,0,0,0|1,0,1]=4 596 B12R1.71 N#CCOc1ccc(cc1)C=O 5c97ef8c70604bc8fd7104a6178c4cf1 [0,2,0,0,0,0|0,0,1]=3 597 B12R1.71 N#CCOc1ccc(cc1)N=O d1daa05674bdb892a78181aa8eef31d5 [0,2,0,0,0,0|1,0,1]=4 598 B12R1.71 N#CCOc1ccc(cn1)C=O 47b678142141325491a1f6744b1f51f4 [0,2,0,0,0,0|1,0,1]=4 599 B12R1.71 N#CCOc1ccc(nc1)C=O 0ea5dc1eee6518bef0fdac94bd5fd40d [0,2,0,0,0,0|1,0,1]=4 600 B12R1.71 N#CNCc1ccc(cc1)C=O 4660558f67e22b83d1900b93c7df849c [0,2,0,0,0,0|0,0,1]=3 601 B12R1.71 N#Cc1ccc(cc1)CNC=O aca19e8137913e922029cd4c94a5b812 [0,2,0,0,0,0|1,0,1]=4 602 B12R1.71 N#Cc1ccc(cc1)CNCF 643bdb4fc730a0a55ea9b032ee167f60 [0,2,0,0,0,0|1,0,1]=4 603 B12R1.71 N#Cc1ccc(cc1)CNCO f733af124537525092c09e9c21692920 [0,2,0,0,0,0|1,0,1]=4 604 B12R1.71 N#Cc1ccc(cc1)COCF 67559847288e49c2b05838ed9193791b [0,2,0,0,0,0|1,0,1]=4 605 B12R1.71 N#Cc1ccc(cc1)NCC=O 1ea6c6e8982e96cefa7455b4723b1d0b [0,2,0,0,0,0|1,0,1]=4 606 B12R1.71 N#Cc1ccc(cc1)NCCF caf5fd0ea9cb94c7c25b67d46d1a40c6 [0,2,0,0,0,0|1,0,1]=4 607 B12R1.71 N#Cc1ccc(cc1)NCCO 7880b39acbf6bfe6fb61c5ce82df1a73 [0,2,0,0,0,0|1,0,1]=4 608 B12R1.71 N#Cc1ccc(cc1)NCCS a2d06994e1a13704715f82c2ef074731 [0,2,0,0,0,0|1,0,1]=4 609 B12R1.71 N#Cc1ccc(cc1)OCC=O e8038fbef454a24dfa23d9e633c88c31 [0,2,0,0,0,0|1,0,1]=4 610 B12R1.71 N#Cc1ccc(cc1)OCCF 18c382f3ee4a808c31820235b31e2b40 [0,2,0,0,0,0|1,0,1]=4 611 B12R1.71 N#Cc1ccc(cc1)OCCS 864645f4d4cfc4f4d0ae7d84d2f2b8ef [0,2,0,0,0,0|1,0,1]=4 612 B12R1.71 O=CCNc1ccc(cc1)C=O 88fbc9d33bef5e524f3299598fa9994a [0,2,0,0,0,0|0,0,1]=3 613 B12R1.71 O=CCNc1ccc(cc1)CO 8ec2ba80753d1a8f3e874e37ad76c678 [0,2,0,0,0,0|1,0,0]=3 614 B12R1.71 O=CCNc1ccc(cn1)C=O 79f6ab416dee9c084edc0918e11b4314 [0,2,0,0,0,0|1,0,1]=4 615 B12R1.71 O=CCNc1ccc(cn1)CCl 0a00e034b9efc25d2e72b811c16bb6bf [0,2,0,0,0,0|2,0,0]=4 616 B12R1.71 O=CCNc1ccc(cn1)CO d1099debc5394ff0c545a1178a5a81be [0,2,0,0,0,0|2,0,0]=4 617 B12R1.71 O=CCNc1ccc(nc1)C=O 17e8b385c8fac1c96798e2327f469d55 [0,2,0,0,0,0|1,0,1]=4 618 B12R1.71 O=CCNc1ccc(nc1)CO 47116de7cbe919cfd7ed15ac0c79808b [0,2,0,0,0,0|2,0,0]=4 619 B12R1.71 O=CCOc1ccc(cc1)C=O 09b5d7c02de67a41a0f8cef1d721a351 [0,2,0,0,0,0|0,0,1]=3 620 B12R1.71 O=CCOc1ccc(cc1)N=O d39091425a3f217b5ddd9b58cdd1876a [0,2,0,0,0,0|1,0,1]=4 621 B12R1.71 O=CCOc1ccc(cn1)C=O 2c28b04723aeecf114609588464e26ab [0,2,0,0,0,0|1,0,1]=4 622 B12R1.71 O=CCOc1ccc(nc1)C=O a8fff0d1ba057fd3ac90e9f79cf06296 [0,2,0,0,0,0|1,0,1]=4 623 B12R1.71 O=CNCc1ccc(cc1)CBr e619452e2f894f80a08ae52293ab01a0 [0,2,0,0,0,0|1,0,0]=3 624 B12R1.71 O=CNCc1ccc(cc1)CO 42328e24588255ba4269d483437b154d [0,2,0,0,0,0|1,0,0]=3 625 B12R1.71 O=CNCc1ccc(nc1)CO a46cd0b060b941a3f74f1d152a6ab1c5 [0,2,0,0,0,0|2,0,0]=4 626 B12R1.71 O=Cc1ccc(cc1)COCF 2fed82879f2effc5bed1bb1ecaec03ef [0,2,0,0,0,0|0,0,0]=2 627 B12R1.71 O=Cc1ccc(cc1)NCCF 022e072816ba23b7b7dafb833917e94f [0,2,0,0,0,0|0,0,0]=2 628 B12R1.71 O=Cc1ccc(cc1)NCCO 5a79e9d64e8d05bc2ceaff4bad6f99dc [0,2,0,0,0,0|0,0,0]=2 629 B12R1.71 O=Cc1ccc(cc1)NCCS 32d31e8953c0737facb3e2f1515c2587 [0,2,0,0,0,0|0,0,0]=2 630 B12R1.71 O=Cc1ccc(cc1)OCCF d88859339eeb41baa516f278ae1ceb0e [0,2,0,0,0,0|0,0,0]=2 631 B12R1.71 O=Cc1ccc(cc1)OCCS 36b8ef3998b367449430d6d253a8559f [0,2,0,0,0,0|0,0,0]=2 632 B12R1.71 O=Cc1ccc(cn1)COCF 456b37eba533d10faaa0f34d26841ba0 [0,2,0,0,0,0|1,0,0]=3 633 B12R1.71 O=Cc1ccc(cn1)NCCBr 543044b26ee088d56240c3ca88b4acd5 [0,2,0,0,0,0|1,0,0]=3 634 B12R1.71 O=Cc1ccc(cn1)NCCF b985a565cdcad89c359c4685cff0d021 [0,2,0,0,0,0|1,0,0]=3 635 B12R1.71 O=Cc1ccc(cn1)NCCI eddff64c65da84e03b4508322c73b861 [0,2,0,0,0,0|1,0,0]=3 636 B12R1.71 O=Cc1ccc(cn1)NCCO 5d6199fb7e3b9079a0ac05630108fbdf [0,2,0,0,0,0|1,0,0]=3 637 B12R1.71 O=Cc1ccc(cn1)NCCS d146c77927dccb426e5a8ab8cd4bca22 [0,2,0,0,0,0|1,0,0]=3 638 B12R1.71 O=Cc1ccc(cn1)OCCF 29164b0d9e73fbca902f00a0a9cfec32 [0,2,0,0,0,0|1,0,0]=3 639 B12R1.71 O=Cc1ccc(cn1)OCCS dfc7f92c543e87fd49166fb3d8bdc860 [0,2,0,0,0,0|1,0,0]=3 640 B12R1.71 O=Cc1ccc(nc1)NCCBr a128c20942454cff13181a5f179078e2 [0,2,0,0,0,0|1,0,0]=3 641 B12R1.71 