0 B12R1.78 C=Cc1cc(c(cn1)C#N)OC 271570a_100011290941_100009830018 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.78 C=Cc1cc(c(cn1)CO)OC 271570a_100011290941_100010714672 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.78 C=Cc1cc(c(nn1)OC)OC 271570a_100011290941_200000095610 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.78 C=Cc1cc(ccc1C#N)C=O 271570a_100011290941_100012355660 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.78 C=Cc1cc(ccc1C=O)C=O 271570a_100011290941_100015597013 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.78 C=Cc1cc(ccc1NC)C=O 271570a_100011290941_200010290468 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.78 C=Cc1cc(ccc1OC)C#N 271570a_100011290941_100000188253 [0,0,0,0,0,0|2,0,2]=4 7 B12R1.78 C=Cc1cc(ccc1OC)C=O 271570a_100011290941_100000173361 [0,0,0,0,0,0|1,0,1]=2 8 B12R1.78 C=Cc1cc(ccc1OC)CC 271570a_100011290941_100010062400 [0,0,0,0,0,0|2,0,2]=4 9 B12R1.78 C=Cc1cc(ccc1OC)CN 271570a_100011290941_100159240714 [0,0,0,0,0,0|2,0,2]=4 10 B12R1.78 C=Cc1cc(ccc1OC)CO 271570a_100011290941_100000246451 [0,0,0,0,0,0|1,0,3]=4 11 B12R1.78 C=Cc1cc(ccc1OC)NC 271570a_100011290941_114948341033 [0,0,0,0,0,0|3,0,1]=4 12 B12R1.78 C=Cc1cc(ccc1OC)OC 271570a_100011290941_100011215452 [0,0,0,0,0,0|3,0,1]=4 13 B12R1.78 C=Cc1cc(cnc1OC)C=O 271570a_100011290941_200010064893 [0,0,0,0,0,0|2,0,1]=3 14 B12R1.78 C=Cc1cc(ncc1OC)C=O 271570a_100011290941_100010893078 [0,0,0,0,0,0|2,0,1]=3 15 B12R1.78 C=Cc1ccc(c(c1)C#N)NC 271570a_100011290941_100013037436 [0,0,0,0,0,0|4,0,0]=4 16 B12R1.78 C=Cc1ccc(c(c1)C#N)OC 271570a_100011290941_100000188252 [0,0,0,0,0,0|3,0,0]=3 17 B12R1.78 C=Cc1ccc(c(c1)C=O)OC 271570a_100011290941_100000170026 [0,0,0,0,0,0|3,0,0]=3 18 B12R1.78 C=Cc1ccc(c(c1)CC)C=O 271570a_100011290941_100010209654 [0,0,0,0,0,0|4,0,0]=4 19 B12R1.78 C=Cc1ccc(c(c1)CC)NN 271570a_100011290941_100000700371 [0,0,0,0,0,0|4,0,0]=4 20 B12R1.78 C=Cc1ccc(c(c1)CC)OC 271570a_100011290941_200010179862 [0,0,0,0,0,0|2,0,0]=2 21 B12R1.78 C=Cc1ccc(c(c1)CN)OC 271570a_100011290941_100000690498 [0,0,0,0,0,0|3,0,0]=3 22 B12R1.78 C=Cc1ccc(c(c1)CO)CC 271570a_100011290941_100010766240 [0,0,0,0,0,0|4,0,0]=4 23 B12R1.78 C=Cc1ccc(c(c1)CO)OC 271570a_100011290941_100000204679 [0,0,0,0,0,0|3,0,0]=3 24 B12R1.78 C=Cc1ccc(c(c1)NC)C#N 271570a_100011290941_200012356631 [0,0,0,0,0,0|4,0,0]=4 25 B12R1.78 C=Cc1ccc(c(c1)OC)C#N 271570a_100011290941_100000694671 [0,0,0,0,0,0|3,0,0]=3 26 B12R1.78 C=Cc1ccc(c(c1)OC)C=O 271570a_100011290941_100000697075 [0,0,0,0,0,0|3,0,0]=3 27 B12R1.78 C=Cc1ccc(c(c1)OC)CC 271570a_100011290941_200010710398 [0,0,0,0,0,0|2,0,0]=2 28 B12R1.78 C=Cc1ccc(c(c1)OC)CO 271570a_100011290941_100011277633 [0,0,0,0,0,0|3,0,0]=3 29 B12R1.78 C=Cc1ccc(c(c1)OC)OC 271570a_100011290941_100000187503 [0,0,0,0,0,0|1,0,0]=1 30 B12R1.78 C=Cc1ccc(c(c1)OC)OC 34a_100011217988_200000210301 [0,0,0,0,0,0|1,0,0]=1 31 B12R1.78 C=Cc1ccc(c(c1)OC)O[13CH3] 34a_100011217988_200025704644 [0,0,0,0,0,0|1,0,0]=1 32 B12R1.78 C=Cc1ccc(c(c1)OC)SC 271570a_100011290941_200011001119 [0,0,0,0,0,0|1,1,0]=2 33 B12R1.78 C=Cc1ccc(c(c1)SC)OC 271570a_100011290941_200009892704 [0,0,0,0,0,0|1,1,0]=2 34 B12R1.78 C=Cc1ccc(c(n1)C#N)OC 271570a_100011290941_100011093937 [0,0,0,0,0,0|4,0,0]=4 35 B12R1.78 C=Cc1ccc(c(n1)OC)C#N 271570a_100011290941_100000708423 [0,0,0,0,0,0|4,0,0]=4 36 B12R1.78 C=Cc1ccc(c(n1)OC)C=O 271570a_100011290941_100009864722 [0,0,0,0,0,0|4,0,0]=4 37 B12R1.78 C=Cc1ccc(c(n1)OC)CN 271570a_100011290941_100015687481 [0,0,0,0,0,0|4,0,0]=4 38 B12R1.78 C=Cc1ccc(c(n1)OC)CO 271570a_100011290941_100010988397 [0,0,0,0,0,0|4,0,0]=4 39 B12R1.78 C=Cc1ccc(c(n1)OC)OC 271570a_100011290941_100010214848 [0,0,0,0,0,0|2,0,0]=2 40 B12R1.78 C=Cc1ccc(cc1C#N)C=O 271570a_100011290941_100010128726 [0,0,0,0,0,0|3,0,1]=4 41 B12R1.78 C=Cc1ccc(cc1CO)C=O 271570a_100011290941_100015639582 [0,0,0,0,0,0|3,0,1]=4 42 B12R1.78 C=Cc1ccc(cc1OC)C#N 271570a_100011290941_100012356288 [0,0,0,0,0,0|2,0,2]=4 43 B12R1.78 C=Cc1ccc(cc1OC)C=O 271570a_100011290941_100010244714 [0,0,0,0,0,0|1,0,1]=2 44 B12R1.78 C=Cc1ccc(cc1OC)CC 271570a_100011290941_200010710389 [0,0,0,0,0,0|2,0,2]=4 45 B12R1.78 C=Cc1ccc(cc1OC)CO 271570a_100011290941_100010234685 [0,0,0,0,0,0|1,0,3]=4 46 B12R1.78 C=Cc1ccc(cc1OC)OC 271570a_100011290941_100000750026 [0,0,0,0,0,0|3,0,1]=4 47 B12R1.78 C=Cc1cnc(c(c1)C#N)OC 271570a_100011290941_100011935052 [0,0,0,0,0,0|4,0,0]=4 48 B12R1.78 C=Cc1cnc(c(c1)C=O)OC 271570a_100011290941_100009814609 [0,0,0,0,0,0|4,0,0]=4 49 B12R1.78 C=Cc1cnc(c(c1)CO)OC 271570a_100011290941_100000695684 [0,0,0,0,0,0|4,0,0]=4 50 B12R1.78 C=Cc1cnc(c(c1)OC)C#N 271570a_100011290941_100000719880 [0,0,0,0,0,0|4,0,0]=4 51 B12R1.78 C=Cc1cnc(c(c1)OC)C=O 271570a_100011290941_100010246152 [0,0,0,0,0,0|4,0,0]=4 52 B12R1.78 C=Cc1cnc(c(c1)OC)CO 271570a_100011290941_200010246159 [0,0,0,0,0,0|4,0,0]=4 53 B12R1.78 C=Cc1cnc(c(c1)OC)OC 271570a_100011290941_100010234541 [0,0,0,0,0,0|2,0,0]=2 54 B12R1.78 C=Cc1cnc(c(n1)OC)OC 271570a_100011290941_100010132954 [0,0,0,0,0,0|3,0,0]=3 55 B12R1.78 C=Cc1nc(ccc1OC)C=O 271570a_100011290941_100010174741 [0,0,0,0,0,0|2,0,1]=3 56 B12R1.78 C=Cc1ncc(c(n1)OC)OC 271570a_100011290941_100010280452 [0,0,0,0,0,0|3,0,0]=3 57 B12R1.78 CCc1cc(ccc1NC)C#N 27a_100102657272_100010115944 [0,0,0,0,0,0|3,0,1]=4 58 B12R1.78 CCc1cc(ccc1NC)C#N 34a_100011219738_200000210301 [0,0,0,0,0,0|3,0,1]=4 59 B12R1.78 CCc1cc(ccc1NC)C#N 7a_100011219738_200000210301 [0,0,0,0,0,0|3,0,1]=4 60 B12R1.78 CCc1cc(ccc1N[13CH3])C#N 34a_100011219738_200025704644 [0,0,0,0,0,0|3,0,1]=4 61 B12R1.78 CCc1cc(ccc1N[13CH3])C#N 7a_100011219738_200025704644 [0,0,0,0,0,0|3,0,1]=4 62 B12R1.78 CCc1cc(ccc1OC)SC 62a_200000210301_200010179862 [0,0,0,0,0,0|3,0,0]=3 63 B12R1.78 CCc1cc(ccc1OC)SC 62a_200010179862_200000210301 [0,0,0,0,0,0|3,0,0]=3 64 B12R1.78 CCc1cc(ccc1OC)S[13CH3] 62a_200010179862_200025704644 [0,0,0,0,0,0|3,0,0]=3 65 B12R1.78 CCc1cc(ccc1OC)S[13CH3] 62a_200025704644_200010179862 [0,0,0,0,0,0|3,0,0]=3 66 B12R1.78 CCc1cc(ccc1SC)C#N 62a_200000210301_100010115944 [0,0,0,0,0,0|2,1,1]=4 67 B12R1.78 CCc1cc(ccc1SC)OC 62a_100000720562_200000210301 [0,0,0,0,0,0|3,1,0]=4 68 B12R1.78 CCc1cc(ccc1SC)OC 62a_200000210301_100000720562 [0,0,0,0,0,0|3,1,0]=4 69 B12R1.78 CCc1cc(ccc1S[13CH3])C#N 62a_200025704644_100010115944 [0,0,0,0,0,0|2,1,1]=4 70 B12R1.78 CCc1cc(ccc1S[13CH3])OC 62a_100000720562_200025704644 [0,0,0,0,0,0|3,1,0]=4 71 B12R1.78 CCc1cc(ccc1S[13CH3])OC 62a_200025704644_100000720562 [0,0,0,0,0,0|3,1,0]=4 72 B12R1.78 CCc1ccc(c(c1)NC)OC 2230a_100012035449_200000210301 [0,0,0,0,0,0|2,0,1]=3 73 B12R1.78 CCc1ccc(c(c1)NC)OC 34a_100012035449_200000210301 [0,0,0,0,0,0|2,0,1]=3 74 B12R1.78 CCc1ccc(c(c1)N[13CH3])OC 2230a_100012035449_200025704644 [0,0,0,0,0,0|2,0,1]=3 75 B12R1.78 CCc1ccc(c(c1)N[13CH3])OC 34a_100012035449_200025704644 [0,0,0,0,0,0|2,0,1]=3 76 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100000186467_200000210301 [0,0,0,0,0,0|1,0,1]=2 77 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100009844796_200000210301 [0,0,0,0,0,0|1,0,1]=2 78 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100000186467_200000210301 [0,0,0,0,0,0|1,0,1]=2 79 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100009844796_200000210301 [0,0,0,0,0,0|1,0,1]=2 80 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 34a_100000186467_200025704644 [0,0,0,0,0,0|1,0,1]=2 81 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 7a_100000186467_200025704644 [0,0,0,0,0,0|1,0,1]=2 82 B12R1.78 CCc1ccc(c(c1)OC)SC 62a_200000210301_200010710389 [0,0,0,0,0,0|1,1,1]=3 83 B12R1.78 CCc1ccc(c(c1)OC)SC 62a_200010710389_200000210301 [0,0,0,0,0,0|1,1,1]=3 84 B12R1.78 CCc1ccc(c(c1)OC)S[13CH3] 62a_200010710389_200025704644 [0,0,0,0,0,0|1,1,1]=3 85 B12R1.78 CCc1ccc(c(c1)OC)S[13CH3] 62a_200025704644_200010710389 [0,0,0,0,0,0|1,1,1]=3 86 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 34a_100009844796_200025704644 [0,0,0,0,0,0|1,0,1]=2 87 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 7a_100009844796_200025704644 [0,0,0,0,0,0|1,0,1]=2 88 B12R1.78 CCc1ccc(c(c1)SC)OC 62a_100010062400_200000210301 [0,0,0,0,0,0|1,1,1]=3 89 B12R1.78 CCc1ccc(c(c1)SC)OC 62a_200000210301_100010062400 [0,0,0,0,0,0|1,1,1]=3 90 B12R1.78 CCc1ccc(c(c1)S[13CH3])OC 62a_100010062400_200025704644 [0,0,0,0,0,0|1,1,1]=3 91 B12R1.78 CCc1ccc(c(c1)S[13CH3])OC 62a_200025704644_100010062400 [0,0,0,0,0,0|1,1,1]=3 92 B12R1.78 CCc1ccc(cc1OC)SC 62a_200000210301_200010710398 [0,0,0,0,0,0|3,0,0]=3 93 B12R1.78 CCc1ccc(cc1OC)SC 62a_200010710398_200000210301 [0,0,0,0,0,0|3,0,0]=3 94 B12R1.78 CCc1ccc(cc1OC)S[13CH3] 62a_200010710398_200025704644 [0,0,0,0,0,0|3,0,0]=3 95 B12R1.78 CCc1ccc(cc1OC)S[13CH3] 62a_200025704644_200010710398 [0,0,0,0,0,0|3,0,0]=3 96 B12R1.78 CNc1cc(ccc1OC)C#N 34a_100000747721_200000210301 [0,0,0,0,0,0|2,0,1]=3 97 B12R1.78 CNc1cc(ccc1OC)C#N 7a_100000747721_200000210301 [0,0,0,0,0,0|2,0,1]=3 98 B12R1.78 CNc1cc(ccc1OC)CO 2230a_100011269841_200000210301 [0,0,0,0,0,0|1,0,2]=3 99 B12R1.78 CNc1cc(ccc1OC)CO 34a_100011269841_200000210301 [0,0,0,0,0,0|1,0,2]=3 100 B12R1.78 CNc1cc(ccc1OC)OC 2230a_100000184736_200000210301 [0,0,0,0,0,0|3,0,0]=3 101 B12R1.78 CNc1cc(ccc1OC)OC 34a_100000184736_200000210301 [0,0,0,0,0,0|3,0,0]=3 102 B12R1.78 CNc1ccc(c(c1)C#N)OC 34a_100011204338_200000210301 [0,0,0,0,0,0|4,0,0]=4 103 B12R1.78 CNc1ccc(c(c1)C#N)OC 7a_100011204338_200000210301 [0,0,0,0,0,0|4,0,0]=4 104 B12R1.78 CNc1ccc(c(c1)OC)C#N 34a_100011999456_200000210301 [0,0,0,0,0,0|4,0,0]=4 105 B12R1.78 CNc1ccc(c(c1)OC)CO 34a_100012183141_200000210301 [0,0,0,0,0,0|4,0,0]=4 106 B12R1.78 CNc1ccc(c(c1)OC)OC 34a_100000187404_200000210301 [0,0,0,0,0,0|2,0,0]=2 107 B12R1.78 CNc1ccc(c(c1)SC)OC 62a_114948341033_200000210301 [0,0,0,0,0,0|2,1,0]=3 108 B12R1.78 CNc1ccc(c(c1)SC)OC 62a_200000210301_114948341033 [0,0,0,0,0,0|2,1,0]=3 109 B12R1.78 CNc1ccc(c(c1)S[13CH3])OC 62a_114948341033_200025704644 [0,0,0,0,0,0|2,1,0]=3 110 B12R1.78 CNc1ccc(c(c1)S[13CH3])OC 62a_200025704644_114948341033 [0,0,0,0,0,0|2,1,0]=3 111 B12R1.78 CNc1ccc(cc1OC)C#N 34a_100000701993_200000210301 [0,0,0,0,0,0|2,0,1]=3 112 B12R1.78 CNc1ccc(cc1OC)CO 2230a_100000087641_200000210301 [0,0,0,0,0,0|1,0,2]=3 113 B12R1.78 CNc1ccc(cc1OC)CO 34a_100000087641_200000210301 [0,0,0,0,0,0|1,0,2]=3 114 B12R1.78 CNc1ccc(cc1OC)OC 2230a_100000211191_200000210301 [0,0,0,0,0,0|3,0,0]=3 115 B12R1.78 CNc1ccc(cc1OC)OC 34a_100000211191_200000210301 [0,0,0,0,0,0|3,0,0]=3 116 B12R1.78 CNc1ccc(cc1OC)SC 2230a_100000766855_200000210301 [0,0,0,0,0,0|3,0,0]=3 117 B12R1.78 CNc1ccc(cc1OC)SC 34a_100000766855_200000210301 [0,0,0,0,0,0|3,0,0]=3 118 B12R1.78 CNc1ccc(cc1SC)C#N 62a_200000210301_200020994358 [0,0,0,0,0,0|2,1,1]=4 119 B12R1.78 CNc1ccc(cc1SC)C=O 62a_200000210301_200010290468 [0,0,0,0,0,0|1,1,0]=2 120 B12R1.78 CNc1ccc(cc1SC)C=O 62a_200010290468_200000210301 [0,0,0,0,0,0|1,1,0]=2 121 B12R1.78 CNc1ccc(cc1S[13CH3])C#N 62a_200025704644_200020994358 [0,0,0,0,0,0|2,1,1]=4 122 B12R1.78 CNc1ccc(cc1S[13CH3])C=O 62a_200010290468_200025704644 [0,0,0,0,0,0|1,1,0]=2 123 B12R1.78 CNc1ccc(cc1S[13CH3])C=O 62a_200025704644_200010290468 [0,0,0,0,0,0|1,1,0]=2 124 B12R1.78 CNc1ncc(cc1OC)C#N 27a_100102657272_200009864118 [0,0,0,0,0,0|3,0,1]=4 125 B12R1.78 COc1cc(c(cn1)SC)OC 62a_100010191559_200000210301 [0,0,0,0,0,0|3,1,0]=4 126 B12R1.78 COc1cc(c(cn1)SC)OC 62a_200000210301_100010191559 [0,0,0,0,0,0|3,1,0]=4 127 B12R1.78 COc1cc(c(cn1)S[13CH3])OC 62a_100010191559_200025704644 [0,0,0,0,0,0|3,1,0]=4 128 B12R1.78 COc1cc(c(cn1)S[13CH3])OC 62a_200025704644_100010191559 [0,0,0,0,0,0|3,1,0]=4 129 B12R1.78 COc1cc(c(nn1)OC)OC 34a_200010760773_200000210301 [0,0,0,0,0,0|4,0,0]=4 130 B12R1.78 COc1cc(c(nn1)OC)O[13CH3] 34a_200010760773_200025704644 [0,0,0,0,0,0|4,0,0]=4 131 B12R1.78 COc1cc(ccc1C#N)N[13CH3] 34a_100011999456_200025704644 [0,0,0,0,0,0|4,0,0]=4 132 B12R1.78 COc1cc(ccc1C#N)SC 62a_200000210301_100000694671 [0,0,0,0,0,0|4,0,0]=4 133 B12R1.78 COc1cc(ccc1C#N)S[13CH3] 62a_200025704644_100000694671 [0,0,0,0,0,0|4,0,0]=4 134 B12R1.78 COc1cc(ccc1C=O)SC 62a_100000697075_200000210301 [0,0,0,0,0,0|4,0,0]=4 135 B12R1.78 COc1cc(ccc1C=O)SC 62a_200000210301_100010290300 [0,0,0,0,0,0|4,0,0]=4 136 B12R1.78 COc1cc(ccc1C=O)S[13CH3] 62a_100000697075_200025704644 [0,0,0,0,0,0|4,0,0]=4 137 B12R1.78 COc1cc(ccc1C=O)S[13CH3] 62a_200025704644_100010290300 [0,0,0,0,0,0|4,0,0]=4 138 B12R1.78 COc1cc(ccc1CO)CO 34a_200010669990_200000210301 [0,0,0,0,0,0|2,0,2]=4 139 B12R1.78 COc1cc(ccc1CO)N[13CH3] 34a_100012183141_200025704644 [0,0,0,0,0,0|4,0,0]=4 140 B12R1.78 COc1cc(ccc1CO)O[13CH3] 34a_200000116926_200025704644 [0,0,0,0,0,0|4,0,0]=4 141 B12R1.78 COc1cc(ccc1CO)SC 62a_100011277633_200000210301 [0,0,0,0,0,0|4,0,0]=4 142 B12R1.78 COc1cc(ccc1CO)SC 62a_200000210301_100011277633 [0,0,0,0,0,0|4,0,0]=4 143 B12R1.78 COc1cc(ccc1CO)S[13CH3] 62a_100011277633_200025704644 [0,0,0,0,0,0|4,0,0]=4 144 B12R1.78 COc1cc(ccc1CO)S[13CH3] 62a_200025704644_100011277633 [0,0,0,0,0,0|4,0,0]=4 145 B12R1.78 COc1cc(ccc1N[13CH3])C#N 34a_100000701993_200025704644 [0,0,0,0,0,0|2,0,1]=3 146 B12R1.78 COc1cc(ccc1N[13CH3])CO 2230a_100000087641_200025704644 [0,0,0,0,0,0|1,0,2]=3 147 B12R1.78 COc1cc(ccc1N[13CH3])CO 34a_100000087641_200025704644 [0,0,0,0,0,0|1,0,2]=3 148 B12R1.78 COc1cc(ccc1N[13CH3])SC 2230a_100000766855_200025704644 [0,0,0,0,0,0|3,0,0]=3 149 B12R1.78 COc1cc(ccc1N[13CH3])SC 34a_100000766855_200025704644 [0,0,0,0,0,0|3,0,0]=3 150 B12R1.78 COc1cc(ccc1O[13CH3])C#N 34a_100000184589_200025704644 [0,0,0,0,0,0|1,0,1]=2 151 B12R1.78 COc1cc(ccc1O[13CH3])C#N 7a_100000184589_200025704644 [0,0,0,0,0,0|1,0,1]=2 152 B12R1.78 COc1cc(ccc1O[13CH3])CN 34a_100000185554_200025704644 [0,0,0,0,0,0|1,0,1]=2 153 B12R1.78 COc1cc(ccc1SC)C#N 62a_200000210301_100012356288 [0,0,0,0,0,0|1,1,1]=3 154 B12R1.78 COc1cc(ccc1SC)C=O 62a_100010244714_200000210301 [0,0,0,0,0,0|0,1,0]=1 155 B12R1.78 COc1cc(ccc1SC)C=O 62a_200000210301_100010244714 [0,0,0,0,0,0|0,1,0]=1 156 B12R1.78 COc1cc(ccc1SC)CO 62a_100010234685_200000210301 [0,0,0,0,0,0|0,1,2]=3 157 B12R1.78 COc1cc(ccc1SC)CO 62a_200000210301_100010234685 [0,0,0,0,0,0|0,1,2]=3 158 B12R1.78 COc1cc(ccc1SC)SC 62a_200011001119_200000210301 [0,0,0,0,0,0|2,1,0]=3 159 B12R1.78 COc1cc(ccc1SC)S[13CH3] 62a_200011001119_200025704644 [0,0,0,0,0,0|2,1,0]=3 160 B12R1.78 COc1cc(ccc1S[13CH3])C#N 62a_200025704644_100012356288 [0,0,0,0,0,0|1,1,1]=3 161 B12R1.78 COc1cc(ccc1S[13CH3])C=O 62a_100010244714_200025704644 [0,0,0,0,0,0|0,1,0]=1 162 B12R1.78 COc1cc(ccc1S[13CH3])C=O 62a_200025704644_100010244714 [0,0,0,0,0,0|0,1,0]=1 163 B12R1.78 COc1cc(ccc1S[13CH3])CO 62a_100010234685_200025704644 [0,0,0,0,0,0|0,1,2]=3 164 B12R1.78 COc1cc(ccc1S[13CH3])CO 62a_200025704644_100010234685 [0,0,0,0,0,0|0,1,2]=3 165 B12R1.78 COc1cc(cnc1OC)SC 62a_200000210301_100010234541 [0,0,0,0,0,0|3,0,0]=3 166 B12R1.78 COc1cc(cnc1OC)S[13CH3] 62a_200025704644_100010234541 [0,0,0,0,0,0|3,0,0]=3 167 B12R1.78 COc1cc(cnc1SC)C#N 62a_200000210301_200009864118 [0,0,0,0,0,0|2,1,1]=4 168 B12R1.78 COc1cc(cnc1S[13CH3])C#N 62a_200025704644_200009864118 [0,0,0,0,0,0|2,1,1]=4 169 B12R1.78 COc1cc(ncc1SC)C#N 62a_200000210301_100010136804 [0,0,0,0,0,0|2,1,1]=4 170 B12R1.78 COc1cc(ncc1SC)CO 62a_100010999569_200000210301 [0,0,0,0,0,0|1,1,2]=4 171 B12R1.78 COc1cc(ncc1SC)CO 62a_200000210301_100010999569 [0,0,0,0,0,0|1,1,2]=4 172 B12R1.78 COc1cc(ncc1S[13CH3])C#N 62a_200025704644_100010136804 [0,0,0,0,0,0|2,1,1]=4 173 B12R1.78 COc1cc(ncc1S[13CH3])CO 62a_100010999569_200025704644 [0,0,0,0,0,0|1,1,2]=4 174 B12R1.78 COc1cc(ncc1S[13CH3])CO 62a_200025704644_100010999569 [0,0,0,0,0,0|1,1,2]=4 175 B12R1.78 COc1cc(nnc1OC)SC 62a_200000210301_200000095610 [0,0,0,0,0,0|4,0,0]=4 176 B12R1.78 COc1cc(nnc1OC)S[13CH3] 62a_200025704644_200000095610 [0,0,0,0,0,0|4,0,0]=4 177 B12R1.78 COc1ccc(c(c1)C#N)OC 34a_200011934229_200000210301 [0,0,0,0,0,0|4,0,0]=4 178 B12R1.78 COc1ccc(c(c1)C#N)OC 7a_200011934229_200000210301 [0,0,0,0,0,0|4,0,0]=4 179 B12R1.78 COc1ccc(c(c1)C#N)O[13CH3] 34a_200011934229_200025704644 [0,0,0,0,0,0|4,0,0]=4 180 B12R1.78 COc1ccc(c(c1)C#N)O[13CH3] 7a_200011934229_200025704644 [0,0,0,0,0,0|4,0,0]=4 181 B12R1.78 COc1ccc(c(c1)N[13CH3])OC 2230a_100000184736_200025704644 [0,0,0,0,0,0|3,0,0]=3 182 B12R1.78 COc1ccc(c(c1)N[13CH3])OC 34a_100000184736_200025704644 [0,0,0,0,0,0|3,0,0]=3 183 B12R1.78 COc1ccc(c(c1)OC)C#N 34a_100011999188_200000210301 [0,0,0,0,0,0|4,0,0]=4 184 B12R1.78 COc1ccc(c(c1)OC)C#N 7a_100011999188_200000210301 [0,0,0,0,0,0|4,0,0]=4 185 B12R1.78 COc1ccc(c(c1)OC)CO 34a_200000116926_200000210301 [0,0,0,0,0,0|4,0,0]=4 186 B12R1.78 COc1ccc(c(c1)OC)N=O 34a_200010658452_200000210301 [0,0,0,0,0,0|4,0,0]=4 187 B12R1.78 COc1ccc(c(c1)OC)N=O 7a_200010658452_200000210301 [0,0,0,0,0,0|4,0,0]=4 188 B12R1.78 COc1ccc(c(c1)OC)N[13CH3] 2230a_100000211191_200025704644 [0,0,0,0,0,0|3,0,0]=3 189 B12R1.78 COc1ccc(c(c1)OC)N[13CH3] 34a_100000211191_200025704644 [0,0,0,0,0,0|3,0,0]=3 190 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000039706_200000210301 [0,0,0,0,0,0|2,0,0]=2 191 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000074795_200000210301 [0,0,0,0,0,0|2,0,0]=2 192 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100009840267_200000210301 [0,0,0,0,0,0|2,0,0]=2 193 B12R1.78 COc1ccc(c(c1)OC)O[13CH3] 34a_100009840267_200025704644 [0,0,0,0,0,0|2,0,0]=2 194 B12R1.78 COc1ccc(c(c1)OC)SC 62a_100000750026_200000210301 [0,0,0,0,0,0|2,1,0]=3 195 B12R1.78 COc1ccc(c(c1)OC)SC 62a_200000210301_100000750026 [0,0,0,0,0,0|2,1,0]=3 196 B12R1.78 COc1ccc(c(c1)OC)S[13CH3] 62a_100000750026_200025704644 [0,0,0,0,0,0|2,1,0]=3 197 B12R1.78 COc1ccc(c(c1)OC)S[13CH3] 62a_200025704644_100000750026 [0,0,0,0,0,0|2,1,0]=3 198 B12R1.78 COc1ccc(c(c1)O[13CH3])C#N 34a_100011999188_200025704644 [0,0,0,0,0,0|4,0,0]=4 199 B12R1.78 COc1ccc(c(c1)O[13CH3])C#N 7a_100011999188_200025704644 [0,0,0,0,0,0|4,0,0]=4 200 B12R1.78 COc1ccc(c(c1)O[13CH3])N=O 34a_200010658452_200025704644 [0,0,0,0,0,0|4,0,0]=4 201 B12R1.78 COc1ccc(c(c1)O[13CH3])N=O 7a_200010658452_200025704644 [0,0,0,0,0,0|4,0,0]=4 202 B12R1.78 COc1ccc(c(c1)O[13CH3])OC 34a_100000074795_200025704644 [0,0,0,0,0,0|2,0,0]=2 203 B12R1.78 COc1ccc(c(c1)SC)OC 62a_100011215452_200000210301 [0,0,0,0,0,0|2,1,0]=3 204 B12R1.78 COc1ccc(c(c1)SC)OC 62a_200000210301_100011215452 [0,0,0,0,0,0|2,1,0]=3 205 B12R1.78 COc1ccc(c(c1)S[13CH3])OC 62a_100011215452_200025704644 [0,0,0,0,0,0|2,1,0]=3 206 B12R1.78 COc1ccc(c(c1)S[13CH3])OC 62a_200025704644_100011215452 [0,0,0,0,0,0|2,1,0]=3 207 B12R1.78 COc1ccc(c(n1)OC)OC 34a_100000085135_200000210301 [0,0,0,0,0,0|3,0,0]=3 208 B12R1.78 COc1ccc(c(n1)OC)O[13CH3] 34a_100000085135_200025704644 [0,0,0,0,0,0|3,0,0]=3 209 B12R1.78 COc1ccc(c(n1)OC)SC 62a_100009816055_200000210301 [0,0,0,0,0,0|3,1,0]=4 210 B12R1.78 COc1ccc(c(n1)OC)SC 62a_200000210301_100009816055 [0,0,0,0,0,0|3,1,0]=4 211 B12R1.78 COc1ccc(c(n1)OC)S[13CH3] 62a_100009816055_200025704644 [0,0,0,0,0,0|3,1,0]=4 212 B12R1.78 COc1ccc(c(n1)OC)S[13CH3] 62a_200025704644_100009816055 [0,0,0,0,0,0|3,1,0]=4 213 B12R1.78 COc1ccc(cc1C#N)C#N 34a_200012183189_200000210301 [0,0,0,0,0,0|3,0,1]=4 214 B12R1.78 COc1ccc(cc1C#N)C#N 7a_200012183189_200000210301 [0,0,0,0,0,0|3,0,1]=4 215 B12R1.78 COc1ccc(cc1C#N)N[13CH3] 34a_100011204338_200025704644 [0,0,0,0,0,0|4,0,0]=4 216 B12R1.78 COc1ccc(cc1C#N)N[13CH3] 7a_100011204338_200025704644 [0,0,0,0,0,0|4,0,0]=4 217 B12R1.78 COc1ccc(cc1C#N)SC 62a_200000210301_100000188252 [0,0,0,0,0,0|4,0,0]=4 218 B12R1.78 COc1ccc(cc1C#N)S[13CH3] 62a_200025704644_100000188252 [0,0,0,0,0,0|4,0,0]=4 219 B12R1.78 COc1ccc(cc1C=O)SC 62a_100000170026_200000210301 [0,0,0,0,0,0|4,0,0]=4 220 B12R1.78 COc1ccc(cc1C=O)SC 62a_200000210301_100000170026 [0,0,0,0,0,0|4,0,0]=4 221 B12R1.78 COc1ccc(cc1C=O)S[13CH3] 62a_100000170026_200025704644 [0,0,0,0,0,0|4,0,0]=4 222 B12R1.78 COc1ccc(cc1C=O)S[13CH3] 62a_200025704644_100000170026 [0,0,0,0,0,0|4,0,0]=4 223 B12R1.78 COc1ccc(cc1CN)SC 62a_100000690498_200000210301 [0,0,0,0,0,0|4,0,0]=4 224 B12R1.78 COc1ccc(cc1CN)SC 62a_200000210301_100000690498 [0,0,0,0,0,0|4,0,0]=4 225 B12R1.78 COc1ccc(cc1CN)S[13CH3] 62a_100000690498_200025704644 [0,0,0,0,0,0|4,0,0]=4 226 B12R1.78 COc1ccc(cc1CN)S[13CH3] 62a_200025704644_100000690498 [0,0,0,0,0,0|4,0,0]=4 227 B12R1.78 COc1ccc(cc1CO)SC 62a_100000204679_200000210301 [0,0,0,0,0,0|4,0,0]=4 228 B12R1.78 COc1ccc(cc1CO)SC 62a_200000210301_100000204679 [0,0,0,0,0,0|4,0,0]=4 229 B12R1.78 COc1ccc(cc1CO)S[13CH3] 62a_100000204679_200025704644 [0,0,0,0,0,0|4,0,0]=4 230 B12R1.78 COc1ccc(cc1CO)S[13CH3] 62a_200025704644_100000204679 [0,0,0,0,0,0|4,0,0]=4 231 B12R1.78 COc1ccc(cc1N[13CH3])C#N 34a_100000747721_200025704644 [0,0,0,0,0,0|2,0,1]=3 232 B12R1.78 COc1ccc(cc1N[13CH3])C#N 7a_100000747721_200025704644 [0,0,0,0,0,0|2,0,1]=3 233 B12R1.78 COc1ccc(cc1N[13CH3])CO 2230a_100011269841_200025704644 [0,0,0,0,0,0|1,0,2]=3 234 B12R1.78 COc1ccc(cc1N[13CH3])CO 34a_100011269841_200025704644 [0,0,0,0,0,0|1,0,2]=3 235 B12R1.78 COc1ccc(cc1OC)C#N 34a_100000184589_200000210301 [0,0,0,0,0,0|1,0,1]=2 236 B12R1.78 COc1ccc(cc1OC)C#N 34a_100000188611_200000210301 [0,0,0,0,0,0|1,0,1]=2 237 B12R1.78 COc1ccc(cc1OC)C#N 7a_100000184589_200000210301 [0,0,0,0,0,0|1,0,1]=2 238 B12R1.78 COc1ccc(cc1OC)C#N 7a_100000188611_200000210301 [0,0,0,0,0,0|1,0,1]=2 239 B12R1.78 COc1ccc(cc1OC)CN 34a_100000185554_200000210301 [0,0,0,0,0,0|1,0,1]=2 240 B12R1.78 COc1ccc(cc1OC)CN 34a_100000740000_200000210301 [0,0,0,0,0,0|1,0,1]=2 241 B12R1.78 COc1ccc(cc1OC)CO 34a_100011215239_200000210301 [0,0,0,0,0,0|0,0,2]=2 242 B12R1.78 COc1ccc(cc1OC)N[13CH3] 34a_100000187404_200025704644 [0,0,0,0,0,0|2,0,0]=2 243 B12R1.78 COc1ccc(cc1OC)O[13CH3] 34a_100000039706_200025704644 [0,0,0,0,0,0|2,0,0]=2 244 B12R1.78 COc1ccc(cc1OC)SC 62a_200000210301_100011356967 [0,0,0,0,0,0|2,0,0]=2 245 B12R1.78 COc1ccc(cc1OC)S[13CH3] 62a_200025704644_100011356967 [0,0,0,0,0,0|2,0,0]=2 246 B12R1.78 COc1ccc(cc1O[13CH3])C#N 34a_100000188611_200025704644 [0,0,0,0,0,0|1,0,1]=2 247 B12R1.78 COc1ccc(cc1O[13CH3])C#N 7a_100000188611_200025704644 [0,0,0,0,0,0|1,0,1]=2 248 B12R1.78 COc1ccc(cc1O[13CH3])CN 34a_100000740000_200025704644 [0,0,0,0,0,0|1,0,1]=2 249 B12R1.78 COc1ccc(cc1O[13CH3])CO 34a_100011215239_200025704644 [0,0,0,0,0,0|0,0,2]=2 250 B12R1.78 COc1ccc(cc1SC)C#N 62a_200000210301_100000188253 [0,0,0,0,0,0|1,1,1]=3 251 B12R1.78 COc1ccc(cc1SC)C=O 62a_100000173361_200000210301 [0,0,0,0,0,0|0,1,0]=1 252 B12R1.78 COc1ccc(cc1SC)C=O 62a_200000210301_100000173361 [0,0,0,0,0,0|0,1,0]=1 253 B12R1.78 COc1ccc(cc1SC)CN 62a_100159240714_200000210301 [0,0,0,0,0,0|1,1,1]=3 254 B12R1.78 COc1ccc(cc1SC)CN 62a_200000210301_100159240714 [0,0,0,0,0,0|1,1,1]=3 255 B12R1.78 COc1ccc(cc1SC)CO 62a_100000246451_200000210301 [0,0,0,0,0,0|0,1,2]=3 256 B12R1.78 COc1ccc(cc1SC)CO 62a_200000210301_100000246451 [0,0,0,0,0,0|0,1,2]=3 257 B12R1.78 COc1ccc(cc1SC)SC 62a_200009892704_200000210301 [0,0,0,0,0,0|2,1,0]=3 258 B12R1.78 COc1ccc(cc1SC)S[13CH3] 62a_200009892704_200025704644 [0,0,0,0,0,0|2,1,0]=3 259 B12R1.78 COc1ccc(cc1S[13CH3])C#N 62a_200025704644_100000188253 [0,0,0,0,0,0|1,1,1]=3 260 B12R1.78 COc1ccc(cc1S[13CH3])C=O 62a_100000173361_200025704644 [0,0,0,0,0,0|0,1,0]=1 261 B12R1.78 COc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000173361 [0,0,0,0,0,0|0,1,0]=1 262 B12R1.78 COc1ccc(cc1S[13CH3])CN 62a_100159240714_200025704644 [0,0,0,0,0,0|1,1,1]=3 263 B12R1.78 COc1ccc(cc1S[13CH3])CN 62a_200025704644_100159240714 [0,0,0,0,0,0|1,1,1]=3 264 B12R1.78 COc1ccc(cc1S[13CH3])CO 62a_100000246451_200025704644 [0,0,0,0,0,0|0,1,2]=3 265 B12R1.78 COc1ccc(cc1S[13CH3])CO 62a_200025704644_100000246451 [0,0,0,0,0,0|0,1,2]=3 266 B12R1.78 COc1ccc(nc1OC)SC 62a_200000210301_100010214848 [0,0,0,0,0,0|3,0,0]=3 267 B12R1.78 COc1ccc(nc1OC)S[13CH3] 62a_200025704644_100010214848 [0,0,0,0,0,0|3,0,0]=3 268 B12R1.78 COc1ccc(nc1SC)C=O 62a_100010174741_200000210301 [0,0,0,0,0,0|1,1,0]=2 269 B12R1.78 COc1ccc(nc1SC)C=O 62a_200000210301_100010174741 [0,0,0,0,0,0|1,1,0]=2 270 B12R1.78 COc1ccc(nc1SC)CO 62a_100009842956_200000210301 [0,0,0,0,0,0|1,1,2]=4 271 B12R1.78 COc1ccc(nc1SC)CO 62a_200000210301_100009842956 [0,0,0,0,0,0|1,1,2]=4 272 B12R1.78 COc1ccc(nc1S[13CH3])C=O 62a_100010174741_200025704644 [0,0,0,0,0,0|1,1,0]=2 273 B12R1.78 COc1ccc(nc1S[13CH3])C=O 62a_200025704644_100010174741 [0,0,0,0,0,0|1,1,0]=2 274 B12R1.78 COc1ccc(nc1S[13CH3])CO 62a_100009842956_200025704644 [0,0,0,0,0,0|1,1,2]=4 275 B12R1.78 COc1ccc(nc1S[13CH3])CO 62a_200025704644_100009842956 [0,0,0,0,0,0|1,1,2]=4 276 B12R1.78 COc1cnc(cc1SC)C=O 62a_100010893078_200000210301 [0,0,0,0,0,0|1,1,0]=2 277 B12R1.78 COc1cnc(cc1SC)C=O 62a_200000210301_100010893078 [0,0,0,0,0,0|1,1,0]=2 278 B12R1.78 COc1cnc(cc1S[13CH3])C=O 62a_100010893078_200025704644 [0,0,0,0,0,0|1,1,0]=2 279 B12R1.78 COc1cnc(cc1S[13CH3])C=O 62a_200025704644_100010893078 [0,0,0,0,0,0|1,1,0]=2 280 B12R1.78 COc1cnc(nc1OC)SC 62a_200000210301_100010280452 [0,0,0,0,0,0|4,0,0]=4 281 B12R1.78 COc1cnc(nc1OC)S[13CH3] 62a_200025704644_100010280452 [0,0,0,0,0,0|4,0,0]=4 282 B12R1.78 COc1ncc(cc1SC)C=O 62a_200000210301_200010064893 [0,0,0,0,0,0|1,1,0]=2 283 B12R1.78 COc1ncc(cc1SC)C=O 62a_200010064893_200000210301 [0,0,0,0,0,0|1,1,0]=2 284 B12R1.78 COc1ncc(cc1S[13CH3])C=O 62a_200010064893_200025704644 [0,0,0,0,0,0|1,1,0]=2 285 B12R1.78 COc1ncc(cc1S[13CH3])C=O 62a_200025704644_200010064893 [0,0,0,0,0,0|1,1,0]=2 286 B12R1.78 COc1ncc(nc1OC)SC 62a_100010132954_200000210301 [0,0,0,0,0,0|4,0,0]=4 287 B12R1.78 COc1ncc(nc1OC)SC 62a_200000210301_100010132954 [0,0,0,0,0,0|4,0,0]=4 288 B12R1.78 COc1ncc(nc1OC)S[13CH3] 62a_100010132954_200025704644 [0,0,0,0,0,0|4,0,0]=4 289 B12R1.78 COc1ncc(nc1OC)S[13CH3] 62a_200025704644_100010132954 [0,0,0,0,0,0|4,0,0]=4 290 B12R1.78 CSc1cc(ccc1C#N)C=O 62a_200000210301_100012355660 [0,0,0,0,0,0|2,1,0]=3 291 B12R1.78 CSc1cc(ccc1C=O)C=O 62a_100015597013_200000210301 [0,0,0,0,0,0|2,1,0]=3 292 B12R1.78 CSc1cc(ccc1C=O)C=O 62a_200000210301_100015597013 [0,0,0,0,0,0|2,1,0]=3 293 B12R1.78 CSc1ccc(cc1C#N)C=O 62a_200000210301_100010128726 [0,0,0,0,0,0|2,1,0]=3 294 B12R1.78 CSc1ccc(cc1CO)C=O 62a_100015639582_200000210301 [0,0,0,0,0,0|2,1,0]=3 295 B12R1.78 CSc1ccc(cc1CO)C=O 62a_200000210301_100015639582 [0,0,0,0,0,0|2,1,0]=3 296 B12R1.78 [13CH3]Oc1cc(ccc1CO)CO 34a_200010669990_200025704644 [0,0,0,0,0,0|2,0,2]=4 297 B12R1.78 [13CH3]Oc1ccc(cc1C#N)C#N 34a_200012183189_200025704644 [0,0,0,0,0,0|3,0,1]=4 298 B12R1.78 [13CH3]Oc1ccc(cc1C#N)C#N 7a_200012183189_200025704644 [0,0,0,0,0,0|3,0,1]=4 299 B12R1.78 [13CH3]Sc1cc(ccc1C#N)C=O 62a_200025704644_100012355660 [0,0,0,0,0,0|2,1,0]=3 300 B12R1.78 [13CH3]Sc1cc(ccc1C=O)C=O 62a_100015597013_200025704644 [0,0,0,0,0,0|2,1,0]=3 301 B12R1.78 [13CH3]Sc1cc(ccc1C=O)C=O 62a_200025704644_100015597013 [0,0,0,0,0,0|2,1,0]=3 302 B12R1.78 [13CH3]Sc1ccc(cc1C#N)C=O 62a_200025704644_100010128726 [0,0,0,0,0,0|2,1,0]=3 303 B12R1.78 [13CH3]Sc1ccc(cc1CO)C=O 62a_100015639582_200025704644 [0,0,0,0,0,0|2,1,0]=3 304 B12R1.78 [13CH3]Sc1ccc(cc1CO)C=O 62a_200025704644_100015639582 [0,0,0,0,0,0|2,1,0]=3 305 B11R1.37 C=Cc1cc(=O)[nH]cc1OC 271570a_100011290941_100121573661 [1,0,0,0,0,0|2,0,1]=4 306 B11R1.37 C=Cc1cc(ccc1OC)Br 271570a_100011290941_100012351588 [1,0,0,0,0,0|2,0,1]=4 307 B11R1.37 C=Cc1cc(ccc1OC)C 271570a_100011290941_100000186399 [1,0,0,0,0,0|1,0,2]=4 308 B11R1.37 C=Cc1cc(ccc1OC)Cl 271570a_100011290941_100011215930 [1,0,0,0,0,0|2,0,1]=4 309 B11R1.37 C=Cc1cc(ccc1OC)F 271570a_100011290941_100000171694 [1,0,0,0,0,0|2,0,1]=4 310 B11R1.37 C=Cc1cc(ccc1OC)N 271570a_100011290941_100000187427 [1,0,0,0,0,0|2,0,1]=4 311 B11R1.37 C=Cc1cc(ccc1OC)O 271570a_100011290941_100010084122 [1,0,0,0,0,0|1,0,2]=4 312 B11R1.37 C=Cc1ccc(cc1OC)Br 271570a_100011290941_100010245111 [1,0,0,0,0,0|2,0,1]=4 313 B11R1.37 C=Cc1ccc(cc1OC)C 271570a_100011290941_100010200004 [1,0,0,0,0,0|1,0,2]=4 314 B11R1.37 C=Cc1ccc(cc1OC)Cl 271570a_100011290941_100000050115 [1,0,0,0,0,0|2,0,1]=4 315 B11R1.37 C=Cc1ccc(cc1OC)F 271570a_100011290941_100000757151 [1,0,0,0,0,0|2,0,1]=4 316 B11R1.37 C=Cc1ccc(cc1OC)N 271570a_100011290941_100000765947 [1,0,0,0,0,0|2,0,1]=4 317 B11R1.37 C=Cc1ccc(cc1OC)O 271570a_100011290941_100011827694 [1,0,0,0,0,0|1,0,2]=4 318 B11R1.37 CCc1cc(ccc1NC)Br 2230a_100000686106_200000210301 [1,0,0,0,0,0|3,0,0]=4 319 B11R1.37 CCc1cc(ccc1NC)Br 34a_100000686106_200000210301 [1,0,0,0,0,0|3,0,0]=4 320 B11R1.37 CCc1cc(ccc1NC)Br 7a_100000686106_200000210301 [1,0,0,0,0,0|3,0,0]=4 321 B11R1.37 CCc1cc(ccc1NC)Cl 2230a_100012017146_200000210301 [1,0,0,0,0,0|3,0,0]=4 322 B11R1.37 CCc1cc(ccc1NC)Cl 34a_100012017146_200000210301 [1,0,0,0,0,0|3,0,0]=4 323 B11R1.37 CCc1cc(ccc1NC)Cl 7a_100012017146_200000210301 [1,0,0,0,0,0|3,0,0]=4 324 B11R1.37 CCc1cc(ccc1NC)I 2230a_100000014069_200000210301 [1,0,0,0,0,0|3,0,0]=4 325 B11R1.37 CCc1cc(ccc1NC)I 34a_100000014069_200000210301 [1,0,0,0,0,0|3,0,0]=4 326 B11R1.37 CCc1cc(ccc1NC)I 7a_100000014069_200000210301 [1,0,0,0,0,0|3,0,0]=4 327 B11R1.37 CCc1cc(ccc1N[13CH3])Br 2230a_100000686106_200025704644 [1,0,0,0,0,0|3,0,0]=4 328 B11R1.37 CCc1cc(ccc1N[13CH3])Br 34a_100000686106_200025704644 [1,0,0,0,0,0|3,0,0]=4 329 B11R1.37 CCc1cc(ccc1N[13CH3])Br 7a_100000686106_200025704644 [1,0,0,0,0,0|3,0,0]=4 330 B11R1.37 CCc1cc(ccc1N[13CH3])Cl 2230a_100012017146_200025704644 [1,0,0,0,0,0|3,0,0]=4 331 B11R1.37 CCc1cc(ccc1N[13CH3])Cl 34a_100012017146_200025704644 [1,0,0,0,0,0|3,0,0]=4 332 B11R1.37 CCc1cc(ccc1N[13CH3])Cl 7a_100012017146_200025704644 [1,0,0,0,0,0|3,0,0]=4 333 B11R1.37 CCc1cc(ccc1N[13CH3])I 2230a_100000014069_200025704644 [1,0,0,0,0,0|3,0,0]=4 334 B11R1.37 CCc1cc(ccc1N[13CH3])I 34a_100000014069_200025704644 [1,0,0,0,0,0|3,0,0]=4 335 B11R1.37 CCc1cc(ccc1N[13CH3])I 7a_100000014069_200025704644 [1,0,0,0,0,0|3,0,0]=4 336 B11R1.37 CCc1cc(ccc1OC)Br 34a_100012338938_200000210301 [1,0,0,0,0,0|2,0,0]=3 337 B11R1.37 CCc1cc(ccc1OC)Br 7a_100012338938_200000210301 [1,0,0,0,0,0|2,0,0]=3 338 B11R1.37 CCc1cc(ccc1OC)C 34a_100009844793_200000210301 [1,0,0,0,0,0|1,0,1]=3 339 B11R1.37 CCc1cc(ccc1OC)C 7a_100009844793_200000210301 [1,0,0,0,0,0|1,0,1]=3 340 B11R1.37 CCc1cc(ccc1OC)F 34a_200000035566_200000210301 [1,0,0,0,0,0|2,0,0]=3 341 B11R1.37 CCc1cc(ccc1OC)F 7a_200000035566_200000210301 [1,0,0,0,0,0|2,0,0]=3 342 B11R1.37 CCc1cc(ccc1OC)O 271570a_203496583355_200010179862 [1,0,0,0,0,0|1,0,1]=3 343 B11R1.37 CCc1cc(ccc1O[13CH3])Br 34a_100012338938_200025704644 [1,0,0,0,0,0|2,0,0]=3 344 B11R1.37 CCc1cc(ccc1O[13CH3])Br 7a_100012338938_200025704644 [1,0,0,0,0,0|2,0,0]=3 345 B11R1.37 CCc1cc(ccc1O[13CH3])C 34a_100009844793_200025704644 [1,0,0,0,0,0|1,0,1]=3 346 B11R1.37 CCc1cc(ccc1O[13CH3])C 7a_100009844793_200025704644 [1,0,0,0,0,0|1,0,1]=3 347 B11R1.37 CCc1cc(ccc1O[13CH3])F 34a_200000035566_200025704644 [1,0,0,0,0,0|2,0,0]=3 348 B11R1.37 CCc1cc(ccc1O[13CH3])F 7a_200000035566_200025704644 [1,0,0,0,0,0|2,0,0]=3 349 B11R1.37 CCc1cc(ccc1SC)Br 62a_100011216195_200000210301 [1,0,0,0,0,0|2,1,0]=4 350 B11R1.37 CCc1cc(ccc1SC)Br 62a_200000210301_100011216195 [1,0,0,0,0,0|2,1,0]=4 351 B11R1.37 CCc1cc(ccc1SC)N 62a_100010109747_200000210301 [1,0,0,0,0,0|2,1,0]=4 352 B11R1.37 CCc1cc(ccc1SC)N 62a_200000210301_100010109747 [1,0,0,0,0,0|2,1,0]=4 353 B11R1.37 CCc1cc(ccc1S[13CH3])Br 62a_100011216195_200025704644 [1,0,0,0,0,0|2,1,0]=4 354 B11R1.37 CCc1cc(ccc1S[13CH3])Br 62a_200025704644_100011216195 [1,0,0,0,0,0|2,1,0]=4 355 B11R1.37 CCc1cc(ccc1S[13CH3])N 62a_100010109747_200025704644 [1,0,0,0,0,0|2,1,0]=4 356 B11R1.37 CCc1cc(ccc1S[13CH3])N 62a_200025704644_100010109747 [1,0,0,0,0,0|2,1,0]=4 357 B11R1.37 CCc1ccc(cc1NC)Br 2230a_100012354963_200000210301 [1,0,0,0,0,0|3,0,0]=4 358 B11R1.37 CCc1ccc(cc1NC)Br 34a_100012354963_200000210301 [1,0,0,0,0,0|3,0,0]=4 359 B11R1.37 CCc1ccc(cc1NC)Br 7a_100012354963_200000210301 [1,0,0,0,0,0|3,0,0]=4 360 B11R1.37 CCc1ccc(cc1NC)Cl 2230a_200012281948_200000210301 [1,0,0,0,0,0|3,0,0]=4 361 B11R1.37 CCc1ccc(cc1NC)Cl 34a_200012281948_200000210301 [1,0,0,0,0,0|3,0,0]=4 362 B11R1.37 CCc1ccc(cc1NC)Cl 7a_200012281948_200000210301 [1,0,0,0,0,0|3,0,0]=4 363 B11R1.37 CCc1ccc(cc1N[13CH3])Br 2230a_100012354963_200025704644 [1,0,0,0,0,0|3,0,0]=4 364 B11R1.37 CCc1ccc(cc1N[13CH3])Br 34a_100012354963_200025704644 [1,0,0,0,0,0|3,0,0]=4 365 B11R1.37 CCc1ccc(cc1N[13CH3])Br 7a_100012354963_200025704644 [1,0,0,0,0,0|3,0,0]=4 366 B11R1.37 CCc1ccc(cc1N[13CH3])Cl 2230a_200012281948_200025704644 [1,0,0,0,0,0|3,0,0]=4 367 B11R1.37 CCc1ccc(cc1N[13CH3])Cl 34a_200012281948_200025704644 [1,0,0,0,0,0|3,0,0]=4 368 B11R1.37 CCc1ccc(cc1N[13CH3])Cl 7a_200012281948_200025704644 [1,0,0,0,0,0|3,0,0]=4 369 B11R1.37 CCc1ccc(cc1OC)O 271570a_203496583355_200010710398 [1,0,0,0,0,0|1,0,1]=3 370 B11R1.37 CCc1nc(ccc1OC)C 34a_100000718140_200000210301 [1,0,0,0,0,0|2,0,1]=4 371 B11R1.37 CCc1nc(ccc1OC)C 7a_100000718140_200000210301 [1,0,0,0,0,0|2,0,1]=4 372 B11R1.37 CCc1nc(ccc1O[13CH3])C 34a_100000718140_200025704644 [1,0,0,0,0,0|2,0,1]=4 373 B11R1.37 CCc1nc(ccc1O[13CH3])C 7a_100000718140_200025704644 [1,0,0,0,0,0|2,0,1]=4 374 B11R1.37 CNc1cc(ccc1OC)Br 34a_100000743470_200000210301 [1,0,0,0,0,0|2,0,0]=3 375 B11R1.37 CNc1cc(ccc1OC)C 2230a_100000210980_200000210301 [1,0,0,0,0,0|1,0,1]=3 376 B11R1.37 CNc1cc(ccc1OC)C 34a_100000210980_200000210301 [1,0,0,0,0,0|1,0,1]=3 377 B11R1.37 CNc1cc(ccc1OC)Cl 34a_100000182114_200000210301 [1,0,0,0,0,0|2,0,0]=3 378 B11R1.37 CNc1cc(ccc1OC)F 34a_100000757179_200000210301 [1,0,0,0,0,0|2,0,0]=3 379 B11R1.37 CNc1cc(ccc1SC)Cl 34a_100000745667_200000210301 [1,0,0,0,0,0|2,1,0]=4 380 B11R1.37 CNc1cc(ccc1SC)F 62a_100020633008_200000210301 [1,0,0,0,0,0|2,1,0]=4 381 B11R1.37 CNc1cc(ccc1SC)F 62a_200000210301_100020633008 [1,0,0,0,0,0|2,1,0]=4 382 B11R1.37 CNc1cc(ccc1S[13CH3])F 62a_100020633008_200025704644 [1,0,0,0,0,0|2,1,0]=4 383 B11R1.37 CNc1cc(ccc1S[13CH3])F 62a_200025704644_100020633008 [1,0,0,0,0,0|2,1,0]=4 384 B11R1.37 CNc1ccc(cc1OC)Br 34a_100011279103_200000210301 [1,0,0,0,0,0|2,0,0]=3 385 B11R1.37 CNc1ccc(cc1OC)C 2230a_100000746441_200000210301 [1,0,0,0,0,0|1,0,1]=3 386 B11R1.37 CNc1ccc(cc1OC)C 34a_100000746441_200000210301 [1,0,0,0,0,0|1,0,1]=3 387 B11R1.37 CNc1ccc(cc1OC)Cl 34a_100000707585_200000210301 [1,0,0,0,0,0|2,0,0]=3 388 B11R1.37 CNc1ccc(cc1OC)F 34a_100000737216_200000210301 [1,0,0,0,0,0|2,0,0]=3 389 B11R1.37 CNc1ccc(cc1OC)I 34a_100015196925_200000210301 [1,0,0,0,0,0|2,0,0]=3 390 B11R1.37 CNc1ccc(cc1OC)O 34a_100015326901_200000210301 [1,0,0,0,0,0|1,0,1]=3 391 B11R1.37 CNc1ccc(cc1SC)C 62a_100000221369_200000210301 [1,0,0,0,0,0|1,1,1]=4 392 B11R1.37 CNc1ccc(cc1SC)C 62a_200000210301_100000221369 [1,0,0,0,0,0|1,1,1]=4 393 B11R1.37 CNc1ccc(cc1SC)F 62a_100011246292_200000210301 [1,0,0,0,0,0|2,1,0]=4 394 B11R1.37 CNc1ccc(cc1SC)F 62a_200000210301_100011246292 [1,0,0,0,0,0|2,1,0]=4 395 B11R1.37 CNc1ccc(cc1S[13CH3])C 62a_100000221369_200025704644 [1,0,0,0,0,0|1,1,1]=4 396 B11R1.37 CNc1ccc(cc1S[13CH3])C 62a_200025704644_100000221369 [1,0,0,0,0,0|1,1,1]=4 397 B11R1.37 CNc1ccc(cc1S[13CH3])F 62a_100011246292_200025704644 [1,0,0,0,0,0|2,1,0]=4 398 B11R1.37 CNc1ccc(cc1S[13CH3])F 62a_200025704644_100011246292 [1,0,0,0,0,0|2,1,0]=4 399 B11R1.37 COc1c[nH]c(=O)cc1SC 62a_100121573661_200000210301 [1,0,0,0,0,0|1,1,0]=3 400 B11R1.37 COc1c[nH]c(=O)cc1SC 62a_200000210301_100121573661 [1,0,0,0,0,0|1,1,0]=3 401 B11R1.37 COc1c[nH]c(=O)cc1S[13CH3] 62a_100121573661_200025704644 [1,0,0,0,0,0|1,1,0]=3 402 B11R1.37 COc1c[nH]c(=O)cc1S[13CH3] 62a_200025704644_100121573661 [1,0,0,0,0,0|1,1,0]=3 403 B11R1.37 COc1cc(ccc1C#N)Br 34a_100011934713_200000210301 [1,0,0,0,0,0|3,0,0]=4 404 B11R1.37 COc1cc(ccc1C#N)Br 7a_100011934713_200000210301 [1,0,0,0,0,0|3,0,0]=4 405 B11R1.37 COc1cc(ccc1C#N)C 34a_100011640519_200000210301 [1,0,0,0,0,0|2,0,1]=4 406 B11R1.37 COc1cc(ccc1C#N)C 7a_100011640519_200000210301 [1,0,0,0,0,0|2,0,1]=4 407 B11R1.37 COc1cc(ccc1C#N)Cl 34a_100000688488_200000210301 [1,0,0,0,0,0|3,0,0]=4 408 B11R1.37 COc1cc(ccc1C#N)Cl 7a_100000688488_200000210301 [1,0,0,0,0,0|3,0,0]=4 409 B11R1.37 COc1cc(ccc1C#N)F 34a_100012185923_200000210301 [1,0,0,0,0,0|3,0,0]=4 410 B11R1.37 COc1cc(ccc1C#N)F 7a_100012185923_200000210301 [1,0,0,0,0,0|3,0,0]=4 411 B11R1.37 COc1cc(ccc1C#N)N 34a_100000094571_200000210301 [1,0,0,0,0,0|3,0,0]=4 412 B11R1.37 COc1cc(ccc1C#N)N 7a_100000094571_200000210301 [1,0,0,0,0,0|3,0,0]=4 413 B11R1.37 COc1cc(ccc1C#N)O 271570a_203496583355_100000694671 [1,0,0,0,0,0|2,0,1]=4 414 B11R1.37 COc1cc(ccc1C=O)O 271570a_203496583355_100000697075 [1,0,0,0,0,0|2,0,1]=4 415 B11R1.37 COc1cc(ccc1CO)Br 34a_100000071718_200000210301 [1,0,0,0,0,0|3,0,0]=4 416 B11R1.37 COc1cc(ccc1CO)Br 7a_100000071718_200000210301 [1,0,0,0,0,0|3,0,0]=4 417 B11R1.37 COc1cc(ccc1CO)O 271570a_203496583355_100011277633 [1,0,0,0,0,0|2,0,1]=4 418 B11R1.37 COc1cc(ccc1N[13CH3])Br 34a_100011279103_200025704644 [1,0,0,0,0,0|2,0,0]=3 419 B11R1.37 COc1cc(ccc1N[13CH3])C 2230a_100000746441_200025704644 [1,0,0,0,0,0|1,0,1]=3 420 B11R1.37 COc1cc(ccc1N[13CH3])C 34a_100000746441_200025704644 [1,0,0,0,0,0|1,0,1]=3 421 B11R1.37 COc1cc(ccc1N[13CH3])Cl 34a_100000707585_200025704644 [1,0,0,0,0,0|2,0,0]=3 422 B11R1.37 COc1cc(ccc1N[13CH3])F 34a_100000737216_200025704644 [1,0,0,0,0,0|2,0,0]=3 423 B11R1.37 COc1cc(ccc1N[13CH3])I 34a_100015196925_200025704644 [1,0,0,0,0,0|2,0,0]=3 424 B11R1.37 COc1cc(ccc1N[13CH3])O 34a_100015326901_200025704644 [1,0,0,0,0,0|1,0,1]=3 425 B11R1.37 COc1cc(ccc1O[13CH3])Br 34a_100000694246_200025704644 [1,0,0,0,0,0|1,0,0]=2 426 B11R1.37 COc1cc(ccc1O[13CH3])Br 7a_100000694246_200025704644 [1,0,0,0,0,0|1,0,0]=2 427 B11R1.37 COc1cc(ccc1O[13CH3])C 34a_100000186466_200025704644 [1,0,0,0,0,0|0,0,1]=2 428 B11R1.37 COc1cc(ccc1O[13CH3])Cl 34a_100000033002_200025704644 [1,0,0,0,0,0|1,0,0]=2 429 B11R1.37 COc1cc(ccc1O[13CH3])F 34a_100000036057_200025704644 [1,0,0,0,0,0|1,0,0]=2 430 B11R1.37 COc1cc(ccc1O[13CH3])F 7a_100000036057_200025704644 [1,0,0,0,0,0|1,0,0]=2 431 B11R1.37 COc1cc(ccc1O[13CH3])I 34a_100000049635_200025704644 [1,0,0,0,0,0|1,0,0]=2 432 B11R1.37 COc1cc(ccc1O[13CH3])N 34a_100000726020_200025704644 [1,0,0,0,0,0|1,0,0]=2 433 B11R1.37 COc1cc(ccc1SC)Br 62a_100010245111_200000210301 [1,0,0,0,0,0|1,1,0]=3 434 B11R1.37 COc1cc(ccc1SC)Br 62a_200000210301_100010245111 [1,0,0,0,0,0|1,1,0]=3 435 B11R1.37 COc1cc(ccc1SC)C 62a_100010200004_200000210301 [1,0,0,0,0,0|0,1,1]=3 436 B11R1.37 COc1cc(ccc1SC)C 62a_200000210301_100010200004 [1,0,0,0,0,0|0,1,1]=3 437 B11R1.37 COc1cc(ccc1SC)Cl 62a_100000050115_200000210301 [1,0,0,0,0,0|1,1,0]=3 438 B11R1.37 COc1cc(ccc1SC)Cl 62a_200000210301_100000050115 [1,0,0,0,0,0|1,1,0]=3 439 B11R1.37 COc1cc(ccc1SC)F 62a_100000757151_200000210301 [1,0,0,0,0,0|1,1,0]=3 440 B11R1.37 COc1cc(ccc1SC)F 62a_200000210301_100000757151 [1,0,0,0,0,0|1,1,0]=3 441 B11R1.37 COc1cc(ccc1SC)N 62a_100000765947_200000210301 [1,0,0,0,0,0|1,1,0]=3 442 B11R1.37 COc1cc(ccc1SC)N 62a_200000210301_100000765947 [1,0,0,0,0,0|1,1,0]=3 443 B11R1.37 COc1cc(ccc1SC)O 271570a_203496583355_200011001119 [1,0,0,0,0,0|0,1,1]=3 444 B11R1.37 COc1cc(ccc1SC)O 62a_200000210301_100011827694 [1,0,0,0,0,0|0,1,1]=3 445 B11R1.37 COc1cc(ccc1S[13CH3])Br 62a_100010245111_200025704644 [1,0,0,0,0,0|1,1,0]=3 446 B11R1.37 COc1cc(ccc1S[13CH3])Br 62a_200025704644_100010245111 [1,0,0,0,0,0|1,1,0]=3 447 B11R1.37 COc1cc(ccc1S[13CH3])C 62a_100010200004_200025704644 [1,0,0,0,0,0|0,1,1]=3 448 B11R1.37 COc1cc(ccc1S[13CH3])C 62a_200025704644_100010200004 [1,0,0,0,0,0|0,1,1]=3 449 B11R1.37 COc1cc(ccc1S[13CH3])Cl 62a_100000050115_200025704644 [1,0,0,0,0,0|1,1,0]=3 450 B11R1.37 COc1cc(ccc1S[13CH3])Cl 62a_200025704644_100000050115 [1,0,0,0,0,0|1,1,0]=3 451 B11R1.37 COc1cc(ccc1S[13CH3])F 62a_100000757151_200025704644 [1,0,0,0,0,0|1,1,0]=3 452 B11R1.37 COc1cc(ccc1S[13CH3])F 62a_200025704644_100000757151 [1,0,0,0,0,0|1,1,0]=3 453 B11R1.37 COc1cc(ccc1S[13CH3])N 62a_100000765947_200025704644 [1,0,0,0,0,0|1,1,0]=3 454 B11R1.37 COc1cc(ccc1S[13CH3])N 62a_200025704644_100000765947 [1,0,0,0,0,0|1,1,0]=3 455 B11R1.37 COc1cc(ccc1S[13CH3])O 62a_200025704644_100011827694 [1,0,0,0,0,0|0,1,1]=3 456 B11R1.37 COc1cc(cnc1OC)Br 34a_100010135713_200000210301 [1,0,0,0,0,0|2,0,0]=3 457 B11R1.37 COc1cc(cnc1OC)Cl 34a_200009845368_200000210301 [1,0,0,0,0,0|2,0,0]=3 458 B11R1.37 COc1cc(cnc1OC)O 271570a_203496583355_100010234541 [1,0,0,0,0,0|1,0,1]=3 459 B11R1.37 COc1cc(cnc1O[13CH3])Cl 34a_200009845368_200025704644 [1,0,0,0,0,0|2,0,0]=3 460 B11R1.37 COc1cc(cnc1SC)C 62a_200000210301_200000118316 [1,0,0,0,0,0|1,1,1]=4 461 B11R1.37 COc1cc(cnc1SC)F 62a_100010136273_200000210301 [1,0,0,0,0,0|2,1,0]=4 462 B11R1.37 COc1cc(cnc1SC)F 62a_200000210301_100009867738 [1,0,0,0,0,0|2,1,0]=4 463 B11R1.37 COc1cc(cnc1SC)N 62a_200000210301_100000097218 [1,0,0,0,0,0|2,1,0]=4 464 B11R1.37 COc1cc(cnc1SC)N 62a_200010291755_200000210301 [1,0,0,0,0,0|2,1,0]=4 465 B11R1.37 COc1cc(cnc1S[13CH3])C 62a_200025704644_200000118316 [1,0,0,0,0,0|1,1,1]=4 466 B11R1.37 COc1cc(cnc1S[13CH3])F 62a_100010136273_200025704644 [1,0,0,0,0,0|2,1,0]=4 467 B11R1.37 COc1cc(cnc1S[13CH3])F 62a_200025704644_100009867738 [1,0,0,0,0,0|2,1,0]=4 468 B11R1.37 COc1cc(cnc1S[13CH3])N 62a_200010291755_200025704644 [1,0,0,0,0,0|2,1,0]=4 469 B11R1.37 COc1cc(cnc1S[13CH3])N 62a_200025704644_100000097218 [1,0,0,0,0,0|2,1,0]=4 470 B11R1.37 COc1cc(ncc1SC)C 62a_100000717771_200000210301 [1,0,0,0,0,0|1,1,1]=4 471 B11R1.37 COc1cc(ncc1SC)C 62a_200000210301_100000717771 [1,0,0,0,0,0|1,1,1]=4 472 B11R1.37 COc1cc(ncc1SC)Cl 62a_100010154656_200000210301 [1,0,0,0,0,0|2,1,0]=4 473 B11R1.37 COc1cc(ncc1SC)Cl 62a_200000210301_100010154656 [1,0,0,0,0,0|2,1,0]=4 474 B11R1.37 COc1cc(ncc1SC)F 62a_100010135560_200000210301 [1,0,0,0,0,0|2,1,0]=4 475 B11R1.37 COc1cc(ncc1SC)F 62a_200000210301_100010135560 [1,0,0,0,0,0|2,1,0]=4 476 B11R1.37 COc1cc(ncc1SC)N 62a_100015506990_200000210301 [1,0,0,0,0,0|2,1,0]=4 477 B11R1.37 COc1cc(ncc1SC)N 62a_200000210301_100015506990 [1,0,0,0,0,0|2,1,0]=4 478 B11R1.37 COc1cc(ncc1S[13CH3])C 62a_100000717771_200025704644 [1,0,0,0,0,0|1,1,1]=4 479 B11R1.37 COc1cc(ncc1S[13CH3])C 62a_200025704644_100000717771 [1,0,0,0,0,0|1,1,1]=4 480 B11R1.37 COc1cc(ncc1S[13CH3])Cl 62a_100010154656_200025704644 [1,0,0,0,0,0|2,1,0]=4 481 B11R1.37 COc1cc(ncc1S[13CH3])Cl 62a_200025704644_100010154656 [1,0,0,0,0,0|2,1,0]=4 482 B11R1.37 COc1cc(ncc1S[13CH3])F 62a_100010135560_200025704644 [1,0,0,0,0,0|2,1,0]=4 483 B11R1.37 COc1cc(ncc1S[13CH3])F 62a_200025704644_100010135560 [1,0,0,0,0,0|2,1,0]=4 484 B11R1.37 COc1cc(ncc1S[13CH3])N 62a_100015506990_200025704644 [1,0,0,0,0,0|2,1,0]=4 485 B11R1.37 COc1cc(ncc1S[13CH3])N 62a_200025704644_100015506990 [1,0,0,0,0,0|2,1,0]=4 486 B11R1.37 COc1cc(nnc1OC)O 271570a_203496583355_200000095610 [1,0,0,0,0,0|2,0,1]=4 487 B11R1.37 COc1ccc(cc1C#N)Br 34a_100000687585_200000210301 [1,0,0,0,0,0|3,0,0]=4 488 B11R1.37 COc1ccc(cc1C#N)Br 7a_100000687585_200000210301 [1,0,0,0,0,0|3,0,0]=4 489 B11R1.37 COc1ccc(cc1C#N)C 34a_200012180384_200000210301 [1,0,0,0,0,0|2,0,1]=4 490 B11R1.37 COc1ccc(cc1C#N)C 7a_200012180384_200000210301 [1,0,0,0,0,0|2,0,1]=4 491 B11R1.37 COc1ccc(cc1C#N)Cl 34a_100011219380_200000210301 [1,0,0,0,0,0|3,0,0]=4 492 B11R1.37 COc1ccc(cc1C#N)Cl 7a_100011219380_200000210301 [1,0,0,0,0,0|3,0,0]=4 493 B11R1.37 COc1ccc(cc1C#N)F 34a_100011900173_200000210301 [1,0,0,0,0,0|3,0,0]=4 494 B11R1.37 COc1ccc(cc1C#N)F 7a_100011900173_200000210301 [1,0,0,0,0,0|3,0,0]=4 495 B11R1.37 COc1ccc(cc1C#N)I 34a_200000049958_200000210301 [1,0,0,0,0,0|3,0,0]=4 496 B11R1.37 COc1ccc(cc1C#N)I 7a_200000049958_200000210301 [1,0,0,0,0,0|3,0,0]=4 497 B11R1.37 COc1ccc(cc1C#N)N 34a_100011249283_200000210301 [1,0,0,0,0,0|3,0,0]=4 498 B11R1.37 COc1ccc(cc1C#N)N 7a_100011249283_200000210301 [1,0,0,0,0,0|3,0,0]=4 499 B11R1.37 COc1ccc(cc1C#N)O 271570a_203496583355_100000188252 [1,0,0,0,0,0|2,0,1]=4 500 B11R1.37 COc1ccc(cc1C=O)O 271570a_203496583355_100000170026 [1,0,0,0,0,0|2,0,1]=4 501 B11R1.37 COc1ccc(cc1CBr)F 34a_100010161318_200000210301 [1,0,0,0,0,0|3,0,0]=4 502 B11R1.37 COc1ccc(cc1CBr)F 7a_100010161318_200000210301 [1,0,0,0,0,0|3,0,0]=4 503 B11R1.37 COc1ccc(cc1CN)Br 34a_100000730032_200000210301 [1,0,0,0,0,0|3,0,0]=4 504 B11R1.37 COc1ccc(cc1CN)Cl 34a_100000238540_200000210301 [1,0,0,0,0,0|3,0,0]=4 505 B11R1.37 COc1ccc(cc1CN)O 271570a_203496583355_100000690498 [1,0,0,0,0,0|2,0,1]=4 506 B11R1.37 COc1ccc(cc1CO)Br 34a_100000184703_200000210301 [1,0,0,0,0,0|3,0,0]=4 507 B11R1.37 COc1ccc(cc1CO)Br 7a_100000184703_200000210301 [1,0,0,0,0,0|3,0,0]=4 508 B11R1.37 COc1ccc(cc1CO)C 34a_200011846009_200000210301 [1,0,0,0,0,0|2,0,1]=4 509 B11R1.37 COc1ccc(cc1CO)C 7a_200011846009_200000210301 [1,0,0,0,0,0|2,0,1]=4 510 B11R1.37 COc1ccc(cc1CO)Cl 34a_100011218961_200000210301 [1,0,0,0,0,0|3,0,0]=4 511 B11R1.37 COc1ccc(cc1CO)Cl 7a_100011218961_200000210301 [1,0,0,0,0,0|3,0,0]=4 512 B11R1.37 COc1ccc(cc1CO)F 34a_100011291448_200000210301 [1,0,0,0,0,0|3,0,0]=4 513 B11R1.37 COc1ccc(cc1CO)F 7a_100011291448_200000210301 [1,0,0,0,0,0|3,0,0]=4 514 B11R1.37 COc1ccc(cc1CO)I 34a_100000049520_200000210301 [1,0,0,0,0,0|3,0,0]=4 515 B11R1.37 COc1ccc(cc1CO)I 7a_100000049520_200000210301 [1,0,0,0,0,0|3,0,0]=4 516 B11R1.37 COc1ccc(cc1CO)O 271570a_203496583355_100000204679 [1,0,0,0,0,0|2,0,1]=4 517 B11R1.37 COc1ccc(cc1N[13CH3])Br 34a_100000743470_200025704644 [1,0,0,0,0,0|2,0,0]=3 518 B11R1.37 COc1ccc(cc1N[13CH3])C 2230a_100000210980_200025704644 [1,0,0,0,0,0|1,0,1]=3 519 B11R1.37 COc1ccc(cc1N[13CH3])C 34a_100000210980_200025704644 [1,0,0,0,0,0|1,0,1]=3 520 B11R1.37 COc1ccc(cc1N[13CH3])Cl 34a_100000182114_200025704644 [1,0,0,0,0,0|2,0,0]=3 521 B11R1.37 COc1ccc(cc1N[13CH3])F 34a_100000757179_200025704644 [1,0,0,0,0,0|2,0,0]=3 522 B11R1.37 COc1ccc(cc1OC)Br 34a_100000694246_200000210301 [1,0,0,0,0,0|1,0,0]=2 523 B11R1.37 COc1ccc(cc1OC)Br 34a_100009816560_200000210301 [1,0,0,0,0,0|1,0,0]=2 524 B11R1.37 COc1ccc(cc1OC)Br 7a_100000694246_200000210301 [1,0,0,0,0,0|1,0,0]=2 525 B11R1.37 COc1ccc(cc1OC)Br 7a_100009816560_200000210301 [1,0,0,0,0,0|1,0,0]=2 526 B11R1.37 COc1ccc(cc1OC)C 34a_100000186466_200000210301 [1,0,0,0,0,0|0,0,1]=2 527 B11R1.37 COc1ccc(cc1OC)C 34a_100011216497_200000210301 [1,0,0,0,0,0|0,0,1]=2 528 B11R1.37 COc1ccc(cc1OC)C 7a_100011216497_200000210301 [1,0,0,0,0,0|0,0,1]=2 529 B11R1.37 COc1ccc(cc1OC)Cl 34a_100000033002_200000210301 [1,0,0,0,0,0|1,0,0]=2 530 B11R1.37 COc1ccc(cc1OC)Cl 34a_100000101779_200000210301 [1,0,0,0,0,0|1,0,0]=2 531 B11R1.37 COc1ccc(cc1OC)Cl 7a_100000101779_200000210301 [1,0,0,0,0,0|1,0,0]=2 532 B11R1.37 COc1ccc(cc1OC)F 34a_100000034962_200000210301 [1,0,0,0,0,0|1,0,0]=2 533 B11R1.37 COc1ccc(cc1OC)F 34a_100000036057_200000210301 [1,0,0,0,0,0|1,0,0]=2 534 B11R1.37 COc1ccc(cc1OC)F 7a_100000034962_200000210301 [1,0,0,0,0,0|1,0,0]=2 535 B11R1.37 COc1ccc(cc1OC)F 7a_100000036057_200000210301 [1,0,0,0,0,0|1,0,0]=2 536 B11R1.37 COc1ccc(cc1OC)I 34a_100000049635_200000210301 [1,0,0,0,0,0|1,0,0]=2 537 B11R1.37 COc1ccc(cc1OC)N 34a_100000211920_200000210301 [1,0,0,0,0,0|1,0,0]=2 538 B11R1.37 COc1ccc(cc1OC)N 34a_100000726020_200000210301 [1,0,0,0,0,0|1,0,0]=2 539 B11R1.37 COc1ccc(cc1OC)O 271570a_203496583355_100000187503 [1,0,0,0,0,0|0,0,1]=2 540 B11R1.37 COc1ccc(cc1O[13CH3])Br 34a_100009816560_200025704644 [1,0,0,0,0,0|1,0,0]=2 541 B11R1.37 COc1ccc(cc1O[13CH3])Br 7a_100009816560_200025704644 [1,0,0,0,0,0|1,0,0]=2 542 B11R1.37 COc1ccc(cc1O[13CH3])C 34a_100011216497_200025704644 [1,0,0,0,0,0|0,0,1]=2 543 B11R1.37 COc1ccc(cc1O[13CH3])C 7a_100011216497_200025704644 [1,0,0,0,0,0|0,0,1]=2 544 B11R1.37 COc1ccc(cc1O[13CH3])Cl 34a_100000101779_200025704644 [1,0,0,0,0,0|1,0,0]=2 545 B11R1.37 COc1ccc(cc1O[13CH3])Cl 7a_100000101779_200025704644 [1,0,0,0,0,0|1,0,0]=2 546 B11R1.37 COc1ccc(cc1O[13CH3])F 34a_100000034962_200025704644 [1,0,0,0,0,0|1,0,0]=2 547 B11R1.37 COc1ccc(cc1O[13CH3])F 7a_100000034962_200025704644 [1,0,0,0,0,0|1,0,0]=2 548 B11R1.37 COc1ccc(cc1O[13CH3])N 34a_100000211920_200025704644 [1,0,0,0,0,0|1,0,0]=2 549 B11R1.37 COc1ccc(cc1SC)Br 62a_100012351588_200000210301 [1,0,0,0,0,0|1,1,0]=3 550 B11R1.37 COc1ccc(cc1SC)Br 62a_200000210301_100012351588 [1,0,0,0,0,0|1,1,0]=3 551 B11R1.37 COc1ccc(cc1SC)C 62a_100000186399_200000210301 [1,0,0,0,0,0|0,1,1]=3 552 B11R1.37 COc1ccc(cc1SC)C 62a_200000210301_100000186399 [1,0,0,0,0,0|0,1,1]=3 553 B11R1.37 COc1ccc(cc1SC)Cl 62a_100011215930_200000210301 [1,0,0,0,0,0|1,1,0]=3 554 B11R1.37 COc1ccc(cc1SC)Cl 62a_200000210301_100011215930 [1,0,0,0,0,0|1,1,0]=3 555 B11R1.37 COc1ccc(cc1SC)F 62a_100000171694_200000210301 [1,0,0,0,0,0|1,1,0]=3 556 B11R1.37 COc1ccc(cc1SC)F 62a_200000210301_100000171694 [1,0,0,0,0,0|1,1,0]=3 557 B11R1.37 COc1ccc(cc1SC)N 62a_100011356947_200000210301 [1,0,0,0,0,0|1,1,0]=3 558 B11R1.37 COc1ccc(cc1SC)N 62a_200000210301_100011356947 [1,0,0,0,0,0|1,1,0]=3 559 B11R1.37 COc1ccc(cc1SC)O 271570a_203496583355_200009892704 [1,0,0,0,0,0|0,1,1]=3 560 B11R1.37 COc1ccc(cc1SC)O 62a_100010234764_200000210301 [1,0,0,0,0,0|0,1,1]=3 561 B11R1.37 COc1ccc(cc1SC)O 62a_200000210301_100010234764 [1,0,0,0,0,0|0,1,1]=3 562 B11R1.37 COc1ccc(cc1S[13CH3])Br 62a_100012351588_200025704644 [1,0,0,0,0,0|1,1,0]=3 563 B11R1.37 COc1ccc(cc1S[13CH3])Br 62a_200025704644_100012351588 [1,0,0,0,0,0|1,1,0]=3 564 B11R1.37 COc1ccc(cc1S[13CH3])C 62a_100000186399_200025704644 [1,0,0,0,0,0|0,1,1]=3 565 B11R1.37 COc1ccc(cc1S[13CH3])C 62a_200025704644_100000186399 [1,0,0,0,0,0|0,1,1]=3 566 B11R1.37 COc1ccc(cc1S[13CH3])Cl 62a_100011215930_200025704644 [1,0,0,0,0,0|1,1,0]=3 567 B11R1.37 COc1ccc(cc1S[13CH3])Cl 62a_200025704644_100011215930 [1,0,0,0,0,0|1,1,0]=3 568 B11R1.37 COc1ccc(cc1S[13CH3])F 62a_100000171694_200025704644 [1,0,0,0,0,0|1,1,0]=3 569 B11R1.37 COc1ccc(cc1S[13CH3])F 62a_200025704644_100000171694 [1,0,0,0,0,0|1,1,0]=3 570 B11R1.37 COc1ccc(cc1S[13CH3])N 62a_100011356947_200025704644 [1,0,0,0,0,0|1,1,0]=3 571 B11R1.37 COc1ccc(cc1S[13CH3])N 62a_200025704644_100011356947 [1,0,0,0,0,0|1,1,0]=3 572 B11R1.37 COc1ccc(cc1S[13CH3])O 62a_100010234764_200025704644 [1,0,0,0,0,0|0,1,1]=3 573 B11R1.37 COc1ccc(cc1S[13CH3])O 62a_200025704644_100010234764 [1,0,0,0,0,0|0,1,1]=3 574 B11R1.37 COc1ccc(nc1OC)Br 34a_100010893133_200000210301 [1,0,0,0,0,0|2,0,0]=3 575 B11R1.37 COc1ccc(nc1OC)O 271570a_203496583355_100010214848 [1,0,0,0,0,0|1,0,1]=3 576 B11R1.37 COc1ccc(nc1SC)C 62a_100009820875_200000210301 [1,0,0,0,0,0|1,1,1]=4 577 B11R1.37 COc1ccc(nc1SC)C 62a_200000210301_100009820875 [1,0,0,0,0,0|1,1,1]=4 578 B11R1.37 COc1ccc(nc1SC)N 62a_100010172607_200000210301 [1,0,0,0,0,0|2,1,0]=4 579 B11R1.37 COc1ccc(nc1SC)N 62a_200000210301_100010172607 [1,0,0,0,0,0|2,1,0]=4 580 B11R1.37 COc1ccc(nc1S[13CH3])C 62a_100009820875_200025704644 [1,0,0,0,0,0|1,1,1]=4 581 B11R1.37 COc1ccc(nc1S[13CH3])C 62a_200025704644_100009820875 [1,0,0,0,0,0|1,1,1]=4 582 B11R1.37 COc1ccc(nc1S[13CH3])N 62a_100010172607_200025704644 [1,0,0,0,0,0|2,1,0]=4 583 B11R1.37 COc1ccc(nc1S[13CH3])N 62a_200025704644_100010172607 [1,0,0,0,0,0|2,1,0]=4 584 B11R1.37 COc1cnc(cc1OC)Br 34a_100010264082_200000210301 [1,0,0,0,0,0|2,0,0]=3 585 B11R1.37 COc1cnc(cc1OC)Cl 34a_100009849459_200000210301 [1,0,0,0,0,0|2,0,0]=3 586 B11R1.37 COc1cnc(cc1O[13CH3])Br 34a_100010264082_200025704644 [1,0,0,0,0,0|2,0,0]=3 587 B11R1.37 COc1cnc(cc1O[13CH3])Cl 34a_100009849459_200025704644 [1,0,0,0,0,0|2,0,0]=3 588 B11R1.37 COc1cnc(cc1SC)C 62a_100010109759_200000210301 [1,0,0,0,0,0|1,1,1]=4 589 B11R1.37 COc1cnc(cc1SC)C 62a_200000210301_100010109759 [1,0,0,0,0,0|1,1,1]=4 590 B11R1.37 COc1cnc(cc1S[13CH3])C 62a_100010109759_200025704644 [1,0,0,0,0,0|1,1,1]=4 591 B11R1.37 COc1cnc(cc1S[13CH3])C 62a_200025704644_100010109759 [1,0,0,0,0,0|1,1,1]=4 592 B11R1.37 COc1cnc(nc1OC)O 271570a_203496583355_100010280452 [1,0,0,0,0,0|2,0,1]=4 593 B11R1.37 COc1nc(ccc1O[13CH3])Br 34a_100010893133_200025704644 [1,0,0,0,0,0|2,0,0]=3 594 B11R1.37 COc1nc(ccc1SC)C 62a_100010138632_200000210301 [1,0,0,0,0,0|1,1,1]=4 595 B11R1.37 COc1nc(ccc1SC)C 62a_200000210301_100010138632 [1,0,0,0,0,0|1,1,1]=4 596 B11R1.37 COc1nc(ccc1SC)N 62a_100010187630_200000210301 [1,0,0,0,0,0|2,1,0]=4 597 B11R1.37 COc1nc(ccc1SC)N 62a_200000210301_100010187630 [1,0,0,0,0,0|2,1,0]=4 598 B11R1.37 COc1nc(ccc1S[13CH3])C 62a_100010138632_200025704644 [1,0,0,0,0,0|1,1,1]=4 599 B11R1.37 COc1nc(ccc1S[13CH3])C 62a_200025704644_100010138632 [1,0,0,0,0,0|1,1,1]=4 600 B11R1.37 COc1nc(ccc1S[13CH3])N 62a_100010187630_200025704644 [1,0,0,0,0,0|2,1,0]=4 601 B11R1.37 COc1nc(ccc1S[13CH3])N 62a_200025704644_100010187630 [1,0,0,0,0,0|2,1,0]=4 602 B11R1.37 COc1ncc(cc1O[13CH3])Br 34a_100010135713_200025704644 [1,0,0,0,0,0|2,0,0]=3 603 B11R1.37 COc1ncc(cc1SC)Br 62a_100009814608_200000210301 [1,0,0,0,0,0|2,1,0]=4 604 B11R1.37 COc1ncc(cc1SC)Br 62a_200000210301_100009814608 [1,0,0,0,0,0|2,1,0]=4 605 B11R1.37 COc1ncc(cc1SC)C 62a_100012353929_200000210301 [1,0,0,0,0,0|1,1,1]=4 606 B11R1.37 COc1ncc(cc1SC)C 62a_200000210301_100012353929 [1,0,0,0,0,0|1,1,1]=4 607 B11R1.37 COc1ncc(cc1SC)F 62a_100009828472_200000210301 [1,0,0,0,0,0|2,1,0]=4 608 B11R1.37 COc1ncc(cc1SC)F 62a_200000210301_100009828472 [1,0,0,0,0,0|2,1,0]=4 609 B11R1.37 COc1ncc(cc1SC)N 