O=Cc1ccc(nc1)NCCF 094ec654a902f118b4fc8e12d1afe74b [0,2,0,0,0,0|1,0,0]=3 642 B12R1.71 O=Cc1ccc(nc1)NCCI 005bc9a5bc382c109a5e015ca1af7a52 [0,2,0,0,0,0|1,0,0]=3 643 B12R1.71 O=Cc1ccc(nc1)NCCO 47cc30807a43c984f4730993b934c327 [0,2,0,0,0,0|1,0,0]=3 644 B12R1.71 O=Cc1ccc(nc1)NCCS c13e557af4b7d7260a3cf6135e4f26f1 [0,2,0,0,0,0|1,0,0]=3 645 B12R1.71 O=Cc1ccc(nc1)OCCF d6a66b87d97d75acb72d0f904fcb0aa1 [0,2,0,0,0,0|1,0,0]=3 646 B12R1.71 O=Cc1ccc(nc1)OCCS aa314f519985bf47cbdc15c4c20a0f7e [0,2,0,0,0,0|1,0,0]=3 647 B12R1.71 O=Cc1ccc(nn1)NCCBr 333b8d981689e4d1b3e29b6cf095cba4 [0,2,0,0,0,0|2,0,0]=4 648 B12R1.71 O=Cc1ccc(nn1)NCCF f0fd97343ba68d23807473f899367d10 [0,2,0,0,0,0|2,0,0]=4 649 B12R1.71 O=Cc1ccc(nn1)NCCI 63fbcc99231f1fce552324c8e1af259a [0,2,0,0,0,0|2,0,0]=4 650 B12R1.71 O=Cc1ccc(nn1)NCCO 4799320bcdf853deec79dd030c70b9d6 [0,2,0,0,0,0|2,0,0]=4 651 B12R1.71 O=Cc1ccc(nn1)NCCS a2417c1345f5884661cbe3c80a9d5ba7 [0,2,0,0,0,0|2,0,0]=4 652 B12R1.71 O=Cc1ccc(nn1)OCCF be9b9f8e7e49b7f7ff734755619f1bff [0,2,0,0,0,0|2,0,0]=4 653 B12R1.71 O=Cc1ccc(nn1)OCCS ded2c7cb025027689e33c565ab83017f [0,2,0,0,0,0|2,0,0]=4 654 B12R1.71 O=Cc1cnc(cn1)NCCF 029125127cfa6579100805ee0f23f3a4 [0,2,0,0,0,0|2,0,0]=4 655 B12R1.71 O=Cc1cnc(cn1)NCCO 175530a8bb5063825d55ed94b91c4976 [0,2,0,0,0,0|2,0,0]=4 656 B12R1.71 O=Cc1cnc(cn1)NCCS 7d05ea55de66f212c755a625273996b6 [0,2,0,0,0,0|2,0,0]=4 657 B12R1.71 O=Cc1cnc(nc1)COCF 0fd8ba15728d42b222167b586a228b8b [0,2,0,0,0,0|2,0,0]=4 658 B12R1.71 O=Cc1cnc(nc1)NCCBr bde0cbc985e8e5f4ac00584cf1d8fc19 [0,2,0,0,0,0|2,0,0]=4 659 B12R1.71 O=Cc1cnc(nc1)NCCF 58e1a259284d0f21711b35a9ee899095 [0,2,0,0,0,0|2,0,0]=4 660 B12R1.71 O=Cc1cnc(nc1)NCCI ff85864cc2580779925e2044fbbcf424 [0,2,0,0,0,0|2,0,0]=4 661 B12R1.71 O=Cc1cnc(nc1)NCCO eb0d481342278e5ef515f6291d26264e [0,2,0,0,0,0|2,0,0]=4 662 B12R1.71 O=Cc1cnc(nc1)NCCS 04090d8a334ae288d73ab0bbfd25a6a8 [0,2,0,0,0,0|2,0,0]=4 663 B12R1.71 O=Cc1cnc(nc1)OCCF dcdd3164f31a1c16c19a56923883ccb7 [0,2,0,0,0,0|2,0,0]=4 664 B12R1.71 O=Cc1cnc(nc1)OCCS d3f24dc479dc26f06cef7342534d6a1f [0,2,0,0,0,0|2,0,0]=4 665 B12R1.71 O=Cc1ncc(cn1)COCF 98b862f2d947347f098f977190b064d5 [0,2,0,0,0,0|2,0,0]=4 666 B12R1.71 O=Cc1ncc(cn1)NCCBr ac9fb9b17f898d0c4050e29fe41fb141 [0,2,0,0,0,0|2,0,0]=4 667 B12R1.71 O=Cc1ncc(cn1)NCCF 463f8c497d5f27b042e7bdaf4463d09e [0,2,0,0,0,0|2,0,0]=4 668 B12R1.71 O=Cc1ncc(cn1)NCCI bff3e582552158f5adaf35c22815aff0 [0,2,0,0,0,0|2,0,0]=4 669 B12R1.71 O=Cc1ncc(cn1)NCCO e897f73d6988f0773513d31ce458d6b5 [0,2,0,0,0,0|2,0,0]=4 670 B12R1.71 O=Cc1ncc(cn1)NCCS bf22f5136f4803367881a3ae5b974c09 [0,2,0,0,0,0|2,0,0]=4 671 B12R1.71 O=Nc1ccc(cc1)OCCF 55786ce9cdd9bfffb651f48a4eb5deb2 [0,2,0,0,0,0|1,0,0]=3 672 B12R1.71 O=Nc1ccc(cc1)OCCS f3c4096b9020ad0b1d93d5d584318a79 [0,2,0,0,0,0|1,0,0]=3 673 B12R1.71 OCCNc1ccc(cc1)CO c903351b0ccbc905223fc1306554066f [0,2,0,0,0,0|0,0,2]=4 674 B12R1.71 OCCNc1ccc(cc1)NO aedc91f1a71b256bdd0f2c8e7b163ac1 [0,2,0,0,0,0|1,0,1]=4 675 B12R1.71 OCNCc1ccc(cc1)CBr 775c3a84add9f73bdaed8c36ad56a2fa [0,2,0,0,0,0|1,0,1]=4 676 B12R1.71 OCNCc1ccc(cc1)CO ab7772b5724a111aac3e4bb689bb54af [0,2,0,0,0,0|0,0,2]=4 677 B12R1.71 OCc1ccc(cc1)CNCF 81ee8cabddc5d665b6e28d581fb31939 [0,2,0,0,0,0|0,0,2]=4 678 B12R1.71 OCc1ccc(cc1)NCCF 46433f593b274de4c65fdc6b5c59cbe7 [0,2,0,0,0,0|0,0,2]=4 679 B12R1.71 OCc1ccc(cc1)NCCS 7069bfbd0cba19875e4f5dce90cf80dc [0,2,0,0,0,0|0,0,2]=4 680 B12R1.71 ONc1ccc(cc1)NCCS 2234315261dfd8daf379292d763af9aa [0,2,0,0,0,0|1,0,1]=4 681 B12R1.71 SCCNc1ccc(cc1)CS 5fe0859c81872094cc44e50748fd441a [0,2,0,0,0,0|0,1,1]=4 682 B12R1.114 C#Cc1ccc(c(c1)C)NC=O d3994d7a0876a564dc29f53ad07cfe33 [0,2,0,0,0,0|0,0,2]=4 683 B12R1.114 C#Cc1ccc(c(c1)C)NCC af5b9bf166acfebfffa6e97b91ab35f2 [0,2,0,0,0,0|1,0,1]=4 684 B12R1.114 C#Cc1ccc(c(c1)Cl)NC=O eeed724dd50abc143d94643272dc27bc [0,2,0,0,0,0|0,0,2]=4 685 B12R1.114 C#Cc1ccc(c(c1)Cl)NCC e72233a73646660c92ecd3dbd2581e34 [0,2,0,0,0,0|1,0,1]=4 686 B12R1.114 C#Cc1ccc(c(c1)F)NC=O 5ec3c8904ac5ee894bb6e28f8064cb5d [0,2,0,0,0,0|0,0,2]=4 687 B12R1.114 C#Cc1ccc(c(c1)F)NCC d7ecd5ee91a3428034c0e4ed69e12821 [0,2,0,0,0,0|1,0,1]=4 688 B12R1.114 C=Cc1ccc(c(c1)I)OCC 7b28a4a5be85bacb2939f94b214e3379 [0,2,0,0,0,0|1,0,0]=3 689 B12R1.114 C=Cc1ccc(c(c1)I)OCF 292312124f3b323814e2390fc8d6e61c [0,2,0,0,0,0|2,0,0]=4 690 B12R1.114 CCNc1ccc(cc1Br)C#N 2017bf3a7b1a172eda989a128f10761d [0,2,0,0,0,0|1,0,1]=4 691 B12R1.114 CCNc1ccc(cc1Br)C=O a8d19195f9fa918e3a01fe351056bf90 [0,2,0,0,0,0|0,0,0]=2 692 B12R1.114 CCNc1ccc(cc1Br)CC 210e9a8348e9777b3e50c28d2efd101f [0,2,0,0,0,0|1,0,1]=4 693 B12R1.114 CCNc1ccc(cc1Br)CO 8f07aa098d8478c6926758cef710b55b [0,2,0,0,0,0|0,0,2]=4 694 B12R1.114 CCNc1ccc(cc1Br)OC b1e147cacfa4a7f9c53768bb6193a555 [0,2,0,0,0,0|2,0,0]=4 695 B12R1.114 CCNc1ccc(cc1C)C#N f5ad0a30cdf007bce5d22164252fa098 [0,2,0,0,0,0|1,0,1]=4 696 B12R1.114 CCNc1ccc(cc1C)CC 25275062c3fdb810d246cb79e61a857f [0,2,0,0,0,0|1,0,1]=4 697 B12R1.114 CCNc1ccc(cc1C)CO fce9e0dabf540098b6e4e49ca5c4e98c [0,2,0,0,0,0|0,0,2]=4 698 B12R1.114 CCNc1ccc(cc1C)OC acbed43b8715c8ac6d98756bc2119fe3 [0,2,0,0,0,0|2,0,0]=4 699 B12R1.114 CCNc1ccc(cc1C)SC 8bade292de97a4e84c2f52fdf79d0f16 [0,2,0,0,0,0|2,0,0]=4 700 B12R1.114 CCNc1ccc(cc1Cl)C#N be992bdd852504430b7a8408445035b2 [0,2,0,0,0,0|1,0,1]=4 701 B12R1.114 CCNc1ccc(cc1Cl)CC bca96b8444a430bd2125861308fa38b4 [0,2,0,0,0,0|1,0,1]=4 702 B12R1.114 CCNc1ccc(cc1Cl)CO dec9c2839d4a25e5305a2da952106621 [0,2,0,0,0,0|0,0,2]=4 703 B12R1.114 CCNc1ccc(cc1Cl)OC 2517d95b395e626f3bae70fe424ceffc [0,2,0,0,0,0|2,0,0]=4 704 B12R1.114 CCNc1ccc(cc1F)C#N 024eb410e9f5de8583efe1021534d22c [0,2,0,0,0,0|1,0,1]=4 705 B12R1.114 CCNc1ccc(cc1F)CC 475609015ed055350bda606115d52a5d [0,2,0,0,0,0|1,0,1]=4 706 B12R1.114 CCNc1ccc(cc1F)CO 4aeb5f80a92f779ad76d49854cfb0c56 [0,2,0,0,0,0|0,0,2]=4 707 B12R1.114 CCNc1ccc(cc1F)OC eff752696436e3c15cc1f0787fd9adf0 [0,2,0,0,0,0|2,0,0]=4 708 B12R1.114 CCNc1ccc(cc1F)SC 1a916daee805b77017ee1ff28c73edac [0,2,0,0,0,0|2,0,0]=4 709 B12R1.114 CCNc1ccc(cc1I)C#N 85ab5d5d47e68533cb6b7d1ca2953276 [0,2,0,0,0,0|1,0,1]=4 710 B12R1.114 CCNc1ccc(cc1I)CC 29f45169f37689ade8b72536561c76f5 [0,2,0,0,0,0|1,0,1]=4 711 B12R1.114 CCNc1ccc(cc1I)CO 6c034d3a97e1e18902bdc5f292547158 [0,2,0,0,0,0|0,0,2]=4 712 B12R1.114 CCNc1ccc(cc1I)OC ec8d456a49a196c741c38e76b5454eec [0,2,0,0,0,0|2,0,0]=4 713 B12R1.114 CCNc1ccc(cc1S)OC fa0f649ddc93154983b39d71cdb45845 [0,2,0,0,0,0|2,0,0]=4 714 B12R1.114 CCNc1ccc(nc1C)C=O 95a04d07488e10ab7a16c34629bd54b6 [0,2,0,0,0,0|1,0,0]=3 715 B12R1.114 CCNc1ncc(cc1Br)C=O bb6236d611ef1db2d59fcac0f3f4ff62 [0,2,0,0,0,0|1,0,0]=3 716 B12R1.114 CCOc1ccc(cc1Br)C#N 3796e60fa2875f2d6a27111f8ea9eb47 [0,2,0,0,0,0|1,0,1]=4 717 B12R1.114 CCOc1ccc(cc1Br)C=O e0b533ea3d47f93cb2475b3fad51d52a [0,2,0,0,0,0|0,0,0]=2 718 B12R1.114 CCOc1ccc(cc1Br)CC 4fa31ea33618bcda7207aa3892f572b6 [0,2,0,0,0,0|1,0,1]=4 719 B12R1.114 CCOc1ccc(cc1Br)OC dc86003f9d22430c6adb36465be33115 [0,2,0,0,0,0|2,0,0]=4 720 B12R1.114 CCOc1ccc(cc1Br)SC 41a326e6f0b10e896447fffacd8f2b9c [0,2,0,0,0,0|2,0,0]=4 721 B12R1.114 CCOc1ccc(cc1C)C#N 345c184192a0959bc7000ea9dcb5464f [0,2,0,0,0,0|1,0,1]=4 722 B12R1.114 CCOc1ccc(cc1C)C=O a490f9d45f869d40ff530581209ac98b [0,2,0,0,0,0|0,0,0]=2 723 B12R1.114 CCOc1ccc(cc1C)CC d39dd963eb55b563761f4b1e33db17c6 [0,2,0,0,0,0|1,0,1]=4 724 B12R1.114 CCOc1ccc(cc1C)OC 59795038146e64bc9fe83fb43ffe9bd0 [0,2,0,0,0,0|2,0,0]=4 725 B12R1.114 CCOc1ccc(cc1C)SC 2d7808eafdf2a1715d091c8ccf0f38f6 [0,2,0,0,0,0|2,0,0]=4 726 B12R1.114 CCOc1ccc(cc1Cl)C#N b717a326d770a00c2c606364d65ccb07 [0,2,0,0,0,0|1,0,1]=4 727 B12R1.114 CCOc1ccc(cc1Cl)C=O 36f23ce16047cc5a153aa6d0c701da0c [0,2,0,0,0,0|0,0,0]=2 728 B12R1.114 CCOc1ccc(cc1Cl)CC d781d70714056ba57b7a89fb94038621 [0,2,0,0,0,0|1,0,1]=4 729 B12R1.114 CCOc1ccc(cc1Cl)OC 07ae7103ee76cfd76cd580510d01c1aa [0,2,0,0,0,0|2,0,0]=4 730 B12R1.114 CCOc1ccc(cc1F)C#N 5b50cd2d4c360949ba82442b00db8ae2 [0,2,0,0,0,0|1,0,1]=4 731 B12R1.114 CCOc1ccc(cc1F)C=O 