62a_100012351452_200000210301 [1,0,0,0,0,0|2,1,0]=4 610 B11R1.37 COc1ncc(cc1SC)N 62a_200000210301_100012351452 [1,0,0,0,0,0|2,1,0]=4 611 B11R1.37 COc1ncc(cc1S[13CH3])Br 62a_100009814608_200025704644 [1,0,0,0,0,0|2,1,0]=4 612 B11R1.37 COc1ncc(cc1S[13CH3])Br 62a_200025704644_100009814608 [1,0,0,0,0,0|2,1,0]=4 613 B11R1.37 COc1ncc(cc1S[13CH3])C 62a_100012353929_200025704644 [1,0,0,0,0,0|1,1,1]=4 614 B11R1.37 COc1ncc(cc1S[13CH3])C 62a_200025704644_100012353929 [1,0,0,0,0,0|1,1,1]=4 615 B11R1.37 COc1ncc(cc1S[13CH3])F 62a_100009828472_200025704644 [1,0,0,0,0,0|2,1,0]=4 616 B11R1.37 COc1ncc(cc1S[13CH3])F 62a_200025704644_100009828472 [1,0,0,0,0,0|2,1,0]=4 617 B11R1.37 COc1ncc(cc1S[13CH3])N 62a_100012351452_200025704644 [1,0,0,0,0,0|2,1,0]=4 618 B11R1.37 COc1ncc(cc1S[13CH3])N 62a_200025704644_100012351452 [1,0,0,0,0,0|2,1,0]=4 619 B11R1.37 COc1ncc(nc1OC)O 271570a_203496583355_100010132954 [1,0,0,0,0,0|2,0,1]=4 620 B11R1.37 CSc1cc(ccc1S[13CH3])C 62a_200010709736_200025704644 [1,0,0,0,0,0|0,2,1]=4 621 B11R1.37 CSc1cc(ccc1S[13CH3])C 62a_200025704644_200010709736 [1,0,0,0,0,0|0,2,1]=4 622 B11R1.37 CSc1ccc(cc1N[13CH3])Cl 34a_100000745667_200025704644 [1,0,0,0,0,0|2,1,0]=4 623 B11R1.37 CSc1ccc(cc1SC)C 62a_200000210301_200010201864 [1,0,0,0,0,0|0,2,1]=4 624 B11R1.37 CSc1ccc(cc1SC)C 62a_200000210301_200010709736 [1,0,0,0,0,0|0,2,1]=4 625 B11R1.37 CSc1ccc(cc1SC)C 62a_200010201864_200000210301 [1,0,0,0,0,0|0,2,1]=4 626 B11R1.37 CSc1ccc(cc1SC)C 62a_200010709736_200000210301 [1,0,0,0,0,0|0,2,1]=4 627 B11R1.37 CSc1ccc(cc1SC)F 62a_100009817003_200000210301 [1,0,0,0,0,0|1,2,0]=4 628 B11R1.37 CSc1ccc(cc1SC)F 62a_200000210301_100009817003 [1,0,0,0,0,0|1,2,0]=4 629 B11R1.37 CSc1ccc(cc1S[13CH3])C 62a_200010201864_200025704644 [1,0,0,0,0,0|0,2,1]=4 630 B11R1.37 CSc1ccc(cc1S[13CH3])C 62a_200025704644_200010201864 [1,0,0,0,0,0|0,2,1]=4 631 B11R1.37 CSc1ccc(cc1S[13CH3])F 62a_100009817003_200025704644 [1,0,0,0,0,0|1,2,0]=4 632 B11R1.37 CSc1ccc(cc1S[13CH3])F 62a_200025704644_100009817003 [1,0,0,0,0,0|1,2,0]=4 633 B11R1.37 Cc1ccc(c(c1)C#N)O[13CH3] 34a_200012180384_200025704644 [1,0,0,0,0,0|2,0,1]=4 634 B11R1.37 Cc1ccc(c(c1)C#N)O[13CH3] 7a_200012180384_200025704644 [1,0,0,0,0,0|2,0,1]=4 635 B11R1.37 Cc1ccc(c(c1)CO)O[13CH3] 34a_200011846009_200025704644 [1,0,0,0,0,0|2,0,1]=4 636 B11R1.37 Cc1ccc(c(c1)CO)O[13CH3] 7a_200011846009_200025704644 [1,0,0,0,0,0|2,0,1]=4 637 B11R1.37 Cc1ccc(c(c1)O[13CH3])C#N 34a_100011640519_200025704644 [1,0,0,0,0,0|2,0,1]=4 638 B11R1.37 Cc1ccc(c(c1)O[13CH3])C#N 7a_100011640519_200025704644 [1,0,0,0,0,0|2,0,1]=4 639 B11R1.37 [13CH3]Oc1cc(ccc1C#N)Br 34a_100011934713_200025704644 [1,0,0,0,0,0|3,0,0]=4 640 B11R1.37 [13CH3]Oc1cc(ccc1C#N)Br 7a_100011934713_200025704644 [1,0,0,0,0,0|3,0,0]=4 641 B11R1.37 [13CH3]Oc1cc(ccc1C#N)Cl 34a_100000688488_200025704644 [1,0,0,0,0,0|3,0,0]=4 642 B11R1.37 [13CH3]Oc1cc(ccc1C#N)Cl 7a_100000688488_200025704644 [1,0,0,0,0,0|3,0,0]=4 643 B11R1.37 [13CH3]Oc1cc(ccc1C#N)F 34a_100012185923_200025704644 [1,0,0,0,0,0|3,0,0]=4 644 B11R1.37 [13CH3]Oc1cc(ccc1C#N)F 7a_100012185923_200025704644 [1,0,0,0,0,0|3,0,0]=4 645 B11R1.37 [13CH3]Oc1cc(ccc1C#N)N 34a_100000094571_200025704644 [1,0,0,0,0,0|3,0,0]=4 646 B11R1.37 [13CH3]Oc1cc(ccc1C#N)N 7a_100000094571_200025704644 [1,0,0,0,0,0|3,0,0]=4 647 B11R1.37 [13CH3]Oc1cc(ccc1CO)Br 34a_100000071718_200025704644 [1,0,0,0,0,0|3,0,0]=4 648 B11R1.37 [13CH3]Oc1cc(ccc1CO)Br 7a_100000071718_200025704644 [1,0,0,0,0,0|3,0,0]=4 649 B11R1.37 [13CH3]Oc1ccc(cc1C#N)Br 34a_100000687585_200025704644 [1,0,0,0,0,0|3,0,0]=4 650 B11R1.37 [13CH3]Oc1ccc(cc1C#N)Br 7a_100000687585_200025704644 [1,0,0,0,0,0|3,0,0]=4 651 B11R1.37 [13CH3]Oc1ccc(cc1C#N)Cl 34a_100011219380_200025704644 [1,0,0,0,0,0|3,0,0]=4 652 B11R1.37 [13CH3]Oc1ccc(cc1C#N)Cl 7a_100011219380_200025704644 [1,0,0,0,0,0|3,0,0]=4 653 B11R1.37 [13CH3]Oc1ccc(cc1C#N)F 34a_100011900173_200025704644 [1,0,0,0,0,0|3,0,0]=4 654 B11R1.37 [13CH3]Oc1ccc(cc1C#N)F 7a_100011900173_200025704644 [1,0,0,0,0,0|3,0,0]=4 655 B11R1.37 [13CH3]Oc1ccc(cc1C#N)I 34a_200000049958_200025704644 [1,0,0,0,0,0|3,0,0]=4 656 B11R1.37 [13CH3]Oc1ccc(cc1C#N)I 7a_200000049958_200025704644 [1,0,0,0,0,0|3,0,0]=4 657 B11R1.37 [13CH3]Oc1ccc(cc1C#N)N 34a_100011249283_200025704644 [1,0,0,0,0,0|3,0,0]=4 658 B11R1.37 [13CH3]Oc1ccc(cc1C#N)N 7a_100011249283_200025704644 [1,0,0,0,0,0|3,0,0]=4 659 B11R1.37 [13CH3]Oc1ccc(cc1CBr)F 34a_100010161318_200025704644 [1,0,0,0,0,0|3,0,0]=4 660 B11R1.37 [13CH3]Oc1ccc(cc1CBr)F 7a_100010161318_200025704644 [1,0,0,0,0,0|3,0,0]=4 661 B11R1.37 [13CH3]Oc1ccc(cc1CN)Br 34a_100000730032_200025704644 [1,0,0,0,0,0|3,0,0]=4 662 B11R1.37 [13CH3]Oc1ccc(cc1CN)Cl 34a_100000238540_200025704644 [1,0,0,0,0,0|3,0,0]=4 663 B11R1.37 [13CH3]Oc1ccc(cc1CO)Br 34a_100000184703_200025704644 [1,0,0,0,0,0|3,0,0]=4 664 B11R1.37 [13CH3]Oc1ccc(cc1CO)Br 7a_100000184703_200025704644 [1,0,0,0,0,0|3,0,0]=4 665 B11R1.37 [13CH3]Oc1ccc(cc1CO)Cl 34a_100011218961_200025704644 [1,0,0,0,0,0|3,0,0]=4 666 B11R1.37 [13CH3]Oc1ccc(cc1CO)Cl 7a_100011218961_200025704644 [1,0,0,0,0,0|3,0,0]=4 667 B11R1.37 [13CH3]Oc1ccc(cc1CO)F 34a_100011291448_200025704644 [1,0,0,0,0,0|3,0,0]=4 668 B11R1.37 [13CH3]Oc1ccc(cc1CO)F 7a_100011291448_200025704644 [1,0,0,0,0,0|3,0,0]=4 669 B11R1.37 [13CH3]Oc1ccc(cc1CO)I 34a_100000049520_200025704644 [1,0,0,0,0,0|3,0,0]=4 670 B11R1.37 [13CH3]Oc1ccc(cc1CO)I 7a_100000049520_200025704644 [1,0,0,0,0,0|3,0,0]=4 671 B11R1.279 C=Cc1cc(c(cn1)OC)N 271570a_100011290941_100010896307 [1,0,0,0,0,0|3,0,0]=4 672 B11R1.279 C=Cc1cc(c(cn1)OC)O 271570a_100011290941_100010264082 [1,0,0,0,0,0|2,0,0]=3 673 B11R1.279 C=Cc1cc(c(nn1)OC)C 271570a_100011290941_100010272851 [1,0,0,0,0,0|3,0,0]=4 674 B11R1.279 C=Cc1ccc(c(c1)Br)OC 271570a_100011290941_100011249507 [1,0,0,0,0,0|2,0,0]=3 675 B11R1.279 C=Cc1ccc(c(c1)C)C#N 271570a_100011290941_100000687762 [1,0,0,0,0,0|3,0,0]=4 676 B11R1.279 C=Cc1ccc(c(c1)C)C=O 271570a_100011290941_100000687586 [1,0,0,0,0,0|3,0,0]=4 677 B11R1.279 C=Cc1ccc(c(c1)C)CF 271570a_100011290941_200010711859 [1,0,0,0,0,0|3,0,0]=4 678 B11R1.279 C=Cc1ccc(c(c1)C)CN 271570a_100011290941_100000753881 [1,0,0,0,0,0|3,0,0]=4 679 B11R1.279 C=Cc1ccc(c(c1)C)CO 271570a_100011290941_100000748258 [1,0,0,0,0,0|3,0,0]=4 680 B11R1.279 C=Cc1ccc(c(c1)C)NC 271570a_100011290941_100000221803 [1,0,0,0,0,0|2,0,0]=3 681 B11R1.279 C=Cc1ccc(c(c1)C)NN 271570a_100011290941_100000751375 [1,0,0,0,0,0|3,0,0]=4 682 B11R1.279 C=Cc1ccc(c(c1)C)OC 271570a_100011290941_100011219705 [1,0,0,0,0,0|1,0,0]=2 683 B11R1.279 C=Cc1ccc(c(c1)Cl)OC 271570a_100011290941_100012355395 [1,0,0,0,0,0|2,0,0]=3 684 B11R1.279 C=Cc1ccc(c(c1)Cl)SC 271570a_100011290941_206447510565 [1,0,0,0,0,0|2,1,0]=4 685 B11R1.279 C=Cc1ccc(c(c1)F)CC 271570a_100011290941_200010071577 [1,0,0,0,0,0|3,0,0]=4 686 B11R1.279 C=Cc1ccc(c(c1)F)NC 271570a_100011290941_100000743884 [1,0,0,0,0,0|3,0,0]=4 687 B11R1.279 C=Cc1ccc(c(c1)F)OC 271570a_100011290941_100000185480 [1,0,0,0,0,0|2,0,0]=3 688 B11R1.279 C=Cc1ccc(c(c1)F)SC 271570a_100011290941_100010161220 [1,0,0,0,0,0|2,1,0]=4 689 B11R1.279 C=Cc1ccc(c(c1)N)CC 271570a_100011290941_100012354963 [1,0,0,0,0,0|3,0,0]=4 690 B11R1.279 C=Cc1ccc(c(c1)N)NC 271570a_100011290941_100000741790 [1,0,0,0,0,0|3,0,0]=4 691 B11R1.279 C=Cc1ccc(c(c1)N)OC 271570a_100011290941_100000743470 [1,0,0,0,0,0|2,0,0]=3 692 B11R1.279 C=Cc1ccc(c(c1)O)C#N 271570a_100011290941_100011934713 [1,0,0,0,0,0|3,0,0]=4 693 B11R1.279 C=Cc1ccc(c(c1)O)C=O 271570a_100011290941_100011277552 [1,0,0,0,0,0|3,0,0]=4 694 B11R1.279 C=Cc1ccc(c(c1)O)CO 271570a_100011290941_100000071718 [1,0,0,0,0,0|3,0,0]=4 695 B11R1.279 C=Cc1ccc(c(c1)O)OC 271570a_100011290941_100009816560 [1,0,0,0,0,0|1,0,0]=2 696 B11R1.279 C=Cc1ccc(c(n1)Br)OC 271570a_100011290941_100010214827 [1,0,0,0,0,0|3,0,0]=4 697 B11R1.279 C=Cc1ccc(c(n1)C)OC 271570a_100011290941_100010244750 [1,0,0,0,0,0|2,0,0]=3 698 B11R1.279 C=Cc1ccc(c(n1)Cl)OC 271570a_100011290941_100010233546 [1,0,0,0,0,0|3,0,0]=4 699 B11R1.279 C=Cc1ccc(c(n1)F)OC 271570a_100011290941_100010138636 [1,0,0,0,0,0|3,0,0]=4 700 B11R1.279 C=Cc1ccc(c(n1)N)OC 271570a_100011290941_100010192976 [1,0,0,0,0,0|3,0,0]=4 701 B11R1.279 C=Cc1ccc(cc1C)C=O 271570a_100011290941_100000765772 [1,0,0,0,0,0|1,0,1]=3 702 B11R1.279 C=Cc1ccc(cc1F)C=O 271570a_100011290941_100000686674 [1,0,0,0,0,0|2,0,1]=4 703 B11R1.279 C=Cc1ccc(cc1O)C=O 271570a_100011290941_100000041418 [1,0,0,0,0,0|1,0,1]=3 704 B11R1.279 C=Cc1ccc(nc1C)C=O 271570a_100011290941_100010238520 [1,0,0,0,0,0|2,0,1]=4 705 B11R1.279 C=Cc1cnc(c(c1)Br)OC 271570a_100011290941_200010988584 [1,0,0,0,0,0|3,0,0]=4 706 B11R1.279 C=Cc1cnc(c(c1)C)NC 271570a_100011290941_100012357622 [1,0,0,0,0,0|3,0,0]=4 707 B11R1.279 C=Cc1cnc(c(c1)C)OC 271570a_100011290941_100011290809 [1,0,0,0,0,0|2,0,0]=3 708 B11R1.279 C=Cc1cnc(c(c1)F)OC 271570a_100011290941_100011880707 [1,0,0,0,0,0|3,0,0]=4 709 B11R1.279 C=Cc1cnc(c(c1)N)OC 271570a_100011290941_100000748608 [1,0,0,0,0,0|3,0,0]=4 710 B11R1.279 C=Cc1cnc(c(c1)O)OC 271570a_100011290941_100010135713 [1,0,0,0,0,0|2,0,0]=3 711 B11R1.279 C=Cc1cnc(cc1C)C=O 271570a_100011290941_100009814806 [1,0,0,0,0,0|2,0,1]=4 712 B11R1.279 C=Cc1ncc(c(n1)C)OC 271570a_100011290941_100010382893 [1,0,0,0,0,0|3,0,0]=4 713 B11R1.279 C=Cc1ncc(cc1C)C=O 271570a_100011290941_100000070293 [1,0,0,0,0,0|2,0,1]=4 714 B11R1.279 CCc1ccc(c(c1)Br)OC 34a_100012339963_200000210301 [1,0,0,0,0,0|2,0,1]=4 715 B11R1.279 CCc1ccc(c(c1)Br)OC 7a_100012339963_200000210301 [1,0,0,0,0,0|2,0,1]=4 716 B11R1.279 CCc1ccc(c(c1)Br)O[13CH3] 34a_100012339963_200025704644 [1,0,0,0,0,0|2,0,1]=4 717 B11R1.279 CCc1ccc(c(c1)Br)O[13CH3] 7a_100012339963_200025704644 [1,0,0,0,0,0|2,0,1]=4 718 B11R1.279 CCc1ccc(c(c1)C)NC 2230a_100011226020_200000210301 [1,0,0,0,0,0|2,0,1]=4 719 B11R1.279 CCc1ccc(c(c1)C)NC 34a_100011226020_200000210301 [1,0,0,0,0,0|2,0,1]=4 720 B11R1.279 CCc1ccc(c(c1)C)NC 7a_100011226020_200000210301 [1,0,0,0,0,0|2,0,1]=4 721 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 2230a_100011226020_200025704644 [1,0,0,0,0,0|2,0,1]=4 722 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 34a_100011226020_200025704644 [1,0,0,0,0,0|2,0,1]=4 723 B11R1.279 CCc1ccc(c(c1)C)N[13CH3] 7a_100011226020_200025704644 [1,0,0,0,0,0|2,0,1]=4 724 B11R1.279 CCc1ccc(c(c1)N)OC 34a_100000765835_200000210301 [1,0,0,0,0,0|2,0,1]=4 725 B11R1.279 CCc1ccc(c(c1)N)OC 7a_100000765835_200000210301 [1,0,0,0,0,0|2,0,1]=4 726 B11R1.279 CCc1ccc(c(c1)N)O[13CH3] 34a_100000765835_200025704644 [1,0,0,0,0,0|2,0,1]=4 727 B11R1.279 CCc1ccc(c(c1)N)O[13CH3] 7a_100000765835_200025704644 [1,0,0,0,0,0|2,0,1]=4 728 B11R1.279 CCc1ccc(c(c1)O)NC 34a_100000124328_200000210301 [1,0,0,0,0,0|2,0,1]=4 729 B11R1.279 CCc1ccc(c(c1)O)N[13CH3] 34a_100000124328_200025704644 [1,0,0,0,0,0|2,0,1]=4 730 B11R1.279 CCc1ccc(c(c1)O)OC 271570a_203496583355_100010062400 [1,0,0,0,0,0|1,0,1]=3 731 B11R1.279 CNc1ccc(c(c1)Br)OC 34a_100000187427_200000210301 [1,0,0,0,0,0|3,0,0]=4 732 B11R1.279 CNc1ccc(c(c1)C)OC 2230a_100000743268_200000210301 [1,0,0,0,0,0|2,0,0]=3 733 B11R1.279 CNc1ccc(c(c1)C)OC 34a_100000743268_200000210301 [1,0,0,0,0,0|2,0,0]=3 734 B11R1.279 CNc1ccc(c(c1)C)OC 7a_100000743268_200000210301 [1,0,0,0,0,0|2,0,0]=3 735 B11R1.279 CNc1ccc(c(c1)C)SC 62a_100102888905_200000210301 [1,0,0,0,0,0|2,1,0]=4 736 B11R1.279 CNc1ccc(c(c1)C)SC 62a_200000210301_100102888905 [1,0,0,0,0,0|2,1,0]=4 737 B11R1.279 CNc1ccc(c(c1)C)S[13CH3] 62a_100102888905_200025704644 [1,0,0,0,0,0|2,1,0]=4 738 B11R1.279 CNc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100102888905 [1,0,0,0,0,0|2,1,0]=4 739 B11R1.279 CNc1ccc(c(c1)Cl)OC 2230a_100000211044_200000210301 [1,0,0,0,0,0|3,0,0]=4 740 B11R1.279 CNc1ccc(c(c1)Cl)OC 34a_100000211044_200000210301 [1,0,0,0,0,0|3,0,0]=4 741 B11R1.279 CNc1ccc(c(c1)F)OC 2230a_100000740183_200000210301 [1,0,0,0,0,0|3,0,0]=4 742 B11R1.279 CNc1ccc(c(c1)F)OC 34a_100000740183_200000210301 [1,0,0,0,0,0|3,0,0]=4 743 B11R1.279 CNc1ccc(c(c1)I)OC 34a_100011356947_200000210301 [1,0,0,0,0,0|3,0,0]=4 744 B11R1.279 CNc1ccc(c(c1)O)OC 271570a_203496583355_114948341033 [1,0,0,0,0,0|2,0,0]=3 745 B11R1.279 CNc1ccc(c(c1)O)OC 34a_100000211920_200000210301 [1,0,0,0,0,0|2,0,0]=3 746 B11R1.279 CNc1ccc(cc1C)C#N 34a_100011216260_200000210301 [1,0,0,0,0,0|2,0,1]=4 747 B11R1.279 CNc1ccc(cc1C)C#N 7a_100011216260_200000210301 [1,0,0,0,0,0|2,0,1]=4 748 B11R1.279 CNc1ccc(cc1C)CO 2230a_200011997030_200000210301 [1,0,0,0,0,0|1,0,2]=4 749 B11R1.279 CNc1ccc(cc1C)CO 34a_200011997030_200000210301 [1,0,0,0,0,0|1,0,2]=4 750 B11R1.279 CNc1ccc(cc1C)OC 34a_100000750285_200000210301 [1,0,0,0,0,0|3,0,0]=4 751 B11R1.279 CNc1ccc(cc1C)OC 34a_100161107805_200000210301 [1,0,0,0,0,0|3,0,0]=4 752 B11R1.279 CNc1ccc(cc1C)OC 7a_100161107805_200000210301 [1,0,0,0,0,0|3,0,0]=4 753 B11R1.279 CNc1ccc(cc1C)O[13CH3] 34a_100161107805_200025704644 [1,0,0,0,0,0|3,0,0]=4 754 B11R1.279 CNc1ccc(cc1C)O[13CH3] 7a_100161107805_200025704644 [1,0,0,0,0,0|3,0,0]=4 755 B11R1.279 CNc1ccc(cc1C)SC 62a_100000221803_200000210301 [1,0,0,0,0,0|3,0,0]=4 756 B11R1.279 CNc1ccc(cc1C)SC 62a_200000210301_100000221803 [1,0,0,0,0,0|3,0,0]=4 757 B11R1.279 CNc1ccc(cc1C)S[13CH3] 62a_100000221803_200025704644 [1,0,0,0,0,0|3,0,0]=4 758 B11R1.279 CNc1ccc(cc1C)S[13CH3] 62a_200025704644_100000221803 [1,0,0,0,0,0|3,0,0]=4 759 B11R1.279 CNc1ccc(cc1O)C#N 271570a_203496583355_200020994358 [1,0,0,0,0,0|2,0,1]=4 760 B11R1.279 CNc1ccc(cc1O)C#N 34a_100011997735_200000210301 [1,0,0,0,0,0|2,0,1]=4 761 B11R1.279 CNc1ccc(cc1O)C=O 271570a_203496583355_200010290468 [1,0,0,0,0,0|1,0,0]=2 762 B11R1.279 CNc1ccc(cc1O)OC 34a_100016989039_200000210301 [1,0,0,0,0,0|3,0,0]=4 763 B11R1.279 COc1ccc(c(c1)Br)OC 34a_100000685887_200000210301 [1,0,0,0,0,0|3,0,0]=4 764 B11R1.279 COc1ccc(c(c1)Br)OC 34a_100010234764_200000210301 [1,0,0,0,0,0|3,0,0]=4 765 B11R1.279 COc1ccc(c(c1)Br)OC 7a_100000685887_200000210301 [1,0,0,0,0,0|3,0,0]=4 766 B11R1.279 COc1ccc(c(c1)Br)OC 7a_100010234764_200000210301 [1,0,0,0,0,0|3,0,0]=4 767 B11R1.279 COc1ccc(c(c1)Br)O[13CH3] 34a_100000685887_200025704644 [1,0,0,0,0,0|3,0,0]=4 768 B11R1.279 COc1ccc(c(c1)Br)O[13CH3] 7a_100000685887_200025704644 [1,0,0,0,0,0|3,0,0]=4 769 B11R1.279 COc1ccc(c(c1)C)N[13CH3] 34a_100000750285_200025704644 [1,0,0,0,0,0|3,0,0]=4 770 B11R1.279 COc1ccc(c(c1)C)OC 34a_100000759738_200000210301 [1,0,0,0,0,0|2,0,0]=3 771 B11R1.279 COc1ccc(c(c1)C)OC 34a_100012002223_200000210301 [1,0,0,0,0,0|2,0,0]=3 772 B11R1.279 COc1ccc(c(c1)C)OC 7a_100000759738_200000210301 [1,0,0,0,0,0|2,0,0]=3 773 B11R1.279 COc1ccc(c(c1)C)OC 7a_100012002223_200000210301 [1,0,0,0,0,0|2,0,0]=3 774 B11R1.279 COc1ccc(c(c1)C)O[13CH3] 34a_100012002223_200025704644 [1,0,0,0,0,0|2,0,0]=3 775 B11R1.279 COc1ccc(c(c1)C)O[13CH3] 7a_100012002223_200025704644 [1,0,0,0,0,0|2,0,0]=3 776 B11R1.279 COc1ccc(c(c1)C)SC 34a_100000030144_200000210301 [1,0,0,0,0,0|2,1,0]=4 777 B11R1.279 COc1ccc(c(c1)C)SC 62a_100000759875_200000210301 [1,0,0,0,0,0|2,1,0]=4 778 B11R1.279 COc1ccc(c(c1)C)SC 62a_200000210301_100000759875 [1,0,0,0,0,0|2,1,0]=4 779 B11R1.279 COc1ccc(c(c1)C)S[13CH3] 62a_100000759875_200025704644 [1,0,0,0,0,0|2,1,0]=4 780 B11R1.279 COc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100000759875 [1,0,0,0,0,0|2,1,0]=4 781 B11R1.279 COc1ccc(c(c1)Cl)OC 34a_100000038596_200000210301 [1,0,0,0,0,0|3,0,0]=4 782 B11R1.279 COc1ccc(c(c1)Cl)OC 34a_200009861682_200000210301 [1,0,0,0,0,0|3,0,0]=4 783 B11R1.279 COc1ccc(c(c1)Cl)OC 7a_100000038596_200000210301 [1,0,0,0,0,0|3,0,0]=4 784 B11R1.279 COc1ccc(c(c1)Cl)OC 7a_200009861682_200000210301 [1,0,0,0,0,0|3,0,0]=4 785 B11R1.279 COc1ccc(c(c1)Cl)O[13CH3] 34a_100000038596_200025704644 [1,0,0,0,0,0|3,0,0]=4 786 B11R1.279 COc1ccc(c(c1)Cl)O[13CH3] 7a_100000038596_200025704644 [1,0,0,0,0,0|3,0,0]=4 787 B11R1.279 COc1ccc(c(c1)F)OC 34a_100000036999_200000210301 [1,0,0,0,0,0|3,0,0]=4 788 B11R1.279 COc1ccc(c(c1)F)OC 34a_100000746305_200000210301 [1,0,0,0,0,0|3,0,0]=4 789 B11R1.279 COc1ccc(c(c1)F)OC 7a_100000036999_200000210301 [1,0,0,0,0,0|3,0,0]=4 790 B11R1.279 COc1ccc(c(c1)F)OC 7a_100000746305_200000210301 [1,0,0,0,0,0|3,0,0]=4 791 B11R1.279 COc1ccc(c(c1)F)O[13CH3] 34a_100000036999_200025704644 [1,0,0,0,0,0|3,0,0]=4 792 B11R1.279 COc1ccc(c(c1)F)O[13CH3] 7a_100000036999_200025704644 [1,0,0,0,0,0|3,0,0]=4 793 B11R1.279 COc1ccc(c(c1)I)OC 34a_100010084122_200000210301 [1,0,0,0,0,0|3,0,0]=4 794 B11R1.279 COc1ccc(c(c1)I)OC 7a_100010084122_200000210301 [1,0,0,0,0,0|3,0,0]=4 795 B11R1.279 COc1ccc(c(c1)N)OC 34a_100000188146_200000210301 [1,0,0,0,0,0|3,0,0]=4 796 B11R1.279 COc1ccc(c(c1)N)O[13CH3] 34a_100000188146_200025704644 [1,0,0,0,0,0|3,0,0]=4 797 B11R1.279 COc1ccc(c(c1)O)N[13CH3] 34a_100016989039_200025704644 [1,0,0,0,0,0|3,0,0]=4 798 B11R1.279 COc1ccc(c(c1)O)OC 271570a_203496583355_100011215452 [1,0,0,0,0,0|2,0,0]=3 799 B11R1.279 COc1ccc(c(c1)O)SC 62a_200000210301_100000719091 [1,0,0,0,0,0|2,1,0]=4 800 B11R1.279 COc1ccc(c(c1)O)S[13CH3] 62a_200025704644_100000719091 [1,0,0,0,0,0|2,1,0]=4 801 B11R1.279 COc1ccc(c(n1)C)OC 34a_200009873766_200000210301 [1,0,0,0,0,0|3,0,0]=4 802 B11R1.279 COc1ccc(c(n1)C)O[13CH3] 34a_200009873766_200025704644 [1,0,0,0,0,0|3,0,0]=4 803 B11R1.279 COc1ccc(cc1Br)C#N 34a_100011216086_200000210301 [1,0,0,0,0,0|2,0,1]=4 804 B11R1.279 COc1ccc(cc1Br)C#N 7a_100011216086_200000210301 [1,0,0,0,0,0|2,0,1]=4 805 B11R1.279 COc1ccc(cc1Br)CO 34a_100011191544_200000210301 [1,0,0,0,0,0|1,0,2]=4 806 B11R1.279 COc1ccc(cc1Br)CO 7a_100011191544_200000210301 [1,0,0,0,0,0|1,0,2]=4 807 B11R1.279 COc1ccc(cc1Br)N[13CH3] 34a_100000187427_200025704644 [1,0,0,0,0,0|3,0,0]=4 808 B11R1.279 COc1ccc(cc1Br)O[13CH3] 34a_100010234764_200025704644 [1,0,0,0,0,0|3,0,0]=4 809 B11R1.279 COc1ccc(cc1Br)O[13CH3] 7a_100010234764_200025704644 [1,0,0,0,0,0|3,0,0]=4 810 B11R1.279 COc1ccc(cc1Br)SC 62a_100011249507_200000210301 [1,0,0,0,0,0|3,0,0]=4 811 B11R1.279 COc1ccc(cc1Br)SC 62a_200000210301_100011249507 [1,0,0,0,0,0|3,0,0]=4 812 B11R1.279 COc1ccc(cc1Br)S[13CH3] 62a_100011249507_200025704644 [1,0,0,0,0,0|3,0,0]=4 813 B11R1.279 COc1ccc(cc1Br)S[13CH3] 62a_200025704644_100011249507 [1,0,0,0,0,0|3,0,0]=4 814 B11R1.279 COc1ccc(cc1C)C#N 34a_100000749339_200000210301 [1,0,0,0,0,0|1,0,1]=3 815 B11R1.279 COc1ccc(cc1C)C#N 7a_100000749339_200000210301 [1,0,0,0,0,0|1,0,1]=3 816 B11R1.279 COc1ccc(cc1C)CO 34a_100000075815_200000210301 [1,0,0,0,0,0|0,0,2]=3 817 B11R1.279 COc1ccc(cc1C)CO 7a_100000075815_200000210301 [1,0,0,0,0,0|0,0,2]=3 818 B11R1.279 COc1ccc(cc1C)N[13CH3] 2230a_100000743268_200025704644 [1,0,0,0,0,0|2,0,0]=3 819 B11R1.279 COc1ccc(cc1C)N[13CH3] 34a_100000743268_200025704644 [1,0,0,0,0,0|2,0,0]=3 820 B11R1.279 COc1ccc(cc1C)N[13CH3] 7a_100000743268_200025704644 [1,0,0,0,0,0|2,0,0]=3 821 B11R1.279 COc1ccc(cc1C)O[13CH3] 34a_100000759738_200025704644 [1,0,0,0,0,0|2,0,0]=3 822 B11R1.279 COc1ccc(cc1C)O[13CH3] 7a_100000759738_200025704644 [1,0,0,0,0,0|2,0,0]=3 823 B11R1.279 COc1ccc(cc1C)SC 62a_100011219705_200000210301 [1,0,0,0,0,0|2,0,0]=3 824 B11R1.279 COc1ccc(cc1C)SC 62a_200000210301_100011219705 [1,0,0,0,0,0|2,0,0]=3 825 B11R1.279 COc1ccc(cc1C)S[13CH3] 62a_100011219705_200025704644 [1,0,0,0,0,0|2,0,0]=3 826 B11R1.279 COc1ccc(cc1C)S[13CH3] 62a_200025704644_100011219705 [1,0,0,0,0,0|2,0,0]=3 827 B11R1.279 COc1ccc(cc1Cl)C#N 34a_100000205955_200000210301 [1,0,0,0,0,0|2,0,1]=4 828 B11R1.279 COc1ccc(cc1Cl)C#N 7a_100000205955_200000210301 [1,0,0,0,0,0|2,0,1]=4 829 B11R1.279 COc1ccc(cc1Cl)N[13CH3] 2230a_100000211044_200025704644 [1,0,0,0,0,0|3,0,0]=4 830 B11R1.279 COc1ccc(cc1Cl)N[13CH3] 34a_100000211044_200025704644 [1,0,0,0,0,0|3,0,0]=4 831 B11R1.279 COc1ccc(cc1Cl)O[13CH3] 34a_200009861682_200025704644 [1,0,0,0,0,0|3,0,0]=4 832 B11R1.279 COc1ccc(cc1Cl)O[13CH3] 7a_200009861682_200025704644 [1,0,0,0,0,0|3,0,0]=4 833 B11R1.279 COc1ccc(cc1Cl)SC 62a_100012355395_200000210301 [1,0,0,0,0,0|3,0,0]=4 834 B11R1.279 COc1ccc(cc1Cl)SC 62a_200000210301_100012355395 [1,0,0,0,0,0|3,0,0]=4 835 B11R1.279 COc1ccc(cc1Cl)S[13CH3] 62a_100012355395_200025704644 [1,0,0,0,0,0|3,0,0]=4 836 B11R1.279 COc1ccc(cc1Cl)S[13CH3] 62a_200025704644_100012355395 [1,0,0,0,0,0|3,0,0]=4 837 B11R1.279 COc1ccc(cc1F)C#N 34a_100000751310_200000210301 [1,0,0,0,0,0|2,0,1]=4 838 B11R1.279 COc1ccc(cc1F)C#N 7a_100000751310_200000210301 [1,0,0,0,0,0|2,0,1]=4 839 B11R1.279 COc1ccc(cc1F)CN 34a_100000758358_200000210301 [1,0,0,0,0,0|2,0,1]=4 840 B11R1.279 COc1ccc(cc1F)N[13CH3] 2230a_100000740183_200025704644 [1,0,0,0,0,0|3,0,0]=4 841 B11R1.279 COc1ccc(cc1F)N[13CH3] 34a_100000740183_200025704644 [1,0,0,0,0,0|3,0,0]=4 842 B11R1.279 COc1ccc(cc1F)O[13CH3] 34a_100000746305_200025704644 [1,0,0,0,0,0|3,0,0]=4 843 B11R1.279 COc1ccc(cc1F)O[13CH3] 7a_100000746305_200025704644 [1,0,0,0,0,0|3,0,0]=4 844 B11R1.279 COc1ccc(cc1F)SC 62a_100000171752_200000210301 [1,0,0,0,0,0|3,0,0]=4 845 B11R1.279 COc1ccc(cc1F)SC 62a_200000210301_100000171752 [1,0,0,0,0,0|3,0,0]=4 846 B11R1.279 COc1ccc(cc1F)S[13CH3] 62a_100000171752_200025704644 [1,0,0,0,0,0|3,0,0]=4 847 B11R1.279 COc1ccc(cc1F)S[13CH3] 62a_200025704644_100000171752 [1,0,0,0,0,0|3,0,0]=4 848 B11R1.279 COc1ccc(cc1I)C#N 34a_100000725478_200000210301 [1,0,0,0,0,0|2,0,1]=4 849 B11R1.279 COc1ccc(cc1I)C#N 7a_100000725478_200000210301 [1,0,0,0,0,0|2,0,1]=4 850 B11R1.279 COc1ccc(cc1I)N[13CH3] 34a_100011356947_200025704644 [1,0,0,0,0,0|3,0,0]=4 851 B11R1.279 COc1ccc(cc1I)O[13CH3] 34a_100010084122_200025704644 [1,0,0,0,0,0|3,0,0]=4 852 B11R1.279 COc1ccc(cc1I)O[13CH3] 7a_100010084122_200025704644 [1,0,0,0,0,0|3,0,0]=4 853 B11R1.279 COc1ccc(cc1N)C#N 34a_100000766272_200000210301 [1,0,0,0,0,0|2,0,1]=4 854 B11R1.279 COc1ccc(cc1N)C#N 7a_100000766272_200000210301 [1,0,0,0,0,0|2,0,1]=4 855 B11R1.279 COc1ccc(cc1N)CO 34a_100000123545_200000210301 [1,0,0,0,0,0|1,0,2]=4 856 B11R1.279 COc1ccc(cc1N)SC 62a_100011249504_200000210301 [1,0,0,0,0,0|3,0,0]=4 857 B11R1.279 COc1ccc(cc1N)SC 62a_200000210301_100011249504 [1,0,0,0,0,0|3,0,0]=4 858 B11R1.279 COc1ccc(cc1N)S[13CH3] 62a_100011249504_200025704644 [1,0,0,0,0,0|3,0,0]=4 859 B11R1.279 COc1ccc(cc1N)S[13CH3] 62a_200025704644_100011249504 [1,0,0,0,0,0|3,0,0]=4 860 B11R1.279 COc1ccc(cc1O)C#N 271570a_203496583355_100000188253 [1,0,0,0,0,0|1,0,1]=3 861 B11R1.279 COc1ccc(cc1O)C=O 271570a_203496583355_100000173361 [1,0,0,0,0,0|0,0,0]=1 862 B11R1.279 COc1ccc(cc1O)CN 271570a_203496583355_100159240714 [1,0,0,0,0,0|1,0,1]=3 863 B11R1.279 COc1ccc(cc1O)CO 271570a_203496583355_100000246451 [1,0,0,0,0,0|0,0,2]=3 864 B11R1.279 COc1ccc(cc1O)N[13CH3] 34a_100000211920_200025704644 [1,0,0,0,0,0|2,0,0]=3 865 B11R1.279 COc1ccc(cc1O)SC 62a_200000210301_100009816560 [1,0,0,0,0,0|2,0,0]=3 866 B11R1.279 COc1ccc(cc1O)S[13CH3] 62a_200025704644_100009816560 [1,0,0,0,0,0|2,0,0]=3 867 B11R1.279 COc1ccc(nc1C)SC 62a_100010244750_200000210301 [1,0,0,0,0,0|3,0,0]=4 868 B11R1.279 COc1ccc(nc1C)SC 62a_200000210301_100010244750 [1,0,0,0,0,0|3,0,0]=4 869 B11R1.279 COc1ccc(nc1C)S[13CH3] 62a_100010244750_200025704644 [1,0,0,0,0,0|3,0,0]=4 870 B11R1.279 COc1ccc(nc1C)S[13CH3] 62a_200025704644_100010244750 [1,0,0,0,0,0|3,0,0]=4 871 B11R1.279 COc1ccc(nc1O)C=O 271570a_203496583355_100010174741 [1,0,0,0,0,0|1,0,0]=2 872 B11R1.279 COc1ccc(nc1O)CO 271570a_203496583355_100009842956 [1,0,0,0,0,0|1,0,2]=4 873 B11R1.279 COc1cnc(cc1O)C=O 271570a_203496583355_100010893078 [1,0,0,0,0,0|1,0,0]=2 874 B11R1.279 COc1cnc(cc1O)SC 62a_200000210301_100010264082 [1,0,0,0,0,0|3,0,0]=4 875 B11R1.279 COc1cnc(cc1O)S[13CH3] 62a_200025704644_100010264082 [1,0,0,0,0,0|3,0,0]=4 876 B11R1.279 COc1ncc(cc1C)SC 62a_100011290809_200000210301 [1,0,0,0,0,0|3,0,0]=4 877 B11R1.279 COc1ncc(cc1C)SC 62a_200000210301_100011290809 [1,0,0,0,0,0|3,0,0]=4 878 B11R1.279 COc1ncc(cc1C)S[13CH3] 62a_100011290809_200025704644 [1,0,0,0,0,0|3,0,0]=4 879 B11R1.279 COc1ncc(cc1C)S[13CH3] 62a_200025704644_100011290809 [1,0,0,0,0,0|3,0,0]=4 880 B11R1.279 COc1ncc(cc1O)C=O 271570a_203496583355_200010064893 [1,0,0,0,0,0|1,0,0]=2 881 B11R1.279 COc1ncc(cc1O)SC 62a_200000210301_100010135713 [1,0,0,0,0,0|3,0,0]=4 882 B11R1.279 COc1ncc(cc1O)S[13CH3] 62a_200025704644_100010135713 [1,0,0,0,0,0|3,0,0]=4 883 B11R1.279 CSc1ccc(cc1C)C#N 62a_200000210301_100000212329 [1,0,0,0,0,0|1,1,1]=4 884 B11R1.279 CSc1ccc(cc1C)C=O 62a_100000765772_200000210301 [1,0,0,0,0,0|0,1,0]=2 885 B11R1.279 CSc1ccc(cc1C)C=O 62a_200000210301_100000765772 [1,0,0,0,0,0|0,1,0]=2 886 B11R1.279 CSc1ccc(cc1C)CN 62a_100015205234_200000210301 [1,0,0,0,0,0|1,1,1]=4 887 B11R1.279 CSc1ccc(cc1C)CN 62a_200000210301_100015205234 [1,0,0,0,0,0|1,1,1]=4 888 B11R1.279 CSc1ccc(cc1C)CO 62a_100000718852_200000210301 [1,0,0,0,0,0|0,1,2]=4 889 B11R1.279 CSc1ccc(cc1C)CO 62a_200000210301_100000718852 [1,0,0,0,0,0|0,1,2]=4 890 B11R1.279 CSc1ccc(cc1C)NN 62a_100000745493_200000210301 [1,0,0,0,0,0|2,1,0]=4 891 B11R1.279 CSc1ccc(cc1C)NN 62a_200000210301_100000745493 [1,0,0,0,0,0|2,1,0]=4 892 B11R1.279 CSc1ccc(cc1C)O[13CH3] 34a_100000030144_200025704644 [1,0,0,0,0,0|2,1,0]=4 893 B11R1.279 CSc1ccc(cc1F)C=O 62a_100000686674_200000210301 [1,0,0,0,0,0|1,1,0]=3 894 B11R1.279 CSc1ccc(cc1F)C=O 62a_200000210301_100000686674 [1,0,0,0,0,0|1,1,0]=3 895 B11R1.279 CSc1ccc(cc1O)C#N 62a_200000210301_100009877741 [1,0,0,0,0,0|1,1,1]=4 896 B11R1.279 CSc1ccc(cc1O)C=O 62a_100000041418_200000210301 [1,0,0,0,0,0|0,1,0]=2 897 B11R1.279 CSc1ccc(cc1O)C=O 62a_200000210301_100000041418 [1,0,0,0,0,0|0,1,0]=2 898 B11R1.279 CSc1ccc(cc1O)CO 62a_100000049605_200000210301 [1,0,0,0,0,0|0,1,2]=4 899 B11R1.279 CSc1ccc(cc1O)CO 62a_200000210301_100000049605 [1,0,0,0,0,0|0,1,2]=4 900 B11R1.279 CSc1ccc(nc1C)C=O 62a_100010238520_200000210301 [1,0,0,0,0,0|1,1,0]=3 901 B11R1.279 CSc1ccc(nc1C)C=O 62a_200000210301_100010238520 [1,0,0,0,0,0|1,1,0]=3 902 B11R1.279 CSc1cnc(cc1C)C=O 62a_100009814806_200000210301 [1,0,0,0,0,0|1,1,0]=3 903 B11R1.279 CSc1cnc(cc1C)C=O 62a_200000210301_100009814806 [1,0,0,0,0,0|1,1,0]=3 904 B11R1.279 CSc1ncc(cc1C)C=O 62a_100000070293_200000210301 [1,0,0,0,0,0|1,1,0]=3 905 B11R1.279 CSc1ncc(cc1C)C=O 62a_200000210301_100000070293 [1,0,0,0,0,0|1,1,0]=3 906 B11R1.279 CSc1ncc(cc1F)C=O 62a_100009866847_200000210301 [1,0,0,0,0,0|2,1,0]=4 907 B11R1.279 CSc1ncc(cc1F)C=O 62a_200000210301_100009866847 [1,0,0,0,0,0|2,1,0]=4 908 B11R1.279 Cc1cc(ccc1N[13CH3])C#N 34a_100011216260_200025704644 [1,0,0,0,0,0|2,0,1]=4 909 B11R1.279 Cc1cc(ccc1N[13CH3])C#N 7a_100011216260_200025704644 [1,0,0,0,0,0|2,0,1]=4 910 B11R1.279 Cc1cc(ccc1N[13CH3])CO 2230a_200011997030_200025704644 [1,0,0,0,0,0|1,0,2]=4 911 B11R1.279 Cc1cc(ccc1N[13CH3])CO 34a_200011997030_200025704644 [1,0,0,0,0,0|1,0,2]=4 912 B11R1.279 Cc1cc(ccc1O[13CH3])C#N 34a_100000749339_200025704644 [1,0,0,0,0,0|1,0,1]=3 913 B11R1.279 Cc1cc(ccc1O[13CH3])C#N 7a_100000749339_200025704644 [1,0,0,0,0,0|1,0,1]=3 914 B11R1.279 Cc1cc(ccc1O[13CH3])CO 34a_100000075815_200025704644 [1,0,0,0,0,0|0,0,2]=3 915 B11R1.279 Cc1cc(ccc1O[13CH3])CO 7a_100000075815_200025704644 [1,0,0,0,0,0|0,0,2]=3 916 B11R1.279 Cc1cc(ccc1S[13CH3])C#N 62a_200025704644_100000212329 [1,0,0,0,0,0|1,1,1]=4 917 B11R1.279 Cc1cc(ccc1S[13CH3])C=O 62a_100000765772_200025704644 [1,0,0,0,0,0|0,1,0]=2 918 B11R1.279 Cc1cc(ccc1S[13CH3])C=O 62a_200025704644_100000765772 [1,0,0,0,0,0|0,1,0]=2 919 B11R1.279 Cc1cc(ccc1S[13CH3])CN 62a_100015205234_200025704644 [1,0,0,0,0,0|1,1,1]=4 920 B11R1.279 Cc1cc(ccc1S[13CH3])CN 62a_200025704644_100015205234 [1,0,0,0,0,0|1,1,1]=4 921 B11R1.279 Cc1cc(ccc1S[13CH3])CO 62a_100000718852_200025704644 [1,0,0,0,0,0|0,1,2]=4 922 B11R1.279 Cc1cc(ccc1S[13CH3])CO 62a_200025704644_100000718852 [1,0,0,0,0,0|0,1,2]=4 923 B11R1.279 Cc1cc(ccc1S[13CH3])NN 62a_100000745493_200025704644 [1,0,0,0,0,0|2,1,0]=4 924 B11R1.279 Cc1cc(ccc1S[13CH3])NN 62a_200025704644_100000745493 [1,0,0,0,0,0|2,1,0]=4 925 B11R1.279 Cc1cc(cnc1S[13CH3])C=O 62a_100000070293_200025704644 [1,0,0,0,0,0|1,1,0]=3 926 B11R1.279 Cc1cc(cnc1S[13CH3])C=O 62a_200025704644_100000070293 [1,0,0,0,0,0|1,1,0]=3 927 B11R1.279 Cc1cc(ncc1S[13CH3])C=O 62a_100009814806_200025704644 [1,0,0,0,0,0|1,1,0]=3 928 B11R1.279 Cc1cc(ncc1S[13CH3])C=O 62a_200025704644_100009814806 [1,0,0,0,0,0|1,1,0]=3 929 B11R1.279 Cc1nc(ccc1S[13CH3])C=O 62a_100010238520_200025704644 [1,0,0,0,0,0|1,1,0]=3 930 B11R1.279 Cc1nc(ccc1S[13CH3])C=O 62a_200025704644_100010238520 [1,0,0,0,0,0|1,1,0]=3 931 B11R1.279 N#Cc1ccc(cc1O)C=O 271570a_203496583355_100012355660 [1,0,0,0,0,0|2,0,0]=3 932 B11R1.279 O=Cc1ccc(c(c1)O)C=O 271570a_203496583355_100015597013 [1,0,0,0,0,0|2,0,0]=3 933 B11R1.279 [13CH3]Nc1ccc(cc1O)C#N 34a_100011997735_200025704644 [1,0,0,0,0,0|2,0,1]=4 934 B11R1.279 [13CH3]Oc1ccc(cc1Br)C#N 34a_100011216086_200025704644 [1,0,0,0,0,0|2,0,1]=4 935 B11R1.279 [13CH3]Oc1ccc(cc1Br)C#N 7a_100011216086_200025704644 [1,0,0,0,0,0|2,0,1]=4 936 B11R1.279 [13CH3]Oc1ccc(cc1Br)CO 34a_100011191544_200025704644 [1,0,0,0,0,0|1,0,2]=4 937 B11R1.279 [13CH3]Oc1ccc(cc1Br)CO 7a_100011191544_200025704644 [1,0,0,0,0,0|1,0,2]=4 938 B11R1.279 [13CH3]Oc1ccc(cc1Cl)C#N 34a_100000205955_200025704644 [1,0,0,0,0,0|2,0,1]=4 939 B11R1.279 [13CH3]Oc1ccc(cc1Cl)C#N 7a_100000205955_200025704644 [1,0,0,0,0,0|2,0,1]=4 940 B11R1.279 [13CH3]Oc1ccc(cc1F)C#N 34a_100000751310_200025704644 [1,0,0,0,0,0|2,0,1]=4 941 B11R1.279 [13CH3]Oc1ccc(cc1F)C#N 7a_100000751310_200025704644 [1,0,0,0,0,0|2,0,1]=4 942 B11R1.279 [13CH3]Oc1ccc(cc1F)CN 34a_100000758358_200025704644 [1,0,0,0,0,0|2,0,1]=4 943 B11R1.279 [13CH3]Oc1ccc(cc1I)C#N 34a_100000725478_200025704644 [1,0,0,0,0,0|2,0,1]=4 944 B11R1.279 [13CH3]Oc1ccc(cc1I)C#N 7a_100000725478_200025704644 [1,0,0,0,0,0|2,0,1]=4 945 B11R1.279 [13CH3]Oc1ccc(cc1N)C#N 34a_100000766272_200025704644 [1,0,0,0,0,0|2,0,1]=4 946 B11R1.279 [13CH3]Oc1ccc(cc1N)C#N 7a_100000766272_200025704644 [1,0,0,0,0,0|2,0,1]=4 947 B11R1.279 [13CH3]Oc1ccc(cc1N)CO 34a_100000123545_200025704644 [1,0,0,0,0,0|1,0,2]=4 948 B11R1.279 [13CH3]Sc1ccc(cc1F)C=O 62a_100000686674_200025704644 [1,0,0,0,0,0|1,1,0]=3 949 B11R1.279 [13CH3]Sc1ccc(cc1F)C=O 62a_200025704644_100000686674 [1,0,0,0,0,0|1,1,0]=3 950 B11R1.279 [13CH3]Sc1ccc(cc1O)C#N 62a_200025704644_100009877741 [1,0,0,0,0,0|1,1,1]=4 951 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_100000041418_200025704644 [1,0,0,0,0,0|0,1,0]=2 952 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_200025704644_100000041418 [1,0,0,0,0,0|0,1,0]=2 953 B11R1.279 [13CH3]Sc1ccc(cc1O)CO 62a_100000049605_200025704644 [1,0,0,0,0,0|0,1,2]=4 954 B11R1.279 [13CH3]Sc1ccc(cc1O)CO 62a_200025704644_100000049605 [1,0,0,0,0,0|0,1,2]=4 955 B11R1.279 [13CH3]Sc1ncc(cc1F)C=O 62a_100009866847_200025704644 [1,0,0,0,0,0|2,1,0]=4 956 B11R1.279 [13CH3]Sc1ncc(cc1F)C=O 62a_200025704644_100009866847 [1,0,0,0,0,0|2,1,0]=4 957 B11R1.280 C#Cc1ccc(c(c1)NC)C 2230a_100012022948_200000210301 [1,0,0,0,0,0|2,0,1]=4 958 B11R1.280 C#Cc1ccc(c(c1)NC)C 34a_100012022948_200000210301 [1,0,0,0,0,0|2,0,1]=4 959 B11R1.280 C#Cc1ccc(c(c1)NC)C 7a_100012022948_200000210301 [1,0,0,0,0,0|2,0,1]=4 960 B11R1.280 C#Cc1ccc(c(c1)N[13CH3])C 2230a_100012022948_200025704644 [1,0,0,0,0,0|2,0,1]=4 961 B11R1.280 C#Cc1ccc(c(c1)N[13CH3])C 34a_100012022948_200025704644 [1,0,0,0,0,0|2,0,1]=4 962 B11R1.280 C#Cc1ccc(c(c1)N[13CH3])C 7a_100012022948_200025704644 [1,0,0,0,0,0|2,0,1]=4 963 B11R1.280 C=Cc1c[nH]c(=O)c(c1)OC 271570a_100011290941_100010125397 [1,0,0,0,0,0|2,0,1]=4 964 B11R1.280 C=Cc1cc(c(cn1)C)OC 271570a_100011290941_100010067687 [1,0,0,0,0,0|2,0,0]=3 965 B11R1.280 C=Cc1cc(c(cn1)F)OC 271570a_100011290941_200010136270 [1,0,0,0,0,0|3,0,0]=4 966 B11R1.280 C=Cc1cc(c(cn1)N)OC 271570a_100011290941_100009887741 [1,0,0,0,0,0|3,0,0]=4 967 B11R1.280 C=Cc1cc(ccc1Br)C=O 271570a_100011290941_100010146563 [1,0,0,0,0,0|2,0,1]=4 968 B11R1.280 C=Cc1cc(ccc1C)C=O 271570a_100011290941_100000695567 [1,0,0,0,0,0|1,0,1]=3 969 B11R1.280 C=Cc1cc(ccc1Cl)C=O 271570a_100011290941_100010209939 [1,0,0,0,0,0|2,0,1]=4 970 B11R1.280 C=Cc1cc(ccc1F)C=O 271570a_100011290941_100000211747 [1,0,0,0,0,0|2,0,1]=4 971 B11R1.280 C=Cc1cc(ccc1O)C=O 271570a_100011290941_100000184552 [1,0,0,0,0,0|1,0,1]=3 972 B11R1.280 C=Cc1cc(cnc1O)C=O 271570a_100011290941_100010064886 [1,0,0,0,0,0|2,0,1]=4 973 B11R1.280 C=Cc1cc(ncc1C)C=O 271570a_100011290941_100010174032 [1,0,0,0,0,0|2,0,1]=4 974 B11R1.280 C=Cc1ccc(c(c1)C#N)C 271570a_100011290941_100000698047 [1,0,0,0,0,0|3,0,0]=4 975 B11R1.280 C=Cc1ccc(c(c1)C#N)O 271570a_100011290941_100000687585 [1,0,0,0,0,0|3,0,0]=4 976 B11R1.280 C=Cc1ccc(c(c1)C=O)C 271570a_100011290941_100011361606 [1,0,0,0,0,0|3,0,0]=4 977 B11R1.280 C=Cc1ccc(c(c1)C=O)O 271570a_100011290941_100000186750 [1,0,0,0,0,0|3,0,0]=4 978 B11R1.280 C=Cc1ccc(c(c1)CC)Br 271570a_100011290941_100010244631 [1,0,0,0,0,0|3,0,0]=4 979 B11R1.280 C=Cc1ccc(c(c1)CC)F 271570a_100011290941_100010244625 [1,0,0,0,0,0|3,0,0]=4 980 B11R1.280 C=Cc1ccc(c(c1)CC)N 271570a_100011290941_100000686106 [1,0,0,0,0,0|3,0,0]=4 981 B11R1.280 C=Cc1ccc(c(c1)CC)O 271570a_100011290941_100012338938 [1,0,0,0,0,0|2,0,0]=3 982 B11R1.280 C=Cc1ccc(c(c1)CN)O 271570a_100011290941_100000730032 [1,0,0,0,0,0|3,0,0]=4 983 B11R1.280 C=Cc1ccc(c(c1)CO)C 271570a_100011290941_100000700630 [1,0,0,0,0,0|3,0,0]=4 984 B11R1.280 C=Cc1ccc(c(c1)CO)O 271570a_100011290941_100000184703 [1,0,0,0,0,0|3,0,0]=4 985 B11R1.280 C=Cc1ccc(c(c1)NC)C 271570a_100011290941_100020629602 [1,0,0,0,0,0|2,0,0]=3 986 B11R1.280 C=Cc1ccc(c(c1)NC)F 271570a_100011290941_100011314990 [1,0,0,0,0,0|3,0,0]=4 987 B11R1.280 C=Cc1ccc(c(c1)NC)N 271570a_100011290941_100000694363 [1,0,0,0,0,0|3,0,0]=4 988 B11R1.280 C=Cc1ccc(c(c1)OC)Br 271570a_100011290941_100012353699 [1,0,0,0,0,0|2,0,0]=3 989 B11R1.280 C=Cc1ccc(c(c1)OC)C 271570a_100011290941_100011830276 [1,0,0,0,0,0|1,0,0]=2 990 B11R1.280 C=Cc1ccc(c(c1)OC)Cl 271570a_100011290941_100011356853 [1,0,0,0,0,0|2,0,0]=3 991 B11R1.280 C=Cc1ccc(c(c1)OC)F 271570a_100011290941_100011934186 [1,0,0,0,0,0|2,0,0]=3 992 B11R1.280 C=Cc1ccc(c(c1)OC)N 271570a_100011290941_100011279103 [1,0,0,0,0,0|2,0,0]=3 993 B11R1.280 C=Cc1ccc(c(c1)OC)O 271570a_100011290941_100000694246 [1,0,0,0,0,0|1,0,0]=2 994 B11R1.280 C=Cc1ccc(c(c1)SC)F 271570a_100011290941_100010341305 [1,0,0,0,0,0|2,1,0]=4 995 B11R1.280 C=Cc1ccc(c(n1)OC)N 271570a_100011290941_100000687816 [1,0,0,0,0,0|3,0,0]=4 996 B11R1.280 C=Cc1ccc(c(n1)OC)O 271570a_100011290941_100010893133 [1,0,0,0,0,0|2,0,0]=3 997 B11R1.280 C=Cc1cnc(c(c1)OC)C 271570a_100011290941_100010254219 [1,0,0,0,0,0|2,0,0]=3 998 B11R1.280 C=Cc1cnc(c(c1)OC)F 271570a_100011290941_100010214931 [1,0,0,0,0,0|3,0,0]=4 999 B11R1.280 C=Cc1cnc(c(c1)OC)N 271570a_100011290941_106354213024 [1,0,0,0,0,0|3,0,0]=4 1000 B11R1.280 C=Cc1cnc(c(n1)OC)O 271570a_100011290941_200010365344 [1,0,0,0,0,0|3,0,0]=4 1001 B11R1.280 C=Cc1ncc(c(n1)OC)C 271570a_100011290941_100012500371 [1,0,0,0,0,0|3,0,0]=4 1002 B11R1.280 CCc1cc(ccc1O)C#N 271570a_203496583355_100010115944 [1,0,0,0,0,0|2,0,1]=4 1003 B11R1.280 CCc1cc(ccc1O)OC 271570a_203496583355_100000720562 [1,0,0,0,0,0|3,0,0]=4 1004 B11R1.280 CCc1cc(ccc1O)SC 62a_200000210301_100012338938 [1,0,0,0,0,0|3,0,0]=4 1005 B11R1.280 CCc1cc(ccc1O)S[13CH3] 62a_200025704644_100012338938 [1,0,0,0,0,0|3,0,0]=4 1006 B11R1.280 CCc1ccc(c(c1)NC)C 2230a_200012022522_200000210301 [1,0,0,0,0,0|2,0,1]=4 1007 B11R1.280 CCc1ccc(c(c1)NC)C 34a_200012022522_200000210301 [1,0,0,0,0,0|2,0,1]=4 1008 B11R1.280 CCc1ccc(c(c1)NC)C 7a_200012022522_200000210301 [1,0,0,0,0,0|2,0,1]=4 1009 B11R1.280 CCc1ccc(c(c1)NC)O 34a_100000765835_200000210301 [1,0,0,0,0,0|2,0,1]=4 1010 B11R1.280 CCc1ccc(c(c1)N[13CH3])C 2230a_200012022522_200025704644 [1,0,0,0,0,0|2,0,1]=4 1011 B11R1.280 CCc1ccc(c(c1)N[13CH3])C 34a_200012022522_200025704644 [1,0,0,0,0,0|2,0,1]=4 1012 B11R1.280 CCc1ccc(c(c1)N[13CH3])C 7a_200012022522_200025704644 [1,0,0,0,0,0|2,0,1]=4 1013 B11R1.280 CCc1ccc(c(c1)N[13CH3])O 34a_100000765835_200025704644 [1,0,0,0,0,0|2,0,1]=4 1014 B11R1.280 CCc1ccc(c(c1)OC)N 34a_100000124328_200000210301 [1,0,0,0,0,0|2,0,1]=4 1015 B11R1.280 CCc1ccc(c(c1)OC)N 7a_100000124328_200000210301 [1,0,0,0,0,0|2,0,1]=4 1016 B11R1.280 CCc1ccc(c(c1)OC)O 271570a_203496583355_200010710389 [1,0,0,0,0,0|1,0,1]=3 1017 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 34a_100000124328_200025704644 [1,0,0,0,0,0|2,0,1]=4 1018 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 7a_100000124328_200025704644 [1,0,0,0,0,0|2,0,1]=4 1019 B11R1.280 CCc1ccc(c(c1)SC)O 62a_100012339963_200000210301 [1,0,0,0,0,0|1,1,1]=4 1020 B11R1.280 CCc1ccc(c(c1)SC)O 62a_200000210301_100012339963 [1,0,0,0,0,0|1,1,1]=4 1021 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_100012339963_200025704644 [1,0,0,0,0,0|1,1,1]=4 1022 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_200025704644_100012339963 [1,0,0,0,0,0|1,1,1]=4 1023 B11R1.280 CNc1cc(ccc1C)C#N 34a_100000748024_200000210301 [1,0,0,0,0,0|2,0,1]=4 1024 B11R1.280 CNc1cc(ccc1C)C#N 7a_100000748024_200000210301 [1,0,0,0,0,0|2,0,1]=4 1025 B11R1.280 CNc1cc(ccc1C)CO 2230a_100000758420_200000210301 [1,0,0,0,0,0|1,0,2]=4 1026 B11R1.280 CNc1cc(ccc1C)CO 34a_100000758420_200000210301 [1,0,0,0,0,0|1,0,2]=4 1027 B11R1.280 CNc1cc(ccc1C)OC 2230a_100000760359_200000210301 [1,0,0,0,0,0|3,0,0]=4 1028 B11R1.280 CNc1cc(ccc1C)OC 34a_100000760359_200000210301 [1,0,0,0,0,0|3,0,0]=4 1029 B11R1.280 CNc1cc(ccc1C)SC 62a_100020629602_200000210301 [1,0,0,0,0,0|3,0,0]=4 1030 B11R1.280 CNc1cc(ccc1C)SC 62a_200000210301_100020629602 [1,0,0,0,0,0|3,0,0]=4 1031 B11R1.280 CNc1cc(ccc1C)S[13CH3] 62a_100020629602_200025704644 [1,0,0,0,0,0|3,0,0]=4 1032 B11R1.280 CNc1cc(ccc1C)S[13CH3] 62a_200025704644_100020629602 [1,0,0,0,0,0|3,0,0]=4 1033 B11R1.280 CNc1cc(ccc1O)C#N 34a_100000766272_200000210301 [1,0,0,0,0,0|2,0,1]=4 1034 B11R1.280 CNc1cc(ccc1O)C#N 7a_100000766272_200000210301 [1,0,0,0,0,0|2,0,1]=4 1035 B11R1.280 CNc1cc(ccc1O)CO 34a_100000123545_200000210301 [1,0,0,0,0,0|1,0,2]=4 1036 B11R1.280 CNc1cc(ccc1O)OC 34a_100000188146_200000210301 [1,0,0,0,0,0|3,0,0]=4 1037 B11R1.280 CNc1ccc(c(c1)OC)Br 2230a_100000765947_200000210301 [1,0,0,0,0,0|3,0,0]=4 1038 B11R1.280 CNc1ccc(c(c1)OC)Br 34a_100000765947_200000210301 [1,0,0,0,0,0|3,0,0]=4 1039 B11R1.280 CNc1ccc(c(c1)OC)C 2230a_100011279678_200000210301 [1,0,0,0,0,0|2,0,0]=3 1040 B11R1.280 CNc1ccc(c(c1)OC)C 34a_100011279678_200000210301 [1,0,0,0,0,0|2,0,0]=3 1041 B11R1.280 CNc1ccc(c(c1)OC)Cl 2230a_100000742311_200000210301 [1,0,0,0,0,0|3,0,0]=4 1042 B11R1.280 CNc1ccc(c(c1)OC)Cl 34a_100000742311_200000210301 [1,0,0,0,0,0|3,0,0]=4 1043 B11R1.280 CNc1ccc(c(c1)OC)F 2230a_100000701188_200000210301 [1,0,0,0,0,0|3,0,0]=4 1044 B11R1.280 CNc1ccc(c(c1)OC)F 34a_100000701188_200000210301 [1,0,0,0,0,0|3,0,0]=4 1045 B11R1.280 CNc1ccc(c(c1)OC)I 34a_100000746945_200000210301 [1,0,0,0,0,0|3,0,0]=4 1046 B11R1.280 CNc1ccc(c(c1)OC)O 34a_100000726020_200000210301 [1,0,0,0,0,0|2,0,0]=3 1047 B11R1.280 CNc1ccc(c(c1)SC)C 62a_100000707694_200000210301 [1,0,0,0,0,0|2,1,0]=4 1048 B11R1.280 CNc1ccc(c(c1)SC)C 62a_200000210301_100000707694 [1,0,0,0,0,0|2,1,0]=4 1049 B11R1.280 CNc1ccc(c(c1)S[13CH3])C 62a_100000707694_200025704644 [1,0,0,0,0,0|2,1,0]=4 1050 B11R1.280 CNc1ccc(c(c1)S[13CH3])C 62a_200025704644_100000707694 [1,0,0,0,0,0|2,1,0]=4 1051 B11R1.280 COc1cc(c(cn1)O)OC 271570a_203496583355_100010191559 [1,0,0,0,0,0|3,0,0]=4 1052 B11R1.280 COc1cc(ccc1Br)C#N 34a_100009877741_200000210301 [1,0,0,0,0,0|2,0,1]=4 1053 B11R1.280 COc1cc(ccc1Br)C#N 7a_100009877741_200000210301 [1,0,0,0,0,0|2,0,1]=4 1054 B11R1.280 COc1cc(ccc1Br)CO 34a_100010191536_200000210301 [1,0,0,0,0,0|1,0,2]=4 1055 B11R1.280 COc1cc(ccc1Br)CO 7a_100010191536_200000210301 [1,0,0,0,0,0|1,0,2]=4 1056 B11R1.280 COc1cc(ccc1Br)N[13CH3] 2230a_100000765947_200025704644 [1,0,0,0,0,0|3,0,0]=4 1057 B11R1.280 COc1cc(ccc1Br)N[13CH3] 34a_100000765947_200025704644 [1,0,0,0,0,0|3,0,0]=4 1058 B11R1.280 COc1cc(ccc1Br)O[13CH3] 34a_100011827694_200025704644 [1,0,0,0,0,0|3,0,0]=4 1059 B11R1.280 COc1cc(ccc1Br)O[13CH3] 7a_100011827694_200025704644 [1,0,0,0,0,0|3,0,0]=4 1060 B11R1.280 COc1cc(ccc1Br)SC 62a_100012353699_200000210301 [1,0,0,0,0,0|3,0,0]=4 1061 B11R1.280 COc1cc(ccc1Br)SC 62a_200000210301_100012353699 [1,0,0,0,0,0|3,0,0]=4 1062 B11R1.280 COc1cc(ccc1Br)S[13CH3] 62a_100012353699_200025704644 [1,0,0,0,0,0|3,0,0]=4 1063 B11R1.280 COc1cc(ccc1Br)S[13CH3] 62a_200025704644_100012353699 [1,0,0,0,0,0|3,0,0]=4 1064 B11R1.280 COc1cc(ccc1C)C#N 34a_100000765541_200000210301 [1,0,0,0,0,0|1,0,1]=3 1065 B11R1.280 COc1cc(ccc1C)C#N 7a_100000765541_200000210301 [1,0,0,0,0,0|1,0,1]=3 1066 B11R1.280 COc1cc(ccc1C)N[13CH3] 2230a_100011279678_200025704644 [1,0,0,0,0,0|2,0,0]=3 1067 B11R1.280 COc1cc(ccc1C)N[13CH3] 34a_100011279678_200025704644 [1,0,0,0,0,0|2,0,0]=3 1068 B11R1.280 COc1cc(ccc1C)O[13CH3] 34a_100009865632_200025704644 [1,0,0,0,0,0|2,0,0]=3 1069 B11R1.280 COc1cc(ccc1C)O[13CH3] 7a_100009865632_200025704644 [1,0,0,0,0,0|2,0,0]=3 1070 B11R1.280 COc1cc(ccc1C)SC 62a_100011830276_200000210301 [1,0,0,0,0,0|2,0,0]=3 1071 B11R1.280 COc1cc(ccc1C)SC 62a_200000210301_100011830276 [1,0,0,0,0,0|2,0,0]=3 1072 B11R1.280 COc1cc(ccc1C)S[13CH3] 62a_100011830276_200025704644 [1,0,0,0,0,0|2,0,0]=3 1073 B11R1.280 COc1cc(ccc1C)S[13CH3] 62a_200025704644_100011830276 [1,0,0,0,0,0|2,0,0]=3 1074 B11R1.280 COc1cc(ccc1Cl)C#N 34a_100012186312_200000210301 [1,0,0,0,0,0|2,0,1]=4 1075 B11R1.280 COc1cc(ccc1Cl)C#N 7a_100012186312_200000210301 [1,0,0,0,0,0|2,0,1]=4 1076 B11R1.280 COc1cc(ccc1Cl)CN 34a_100020636435_200000210301 [1,0,0,0,0,0|2,0,1]=4 1077 B11R1.280 COc1cc(ccc1Cl)CO 34a_100009876509_200000210301 [1,0,0,0,0,0|1,0,2]=4 1078 B11R1.280 COc1cc(ccc1Cl)CO 7a_100009876509_200000210301 [1,0,0,0,0,0|1,0,2]=4 1079 B11R1.280 COc1cc(ccc1Cl)N[13CH3] 2230a_100000742311_200025704644 [1,0,0,0,0,0|3,0,0]=4 1080 B11R1.280 COc1cc(ccc1Cl)N[13CH3] 34a_100000742311_200025704644 [1,0,0,0,0,0|3,0,0]=4 1081 B11R1.280 COc1cc(ccc1Cl)O[13CH3] 34a_100012186310_200025704644 [1,0,0,0,0,0|3,0,0]=4 1082 B11R1.280 COc1cc(ccc1Cl)O[13CH3] 7a_100012186310_200025704644 [1,0,0,0,0,0|3,0,0]=4 1083 B11R1.280 COc1cc(ccc1Cl)SC 62a_100011356853_200000210301 [1,0,0,0,0,0|3,0,0]=4 1084 B11R1.280 COc1cc(ccc1Cl)SC 62a_200000210301_100011356853 [1,0,0,0,0,0|3,0,0]=4 1085 B11R1.280 COc1cc(ccc1Cl)S[13CH3] 62a_100011356853_200025704644 [1,0,0,0,0,0|3,0,0]=4 1086 B11R1.280 COc1cc(ccc1Cl)S[13CH3] 62a_200025704644_100011356853 [1,0,0,0,0,0|3,0,0]=4 1087 B11R1.280 COc1cc(ccc1F)C#N 34a_100000069402_200000210301 [1,0,0,0,0,0|2,0,1]=4 1088 B11R1.280 COc1cc(ccc1F)C#N 7a_100000069402_200000210301 [1,0,0,0,0,0|2,0,1]=4 1089 B11R1.280 COc1cc(ccc1F)CN 34a_100160469508_200000210301 [1,0,0,0,0,0|2,0,1]=4 1090 B11R1.280 COc1cc(ccc1F)CO 34a_100009842347_200000210301 [1,0,0,0,0,0|1,0,2]=4 1091 B11R1.280 COc1cc(ccc1F)CO 7a_100009842347_200000210301 [1,0,0,0,0,0|1,0,2]=4 1092 B11R1.280 COc1cc(ccc1F)N[13CH3] 2230a_100000701188_200025704644 [1,0,0,0,0,0|3,0,0]=4 1093 B11R1.280 COc1cc(ccc1F)N[13CH3] 34a_100000701188_200025704644 [1,0,0,0,0,0|3,0,0]=4 1094 B11R1.280 COc1cc(ccc1F)O[13CH3] 34a_100012001760_200025704644 [1,0,0,0,0,0|3,0,0]=4 1095 B11R1.280 COc1cc(ccc1F)O[13CH3] 7a_100012001760_200025704644 [1,0,0,0,0,0|3,0,0]=4 1096 B11R1.280 COc1cc(ccc1F)SC 62a_100011934186_200000210301 [1,0,0,0,0,0|3,0,0]=4 1097 B11R1.280 COc1cc(ccc1F)SC 62a_200000210301_100011934186 [1,0,0,0,0,0|3,0,0]=4 1098 B11R1.280 COc1cc(ccc1F)S[13CH3] 62a_100011934186_200025704644 [1,0,0,0,0,0|3,0,0]=4 1099 B11R1.280 COc1cc(ccc1F)S[13CH3] 62a_200025704644_100011934186 [1,0,0,0,0,0|3,0,0]=4 1100 B11R1.280 COc1cc(ccc1I)C#N 34a_100000724445_200000210301 [1,0,0,0,0,0|2,0,1]=4 1101 B11R1.280 COc1cc(ccc1I)C#N 7a_100000724445_200000210301 [1,0,0,0,0,0|2,0,1]=4 1102 B11R1.280 COc1cc(ccc1I)CO 34a_100000049605_200000210301 [1,0,0,0,0,0|1,0,2]=4 1103 B11R1.280 COc1cc(ccc1I)CO 7a_100000049605_200000210301 [1,0,0,0,0,0|1,0,2]=4 1104 B11R1.280 COc1cc(ccc1I)N[13CH3] 34a_100000746945_200025704644 [1,0,0,0,0,0|3,0,0]=4 1105 B11R1.280 COc1cc(ccc1N)C#N 34a_100011997735_200000210301 [1,0,0,0,0,0|2,0,1]=4 1106 B11R1.280 COc1cc(ccc1N)C#N 7a_100011997735_200000210301 [1,0,0,0,0,0|2,0,1]=4 1107 B11R1.280 COc1cc(ccc1N)O[13CH3] 34a_100015326901_200025704644 [1,0,0,0,0,0|3,0,0]=4 1108 B11R1.280 COc1cc(ccc1N)O[13CH3] 7a_100015326901_200025704644 [1,0,0,0,0,0|3,0,0]=4 1109 B11R1.280 COc1cc(ccc1N)SC 62a_100011279103_200000210301 [1,0,0,0,0,0|3,0,0]=4 1110 B11R1.280 COc1cc(ccc1N)SC 62a_200000210301_100015196925 [1,0,0,0,0,0|3,0,0]=4 1111 B11R1.280 COc1cc(ccc1N)S[13CH3] 62a_100011279103_200025704644 [1,0,0,0,0,0|3,0,0]=4 1112 B11R1.280 COc1cc(ccc1N)S[13CH3] 62a_200025704644_100015196925 [1,0,0,0,0,0|3,0,0]=4 1113 B11R1.280 COc1cc(ccc1O)C#N 271570a_203496583355_100012356288 [1,0,0,0,0,0|1,0,1]=3 1114 B11R1.280 COc1cc(ccc1O)C=O 271570a_203496583355_100010244714 [1,0,0,0,0,0|0,0,0]=1 1115 B11R1.280 COc1cc(ccc1O)CO 271570a_203496583355_100010234685 [1,0,0,0,0,0|0,0,2]=3 1116 B11R1.280 COc1cc(ccc1O)N[13CH3] 34a_100000726020_200025704644 [1,0,0,0,0,0|2,0,0]=3 1117 B11R1.280 COc1cc(ccc1O)SC 62a_200000210301_100000694246 [1,0,0,0,0,0|2,0,0]=3 1118 B11R1.280 COc1cc(ccc1O)S[13CH3] 62a_200025704644_100000694246 [1,0,0,0,0,0|2,0,0]=3 1119 B11R1.280 COc1cc(cnc1C)SC 62a_100010254219_200000210301 [1,0,0,0,0,0|3,0,0]=4 1120 B11R1.280 COc1cc(cnc1C)SC 62a_200000210301_100010254219 [1,0,0,0,0,0|3,0,0]=4 1121 B11R1.280 COc1cc(cnc1C)S[13CH3] 62a_100010254219_200025704644 [1,0,0,0,0,0|3,0,0]=4 1122 B11R1.280 COc1cc(cnc1C)S[13CH3] 62a_200025704644_100010254219 [1,0,0,0,0,0|3,0,0]=4 1123 B11R1.280 COc1cc(cnc1O)C#N 271570a_203496583355_200009864118 [1,0,0,0,0,0|2,0,1]=4 1124 B11R1.280 COc1cc(ncc1C)SC 62a_100010067687_200000210301 [1,0,0,0,0,0|3,0,0]=4 1125 B11R1.280 COc1cc(ncc1C)SC 62a_200000210301_100010067687 [1,0,0,0,0,0|3,0,0]=4 1126 B11R1.280 COc1cc(ncc1C)S[13CH3] 62a_100010067687_200025704644 [1,0,0,0,0,0|3,0,0]=4 1127 B11R1.280 COc1cc(ncc1C)S[13CH3] 62a_200025704644_100010067687 [1,0,0,0,0,0|3,0,0]=4 1128 B11R1.280 COc1cc(ncc1O)C#N 271570a_203496583355_100010136804 [1,0,0,0,0,0|2,0,1]=4 1129 B11R1.280 COc1cc(ncc1O)CO 271570a_203496583355_100010999569 [1,0,0,0,0,0|1,0,2]=4 1130 B11R1.280 COc1ccc(c(c1)N[13CH3])C 2230a_100000760359_200025704644 [1,0,0,0,0,0|3,0,0]=4 1131 B11R1.280 COc1ccc(c(c1)N[13CH3])C 34a_100000760359_200025704644 [1,0,0,0,0,0|3,0,0]=4 1132 B11R1.280 COc1ccc(c(c1)N[13CH3])O 34a_100000188146_200025704644 [1,0,0,0,0,0|3,0,0]=4 1133 B11R1.280 COc1ccc(c(c1)OC)Br 34a_100000719091_200000210301 [1,0,0,0,0,0|3,0,0]=4 1134 B11R1.280 COc1ccc(c(c1)OC)Br 34a_100011827694_200000210301 [1,0,0,0,0,0|3,0,0]=4 1135 B11R1.280 COc1ccc(c(c1)OC)Br 7a_100000719091_200000210301 [1,0,0,0,0,0|3,0,0]=4 1136 B11R1.280 COc1ccc(c(c1)OC)Br 7a_100011827694_200000210301 [1,0,0,0,0,0|3,0,0]=4 1137 B11R1.280 COc1ccc(c(c1)OC)C 34a_100009865632_200000210301 [1,0,0,0,0,0|2,0,0]=3 1138 B11R1.280 COc1ccc(c(c1)OC)C 34a_100012179981_200000210301 [1,0,0,0,0,0|2,0,0]=3 1139 B11R1.280 COc1ccc(c(c1)OC)C 7a_100009865632_200000210301 [1,0,0,0,0,0|2,0,0]=3 1140 B11R1.280 COc1ccc(c(c1)OC)C 7a_100012179981_200000210301 [1,0,0,0,0,0|2,0,0]=3 1141 B11R1.280 COc1ccc(c(c1)OC)Cl 34a_100011516019_200000210301 [1,0,0,0,0,0|3,0,0]=4 1142 B11R1.280 COc1ccc(c(c1)OC)Cl 34a_100012186310_200000210301 [1,0,0,0,0,0|3,0,0]=4 1143 B11R1.280 COc1ccc(c(c1)OC)Cl 7a_100011516019_200000210301 [1,0,0,0,0,0|3,0,0]=4 1144 B11R1.280 COc1ccc(c(c1)OC)Cl 7a_100012186310_200000210301 [1,0,0,0,0,0|3,0,0]=4 1145 B11R1.280 COc1ccc(c(c1)OC)F 34a_100012001760_200000210301 [1,0,0,0,0,0|3,0,0]=4 1146 B11R1.280 COc1ccc(c(c1)OC)F 34a_100012178750_200000210301 [1,0,0,0,0,0|3,0,0]=4 1147 B11R1.280 COc1ccc(c(c1)OC)F 7a_100012001760_200000210301 [1,0,0,0,0,0|3,0,0]=4 1148 B11R1.280 COc1ccc(c(c1)OC)F 7a_100012178750_200000210301 [1,0,0,0,0,0|3,0,0]=4 1149 B11R1.280 COc1ccc(c(c1)OC)I 34a_100010168831_200000210301 [1,0,0,0,0,0|3,0,0]=4 1150 B11R1.280 COc1ccc(c(c1)OC)I 7a_100010168831_200000210301 [1,0,0,0,0,0|3,0,0]=4 1151 B11R1.280 COc1ccc(c(c1)OC)N 34a_100015326901_200000210301 [1,0,0,0,0,0|3,0,0]=4 1152 B11R1.280 COc1ccc(c(c1)OC)N 34a_100016989039_200000210301 [1,0,0,0,0,0|3,0,0]=4 1153 B11R1.280 COc1ccc(c(c1)OC)N 7a_100015326901_200000210301 [1,0,0,0,0,0|3,0,0]=4 1154 B11R1.280 COc1ccc(c(c1)OC)N 7a_100016989039_200000210301 [1,0,0,0,0,0|3,0,0]=4 1155 B11R1.280 COc1ccc(c(c1)OC)O 271570a_203496583355_100000750026 [1,0,0,0,0,0|2,0,0]=3 1156 B11R1.280 COc1ccc(c(c1)O[13CH3])Br 34a_100000719091_200025704644 [1,0,0,0,0,0|3,0,0]=4 1157 B11R1.280 COc1ccc(c(c1)O[13CH3])Br 7a_100000719091_200025704644 [1,0,0,0,0,0|3,0,0]=4 1158 B11R1.280 COc1ccc(c(c1)O[13CH3])C 34a_100012179981_200025704644 [1,0,0,0,0,0|2,0,0]=3 1159 B11R1.280 COc1ccc(c(c1)O[13CH3])C 7a_100012179981_200025704644 [1,0,0,0,0,0|2,0,0]=3 1160 B11R1.280 COc1ccc(c(c1)O[13CH3])Cl 34a_100011516019_200025704644 [1,0,0,0,0,0|3,0,0]=4 1161 B11R1.280 COc1ccc(c(c1)O[13CH3])Cl 7a_100011516019_200025704644 [1,0,0,0,0,0|3,0,0]=4 1162 B11R1.280 COc1ccc(c(c1)O[13CH3])F 34a_100012178750_200025704644 [1,0,0,0,0,0|3,0,0]=4 1163 B11R1.280 COc1ccc(c(c1)O[13CH3])F 7a_100012178750_200025704644 [1,0,0,0,0,0|3,0,0]=4 1164 B11R1.280 COc1ccc(c(c1)O[13CH3])I 34a_100010168831_200025704644 [1,0,0,0,0,0|3,0,0]=4 1165 B11R1.280 COc1ccc(c(c1)O[13CH3])I 7a_100010168831_200025704644 [1,0,0,0,0,0|3,0,0]=4 1166 B11R1.280 COc1ccc(c(c1)O[13CH3])N 34a_100016989039_200025704644 [1,0,0,0,0,0|3,0,0]=4 1167 B11R1.280 COc1ccc(c(c1)O[13CH3])N 7a_100016989039_200025704644 [1,0,0,0,0,0|3,0,0]=4 1168 B11R1.280 COc1ccc(c(c1)SC)C 62a_100012349166_200000210301 [1,0,0,0,0,0|2,1,0]=4 1169 B11R1.280 COc1ccc(c(c1)SC)C 62a_200000210301_100012349166 [1,0,0,0,0,0|2,1,0]=4 1170 B11R1.280 COc1ccc(c(c1)SC)O 62a_200000210301_100000685887 [1,0,0,0,0,0|2,1,0]=4 1171 B11R1.280 COc1ccc(c(c1)S[13CH3])C 62a_100012349166_200025704644 [1,0,0,0,0,0|2,1,0]=4 1172 B11R1.280 COc1ccc(c(c1)S[13CH3])C 62a_200025704644_100012349166 [1,0,0,0,0,0|2,1,0]=4 1173 B11R1.280 COc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000685887 [1,0,0,0,0,0|2,1,0]=4 1174 B11R1.280 COc1ccc(c(n1)OC)O 271570a_203496583355_100009816055 [1,0,0,0,0,0|3,0,0]=4 1175 B11R1.280 COc1nc(ccc1O)SC 62a_200000210301_100010893133 [1,0,0,0,0,0|3,0,0]=4 1176 B11R1.280 COc1nc(ccc1O)S[13CH3] 62a_200025704644_100010893133 [1,0,0,0,0,0|3,0,0]=4 1177 B11R1.280 CSc1cc(ccc1Br)C=O 62a_100010146563_200000210301 [1,0,0,0,0,0|1,1,0]=3 1178 B11R1.280 CSc1cc(ccc1Br)C=O 62a_200000210301_100010146563 [1,0,0,0,0,0|1,1,0]=3 1179 B11R1.280 CSc1cc(ccc1C)C#N 62a_200000210301_100000690169 [1,0,0,0,0,0|1,1,1]=4 1180 B11R1.280 CSc1cc(ccc1C)C=O 62a_100000695567_200000210301 [1,0,0,0,0,0|0,1,0]=2 1181 B11R1.280 CSc1cc(ccc1C)C=O 62a_200000210301_100000695567 [1,0,0,0,0,0|0,1,0]=2 1182 B11R1.280 CSc1cc(ccc1C)CO 62a_100000708995_200000210301 [1,0,0,0,0,0|0,1,2]=4 1183 B11R1.280 CSc1cc(ccc1C)CO 62a_200000210301_100000708995 [1,0,0,0,0,0|0,1,2]=4 1184 B11R1.280 CSc1cc(ccc1C)NN 62a_100016991967_200000210301 [1,0,0,0,0,0|2,1,0]=4 1185 B11R1.280 CSc1cc(ccc1C)NN 62a_200000210301_100016991967 [1,0,0,0,0,0|2,1,0]=4 1186 B11R1.280 CSc1cc(ccc1Cl)C=O 62a_100010209939_200000210301 [1,0,0,0,0,0|1,1,0]=3 1187 B11R1.280 CSc1cc(ccc1Cl)C=O 62a_200000210301_100010209939 [1,0,0,0,0,0|1,1,0]=3 1188 B11R1.280 CSc1cc(ccc1F)C=O 62a_100000211747_200000210301 [1,0,0,0,0,0|1,1,0]=3 1189 B11R1.280 CSc1cc(ccc1F)C=O 62a_200000210301_100000211747 [1,0,0,0,0,0|1,1,0]=3 1190 B11R1.280 CSc1cc(ccc1O)C#N 62a_200000210301_100000725478 [1,0,0,0,0,0|1,1,1]=4 1191 B11R1.280 CSc1cc(ccc1O)C=O 62a_100000184552_200000210301 [1,0,0,0,0,0|0,1,0]=2 1192 B11R1.280 CSc1cc(ccc1O)C=O 62a_200000210301_100000184552 [1,0,0,0,0,0|0,1,0]=2 1193 B11R1.280 CSc1cc(ccc1O)CO 62a_100011191544_200000210301 [1,0,0,0,0,0|0,1,2]=4 1194 B11R1.280 CSc1cc(ccc1O)CO 62a_200000210301_100011191544 [1,0,0,0,0,0|0,1,2]=4 1195 B11R1.280 CSc1cc(cnc1N)C=O 62a_100010064899_200000210301 [1,0,0,0,0,0|2,1,0]=4 1196 B11R1.280 CSc1cc(cnc1N)C=O 62a_200000210301_100010064899 [1,0,0,0,0,0|2,1,0]=4 1197 B11R1.280 CSc1cc(cnc1O)C=O 62a_100010064886_200000210301 [1,0,0,0,0,0|1,1,0]=3 1198 B11R1.280 CSc1cc(cnc1O)C=O 62a_200000210301_100010064886 [1,0,0,0,0,0|1,1,0]=3 1199 B11R1.280 CSc1cc(ncc1C)C=O 62a_100010174032_200000210301 [1,0,0,0,0,0|1,1,0]=3 1200 B11R1.280 CSc1cc(ncc1C)C=O 62a_200000210301_100010174032 [1,0,0,0,0,0|1,1,0]=3 1201 B11R1.280 Cc1ccc(cc1N[13CH3])C#N 34a_100000748024_200025704644 [1,0,0,0,0,0|2,0,1]=4 1202 B11R1.280 Cc1ccc(cc1N[13CH3])C#N 7a_100000748024_200025704644 [1,0,0,0,0,0|2,0,1]=4 1203 B11R1.280 Cc1ccc(cc1N[13CH3])CO 2230a_100000758420_200025704644 [1,0,0,0,0,0|1,0,2]=4 1204 B11R1.280 Cc1ccc(cc1N[13CH3])CO 34a_100000758420_200025704644 [1,0,0,0,0,0|1,0,2]=4 1205 B11R1.280 Cc1ccc(cc1O[13CH3])C#N 34a_100000765541_200025704644 [1,0,0,0,0,0|1,0,1]=3 1206 B11R1.280 Cc1ccc(cc1O[13CH3])C#N 7a_100000765541_200025704644 [1,0,0,0,0,0|1,0,1]=3 1207 B11R1.280 Cc1ccc(cc1S[13CH3])C#N 62a_200025704644_100000690169 [1,0,0,0,0,0|1,1,1]=4 1208 B11R1.280 Cc1ccc(cc1S[13CH3])C=O 62a_100000695567_200025704644 [1,0,0,0,0,0|0,1,0]=2 1209 B11R1.280 Cc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000695567 [1,0,0,0,0,0|0,1,0]=2 