0b8e1b6cef1ad04dbfe8bca13899108b [0,2,0,0,0,0|0,0,0]=2 732 B12R1.114 CCOc1ccc(cc1F)OC f590a84ebc2e54af410e056abdea8ea4 [0,2,0,0,0,0|2,0,0]=4 733 B12R1.114 CCOc1ccc(cc1I)C#N e857f00188bee30fa08321f496a5c162 [0,2,0,0,0,0|1,0,1]=4 734 B12R1.114 CCOc1ccc(cc1I)C=O cb2d87ab1f12c2292b2d499d6acc7d39 [0,2,0,0,0,0|0,0,0]=2 735 B12R1.114 CCOc1ccc(cc1I)OC 6a50611d1d13b3ad8aaf5692c2e7e8a1 [0,2,0,0,0,0|2,0,0]=4 736 B12R1.114 CCOc1ccc(nc1Br)C=O 6daa3fb47e146552207e576949955f9f [0,2,0,0,0,0|1,0,0]=3 737 B12R1.114 CCOc1ncc(cc1C)C=O d05a620811a8dabec6581a53b1e2ab90 [0,2,0,0,0,0|1,0,0]=3 738 B12R1.114 CCOc1ncc(cc1Cl)C=O 6adab60fa052796ad11da8042630e576 [0,2,0,0,0,0|1,0,0]=3 739 B12R1.114 CCOc1ncc(cc1F)C=O a173eb518e5c90583b5f0ffb0d7ce567 [0,2,0,0,0,0|1,0,0]=3 740 B12R1.114 CCc1ccc(c(c1)Br)NC=O bb626aee8574821c1920417c64f7e044 [0,2,0,0,0,0|0,0,0]=2 741 B12R1.114 CCc1ccc(c(c1)Br)NCF db1e48ff57d00f34dac4349c53d0e097 [0,2,0,0,0,0|1,0,1]=4 742 B12R1.114 CCc1ccc(c(c1)Br)NCO 4952066665a8bb7960d83f15ca303339 [0,2,0,0,0,0|0,0,2]=4 743 B12R1.114 CCc1ccc(c(c1)Br)OCF e7cc2b358293408f1d89cdea7fe3e891 [0,2,0,0,0,0|1,0,1]=4 744 B12R1.114 CCc1ccc(c(c1)C)NC=O 94ee0583a187e98b9a2ab55c2aa723f2 [0,2,0,0,0,0|0,0,0]=2 745 B12R1.114 CCc1ccc(c(c1)C)NCF 8a8da9d3d4a8814091a854cea24702f3 [0,2,0,0,0,0|1,0,1]=4 746 B12R1.114 CCc1ccc(c(c1)C)NCO 38d0f5aeb71b612a349caea4753250d5 [0,2,0,0,0,0|0,0,2]=4 747 B12R1.114 CCc1ccc(c(c1)C)OCF 00c32d592795b30cb82a919c84d13bf6 [0,2,0,0,0,0|1,0,1]=4 748 B12R1.114 CCc1ccc(c(c1)Cl)NC=O c8a0372f4ef0df3f415ee74757233034 [0,2,0,0,0,0|0,0,0]=2 749 B12R1.114 CCc1ccc(c(c1)Cl)NCF 215ae6a095673dcf7845c0a4b0d12536 [0,2,0,0,0,0|1,0,1]=4 750 B12R1.114 CCc1ccc(c(c1)Cl)NCO 53e3b75516045a9a9ea70193470915fd [0,2,0,0,0,0|0,0,2]=4 751 B12R1.114 CCc1ccc(c(c1)Cl)OCF ec48432eabc6a5f372c9e85302e16e42 [0,2,0,0,0,0|1,0,1]=4 752 B12R1.114 CCc1ccc(c(c1)F)NC=O 608a28a60e7afbbdaf447efa61a62591 [0,2,0,0,0,0|0,0,0]=2 753 B12R1.114 CCc1ccc(c(c1)F)NCF e0da04076f7e3f6b91882f6b6c233e86 [0,2,0,0,0,0|1,0,1]=4 754 B12R1.114 CCc1ccc(c(c1)F)NCO 2217130d8e03b7340f846e768d7618ba [0,2,0,0,0,0|0,0,2]=4 755 B12R1.114 CCc1ccc(c(c1)I)NC=O 86edc075f5ad9fb86be5c5a1785c069e [0,2,0,0,0,0|0,0,0]=2 756 B12R1.114 CCc1ccc(c(c1)I)NCF c4c418d8abd69bf0553bc1a514d4bc35 [0,2,0,0,0,0|1,0,1]=4 757 B12R1.114 CCc1ccc(c(c1)I)NCO 31ed69439e5c2b4d776a7ae4bba82ce9 [0,2,0,0,0,0|0,0,2]=4 758 B12R1.114 CCc1ccc(c(c1)O)NC=O 2abe6308f2821186ef6d59c4e362e9e9 [0,2,0,0,0,0|0,0,0]=2 759 B12R1.114 CCc1cnc(c(n1)Cl)NC=O 5ce03a73bca6266634d66b20cc72d520 [0,2,0,0,0,0|2,0,0]=4 760 B12R1.114 COc1cc(c(cn1)NC=O)C 9db76da73cd2beea4c9cb1178685141f [0,2,0,0,0,0|2,0,0]=4 761 B12R1.114 COc1ccc(c(c1)Br)NC=O ddfae5424e591c9a4271562dad39b55c [0,2,0,0,0,0|1,0,0]=3 762 B12R1.114 COc1ccc(c(c1)C)NC=O 98ed649e3c6a6beea83c3f234c39afbc [0,2,0,0,0,0|1,0,0]=3 763 B12R1.114 COc1ccc(c(c1)Cl)NC=O 2f163d7a323be911d6187a35c0d31531 [0,2,0,0,0,0|1,0,0]=3 764 B12R1.114 COc1ccc(c(c1)F)NC=O 0f17e1ed21050e32656f4ab79ca4efc0 [0,2,0,0,0,0|1,0,0]=3 765 B12R1.114 COc1ccc(c(c1)I)NC=O 2967a843e5dc03d505dbf287f0d6bc5d [0,2,0,0,0,0|1,0,0]=3 766 B12R1.114 COc1ccc(c(c1)O)NC=O 233025286c1dac51b30196669450cf92 [0,2,0,0,0,0|1,0,0]=3 767 B12R1.114 COc1ccc(c(c1)S)NC=O eba7f1b809452b9198b40b862ca33149 [0,2,0,0,0,0|1,0,0]=3 768 B12R1.114 COc1ccc(c(n1)C)NC=O 4a12a717667e42744f6cb1d1f624bda7 [0,2,0,0,0,0|2,0,0]=4 769 B12R1.114 COc1ccc(c(n1)F)NC=O 8a6951ed91f2d3e97009b1963a1e33a1 [0,2,0,0,0,0|2,0,0]=4 770 B12R1.114 COc1cnc(c(c1)C)NC=O bbbe27af149c37a6197ee93b01b6976f [0,2,0,0,0,0|2,0,0]=4 771 B12R1.114 COc1cnc(c(c1)F)NC=O 1b7969dce01250dcc59b5ddd189defd4 [0,2,0,0,0,0|2,0,0]=4 772 B12R1.114 CSc1ccc(c(c1)C)NC=O 9a48d57394962e5bd02eb8767c1d8906 [0,2,0,0,0,0|1,0,0]=3 773 B12R1.114 CSc1ccc(c(c1)F)NC=O 3e5df1557c540d35270d1ac332a5fa8a [0,2,0,0,0,0|1,0,0]=3 774 B12R1.114 Cc1cc(ccc1NC=O)C#N 4e3a7c2565bbbcb754fe6258d0f2c706 [0,2,0,0,0,0|1,0,1]=4 775 B12R1.114 Cc1cc(ccc1NC=O)CO 1eda6d0a1c8db0a37801584a8075b1c2 [0,2,0,0,0,0|1,0,0]=3 776 B12R1.114 Cc1cc(ccc1OCF)C=O 45959dfaed1aafa69cade8faa973fa7d [0,2,0,0,0,0|1,0,0]=3 777 B12R1.114 Cc1cc(cnc1OCF)C=O 9284dfa91b0d09ed68833ba95e72a178 [0,2,0,0,0,0|2,0,0]=4 778 B12R1.114 Cc1nc(ccc1NC=O)CO e04c1f026b592352b18f478a523e3ad2 [0,2,0,0,0,0|2,0,0]=4 779 B12R1.114 Cc1nc(ccc1NCF)C=O ffd4674f86f380ec0b505a14800b64ff [0,2,0,0,0,0|2,0,0]=4 780 B12R1.114 Cc1nc(ccc1NCO)C=O 429b14d1fd6163cf3a353d5a494c3539 [0,2,0,0,0,0|2,0,0]=4 781 B12R1.114 N#Cc1ccc(c(c1)Cl)NC=O 30a2da7a8b7f56bfe40d4bfb7723d6fb [0,2,0,0,0,0|1,0,1]=4 782 B12R1.114 N#Cc1ccc(c(c1)F)NC=O e52a346aec1fdacb958841dcac825386 [0,2,0,0,0,0|1,0,1]=4 783 B12R1.114 N#Cc1ccc(c(c1)I)NC=O 57cf478dda5f5beb7b9f1f39ce7f708a [0,2,0,0,0,0|1,0,1]=4 784 B12R1.114 O=CNc1ccc(cc1F)CO 53ec808293e8a892dc7d2ea6cb922367 [0,2,0,0,0,0|1,0,0]=3 785 B12R1.114 O=CNc1ccc(cc1I)CO 8ad5090b8c96903fc66dba1ef7fd642e [0,2,0,0,0,0|1,0,0]=3 786 B12R1.114 O=Cc1ccc(c(c1)Br)NCF c732222b9bc65825c549bea3715cc3b3 [0,2,0,0,0,0|1,0,0]=3 787 B12R1.114 O=Cc1ccc(c(c1)Br)NCO 0387cf7742574e4b1d1e87b461380c55 [0,2,0,0,0,0|1,0,0]=3 788 B12R1.114 O=Cc1ccc(c(c1)Cl)OCF dd45a0502687b371736841ac71d0948f [0,2,0,0,0,0|1,0,0]=3 789 B12R1.114 O=Cc1ccc(c(c1)F)OCF ef0833380c125e634eb95237b97ebca7 [0,2,0,0,0,0|1,0,0]=3 790 B12R1.114 O=Cc1ccc(c(c1)I)OCF 725448561840d4dc4ea691d62bbc4d52 [0,2,0,0,0,0|1,0,0]=3 791 B12R1.114 O=Cc1ccc(c(n1)Br)OCF 225cb473f736e4f7db3c93c1cdd0b902 [0,2,0,0,0,0|2,0,0]=4 792 B12R1.114 O=Cc1cnc(c(c1)Br)NCF 008235906fba0f8964518dd08b6c508d [0,2,0,0,0,0|2,0,0]=4 793 B12R1.114 O=Cc1cnc(c(c1)Br)NCO 5c9d3a1ef7f6757965d975f18d9a5a19 [0,2,0,0,0,0|2,0,0]=4 794 B12R1.114 O=Cc1cnc(c(c1)Cl)OCF 230359077f1b209b75f3a78f427a18eb [0,2,0,0,0,0|2,0,0]=4 795 B12R1.114 O=Cc1cnc(c(c1)F)OCF 81df05f5f19eaca2b94692bb70f2588b [0,2,0,0,0,0|2,0,0]=4 796 B12R1.116 C#CCc1ccc(cc1)OCC 217fd972950ef60d01ba20031e1c54d2 [0,2,0,0,0,0|1,0,1]=4 797 B12R1.116 C=CCc1ccc(cc1)NC=O 7d8cdeb15f478123758cab5900c4fe41 [0,2,0,0,0,0|0,0,1]=3 798 B12R1.116 C=CCc1ccc(cc1)NCC 76cf3f6839e9819fdc0ccabbe1cba9a6 [0,2,0,0,0,0|1,0,0]=3 799 B12R1.116 C=CCc1ccc(cc1)NCF 8195ae7c4eff70f8049cff3cc284be29 [0,2,0,0,0,0|2,0,0]=4 800 B12R1.116 C=CCc1ccc(cc1)NCO 6baea3b81ead57f4ec52f061cab762ea [0,2,0,0,0,0|2,0,0]=4 801 B12R1.116 C=CCc1ccc(cc1)OCC e0366c1eaff6d402c4574bf903ad8f07 [0,2,0,0,0,0|1,0,0]=3 802 B12R1.116 C=CCc1ccc(cc1)OCF e067c7b0d3f177dbfecf720e8bbd3c28 [0,2,0,0,0,0|2,0,0]=4 803 B12R1.116 CCCc1ccc(cc1)NC=O aa18d4d4986e694d624f91117086e0d4 [0,2,0,0,0,0|0,0,0]=2 804 B12R1.116 CCCc1ccc(cc1)NCC 905c43004537010e264598b20c1cdd02 [0,2,0,0,0,0|1,0,1]=4 805 B12R1.116 CCCc1ccc(cc1)NCF afe48992e285551fbbecfcb2c7685970 [0,2,0,0,0,0|1,0,1]=4 806 B12R1.116 CCCc1ccc(cc1)NCO 428b7a12bce35053ad8cbd8e28c492c3 [0,2,0,0,0,0|0,0,2]=4 807 B12R1.116 CCCc1ccc(cc1)OCF 888893c523a3fe7879a9c7d418f35d17 [0,2,0,0,0,0|1,0,1]=4 808 B12R1.116 CCNc1ccc(cc1)CC#N 65231e28458245695241f6ccd544133b [0,2,0,0,0,0|1,0,1]=4 809 B12R1.116 CCNc1ccc(cc1)CCBr a13589b7bc423db3312e19b8f2a5e22a [0,2,0,0,0,0|1,0,1]=4 810 B12R1.116 CCNc1ccc(cc1)CCO a95accf379cea510f57d44904cc207c0 [0,2,0,0,0,0|0,0,2]=4 811 B12R1.116 CCNc1ccc(cc1)COC b610a9d71b5ba60f3928bbf09d0e5492 [0,2,0,0,0,0|0,0,2]=4 812 B12R1.116 CCNc1ccc(cc1)CSC 5433b1f0a74c0b5fa3877354c85b99f9 [0,2,0,0,0,0|0,1,1]=4 813 B12R1.116 CCNc1ccc(cc1)OCC 532b1e64c07417441c842e1b966cfedc [0,2,0,0,0,0|1,0,1]=4 814 B12R1.116 CCNc1ccc(cc1)OCF 8134a8e4d6947fcd0ff91985276d57bf [0,2,0,0,0,0|1,0,1]=4 815 B12R1.116 CCNc1ccc(cc1)SC#N 2f8c397c77d393ddd61e68aadf97f0d9 [0,2,0,0,0,0|1,0,1]=4 816 B12R1.116 CCOc1ccc(cc1)CC#N 1bde56eb0d31b50c9403a5cddb293beb [0,2,0,0,0,0|1,0,1]=4 817 B12R1.116 CCOc1ccc(cc1)CC=O d396566923ca8b1263eeb7e7a1a9ca05 [0,2,0,0,0,0|0,0,0]=2 818 B12R1.116 CCOc1ccc(cc1)CCF 8e58c47608395f795be3a7e7c7f73e0d [0,2,0,0,0,0|1,0,1]=4 819 B12R1.116 CCOc1ccc(cc1)COC d54c81061959349a004f1282a936bd96 [0,2,0,0,0,0|0,0,2]=4 820 B12R1.116 CCOc1ccc(cc1)NC=O b2a95d08ee862dc8f9740ff99ca19d37 [0,2,0,0,0,0|0,0,0]=2 821 B12R1.116 CCOc1ccc(cc1)NCF eb00be5f7999409b139ec10bac3f698d [0,2,0,0,0,0|1,0,1]=4 822 B12R1.116 CCOc1ccc(cc1)NCO 30cd6a89be1ee5274c318c0b4fadddb2 [0,2,0,0,0,0|0,0,2]=4 823 B12R1.116 CCOc1ccc(cc1)OCC 38ab91c66f4b734b7bb132e224ee9558 [0,2,0,0,0,0|1,0,1]=4 824 B12R1.116 CCOc1ccc(cc1)OCF 137f0af2e139655f0b28e21c6a56b133 [0,2,0,0,0,0|1,0,1]=4 825 B12R1.116 CCOc1ccc(cc1)SCC 2be5fc0761daf22311becb0191f9348d [0,2,0,0,0,0|1,0,1]=4 826 B12R1.116 CCOc1ccc(cn1)NC=O da6331fe5425d4b576381760a5319c9f [0,2,0,0,0,0|1,0,0]=3 827 B12R1.116 CCOc1ccc(nc1)NC=O 4191d5d00414a1957545a6be816ef7ae [0,2,0,0,0,0|1,0,0]=3 828 B12R1.116 CCOc1ccc(nn1)NC=O 5c02c6ed98394fb3e0df08c0483e98b1 [0,2,0,0,0,0|2,0,0]=4 829 B12R1.116 CCOc1cnc(cn1)NC=O 3774d3ffeaf44d2b514700ed443ca30c [0,2,0,0,0,0|2,0,0]=4 830 B12R1.116 CCOc1ncc(cn1)NC=O ade10ec6fa6179d11e1ea59a751c51c0 [0,2,0,0,0,0|2,0,0]=4 831 B12R1.116 CCSc1ccc(cc1)OCF 002df6a8f93d9b5714e218fc645e5fa5 [0,2,0,0,0,0|1,0,1]=4 832 B12R1.116 COCc1ccc(cc1)NC=O d77b1cdc2fbf93e7688cef0ab91e7ec7 [0,2,0,0,0,0|0,0,0]=2 833 B12R1.116 COCc1ccc(cc1)NCF 131edac556f17ca171860ccf6e35cc75 [0,2,0,0,0,0|1,0,1]=4 834 B12R1.116 COCc1ccc(cc1)NCO 64c9edf13233cbcd6af31dc509e959b3 [0,2,0,0,0,0|0,0,2]=4 835 B12R1.116 COCc1ccc(cc1)OCF e95b5e21eea05cdc15b1ea5720eac490 [0,2,0,0,0,0|1,0,1]=4 836 B12R1.116 CSCc1ccc(cc1)NC=O d86b6d63ddc26225271756dd0ed3d5d0 [0,2,0,0,0,0|0,0,0]=2 837 B12R1.116 CSCc1ccc(cc1)NCF 609e730778c554ef393de6916e937b52 [0,2,0,0,0,0|1,0,1]=4 838 B12R1.116 CSCc1ccc(cc1)NCO cdb2607fb6f97f00e4c9b33d265a4e99 [0,2,0,0,0,0|0,0,2]=4 839 B12R1.116 FCCc1ccc(cc1)OCF 6adaf09a79baa9b987d71649c0e0d889 [0,2,0,0,0,0|1,0,1]=4 840 B12R1.116 FCNc1ccc(cc1)CCBr d00a961a7150126e1efcbf83f40e3302 [0,2,0,0,0,0|1,0,1]=4 841 B12R1.116 N#CCc1ccc(cc1)NC=O 2cddf7ea2a272b2858da1db831867504 [0,2,0,0,0,0|0,0,1]=3 842 B12R1.116 N#CCc1ccc(cn1)NC=O 26adc894d15e40b265cf868ba27f284a [0,2,0,0,0,0|1,0,1]=4 843 B12R1.116 N#CNc1ccc(cc1)CC=O d0b729cd33d977814f9feca65eb7feab [0,2,0,0,0,0|1,0,1]=4 844 B12R1.116 N#CNc1ccc(cc1)CCO 9a91cefd611d2c42dfe81147ee742ef7 [0,2,0,0,0,0|1,0,1]=4 845 B12R1.116 N#CNc1ccc(cc1)NC=O a650d02355923112ee8f9a926e23f79f [0,2,0,0,0,0|1,0,1]=4 846 B12R1.116 N#CSc1ccc(cc1)NC=O a824a531df1f36d15e0b3d7ebfe85367 [0,2,0,0,0,0|1,0,1]=4 847 B12R1.116 O=CCc1ccc(cc1)OCF 9870f5aa35243ec3b3c997dda6c0ddd5 [0,2,0,0,0,0|1,0,0]=3 848 B12R1.116 O=CNc1ccc(cc1)CCBr 5e21c8f8accd603f00e48348bd2db86a [0,2,0,0,0,0|0,0,0]=2 849 B12R1.116 O=CNc1ccc(cc1)CCO 23a360879cf3725f1c436b5bd4d67e8e [0,2,0,0,0,0|0,0,0]=2 850 B12R1.116 O=CNc1ccc(cc1)OCF e04836327428587b8e216a769a7750c1 [0,2,0,0,0,0|1,0,0]=3 851 B12R1.116 OCCc1ccc(cc1)NCF 01a75113bfdb96733a673955714c8ed9 [0,2,0,0,0,0|1,0,1]=4 852 B12R1.116 OCCc1ccc(cc1)NCO 921ccbe6f94a546264ee4819a770db36 [0,2,0,0,0,0|0,0,2]=4 853 B12R1.116 OCNc1ccc(cc1)CCBr 9a93aa5185dbef9d28270e7b66cc5a72 [0,2,0,0,0,0|0,0,2]=4 854 B12R1.288 C#Cc1ccc(cc1Cl)NCC eec3f15a6ac2090198d3c85c263c72b7 [0,2,0,0,0,0|1,0,1]=4 855 B12R1.288 C#Cc1ccc(cc1F)NC=O 6c0e6c2427420d45fe04aea1bc17a964 [0,2,0,0,0,0|0,0,2]=4 856 B12R1.288 C#Cc1ccc(cc1F)NCC 180da8b0190cf662fded9f372dd4f062 [0,2,0,0,0,0|1,0,1]=4 857 B12R1.288 CCNc1ccc(c(c1)Br)C#N 3092db81f81df89bc1ecca83aa6b59e3 [0,2,0,0,0,0|1,0,1]=4 858 B12R1.288 CCNc1ccc(c(c1)Br)C=O 453bfa34686a671bdab29003e2c4cec1 [0,2,0,0,0,0|0,0,0]=2 859 B12R1.288 CCNc1ccc(c(c1)Br)CC 2d3367c0d6131e24439d1ac1025238d5 [0,2,0,0,0,0|1,0,1]=4 860 B12R1.288 CCNc1ccc(c(c1)Br)CO 793d3b083aa8f9a8fa41c14400a4de03 [0,2,0,0,0,0|0,0,2]=4 861 B12R1.288 CCNc1ccc(c(c1)Br)OC f33755073e5a2f1b32a0c367ee8308cc [0,2,0,0,0,0|2,0,0]=4 862 B12R1.288 CCNc1ccc(c(c1)C)C#N 5bdbff4d5c46ac6657313dd93c474546 [0,2,0,0,0,0|1,0,1]=4 863 B12R1.288 CCNc1ccc(c(c1)C)CO aa120557ba157a55476be22665067272 [0,2,0,0,0,0|0,0,2]=4 864 B12R1.288 CCNc1ccc(c(c1)C)OC 5a357e499dde1220b4dac4279cc340ef [0,2,0,0,0,0|2,0,0]=4 865 B12R1.288 