1210 B11R1.280 Cc1ccc(cc1S[13CH3])CO 62a_100000708995_200025704644 [1,0,0,0,0,0|0,1,2]=4 1211 B11R1.280 Cc1ccc(cc1S[13CH3])CO 62a_200025704644_100000708995 [1,0,0,0,0,0|0,1,2]=4 1212 B11R1.280 Cc1ccc(cc1S[13CH3])NN 62a_100016991967_200025704644 [1,0,0,0,0,0|2,1,0]=4 1213 B11R1.280 Cc1ccc(cc1S[13CH3])NN 62a_200025704644_100016991967 [1,0,0,0,0,0|2,1,0]=4 1214 B11R1.280 Cc1cnc(cc1S[13CH3])C=O 62a_100010174032_200025704644 [1,0,0,0,0,0|1,1,0]=3 1215 B11R1.280 Cc1cnc(cc1S[13CH3])C=O 62a_200025704644_100010174032 [1,0,0,0,0,0|1,1,0]=3 1216 B11R1.280 N#Cc1cc(ccc1O)C=O 271570a_203496583355_100010128726 [1,0,0,0,0,0|2,0,0]=3 1217 B11R1.280 O=Cc1ccc(c(c1)CO)O 271570a_203496583355_100015639582 [1,0,0,0,0,0|2,0,0]=3 1218 B11R1.280 [13CH3]Nc1cc(ccc1O)C#N 34a_100000766272_200025704644 [1,0,0,0,0,0|2,0,1]=4 1219 B11R1.280 [13CH3]Nc1cc(ccc1O)C#N 7a_100000766272_200025704644 [1,0,0,0,0,0|2,0,1]=4 1220 B11R1.280 [13CH3]Nc1cc(ccc1O)CO 34a_100000123545_200025704644 [1,0,0,0,0,0|1,0,2]=4 1221 B11R1.280 [13CH3]Oc1cc(ccc1Br)C#N 34a_100009877741_200025704644 [1,0,0,0,0,0|2,0,1]=4 1222 B11R1.280 [13CH3]Oc1cc(ccc1Br)C#N 7a_100009877741_200025704644 [1,0,0,0,0,0|2,0,1]=4 1223 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 34a_100010191536_200025704644 [1,0,0,0,0,0|1,0,2]=4 1224 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 7a_100010191536_200025704644 [1,0,0,0,0,0|1,0,2]=4 1225 B11R1.280 [13CH3]Oc1cc(ccc1Cl)C#N 34a_100012186312_200025704644 [1,0,0,0,0,0|2,0,1]=4 1226 B11R1.280 [13CH3]Oc1cc(ccc1Cl)C#N 7a_100012186312_200025704644 [1,0,0,0,0,0|2,0,1]=4 1227 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CN 34a_100020636435_200025704644 [1,0,0,0,0,0|2,0,1]=4 1228 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 34a_100009876509_200025704644 [1,0,0,0,0,0|1,0,2]=4 1229 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 7a_100009876509_200025704644 [1,0,0,0,0,0|1,0,2]=4 1230 B11R1.280 [13CH3]Oc1cc(ccc1F)C#N 34a_100000069402_200025704644 [1,0,0,0,0,0|2,0,1]=4 1231 B11R1.280 [13CH3]Oc1cc(ccc1F)C#N 7a_100000069402_200025704644 [1,0,0,0,0,0|2,0,1]=4 1232 B11R1.280 [13CH3]Oc1cc(ccc1F)CN 34a_100160469508_200025704644 [1,0,0,0,0,0|2,0,1]=4 1233 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 34a_100009842347_200025704644 [1,0,0,0,0,0|1,0,2]=4 1234 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 7a_100009842347_200025704644 [1,0,0,0,0,0|1,0,2]=4 1235 B11R1.280 [13CH3]Oc1cc(ccc1I)C#N 34a_100000724445_200025704644 [1,0,0,0,0,0|2,0,1]=4 1236 B11R1.280 [13CH3]Oc1cc(ccc1I)C#N 7a_100000724445_200025704644 [1,0,0,0,0,0|2,0,1]=4 1237 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 34a_100000049605_200025704644 [1,0,0,0,0,0|1,0,2]=4 1238 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 7a_100000049605_200025704644 [1,0,0,0,0,0|1,0,2]=4 1239 B11R1.280 [13CH3]Oc1cc(ccc1N)C#N 34a_100011997735_200025704644 [1,0,0,0,0,0|2,0,1]=4 1240 B11R1.280 [13CH3]Oc1cc(ccc1N)C#N 7a_100011997735_200025704644 [1,0,0,0,0,0|2,0,1]=4 1241 B11R1.280 [13CH3]Sc1cc(ccc1Br)C=O 62a_100010146563_200025704644 [1,0,0,0,0,0|1,1,0]=3 1242 B11R1.280 [13CH3]Sc1cc(ccc1Br)C=O 62a_200025704644_100010146563 [1,0,0,0,0,0|1,1,0]=3 1243 B11R1.280 [13CH3]Sc1cc(ccc1Cl)C=O 62a_100010209939_200025704644 [1,0,0,0,0,0|1,1,0]=3 1244 B11R1.280 [13CH3]Sc1cc(ccc1Cl)C=O 62a_200025704644_100010209939 [1,0,0,0,0,0|1,1,0]=3 1245 B11R1.280 [13CH3]Sc1cc(ccc1F)C=O 62a_100000211747_200025704644 [1,0,0,0,0,0|1,1,0]=3 1246 B11R1.280 [13CH3]Sc1cc(ccc1F)C=O 62a_200025704644_100000211747 [1,0,0,0,0,0|1,1,0]=3 1247 B11R1.280 [13CH3]Sc1cc(ccc1O)C#N 62a_200025704644_100000725478 [1,0,0,0,0,0|1,1,1]=4 1248 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_100000184552_200025704644 [1,0,0,0,0,0|0,1,0]=2 1249 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_200025704644_100000184552 [1,0,0,0,0,0|0,1,0]=2 1250 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_100011191544_200025704644 [1,0,0,0,0,0|0,1,2]=4 1251 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_200025704644_100011191544 [1,0,0,0,0,0|0,1,2]=4 1252 B11R1.280 [13CH3]Sc1cc(cnc1N)C=O 62a_100010064899_200025704644 [1,0,0,0,0,0|2,1,0]=4 1253 B11R1.280 [13CH3]Sc1cc(cnc1N)C=O 62a_200025704644_100010064899 [1,0,0,0,0,0|2,1,0]=4 1254 B11R1.280 [13CH3]Sc1cc(cnc1O)C=O 62a_100010064886_200025704644 [1,0,0,0,0,0|1,1,0]=3 1255 B11R1.280 [13CH3]Sc1cc(cnc1O)C=O 62a_200025704644_100010064886 [1,0,0,0,0,0|1,1,0]=3 1256 B13R1.99 C=C(C)c1ccc(cc1C#N)C=O 271570a_100000694244_100010128726 [0,1,0,0,0,0|3,0,0]=4 1257 B13R1.99 C=C(C)c1ccc(cc1CO)C=O 271570a_100000694244_100015639582 [0,1,0,0,0,0|3,0,0]=4 1258 B13R1.99 C=C(C)c1ccc(cc1OC)C#N 271570a_100000694244_100012356288 [0,1,0,0,0,0|2,0,1]=4 1259 B13R1.99 C=C(C)c1ccc(cc1OC)C=O 271570a_100000694244_100010244714 [0,1,0,0,0,0|1,0,0]=2 1260 B13R1.99 C=C(C)c1ccc(cc1OC)CC 271570a_100000694244_200010710389 [0,1,0,0,0,0|2,0,1]=4 1261 B13R1.99 C=C(C)c1ccc(cc1OC)CO 271570a_100000694244_100010234685 [0,1,0,0,0,0|1,0,2]=4 1262 B13R1.99 C=C(C)c1ccc(cc1OC)OC 271570a_100000694244_100000750026 [0,1,0,0,0,0|3,0,0]=4 1263 B13R1.99 C=Cc1cc(ccc1N(C)C)C=O 271570a_100011290941_200011298039 [0,1,0,0,0,0|2,0,1]=4 1264 B13R1.99 C=Cc1ccc(c(c1)OC)B(O)O 271570a_100011290941_100010245881 [0,1,0,0,0,0|3,0,0]=4 1265 B13R1.99 C=Cc1ccc(c(c1)OC)C(=O)C 271570a_100011290941_100000709911 [0,1,0,0,0,0|2,0,0]=3 1266 B13R1.99 C=Cc1ccc(c(c1)OC)C(=O)N 271570a_100011290941_100000748320 [0,1,0,0,0,0|3,0,0]=4 1267 B13R1.99 C=Cc1ccc(c(c1)OC)C(F)F 271570a_100011290941_100010146106 [0,1,0,0,0,0|3,0,0]=4 1268 B13R1.99 C=Cc1cnc(c(c1)OC)C(=O)C 271570a_100011290941_100010137934 [0,1,0,0,0,0|3,0,0]=4 1269 B13R1.99 CN(C)c1ccc(cc1S[13CH3])C=O 62a_200011298039_200025704644 [0,1,0,0,0,0|1,1,0]=3 1270 B13R1.99 CN(C)c1ccc(cc1S[13CH3])C=O 62a_200025704644_200011298039 [0,1,0,0,0,0|1,1,0]=3 1271 B13R1.99 COc1cc(ccc1C(=O)C)C#N 1458a_100012002740_200000210301 [0,1,0,0,0,0|2,0,1]=4 1272 B13R1.99 COc1cc(ccc1C(=O)C)O[13CH3] 34a_100000116857_200025704644 [0,1,0,0,0,0|3,0,0]=4 1273 B13R1.99 COc1cc(ccc1C(=O)C)O[13CH3] 7a_100000116857_200025704644 [0,1,0,0,0,0|3,0,0]=4 1274 B13R1.99 COc1cc(ccc1C(=O)C)SC 1458a_100000211074_200000210301 [0,1,0,0,0,0|3,0,0]=4 1275 B13R1.99 COc1cc(ccc1C(=O)C)SC 62a_100000709911_200000210301 [0,1,0,0,0,0|3,0,0]=4 1276 B13R1.99 COc1cc(ccc1C(=O)C)S[13CH3] 62a_100000709911_200025704644 [0,1,0,0,0,0|3,0,0]=4 1277 B13R1.99 COc1cc(ccc1C(=O)[13CH3])C#N 1458a_100012002740_200025704644 [0,1,0,0,0,0|2,0,1]=4 1278 B13R1.99 COc1cc(ccc1C(=O)[13CH3])SC 1458a_100000211074_200025704644 [0,1,0,0,0,0|3,0,0]=4 1279 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 1458a_100000210807_200000210301 [0,1,0,0,0,0|3,0,0]=4 1280 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 34a_100000116857_200000210301 [0,1,0,0,0,0|3,0,0]=4 1281 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 34a_100000185565_200000210301 [0,1,0,0,0,0|3,0,0]=4 1282 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 7a_100000116857_200000210301 [0,1,0,0,0,0|3,0,0]=4 1283 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 7a_100000185565_200000210301 [0,1,0,0,0,0|3,0,0]=4 1284 B13R1.99 COc1ccc(c(c1)OC)C(=O)[13CH3] 1458a_100000210807_200025704644 [0,1,0,0,0,0|3,0,0]=4 1285 B13R1.99 COc1ccc(c(c1)O[13CH3])C(=O)C 34a_100000185565_200025704644 [0,1,0,0,0,0|3,0,0]=4 1286 B13R1.99 COc1ccc(c(c1)O[13CH3])C(=O)C 7a_100000185565_200025704644 [0,1,0,0,0,0|3,0,0]=4 1287 B13R1.99 CSc1cc(ccc1N(C)C)C=O 62a_200000210301_200011298039 [0,1,0,0,0,0|1,1,0]=3 1288 B13R1.99 CSc1cc(ccc1N(C)C)C=O 62a_200011298039_200000210301 [0,1,0,0,0,0|1,1,0]=3 1289 B13R1.355 C=C=Cc1cc(ccc1NC)C=O 271570a_100015277604_200010290468 [0,1,0,0,0,0|2,0,1]=4 1290 B13R1.355 C=C=Cc1cc(ccc1OC)C=O 271570a_100015277604_100000173361 [0,1,0,0,0,0|1,0,1]=3 1291 B13R1.355 C=C=Cc1cc(cnc1OC)C=O 271570a_100015277604_200010064893 [0,1,0,0,0,0|2,0,1]=4 1292 B13R1.355 C=C=Cc1cc(ncc1OC)C=O 271570a_100015277604_100010893078 [0,1,0,0,0,0|2,0,1]=4 1293 B13R1.355 C=C=Cc1nc(ccc1OC)C=O 271570a_100015277604_100010174741 [0,1,0,0,0,0|2,0,1]=4 1294 B13R1.355 C=Cc1ccc(c(c1)CC#N)OC 271570a_100011290941_200011218486 [0,1,0,0,0,0|2,0,1]=4 1295 B13R1.355 C=Cc1ccc(c(c1)CCN)OC 271570a_100011290941_100000763266 [0,1,0,0,0,0|2,0,0]=3 1296 B13R1.355 C=Cc1ccc(c(c1)CNC)OC 271570a_100011290941_100000690607 [0,1,0,0,0,0|2,0,0]=3 1297 B13R1.355 C=Cc1ccc(c(c1)COC)OC 271570a_100011290941_200011493686 [0,1,0,0,0,0|1,0,0]=2 1298 B13R1.355 C=Cc1ccc(c(c1)OCC)C#N 271570a_100011290941_100013120067 [0,1,0,0,0,0|3,0,0]=4 1299 B13R1.355 C=Cc1ccc(c(c1)OCC)OC 271570a_100011290941_200010219349 [0,1,0,0,0,0|1,0,0]=2 1300 B13R1.355 C=Cc1ccc(cc1OCC)C=O 271570a_100011290941_200010381951 [0,1,0,0,0,0|1,0,1]=3 1301 B13R1.355 C=Cc1ncc(c(n1)OCC)OC 271570a_100011290941_200010280453 [0,1,0,0,0,0|3,0,0]=4 1302 B13R1.355 CC=Cc1cc(ccc1C#N)C=O 271570a_100016259895_100012355660 [0,1,0,0,0,0|3,0,0]=4 1303 B13R1.355 CC=Cc1cc(ccc1C=O)C=O 271570a_100016259895_100015597013 [0,1,0,0,0,0|3,0,0]=4 1304 B13R1.355 CC=Cc1cc(ccc1NC)C=O 271570a_100016259895_200010290468 [0,1,0,0,0,0|2,0,0]=3 1305 B13R1.355 CC=Cc1cc(ccc1OC)C#N 271570a_100016259895_100000188253 [0,1,0,0,0,0|2,0,1]=4 1306 B13R1.355 CC=Cc1cc(ccc1OC)C=O 271570a_100016259895_100000173361 [0,1,0,0,0,0|1,0,0]=2 1307 B13R1.355 CC=Cc1cc(ccc1OC)CC 271570a_100016259895_100010062400 [0,1,0,0,0,0|2,0,1]=4 1308 B13R1.355 CC=Cc1cc(ccc1OC)CN 271570a_100016259895_100159240714 [0,1,0,0,0,0|2,0,1]=4 1309 B13R1.355 CC=Cc1cc(ccc1OC)CO 271570a_100016259895_100000246451 [0,1,0,0,0,0|1,0,2]=4 1310 B13R1.355 CC=Cc1cc(ccc1OC)NC 271570a_100016259895_114948341033 [0,1,0,0,0,0|3,0,0]=4 1311 B13R1.355 CC=Cc1cc(ccc1OC)OC 271570a_100016259895_100011215452 [0,1,0,0,0,0|3,0,0]=4 1312 B13R1.355 CC=Cc1cc(cnc1OC)C=O 271570a_100016259895_200010064893 [0,1,0,0,0,0|2,0,0]=3 1313 B13R1.355 CC=Cc1cc(ncc1OC)C=O 271570a_100016259895_100010893078 [0,1,0,0,0,0|2,0,0]=3 1314 B13R1.355 CC=Cc1nc(ccc1OC)C=O 271570a_100016259895_100010174741 [0,1,0,0,0,0|2,0,0]=3 1315 B13R1.355 CCNc1cc(ccc1OC)C#N 34a_100000747721_100000210202 [0,1,0,0,0,0|2,0,1]=4 1316 B13R1.355 CCNc1cc(ccc1OC)C#N 7a_100000747721_100000210202 [0,1,0,0,0,0|2,0,1]=4 1317 B13R1.355 CCNc1cc(ccc1OC)CC 2230a_100012035449_100000210202 [0,1,0,0,0,0|2,0,1]=4 1318 B13R1.355 CCNc1cc(ccc1OC)CC 34a_100012035449_100000210202 [0,1,0,0,0,0|2,0,1]=4 1319 B13R1.355 CCNc1cc(ccc1OC)CO 2230a_100011269841_100000210202 [0,1,0,0,0,0|1,0,2]=4 1320 B13R1.355 CCNc1cc(ccc1OC)CO 34a_100011269841_100000210202 [0,1,0,0,0,0|1,0,2]=4 1321 B13R1.355 CCNc1cc(ccc1OC)OC 2230a_100000184736_100000210202 [0,1,0,0,0,0|3,0,0]=4 1322 B13R1.355 CCNc1cc(ccc1OC)OC 34a_100000184736_100000210202 [0,1,0,0,0,0|3,0,0]=4 1323 B13R1.355 CCOc1cc(ccc1OC)C#N 34a_100000181481_200000210301 [0,1,0,0,0,0|1,0,1]=3 1324 B13R1.355 CCOc1cc(ccc1OC)C#N 34a_100000188611_100000210202 [0,1,0,0,0,0|1,0,1]=3 1325 B13R1.355 CCOc1cc(ccc1OC)C#N 7a_100000181481_200000210301 [0,1,0,0,0,0|1,0,1]=3 1326 B13R1.355 CCOc1cc(ccc1OC)C#N 7a_100000188611_100000210202 [0,1,0,0,0,0|1,0,1]=3 1327 B13R1.355 CCOc1cc(ccc1OC)CC 34a_100009844796_100000210202 [0,1,0,0,0,0|1,0,1]=3 1328 B13R1.355 CCOc1cc(ccc1OC)CC 7a_100009844796_100000210202 [0,1,0,0,0,0|1,0,1]=3 1329 B13R1.355 CCOc1cc(ccc1OC)CN 34a_100000740000_100000210202 [0,1,0,0,0,0|1,0,1]=3 1330 B13R1.355 CCOc1cc(ccc1OC)CN 34a_200000751567_200000210301 [0,1,0,0,0,0|1,0,1]=3 1331 B13R1.355 CCOc1cc(ccc1OC)CO 34a_100011215239_100000210202 [0,1,0,0,0,0|0,0,2]=3 1332 B13R1.355 CCOc1cc(ccc1OC)CO 34a_200011232662_200000210301 [0,1,0,0,0,0|0,0,2]=3 1333 B13R1.355 CCOc1cc(ccc1OC)OC 34a_100000074795_100000210202 [0,1,0,0,0,0|2,0,0]=3 1334 B13R1.355 CCOc1cc(ccc1O[13CH3])C#N 34a_100000181481_200025704644 [0,1,0,0,0,0|1,0,1]=3 1335 B13R1.355 CCOc1cc(ccc1O[13CH3])C#N 7a_100000181481_200025704644 [0,1,0,0,0,0|1,0,1]=3 1336 B13R1.355 CCOc1cc(ccc1O[13CH3])CN 34a_200000751567_200025704644 [0,1,0,0,0,0|1,0,1]=3 1337 B13R1.355 CCOc1cc(ccc1O[13CH3])CO 34a_200011232662_200025704644 [0,1,0,0,0,0|0,0,2]=3 1338 B13R1.355 CCOc1cc(ccc1SC)C=O 62a_200000210301_200010381951 [0,1,0,0,0,0|0,1,0]=2 1339 B13R1.355 CCOc1cc(ccc1SC)C=O 62a_200010381951_200000210301 [0,1,0,0,0,0|0,1,0]=2 1340 B13R1.355 CCOc1cc(ccc1S[13CH3])C=O 62a_200010381951_200025704644 [0,1,0,0,0,0|0,1,0]=2 1341 B13R1.355 CCOc1cc(ccc1S[13CH3])C=O 62a_200025704644_200010381951 [0,1,0,0,0,0|0,1,0]=2 1342 B13R1.355 CCSc1cc(ccc1C#N)C=O 62a_100000210202_100012355660 [0,1,0,0,0,0|2,1,0]=4 1343 B13R1.355 CCSc1cc(ccc1C=O)C=O 62a_100000210202_100015597013 [0,1,0,0,0,0|2,1,0]=4 1344 B13R1.355 CCSc1cc(ccc1C=O)C=O 62a_100015597013_100000210202 [0,1,0,0,0,0|2,1,0]=4 1345 B13R1.355 CCSc1cc(ccc1NC)C=O 62a_100000210202_200010290468 [0,1,0,0,0,0|1,1,0]=3 1346 B13R1.355 CCSc1cc(ccc1NC)C=O 62a_200010290468_100000210202 [0,1,0,0,0,0|1,1,0]=3 1347 B13R1.355 CCSc1cc(ccc1OC)C#N 62a_100000210202_100000188253 [0,1,0,0,0,0|1,1,1]=4 1348 B13R1.355 CCSc1cc(ccc1OC)C=O 62a_100000173361_100000210202 [0,1,0,0,0,0|0,1,0]=2 1349 B13R1.355 CCSc1cc(ccc1OC)C=O 62a_100000210202_100000173361 [0,1,0,0,0,0|0,1,0]=2 1350 B13R1.355 CCSc1cc(ccc1OC)CC 62a_100000210202_100010062400 [0,1,0,0,0,0|1,1,1]=4 1351 B13R1.355 CCSc1cc(ccc1OC)CC 62a_100010062400_100000210202 [0,1,0,0,0,0|1,1,1]=4 1352 B13R1.355 CCSc1cc(ccc1OC)CN 62a_100000210202_100159240714 [0,1,0,0,0,0|1,1,1]=4 1353 B13R1.355 CCSc1cc(ccc1OC)CN 62a_100159240714_100000210202 [0,1,0,0,0,0|1,1,1]=4 1354 B13R1.355 CCSc1cc(ccc1OC)CO 62a_100000210202_100000246451 [0,1,0,0,0,0|0,1,2]=4 1355 B13R1.355 CCSc1cc(ccc1OC)CO 62a_100000246451_100000210202 [0,1,0,0,0,0|0,1,2]=4 1356 B13R1.355 CCSc1cc(ccc1OC)NC 62a_100000210202_114948341033 [0,1,0,0,0,0|2,1,0]=4 1357 B13R1.355 CCSc1cc(ccc1OC)NC 62a_114948341033_100000210202 [0,1,0,0,0,0|2,1,0]=4 1358 B13R1.355 CCSc1cc(ccc1OC)OC 62a_100000210202_100011215452 [0,1,0,0,0,0|2,1,0]=4 1359 B13R1.355 CCSc1cc(ccc1OC)OC 62a_100011215452_100000210202 [0,1,0,0,0,0|2,1,0]=4 1360 B13R1.355 CCSc1cc(cnc1OC)C=O 62a_100000210202_200010064893 [0,1,0,0,0,0|1,1,0]=3 1361 B13R1.355 CCSc1cc(cnc1OC)C=O 62a_200010064893_100000210202 [0,1,0,0,0,0|1,1,0]=3 1362 B13R1.355 CCSc1cc(ncc1OC)C=O 62a_100000210202_100010893078 [0,1,0,0,0,0|1,1,0]=3 1363 B13R1.355 CCSc1cc(ncc1OC)C=O 62a_100010893078_100000210202 [0,1,0,0,0,0|1,1,0]=3 1364 B13R1.355 CCSc1nc(ccc1OC)C=O 62a_100000210202_100010174741 [0,1,0,0,0,0|1,1,0]=3 1365 B13R1.355 CCSc1nc(ccc1OC)C=O 62a_100010174741_100000210202 [0,1,0,0,0,0|1,1,0]=3 1366 B13R1.355 CCc1ccc(c(c1)CNC)OC 207a_100102657272_200000117280 [0,1,0,0,0,0|2,0,1]=4 1367 B13R1.355 CCc1ccc(c(c1)CNC)OC 26a_100102657272_100009844796 [0,1,0,0,0,0|2,0,1]=4 1368 B13R1.355 CCc1ccc(c(c1)CNC)OC 270004a_106832991635_200000117280 [0,1,0,0,0,0|2,0,1]=4 1369 B13R1.355 CCc1ccc(c(c1)NCF)OC 34a_100012035449_100015361967 [0,1,0,0,0,0|2,0,1]=4 1370 B13R1.355 CCc1ccc(c(c1)OCF)OC 34a_100009844796_100015361967 [0,1,0,0,0,0|1,0,1]=3 1371 B13R1.355 CCc1ccc(c(c1)OCF)OC 7a_100009844796_100015361967 [0,1,0,0,0,0|1,0,1]=3 1372 B13R1.355 CCc1ccc(c(c1)SCF)OC 62a_100010062400_100015361967 [0,1,0,0,0,0|1,1,1]=4 1373 B13R1.355 CCc1ccc(c(c1)SCF)OC 62a_100015361967_100010062400 [0,1,0,0,0,0|1,1,1]=4 1374 B13R1.355 CNCc1cc(ccc1OC)C#N 207a_100102657272_100012017408 [0,1,0,0,0,0|2,0,1]=4 1375 B13R1.355 CNCc1cc(ccc1OC)C#N 26a_100102657272_100000188611 [0,1,0,0,0,0|2,0,1]=4 1376 B13R1.355 CNCc1cc(ccc1OC)C#N 270004a_106832991635_100012017408 [0,1,0,0,0,0|2,0,1]=4 1377 B13R1.355 CNCc1cc(ccc1OC)C=O 2230a_106832991635_100000028394 [0,1,0,0,0,0|1,0,0]=2 1378 B13R1.355 CNCc1cc(ccc1OC)C=O 34a_100102657272_100000028394 [0,1,0,0,0,0|1,0,0]=2 1379 B13R1.355 CNCc1cc(ccc1OC)C=O 7a_106832991635_100000028394 [0,1,0,0,0,0|1,0,0]=2 1380 B13R1.355 CNCc1cc(ccc1OC)CO 26a_100102657272_100011215239 [0,1,0,0,0,0|1,0,2]=4 1381 B13R1.355 CNCc1cc(ccc1OC)OC 207a_100102657272_100000170336 [0,1,0,0,0,0|3,0,0]=4 1382 B13R1.355 CNCc1cc(ccc1OC)OC 26a_100102657272_100000074795 [0,1,0,0,0,0|3,0,0]=4 1383 B13R1.355 CNCc1cc(ccc1OC)OC 270004a_106832991635_100000170336 [0,1,0,0,0,0|3,0,0]=4 1384 B13R1.355 CNCc1cc(ccc1OC)OC 34a_100000185951_200000210301 [0,1,0,0,0,0|3,0,0]=4 1385 B13R1.355 CNCc1cc(ccc1OC)OC 34a_100102657272_100011233847 [0,1,0,0,0,0|3,0,0]=4 1386 B13R1.355 CNCc1cc(ccc1OC)OC 7a_106832991635_100000205131 [0,1,0,0,0,0|3,0,0]=4 1387 B13R1.355 CNCc1cc(ccc1OC)SC 62a_100000690607_200000210301 [0,1,0,0,0,0|3,0,0]=4 1388 B13R1.355 CNCc1cc(ccc1OC)SC 62a_200000210301_100000690607 [0,1,0,0,0,0|3,0,0]=4 1389 B13R1.355 CNCc1cc(ccc1OC)S[13CH3] 62a_100000690607_200025704644 [0,1,0,0,0,0|3,0,0]=4 1390 B13R1.355 CNCc1cc(ccc1OC)S[13CH3] 62a_200025704644_100000690607 [0,1,0,0,0,0|3,0,0]=4 1391 B13R1.355 CNc1ccc(c(c1)SCF)OC 62a_100015361967_114948341033 [0,1,0,0,0,0|2,1,0]=4 1392 B13R1.355 CNc1ccc(c(c1)SCF)OC 62a_114948341033_100015361967 [0,1,0,0,0,0|2,1,0]=4 1393 B13R1.355 CNc1ccc(cc1SCF)C=O 62a_100015361967_200010290468 [0,1,0,0,0,0|1,1,0]=3 1394 B13R1.355 CNc1ccc(cc1SCF)C=O 62a_200010290468_100015361967 [0,1,0,0,0,0|1,1,0]=3 1395 B13R1.355 COCc1cc(ccc1OC)C=O 34a_100138415774_100000028394 [0,1,0,0,0,0|0,0,0]=1 1396 B13R1.355 COCc1cc(ccc1OC)OC 34a_100000212306_200000210301 [0,1,0,0,0,0|2,0,0]=3 1397 B13R1.355 COCc1cc(ccc1OC)OC 34a_100138415774_100011233847 [0,1,0,0,0,0|2,0,0]=3 1398 B13R1.355 COCc1cc(ccc1OC)SC 62a_200000210301_200011493686 [0,1,0,0,0,0|2,0,0]=3 1399 B13R1.355 COCc1cc(ccc1OC)SC 62a_200011493686_200000210301 [0,1,0,0,0,0|2,0,0]=3 1400 B13R1.355 COCc1cc(ccc1OC)S[13CH3] 62a_200011493686_200025704644 [0,1,0,0,0,0|2,0,0]=3 1401 B13R1.355 COCc1cc(ccc1OC)S[13CH3] 62a_200025704644_200011493686 [0,1,0,0,0,0|2,0,0]=3 1402 B13R1.355 COc1ccc(c(c1)CN[13CH3])OC 34a_100000185951_200025704644 [0,1,0,0,0,0|3,0,0]=4 1403 B13R1.355 COc1ccc(c(c1)CO[13CH3])OC 34a_100000212306_200025704644 [0,1,0,0,0,0|2,0,0]=3 1404 B13R1.355 COc1ccc(c(c1)CSC)OC 62a_100000205131_200000210301 [0,1,0,0,0,0|2,1,0]=4 1405 B13R1.355 COc1ccc(c(c1)CSC)OC 62a_200000210301_100011233847 [0,1,0,0,0,0|2,1,0]=4 1406 B13R1.355 COc1ccc(c(c1)CS[13CH3])OC 62a_100000205131_200025704644 [0,1,0,0,0,0|2,1,0]=4 1407 B13R1.355 COc1ccc(c(c1)CS[13CH3])OC 62a_200025704644_100011233847 [0,1,0,0,0,0|2,1,0]=4 1408 B13R1.355 COc1ccc(c(c1)NCF)OC 34a_100000184736_100015361967 [0,1,0,0,0,0|3,0,0]=4 1409 B13R1.355 COc1ccc(c(c1)OCF)OC 34a_100000074795_100015361967 [0,1,0,0,0,0|2,0,0]=3 1410 B13R1.355 COc1ccc(c(c1)SCF)OC 62a_100011215452_100015361967 [0,1,0,0,0,0|2,1,0]=4 1411 B13R1.355 COc1ccc(c(c1)SCF)OC 62a_100015361967_100011215452 [0,1,0,0,0,0|2,1,0]=4 1412 B13R1.355 COc1ccc(cc1CCN)SC 62a_100000763266_200000210301 [0,1,0,0,0,0|3,0,0]=4 1413 B13R1.355 COc1ccc(cc1CCN)SC 62a_200000210301_100000763266 [0,1,0,0,0,0|3,0,0]=4 1414 B13R1.355 COc1ccc(cc1CCN)S[13CH3] 62a_100000763266_200025704644 [0,1,0,0,0,0|3,0,0]=4 1415 B13R1.355 COc1ccc(cc1CCN)S[13CH3] 62a_200025704644_100000763266 [0,1,0,0,0,0|3,0,0]=4 1416 B13R1.355 COc1ccc(cc1CSC)C=O 62a_100000028394_200000210301 [0,1,0,0,0,0|0,1,0]=2 1417 B13R1.355 COc1ccc(cc1CSC)C=O 62a_200000210301_100000028394 [0,1,0,0,0,0|0,1,0]=2 1418 B13R1.355 COc1ccc(cc1CS[13CH3])C=O 62a_100000028394_200025704644 [0,1,0,0,0,0|0,1,0]=2 1419 B13R1.355 COc1ccc(cc1CS[13CH3])C=O 62a_200025704644_100000028394 [0,1,0,0,0,0|0,1,0]=2 1420 B13R1.355 COc1ccc(cc1NCF)C#N 34a_100000747721_100015361967 [0,1,0,0,0,0|2,0,1]=4 1421 B13R1.355 COc1ccc(cc1NCF)C#N 7a_100000747721_100015361967 [0,1,0,0,0,0|2,0,1]=4 1422 B13R1.355 COc1ccc(cc1NCF)CO 34a_100011269841_100015361967 [0,1,0,0,0,0|1,0,2]=4 1423 B13R1.355 COc1ccc(cc1OCF)C#N 34a_100000188611_100015361967 [0,1,0,0,0,0|1,0,1]=3 1424 B13R1.355 COc1ccc(cc1OCF)C#N 7a_100000188611_100015361967 [0,1,0,0,0,0|1,0,1]=3 1425 B13R1.355 COc1ccc(cc1OCF)CN 34a_100000740000_100015361967 [0,1,0,0,0,0|1,0,1]=3 1426 B13R1.355 COc1ccc(cc1OCF)CO 34a_100011215239_100015361967 [0,1,0,0,0,0|0,0,2]=3 1427 B13R1.355 COc1ccc(cc1SCF)C#N 62a_100015361967_100000188253 [0,1,0,0,0,0|1,1,1]=4 1428 B13R1.355 COc1ccc(cc1SCF)C=O 62a_100000173361_100015361967 [0,1,0,0,0,0|0,1,0]=2 1429 B13R1.355 COc1ccc(cc1SCF)C=O 62a_100015361967_100000173361 [0,1,0,0,0,0|0,1,0]=2 1430 B13R1.355 COc1ccc(cc1SCF)CN 62a_100015361967_100159240714 [0,1,0,0,0,0|1,1,1]=4 1431 B13R1.355 COc1ccc(cc1SCF)CN 62a_100159240714_100015361967 [0,1,0,0,0,0|1,1,1]=4 1432 B13R1.355 COc1ccc(cc1SCF)CO 62a_100000246451_100015361967 [0,1,0,0,0,0|0,1,2]=4 1433 B13R1.355 COc1ccc(cc1SCF)CO 62a_100015361967_100000246451 [0,1,0,0,0,0|0,1,2]=4 1434 B13R1.355 COc1ccc(nc1SCF)C=O 62a_100010174741_100015361967 [0,1,0,0,0,0|1,1,0]=3 1435 B13R1.355 COc1ccc(nc1SCF)C=O 62a_100015361967_100010174741 [0,1,0,0,0,0|1,1,0]=3 1436 B13R1.355 COc1cnc(cc1SCF)C=O 62a_100010893078_100015361967 [0,1,0,0,0,0|1,1,0]=3 1437 B13R1.355 COc1cnc(cc1SCF)C=O 62a_100015361967_100010893078 [0,1,0,0,0,0|1,1,0]=3 1438 B13R1.355 COc1ncc(cc1SCF)C=O 62a_100015361967_200010064893 [0,1,0,0,0,0|1,1,0]=3 1439 B13R1.355 COc1ncc(cc1SCF)C=O 62a_200010064893_100015361967 [0,1,0,0,0,0|1,1,0]=3 1440 B13R1.355 N#Cc1ccc(cc1SCF)C=O 62a_100015361967_100012355660 [0,1,0,0,0,0|2,1,0]=4 1441 B13R1.355 O=Cc1ccc(c(c1)SCF)C=O 62a_100015361967_100015597013 [0,1,0,0,0,0|2,1,0]=4 1442 B13R1.355 O=Cc1ccc(c(c1)SCF)C=O 62a_100015597013_100015361967 [0,1,0,0,0,0|2,1,0]=4 1443 B13R1.386 C=C=Cc1cc(c(nn1)OC)OC 271570a_100015277604_200000095610 [0,1,0,0,0,0|3,0,0]=4 1444 B13R1.386 C=C=Cc1ccc(c(c1)C#N)OC 271570a_100015277604_100000188252 [0,1,0,0,0,0|3,0,0]=4 1445 B13R1.386 C=C=Cc1ccc(c(c1)C=O)OC 271570a_100015277604_100000170026 [0,1,0,0,0,0|3,0,0]=4 1446 B13R1.386 C=C=Cc1ccc(c(c1)CC)OC 271570a_100015277604_200010179862 [0,1,0,0,0,0|2,0,0]=3 1447 B13R1.386 C=C=Cc1ccc(c(c1)CN)OC 271570a_100015277604_100000690498 [0,1,0,0,0,0|3,0,0]=4 1448 B13R1.386 C=C=Cc1ccc(c(c1)CO)OC 271570a_100015277604_100000204679 [0,1,0,0,0,0|3,0,0]=4 1449 B13R1.386 C=C=Cc1ccc(c(c1)OC)C#N 271570a_100015277604_100000694671 [0,1,0,0,0,0|3,0,0]=4 1450 B13R1.386 C=C=Cc1ccc(c(c1)OC)C=O 271570a_100015277604_100000697075 [0,1,0,0,0,0|3,0,0]=4 1451 B13R1.386 C=C=Cc1ccc(c(c1)OC)CC 271570a_100015277604_200010710398 [0,1,0,0,0,0|2,0,0]=3 1452 B13R1.386 C=C=Cc1ccc(c(c1)OC)CO 271570a_100015277604_100011277633 [0,1,0,0,0,0|3,0,0]=4 1453 B13R1.386 C=C=Cc1ccc(c(c1)OC)OC 271570a_100015277604_100000187503 [0,1,0,0,0,0|1,0,0]=2 1454 B13R1.386 C=C=Cc1ccc(c(c1)OC)SC 271570a_100015277604_200011001119 [0,1,0,0,0,0|1,1,0]=3 1455 B13R1.386 C=C=Cc1ccc(c(c1)SC)OC 271570a_100015277604_200009892704 [0,1,0,0,0,0|1,1,0]=3 1456 B13R1.386 C=C=Cc1ccc(c(n1)OC)OC 271570a_100015277604_100010214848 [0,1,0,0,0,0|2,0,0]=3 1457 B13R1.386 C=C=Cc1cnc(c(c1)OC)OC 271570a_100015277604_100010234541 [0,1,0,0,0,0|2,0,0]=3 1458 B13R1.386 C=C=Cc1cnc(c(n1)OC)OC 271570a_100015277604_100010132954 [0,1,0,0,0,0|3,0,0]=4 1459 B13R1.386 C=C=Cc1ncc(c(n1)OC)OC 271570a_100015277604_100010280452 [0,1,0,0,0,0|3,0,0]=4 1460 B13R1.386 C=CCc1ccc(c(c1)OC)OC 34a_100000181329_200000210301 [0,1,0,0,0,0|1,0,0]=2 1461 B13R1.386 C=CCc1ccc(c(c1)OC)O[13CH3] 34a_100000181329_200025704644 [0,1,0,0,0,0|1,0,0]=2 1462 B13R1.386 CC=Cc1cc(c(nn1)OC)OC 271570a_100016259895_200000095610 [0,1,0,0,0,0|3,0,0]=4 1463 B13R1.386 CC=Cc1ccc(c(c1)C#N)OC 271570a_100016259895_100000188252 [0,1,0,0,0,0|3,0,0]=4 1464 B13R1.386 CC=Cc1ccc(c(c1)C=O)OC 271570a_100016259895_100000170026 [0,1,0,0,0,0|3,0,0]=4 1465 B13R1.386 CC=Cc1ccc(c(c1)CC)OC 271570a_100016259895_200010179862 [0,1,0,0,0,0|2,0,0]=3 1466 B13R1.386 CC=Cc1ccc(c(c1)CN)OC 271570a_100016259895_100000690498 [0,1,0,0,0,0|3,0,0]=4 1467 B13R1.386 CC=Cc1ccc(c(c1)CO)OC 271570a_100016259895_100000204679 [0,1,0,0,0,0|3,0,0]=4 1468 B13R1.386 CC=Cc1ccc(c(c1)OC)C#N 271570a_100016259895_100000694671 [0,1,0,0,0,0|3,0,0]=4 1469 B13R1.386 CC=Cc1ccc(c(c1)OC)C=O 271570a_100016259895_100000697075 [0,1,0,0,0,0|3,0,0]=4 1470 B13R1.386 CC=Cc1ccc(c(c1)OC)CC 271570a_100016259895_200010710398 [0,1,0,0,0,0|2,0,0]=3 1471 B13R1.386 CC=Cc1ccc(c(c1)OC)CO 271570a_100016259895_100011277633 [0,1,0,0,0,0|3,0,0]=4 1472 B13R1.386 CC=Cc1ccc(c(c1)OC)OC 271570a_100016259895_100000187503 [0,1,0,0,0,0|1,0,0]=2 1473 B13R1.386 CC=Cc1ccc(c(c1)OC)OC 34a_100015195088_200000210301 [0,1,0,0,0,0|1,0,0]=2 1474 B13R1.386 CC=Cc1ccc(c(c1)OC)O[13CH3] 34a_100015195088_200025704644 [0,1,0,0,0,0|1,0,0]=2 1475 B13R1.386 CC=Cc1ccc(c(c1)OC)SC 271570a_100016259895_200011001119 [0,1,0,0,0,0|1,1,0]=3 1476 B13R1.386 CC=Cc1ccc(c(c1)SC)OC 271570a_100016259895_200009892704 [0,1,0,0,0,0|1,1,0]=3 1477 B13R1.386 CC=Cc1ccc(c(n1)OC)OC 271570a_100016259895_100010214848 [0,1,0,0,0,0|2,0,0]=3 1478 B13R1.386 CC=Cc1cnc(c(c1)OC)OC 271570a_100016259895_100010234541 [0,1,0,0,0,0|2,0,0]=3 1479 B13R1.386 CC=Cc1cnc(c(n1)OC)OC 271570a_100016259895_100010132954 [0,1,0,0,0,0|3,0,0]=4 1480 B13R1.386 CC=Cc1ncc(c(n1)OC)OC 271570a_100016259895_100010280452 [0,1,0,0,0,0|3,0,0]=4 1481 B13R1.386 CCCc1ccc(c(c1)OC)OC 34a_100000012292_200000210301 [0,1,0,0,0,0|1,0,1]=3 1482 B13R1.386 CCCc1ccc(c(c1)OC)OC 7a_100000012292_200000210301 [0,1,0,0,0,0|1,0,1]=3 1483 B13R1.386 CCCc1ccc(c(c1)OC)O[13CH3] 34a_100000012292_200025704644 [0,1,0,0,0,0|1,0,1]=3 1484 B13R1.386 CCCc1ccc(c(c1)OC)O[13CH3] 7a_100000012292_200025704644 [0,1,0,0,0,0|1,0,1]=3 1485 B13R1.386 CCNc1ccc(c(c1)OC)OC 34a_100000187404_100000210202 [0,1,0,0,0,0|1,0,1]=3 1486 B13R1.386 CCOc1ccc(c(c1)OC)OC 34a_100000039706_100000210202 [0,1,0,0,0,0|1,0,1]=3 1487 B13R1.386 CCSc1ccc(c(c1)CC)OC 62a_100000210202_200010179862 [0,1,0,0,0,0|2,0,1]=4 1488 B13R1.386 CCSc1ccc(c(c1)CC)OC 62a_200010179862_100000210202 [0,1,0,0,0,0|2,0,1]=4 1489 B13R1.386 CCSc1ccc(c(c1)OC)CC 62a_100000210202_200010710398 [0,1,0,0,0,0|2,0,1]=4 1490 B13R1.386 CCSc1ccc(c(c1)OC)CC 62a_200010710398_100000210202 [0,1,0,0,0,0|2,0,1]=4 1491 B13R1.386 CCSc1ccc(c(c1)OC)OC 62a_100000210202_100011356967 [0,1,0,0,0,0|1,0,1]=3 1492 B13R1.386 CCSc1ccc(c(c1)OC)SC 62a_200011001119_100000210202 [0,1,0,0,0,0|1,1,1]=4 1493 B13R1.386 CCSc1ccc(c(c1)SC)OC 62a_200009892704_100000210202 [0,1,0,0,0,0|1,1,1]=4 1494 B13R1.386 CCSc1ccc(c(n1)OC)OC 62a_100000210202_100010214848 [0,1,0,0,0,0|2,0,1]=4 1495 B13R1.386 CCSc1cnc(c(c1)OC)OC 62a_100000210202_100010234541 [0,1,0,0,0,0|2,0,1]=4 1496 B13R1.386 CCc1cc(ccc1OC)SCF 62a_100015361967_200010179862 [0,1,0,0,0,0|2,0,1]=4 1497 B13R1.386 CCc1cc(ccc1OC)SCF 62a_200010179862_100015361967 [0,1,0,0,0,0|2,0,1]=4 1498 B13R1.386 CCc1ccc(cc1OC)SCF 62a_100015361967_200010710398 [0,1,0,0,0,0|2,0,1]=4 1499 B13R1.386 CCc1ccc(cc1OC)SCF 62a_200010710398_100015361967 [0,1,0,0,0,0|2,0,1]=4 1500 B13R1.386 CNCc1ccc(c(c1)OC)OC 207a_100102657272_100000170513 [0,1,0,0,0,0|1,0,1]=3 1501 B13R1.386 CNCc1ccc(c(c1)OC)OC 2230a_106832991635_100011233839 [0,1,0,0,0,0|1,0,1]=3 1502 B13R1.386 CNCc1ccc(c(c1)OC)OC 270004a_106832991635_100000170513 [0,1,0,0,0,0|1,0,1]=3 1503 B13R1.386 CNCc1ccc(c(c1)OC)OC 34a_100000185555_200000210301 [0,1,0,0,0,0|1,0,1]=3 1504 B13R1.386 CNCc1ccc(c(c1)OC)OC 34a_100000188468_200000210301 [0,1,0,0,0,0|1,0,1]=3 1505 B13R1.386 CNCc1ccc(c(c1)OC)SC 207a_100102657272_100000050949 [0,1,0,0,0,0|1,1,1]=4 1506 B13R1.386 CNCc1ccc(c(c1)OC)SC 270004a_106832991635_100000050949 [0,1,0,0,0,0|1,1,1]=4 1507 B13R1.386 CNCc1ccc(c(c1)O[13CH3])OC 34a_100000188468_200025704644 [0,1,0,0,0,0|1,0,1]=3 1508 B13R1.386 CNCc1cnc(c(c1)OC)OC 207a_100102657272_100000117638 [0,1,0,0,0,0|2,0,1]=4 1509 B13R1.386 CNCc1cnc(c(c1)OC)OC 270004a_106832991635_100000117638 [0,1,0,0,0,0|2,0,1]=4 1510 B13R1.386 COCc1ccc(c(c1)OC)OC 34a_100000210929_200000210301 [0,1,0,0,0,0|0,0,2]=3 1511 B13R1.386 COc1cc(ccc1O[13CH3])CC#N 34a_100000032377_200025704644 [0,1,0,0,0,0|1,0,1]=3 1512 B13R1.386 COc1cc(ccc1O[13CH3])CCBr 34a_100010741665_200025704644 [0,1,0,0,0,0|1,0,1]=3 1513 B13R1.386 COc1cc(ccc1O[13CH3])CCBr 7a_100010741665_200025704644 [0,1,0,0,0,0|1,0,1]=3 1514 B13R1.386 COc1cc(ccc1O[13CH3])CCN 34a_100000756042_200025704644 [0,1,0,0,0,0|1,0,1]=3 1515 B13R1.386 COc1cc(ccc1O[13CH3])CCO 34a_100011215244_200025704644 [0,1,0,0,0,0|0,0,2]=3 1516 B13R1.386 COc1cc(ccc1SC)CC#N 62a_100010176002_200000210301 [0,1,0,0,0,0|1,1,1]=4 1517 B13R1.386 COc1cc(ccc1SC)CC#N 62a_200000210301_100010176002 [0,1,0,0,0,0|1,1,1]=4 1518 B13R1.386 COc1cc(ccc1SC)SCF 62a_200011001119_100015361967 [0,1,0,0,0,0|1,1,1]=4 1519 B13R1.386 COc1cc(ccc1S[13CH3])CC#N 62a_100010176002_200025704644 [0,1,0,0,0,0|1,1,1]=4 1520 B13R1.386 COc1cc(ccc1S[13CH3])CC#N 62a_200025704644_100010176002 [0,1,0,0,0,0|1,1,1]=4 1521 B13R1.386 COc1cc(cnc1OC)SCF 62a_100015361967_100010234541 [0,1,0,0,0,0|2,0,1]=4 1522 B13R1.386 COc1ccc(cc1OC)CC#N 34a_100000032377_200000210301 [0,1,0,0,0,0|1,0,1]=3 1523 B13R1.386 COc1ccc(cc1OC)CCBr 34a_100010741665_200000210301 [0,1,0,0,0,0|1,0,1]=3 1524 B13R1.386 COc1ccc(cc1OC)CCBr 7a_100010741665_200000210301 [0,1,0,0,0,0|1,0,1]=3 1525 B13R1.386 COc1ccc(cc1OC)CCN 34a_100000756042_200000210301 [0,1,0,0,0,0|1,0,1]=3 1526 B13R1.386 COc1ccc(cc1OC)CCN 34a_100011207234_200000210301 [0,1,0,0,0,0|1,0,1]=3 1527 B13R1.386 COc1ccc(cc1OC)CCO 34a_100011215244_200000210301 [0,1,0,0,0,0|0,0,2]=3 1528 B13R1.386 COc1ccc(cc1OC)CN[13CH3] 34a_100000185555_200025704644 [0,1,0,0,0,0|1,0,1]=3 1529 B13R1.386 COc1ccc(cc1OC)CO[13CH3] 34a_100000210929_200025704644 [0,1,0,0,0,0|0,0,2]=3 1530 B13R1.386 COc1ccc(cc1OC)CSC 62a_200000210301_100011233839 [0,1,0,0,0,0|0,1,1]=3 1531 B13R1.386 COc1ccc(cc1OC)CS[13CH3] 62a_200025704644_100011233839 [0,1,0,0,0,0|0,1,1]=3 1532 B13R1.386 COc1ccc(cc1OC)NCF 34a_100000187404_100015361967 [0,1,0,0,0,0|1,0,1]=3 1533 B13R1.386 COc1ccc(cc1OC)OCF 34a_100000039706_100015361967 [0,1,0,0,0,0|1,0,1]=3 1534 B13R1.386 COc1ccc(cc1OC)SCF 62a_100015361967_100011356967 [0,1,0,0,0,0|1,0,1]=3 1535 B13R1.386 COc1ccc(cc1O[13CH3])CCN 34a_100011207234_200025704644 [0,1,0,0,0,0|1,0,1]=3 1536 B13R1.386 COc1ccc(cc1SC)CC#N 62a_100011215974_200000210301 [0,1,0,0,0,0|1,1,1]=4 1537 B13R1.386 COc1ccc(cc1SC)CC#N 62a_200000210301_100011215974 [0,1,0,0,0,0|1,1,1]=4 1538 B13R1.386 COc1ccc(cc1SC)CCN 62a_103549771065_200000210301 [0,1,0,0,0,0|1,1,1]=4 1539 B13R1.386 COc1ccc(cc1SC)CCN 62a_200000210301_103549771065 [0,1,0,0,0,0|1,1,1]=4 1540 B13R1.386 COc1ccc(cc1SC)CCO 62a_100011962876_200000210301 [0,1,0,0,0,0|0,1,2]=4 1541 B13R1.386 COc1ccc(cc1SC)CCO 62a_200000210301_100011962876 [0,1,0,0,0,0|0,1,2]=4 1542 B13R1.386 COc1ccc(cc1SC)SCF 62a_200009892704_100015361967 [0,1,0,0,0,0|1,1,1]=4 1543 B13R1.386 COc1ccc(cc1S[13CH3])CC#N 62a_100011215974_200025704644 [0,1,0,0,0,0|1,1,1]=4 1544 B13R1.386 COc1ccc(cc1S[13CH3])CC#N 62a_200025704644_100011215974 [0,1,0,0,0,0|1,1,1]=4 1545 B13R1.386 COc1ccc(cc1S[13CH3])CCN 62a_103549771065_200025704644 [0,1,0,0,0,0|1,1,1]=4 1546 B13R1.386 COc1ccc(cc1S[13CH3])CCN 62a_200025704644_103549771065 [0,1,0,0,0,0|1,1,1]=4 1547 B13R1.386 COc1ccc(cc1S[13CH3])CCO 62a_100011962876_200025704644 [0,1,0,0,0,0|0,1,2]=4 1548 B13R1.386 COc1ccc(cc1S[13CH3])CCO 62a_200025704644_100011962876 [0,1,0,0,0,0|0,1,2]=4 1549 B13R1.386 COc1ccc(nc1OC)SCF 62a_100015361967_100010214848 [0,1,0,0,0,0|2,0,1]=4 1550 B13R1.434 C=Cc1cc(c(c(c1)OC)C#N)F 271570a_100011290941_100000697026 [0,1,0,0,0,0|3,0,0]=4 1551 B13R1.434 C=Cc1cc(c(c(c1)OC)C=O)F 271570a_100011290941_100010363811 [0,1,0,0,0,0|3,0,0]=4 1552 B13R1.434 CNc1c(cc(cc1OC)OC)Cl 34a_100000041261_200000210301 [0,1,0,0,0,0|3,0,0]=4 1553 B13R1.434 CNc1cc(cc(c1OC)Br)OC 34a_100010294495_200000210301 [0,1,0,0,0,0|3,0,0]=4 1554 B13R1.434 COc1c(cc(cc1SC)CO)F 62a_100020751559_200000210301 [0,1,0,0,0,0|0,1,2]=4 1555 B13R1.434 COc1c(cc(cc1SC)CO)F 62a_200000210301_100020751559 [0,1,0,0,0,0|0,1,2]=4 1556 B13R1.434 COc1c(cc(cc1S[13CH3])CO)F 62a_100020751559_200025704644 [0,1,0,0,0,0|0,1,2]=4 1557 B13R1.434 COc1c(cc(cc1S[13CH3])CO)F 62a_200025704644_100020751559 [0,1,0,0,0,0|0,1,2]=4 1558 B13R1.434 COc1cc(c(c(c1)N[13CH3])OC)Br 34a_100010294495_200025704644 [0,1,0,0,0,0|3,0,0]=4 1559 B13R1.434 COc1cc(c(c(c1)OC)N[13CH3])Cl 34a_100000041261_200025704644 [0,1,0,0,0,0|3,0,0]=4 1560 B13R1.434 COc1cc(c(c(c1)OC)OC)Br 34a_200020900881_200000210301 [0,1,0,0,0,0|2,0,0]=3 1561 B13R1.434 COc1cc(c(c(c1)OC)SC)F 62a_200000210301_200009812871 [0,1,0,0,0,0|2,1,0]=4 1562 B13R1.434 COc1cc(c(c(c1)OC)SC)F 62a_200009812871_200000210301 [0,1,0,0,0,0|2,1,0]=4 1563 B13R1.434 COc1cc(c(c(c1)OC)S[13CH3])F 62a_200009812871_200025704644 [0,1,0,0,0,0|2,1,0]=4 1564 B13R1.434 COc1cc(c(c(c1)OC)S[13CH3])F 62a_200025704644_200009812871 [0,1,0,0,0,0|2,1,0]=4 1565 B13R1.434 COc1cc(c(c(c1)O[13CH3])OC)Br 34a_200020900881_200025704644 [0,1,0,0,0,0|2,0,0]=3 1566 B13R1.434 COc1cc(c(c(c1)SC)OC)N 62a_100010294495_200000210301 [0,1,0,0,0,0|2,1,0]=4 1567 B13R1.434 COc1cc(c(c(c1)SC)OC)N 62a_200000210301_100010294495 [0,1,0,0,0,0|2,1,0]=4 1568 B13R1.434 COc1cc(c(c(c1)SC)OC)O 62a_200000210301_200020900881 [0,1,0,0,0,0|2,1,0]=4 1569 B13R1.434 COc1cc(c(c(c1)S[13CH3])OC)N 62a_100010294495_200025704644 [0,1,0,0,0,0|2,1,0]=4 1570 B13R1.434 COc1cc(c(c(c1)S[13CH3])OC)N 62a_200025704644_100010294495 [0,1,0,0,0,0|2,1,0]=4 1571 B13R1.434 COc1cc(c(c(c1)S[13CH3])OC)O 62a_200025704644_200020900881 [0,1,0,0,0,0|2,1,0]=4 1572 B13R1.434 COc1cc(cc(c1OC)Br)C#N 34a_100000188612_200000210301 [0,1,0,0,0,0|1,0,1]=3 1573 B13R1.434 COc1cc(cc(c1OC)Br)C#N 7a_100000188612_200000210301 [0,1,0,0,0,0|1,0,1]=3 1574 B13R1.434 COc1cc(cc(c1OC)C)C#N 34a_200009855753_200000210301 [0,1,0,0,0,0|1,0,1]=3 1575 B13R1.434 COc1cc(cc(c1OC)C)C#N 7a_200009855753_200000210301 [0,1,0,0,0,0|1,0,1]=3 1576 B13R1.434 COc1cc(cc(c1OC)Cl)C#N 34a_100000014776_200000210301 [0,1,0,0,0,0|1,0,1]=3 1577 B13R1.434 COc1cc(cc(c1OC)Cl)C#N 7a_100000014776_200000210301 [0,1,0,0,0,0|1,0,1]=3 1578 B13R1.434 COc1cc(cc(c1OC)Cl)CO 34a_200000246286_200000210301 [0,1,0,0,0,0|0,0,2]=3 1579 B13R1.434 COc1cc(cc(c1OC)I)C#N 7a_100000014777_200000210301 [0,1,0,0,0,0|1,0,1]=3 1580 B13R1.434 COc1cc(cc(c1OC)I)CO 34a_200000022573_200000210301 [0,1,0,0,0,0|0,0,2]=3 1581 B13R1.434 COc1cc(cc(c1OC)O)C#N 271570a_203496583355_100009812337 [0,1,0,0,0,0|1,0,1]=3 1582 B13R1.434 COc1cc(cc(c1OC)O)C=O 271570a_203496583355_100000188315 [0,1,0,0,0,0|0,0,0]=1 1583 B13R1.434 COc1cc(cc(c1OC)O)CO 271570a_203496583355_200000215730 [0,1,0,0,0,0|0,0,2]=3 1584 B13R1.434 COc1cc(cc(c1O[13CH3])Br)C#N 34a_100000188612_200025704644 [0,1,0,0,0,0|1,0,1]=3 1585 B13R1.434 COc1cc(cc(c1O[13CH3])Br)C#N 7a_100000188612_200025704644 [0,1,0,0,0,0|1,0,1]=3 1586 B13R1.434 COc1cc(cc(c1O[13CH3])C)C#N 34a_200009855753_200025704644 [0,1,0,0,0,0|1,0,1]=3 1587 B13R1.434 COc1cc(cc(c1O[13CH3])C)C#N 7a_200009855753_200025704644 [0,1,0,0,0,0|1,0,1]=3 1588 B13R1.434 COc1cc(cc(c1O[13CH3])Cl)C#N 34a_100000014776_200025704644 [0,1,0,0,0,0|1,0,1]=3 1589 B13R1.434 COc1cc(cc(c1O[13CH3])Cl)C#N 7a_100000014776_200025704644 [0,1,0,0,0,0|1,0,1]=3 1590 B13R1.434 COc1cc(cc(c1O[13CH3])Cl)CO 34a_200000246286_200025704644 [0,1,0,0,0,0|0,0,2]=3 1591 B13R1.434 COc1cc(cc(c1O[13CH3])I)C#N 7a_100000014777_200025704644 [0,1,0,0,0,0|1,0,1]=3 1592 B13R1.434 COc1cc(cc(c1O[13CH3])I)CO 34a_200000022573_200025704644 [0,1,0,0,0,0|0,0,2]=3 1593 B13R1.1249 C=C=Cc1ccc(cc1OC)C=O 271570a_100015277604_100010244714 [0,1,0,0,0,0|1,0,1]=3 1594 B13R1.1249 C=Cc1cc(ccc1OCC)C=O 271570a_100011290941_100000173028 [0,1,0,0,0,0|1,0,1]=3 1595 B13R1.1249 C=Cc1ccc(c(c1)C#N)OCC 271570a_100011290941_100000188824 [0,1,0,0,0,0|3,0,0]=4 1596 B13R1.1249 C=Cc1ccc(c(c1)C=O)OCC 271570a_100011290941_100000170027 [0,1,0,0,0,0|3,0,0]=4 1597 B13R1.1249 C=Cc1ccc(c(c1)CC)OCC 271570a_100011290941_200010070707 [0,1,0,0,0,0|2,0,0]=3 1598 B13R1.1249 C=Cc1ccc(c(c1)OC)CC#N 271570a_100011290941_100010245117 [0,1,0,0,0,0|2,0,1]=4 1599 B13R1.1249 C=Cc1ccc(c(c1)OC)CNC 26a_100102657272_100011217988 [0,1,0,0,0,0|2,0,0]=3 1600 B13R1.1249 C=Cc1ccc(c(c1)OC)OCC 271570a_100011290941_200012344064 [0,1,0,0,0,0|1,0,0]=2 1601 B13R1.1249 C=Cc1ccc(c(c1)OC)OCC 34a_100011217988_100000210202 [0,1,0,0,0,0|1,0,0]=2 1602 B13R1.1249 C=Cc1ccc(c(c1)OC)OCF 34a_100011217988_100015361967 [0,1,0,0,0,0|1,0,0]=2 1603 B13R1.1249 C=Cc1cnc(c(c1)OC)OCC 271570a_100011290941_200010116856 [0,1,0,0,0,0|2,0,0]=3 1604 B13R1.1249 CC=Cc1ccc(cc1C#N)C=O 271570a_100016259895_100010128726 [0,1,0,0,0,0|3,0,0]=4 1605 B13R1.1249 CC=Cc1ccc(cc1CO)C=O 271570a_100016259895_100015639582 [0,1,0,0,0,0|3,0,0]=4 1606 B13R1.1249 CC=Cc1ccc(cc1OC)C#N 271570a_100016259895_100012356288 [0,1,0,0,0,0|2,0,1]=4 1607 B13R1.1249 CC=Cc1ccc(cc1OC)C=O 271570a_100016259895_100010244714 [0,1,0,0,0,0|1,0,0]=2 1608 B13R1.1249 CC=Cc1ccc(cc1OC)CC 271570a_100016259895_200010710389 [0,1,0,0,0,0|2,0,1]=4 1609 B13R1.1249 CC=Cc1ccc(cc1OC)CO 271570a_100016259895_100010234685 [0,1,0,0,0,0|1,0,2]=4 1610 B13R1.1249 CC=Cc1ccc(cc1OC)OC 271570a_100016259895_100000750026 [0,1,0,0,0,0|3,0,0]=4 1611 B13R1.1249 CCNc1ccc(cc1OC)C#N 34a_100000701993_100000210202 [0,1,0,0,0,0|2,0,1]=4 1612 B13R1.1249 CCNc1ccc(cc1OC)CO 2230a_100000087641_100000210202 [0,1,0,0,0,0|1,0,2]=4 1613 B13R1.1249 CCNc1ccc(cc1OC)CO 34a_100000087641_100000210202 [0,1,0,0,0,0|1,0,2]=4 1614 B13R1.1249 CCNc1ccc(cc1OC)OC 2230a_100000211191_100000210202 [0,1,0,0,0,0|3,0,0]=4 1615 B13R1.1249 CCNc1ccc(cc1OC)OC 34a_100000211191_100000210202 [0,1,0,0,0,0|3,0,0]=4 1616 B13R1.1249 CCNc1ccc(cc1OC)SC 2230a_100000766855_100000210202 [0,1,0,0,0,0|3,0,0]=4 1617 B13R1.1249 CCNc1ccc(cc1OC)SC 34a_100000766855_100000210202 [0,1,0,0,0,0|3,0,0]=4 1618 B13R1.1249 CCOc1ccc(cc1CC)SC 62a_200000210301_200010070707 [0,1,0,0,0,0|3,0,0]=4 1619 B13R1.1249 CCOc1ccc(cc1CC)SC 62a_200010070707_200000210301 [0,1,0,0,0,0|3,0,0]=4 1620 B13R1.1249 CCOc1ccc(cc1CC)S[13CH3] 62a_200010070707_200025704644 [0,1,0,0,0,0|3,0,0]=4 1621 B13R1.1249 CCOc1ccc(cc1CC)S[13CH3] 62a_200025704644_200010070707 [0,1,0,0,0,0|3,0,0]=4 1622 B13R1.1249 CCOc1ccc(cc1OC)C#N 34a_100000184589_100000210202 [0,1,0,0,0,0|1,0,1]=3 1623 B13R1.1249 CCOc1ccc(cc1OC)C#N 7a_100000184589_100000210202 [0,1,0,0,0,0|1,0,1]=3 1624 B13R1.1249 CCOc1ccc(cc1OC)CC 34a_100000186467_100000210202 [0,1,0,0,0,0|1,0,1]=3 1625 B13R1.1249 CCOc1ccc(cc1OC)CC 7a_100000186467_100000210202 [0,1,0,0,0,0|1,0,1]=3 1626 B13R1.1249 CCOc1ccc(cc1OC)CN 34a_100000185554_100000210202 [0,1,0,0,0,0|1,0,1]=3 1627 B13R1.1249 CCOc1ccc(cc1OC)NC 2230a_100000184985_200000210301 [0,1,0,0,0,0|2,0,0]=3 1628 B13R1.1249 CCOc1ccc(cc1OC)NC 34a_100000184985_200000210301 [0,1,0,0,0,0|2,0,0]=3 1629 B13R1.1249 CCOc1ccc(cc1OC)N[13CH3] 2230a_100000184985_200025704644 [0,1,0,0,0,0|2,0,0]=3 1630 B13R1.1249 CCOc1ccc(cc1OC)N[13CH3] 34a_100000184985_200025704644 [0,1,0,0,0,0|2,0,0]=3 1631 B13R1.1249 CCOc1ccc(cc1OC)OC 34a_100009840267_100000210202 [0,1,0,0,0,0|2,0,0]=3 1632 B13R1.1249 CCOc1ccc(cc1SC)C#N 62a_200000210301_100000189309 [0,1,0,0,0,0|1,1,1]=4 1633 B13R1.1249 CCOc1ccc(cc1SC)C=O 62a_100000173028_200000210301 [0,1,0,0,0,0|0,1,0]=2 1634 B13R1.1249 CCOc1ccc(cc1SC)C=O 62a_200000210301_100000173028 [0,1,0,0,0,0|0,1,0]=2 1635 B13R1.1249 CCOc1ccc(cc1SC)CO 62a_200000210301_200011800839 [0,1,0,0,0,0|0,1,2]=4 1636 B13R1.1249 CCOc1ccc(cc1SC)CO 62a_200011800839_200000210301 [0,1,0,0,0,0|0,1,2]=4 1637 B13R1.1249 CCOc1ccc(cc1S[13CH3])C#N 62a_200025704644_100000189309 [0,1,0,0,0,0|1,1,1]=4 1638 B13R1.1249 CCOc1ccc(cc1S[13CH3])C=O 62a_100000173028_200025704644 [0,1,0,0,0,0|0,1,0]=2 1639 B13R1.1249 CCOc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000173028 [0,1,0,0,0,0|0,1,0]=2 1640 B13R1.1249 CCOc1ccc(cc1S[13CH3])CO 62a_200011800839_200025704644 [0,1,0,0,0,0|0,1,2]=4 1641 B13R1.1249 CCOc1ccc(cc1S[13CH3])CO 62a_200025704644_200011800839 [0,1,0,0,0,0|0,1,2]=4 1642 B13R1.1249 CCOc1ccc(nc1OC)OC 34a_100000085135_100000210202 [0,1,0,0,0,0|3,0,0]=4 1643 B13R1.1249 CCOc1ncc(cc1OC)SC 62a_200000210301_200010116856 [0,1,0,0,0,0|3,0,0]=4 1644 B13R1.1249 CCOc1ncc(cc1OC)S[13CH3] 62a_200025704644_200010116856 [0,1,0,0,0,0|3,0,0]=4 1645 B13R1.1249 CCSc1ccc(cc1C#N)C=O 62a_100000210202_100010128726 [0,1,0,0,0,0|2,1,0]=4 1646 B13R1.1249 CCSc1ccc(cc1CO)C=O 62a_100000210202_100015639582 [0,1,0,0,0,0|2,1,0]=4 1647 B13R1.1249 CCSc1ccc(cc1CO)C=O 62a_100015639582_100000210202 [0,1,0,0,0,0|2,1,0]=4 1648 B13R1.1249 CCSc1ccc(cc1OC)C#N 62a_100000210202_100012356288 [0,1,0,0,0,0|1,1,1]=4 1649 B13R1.1249 CCSc1ccc(cc1OC)C=O 62a_100000210202_100010244714 [0,1,0,0,0,0|0,1,0]=2 1650 B13R1.1249 CCSc1ccc(cc1OC)C=O 62a_100010244714_100000210202 [0,1,0,0,0,0|0,1,0]=2 1651 B13R1.1249 CCSc1ccc(cc1OC)CC 62a_100000210202_200010710389 [0,1,0,0,0,0|1,1,1]=4 1652 B13R1.1249 CCSc1ccc(cc1OC)CC 62a_200010710389_100000210202 [0,1,0,0,0,0|1,1,1]=4 1653 B13R1.1249 CCSc1ccc(cc1OC)CO 62a_100000210202_100010234685 [0,1,0,0,0,0|0,1,2]=4 1654 B13R1.1249 CCSc1ccc(cc1OC)CO 62a_100010234685_100000210202 [0,1,0,0,0,0|0,1,2]=4 1655 B13R1.1249 CCSc1ccc(cc1OC)OC 62a_100000210202_100000750026 [0,1,0,0,0,0|2,1,0]=4 1656 B13R1.1249 CCSc1ccc(cc1OC)OC 62a_100000750026_100000210202 [0,1,0,0,0,0|2,1,0]=4 1657 B13R1.1249 CCc1ccc(c(c1)OC)CNC 26a_100102657272_100000186467 [0,1,0,0,0,0|2,0,1]=4 1658 B13R1.1249 CCc1ccc(c(c1)OC)OCF 34a_100000186467_100015361967 [0,1,0,0,0,0|1,0,1]=3 1659 B13R1.1249 CCc1ccc(c(c1)OC)OCF 7a_100000186467_100015361967 [0,1,0,0,0,0|1,0,1]=3 1660 B13R1.1249 CCc1ccc(c(c1)OC)SCF 62a_100015361967_200010710389 [0,1,0,0,0,0|1,1,1]=4 1661 B13R1.1249 CCc1ccc(c(c1)OC)SCF 62a_200010710389_100015361967 [0,1,0,0,0,0|1,1,1]=4 1662 B13R1.1249 CNCc1ccc(cc1OC)C#N 207a_100102657272_100000050422 [0,1,0,0,0,0|2,0,1]=4 1663 B13R1.1249 CNCc1ccc(cc1OC)C#N 26a_100102657272_100000184589 [0,1,0,0,0,0|2,0,1]=4 1664 B13R1.1249 CNCc1ccc(cc1OC)C#N 270004a_106832991635_100000050422 [0,1,0,0,0,0|2,0,1]=4 1665 B13R1.1249 CNCc1ccc(cc1OC)CO 26a_100102657272_100000181344 [0,1,0,0,0,0|1,0,2]=4 1666 B13R1.1249 CNCc1ccc(cc1OC)OC 207a_100102657272_100000188320 [0,1,0,0,0,0|3,0,0]=4 1667 B13R1.1249 CNCc1ccc(cc1OC)OC 26a_100102657272_100009840267 [0,1,0,0,0,0|3,0,0]=4 1668 B13R1.1249 CNCc1ccc(cc1OC)OC 270004a_106832991635_100000188320 [0,1,0,0,0,0|3,0,0]=4 1669 B13R1.1249 CNCc1ccc(cc1OC)OC 34a_100000737765_200000210301 [0,1,0,0,0,0|3,0,0]=4 1670 B13R1.1249 COCc1ccc(cc1OC)C#N 34a_100000102359_200000210301 [0,1,0,0,0,0|1,0,1]=3 1671 B13R1.1249 COCc1ccc(cc1OC)C#N 7a_100000102359_200000210301 [0,1,0,0,0,0|1,0,1]=3 1672 B13R1.1249 COCc1ccc(cc1OC)OC 34a_100011218031_200000210301 [0,1,0,0,0,0|2,0,0]=3 1673 B13R1.1249 COCc1ccc(cc1OC)OC 7a_100011218031_200000210301 [0,1,0,0,0,0|2,0,0]=3 1674 B13R1.1249 COc1cc(ccc1CO[13CH3])C#N 34a_100000102359_200025704644 [0,1,0,0,0,0|1,0,1]=3 1675 B13R1.1249 COc1cc(ccc1CO[13CH3])C#N 7a_100000102359_200025704644 [0,1,0,0,0,0|1,0,1]=3 1676 B13R1.1249 COc1cc(ccc1NCF)C#N 34a_100000701993_100015361967 [0,1,0,0,0,0|2,0,1]=4 1677 B13R1.1249 COc1cc(ccc1NCF)CO 34a_100000087641_100015361967 [0,1,0,0,0,0|1,0,2]=4 1678 B13R1.1249 COc1cc(ccc1NCF)SC 34a_100000766855_100015361967 [0,1,0,0,0,0|3,0,0]=4 1679 B13R1.1249 COc1cc(ccc1OCF)C#N 34a_100000184589_100015361967 [0,1,0,0,0,0|1,0,1]=3 1680 B13R1.1249 COc1cc(ccc1OCF)C#N 7a_100000184589_100015361967 [0,1,0,0,0,0|1,0,1]=3 1681 B13R1.1249 COc1cc(ccc1OCF)CN 34a_100000185554_100015361967 [0,1,0,0,0,0|1,0,1]=3 1682 B13R1.1249 COc1cc(ccc1SCF)C#N 62a_100015361967_100012356288 [0,1,0,0,0,0|1,1,1]=4 1683 B13R1.1249 COc1cc(ccc1SCF)C=O 62a_100010244714_100015361967 [0,1,0,0,0,0|0,1,0]=2 1684 B13R1.1249 COc1cc(ccc1SCF)C=O 62a_100015361967_100010244714 [0,1,0,0,0,0|0,1,0]=2 1685 B13R1.1249 COc1cc(ccc1SCF)CO 62a_100010234685_100015361967 [0,1,0,0,0,0|0,1,2]=4 1686 B13R1.1249 COc1cc(ccc1SCF)CO 62a_100015361967_100010234685 [0,1,0,0,0,0|0,1,2]=4 1687 B13R1.1249 COc1ccc(c(c1)OC)CN[13CH3] 34a_100000737765_200025704644 [0,1,0,0,0,0|3,0,0]=4 1688 B13R1.1249 COc1ccc(c(c1)OC)CO[13CH3] 34a_100011218031_200025704644 [0,1,0,0,0,0|2,0,0]=3 1689 B13R1.1249 COc1ccc(c(c1)OC)CO[13CH3] 7a_100011218031_200025704644 [0,1,0,0,0,0|2,0,0]=3 1690 B13R1.1249 COc1ccc(c(c1)OC)NCF 34a_100000211191_100015361967 [0,1,0,0,0,0|3,0,0]=4 1691 B13R1.1249 COc1ccc(c(c1)OC)OCF 34a_100009840267_100015361967 [0,1,0,0,0,0|2,0,0]=3 1692 B13R1.1249 COc1ccc(c(c1)OC)SCF 62a_100000750026_100015361967 [0,1,0,0,0,0|2,1,0]=4 1693 B13R1.1249 COc1ccc(c(c1)OC)SCF 62a_100015361967_100000750026 [0,1,0,0,0,0|2,1,0]=4 1694 B13R1.1249 COc1ccc(c(n1)OC)OCF 34a_100000085135_100015361967 [0,1,0,0,0,0|3,0,0]=4 1695 B13R1.1249 N#Cc1cc(ccc1SCF)C=O 62a_100015361967_100010128726 [0,1,0,0,0,0|2,1,0]=4 1696 B13R1.1249 O=Cc1ccc(c(c1)CO)SCF 62a_100015361967_100015639582 [0,1,0,0,0,0|2,1,0]=4 1697 B13R1.1249 O=Cc1ccc(c(c1)CO)SCF 62a_100015639582_100015361967 [0,1,0,0,0,0|2,1,0]=4 1698 B13R1.2200 C=Cc1cc(c(cc1F)OC)OC 271570a_100011290941_200011765842 [0,1,0,0,0,0|1,0,0]=2 1699 B13R1.2200 C=Cc1cc(c(cc1OC)C=O)F 271570a_100011290941_100000695681 [0,1,0,0,0,0|1,0,1]=3 1700 B13R1.2200 C=Cc1cc(c(cc1OC)C=O)O 271570a_100011290941_100010762608 [0,1,0,0,0,0|1,0,1]=3 1701 B13R1.2200 C=Cc1cc(c(cc1OC)F)C=O 271570a_100011290941_100010244998 [0,1,0,0,0,0|1,0,1]=3 1702 B13R1.2200 C=Cc1cc(c(cc1OC)O)C=O 271570a_100011290941_100009998278 [0,1,0,0,0,0|1,0,1]=3 1703 B13R1.2200 C=Cc1nc(c(cc1C)OC)OC 271570a_100011290941_200011016175 [0,1,0,0,0,0|2,0,0]=3 1704 B13R1.2200 CCc1cc(c(cc1C)OC)OC 34a_200010661296_200000210301 [0,1,0,0,0,0|1,0,1]=3 1705 B13R1.2200 CCc1cc(c(cc1C)OC)OC 7a_200010661296_200000210301 [0,1,0,0,0,0|1,0,1]=3 1706 B13R1.2200 CCc1cc(c(cc1C)OC)O[13CH3] 34a_200010661296_200025704644 [0,1,0,0,0,0|1,0,1]=3 1707 B13R1.2200 CCc1cc(c(cc1C)OC)O[13CH3] 7a_200010661296_200025704644 [0,1,0,0,0,0|1,0,1]=3 1708 B13R1.2200 CCc1cc(c(cc1F)OC)OC 34a_100000070332_200000210301 [0,1,0,0,0,0|1,0,1]=3 1709 B13R1.2200 CCc1cc(c(cc1F)OC)OC 7a_100000070332_200000210301 [0,1,0,0,0,0|1,0,1]=3 1710 B13R1.2200 CCc1cc(c(cc1F)O[13CH3])OC 34a_100000070332_200025704644 [0,1,0,0,0,0|1,0,1]=3 1711 B13R1.2200 CCc1cc(c(cc1F)O[13CH3])OC 7a_100000070332_200025704644 [0,1,0,0,0,0|1,0,1]=3 1712 B13R1.2200 CNc1cc(c(cc1C)OC)OC 34a_100000183460_200000210301 [0,1,0,0,0,0|2,0,0]=3 1713 B13R1.2200 CNc1cc(c(cc1F)OC)OC 34a_100000753170_200000210301 [0,1,0,0,0,0|2,0,0]=3 1714 B13R1.2200 CNc1cc(c(cc1OC)C#N)F 34a_200010892158_200000210301 [0,1,0,0,0,0|2,0,1]=4 1715 B13R1.2200 CNc1cc(c(cc1OC)C#N)F 7a_200010892158_200000210301 [0,1,0,0,0,0|2,0,1]=4 1716 B13R1.2200 CNc1cc(c(cc1OC)Cl)OC 2230a_100000179761_200000210301 [0,1,0,0,0,0|3,0,0]=4 1717 B13R1.2200 CNc1cc(c(cc1OC)Cl)OC 34a_100000179761_200000210301 [0,1,0,0,0,0|3,0,0]=4 1718 B13R1.2200 CNc1cc(c(cc1OC)OC)Cl 2230a_100000212179_200000210301 [0,1,0,0,0,0|3,0,0]=4 1719 B13R1.2200 CNc1cc(c(cc1OC)OC)Cl 34a_100000212179_200000210301 [0,1,0,0,0,0|3,0,0]=4 1720 B13R1.2200 CNc1cc(c(cc1OC)OC)F 2230a_100000762594_200000210301 [0,1,0,0,0,0|3,0,0]=4 1721 B13R1.2200 CNc1cc(c(cc1OC)OC)F 34a_100000762594_200000210301 [0,1,0,0,0,0|3,0,0]=4 1722 B13R1.2200 COc1cc(c(cc1Br)OC)OC 34a_100009816818_200000210301 [0,1,0,0,0,0|2,0,0]=3 1723 B13R1.2200 COc1cc(c(cc1Br)OC)OC 7a_100009816818_200000210301 [0,1,0,0,0,0|2,0,0]=3 1724 B13R1.2200 COc1cc(c(cc1Br)OC)O[13CH3] 34a_100009816818_200025704644 [0,1,0,0,0,0|2,0,0]=3 1725 B13R1.2200 COc1cc(c(cc1Br)OC)O[13CH3] 7a_100009816818_200025704644 [0,1,0,0,0,0|2,0,0]=3 1726 B13R1.2200 COc1cc(c(cc1Br)OC)SC 62a_100013799044_200000210301 [0,1,0,0,0,0|2,1,0]=4 1727 B13R1.2200 COc1cc(c(cc1Br)OC)SC 62a_200000210301_100013799044 [0,1,0,0,0,0|2,1,0]=4 1728 B13R1.2200 COc1cc(c(cc1Br)OC)S[13CH3] 62a_100013799044_200025704644 [0,1,0,0,0,0|2,1,0]=4 1729 B13R1.2200 COc1cc(c(cc1Br)OC)S[13CH3] 62a_200025704644_100013799044 [0,1,0,0,0,0|2,1,0]=4 1730 B13R1.2200 COc1cc(c(cc1C)OC)SC 62a_100000039368_200000210301 [0,1,0,0,0,0|2,1,0]=4 1731 B13R1.2200 COc1cc(c(cc1C)OC)SC 62a_200000210301_100000039368 [0,1,0,0,0,0|2,1,0]=4 1732 B13R1.2200 COc1cc(c(cc1C)OC)S[13CH3] 62a_100000039368_200025704644 [0,1,0,0,0,0|2,1,0]=4 1733 B13R1.2200 COc1cc(c(cc1C)OC)S[13CH3] 62a_200025704644_100000039368 [0,1,0,0,0,0|2,1,0]=4 1734 B13R1.2200 COc1cc(c(cc1Cl)N[13CH3])OC 2230a_100000212179_200025704644 [0,1,0,0,0,0|3,0,0]=4 1735 B13R1.2200 COc1cc(c(cc1Cl)N[13CH3])OC 34a_100000212179_200025704644 [0,1,0,0,0,0|3,0,0]=4 1736 B13R1.2200 COc1cc(c(cc1Cl)OC)N[13CH3] 2230a_100000179761_200025704644 [0,1,0,0,0,0|3,0,0]=4 1737 B13R1.2200 COc1cc(c(cc1Cl)OC)N[13CH3] 34a_100000179761_200025704644 [0,1,0,0,0,0|3,0,0]=4 1738 B13R1.2200 COc1cc(c(cc1Cl)OC)SC 62a_100000023288_200000210301 [0,1,0,0,0,0|2,1,0]=4 1739 B13R1.2200 COc1cc(c(cc1Cl)OC)SC 62a_200000210301_100000023288 [0,1,0,0,0,0|2,1,0]=4 1740 B13R1.2200 COc1cc(c(cc1Cl)OC)S[13CH3] 62a_100000023288_200025704644 [0,1,0,0,0,0|2,1,0]=4 1741 B13R1.2200 COc1cc(c(cc1Cl)OC)S[13CH3] 62a_200025704644_100000023288 [0,1,0,0,0,0|2,1,0]=4 1742 B13R1.2200 COc1cc(c(cc1F)N[13CH3])OC 2230a_100000762594_200025704644 [0,1,0,0,0,0|3,0,0]=4 1743 B13R1.2200 COc1cc(c(cc1F)N[13CH3])OC 34a_100000762594_200025704644 [0,1,0,0,0,0|3,0,0]=4 1744 B13R1.2200 COc1cc(c(cc1F)SC)OC 62a_100010141368_200000210301 [0,1,0,0,0,0|2,1,0]=4 1745 B13R1.2200 COc1cc(c(cc1F)SC)OC 62a_200000210301_100010141368 [0,1,0,0,0,0|2,1,0]=4 1746 B13R1.2200 COc1cc(c(cc1F)S[13CH3])OC 62a_100010141368_200025704644 [0,1,0,0,0,0|2,1,0]=4 1747 B13R1.2200 COc1cc(c(cc1F)S[13CH3])OC 62a_200025704644_100010141368 [0,1,0,0,0,0|2,1,0]=4 1748 B13R1.2200 COc1cc(c(cc1N[13CH3])F)C#N 34a_200010892158_200025704644 [0,1,0,0,0,0|2,0,1]=4 1749 B13R1.2200 COc1cc(c(cc1N[13CH3])F)C#N 7a_200010892158_200025704644 [0,1,0,0,0,0|2,0,1]=4 1750 B13R1.2200 COc1cc(c(cc1O)OC)OC 271570a_203496583355_100000050122 [0,1,0,0,0,0|2,0,0]=3 1751 B13R1.2200 COc1cc(c(cc1OC)C#N)O 271570a_203496583355_100000188247 [0,1,0,0,0,0|1,0,1]=3 1752 B13R1.2200 COc1cc(c(cc1OC)C=O)O 271570a_203496583355_100000170863 [0,1,0,0,0,0|0,0,0]=1 1753 B13R1.2200 COc1cc(c(cc1OC)CO)O 271570a_203496583355_200000246283 [0,1,0,0,0,0|0,0,2]=3 1754 B13R1.2200 COc1cc(c(cc1OC)N[13CH3])C 34a_100000183460_200025704644 [0,1,0,0,0,0|2,0,0]=3 1755 B13R1.2200 COc1cc(c(cc1OC)N[13CH3])F 34a_100000753170_200025704644 [0,1,0,0,0,0|2,0,0]=3 1756 B13R1.2200 COc1cc(c(cc1OC)SC)F 62a_200011765842_200000210301 [0,1,0,0,0,0|2,0,0]=3 1757 B13R1.2200 COc1cc(c(cc1OC)S[13CH3])F 62a_200011765842_200025704644 [0,1,0,0,0,0|2,0,0]=3 1758 B13R1.2200 COc1cc(c(cc1SC)C=O)F 62a_100010244998_200000210301 [0,1,0,0,0,0|0,1,0]=2 1759 B13R1.2200 COc1cc(c(cc1SC)C=O)F 62a_200000210301_100010244998 [0,1,0,0,0,0|0,1,0]=2 1760 B13R1.2200 COc1cc(c(cc1SC)C=O)O 62a_200000210301_100009998278 [0,1,0,0,0,0|0,1,0]=2 1761 B13R1.2200 COc1cc(c(cc1SC)F)C=O 62a_100000695681_200000210301 [0,1,0,0,0,0|0,1,0]=2 1762 B13R1.2200 COc1cc(c(cc1SC)F)C=O 62a_200000210301_100000695681 [0,1,0,0,0,0|0,1,0]=2 1763 B13R1.2200 COc1cc(c(cc1SC)O)C=O 62a_100010762608_200000210301 [0,1,0,0,0,0|0,1,0]=2 1764 B13R1.2200 COc1cc(c(cc1SC)O)C=O 62a_200000210301_100010762608 [0,1,0,0,0,0|0,1,0]=2 1765 B13R1.2200 COc1cc(c(cc1S[13CH3])C=O)F 62a_100010244998_200025704644 [0,1,0,0,0,0|0,1,0]=2 1766 B13R1.2200 COc1cc(c(cc1S[13CH3])C=O)F 62a_200025704644_100010244998 [0,1,0,0,0,0|0,1,0]=2 1767 B13R1.2200 COc1cc(c(cc1S[13CH3])C=O)O 62a_200025704644_100009998278 [0,1,0,0,0,0|0,1,0]=2 1768 B13R1.2200 COc1cc(c(cc1S[13CH3])F)C=O 62a_100000695681_200025704644 [0,1,0,0,0,0|0,1,0]=2 1769 B13R1.2200 COc1cc(c(cc1S[13CH3])F)C=O 62a_200025704644_100000695681 [0,1,0,0,0,0|0,1,0]=2 1770 B13R1.2200 COc1cc(c(cc1S[13CH3])O)C=O 62a_100010762608_200025704644 [0,1,0,0,0,0|0,1,0]=2 1771 B13R1.2200 COc1cc(c(cc1S[13CH3])O)C=O 62a_200025704644_100010762608 [0,1,0,0,0,0|0,1,0]=2 1772 B13R1.2200 COc1cc(c(nc1OC)SC)C 62a_200000210301_200011016175 [0,1,0,0,0,0|3,0,0]=4 1773 B13R1.2200 COc1cc(c(nc1OC)S[13CH3])C 62a_200025704644_200011016175 [0,1,0,0,0,0|3,0,0]=4 1774 B13R1.2422 C=Cc1ccc(c(c1C)OC)OC 271570a_100011290941_100010000156 [0,1,0,0,0,0|1,0,0]=2 1775 B13R1.2422 C=Cc1ccc(c(c1F)C=O)OC 271570a_100011290941_100010202131 [0,1,0,0,0,0|3,0,0]=4 1776 B13R1.2422 C=Cc1ccc(c(c1F)OC)C#N 271570a_100011290941_200010764283 [0,1,0,0,0,0|3,0,0]=4 1777 B13R1.2422 C=Cc1ccc(c(c1OC)F)C=O 271570a_100011290941_200010981996 [0,1,0,0,0,0|1,0,1]=3 1778 B13R1.2422 CNc1ccc(c(c1OC)F)C#N 27a_100102657272_200010764284 [0,1,0,0,0,0|2,0,1]=4 1779 B13R1.2422 CNc1ccc(c(c1OC)F)OC 34a_100000070076_200000210301 [0,1,0,0,0,0|3,0,0]=4 1780 B13R1.2422 COc1c(ccc(c1F)C#N)SC 62a_200000210301_200010764284 [0,1,0,0,0,0|1,1,1]=4 1781 B13R1.2422 COc1c(ccc(c1F)C#N)S[13CH3] 62a_200025704644_200010764284 [0,1,0,0,0,0|1,1,1]=4 1782 B13R1.2422 COc1c(ccc(c1F)C=O)SC 62a_200000210301_200010981996 [0,1,0,0,0,0|0,1,0]=2 1783 B13R1.2422 COc1c(ccc(c1F)C=O)SC 62a_200010981996_200000210301 [0,1,0,0,0,0|0,1,0]=2 1784 B13R1.2422 COc1c(ccc(c1F)C=O)S[13CH3] 62a_200010981996_200025704644 [0,1,0,0,0,0|0,1,0]=2 1785 B13R1.2422 COc1c(ccc(c1F)C=O)S[13CH3] 62a_200025704644_200010981996 [0,1,0,0,0,0|0,1,0]=2 1786 B13R1.2422 COc1ccc(c(c1C)OC)SC 62a_100010234078_200000210301 [0,1,0,0,0,0|2,1,0]=4 1787 B13R1.2422 COc1ccc(c(c1C)OC)SC 62a_200000210301_100010234078 [0,1,0,0,0,0|2,1,0]=4 1788 B13R1.2422 COc1ccc(c(c1C)OC)S[13CH3] 62a_100010234078_200025704644 [0,1,0,0,0,0|2,1,0]=4 1789 B13R1.2422 COc1ccc(c(c1C)OC)S[13CH3] 62a_200025704644_100010234078 [0,1,0,0,0,0|2,1,0]=4 1790 B13R1.2422 COc1ccc(c(c1F)OC)N[13CH3] 34a_100000070076_200025704644 [0,1,0,0,0,0|3,0,0]=4 1791 B13R1.2422 COc1ccc(c(c1F)OC)SC 62a_200000210301_200010341284 [0,1,0,0,0,0|2,1,0]=4 1792 B13R1.2422 COc1ccc(c(c1F)OC)SC 62a_200010341284_200000210301 [0,1,0,0,0,0|2,1,0]=4 1793 B13R1.2422 COc1ccc(c(c1F)OC)S[13CH3] 62a_200010341284_200025704644 [0,1,0,0,0,0|2,1,0]=4 1794 B13R1.2422 COc1ccc(c(c1F)OC)S[13CH3] 62a_200025704644_200010341284 [0,1,0,0,0,0|2,1,0]=4 1795 B13R1.2422 COc1ccc(c(c1F)SC)OC 62a_200000210301_200016180952 [0,1,0,0,0,0|2,1,0]=4 1796 B13R1.2422 COc1ccc(c(c1F)SC)OC 62a_200016180952_200000210301 [0,1,0,0,0,0|2,1,0]=4 1797 B13R1.2422 COc1ccc(c(c1F)S[13CH3])OC 62a_200016180952_200025704644 [0,1,0,0,0,0|2,1,0]=4 1798 B13R1.2422 COc1ccc(c(c1F)S[13CH3])OC 62a_200025704644_200016180952 [0,1,0,0,0,0|2,1,0]=4 1799 B13R1.2422 COc1ccc(c(c1OC)C)SC 62a_200000210301_100010000156 [0,1,0,0,0,0|2,0,0]=3 1800 B13R1.2422 COc1ccc(c(c1OC)C)S[13CH3] 62a_200025704644_100010000156 [0,1,0,0,0,0|2,0,0]=3 1801 B13R1.2422 COc1ccc(c(c1OC)O)C=O 271570a_203496583355_100009814707 [0,1,0,0,0,0|0,0,0]=1 1802 B13R1.2422 COc1ccc(c(c1SC)O)C=O 62a_200000210301_100016072024 [0,1,0,0,0,0|0,1,0]=2 1803 B13R1.2422 COc1ccc(c(c1S[13CH3])O)C=O 62a_200025704644_100016072024 [0,1,0,0,0,0|0,1,0]=2 1804 B13R1.2430 C=C(C)c1cc(ccc1C#N)C=O 271570a_100000694244_100012355660 [0,1,0,0,0,0|3,0,0]=4 1805 B13R1.2430 C=C(C)c1cc(ccc1C=O)C=O 271570a_100000694244_100015597013 [0,1,0,0,0,0|3,0,0]=4 1806 B13R1.2430 C=C(C)c1cc(ccc1NC)C=O 271570a_100000694244_200010290468 [0,1,0,0,0,0|2,0,0]=3 1807 B13R1.2430 C=C(C)c1cc(ccc1OC)C#N 271570a_100000694244_100000188253 [0,1,0,0,0,0|2,0,1]=4 1808 B13R1.2430 C=C(C)c1cc(ccc1OC)C=O 271570a_100000694244_100000173361 [0,1,0,0,0,0|1,0,0]=2 1809 B13R1.2430 C=C(C)c1cc(ccc1OC)CC 271570a_100000694244_100010062400 [0,1,0,0,0,0|2,0,1]=4 1810 B13R1.2430 C=C(C)c1cc(ccc1OC)CN 271570a_100000694244_100159240714 [0,1,0,0,0,0|2,0,1]=4 1811 B13R1.2430 C=C(C)c1cc(ccc1OC)CO 271570a_100000694244_100000246451 [0,1,0,0,0,0|1,0,2]=4 1812 B13R1.2430 C=C(C)c1cc(ccc1OC)NC 271570a_100000694244_114948341033 [0,1,0,0,0,0|3,0,0]=4 1813 B13R1.2430 C=C(C)c1cc(ccc1OC)OC 271570a_100000694244_100011215452 [0,1,0,0,0,0|3,0,0]=4 1814 B13R1.2430 C=C(C)c1cc(cnc1OC)C=O 271570a_100000694244_200010064893 [0,1,0,0,0,0|2,0,0]=3 1815 B13R1.2430 C=C(C)c1cc(ncc1OC)C=O 271570a_100000694244_100010893078 [0,1,0,0,0,0|2,0,0]=3 1816 B13R1.2430 C=C(C)c1nc(ccc1OC)C=O 271570a_100000694244_100010174741 [0,1,0,0,0,0|2,0,0]=3 1817 B13R1.2430 C=Cc1ccc(c(c1)B(O)O)OC 271570a_100011290941_100009813459 [0,1,0,0,0,0|3,0,0]=4 1818 B13R1.2430 C=Cc1ccc(c(c1)C(=O)C)OC 271570a_100011290941_100000173343 [0,1,0,0,0,0|2,0,0]=3 1819 B13R1.2430 C=Cc1ccc(c(c1)C(F)F)OC 271570a_100011290941_100010146105 [0,1,0,0,0,0|3,0,0]=4 1820 B13R1.2430 C=Cc1cnc(c(c1)C(=O)C)OC 271570a_100011290941_100010135678 [0,1,0,0,0,0|3,0,0]=4 1821 B13R1.2430 CC(=O)c1cc(ccc1O[13CH3])C#N 34a_100000074817_200025704644 [0,1,0,0,0,0|2,0,1]=4 1822 B13R1.2430 CC(=O)c1cc(ccc1O[13CH3])C#N 7a_100000074817_200025704644 [0,1,0,0,0,0|2,0,1]=4 1823 B13R1.2430 CCc1ccc(c(c1)C(=O)C)OC 34a_100000230022_200000210301 [0,1,0,0,0,0|2,0,1]=4 1824 B13R1.2430 CCc1ccc(c(c1)C(=O)C)OC 7a_100000230022_200000210301 [0,1,0,0,0,0|2,0,1]=4 1825 B13R1.2430 CCc1ccc(c(c1)C(=O)C)O[13CH3] 34a_100000230022_200025704644 [0,1,0,0,0,0|2,0,1]=4 1826 B13R1.2430 CCc1ccc(c(c1)C(=O)C)O[13CH3] 7a_100000230022_200025704644 [0,1,0,0,0,0|2,0,1]=4 1827 B13R1.2430 CNc1ccc(c(c1)C(C)C)OC 2230a_100025764739_200000210301 [0,1,0,0,0,0|3,0,0]=4 1828 B13R1.2430 CNc1ccc(c(c1)C(C)C)OC 34a_100025764739_200000210301 [0,1,0,0,0,0|3,0,0]=4 1829 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 1458a_100000185243_200000210301 [0,1,0,0,0,0|3,0,0]=4 1830 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 34a_100000081070_200000210301 [0,1,0,0,0,0|3,0,0]=4 1831 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 34a_100000211518_200000210301 [0,1,0,0,0,0|3,0,0]=4 1832 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 7a_100000081070_200000210301 [0,1,0,0,0,0|3,0,0]=4 1833 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 7a_100000211518_200000210301 [0,1,0,0,0,0|3,0,0]=4 1834 B13R1.2430 COc1ccc(c(c1)C(=O)C)O[13CH3] 34a_100000211518_200025704644 [0,1,0,0,0,0|3,0,0]=4 1835 B13R1.2430 COc1ccc(c(c1)C(=O)C)O[13CH3] 7a_100000211518_200025704644 [0,1,0,0,0,0|3,0,0]=4 1836 B13R1.2430 COc1ccc(c(c1)C(=O)[13CH3])OC 1458a_100000185243_200025704644 [0,1,0,0,0,0|3,0,0]=4 1837 B13R1.2430 COc1ccc(c(c1)C(C)C)OC 34a_100011998526_200000210301 [0,1,0,0,0,0|3,0,0]=4 1838 B13R1.2430 COc1ccc(c(c1)C(C)C)OC 7a_100011998526_200000210301 [0,1,0,0,0,0|3,0,0]=4 1839 B13R1.2430 COc1ccc(c(c1)C(C)C)O[13CH3] 34a_100011998526_200025704644 [0,1,0,0,0,0|3,0,0]=4 1840 B13R1.2430 COc1ccc(c(c1)C(C)C)O[13CH3] 7a_100011998526_200025704644 [0,1,0,0,0,0|3,0,0]=4 1841 B13R1.2430 COc1ccc(c(c1)N(C)C)OC 2230a_100000221073_200000210301 [0,1,0,0,0,0|3,0,0]=4 1842 B13R1.2430 COc1ccc(c(c1)N(C)C)OC 269982a_100000221073_200000210301 [0,1,0,0,0,0|3,0,0]=4 1843 B13R1.2430 COc1ccc(c(c1)N(C)C)OC 34a_100000221073_200000210301 [0,1,0,0,0,0|3,0,0]=4 1844 B13R1.2430 COc1ccc(c(c1)N(C)[13CH3])OC 2230a_100000221073_200025704644 [0,1,0,0,0,0|3,0,0]=4 1845 B13R1.2430 COc1ccc(c(c1)N(C)[13CH3])OC 269982a_100000221073_200025704644 [0,1,0,0,0,0|3,0,0]=4 1846 B13R1.2430 COc1ccc(c(c1)N(C)[13CH3])OC 34a_100000221073_200025704644 [0,1,0,0,0,0|3,0,0]=4 1847 B13R1.2430 COc1ccc(cc1C(=O)C)C#N 1458a_100009859923_200000210301 [0,1,0,0,0,0|2,0,1]=4 1848 B13R1.2430 COc1ccc(cc1C(=O)C)C#N 34a_100000074817_200000210301 [0,1,0,0,0,0|2,0,1]=4 1849 B13R1.2430 COc1ccc(cc1C(=O)C)C#N 7a_100000074817_200000210301 [0,1,0,0,0,0|2,0,1]=4 1850 B13R1.2430 COc1ccc(cc1C(=O)C)O[13CH3] 34a_100000081070_200025704644 [0,1,0,0,0,0|3,0,0]=4 1851 B13R1.2430 COc1ccc(cc1C(=O)C)O[13CH3] 7a_100000081070_200025704644 [0,1,0,0,0,0|3,0,0]=4 1852 B13R1.2430 COc1ccc(cc1C(=O)C)SC 62a_100000173343_200000210301 [0,1,0,0,0,0|3,0,0]=4 1853 B13R1.2430 COc1ccc(cc1C(=O)C)S[13CH3] 62a_100000173343_200025704644 [0,1,0,0,0,0|3,0,0]=4 1854 B13R1.2430 COc1ccc(cc1C(=O)[13CH3])C#N 1458a_100009859923_200025704644 [0,1,0,0,0,0|2,0,1]=4 1855 B13R1.2430 COc1ccc(cc1C(C)C)N[13CH3] 2230a_100025764739_200025704644 [0,1,0,0,0,0|3,0,0]=4 1856 B13R1.2430 COc1ccc(cc1C(C)C)N[13CH3] 34a_100025764739_200025704644 [0,1,0,0,0,0|3,0,0]=4 1857 B13R1.2430 CSc1ccc(cc1B(O)O)C=O 62a_100000068294_200000210301 [0,1,0,0,0,0|2,1,0]=4 1858 B13R1.2430 CSc1ccc(cc1B(O)O)C=O 62a_200000210301_100000068294 [0,1,0,0,0,0|2,1,0]=4 1859 B13R1.2430 [13CH3]Sc1ccc(cc1B(O)O)C=O 62a_100000068294_200025704644 [0,1,0,0,0,0|2,1,0]=4 1860 B13R1.2430 [13CH3]Sc1ccc(cc1B(O)O)C=O 62a_200025704644_100000068294 [0,1,0,0,0,0|2,1,0]=4 1861 B13R1.3091 C#Cc1cc(ccc1CC)C(=O)C 1458a_200134618274_200000210301 [0,1,0,0,0,0|2,0,1]=4 1862 B13R1.3091 C#Cc1cc(ccc1CC)C(=O)[13CH3] 1458a_200134618274_200025704644 [0,1,0,0,0,0|2,0,1]=4 1863 B13R1.3091 C=C(C)c1cc(c(nn1)OC)OC 271570a_100000694244_200000095610 [0,1,0,0,0,0|3,0,0]=4 1864 B13R1.3091 C=C(C)c1ccc(c(c1)C#N)OC 271570a_100000694244_100000188252 [0,1,0,0,0,0|3,0,0]=4 1865 B13R1.3091 C=C(C)c1ccc(c(c1)C=O)OC 271570a_100000694244_100000170026 [0,1,0,0,0,0|3,0,0]=4 1866 B13R1.3091 C=C(C)c1ccc(c(c1)CC)OC 271570a_100000694244_200010179862 [0,1,0,0,0,0|2,0,0]=3 1867 B13R1.3091 C=C(C)c1ccc(c(c1)CN)OC 271570a_100000694244_100000690498 [0,1,0,0,0,0|3,0,0]=4 1868 B13R1.3091 C=C(C)c1ccc(c(c1)CO)OC 271570a_100000694244_100000204679 [0,1,0,0,0,0|3,0,0]=4 1869 B13R1.3091 C=C(C)c1ccc(c(c1)OC)C#N 271570a_100000694244_100000694671 [0,1,0,0,0,0|3,0,0]=4 1870 B13R1.3091 C=C(C)c1ccc(c(c1)OC)C=O 271570a_100000694244_100000697075 [0,1,0,0,0,0|3,0,0]=4 1871 B13R1.3091 C=C(C)c1ccc(c(c1)OC)CC 271570a_100000694244_200010710398 [0,1,0,0,0,0|2,0,0]=3 1872 B13R1.3091 C=C(C)c1ccc(c(c1)OC)CO 271570a_100000694244_100011277633 [0,1,0,0,0,0|3,0,0]=4 1873 B13R1.3091 C=C(C)c1ccc(c(c1)OC)OC 271570a_100000694244_100000187503 [0,1,0,0,0,0|1,0,0]=2 1874 B13R1.3091 C=C(C)c1ccc(c(c1)OC)SC 271570a_100000694244_200011001119 [0,1,0,0,0,0|1,1,0]=3 1875 B13R1.3091 C=C(C)c1ccc(c(c1)SC)OC 271570a_100000694244_200009892704 [0,1,0,0,0,0|1,1,0]=3 1876 B13R1.3091 C=C(C)c1ccc(c(n1)OC)OC 271570a_100000694244_100010214848 [0,1,0,0,0,0|2,0,0]=3 1877 B13R1.3091 C=C(C)c1cnc(c(c1)OC)OC 271570a_100000694244_100010234541 [0,1,0,0,0,0|2,0,0]=3 1878 B13R1.3091 C=C(C)c1cnc(c(n1)OC)OC 271570a_100000694244_100010132954 [0,1,0,0,0,0|3,0,0]=4 1879 B13R1.3091 C=C(C)c1ncc(c(n1)OC)OC 271570a_100000694244_100010280452 [0,1,0,0,0,0|3,0,0]=4 1880 B13R1.3091 C=Cc1cc(ccc1OC)C(=O)C 271570a_100011290941_100000185153 [0,1,0,0,0,0|1,0,1]=3 1881 B13R1.3091 C=Cc1ccc(cc1OC)C(=O)C 271570a_100011290941_100010110075 [0,1,0,0,0,0|1,0,1]=3 1882 B13R1.3091 C=Cc1ccc(cc1OC)C(=O)N 271570a_100011290941_100009817049 [0,1,0,0,0,0|1,0,1]=3 1883 B13R1.3091 CC(=O)c1ccc(c(c1)C#N)S[13CH3] 62a_200025704644_100010125495 [0,1,0,0,0,0|2,1,0]=4 1884 B13R1.3091 CC(=O)c1ccc(c(c1)CCl)O[13CH3] 34a_100000010293_200025704644 [0,1,0,0,0,0|2,0,0]=3 1885 B13R1.3091 CC(=O)c1ccc(c(c1)CCl)O[13CH3] 7a_100000010293_200025704644 [0,1,0,0,0,0|2,0,0]=3 1886 B13R1.3091 CC(=O)c1ccc(c(c1)CO)O[13CH3] 7a_100000025453_200025704644 [0,1,0,0,0,0|2,0,0]=3 1887 B13R1.3091 CCc1ccc(cc1NC)[N+](=O)[O-] 34a_100000688539_200000210301 [0,1,0,0,0,0|3,0,0]=4 1888 B13R1.3091 CCc1ccc(cc1NC)[N+](=O)[O-] 7a_100000688539_200000210301 [0,1,0,0,0,0|3,0,0]=4 1889 B13R1.3091 CCc1ccc(cc1N[13CH3])[N+](=O)[O-] 34a_100000688539_200025704644 [0,1,0,0,0,0|3,0,0]=4 1890 B13R1.3091 CCc1ccc(cc1N[13CH3])[N+](=O)[O-] 7a_100000688539_200025704644 [0,1,0,0,0,0|3,0,0]=4 1891 B13R1.3091 CNc1cc(ccc1OC)C(=O)N 34a_100000740584_200000210301 [0,1,0,0,0,0|1,0,0]=2 1892 B13R1.3091 CNc1cc(ccc1OC)[N+](=O)[O-] 34a_100000738153_200000210301 [0,1,0,0,0,0|2,0,0]=3 1893 B13R1.3091 CNc1ccc(cc1C#N)C(=O)C 27a_100102657272_100010125495 [0,1,0,0,0,0|3,0,0]=4 1894 B13R1.3091 CNc1ccc(cc1OC)C(=O)N 27a_100102657272_100009817049 [0,1,0,0,0,0|1,0,0]=2 1895 B13R1.3091 CNc1ccc(cc1OC)C(=O)N 34a_100011850419_200000210301 [0,1,0,0,0,0|1,0,0]=2 1896 B13R1.3091 CNc1ccc(cc1OC)N(C)C 34a_100011900498_200000210301 [0,1,0,0,0,0|3,0,0]=4 1897 B13R1.3091 CNc1ccc(cc1OC)[N+](=O)[O-] 34a_100000211086_200000210301 [0,1,0,0,0,0|2,0,0]=3 1898 B13R1.3091 COc1cc(ccc1C#N)C(=O)C 1458a_100009879710_200000210301 [0,1,0,0,0,0|2,0,0]=3 1899 B13R1.3091 COc1cc(ccc1C#N)C(=O)[13CH3] 1458a_100009879710_200025704644 [0,1,0,0,0,0|2,0,0]=3 1900 B13R1.3091 COc1cc(ccc1C#N)[N+](=O)[O-] 34a_100000050256_200000210301 [0,1,0,0,0,0|3,0,0]=4 1901 B13R1.3091 COc1cc(ccc1C#N)[N+](=O)[O-] 7a_100000050256_200000210301 [0,1,0,0,0,0|3,0,0]=4 1902 B13R1.3091 COc1cc(ccc1CO)[N+](=O)[O-] 34a_100000089567_200000210301 [0,1,0,0,0,0|3,0,0]=4 1903 B13R1.3091 COc1cc(ccc1CO)[N+](=O)[O-] 7a_100000089567_200000210301 [0,1,0,0,0,0|3,0,0]=4 1904 B13R1.3091 COc1cc(ccc1N[13CH3])C(=O)N 34a_100011850419_200025704644 [0,1,0,0,0,0|1,0,0]=2 1905 B13R1.3091 COc1cc(ccc1N[13CH3])N(C)C 34a_100011900498_200025704644 [0,1,0,0,0,0|3,0,0]=4 1906 B13R1.3091 COc1cc(ccc1N[13CH3])[N+](=O)[O-] 34a_100000211086_200025704644 [0,1,0,0,0,0|2,0,0]=3 1907 B13R1.3091 COc1cc(ccc1O[13CH3])C(=O)C 34a_100000186468_200025704644 [0,1,0,0,0,0|0,0,0]=1 1908 B13R1.3091 COc1cc(ccc1O[13CH3])C(=O)C 7a_100000186468_200025704644 [0,1,0,0,0,0|0,0,0]=1 1909 B13R1.3091 COc1cc(ccc1O[13CH3])C(C)O 34a_100000246512_200025704644 [0,1,0,0,0,0|0,0,2]=3 1910 B13R1.3091 COc1cc(ccc1O[13CH3])C(C)O 7a_100000246512_200025704644 [0,1,0,0,0,0|0,0,2]=3 1911 B13R1.3091 COc1cc(ccc1O[13CH3])[N+](=O)[O-] 34a_100000742293_200025704644 [0,1,0,0,0,0|1,0,0]=2 1912 B13R1.3091 COc1cc(ccc1O[13CH3])[N+](=O)[O-] 7a_100000742293_200025704644 [0,1,0,0,0,0|1,0,0]=2 1913 B13R1.3091 COc1cc(ccc1SC)B(O)O 62a_100012355544_200000210301 [0,1,0,0,0,0|1,1,1]=4 1914 B13R1.3091 COc1cc(ccc1SC)B(O)O 62a_200000210301_100012355544 [0,1,0,0,0,0|1,1,1]=4 1915 B13R1.3091 COc1cc(ccc1SC)C(=O)C 62a_100010110075_200000210301 [0,1,0,0,0,0|0,1,0]=2 1916 B13R1.3091 COc1cc(ccc1SC)C(=O)N 62a_100009817049_200000210301 [0,1,0,0,0,0|0,1,0]=2 1917 B13R1.3091 COc1cc(ccc1SC)C(C)C 62a_100021623167_200000210301 [0,1,0,0,0,0|1,1,1]=4 1918 B13R1.3091 COc1cc(ccc1SC)C(C)C 62a_200000210301_100021623167 [0,1,0,0,0,0|1,1,1]=4 1919 B13R1.3091 COc1cc(ccc1S[13CH3])B(O)O 62a_100012355544_200025704644 [0,1,0,0,0,0|1,1,1]=4 1920 B13R1.3091 COc1cc(ccc1S[13CH3])B(O)O 62a_200025704644_100012355544 [0,1,0,0,0,0|1,1,1]=4 1921 B13R1.3091 COc1cc(ccc1S[13CH3])C(=O)C 62a_100010110075_200025704644 [0,1,0,0,0,0|0,1,0]=2 1922 B13R1.3091 COc1cc(ccc1S[13CH3])C(=O)N 62a_100009817049_200025704644 [0,1,0,0,0,0|0,1,0]=2 1923 B13R1.3091 COc1cc(ccc1S[13CH3])C(C)C 62a_100021623167_200025704644 [0,1,0,0,0,0|1,1,1]=4 1924 B13R1.3091 COc1cc(ccc1S[13CH3])C(C)C 62a_200025704644_100021623167 [0,1,0,0,0,0|1,1,1]=4 1925 B13R1.3091 COc1ccc(cc1C#N)C(=O)C 1458a_100011999887_200000210301 [0,1,0,0,0,0|2,0,0]=3 1926 B13R1.3091 COc1ccc(cc1C#N)C(=O)[13CH3] 1458a_100011999887_200025704644 [0,1,0,0,0,0|2,0,0]=3 1927 B13R1.3091 COc1ccc(cc1C#N)[N+](=O)[O-] 34a_100000742360_200000210301 [0,1,0,0,0,0|3,0,0]=4 1928 B13R1.3091 COc1ccc(cc1C#N)[N+](=O)[O-] 7a_100000742360_200000210301 [0,1,0,0,0,0|3,0,0]=4 1929 B13R1.3091 COc1ccc(cc1CBr)[N+](=O)[O-] 34a_200009813932_200000210301 [0,1,0,0,0,0|3,0,0]=4 1930 B13R1.3091 COc1ccc(cc1CBr)[N+](=O)[O-] 7a_200009813932_200000210301 [0,1,0,0,0,0|3,0,0]=4 1931 B13R1.3091 COc1ccc(cc1CCl)C(=O)C 34a_100000010293_200000210301 [0,1,0,0,0,0|2,0,0]=3 1932 B13R1.3091 COc1ccc(cc1CCl)C(=O)C 7a_100000010293_200000210301 [0,1,0,0,0,0|2,0,0]=3 1933 B13R1.3091 COc1ccc(cc1CO)C(=O)C 7a_100000025453_200000210301 [0,1,0,0,0,0|2,0,0]=3 1934 B13R1.3091 COc1ccc(cc1CO)[N+](=O)[O-] 34a_100011215696_200000210301 [0,1,0,0,0,0|3,0,0]=4 1935 B13R1.3091 COc1ccc(cc1CO)[N+](=O)[O-] 7a_100011215696_200000210301 [0,1,0,0,0,0|3,0,0]=4 1936 B13R1.3091 COc1ccc(cc1N[13CH3])C(=O)N 34a_100000740584_200025704644 [0,1,0,0,0,0|1,0,0]=2 1937 B13R1.3091 COc1ccc(cc1N[13CH3])[N+](=O)[O-] 34a_100000738153_200025704644 [0,1,0,0,0,0|2,0,0]=3 1938 B13R1.3091 COc1ccc(cc1OC)C(=O)C 1458a_100000211223_200000210301 [0,1,0,0,0,0|0,0,0]=1 1939 B13R1.3091 COc1ccc(cc1OC)C(=O)C 34a_100000186468_200000210301 [0,1,0,0,0,0|0,0,0]=1 1940 B13R1.3091 COc1ccc(cc1OC)C(=O)C 34a_100000732934_200000210301 [0,1,0,0,0,0|0,0,0]=1 1941 B13R1.3091 COc1ccc(cc1OC)C(=O)C 7a_100000186468_200000210301 [0,1,0,0,0,0|0,0,0]=1 1942 B13R1.3091 COc1ccc(cc1OC)C(=O)C 7a_100000732934_200000210301 [0,1,0,0,0,0|0,0,0]=1 1943 B13R1.3091 COc1ccc(cc1OC)C(=O)[13CH3] 1458a_100000211223_200025704644 [0,1,0,0,0,0|0,0,0]=1 1944 B13R1.3091 COc1ccc(cc1OC)C(C)O 34a_100000246512_200000210301 [0,1,0,0,0,0|0,0,2]=3 1945 B13R1.3091 COc1ccc(cc1OC)C(C)O 7a_100000246512_200000210301 [0,1,0,0,0,0|0,0,2]=3 1946 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 34a_100000211812_200000210301 [0,1,0,0,0,0|1,0,0]=2 1947 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 34a_100000742293_200000210301 [0,1,0,0,0,0|1,0,0]=2 1948 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 7a_100000211812_200000210301 [0,1,0,0,0,0|1,0,0]=2 1949 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 7a_100000742293_200000210301 [0,1,0,0,0,0|1,0,0]=2 1950 B13R1.3091 COc1ccc(cc1O[13CH3])C(=O)C 34a_100000732934_200025704644 [0,1,0,0,0,0|0,0,0]=1 1951 B13R1.3091 COc1ccc(cc1O[13CH3])C(=O)C 7a_100000732934_200025704644 [0,1,0,0,0,0|0,0,0]=1 1952 B13R1.3091 COc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000211812_200025704644 [0,1,0,0,0,0|1,0,0]=2 1953 B13R1.3091 COc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000211812_200025704644 [0,1,0,0,0,0|1,0,0]=2 1954 B13R1.3091 COc1ccc(cc1SC)C(=O)C 62a_100000185153_200000210301 [0,1,0,0,0,0|0,1,0]=2 1955 B13R1.3091 COc1ccc(cc1SC)C(=O)C 62a_200000210301_100000039561 [0,1,0,0,0,0|0,1,0]=2 1956 B13R1.3091 COc1ccc(cc1SC)C(C)O 62a_100000246541_200000210301 [0,1,0,0,0,0|0,1,2]=4 1957 B13R1.3091 COc1ccc(cc1SC)C(C)O 62a_200000210301_100000246541 [0,1,0,0,0,0|0,1,2]=4 1958 B13R1.3091 COc1ccc(cc1S[13CH3])C(=O)C 62a_100000185153_200025704644 [0,1,0,0,0,0|0,1,0]=2 1959 B13R1.3091 COc1ccc(cc1S[13CH3])C(=O)C 62a_200025704644_100000039561 [0,1,0,0,0,0|0,1,0]=2 1960 B13R1.3091 COc1ccc(cc1S[13CH3])C(C)O 62a_100000246541_200025704644 [0,1,0,0,0,0|0,1,2]=4 1961 B13R1.3091 COc1ccc(cc1S[13CH3])C(C)O 62a_200025704644_100000246541 [0,1,0,0,0,0|0,1,2]=4 1962 B13R1.3091 CSc1ccc(cc1C#N)C(=O)C 62a_200000210301_100010125495 [0,1,0,0,0,0|2,1,0]=4 1963 B13R1.3091 [13CH3]Oc1cc(ccc1C#N)[N+](=O)[O-] 34a_100000050256_200025704644 [0,1,0,0,0,0|3,0,0]=4 1964 B13R1.3091 [13CH3]Oc1cc(ccc1C#N)[N+](=O)[O-] 7a_100000050256_200025704644 [0,1,0,0,0,0|3,0,0]=4 1965 B13R1.3091 [13CH3]Oc1cc(ccc1CO)[N+](=O)[O-] 34a_100000089567_200025704644 [0,1,0,0,0,0|3,0,0]=4 1966 B13R1.3091 [13CH3]Oc1cc(ccc1CO)[N+](=O)[O-] 7a_100000089567_200025704644 [0,1,0,0,0,0|3,0,0]=4 1967 B13R1.3091 [13CH3]Oc1ccc(cc1C#N)[N+](=O)[O-] 34a_100000742360_200025704644 [0,1,0,0,0,0|3,0,0]=4 1968 B13R1.3091 [13CH3]Oc1ccc(cc1C#N)[N+](=O)[O-] 7a_100000742360_200025704644 [0,1,0,0,0,0|3,0,0]=4 1969 B13R1.3091 [13CH3]Oc1ccc(cc1CBr)[N+](=O)[O-] 34a_200009813932_200025704644 [0,1,0,0,0,0|3,0,0]=4 1970 B13R1.3091 [13CH3]Oc1ccc(cc1CBr)[N+](=O)[O-] 7a_200009813932_200025704644 [0,1,0,0,0,0|3,0,0]=4 1971 B13R1.3091 [13CH3]Oc1ccc(cc1CO)[N+](=O)[O-] 34a_100011215696_200025704644 [0,1,0,0,0,0|3,0,0]=4 1972 B13R1.3091 [13CH3]Oc1ccc(cc1CO)[N+](=O)[O-] 7a_100011215696_200025704644 [0,1,0,0,0,0|3,0,0]=4 1973 B13R2.57 C=Cc1ccc2c(c1)CCCC2 271570a_100011290941_100011221367 [0,0,0,1,0,0|3,0,0]=4 1974 B13R2.57 C=Cc1ccc2c(c1)CCCN2 271570a_100011290941_100016994925 [0,0,0,1,0,0|3,0,0]=4 1975 B13R2.57 C=Cc1ccc2c(c1)CCCO2 271570a_100011290941_100011393166 [0,0,0,1,0,0|2,0,0]=3 1976 B13R2.57 C=Cc1ccc2c(c1)NCCC2 271570a_100011290941_100010196366 [0,0,0,1,0,0|3,0,0]=4 1977 B13R2.57 C=Cc1ccc2c(c1)NCCO2 271570a_100011290941_100000708519 [0,0,0,1,0,0|2,0,0]=3 1978 B13R2.57 C=Cc1ccc2c(c1)NCCS2 271570a_100011290941_100013243616 [0,0,0,1,0,0|2,1,0]=4 1979 B13R2.57 C=Cc1ccc2c(c1)OCCC2 271570a_100011290941_100010700467 [0,0,0,1,0,0|2,0,0]=3 1980 B13R2.57 C=Cc1ccc2c(c1)OCCN2 271570a_100011290941_100012355470 [0,0,0,1,0,0|2,0,0]=3 1981 B13R2.57 C=Cc1ccc2c(c1)OCCO2 271570a_100011290941_100000184379 [0,0,0,1,0,0|1,0,0]=2 1982 B13R2.57 C=Cc1ccc2c(n1)NCCO2 271570a_100011290941_100010209492 [0,0,0,1,0,0|3,0,0]=4 1983 B13R2.57 C=Cc1cnc2c(c1)CCCO2 271570a_100011290941_100010109689 [0,0,0,1,0,0|3,0,0]=4 1984 B13R2.57 C=Cc1cnc2c(c1)NCCO2 271570a_100011290941_100000700286 [0,0,0,1,0,0|3,0,0]=4 1985 B13R2.57 C=Cc1cnc2c(c1)OCCN2 271570a_100011290941_100009816924 [0,0,0,1,0,0|3,0,0]=4 1986 B13R2.57 CNc1ccc2c(c1)CCCO2 2230a_100138412508_200000210301 [0,0,0,1,0,0|3,0,0]=4 1987 B13R2.57 CNc1ccc2c(c1)CCCO2 34a_100138412508_200000210301 [0,0,0,1,0,0|3,0,0]=4 1988 B13R2.57 CNc1ccc2c(c1)OCCO2 2230a_100020630400_200000210301 [0,0,0,1,0,0|2,0,0]=3 1989 B13R2.57 CNc1ccc2c(c1)OCCO2 34a_100020630400_200000210301 [0,0,0,1,0,0|2,0,0]=3 1990 B13R2.57 COc1ccc2c(c1)NCCO2 34a_100020636358_200000210301 [0,0,0,1,0,0|3,0,0]=4 1991 B13R2.57 COc1ccc2c(c1)OCCO2 34a_100000234341_200000210301 [0,0,0,1,0,0|2,0,0]=3 1992 B13R2.57 CSc1ccc2c(c1)CCCO2 62a_100011393166_200000210301 [0,0,0,1,0,0|3,0,0]=4 1993 B13R2.57 CSc1ccc2c(c1)CCCO2 62a_200000210301_100011393166 [0,0,0,1,0,0|3,0,0]=4 1994 B13R2.57 CSc1ccc2c(c1)NCCO2 62a_200000210301_100000708519 [0,0,0,1,0,0|3,0,0]=4 1995 B13R2.57 CSc1ccc2c(c1)OCCC2 62a_100010700467_200000210301 [0,0,0,1,0,0|3,0,0]=4 1996 B13R2.57 CSc1ccc2c(c1)OCCC2 62a_200000210301_100010700467 [0,0,0,1,0,0|3,0,0]=4 1997 B13R2.57 CSc1ccc2c(c1)OCCN2 62a_200000210301_100012355470 [0,0,0,1,0,0|3,0,0]=4 1998 B13R2.57 CSc1ccc2c(c1)OCCO2 62a_100011216881_200000210301 [0,0,0,1,0,0|2,0,0]=3 1999 B13R2.57 CSc1ccc2c(c1)OCCO2 62a_200000210301_100011216881 [0,0,0,1,0,0|2,0,0]=3 2000 B13R2.57 [13CH3]Nc1ccc2c(c1)CCCO2 2230a_100138412508_200025704644 [0,0,0,1,0,0|3,0,0]=4 2001 B13R2.57 [13CH3]Nc1ccc2c(c1)CCCO2 34a_100138412508_200025704644 [0,0,0,1,0,0|3,0,0]=4 2002 B13R2.57 [13CH3]Nc1ccc2c(c1)OCCO2 2230a_100020630400_200025704644 [0,0,0,1,0,0|2,0,0]=3 2003 B13R2.57 [13CH3]Nc1ccc2c(c1)OCCO2 34a_100020630400_200025704644 [0,0,0,1,0,0|2,0,0]=3 2004 B13R2.57 [13CH3]Oc1ccc2c(c1)NCCO2 34a_100020636358_200025704644 [0,0,0,1,0,0|3,0,0]=4 2005 B13R2.57 [13CH3]Oc1ccc2c(c1)OCCO2 34a_100000234341_200025704644 [0,0,0,1,0,0|2,0,0]=3 2006 B13R2.57 [13CH3]Sc1ccc2c(c1)CCCO2 62a_100011393166_200025704644 [0,0,0,1,0,0|3,0,0]=4 2007 B13R2.57 [13CH3]Sc1ccc2c(c1)CCCO2 62a_200025704644_100011393166 [0,0,0,1,0,0|3,0,0]=4 2008 B13R2.57 [13CH3]Sc1ccc2c(c1)NCCO2 62a_200025704644_100000708519 [0,0,0,1,0,0|3,0,0]=4 2009 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCC2 62a_100010700467_200025704644 [0,0,0,1,0,0|3,0,0]=4 2010 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCC2 62a_200025704644_100010700467 [0,0,0,1,0,0|3,0,0]=4 2011 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCN2 62a_200025704644_100012355470 [0,0,0,1,0,0|3,0,0]=4 2012 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCO2 62a_100011216881_200025704644 [0,0,0,1,0,0|2,0,0]=3 2013 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCO2 62a_200025704644_100011216881 [0,0,0,1,0,0|2,0,0]=3 2014 B13R2.669 C=Cc1ccc2c(c1)C(=O)CO2 271570a_100011290941_100000752586 [0,0,0,1,0,0|3,0,0]=4 2015 B13R2.669 C=Cc1ccc2occ(c2c1)C 271570a_100011290941_100000728893 [0,0,0,1,0,0|2,0,1]=4 2016 B13R2.669 C=Cc1ccc2onc(c2c1)C 271570a_100011290941_100010196875 [0,0,0,1,0,0|3,0,0]=4 2017 B13R2.2130 C=Cc1ccc2c(c1)CCN2C 271570a_100011290941_100009815432 [0,0,0,1,0,0|3,0,0]=4 2018 B13R2.2130 C=Cc1ccc2c(c1)OCC2=O 271570a_100011290941_100000686717 [0,0,0,1,0,0|3,0,0]=4 2019 B13R2.2130 C=Cc1ccc2c(c1)OCC2N 271570a_100011290941_100020628175 [0,0,0,1,0,0|3,0,0]=4 2020 B13R2.2130 C=Cc1ccc2c(coc2c1)C 271570a_100011290941_100010775837 [0,0,0,1,0,0|2,0,1]=4 2021 B13R2.2130 C=Cc1ccc2c(noc2c1)C 271570a_100011290941_100009815287 [0,0,0,1,0,0|3,0,0]=4 2022 B10R0.91 CC/C=C\CC(=O)C=COC 1458a_100016268678_100103147603 [1,0,1,0,0,0|1,0,1]=4 2023 B10R1.20 C#Cc1ccccc1OC 34a_200011470546_200000210301 [2,0,0,0,0,0|1,0,1]=4 2024 B10R1.20 C#Cc1ccccc1OC 7a_200011470546_200000210301 [2,0,0,0,0,0|1,0,1]=4 2025 B10R1.20 C#Cc1ccccc1O[13CH3] 34a_200011470546_200025704644 [2,0,0,0,0,0|1,0,1]=4 2026 B10R1.20 C#Cc1ccccc1O[13CH3] 7a_200011470546_200025704644 [2,0,0,0,0,0|1,0,1]=4 2027 B10R1.20 C=Cc1ccccc1OC 271570a_100011290941_100000174000 [2,0,0,0,0,0|1,0,1]=4 2028 B10R1.20 CCc1ccccc1NC 2230a_100000212081_200000210301 [2,0,0,0,0,0|2,0,0]=4 2029 B10R1.20 CCc1ccccc1NC 34a_100000212081_200000210301 [2,0,0,0,0,0|2,0,0]=4 2030 B10R1.20 CCc1ccccc1NC 7a_100000212081_200000210301 [2,0,0,0,0,0|2,0,0]=4 2031 B10R1.20 CCc1ccccc1N[13CH3] 2230a_100000212081_200025704644 [2,0,0,0,0,0|2,0,0]=4 2032 B10R1.20 CCc1ccccc1N[13CH3] 34a_100000212081_200025704644 [2,0,0,0,0,0|2,0,0]=4 2033 B10R1.20 CCc1ccccc1N[13CH3] 7a_100000212081_200025704644 [2,0,0,0,0,0|2,0,0]=4 2034 B10R1.20 CCc1ccccc1OC 34a_100000210936_200000210301 [2,0,0,0,0,0|1,0,0]=3 2035 B10R1.20 CCc1ccccc1OC 7a_100000210936_200000210301 [2,0,0,0,0,0|1,0,0]=3 2036 B10R1.20 CCc1ccccc1O[13CH3] 34a_100000210936_200025704644 [2,0,0,0,0,0|1,0,0]=3 2037 B10R1.20 CCc1ccccc1O[13CH3] 7a_100000210936_200025704644 [2,0,0,0,0,0|1,0,0]=3 2038 B10R1.20 CCc1ccccc1SC 62a_100011215823_200000210301 [2,0,0,0,0,0|1,1,0]=4 2039 B10R1.20 CCc1ccccc1SC 62a_200000210301_100011215823 [2,0,0,0,0,0|1,1,0]=4 2040 B10R1.20 CCc1ccccc1S[13CH3] 62a_100011215823_200025704644 [2,0,0,0,0,0|1,1,0]=4 2041 B10R1.20 CCc1ccccc1S[13CH3] 62a_200025704644_100011215823 [2,0,0,0,0,0|1,1,0]=4 2042 B10R1.20 CNc1ccccc1OC 34a_100000033821_200000210301 [2,0,0,0,0,0|1,0,0]=3 2043 B10R1.20 CNc1ccccc1OC 34a_100000210025_200000210301 [2,0,0,0,0,0|1,0,0]=3 2044 B10R1.20 CNc1ccccc1O[13CH3] 34a_100000033821_200025704644 [2,0,0,0,0,0|1,0,0]=3 2045 B10R1.20 CNc1ccccc1SC 34a_100000211160_200000210301 [2,0,0,0,0,0|1,1,0]=4 2046 B10R1.20 CNc1ccccc1SC 62a_100020606079_200000210301 [2,0,0,0,0,0|1,1,0]=4 2047 B10R1.20 CNc1ccccc1SC 62a_200000210301_100020606079 [2,0,0,0,0,0|1,1,0]=4 2048 B10R1.20 CNc1ccccc1S[13CH3] 62a_100020606079_200025704644 [2,0,0,0,0,0|1,1,0]=4 2049 B10R1.20 CNc1ccccc1S[13CH3] 62a_200025704644_100020606079 [2,0,0,0,0,0|1,1,0]=4 2050 B10R1.20 COc1ccccc1C#N 34a_100000211048_200000210301 [2,0,0,0,0,0|2,0,0]=4 2051 B10R1.20 COc1ccccc1C#N 7a_100000211048_200000210301 [2,0,0,0,0,0|2,0,0]=4 2052 B10R1.20 COc1ccccc1CN 34a_100000185550_200000210301 [2,0,0,0,0,0|2,0,0]=4 2053 B10R1.20 COc1ccccc1CO 34a_100011216872_200000210301 [2,0,0,0,0,0|2,0,0]=4 2054 B10R1.20 COc1ccccc1N[13CH3] 34a_100000210025_200025704644 [2,0,0,0,0,0|1,0,0]=3 2055 B10R1.20 COc1ccccc1OC 34a_100000210385_200000210301 [2,0,0,0,0,0|0,0,0]=2 2056 B10R1.20 COc1ccccc1O[13CH3] 34a_100000210385_200025704644 [2,0,0,0,0,0|0,0,0]=2 2057 B10R1.20 COc1ccccc1SC 34a_100011216402_200000210301 [2,0,0,0,0,0|0,1,0]=3 2058 B10R1.20 COc1ccccc1SC 62a_100000210334_200000210301 [2,0,0,0,0,0|0,1,0]=3 2059 B10R1.20 COc1ccccc1SC 62a_200000210301_100000210334 [2,0,0,0,0,0|0,1,0]=3 2060 B10R1.20 COc1ccccc1S[13CH3] 62a_100000210334_200025704644 [2,0,0,0,0,0|0,1,0]=3 2061 B10R1.20 COc1ccccc1S[13CH3] 62a_200025704644_100000210334 [2,0,0,0,0,0|0,1,0]=3 2062 B10R1.20 COc1cccnc1OC 34a_100000698397_200000210301 [2,0,0,0,0,0|1,0,0]=3 2063 B10R1.20 COc1cccnc1OC 34a_100025773188_200000210301 [2,0,0,0,0,0|1,0,0]=3 2064 B10R1.20 COc1cccnc1OC 7a_100000698397_200000210301 [2,0,0,0,0,0|1,0,0]=3 2065 B10R1.20 COc1cccnc1O[13CH3] 34a_100025773188_200025704644 [2,0,0,0,0,0|1,0,0]=3 2066 B10R1.20 COc1cccnc1SC 62a_100000767102_200000210301 [2,0,0,0,0,0|1,1,0]=4 2067 B10R1.20 COc1cccnc1SC 62a_200000210301_100000690851 [2,0,0,0,0,0|1,1,0]=4 2068 B10R1.20 COc1cccnc1S[13CH3] 62a_100000767102_200025704644 [2,0,0,0,0,0|1,1,0]=4 2069 B10R1.20 COc1cccnc1S[13CH3] 62a_200025704644_100000690851 [2,0,0,0,0,0|1,1,0]=4 2070 B10R1.20 COc1ccncc1OC 34a_100000101186_200000210301 [2,0,0,0,0,0|1,0,0]=3 2071 B10R1.20 COc1ccncc1O[13CH3] 34a_100000101186_200025704644 [2,0,0,0,0,0|1,0,0]=3 2072 B10R1.20 COc1ccncc1SC 62a_100011997281_200000210301 [2,0,0,0,0,0|1,1,0]=4 2073 B10R1.20 COc1ccncc1SC 62a_200000210301_100011997281 [2,0,0,0,0,0|1,1,0]=4 2074 B10R1.20 COc1ccncc1S[13CH3] 62a_100011997281_200025704644 [2,0,0,0,0,0|1,1,0]=4 2075 B10R1.20 COc1ccncc1S[13CH3] 62a_200025704644_100011997281 [2,0,0,0,0,0|1,1,0]=4 2076 B10R1.20 COc1cnccc1SC 62a_100016988167_200000210301 [2,0,0,0,0,0|1,1,0]=4 2077 B10R1.20 COc1cnccc1SC 62a_200000210301_100016988167 [2,0,0,0,0,0|1,1,0]=4 2078 B10R1.20 COc1cnccc1S[13CH3] 62a_100016988167_200025704644 [2,0,0,0,0,0|1,1,0]=4 2079 B10R1.20 COc1cnccc1S[13CH3] 62a_200025704644_100016988167 [2,0,0,0,0,0|1,1,0]=4 2080 B10R1.20 COc1ncccc1O[13CH3] 34a_100000698397_200025704644 [2,0,0,0,0,0|1,0,0]=3 2081 B10R1.20 COc1ncccc1O[13CH3] 7a_100000698397_200025704644 [2,0,0,0,0,0|1,0,0]=3 2082 B10R1.20 COc1ncccc1SC 62a_100000047025_200000210301 [2,0,0,0,0,0|1,1,0]=4 2083 B10R1.20 COc1ncccc1SC 62a_200000210301_100000047025 [2,0,0,0,0,0|1,1,0]=4 2084 B10R1.20 COc1ncccc1S[13CH3] 62a_100000047025_200025704644 [2,0,0,0,0,0|1,1,0]=4 2085 B10R1.20 COc1ncccc1S[13CH3] 62a_200025704644_100000047025 [2,0,0,0,0,0|1,1,0]=4 2086 B10R1.20 CSc1ccccc1N[13CH3] 34a_100000211160_200025704644 [2,0,0,0,0,0|1,1,0]=4 2087 B10R1.20 CSc1ccccc1O[13CH3] 34a_100011216402_200025704644 [2,0,0,0,0,0|0,1,0]=3 2088 B10R1.20 CSc1ccccc1SC 62a_100011217816_200000210301 [2,0,0,0,0,0|0,2,0]=4 2089 B10R1.20 CSc1ccccc1SC 62a_200000210301_100011217816 [2,0,0,0,0,0|0,2,0]=4 2090 B10R1.20 CSc1ccccc1S[13CH3] 62a_100011217816_200025704644 [2,0,0,0,0,0|0,2,0]=4 2091 B10R1.20 CSc1ccccc1S[13CH3] 62a_200025704644_100011217816 [2,0,0,0,0,0|0,2,0]=4 2092 B10R1.20 [13CH3]Oc1ccccc1C#N 34a_100000211048_200025704644 [2,0,0,0,0,0|2,0,0]=4 2093 B10R1.20 [13CH3]Oc1ccccc1C#N 7a_100000211048_200025704644 [2,0,0,0,0,0|2,0,0]=4 2094 B10R1.20 [13CH3]Oc1ccccc1CN 34a_100000185550_200025704644 [2,0,0,0,0,0|2,0,0]=4 2095 B10R1.20 [13CH3]Oc1ccccc1CO 34a_100011216872_200025704644 [2,0,0,0,0,0|2,0,0]=4 2096 B10R1.25 CNc1ccc(cc1C)Br 34a_100000211769_200000210301 [2,0,0,0,0,0|2,0,0]=4 2097 B10R1.25 CNc1ccc(cc1C)Br 7a_100000211769_200000210301 [2,0,0,0,0,0|2,0,0]=4 2098 B10R1.25 CNc1ccc(cc1C)C 34a_100000736561_200000210301 [2,0,0,0,0,0|1,0,1]=4 2099 B10R1.25 CNc1ccc(cc1C)C 7a_100000736561_200000210301 [2,0,0,0,0,0|1,0,1]=4 2100 B10R1.25 CNc1ccc(cc1C)Cl 34a_100000210418_200000210301 [2,0,0,0,0,0|2,0,0]=4 2101 B10R1.25 CNc1ccc(cc1C)Cl 7a_100000210418_200000210301 [2,0,0,0,0,0|2,0,0]=4 2102 B10R1.25 CNc1ccc(cc1C)F 34a_100000211637_200000210301 [2,0,0,0,0,0|2,0,0]=4 2103 B10R1.25 CNc1ccc(cc1C)F 7a_100000211637_200000210301 [2,0,0,0,0,0|2,0,0]=4 2104 B10R1.25 CNc1ccc(cc1C)I 34a_100000184554_200000210301 [2,0,0,0,0,0|2,0,0]=4 2105 B10R1.25 CNc1ccc(cc1C)I 7a_100000184554_200000210301 [2,0,0,0,0,0|2,0,0]=4 2106 B10R1.25 CNc1ccc(cc1C)O 271570a_203496583355_100000221803 [2,0,0,0,0,0|1,0,1]=4 2107 B10R1.25 CNc1ccc(cc1C)O 34a_100000756630_200000210301 [2,0,0,0,0,0|1,0,1]=4 2108 B10R1.25 CNc1ccc(cc1O)Br 34a_100000739049_200000210301 [2,0,0,0,0,0|2,0,0]=4 2109 B10R1.25 CNc1ccc(cc1O)C 271570a_203496583355_100000221369 [2,0,0,0,0,0|1,0,1]=4 2110 B10R1.25 CNc1ccc(cc1O)C 34a_100000211527_200000210301 [2,0,0,0,0,0|1,0,1]=4 2111 B10R1.25 CNc1ccc(cc1O)Cl 34a_100000185728_200000210301 [2,0,0,0,0,0|2,0,0]=4 2112 B10R1.25 CNc1ccc(cc1O)F 271570a_203496583355_100011246292 [2,0,0,0,0,0|2,0,0]=4 2113 B10R1.25 CNc1ccc(cc1O)F 34a_100000753323_200000210301 [2,0,0,0,0,0|2,0,0]=4 2114 B10R1.25 CNc1ccc(cc1O)O 34a_100000106777_200000210301 [2,0,0,0,0,0|1,0,1]=4 2115 B10R1.25 COc1c[nH]c(=O)cc1O 271570a_203496583355_100121573661 [2,0,0,0,0,0|1,0,0]=3 2116 B10R1.25 COc1ccc(cc1Br)Br 34a_100000188717_200000210301 [2,0,0,0,0,0|2,0,0]=4 2117 B10R1.25 COc1ccc(cc1Br)Br 7a_100000188717_200000210301 [2,0,0,0,0,0|2,0,0]=4 2118 B10R1.25 COc1ccc(cc1Br)C 34a_100000210800_200000210301 [2,0,0,0,0,0|1,0,1]=4 2119 B10R1.25 COc1ccc(cc1Br)C 7a_100000210800_200000210301 [2,0,0,0,0,0|1,0,1]=4 2120 B10R1.25 COc1ccc(cc1Br)Cl 34a_100000211998_200000210301 [2,0,0,0,0,0|2,0,0]=4 2121 B10R1.25 COc1ccc(cc1Br)Cl 7a_100000211998_200000210301 [2,0,0,0,0,0|2,0,0]=4 2122 B10R1.25 COc1ccc(cc1Br)F 34a_100000211999_200000210301 [2,0,0,0,0,0|2,0,0]=4 2123 B10R1.25 COc1ccc(cc1Br)F 7a_100000211999_200000210301 [2,0,0,0,0,0|2,0,0]=4 2124 B10R1.25 COc1ccc(cc1Br)I 34a_100012361655_200000210301 [2,0,0,0,0,0|2,0,0]=4 2125 B10R1.25 COc1ccc(cc1Br)I 7a_100012361655_200000210301 [2,0,0,0,0,0|2,0,0]=4 2126 B10R1.25 COc1ccc(cc1Br)N 34a_100011534360_200000210301 [2,0,0,0,0,0|2,0,0]=4 2127 B10R1.25 COc1ccc(cc1Br)N 7a_100011534360_200000210301 [2,0,0,0,0,0|2,0,0]=4 2128 B10R1.25 COc1ccc(cc1Br)O 271570a_203496583355_100011249507 [2,0,0,0,0,0|1,0,1]=4 2129 B10R1.25 COc1ccc(cc1C)Br 34a_100000186361_200000210301 [2,0,0,0,0,0|1,0,0]=3 2130 B10R1.25 COc1ccc(cc1C)Br 7a_100000186361_200000210301 [2,0,0,0,0,0|1,0,0]=3 2131 B10R1.25 COc1ccc(cc1C)C 34a_100000211776_200000210301 [2,0,0,0,0,0|0,0,1]=3 2132 B10R1.25 COc1ccc(cc1C)C 7a_100000211776_200000210301 [2,0,0,0,0,0|0,0,1]=3 2133 B10R1.25 COc1ccc(cc1C)Cl 34a_100000211091_200000210301 [2,0,0,0,0,0|1,0,0]=3 2134 B10R1.25 COc1ccc(cc1C)Cl 7a_100000211091_200000210301 [2,0,0,0,0,0|1,0,0]=3 2135 B10R1.25 COc1ccc(cc1C)F 34a_100000764316_200000210301 [2,0,0,0,0,0|1,0,0]=3 2136 B10R1.25 COc1ccc(cc1C)F 7a_100000764316_200000210301 [2,0,0,0,0,0|1,0,0]=3 2137 B10R1.25 COc1ccc(cc1C)I 34a_100011218673_200000210301 [2,0,0,0,0,0|1,0,0]=3 2138 B10R1.25 COc1ccc(cc1C)I 7a_100011218673_200000210301 [2,0,0,0,0,0|1,0,0]=3 2139 B10R1.25 COc1ccc(cc1C)N 34a_100011218179_200000210301 [2,0,0,0,0,0|1,0,0]=3 2140 B10R1.25 COc1ccc(cc1C)N 7a_100011218179_200000210301 [2,0,0,0,0,0|1,0,0]=3 2141 B10R1.25 COc1ccc(cc1C)O 271570a_203496583355_100011219705 [2,0,0,0,0,0|0,0,1]=3 2142 B10R1.25 COc1ccc(cc1Cl)Br 34a_100000186472_200000210301 [2,0,0,0,0,0|2,0,0]=4 2143 B10R1.25 COc1ccc(cc1Cl)Br 7a_100000186472_200000210301 [2,0,0,0,0,0|2,0,0]=4 2144 B10R1.25 COc1ccc(cc1Cl)C 34a_100000749699_200000210301 [2,0,0,0,0,0|1,0,1]=4 2145 B10R1.25 COc1ccc(cc1Cl)C 7a_100000749699_200000210301 [2,0,0,0,0,0|1,0,1]=4 2146 B10R1.25 COc1ccc(cc1Cl)Cl 34a_100015191787_200000210301 [2,0,0,0,0,0|2,0,0]=4 2147 B10R1.25 COc1ccc(cc1Cl)Cl 7a_100015191787_200000210301 [2,0,0,0,0,0|2,0,0]=4 2148 B10R1.25 COc1ccc(cc1Cl)F 34a_100000212004_200000210301 [2,0,0,0,0,0|2,0,0]=4 2149 B10R1.25 COc1ccc(cc1Cl)F 7a_100000212004_200000210301 [2,0,0,0,0,0|2,0,0]=4 2150 B10R1.25 COc1ccc(cc1Cl)I 34a_100012360047_200000210301 [2,0,0,0,0,0|2,0,0]=4 2151 B10R1.25 COc1ccc(cc1Cl)I 7a_100012360047_200000210301 [2,0,0,0,0,0|2,0,0]=4 2152 B10R1.25 COc1ccc(cc1Cl)N 34a_100000744943_200000210301 [2,0,0,0,0,0|2,0,0]=4 2153 B10R1.25 COc1ccc(cc1Cl)N 7a_100000744943_200000210301 [2,0,0,0,0,0|2,0,0]=4 2154 B10R1.25 COc1ccc(cc1Cl)O 271570a_203496583355_100012355395 [2,0,0,0,0,0|1,0,1]=4 2155 B10R1.25 COc1ccc(cc1F)Br 34a_100000185481_200000210301 [2,0,0,0,0,0|2,0,0]=4 2156 B10R1.25 COc1ccc(cc1F)Br 7a_100000185481_200000210301 [2,0,0,0,0,0|2,0,0]=4 2157 B10R1.25 COc1ccc(cc1F)C 34a_100011216688_200000210301 [2,0,0,0,0,0|1,0,1]=4 2158 B10R1.25 COc1ccc(cc1F)C 7a_100011216688_200000210301 [2,0,0,0,0,0|1,0,1]=4 2159 B10R1.25 COc1ccc(cc1F)Cl 34a_100000230166_200000210301 [2,0,0,0,0,0|2,0,0]=4 2160 B10R1.25 COc1ccc(cc1F)Cl 7a_100000230166_200000210301 [2,0,0,0,0,0|2,0,0]=4 2161 B10R1.25 COc1ccc(cc1F)F 34a_100000230127_200000210301 [2,0,0,0,0,0|2,0,0]=4 2162 B10R1.25 COc1ccc(cc1F)F 7a_100000230127_200000210301 [2,0,0,0,0,0|2,0,0]=4 2163 B10R1.25 COc1ccc(cc1F)I 34a_100011356965_200000210301 [2,0,0,0,0,0|2,0,0]=4 2164 B10R1.25 COc1ccc(cc1F)I 7a_100011356965_200000210301 [2,0,0,0,0,0|2,0,0]=4 2165 B10R1.25 COc1ccc(cc1F)N 34a_100011220035_200000210301 [2,0,0,0,0,0|2,0,0]=4 2166 B10R1.25 COc1ccc(cc1F)N 7a_100011220035_200000210301 [2,0,0,0,0,0|2,0,0]=4 2167 B10R1.25 COc1ccc(cc1F)O 271570a_203496583355_100000185480 [2,0,0,0,0,0|1,0,1]=4 2168 B10R1.25 COc1ccc(cc1I)Br 34a_100012355227_200000210301 [2,0,0,0,0,0|2,0,0]=4 2169 B10R1.25 COc1ccc(cc1I)Br 7a_100012355227_200000210301 [2,0,0,0,0,0|2,0,0]=4 2170 B10R1.25 COc1ccc(cc1I)C 34a_100000765521_200000210301 [2,0,0,0,0,0|1,0,1]=4 2171 B10R1.25 COc1ccc(cc1I)C 7a_100000765521_200000210301 [2,0,0,0,0,0|1,0,1]=4 2172 B10R1.25 COc1ccc(cc1I)Cl 34a_100011356953_200000210301 [2,0,0,0,0,0|2,0,0]=4 2173 B10R1.25 COc1ccc(cc1I)Cl 7a_100011356953_200000210301 [2,0,0,0,0,0|2,0,0]=4 2174 B10R1.25 COc1ccc(cc1I)F 34a_100012355409_200000210301 [2,0,0,0,0,0|2,0,0]=4 2175 B10R1.25 COc1ccc(cc1I)F 7a_100012355409_200000210301 [2,0,0,0,0,0|2,0,0]=4 2176 B10R1.25 COc1ccc(cc1I)I 7a_100010001573_200000210301 [2,0,0,0,0,0|2,0,0]=4 2177 B10R1.25 COc1ccc(cc1N)Br 34a_100000752626_200000210301 [2,0,0,0,0,0|2,0,0]=4 2178 B10R1.25 COc1ccc(cc1N)Br 7a_100000752626_200000210301 [2,0,0,0,0,0|2,0,0]=4 2179 B10R1.25 COc1ccc(cc1N)C 34a_100011215204_200000210301 [2,0,0,0,0,0|1,0,1]=4 2180 B10R1.25 COc1ccc(cc1N)C 7a_100011215204_200000210301 [2,0,0,0,0,0|1,0,1]=4 2181 B10R1.25 COc1ccc(cc1N)Cl 34a_100000210500_200000210301 [2,0,0,0,0,0|2,0,0]=4 2182 B10R1.25 COc1ccc(cc1N)Cl 7a_100000210500_200000210301 [2,0,0,0,0,0|2,0,0]=4 2183 B10R1.25 COc1ccc(cc1N)F 34a_100000759472_200000210301 [2,0,0,0,0,0|2,0,0]=4 2184 B10R1.25 COc1ccc(cc1N)F 7a_100000759472_200000210301 [2,0,0,0,0,0|2,0,0]=4 2185 B10R1.25 COc1ccc(cc1N)I 34a_100000753495_200000210301 [2,0,0,0,0,0|2,0,0]=4 2186 B10R1.25 COc1ccc(cc1N)I 7a_100000753495_200000210301 [2,0,0,0,0,0|2,0,0]=4 2187 B10R1.25 COc1ccc(cc1N)N 34a_100000725306_200000210301 [2,0,0,0,0,0|2,0,0]=4 2188 B10R1.25 COc1ccc(cc1N)O 271570a_203496583355_100000743470 [2,0,0,0,0,0|1,0,1]=4 2189 B10R1.25 COc1ccc(cc1O)Br 271570a_203496583355_100012351588 [2,0,0,0,0,0|1,0,0]=3 2190 B10R1.25 COc1ccc(cc1O)C 271570a_203496583355_100000186399 [2,0,0,0,0,0|0,0,1]=3 2191 B10R1.25 COc1ccc(cc1O)Cl 271570a_203496583355_100011215930 [2,0,0,0,0,0|1,0,0]=3 2192 B10R1.25 COc1ccc(cc1O)F 271570a_203496583355_100000171694 [2,0,0,0,0,0|1,0,0]=3 2193 B10R1.25 COc1ccc(cc1O)N 271570a_203496583355_100000187427 [2,0,0,0,0,0|1,0,0]=3 2194 B10R1.25 COc1ccc(cc1O)O 271570a_203496583355_100009816560 [2,0,0,0,0,0|0,0,1]=3 2195 B10R1.25 COc1ccc(cc1O)O 271570a_203496583355_100010084122 [2,0,0,0,0,0|0,0,1]=3 2196 B10R1.25 COc1ccc(nc1C)Br 34a_100012002022_200000210301 [2,0,0,0,0,0|2,0,0]=4 2197 B10R1.25 COc1ccc(nc1C)Br 7a_100012002022_200000210301 [2,0,0,0,0,0|2,0,0]=4 2198 B10R1.25 COc1ccc(nc1C)C 34a_100011218912_200000210301 [2,0,0,0,0,0|1,0,1]=4 2199 B10R1.25 COc1ccc(nc1C)C 7a_100011218912_200000210301 [2,0,0,0,0,0|1,0,1]=4 2200 B10R1.25 COc1ccc(nc1C)Cl 34a_100012184626_200000210301 [2,0,0,0,0,0|2,0,0]=4 2201 B10R1.25 COc1ccc(nc1C)Cl 7a_100012184626_200000210301 [2,0,0,0,0,0|2,0,0]=4 2202 B10R1.25 COc1ccc(nc1C)F 34a_100009881036_200000210301 [2,0,0,0,0,0|2,0,0]=4 2203 B10R1.25 COc1ccc(nc1C)F 7a_100009881036_200000210301 [2,0,0,0,0,0|2,0,0]=4 2204 B10R1.25 COc1ccc(nc1C)I 34a_100010233687_200000210301 [2,0,0,0,0,0|2,0,0]=4 2205 B10R1.25 COc1ccc(nc1C)I 7a_100010233687_200000210301 [2,0,0,0,0,0|2,0,0]=4 2206 B10R1.25 COc1ccc(nc1C)O 271570a_203496583355_100010244750 [2,0,0,0,0,0|1,0,1]=4 2207 B10R1.25 COc1ccc(nc1O)C 271570a_203496583355_100009820875 [2,0,0,0,0,0|1,0,1]=4 2208 B10R1.25 COc1ccc(nc1O)N 271570a_203496583355_100010172607 [2,0,0,0,0,0|2,0,0]=4 2209 B10R1.25 COc1cnc(cc1C)C 34a_200000068632_200000210301 [2,0,0,0,0,0|1,0,1]=4 2210 B10R1.25 COc1cnc(cc1C)C 7a_200000068632_200000210301 [2,0,0,0,0,0|1,0,1]=4 2211 B10R1.25 COc1cnc(cc1C)Cl 34a_100000692680_200000210301 [2,0,0,0,0,0|2,0,0]=4 2212 B10R1.25 COc1cnc(cc1C)Cl 7a_100000692680_200000210301 [2,0,0,0,0,0|2,0,0]=4 2213 B10R1.25 COc1cnc(cc1C)F 34a_100009856773_200000210301 [2,0,0,0,0,0|2,0,0]=4 2214 B10R1.25 COc1cnc(cc1C)F 7a_100009856773_200000210301 [2,0,0,0,0,0|2,0,0]=4 2215 B10R1.25 COc1cnc(cc1O)C 271570a_203496583355_100010109759 [2,0,0,0,0,0|1,0,1]=4 2216 B10R1.25 COc1cnc(cc1O)O 271570a_203496583355_100010264082 [2,0,0,0,0,0|1,0,1]=4 2217 B10R1.25 COc1ncc(cc1C)Br 34a_100000685391_200000210301 [2,0,0,0,0,0|2,0,0]=4 2218 B10R1.25 COc1ncc(cc1C)O 271570a_203496583355_100011290809 [2,0,0,0,0,0|1,0,1]=4 2219 B10R1.25 COc1ncc(cc1O)Br 271570a_203496583355_100009814608 [2,0,0,0,0,0|2,0,0]=4 2220 B10R1.25 COc1ncc(cc1O)C 271570a_203496583355_100012353929 [2,0,0,0,0,0|1,0,1]=4 2221 B10R1.25 COc1ncc(cc1O)F 271570a_203496583355_100009828472 [2,0,0,0,0,0|2,0,0]=4 2222 B10R1.25 COc1ncc(cc1O)N 271570a_203496583355_100012351452 [2,0,0,0,0,0|2,0,0]=4 2223 B10R1.25 COc1ncc(cc1O)O 271570a_203496583355_100010135713 [2,0,0,0,0,0|1,0,1]=4 2224 B10R1.25 CSc1ccc(cc1C)Br 62a_100000701812_200000210301 [2,0,0,0,0,0|1,1,0]=4 2225 B10R1.25 CSc1ccc(cc1C)Br 62a_200000210301_100000701812 [2,0,0,0,0,0|1,1,0]=4 2226 B10R1.25 CSc1ccc(cc1C)C 62a_100011217332_200000210301 [2,0,0,0,0,0|0,1,1]=4 2227 B10R1.25 CSc1ccc(cc1C)C 62a_200000210301_100011217332 [2,0,0,0,0,0|0,1,1]=4 2228 B10R1.25 CSc1ccc(cc1C)Cl 62a_100011219607_200000210301 [2,0,0,0,0,0|1,1,0]=4 2229 B10R1.25 CSc1ccc(cc1C)Cl 62a_200000210301_100011219607 [2,0,0,0,0,0|1,1,0]=4 2230 B10R1.25 CSc1ccc(cc1C)F 62a_100011205405_200000210301 [2,0,0,0,0,0|1,1,0]=4 2231 B10R1.25 CSc1ccc(cc1C)F 62a_200000210301_100011205405 [2,0,0,0,0,0|1,1,0]=4 2232 B10R1.25 CSc1ccc(cc1C)N 62a_100000210723_200000210301 [2,0,0,0,0,0|1,1,0]=4 2233 B10R1.25 CSc1ccc(cc1C)N 62a_200000210301_100000210723 [2,0,0,0,0,0|1,1,0]=4 2234 B10R1.25 CSc1ccc(cc1C)O 62a_200000210301_100000690111 [2,0,0,0,0,0|0,1,1]=4 2235 B10R1.25 CSc1ccc(cc1O)Br 62a_100012344904_200000210301 [2,0,0,0,0,0|1,1,0]=4 2236 B10R1.25 CSc1ccc(cc1O)Br 62a_200000210301_100012344904 [2,0,0,0,0,0|1,1,0]=4 2237 B10R1.25 CSc1ccc(cc1O)C 271570a_203496583355_200010201864 [2,0,0,0,0,0|0,1,1]=4 2238 B10R1.25 CSc1ccc(cc1O)C 62a_100012002257_200000210301 [2,0,0,0,0,0|0,1,1]=4 2239 B10R1.25 CSc1ccc(cc1O)C 62a_200000210301_100012002257 [2,0,0,0,0,0|0,1,1]=4 2240 B10R1.25 CSc1ccc(cc1O)Cl 62a_100000050036_200000210301 [2,0,0,0,0,0|1,1,0]=4 2241 B10R1.25 CSc1ccc(cc1O)Cl 62a_200000210301_100000050036 [2,0,0,0,0,0|1,1,0]=4 2242 B10R1.25 CSc1ccc(cc1O)F 271570a_203496583355_100009817003 [2,0,0,0,0,0|1,1,0]=4 2243 B10R1.25 CSc1ccc(cc1O)F 62a_100000690578_200000210301 [2,0,0,0,0,0|1,1,0]=4 2244 B10R1.25 CSc1ccc(cc1O)F 62a_200000210301_100000690578 [2,0,0,0,0,0|1,1,0]=4 2245 B10R1.25 CSc1ccc(cc1O)O 62a_200000210301_100009813921 [2,0,0,0,0,0|0,1,1]=4 2246 B10R1.25 Cc1cc(c(cn1)O[13CH3])C 34a_200000068632_200025704644 [2,0,0,0,0,0|1,0,1]=4 2247 B10R1.25 Cc1cc(c(cn1)O[13CH3])C 7a_200000068632_200025704644 [2,0,0,0,0,0|1,0,1]=4 2248 B10R1.25 Cc1cc(ccc1N[13CH3])Br 34a_100000211769_200025704644 [2,0,0,0,0,0|2,0,0]=4 2249 B10R1.25 Cc1cc(ccc1N[13CH3])Br 7a_100000211769_200025704644 [2,0,0,0,0,0|2,0,0]=4 2250 B10R1.25 Cc1cc(ccc1N[13CH3])Cl 34a_100000210418_200025704644 [2,0,0,0,0,0|2,0,0]=4 2251 B10R1.25 Cc1cc(ccc1N[13CH3])Cl 7a_100000210418_200025704644 [2,0,0,0,0,0|2,0,0]=4 2252 B10R1.25 Cc1cc(ccc1N[13CH3])F 34a_100000211637_200025704644 [2,0,0,0,0,0|2,0,0]=4 2253 B10R1.25 Cc1cc(ccc1N[13CH3])F 7a_100000211637_200025704644 [2,0,0,0,0,0|2,0,0]=4 2254 B10R1.25 Cc1cc(ccc1N[13CH3])I 34a_100000184554_200025704644 [2,0,0,0,0,0|2,0,0]=4 2255 B10R1.25 Cc1cc(ccc1N[13CH3])I 7a_100000184554_200025704644 [2,0,0,0,0,0|2,0,0]=4 2256 B10R1.25 Cc1cc(ccc1N[13CH3])O 34a_100000756630_200025704644 [2,0,0,0,0,0|1,0,1]=4 2257 B10R1.25 Cc1cc(ccc1O[13CH3])Br 34a_100000186361_200025704644 [2,0,0,0,0,0|1,0,0]=3 2258 B10R1.25 Cc1cc(ccc1O[13CH3])Br 7a_100000186361_200025704644 [2,0,0,0,0,0|1,0,0]=3 2259 B10R1.25 Cc1cc(ccc1O[13CH3])Cl 34a_100000211091_200025704644 [2,0,0,0,0,0|1,0,0]=3 2260 B10R1.25 Cc1cc(ccc1O[13CH3])Cl 7a_100000211091_200025704644 [2,0,0,0,0,0|1,0,0]=3 2261 B10R1.25 Cc1cc(ccc1O[13CH3])F 34a_100000764316_200025704644 [2,0,0,0,0,0|1,0,0]=3 2262 B10R1.25 Cc1cc(ccc1O[13CH3])F 7a_100000764316_200025704644 [2,0,0,0,0,0|1,0,0]=3 2263 B10R1.25 Cc1cc(ccc1O[13CH3])I 34a_100011218673_200025704644 [2,0,0,0,0,0|1,0,0]=3 2264 B10R1.25 Cc1cc(ccc1O[13CH3])I 7a_100011218673_200025704644 [2,0,0,0,0,0|1,0,0]=3 2265 B10R1.25 Cc1cc(ccc1O[13CH3])N 34a_100011218179_200025704644 [2,0,0,0,0,0|1,0,0]=3 2266 B10R1.25 Cc1cc(ccc1O[13CH3])N 7a_100011218179_200025704644 [2,0,0,0,0,0|1,0,0]=3 2267 B10R1.25 Cc1cc(ccc1S[13CH3])Br 62a_100000701812_200025704644 [2,0,0,0,0,0|1,1,0]=4 2268 B10R1.25 Cc1cc(ccc1S[13CH3])Br 62a_200025704644_100000701812 [2,0,0,0,0,0|1,1,0]=4 2269 B10R1.25 Cc1cc(ccc1S[13CH3])Cl 62a_100011219607_200025704644 [2,0,0,0,0,0|1,1,0]=4 2270 B10R1.25 Cc1cc(ccc1S[13CH3])Cl 62a_200025704644_100011219607 [2,0,0,0,0,0|1,1,0]=4 2271 B10R1.25 Cc1cc(ccc1S[13CH3])F 62a_100011205405_200025704644 [2,0,0,0,0,0|1,1,0]=4 2272 B10R1.25 Cc1cc(ccc1S[13CH3])F 62a_200025704644_100011205405 [2,0,0,0,0,0|1,1,0]=4 2273 B10R1.25 Cc1cc(ccc1S[13CH3])N 62a_100000210723_200025704644 [2,0,0,0,0,0|1,1,0]=4 2274 B10R1.25 Cc1cc(ccc1S[13CH3])N 62a_200025704644_100000210723 [2,0,0,0,0,0|1,1,0]=4 2275 B10R1.25 Cc1cc(ccc1S[13CH3])O 62a_200025704644_100000690111 [2,0,0,0,0,0|0,1,1]=4 2276 B10R1.25 Cc1cc(cnc1O[13CH3])Br 34a_100000685391_200025704644 [2,0,0,0,0,0|2,0,0]=4 2277 B10R1.25 Cc1cc(ncc1O[13CH3])Cl 34a_100000692680_200025704644 [2,0,0,0,0,0|2,0,0]=4 2278 B10R1.25 Cc1cc(ncc1O[13CH3])Cl 7a_100000692680_200025704644 [2,0,0,0,0,0|2,0,0]=4 2279 B10R1.25 Cc1cc(ncc1O[13CH3])F 34a_100009856773_200025704644 [2,0,0,0,0,0|2,0,0]=4 2280 B10R1.25 Cc1cc(ncc1O[13CH3])F 7a_100009856773_200025704644 [2,0,0,0,0,0|2,0,0]=4 2281 B10R1.25 Cc1ccc(c(c1)Br)O[13CH3] 34a_100000210800_200025704644 [2,0,0,0,0,0|1,0,1]=4 2282 B10R1.25 Cc1ccc(c(c1)Br)O[13CH3] 7a_100000210800_200025704644 [2,0,0,0,0,0|1,0,1]=4 2283 B10R1.25 Cc1ccc(c(c1)C)N[13CH3] 34a_100000736561_200025704644 [2,0,0,0,0,0|1,0,1]=4 2284 B10R1.25 Cc1ccc(c(c1)C)N[13CH3] 7a_100000736561_200025704644 [2,0,0,0,0,0|1,0,1]=4 2285 B10R1.25 Cc1ccc(c(c1)C)O[13CH3] 34a_100000211776_200025704644 [2,0,0,0,0,0|0,0,1]=3 2286 B10R1.25 Cc1ccc(c(c1)C)O[13CH3] 7a_100000211776_200025704644 [2,0,0,0,0,0|0,0,1]=3 2287 B10R1.25 Cc1ccc(c(c1)C)S[13CH3] 62a_100011217332_200025704644 [2,0,0,0,0,0|0,1,1]=4 2288 B10R1.25 Cc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100011217332 [2,0,0,0,0,0|0,1,1]=4 2289 B10R1.25 Cc1ccc(c(c1)Cl)O[13CH3] 34a_100000749699_200025704644 [2,0,0,0,0,0|1,0,1]=4 2290 B10R1.25 Cc1ccc(c(c1)Cl)O[13CH3] 7a_100000749699_200025704644 [2,0,0,0,0,0|1,0,1]=4 2291 B10R1.25 Cc1ccc(c(c1)F)O[13CH3] 34a_100011216688_200025704644 [2,0,0,0,0,0|1,0,1]=4 2292 B10R1.25 Cc1ccc(c(c1)F)O[13CH3] 7a_100011216688_200025704644 [2,0,0,0,0,0|1,0,1]=4 2293 B10R1.25 Cc1ccc(c(c1)I)O[13CH3] 34a_100000765521_200025704644 [2,0,0,0,0,0|1,0,1]=4 2294 B10R1.25 Cc1ccc(c(c1)I)O[13CH3] 7a_100000765521_200025704644 [2,0,0,0,0,0|1,0,1]=4 2295 B10R1.25 Cc1ccc(c(c1)N)O[13CH3] 34a_100011215204_200025704644 [2,0,0,0,0,0|1,0,1]=4 2296 B10R1.25 Cc1ccc(c(c1)N)O[13CH3] 7a_100011215204_200025704644 [2,0,0,0,0,0|1,0,1]=4 2297 B10R1.25 Cc1ccc(c(c1)O)N[13CH3] 34a_100000211527_200025704644 [2,0,0,0,0,0|1,0,1]=4 2298 B10R1.25 Cc1ccc(c(c1)O)S[13CH3] 62a_100012002257_200025704644 [2,0,0,0,0,0|0,1,1]=4 2299 B10R1.25 Cc1ccc(c(c1)O)S[13CH3] 62a_200025704644_100012002257 [2,0,0,0,0,0|0,1,1]=4 2300 B10R1.25 Cc1ccc(c(n1)C)O[13CH3] 34a_100011218912_200025704644 [2,0,0,0,0,0|1,0,1]=4 2301 B10R1.25 Cc1ccc(c(n1)C)O[13CH3] 7a_100011218912_200025704644 [2,0,0,0,0,0|1,0,1]=4 2302 B10R1.25 Cc1nc(ccc1O[13CH3])Br 34a_100012002022_200025704644 [2,0,0,0,0,0|2,0,0]=4 2303 B10R1.25 Cc1nc(ccc1O[13CH3])Br 7a_100012002022_200025704644 [2,0,0,0,0,0|2,0,0]=4 2304 B10R1.25 Cc1nc(ccc1O[13CH3])Cl 34a_100012184626_200025704644 [2,0,0,0,0,0|2,0,0]=4 2305 B10R1.25 Cc1nc(ccc1O[13CH3])Cl 7a_100012184626_200025704644 [2,0,0,0,0,0|2,0,0]=4 2306 B10R1.25 Cc1nc(ccc1O[13CH3])F 34a_100009881036_200025704644 [2,0,0,0,0,0|2,0,0]=4 2307 B10R1.25 Cc1nc(ccc1O[13CH3])F 7a_100009881036_200025704644 [2,0,0,0,0,0|2,0,0]=4 2308 B10R1.25 Cc1nc(ccc1O[13CH3])I 34a_100010233687_200025704644 [2,0,0,0,0,0|2,0,0]=4 2309 B10R1.25 Cc1nc(ccc1O[13CH3])I 7a_100010233687_200025704644 [2,0,0,0,0,0|2,0,0]=4 2310 B10R1.25 [13CH3]Nc1ccc(cc1O)Br 34a_100000739049_200025704644 [2,0,0,0,0,0|2,0,0]=4 2311 B10R1.25 [13CH3]Nc1ccc(cc1O)Cl 34a_100000185728_200025704644 [2,0,0,0,0,0|2,0,0]=4 2312 B10R1.25 [13CH3]Nc1ccc(cc1O)F 34a_100000753323_200025704644 [2,0,0,0,0,0|2,0,0]=4 2313 B10R1.25 [13CH3]Nc1ccc(cc1O)O 34a_100000106777_200025704644 [2,0,0,0,0,0|1,0,1]=4 2314 B10R1.25 [13CH3]Oc1ccc(cc1Br)Br 34a_100000188717_200025704644 [2,0,0,0,0,0|2,0,0]=4 2315 B10R1.25 [13CH3]Oc1ccc(cc1Br)Br 7a_100000188717_200025704644 [2,0,0,0,0,0|2,0,0]=4 2316 B10R1.25 [13CH3]Oc1ccc(cc1Br)Cl 34a_100000211998_200025704644 [2,0,0,0,0,0|2,0,0]=4 2317 B10R1.25 [13CH3]Oc1ccc(cc1Br)Cl 7a_100000211998_200025704644 [2,0,0,0,0,0|2,0,0]=4 2318 B10R1.25 [13CH3]Oc1ccc(cc1Br)F 34a_100000211999_200025704644 [2,0,0,0,0,0|2,0,0]=4 2319 B10R1.25 [13CH3]Oc1ccc(cc1Br)F 7a_100000211999_200025704644 [2,0,0,0,0,0|2,0,0]=4 2320 B10R1.25 [13CH3]Oc1ccc(cc1Br)I 34a_100012361655_200025704644 [2,0,0,0,0,0|2,0,0]=4 2321 B10R1.25 [13CH3]Oc1ccc(cc1Br)I 7a_100012361655_200025704644 [2,0,0,0,0,0|2,0,0]=4 2322 B10R1.25 [13CH3]Oc1ccc(cc1Br)N 34a_100011534360_200025704644 [2,0,0,0,0,0|2,0,0]=4 2323 B10R1.25 [13CH3]Oc1ccc(cc1Br)N 7a_100011534360_200025704644 [2,0,0,0,0,0|2,0,0]=4 2324 B10R1.25 [13CH3]Oc1ccc(cc1Cl)Br 34a_100000186472_200025704644 [2,0,0,0,0,0|2,0,0]=4 2325 B10R1.25 [13CH3]Oc1ccc(cc1Cl)Br 7a_100000186472_200025704644 [2,0,0,0,0,0|2,0,0]=4 2326 B10R1.25 [13CH3]Oc1ccc(cc1Cl)Cl 34a_100015191787_200025704644 [2,0,0,0,0,0|2,0,0]=4 2327 B10R1.25 [13CH3]Oc1ccc(cc1Cl)Cl 7a_100015191787_200025704644 [2,0,0,0,0,0|2,0,0]=4 2328 B10R1.25 [13CH3]Oc1ccc(cc1Cl)F 34a_100000212004_200025704644 [2,0,0,0,0,0|2,0,0]=4 2329 B10R1.25 [13CH3]Oc1ccc(cc1Cl)F 7a_100000212004_200025704644 [2,0,0,0,0,0|2,0,0]=4 2330 B10R1.25 [13CH3]Oc1ccc(cc1Cl)I 34a_100012360047_200025704644 [2,0,0,0,0,0|2,0,0]=4 2331 B10R1.25 [13CH3]Oc1ccc(cc1Cl)I 7a_100012360047_200025704644 [2,0,0,0,0,0|2,0,0]=4 2332 B10R1.25 [13CH3]Oc1ccc(cc1Cl)N 34a_100000744943_200025704644 [2,0,0,0,0,0|2,0,0]=4 2333 B10R1.25 [13CH3]Oc1ccc(cc1Cl)N 7a_100000744943_200025704644 [2,0,0,0,0,0|2,0,0]=4 2334 B10R1.25 [13CH3]Oc1ccc(cc1F)Br 34a_100000185481_200025704644 [2,0,0,0,0,0|2,0,0]=4 2335 B10R1.25 [13CH3]Oc1ccc(cc1F)Br 7a_100000185481_200025704644 [2,0,0,0,0,0|2,0,0]=4 2336 B10R1.25 [13CH3]Oc1ccc(cc1F)Cl 34a_100000230166_200025704644 [2,0,0,0,0,0|2,0,0]=4 2337 B10R1.25 [13CH3]Oc1ccc(cc1F)Cl 7a_100000230166_200025704644 [2,0,0,0,0,0|2,0,0]=4 2338 B10R1.25 [13CH3]Oc1ccc(cc1F)F 34a_100000230127_200025704644 [2,0,0,0,0,0|2,0,0]=4 2339 B10R1.25 [13CH3]Oc1ccc(cc1F)F 7a_100000230127_200025704644 [2,0,0,0,0,0|2,0,0]=4 2340 B10R1.25 [13CH3]Oc1ccc(cc1F)I 34a_100011356965_200025704644 [2,0,0,0,0,0|2,0,0]=4 2341 B10R1.25 [13CH3]Oc1ccc(cc1F)I 7a_100011356965_200025704644 [2,0,0,0,0,0|2,0,0]=4 2342 B10R1.25 [13CH3]Oc1ccc(cc1F)N 34a_100011220035_200025704644 [2,0,0,0,0,0|2,0,0]=4 2343 B10R1.25 [13CH3]Oc1ccc(cc1F)N 7a_100011220035_200025704644 [2,0,0,0,0,0|2,0,0]=4 2344 B10R1.25 [13CH3]Oc1ccc(cc1I)Br 34a_100012355227_200025704644 [2,0,0,0,0,0|2,0,0]=4 2345 B10R1.25 [13CH3]Oc1ccc(cc1I)Br 7a_100012355227_200025704644 [2,0,0,0,0,0|2,0,0]=4 2346 B10R1.25 [13CH3]Oc1ccc(cc1I)Cl 34a_100011356953_200025704644 [2,0,0,0,0,0|2,0,0]=4 2347 B10R1.25 [13CH3]Oc1ccc(cc1I)Cl 7a_100011356953_200025704644 [2,0,0,0,0,0|2,0,0]=4 2348 B10R1.25 [13CH3]Oc1ccc(cc1I)F 34a_100012355409_200025704644 [2,0,0,0,0,0|2,0,0]=4 2349 B10R1.25 [13CH3]Oc1ccc(cc1I)F 7a_100012355409_200025704644 [2,0,0,0,0,0|2,0,0]=4 2350 B10R1.25 [13CH3]Oc1ccc(cc1I)I 7a_100010001573_200025704644 [2,0,0,0,0,0|2,0,0]=4 2351 B10R1.25 [13CH3]Oc1ccc(cc1N)Br 34a_100000752626_200025704644 [2,0,0,0,0,0|2,0,0]=4 2352 B10R1.25 [13CH3]Oc1ccc(cc1N)Br 7a_100000752626_200025704644 [2,0,0,0,0,0|2,0,0]=4 2353 B10R1.25 [13CH3]Oc1ccc(cc1N)Cl 34a_100000210500_200025704644 [2,0,0,0,0,0|2,0,0]=4 2354 B10R1.25 [13CH3]Oc1ccc(cc1N)Cl 7a_100000210500_200025704644 [2,0,0,0,0,0|2,0,0]=4 2355 B10R1.25 [13CH3]Oc1ccc(cc1N)F 34a_100000759472_200025704644 [2,0,0,0,0,0|2,0,0]=4 2356 B10R1.25 [13CH3]Oc1ccc(cc1N)F 7a_100000759472_200025704644 [2,0,0,0,0,0|2,0,0]=4 2357 B10R1.25 [13CH3]Oc1ccc(cc1N)I 34a_100000753495_200025704644 [2,0,0,0,0,0|2,0,0]=4 2358 B10R1.25 [13CH3]Oc1ccc(cc1N)I 7a_100000753495_200025704644 [2,0,0,0,0,0|2,0,0]=4 2359 B10R1.25 [13CH3]Oc1ccc(cc1N)N 34a_100000725306_200025704644 [2,0,0,0,0,0|2,0,0]=4 2360 B10R1.25 [13CH3]Sc1ccc(cc1O)Br 62a_100012344904_200025704644 [2,0,0,0,0,0|1,1,0]=4 2361 B10R1.25 [13CH3]Sc1ccc(cc1O)Br 62a_200025704644_100012344904 [2,0,0,0,0,0|1,1,0]=4 2362 B10R1.25 [13CH3]Sc1ccc(cc1O)Cl 62a_100000050036_200025704644 [2,0,0,0,0,0|1,1,0]=4 2363 B10R1.25 [13CH3]Sc1ccc(cc1O)Cl 62a_200025704644_100000050036 [2,0,0,0,0,0|1,1,0]=4 2364 B10R1.25 [13CH3]Sc1ccc(cc1O)F 62a_100000690578_200025704644 [2,0,0,0,0,0|1,1,0]=4 2365 B10R1.25 [13CH3]Sc1ccc(cc1O)F 62a_200025704644_100000690578 [2,0,0,0,0,0|1,1,0]=4 2366 B10R1.25 [13CH3]Sc1ccc(cc1O)O 62a_200025704644_100009813921 [2,0,0,0,0,0|0,1,1]=4 2367 B10R1.30 CCc1cc(ccc1O)Br 271570a_203496583355_100011216195 [2,0,0,0,0,0|2,0,0]=4 2368 B10R1.30 CCc1cc(ccc1O)N 271570a_203496583355_100010109747 [2,0,0,0,0,0|2,0,0]=4 2369 B10R1.30 CCc1cc(ccc1O)O 271570a_203496583355_100012338938 [2,0,0,0,0,0|1,0,1]=4 2370 B10R1.30 CNc1cc(ccc1C)Br 34a_100000741167_200000210301 [2,0,0,0,0,0|2,0,0]=4 2371 B10R1.30 CNc1cc(ccc1C)Br 7a_100000741167_200000210301 [2,0,0,0,0,0|2,0,0]=4 2372 B10R1.30 CNc1cc(ccc1C)C 2230a_100000185781_200000210301 [2,0,0,0,0,0|1,0,1]=4 2373 B10R1.30 CNc1cc(ccc1C)C 34a_100000185781_200000210301 [2,0,0,0,0,0|1,0,1]=4 2374 B10R1.30 CNc1cc(ccc1C)C 7a_100000185781_200000210301 [2,0,0,0,0,0|1,0,1]=4 2375 B10R1.30 CNc1cc(ccc1C)Cl 34a_100000211374_200000210301 [2,0,0,0,0,0|2,0,0]=4 2376 B10R1.30 CNc1cc(ccc1C)Cl 7a_100000211374_200000210301 [2,0,0,0,0,0|2,0,0]=4 2377 B10R1.30 CNc1cc(ccc1C)F 34a_100000211107_200000210301 [2,0,0,0,0,0|2,0,0]=4 2378 B10R1.30 CNc1cc(ccc1C)F 7a_100000211107_200000210301 [2,0,0,0,0,0|2,0,0]=4 2379 B10R1.30 CNc1cc(ccc1C)I 7a_100000761890_200000210301 [2,0,0,0,0,0|2,0,0]=4 2380 B10R1.30 CNc1cc(ccc1C)O 271570a_203496583355_100020629602 [2,0,0,0,0,0|1,0,1]=4 2381 B10R1.30 CNc1cc(ccc1C)O 34a_100011216113_200000210301 [2,0,0,0,0,0|1,0,1]=4 2382 B10R1.30 CNc1cc(ccc1O)Br 34a_100000752626_200000210301 [2,0,0,0,0,0|2,0,0]=4 2383 B10R1.30 CNc1cc(ccc1O)C 34a_100011215204_200000210301 [2,0,0,0,0,0|1,0,1]=4 