CCNc1ccc(c(c1)Cl)C#N 2aa9d5fff071cfe0b19b75d8dc76c83a [0,2,0,0,0,0|1,0,1]=4 866 B12R1.288 CCNc1ccc(c(c1)Cl)C=O 1e58c995af2ed33eb148058b09c81fa8 [0,2,0,0,0,0|0,0,0]=2 867 B12R1.288 CCNc1ccc(c(c1)Cl)CC 7a721a2a1f20e11a90dfcfb7e707b3e2 [0,2,0,0,0,0|1,0,1]=4 868 B12R1.288 CCNc1ccc(c(c1)Cl)CO 78772761602bc3875ff07d1d8e71c02b [0,2,0,0,0,0|0,0,2]=4 869 B12R1.288 CCNc1ccc(c(c1)Cl)OC 5e37cf78a06e808f96e2e50f64d78827 [0,2,0,0,0,0|2,0,0]=4 870 B12R1.288 CCNc1ccc(c(c1)Cl)SC af8435d65b52e42ebc5a44a77342d4d4 [0,2,0,0,0,0|2,0,0]=4 871 B12R1.288 CCNc1ccc(c(c1)F)C#N dccc9b3dc521d5706fe9f2647398422e [0,2,0,0,0,0|1,0,1]=4 872 B12R1.288 CCNc1ccc(c(c1)F)C=O 71fcbba248cbaacf38d87632f1239d49 [0,2,0,0,0,0|0,0,0]=2 873 B12R1.288 CCNc1ccc(c(c1)F)CO af921b4582a5722f7a380b496d79767f [0,2,0,0,0,0|0,0,2]=4 874 B12R1.288 CCNc1ccc(c(c1)F)OC 8c0a18cfa5742be403f36667110ea17e [0,2,0,0,0,0|2,0,0]=4 875 B12R1.288 CCNc1ccc(c(c1)F)SC 78190f66367f27cd6f258b7cf72e4fd1 [0,2,0,0,0,0|2,0,0]=4 876 B12R1.288 CCNc1ccc(c(c1)I)CO 0973177f1fb0dc020f77d73cf881b1e2 [0,2,0,0,0,0|0,0,2]=4 877 B12R1.288 CCNc1ccc(c(c1)I)OC 7f04137b2021df2eef8ea4b417ce4caf [0,2,0,0,0,0|2,0,0]=4 878 B12R1.288 CCNc1ccc(c(n1)C)C=O 0fdab1966e064682d64bc1efd93a6e5e [0,2,0,0,0,0|1,0,0]=3 879 B12R1.288 CCNc1ncc(c(=O)[nH]1)C=O afdfb994185eaa64cffbcefffd7d3300 [0,2,0,0,0,0|2,0,0]=4 880 B12R1.288 CCNc1ncc(c(n1)C)C=O e2b113c8f2a2d58b9b7b6363645fbd7e [0,2,0,0,0,0|2,0,0]=4 881 B12R1.288 CCNc1ncc(c(n1)Cl)C=O 1ae0ff0b1da2f130785510a08e2a89f9 [0,2,0,0,0,0|2,0,0]=4 882 B12R1.288 CCOc1ccc(c(c1)Br)C#N a9f95230211e9240ac3a7e17aa95c0d6 [0,2,0,0,0,0|1,0,1]=4 883 B12R1.288 CCOc1ccc(c(c1)Br)C=O 2b1f24fade03fde71f80ba0e00389b3c [0,2,0,0,0,0|0,0,0]=2 884 B12R1.288 CCOc1ccc(c(c1)Br)CC 0599b6f3a186e3146a3c2faba5fd31a2 [0,2,0,0,0,0|1,0,1]=4 885 B12R1.288 CCOc1ccc(c(c1)Br)OC eb16c24b24c083bcaf5993d2501889d4 [0,2,0,0,0,0|2,0,0]=4 886 B12R1.288 CCOc1ccc(c(c1)C)C#N ca762e80bbf87768c52478c2b6df201c [0,2,0,0,0,0|1,0,1]=4 887 B12R1.288 CCOc1ccc(c(c1)C)C=O 9263f779ce60fda3ccf45ae44ec66185 [0,2,0,0,0,0|0,0,0]=2 888 B12R1.288 CCOc1ccc(c(c1)C)OC f971b9cac535e9e0fda2d524a5fae79d [0,2,0,0,0,0|2,0,0]=4 889 B12R1.288 CCOc1ccc(c(c1)C)SC 252c2c72e59ee2005a95a8e0003145af [0,2,0,0,0,0|2,0,0]=4 890 B12R1.288 CCOc1ccc(c(c1)Cl)C#N a2f619a1fec578b1f29afeec5f466360 [0,2,0,0,0,0|1,0,1]=4 891 B12R1.288 CCOc1ccc(c(c1)Cl)C=O 3cf78651626f3c17868c313afa6977ff [0,2,0,0,0,0|0,0,0]=2 892 B12R1.288 CCOc1ccc(c(c1)Cl)CC 47e969f863ce2ff770fe9bada1f606ac [0,2,0,0,0,0|1,0,1]=4 893 B12R1.288 CCOc1ccc(c(c1)Cl)OC 7c8d7fd4fe679eba974f97a0e07c291e [0,2,0,0,0,0|2,0,0]=4 894 B12R1.288 CCOc1ccc(c(c1)Cl)SC 102022007a76eab0c17e7ebebaaf4210 [0,2,0,0,0,0|2,0,0]=4 895 B12R1.288 CCOc1ccc(c(c1)F)C#N dfaa100664cac194210285e5b099cd26 [0,2,0,0,0,0|1,0,1]=4 896 B12R1.288 CCOc1ccc(c(c1)F)C=O 84906cc1f5a65aef3afc68446f39b7de [0,2,0,0,0,0|0,0,0]=2 897 B12R1.288 CCOc1ccc(c(c1)F)CC 582e827343e6e7e19cb2383c9ee0e209 [0,2,0,0,0,0|1,0,1]=4 898 B12R1.288 CCOc1ccc(c(c1)F)OC 707405be96b592f1043d3c2b907dd1f0 [0,2,0,0,0,0|2,0,0]=4 899 B12R1.288 CCOc1ccc(c(c1)F)SC 96b5caa783b465630eb5b13c4458e66d [0,2,0,0,0,0|2,0,0]=4 900 B12R1.288 CCOc1ccc(c(c1)I)C#N e8b19f58e5497ed45c642d89deb693f4 [0,2,0,0,0,0|1,0,1]=4 901 B12R1.288 CCOc1ccc(c(c1)I)C=O b6ba9b839a779b2f60d5dfa6145a5e72 [0,2,0,0,0,0|0,0,0]=2 902 B12R1.288 CCOc1ccc(c(c1)I)OC 16096f6739c9be9148f00d7d9077f5a3 [0,2,0,0,0,0|2,0,0]=4 903 B12R1.288 CCOc1cnc(c(c1)Cl)C=O 096edc7352f69b5c826080a0812e9382 [0,2,0,0,0,0|1,0,0]=3 904 B12R1.288 CCOc1cnc(c(c1)F)C=O 9dba18d811627b02b06856be88ea113b [0,2,0,0,0,0|1,0,0]=3 905 B12R1.288 CCc1ccc(cc1Br)NC=O 120daac571bc578cf76389a0f3020afe [0,2,0,0,0,0|0,0,0]=2 906 B12R1.288 CCc1ccc(cc1Br)NCF b8bb7e8a75f5a622845ab849fbaed7f3 [0,2,0,0,0,0|1,0,1]=4 907 B12R1.288 CCc1ccc(cc1Br)OCF 0da854d84c5b3e09844d7067c3bfb36b [0,2,0,0,0,0|1,0,1]=4 908 B12R1.288 CCc1ccc(cc1Cl)NC=O 9bd2dd2fe78f88c93db5ff8a6c1082bc [0,2,0,0,0,0|0,0,0]=2 909 B12R1.288 CCc1ccc(cc1Cl)NCF 336ef108558408ba1a30d508edff3a7b [0,2,0,0,0,0|1,0,1]=4 910 B12R1.288 CCc1ccc(cc1Cl)NCO 44c54726533c445b9d151fc3f2aa5ffd [0,2,0,0,0,0|0,0,2]=4 911 B12R1.288 CCc1ccc(cc1Cl)OCF 3562445da8ab2aeced884ab6d2910200 [0,2,0,0,0,0|1,0,1]=4 912 B12R1.288 CCc1ccc(cc1F)NC#N 9570c6cfe480f19c2a678f1b0f092598 [0,2,0,0,0,0|1,0,1]=4 913 B12R1.288 CCc1ccc(cc1F)OCF 6b6984cc921868cc2fd314ef8f38415e [0,2,0,0,0,0|1,0,1]=4 914 B12R1.288 CCc1ncc(cc1Br)NC=O 7dc420710a1738ef42768dbf874b988b [0,2,0,0,0,0|1,0,0]=3 915 B12R1.288 CCn1ccc(cc1=O)NC=O d8dcd6a14f856a4a7ccd9aa9f0f79c54 [0,2,0,0,0,0|1,0,0]=3 916 B12R1.288 COc1ccc(cc1Br)NC=O 44975a2812b7f045b29d074f4a310503 [0,2,0,0,0,0|1,0,0]=3 917 B12R1.288 COc1ccc(cc1C)NC=O e21380362a143a9e55d09498f135355e [0,2,0,0,0,0|1,0,0]=3 918 B12R1.288 COc1ccc(cc1Cl)NC=O 48e4a48fff6474b7c2dd150da194d6cf [0,2,0,0,0,0|1,0,0]=3 919 B12R1.288 COc1ccc(cc1F)NC=O 75643f36973b74889493123ff147791a [0,2,0,0,0,0|1,0,0]=3 920 B12R1.288 COc1ccc(cc1I)NC=O bac8f07a5087910b7c32934a082bc728 [0,2,0,0,0,0|1,0,0]=3 921 B12R1.288 COc1ccc(nc1C)NC=O 87e0a887fc4cf007cead78d9bb063340 [0,2,0,0,0,0|2,0,0]=4 922 B12R1.288 COc1ncc(cc1Cl)NC=O 3b2461b58c2501ee822f9a9c79fdab3d [0,2,0,0,0,0|2,0,0]=4 923 B12R1.288 CSc1ccc(cc1Cl)NC=O 362233f34fbd505ea46d5aeb92327365 [0,2,0,0,0,0|1,0,0]=3 924 B12R1.288 CSc1ccc(cc1F)NC=O 7f0fed20cbf50a5d57f575064b991be6 [0,2,0,0,0,0|1,0,0]=3 925 B12R1.288 Cc1cc(ccc1C#N)NC=O e96e12b4a034ad692b423cd592fbd087 [0,2,0,0,0,0|1,0,1]=4 926 B12R1.288 Cc1cc(ccc1C=O)OCF 51d0f9c153ccc96248191a75c10d9a1a [0,2,0,0,0,0|1,0,0]=3 927 B12R1.288 Cc1cc(ccc1CO)NC=O 1d3587ac4dd6639e4aa2dba145b0bb39 [0,2,0,0,0,0|1,0,0]=3 928 B12R1.288 Cc1cc(ncc1CO)NC=O 4b54878179bda2b419be60c5bfda3ffd [0,2,0,0,0,0|2,0,0]=4 929 B12R1.288 Cc1nc(ccc1C=O)NCF 7a30533163d6c80cd65a1bc7b4f246de [0,2,0,0,0,0|2,0,0]=4 930 B12R1.288 Cc1nc(ccc1C=O)NCO 0f0b4729512f52a304bb1804c8fc7062 [0,2,0,0,0,0|2,0,0]=4 931 B12R1.288 N#Cc1ccc(cc1Cl)NC=O 077899ee37ea2f27894807d262942c53 [0,2,0,0,0,0|1,0,1]=4 932 B12R1.288 N#Cc1ccc(cc1F)NC=O 59b3d69383aa5cf4e5037627cc74e733 [0,2,0,0,0,0|1,0,1]=4 933 B12R1.288 O=CNc1ccc(c(c1)Cl)CO 35aa5051c22d419aa5e112b85950066a [0,2,0,0,0,0|1,0,0]=3 934 B12R1.288 O=CNc1ccc(c(c1)F)C=O d2c0fe4b075d11e5453938fd4438906c [0,2,0,0,0,0|1,0,1]=4 935 B12R1.288 O=CNc1ccc(c(c1)F)CO ceee0e2746d3a8190745d7ce4b8a0de4 [0,2,0,0,0,0|1,0,0]=3 936 B12R1.288 O=CNc1ccc(c(c1)I)CO 2ce866d8227490bc1fa0d781fd13ab7a [0,2,0,0,0,0|1,0,0]=3 937 B12R1.288 O=CNc1ccc(c(c1)O)CO aa05f4da1aa04953b5a4305c413f18c2 [0,2,0,0,0,0|1,0,0]=3 938 B12R1.288 O=Cc1ccc(cc1Br)NCF c948c3387474719215b79914f86a7f25 [0,2,0,0,0,0|1,0,0]=3 939 B12R1.288 O=Cc1ccc(cc1Br)NCO 104719d02cc1055c909c12c983734a27 [0,2,0,0,0,0|1,0,0]=3 940 B12R1.288 O=Cc1ccc(cc1Br)OCF 3d205eb00e05a01d947374e81f763eed [0,2,0,0,0,0|1,0,0]=3 941 B12R1.288 O=Cc1ccc(cc1Cl)NCF 335cb56735f871343bed76b26980ff38 [0,2,0,0,0,0|1,0,0]=3 942 B12R1.288 O=Cc1ccc(cc1Cl)NCO 0c0a187c54caaf006a051f8f9c79f860 [0,2,0,0,0,0|1,0,0]=3 943 B12R1.288 O=Cc1ccc(cc1Cl)OCF 8abc73d2f8637da08ad8210c9830113b [0,2,0,0,0,0|1,0,0]=3 944 B12R1.288 O=Cc1ccc(cc1F)NCF a054c642773b198722ecf11cba4f6512 [0,2,0,0,0,0|1,0,0]=3 945 B12R1.288 O=Cc1ccc(cc1F)NCO 4143d5ef18237b7b28b317cacfdd1ebb [0,2,0,0,0,0|1,0,0]=3 946 B12R1.288 O=Cc1ccc(cc1F)OCF 1bebfdcc48ec6573bf9f43c14a472d1d [0,2,0,0,0,0|1,0,0]=3 947 B12R1.288 O=Cc1ccc(cc1I)OCF 7312be805fb7914b36249cb62fad5288 [0,2,0,0,0,0|1,0,0]=3 948 B12R1.288 O=Cc1ncc(cc1Cl)OCF 1b12f01c879db55d570e48ce93877216 [0,2,0,0,0,0|2,0,0]=4 949 B12R1.288 O=Cc1ncc(cc1F)OCF 9fd69bc9d5fb864ac80e89b03d171ea4 [0,2,0,0,0,0|2,0,0]=4 950 B12R2.143 CCNc1ccc2c(c1)CC2 07ea1705f0da032980e01b039f2c2595 [0,1,0,1,0,0|1,0,1]=4 951 B12R2.143 FCNc1ccc2c(c1)CC2 cc385a92355c2a235eecef387a1b595d [0,1,0,1,0,0|1,0,1]=4 952 B12R2.143 O=CNc1ccc2c(c1)CC2 d443a04a00d8a94524884e4992c5abc5 [0,1,0,1,0,0|0,0,0]=2 953 B12R2.143 OCNc1ccc2c(c1)CC2 ab47e90195a3cdd58ed2c4fc0d1d76ed [0,1,0,1,0,0|0,0,2]=4