2384 B10R1.30 CNc1cc(ccc1O)Cl 34a_100000210500_200000210301 [2,0,0,0,0,0|2,0,0]=4 2385 B10R1.30 CNc1cc(ccc1O)F 271570a_203496583355_100020633008 [2,0,0,0,0,0|2,0,0]=4 2386 B10R1.30 CNc1cc(ccc1O)F 34a_100000759472_200000210301 [2,0,0,0,0,0|2,0,0]=4 2387 B10R1.30 COc1cc(=O)[nH]cc1Cl 34a_100000069390_200000210301 [2,0,0,0,0,0|2,0,0]=4 2388 B10R1.30 COc1cc(ccc1Br)Br 34a_100011220040_200000210301 [2,0,0,0,0,0|2,0,0]=4 2389 B10R1.30 COc1cc(ccc1Br)Br 7a_100011220040_200000210301 [2,0,0,0,0,0|2,0,0]=4 2390 B10R1.30 COc1cc(ccc1Br)C 34a_100012002257_200000210301 [2,0,0,0,0,0|1,0,1]=4 2391 B10R1.30 COc1cc(ccc1Br)C 7a_100012002257_200000210301 [2,0,0,0,0,0|1,0,1]=4 2392 B10R1.30 COc1cc(ccc1Br)Cl 34a_100012339455_200000210301 [2,0,0,0,0,0|2,0,0]=4 2393 B10R1.30 COc1cc(ccc1Br)Cl 7a_100012339455_200000210301 [2,0,0,0,0,0|2,0,0]=4 2394 B10R1.30 COc1cc(ccc1Br)F 34a_100000690578_200000210301 [2,0,0,0,0,0|2,0,0]=4 2395 B10R1.30 COc1cc(ccc1Br)F 7a_100000690578_200000210301 [2,0,0,0,0,0|2,0,0]=4 2396 B10R1.30 COc1cc(ccc1Br)I 34a_100012356990_200000210301 [2,0,0,0,0,0|2,0,0]=4 2397 B10R1.30 COc1cc(ccc1Br)I 7a_100012356990_200000210301 [2,0,0,0,0,0|2,0,0]=4 2398 B10R1.30 COc1cc(ccc1Br)O 271570a_203496583355_100012353699 [2,0,0,0,0,0|1,0,1]=4 2399 B10R1.30 COc1cc(ccc1C)Br 34a_100000685420_200000210301 [2,0,0,0,0,0|1,0,0]=3 2400 B10R1.30 COc1cc(ccc1C)Br 7a_100000685420_200000210301 [2,0,0,0,0,0|1,0,0]=3 2401 B10R1.30 COc1cc(ccc1C)C 34a_100000210931_200000210301 [2,0,0,0,0,0|0,0,1]=3 2402 B10R1.30 COc1cc(ccc1C)C 7a_100000210931_200000210301 [2,0,0,0,0,0|0,0,1]=3 2403 B10R1.30 COc1cc(ccc1C)Cl 34a_100000756515_200000210301 [2,0,0,0,0,0|1,0,0]=3 2404 B10R1.30 COc1cc(ccc1C)Cl 7a_100000756515_200000210301 [2,0,0,0,0,0|1,0,0]=3 2405 B10R1.30 COc1cc(ccc1C)F 34a_100000690566_200000210301 [2,0,0,0,0,0|1,0,0]=3 2406 B10R1.30 COc1cc(ccc1C)F 7a_100000690566_200000210301 [2,0,0,0,0,0|1,0,0]=3 2407 B10R1.30 COc1cc(ccc1C)I 7a_100000766334_200000210301 [2,0,0,0,0,0|1,0,0]=3 2408 B10R1.30 COc1cc(ccc1C)N 34a_100000759471_200000210301 [2,0,0,0,0,0|1,0,0]=3 2409 B10R1.30 COc1cc(ccc1C)N 7a_100000759471_200000210301 [2,0,0,0,0,0|1,0,0]=3 2410 B10R1.30 COc1cc(ccc1C)O 271570a_203496583355_100011830276 [2,0,0,0,0,0|0,0,1]=3 2411 B10R1.30 COc1cc(ccc1Cl)Br 34a_100000738945_200000210301 [2,0,0,0,0,0|2,0,0]=4 2412 B10R1.30 COc1cc(ccc1Cl)Br 7a_100000738945_200000210301 [2,0,0,0,0,0|2,0,0]=4 2413 B10R1.30 COc1cc(ccc1Cl)C 34a_100000211493_200000210301 [2,0,0,0,0,0|1,0,1]=4 2414 B10R1.30 COc1cc(ccc1Cl)C 7a_100000211493_200000210301 [2,0,0,0,0,0|1,0,1]=4 2415 B10R1.30 COc1cc(ccc1Cl)Cl 34a_100000211422_200000210301 [2,0,0,0,0,0|2,0,0]=4 2416 B10R1.30 COc1cc(ccc1Cl)Cl 7a_100000211422_200000210301 [2,0,0,0,0,0|2,0,0]=4 2417 B10R1.30 COc1cc(ccc1Cl)F 34a_100000692107_200000210301 [2,0,0,0,0,0|2,0,0]=4 2418 B10R1.30 COc1cc(ccc1Cl)F 7a_100000692107_200000210301 [2,0,0,0,0,0|2,0,0]=4 2419 B10R1.30 COc1cc(ccc1Cl)I 34a_100011356854_200000210301 [2,0,0,0,0,0|2,0,0]=4 2420 B10R1.30 COc1cc(ccc1Cl)I 7a_100011356854_200000210301 [2,0,0,0,0,0|2,0,0]=4 2421 B10R1.30 COc1cc(ccc1Cl)N 34a_100011934209_200000210301 [2,0,0,0,0,0|2,0,0]=4 2422 B10R1.30 COc1cc(ccc1Cl)O 271570a_203496583355_100011356853 [2,0,0,0,0,0|1,0,1]=4 2423 B10R1.30 COc1cc(ccc1F)Br 34a_100000686035_200000210301 [2,0,0,0,0,0|2,0,0]=4 2424 B10R1.30 COc1cc(ccc1F)Br 7a_100000686035_200000210301 [2,0,0,0,0,0|2,0,0]=4 2425 B10R1.30 COc1cc(ccc1F)C 34a_100000759540_200000210301 [2,0,0,0,0,0|1,0,1]=4 2426 B10R1.30 COc1cc(ccc1F)C 7a_100000759540_200000210301 [2,0,0,0,0,0|1,0,1]=4 2427 B10R1.30 COc1cc(ccc1F)Cl 34a_100000757397_200000210301 [2,0,0,0,0,0|2,0,0]=4 2428 B10R1.30 COc1cc(ccc1F)Cl 7a_100000757397_200000210301 [2,0,0,0,0,0|2,0,0]=4 2429 B10R1.30 COc1cc(ccc1F)F 34a_100000752141_200000210301 [2,0,0,0,0,0|2,0,0]=4 2430 B10R1.30 COc1cc(ccc1F)F 7a_100000752141_200000210301 [2,0,0,0,0,0|2,0,0]=4 2431 B10R1.30 COc1cc(ccc1F)I 34a_100009958187_200000210301 [2,0,0,0,0,0|2,0,0]=4 2432 B10R1.30 COc1cc(ccc1F)I 7a_100009958187_200000210301 [2,0,0,0,0,0|2,0,0]=4 2433 B10R1.30 COc1cc(ccc1F)N 34a_100012017398_200000210301 [2,0,0,0,0,0|2,0,0]=4 2434 B10R1.30 COc1cc(ccc1F)N 7a_100012017398_200000210301 [2,0,0,0,0,0|2,0,0]=4 2435 B10R1.30 COc1cc(ccc1F)O 271570a_203496583355_100011934186 [2,0,0,0,0,0|1,0,1]=4 2436 B10R1.30 COc1cc(ccc1I)Br 34a_100012344904_200000210301 [2,0,0,0,0,0|2,0,0]=4 2437 B10R1.30 COc1cc(ccc1I)Br 7a_100012344904_200000210301 [2,0,0,0,0,0|2,0,0]=4 2438 B10R1.30 COc1cc(ccc1I)Cl 34a_100000050036_200000210301 [2,0,0,0,0,0|2,0,0]=4 2439 B10R1.30 COc1cc(ccc1I)Cl 7a_100000050036_200000210301 [2,0,0,0,0,0|2,0,0]=4 2440 B10R1.30 COc1cc(ccc1I)F 34a_100010084537_200000210301 [2,0,0,0,0,0|2,0,0]=4 2441 B10R1.30 COc1cc(ccc1I)F 7a_100010084537_200000210301 [2,0,0,0,0,0|2,0,0]=4 2442 B10R1.30 COc1cc(ccc1N)Br 34a_100000739049_200000210301 [2,0,0,0,0,0|2,0,0]=4 2443 B10R1.30 COc1cc(ccc1N)Br 7a_100000739049_200000210301 [2,0,0,0,0,0|2,0,0]=4 2444 B10R1.30 COc1cc(ccc1N)C 34a_100000211527_200000210301 [2,0,0,0,0,0|1,0,1]=4 2445 B10R1.30 COc1cc(ccc1N)C 7a_100000211527_200000210301 [2,0,0,0,0,0|1,0,1]=4 2446 B10R1.30 COc1cc(ccc1N)Cl 34a_100000185728_200000210301 [2,0,0,0,0,0|2,0,0]=4 2447 B10R1.30 COc1cc(ccc1N)Cl 7a_100000185728_200000210301 [2,0,0,0,0,0|2,0,0]=4 2448 B10R1.30 COc1cc(ccc1N)F 34a_100000753323_200000210301 [2,0,0,0,0,0|2,0,0]=4 2449 B10R1.30 COc1cc(ccc1N)F 7a_100000753323_200000210301 [2,0,0,0,0,0|2,0,0]=4 2450 B10R1.30 COc1cc(ccc1N)I 34a_100000057187_200000210301 [2,0,0,0,0,0|2,0,0]=4 2451 B10R1.30 COc1cc(ccc1N)I 7a_100000057187_200000210301 [2,0,0,0,0,0|2,0,0]=4 2452 B10R1.30 COc1cc(ccc1N)N 34a_100025717382_200000210301 [2,0,0,0,0,0|2,0,0]=4 2453 B10R1.30 COc1cc(ccc1N)O 271570a_203496583355_100011279103 [2,0,0,0,0,0|1,0,1]=4 2454 B10R1.30 COc1cc(ccc1O)Br 271570a_203496583355_100010245111 [2,0,0,0,0,0|1,0,0]=3 2455 B10R1.30 COc1cc(ccc1O)C 271570a_203496583355_100010200004 [2,0,0,0,0,0|0,0,1]=3 2456 B10R1.30 COc1cc(ccc1O)Cl 271570a_203496583355_100000050115 [2,0,0,0,0,0|1,0,0]=3 2457 B10R1.30 COc1cc(ccc1O)F 271570a_203496583355_100000757151 [2,0,0,0,0,0|1,0,0]=3 2458 B10R1.30 COc1cc(ccc1O)N 271570a_203496583355_100000765947 [2,0,0,0,0,0|1,0,0]=3 2459 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100000694246 [2,0,0,0,0,0|0,0,1]=3 2460 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100011827694 [2,0,0,0,0,0|0,0,1]=3 2461 B10R1.30 COc1cc(cnc1C)Br 34a_100009864810_200000210301 [2,0,0,0,0,0|2,0,0]=4 2462 B10R1.30 COc1cc(cnc1C)Br 7a_100009864810_200000210301 [2,0,0,0,0,0|2,0,0]=4 2463 B10R1.30 COc1cc(cnc1C)O 271570a_203496583355_100010254219 [2,0,0,0,0,0|1,0,1]=4 2464 B10R1.30 COc1cc(cnc1O)C 271570a_203496583355_200000118316 [2,0,0,0,0,0|1,0,1]=4 2465 B10R1.30 COc1cc(cnc1O)F 271570a_203496583355_100009867738 [2,0,0,0,0,0|2,0,0]=4 2466 B10R1.30 COc1cc(cnc1O)N 271570a_203496583355_100000097218 [2,0,0,0,0,0|2,0,0]=4 2467 B10R1.30 COc1cc(ncc1C)Br 34a_100000704368_200000210301 [2,0,0,0,0,0|2,0,0]=4 2468 B10R1.30 COc1cc(ncc1C)Br 7a_100000704368_200000210301 [2,0,0,0,0,0|2,0,0]=4 2469 B10R1.30 COc1cc(ncc1C)O 271570a_203496583355_100010067687 [2,0,0,0,0,0|1,0,1]=4 2470 B10R1.30 COc1cc(ncc1O)C 271570a_203496583355_100000717771 [2,0,0,0,0,0|1,0,1]=4 2471 B10R1.30 COc1cc(ncc1O)Cl 271570a_203496583355_100010154656 [2,0,0,0,0,0|2,0,0]=4 2472 B10R1.30 COc1cc(ncc1O)F 271570a_203496583355_100010135560 [2,0,0,0,0,0|2,0,0]=4 2473 B10R1.30 COc1cc(ncc1O)N 271570a_203496583355_100015506990 [2,0,0,0,0,0|2,0,0]=4 2474 B10R1.30 COc1nc(ccc1O)C 271570a_203496583355_100010138632 [2,0,0,0,0,0|1,0,1]=4 2475 B10R1.30 COc1nc(ccc1O)N 271570a_203496583355_100010187630 [2,0,0,0,0,0|2,0,0]=4 2476 B10R1.30 COc1nc(ccc1O)O 271570a_203496583355_100010893133 [2,0,0,0,0,0|1,0,1]=4 2477 B10R1.30 CSc1cc(ccc1C)Br 62a_100011344865_200000210301 [2,0,0,0,0,0|1,1,0]=4 2478 B10R1.30 CSc1cc(ccc1C)Br 62a_200000210301_100011344865 [2,0,0,0,0,0|1,1,0]=4 2479 B10R1.30 CSc1cc(ccc1C)C 62a_100000210833_200000210301 [2,0,0,0,0,0|0,1,1]=4 2480 B10R1.30 CSc1cc(ccc1C)C 62a_200000210301_100000210833 [2,0,0,0,0,0|0,1,1]=4 2481 B10R1.30 CSc1cc(ccc1C)Cl 62a_100011263213_200000210301 [2,0,0,0,0,0|1,1,0]=4 2482 B10R1.30 CSc1cc(ccc1C)Cl 62a_200000210301_100011263213 [2,0,0,0,0,0|1,1,0]=4 2483 B10R1.30 CSc1cc(ccc1C)F 62a_100011218078_200000210301 [2,0,0,0,0,0|1,1,0]=4 2484 B10R1.30 CSc1cc(ccc1C)F 62a_200000210301_100011218078 [2,0,0,0,0,0|1,1,0]=4 2485 B10R1.30 CSc1cc(ccc1C)N 62a_100000736455_200000210301 [2,0,0,0,0,0|1,1,0]=4 2486 B10R1.30 CSc1cc(ccc1C)N 62a_200000210301_100000736455 [2,0,0,0,0,0|1,1,0]=4 2487 B10R1.30 CSc1cc(ccc1C)O 62a_100011380479_200000210301 [2,0,0,0,0,0|0,1,1]=4 2488 B10R1.30 CSc1cc(ccc1C)O 62a_200000210301_100011380479 [2,0,0,0,0,0|0,1,1]=4 2489 B10R1.30 CSc1cc(ccc1O)Br 62a_100012355227_200000210301 [2,0,0,0,0,0|1,1,0]=4 2490 B10R1.30 CSc1cc(ccc1O)Br 62a_200000210301_100012355227 [2,0,0,0,0,0|1,1,0]=4 2491 B10R1.30 CSc1cc(ccc1O)C 271570a_203496583355_200010709736 [2,0,0,0,0,0|0,1,1]=4 2492 B10R1.30 CSc1cc(ccc1O)C 62a_100000765521_200000210301 [2,0,0,0,0,0|0,1,1]=4 2493 B10R1.30 CSc1cc(ccc1O)C 62a_200000210301_100000765521 [2,0,0,0,0,0|0,1,1]=4 2494 B10R1.30 CSc1cc(ccc1O)Cl 62a_100011356953_200000210301 [2,0,0,0,0,0|1,1,0]=4 2495 B10R1.30 CSc1cc(ccc1O)Cl 62a_200000210301_100011356953 [2,0,0,0,0,0|1,1,0]=4 2496 B10R1.30 CSc1cc(ccc1O)F 62a_100000211999_200000210301 [2,0,0,0,0,0|1,1,0]=4 2497 B10R1.30 CSc1cc(ccc1O)F 62a_200000210301_100000211999 [2,0,0,0,0,0|1,1,0]=4 2498 B10R1.30 CSc1cc(ccc1O)N 62a_100011534360_200000210301 [2,0,0,0,0,0|1,1,0]=4 2499 B10R1.30 CSc1cc(ccc1O)N 62a_200000210301_100011534360 [2,0,0,0,0,0|1,1,0]=4 2500 B10R1.30 CSc1cc(ccc1O)O 62a_200000210301_100009813629 [2,0,0,0,0,0|0,1,1]=4 2501 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 2230a_100000185781_200025704644 [2,0,0,0,0,0|1,0,1]=4 2502 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 34a_100000185781_200025704644 [2,0,0,0,0,0|1,0,1]=4 2503 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 7a_100000185781_200025704644 [2,0,0,0,0,0|1,0,1]=4 2504 B10R1.30 Cc1ccc(c(c1)N[13CH3])O 34a_100011215204_200025704644 [2,0,0,0,0,0|1,0,1]=4 2505 B10R1.30 Cc1ccc(c(c1)O[13CH3])Br 34a_100012002257_200025704644 [2,0,0,0,0,0|1,0,1]=4 2506 B10R1.30 Cc1ccc(c(c1)O[13CH3])Br 7a_100012002257_200025704644 [2,0,0,0,0,0|1,0,1]=4 2507 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 34a_100000210931_200025704644 [2,0,0,0,0,0|0,0,1]=3 2508 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 7a_100000210931_200025704644 [2,0,0,0,0,0|0,0,1]=3 2509 B10R1.30 Cc1ccc(c(c1)O[13CH3])Cl 34a_100000211493_200025704644 [2,0,0,0,0,0|1,0,1]=4 2510 B10R1.30 Cc1ccc(c(c1)O[13CH3])Cl 7a_100000211493_200025704644 [2,0,0,0,0,0|1,0,1]=4 2511 B10R1.30 Cc1ccc(c(c1)O[13CH3])F 34a_100000759540_200025704644 [2,0,0,0,0,0|1,0,1]=4 2512 B10R1.30 Cc1ccc(c(c1)O[13CH3])F 7a_100000759540_200025704644 [2,0,0,0,0,0|1,0,1]=4 2513 B10R1.30 Cc1ccc(c(c1)O[13CH3])N 34a_100000211527_200025704644 [2,0,0,0,0,0|1,0,1]=4 2514 B10R1.30 Cc1ccc(c(c1)O[13CH3])N 7a_100000211527_200025704644 [2,0,0,0,0,0|1,0,1]=4 2515 B10R1.30 Cc1ccc(c(c1)S[13CH3])C 62a_100000210833_200025704644 [2,0,0,0,0,0|0,1,1]=4 2516 B10R1.30 Cc1ccc(c(c1)S[13CH3])C 62a_200025704644_100000210833 [2,0,0,0,0,0|0,1,1]=4 2517 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_100000765521_200025704644 [2,0,0,0,0,0|0,1,1]=4 2518 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000765521 [2,0,0,0,0,0|0,1,1]=4 2519 B10R1.30 Cc1ccc(cc1N[13CH3])Br 34a_100000741167_200025704644 [2,0,0,0,0,0|2,0,0]=4 2520 B10R1.30 Cc1ccc(cc1N[13CH3])Br 7a_100000741167_200025704644 [2,0,0,0,0,0|2,0,0]=4 2521 B10R1.30 Cc1ccc(cc1N[13CH3])Cl 34a_100000211374_200025704644 [2,0,0,0,0,0|2,0,0]=4 2522 B10R1.30 Cc1ccc(cc1N[13CH3])Cl 7a_100000211374_200025704644 [2,0,0,0,0,0|2,0,0]=4 2523 B10R1.30 Cc1ccc(cc1N[13CH3])F 34a_100000211107_200025704644 [2,0,0,0,0,0|2,0,0]=4 2524 B10R1.30 Cc1ccc(cc1N[13CH3])F 7a_100000211107_200025704644 [2,0,0,0,0,0|2,0,0]=4 2525 B10R1.30 Cc1ccc(cc1N[13CH3])I 7a_100000761890_200025704644 [2,0,0,0,0,0|2,0,0]=4 2526 B10R1.30 Cc1ccc(cc1N[13CH3])O 34a_100011216113_200025704644 [2,0,0,0,0,0|1,0,1]=4 2527 B10R1.30 Cc1ccc(cc1O[13CH3])Br 34a_100000685420_200025704644 [2,0,0,0,0,0|1,0,0]=3 2528 B10R1.30 Cc1ccc(cc1O[13CH3])Br 7a_100000685420_200025704644 [2,0,0,0,0,0|1,0,0]=3 2529 B10R1.30 Cc1ccc(cc1O[13CH3])Cl 34a_100000756515_200025704644 [2,0,0,0,0,0|1,0,0]=3 2530 B10R1.30 Cc1ccc(cc1O[13CH3])Cl 7a_100000756515_200025704644 [2,0,0,0,0,0|1,0,0]=3 2531 B10R1.30 Cc1ccc(cc1O[13CH3])F 34a_100000690566_200025704644 [2,0,0,0,0,0|1,0,0]=3 2532 B10R1.30 Cc1ccc(cc1O[13CH3])F 7a_100000690566_200025704644 [2,0,0,0,0,0|1,0,0]=3 2533 B10R1.30 Cc1ccc(cc1O[13CH3])I 7a_100000766334_200025704644 [2,0,0,0,0,0|1,0,0]=3 2534 B10R1.30 Cc1ccc(cc1O[13CH3])N 34a_100000759471_200025704644 [2,0,0,0,0,0|1,0,0]=3 2535 B10R1.30 Cc1ccc(cc1O[13CH3])N 7a_100000759471_200025704644 [2,0,0,0,0,0|1,0,0]=3 2536 B10R1.30 Cc1ccc(cc1S[13CH3])Br 62a_100011344865_200025704644 [2,0,0,0,0,0|1,1,0]=4 2537 B10R1.30 Cc1ccc(cc1S[13CH3])Br 62a_200025704644_100011344865 [2,0,0,0,0,0|1,1,0]=4 2538 B10R1.30 Cc1ccc(cc1S[13CH3])Cl 62a_100011263213_200025704644 [2,0,0,0,0,0|1,1,0]=4 2539 B10R1.30 Cc1ccc(cc1S[13CH3])Cl 62a_200025704644_100011263213 [2,0,0,0,0,0|1,1,0]=4 2540 B10R1.30 Cc1ccc(cc1S[13CH3])F 62a_100011218078_200025704644 [2,0,0,0,0,0|1,1,0]=4 2541 B10R1.30 Cc1ccc(cc1S[13CH3])F 62a_200025704644_100011218078 [2,0,0,0,0,0|1,1,0]=4 2542 B10R1.30 Cc1ccc(cc1S[13CH3])N 62a_100000736455_200025704644 [2,0,0,0,0,0|1,1,0]=4 2543 B10R1.30 Cc1ccc(cc1S[13CH3])N 62a_200025704644_100000736455 [2,0,0,0,0,0|1,1,0]=4 2544 B10R1.30 Cc1ccc(cc1S[13CH3])O 62a_100011380479_200025704644 [2,0,0,0,0,0|0,1,1]=4 2545 B10R1.30 Cc1ccc(cc1S[13CH3])O 62a_200025704644_100011380479 [2,0,0,0,0,0|0,1,1]=4 2546 B10R1.30 Cc1cnc(cc1O[13CH3])Br 34a_100000704368_200025704644 [2,0,0,0,0,0|2,0,0]=4 2547 B10R1.30 Cc1cnc(cc1O[13CH3])Br 7a_100000704368_200025704644 [2,0,0,0,0,0|2,0,0]=4 2548 B10R1.30 Cc1ncc(cc1O[13CH3])Br 34a_100009864810_200025704644 [2,0,0,0,0,0|2,0,0]=4 2549 B10R1.30 Cc1ncc(cc1O[13CH3])Br 7a_100009864810_200025704644 [2,0,0,0,0,0|2,0,0]=4 2550 B10R1.30 [13CH3]Nc1cc(ccc1O)Br 34a_100000752626_200025704644 [2,0,0,0,0,0|2,0,0]=4 2551 B10R1.30 [13CH3]Nc1cc(ccc1O)Cl 34a_100000210500_200025704644 [2,0,0,0,0,0|2,0,0]=4 2552 B10R1.30 [13CH3]Nc1cc(ccc1O)F 34a_100000759472_200025704644 [2,0,0,0,0,0|2,0,0]=4 2553 B10R1.30 [13CH3]Oc1cc(=O)[nH]cc1Cl 34a_100000069390_200025704644 [2,0,0,0,0,0|2,0,0]=4 2554 B10R1.30 [13CH3]Oc1cc(ccc1Br)Br 34a_100011220040_200025704644 [2,0,0,0,0,0|2,0,0]=4 2555 B10R1.30 [13CH3]Oc1cc(ccc1Br)Br 7a_100011220040_200025704644 [2,0,0,0,0,0|2,0,0]=4 2556 B10R1.30 [13CH3]Oc1cc(ccc1Br)Cl 34a_100012339455_200025704644 [2,0,0,0,0,0|2,0,0]=4 2557 B10R1.30 [13CH3]Oc1cc(ccc1Br)Cl 7a_100012339455_200025704644 [2,0,0,0,0,0|2,0,0]=4 2558 B10R1.30 [13CH3]Oc1cc(ccc1Br)F 34a_100000690578_200025704644 [2,0,0,0,0,0|2,0,0]=4 2559 B10R1.30 [13CH3]Oc1cc(ccc1Br)F 7a_100000690578_200025704644 [2,0,0,0,0,0|2,0,0]=4 2560 B10R1.30 [13CH3]Oc1cc(ccc1Br)I 34a_100012356990_200025704644 [2,0,0,0,0,0|2,0,0]=4 2561 B10R1.30 [13CH3]Oc1cc(ccc1Br)I 7a_100012356990_200025704644 [2,0,0,0,0,0|2,0,0]=4 2562 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Br 34a_100000738945_200025704644 [2,0,0,0,0,0|2,0,0]=4 2563 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Br 7a_100000738945_200025704644 [2,0,0,0,0,0|2,0,0]=4 2564 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Cl 34a_100000211422_200025704644 [2,0,0,0,0,0|2,0,0]=4 2565 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Cl 7a_100000211422_200025704644 [2,0,0,0,0,0|2,0,0]=4 2566 B10R1.30 [13CH3]Oc1cc(ccc1Cl)F 34a_100000692107_200025704644 [2,0,0,0,0,0|2,0,0]=4 2567 B10R1.30 [13CH3]Oc1cc(ccc1Cl)F 7a_100000692107_200025704644 [2,0,0,0,0,0|2,0,0]=4 2568 B10R1.30 [13CH3]Oc1cc(ccc1Cl)I 34a_100011356854_200025704644 [2,0,0,0,0,0|2,0,0]=4 2569 B10R1.30 [13CH3]Oc1cc(ccc1Cl)I 7a_100011356854_200025704644 [2,0,0,0,0,0|2,0,0]=4 2570 B10R1.30 [13CH3]Oc1cc(ccc1Cl)N 34a_100011934209_200025704644 [2,0,0,0,0,0|2,0,0]=4 2571 B10R1.30 [13CH3]Oc1cc(ccc1F)Br 34a_100000686035_200025704644 [2,0,0,0,0,0|2,0,0]=4 2572 B10R1.30 [13CH3]Oc1cc(ccc1F)Br 7a_100000686035_200025704644 [2,0,0,0,0,0|2,0,0]=4 2573 B10R1.30 [13CH3]Oc1cc(ccc1F)Cl 34a_100000757397_200025704644 [2,0,0,0,0,0|2,0,0]=4 2574 B10R1.30 [13CH3]Oc1cc(ccc1F)Cl 7a_100000757397_200025704644 [2,0,0,0,0,0|2,0,0]=4 2575 B10R1.30 [13CH3]Oc1cc(ccc1F)F 34a_100000752141_200025704644 [2,0,0,0,0,0|2,0,0]=4 2576 B10R1.30 [13CH3]Oc1cc(ccc1F)F 7a_100000752141_200025704644 [2,0,0,0,0,0|2,0,0]=4 2577 B10R1.30 [13CH3]Oc1cc(ccc1F)I 34a_100009958187_200025704644 [2,0,0,0,0,0|2,0,0]=4 2578 B10R1.30 [13CH3]Oc1cc(ccc1F)I 7a_100009958187_200025704644 [2,0,0,0,0,0|2,0,0]=4 2579 B10R1.30 [13CH3]Oc1cc(ccc1F)N 34a_100012017398_200025704644 [2,0,0,0,0,0|2,0,0]=4 2580 B10R1.30 [13CH3]Oc1cc(ccc1F)N 7a_100012017398_200025704644 [2,0,0,0,0,0|2,0,0]=4 2581 B10R1.30 [13CH3]Oc1cc(ccc1I)Br 34a_100012344904_200025704644 [2,0,0,0,0,0|2,0,0]=4 2582 B10R1.30 [13CH3]Oc1cc(ccc1I)Br 7a_100012344904_200025704644 [2,0,0,0,0,0|2,0,0]=4 2583 B10R1.30 [13CH3]Oc1cc(ccc1I)Cl 34a_100000050036_200025704644 [2,0,0,0,0,0|2,0,0]=4 2584 B10R1.30 [13CH3]Oc1cc(ccc1I)Cl 7a_100000050036_200025704644 [2,0,0,0,0,0|2,0,0]=4 2585 B10R1.30 [13CH3]Oc1cc(ccc1I)F 34a_100010084537_200025704644 [2,0,0,0,0,0|2,0,0]=4 2586 B10R1.30 [13CH3]Oc1cc(ccc1I)F 7a_100010084537_200025704644 [2,0,0,0,0,0|2,0,0]=4 2587 B10R1.30 [13CH3]Oc1cc(ccc1N)Br 34a_100000739049_200025704644 [2,0,0,0,0,0|2,0,0]=4 2588 B10R1.30 [13CH3]Oc1cc(ccc1N)Br 7a_100000739049_200025704644 [2,0,0,0,0,0|2,0,0]=4 2589 B10R1.30 [13CH3]Oc1cc(ccc1N)Cl 34a_100000185728_200025704644 [2,0,0,0,0,0|2,0,0]=4 2590 B10R1.30 [13CH3]Oc1cc(ccc1N)Cl 7a_100000185728_200025704644 [2,0,0,0,0,0|2,0,0]=4 2591 B10R1.30 [13CH3]Oc1cc(ccc1N)F 34a_100000753323_200025704644 [2,0,0,0,0,0|2,0,0]=4 2592 B10R1.30 [13CH3]Oc1cc(ccc1N)F 7a_100000753323_200025704644 [2,0,0,0,0,0|2,0,0]=4 2593 B10R1.30 [13CH3]Oc1cc(ccc1N)I 34a_100000057187_200025704644 [2,0,0,0,0,0|2,0,0]=4 2594 B10R1.30 [13CH3]Oc1cc(ccc1N)I 7a_100000057187_200025704644 [2,0,0,0,0,0|2,0,0]=4 2595 B10R1.30 [13CH3]Oc1cc(ccc1N)N 34a_100025717382_200025704644 [2,0,0,0,0,0|2,0,0]=4 2596 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_100012355227_200025704644 [2,0,0,0,0,0|1,1,0]=4 2597 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_200025704644_100012355227 [2,0,0,0,0,0|1,1,0]=4 2598 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_100011356953_200025704644 [2,0,0,0,0,0|1,1,0]=4 2599 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_200025704644_100011356953 [2,0,0,0,0,0|1,1,0]=4 2600 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_100000211999_200025704644 [2,0,0,0,0,0|1,1,0]=4 2601 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_200025704644_100000211999 [2,0,0,0,0,0|1,1,0]=4 2602 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_100011534360_200025704644 [2,0,0,0,0,0|1,1,0]=4 2603 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_200025704644_100011534360 [2,0,0,0,0,0|1,1,0]=4 2604 B10R1.30 [13CH3]Sc1cc(ccc1O)O 62a_200025704644_100009813629 [2,0,0,0,0,0|0,1,1]=4 2605 B10R1.3 C=Cc1ccc(cc1)C=O 271570a_100011290941_100000186029 [2,0,0,0,0,0|1,0,1]=4 2606 B10R1.3 C=Cc1ccc(cc1)CC 271570a_100011290941_100011215824 [2,0,0,0,0,0|2,0,0]=4 2607 B10R1.3 C=Cc1ccc(cc1)NC 271570a_100011290941_100000219623 [2,0,0,0,0,0|2,0,0]=4 2608 B10R1.3 C=Cc1ccc(cc1)NC 34a_100011218248_200000210301 [2,0,0,0,0,0|2,0,0]=4 2609 B10R1.3 C=Cc1ccc(cc1)N[13CH3] 34a_100011218248_200025704644 [2,0,0,0,0,0|2,0,0]=4 2610 B10R1.3 C=Cc1ccc(cc1)OC 271570a_100011290941_100000171711 [2,0,0,0,0,0|1,0,0]=3 2611 B10R1.3 C=Cc1ccc(cc1)OC 34a_100000189437_200000210301 [2,0,0,0,0,0|1,0,0]=3 2612 B10R1.3 C=Cc1ccc(cc1)OC 7a_100000189437_200000210301 [2,0,0,0,0,0|1,0,0]=3 2613 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 34a_100000189437_200025704644 [2,0,0,0,0,0|1,0,0]=3 2614 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 7a_100000189437_200025704644 [2,0,0,0,0,0|1,0,0]=3 2615 B10R1.3 C=Cc1ccc(cc1)SC 271570a_100011290941_100011263217 [2,0,0,0,0,0|1,1,0]=4 2616 B10R1.3 C=Cc1ccc(cc1)SC 62a_100000748128_200000210301 [2,0,0,0,0,0|1,1,0]=4 2617 B10R1.3 C=Cc1ccc(cc1)SC 62a_200000210301_100000748128 [2,0,0,0,0,0|1,1,0]=4 2618 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_100000748128_200025704644 [2,0,0,0,0,0|1,1,0]=4 2619 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000748128 [2,0,0,0,0,0|1,1,0]=4 2620 B10R1.3 C=Cc1ccc(cn1)OC 271570a_100011290941_100000755202 [2,0,0,0,0,0|2,0,0]=4 2621 B10R1.3 C=Cc1ccc(nc1)OC 271570a_100011290941_100000047065 [2,0,0,0,0,0|2,0,0]=4 2622 B10R1.3 CCc1ccc(cc1)OC 34a_100000211359_200000210301 [2,0,0,0,0,0|1,0,1]=4 2623 B10R1.3 CCc1ccc(cc1)OC 7a_100000211359_200000210301 [2,0,0,0,0,0|1,0,1]=4 2624 B10R1.3 CCc1ccc(cc1)O[13CH3] 34a_100000211359_200025704644 [2,0,0,0,0,0|1,0,1]=4 2625 B10R1.3 CCc1ccc(cc1)O[13CH3] 7a_100000211359_200025704644 [2,0,0,0,0,0|1,0,1]=4 2626 B10R1.3 CNc1ccc(cc1)OC 34a_100000182112_200000210301 [2,0,0,0,0,0|2,0,0]=4 2627 B10R1.3 CNc1ccc(cc1)OC 34a_100000184247_200000210301 [2,0,0,0,0,0|2,0,0]=4 2628 B10R1.3 CNc1ccc(cc1)O[13CH3] 34a_100000182112_200025704644 [2,0,0,0,0,0|2,0,0]=4 2629 B10R1.3 COc1ccc(cc1)C#N 34a_100000210344_200000210301 [2,0,0,0,0,0|1,0,1]=4 2630 B10R1.3 COc1ccc(cc1)C#N 7a_100000210344_200000210301 [2,0,0,0,0,0|1,0,1]=4 2631 B10R1.3 COc1ccc(cc1)CN 34a_100000185549_200000210301 [2,0,0,0,0,0|1,0,1]=4 2632 B10R1.3 COc1ccc(cc1)CO 34a_100000211755_200000210301 [2,0,0,0,0,0|0,0,2]=4 2633 B10R1.3 COc1ccc(cc1)N[13CH3] 34a_100000184247_200025704644 [2,0,0,0,0,0|2,0,0]=4 2634 B10R1.3 COc1ccc(cc1)OC 34a_100000210503_200000210301 [2,0,0,0,0,0|2,0,0]=4 2635 B10R1.3 COc1ccc(cc1)O[13CH3] 34a_100000210503_200025704644 [2,0,0,0,0,0|2,0,0]=4 2636 B10R1.3 COc1ccc(cc1)SC 34a_100000211864_200000210301 [2,0,0,0,0,0|2,0,0]=4 2637 B10R1.3 COc1ccc(cc1)SC 62a_200000210301_100000171711 [2,0,0,0,0,0|2,0,0]=4 2638 B10R1.3 COc1ccc(cc1)S[13CH3] 62a_200025704644_100000171711 [2,0,0,0,0,0|2,0,0]=4 2639 B10R1.3 CSc1ccc(cc1)C=O 62a_100000188517_200000210301 [2,0,0,0,0,0|0,1,0]=3 2640 B10R1.3 CSc1ccc(cc1)C=O 62a_200000210301_100000188517 [2,0,0,0,0,0|0,1,0]=3 2641 B10R1.3 CSc1ccc(cc1)O[13CH3] 34a_100000211864_200025704644 [2,0,0,0,0,0|2,0,0]=4 2642 B10R1.3 CSc1ccc(cn1)C=O 62a_100000766901_200000210301 [2,0,0,0,0,0|1,1,0]=4 2643 B10R1.3 CSc1ccc(cn1)C=O 62a_200000210301_100000766901 [2,0,0,0,0,0|1,1,0]=4 2644 B10R1.3 CSc1ccc(nc1)C=O 62a_100000754260_200000210301 [2,0,0,0,0,0|1,1,0]=4 2645 B10R1.3 CSc1ccc(nc1)C=O 62a_200000210301_100000754260 [2,0,0,0,0,0|1,1,0]=4 2646 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 34a_100000210344_200025704644 [2,0,0,0,0,0|1,0,1]=4 2647 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 7a_100000210344_200025704644 [2,0,0,0,0,0|1,0,1]=4 2648 B10R1.3 [13CH3]Oc1ccc(cc1)CN 34a_100000185549_200025704644 [2,0,0,0,0,0|1,0,1]=4 2649 B10R1.3 [13CH3]Oc1ccc(cc1)CO 34a_100000211755_200025704644 [2,0,0,0,0,0|0,0,2]=4 2650 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_100000188517_200025704644 [2,0,0,0,0,0|0,1,0]=3 2651 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_200025704644_100000188517 [2,0,0,0,0,0|0,1,0]=3 2652 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_100000766901_200025704644 [2,0,0,0,0,0|1,1,0]=4 2653 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_200025704644_100000766901 [2,0,0,0,0,0|1,1,0]=4 2654 B10R1.3 [13CH3]Sc1ccc(nc1)C=O 62a_100000754260_200025704644 [2,0,0,0,0,0|1,1,0]=4 2655 B10R1.3 [13CH3]Sc1ccc(nc1)C=O 62a_200025704644_100000754260 [2,0,0,0,0,0|1,1,0]=4 2656 B10R1.176 C=Cc1cc(c(cn1)C)C 271570a_100011290941_100009850809 [2,0,0,0,0,0|2,0,0]=4 2657 B10R1.176 C=Cc1cc(c(cn1)C)O 271570a_100011290941_100000704368 [2,0,0,0,0,0|2,0,0]=4 2658 B10R1.176 C=Cc1cc(c(cn1)O)C 271570a_100011290941_100000692680 [2,0,0,0,0,0|2,0,0]=4 2659 B10R1.176 C=Cc1ccc(c(c1)Br)C 271570a_100011290941_100011847877 [2,0,0,0,0,0|2,0,0]=4 2660 B10R1.176 C=Cc1ccc(c(c1)Br)O 271570a_100011290941_100012361655 [2,0,0,0,0,0|2,0,0]=4 2661 B10R1.176 C=Cc1ccc(c(c1)C)Br 271570a_100011290941_100009813585 [2,0,0,0,0,0|2,0,0]=4 2662 B10R1.176 C=Cc1ccc(c(c1)C)C 271570a_100011290941_100011215607 [2,0,0,0,0,0|1,0,0]=3 2663 B10R1.176 C=Cc1ccc(c(c1)C)Cl 271570a_100011290941_100000049509 [2,0,0,0,0,0|2,0,0]=4 2664 B10R1.176 C=Cc1ccc(c(c1)C)F 271570a_100011290941_100011218330 [2,0,0,0,0,0|2,0,0]=4 2665 B10R1.176 C=Cc1ccc(c(c1)C)N 271570a_100011290941_100000211769 [2,0,0,0,0,0|2,0,0]=4 2666 B10R1.176 C=Cc1ccc(c(c1)C)O 271570a_100011290941_100000186361 [2,0,0,0,0,0|1,0,0]=3 2667 B10R1.176 C=Cc1ccc(c(c1)Cl)C 271570a_100011290941_100011216363 [2,0,0,0,0,0|2,0,0]=4 2668 B10R1.176 C=Cc1ccc(c(c1)Cl)O 271570a_100011290941_100012360047 [2,0,0,0,0,0|2,0,0]=4 2669 B10R1.176 C=Cc1ccc(c(c1)F)C 271570a_100011290941_100000720648 [2,0,0,0,0,0|2,0,0]=4 2670 B10R1.176 C=Cc1ccc(c(c1)F)O 271570a_100011290941_100000185481 [2,0,0,0,0,0|2,0,0]=4 2671 B10R1.176 C=Cc1ccc(c(c1)N)C 271570a_100011290941_100000761890 [2,0,0,0,0,0|2,0,0]=4 2672 B10R1.176 C=Cc1ccc(c(c1)N)O 271570a_100011290941_100000752626 [2,0,0,0,0,0|2,0,0]=4 2673 B10R1.176 C=Cc1ccc(c(c1)O)Br 271570a_100011290941_100012356990 [2,0,0,0,0,0|2,0,0]=4 2674 B10R1.176 C=Cc1ccc(c(c1)O)C 271570a_100011290941_100000766334 [2,0,0,0,0,0|1,0,0]=3 2675 B10R1.176 C=Cc1ccc(c(c1)O)Cl 271570a_100011290941_100011356854 [2,0,0,0,0,0|2,0,0]=4 2676 B10R1.176 C=Cc1ccc(c(c1)O)F 271570a_100011290941_100000686035 [2,0,0,0,0,0|2,0,0]=4 2677 B10R1.176 C=Cc1ccc(c(c1)O)N 271570a_100011290941_100000739049 [2,0,0,0,0,0|2,0,0]=4 2678 B10R1.176 C=Cc1ccc(c(c1)O)O 271570a_100011290941_100009813601 [2,0,0,0,0,0|1,0,0]=3 2679 B10R1.176 C=Cc1ccc(c(n1)C)C 271570a_100011290941_100000103781 [2,0,0,0,0,0|2,0,0]=4 2680 B10R1.176 C=Cc1ccc(c(n1)C)O 271570a_100011290941_100010233687 [2,0,0,0,0,0|2,0,0]=4 2681 B10R1.176 C=Cc1cnc(c(c1)C)C 271570a_100011290941_100000697892 [2,0,0,0,0,0|2,0,0]=4 2682 B10R1.176 C=Cc1cnc(c(c1)C)O 271570a_100011290941_100000685391 [2,0,0,0,0,0|2,0,0]=4 2683 B10R1.176 C=Cc1cnc(c(c1)O)C 271570a_100011290941_100009864810 [2,0,0,0,0,0|2,0,0]=4 2684 B10R1.176 CCc1ccc(c(c1)O)O 271570a_203496583355_100012339963 [2,0,0,0,0,0|1,0,1]=4 2685 B10R1.176 CNc1ccc(c(c1)C)C 2230a_100000724040_200000210301 [2,0,0,0,0,0|2,0,0]=4 2686 B10R1.176 CNc1ccc(c(c1)C)C 34a_100000724040_200000210301 [2,0,0,0,0,0|2,0,0]=4 2687 B10R1.176 CNc1ccc(c(c1)C)C 7a_100000724040_200000210301 [2,0,0,0,0,0|2,0,0]=4 2688 B10R1.176 CNc1ccc(c(c1)C)O 271570a_203496583355_100102888905 [2,0,0,0,0,0|2,0,0]=4 2689 B10R1.176 CNc1ccc(c(c1)C)O 34a_100011218179_200000210301 [2,0,0,0,0,0|2,0,0]=4 2690 B10R1.176 CNc1ccc(c(c1)C)O 7a_100011218179_200000210301 [2,0,0,0,0,0|2,0,0]=4 2691 B10R1.176 CNc1ccc(c(c1)O)C 271570a_203496583355_100000707694 [2,0,0,0,0,0|2,0,0]=4 2692 B10R1.176 CNc1ccc(c(c1)O)C 34a_100000759471_200000210301 [2,0,0,0,0,0|2,0,0]=4 2693 B10R1.176 CNc1ccc(c(c1)O)C 7a_100000759471_200000210301 [2,0,0,0,0,0|2,0,0]=4 2694 B10R1.176 CNc1ccc(c(c1)O)O 34a_100102946323_200000210301 [2,0,0,0,0,0|2,0,0]=4 2695 B10R1.176 COc1ccc(c(c1)C)C 34a_100000210932_200000210301 [2,0,0,0,0,0|2,0,0]=4 2696 B10R1.176 COc1ccc(c(c1)C)C 7a_100000210932_200000210301 [2,0,0,0,0,0|2,0,0]=4 2697 B10R1.176 COc1ccc(c(c1)C)O 271570a_203496583355_100000759875 [2,0,0,0,0,0|2,0,0]=4 2698 B10R1.176 COc1ccc(c(c1)O)C 271570a_203496583355_100012349166 [2,0,0,0,0,0|2,0,0]=4 2699 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000685887 [2,0,0,0,0,0|2,0,0]=4 2700 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000719091 [2,0,0,0,0,0|2,0,0]=4 2701 B10R1.176 CSc1ccc(c(c1)C)C 62a_100011215607_200000210301 [2,0,0,0,0,0|2,0,0]=4 2702 B10R1.176 CSc1ccc(c(c1)C)C 62a_200000210301_100011215607 [2,0,0,0,0,0|2,0,0]=4 2703 B10R1.176 CSc1ccc(c(c1)C)O 62a_200000210301_100000186361 [2,0,0,0,0,0|2,0,0]=4 2704 B10R1.176 CSc1ccc(c(c1)O)C 62a_100000685420_200000210301 [2,0,0,0,0,0|2,0,0]=4 2705 B10R1.176 CSc1ccc(c(c1)O)C 62a_200000210301_100000685420 [2,0,0,0,0,0|2,0,0]=4 2706 B10R1.176 CSc1ccc(c(c1)O)O 62a_200000210301_100009813601 [2,0,0,0,0,0|2,0,0]=4 2707 B10R1.176 Cc1cc(ccc1O)C#N 271570a_203496583355_100000212329 [2,0,0,0,0,0|1,0,1]=4 2708 B10R1.176 Cc1cc(ccc1O)C=O 271570a_203496583355_100000765772 [2,0,0,0,0,0|0,0,0]=2 2709 B10R1.176 Cc1cc(ccc1O)CN 271570a_203496583355_100015205234 [2,0,0,0,0,0|1,0,1]=4 2710 B10R1.176 Cc1cc(ccc1O)CO 271570a_203496583355_100000718852 [2,0,0,0,0,0|0,0,2]=4 2711 B10R1.176 Cc1cc(ccc1O)NN 271570a_203496583355_100000745493 [2,0,0,0,0,0|2,0,0]=4 2712 B10R1.176 Cc1cc(ccc1O)N[13CH3] 34a_100011218179_200025704644 [2,0,0,0,0,0|2,0,0]=4 2713 B10R1.176 Cc1cc(ccc1O)N[13CH3] 7a_100011218179_200025704644 [2,0,0,0,0,0|2,0,0]=4 2714 B10R1.176 Cc1cc(ccc1O)S[13CH3] 62a_200025704644_100000186361 [2,0,0,0,0,0|2,0,0]=4 2715 B10R1.176 Cc1cc(cnc1O)C=O 271570a_203496583355_100000070293 [2,0,0,0,0,0|1,0,0]=3 2716 B10R1.176 Cc1cc(ncc1O)C=O 271570a_203496583355_100009814806 [2,0,0,0,0,0|1,0,0]=3 2717 B10R1.176 Cc1ccc(cc1C)N[13CH3] 2230a_100000724040_200025704644 [2,0,0,0,0,0|2,0,0]=4 2718 B10R1.176 Cc1ccc(cc1C)N[13CH3] 34a_100000724040_200025704644 [2,0,0,0,0,0|2,0,0]=4 2719 B10R1.176 Cc1ccc(cc1C)N[13CH3] 7a_100000724040_200025704644 [2,0,0,0,0,0|2,0,0]=4 2720 B10R1.176 Cc1ccc(cc1C)O[13CH3] 34a_100000210932_200025704644 [2,0,0,0,0,0|2,0,0]=4 2721 B10R1.176 Cc1ccc(cc1C)O[13CH3] 7a_100000210932_200025704644 [2,0,0,0,0,0|2,0,0]=4 2722 B10R1.176 Cc1ccc(cc1C)S[13CH3] 62a_100011215607_200025704644 [2,0,0,0,0,0|2,0,0]=4 2723 B10R1.176 Cc1ccc(cc1C)S[13CH3] 62a_200025704644_100011215607 [2,0,0,0,0,0|2,0,0]=4 2724 B10R1.176 Cc1ccc(cc1O)C#N 271570a_203496583355_100000690169 [2,0,0,0,0,0|1,0,1]=4 2725 B10R1.176 Cc1ccc(cc1O)C=O 271570a_203496583355_100000695567 [2,0,0,0,0,0|0,0,0]=2 2726 B10R1.176 Cc1ccc(cc1O)CO 271570a_203496583355_100000050133 [2,0,0,0,0,0|0,0,2]=4 2727 B10R1.176 Cc1ccc(cc1O)NN 271570a_203496583355_100016991967 [2,0,0,0,0,0|2,0,0]=4 2728 B10R1.176 Cc1ccc(cc1O)N[13CH3] 34a_100000759471_200025704644 [2,0,0,0,0,0|2,0,0]=4 2729 B10R1.176 Cc1ccc(cc1O)N[13CH3] 7a_100000759471_200025704644 [2,0,0,0,0,0|2,0,0]=4 2730 B10R1.176 Cc1ccc(cc1O)S[13CH3] 62a_100000685420_200025704644 [2,0,0,0,0,0|2,0,0]=4 2731 B10R1.176 Cc1ccc(cc1O)S[13CH3] 62a_200025704644_100000685420 [2,0,0,0,0,0|2,0,0]=4 2732 B10R1.176 Cc1cnc(cc1O)C=O 271570a_203496583355_100010174032 [2,0,0,0,0,0|1,0,0]=3 2733 B10R1.176 Cc1nc(ccc1O)C=O 271570a_203496583355_100010238520 [2,0,0,0,0,0|1,0,0]=3 2734 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000724445 [2,0,0,0,0,0|1,0,1]=4 2735 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000725478 [2,0,0,0,0,0|1,0,1]=4 2736 B10R1.176 Nc1ncc(cc1O)C=O 271570a_203496583355_100010064899 [2,0,0,0,0,0|2,0,0]=4 2737 B10R1.176 O=Cc1ccc(c(c1)F)O 271570a_203496583355_100000686674 [2,0,0,0,0,0|1,0,0]=3 2738 B10R1.176 O=Cc1ccc(c(c1)O)Br 271570a_203496583355_100010146563 [2,0,0,0,0,0|1,0,0]=3 2739 B10R1.176 O=Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010209939 [2,0,0,0,0,0|1,0,0]=3 2740 B10R1.176 O=Cc1ccc(c(c1)O)F 271570a_203496583355_100000211747 [2,0,0,0,0,0|1,0,0]=3 2741 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000041418 [2,0,0,0,0,0|0,0,0]=2 2742 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000184552 [2,0,0,0,0,0|0,0,0]=2 2743 B10R1.176 O=Cc1cnc(c(c1)F)O 271570a_203496583355_100009866847 [2,0,0,0,0,0|2,0,0]=4 2744 B10R1.176 O=Cc1cnc(c(c1)O)O 271570a_203496583355_100010064886 [2,0,0,0,0,0|1,0,0]=3 2745 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100000049605 [2,0,0,0,0,0|0,0,2]=4 2746 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100011191544 [2,0,0,0,0,0|0,0,2]=4 2747 B10R1.176 [13CH3]Nc1ccc(c(c1)O)O 34a_100102946323_200025704644 [2,0,0,0,0,0|2,0,0]=4 2748 B10R1.176 [13CH3]Sc1ccc(c(c1)O)O 62a_200025704644_100009813601 [2,0,0,0,0,0|2,0,0]=4 2749 B10R1.172 C#Cc1cccc(c1)OC 34a_100011216014_200000210301 [2,0,0,0,0,0|1,0,1]=4 2750 B10R1.172 C#Cc1cccc(c1)OC 7a_100011216014_200000210301 [2,0,0,0,0,0|1,0,1]=4 2751 B10R1.172 C#Cc1cccc(c1)O[13CH3] 34a_100011216014_200025704644 [2,0,0,0,0,0|1,0,1]=4 2752 B10R1.172 C#Cc1cccc(c1)O[13CH3] 7a_100011216014_200025704644 [2,0,0,0,0,0|1,0,1]=4 2753 B10R1.172 C=Cc1cc(ccn1)OC 271570a_100011290941_100011216251 [2,0,0,0,0,0|2,0,0]=4 2754 B10R1.172 C=Cc1cccc(c1)C=O 271570a_100011290941_100000014684 [2,0,0,0,0,0|1,0,1]=4 2755 B10R1.172 C=Cc1cccc(c1)CC 271570a_100011290941_100000684523 [2,0,0,0,0,0|2,0,0]=4 2756 B10R1.172 C=Cc1cccc(c1)NC 271570a_100011290941_100000219648 [2,0,0,0,0,0|2,0,0]=4 2757 B10R1.172 C=Cc1cccc(c1)NC 34a_100011827668_200000210301 [2,0,0,0,0,0|2,0,0]=4 2758 B10R1.172 C=Cc1cccc(c1)N[13CH3] 34a_100011827668_200025704644 [2,0,0,0,0,0|2,0,0]=4 2759 B10R1.172 C=Cc1cccc(c1)OC 271570a_100011290941_100000170001 [2,0,0,0,0,0|1,0,0]=3 2760 B10R1.172 C=Cc1cccc(c1)OC 34a_100011309434_200000210301 [2,0,0,0,0,0|1,0,0]=3 2761 B10R1.172 C=Cc1cccc(c1)OC 7a_100011309434_200000210301 [2,0,0,0,0,0|1,0,0]=3 2762 B10R1.172 C=Cc1cccc(c1)O[13CH3] 34a_100011309434_200025704644 [2,0,0,0,0,0|1,0,0]=3 2763 B10R1.172 C=Cc1cccc(c1)O[13CH3] 7a_100011309434_200025704644 [2,0,0,0,0,0|1,0,0]=3 2764 B10R1.172 C=Cc1cccc(c1)SC 271570a_100011290941_100011215954 [2,0,0,0,0,0|1,1,0]=4 2765 B10R1.172 C=Cc1cccc(c1)SC 62a_100011215241_200000210301 [2,0,0,0,0,0|1,1,0]=4 2766 B10R1.172 C=Cc1cccc(c1)SC 62a_200000210301_100011215241 [2,0,0,0,0,0|1,1,0]=4 2767 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_100011215241_200025704644 [2,0,0,0,0,0|1,1,0]=4 2768 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215241 [2,0,0,0,0,0|1,1,0]=4 2769 B10R1.172 C=Cc1cccc(n1)OC 271570a_100011290941_100000760917 [2,0,0,0,0,0|2,0,0]=4 2770 B10R1.172 C=Cc1ccnc(c1)OC 271570a_100011290941_100000117307 [2,0,0,0,0,0|2,0,0]=4 2771 B10R1.172 C=Cc1cncc(c1)OC 271570a_100011290941_100000684773 [2,0,0,0,0,0|2,0,0]=4 2772 B10R1.172 CCc1cccc(c1)OC 34a_100000211550_200000210301 [2,0,0,0,0,0|1,0,1]=4 2773 B10R1.172 CCc1cccc(c1)OC 7a_100000211550_200000210301 [2,0,0,0,0,0|1,0,1]=4 2774 B10R1.172 CCc1cccc(c1)O[13CH3] 34a_100000211550_200025704644 [2,0,0,0,0,0|1,0,1]=4 2775 B10R1.172 CCc1cccc(c1)O[13CH3] 7a_100000211550_200025704644 [2,0,0,0,0,0|1,0,1]=4 2776 B10R1.172 CNc1cccc(c1)OC 34a_100000210024_200000210301 [2,0,0,0,0,0|2,0,0]=4 2777 B10R1.172 CNc1cccc(c1)OC 34a_100000756613_200000210301 [2,0,0,0,0,0|2,0,0]=4 2778 B10R1.172 CNc1cccc(c1)OC 7a_100000756613_200000210301 [2,0,0,0,0,0|2,0,0]=4 2779 B10R1.172 CNc1cccc(c1)O[13CH3] 34a_100000756613_200025704644 [2,0,0,0,0,0|2,0,0]=4 2780 B10R1.172 CNc1cccc(c1)O[13CH3] 7a_100000756613_200025704644 [2,0,0,0,0,0|2,0,0]=4 2781 B10R1.172 COc1cccc(c1)C#N 34a_100000184713_200000210301 [2,0,0,0,0,0|1,0,1]=4 2782 B10R1.172 COc1cccc(c1)C#N 7a_100000184713_200000210301 [2,0,0,0,0,0|1,0,1]=4 2783 B10R1.172 COc1cccc(c1)CBr 34a_100011660834_200000210301 [2,0,0,0,0,0|1,0,1]=4 2784 B10R1.172 COc1cccc(c1)CBr 7a_100011660834_200000210301 [2,0,0,0,0,0|1,0,1]=4 2785 B10R1.172 COc1cccc(c1)CCl 34a_100000084143_200000210301 [2,0,0,0,0,0|1,0,1]=4 2786 B10R1.172 COc1cccc(c1)CCl 7a_100000084143_200000210301 [2,0,0,0,0,0|1,0,1]=4 2787 B10R1.172 COc1cccc(c1)CN 34a_100000743036_200000210301 [2,0,0,0,0,0|1,0,1]=4 2788 B10R1.172 COc1cccc(c1)CO 34a_100011214949_200000210301 [2,0,0,0,0,0|0,0,2]=4 2789 B10R1.172 COc1cccc(c1)CO 7a_100011214949_200000210301 [2,0,0,0,0,0|0,0,2]=4 2790 B10R1.172 COc1cccc(c1)N[13CH3] 34a_100000210024_200025704644 [2,0,0,0,0,0|2,0,0]=4 2791 B10R1.172 COc1cccc(c1)OC 34a_100000211255_200000210301 [2,0,0,0,0,0|2,0,0]=4 2792 B10R1.172 COc1cccc(c1)OC 7a_100000211255_200000210301 [2,0,0,0,0,0|2,0,0]=4 2793 B10R1.172 COc1cccc(c1)O[13CH3] 34a_100000211255_200025704644 [2,0,0,0,0,0|2,0,0]=4 2794 B10R1.172 COc1cccc(c1)O[13CH3] 7a_100000211255_200025704644 [2,0,0,0,0,0|2,0,0]=4 2795 B10R1.172 COc1cccc(c1)SC 34a_100011265683_200000210301 [2,0,0,0,0,0|2,0,0]=4 2796 B10R1.172 COc1cccc(c1)SC 62a_200000210301_100000170001 [2,0,0,0,0,0|2,0,0]=4 2797 B10R1.172 COc1cccc(c1)SC 7a_100011265683_200000210301 [2,0,0,0,0,0|2,0,0]=4 2798 B10R1.172 COc1cccc(c1)S[13CH3] 62a_200025704644_100000170001 [2,0,0,0,0,0|2,0,0]=4 2799 B10R1.172 CSc1cc(ccn1)C=O 62a_100011290808_200000210301 [2,0,0,0,0,0|1,1,0]=4 2800 B10R1.172 CSc1cc(ccn1)C=O 62a_200000210301_100011290808 [2,0,0,0,0,0|1,1,0]=4 2801 B10R1.172 CSc1cccc(c1)C=O 62a_100000014684_200000210301 [2,0,0,0,0,0|0,1,0]=3 2802 B10R1.172 CSc1cccc(c1)C=O 62a_200000210301_100000014684 [2,0,0,0,0,0|0,1,0]=3 2803 B10R1.172 CSc1cccc(c1)O[13CH3] 34a_100011265683_200025704644 [2,0,0,0,0,0|2,0,0]=4 2804 B10R1.172 CSc1cccc(c1)O[13CH3] 7a_100011265683_200025704644 [2,0,0,0,0,0|2,0,0]=4 2805 B10R1.172 CSc1cccc(n1)C=O 62a_100000688028_200000210301 [2,0,0,0,0,0|1,1,0]=4 2806 B10R1.172 CSc1cccc(n1)C=O 62a_200000210301_100000688028 [2,0,0,0,0,0|1,1,0]=4 2807 B10R1.172 CSc1ccnc(c1)C=O 62a_100011998288_200000210301 [2,0,0,0,0,0|1,1,0]=4 2808 B10R1.172 CSc1ccnc(c1)C=O 62a_200000210301_100011998288 [2,0,0,0,0,0|1,1,0]=4 2809 B10R1.172 CSc1cncc(c1)C=O 62a_100000687066_200000210301 [2,0,0,0,0,0|1,1,0]=4 2810 B10R1.172 CSc1cncc(c1)C=O 62a_200000210301_100000687066 [2,0,0,0,0,0|1,1,0]=4 2811 B10R1.172 [13CH3]Oc1cccc(c1)C#N 34a_100000184713_200025704644 [2,0,0,0,0,0|1,0,1]=4 2812 B10R1.172 [13CH3]Oc1cccc(c1)C#N 7a_100000184713_200025704644 [2,0,0,0,0,0|1,0,1]=4 2813 B10R1.172 [13CH3]Oc1cccc(c1)CBr 34a_100011660834_200025704644 [2,0,0,0,0,0|1,0,1]=4 2814 B10R1.172 [13CH3]Oc1cccc(c1)CBr 7a_100011660834_200025704644 [2,0,0,0,0,0|1,0,1]=4 2815 B10R1.172 [13CH3]Oc1cccc(c1)CCl 34a_100000084143_200025704644 [2,0,0,0,0,0|1,0,1]=4 2816 B10R1.172 [13CH3]Oc1cccc(c1)CCl 7a_100000084143_200025704644 [2,0,0,0,0,0|1,0,1]=4 2817 B10R1.172 [13CH3]Oc1cccc(c1)CN 34a_100000743036_200025704644 [2,0,0,0,0,0|1,0,1]=4 2818 B10R1.172 [13CH3]Oc1cccc(c1)CO 34a_100011214949_200025704644 [2,0,0,0,0,0|0,0,2]=4 2819 B10R1.172 [13CH3]Oc1cccc(c1)CO 7a_100011214949_200025704644 [2,0,0,0,0,0|0,0,2]=4 2820 B10R1.172 [13CH3]Sc1cc(ccn1)C=O 62a_100011290808_200025704644 [2,0,0,0,0,0|1,1,0]=4 2821 B10R1.172 [13CH3]Sc1cc(ccn1)C=O 62a_200025704644_100011290808 [2,0,0,0,0,0|1,1,0]=4 2822 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_100000014684_200025704644 [2,0,0,0,0,0|0,1,0]=3 2823 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_200025704644_100000014684 [2,0,0,0,0,0|0,1,0]=3 2824 B10R1.172 [13CH3]Sc1cccc(n1)C=O 62a_100000688028_200025704644 [2,0,0,0,0,0|1,1,0]=4 2825 B10R1.172 [13CH3]Sc1cccc(n1)C=O 62a_200025704644_100000688028 [2,0,0,0,0,0|1,1,0]=4 2826 B10R1.172 [13CH3]Sc1ccnc(c1)C=O 62a_100011998288_200025704644 [2,0,0,0,0,0|1,1,0]=4 2827 B10R1.172 [13CH3]Sc1ccnc(c1)C=O 62a_200025704644_100011998288 [2,0,0,0,0,0|1,1,0]=4 2828 B10R1.172 [13CH3]Sc1cncc(c1)C=O 62a_100000687066_200025704644 [2,0,0,0,0,0|1,1,0]=4 2829 B10R1.172 [13CH3]Sc1cncc(c1)C=O 62a_200025704644_100000687066 [2,0,0,0,0,0|1,1,0]=4 2830 B12R1.46 C=C(C)c1cc(=O)[nH]cc1OC 271570a_100000694244_100121573661 [1,1,0,0,0,0|2,0,0]=4 2831 B12R1.46 C=C(C)c1cc(ccc1OC)Br 271570a_100000694244_100012351588 [1,1,0,0,0,0|2,0,0]=4 2832 B12R1.46 C=C(C)c1cc(ccc1OC)C 271570a_100000694244_100000186399 [1,1,0,0,0,0|1,0,1]=4 2833 B12R1.46 C=C(C)c1cc(ccc1OC)Cl 271570a_100000694244_100011215930 [1,1,0,0,0,0|2,0,0]=4 2834 B12R1.46 C=C(C)c1cc(ccc1OC)F 271570a_100000694244_100000171694 [1,1,0,0,0,0|2,0,0]=4 2835 B12R1.46 C=C(C)c1cc(ccc1OC)N 271570a_100000694244_100000187427 [1,1,0,0,0,0|2,0,0]=4 2836 B12R1.46 C=C(C)c1cc(ccc1OC)O 271570a_100000694244_100010084122 [1,1,0,0,0,0|1,0,1]=4 2837 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 34a_100000212127_200025704644 [1,1,0,0,0,0|2,0,0]=4 2838 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 7a_100000212127_200025704644 [1,1,0,0,0,0|2,0,0]=4 2839 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 34a_100000195442_200025704644 [1,1,0,0,0,0|1,0,1]=4 2840 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 7a_100000195442_200025704644 [1,1,0,0,0,0|1,0,1]=4 2841 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 34a_100000185566_200025704644 [1,1,0,0,0,0|2,0,0]=4 2842 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 7a_100000185566_200025704644 [1,1,0,0,0,0|2,0,0]=4 2843 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])F 7a_100000182812_200025704644 [1,1,0,0,0,0|2,0,0]=4 2844 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])I 7a_100010712555_200025704644 [1,1,0,0,0,0|2,0,0]=4 2845 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])N 34a_100011218865_200025704644 [1,1,0,0,0,0|2,0,0]=4 2846 B12R1.46 CC(C)c1cc(ccc1O[13CH3])Br 34a_100000691460_200025704644 [1,1,0,0,0,0|2,0,0]=4 2847 B12R1.46 CC(C)c1cc(ccc1O[13CH3])Br 7a_100000691460_200025704644 [1,1,0,0,0,0|2,0,0]=4 2848 B12R1.46 CC(O)c1cc(ccc1O[13CH3])F 34a_200011305312_200025704644 [1,1,0,0,0,0|2,0,0]=4 2849 B12R1.46 CC(O)c1cc(ccc1O[13CH3])F 7a_200011305312_200025704644 [1,1,0,0,0,0|2,0,0]=4 2850 B12R1.46 COc1ccc(cc1C(=O)C)Br 1458a_100000188853_200000210301 [1,1,0,0,0,0|2,0,0]=4 2851 B12R1.46 COc1ccc(cc1C(=O)C)Br 34a_100000212127_200000210301 [1,1,0,0,0,0|2,0,0]=4 2852 B12R1.46 COc1ccc(cc1C(=O)C)Br 7a_100000212127_200000210301 [1,1,0,0,0,0|2,0,0]=4 2853 B12R1.46 COc1ccc(cc1C(=O)C)C 1458a_100000204667_200000210301 [1,1,0,0,0,0|1,0,1]=4 2854 B12R1.46 COc1ccc(cc1C(=O)C)C 34a_100000195442_200000210301 [1,1,0,0,0,0|1,0,1]=4 2855 B12R1.46 COc1ccc(cc1C(=O)C)C 7a_100000195442_200000210301 [1,1,0,0,0,0|1,0,1]=4 2856 B12R1.46 COc1ccc(cc1C(=O)C)Cl 1458a_100000211409_200000210301 [1,1,0,0,0,0|2,0,0]=4 2857 B12R1.46 COc1ccc(cc1C(=O)C)Cl 34a_100000185566_200000210301 [1,1,0,0,0,0|2,0,0]=4 2858 B12R1.46 COc1ccc(cc1C(=O)C)Cl 7a_100000185566_200000210301 [1,1,0,0,0,0|2,0,0]=4 2859 B12R1.46 COc1ccc(cc1C(=O)C)F 1458a_100000735445_200000210301 [1,1,0,0,0,0|2,0,0]=4 2860 B12R1.46 COc1ccc(cc1C(=O)C)F 7a_100000182812_200000210301 [1,1,0,0,0,0|2,0,0]=4 2861 B12R1.46 COc1ccc(cc1C(=O)C)I 1458a_100000230898_200000210301 [1,1,0,0,0,0|2,0,0]=4 2862 B12R1.46 COc1ccc(cc1C(=O)C)I 7a_100010712555_200000210301 [1,1,0,0,0,0|2,0,0]=4 2863 B12R1.46 COc1ccc(cc1C(=O)C)N 34a_100011218865_200000210301 [1,1,0,0,0,0|2,0,0]=4 2864 B12R1.46 COc1ccc(cc1C(=O)C)O 1458a_200000100057_200000210301 [1,1,0,0,0,0|1,0,1]=4 2865 B12R1.46 COc1ccc(cc1C(=O)C)O 271570a_203496583355_100000173343 [1,1,0,0,0,0|1,0,1]=4 2866 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Br 1458a_100000188853_200025704644 [1,1,0,0,0,0|2,0,0]=4 2867 B12R1.46 COc1ccc(cc1C(=O)[13CH3])C 1458a_100000204667_200025704644 [1,1,0,0,0,0|1,0,1]=4 2868 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000211409_200025704644 [1,1,0,0,0,0|2,0,0]=4 2869 B12R1.46 COc1ccc(cc1C(=O)[13CH3])F 1458a_100000735445_200025704644 [1,1,0,0,0,0|2,0,0]=4 2870 B12R1.46 COc1ccc(cc1C(=O)[13CH3])I 1458a_100000230898_200025704644 [1,1,0,0,0,0|2,0,0]=4 2871 B12R1.46 COc1ccc(cc1C(=O)[13CH3])O 1458a_200000100057_200025704644 [1,1,0,0,0,0|1,0,1]=4 2872 B12R1.46 COc1ccc(cc1C(C)C)Br 34a_100000691460_200000210301 [1,1,0,0,0,0|2,0,0]=4 2873 B12R1.46 COc1ccc(cc1C(C)C)Br 7a_100000691460_200000210301 [1,1,0,0,0,0|2,0,0]=4 2874 B12R1.46 COc1ccc(cc1C(C)O)F 34a_200011305312_200000210301 [1,1,0,0,0,0|2,0,0]=4 2875 B12R1.46 COc1ccc(cc1C(C)O)F 7a_200011305312_200000210301 [1,1,0,0,0,0|2,0,0]=4 2876 B12R1.46 COc1ccc(cc1[C@@H](C)N)Cl 34a_100011853016_200000210301 [1,1,0,0,0,0|2,0,0]=4 2877 B12R1.46 COc1ccc(cc1[C@@H](C)N)Cl 7a_100011853016_200000210301 [1,1,0,0,0,0|2,0,0]=4 2878 B12R1.46 COc1ccc(cc1[C@H](C)N)F 34a_100160469477_200000210301 [1,1,0,0,0,0|2,0,0]=4 2879 B12R1.46 COc1ccc(cc1[C@H](C)N)F 7a_100160469477_200000210301 [1,1,0,0,0,0|2,0,0]=4 2880 B12R1.46 C[C@@H](N)c1cc(ccc1O[13CH3])Cl 34a_100011853016_200025704644 [1,1,0,0,0,0|2,0,0]=4 2881 B12R1.46 C[C@@H](N)c1cc(ccc1O[13CH3])Cl 7a_100011853016_200025704644 [1,1,0,0,0,0|2,0,0]=4 2882 B12R1.46 C[C@H](N)c1cc(ccc1O[13CH3])F 34a_100160469477_200025704644 [1,1,0,0,0,0|2,0,0]=4 2883 B12R1.46 C[C@H](N)c1cc(ccc1O[13CH3])F 7a_100160469477_200025704644 [1,1,0,0,0,0|2,0,0]=4 2884 B12R1.57 C=C(C)c1ccc(cc1OC)Br 271570a_100000694244_100010245111 [1,1,0,0,0,0|2,0,0]=4 2885 B12R1.57 C=C(C)c1ccc(cc1OC)C 271570a_100000694244_100010200004 [1,1,0,0,0,0|1,0,1]=4 2886 B12R1.57 C=C(C)c1ccc(cc1OC)Cl 271570a_100000694244_100000050115 [1,1,0,0,0,0|2,0,0]=4 2887 B12R1.57 C=C(C)c1ccc(cc1OC)F 271570a_100000694244_100000757151 [1,1,0,0,0,0|2,0,0]=4 2888 B12R1.57 C=C(C)c1ccc(cc1OC)N 271570a_100000694244_100000765947 [1,1,0,0,0,0|2,0,0]=4 2889 B12R1.57 C=C(C)c1ccc(cc1OC)O 271570a_100000694244_100011827694 [1,1,0,0,0,0|1,0,1]=4 2890 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Br 7a_100000188348_200025704644 [1,1,0,0,0,0|2,0,0]=4 2891 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 34a_100000234885_200025704644 [1,1,0,0,0,0|1,0,1]=4 2892 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 7a_100000234885_200025704644 [1,1,0,0,0,0|1,0,1]=4 2893 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 34a_100000061402_200025704644 [1,1,0,0,0,0|2,0,0]=4 2894 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 7a_100000061402_200025704644 [1,1,0,0,0,0|2,0,0]=4 2895 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])F 7a_100011215782_200025704644 [1,1,0,0,0,0|2,0,0]=4 2896 B12R1.57 COc1cc(ccc1C(=O)C)Br 1458a_100000748230_200000210301 [1,1,0,0,0,0|2,0,0]=4 2897 B12R1.57 COc1cc(ccc1C(=O)C)Br 7a_100000188348_200000210301 [1,1,0,0,0,0|2,0,0]=4 2898 B12R1.57 COc1cc(ccc1C(=O)C)C 1458a_100000217210_200000210301 [1,1,0,0,0,0|1,0,1]=4 2899 B12R1.57 COc1cc(ccc1C(=O)C)C 34a_100000234885_200000210301 [1,1,0,0,0,0|1,0,1]=4 2900 B12R1.57 COc1cc(ccc1C(=O)C)C 7a_100000234885_200000210301 [1,1,0,0,0,0|1,0,1]=4 2901 B12R1.57 COc1cc(ccc1C(=O)C)Cl 1458a_100000217211_200000210301 [1,1,0,0,0,0|2,0,0]=4 2902 B12R1.57 COc1cc(ccc1C(=O)C)Cl 34a_100000061402_200000210301 [1,1,0,0,0,0|2,0,0]=4 2903 B12R1.57 COc1cc(ccc1C(=O)C)Cl 7a_100000061402_200000210301 [1,1,0,0,0,0|2,0,0]=4 2904 B12R1.57 COc1cc(ccc1C(=O)C)F 1458a_100000239970_200000210301 [1,1,0,0,0,0|2,0,0]=4 2905 B12R1.57 COc1cc(ccc1C(=O)C)F 7a_100011215782_200000210301 [1,1,0,0,0,0|2,0,0]=4 2906 B12R1.57 COc1cc(ccc1C(=O)C)I 1458a_100012353712_200000210301 [1,1,0,0,0,0|2,0,0]=4 2907 B12R1.57 COc1cc(ccc1C(=O)C)O 271570a_203496583355_100000709911 [1,1,0,0,0,0|1,0,1]=4 2908 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Br 1458a_100000748230_200025704644 [1,1,0,0,0,0|2,0,0]=4 2909 B12R1.57 COc1cc(ccc1C(=O)[13CH3])C 1458a_100000217210_200025704644 [1,1,0,0,0,0|1,0,1]=4 2910 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000217211_200025704644 [1,1,0,0,0,0|2,0,0]=4 2911 B12R1.57 COc1cc(ccc1C(=O)[13CH3])F 1458a_100000239970_200025704644 [1,1,0,0,0,0|2,0,0]=4 2912 B12R1.57 COc1cc(ccc1C(=O)[13CH3])I 1458a_100012353712_200025704644 [1,1,0,0,0,0|2,0,0]=4 2913 B12R1.57 COc1cc(ccc1C(C)C)C 34a_100000185798_200000210301 [1,1,0,0,0,0|1,0,1]=4 2914 B12R1.57 COc1cc(ccc1C(C)C)C 7a_100000185798_200000210301 [1,1,0,0,0,0|1,0,1]=4 2915 B12R1.57 COc1cc(ccc1N(C)C)Cl 2230a_100000061351_200000210301 [1,1,0,0,0,0|2,0,0]=4 2916 B12R1.57 COc1cc(ccc1N(C)C)Cl 269982a_100000061351_200000210301 [1,1,0,0,0,0|2,0,0]=4 2917 B12R1.57 COc1cc(ccc1N(C)C)Cl 34a_100000061351_200000210301 [1,1,0,0,0,0|2,0,0]=4 2918 B12R1.57 COc1cc(ccc1N(C)C)F 2230a_100020633920_200000210301 [1,1,0,0,0,0|2,0,0]=4 2919 B12R1.57 COc1cc(ccc1N(C)C)F 269982a_100020633920_200000210301 [1,1,0,0,0,0|2,0,0]=4 2920 B12R1.57 COc1cc(ccc1N(C)C)F 34a_100020633920_200000210301 [1,1,0,0,0,0|2,0,0]=4 2921 B12R1.57 COc1cc(ccc1N(C)C)F 38a_100020633920_200000210301 [1,1,0,0,0,0|2,0,0]=4 2922 B12R1.57 COc1cc(ccc1N(C)[13CH3])Cl 2230a_100000061351_200025704644 [1,1,0,0,0,0|2,0,0]=4 2923 B12R1.57 COc1cc(ccc1N(C)[13CH3])Cl 269982a_100000061351_200025704644 [1,1,0,0,0,0|2,0,0]=4 2924 B12R1.57 COc1cc(ccc1N(C)[13CH3])Cl 34a_100000061351_200025704644 [1,1,0,0,0,0|2,0,0]=4 2925 B12R1.57 COc1cc(ccc1N(C)[13CH3])F 2230a_100020633920_200025704644 [1,1,0,0,0,0|2,0,0]=4 2926 B12R1.57 COc1cc(ccc1N(C)[13CH3])F 269982a_100020633920_200025704644 [1,1,0,0,0,0|2,0,0]=4 2927 B12R1.57 COc1cc(ccc1N(C)[13CH3])F 34a_100020633920_200025704644 [1,1,0,0,0,0|2,0,0]=4 2928 B12R1.57 COc1cc(ccc1N(C)[13CH3])F 38a_100020633920_200025704644 [1,1,0,0,0,0|2,0,0]=4 2929 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(C)C 34a_100000185798_200025704644 [1,1,0,0,0,0|1,0,1]=4 2930 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(C)C 7a_100000185798_200025704644 [1,1,0,0,0,0|1,0,1]=4 2931 B12R1.112 CC=Cc1ccc(cc1OC)Br 271570a_100016259895_100010245111 [1,1,0,0,0,0|2,0,0]=4 2932 B12R1.112 CC=Cc1ccc(cc1OC)C 271570a_100016259895_100010200004 [1,1,0,0,0,0|1,0,1]=4 2933 B12R1.112 CC=Cc1ccc(cc1OC)Cl 271570a_100016259895_100000050115 [1,1,0,0,0,0|2,0,0]=4 2934 B12R1.112 CC=Cc1ccc(cc1OC)F 271570a_100016259895_100000757151 [1,1,0,0,0,0|2,0,0]=4 2935 B12R1.112 CC=Cc1ccc(cc1OC)N 271570a_100016259895_100000765947 [1,1,0,0,0,0|2,0,0]=4 2936 B12R1.112 CC=Cc1ccc(cc1OC)O 271570a_100016259895_100011827694 [1,1,0,0,0,0|1,0,1]=4 2937 B12R1.112 CCNc1ccc(cc1OC)Br 34a_100011279103_100000210202 [1,1,0,0,0,0|2,0,0]=4 2938 B12R1.112 CCNc1ccc(cc1OC)C 2230a_100000746441_100000210202 [1,1,0,0,0,0|1,0,1]=4 2939 B12R1.112 CCNc1ccc(cc1OC)C 34a_100000746441_100000210202 [1,1,0,0,0,0|1,0,1]=4 2940 B12R1.112 CCNc1ccc(cc1OC)Cl 34a_100000707585_100000210202 [1,1,0,0,0,0|2,0,0]=4 2941 B12R1.112 CCNc1ccc(cc1OC)F 34a_100000737216_100000210202 [1,1,0,0,0,0|2,0,0]=4 2942 B12R1.112 CCNc1ccc(cc1OC)I 34a_100015196925_100000210202 [1,1,0,0,0,0|2,0,0]=4 2943 B12R1.112 CCNc1ccc(cc1OC)O 34a_100015326901_100000210202 [1,1,0,0,0,0|1,0,1]=4 2944 B12R1.112 CCOc1ccc(cc1CC)Br 34a_100012338938_100000210202 [1,1,0,0,0,0|2,0,0]=4 2945 B12R1.112 CCOc1ccc(cc1CC)Br 7a_100012338938_100000210202 [1,1,0,0,0,0|2,0,0]=4 2946 B12R1.112 CCOc1ccc(cc1CC)C 34a_100009844793_100000210202 [1,1,0,0,0,0|1,0,1]=4 2947 B12R1.112 CCOc1ccc(cc1CC)C 7a_100009844793_100000210202 [1,1,0,0,0,0|1,0,1]=4 2948 B12R1.112 CCOc1ccc(cc1CC)F 34a_200000035566_100000210202 [1,1,0,0,0,0|2,0,0]=4 2949 B12R1.112 CCOc1ccc(cc1CC)F 7a_200000035566_100000210202 [1,1,0,0,0,0|2,0,0]=4 2950 B12R1.112 CCOc1ccc(cc1CC)O 271570a_203496583355_200010070707 [1,1,0,0,0,0|1,0,1]=4 2951 B12R1.112 CCOc1ccc(cc1NC)Br 2230a_100000751366_200000210301 [1,1,0,0,0,0|2,0,0]=4 2952 B12R1.112 CCOc1ccc(cc1NC)Br 34a_100000751366_200000210301 [1,1,0,0,0,0|2,0,0]=4 2953 B12R1.112 CCOc1ccc(cc1NC)C 2230a_100011202655_200000210301 [1,1,0,0,0,0|1,0,1]=4 2954 B12R1.112 CCOc1ccc(cc1NC)C 34a_100011202655_200000210301 [1,1,0,0,0,0|1,0,1]=4 2955 B12R1.112 CCOc1ccc(cc1NC)Cl 2230a_100000742605_200000210301 [1,1,0,0,0,0|2,0,0]=4 2956 B12R1.112 CCOc1ccc(cc1NC)Cl 34a_100000742605_200000210301 [1,1,0,0,0,0|2,0,0]=4 2957 B12R1.112 CCOc1ccc(cc1N[13CH3])Br 2230a_100000751366_200025704644 [1,1,0,0,0,0|2,0,0]=4 2958 B12R1.112 CCOc1ccc(cc1N[13CH3])Br 34a_100000751366_200025704644 [1,1,0,0,0,0|2,0,0]=4 2959 B12R1.112 CCOc1ccc(cc1N[13CH3])C 2230a_100011202655_200025704644 [1,1,0,0,0,0|1,0,1]=4 2960 B12R1.112 CCOc1ccc(cc1N[13CH3])C 34a_100011202655_200025704644 [1,1,0,0,0,0|1,0,1]=4 2961 B12R1.112 CCOc1ccc(cc1N[13CH3])Cl 2230a_100000742605_200025704644 [1,1,0,0,0,0|2,0,0]=4 2962 B12R1.112 CCOc1ccc(cc1N[13CH3])Cl 34a_100000742605_200025704644 [1,1,0,0,0,0|2,0,0]=4 2963 B12R1.112 CCOc1ccc(cc1OC)Br 34a_100000694246_100000210202 [1,1,0,0,0,0|1,0,0]=3 2964 B12R1.112 CCOc1ccc(cc1OC)Br 7a_100000694246_100000210202 [1,1,0,0,0,0|1,0,0]=3 2965 B12R1.112 CCOc1ccc(cc1OC)C 34a_100000186466_100000210202 [1,1,0,0,0,0|0,0,1]=3 2966 B12R1.112 CCOc1ccc(cc1OC)Cl 34a_100000033002_100000210202 [1,1,0,0,0,0|1,0,0]=3 2967 B12R1.112 CCOc1ccc(cc1OC)F 34a_100000036057_100000210202 [1,1,0,0,0,0|1,0,0]=3 2968 B12R1.112 CCOc1ccc(cc1OC)F 7a_100000036057_100000210202 [1,1,0,0,0,0|1,0,0]=3 2969 B12R1.112 CCOc1ccc(cc1OC)I 34a_100000049635_100000210202 [1,1,0,0,0,0|1,0,0]=3 2970 B12R1.112 CCOc1ccc(cc1OC)N 34a_100000726020_100000210202 [1,1,0,0,0,0|1,0,0]=3 2971 B12R1.112 CCOc1ccc(cc1OC)O 271570a_203496583355_200012344064 [1,1,0,0,0,0|0,0,1]=3 2972 B12R1.112 CCOc1ccc(cc1SC)C 62a_200000210301_200000230997 [1,1,0,0,0,0|0,1,1]=4 2973 B12R1.112 CCOc1ccc(cc1SC)C 62a_200000230997_200000210301 [1,1,0,0,0,0|0,1,1]=4 2974 B12R1.112 CCOc1ccc(cc1SC)F 62a_100000171695_200000210301 [1,1,0,0,0,0|1,1,0]=4 2975 B12R1.112 CCOc1ccc(cc1SC)F 62a_200000210301_100000171695 [1,1,0,0,0,0|1,1,0]=4 2976 B12R1.112 CCOc1ccc(cc1S[13CH3])C 62a_200000230997_200025704644 [1,1,0,0,0,0|0,1,1]=4 2977 B12R1.112 CCOc1ccc(cc1S[13CH3])C 62a_200025704644_200000230997 [1,1,0,0,0,0|0,1,1]=4 2978 B12R1.112 CCOc1ccc(cc1S[13CH3])F 62a_100000171695_200025704644 [1,1,0,0,0,0|1,1,0]=4 2979 B12R1.112 CCOc1ccc(cc1S[13CH3])F 62a_200025704644_100000171695 [1,1,0,0,0,0|1,1,0]=4 2980 B12R1.112 CCOc1ccc(nc1OC)Br 34a_100010893133_100000210202 [1,1,0,0,0,0|2,0,0]=4 2981 B12R1.112 CCOc1ncc(cc1OC)Cl 34a_200009845368_100000210202 [1,1,0,0,0,0|2,0,0]=4 2982 B12R1.112 CCOc1ncc(cc1OC)O 271570a_203496583355_200010116856 [1,1,0,0,0,0|1,0,1]=4 2983 B12R1.112 CCSc1ccc(cc1OC)Br 62a_100000210202_100010245111 [1,1,0,0,0,0|1,1,0]=4 2984 B12R1.112 CCSc1ccc(cc1OC)Br 62a_100010245111_100000210202 [1,1,0,0,0,0|1,1,0]=4 2985 B12R1.112 CCSc1ccc(cc1OC)C 62a_100000210202_100010200004 [1,1,0,0,0,0|0,1,1]=4 2986 B12R1.112 CCSc1ccc(cc1OC)C 62a_100010200004_100000210202 [1,1,0,0,0,0|0,1,1]=4 2987 B12R1.112 CCSc1ccc(cc1OC)Cl 62a_100000050115_100000210202 [1,1,0,0,0,0|1,1,0]=4 2988 B12R1.112 CCSc1ccc(cc1OC)Cl 62a_100000210202_100000050115 [1,1,0,0,0,0|1,1,0]=4 2989 B12R1.112 CCSc1ccc(cc1OC)F 62a_100000210202_100000757151 [1,1,0,0,0,0|1,1,0]=4 2990 B12R1.112 CCSc1ccc(cc1OC)F 62a_100000757151_100000210202 [1,1,0,0,0,0|1,1,0]=4 2991 B12R1.112 CCSc1ccc(cc1OC)N 62a_100000210202_100000765947 [1,1,0,0,0,0|1,1,0]=4 2992 B12R1.112 CCSc1ccc(cc1OC)N 62a_100000765947_100000210202 [1,1,0,0,0,0|1,1,0]=4 2993 B12R1.112 CCSc1ccc(cc1OC)O 62a_100000210202_100011827694 [1,1,0,0,0,0|0,1,1]=4 2994 B12R1.112 CCc1cc(ccc1OCF)Br 34a_100012338938_100015361967 [1,1,0,0,0,0|2,0,0]=4 2995 B12R1.112 CCc1cc(ccc1OCF)Br 7a_100012338938_100015361967 [1,1,0,0,0,0|2,0,0]=4 2996 B12R1.112 CCc1cc(ccc1OCF)C 34a_100009844793_100015361967 [1,1,0,0,0,0|1,0,1]=4 2997 B12R1.112 CCc1cc(ccc1OCF)C 7a_100009844793_100015361967 [1,1,0,0,0,0|1,0,1]=4 2998 B12R1.112 CCc1cc(ccc1OCF)F 34a_200000035566_100015361967 [1,1,0,0,0,0|2,0,0]=4 2999 B12R1.112 CCc1cc(ccc1OCF)F 7a_200000035566_100015361967 [1,1,0,0,0,0|2,0,0]=4 3000 B12R1.112 CNCc1ccc(cc1OC)Br 207a_100102657272_100000697075 [1,1,0,0,0,0|2,0,0]=4 3001 B12R1.112 CNCc1ccc(cc1OC)Br 2230a_106832991635_100012359436 [1,1,0,0,0,0|2,0,0]=4 3002 B12R1.112 CNCc1ccc(cc1OC)Br 26a_100102657272_100000694246 [1,1,0,0,0,0|2,0,0]=4 3003 B12R1.112 CNCc1ccc(cc1OC)Br 270004a_106832991635_100000697075 [1,1,0,0,0,0|2,0,0]=4 3004 B12R1.112 CNCc1ccc(cc1OC)Br 34a_100102657272_100012359436 [1,1,0,0,0,0|2,0,0]=4 3005 B12R1.112 CNCc1ccc(cc1OC)Br 7a_106832991635_100012359436 [1,1,0,0,0,0|2,0,0]=4 3006 B12R1.112 CNCc1ccc(cc1OC)C 207a_100102657272_100000689369 [1,1,0,0,0,0|1,0,1]=4 3007 B12R1.112 CNCc1ccc(cc1OC)C 270004a_106832991635_100000689369 [1,1,0,0,0,0|1,0,1]=4 3008 B12R1.112 CNCc1ccc(cc1OC)Cl 207a_100102657272_100000235374 [1,1,0,0,0,0|2,0,0]=4 3009 B12R1.112 CNCc1ccc(cc1OC)Cl 270004a_106832991635_100000235374 [1,1,0,0,0,0|2,0,0]=4 3010 B12R1.112 CNCc1ccc(cc1OC)F 207a_100102657272_100000042785 [1,1,0,0,0,0|2,0,0]=4 3011 B12R1.112 CNCc1ccc(cc1OC)F 2230a_106832991635_200010171551 [1,1,0,0,0,0|2,0,0]=4 3012 B12R1.112 CNCc1ccc(cc1OC)F 270004a_106832991635_100000042785 [1,1,0,0,0,0|2,0,0]=4 3013 B12R1.112 CNCc1ccc(cc1OC)F 34a_100000062129_200000210301 [1,1,0,0,0,0|2,0,0]=4 3014 B12R1.112 CNCc1ccc(cc1OC)F 34a_100102657272_200010171551 [1,1,0,0,0,0|2,0,0]=4 3015 B12R1.112 CNCc1ccc(cc1OC)F 7a_106832991635_200010171551 [1,1,0,0,0,0|2,0,0]=4 3016 B12R1.112 CNCc1ccc(cc1OC)I 207a_100102657272_100010290300 [1,1,0,0,0,0|2,0,0]=4 3017 B12R1.112 CNc1cc(ccc1COC)Br 34a_100013084866_200000210301 [1,1,0,0,0,0|2,0,0]=4 3018 B12R1.112 CNc1cc(ccc1COC)Br 7a_100013084866_200000210301 [1,1,0,0,0,0|2,0,0]=4 3019 B12R1.112 COCc1ccc(cc1N[13CH3])Br 34a_100013084866_200025704644 [1,1,0,0,0,0|2,0,0]=4 3020 B12R1.112 COCc1ccc(cc1N[13CH3])Br 7a_100013084866_200025704644 [1,1,0,0,0,0|2,0,0]=4 3021 B12R1.112 COCc1ccc(cc1OC)Br 34a_100011277633_200000210301 [1,1,0,0,0,0|1,0,0]=3 3022 B12R1.112 COCc1ccc(cc1OC)Br 34a_100138415774_100012359436 [1,1,0,0,0,0|1,0,0]=3 3023 B12R1.112 COCc1ccc(cc1OC)Br 7a_100011277633_200000210301 [1,1,0,0,0,0|1,0,0]=3 3024 B12R1.112 COCc1ccc(cc1OC)C 34a_200012017176_200000210301 [1,1,0,0,0,0|0,0,1]=3 3025 B12R1.112 COCc1ccc(cc1OC)C 7a_200012017176_200000210301 [1,1,0,0,0,0|0,0,1]=3 3026 B12R1.112 COCc1ccc(cc1OC)Cl 34a_200011215853_200000210301 [1,1,0,0,0,0|1,0,0]=3 3027 B12R1.112 COCc1ccc(cc1OC)Cl 7a_200011215853_200000210301 [1,1,0,0,0,0|1,0,0]=3 3028 B12R1.112 COCc1ccc(cc1OC)F 34a_100000117171_200000210301 [1,1,0,0,0,0|1,0,0]=3 3029 B12R1.112 COCc1ccc(cc1OC)F 34a_100138415774_200010171551 [1,1,0,0,0,0|1,0,0]=3 3030 B12R1.112 COCc1ccc(cc1OC)F 7a_100000117171_200000210301 [1,1,0,0,0,0|1,0,0]=3 3031 B12R1.112 COCc1ccc(cc1OC)I 34a_100010233823_200000210301 [1,1,0,0,0,0|1,0,0]=3 3032 B12R1.112 COCc1ccc(cc1OC)I 7a_100010233823_200000210301 [1,1,0,0,0,0|1,0,0]=3 3033 B12R1.112 COCc1ccc(cc1OC)N 34a_100012183141_200000210301 [1,1,0,0,0,0|1,0,0]=3 3034 B12R1.112 COCc1ccc(nc1OC)Br 34a_100010988397_200000210301 [1,1,0,0,0,0|2,0,0]=4 3035 B12R1.112 COCc1ccc(nc1OC)Br 34a_100138415774_100016029037 [1,1,0,0,0,0|2,0,0]=4 3036 B12R1.112 COCc1ccc(nc1OC)Cl 34a_200009869906_200000210301 [1,1,0,0,0,0|2,0,0]=4 3037 B12R1.112 COCc1cnc(cc1OC)Cl 34a_100010714672_200000210301 [1,1,0,0,0,0|2,0,0]=4 3038 B12R1.112 COCc1ncc(cc1OC)Br 34a_200010246159_200000210301 [1,1,0,0,0,0|2,0,0]=4 3039 B12R1.112 COCc1ncc(cc1OC)Br 7a_200010246159_200000210301 [1,1,0,0,0,0|2,0,0]=4 3040 B12R1.112 COc1cc(ccc1CN[13CH3])F 34a_100000062129_200025704644 [1,1,0,0,0,0|2,0,0]=4 3041 B12R1.112 COc1cc(ccc1CO[13CH3])Br 34a_100011277633_200025704644 [1,1,0,0,0,0|1,0,0]=3 3042 B12R1.112 COc1cc(ccc1CO[13CH3])Br 7a_100011277633_200025704644 [1,1,0,0,0,0|1,0,0]=3 3043 B12R1.112 COc1cc(ccc1CO[13CH3])C 34a_200012017176_200025704644 [1,1,0,0,0,0|0,0,1]=3 3044 B12R1.112 COc1cc(ccc1CO[13CH3])C 7a_200012017176_200025704644 [1,1,0,0,0,0|0,0,1]=3 3045 B12R1.112 COc1cc(ccc1CO[13CH3])Cl 34a_200011215853_200025704644 [1,1,0,0,0,0|1,0,0]=3 3046 B12R1.112 COc1cc(ccc1CO[13CH3])Cl 7a_200011215853_200025704644 [1,1,0,0,0,0|1,0,0]=3 3047 B12R1.112 COc1cc(ccc1CO[13CH3])F 34a_100000117171_200025704644 [1,1,0,0,0,0|1,0,0]=3 3048 B12R1.112 COc1cc(ccc1CO[13CH3])F 7a_100000117171_200025704644 [1,1,0,0,0,0|1,0,0]=3 3049 B12R1.112 COc1cc(ccc1CO[13CH3])I 34a_100010233823_200025704644 [1,1,0,0,0,0|1,0,0]=3 3050 B12R1.112 COc1cc(ccc1CO[13CH3])I 7a_100010233823_200025704644 [1,1,0,0,0,0|1,0,0]=3 3051 B12R1.112 COc1cc(ccc1CO[13CH3])N 34a_100012183141_200025704644 [1,1,0,0,0,0|1,0,0]=3 3052 B12R1.112 COc1cc(ccc1CSC)Br 62a_100012359436_200000210301 [1,1,0,0,0,0|1,1,0]=4 3053 B12R1.112 COc1cc(ccc1CSC)Br 62a_200000210301_100012359436 [1,1,0,0,0,0|1,1,0]=4 3054 B12R1.112 COc1cc(ccc1CSC)F 62a_200000210301_200010171551 [1,1,0,0,0,0|1,1,0]=4 3055 B12R1.112 COc1cc(ccc1CSC)F 62a_200010171551_200000210301 [1,1,0,0,0,0|1,1,0]=4 3056 B12R1.112 COc1cc(ccc1CS[13CH3])Br 62a_100012359436_200025704644 [1,1,0,0,0,0|1,1,0]=4 3057 B12R1.112 COc1cc(ccc1CS[13CH3])Br 62a_200025704644_100012359436 [1,1,0,0,0,0|1,1,0]=4 3058 B12R1.112 COc1cc(ccc1CS[13CH3])F 62a_200010171551_200025704644 [1,1,0,0,0,0|1,1,0]=4 3059 B12R1.112 COc1cc(ccc1CS[13CH3])F 62a_200025704644_200010171551 [1,1,0,0,0,0|1,1,0]=4 3060 B12R1.112 COc1cc(ccc1NCF)Br 34a_100011279103_100015361967 [1,1,0,0,0,0|2,0,0]=4 3061 B12R1.112 COc1cc(ccc1NCF)C 34a_100000746441_100015361967 [1,1,0,0,0,0|1,0,1]=4 3062 B12R1.112 COc1cc(ccc1NCF)Cl 34a_100000707585_100015361967 [1,1,0,0,0,0|2,0,0]=4 3063 B12R1.112 COc1cc(ccc1NCF)F 34a_100000737216_100015361967 [1,1,0,0,0,0|2,0,0]=4 3064 B12R1.112 COc1cc(ccc1NCF)I 34a_100015196925_100015361967 [1,1,0,0,0,0|2,0,0]=4 3065 B12R1.112 COc1cc(ccc1NCF)O 34a_100015326901_100015361967 [1,1,0,0,0,0|1,0,1]=4 3066 B12R1.112 COc1cc(ccc1OCF)Br 34a_100000694246_100015361967 [1,1,0,0,0,0|1,0,0]=3 3067 B12R1.112 COc1cc(ccc1OCF)Br 7a_100000694246_100015361967 [1,1,0,0,0,0|1,0,0]=3 3068 B12R1.112 COc1cc(ccc1OCF)C 34a_100000186466_100015361967 [1,1,0,0,0,0|0,0,1]=3 3069 B12R1.112 COc1cc(ccc1OCF)Cl 34a_100000033002_100015361967 [1,1,0,0,0,0|1,0,0]=3 3070 B12R1.112 COc1cc(ccc1OCF)F 34a_100000036057_100015361967 [1,1,0,0,0,0|1,0,0]=3 3071 B12R1.112 COc1cc(ccc1OCF)F 7a_100000036057_100015361967 [1,1,0,0,0,0|1,0,0]=3 3072 B12R1.112 COc1cc(ccc1OCF)I 34a_100000049635_100015361967 [1,1,0,0,0,0|1,0,0]=3 3073 B12R1.112 COc1cc(ccc1OCF)N 34a_100000726020_100015361967 [1,1,0,0,0,0|1,0,0]=3 3074 B12R1.112 COc1cc(ccc1SCF)Br 62a_100010245111_100015361967 [1,1,0,0,0,0|1,1,0]=4 3075 B12R1.112 COc1cc(ccc1SCF)Br 62a_100015361967_100010245111 [1,1,0,0,0,0|1,1,0]=4 3076 B12R1.112 COc1cc(ccc1SCF)C 62a_100010200004_100015361967 [1,1,0,0,0,0|0,1,1]=4 3077 B12R1.112 COc1cc(ccc1SCF)C 62a_100015361967_100010200004 [1,1,0,0,0,0|0,1,1]=4 3078 B12R1.112 COc1cc(ccc1SCF)Cl 62a_100000050115_100015361967 [1,1,0,0,0,0|1,1,0]=4 3079 B12R1.112 COc1cc(ccc1SCF)Cl 62a_100015361967_100000050115 [1,1,0,0,0,0|1,1,0]=4 3080 B12R1.112 COc1cc(ccc1SCF)F 62a_100000757151_100015361967 [1,1,0,0,0,0|1,1,0]=4 3081 B12R1.112 COc1cc(ccc1SCF)F 62a_100015361967_100000757151 [1,1,0,0,0,0|1,1,0]=4 3082 B12R1.112 COc1cc(ccc1SCF)N 62a_100000765947_100015361967 [1,1,0,0,0,0|1,1,0]=4 3083 B12R1.112 COc1cc(ccc1SCF)N 62a_100015361967_100000765947 [1,1,0,0,0,0|1,1,0]=4 3084 B12R1.112 COc1cc(ccc1SCF)O 62a_100015361967_100011827694 [1,1,0,0,0,0|0,1,1]=4 3085 B12R1.112 COc1cc(cnc1CO[13CH3])Br 34a_200010246159_200025704644 [1,1,0,0,0,0|2,0,0]=4 3086 B12R1.112 COc1cc(cnc1CO[13CH3])Br 7a_200010246159_200025704644 [1,1,0,0,0,0|2,0,0]=4 3087 B12R1.112 COc1cc(cnc1OCF)Cl 34a_200009845368_100015361967 [1,1,0,0,0,0|2,0,0]=4 3088 B12R1.112 COc1cc(ncc1CO[13CH3])Cl 34a_100010714672_200025704644 [1,1,0,0,0,0|2,0,0]=4 3089 B12R1.112 COc1nc(ccc1CO[13CH3])Br 34a_100010988397_200025704644 [1,1,0,0,0,0|2,0,0]=4 3090 B12R1.112 COc1nc(ccc1CO[13CH3])Cl 34a_200009869906_200025704644 [1,1,0,0,0,0|2,0,0]=4 3091 B12R1.112 COc1nc(ccc1OCF)Br 34a_100010893133_100015361967 [1,1,0,0,0,0|2,0,0]=4 3092 B12R1.234 CCc1cc(cc(c1OC)C)Br 34a_100010659108_200000210301 [1,1,0,0,0,0|2,0,0]=4 3093 B12R1.234 CCc1cc(cc(c1OC)C)Br 7a_100010659108_200000210301 [1,1,0,0,0,0|2,0,0]=4 3094 B12R1.234 CCc1cc(cc(c1O[13CH3])C)Br 34a_100010659108_200025704644 [1,1,0,0,0,0|2,0,0]=4 3095 B12R1.234 CCc1cc(cc(c1O[13CH3])C)Br 7a_100010659108_200025704644 [1,1,0,0,0,0|2,0,0]=4 3096 B12R1.234 CNc1c(cc(cc1OC)Br)Br 34a_100010253907_200000210301 [1,1,0,0,0,0|2,0,0]=4 3097 B12R1.234 CNc1c(cc(cc1OC)Br)C 34a_100000741850_200000210301 [1,1,0,0,0,0|2,0,0]=4 3098 B12R1.234 CNc1c(cc(cc1OC)Cl)Br 34a_200010138668_200000210301 [1,1,0,0,0,0|2,0,0]=4 3099 B12R1.234 CNc1c(cc(cc1OC)Cl)Cl 34a_100009955935_200000210301 [1,1,0,0,0,0|2,0,0]=4 3100 B12R1.234 CNc1c(cc(cc1OC)F)Br 34a_100011004115_200000210301 [1,1,0,0,0,0|2,0,0]=4 3101 B12R1.234 CNc1cc(cc(c1OC)Br)Cl 34a_100000243884_200000210301 [1,1,0,0,0,0|2,0,0]=4 3102 B12R1.234 CNc1cc(cc(c1OC)Br)F 34a_100011190657_200000210301 [1,1,0,0,0,0|2,0,0]=4 3103 B12R1.234 CNc1cc(cc(c1OC)Cl)Cl 34a_100009871722_200000210301 [1,1,0,0,0,0|2,0,0]=4 3104 B12R1.234 CNc1cc(cc(c1OC)F)Br 34a_200010245146_200000210301 [1,1,0,0,0,0|2,0,0]=4 3105 B12R1.234 CNc1cc(cc(c1OC)F)C 34a_100009958095_200000210301 [1,1,0,0,0,0|1,0,1]=4 3106 B12R1.234 CNc1cc(cc(c1OC)F)F 34a_100000061580_200000210301 [1,1,0,0,0,0|2,0,0]=4 3107 B12R1.234 COc1c(cc(cc1N[13CH3])Br)F 34a_200010245146_200025704644 [1,1,0,0,0,0|2,0,0]=4 3108 B12R1.234 COc1c(cc(cc1N[13CH3])C)F 34a_100009958095_200025704644 [1,1,0,0,0,0|1,0,1]=4 3109 B12R1.234 COc1c(cc(cc1N[13CH3])Cl)Br 34a_100000243884_200025704644 [1,1,0,0,0,0|2,0,0]=4 3110 B12R1.234 COc1c(cc(cc1N[13CH3])Cl)Cl 34a_100009871722_200025704644 [1,1,0,0,0,0|2,0,0]=4 3111 B12R1.234 COc1c(cc(cc1N[13CH3])F)Br 34a_100011190657_200025704644 [1,1,0,0,0,0|2,0,0]=4 3112 B12R1.234 COc1c(cc(cc1N[13CH3])F)F 34a_100000061580_200025704644 [1,1,0,0,0,0|2,0,0]=4 3113 B12R1.234 COc1c(cc(cc1SC)Br)N 62a_100015658936_200000210301 [1,1,0,0,0,0|1,1,0]=4 3114 B12R1.234 COc1c(cc(cc1SC)Br)N 62a_200000210301_100015658936 [1,1,0,0,0,0|1,1,0]=4 3115 B12R1.234 COc1c(cc(cc1SC)C)F 62a_200000210301_200010713180 [1,1,0,0,0,0|0,1,1]=4 3116 B12R1.234 COc1c(cc(cc1SC)C)F 62a_200010713180_200000210301 [1,1,0,0,0,0|0,1,1]=4 3117 B12R1.234 COc1c(cc(cc1SC)F)F 62a_100009813607_200000210301 [1,1,0,0,0,0|1,1,0]=4 3118 B12R1.234 COc1c(cc(cc1SC)F)F 62a_200000210301_100009813607 [1,1,0,0,0,0|1,1,0]=4 3119 B12R1.234 COc1c(cc(cc1SC)F)N 62a_100011190657_200000210301 [1,1,0,0,0,0|1,1,0]=4 3120 B12R1.234 COc1c(cc(cc1SC)F)N 62a_200000210301_100011190657 [1,1,0,0,0,0|1,1,0]=4 3121 B12R1.234 COc1c(cc(cc1SC)N)C 62a_100010071304_200000210301 [1,1,0,0,0,0|1,1,0]=4 3122 B12R1.234 COc1c(cc(cc1SC)N)C 62a_200000210301_100010071304 [1,1,0,0,0,0|1,1,0]=4 3123 B12R1.234 COc1c(cc(cc1SC)N)F 62a_200000210301_200009816006 [1,1,0,0,0,0|1,1,0]=4 3124 B12R1.234 COc1c(cc(cc1SC)N)F 62a_200009816006_200000210301 [1,1,0,0,0,0|1,1,0]=4 3125 B12R1.234 COc1c(cc(cc1S[13CH3])Br)N 62a_100015658936_200025704644 [1,1,0,0,0,0|1,1,0]=4 3126 B12R1.234 COc1c(cc(cc1S[13CH3])Br)N 62a_200025704644_100015658936 [1,1,0,0,0,0|1,1,0]=4 3127 B12R1.234 COc1c(cc(cc1S[13CH3])C)F 62a_200010713180_200025704644 [1,1,0,0,0,0|0,1,1]=4 3128 B12R1.234 COc1c(cc(cc1S[13CH3])C)F 62a_200025704644_200010713180 [1,1,0,0,0,0|0,1,1]=4 3129 B12R1.234 COc1c(cc(cc1S[13CH3])F)F 62a_100009813607_200025704644 [1,1,0,0,0,0|1,1,0]=4 3130 B12R1.234 COc1c(cc(cc1S[13CH3])F)F 62a_200025704644_100009813607 [1,1,0,0,0,0|1,1,0]=4 3131 B12R1.234 COc1c(cc(cc1S[13CH3])F)N 62a_100011190657_200025704644 [1,1,0,0,0,0|1,1,0]=4 3132 B12R1.234 COc1c(cc(cc1S[13CH3])F)N 62a_200025704644_100011190657 [1,1,0,0,0,0|1,1,0]=4 3133 B12R1.234 COc1c(cc(cc1S[13CH3])N)C 62a_100010071304_200025704644 [1,1,0,0,0,0|1,1,0]=4 3134 B12R1.234 COc1c(cc(cc1S[13CH3])N)C 62a_200025704644_100010071304 [1,1,0,0,0,0|1,1,0]=4 3135 B12R1.234 COc1c(cc(cc1S[13CH3])N)F 62a_200009816006_200025704644 [1,1,0,0,0,0|1,1,0]=4 3136 B12R1.234 COc1c(cc(cc1S[13CH3])N)F 62a_200025704644_200009816006 [1,1,0,0,0,0|1,1,0]=4 3137 B12R1.234 COc1cc(cc(c1N[13CH3])Br)Br 34a_100010253907_200025704644 [1,1,0,0,0,0|2,0,0]=4 3138 B12R1.234 COc1cc(cc(c1N[13CH3])Br)Cl 34a_200010138668_200025704644 [1,1,0,0,0,0|2,0,0]=4 3139 B12R1.234 COc1cc(cc(c1N[13CH3])Br)F 34a_100011004115_200025704644 [1,1,0,0,0,0|2,0,0]=4 3140 B12R1.234 COc1cc(cc(c1N[13CH3])C)Br 34a_100000741850_200025704644 [1,1,0,0,0,0|2,0,0]=4 3141 B12R1.234 COc1cc(cc(c1N[13CH3])Cl)Cl 34a_100009955935_200025704644 [1,1,0,0,0,0|2,0,0]=4 3142 B12R1.234 COc1cc(cc(c1OC)Br)F 34a_200010391102_200000210301 [1,1,0,0,0,0|1,0,0]=3 3143 B12R1.234 COc1cc(cc(c1OC)Br)F 7a_200010391102_200000210301 [1,1,0,0,0,0|1,0,0]=3 3144 B12R1.234 COc1cc(cc(c1O[13CH3])Br)F 34a_200010391102_200025704644 [1,1,0,0,0,0|1,0,0]=3 3145 B12R1.234 COc1cc(cc(c1O[13CH3])Br)F 7a_200010391102_200025704644 [1,1,0,0,0,0|1,0,0]=3 3146 B12R1.234 COc1cc(cc(c1SC)Br)Cl 62a_100025705407_200000210301 [1,1,0,0,0,0|1,1,0]=4 3147 B12R1.234 COc1cc(cc(c1SC)Br)Cl 62a_200000210301_100025705407 [1,1,0,0,0,0|1,1,0]=4 3148 B12R1.234 COc1cc(cc(c1SC)Cl)Cl 62a_100010292537_200000210301 [1,1,0,0,0,0|1,1,0]=4 3149 B12R1.234 COc1cc(cc(c1SC)Cl)Cl 62a_200000210301_100010292537 [1,1,0,0,0,0|1,1,0]=4 3150 B12R1.234 COc1cc(cc(c1SC)F)Br 62a_100010713143_200000210301 [1,1,0,0,0,0|1,1,0]=4 3151 B12R1.234 COc1cc(cc(c1SC)F)Br 62a_200000210301_100010713143 [1,1,0,0,0,0|1,1,0]=4 3152 B12R1.234 COc1cc(cc(c1S[13CH3])Br)Cl 62a_100025705407_200025704644 [1,1,0,0,0,0|1,1,0]=4 3153 B12R1.234 COc1cc(cc(c1S[13CH3])Br)Cl 62a_200025704644_100025705407 [1,1,0,0,0,0|1,1,0]=4 3154 B12R1.234 COc1cc(cc(c1S[13CH3])Cl)Cl 62a_100010292537_200025704644 [1,1,0,0,0,0|1,1,0]=4 3155 B12R1.234 COc1cc(cc(c1S[13CH3])Cl)Cl 62a_200025704644_100010292537 [1,1,0,0,0,0|1,1,0]=4 3156 B12R1.234 COc1cc(cc(c1S[13CH3])F)Br 62a_100010713143_200025704644 [1,1,0,0,0,0|1,1,0]=4 3157 B12R1.234 COc1cc(cc(c1S[13CH3])F)Br 62a_200025704644_100010713143 [1,1,0,0,0,0|1,1,0]=4 3158 B12R1.268 CC=Cc1cc(=O)[nH]cc1OC 271570a_100016259895_100121573661 [1,1,0,0,0,0|2,0,0]=4 3159 B12R1.268 CC=Cc1cc(ccc1OC)Br 271570a_100016259895_100012351588 [1,1,0,0,0,0|2,0,0]=4 3160 B12R1.268 CC=Cc1cc(ccc1OC)C 271570a_100016259895_100000186399 [1,1,0,0,0,0|1,0,1]=4 3161 B12R1.268 CC=Cc1cc(ccc1OC)Cl 271570a_100016259895_100011215930 [1,1,0,0,0,0|2,0,0]=4 3162 B12R1.268 CC=Cc1cc(ccc1OC)F 271570a_100016259895_100000171694 [1,1,0,0,0,0|2,0,0]=4 3163 B12R1.268 CC=Cc1cc(ccc1OC)N 271570a_100016259895_100000187427 [1,1,0,0,0,0|2,0,0]=4 3164 B12R1.268 CC=Cc1cc(ccc1OC)O 271570a_100016259895_100010084122 [1,1,0,0,0,0|1,0,1]=4 3165 B12R1.268 CCNc1cc(ccc1OC)Br 34a_100000743470_100000210202 [1,1,0,0,0,0|2,0,0]=4 3166 B12R1.268 CCNc1cc(ccc1OC)C 2230a_100000210980_100000210202 [1,1,0,0,0,0|1,0,1]=4 3167 B12R1.268 CCNc1cc(ccc1OC)C 34a_100000210980_100000210202 [1,1,0,0,0,0|1,0,1]=4 3168 B12R1.268 CCNc1cc(ccc1OC)Cl 34a_100000182114_100000210202 [1,1,0,0,0,0|2,0,0]=4 3169 B12R1.268 CCNc1cc(ccc1OC)F 34a_100000757179_100000210202 [1,1,0,0,0,0|2,0,0]=4 3170 B12R1.268 CCOc1cc(ccc1NC)Br 2230a_100000688918_200000210301 [1,1,0,0,0,0|2,0,0]=4 3171 B12R1.268 CCOc1cc(ccc1NC)Br 34a_100000688918_200000210301 [1,1,0,0,0,0|2,0,0]=4 3172 B12R1.268 CCOc1cc(ccc1NC)C 2230a_100000742043_200000210301 [1,1,0,0,0,0|1,0,1]=4 3173 B12R1.268 CCOc1cc(ccc1NC)C 34a_100000742043_200000210301 [1,1,0,0,0,0|1,0,1]=4 3174 B12R1.268 CCOc1cc(ccc1NC)Cl 34a_100000687649_200000210301 [1,1,0,0,0,0|2,0,0]=4 3175 B12R1.268 CCOc1cc(ccc1NC)F 2230a_100000741351_200000210301 [1,1,0,0,0,0|2,0,0]=4 3176 B12R1.268 CCOc1cc(ccc1NC)F 34a_100000741351_200000210301 [1,1,0,0,0,0|2,0,0]=4 3177 B12R1.268 CCOc1cc(ccc1N[13CH3])Br 2230a_100000688918_200025704644 [1,1,0,0,0,0|2,0,0]=4 3178 B12R1.268 CCOc1cc(ccc1N[13CH3])Br 34a_100000688918_200025704644 [1,1,0,0,0,0|2,0,0]=4 3179 B12R1.268 CCOc1cc(ccc1N[13CH3])C 2230a_100000742043_200025704644 [1,1,0,0,0,0|1,0,1]=4 3180 B12R1.268 CCOc1cc(ccc1N[13CH3])C 34a_100000742043_200025704644 [1,1,0,0,0,0|1,0,1]=4 3181 B12R1.268 CCOc1cc(ccc1N[13CH3])Cl 34a_100000687649_200025704644 [1,1,0,0,0,0|2,0,0]=4 3182 B12R1.268 CCOc1cc(ccc1N[13CH3])F 2230a_100000741351_200025704644 [1,1,0,0,0,0|2,0,0]=4 3183 B12R1.268 CCOc1cc(ccc1N[13CH3])F 34a_100000741351_200025704644 [1,1,0,0,0,0|2,0,0]=4 3184 B12R1.268 CCOc1cc(ccc1OC)Br 34a_100009816560_100000210202 [1,1,0,0,0,0|1,0,0]=3 3185 B12R1.268 CCOc1cc(ccc1OC)Br 7a_100009816560_100000210202 [1,1,0,0,0,0|1,0,0]=3 3186 B12R1.268 CCOc1cc(ccc1OC)C 34a_100011216497_100000210202 [1,1,0,0,0,0|0,0,1]=3 3187 B12R1.268 CCOc1cc(ccc1OC)C 34a_200000034294_200000210301 [1,1,0,0,0,0|0,0,1]=3 3188 B12R1.268 CCOc1cc(ccc1OC)C 7a_100011216497_100000210202 [1,1,0,0,0,0|0,0,1]=3 3189 B12R1.268 CCOc1cc(ccc1OC)C 7a_200000034294_200000210301 [1,1,0,0,0,0|0,0,1]=3 3190 B12R1.268 CCOc1cc(ccc1OC)Cl 34a_100000101779_100000210202 [1,1,0,0,0,0|1,0,0]=3 3191 B12R1.268 CCOc1cc(ccc1OC)Cl 7a_100000101779_100000210202 [1,1,0,0,0,0|1,0,0]=3 3192 B12R1.268 CCOc1cc(ccc1OC)F 34a_100000034962_100000210202 [1,1,0,0,0,0|1,0,0]=3 3193 B12R1.268 CCOc1cc(ccc1OC)F 7a_100000034962_100000210202 [1,1,0,0,0,0|1,0,0]=3 3194 B12R1.268 CCOc1cc(ccc1OC)N 34a_100000211920_100000210202 [1,1,0,0,0,0|1,0,0]=3 3195 B12R1.268 CCOc1cc(ccc1OC)O 271570a_203496583355_200010219349 [1,1,0,0,0,0|0,0,1]=3 3196 B12R1.268 CCOc1cc(ccc1O[13CH3])C 34a_200000034294_200025704644 [1,1,0,0,0,0|0,0,1]=3 3197 B12R1.268 CCOc1cc(ccc1O[13CH3])C 7a_200000034294_200025704644 [1,1,0,0,0,0|0,0,1]=3 3198 B12R1.268 CCOc1cc(ccc1SC)C 62a_200000210301_200010713166 [1,1,0,0,0,0|0,1,1]=4 3199 B12R1.268 CCOc1cc(ccc1SC)C 62a_200010713166_200000210301 [1,1,0,0,0,0|0,1,1]=4 3200 B12R1.268 CCOc1cc(ccc1SC)F 62a_200000210301_200012340411 [1,1,0,0,0,0|1,1,0]=4 3201 B12R1.268 CCOc1cc(ccc1SC)F 62a_200012340411_200000210301 [1,1,0,0,0,0|1,1,0]=4 3202 B12R1.268 CCOc1cc(ccc1SC)N 62a_200000210301_200016990551 [1,1,0,0,0,0|1,1,0]=4 3203 B12R1.268 CCOc1cc(ccc1SC)N 62a_200016990551_200000210301 [1,1,0,0,0,0|1,1,0]=4 3204 B12R1.268 CCOc1cc(ccc1S[13CH3])C 62a_200010713166_200025704644 [1,1,0,0,0,0|0,1,1]=4 3205 B12R1.268 CCOc1cc(ccc1S[13CH3])C 62a_200025704644_200010713166 [1,1,0,0,0,0|0,1,1]=4 3206 B12R1.268 CCOc1cc(ccc1S[13CH3])F 62a_200012340411_200025704644 [1,1,0,0,0,0|1,1,0]=4 3207 B12R1.268 CCOc1cc(ccc1S[13CH3])F 62a_200025704644_200012340411 [1,1,0,0,0,0|1,1,0]=4 3208 B12R1.268 CCOc1cc(ccc1S[13CH3])N 62a_200016990551_200025704644 [1,1,0,0,0,0|1,1,0]=4 3209 B12R1.268 CCOc1cc(ccc1S[13CH3])N 62a_200025704644_200016990551 [1,1,0,0,0,0|1,1,0]=4 3210 B12R1.268 CCOc1cc(cnc1OC)Br 34a_100010135713_100000210202 [1,1,0,0,0,0|2,0,0]=4 3211 B12R1.268 CCOc1cc(ncc1OC)Br 34a_100010264082_100000210202 [1,1,0,0,0,0|2,0,0]=4 3212 B12R1.268 CCOc1cc(ncc1OC)Cl 34a_100009849459_100000210202 [1,1,0,0,0,0|2,0,0]=4 3213 B12R1.268 CCSc1cc(=O)[nH]cc1OC 62a_100000210202_100121573661 [1,1,0,0,0,0|1,1,0]=4 3214 B12R1.268 CCSc1cc(=O)[nH]cc1OC 62a_100121573661_100000210202 [1,1,0,0,0,0|1,1,0]=4 3215 B12R1.268 CCSc1cc(ccc1OC)Br 62a_100000210202_100012351588 [1,1,0,0,0,0|1,1,0]=4 3216 B12R1.268 CCSc1cc(ccc1OC)Br 62a_100012351588_100000210202 [1,1,0,0,0,0|1,1,0]=4 3217 B12R1.268 CCSc1cc(ccc1OC)C 62a_100000186399_100000210202 [1,1,0,0,0,0|0,1,1]=4 3218 B12R1.268 CCSc1cc(ccc1OC)C 62a_100000210202_100000186399 [1,1,0,0,0,0|0,1,1]=4 3219 B12R1.268 CCSc1cc(ccc1OC)Cl 62a_100000210202_100011215930 [1,1,0,0,0,0|1,1,0]=4 3220 B12R1.268 CCSc1cc(ccc1OC)Cl 62a_100011215930_100000210202 [1,1,0,0,0,0|1,1,0]=4 3221 B12R1.268 CCSc1cc(ccc1OC)F 62a_100000171694_100000210202 [1,1,0,0,0,0|1,1,0]=4 3222 B12R1.268 CCSc1cc(ccc1OC)F 62a_100000210202_100000171694 [1,1,0,0,0,0|1,1,0]=4 3223 B12R1.268 CCSc1cc(ccc1OC)N 62a_100000210202_100011356947 [1,1,0,0,0,0|1,1,0]=4 3224 B12R1.268 CCSc1cc(ccc1OC)N 62a_100011356947_100000210202 [1,1,0,0,0,0|1,1,0]=4 3225 B12R1.268 CCSc1cc(ccc1OC)O 62a_100000210202_100010234764 [1,1,0,0,0,0|0,1,1]=4 3226 B12R1.268 CCSc1cc(ccc1OC)O 62a_100010234764_100000210202 [1,1,0,0,0,0|0,1,1]=4 3227 B12R1.268 CCc1ccc(cc1COC)Br 34a_100010766240_200000210301 [1,1,0,0,0,0|2,0,0]=4 3228 B12R1.268 CCc1ccc(cc1COC)Br 7a_100010766240_200000210301 [1,1,0,0,0,0|2,0,0]=4 3229 B12R1.268 CCc1ccc(cc1CO[13CH3])Br 34a_100010766240_200025704644 [1,1,0,0,0,0|2,0,0]=4 3230 B12R1.268 CCc1ccc(cc1CO[13CH3])Br 7a_100010766240_200025704644 [1,1,0,0,0,0|2,0,0]=4 3231 B12R1.268 CNCc1cc(ccc1OC)Br 207a_100102657272_100000170026 [1,1,0,0,0,0|2,0,0]=4 3232 B12R1.268 CNCc1cc(ccc1OC)Br 2230a_106832991635_100000204665 [1,1,0,0,0,0|2,0,0]=4 3233 B12R1.268 CNCc1cc(ccc1OC)Br 26a_100102657272_100009816560 [1,1,0,0,0,0|2,0,0]=4 3234 B12R1.268 CNCc1cc(ccc1OC)Br 270004a_106832991635_100000170026 [1,1,0,0,0,0|2,0,0]=4 3235 B12R1.268 CNCc1cc(ccc1OC)Br 34a_100000690498_200000210301 [1,1,0,0,0,0|2,0,0]=4 3236 B12R1.268 CNCc1cc(ccc1OC)Br 34a_100011602694_200000210301 [1,1,0,0,0,0|2,0,0]=4 3237 B12R1.268 CNCc1cc(ccc1OC)Br 34a_100102657272_100000204665 [1,1,0,0,0,0|2,0,0]=4 3238 B12R1.268 CNCc1cc(ccc1OC)Br 7a_106832991635_100000204665 [1,1,0,0,0,0|2,0,0]=4 3239 B12R1.268 CNCc1cc(ccc1OC)C 207a_100102657272_100000203738 [1,1,0,0,0,0|1,0,1]=4 3240 B12R1.268 CNCc1cc(ccc1OC)C 2230a_106832991635_100000199068 [1,1,0,0,0,0|1,0,1]=4 3241 B12R1.268 CNCc1cc(ccc1OC)C 270004a_106832991635_100000203738 [1,1,0,0,0,0|1,0,1]=4 3242 B12R1.268 CNCc1cc(ccc1OC)C 34a_100102657272_100000199068 [1,1,0,0,0,0|1,0,1]=4 3243 B12R1.268 CNCc1cc(ccc1OC)C 7a_106832991635_100000199068 [1,1,0,0,0,0|1,0,1]=4 3244 B12R1.268 CNCc1cc(ccc1OC)Cl 207a_100102657272_100000188328 [1,1,0,0,0,0|2,0,0]=4 3245 B12R1.268 CNCc1cc(ccc1OC)Cl 2230a_100000740580_200000210301 [1,1,0,0,0,0|2,0,0]=4 3246 B12R1.268 CNCc1cc(ccc1OC)Cl 2230a_106832991635_100000209806 [1,1,0,0,0,0|2,0,0]=4 3247 B12R1.268 CNCc1cc(ccc1OC)Cl 270004a_106832991635_100000188328 [1,1,0,0,0,0|2,0,0]=4 3248 B12R1.268 CNCc1cc(ccc1OC)Cl 34a_100000712467_200000210301 [1,1,0,0,0,0|2,0,0]=4 3249 B12R1.268 CNCc1cc(ccc1OC)Cl 34a_100000740580_200000210301 [1,1,0,0,0,0|2,0,0]=4 3250 B12R1.268 CNCc1cc(ccc1OC)Cl 34a_100102657272_100000209806 [1,1,0,0,0,0|2,0,0]=4 3251 B12R1.268 CNCc1cc(ccc1OC)Cl 7a_106832991635_100000209806 [1,1,0,0,0,0|2,0,0]=4 3252 B12R1.268 CNCc1cc(ccc1OC)F 207a_100102657272_100000722865 [1,1,0,0,0,0|2,0,0]=4 3253 B12R1.268 CNCc1cc(ccc1OC)F 2230a_106832991635_100011830354 [1,1,0,0,0,0|2,0,0]=4 3254 B12R1.268 CNCc1cc(ccc1OC)F 270004a_106832991635_100000722865 [1,1,0,0,0,0|2,0,0]=4 3255 B12R1.268 CNCc1cc(ccc1OC)F 34a_100011199032_200000210301 [1,1,0,0,0,0|2,0,0]=4 3256 B12R1.268 CNCc1cc(ccc1OC)F 34a_100102657272_100011830354 [1,1,0,0,0,0|2,0,0]=4 3257 B12R1.268 CNCc1cc(ccc1OC)F 34a_114855342409_200000210301 [1,1,0,0,0,0|2,0,0]=4 3258 B12R1.268 CNCc1cc(ccc1OC)F 7a_106832991635_100011830354 [1,1,0,0,0,0|2,0,0]=4 3259 B12R1.268 CNCc1cc(ccc1OC)I 207a_100102657272_100011266407 [1,1,0,0,0,0|2,0,0]=4 3260 B12R1.268 CNCc1cc(ccc1OC)I 270004a_106832991635_100011266407 [1,1,0,0,0,0|2,0,0]=4 3261 B12R1.268 CNCc1cc(ccc1OC)O 207a_100102657272_100000067581 [1,1,0,0,0,0|1,0,1]=4 3262 B12R1.268 CNCc1cc(ccc1OC)O 271570a_203496583355_100000690607 [1,1,0,0,0,0|1,0,1]=4 3263 B12R1.268 CNCc1cc(ccc1O[13CH3])Br 34a_100011602694_200025704644 [1,1,0,0,0,0|2,0,0]=4 3264 B12R1.268 CNCc1cc(ccc1O[13CH3])Cl 34a_100000712467_200025704644 [1,1,0,0,0,0|2,0,0]=4 3265 B12R1.268 CNCc1cc(ccc1O[13CH3])F 34a_114855342409_200025704644 [1,1,0,0,0,0|2,0,0]=4 3266 B12R1.268 COCc1cc(ccc1OC)Br 34a_100000204679_200000210301 [1,1,0,0,0,0|1,0,0]=3 3267 B12R1.268 COCc1cc(ccc1OC)Br 34a_100138415774_100000204665 [1,1,0,0,0,0|1,0,0]=3 3268 B12R1.268 COCc1cc(ccc1OC)Br 7a_100000204679_200000210301 [1,1,0,0,0,0|1,0,0]=3 3269 B12R1.268 COCc1cc(ccc1OC)C 34a_100138415774_100000199068 [1,1,0,0,0,0|0,0,1]=3 3270 B12R1.268 COCc1cc(ccc1OC)C 34a_200000246444_200000210301 [1,1,0,0,0,0|0,0,1]=3 3271 B12R1.268 COCc1cc(ccc1OC)C 7a_200000246444_200000210301 [1,1,0,0,0,0|0,0,1]=3 3272 B12R1.268 COCc1cc(ccc1OC)Cl 34a_100138415774_100000209806 [1,1,0,0,0,0|1,0,0]=3 3273 B12R1.268 COCc1cc(ccc1OC)F 34a_100011266440_200000210301 [1,1,0,0,0,0|1,0,0]=3 3274 B12R1.268 COCc1cc(ccc1OC)F 34a_100135391359_200000210301 [1,1,0,0,0,0|1,0,0]=3 3275 B12R1.268 COCc1cc(ccc1OC)F 34a_100138415774_100011830354 [1,1,0,0,0,0|1,0,0]=3 3276 B12R1.268 COCc1cc(ccc1OC)F 7a_100011266440_200000210301 [1,1,0,0,0,0|1,0,0]=3 3277 B12R1.268 COCc1cc(ccc1OC)F 7a_100135391359_200000210301 [1,1,0,0,0,0|1,0,0]=3 3278 B12R1.268 COCc1cc(ccc1OC)I 34a_200137411115_200000210301 [1,1,0,0,0,0|1,0,0]=3 3279 B12R1.268 COCc1cc(ccc1OC)I 7a_200137411115_200000210301 [1,1,0,0,0,0|1,0,0]=3 3280 B12R1.268 COCc1cc(ccc1OC)O 271570a_203496583355_200011493686 [1,1,0,0,0,0|0,0,1]=3 3281 B12R1.268 COCc1cc(ccc1O[13CH3])F 34a_100135391359_200025704644 [1,1,0,0,0,0|1,0,0]=3 3282 B12R1.268 COCc1cc(ccc1O[13CH3])F 7a_100135391359_200025704644 [1,1,0,0,0,0|1,0,0]=3 3283 B12R1.268 COCc1cc(cnc1OC)Br 34a_100000695684_200000210301 [1,1,0,0,0,0|2,0,0]=4 3284 B12R1.268 COCc1cc(cnc1OC)Br 34a_100138415774_100010065838 [1,1,0,0,0,0|2,0,0]=4 3285 B12R1.268 COCc1cc(cnc1OC)F 34a_100011997213_200000210301 [1,1,0,0,0,0|2,0,0]=4 3286 B12R1.268 COc1c[nH]c(=O)cc1SCF 62a_100015361967_100121573661 [1,1,0,0,0,0|1,1,0]=4 3287 B12R1.268 COc1c[nH]c(=O)cc1SCF 62a_100121573661_100015361967 [1,1,0,0,0,0|1,1,0]=4 3288 B12R1.268 COc1ccc(cc1CCN)O 271570a_203496583355_100000763266 [1,1,0,0,0,0|1,0,1]=4 3289 B12R1.268 COc1ccc(cc1CN[13CH3])Br 34a_100000690498_200025704644 [1,1,0,0,0,0|2,0,0]=4 3290 B12R1.268 COc1ccc(cc1CN[13CH3])Cl 2230a_100000740580_200025704644 [1,1,0,0,0,0|2,0,0]=4 3291 B12R1.268 COc1ccc(cc1CN[13CH3])Cl 34a_100000740580_200025704644 [1,1,0,0,0,0|2,0,0]=4 3292 B12R1.268 COc1ccc(cc1CN[13CH3])F 34a_100011199032_200025704644 [1,1,0,0,0,0|2,0,0]=4 3293 B12R1.268 COc1ccc(cc1CO[13CH3])Br 34a_100000204679_200025704644 [1,1,0,0,0,0|1,0,0]=3 3294 B12R1.268 COc1ccc(cc1CO[13CH3])Br 7a_100000204679_200025704644 [1,1,0,0,0,0|1,0,0]=3 3295 B12R1.268 COc1ccc(cc1CO[13CH3])C 34a_200000246444_200025704644 [1,1,0,0,0,0|0,0,1]=3 3296 B12R1.268 COc1ccc(cc1CO[13CH3])C 7a_200000246444_200025704644 [1,1,0,0,0,0|0,0,1]=3 3297 B12R1.268 COc1ccc(cc1CO[13CH3])F 34a_100011266440_200025704644 [1,1,0,0,0,0|1,0,0]=3 3298 B12R1.268 COc1ccc(cc1CO[13CH3])F 7a_100011266440_200025704644 [1,1,0,0,0,0|1,0,0]=3 3299 B12R1.268 COc1ccc(cc1CO[13CH3])I 34a_200137411115_200025704644 [1,1,0,0,0,0|1,0,0]=3 3300 B12R1.268 COc1ccc(cc1CO[13CH3])I 7a_200137411115_200025704644 [1,1,0,0,0,0|1,0,0]=3 3301 B12R1.268 COc1ccc(cc1CSC)Br 62a_100000204665_200000210301 [1,1,0,0,0,0|1,1,0]=4 3302 B12R1.268 COc1ccc(cc1CSC)Br 62a_200000210301_100000204665 [1,1,0,0,0,0|1,1,0]=4 3303 B12R1.268 COc1ccc(cc1CSC)C 62a_100000199068_200000210301 [1,1,0,0,0,0|0,1,1]=4 3304 B12R1.268 COc1ccc(cc1CSC)C 62a_200000210301_100000199068 [1,1,0,0,0,0|0,1,1]=4 3305 B12R1.268 COc1ccc(cc1CSC)Cl 62a_100000209806_200000210301 [1,1,0,0,0,0|1,1,0]=4 3306 B12R1.268 COc1ccc(cc1CSC)Cl 62a_200000210301_100000209806 [1,1,0,0,0,0|1,1,0]=4 3307 B12R1.268 COc1ccc(cc1CSC)F 62a_100011830354_200000210301 [1,1,0,0,0,0|1,1,0]=4 3308 B12R1.268 COc1ccc(cc1CSC)F 62a_200000210301_100011830354 [1,1,0,0,0,0|1,1,0]=4 3309 B12R1.268 COc1ccc(cc1CS[13CH3])Br 62a_100000204665_200025704644 [1,1,0,0,0,0|1,1,0]=4 3310 B12R1.268 COc1ccc(cc1CS[13CH3])Br 62a_200025704644_100000204665 [1,1,0,0,0,0|1,1,0]=4 3311 B12R1.268 COc1ccc(cc1CS[13CH3])C 62a_100000199068_200025704644 [1,1,0,0,0,0|0,1,1]=4 3312 B12R1.268 COc1ccc(cc1CS[13CH3])C 62a_200025704644_100000199068 [1,1,0,0,0,0|0,1,1]=4 3313 B12R1.268 COc1ccc(cc1CS[13CH3])Cl 62a_100000209806_200025704644 [1,1,0,0,0,0|1,1,0]=4 3314 B12R1.268 COc1ccc(cc1CS[13CH3])Cl 62a_200025704644_100000209806 [1,1,0,0,0,0|1,1,0]=4 3315 B12R1.268 COc1ccc(cc1CS[13CH3])F 62a_100011830354_200025704644 [1,1,0,0,0,0|1,1,0]=4 3316 B12R1.268 COc1ccc(cc1CS[13CH3])F 62a_200025704644_100011830354 [1,1,0,0,0,0|1,1,0]=4 3317 B12R1.268 COc1ccc(cc1NCF)Br 34a_100000743470_100015361967 [1,1,0,0,0,0|2,0,0]=4 3318 B12R1.268 COc1ccc(cc1NCF)C 34a_100000210980_100015361967 [1,1,0,0,0,0|1,0,1]=4 3319 B12R1.268 COc1ccc(cc1NCF)Cl 34a_100000182114_100015361967 [1,1,0,0,0,0|2,0,0]=4 3320 B12R1.268 COc1ccc(cc1NCF)F 34a_100000757179_100015361967 [1,1,0,0,0,0|2,0,0]=4 3321 B12R1.268 COc1ccc(cc1OCF)Br 34a_100009816560_100015361967 [1,1,0,0,0,0|1,0,0]=3 3322 B12R1.268 COc1ccc(cc1OCF)Br 7a_100009816560_100015361967 [1,1,0,0,0,0|1,0,0]=3 3323 B12R1.268 COc1ccc(cc1OCF)C 34a_100011216497_100015361967 [1,1,0,0,0,0|0,0,1]=3 3324 B12R1.268 COc1ccc(cc1OCF)C 7a_100011216497_100015361967 [1,1,0,0,0,0|0,0,1]=3 3325 B12R1.268 COc1ccc(cc1OCF)Cl 34a_100000101779_100015361967 [1,1,0,0,0,0|1,0,0]=3 3326 B12R1.268 COc1ccc(cc1OCF)Cl 7a_100000101779_100015361967 [1,1,0,0,0,0|1,0,0]=3 3327 B12R1.268 COc1ccc(cc1OCF)F 34a_100000034962_100015361967 [1,1,0,0,0,0|1,0,0]=3 3328 B12R1.268 COc1ccc(cc1OCF)F 7a_100000034962_100015361967 [1,1,0,0,0,0|1,0,0]=3 3329 B12R1.268 COc1ccc(cc1OCF)N 34a_100000211920_100015361967 [1,1,0,0,0,0|1,0,0]=3 3330 B12R1.268 COc1ccc(cc1SCF)Br 62a_100012351588_100015361967 [1,1,0,0,0,0|1,1,0]=4 3331 B12R1.268 COc1ccc(cc1SCF)Br 62a_100015361967_100012351588 [1,1,0,0,0,0|1,1,0]=4 3332 B12R1.268 COc1ccc(cc1SCF)C 62a_100000186399_100015361967 [1,1,0,0,0,0|0,1,1]=4 3333 B12R1.268 COc1ccc(cc1SCF)C 62a_100015361967_100000186399 [1,1,0,0,0,0|0,1,1]=4 3334 B12R1.268 COc1ccc(cc1SCF)Cl 62a_100011215930_100015361967 [1,1,0,0,0,0|1,1,0]=4 3335 B12R1.268 COc1ccc(cc1SCF)Cl 62a_100015361967_100011215930 [1,1,0,0,0,0|1,1,0]=4 3336 B12R1.268 COc1ccc(cc1SCF)F 62a_100000171694_100015361967 [1,1,0,0,0,0|1,1,0]=4 3337 B12R1.268 COc1ccc(cc1SCF)F 62a_100015361967_100000171694 [1,1,0,0,0,0|1,1,0]=4 3338 B12R1.268 COc1ccc(cc1SCF)N 62a_100011356947_100015361967 [1,1,0,0,0,0|1,1,0]=4 3339 B12R1.268 COc1ccc(cc1SCF)N 62a_100015361967_100011356947 [1,1,0,0,0,0|1,1,0]=4 3340 B12R1.268 COc1ccc(cc1SCF)O 62a_100010234764_100015361967 [1,1,0,0,0,0|0,1,1]=4 3341 B12R1.268 COc1ccc(cc1SCF)O 62a_100015361967_100010234764 [1,1,0,0,0,0|0,1,1]=4 3342 B12R1.268 COc1cnc(cc1OCF)Br 34a_100010264082_100015361967 [1,1,0,0,0,0|2,0,0]=4 3343 B12R1.268 COc1cnc(cc1OCF)Cl 34a_100009849459_100015361967 [1,1,0,0,0,0|2,0,0]=4 3344 B12R1.268 COc1ncc(cc1CO[13CH3])Br 34a_100000695684_200025704644 [1,1,0,0,0,0|2,0,0]=4 3345 B12R1.268 COc1ncc(cc1CO[13CH3])F 34a_100011997213_200025704644 [1,1,0,0,0,0|2,0,0]=4 3346 B12R1.268 COc1ncc(cc1OCF)Br 34a_100010135713_100015361967 [1,1,0,0,0,0|2,0,0]=4 3347 B12R1.448 CNc1cc(c(cc1OC)Br)C 2230a_100010141321_200000210301 [1,1,0,0,0,0|1,0,1]=4 3348 B12R1.448 CNc1cc(c(cc1OC)Br)C 34a_100010141321_200000210301 [1,1,0,0,0,0|1,0,1]=4 3349 B12R1.448 CNc1cc(c(cc1OC)Br)Cl 2230a_100010212225_200000210301 [1,1,0,0,0,0|2,0,0]=4 3350 B12R1.448 CNc1cc(c(cc1OC)Br)Cl 34a_100010212225_200000210301 [1,1,0,0,0,0|2,0,0]=4 3351 B12R1.448 CNc1cc(c(cc1OC)Br)F 2230a_100012766639_200000210301 [1,1,0,0,0,0|2,0,0]=4 3352 B12R1.448 CNc1cc(c(cc1OC)Br)F 34a_100012766639_200000210301 [1,1,0,0,0,0|2,0,0]=4 3353 B12R1.448 CNc1cc(c(cc1OC)C)Cl 2230a_100009868623_200000210301 [1,1,0,0,0,0|1,0,1]=4 3354 B12R1.448 CNc1cc(c(cc1OC)C)Cl 34a_100009868623_200000210301 [1,1,0,0,0,0|1,0,1]=4 3355 B12R1.448 CNc1cc(c(cc1OC)Cl)Br 2230a_100010380671_200000210301 [1,1,0,0,0,0|2,0,0]=4 3356 B12R1.448 CNc1cc(c(cc1OC)Cl)Br 34a_100010380671_200000210301 [1,1,0,0,0,0|2,0,0]=4 3357 B12R1.448 CNc1cc(c(cc1OC)Cl)C 2230a_100000211396_200000210301 [1,1,0,0,0,0|1,0,1]=4 3358 B12R1.448 CNc1cc(c(cc1OC)Cl)C 34a_100000211396_200000210301 [1,1,0,0,0,0|1,0,1]=4 3359 B12R1.448 CNc1cc(c(cc1OC)Cl)I 34a_100011011177_200000210301 [1,1,0,0,0,0|2,0,0]=4 3360 B12R1.448 CNc1cc(c(cc1OC)F)Br 2230a_100012361397_200000210301 [1,1,0,0,0,0|2,0,0]=4 3361 B12R1.448 CNc1cc(c(cc1OC)F)Br 34a_100012361397_200000210301 [1,1,0,0,0,0|2,0,0]=4 3362 B12R1.448 CNc1cc(c(cc1OC)F)Br 7a_100012361397_200000210301 [1,1,0,0,0,0|2,0,0]=4 3363 B12R1.448 CNc1cc(c(cc1OC)F)Cl 2230a_100012186795_200000210301 [1,1,0,0,0,0|2,0,0]=4 3364 B12R1.448 CNc1cc(c(cc1OC)F)Cl 34a_100012186795_200000210301 [1,1,0,0,0,0|2,0,0]=4 3365 B12R1.448 CNc1cc(c(cc1OC)F)F 2230a_100000732608_200000210301 [1,1,0,0,0,0|2,0,0]=4 3366 B12R1.448 CNc1cc(c(cc1OC)F)F 34a_100000732608_200000210301 [1,1,0,0,0,0|2,0,0]=4 3367 B12R1.448 CNc1cc(c(cc1OC)F)F 7a_100000732608_200000210301 [1,1,0,0,0,0|2,0,0]=4 3368 B12R1.448 COc1cc(c(cc1N[13CH3])Br)Cl 2230a_100010380671_200025704644 [1,1,0,0,0,0|2,0,0]=4 3369 B12R1.448 COc1cc(c(cc1N[13CH3])Br)Cl 34a_100010380671_200025704644 [1,1,0,0,0,0|2,0,0]=4 3370 B12R1.448 COc1cc(c(cc1N[13CH3])Br)F 2230a_100012361397_200025704644 [1,1,0,0,0,0|2,0,0]=4 3371 B12R1.448 COc1cc(c(cc1N[13CH3])Br)F 34a_100012361397_200025704644 [1,1,0,0,0,0|2,0,0]=4 3372 B12R1.448 COc1cc(c(cc1N[13CH3])Br)F 7a_100012361397_200025704644 [1,1,0,0,0,0|2,0,0]=4 3373 B12R1.448 COc1cc(c(cc1N[13CH3])C)Br 2230a_100010141321_200025704644 [1,1,0,0,0,0|1,0,1]=4 3374 B12R1.448 COc1cc(c(cc1N[13CH3])C)Br 34a_100010141321_200025704644 [1,1,0,0,0,0|1,0,1]=4 3375 B12R1.448 COc1cc(c(cc1N[13CH3])C)Cl 2230a_100000211396_200025704644 [1,1,0,0,0,0|1,0,1]=4 3376 B12R1.448 COc1cc(c(cc1N[13CH3])C)Cl 34a_100000211396_200025704644 [1,1,0,0,0,0|1,0,1]=4 3377 B12R1.448 COc1cc(c(cc1N[13CH3])Cl)Br 2230a_100010212225_200025704644 [1,1,0,0,0,0|2,0,0]=4 3378 B12R1.448 COc1cc(c(cc1N[13CH3])Cl)Br 34a_100010212225_200025704644 [1,1,0,0,0,0|2,0,0]=4 3379 B12R1.448 COc1cc(c(cc1N[13CH3])Cl)C 2230a_100009868623_200025704644 [1,1,0,0,0,0|1,0,1]=4 3380 B12R1.448 COc1cc(c(cc1N[13CH3])Cl)C 34a_100009868623_200025704644 [1,1,0,0,0,0|1,0,1]=4 3381 B12R1.448 COc1cc(c(cc1N[13CH3])Cl)F 2230a_100012186795_200025704644 [1,1,0,0,0,0|2,0,0]=4 3382 B12R1.448 COc1cc(c(cc1N[13CH3])Cl)F 34a_100012186795_200025704644 [1,1,0,0,0,0|2,0,0]=4 3383 B12R1.448 COc1cc(c(cc1N[13CH3])F)Br 2230a_100012766639_200025704644 [1,1,0,0,0,0|2,0,0]=4 3384 B12R1.448 COc1cc(c(cc1N[13CH3])F)Br 34a_100012766639_200025704644 [1,1,0,0,0,0|2,0,0]=4 3385 B12R1.448 COc1cc(c(cc1N[13CH3])F)F 2230a_100000732608_200025704644 [1,1,0,0,0,0|2,0,0]=4 3386 B12R1.448 COc1cc(c(cc1N[13CH3])F)F 34a_100000732608_200025704644 [1,1,0,0,0,0|2,0,0]=4 3387 B12R1.448 COc1cc(c(cc1N[13CH3])F)F 7a_100000732608_200025704644 [1,1,0,0,0,0|2,0,0]=4 3388 B12R1.448 COc1cc(c(cc1N[13CH3])I)Cl 34a_100011011177_200025704644 [1,1,0,0,0,0|2,0,0]=4 3389 B12R1.448 COc1cc(c(cc1OC)Br)F 34a_100010189133_200000210301 [1,1,0,0,0,0|1,0,0]=3 3390 B12R1.448 COc1cc(c(cc1OC)Br)F 7a_100010189133_200000210301 [1,1,0,0,0,0|1,0,0]=3 3391 B12R1.448 COc1cc(c(cc1OC)F)O 271570a_203496583355_200011765842 [1,1,0,0,0,0|0,0,1]=3 3392 B12R1.448 COc1cc(c(cc1O[13CH3])F)Br 34a_100010189133_200025704644 [1,1,0,0,0,0|1,0,0]=3 3393 B12R1.448 COc1cc(c(cc1O[13CH3])F)Br 7a_100010189133_200025704644 [1,1,0,0,0,0|1,0,0]=3 3394 B12R1.448 COc1cc(c(cc1SC)C)F 62a_100010201977_200000210301 [1,1,0,0,0,0|0,1,1]=4 3395 B12R1.448 COc1cc(c(cc1SC)C)F 62a_200000210301_100010201977 [1,1,0,0,0,0|0,1,1]=4 3396 B12R1.448 COc1cc(c(cc1SC)C)N 62a_100010232211_200000210301 [1,1,0,0,0,0|0,1,1]=4 3397 B12R1.448 COc1cc(c(cc1SC)C)N 62a_200000210301_100010232211 [1,1,0,0,0,0|0,1,1]=4 3398 B12R1.448 COc1cc(c(cc1SC)F)F 62a_100009813744_200000210301 [1,1,0,0,0,0|1,1,0]=4 3399 B12R1.448 COc1cc(c(cc1SC)F)F 62a_200000210301_100009813744 [1,1,0,0,0,0|1,1,0]=4 3400 B12R1.448 COc1cc(c(cc1SC)N)C 62a_106657271712_200000210301 [1,1,0,0,0,0|0,1,1]=4 3401 B12R1.448 COc1cc(c(cc1SC)N)C 62a_200000210301_106657271712 [1,1,0,0,0,0|0,1,1]=4 3402 B12R1.448 COc1cc(c(cc1SC)N)N 62a_100012769537_200000210301 [1,1,0,0,0,0|1,1,0]=4 3403 B12R1.448 COc1cc(c(cc1S[13CH3])C)F 62a_100010201977_200025704644 [1,1,0,0,0,0|0,1,1]=4 3404 B12R1.448 COc1cc(c(cc1S[13CH3])C)F 62a_200025704644_100010201977 [1,1,0,0,0,0|0,1,1]=4 3405 B12R1.448 COc1cc(c(cc1S[13CH3])C)N 62a_100010232211_200025704644 [1,1,0,0,0,0|0,1,1]=4 3406 B12R1.448 COc1cc(c(cc1S[13CH3])C)N 62a_200025704644_100010232211 [1,1,0,0,0,0|0,1,1]=4 3407 B12R1.448 COc1cc(c(cc1S[13CH3])F)F 62a_100009813744_200025704644 [1,1,0,0,0,0|1,1,0]=4 3408 B12R1.448 COc1cc(c(cc1S[13CH3])F)F 62a_200025704644_100009813744 [1,1,0,0,0,0|1,1,0]=4 3409 B12R1.448 COc1cc(c(cc1S[13CH3])N)C 62a_106657271712_200025704644 [1,1,0,0,0,0|0,1,1]=4 3410 B12R1.448 COc1cc(c(cc1S[13CH3])N)C 62a_200025704644_106657271712 [1,1,0,0,0,0|0,1,1]=4 3411 B12R1.448 COc1cc(c(cc1S[13CH3])N)N 62a_100012769537_200025704644 [1,1,0,0,0,0|1,1,0]=4 3412 B12R1.448 COc1cc(c(nc1OC)O)C 271570a_203496583355_200011016175 [1,1,0,0,0,0|1,0,1]=4 3413 B12R1.652 CNc1c(ccc(c1F)F)OC 34a_100000061648_200000210301 [1,1,0,0,0,0|2,0,0]=4 3414 B12R1.652 CNc1ccc(c(c1OC)Br)F 2230a_102516457224_200000210301 [1,1,0,0,0,0|2,0,0]=4 3415 B12R1.652 CNc1ccc(c(c1OC)Br)F 34a_102516457224_200000210301 [1,1,0,0,0,0|2,0,0]=4 3416 B12R1.652 CNc1ccc(c(c1OC)F)Br 2230a_100010734149_200000210301 [1,1,0,0,0,0|2,0,0]=4 3417 B12R1.652 CNc1ccc(c(c1OC)F)Br 34a_100010734149_200000210301 [1,1,0,0,0,0|2,0,0]=4 3418 B12R1.652 CNc1ccc(c(c1OC)F)F 2230a_100011695293_200000210301 [1,1,0,0,0,0|2,0,0]=4 3419 B12R1.652 CNc1ccc(c(c1OC)F)F 34a_100011695293_200000210301 [1,1,0,0,0,0|2,0,0]=4 3420 B12R1.652 COc1c(ccc(c1Br)F)N[13CH3] 2230a_102516457224_200025704644 [1,1,0,0,0,0|2,0,0]=4 3421 B12R1.652 COc1c(ccc(c1Br)F)N[13CH3] 34a_102516457224_200025704644 [1,1,0,0,0,0|2,0,0]=4 3422 B12R1.652 COc1c(ccc(c1F)Br)N[13CH3] 2230a_100010734149_200025704644 [1,1,0,0,0,0|2,0,0]=4 3423 B12R1.652 COc1c(ccc(c1F)Br)N[13CH3] 34a_100010734149_200025704644 [1,1,0,0,0,0|2,0,0]=4 3424 B12R1.652 COc1c(ccc(c1F)C)SC 62a_100010081143_200000210301 [1,1,0,0,0,0|0,1,1]=4 3425 B12R1.652 COc1c(ccc(c1F)C)SC 62a_200000210301_100010081143 [1,1,0,0,0,0|0,1,1]=4 3426 B12R1.652 COc1c(ccc(c1F)C)S[13CH3] 62a_100010081143_200025704644 [1,1,0,0,0,0|0,1,1]=4 3427 B12R1.652 COc1c(ccc(c1F)C)S[13CH3] 62a_200025704644_100010081143 [1,1,0,0,0,0|0,1,1]=4 3428 B12R1.652 COc1c(ccc(c1F)F)N[13CH3] 2230a_100011695293_200025704644 [1,1,0,0,0,0|2,0,0]=4 3429 B12R1.652 COc1c(ccc(c1F)F)N[13CH3] 34a_100011695293_200025704644 [1,1,0,0,0,0|2,0,0]=4 3430 B12R1.652 COc1c(ccc(c1F)F)SC 62a_100010223324_200000210301 [1,1,0,0,0,0|1,1,0]=4 3431 B12R1.652 COc1c(ccc(c1F)F)SC 62a_200000210301_100010223324 [1,1,0,0,0,0|1,1,0]=4 3432 B12R1.652 COc1c(ccc(c1F)F)S[13CH3] 62a_100010223324_200025704644 [1,1,0,0,0,0|1,1,0]=4 3433 B12R1.652 COc1c(ccc(c1F)F)S[13CH3] 62a_200025704644_100010223324 [1,1,0,0,0,0|1,1,0]=4 3434 B12R1.652 COc1c(ccc(c1O)F)SC 62a_200000210301_200010167157 [1,1,0,0,0,0|1,1,0]=4 3435 B12R1.652 COc1c(ccc(c1O)F)S[13CH3] 62a_200025704644_200010167157 [1,1,0,0,0,0|1,1,0]=4 3436 B12R1.652 COc1ccc(c(c1N[13CH3])F)F 34a_100000061648_200025704644 [1,1,0,0,0,0|2,0,0]=4 3437 B12R1.652 COc1ccc(c(c1OC)C)O 271570a_203496583355_100010000156 [1,1,0,0,0,0|0,0,1]=3 3438 B12R1.652 COc1ccc(c(c1OC)F)F 34a_100000062125_200000210301 [1,1,0,0,0,0|1,0,0]=3 3439 B12R1.652 COc1ccc(c(c1OC)F)F 7a_100000062125_200000210301 [1,1,0,0,0,0|1,0,0]=3 3440 B12R1.652 COc1ccc(c(c1O[13CH3])F)F 34a_100000062125_200025704644 [1,1,0,0,0,0|1,0,0]=3 3441 B12R1.652 COc1ccc(c(c1O[13CH3])F)F 7a_100000062125_200025704644 [1,1,0,0,0,0|1,0,0]=3 3442 B12R1.652 COc1ccc(c(c1SC)F)F 62a_100010204329_200000210301 [1,1,0,0,0,0|1,1,0]=4 3443 B12R1.652 COc1ccc(c(c1SC)F)F 62a_200000210301_100010204329 [1,1,0,0,0,0|1,1,0]=4 3444 B12R1.652 COc1ccc(c(c1S[13CH3])F)F 62a_100010204329_200025704644 [1,1,0,0,0,0|1,1,0]=4 3445 B12R1.652 COc1ccc(c(c1S[13CH3])F)F 62a_200025704644_100010204329 [1,1,0,0,0,0|1,1,0]=4 3446 B12R1.48 C#Cc1ccc(cc1C)C(=O)C 1458a_100013243528_200000210301 [1,1,0,0,0,0|1,0,1]=4 3447 B12R1.48 C#Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100013243528_200025704644 [1,1,0,0,0,0|1,0,1]=4 3448 B12R1.48 C=C(C)c1cc(c(cn1)OC)O 271570a_100000694244_100010264082 [1,1,0,0,0,0|2,0,0]=4 3449 B12R1.48 C=C(C)c1ccc(c(c1)Br)OC 271570a_100000694244_100011249507 [1,1,0,0,0,0|2,0,0]=4 3450 B12R1.48 C=C(C)c1ccc(c(c1)C)NC 271570a_100000694244_100000221803 [1,1,0,0,0,0|2,0,0]=4 3451 B12R1.48 C=C(C)c1ccc(c(c1)C)OC 271570a_100000694244_100011219705 [1,1,0,0,0,0|1,0,0]=3 3452 B12R1.48 C=C(C)c1ccc(c(c1)Cl)OC 271570a_100000694244_100012355395 [1,1,0,0,0,0|2,0,0]=4 3453 B12R1.48 C=C(C)c1ccc(c(c1)F)OC 271570a_100000694244_100000185480 [1,1,0,0,0,0|2,0,0]=4 3454 B12R1.48 C=C(C)c1ccc(c(c1)N)OC 271570a_100000694244_100000743470 [1,1,0,0,0,0|2,0,0]=4 3455 B12R1.48 C=C(C)c1ccc(c(c1)O)OC 271570a_100000694244_100009816560 [1,1,0,0,0,0|1,0,0]=3 3456 B12R1.48 C=C(C)c1ccc(c(n1)C)OC 271570a_100000694244_100010244750 [1,1,0,0,0,0|2,0,0]=4 3457 B12R1.48 C=C(C)c1cnc(c(c1)C)OC 271570a_100000694244_100011290809 [1,1,0,0,0,0|2,0,0]=4 3458 B12R1.48 C=C(C)c1cnc(c(c1)O)OC 271570a_100000694244_100010135713 [1,1,0,0,0,0|2,0,0]=4 3459 B12R1.48 C=Cc1ccc(cc1C)C(=O)C 271570a_100011290941_100000697869 [1,1,0,0,0,0|1,0,1]=4 3460 B12R1.48 C=Cc1ccc(cc1C)C(=O)N 271570a_100011290941_100011218126 [1,1,0,0,0,0|1,0,1]=4 3461 B12R1.48 C=Cc1ccc(cc1O)C(=O)N 271570a_100011290941_100012344895 [1,1,0,0,0,0|1,0,1]=4 3462 B12R1.48 CC(=O)c1cc(c(cn1)S[13CH3])C 62a_100011011822_200025704644 [1,1,0,0,0,0|1,1,0]=4 3463 B12R1.48 CC(=O)c1cc(c(cn1)S[13CH3])C 62a_200025704644_100011011822 [1,1,0,0,0,0|1,1,0]=4 3464 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 34a_100011772453_200025704644 [1,1,0,0,0,0|1,0,0]=3 3465 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100011772453_200025704644 [1,1,0,0,0,0|1,0,0]=3 3466 B12R1.48 CC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_100010146554_200025704644 [1,1,0,0,0,0|1,1,0]=4 3467 B12R1.48 CC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100010146554 [1,1,0,0,0,0|1,1,0]=4 3468 B12R1.48 CC(=O)c1ccc(c(c1)C)C#N 1458a_100012180287_200000210301 [1,1,0,0,0,0|2,0,0]=4 3469 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 34a_100000188726_200025704644 [1,1,0,0,0,0|0,0,0]=2 3470 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 7a_100000188726_200025704644 [1,1,0,0,0,0|0,0,0]=2 3471 B12R1.48 CC(=O)c1ccc(c(c1)C)S[13CH3] 62a_100000697869_200025704644 [1,1,0,0,0,0|0,1,0]=3 3472 B12R1.48 CC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_100000697869 [1,1,0,0,0,0|0,1,0]=3 3473 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100000188625_200025704644 [1,1,0,0,0,0|1,0,0]=3 3474 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100000188625_200025704644 [1,1,0,0,0,0|1,0,0]=3 3475 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000751691_200025704644 [1,1,0,0,0,0|1,0,0]=3 3476 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000751691_200025704644 [1,1,0,0,0,0|1,0,0]=3 3477 B12R1.48 CC(=O)c1ccc(c(c1)F)S[13CH3] 62a_100000690002_200025704644 [1,1,0,0,0,0|1,1,0]=4 3478 B12R1.48 CC(=O)c1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000690002 [1,1,0,0,0,0|1,1,0]=4 3479 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000117292_200025704644 [1,1,0,0,0,0|1,0,0]=3 3480 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000117292_200025704644 [1,1,0,0,0,0|1,0,0]=3 3481 B12R1.48 CC(=O)c1ccc(c(c1)N)S[13CH3] 62a_100009816534_200025704644 [1,1,0,0,0,0|1,1,0]=4 3482 B12R1.48 CC(=O)c1cnc(c(c1)C)S[13CH3] 62a_100009864263_200025704644 [1,1,0,0,0,0|1,1,0]=4 3483 B12R1.48 CC(=O)c1cnc(c(c1)C)S[13CH3] 62a_200025704644_100009864263 [1,1,0,0,0,0|1,1,0]=4 3484 B12R1.48 CCc1ccc(cc1Br)C(=O)C 1458a_100012340589_200000210301 [1,1,0,0,0,0|2,0,0]=4 3485 B12R1.48 CCc1ccc(cc1Br)C(=O)[13CH3] 1458a_100012340589_200025704644 [1,1,0,0,0,0|2,0,0]=4 3486 B12R1.48 CCc1ccc(cc1O)C(=O)C 1458a_100000089006_200000210301 [1,1,0,0,0,0|1,0,0]=3 3487 B12R1.48 CCc1ccc(cc1O)C(=O)[13CH3] 1458a_100000089006_200025704644 [1,1,0,0,0,0|1,0,0]=3 3488 B12R1.48 CNc1ccc(cc1Br)C(=O)N 27a_100102657272_100009814583 [1,1,0,0,0,0|2,0,0]=4 3489 B12R1.48 CNc1ccc(cc1C)C(=O)N 27a_100102657272_100011218126 [1,1,0,0,0,0|1,0,0]=3 3490 B12R1.48 CNc1ccc(cc1C)C(=O)N 34a_100000746439_200000210301 [1,1,0,0,0,0|1,0,0]=3 3491 B12R1.48 CNc1ccc(cc1C)C(=O)N 7a_100000746439_200000210301 [1,1,0,0,0,0|1,0,0]=3 3492 B12R1.48 CNc1ccc(cc1C)[N+](=O)[O-] 2230a_100000184110_200000210301 [1,1,0,0,0,0|2,0,0]=4 3493 B12R1.48 CNc1ccc(cc1C)[N+](=O)[O-] 34a_100000184110_200000210301 [1,1,0,0,0,0|2,0,0]=4 3494 B12R1.48 CNc1ccc(cc1C)[N+](=O)[O-] 7a_100000184110_200000210301 [1,1,0,0,0,0|2,0,0]=4 3495 B12R1.48 CNc1ccc(cc1F)C(=O)N 27a_100102657272_100000686215 [1,1,0,0,0,0|2,0,0]=4 3496 B12R1.48 CNc1ncc(cc1C)C(=O)C 27a_100102657272_100009864263 [1,1,0,0,0,0|2,0,0]=4 3497 B12R1.48 COc1ccc(cc1Br)C(=O)C 1458a_100000187947_200000210301 [1,1,0,0,0,0|1,0,0]=3 3498 B12R1.48 COc1ccc(cc1Br)C(=O)C 34a_100011772453_200000210301 [1,1,0,0,0,0|1,0,0]=3 3499 B12R1.48 COc1ccc(cc1Br)C(=O)C 7a_100011772453_200000210301 [1,1,0,0,0,0|1,0,0]=3 3500 B12R1.48 COc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000187947_200025704644 [1,1,0,0,0,0|1,0,0]=3 3501 B12R1.48 COc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_200000210301 [1,1,0,0,0,0|2,0,0]=4 3502 B12R1.48 COc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_200000210301 [1,1,0,0,0,0|2,0,0]=4 3503 B12R1.48 COc1ccc(cc1C)C(=O)C 1458a_100011202886_200000210301 [1,1,0,0,0,0|0,0,0]=2 3504 B12R1.48 COc1ccc(cc1C)C(=O)C 34a_100000188726_200000210301 [1,1,0,0,0,0|0,0,0]=2 3505 B12R1.48 COc1ccc(cc1C)C(=O)C 7a_100000188726_200000210301 [1,1,0,0,0,0|0,0,0]=2 3506 B12R1.48 COc1ccc(cc1C)C(=O)[13CH3] 1458a_100011202886_200025704644 [1,1,0,0,0,0|0,0,0]=2 3507 B12R1.48 COc1ccc(cc1C)C(C)C 34a_200012180908_200000210301 [1,1,0,0,0,0|1,0,1]=4 3508 B12R1.48 COc1ccc(cc1C)C(C)C 7a_200012180908_200000210301 [1,1,0,0,0,0|1,0,1]=4 3509 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_200000210301 [1,1,0,0,0,0|1,0,0]=3 3510 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_200000210301 [1,1,0,0,0,0|1,0,0]=3 3511 B12R1.48 COc1ccc(cc1Cl)C(=O)C 1458a_100000188346_200000210301 [1,1,0,0,0,0|1,0,0]=3 3512 B12R1.48 COc1ccc(cc1Cl)C(=O)C 34a_100000188625_200000210301 [1,1,0,0,0,0|1,0,0]=3 3513 B12R1.48 COc1ccc(cc1Cl)C(=O)C 7a_100000188625_200000210301 [1,1,0,0,0,0|1,0,0]=3 3514 B12R1.48 COc1ccc(cc1Cl)C(=O)N 34a_200000192832_200000210301 [1,1,0,0,0,0|1,0,0]=3 3515 B12R1.48 COc1ccc(cc1Cl)C(=O)N 7a_200000192832_200000210301 [1,1,0,0,0,0|1,0,0]=3 3516 B12R1.48 COc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000188346_200025704644 [1,1,0,0,0,0|1,0,0]=3 3517 B12R1.48 COc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_200000210301 [1,1,0,0,0,0|2,0,0]=4 3518 B12R1.48 COc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_200000210301 [1,1,0,0,0,0|2,0,0]=4 3519 B12R1.48 COc1ccc(cc1F)C(=O)C 1458a_100000186160_200000210301 [1,1,0,0,0,0|1,0,0]=3 3520 B12R1.48 COc1ccc(cc1F)C(=O)C 34a_100000751691_200000210301 [1,1,0,0,0,0|1,0,0]=3 3521 B12R1.48 COc1ccc(cc1F)C(=O)C 7a_100000751691_200000210301 [1,1,0,0,0,0|1,0,0]=3 3522 B12R1.48 COc1ccc(cc1F)C(=O)[13CH3] 1458a_100000186160_200025704644 [1,1,0,0,0,0|1,0,0]=3 3523 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_200000210301 [1,1,0,0,0,0|2,0,0]=4 3524 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_200000210301 [1,1,0,0,0,0|2,0,0]=4 3525 B12R1.48 COc1ccc(cc1I)C(=O)C 1458a_100000188716_200000210301 [1,1,0,0,0,0|1,0,0]=3 3526 B12R1.48 COc1ccc(cc1I)C(=O)[13CH3] 1458a_100000188716_200025704644 [1,1,0,0,0,0|1,0,0]=3 3527 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_200000210301 [1,1,0,0,0,0|2,0,0]=4 3528 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_200000210301 [1,1,0,0,0,0|2,0,0]=4 3529 B12R1.48 COc1ccc(cc1N)C(=O)C 34a_100000117292_200000210301 [1,1,0,0,0,0|1,0,0]=3 3530 B12R1.48 COc1ccc(cc1N)C(=O)C 7a_100000117292_200000210301 [1,1,0,0,0,0|1,0,0]=3 3531 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_200000210301 [1,1,0,0,0,0|2,0,0]=4 3532 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_200000210301 [1,1,0,0,0,0|2,0,0]=4 3533 B12R1.48 COc1ccc(cc1O)C(=O)C 1458a_100000766810_200000210301 [1,1,0,0,0,0|0,0,0]=2 3534 B12R1.48 COc1ccc(cc1O)C(=O)C 271570a_203496583355_100000185153 [1,1,0,0,0,0|0,0,0]=2 3535 B12R1.48 COc1ccc(cc1O)C(=O)[13CH3] 1458a_100000766810_200025704644 [1,1,0,0,0,0|0,0,0]=2 3536 B12R1.48 COc1ccc(cc1O)C(C)O 271570a_203496583355_100000246541 [1,1,0,0,0,0|0,0,2]=4 3537 B12R1.48 COc1ccc(nc1C)[N+](=O)[O-] 7a_100009862445_200000210301 [1,1,0,0,0,0|2,0,0]=4 3538 B12R1.48 COc1cnc(cc1C)[N+](=O)[O-] 7a_100015695027_200000210301 [1,1,0,0,0,0|2,0,0]=4 3539 B12R1.48 CSc1ccc(cc1Br)C(=O)C 62a_100010146554_200000210301 [1,1,0,0,0,0|1,1,0]=4 3540 B12R1.48 CSc1ccc(cc1Br)C(=O)C 62a_200000210301_100010146554 [1,1,0,0,0,0|1,1,0]=4 3541 B12R1.48 CSc1ccc(cc1Br)C(=O)N 62a_100009814583_200000210301 [1,1,0,0,0,0|1,1,0]=4 3542 B12R1.48 CSc1ccc(cc1Br)C(=O)N 62a_200000210301_100009814583 [1,1,0,0,0,0|1,1,0]=4 3543 B12R1.48 CSc1ccc(cc1C)C(=O)C 62a_100000697869_200000210301 [1,1,0,0,0,0|0,1,0]=3 3544 B12R1.48 CSc1ccc(cc1C)C(=O)C 62a_200000210301_100000697869 [1,1,0,0,0,0|0,1,0]=3 3545 B12R1.48 CSc1ccc(cc1C)C(=O)N 62a_100011218126_200000210301 [1,1,0,0,0,0|0,1,0]=3 3546 B12R1.48 CSc1ccc(cc1C)C(=O)N 62a_200000210301_100011218126 [1,1,0,0,0,0|0,1,0]=3 3547 B12R1.48 CSc1ccc(cc1F)C(=O)C 62a_100000690002_200000210301 [1,1,0,0,0,0|1,1,0]=4 3548 B12R1.48 CSc1ccc(cc1F)C(=O)C 62a_200000210301_100000690002 [1,1,0,0,0,0|1,1,0]=4 3549 B12R1.48 CSc1ccc(cc1F)C(=O)N 62a_100000686215_200000210301 [1,1,0,0,0,0|1,1,0]=4 3550 B12R1.48 CSc1ccc(cc1F)C(=O)N 62a_200000210301_100000686215 [1,1,0,0,0,0|1,1,0]=4 3551 B12R1.48 CSc1ccc(cc1N)C(=O)C 62a_100009816534_200000210301 [1,1,0,0,0,0|1,1,0]=4 3552 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_100012344895_200000210301 [1,1,0,0,0,0|0,1,0]=3 3553 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_200000210301_100012344895 [1,1,0,0,0,0|0,1,0]=3 3554 B12R1.48 CSc1cnc(cc1C)C(=O)C 62a_100011011822_200000210301 [1,1,0,0,0,0|1,1,0]=4 3555 B12R1.48 CSc1cnc(cc1C)C(=O)C 62a_200000210301_100011011822 [1,1,0,0,0,0|1,1,0]=4 3556 B12R1.48 CSc1ncc(cc1C)C(=O)C 62a_100009864263_200000210301 [1,1,0,0,0,0|1,1,0]=4 3557 B12R1.48 CSc1ncc(cc1C)C(=O)C 62a_200000210301_100009864263 [1,1,0,0,0,0|1,1,0]=4 3558 B12R1.48 Cc1cc(ccc1C#N)C(=O)[13CH3] 1458a_100012180287_200025704644 [1,1,0,0,0,0|2,0,0]=4 3559 B12R1.48 Cc1cc(ccc1N[13CH3])C(=O)N 34a_100000746439_200025704644 [1,1,0,0,0,0|1,0,0]=3 3560 B12R1.48 Cc1cc(ccc1N[13CH3])C(=O)N 7a_100000746439_200025704644 [1,1,0,0,0,0|1,0,0]=3 3561 B12R1.48 Cc1cc(ccc1N[13CH3])[N+](=O)[O-] 2230a_100000184110_200025704644 [1,1,0,0,0,0|2,0,0]=4 3562 B12R1.48 Cc1cc(ccc1N[13CH3])[N+](=O)[O-] 34a_100000184110_200025704644 [1,1,0,0,0,0|2,0,0]=4 3563 B12R1.48 Cc1cc(ccc1N[13CH3])[N+](=O)[O-] 7a_100000184110_200025704644 [1,1,0,0,0,0|2,0,0]=4 3564 B12R1.48 Cc1cc(ccc1O[13CH3])C(C)C 34a_200012180908_200025704644 [1,1,0,0,0,0|1,0,1]=4 3565 B12R1.48 Cc1cc(ccc1O[13CH3])C(C)C 7a_200012180908_200025704644 [1,1,0,0,0,0|1,0,1]=4 3566 B12R1.48 Cc1cc(ccc1O[13CH3])[N+](=O)[O-] 34a_100000744956_200025704644 [1,1,0,0,0,0|1,0,0]=3 3567 B12R1.48 Cc1cc(ccc1O[13CH3])[N+](=O)[O-] 7a_100000744956_200025704644 [1,1,0,0,0,0|1,0,0]=3 3568 B12R1.48 Cc1cc(ccc1S[13CH3])C(=O)N 62a_100011218126_200025704644 [1,1,0,0,0,0|0,1,0]=3 3569 B12R1.48 Cc1cc(ccc1S[13CH3])C(=O)N 62a_200025704644_100011218126 [1,1,0,0,0,0|0,1,0]=3 3570 B12R1.48 Cc1cc(ncc1O[13CH3])[N+](=O)[O-] 7a_100015695027_200025704644 [1,1,0,0,0,0|2,0,0]=4 3571 B12R1.48 Cc1nc(ccc1O[13CH3])[N+](=O)[O-] 7a_100009862445_200025704644 [1,1,0,0,0,0|2,0,0]=4 3572 B12R1.48 [13CH3]Oc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_200025704644 [1,1,0,0,0,0|2,0,0]=4 3573 B12R1.48 [13CH3]Oc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_200025704644 [1,1,0,0,0,0|2,0,0]=4 3574 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 34a_200000192832_200025704644 [1,1,0,0,0,0|1,0,0]=3 3575 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 7a_200000192832_200025704644 [1,1,0,0,0,0|1,0,0]=3 3576 B12R1.48 [13CH3]Oc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_200025704644 [1,1,0,0,0,0|2,0,0]=4 3577 B12R1.48 [13CH3]Oc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_200025704644 [1,1,0,0,0,0|2,0,0]=4 3578 B12R1.48 [13CH3]Oc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_200025704644 [1,1,0,0,0,0|2,0,0]=4 3579 B12R1.48 [13CH3]Oc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_200025704644 [1,1,0,0,0,0|2,0,0]=4 3580 B12R1.48 [13CH3]Oc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_200025704644 [1,1,0,0,0,0|2,0,0]=4 3581 B12R1.48 [13CH3]Oc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_200025704644 [1,1,0,0,0,0|2,0,0]=4 3582 B12R1.48 [13CH3]Oc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_200025704644 [1,1,0,0,0,0|2,0,0]=4 3583 B12R1.48 [13CH3]Oc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_200025704644 [1,1,0,0,0,0|2,0,0]=4 3584 B12R1.48 [13CH3]Sc1ccc(cc1Br)C(=O)N 62a_100009814583_200025704644 [1,1,0,0,0,0|1,1,0]=4 3585 B12R1.48 [13CH3]Sc1ccc(cc1Br)C(=O)N 62a_200025704644_100009814583 [1,1,0,0,0,0|1,1,0]=4 3586 B12R1.48 [13CH3]Sc1ccc(cc1F)C(=O)N 62a_100000686215_200025704644 [1,1,0,0,0,0|1,1,0]=4 3587 B12R1.48 [13CH3]Sc1ccc(cc1F)C(=O)N 62a_200025704644_100000686215 [1,1,0,0,0,0|1,1,0]=4 3588 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_100012344895_200025704644 [1,1,0,0,0,0|0,1,0]=3 3589 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_200025704644_100012344895 [1,1,0,0,0,0|0,1,0]=3 3590 B12R1.114 C=C=Cc1ccc(cc1C)C=O 271570a_100015277604_100000765772 [1,1,0,0,0,0|1,0,1]=4 3591 B12R1.114 C=C=Cc1ccc(cc1O)C=O 271570a_100015277604_100000041418 [1,1,0,0,0,0|1,0,1]=4 3592 B12R1.114 C=Cc1ccc(c(c1)C)OCC 271570a_100011290941_100011308936 [1,1,0,0,0,0|1,0,0]=3 3593 B12R1.114 C=Cc1ccc(c(c1)F)OCC 271570a_100011290941_200000171753 [1,1,0,0,0,0|2,0,0]=4 3594 B12R1.114 C=Cc1ccc(c(c1)N)COC 271570a_100011290941_100013084866 [1,1,0,0,0,0|2,0,0]=4 3595 B12R1.114 C=Cc1ccc(c(c1)N)OCC 271570a_100011290941_100000751366 [1,1,0,0,0,0|2,0,0]=4 3596 B12R1.114 C=Cc1cnc(c(c1)C)OCC 271570a_100011290941_100012351028 [1,1,0,0,0,0|2,0,0]=4 3597 B12R1.114 CC=Cc1ccc(cc1C)C=O 271570a_100016259895_100000765772 [1,1,0,0,0,0|1,0,0]=3 3598 B12R1.114 CC=Cc1ccc(cc1F)C=O 271570a_100016259895_100000686674 [1,1,0,0,0,0|2,0,0]=4 3599 B12R1.114 CC=Cc1ccc(cc1O)C=O 271570a_100016259895_100000041418 [1,1,0,0,0,0|1,0,0]=3 3600 B12R1.114 CC=Cc1ccc(nc1C)C=O 271570a_100016259895_100010238520 [1,1,0,0,0,0|2,0,0]=4 3601 B12R1.114 CC=Cc1cnc(cc1C)C=O 271570a_100016259895_100009814806 [1,1,0,0,0,0|2,0,0]=4 3602 B12R1.114 CC=Cc1ncc(cc1C)C=O 271570a_100016259895_100000070293 [1,1,0,0,0,0|2,0,0]=4 3603 B12R1.114 CCOc1ccc(cc1C)C#N 34a_100000749339_100000210202 [1,1,0,0,0,0|1,0,1]=4 3604 B12R1.114 CCOc1ccc(cc1C)C#N 7a_100000749339_100000210202 [1,1,0,0,0,0|1,0,1]=4 3605 B12R1.114 CCOc1ccc(cc1C)CO 34a_100000075815_100000210202 [1,1,0,0,0,0|0,0,2]=4 3606 B12R1.114 CCOc1ccc(cc1C)CO 7a_100000075815_100000210202 [1,1,0,0,0,0|0,0,2]=4 3607 B12R1.114 CCOc1ccc(cc1C)OC 34a_100012002223_100000210202 [1,1,0,0,0,0|2,0,0]=4 3608 B12R1.114 CCOc1ccc(cc1C)OC 7a_100012002223_100000210202 [1,1,0,0,0,0|2,0,0]=4 3609 B12R1.114 CCOc1ccc(cc1C)SC 62a_100011308936_200000210301 [1,1,0,0,0,0|2,0,0]=4 3610 B12R1.114 CCOc1ccc(cc1C)SC 62a_200000210301_100011308936 [1,1,0,0,0,0|2,0,0]=4 3611 B12R1.114 CCOc1ccc(cc1C)S[13CH3] 62a_100011308936_200025704644 [1,1,0,0,0,0|2,0,0]=4 3612 B12R1.114 CCOc1ccc(cc1C)S[13CH3] 62a_200025704644_100011308936 [1,1,0,0,0,0|2,0,0]=4 3613 B12R1.114 CCOc1ccc(cc1O)C#N 271570a_203496583355_100000189309 [1,1,0,0,0,0|1,0,1]=4 3614 B12R1.114 CCOc1ccc(cc1O)C=O 271570a_203496583355_100000173028 [1,1,0,0,0,0|0,0,0]=2 3615 B12R1.114 CCOc1ccc(cc1O)CO 271570a_203496583355_200011800839 [1,1,0,0,0,0|0,0,2]=4 3616 B12R1.114 CCSc1ccc(cc1C)C=O 62a_100000210202_100000765772 [1,1,0,0,0,0|0,1,0]=3 3617 B12R1.114 CCSc1ccc(cc1C)C=O 62a_100000765772_100000210202 [1,1,0,0,0,0|0,1,0]=3 3618 B12R1.114 CCSc1ccc(cc1F)C=O 62a_100000210202_100000686674 [1,1,0,0,0,0|1,1,0]=4 3619 B12R1.114 CCSc1ccc(cc1F)C=O 62a_100000686674_100000210202 [1,1,0,0,0,0|1,1,0]=4 3620 B12R1.114 CCSc1ccc(cc1O)C=O 62a_100000041418_100000210202 [1,1,0,0,0,0|0,1,0]=3 3621 B12R1.114 CCSc1ccc(cc1O)C=O 62a_100000210202_100000041418 [1,1,0,0,0,0|0,1,0]=3 3622 B12R1.114 CCSc1ccc(nc1C)C=O 62a_100000210202_100010238520 [1,1,0,0,0,0|1,1,0]=4 3623 B12R1.114 CCSc1ccc(nc1C)C=O 62a_100010238520_100000210202 [1,1,0,0,0,0|1,1,0]=4 3624 B12R1.114 CCSc1cnc(cc1C)C=O 62a_100000210202_100009814806 [1,1,0,0,0,0|1,1,0]=4 3625 B12R1.114 CCSc1cnc(cc1C)C=O 62a_100009814806_100000210202 [1,1,0,0,0,0|1,1,0]=4 3626 B12R1.114 CCSc1ncc(cc1C)C=O 62a_100000070293_100000210202 [1,1,0,0,0,0|1,1,0]=4 3627 B12R1.114 CCSc1ncc(cc1C)C=O 62a_100000210202_100000070293 [1,1,0,0,0,0|1,1,0]=4 3628 B12R1.114 COc1ccc(c(c1)C)OCF 34a_100012002223_100015361967 [1,1,0,0,0,0|2,0,0]=4 3629 B12R1.114 COc1ccc(c(c1)C)OCF 7a_100012002223_100015361967 [1,1,0,0,0,0|2,0,0]=4 3630 B12R1.114 Cc1cc(ccc1OCF)C#N 34a_100000749339_100015361967 [1,1,0,0,0,0|1,0,1]=4 3631 B12R1.114 Cc1cc(ccc1OCF)C#N 7a_100000749339_100015361967 [1,1,0,0,0,0|1,0,1]=4 3632 B12R1.114 Cc1cc(ccc1OCF)CO 34a_100000075815_100015361967 [1,1,0,0,0,0|0,0,2]=4 3633 B12R1.114 Cc1cc(ccc1OCF)CO 7a_100000075815_100015361967 [1,1,0,0,0,0|0,0,2]=4 3634 B12R1.114 Cc1cc(ccc1SCF)C=O 62a_100000765772_100015361967 [1,1,0,0,0,0|0,1,0]=3 3635 B12R1.114 Cc1cc(ccc1SCF)C=O 62a_100015361967_100000765772 [1,1,0,0,0,0|0,1,0]=3 3636 B12R1.114 Cc1cc(cnc1SCF)C=O 62a_100000070293_100015361967 [1,1,0,0,0,0|1,1,0]=4 3637 B12R1.114 Cc1cc(cnc1SCF)C=O 62a_100015361967_100000070293 [1,1,0,0,0,0|1,1,0]=4 3638 B12R1.114 Cc1cc(ncc1SCF)C=O 62a_100009814806_100015361967 [1,1,0,0,0,0|1,1,0]=4 3639 B12R1.114 Cc1cc(ncc1SCF)C=O 62a_100015361967_100009814806 [1,1,0,0,0,0|1,1,0]=4 3640 B12R1.114 Cc1nc(ccc1SCF)C=O 62a_100010238520_100015361967 [1,1,0,0,0,0|1,1,0]=4 3641 B12R1.114 Cc1nc(ccc1SCF)C=O 62a_100015361967_100010238520 [1,1,0,0,0,0|1,1,0]=4 3642 B12R1.114 O=Cc1ccc(c(c1)F)SCF 62a_100000686674_100015361967 [1,1,0,0,0,0|1,1,0]=4 3643 B12R1.114 O=Cc1ccc(c(c1)F)SCF 62a_100015361967_100000686674 [1,1,0,0,0,0|1,1,0]=4 3644 B12R1.114 O=Cc1ccc(c(c1)O)SCF 62a_100000041418_100015361967 [1,1,0,0,0,0|0,1,0]=3 3645 B12R1.114 O=Cc1ccc(c(c1)O)SCF 62a_100015361967_100000041418 [1,1,0,0,0,0|0,1,0]=3 3646 B12R1.288 C=C=Cc1cc(c(cn1)OC)O 271570a_100015277604_100010264082 [1,1,0,0,0,0|2,0,0]=4 3647 B12R1.288 C=C=Cc1ccc(c(c1)Br)OC 271570a_100015277604_100011249507 [1,1,0,0,0,0|2,0,0]=4 3648 B12R1.288 C=C=Cc1ccc(c(c1)C)NC 271570a_100015277604_100000221803 [1,1,0,0,0,0|2,0,0]=4 3649 B12R1.288 C=C=Cc1ccc(c(c1)C)OC 271570a_100015277604_100011219705 [1,1,0,0,0,0|1,0,0]=3 3650 B12R1.288 C=C=Cc1ccc(c(c1)Cl)OC 271570a_100015277604_100012355395 [1,1,0,0,0,0|2,0,0]=4 3651 B12R1.288 C=C=Cc1ccc(c(c1)F)OC 271570a_100015277604_100000185480 [1,1,0,0,0,0|2,0,0]=4 3652 B12R1.288 C=C=Cc1ccc(c(c1)N)OC 271570a_100015277604_100000743470 [1,1,0,0,0,0|2,0,0]=4 3653 B12R1.288 C=C=Cc1ccc(c(c1)O)OC 271570a_100015277604_100009816560 [1,1,0,0,0,0|1,0,0]=3 3654 B12R1.288 C=C=Cc1ccc(c(n1)C)OC 271570a_100015277604_100010244750 [1,1,0,0,0,0|2,0,0]=4 3655 B12R1.288 C=C=Cc1cnc(c(c1)C)OC 271570a_100015277604_100011290809 [1,1,0,0,0,0|2,0,0]=4 3656 B12R1.288 C=C=Cc1cnc(c(c1)O)OC 271570a_100015277604_100010135713 [1,1,0,0,0,0|2,0,0]=4 3657 B12R1.288 CC=Cc1cc(c(cn1)OC)O 271570a_100016259895_100010264082 [1,1,0,0,0,0|2,0,0]=4 3658 B12R1.288 CC=Cc1ccc(c(c1)Br)OC 271570a_100016259895_100011249507 [1,1,0,0,0,0|2,0,0]=4 3659 B12R1.288 CC=Cc1ccc(c(c1)C)NC 271570a_100016259895_100000221803 [1,1,0,0,0,0|2,0,0]=4 3660 B12R1.288 CC=Cc1ccc(c(c1)C)OC 271570a_100016259895_100011219705 [1,1,0,0,0,0|1,0,0]=3 3661 B12R1.288 CC=Cc1ccc(c(c1)Cl)OC 271570a_100016259895_100012355395 [1,1,0,0,0,0|2,0,0]=4 3662 B12R1.288 CC=Cc1ccc(c(c1)F)OC 271570a_100016259895_100000185480 [1,1,0,0,0,0|2,0,0]=4 3663 B12R1.288 CC=Cc1ccc(c(c1)N)OC 271570a_100016259895_100000743470 [1,1,0,0,0,0|2,0,0]=4 3664 B12R1.288 CC=Cc1ccc(c(c1)O)OC 271570a_100016259895_100009816560 [1,1,0,0,0,0|1,0,0]=3 3665 B12R1.288 CC=Cc1ccc(c(n1)C)OC 271570a_100016259895_100010244750 [1,1,0,0,0,0|2,0,0]=4 3666 B12R1.288 CC=Cc1cnc(c(c1)C)OC 271570a_100016259895_100011290809 [1,1,0,0,0,0|2,0,0]=4 3667 B12R1.288 CC=Cc1cnc(c(c1)O)OC 271570a_100016259895_100010135713 [1,1,0,0,0,0|2,0,0]=4 3668 B12R1.288 CCNc1ccc(c(c1)C)OC 2230a_100000743268_100000210202 [1,1,0,0,0,0|1,0,1]=4 3669 B12R1.288 CCNc1ccc(c(c1)C)OC 34a_100000743268_100000210202 [1,1,0,0,0,0|1,0,1]=4 3670 B12R1.288 CCNc1ccc(c(c1)C)OC 7a_100000743268_100000210202 [1,1,0,0,0,0|1,0,1]=4 3671 B12R1.288 CCNc1ccc(c(c1)O)OC 34a_100000211920_100000210202 [1,1,0,0,0,0|1,0,1]=4 3672 B12R1.288 CCOc1ccc(c(c1)C)OC 34a_100000759738_100000210202 [1,1,0,0,0,0|1,0,1]=4 3673 B12R1.288 CCOc1ccc(c(c1)C)OC 7a_100000759738_100000210202 [1,1,0,0,0,0|1,0,1]=4 3674 B12R1.288 CCSc1ccc(c(c1)C)OC 62a_100000210202_100011219705 [1,1,0,0,0,0|1,0,1]=4 3675 B12R1.288 CCSc1ccc(c(c1)C)OC 62a_100011219705_100000210202 [1,1,0,0,0,0|1,0,1]=4 3676 B12R1.288 CCSc1ccc(c(c1)O)OC 62a_100000210202_100009816560 [1,1,0,0,0,0|1,0,1]=4 3677 B12R1.288 CNCc1ccc(c(c1)C)OC 207a_100102657272_100000239718 [1,1,0,0,0,0|1,0,1]=4 3678 B12R1.288 CNCc1ccc(c(c1)C)OC 2230a_100102679029_200000210301 [1,1,0,0,0,0|1,0,1]=4 3679 B12R1.288 CNCc1ccc(c(c1)C)OC 2230a_106832991635_200011290836 [1,1,0,0,0,0|1,0,1]=4 3680 B12R1.288 CNCc1ccc(c(c1)C)OC 270004a_106832991635_100000239718 [1,1,0,0,0,0|1,0,1]=4 3681 B12R1.288 CNCc1ccc(c(c1)C)OC 34a_100102657272_200011290836 [1,1,0,0,0,0|1,0,1]=4 3682 B12R1.288 CNCc1ccc(c(c1)C)OC 34a_100102679029_200000210301 [1,1,0,0,0,0|1,0,1]=4 3683 B12R1.288 CNCc1ccc(c(c1)C)OC 7a_106832991635_200011290836 [1,1,0,0,0,0|1,0,1]=4 3684 B12R1.288 CNCc1ccc(c(c1)O)OC 34a_100000740000_200000210301 [1,1,0,0,0,0|1,0,1]=4 3685 B12R1.288 COCc1ccc(c(c1)C)OC 34a_100138415774_200011290836 [1,1,0,0,0,0|0,0,2]=4 3686 B12R1.288 COCc1ccc(c(c1)C)OC 34a_200011290855_200000210301 [1,1,0,0,0,0|0,0,2]=4 3687 B12R1.288 COCc1ccc(c(c1)C)OC 7a_200011290855_200000210301 [1,1,0,0,0,0|0,0,2]=4 3688 B12R1.288 COc1ccc(cc1C)CN[13CH3] 2230a_100102679029_200025704644 [1,1,0,0,0,0|1,0,1]=4 3689 B12R1.288 COc1ccc(cc1C)CN[13CH3] 34a_100102679029_200025704644 [1,1,0,0,0,0|1,0,1]=4 3690 B12R1.288 COc1ccc(cc1C)CO[13CH3] 34a_200011290855_200025704644 [1,1,0,0,0,0|0,0,2]=4 3691 B12R1.288 COc1ccc(cc1C)CO[13CH3] 7a_200011290855_200025704644 [1,1,0,0,0,0|0,0,2]=4 3692 B12R1.288 COc1ccc(cc1C)CSC 62a_200000210301_200011290836 [1,1,0,0,0,0|0,1,1]=4 3693 B12R1.288 COc1ccc(cc1C)CSC 62a_200011290836_200000210301 [1,1,0,0,0,0|0,1,1]=4 3694 B12R1.288 COc1ccc(cc1C)CS[13CH3] 62a_200011290836_200025704644 [1,1,0,0,0,0|0,1,1]=4 3695 B12R1.288 COc1ccc(cc1C)CS[13CH3] 62a_200025704644_200011290836 [1,1,0,0,0,0|0,1,1]=4 3696 B12R1.288 COc1ccc(cc1C)NCF 34a_100000743268_100015361967 [1,1,0,0,0,0|1,0,1]=4 3697 B12R1.288 COc1ccc(cc1C)NCF 7a_100000743268_100015361967 [1,1,0,0,0,0|1,0,1]=4 3698 B12R1.288 COc1ccc(cc1C)OCF 34a_100000759738_100015361967 [1,1,0,0,0,0|1,0,1]=4 3699 B12R1.288 COc1ccc(cc1C)OCF 7a_100000759738_100015361967 [1,1,0,0,0,0|1,0,1]=4 3700 B12R1.288 COc1ccc(cc1C)SCF 62a_100011219705_100015361967 [1,1,0,0,0,0|1,0,1]=4 3701 B12R1.288 COc1ccc(cc1C)SCF 62a_100015361967_100011219705 [1,1,0,0,0,0|1,0,1]=4 3702 B12R1.288 COc1ccc(cc1O)CC#N 271570a_203496583355_100011215974 [1,1,0,0,0,0|1,0,1]=4 3703 B12R1.288 COc1ccc(cc1O)CCN 271570a_203496583355_103549771065 [1,1,0,0,0,0|1,0,1]=4 3704 B12R1.288 COc1ccc(cc1O)CCO 271570a_203496583355_100011962876 [1,1,0,0,0,0|0,0,2]=4 3705 B12R1.288 COc1ccc(cc1O)CN[13CH3] 34a_100000740000_200025704644 [1,1,0,0,0,0|1,0,1]=4 3706 B12R1.288 COc1ccc(cc1O)NCF 34a_100000211920_100015361967 [1,1,0,0,0,0|1,0,1]=4 3707 B12R1.288 COc1ccc(cc1O)SCF 62a_100015361967_100009816560 [1,1,0,0,0,0|1,0,1]=4 3708 B12R1.301 C=Cc1c(cc(cc1C)C=O)C 271570a_100011290941_100000102522 [1,1,0,0,0,0|1,0,1]=4 3709 B12R1.301 C=Cc1cc(c(c(c1)Br)OC)C 271570a_100011290941_100010997178 [1,1,0,0,0,0|1,0,0]=3 3710 B12R1.301 C=Cc1cc(c(c(c1)C)OC)C 271570a_100011290941_100000211903 [1,1,0,0,0,0|1,0,0]=3 3711 B12R1.301 C=Cc1cc(c(c(c1)Cl)OC)Cl 271570a_100011290941_200010110313 [1,1,0,0,0,0|2,0,0]=4 3712 B12R1.301 C=Cc1cc(c(c(c1)F)OC)F 271570a_100011290941_100009813559 [1,1,0,0,0,0|2,0,0]=4 3713 B12R1.301 C=Cc1cc(c(c(c1)F)OC)N 271570a_100011290941_200010245146 [1,1,0,0,0,0|2,0,0]=4 3714 B12R1.301 CNc1cc(c(c(c1)Br)OC)C 34a_100010071304_200000210301 [1,1,0,0,0,0|2,0,0]=4 3715 B12R1.301 CNc1cc(c(c(c1)Br)OC)C 7a_100010071304_200000210301 [1,1,0,0,0,0|2,0,0]=4 3716 B12R1.301 CNc1cc(c(c(c1)C)OC)C 2230a_100000187574_200000210301 [1,1,0,0,0,0|2,0,0]=4 3717 B12R1.301 CNc1cc(c(c(c1)C)OC)C 34a_100000187574_200000210301 [1,1,0,0,0,0|2,0,0]=4 3718 B12R1.301 CNc1cc(c(c(c1)C)OC)C 7a_100000187574_200000210301 [1,1,0,0,0,0|2,0,0]=4 3719 B12R1.301 COc1c(cc(cc1Br)N[13CH3])C 34a_100010071304_200025704644 [1,1,0,0,0,0|2,0,0]=4 3720 B12R1.301 COc1c(cc(cc1Br)N[13CH3])C 7a_100010071304_200025704644 [1,1,0,0,0,0|2,0,0]=4 3721 B12R1.301 COc1c(cc(cc1Br)SC)C 62a_100010997178_200000210301 [1,1,0,0,0,0|2,0,0]=4 3722 B12R1.301 COc1c(cc(cc1Br)SC)C 62a_200000210301_100010997178 [1,1,0,0,0,0|2,0,0]=4 3723 B12R1.301 COc1c(cc(cc1Br)S[13CH3])C 62a_100010997178_200025704644 [1,1,0,0,0,0|2,0,0]=4 3724 B12R1.301 COc1c(cc(cc1Br)S[13CH3])C 62a_200025704644_100010997178 [1,1,0,0,0,0|2,0,0]=4 3725 B12R1.301 COc1c(cc(cc1C)C#N)C 34a_100000189350_200000210301 [1,1,0,0,0,0|1,0,1]=4 3726 B12R1.301 COc1c(cc(cc1C)C#N)C 7a_100000189350_200000210301 [1,1,0,0,0,0|1,0,1]=4 3727 B12R1.301 COc1c(cc(cc1C)CO)C 34a_100000189000_200000210301 [1,1,0,0,0,0|0,0,2]=4 3728 B12R1.301 COc1c(cc(cc1C)CO)C 7a_100000189000_200000210301 [1,1,0,0,0,0|0,0,2]=4 3729 B12R1.301 COc1c(cc(cc1C)N=O)C 34a_100000703954_200000210301 [1,1,0,0,0,0|1,0,0]=3 3730 B12R1.301 COc1c(cc(cc1C)N=O)C 7a_100000703954_200000210301 [1,1,0,0,0,0|1,0,0]=3 3731 B12R1.301 COc1c(cc(cc1C)N[13CH3])C 2230a_100000187574_200025704644 [1,1,0,0,0,0|2,0,0]=4 3732 B12R1.301 COc1c(cc(cc1C)N[13CH3])C 34a_100000187574_200025704644 [1,1,0,0,0,0|2,0,0]=4 3733 B12R1.301 COc1c(cc(cc1C)N[13CH3])C 7a_100000187574_200025704644 [1,1,0,0,0,0|2,0,0]=4 3734 B12R1.301 COc1c(cc(cc1C)O[13CH3])C 34a_100009845414_200025704644 [1,1,0,0,0,0|2,0,0]=4 3735 B12R1.301 COc1c(cc(cc1C)O[13CH3])C 7a_100009845414_200025704644 [1,1,0,0,0,0|2,0,0]=4 3736 B12R1.301 COc1c(cc(cc1C)SC)C 62a_100000211903_200000210301 [1,1,0,0,0,0|2,0,0]=4 3737 B12R1.301 COc1c(cc(cc1C)SC)C 62a_200000210301_100000211903 [1,1,0,0,0,0|2,0,0]=4 3738 B12R1.301 COc1c(cc(cc1C)S[13CH3])C 62a_100000211903_200025704644 [1,1,0,0,0,0|2,0,0]=4 3739 B12R1.301 COc1c(cc(cc1C)S[13CH3])C 62a_200025704644_100000211903 [1,1,0,0,0,0|2,0,0]=4 3740 B12R1.301 COc1c(cc(cc1Cl)C#N)C 34a_200000089643_200000210301 [1,1,0,0,0,0|1,0,1]=4 3741 B12R1.301 COc1c(cc(cc1Cl)C#N)C 7a_200000089643_200000210301 [1,1,0,0,0,0|1,0,1]=4 3742 B12R1.301 COc1c(cc(cc1F)CO)O 271570a_203496583355_100020751559 [1,1,0,0,0,0|0,0,2]=4 3743 B12R1.301 COc1cc(c(c(c1)C)OC)C 34a_100009845414_200000210301 [1,1,0,0,0,0|2,0,0]=4 3744 B12R1.301 COc1cc(c(c(c1)C)OC)C 34a_100010658422_200000210301 [1,1,0,0,0,0|2,0,0]=4 3745 B12R1.301 COc1cc(c(c(c1)C)OC)C 7a_100009845414_200000210301 [1,1,0,0,0,0|2,0,0]=4 3746 B12R1.301 COc1cc(c(c(c1)C)OC)C 7a_100010658422_200000210301 [1,1,0,0,0,0|2,0,0]=4 3747 B12R1.301 COc1cc(c(c(c1)C)O[13CH3])C 34a_100010658422_200025704644 [1,1,0,0,0,0|2,0,0]=4 3748 B12R1.301 COc1cc(c(c(c1)C)O[13CH3])C 7a_100010658422_200025704644 [1,1,0,0,0,0|2,0,0]=4 3749 B12R1.301 COc1cc(c(c(c1)O)OC)N 271570a_203496583355_100010294495 [1,1,0,0,0,0|2,0,0]=4 3750 B12R1.301 COc1cc(c(c(c1)O)OC)O 271570a_203496583355_200020900881 [1,1,0,0,0,0|2,0,0]=4 3751 B12R1.301 CSc1c(cc(cc1C)C=O)C 62a_100012353953_200000210301 [1,1,0,0,0,0|0,1,0]=3 3752 B12R1.301 CSc1c(cc(cc1C)C=O)C 62a_200000210301_100012353953 [1,1,0,0,0,0|0,1,0]=3 3753 B12R1.301 CSc1c(cc(cc1F)C=O)F 62a_100010074712_200000210301 [1,1,0,0,0,0|1,1,0]=4 3754 B12R1.301 CSc1c(cc(cc1F)C=O)F 62a_200000210301_100010074712 [1,1,0,0,0,0|1,1,0]=4 3755 B12R1.301 Cc1cc(cc(c1O[13CH3])C)C#N 34a_100000189350_200025704644 [1,1,0,0,0,0|1,0,1]=4 3756 B12R1.301 Cc1cc(cc(c1O[13CH3])C)C#N 7a_100000189350_200025704644 [1,1,0,0,0,0|1,0,1]=4 3757 B12R1.301 Cc1cc(cc(c1O[13CH3])C)CO 34a_100000189000_200025704644 [1,1,0,0,0,0|0,0,2]=4 3758 B12R1.301 Cc1cc(cc(c1O[13CH3])C)CO 7a_100000189000_200025704644 [1,1,0,0,0,0|0,0,2]=4 3759 B12R1.301 Cc1cc(cc(c1O[13CH3])C)N=O 34a_100000703954_200025704644 [1,1,0,0,0,0|1,0,0]=3 3760 B12R1.301 Cc1cc(cc(c1O[13CH3])C)N=O 7a_100000703954_200025704644 [1,1,0,0,0,0|1,0,0]=3 3761 B12R1.301 Cc1cc(cc(c1O[13CH3])Cl)C#N 34a_200000089643_200025704644 [1,1,0,0,0,0|1,0,1]=4 3762 B12R1.301 Cc1cc(cc(c1O[13CH3])Cl)C#N 7a_200000089643_200025704644 [1,1,0,0,0,0|1,0,1]=4 3763 B12R1.301 Cc1cc(cc(c1S[13CH3])C)C=O 62a_100012353953_200025704644 [1,1,0,0,0,0|0,1,0]=3 3764 B12R1.301 Cc1cc(cc(c1S[13CH3])C)C=O 62a_200025704644_100012353953 [1,1,0,0,0,0|0,1,0]=3 3765 B12R1.301 [13CH3]Sc1c(cc(cc1F)C=O)F 62a_100010074712_200025704644 [1,1,0,0,0,0|1,1,0]=4 3766 B12R1.301 [13CH3]Sc1c(cc(cc1F)C=O)F 62a_200025704644_100010074712 [1,1,0,0,0,0|1,1,0]=4 3767 B12R1.450 C=Cc1cc(c(cc1C)C=O)C 271570a_100011290941_100012024176 [1,1,0,0,0,0|1,0,1]=4 3768 B12R1.450 C=Cc1cc(c(cc1C)C=O)F 271570a_100011290941_100010186291 [1,1,0,0,0,0|1,0,1]=4 3769 B12R1.450 C=Cc1cc(c(cc1C)C=O)O 271570a_100011290941_200010762526 [1,1,0,0,0,0|1,0,1]=4 3770 B12R1.450 C=Cc1cc(c(cc1C)OC)C 271570a_100011290941_100000698960 [1,1,0,0,0,0|1,0,0]=3 3771 B12R1.450 C=Cc1cc(c(cc1C)OC)F 271570a_100011290941_100010074640 [1,1,0,0,0,0|2,0,0]=4 3772 B12R1.450 C=Cc1cc(c(cc1Cl)OC)N 271570a_100011290941_100011011177 [1,1,0,0,0,0|2,0,0]=4 3773 B12R1.450 C=Cc1cc(c(cc1F)OC)F 271570a_100011290941_100009813720 [1,1,0,0,0,0|2,0,0]=4 3774 B12R1.450 C=Cc1cc(c(cc1F)OC)N 271570a_100011290941_100012361397 [1,1,0,0,0,0|2,0,0]=4 3775 B12R1.450 C=Cc1cc(c(cc1N)OC)C 271570a_100011290941_100010244135 [1,1,0,0,0,0|1,0,0]=3 3776 B12R1.450 C=Cc1cc(c(cc1N)OC)F 271570a_100011290941_100010208193 [1,1,0,0,0,0|2,0,0]=4 3777 B12R1.450 C=Cc1cc(c(cc1O)C=O)O 271570a_100011290941_100010888506 [1,1,0,0,0,0|1,0,1]=4 3778 B12R1.450 CNc1cc(c(cc1Br)OC)C 34a_200010584344_200000210301 [1,1,0,0,0,0|2,0,0]=4 3779 B12R1.450 CNc1cc(c(cc1Br)OC)C 7a_200010584344_200000210301 [1,1,0,0,0,0|2,0,0]=4 3780 B12R1.450 COc1cc(c(cc1C)C#N)C 34a_200000077602_200000210301 [1,1,0,0,0,0|1,0,1]=4 3781 B12R1.450 COc1cc(c(cc1C)C#N)C 7a_200000077602_200000210301 [1,1,0,0,0,0|1,0,1]=4 3782 B12R1.450 COc1cc(c(cc1C)N[13CH3])Br 34a_200010584344_200025704644 [1,1,0,0,0,0|2,0,0]=4 3783 B12R1.450 COc1cc(c(cc1C)N[13CH3])Br 7a_200010584344_200025704644 [1,1,0,0,0,0|2,0,0]=4 3784 B12R1.450 COc1cc(c(cc1C)OC)O 271570a_203496583355_100000039368 [1,1,0,0,0,0|2,0,0]=4 3785 B12R1.450 COc1cc(c(cc1C)SC)C 62a_100000698960_200000210301 [1,1,0,0,0,0|2,0,0]=4 3786 B12R1.450 COc1cc(c(cc1C)SC)C 62a_200000210301_100000698960 [1,1,0,0,0,0|2,0,0]=4 3787 B12R1.450 COc1cc(c(cc1C)SC)N 62a_100010244135_200000210301 [1,1,0,0,0,0|2,0,0]=4 3788 B12R1.450 COc1cc(c(cc1C)SC)N 62a_200000210301_100010244135 [1,1,0,0,0,0|2,0,0]=4 3789 B12R1.450 COc1cc(c(cc1C)S[13CH3])C 62a_100000698960_200025704644 [1,1,0,0,0,0|2,0,0]=4 3790 B12R1.450 COc1cc(c(cc1C)S[13CH3])C 62a_200025704644_100000698960 [1,1,0,0,0,0|2,0,0]=4 3791 B12R1.450 COc1cc(c(cc1C)S[13CH3])N 62a_100010244135_200025704644 [1,1,0,0,0,0|2,0,0]=4 3792 B12R1.450 COc1cc(c(cc1C)S[13CH3])N 62a_200025704644_100010244135 [1,1,0,0,0,0|2,0,0]=4 3793 B12R1.450 COc1cc(c(cc1O)C=O)F 271570a_203496583355_100010244998 [1,1,0,0,0,0|0,0,0]=2 3794 B12R1.450 COc1cc(c(cc1O)C=O)O 271570a_203496583355_100000183646 [1,1,0,0,0,0|0,0,0]=2 3795 B12R1.450 COc1cc(c(cc1O)C=O)O 271570a_203496583355_100009998278 [1,1,0,0,0,0|0,0,0]=2 3796 B12R1.450 COc1cc(c(cc1O)OC)Br 271570a_203496583355_100013799044 [1,1,0,0,0,0|2,0,0]=4 3797 B12R1.450 COc1cc(c(cc1O)OC)Cl 271570a_203496583355_100000023288 [1,1,0,0,0,0|2,0,0]=4 3798 B12R1.450 COc1cc(c(cc1O)OC)O 271570a_203496583355_100009816818 [1,1,0,0,0,0|2,0,0]=4 3799 B12R1.450 CSc1cc(c(cc1C)C=O)C 62a_100012024176_200000210301 [1,1,0,0,0,0|0,1,0]=3 3800 B12R1.450 CSc1cc(c(cc1C)C=O)C 62a_200000210301_100012024176 [1,1,0,0,0,0|0,1,0]=3 3801 B12R1.450 CSc1cc(c(cc1C)C=O)F 62a_100010186291_200000210301 [1,1,0,0,0,0|0,1,0]=3 3802 B12R1.450 CSc1cc(c(cc1C)C=O)F 62a_200000210301_100010186291 [1,1,0,0,0,0|0,1,0]=3 3803 B12R1.450 CSc1cc(c(cc1C)C=O)O 62a_200000210301_200010762526 [1,1,0,0,0,0|0,1,0]=3 3804 B12R1.450 CSc1cc(c(cc1C)C=O)O 62a_200010762526_200000210301 [1,1,0,0,0,0|0,1,0]=3 3805 B12R1.450 CSc1cc(c(cc1F)C=O)C 62a_100010186292_200000210301 [1,1,0,0,0,0|1,1,0]=4 3806 B12R1.450 CSc1cc(c(cc1F)C=O)C 62a_200000210301_100010186292 [1,1,0,0,0,0|1,1,0]=4 3807 B12R1.450 CSc1cc(c(cc1F)C=O)F 62a_100011998483_200000210301 [1,1,0,0,0,0|1,1,0]=4 3808 B12R1.450 CSc1cc(c(cc1F)C=O)F 62a_200000210301_100011998483 [1,1,0,0,0,0|1,1,0]=4 3809 B12R1.450 CSc1cc(c(cc1F)C=O)O 62a_200000210301_200010762562 [1,1,0,0,0,0|1,1,0]=4 3810 B12R1.450 CSc1cc(c(cc1F)C=O)O 62a_200010762562_200000210301 [1,1,0,0,0,0|1,1,0]=4 3811 B12R1.450 CSc1cc(c(cc1O)C=O)O 62a_200000210301_100010888506 [1,1,0,0,0,0|0,1,0]=3 3812 B12R1.450 Cc1cc(c(cc1C#N)C)O[13CH3] 34a_200000077602_200025704644 [1,1,0,0,0,0|1,0,1]=4 3813 B12R1.450 Cc1cc(c(cc1C#N)C)O[13CH3] 7a_200000077602_200025704644 [1,1,0,0,0,0|1,0,1]=4 3814 B12R1.450 Cc1cc(c(cc1C=O)C)S[13CH3] 62a_100012024176_200025704644 [1,1,0,0,0,0|0,1,0]=3 3815 B12R1.450 Cc1cc(c(cc1C=O)C)S[13CH3] 62a_200025704644_100012024176 [1,1,0,0,0,0|0,1,0]=3 3816 B12R1.450 Cc1cc(c(cc1C=O)F)S[13CH3] 62a_100010186292_200025704644 [1,1,0,0,0,0|1,1,0]=4 3817 B12R1.450 Cc1cc(c(cc1C=O)F)S[13CH3] 62a_200025704644_100010186292 [1,1,0,0,0,0|1,1,0]=4 3818 B12R1.450 Cc1cc(c(cc1S[13CH3])F)C=O 62a_100010186291_200025704644 [1,1,0,0,0,0|0,1,0]=3 3819 B12R1.450 Cc1cc(c(cc1S[13CH3])F)C=O 62a_200025704644_100010186291 [1,1,0,0,0,0|0,1,0]=3 3820 B12R1.450 Cc1cc(c(cc1S[13CH3])O)C=O 62a_200010762526_200025704644 [1,1,0,0,0,0|0,1,0]=3 3821 B12R1.450 Cc1cc(c(cc1S[13CH3])O)C=O 62a_200025704644_200010762526 [1,1,0,0,0,0|0,1,0]=3 3822 B12R1.450 [13CH3]Sc1cc(c(cc1F)C=O)F 62a_100011998483_200025704644 [1,1,0,0,0,0|1,1,0]=4 3823 B12R1.450 [13CH3]Sc1cc(c(cc1F)C=O)F 62a_200025704644_100011998483 [1,1,0,0,0,0|1,1,0]=4 3824 B12R1.450 [13CH3]Sc1cc(c(cc1F)C=O)O 62a_200010762562_200025704644 [1,1,0,0,0,0|1,1,0]=4 3825 B12R1.450 [13CH3]Sc1cc(c(cc1F)C=O)O 62a_200025704644_200010762562 [1,1,0,0,0,0|1,1,0]=4 3826 B12R1.450 [13CH3]Sc1cc(c(cc1O)C=O)O 62a_200025704644_100010888506 [1,1,0,0,0,0|0,1,0]=3 3827 B12R1.452 C=C(C)c1ccc(cc1C)C=O 271570a_100000694244_100000765772 [1,1,0,0,0,0|1,0,0]=3 3828 B12R1.452 C=C(C)c1ccc(cc1F)C=O 271570a_100000694244_100000686674 [1,1,0,0,0,0|2,0,0]=4 3829 B12R1.452 C=C(C)c1ccc(cc1O)C=O 271570a_100000694244_100000041418 [1,1,0,0,0,0|1,0,0]=3 3830 B12R1.452 C=C(C)c1ccc(nc1C)C=O 271570a_100000694244_100010238520 [1,1,0,0,0,0|2,0,0]=4 3831 B12R1.452 C=C(C)c1cnc(cc1C)C=O 271570a_100000694244_100009814806 [1,1,0,0,0,0|2,0,0]=4 3832 B12R1.452 C=C(C)c1ncc(cc1C)C=O 271570a_100000694244_100000070293 [1,1,0,0,0,0|2,0,0]=4 3833 B12R1.452 C=Cc1ccc(c(c1)C)C(=O)C 271570a_100011290941_100012360112 [1,1,0,0,0,0|2,0,0]=4 3834 B12R1.452 C=Cc1ccc(c(c1)O)C(=O)C 271570a_100011290941_100000188348 [1,1,0,0,0,0|2,0,0]=4 3835 B12R1.452 CN(C)c1ccc(cc1O)C=O 271570a_203496583355_200011298039 [1,1,0,0,0,0|1,0,0]=3 3836 B12R1.653 C=Cc1ccc(c(c1C)C)OC 271570a_100011290941_100000049725 [1,1,0,0,0,0|1,0,0]=3 3837 B12R1.653 C=Cc1ccc(c(c1C)F)C=O 271570a_100011290941_100015546853 [1,1,0,0,0,0|1,0,1]=4 3838 B12R1.653 C=Cc1ccc(c(c1F)F)OC 271570a_100011290941_100009816879 [1,1,0,0,0,0|2,0,0]=4 3839 B12R1.653 CNc1ccc(c(c1C)C)OC 2230a_100025755787_200000210301 [1,1,0,0,0,0|2,0,0]=4 3840 B12R1.653 CNc1ccc(c(c1C)C)OC 34a_100025755787_200000210301 [1,1,0,0,0,0|2,0,0]=4 3841 B12R1.653 CNc1ccc(c(c1C)C)OC 7a_100025755787_200000210301 [1,1,0,0,0,0|2,0,0]=4 3842 B12R1.653 COc1ccc(c(c1C)C)N[13CH3] 2230a_100025755787_200025704644 [1,1,0,0,0,0|2,0,0]=4 3843 B12R1.653 COc1ccc(c(c1C)C)N[13CH3] 34a_100025755787_200025704644 [1,1,0,0,0,0|2,0,0]=4 3844 B12R1.653 COc1ccc(c(c1C)C)N[13CH3] 7a_100025755787_200025704644 [1,1,0,0,0,0|2,0,0]=4 3845 B12R1.653 COc1ccc(c(c1C)C)SC 62a_100000049725_200000210301 [1,1,0,0,0,0|2,0,0]=4 3846 B12R1.653 COc1ccc(c(c1C)C)SC 62a_200000210301_100000049725 [1,1,0,0,0,0|2,0,0]=4 3847 B12R1.653 COc1ccc(c(c1C)C)S[13CH3] 62a_100000049725_200025704644 [1,1,0,0,0,0|2,0,0]=4 3848 B12R1.653 COc1ccc(c(c1C)C)S[13CH3] 62a_200025704644_100000049725 [1,1,0,0,0,0|2,0,0]=4 3849 B12R1.653 COc1ccc(c(c1O)F)OC 271570a_203496583355_200016180952 [1,1,0,0,0,0|2,0,0]=4 3850 B12R1.653 CSc1ccc(c(c1C)F)C=O 62a_100015546853_200000210301 [1,1,0,0,0,0|0,1,0]=3 3851 B12R1.653 CSc1ccc(c(c1C)F)C=O 62a_200000210301_100015546853 [1,1,0,0,0,0|0,1,0]=3 3852 B12R1.653 CSc1ccc(c(c1F)F)C=O 62a_100010209662_200000210301 [1,1,0,0,0,0|1,1,0]=4 3853 B12R1.653 CSc1ccc(c(c1F)F)C=O 62a_200000210301_100010209662 [1,1,0,0,0,0|1,1,0]=4 3854 B12R1.653 CSc1ccc(c(c1F)O)C=O 62a_100010762540_200000210301 [1,1,0,0,0,0|1,1,0]=4 3855 B12R1.653 CSc1ccc(c(c1F)O)C=O 62a_200000210301_100010762540 [1,1,0,0,0,0|1,1,0]=4 3856 B12R1.653 Cc1c(ccc(c1F)C=O)S[13CH3] 62a_100015546853_200025704644 [1,1,0,0,0,0|0,1,0]=3 3857 B12R1.653 Cc1c(ccc(c1F)C=O)S[13CH3] 62a_200025704644_100015546853 [1,1,0,0,0,0|0,1,0]=3 3858 B12R1.653 [13CH3]Sc1ccc(c(c1F)F)C=O 62a_100010209662_200025704644 [1,1,0,0,0,0|1,1,0]=4 3859 B12R1.653 [13CH3]Sc1ccc(c(c1F)F)C=O 62a_200025704644_100010209662 [1,1,0,0,0,0|1,1,0]=4 3860 B12R1.653 [13CH3]Sc1ccc(c(c1F)O)C=O 62a_100010762540_200025704644 [1,1,0,0,0,0|1,1,0]=4 3861 B12R1.653 [13CH3]Sc1ccc(c(c1F)O)C=O 62a_200025704644_100010762540 [1,1,0,0,0,0|1,1,0]=4 3862 B12R1.56 C#Cc1cc(ccc1C)C(=O)C 1458a_200012278110_200000210301 [1,1,0,0,0,0|1,0,1]=4 3863 B12R1.56 C#Cc1cc(ccc1C)C(=O)[13CH3] 1458a_200012278110_200025704644 [1,1,0,0,0,0|1,0,1]=4 3864 B12R1.56 C=C(C)c1cc(c(cn1)C)OC 271570a_100000694244_100010067687 [1,1,0,0,0,0|2,0,0]=4 3865 B12R1.56 C=C(C)c1ccc(c(c1)CC)O 271570a_100000694244_100012338938 [1,1,0,0,0,0|2,0,0]=4 3866 B12R1.56 C=C(C)c1ccc(c(c1)NC)C 271570a_100000694244_100020629602 [1,1,0,0,0,0|2,0,0]=4 3867 B12R1.56 C=C(C)c1ccc(c(c1)OC)Br 271570a_100000694244_100012353699 [1,1,0,0,0,0|2,0,0]=4 3868 B12R1.56 C=C(C)c1ccc(c(c1)OC)C 271570a_100000694244_100011830276 [1,1,0,0,0,0|1,0,0]=3 3869 B12R1.56 C=C(C)c1ccc(c(c1)OC)Cl 271570a_100000694244_100011356853 [1,1,0,0,0,0|2,0,0]=4 3870 B12R1.56 C=C(C)c1ccc(c(c1)OC)F 271570a_100000694244_100011934186 [1,1,0,0,0,0|2,0,0]=4 3871 B12R1.56 C=C(C)c1ccc(c(c1)OC)N 271570a_100000694244_100011279103 [1,1,0,0,0,0|2,0,0]=4 3872 B12R1.56 C=C(C)c1ccc(c(c1)OC)O 271570a_100000694244_100000694246 [1,1,0,0,0,0|1,0,0]=3 3873 B12R1.56 C=C(C)c1ccc(c(n1)OC)O 271570a_100000694244_100010893133 [1,1,0,0,0,0|2,0,0]=4 3874 B12R1.56 C=C(C)c1cnc(c(c1)OC)C 271570a_100000694244_100010254219 [1,1,0,0,0,0|2,0,0]=4 3875 B12R1.56 C=Cc1cc(ccc1C)C(=O)C 271570a_100011290941_100011934287 [1,1,0,0,0,0|1,0,1]=4 3876 B12R1.56 C=Cc1cc(ccc1C)C(=O)N 271570a_100011290941_100000186401 [1,1,0,0,0,0|1,0,1]=4 3877 B12R1.56 C=Cc1cc(ccc1O)C(=O)C 271570a_100011290941_100011772453 [1,1,0,0,0,0|1,0,1]=4 3878 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_200000210301 [1,1,0,0,0,0|2,0,0]=4 3879 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O 271570a_203496583355_100010125495 [1,1,0,0,0,0|2,0,0]=4 3880 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000084092_200025704644 [1,1,0,0,0,0|0,0,0]=2 3881 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000084092_200025704644 [1,1,0,0,0,0|0,0,0]=2 3882 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000117923_200025704644 [1,1,0,0,0,0|1,0,0]=3 3883 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000117923_200025704644 [1,1,0,0,0,0|1,0,0]=3 3884 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])Br 62a_100010146556_200025704644 [1,1,0,0,0,0|1,1,0]=4 3885 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])Br 62a_200025704644_100010146556 [1,1,0,0,0,0|1,1,0]=4 3886 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])C 62a_100011934287_200025704644 [1,1,0,0,0,0|0,1,0]=3 3887 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])C 62a_200025704644_100011934287 [1,1,0,0,0,0|0,1,0]=3 3888 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])F 62a_100000239719_200025704644 [1,1,0,0,0,0|1,1,0]=4 3889 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100000239719 [1,1,0,0,0,0|1,1,0]=4 3890 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])N 62a_100012029215_200025704644 [1,1,0,0,0,0|1,1,0]=4 3891 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])O 62a_100011772453_200025704644 [1,1,0,0,0,0|0,1,0]=3 3892 B12R1.56 CCc1cc(ccc1Br)C(=O)C 1458a_100010152358_200000210301 [1,1,0,0,0,0|2,0,0]=4 3893 B12R1.56 CCc1cc(ccc1Br)C(=O)[13CH3] 1458a_100010152358_200025704644 [1,1,0,0,0,0|2,0,0]=4 3894 B12R1.56 CCc1cc(ccc1Cl)C(=O)C 1458a_100000102533_200000210301 [1,1,0,0,0,0|2,0,0]=4 3895 B12R1.56 CCc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000102533_200025704644 [1,1,0,0,0,0|2,0,0]=4 3896 B12R1.56 CCc1cc(ccc1F)C(=O)C 1458a_100009883079_200000210301 [1,1,0,0,0,0|2,0,0]=4 3897 B12R1.56 CCc1cc(ccc1F)C(=O)[13CH3] 1458a_100009883079_200025704644 [1,1,0,0,0,0|2,0,0]=4 3898 B12R1.56 CNc1cc(ccc1C)C(=O)N 34a_100000188646_200000210301 [1,1,0,0,0,0|1,0,0]=3 3899 B12R1.56 CNc1cc(ccc1C)C(=O)N 7a_100000188646_200000210301 [1,1,0,0,0,0|1,0,0]=3 3900 B12R1.56 CNc1cc(ccc1C)[N+](=O)[O-] 34a_100000184112_200000210301 [1,1,0,0,0,0|2,0,0]=4 3901 B12R1.56 CNc1cc(ccc1C)[N+](=O)[O-] 7a_100000184112_200000210301 [1,1,0,0,0,0|2,0,0]=4 3902 B12R1.56 CNc1cc(ccc1Cl)C(=O)N 34a_100000736751_200000210301 [1,1,0,0,0,0|2,0,0]=4 3903 B12R1.56 CNc1cc(ccc1F)C(=O)N 34a_100000740466_200000210301 [1,1,0,0,0,0|2,0,0]=4 3904 B12R1.56 CNc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200000210301 [1,1,0,0,0,0|2,0,0]=4 3905 B12R1.56 COc1cc(ccc1Br)C(=O)C 1458a_100011934951_200000210301 [1,1,0,0,0,0|1,0,0]=3 3906 B12R1.56 COc1cc(ccc1Br)C(=O)N 34a_100012344895_200000210301 [1,1,0,0,0,0|1,0,0]=3 3907 B12R1.56 COc1cc(ccc1Br)C(=O)N 7a_100012344895_200000210301 [1,1,0,0,0,0|1,0,0]=3 3908 B12R1.56 COc1cc(ccc1Br)C(=O)[13CH3] 1458a_100011934951_200025704644 [1,1,0,0,0,0|1,0,0]=3 3909 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200000210301 [1,1,0,0,0,0|2,0,0]=4 3910 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200000210301 [1,1,0,0,0,0|2,0,0]=4 3911 B12R1.56 COc1cc(ccc1C)C(=O)C 1458a_100000212341_200000210301 [1,1,0,0,0,0|0,0,0]=2 3912 B12R1.56 COc1cc(ccc1C)C(=O)C 34a_100000084092_200000210301 [1,1,0,0,0,0|0,0,0]=2 3913 B12R1.56 COc1cc(ccc1C)C(=O)C 7a_100000084092_200000210301 [1,1,0,0,0,0|0,0,0]=2 3914 B12R1.56 COc1cc(ccc1C)C(=O)[13CH3] 1458a_100000212341_200025704644 [1,1,0,0,0,0|0,0,0]=2 3915 B12R1.56 COc1cc(ccc1C)C(C)C 34a_100000212073_200000210301 [1,1,0,0,0,0|1,0,1]=4 3916 B12R1.56 COc1cc(ccc1C)C(C)C 7a_100000212073_200000210301 [1,1,0,0,0,0|1,0,1]=4 3917 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 34a_100000740739_200000210301 [1,1,0,0,0,0|1,0,0]=3 3918 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 7a_100000740739_200000210301 [1,1,0,0,0,0|1,0,0]=3 3919 B12R1.56 COc1cc(ccc1Cl)C(=O)C 1458a_100000181799_200000210301 [1,1,0,0,0,0|1,0,0]=3 3920 B12R1.56 COc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000181799_200025704644 [1,1,0,0,0,0|1,0,0]=3 3921 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200000210301 [1,1,0,0,0,0|2,0,0]=4 3922 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200000210301 [1,1,0,0,0,0|2,0,0]=4 3923 B12R1.56 COc1cc(ccc1F)C(=O)C 1458a_100000757635_200000210301 [1,1,0,0,0,0|1,0,0]=3 3924 B12R1.56 COc1cc(ccc1F)C(=O)C 34a_100000117923_200000210301 [1,1,0,0,0,0|1,0,0]=3 3925 B12R1.56 COc1cc(ccc1F)C(=O)C 7a_100000117923_200000210301 [1,1,0,0,0,0|1,0,0]=3 3926 B12R1.56 COc1cc(ccc1F)C(=O)[13CH3] 1458a_100000757635_200025704644 [1,1,0,0,0,0|1,0,0]=3 3927 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200000210301 [1,1,0,0,0,0|2,0,0]=4 3928 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200000210301 [1,1,0,0,0,0|2,0,0]=4 3929 B12R1.56 COc1cc(ccc1I)C(=O)C 1458a_100012356290_200000210301 [1,1,0,0,0,0|1,0,0]=3 3930 B12R1.56 COc1cc(ccc1I)C(=O)[13CH3] 1458a_100012356290_200025704644 [1,1,0,0,0,0|1,0,0]=3 3931 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200000210301 [1,1,0,0,0,0|2,0,0]=4 3932 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200000210301 [1,1,0,0,0,0|2,0,0]=4 3933 B12R1.56 COc1cc(ccc1N)C(=O)N 34a_100011850428_200000210301 [1,1,0,0,0,0|1,0,0]=3 3934 B12R1.56 COc1cc(ccc1N)C(=O)N 7a_100011850428_200000210301 [1,1,0,0,0,0|1,0,0]=3 3935 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200000210301 [1,1,0,0,0,0|2,0,0]=4 3936 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200000210301 [1,1,0,0,0,0|2,0,0]=4 3937 B12R1.56 COc1cc(ccc1O)B(O)O 271570a_203496583355_100012355544 [1,1,0,0,0,0|1,0,1]=4 3938 B12R1.56 COc1cc(ccc1O)C(=O)C 1458a_100000687070_200000210301 [1,1,0,0,0,0|0,0,0]=2 3939 B12R1.56 COc1cc(ccc1O)C(=O)C 271570a_203496583355_100010110075 [1,1,0,0,0,0|0,0,0]=2 3940 B12R1.56 COc1cc(ccc1O)C(=O)N 271570a_203496583355_100009817049 [1,1,0,0,0,0|0,0,0]=2 3941 B12R1.56 COc1cc(ccc1O)C(=O)[13CH3] 1458a_100000687070_200025704644 [1,1,0,0,0,0|0,0,0]=2 3942 B12R1.56 COc1cc(ccc1O)C(C)C 271570a_203496583355_100021623167 [1,1,0,0,0,0|1,0,1]=4 3943 B12R1.56 CSc1cc(ccc1Br)C(=O)C 62a_100010146556_200000210301 [1,1,0,0,0,0|1,1,0]=4 3944 B12R1.56 CSc1cc(ccc1Br)C(=O)C 62a_200000210301_100010146556 [1,1,0,0,0,0|1,1,0]=4 3945 B12R1.56 CSc1cc(ccc1C)C(=O)C 62a_100011934287_200000210301 [1,1,0,0,0,0|0,1,0]=3 3946 B12R1.56 CSc1cc(ccc1C)C(=O)C 62a_200000210301_100011934287 [1,1,0,0,0,0|0,1,0]=3 3947 B12R1.56 CSc1cc(ccc1C)C(=O)N 62a_100000186401_200000210301 [1,1,0,0,0,0|0,1,0]=3 3948 B12R1.56 CSc1cc(ccc1C)C(=O)N 62a_200000210301_100000186401 [1,1,0,0,0,0|0,1,0]=3 3949 B12R1.56 CSc1cc(ccc1F)C(=O)C 62a_100000239719_200000210301 [1,1,0,0,0,0|1,1,0]=4 3950 B12R1.56 CSc1cc(ccc1F)C(=O)C 62a_200000210301_100000239719 [1,1,0,0,0,0|1,1,0]=4 3951 B12R1.56 CSc1cc(ccc1F)C(=O)N 62a_100011202321_200000210301 [1,1,0,0,0,0|1,1,0]=4 3952 B12R1.56 CSc1cc(ccc1F)C(=O)N 62a_200000210301_100011202321 [1,1,0,0,0,0|1,1,0]=4 3953 B12R1.56 CSc1cc(ccc1N)C(=O)C 62a_100012029215_200000210301 [1,1,0,0,0,0|1,1,0]=4 3954 B12R1.56 CSc1cc(ccc1O)C(=O)C 62a_100011772453_200000210301 [1,1,0,0,0,0|0,1,0]=3 3955 B12R1.56 Cc1ccc(cc1N[13CH3])C(=O)N 34a_100000188646_200025704644 [1,1,0,0,0,0|1,0,0]=3 3956 B12R1.56 Cc1ccc(cc1N[13CH3])C(=O)N 7a_100000188646_200025704644 [1,1,0,0,0,0|1,0,0]=3 3957 B12R1.56 Cc1ccc(cc1N[13CH3])[N+](=O)[O-] 34a_100000184112_200025704644 [1,1,0,0,0,0|2,0,0]=4 3958 B12R1.56 Cc1ccc(cc1N[13CH3])[N+](=O)[O-] 7a_100000184112_200025704644 [1,1,0,0,0,0|2,0,0]=4 3959 B12R1.56 Cc1ccc(cc1O[13CH3])C(C)C 34a_100000212073_200025704644 [1,1,0,0,0,0|1,0,1]=4 3960 B12R1.56 Cc1ccc(cc1O[13CH3])C(C)C 7a_100000212073_200025704644 [1,1,0,0,0,0|1,0,1]=4 3961 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000740739_200025704644 [1,1,0,0,0,0|1,0,0]=3 3962 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000740739_200025704644 [1,1,0,0,0,0|1,0,0]=3 3963 B12R1.56 Cc1ccc(cc1S[13CH3])C(=O)N 62a_100000186401_200025704644 [1,1,0,0,0,0|0,1,0]=3 3964 B12R1.56 Cc1ccc(cc1S[13CH3])C(=O)N 62a_200025704644_100000186401 [1,1,0,0,0,0|0,1,0]=3 3965 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_200025704644 [1,1,0,0,0,0|2,0,0]=4 3966 B12R1.56 [13CH3]Nc1cc(ccc1Cl)C(=O)N 34a_100000736751_200025704644 [1,1,0,0,0,0|2,0,0]=4 3967 B12R1.56 [13CH3]Nc1cc(ccc1F)C(=O)N 34a_100000740466_200025704644 [1,1,0,0,0,0|2,0,0]=4 3968 B12R1.56 [13CH3]Nc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200025704644 [1,1,0,0,0,0|2,0,0]=4 3969 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 34a_100012344895_200025704644 [1,1,0,0,0,0|1,0,0]=3 3970 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 7a_100012344895_200025704644 [1,1,0,0,0,0|1,0,0]=3 3971 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200025704644 [1,1,0,0,0,0|2,0,0]=4 3972 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200025704644 [1,1,0,0,0,0|2,0,0]=4 3973 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200025704644 [1,1,0,0,0,0|2,0,0]=4 3974 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200025704644 [1,1,0,0,0,0|2,0,0]=4 3975 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200025704644 [1,1,0,0,0,0|2,0,0]=4 3976 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200025704644 [1,1,0,0,0,0|2,0,0]=4 3977 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200025704644 [1,1,0,0,0,0|2,0,0]=4 3978 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200025704644 [1,1,0,0,0,0|2,0,0]=4 3979 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 34a_100011850428_200025704644 [1,1,0,0,0,0|1,0,0]=3 3980 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 7a_100011850428_200025704644 [1,1,0,0,0,0|1,0,0]=3 3981 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200025704644 [1,1,0,0,0,0|2,0,0]=4 3982 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200025704644 [1,1,0,0,0,0|2,0,0]=4 3983 B12R1.56 [13CH3]Sc1cc(ccc1F)C(=O)N 62a_100011202321_200025704644 [1,1,0,0,0,0|1,1,0]=4 3984 B12R1.56 [13CH3]Sc1cc(ccc1F)C(=O)N 62a_200025704644_100011202321 [1,1,0,0,0,0|1,1,0]=4 3985 B12R1.270 C=C=Cc1cc(ccc1C)C=O 271570a_100015277604_100000695567 [1,1,0,0,0,0|1,0,1]=4 3986 B12R1.270 C=C=Cc1cc(ccc1O)C=O 271570a_100015277604_100000184552 [1,1,0,0,0,0|1,0,1]=4 3987 B12R1.270 C=Cc1ccc(c(c1)CNC)C 271570a_100011290941_106744473289 [1,1,0,0,0,0|2,0,0]=4 3988 B12R1.270 C=Cc1ccc(c(c1)CNC)O 271570a_100011290941_100011602694 [1,1,0,0,0,0|2,0,0]=4 3989 B12R1.270 C=Cc1ccc(c(c1)COC)Br 271570a_100011290941_202125822959 [1,1,0,0,0,0|2,0,0]=4 3990 B12R1.270 C=Cc1ccc(c(c1)COC)F 271570a_100011290941_100010140362 [1,1,0,0,0,0|2,0,0]=4 3991 B12R1.270 C=Cc1ccc(c(c1)OCC)C 271570a_100011290941_100012361169 [1,1,0,0,0,0|1,0,0]=3 3992 B12R1.270 C=Cc1ccc(c(c1)OCC)F 271570a_100011290941_200012344967 [1,1,0,0,0,0|2,0,0]=4 3993 B12R1.270 C=Cc1ccc(c(c1)OCC)N 271570a_100011290941_100000688918 [1,1,0,0,0,0|2,0,0]=4 3994 B12R1.270 CC=Cc1cc(ccc1Br)C=O 271570a_100016259895_100010146563 [1,1,0,0,0,0|2,0,0]=4 3995 B12R1.270 CC=Cc1cc(ccc1C)C=O 271570a_100016259895_100000695567 [1,1,0,0,0,0|1,0,0]=3 3996 B12R1.270 CC=Cc1cc(ccc1Cl)C=O 271570a_100016259895_100010209939 [1,1,0,0,0,0|2,0,0]=4 3997 B12R1.270 CC=Cc1cc(ccc1F)C=O 271570a_100016259895_100000211747 [1,1,0,0,0,0|2,0,0]=4 3998 B12R1.270 CC=Cc1cc(ccc1O)C=O 271570a_100016259895_100000184552 [1,1,0,0,0,0|1,0,0]=3 3999 B12R1.270 CC=Cc1cc(cnc1O)C=O 271570a_100016259895_100010064886 [1,1,0,0,0,0|2,0,0]=4 4000 B12R1.270 CC=Cc1cc(ncc1C)C=O 271570a_100016259895_100010174032 [1,1,0,0,0,0|2,0,0]=4 4001 B12R1.270 CCOc1cc(ccc1C)C#N 34a_100000765541_100000210202 [1,1,0,0,0,0|1,0,1]=4 4002 B12R1.270 CCOc1cc(ccc1C)C#N 7a_100000765541_100000210202 [1,1,0,0,0,0|1,0,1]=4 4003 B12R1.270 CCOc1cc(ccc1C)OC 34a_100012179981_100000210202 [1,1,0,0,0,0|2,0,0]=4 4004 B12R1.270 CCOc1cc(ccc1C)OC 7a_100012179981_100000210202 [1,1,0,0,0,0|2,0,0]=4 4005 B12R1.270 CCOc1cc(ccc1C)SC 62a_100012361169_200000210301 [1,1,0,0,0,0|2,0,0]=4 4006 B12R1.270 CCOc1cc(ccc1C)SC 62a_200000210301_100012361169 [1,1,0,0,0,0|2,0,0]=4 4007 B12R1.270 CCOc1cc(ccc1C)S[13CH3] 62a_100012361169_200025704644 [1,1,0,0,0,0|2,0,0]=4 4008 B12R1.270 CCOc1cc(ccc1C)S[13CH3] 62a_200025704644_100012361169 [1,1,0,0,0,0|2,0,0]=4 4009 B12R1.270 CCOc1cc(ccc1O)C=O 271570a_203496583355_200010381951 [1,1,0,0,0,0|0,0,0]=2 4010 B12R1.270 CCSc1cc(ccc1Br)C=O 62a_100000210202_100010146563 [1,1,0,0,0,0|1,1,0]=4 4011 B12R1.270 CCSc1cc(ccc1Br)C=O 62a_100010146563_100000210202 [1,1,0,0,0,0|1,1,0]=4 4012 B12R1.270 CCSc1cc(ccc1C)C=O 62a_100000210202_100000695567 [1,1,0,0,0,0|0,1,0]=3 4013 B12R1.270 CCSc1cc(ccc1C)C=O 62a_100000695567_100000210202 [1,1,0,0,0,0|0,1,0]=3 4014 B12R1.270 CCSc1cc(ccc1Cl)C=O 62a_100000210202_100010209939 [1,1,0,0,0,0|1,1,0]=4 4015 B12R1.270 CCSc1cc(ccc1Cl)C=O 62a_100010209939_100000210202 [1,1,0,0,0,0|1,1,0]=4 4016 B12R1.270 CCSc1cc(ccc1F)C=O 62a_100000210202_100000211747 [1,1,0,0,0,0|1,1,0]=4 4017 B12R1.270 CCSc1cc(ccc1F)C=O 62a_100000211747_100000210202 [1,1,0,0,0,0|1,1,0]=4 4018 B12R1.270 CCSc1cc(ccc1O)C=O 62a_100000184552_100000210202 [1,1,0,0,0,0|0,1,0]=3 4019 B12R1.270 CCSc1cc(ccc1O)C=O 62a_100000210202_100000184552 [1,1,0,0,0,0|0,1,0]=3 4020 B12R1.270 CCSc1cc(cnc1O)C=O 62a_100000210202_100010064886 [1,1,0,0,0,0|1,1,0]=4 4021 B12R1.270 CCSc1cc(cnc1O)C=O 62a_100010064886_100000210202 [1,1,0,0,0,0|1,1,0]=4 4022 B12R1.270 CCSc1cc(ncc1C)C=O 62a_100000210202_100010174032 [1,1,0,0,0,0|1,1,0]=4 4023 B12R1.270 CCSc1cc(ncc1C)C=O 62a_100010174032_100000210202 [1,1,0,0,0,0|1,1,0]=4 4024 B12R1.270 COCc1cc(ccc1C)C#N 34a_200009860882_200000210301 [1,1,0,0,0,0|1,0,1]=4 4025 B12R1.270 COCc1cc(ccc1C)C#N 7a_200009860882_200000210301 [1,1,0,0,0,0|1,0,1]=4 4026 B12R1.270 COCc1cc(ccc1C)OC 34a_100009841904_200000210301 [1,1,0,0,0,0|2,0,0]=4 4027 B12R1.270 COCc1cc(ccc1C)OC 7a_100009841904_200000210301 [1,1,0,0,0,0|2,0,0]=4 4028 B12R1.270 COc1ccc(c(c1)CO[13CH3])C 34a_100009841904_200025704644 [1,1,0,0,0,0|2,0,0]=4 4029 B12R1.270 COc1ccc(c(c1)CO[13CH3])C 7a_100009841904_200025704644 [1,1,0,0,0,0|2,0,0]=4 4030 B12R1.270 COc1ccc(c(c1)OCF)C 34a_100012179981_100015361967 [1,1,0,0,0,0|2,0,0]=4 4031 B12R1.270 COc1ccc(c(c1)OCF)C 7a_100012179981_100015361967 [1,1,0,0,0,0|2,0,0]=4 4032 B12R1.270 Cc1ccc(cc1CO[13CH3])C#N 34a_200009860882_200025704644 [1,1,0,0,0,0|1,0,1]=4 4033 B12R1.270 Cc1ccc(cc1CO[13CH3])C#N 7a_200009860882_200025704644 [1,1,0,0,0,0|1,0,1]=4 4034 B12R1.270 Cc1ccc(cc1OCF)C#N 34a_100000765541_100015361967 [1,1,0,0,0,0|1,0,1]=4 4035 B12R1.270 Cc1ccc(cc1OCF)C#N 7a_100000765541_100015361967 [1,1,0,0,0,0|1,0,1]=4 4036 B12R1.270 Cc1ccc(cc1SCF)C=O 62a_100000695567_100015361967 [1,1,0,0,0,0|0,1,0]=3 4037 B12R1.270 Cc1ccc(cc1SCF)C=O 62a_100015361967_100000695567 [1,1,0,0,0,0|0,1,0]=3 4038 B12R1.270 Cc1cnc(cc1SCF)C=O 62a_100010174032_100015361967 [1,1,0,0,0,0|1,1,0]=4 4039 B12R1.270 Cc1cnc(cc1SCF)C=O 62a_100015361967_100010174032 [1,1,0,0,0,0|1,1,0]=4 4040 B12R1.270 O=Cc1ccc(c(c1)SCF)Br 62a_100010146563_100015361967 [1,1,0,0,0,0|1,1,0]=4 4041 B12R1.270 O=Cc1ccc(c(c1)SCF)Br 62a_100015361967_100010146563 [1,1,0,0,0,0|1,1,0]=4 4042 B12R1.270 O=Cc1ccc(c(c1)SCF)Cl 62a_100010209939_100015361967 [1,1,0,0,0,0|1,1,0]=4 4043 B12R1.270 O=Cc1ccc(c(c1)SCF)Cl 62a_100015361967_100010209939 [1,1,0,0,0,0|1,1,0]=4 4044 B12R1.270 O=Cc1ccc(c(c1)SCF)F 62a_100000211747_100015361967 [1,1,0,0,0,0|1,1,0]=4 4045 B12R1.270 O=Cc1ccc(c(c1)SCF)F 62a_100015361967_100000211747 [1,1,0,0,0,0|1,1,0]=4 4046 B12R1.270 O=Cc1ccc(c(c1)SCF)O 62a_100000184552_100015361967 [1,1,0,0,0,0|0,1,0]=3 4047 B12R1.270 O=Cc1ccc(c(c1)SCF)O 62a_100015361967_100000184552 [1,1,0,0,0,0|0,1,0]=3 4048 B12R1.270 O=Cc1cnc(c(c1)SCF)O 62a_100010064886_100015361967 [1,1,0,0,0,0|1,1,0]=4 4049 B12R1.270 O=Cc1cnc(c(c1)SCF)O 62a_100015361967_100010064886 [1,1,0,0,0,0|1,1,0]=4 4050 B12R1.286 C=C=Cc1cc(c(cn1)C)OC 271570a_100015277604_100010067687 [1,1,0,0,0,0|2,0,0]=4 4051 B12R1.286 C=C=Cc1ccc(c(c1)CC)O 271570a_100015277604_100012338938 [1,1,0,0,0,0|2,0,0]=4 4052 B12R1.286 C=C=Cc1ccc(c(c1)NC)C 271570a_100015277604_100020629602 [1,1,0,0,0,0|2,0,0]=4 4053 B12R1.286 C=C=Cc1ccc(c(c1)OC)Br 271570a_100015277604_100012353699 [1,1,0,0,0,0|2,0,0]=4 4054 B12R1.286 C=C=Cc1ccc(c(c1)OC)C 271570a_100015277604_100011830276 [1,1,0,0,0,0|1,0,0]=3 4055 B12R1.286 C=C=Cc1ccc(c(c1)OC)Cl 271570a_100015277604_100011356853 [1,1,0,0,0,0|2,0,0]=4 4056 B12R1.286 C=C=Cc1ccc(c(c1)OC)F 271570a_100015277604_100011934186 [1,1,0,0,0,0|2,0,0]=4 4057 B12R1.286 C=C=Cc1ccc(c(c1)OC)N 271570a_100015277604_100011279103 [1,1,0,0,0,0|2,0,0]=4 4058 B12R1.286 C=C=Cc1ccc(c(c1)OC)O 271570a_100015277604_100000694246 [1,1,0,0,0,0|1,0,0]=3 4059 B12R1.286 C=C=Cc1ccc(c(n1)OC)O 271570a_100015277604_100010893133 [1,1,0,0,0,0|2,0,0]=4 4060 B12R1.286 C=C=Cc1cnc(c(c1)OC)C 271570a_100015277604_100010254219 [1,1,0,0,0,0|2,0,0]=4 4061 B12R1.286 CC=Cc1cc(c(cn1)C)OC 271570a_100016259895_100010067687 [1,1,0,0,0,0|2,0,0]=4 4062 B12R1.286 CC=Cc1ccc(c(c1)CC)O 271570a_100016259895_100012338938 [1,1,0,0,0,0|2,0,0]=4 4063 B12R1.286 CC=Cc1ccc(c(c1)NC)C 271570a_100016259895_100020629602 [1,1,0,0,0,0|2,0,0]=4 4064 B12R1.286 CC=Cc1ccc(c(c1)OC)Br 271570a_100016259895_100012353699 [1,1,0,0,0,0|2,0,0]=4 4065 B12R1.286 CC=Cc1ccc(c(c1)OC)C 271570a_100016259895_100011830276 [1,1,0,0,0,0|1,0,0]=3 4066 B12R1.286 CC=Cc1ccc(c(c1)OC)Cl 271570a_100016259895_100011356853 [1,1,0,0,0,0|2,0,0]=4 4067 B12R1.286 CC=Cc1ccc(c(c1)OC)F 271570a_100016259895_100011934186 [1,1,0,0,0,0|2,0,0]=4 4068 B12R1.286 CC=Cc1ccc(c(c1)OC)N 271570a_100016259895_100011279103 [1,1,0,0,0,0|2,0,0]=4 4069 B12R1.286 CC=Cc1ccc(c(c1)OC)O 271570a_100016259895_100000694246 [1,1,0,0,0,0|1,0,0]=3 4070 B12R1.286 CC=Cc1ccc(c(n1)OC)O 271570a_100016259895_100010893133 [1,1,0,0,0,0|2,0,0]=4 4071 B12R1.286 CC=Cc1cnc(c(c1)OC)C 271570a_100016259895_100010254219 [1,1,0,0,0,0|2,0,0]=4 4072 B12R1.286 CCNc1ccc(c(c1)OC)C 2230a_100011279678_100000210202 [1,1,0,0,0,0|1,0,1]=4 4073 B12R1.286 CCNc1ccc(c(c1)OC)C 34a_100011279678_100000210202 [1,1,0,0,0,0|1,0,1]=4 4074 B12R1.286 CCNc1ccc(c(c1)OC)O 34a_100000726020_100000210202 [1,1,0,0,0,0|1,0,1]=4 4075 B12R1.286 CCOc1ccc(c(c1)OC)C 34a_100009865632_100000210202 [1,1,0,0,0,0|1,0,1]=4 4076 B12R1.286 CCOc1ccc(c(c1)OC)C 7a_100009865632_100000210202 [1,1,0,0,0,0|1,0,1]=4 4077 B12R1.286 CCSc1ccc(c(c1)OC)C 62a_100000210202_100011830276 [1,1,0,0,0,0|1,0,1]=4 4078 B12R1.286 CCSc1ccc(c(c1)OC)C 62a_100011830276_100000210202 [1,1,0,0,0,0|1,0,1]=4 4079 B12R1.286 CCSc1ccc(c(c1)OC)O 62a_100000210202_100000694246 [1,1,0,0,0,0|1,0,1]=4 4080 B12R1.286 CNCc1ccc(c(c1)OC)C 207a_100102657272_100000719150 [1,1,0,0,0,0|1,0,1]=4 4081 B12R1.286 CNCc1ccc(c(c1)OC)C 270004a_106832991635_100000719150 [1,1,0,0,0,0|1,0,1]=4 4082 B12R1.286 CNCc1ccc(c(c1)OC)O 34a_100000185554_200000210301 [1,1,0,0,0,0|1,0,1]=4 4083 B12R1.286 COCc1ccc(c(c1)OC)C 34a_100000752651_200000210301 [1,1,0,0,0,0|0,0,2]=4 4084 B12R1.286 COCc1ccc(c(c1)OC)C 7a_100000752651_200000210301 [1,1,0,0,0,0|0,0,2]=4 4085 B12R1.286 COc1cc(ccc1C)CO[13CH3] 34a_100000752651_200025704644 [1,1,0,0,0,0|0,0,2]=4 4086 B12R1.286 COc1cc(ccc1C)CO[13CH3] 7a_100000752651_200025704644 [1,1,0,0,0,0|0,0,2]=4 4087 B12R1.286 COc1cc(ccc1C)NCF 34a_100011279678_100015361967 [1,1,0,0,0,0|1,0,1]=4 4088 B12R1.286 COc1cc(ccc1C)OCF 34a_100009865632_100015361967 [1,1,0,0,0,0|1,0,1]=4 4089 B12R1.286 COc1cc(ccc1C)OCF 7a_100009865632_100015361967 [1,1,0,0,0,0|1,0,1]=4 4090 B12R1.286 COc1cc(ccc1C)SCF 62a_100011830276_100015361967 [1,1,0,0,0,0|1,0,1]=4 4091 B12R1.286 COc1cc(ccc1C)SCF 62a_100015361967_100011830276 [1,1,0,0,0,0|1,0,1]=4 4092 B12R1.286 COc1cc(ccc1O)CC#N 271570a_203496583355_100010176002 [1,1,0,0,0,0|1,0,1]=4 4093 B12R1.286 COc1cc(ccc1O)CN[13CH3] 34a_100000185554_200025704644 [1,1,0,0,0,0|1,0,1]=4 4094 B12R1.286 COc1cc(ccc1O)NCF 34a_100000726020_100015361967 [1,1,0,0,0,0|1,0,1]=4 4095 B12R1.286 COc1cc(ccc1O)SCF 62a_100015361967_100000694246 [1,1,0,0,0,0|1,0,1]=4 4096 B12R1.300 C=Cc1cc(c(c(c1)CC)O)C 271570a_100011290941_100010659108 [1,1,0,0,0,0|2,0,0]=4 4097 B12R1.300 C=Cc1cc(c(c(c1)OC)F)C 271570a_100011290941_100010271686 [1,1,0,0,0,0|2,0,0]=4 4098 B12R1.300 C=Cc1cc(c(c(c1)OC)F)F 271570a_100011290941_100011218012 [1,1,0,0,0,0|2,0,0]=4 4099 B12R1.300 C=Cc1cc(c(c(c1)OC)F)O 271570a_100011290941_200015524394 [1,1,0,0,0,0|2,0,0]=4 4100 B12R1.300 C=Cc1cc(c(c(c1)OC)N)C 271570a_100011290941_100000741850 [1,1,0,0,0,0|2,0,0]=4 4101 B12R1.300 C=Cc1cc(cc(c1C)F)C=O 271570a_100011290941_100010132949 [1,1,0,0,0,0|1,0,1]=4 4102 B12R1.300 C=Cc1cc(cc(c1O)F)C=O 271570a_100011290941_100010295671 [1,1,0,0,0,0|1,0,1]=4 4103 B12R1.300 COc1cc(c(c(c1)OC)O)F 271570a_203496583355_200009812871 [1,1,0,0,0,0|2,0,0]=4 4104 B12R1.300 COc1cc(cc(c1O)O)C#N 271570a_203496583355_100000188612 [1,1,0,0,0,0|1,0,1]=4 4105 B12R1.300 COc1cc(cc(c1O)O)C=O 271570a_203496583355_100000184534 [1,1,0,0,0,0|0,0,0]=2 4106 B12R1.300 COc1cc(cc(c1O)O)CO 271570a_203496583355_200000022573 [1,1,0,0,0,0|0,0,2]=4 4107 B12R1.300 COc1cc(cc(c1O)O)SC 62a_200000210301_200159242197 [1,1,0,0,0,0|2,0,0]=4 4108 B12R1.300 COc1cc(cc(c1O)O)S[13CH3] 62a_200025704644_200159242197 [1,1,0,0,0,0|2,0,0]=4 4109 B12R1.300 CSc1cc(cc(c1C)F)C=O 62a_100010132949_200000210301 [1,1,0,0,0,0|0,1,0]=3 4110 B12R1.300 CSc1cc(cc(c1C)F)C=O 62a_200000210301_100010132949 [1,1,0,0,0,0|0,1,0]=3 4111 B12R1.300 CSc1cc(cc(c1F)Br)C=O 62a_100010270029_200000210301 [1,1,0,0,0,0|1,1,0]=4 4112 B12R1.300 CSc1cc(cc(c1F)Br)C=O 62a_200000210301_100010270029 [1,1,0,0,0,0|1,1,0]=4 4113 B12R1.300 CSc1cc(cc(c1F)F)C=O 62a_200000210301_200010341283 [1,1,0,0,0,0|1,1,0]=4 4114 B12R1.300 CSc1cc(cc(c1F)F)C=O 62a_200010341283_200000210301 [1,1,0,0,0,0|1,1,0]=4 4115 B12R1.300 CSc1cc(cc(c1O)F)C=O 62a_100010295671_200000210301 [1,1,0,0,0,0|0,1,0]=3 4116 B12R1.300 CSc1cc(cc(c1O)F)C=O 62a_200000210301_100010295671 [1,1,0,0,0,0|0,1,0]=3 4117 B12R1.300 CSc1cc(cc(c1O)O)C=O 62a_200000210301_100000687232 [1,1,0,0,0,0|0,1,0]=3 4118 B12R1.300 Cc1c(cc(cc1S[13CH3])C=O)F 62a_100010132949_200025704644 [1,1,0,0,0,0|0,1,0]=3 4119 B12R1.300 Cc1c(cc(cc1S[13CH3])C=O)F 62a_200025704644_100010132949 [1,1,0,0,0,0|0,1,0]=3 4120 B12R1.300 [13CH3]Sc1cc(cc(c1F)Br)C=O 62a_100010270029_200025704644 [1,1,0,0,0,0|1,1,0]=4 4121 B12R1.300 [13CH3]Sc1cc(cc(c1F)Br)C=O 62a_200025704644_100010270029 [1,1,0,0,0,0|1,1,0]=4 4122 B12R1.300 [13CH3]Sc1cc(cc(c1F)F)C=O 62a_200010341283_200025704644 [1,1,0,0,0,0|1,1,0]=4 4123 B12R1.300 [13CH3]Sc1cc(cc(c1F)F)C=O 62a_200025704644_200010341283 [1,1,0,0,0,0|1,1,0]=4 4124 B12R1.300 [13CH3]Sc1cc(cc(c1O)F)C=O 62a_100010295671_200025704644 [1,1,0,0,0,0|0,1,0]=3 4125 B12R1.300 [13CH3]Sc1cc(cc(c1O)F)C=O 62a_200025704644_100010295671 [1,1,0,0,0,0|0,1,0]=3 4126 B12R1.300 [13CH3]Sc1cc(cc(c1O)O)C=O 62a_200025704644_100000687232 [1,1,0,0,0,0|0,1,0]=3 4127 B12R1.449 C=Cc1cc(c(cc1Br)Br)OC 271570a_100011290941_200014006352 [1,1,0,0,0,0|2,0,0]=4 4128 B12R1.449 C=Cc1cc(c(cc1C)F)C=O 271570a_100011290941_100010138641 [1,1,0,0,0,0|1,0,1]=4 4129 B12R1.449 C=Cc1cc(c(cc1C)F)OC 271570a_100011290941_100011009880 [1,1,0,0,0,0|2,0,0]=4 4130 B12R1.449 C=Cc1cc(c(cc1C)N)OC 271570a_100011290941_100010141321 [1,1,0,0,0,0|2,0,0]=4 4131 B12R1.449 C=Cc1cc(c(cc1F)Cl)OC 271570a_100011290941_100010739614 [1,1,0,0,0,0|2,0,0]=4 4132 B12R1.449 C=Cc1cc(c(cc1F)F)OC 271570a_100011290941_200015541288 [1,1,0,0,0,0|2,0,0]=4 4133 B12R1.449 C=Cc1cc(c(cc1F)N)OC 271570a_100011290941_100012766639 [1,1,0,0,0,0|2,0,0]=4 4134 B12R1.449 C=Cc1cc(c(cc1F)O)OC 271570a_100011290941_100010189133 [1,1,0,0,0,0|1,0,0]=3 4135 B12R1.449 C=Cc1cc(c(cc1N)C)OC 271570a_100011290941_200010584344 [1,1,0,0,0,0|1,0,0]=3 4136 B12R1.449 C=Cc1cc(c(cc1N)F)OC 271570a_100011290941_100010365326 [1,1,0,0,0,0|2,0,0]=4 4137 B12R1.449 C=Cc1cc(c(cc1O)O)C=O 271570a_100011290941_200010132312 [1,1,0,0,0,0|1,0,1]=4 4138 B12R1.449 CNc1cc(c(cc1Br)C)OC 34a_100010244135_200000210301 [1,1,0,0,0,0|2,0,0]=4 4139 B12R1.449 CNc1cc(c(cc1Br)C)OC 7a_100010244135_200000210301 [1,1,0,0,0,0|2,0,0]=4 4140 B12R1.449 COc1cc(c(cc1C)Br)N[13CH3] 34a_100010244135_200025704644 [1,1,0,0,0,0|2,0,0]=4 4141 B12R1.449 COc1cc(c(cc1C)Br)N[13CH3] 7a_100010244135_200025704644 [1,1,0,0,0,0|2,0,0]=4 4142 B12R1.449 COc1cc(c(cc1C)N)SC 62a_200000210301_200010584344 [1,1,0,0,0,0|2,0,0]=4 4143 B12R1.449 COc1cc(c(cc1C)N)SC 62a_200010584344_200000210301 [1,1,0,0,0,0|2,0,0]=4 4144 B12R1.449 COc1cc(c(cc1C)N)S[13CH3] 62a_200010584344_200025704644 [1,1,0,0,0,0|2,0,0]=4 4145 B12R1.449 COc1cc(c(cc1C)N)S[13CH3] 62a_200025704644_200010584344 [1,1,0,0,0,0|2,0,0]=4 4146 B12R1.449 COc1cc(c(cc1F)O)C=O 271570a_203496583355_100010366953 [1,1,0,0,0,0|1,0,0]=3 4147 B12R1.449 COc1cc(c(cc1O)F)C=O 271570a_203496583355_100000695681 [1,1,0,0,0,0|0,0,0]=2 4148 B12R1.449 COc1cc(c(cc1O)F)OC 271570a_203496583355_100010141368 [1,1,0,0,0,0|2,0,0]=4 4149 B12R1.449 COc1cc(c(cc1O)F)SC 62a_200000210301_100010189133 [1,1,0,0,0,0|2,0,0]=4 4150 B12R1.449 COc1cc(c(cc1O)F)S[13CH3] 62a_200025704644_100010189133 [1,1,0,0,0,0|2,0,0]=4 4151 B12R1.449 COc1cc(c(cc1O)O)C=O 271570a_203496583355_100000741691 [1,1,0,0,0,0|0,0,0]=2 4152 B12R1.449 COc1cc(c(cc1O)O)C=O 271570a_203496583355_100010762608 [1,1,0,0,0,0|0,0,0]=2 4153 B12R1.449 CSc1cc(c(cc1C)F)C=O 62a_100010138641_200000210301 [1,1,0,0,0,0|0,1,0]=3 4154 B12R1.449 CSc1cc(c(cc1C)F)C=O 62a_200000210301_100010138641 [1,1,0,0,0,0|0,1,0]=3 4155 B12R1.449 CSc1cc(c(cc1F)F)C=O 62a_100009814802_200000210301 [1,1,0,0,0,0|1,1,0]=4 4156 B12R1.449 CSc1cc(c(cc1F)F)C=O 62a_200000210301_100009814802 [1,1,0,0,0,0|1,1,0]=4 4157 B12R1.449 CSc1cc(c(cc1F)N)C=O 62a_200000210301_200010571964 [1,1,0,0,0,0|1,1,0]=4 4158 B12R1.449 CSc1cc(c(cc1F)N)C=O 62a_200010571964_200000210301 [1,1,0,0,0,0|1,1,0]=4 4159 B12R1.449 CSc1cc(c(cc1F)O)C=O 62a_100010175118_200000210301 [1,1,0,0,0,0|1,1,0]=4 4160 B12R1.449 CSc1cc(c(cc1F)O)C=O 62a_200000210301_100010175118 [1,1,0,0,0,0|1,1,0]=4 4161 B12R1.449 CSc1cc(c(cc1O)O)C=O 62a_200000210301_200010132312 [1,1,0,0,0,0|0,1,0]=3 4162 B12R1.449 Cc1cc(c(cc1S[13CH3])C=O)F 62a_100010138641_200025704644 [1,1,0,0,0,0|0,1,0]=3 4163 B12R1.449 Cc1cc(c(cc1S[13CH3])C=O)F 62a_200025704644_100010138641 [1,1,0,0,0,0|0,1,0]=3 4164 B12R1.449 [13CH3]Sc1cc(c(cc1F)F)C=O 62a_100009814802_200025704644 [1,1,0,0,0,0|1,1,0]=4 4165 B12R1.449 [13CH3]Sc1cc(c(cc1F)F)C=O 62a_200025704644_100009814802 [1,1,0,0,0,0|1,1,0]=4 4166 B12R1.449 [13CH3]Sc1cc(c(cc1F)N)C=O 62a_200010571964_200025704644 [1,1,0,0,0,0|1,1,0]=4 4167 B12R1.449 [13CH3]Sc1cc(c(cc1F)N)C=O 62a_200025704644_200010571964 [1,1,0,0,0,0|1,1,0]=4 4168 B12R1.449 [13CH3]Sc1cc(c(cc1F)O)C=O 62a_100010175118_200025704644 [1,1,0,0,0,0|1,1,0]=4 4169 B12R1.449 [13CH3]Sc1cc(c(cc1F)O)C=O 62a_200025704644_100010175118 [1,1,0,0,0,0|1,1,0]=4 4170 B12R1.449 [13CH3]Sc1cc(c(cc1O)O)C=O 62a_200025704644_200010132312 [1,1,0,0,0,0|0,1,0]=3 4171 B12R1.453 C=C(C)c1cc(ccc1Br)C=O 271570a_100000694244_100010146563 [1,1,0,0,0,0|2,0,0]=4 4172 B12R1.453 C=C(C)c1cc(ccc1C)C=O 271570a_100000694244_100000695567 [1,1,0,0,0,0|1,0,0]=3 4173 B12R1.453 C=C(C)c1cc(ccc1Cl)C=O 271570a_100000694244_100010209939 [1,1,0,0,0,0|2,0,0]=4 4174 B12R1.453 C=C(C)c1cc(ccc1F)C=O 271570a_100000694244_100000211747 [1,1,0,0,0,0|2,0,0]=4 4175 B12R1.453 C=C(C)c1cc(ccc1O)C=O 271570a_100000694244_100000184552 [1,1,0,0,0,0|1,0,0]=3 4176 B12R1.453 C=C(C)c1cc(cnc1O)C=O 271570a_100000694244_100010064886 [1,1,0,0,0,0|2,0,0]=4 4177 B12R1.453 C=C(C)c1cc(ncc1C)C=O 271570a_100000694244_100010174032 [1,1,0,0,0,0|2,0,0]=4 4178 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)C 271570a_100011290941_100012706819 [1,1,0,0,0,0|2,0,0]=4 4179 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)O 271570a_100011290941_100000212127 [1,1,0,0,0,0|2,0,0]=4 4180 B12R1.453 C=Cc1ccc(c(c1)C(C)C)O 271570a_100011290941_100000691460 [1,1,0,0,0,0|2,0,0]=4 4181 B12R1.453 O=Cc1ccc(c(c1)B(O)O)O 271570a_203496583355_100000068294 [1,1,0,0,0,0|2,0,0]=4 4182 B12R1.654 C=Cc1ccc(c(c1F)OC)Cl 271570a_100011290941_200135222481 [1,1,0,0,0,0|2,0,0]=4 4183 B12R1.654 C=Cc1ccc(c(c1F)OC)N 271570a_100011290941_100010734149 [1,1,0,0,0,0|2,0,0]=4 4184 B12R1.654 COc1c(ccc(c1F)C#N)O 271570a_203496583355_200010764284 [1,1,0,0,0,0|1,0,1]=4 4185 B12R1.654 COc1c(ccc(c1F)C=O)O 271570a_203496583355_200010981996 [1,1,0,0,0,0|0,0,0]=2 4186 B12R1.654 COc1ccc(c(c1C)OC)O 271570a_203496583355_100010234078 [1,1,0,0,0,0|2,0,0]=4 4187 B12R1.654 COc1ccc(c(c1F)OC)O 271570a_203496583355_200010341284 [1,1,0,0,0,0|2,0,0]=4 4188 B12R1.654 CSc1c(ccc(c1F)C=O)C 62a_100010381662_200000210301 [1,1,0,0,0,0|0,1,0]=3 4189 B12R1.654 CSc1c(ccc(c1F)C=O)C 62a_200000210301_100010381662 [1,1,0,0,0,0|0,1,0]=3 4190 B12R1.654 CSc1c(ccc(c1F)C=O)F 62a_100000050342_200000210301 [1,1,0,0,0,0|1,1,0]=4 4191 B12R1.654 CSc1c(ccc(c1F)C=O)F 62a_200000210301_100000050342 [1,1,0,0,0,0|1,1,0]=4 4192 B12R1.654 Cc1ccc(c(c1S[13CH3])F)C=O 62a_100010381662_200025704644 [1,1,0,0,0,0|0,1,0]=3 4193 B12R1.654 Cc1ccc(c(c1S[13CH3])F)C=O 62a_200025704644_100010381662 [1,1,0,0,0,0|0,1,0]=3 4194 B12R1.654 [13CH3]Sc1c(ccc(c1F)C=O)F 62a_100000050342_200025704644 [1,1,0,0,0,0|1,1,0]=4 4195 B12R1.654 [13CH3]Sc1c(ccc(c1F)C=O)F 62a_200025704644_100000050342 [1,1,0,0,0,0|1,1,0]=4 4196 B14R1.43 C=C(C)c1ccc(c(c1)OC)C(=O)C 271570a_100000694244_100000709911 [0,2,0,0,0,0|2,0,0]=4 4197 B14R1.43 C=C(C)c1ccc(cc1OC)C(=O)C 271570a_100000694244_100010110075 [0,2,0,0,0,0|1,0,0]=3 4198 B14R1.43 C=C(C)c1ccc(cc1OC)C(=O)N 271570a_100000694244_100009817049 [0,2,0,0,0,0|1,0,0]=3 4199 B14R1.43 CC(=O)c1ccc(c(c1)O[13CH3])[N+](=O)[O-] 7a_100009848971_200025704644 [0,2,0,0,0,0|2,0,0]=4 4200 B14R1.43 COc1cc(ccc1C(=O)C)[N+](=O)[O-] 1458a_100000686327_200000210301 [0,2,0,0,0,0|2,0,0]=4 4201 B14R1.43 COc1cc(ccc1C(=O)[13CH3])[N+](=O)[O-] 1458a_100000686327_200025704644 [0,2,0,0,0,0|2,0,0]=4 4202 B14R1.43 COc1cc(ccc1N(C)C)C(=O)N 27a_100102631434_100009817049 [0,2,0,0,0,0|1,0,0]=3 4203 B14R1.43 COc1cc(ccc1[N+](=O)[O-])C(=O)C 1458a_100000217213_200000210301 [0,2,0,0,0,0|2,0,0]=4 4204 B14R1.43 COc1cc(ccc1[N+](=O)[O-])C(=O)C 7a_100009848971_200000210301 [0,2,0,0,0,0|2,0,0]=4 4205 B14R1.43 COc1cc(ccc1[N+](=O)[O-])C(=O)N 7a_100012185228_200000210301 [0,2,0,0,0,0|2,0,0]=4 4206 B14R1.43 COc1cc(ccc1[N+](=O)[O-])C(=O)[13CH3] 1458a_100000217213_200025704644 [0,2,0,0,0,0|2,0,0]=4 4207 B14R1.43 [13CH3]Oc1cc(ccc1[N+](=O)[O-])C(=O)N 7a_100012185228_200025704644 [0,2,0,0,0,0|2,0,0]=4 4208 B14R1.104 C=C(C)c1cc(ccc1N(C)C)C=O 271570a_100000694244_200011298039 [0,2,0,0,0,0|2,0,0]=4 4209 B14R1.105 C=Cc1ccc(c(c1)OC)S(=O)(=O)C 271570a_100011290941_100010732494 [0,2,0,0,0,0|1,1,0]=4 4210 B14R1.105 CS(=O)(=O)c1ccc(cc1S[13CH3])C=O 62a_100010174260_200025704644 [0,2,0,0,0,0|0,2,0]=4 4211 B14R1.105 CS(=O)(=O)c1ccc(cc1S[13CH3])C=O 62a_200025704644_100010174260 [0,2,0,0,0,0|0,2,0]=4 4212 B14R1.105 CSc1cc(ccc1S(=O)(=O)C)C=O 62a_100010174260_200000210301 [0,2,0,0,0,0|0,2,0]=4 4213 B14R1.105 CSc1cc(ccc1S(=O)(=O)C)C=O 62a_200000210301_100010174260 [0,2,0,0,0,0|0,2,0]=4 4214 B14R1.492 C=C=Cc1ccc(c(c1)OC)C(=O)C 271570a_100015277604_100000709911 [0,2,0,0,0,0|2,0,0]=4 4215 B14R1.492 CC=Cc1ccc(c(c1)OC)C(=O)C 271570a_100016259895_100000709911 [0,2,0,0,0,0|2,0,0]=4 4216 B14R1.2293 C=C(C)c1cc(c(cc1OC)C=O)F 271570a_100000694244_100000695681 [0,2,0,0,0,0|1,0,0]=3 4217 B14R1.2293 C=C(C)c1cc(c(cc1OC)C=O)O 271570a_100000694244_100010762608 [0,2,0,0,0,0|1,0,0]=3 4218 B14R1.2320 C=C(C)c1ccc(c(c1OC)F)C=O 271570a_100000694244_200010981996 [0,2,0,0,0,0|1,0,0]=3 4219 B14R1.2334 C=Cc1cc(c(cn1)C(=O)OC)OC 271570a_100011290941_100010062786 [0,2,0,0,0,0|2,0,0]=4 4220 B14R1.2334 C=Cc1cc(ccc1C(=O)OC)C=O 271570a_100011290941_100010630601 [0,2,0,0,0,0|1,0,1]=4 4221 B14R1.2334 C=Cc1ccc(c(c1)NC)C(=O)OC 271570a_100011290941_200160487225 [0,2,0,0,0,0|2,0,0]=4 4222 B14R1.2334 C=Cc1ccc(c(c1)OC)C(=O)OC 271570a_100011290941_100000708095 [0,2,0,0,0,0|1,0,0]=3 4223 B14R1.2334 C=Cc1ccc(c(n1)OC)C(=O)OC 271570a_100011290941_100000703831 [0,2,0,0,0,0|2,0,0]=4 4224 B14R1.2334 C=Cc1cnc(c(c1)OC)C(=O)OC 271570a_100011290941_100010254911 [0,2,0,0,0,0|2,0,0]=4 4225 B14R1.2334 COC(=O)c1ccc(cc1OC)OC 34a_100000082606_200000210301 [0,2,0,0,0,0|2,0,0]=4 4226 B14R1.2334 COC(=O)c1ccc(cc1OC)OC 34a_100000151117_200000210301 [0,2,0,0,0,0|2,0,0]=4 4227 B14R1.2334 COC(=O)c1ccc(cc1OC)OC 7a_100000082606_200000210301 [0,2,0,0,0,0|2,0,0]=4 4228 B14R1.2334 COC(=O)c1ccc(cc1OC)OC 7a_100000151117_200000210301 [0,2,0,0,0,0|2,0,0]=4 4229 B14R1.2334 COC(=O)c1ccc(cc1OC)O[13CH3] 34a_100000082606_200025704644 [0,2,0,0,0,0|2,0,0]=4 4230 B14R1.2334 COC(=O)c1ccc(cc1OC)O[13CH3] 7a_100000082606_200025704644 [0,2,0,0,0,0|2,0,0]=4 4231 B14R1.2334 COC(=O)c1ccc(cc1OC)SC 62a_100000708095_200000210301 [0,2,0,0,0,0|2,0,0]=4 4232 B14R1.2334 COC(=O)c1ccc(cc1OC)S[13CH3] 62a_100000708095_200025704644 [0,2,0,0,0,0|2,0,0]=4 4233 B14R1.2334 COC(=O)c1ccc(cc1O[13CH3])OC 34a_100000151117_200025704644 [0,2,0,0,0,0|2,0,0]=4 4234 B14R1.2334 COC(=O)c1ccc(cc1O[13CH3])OC 7a_100000151117_200025704644 [0,2,0,0,0,0|2,0,0]=4 4235 B14R1.2334 COC(=O)c1ccc(cc1SC)C=O 62a_100010630601_200000210301 [0,2,0,0,0,0|0,1,0]=3 4236 B14R1.2334 COC(=O)c1ccc(cc1SC)C=O 62a_200000210301_100010630601 [0,2,0,0,0,0|0,1,0]=3 4237 B14R1.2334 COC(=O)c1ccc(cc1S[13CH3])C=O 62a_100010630601_200025704644 [0,2,0,0,0,0|0,1,0]=3 4238 B14R1.2334 COC(=O)c1ccc(cc1S[13CH3])C=O 62a_200025704644_100010630601 [0,2,0,0,0,0|0,1,0]=3 4239 B14R1.2334 COC(=O)c1ccc(nc1SC)C=O 62a_200000210301_200009848447 [0,2,0,0,0,0|1,1,0]=4 4240 B14R1.2334 COC(=O)c1ccc(nc1SC)C=O 62a_200009848447_200000210301 [0,2,0,0,0,0|1,1,0]=4 4241 B14R1.2334 COC(=O)c1ccc(nc1S[13CH3])C=O 62a_200009848447_200025704644 [0,2,0,0,0,0|1,1,0]=4 4242 B14R1.2334 COC(=O)c1ccc(nc1S[13CH3])C=O 62a_200025704644_200009848447 [0,2,0,0,0,0|1,1,0]=4 4243 B14R1.5121 C=C(C)c1ccc(cc1OCC)C=O 271570a_100000694244_200010381951 [0,2,0,0,0,0|1,0,0]=3 4244 B14R1.5121 CC=Cc1cc(ccc1N(C)C)C=O 271570a_100016259895_200011298039 [0,2,0,0,0,0|2,0,0]=4 4245 B14R1.5121 CCSc1cc(ccc1N(C)C)C=O 62a_100000210202_200011298039 [0,2,0,0,0,0|1,1,0]=4 4246 B14R1.5121 CCSc1cc(ccc1N(C)C)C=O 62a_200011298039_100000210202 [0,2,0,0,0,0|1,1,0]=4 4247 B14R1.5121 CN(C)c1ccc(cc1SCF)C=O 62a_100015361967_200011298039 [0,2,0,0,0,0|1,1,0]=4 4248 B14R1.5121 CN(C)c1ccc(cc1SCF)C=O 62a_200011298039_100015361967 [0,2,0,0,0,0|1,1,0]=4 4249 B14R1.441 C=C(C)c1ccc(c(c1)CCN)OC 271570a_100000694244_100000763266 [0,2,0,0,0,0|2,0,0]=4 4250 B14R1.441 C=C(C)c1ccc(c(c1)CNC)OC 271570a_100000694244_100000690607 [0,2,0,0,0,0|2,0,0]=4 4251 B14R1.441 C=C(C)c1ccc(c(c1)COC)OC 271570a_100000694244_200011493686 [0,2,0,0,0,0|1,0,0]=3 4252 B14R1.441 C=C(C)c1ccc(c(c1)OCC)OC 271570a_100000694244_200010219349 [0,2,0,0,0,0|1,0,0]=3 4253 B14R1.441 C=C=Cc1cc(ccc1OC)C(=O)C 271570a_100015277604_100000185153 [0,2,0,0,0,0|1,0,1]=4 4254 B14R1.441 C=CCc1cc(ccc1OC)C(=O)C 7a_200000038806_200000210301 [0,2,0,0,0,0|1,0,1]=4 4255 B14R1.441 C=CCc1cc(ccc1O[13CH3])C(=O)C 7a_200000038806_200025704644 [0,2,0,0,0,0|1,0,1]=4 4256 B14R1.441 CC=Cc1cc(ccc1OC)C(=O)C 271570a_100016259895_100000185153 [0,2,0,0,0,0|1,0,0]=3 4257 B14R1.441 CCNc1cc(ccc1OC)C(=O)N 34a_100000740584_100000210202 [0,2,0,0,0,0|1,0,0]=3 4258 B14R1.441 CCNc1cc(ccc1OC)[N+](=O)[O-] 34a_100000738153_100000210202 [0,2,0,0,0,0|2,0,0]=4 4259 B14R1.441 CCOc1cc(ccc1OC)C(=O)C 1458a_100000181421_200000210301 [0,2,0,0,0,0|0,0,0]=2 4260 B14R1.441 CCOc1cc(ccc1OC)C(=O)C 34a_100000732934_100000210202 [0,2,0,0,0,0|0,0,0]=2 4261 B14R1.441 CCOc1cc(ccc1OC)C(=O)C 7a_100000732934_100000210202 [0,2,0,0,0,0|0,0,0]=2 4262 B14R1.441 CCOc1cc(ccc1OC)C(=O)[13CH3] 1458a_100000181421_200025704644 [0,2,0,0,0,0|0,0,0]=2 4263 B14R1.441 CCOc1cc(ccc1OC)[N+](=O)[O-] 34a_100000211812_100000210202 [0,2,0,0,0,0|1,0,0]=3 4264 B14R1.441 CCOc1cc(ccc1OC)[N+](=O)[O-] 7a_100000211812_100000210202 [0,2,0,0,0,0|1,0,0]=3 4265 B14R1.441 CCSc1cc(ccc1OC)C(=O)C 62a_100000185153_100000210202 [0,2,0,0,0,0|0,1,0]=3 4266 B14R1.441 CCSc1cc(ccc1OC)C(=O)C 62a_100000210202_100000039561 [0,2,0,0,0,0|0,1,0]=3 4267 B14R1.441 CNCc1cc(ccc1OC)C(=O)C 2230a_106832991635_100000199119 [0,2,0,0,0,0|1,0,0]=3 4268 B14R1.441 CNCc1cc(ccc1OC)C(=O)C 26a_100102657272_100000732934 [0,2,0,0,0,0|1,0,0]=3 4269 B14R1.441 CNCc1cc(ccc1OC)C(=O)C 34a_100102657272_100000199119 [0,2,0,0,0,0|1,0,0]=3 4270 B14R1.441 CNCc1cc(ccc1OC)C(=O)C 7a_106832991635_100000199119 [0,2,0,0,0,0|1,0,0]=3 4271 B14R1.441 CNCc1cc(ccc1OC)[N+](=O)[O-] 2230a_106832991635_100011216416 [0,2,0,0,0,0|2,0,0]=4 4272 B14R1.441 CNCc1cc(ccc1OC)[N+](=O)[O-] 26a_100102657272_100000211812 [0,2,0,0,0,0|2,0,0]=4 4273 B14R1.441 CNCc1cc(ccc1OC)[N+](=O)[O-] 270004a_106832991635_100000156028 [0,2,0,0,0,0|2,0,0]=4 4274 B14R1.441 CNCc1cc(ccc1OC)[N+](=O)[O-] 34a_100102657272_100011216416 [0,2,0,0,0,0|2,0,0]=4 4275 B14R1.441 CNCc1cc(ccc1OC)[N+](=O)[O-] 7a_106832991635_100011216416 [0,2,0,0,0,0|2,0,0]=4 4276 B14R1.441 COCc1cc(ccc1OC)C(=O)C 34a_100138415774_100000199119 [0,2,0,0,0,0|0,0,0]=2 4277 B14R1.441 COCc1cc(ccc1OC)C(=O)C 7a_100000246370_200000210301 [0,2,0,0,0,0|0,0,0]=2 4278 B14R1.441 COCc1cc(ccc1OC)[N+](=O)[O-] 34a_100011247973_200000210301 [0,2,0,0,0,0|1,0,0]=3 4279 B14R1.441 COCc1cc(ccc1OC)[N+](=O)[O-] 34a_100138415774_100011216416 [0,2,0,0,0,0|1,0,0]=3 4280 B14R1.441 COCc1cc(ccc1OC)[N+](=O)[O-] 7a_100011247973_200000210301 [0,2,0,0,0,0|1,0,0]=3 4281 B14R1.441 COc1ccc(cc1CO[13CH3])C(=O)C 7a_100000246370_200025704644 [0,2,0,0,0,0|0,0,0]=2 4282 B14R1.441 COc1ccc(cc1CO[13CH3])[N+](=O)[O-] 34a_100011247973_200025704644 [0,2,0,0,0,0|1,0,0]=3 4283 B14R1.441 COc1ccc(cc1CO[13CH3])[N+](=O)[O-] 7a_100011247973_200025704644 [0,2,0,0,0,0|1,0,0]=3 4284 B14R1.441 COc1ccc(cc1CSC)C(=O)C 62a_100000199119_200000210301 [0,2,0,0,0,0|0,1,0]=3 4285 B14R1.441 COc1ccc(cc1CSC)C(=O)C 62a_200000210301_100000199119 [0,2,0,0,0,0|0,1,0]=3 4286 B14R1.441 COc1ccc(cc1CS[13CH3])C(=O)C 62a_100000199119_200025704644 [0,2,0,0,0,0|0,1,0]=3 4287 B14R1.441 COc1ccc(cc1CS[13CH3])C(=O)C 62a_200025704644_100000199119 [0,2,0,0,0,0|0,1,0]=3 4288 B14R1.441 COc1ccc(cc1NCF)C(=O)N 34a_100000740584_100015361967 [0,2,0,0,0,0|1,0,0]=3 4289 B14R1.441 COc1ccc(cc1NCF)[N+](=O)[O-] 34a_100000738153_100015361967 [0,2,0,0,0,0|2,0,0]=4 4290 B14R1.441 COc1ccc(cc1OCF)C(=O)C 34a_100000732934_100015361967 [0,2,0,0,0,0|0,0,0]=2 4291 B14R1.441 COc1ccc(cc1OCF)C(=O)C 7a_100000732934_100015361967 [0,2,0,0,0,0|0,0,0]=2 4292 B14R1.441 COc1ccc(cc1OCF)[N+](=O)[O-] 34a_100000211812_100015361967 [0,2,0,0,0,0|1,0,0]=3 4293 B14R1.441 COc1ccc(cc1OCF)[N+](=O)[O-] 7a_100000211812_100015361967 [0,2,0,0,0,0|1,0,0]=3 4294 B14R1.441 COc1ccc(cc1SCF)C(=O)C 62a_100000185153_100015361967 [0,2,0,0,0,0|0,1,0]=3 4295 B14R1.441 COc1ccc(cc1SCF)C(=O)C 62a_100015361967_100000039561 [0,2,0,0,0,0|0,1,0]=3 4296 B14R1.759 C#CCOc1cc(ccc1OC)C#N 34a_100000188611_100000184674 [0,2,0,0,0,0|1,0,1]=4 4297 B14R1.759 C#CCOc1cc(ccc1OC)C#N 7a_100000188611_100000038162 [0,2,0,0,0,0|1,0,1]=4 4298 B14R1.759 C#CCOc1cc(ccc1OC)CC 34a_100009844796_100000184674 [0,2,0,0,0,0|1,0,1]=4 4299 B14R1.759 C#CCOc1cc(ccc1OC)CC 7a_100009844796_100000038162 [0,2,0,0,0,0|1,0,1]=4 4300 B14R1.759 C#CCOc1cc(ccc1OC)CN 34a_100000740000_100000184674 [0,2,0,0,0,0|1,0,1]=4 4301 B14R1.759 C#CCOc1cc(ccc1OC)CO 34a_100011215239_100000184674 [0,2,0,0,0,0|0,0,2]=4 4302 B14R1.759 C#CCOc1cc(ccc1OC)OC 34a_100000074795_100000184674 [0,2,0,0,0,0|2,0,0]=4 4303 B14R1.759 C#CCSc1cc(ccc1NC)C=O 62a_100000038162_200010290468 [0,2,0,0,0,0|1,1,0]=4 4304 B14R1.759 C#CCSc1cc(ccc1OC)C=O 62a_100000038162_100000173361 [0,2,0,0,0,0|0,1,0]=3 4305 B14R1.759 C#CCSc1cc(cnc1OC)C=O 62a_100000038162_200010064893 [0,2,0,0,0,0|1,1,0]=4 4306 B14R1.759 C#CCSc1cc(ncc1OC)C=O 62a_100000038162_100010893078 [0,2,0,0,0,0|1,1,0]=4 4307 B14R1.759 C#CCSc1nc(ccc1OC)C=O 62a_100000038162_100010174741 [0,2,0,0,0,0|1,1,0]=4 4308 B14R1.759 C=CCOc1cc(ccc1OC)C#N 34a_100000188611_100015514636 [0,2,0,0,0,0|1,0,1]=4 4309 B14R1.759 C=CCOc1cc(ccc1OC)C#N 7a_100000188611_100015514636 [0,2,0,0,0,0|1,0,1]=4 4310 B14R1.759 C=CCOc1cc(ccc1OC)CC 34a_100009844796_100015514636 [0,2,0,0,0,0|1,0,1]=4 4311 B14R1.759 C=CCOc1cc(ccc1OC)CC 7a_100009844796_100015514636 [0,2,0,0,0,0|1,0,1]=4 4312 B14R1.759 C=CCOc1cc(ccc1OC)CN 34a_100000740000_100015514636 [0,2,0,0,0,0|1,0,1]=4 4313 B14R1.759 C=CCOc1cc(ccc1OC)CO 34a_100011215239_100015514636 [0,2,0,0,0,0|0,0,2]=4 4314 B14R1.759 C=CCOc1cc(ccc1OC)OC 34a_100000074795_100015514636 [0,2,0,0,0,0|2,0,0]=4 4315 B14R1.759 C=CCSc1cc(ccc1NC)C=O 62a_100000210623_200010290468 [0,2,0,0,0,0|1,1,0]=4 4316 B14R1.759 C=CCSc1cc(ccc1NC)C=O 62a_200010290468_100000210623 [0,2,0,0,0,0|1,1,0]=4 4317 B14R1.759 C=CCSc1cc(ccc1OC)C=O 62a_100000173361_100000210623 [0,2,0,0,0,0|0,1,0]=3 4318 B14R1.759 C=CCSc1cc(ccc1OC)C=O 62a_100000210623_100000173361 [0,2,0,0,0,0|0,1,0]=3 4319 B14R1.759 C=CCSc1cc(cnc1OC)C=O 62a_100000210623_200010064893 [0,2,0,0,0,0|1,1,0]=4 4320 B14R1.759 C=CCSc1cc(cnc1OC)C=O 62a_200010064893_100000210623 [0,2,0,0,0,0|1,1,0]=4 4321 B14R1.759 C=CCSc1cc(ncc1OC)C=O 62a_100000210623_100010893078 [0,2,0,0,0,0|1,1,0]=4 4322 B14R1.759 C=CCSc1cc(ncc1OC)C=O 62a_100010893078_100000210623 [0,2,0,0,0,0|1,1,0]=4 4323 B14R1.759 C=CCSc1nc(ccc1OC)C=O 62a_100000210623_100010174741 [0,2,0,0,0,0|1,1,0]=4 4324 B14R1.759 C=CCSc1nc(ccc1OC)C=O 62a_100010174741_100000210623 [0,2,0,0,0,0|1,1,0]=4 4325 B14R1.759 C=Cc1ccc(c(c1)CNCC)OC 271570a_100011290941_100015182949 [0,2,0,0,0,0|2,0,0]=4 4326 B14R1.759 C=Cc1ccc(c(c1)OCC#N)OC 271570a_100011290941_200010203062 [0,2,0,0,0,0|1,0,0]=3 4327 B14R1.759 CCCCc1cc(ccc1NC)C=O 271570a_100020621405_200010290468 [0,2,0,0,0,0|2,0,0]=4 4328 B14R1.759 CCCCc1cc(ccc1OC)C=O 271570a_100020621405_100000173361 [0,2,0,0,0,0|1,0,0]=3 4329 B14R1.759 CCCCc1cc(cnc1OC)C=O 271570a_100020621405_200010064893 [0,2,0,0,0,0|2,0,0]=4 4330 B14R1.759 CCCCc1cc(ncc1OC)C=O 271570a_100020621405_100010893078 [0,2,0,0,0,0|2,0,0]=4 4331 B14R1.759 CCCCc1nc(ccc1OC)C=O 271570a_100020621405_100010174741 [0,2,0,0,0,0|2,0,0]=4 4332 B14R1.759 CCCOc1cc(ccc1OC)C#N 34a_100000188611_100000210303 [0,2,0,0,0,0|1,0,1]=4 4333 B14R1.759 CCCOc1cc(ccc1OC)C#N 7a_100000188611_100000210303 [0,2,0,0,0,0|1,0,1]=4 4334 B14R1.759 CCCOc1cc(ccc1OC)CC 34a_100009844796_100000210303 [0,2,0,0,0,0|1,0,1]=4 4335 B14R1.759 CCCOc1cc(ccc1OC)CC 7a_100009844796_100000210303 [0,2,0,0,0,0|1,0,1]=4 4336 B14R1.759 CCCOc1cc(ccc1OC)CN 34a_100000740000_100000210303 [0,2,0,0,0,0|1,0,1]=4 4337 B14R1.759 CCCOc1cc(ccc1OC)CO 34a_100011215239_100000210303 [0,2,0,0,0,0|0,0,2]=4 4338 B14R1.759 CCCOc1cc(ccc1OC)OC 34a_100000074795_100000210303 [0,2,0,0,0,0|2,0,0]=4 4339 B14R1.759 CCCSc1cc(ccc1NC)C=O 62a_100000210303_200010290468 [0,2,0,0,0,0|1,1,0]=4 4340 B14R1.759 CCCSc1cc(ccc1NC)C=O 62a_200010290468_100000210303 [0,2,0,0,0,0|1,1,0]=4 4341 B14R1.759 CCCSc1cc(ccc1OC)C=O 62a_100000173361_100000210303 [0,2,0,0,0,0|0,1,0]=3 4342 B14R1.759 CCCSc1cc(ccc1OC)C=O 62a_100000210303_100000173361 [0,2,0,0,0,0|0,1,0]=3 4343 B14R1.759 CCCSc1cc(cnc1OC)C=O 62a_100000210303_200010064893 [0,2,0,0,0,0|1,1,0]=4 4344 B14R1.759 CCCSc1cc(cnc1OC)C=O 62a_200010064893_100000210303 [0,2,0,0,0,0|1,1,0]=4 4345 B14R1.759 CCCSc1cc(ncc1OC)C=O 62a_100000210303_100010893078 [0,2,0,0,0,0|1,1,0]=4 4346 B14R1.759 CCCSc1cc(ncc1OC)C=O 62a_100010893078_100000210303 [0,2,0,0,0,0|1,1,0]=4 4347 B14R1.759 CCCSc1nc(ccc1OC)C=O 62a_100000210303_100010174741 [0,2,0,0,0,0|1,1,0]=4 4348 B14R1.759 CCCSc1nc(ccc1OC)C=O 62a_100010174741_100000210303 [0,2,0,0,0,0|1,1,0]=4 4349 B14R1.759 CCNCc1cc(ccc1OC)C=O 2230a_100015525214_100000028394 [0,2,0,0,0,0|1,0,0]=3 4350 B14R1.759 CCOCc1cc(ccc1OC)C=O 34a_100121572206_100000028394 [0,2,0,0,0,0|0,0,0]=2 4351 B14R1.759 CCOCc1cc(ccc1OC)OC 34a_100000212306_100000210202 [0,2,0,0,0,0|2,0,0]=4 4352 B14R1.759 CCOCc1cc(ccc1OC)OC 34a_100121572206_100011233847 [0,2,0,0,0,0|2,0,0]=4 4353 B14R1.759 CCSCc1cc(ccc1OC)C=O 62a_100000028394_100000210202 [0,2,0,0,0,0|0,1,0]=3 4354 B14R1.759 CCSCc1cc(ccc1OC)C=O 62a_100000210202_100000028394 [0,2,0,0,0,0|0,1,0]=3 4355 B14R1.759 CCc1ccc(c(c1)NCOC)OC 2230a_100012035449_100000766300 [0,2,0,0,0,0|1,0,1]=4 4356 B14R1.759 CCc1ccc(c(c1)OCC#N)OC 7a_100009844796_100011215382 [0,2,0,0,0,0|1,0,1]=4 4357 B14R1.759 CCc1ccc(c(c1)OCC=O)OC 34a_100009844796_200009817547 [0,2,0,0,0,0|1,0,1]=4 4358 B14R1.759 CCc1ccc(c(c1)OCC=O)OC 7a_100009844796_200015260668 [0,2,0,0,0,0|1,0,1]=4 4359 B14R1.759 CCc1ccc(c(c1)OCCF)OC 34a_100009844796_100011217306 [0,2,0,0,0,0|1,0,1]=4 4360 B14R1.759 CCc1ccc(c(c1)OCCF)OC 7a_100009844796_100011217306 [0,2,0,0,0,0|1,0,1]=4 4361 B14R1.759 CCc1ccc(c(c1)OCCO)OC 34a_100009844796_100000211926 [0,2,0,0,0,0|1,0,1]=4 4362 B14R1.759 CCc1ccc(c(c1)OCCO)OC 7a_100009844796_100000211926 [0,2,0,0,0,0|1,0,1]=4 4363 B14R1.759 CCc1ccc(c(c1)OCSC)OC 34a_100009844796_100011218213 [0,2,0,0,0,0|1,0,1]=4 4364 B14R1.759 CCc1ccc(c(c1)SCOC)OC 62a_100000766300_100010062400 [0,2,0,0,0,0|1,0,1]=4 4365 B14R1.759 CCc1ccc(c(c1)SCOC)OC 62a_100010062400_100000766300 [0,2,0,0,0,0|1,0,1]=4 4366 B14R1.759 CNc1ccc(c(c1)SCOC)OC 62a_100000766300_114948341033 [0,2,0,0,0,0|2,0,0]=4 4367 B14R1.759 CNc1ccc(c(c1)SCOC)OC 62a_114948341033_100000766300 [0,2,0,0,0,0|2,0,0]=4 4368 B14R1.759 CNc1ccc(cc1SCC#N)C=O 62a_100011215382_200010290468 [0,2,0,0,0,0|1,1,0]=4 4369 B14R1.759 CNc1ccc(cc1SCC#N)C=O 62a_200010290468_100011215382 [0,2,0,0,0,0|1,1,0]=4 4370 B14R1.759 CNc1ccc(cc1SCC=O)C=O 62a_200010290468_200015260668 [0,2,0,0,0,0|1,1,0]=4 4371 B14R1.759 CNc1ccc(cc1SCC=O)C=O 62a_200015260668_200010290468 [0,2,0,0,0,0|1,1,0]=4 4372 B14R1.759 CNc1ccc(cc1SCCF)C=O 62a_100011217306_200010290468 [0,2,0,0,0,0|1,1,0]=4 4373 B14R1.759 CNc1ccc(cc1SCCF)C=O 62a_200010290468_100011217306 [0,2,0,0,0,0|1,1,0]=4 4374 B14R1.759 CNc1ccc(cc1SCCO)C=O 62a_100000211926_200010290468 [0,2,0,0,0,0|1,1,0]=4 4375 B14R1.759 CNc1ccc(cc1SCCO)C=O 62a_200010290468_100000211926 [0,2,0,0,0,0|1,1,0]=4 4376 B14R1.759 CNc1ccc(cc1SCOC)C=O 62a_100000766300_200010290468 [0,2,0,0,0,0|1,0,0]=3 4377 B14R1.759 CNc1ccc(cc1SCOC)C=O 62a_200010290468_100000766300 [0,2,0,0,0,0|1,0,0]=3 4378 B14R1.759 CNc1ccc(cc1SCSC)C=O 62a_100011218213_200010290468 [0,2,0,0,0,0|1,1,0]=4 4379 B14R1.759 CNc1ccc(cc1SCSC)C=O 62a_200010290468_100011218213 [0,2,0,0,0,0|1,1,0]=4 4380 B14R1.759 COCNc1cc(ccc1OC)CO 2230a_100011269841_100000766300 [0,2,0,0,0,0|0,0,2]=4 4381 B14R1.759 COCNc1cc(ccc1OC)OC 2230a_100000184736_100000766300 [0,2,0,0,0,0|2,0,0]=4 4382 B14R1.759 COCSc1cc(ccc1C#N)C=O 62a_100000766300_100012355660 [0,2,0,0,0,0|2,0,0]=4 4383 B14R1.759 COCSc1cc(ccc1C=O)C=O 62a_100000766300_100015597013 [0,2,0,0,0,0|2,0,0]=4 4384 B14R1.759 COCSc1cc(ccc1C=O)C=O 62a_100015597013_100000766300 [0,2,0,0,0,0|2,0,0]=4 4385 B14R1.759 COCSc1cc(ccc1OC)C#N 62a_100000766300_100000188253 [0,2,0,0,0,0|1,0,1]=4 4386 B14R1.759 COCSc1cc(ccc1OC)C=O 62a_100000173361_100000766300 [0,2,0,0,0,0|0,0,0]=2 4387 B14R1.759 COCSc1cc(ccc1OC)C=O 62a_100000766300_100000173361 [0,2,0,0,0,0|0,0,0]=2 4388 B14R1.759 COCSc1cc(ccc1OC)CN 62a_100000766300_100159240714 [0,2,0,0,0,0|1,0,1]=4 4389 B14R1.759 COCSc1cc(ccc1OC)CN 62a_100159240714_100000766300 [0,2,0,0,0,0|1,0,1]=4 4390 B14R1.759 COCSc1cc(ccc1OC)CO 62a_100000246451_100000766300 [0,2,0,0,0,0|0,0,2]=4 4391 B14R1.759 COCSc1cc(ccc1OC)CO 62a_100000766300_100000246451 [0,2,0,0,0,0|0,0,2]=4 4392 B14R1.759 COCSc1cc(ccc1OC)OC 62a_100000766300_100011215452 [0,2,0,0,0,0|2,0,0]=4 4393 B14R1.759 COCSc1cc(ccc1OC)OC 62a_100011215452_100000766300 [0,2,0,0,0,0|2,0,0]=4 4394 B14R1.759 COCSc1cc(cnc1OC)C=O 62a_100000766300_200010064893 [0,2,0,0,0,0|1,0,0]=3 4395 B14R1.759 COCSc1cc(cnc1OC)C=O 62a_200010064893_100000766300 [0,2,0,0,0,0|1,0,0]=3 4396 B14R1.759 COCSc1cc(ncc1OC)C=O 62a_100000766300_100010893078 [0,2,0,0,0,0|1,0,0]=3 4397 B14R1.759 COCSc1cc(ncc1OC)C=O 62a_100010893078_100000766300 [0,2,0,0,0,0|1,0,0]=3 4398 B14R1.759 COCSc1nc(ccc1OC)C=O 62a_100000766300_100010174741 [0,2,0,0,0,0|1,0,0]=3 4399 B14R1.759 COCSc1nc(ccc1OC)C=O 62a_100010174741_100000766300 [0,2,0,0,0,0|1,0,0]=3 4400 B14R1.759 COc1ccc(c(c1)COCF)OC 34a_100000212306_100015361967 [0,2,0,0,0,0|2,0,0]=4 4401 B14R1.759 COc1ccc(c(c1)OCC=O)OC 34a_100000074795_200009817547 [0,2,0,0,0,0|2,0,0]=4 4402 B14R1.759 COc1ccc(c(c1)OCCF)OC 34a_100000074795_100011217306 [0,2,0,0,0,0|2,0,0]=4 4403 B14R1.759 COc1ccc(c(c1)OCCO)OC 34a_100000074795_100000211926 [0,2,0,0,0,0|2,0,0]=4 4404 B14R1.759 COc1ccc(c(c1)OCSC)OC 34a_100000074795_100011218213 [0,2,0,0,0,0|2,0,0]=4 4405 B14R1.759 COc1ccc(cc1CSCF)C=O 62a_100000028394_100015361967 [0,2,0,0,0,0|0,1,0]=3 4406 B14R1.759 COc1ccc(cc1CSCF)C=O 62a_100015361967_100000028394 [0,2,0,0,0,0|0,1,0]=3 4407 B14R1.759 COc1ccc(cc1OCC#N)C#N 7a_100000188611_100011215382 [0,2,0,0,0,0|1,0,1]=4 4408 B14R1.759 COc1ccc(cc1OCC#N)SC 62a_200000210301_200010203062 [0,2,0,0,0,0|2,0,0]=4 4409 B14R1.759 COc1ccc(cc1OCC#N)SC 62a_200010203062_200000210301 [0,2,0,0,0,0|2,0,0]=4 4410 B14R1.759 COc1ccc(cc1OCC#N)S[13CH3] 62a_200010203062_200025704644 [0,2,0,0,0,0|2,0,0]=4 4411 B14R1.759 COc1ccc(cc1OCC#N)S[13CH3] 62a_200025704644_200010203062 [0,2,0,0,0,0|2,0,0]=4 4412 B14R1.759 COc1ccc(cc1OCC=O)C#N 34a_100000188611_200009817547 [0,2,0,0,0,0|1,0,1]=4 4413 B14R1.759 COc1ccc(cc1OCC=O)C#N 7a_100000188611_200015260668 [0,2,0,0,0,0|1,0,1]=4 4414 B14R1.759 COc1ccc(cc1OCC=O)CN 34a_100000740000_200009817547 [0,2,0,0,0,0|1,0,1]=4 4415 B14R1.759 COc1ccc(cc1OCC=O)CO 34a_100011215239_200009817547 [0,2,0,0,0,0|0,0,2]=4 4416 B14R1.759 COc1ccc(cc1OCCF)C#N 34a_100000188611_100011217306 [0,2,0,0,0,0|1,0,1]=4 4417 B14R1.759 COc1ccc(cc1OCCF)C#N 7a_100000188611_100011217306 [0,2,0,0,0,0|1,0,1]=4 4418 B14R1.759 COc1ccc(cc1OCCF)CN 34a_100000740000_100011217306 [0,2,0,0,0,0|1,0,1]=4 4419 B14R1.759 COc1ccc(cc1OCCF)CO 34a_100011215239_100011217306 [0,2,0,0,0,0|0,0,2]=4 4420 B14R1.759 COc1ccc(cc1OCCO)C#N 34a_100000188611_100000211926 [0,2,0,0,0,0|1,0,1]=4 4421 B14R1.759 COc1ccc(cc1OCCO)C#N 7a_100000188611_100000211926 [0,2,0,0,0,0|1,0,1]=4 4422 B14R1.759 COc1ccc(cc1OCCO)CN 34a_100000740000_100000211926 [0,2,0,0,0,0|1,0,1]=4 4423 B14R1.759 COc1ccc(cc1OCCO)CO 34a_100011215239_100000211926 [0,2,0,0,0,0|0,0,2]=4 4424 B14R1.759 COc1ccc(cc1OCSC)C#N 34a_100000188611_100011218213 [0,2,0,0,0,0|1,0,1]=4 4425 B14R1.759 COc1ccc(cc1OCSC)CN 34a_100000740000_100011218213 [0,2,0,0,0,0|1,0,1]=4 4426 B14R1.759 COc1ccc(cc1OCSC)CO 34a_100011215239_100011218213 [0,2,0,0,0,0|0,0,2]=4 4427 B14R1.759 COc1ccc(cc1SCC#N)C=O 62a_100000173361_100011215382 [0,2,0,0,0,0|0,1,0]=3 4428 B14R1.759 COc1ccc(cc1SCC#N)C=O 62a_100011215382_100000173361 [0,2,0,0,0,0|0,1,0]=3 4429 B14R1.759 COc1ccc(cc1SCC=O)C=O 62a_100000173361_200015260668 [0,2,0,0,0,0|0,1,0]=3 4430 B14R1.759 COc1ccc(cc1SCC=O)C=O 62a_200015260668_100000173361 [0,2,0,0,0,0|0,1,0]=3 4431 B14R1.759 COc1ccc(cc1SCCF)C=O 62a_100000173361_100011217306 [0,2,0,0,0,0|0,1,0]=3 4432 B14R1.759 COc1ccc(cc1SCCF)C=O 62a_100011217306_100000173361 [0,2,0,0,0,0|0,1,0]=3 4433 B14R1.759 COc1ccc(cc1SCCO)C=O 62a_100000173361_100000211926 [0,2,0,0,0,0|0,1,0]=3 4434 B14R1.759 COc1ccc(cc1SCCO)C=O 62a_100000211926_100000173361 [0,2,0,0,0,0|0,1,0]=3 4435 B14R1.759 COc1ccc(cc1SCSC)C=O 62a_100000173361_100011218213 [0,2,0,0,0,0|0,1,0]=3 4436 B14R1.759 COc1ccc(cc1SCSC)C=O 62a_100011218213_100000173361 [0,2,0,0,0,0|0,1,0]=3 4437 B14R1.759 COc1ccc(nc1SCC#N)C=O 62a_100010174741_100011215382 [0,2,0,0,0,0|1,1,0]=4 4438 B14R1.759 COc1ccc(nc1SCC#N)C=O 62a_100011215382_100010174741 [0,2,0,0,0,0|1,1,0]=4 4439 B14R1.759 COc1ccc(nc1SCC=O)C=O 62a_100010174741_200015260668 [0,2,0,0,0,0|1,1,0]=4 4440 B14R1.759 COc1ccc(nc1SCC=O)C=O 62a_200015260668_100010174741 [0,2,0,0,0,0|1,1,0]=4 4441 B14R1.759 COc1ccc(nc1SCCF)C=O 62a_100010174741_100011217306 [0,2,0,0,0,0|1,1,0]=4 4442 B14R1.759 COc1ccc(nc1SCCF)C=O 62a_100011217306_100010174741 [0,2,0,0,0,0|1,1,0]=4 4443 B14R1.759 COc1ccc(nc1SCCO)C=O 62a_100000211926_100010174741 [0,2,0,0,0,0|1,1,0]=4 4444 B14R1.759 COc1ccc(nc1SCCO)C=O 62a_100010174741_100000211926 [0,2,0,0,0,0|1,1,0]=4 4445 B14R1.759 COc1ccc(nc1SCSC)C=O 62a_100010174741_100011218213 [0,2,0,0,0,0|1,1,0]=4 4446 B14R1.759 COc1ccc(nc1SCSC)C=O 62a_100011218213_100010174741 [0,2,0,0,0,0|1,1,0]=4 4447 B14R1.759 COc1cnc(cc1SCC#N)C=O 62a_100010893078_100011215382 [0,2,0,0,0,0|1,1,0]=4 4448 B14R1.759 COc1cnc(cc1SCC#N)C=O 62a_100011215382_100010893078 [0,2,0,0,0,0|1,1,0]=4 4449 B14R1.759 COc1cnc(cc1SCC=O)C=O 62a_100010893078_200015260668 [0,2,0,0,0,0|1,1,0]=4 4450 B14R1.759 COc1cnc(cc1SCC=O)C=O 62a_200015260668_100010893078 [0,2,0,0,0,0|1,1,0]=4 4451 B14R1.759 COc1cnc(cc1SCCF)C=O 62a_100010893078_100011217306 [0,2,0,0,0,0|1,1,0]=4 4452 B14R1.759 COc1cnc(cc1SCCF)C=O 62a_100011217306_100010893078 [0,2,0,0,0,0|1,1,0]=4 4453 B14R1.759 COc1cnc(cc1SCCO)C=O 62a_100000211926_100010893078 [0,2,0,0,0,0|1,1,0]=4 4454 B14R1.759 COc1cnc(cc1SCCO)C=O 62a_100010893078_100000211926 [0,2,0,0,0,0|1,1,0]=4 4455 B14R1.759 COc1cnc(cc1SCSC)C=O 62a_100010893078_100011218213 [0,2,0,0,0,0|1,1,0]=4 4456 B14R1.759 COc1cnc(cc1SCSC)C=O 62a_100011218213_100010893078 [0,2,0,0,0,0|1,1,0]=4 4457 B14R1.759 COc1ncc(cc1SCC#N)C=O 62a_100011215382_200010064893 [0,2,0,0,0,0|1,1,0]=4 4458 B14R1.759 COc1ncc(cc1SCC#N)C=O 62a_200010064893_100011215382 [0,2,0,0,0,0|1,1,0]=4 4459 B14R1.759 COc1ncc(cc1SCC=O)C=O 62a_200010064893_200015260668 [0,2,0,0,0,0|1,1,0]=4 4460 B14R1.759 COc1ncc(cc1SCC=O)C=O 62a_200015260668_200010064893 [0,2,0,0,0,0|1,1,0]=4 4461 B14R1.759 COc1ncc(cc1SCCF)C=O 62a_100011217306_200010064893 [0,2,0,0,0,0|1,1,0]=4 4462 B14R1.759 COc1ncc(cc1SCCF)C=O 62a_200010064893_100011217306 [0,2,0,0,0,0|1,1,0]=4 4463 B14R1.759 COc1ncc(cc1SCCO)C=O 62a_100000211926_200010064893 [0,2,0,0,0,0|1,1,0]=4 4464 B14R1.759 COc1ncc(cc1SCCO)C=O 62a_200010064893_100000211926 [0,2,0,0,0,0|1,1,0]=4 4465 B14R1.759 COc1ncc(cc1SCSC)C=O 62a_100011218213_200010064893 [0,2,0,0,0,0|1,1,0]=4 4466 B14R1.759 COc1ncc(cc1SCSC)C=O 62a_200010064893_100011218213 [0,2,0,0,0,0|1,1,0]=4 4467 B14R1.2315 C=Cc1ccc(c(c1)C(=O)OC)CC 271570a_100011290941_100012360140 [0,2,0,0,0,0|2,0,0]=4 4468 B14R1.2315 C=Cc1ccc(c(c1)C(=O)OC)NC 271570a_100011290941_200000216482 [0,2,0,0,0,0|2,0,0]=4 4469 B14R1.2315 C=Cc1ccc(c(c1)C(=O)OC)OC 271570a_100011290941_100012047238 [0,2,0,0,0,0|1,0,0]=3 4470 B14R1.2315 C=Cc1ccc(c(c1)C(=O)OC)SC 271570a_100011290941_200010204078 [0,2,0,0,0,0|1,1,0]=4 4471 B14R1.2315 C=Cc1ccc(c(n1)C(=O)OC)OC 271570a_100011290941_100010136180 [0,2,0,0,0,0|2,0,0]=4 4472 B14R1.2315 C=Cc1ccc(cc1C(=O)OC)C=O 271570a_100011290941_100013328361 [0,2,0,0,0,0|1,0,1]=4 4473 B14R1.2315 C=Cc1cnc(c(c1)C(=O)OC)OC 271570a_100011290941_100000698521 [0,2,0,0,0,0|2,0,0]=4 4474 B14R1.2315 COC(=O)c1cc(ccc1OC)C#N 34a_100000076708_200000210301 [0,2,0,0,0,0|1,0,1]=4 4475 B14R1.2315 COC(=O)c1cc(ccc1OC)C#N 7a_100000076708_200000210301 [0,2,0,0,0,0|1,0,1]=4 4476 B14R1.2315 COC(=O)c1cc(ccc1OC)CN 34a_100000068129_200000210301 [0,2,0,0,0,0|1,0,1]=4 4477 B14R1.2315 COC(=O)c1cc(ccc1OC)CO 34a_100010674125_200000210301 [0,2,0,0,0,0|0,0,2]=4 4478 B14R1.2315 COC(=O)c1cc(ccc1OC)CO 7a_100010674125_200000210301 [0,2,0,0,0,0|0,0,2]=4 4479 B14R1.2315 COC(=O)c1cc(ccc1OC)OC 34a_100000151008_200000210301 [0,2,0,0,0,0|2,0,0]=4 4480 B14R1.2315 COC(=O)c1cc(ccc1OC)OC 7a_100000151008_200000210301 [0,2,0,0,0,0|2,0,0]=4 4481 B14R1.2315 COC(=O)c1cc(ccc1OC)SC 62a_100012047238_200000210301 [0,2,0,0,0,0|2,0,0]=4 4482 B14R1.2315 COC(=O)c1cc(ccc1OC)SC 62a_200000210301_100012047238 [0,2,0,0,0,0|2,0,0]=4 4483 B14R1.2315 COC(=O)c1cc(ccc1OC)S[13CH3] 62a_100012047238_200025704644 [0,2,0,0,0,0|2,0,0]=4 4484 B14R1.2315 COC(=O)c1cc(ccc1OC)S[13CH3] 62a_200025704644_100012047238 [0,2,0,0,0,0|2,0,0]=4 4485 B14R1.2315 COC(=O)c1cc(ccc1O[13CH3])C#N 34a_100000076708_200025704644 [0,2,0,0,0,0|1,0,1]=4 4486 B14R1.2315 COC(=O)c1cc(ccc1O[13CH3])C#N 7a_100000076708_200025704644 [0,2,0,0,0,0|1,0,1]=4 4487 B14R1.2315 COC(=O)c1cc(ccc1O[13CH3])CN 34a_100000068129_200025704644 [0,2,0,0,0,0|1,0,1]=4 4488 B14R1.2315 COC(=O)c1cc(ccc1O[13CH3])CO 34a_100010674125_200025704644 [0,2,0,0,0,0|0,0,2]=4 4489 B14R1.2315 COC(=O)c1cc(ccc1O[13CH3])CO 7a_100010674125_200025704644 [0,2,0,0,0,0|0,0,2]=4 4490 B14R1.2315 COC(=O)c1cc(ccc1O[13CH3])OC 34a_100000151008_200025704644 [0,2,0,0,0,0|2,0,0]=4 4491 B14R1.2315 COC(=O)c1cc(ccc1O[13CH3])OC 7a_100000151008_200025704644 [0,2,0,0,0,0|2,0,0]=4 4492 B14R1.2315 COC(=O)c1cc(ccc1SC)C=O 62a_100013328361_200000210301 [0,2,0,0,0,0|0,1,0]=3 4493 B14R1.2315 COC(=O)c1cc(ccc1SC)C=O 62a_200000210301_100013328361 [0,2,0,0,0,0|0,1,0]=3 4494 B14R1.2315 COC(=O)c1cc(ccc1S[13CH3])C=O 62a_100013328361_200025704644 [0,2,0,0,0,0|0,1,0]=3 4495 B14R1.2315 COC(=O)c1cc(ccc1S[13CH3])C=O 62a_200025704644_100013328361 [0,2,0,0,0,0|0,1,0]=3 4496 B14R1.2315 COc1ccc(c(c1)C(C)OC)OC 34a_100000246477_200000210301 [0,2,0,0,0,0|2,0,0]=4 4497 B14R1.2315 COc1ccc(c(c1)C(C)OC)OC 7a_100000246477_200000210301 [0,2,0,0,0,0|2,0,0]=4 4498 B14R1.2315 COc1ccc(c(c1)C(C)O[13CH3])OC 34a_100000246477_200025704644 [0,2,0,0,0,0|2,0,0]=4 4499 B14R1.2315 COc1ccc(c(c1)C(C)O[13CH3])OC 7a_100000246477_200025704644 [0,2,0,0,0,0|2,0,0]=4 4500 B14R1.3723 C=Cc1ccc(c(c1)CC(=O)C)OC 271570a_100011290941_200011493461 [0,2,0,0,0,0|2,0,0]=4 4501 B14R1.3723 C=Cc1ccc(c(c1)NC(=O)C)OC 271570a_100011290941_200011407902 [0,2,0,0,0,0|2,0,0]=4 4502 B14R1.3723 C=Cc1ccc(c(c1)OC(=O)C)OC 271570a_100011290941_200011016479 [0,2,0,0,0,0|1,0,0]=3 4503 B14R1.3723 C=Cc1ccc(c(c1)OC(C)C)OC 271570a_100011290941_200010232110 [0,2,0,0,0,0|1,0,0]=3 4504 B14R1.3723 CCc1ccc(c(c1)OC(C)C)OC 34a_100009844796_100000210206 [0,2,0,0,0,0|1,0,1]=4 4505 B14R1.3723 CCc1ccc(c(c1)OC(C)C)OC 7a_100009844796_100000210206 [0,2,0,0,0,0|1,0,1]=4 4506 B14R1.3723 CNc1ccc(c(c1)OC(F)F)OC 2230a_100000735751_200000210301 [0,2,0,0,0,0|2,0,0]=4 4507 B14R1.3723 CNc1ccc(c(c1)OC(F)F)OC 34a_100000735751_200000210301 [0,2,0,0,0,0|2,0,0]=4 4508 B14R1.3723 CNc1ccc(cc1C=C(C)C)C=O 271570a_100102525489_200010290468 [0,2,0,0,0,0|2,0,0]=4 4509 B14R1.3723 CNc1ccc(cc1SC(C)C)C=O 62a_100000210206_200010290468 [0,2,0,0,0,0|1,1,0]=4 4510 B14R1.3723 CNc1ccc(cc1SC(C)C)C=O 62a_200010290468_100000210206 [0,2,0,0,0,0|1,1,0]=4 4511 B14R1.3723 COc1ccc(c(c1)OC(C)C)OC 34a_100000074795_100000210206 [0,2,0,0,0,0|2,0,0]=4 4512 B14R1.3723 COc1ccc(cc1C=C(C)C)C=O 271570a_100102525489_100000173361 [0,2,0,0,0,0|1,0,0]=3 4513 B14R1.3723 COc1ccc(cc1CC(=O)C)C=O 1458a_100000070787_100000028394 [0,2,0,0,0,0|1,0,0]=3 4514 B14R1.3723 COc1ccc(cc1CN(C)C)C=O 2230a_100102631434_100000028394 [0,2,0,0,0,0|1,0,0]=3 4515 B14R1.3723 COc1ccc(cc1CN(C)C)C=O 269982a_100102631434_100000028394 [0,2,0,0,0,0|1,0,0]=3 4516 B14R1.3723 COc1ccc(cc1OC(C)C)C#N 34a_100000188611_100000210206 [0,2,0,0,0,0|1,0,1]=4 4517 B14R1.3723 COc1ccc(cc1OC(C)C)C#N 7a_100000188611_100000210206 [0,2,0,0,0,0|1,0,1]=4 4518 B14R1.3723 COc1ccc(cc1OC(C)C)CN 34a_100000740000_100000210206 [0,2,0,0,0,0|1,0,1]=4 4519 B14R1.3723 COc1ccc(cc1OC(C)C)CO 34a_100011215239_100000210206 [0,2,0,0,0,0|0,0,2]=4 4520 B14R1.3723 COc1ccc(cc1OC(C)C)SC 62a_200000210301_200010232110 [0,2,0,0,0,0|2,0,0]=4 4521 B14R1.3723 COc1ccc(cc1OC(C)C)SC 62a_200010232110_200000210301 [0,2,0,0,0,0|2,0,0]=4 4522 B14R1.3723 COc1ccc(cc1OC(C)C)S[13CH3] 62a_200010232110_200025704644 [0,2,0,0,0,0|2,0,0]=4 4523 B14R1.3723 COc1ccc(cc1OC(C)C)S[13CH3] 62a_200025704644_200010232110 [0,2,0,0,0,0|2,0,0]=4 4524 B14R1.3723 COc1ccc(cc1OC(F)F)N[13CH3] 2230a_100000735751_200025704644 [0,2,0,0,0,0|2,0,0]=4 4525 B14R1.3723 COc1ccc(cc1OC(F)F)N[13CH3] 34a_100000735751_200025704644 [0,2,0,0,0,0|2,0,0]=4 4526 B14R1.3723 COc1ccc(cc1SC(C)C)C=O 62a_100000173361_100000210206 [0,2,0,0,0,0|0,1,0]=3 4527 B14R1.3723 COc1ccc(cc1SC(C)C)C=O 62a_100000210206_100000173361 [0,2,0,0,0,0|0,1,0]=3 4528 B14R1.3723 COc1ccc(nc1C=C(C)C)C=O 271570a_100102525489_100010174741 [0,2,0,0,0,0|2,0,0]=4 4529 B14R1.3723 COc1ccc(nc1SC(C)C)C=O 62a_100000210206_100010174741 [0,2,0,0,0,0|1,1,0]=4 4530 B14R1.3723 COc1ccc(nc1SC(C)C)C=O 62a_100010174741_100000210206 [0,2,0,0,0,0|1,1,0]=4 4531 B14R1.3723 COc1cnc(cc1C=C(C)C)C=O 271570a_100102525489_100010893078 [0,2,0,0,0,0|2,0,0]=4 4532 B14R1.3723 COc1cnc(cc1SC(C)C)C=O 62a_100000210206_100010893078 [0,2,0,0,0,0|1,1,0]=4 4533 B14R1.3723 COc1cnc(cc1SC(C)C)C=O 62a_100010893078_100000210206 [0,2,0,0,0,0|1,1,0]=4 4534 B14R1.3723 COc1ncc(cc1C=C(C)C)C=O 271570a_100102525489_200010064893 [0,2,0,0,0,0|2,0,0]=4 4535 B14R1.3723 COc1ncc(cc1SC(C)C)C=O 62a_100000210206_200010064893 [0,2,0,0,0,0|1,1,0]=4 4536 B14R1.3723 COc1ncc(cc1SC(C)C)C=O 62a_200010064893_100000210206 [0,2,0,0,0,0|1,1,0]=4 4537 B14R1.5236 C=C=Cc1cc(ccc1OCC)C=O 271570a_100015277604_100000173028 [0,2,0,0,0,0|1,0,1]=4 4538 B14R1.5236 C=C=Cc1ccc(cc1OCC)C=O 271570a_100015277604_200010381951 [0,2,0,0,0,0|1,0,1]=4 4539 B14R1.5236 C=Cc1ccc(c(c1)CNC)OCC 271570a_100011290941_100015187135 [0,2,0,0,0,0|2,0,0]=4 4540 B14R1.5236 CC=Cc1cc(ccc1OCC)C=O 271570a_100016259895_100000173028 [0,2,0,0,0,0|1,0,0]=3 4541 B14R1.5236 CC=Cc1ccc(cc1OCC)C=O 271570a_100016259895_200010381951 [0,2,0,0,0,0|1,0,0]=3 4542 B14R1.5236 CCOc1cc(ccc1OCF)C#N 34a_100000181481_100015361967 [0,2,0,0,0,0|1,0,1]=4 4543 B14R1.5236 CCOc1cc(ccc1OCF)C#N 7a_100000181481_100015361967 [0,2,0,0,0,0|1,0,1]=4 4544 B14R1.5236 CCOc1cc(ccc1OCF)CN 34a_200000751567_100015361967 [0,2,0,0,0,0|1,0,1]=4 4545 B14R1.5236 CCOc1cc(ccc1OCF)CO 34a_200011232662_100015361967 [0,2,0,0,0,0|0,0,2]=4 4546 B14R1.5236 CCOc1cc(ccc1SCC)C=O 62a_100000210202_200010381951 [0,2,0,0,0,0|0,1,0]=3 4547 B14R1.5236 CCOc1cc(ccc1SCC)C=O 62a_200010381951_100000210202 [0,2,0,0,0,0|0,1,0]=3 4548 B14R1.5236 CCOc1cc(ccc1SCF)C=O 62a_100015361967_200010381951 [0,2,0,0,0,0|0,1,0]=3 4549 B14R1.5236 CCOc1cc(ccc1SCF)C=O 62a_200010381951_100015361967 [0,2,0,0,0,0|0,1,0]=3 4550 B14R1.5236 CCOc1ccc(cc1OCC)C#N 34a_100000181481_100000210202 [0,2,0,0,0,0|1,0,1]=4 4551 B14R1.5236 CCOc1ccc(cc1OCC)C#N 7a_100000181481_100000210202 [0,2,0,0,0,0|1,0,1]=4 4552 B14R1.5236 CCOc1ccc(cc1OCC)CN 34a_200000751567_100000210202 [0,2,0,0,0,0|1,0,1]=4 4553 B14R1.5236 CCOc1ccc(cc1OCC)CO 34a_200011232662_100000210202 [0,2,0,0,0,0|0,0,2]=4 4554 B14R1.5236 CCOc1ccc(cc1OCC)NC 2230a_100000682499_200000210301 [0,2,0,0,0,0|2,0,0]=4 4555 B14R1.5236 CCOc1ccc(cc1OCC)NC 34a_100000682499_200000210301 [0,2,0,0,0,0|2,0,0]=4 4556 B14R1.5236 CCOc1ccc(cc1OCC)N[13CH3] 2230a_100000682499_200025704644 [0,2,0,0,0,0|2,0,0]=4 4557 B14R1.5236 CCOc1ccc(cc1OCC)N[13CH3] 34a_100000682499_200025704644 [0,2,0,0,0,0|2,0,0]=4 4558 B14R1.5236 CCOc1ccc(cc1SCC)C=O 62a_100000173028_100000210202 [0,2,0,0,0,0|0,1,0]=3 4559 B14R1.5236 CCOc1ccc(cc1SCC)C=O 62a_100000210202_100000173028 [0,2,0,0,0,0|0,1,0]=3 4560 B14R1.5236 CCOc1ccc(cc1SCF)C=O 62a_100000173028_100015361967 [0,2,0,0,0,0|0,1,0]=3 4561 B14R1.5236 CCOc1ccc(cc1SCF)C=O 62a_100015361967_100000173028 [0,2,0,0,0,0|0,1,0]=3 4562 B14R1.5317 CCOc1cc(cc(c1OC)Br)C#N 7a_100000684219_200000210301 [0,2,0,0,0,0|1,0,1]=4 4563 B14R1.5317 CCOc1cc(cc(c1OC)Br)OC 34a_200020900881_100000210202 [0,2,0,0,0,0|2,0,0]=4 4564 B14R1.5317 CCOc1cc(cc(c1OC)O)C#N 271570a_203496583355_100000689698 [0,2,0,0,0,0|1,0,1]=4 4565 B14R1.5317 CCOc1cc(cc(c1OC)O)C=O 271570a_203496583355_100000184347 [0,2,0,0,0,0|0,0,0]=2 4566 B14R1.5317 CCOc1cc(cc(c1O[13CH3])Br)C#N 7a_100000684219_200025704644 [0,2,0,0,0,0|1,0,1]=4 4567 B14R1.5317 COc1cc(c(c(c1)OCF)OC)Br 34a_200020900881_100015361967 [0,2,0,0,0,0|2,0,0]=4 4568 B14R1.6787 C=C=Cc1ccc(c(c1)CCN)OC 271570a_100015277604_100000763266 [0,2,0,0,0,0|2,0,0]=4 4569 B14R1.6787 C=C=Cc1ccc(c(c1)CNC)OC 271570a_100015277604_100000690607 [0,2,0,0,0,0|2,0,0]=4 4570 B14R1.6787 C=C=Cc1ccc(c(c1)COC)OC 271570a_100015277604_200011493686 [0,2,0,0,0,0|1,0,0]=3 4571 B14R1.6787 C=C=Cc1ccc(c(c1)OCC)OC 271570a_100015277604_200010219349 [0,2,0,0,0,0|1,0,0]=3 4572 B14R1.6787 CC=Cc1ccc(c(c1)CCN)OC 271570a_100016259895_100000763266 [0,2,0,0,0,0|2,0,0]=4 4573 B14R1.6787 CC=Cc1ccc(c(c1)CNC)OC 271570a_100016259895_100000690607 [0,2,0,0,0,0|2,0,0]=4 4574 B14R1.6787 CC=Cc1ccc(c(c1)COC)OC 271570a_100016259895_200011493686 [0,2,0,0,0,0|1,0,0]=3 4575 B14R1.6787 CC=Cc1ccc(c(c1)OCC)OC 271570a_100016259895_200010219349 [0,2,0,0,0,0|1,0,0]=3 4576 B14R1.6787 CCOc1cc(ccc1OC)CC#N 7a_200000061240_200000210301 [0,2,0,0,0,0|1,0,1]=4 4577 B14R1.6787 CCOc1cc(ccc1OC)CCN 34a_100011207234_100000210202 [0,2,0,0,0,0|1,0,1]=4 4578 B14R1.6787 CCOc1cc(ccc1OC)CNC 207a_100102657272_100000170514 [0,2,0,0,0,0|1,0,1]=4 4579 B14R1.6787 CCOc1cc(ccc1OC)CNC 2230a_100000755831_200000210301 [0,2,0,0,0,0|1,0,1]=4 4580 B14R1.6787 CCOc1cc(ccc1OC)CNC 270004a_106832991635_100000170514 [0,2,0,0,0,0|1,0,1]=4 4581 B14R1.6787 CCOc1cc(ccc1OC)CNC 34a_100000188468_100000210202 [0,2,0,0,0,0|1,0,1]=4 4582 B14R1.6787 CCOc1cc(ccc1OC)CNC 34a_100000755831_200000210301 [0,2,0,0,0,0|1,0,1]=4 4583 B14R1.6787 CCOc1cc(ccc1OC)CN[13CH3] 2230a_100000755831_200025704644 [0,2,0,0,0,0|1,0,1]=4 4584 B14R1.6787 CCOc1cc(ccc1OC)CN[13CH3] 34a_100000755831_200025704644 [0,2,0,0,0,0|1,0,1]=4 4585 B14R1.6787 CCOc1cc(ccc1O[13CH3])CC#N 7a_200000061240_200025704644 [0,2,0,0,0,0|1,0,1]=4 4586 B14R1.6787 CCSc1ccc(c(c1)COC)OC 62a_100000210202_200011493686 [0,2,0,0,0,0|1,0,1]=4 4587 B14R1.6787 CCSc1ccc(c(c1)COC)OC 62a_200011493686_100000210202 [0,2,0,0,0,0|1,0,1]=4 4588 B14R1.6787 CNCc1ccc(c(c1)COC)OC 207a_100102657272_100000708483 [0,2,0,0,0,0|1,0,1]=4 4589 B14R1.6787 CNCc1ccc(c(c1)COC)OC 270004a_106832991635_100000708483 [0,2,0,0,0,0|1,0,1]=4 4590 B14R1.6787 CNCc1ccc(c(c1)OCF)OC 34a_100000188468_100015361967 [0,2,0,0,0,0|1,0,1]=4 4591 B14R1.6787 COCc1cc(ccc1OC)SCF 62a_100015361967_200011493686 [0,2,0,0,0,0|1,0,1]=4 4592 B14R1.6787 COCc1cc(ccc1OC)SCF 62a_200011493686_100015361967 [0,2,0,0,0,0|1,0,1]=4 4593 B14R1.6787 COc1ccc(cc1OCF)CCN 34a_100011207234_100015361967 [0,2,0,0,0,0|1,0,1]=4 4594 B14R1.9401 CCSc1c(ccc(c1O)C=O)OC 62a_100000210202_100016072024 [0,2,0,0,0,0|0,1,0]=3 4595 B14R1.9401 COc1ccc(c(c1SCF)O)C=O 62a_100015361967_100016072024 [0,2,0,0,0,0|0,1,0]=3 4596 B14R1.15069 C=C=Cc1cc(c(cc1OC)F)C=O 271570a_100015277604_100010244998 [0,2,0,0,0,0|1,0,1]=4 4597 B14R1.15069 C=C=Cc1cc(c(cc1OC)O)C=O 271570a_100015277604_100009998278 [0,2,0,0,0,0|1,0,1]=4 4598 B14R1.15069 CC=Cc1cc(c(cc1OC)F)C=O 271570a_100016259895_100010244998 [0,2,0,0,0,0|1,0,0]=3 4599 B14R1.15069 CC=Cc1cc(c(cc1OC)O)C=O 271570a_100016259895_100009998278 [0,2,0,0,0,0|1,0,0]=3 4600 B14R1.15069 CCOc1cc(c(cc1OC)Br)C#N 34a_100009814618_200000210301 [0,2,0,0,0,0|1,0,1]=4 4601 B14R1.15069 CCOc1cc(c(cc1OC)Br)C#N 7a_100009814618_200000210301 [0,2,0,0,0,0|1,0,1]=4 4602 B14R1.15069 CCOc1cc(c(cc1OC)Br)OC 34a_100009816818_100000210202 [0,2,0,0,0,0|2,0,0]=4 4603 B14R1.15069 CCOc1cc(c(cc1OC)Br)OC 7a_100009816818_100000210202 [0,2,0,0,0,0|2,0,0]=4 4604 B14R1.15069 CCOc1cc(c(cc1OC)C)CC 34a_200010661296_100000210202 [0,2,0,0,0,0|1,0,1]=4 4605 B14R1.15069 CCOc1cc(c(cc1OC)C)CC 7a_200010661296_100000210202 [0,2,0,0,0,0|1,0,1]=4 4606 B14R1.15069 CCOc1cc(c(cc1O[13CH3])Br)C#N 34a_100009814618_200025704644 [0,2,0,0,0,0|1,0,1]=4 4607 B14R1.15069 CCOc1cc(c(cc1O[13CH3])Br)C#N 7a_100009814618_200025704644 [0,2,0,0,0,0|1,0,1]=4 4608 B14R1.15069 CCSc1cc(c(cc1OC)F)C=O 62a_100000210202_100010244998 [0,2,0,0,0,0|0,1,0]=3 4609 B14R1.15069 CCSc1cc(c(cc1OC)F)C=O 62a_100010244998_100000210202 [0,2,0,0,0,0|0,1,0]=3 4610 B14R1.15069 CCSc1cc(c(cc1OC)O)C=O 62a_100000210202_100009998278 [0,2,0,0,0,0|0,1,0]=3 4611 B14R1.15069 CCc1cc(c(cc1C)OC)OCF 34a_200010661296_100015361967 [0,2,0,0,0,0|1,0,1]=4 4612 B14R1.15069 CCc1cc(c(cc1C)OC)OCF 7a_200010661296_100015361967 [0,2,0,0,0,0|1,0,1]=4 4613 B14R1.15069 COCc1cc(c(cc1OC)C)OC 34a_200010309539_200000210301 [0,2,0,0,0,0|2,0,0]=4 4614 B14R1.15069 COCc1cc(c(cc1OC)C)OC 7a_200010309539_200000210301 [0,2,0,0,0,0|2,0,0]=4 4615 B14R1.15069 COc1cc(c(cc1Br)OC)OCF 34a_100009816818_100015361967 [0,2,0,0,0,0|2,0,0]=4 4616 B14R1.15069 COc1cc(c(cc1Br)OC)OCF 7a_100009816818_100015361967 [0,2,0,0,0,0|2,0,0]=4 4617 B14R1.15069 COc1cc(c(cc1C)OC)CO[13CH3] 34a_200010309539_200025704644 [0,2,0,0,0,0|2,0,0]=4 4618 B14R1.15069 COc1cc(c(cc1C)OC)CO[13CH3] 7a_200010309539_200025704644 [0,2,0,0,0,0|2,0,0]=4 4619 B14R1.15069 COc1cc(c(cc1SCF)C=O)F 62a_100010244998_100015361967 [0,2,0,0,0,0|0,1,0]=3 4620 B14R1.15069 COc1cc(c(cc1SCF)C=O)F 62a_100015361967_100010244998 [0,2,0,0,0,0|0,1,0]=3 4621 B14R1.15069 COc1cc(c(cc1SCF)C=O)O 62a_100015361967_100009998278 [0,2,0,0,0,0|0,1,0]=3 4622 B14R1.793 C#CCNc1ccc(c(c1)OC)OC 34a_100000187404_100000184674 [0,2,0,0,0,0|1,0,1]=4 4623 B14R1.793 C#CCOc1ccc(c(c1)OC)OC 34a_100000039706_100000184674 [0,2,0,0,0,0|1,0,1]=4 4624 B14R1.793 C#CCSc1ccc(c(c1)OC)OC 62a_100000038162_100011356967 [0,2,0,0,0,0|1,0,1]=4 4625 B14R1.793 C=CCNc1ccc(c(c1)OC)OC 34a_100000187404_100015514636 [0,2,0,0,0,0|1,0,0]=3 4626 B14R1.793 C=CCOc1ccc(c(c1)OC)OC 34a_100000039706_100015514636 [0,2,0,0,0,0|1,0,0]=3 4627 B14R1.793 C=CCSc1ccc(c(c1)CC)OC 62a_100000210623_200010179862 [0,2,0,0,0,0|2,0,0]=4 4628 B14R1.793 C=CCSc1ccc(c(c1)CC)OC 62a_200010179862_100000210623 [0,2,0,0,0,0|2,0,0]=4 4629 B14R1.793 C=CCSc1ccc(c(c1)OC)CC 62a_100000210623_200010710398 [0,2,0,0,0,0|2,0,0]=4 4630 B14R1.793 C=CCSc1ccc(c(c1)OC)CC 62a_200010710398_100000210623 [0,2,0,0,0,0|2,0,0]=4 4631 B14R1.793 C=CCSc1ccc(c(c1)OC)OC 62a_100000210623_100011356967 [0,2,0,0,0,0|1,0,0]=3 4632 B14R1.793 C=CCSc1ccc(c(c1)OC)SC 62a_200011001119_100000210623 [0,2,0,0,0,0|1,1,0]=4 4633 B14R1.793 C=CCSc1ccc(c(c1)SC)OC 62a_200009892704_100000210623 [0,2,0,0,0,0|1,1,0]=4 4634 B14R1.793 C=CCSc1ccc(c(n1)OC)OC 62a_100000210623_100010214848 [0,2,0,0,0,0|2,0,0]=4 4635 B14R1.793 C=CCSc1cnc(c(c1)OC)OC 62a_100000210623_100010234541 [0,2,0,0,0,0|2,0,0]=4 4636 B14R1.793 CC=NNc1ccc(c(c1)OC)OC 4a_100000071703_200000210099 [0,2,0,0,0,0|1,0,0]=3 4637 B14R1.793 CCCCc1ccc(c(c1)OC)OC 271570a_100020621405_100000187503 [0,2,0,0,0,0|1,0,1]=4 4638 B14R1.793 CCCNc1ccc(c(c1)OC)OC 34a_100000187404_100000210303 [0,2,0,0,0,0|1,0,1]=4 4639 B14R1.793 CCCOc1ccc(c(c1)OC)OC 34a_100000039706_100000210303 [0,2,0,0,0,0|1,0,1]=4 4640 B14R1.793 CCCSc1ccc(c(c1)OC)OC 62a_100000210303_100011356967 [0,2,0,0,0,0|1,0,1]=4 4641 B14R1.793 CCNCc1ccc(c(c1)OC)OC 207a_100015525214_100000170513 [0,2,0,0,0,0|1,0,1]=4 4642 B14R1.793 CCNCc1ccc(c(c1)OC)OC 2230a_100015525214_100011233839 [0,2,0,0,0,0|1,0,1]=4 4643 B14R1.793 CCNCc1ccc(c(c1)OC)OC 270004a_100015525214_100000170513 [0,2,0,0,0,0|1,0,1]=4 4644 B14R1.793 CCNCc1ccc(c(c1)OC)OC 34a_100000185555_100000210202 [0,2,0,0,0,0|1,0,1]=4 4645 B14R1.793 CCOCc1ccc(c(c1)OC)OC 34a_100000083705_200000210301 [0,2,0,0,0,0|0,0,2]=4 4646 B14R1.793 CCOCc1ccc(c(c1)OC)OC 34a_100000210929_100000210202 [0,2,0,0,0,0|0,0,2]=4 4647 B14R1.793 CCOCc1ccc(c(c1)OC)OC 7a_100000083705_200000210301 [0,2,0,0,0,0|0,0,2]=4 4648 B14R1.793 CCOCc1ccc(c(c1)OC)O[13CH3] 34a_100000083705_200025704644 [0,2,0,0,0,0|0,0,2]=4 4649 B14R1.793 CCOCc1ccc(c(c1)OC)O[13CH3] 7a_100000083705_200025704644 [0,2,0,0,0,0|0,0,2]=4 4650 B14R1.793 CCSCc1ccc(c(c1)OC)OC 62a_100000210202_100011233839 [0,2,0,0,0,0|0,1,1]=4 4651 B14R1.793 CCc1cc(ccc1OC)SCC=O 62a_200010179862_200015260668 [0,2,0,0,0,0|1,0,0]=3 4652 B14R1.793 CCc1cc(ccc1OC)SCC=O 62a_200015260668_200010179862 [0,2,0,0,0,0|1,0,0]=3 4653 B14R1.793 CCc1ccc(cc1OC)SCC=O 62a_200010710398_200015260668 [0,2,0,0,0,0|1,0,0]=3 4654 B14R1.793 CCc1ccc(cc1OC)SCC=O 62a_200015260668_200010710398 [0,2,0,0,0,0|1,0,0]=3 4655 B14R1.793 CNCCc1ccc(c(c1)OC)OC 2230a_100000210947_200000210301 [0,2,0,0,0,0|1,0,1]=4 4656 B14R1.793 CNCCc1ccc(c(c1)OC)OC 2230a_106832991635_100011273988 [0,2,0,0,0,0|1,0,1]=4 4657 B14R1.793 CNCCc1ccc(c(c1)OC)OC 270004a_106832991635_100011754369 [0,2,0,0,0,0|1,0,1]=4 4658 B14R1.793 CNCCc1ccc(c(c1)OC)OC 34a_100000210947_200000210301 [0,2,0,0,0,0|1,0,1]=4 4659 B14R1.793 CNCCc1ccc(c(c1)OC)OC 34a_100102657272_100011273988 [0,2,0,0,0,0|1,0,1]=4 4660 B14R1.793 CNCCc1ccc(c(c1)OC)OC 7a_106832991635_100011740610 [0,2,0,0,0,0|1,0,1]=4 4661 B14R1.793 COCCc1ccc(c(c1)OC)OC 34a_100011215274_200000210301 [0,2,0,0,0,0|0,0,2]=4 4662 B14R1.793 COCCc1ccc(c(c1)OC)OC 34a_100138415774_100011273988 [0,2,0,0,0,0|0,0,2]=4 4663 B14R1.793 COCSc1ccc(c(c1)OC)OC 62a_100000766300_100011356967 [0,2,0,0,0,0|0,0,2]=4 4664 B14R1.793 COc1cc(ccc1C#N)NCC=O 34a_100011999456_200009817547 [0,2,0,0,0,0|2,0,0]=4 4665 B14R1.793 COc1cc(ccc1C#N)SCC=O 62a_200015260668_100000694671 [0,2,0,0,0,0|2,0,0]=4 4666 B14R1.793 COc1cc(ccc1C=O)SCC=O 62a_100000697075_200015260668 [0,2,0,0,0,0|2,0,0]=4 4667 B14R1.793 COc1cc(ccc1C=O)SCC=O 62a_200015260668_100010290300 [0,2,0,0,0,0|2,0,0]=4 4668 B14R1.793 COc1cc(ccc1CO)NCC=O 34a_100012183141_200009817547 [0,2,0,0,0,0|2,0,0]=4 4669 B14R1.793 COc1cc(ccc1CO)OCC=O 34a_200000116926_200009817547 [0,2,0,0,0,0|2,0,0]=4 4670 B14R1.793 COc1cc(ccc1CO)SCC=O 62a_100011277633_200015260668 [0,2,0,0,0,0|2,0,0]=4 4671 B14R1.793 COc1cc(ccc1CO)SCC=O 62a_200015260668_100011277633 [0,2,0,0,0,0|2,0,0]=4 4672 B14R1.793 COc1cc(ccc1O[13CH3])/C=C\CO 34a_100016294963_200025704644 [0,2,0,0,0,0|0,0,1]=3 4673 B14R1.793 COc1cc(ccc1O[13CH3])CCCO 34a_100000060467_200025704644 [0,2,0,0,0,0|0,0,2]=4 4674 B14R1.793 COc1cc(ccc1O[13CH3])CCCO 7a_100000060467_200025704644 [0,2,0,0,0,0|0,0,2]=4 4675 B14R1.793 COc1cc(ccc1SC)SCC=O 62a_200011001119_200015260668 [0,2,0,0,0,0|0,1,0]=3 4676 B14R1.793 COc1cc(cnc1OC)SCC=O 62a_200015260668_100010234541 [0,2,0,0,0,0|1,0,0]=3 4677 B14R1.793 COc1cc(nnc1OC)SCC=O 62a_200015260668_200000095610 [0,2,0,0,0,0|2,0,0]=4 4678 B14R1.793 COc1ccc(cc1C#N)NCC=O 34a_100011204338_200009817547 [0,2,0,0,0,0|2,0,0]=4 4679 B14R1.793 COc1ccc(cc1C#N)NCC=O 7a_100011204338_200015260668 [0,2,0,0,0,0|2,0,0]=4 4680 B14R1.793 COc1ccc(cc1C#N)SCC=O 62a_200015260668_100000188252 [0,2,0,0,0,0|2,0,0]=4 4681 B14R1.793 COc1ccc(cc1C=O)SCC=O 62a_100000170026_200015260668 [0,2,0,0,0,0|2,0,0]=4 4682 B14R1.793 COc1ccc(cc1C=O)SCC=O 62a_200015260668_100000170026 [0,2,0,0,0,0|2,0,0]=4 4683 B14R1.793 COc1ccc(cc1CN)SCC=O 62a_100000690498_200015260668 [0,2,0,0,0,0|2,0,0]=4 4684 B14R1.793 COc1ccc(cc1CN)SCC=O 62a_200015260668_100000690498 [0,2,0,0,0,0|2,0,0]=4 4685 B14R1.793 COc1ccc(cc1CO)SCC=O 62a_100000204679_200015260668 [0,2,0,0,0,0|2,0,0]=4 4686 B14R1.793 COc1ccc(cc1CO)SCC=O 62a_200015260668_100000204679 [0,2,0,0,0,0|2,0,0]=4 4687 B14R1.793 COc1ccc(cc1OC)/C=C/CO 34a_100102524974_200000210301 [0,2,0,0,0,0|0,0,1]=3 4688 B14R1.793 COc1ccc(cc1OC)/C=C\CO 34a_100016294963_200000210301 [0,2,0,0,0,0|0,0,1]=3 4689 B14R1.793 COc1ccc(cc1OC)CCCO 34a_100000060467_200000210301 [0,2,0,0,0,0|0,0,2]=4 4690 B14R1.793 COc1ccc(cc1OC)CCCO 7a_100000060467_200000210301 [0,2,0,0,0,0|0,0,2]=4 4691 B14R1.793 COc1ccc(cc1OC)CCN[13CH3] 2230a_100000210947_200025704644 [0,2,0,0,0,0|1,0,1]=4 4692 B14R1.793 COc1ccc(cc1OC)CCN[13CH3] 34a_100000210947_200025704644 [0,2,0,0,0,0|1,0,1]=4 4693 B14R1.793 COc1ccc(cc1OC)CCO[13CH3] 34a_100011215274_200025704644 [0,2,0,0,0,0|0,0,2]=4 4694 B14R1.793 COc1ccc(cc1OC)CCSC 62a_200000210301_100011740610 [0,2,0,0,0,0|0,1,1]=4 4695 B14R1.793 COc1ccc(cc1OC)CCS[13CH3] 62a_200025704644_100011740610 [0,2,0,0,0,0|0,1,1]=4 4696 B14R1.793 COc1ccc(cc1OC)CNCF 34a_100000185555_100015361967 [0,2,0,0,0,0|1,0,1]=4 4697 B14R1.793 COc1ccc(cc1OC)COCF 34a_100000210929_100015361967 [0,2,0,0,0,0|0,0,2]=4 4698 B14R1.793 COc1ccc(cc1OC)CSCF 62a_100015361967_100011233839 [0,2,0,0,0,0|0,1,1]=4 4699 B14R1.793 COc1ccc(cc1OC)NCC=O 34a_100000187404_200009817547 [0,2,0,0,0,0|0,0,0]=2 4700 B14R1.793 COc1ccc(cc1OC)NCCF 34a_100000187404_100011217306 [0,2,0,0,0,0|1,0,1]=4 4701 B14R1.793 COc1ccc(cc1OC)NCCO 34a_100000187404_100000211926 [0,2,0,0,0,0|0,0,2]=4 4702 B14R1.793 COc1ccc(cc1OC)NCSC 34a_100000187404_100011218213 [0,2,0,0,0,0|0,1,1]=4 4703 B14R1.793 COc1ccc(cc1OC)OCC=O 34a_100000039706_200009817547 [0,2,0,0,0,0|0,0,0]=2 4704 B14R1.793 COc1ccc(cc1OC)OCCF 34a_100000039706_100011217306 [0,2,0,0,0,0|1,0,1]=4 4705 B14R1.793 COc1ccc(cc1OC)OCCO 34a_100000039706_100000211926 [0,2,0,0,0,0|0,0,2]=4 4706 B14R1.793 COc1ccc(cc1OC)OCSC 34a_100000039706_100011218213 [0,2,0,0,0,0|0,1,1]=4 4707 B14R1.793 COc1ccc(cc1OC)SCC#N 62a_100011215382_100011356967 [0,2,0,0,0,0|1,0,1]=4 4708 B14R1.793 COc1ccc(cc1OC)SCC=O 62a_200015260668_100011356967 [0,2,0,0,0,0|0,0,0]=2 4709 B14R1.793 COc1ccc(cc1OC)SCCF 62a_100011217306_100011356967 [0,2,0,0,0,0|1,0,1]=4 4710 B14R1.793 COc1ccc(cc1OC)SCCO 62a_100000211926_100011356967 [0,2,0,0,0,0|0,0,2]=4 4711 B14R1.793 COc1ccc(cc1OC)SCSC 62a_100011218213_100011356967 [0,2,0,0,0,0|0,1,1]=4 4712 B14R1.793 COc1ccc(cc1O[13CH3])/C=C/CO 34a_100102524974_200025704644 [0,2,0,0,0,0|0,0,1]=3 4713 B14R1.793 COc1ccc(cc1SC)SCC=O 62a_200009892704_200015260668 [0,2,0,0,0,0|0,1,0]=3 4714 B14R1.793 COc1ccc(nc1OC)SCC=O 62a_200015260668_100010214848 [0,2,0,0,0,0|1,0,0]=3 4715 B14R1.793 COc1cnc(nc1OC)SCC=O 62a_200015260668_100010280452 [0,2,0,0,0,0|2,0,0]=4 4716 B14R1.793 COc1ncc(nc1OC)SCC=O 62a_100010132954_200015260668 [0,2,0,0,0,0|2,0,0]=4 4717 B14R1.793 COc1ncc(nc1OC)SCC=O 62a_200015260668_100010132954 [0,2,0,0,0,0|2,0,0]=4 4718 B14R1.1864 C=Cc1cc(ccc1OC)C(=O)NN 271570a_100011290941_100000186317 [0,2,0,0,0,0|1,0,1]=4 4719 B14R1.1864 C=Cc1cc(ccc1OC)C(=O)OC 271570a_100011290941_100000189012 [0,2,0,0,0,0|1,0,1]=4 4720 B14R1.1864 C=Cc1ccc(cc1OC)C(=O)OC 271570a_100011290941_100009816954 [0,2,0,0,0,0|1,0,1]=4 4721 B14R1.1864 CCC(=O)c1ccc(c(c1)C#N)OC 1458a_100011999887_100000210202 [0,2,0,0,0,0|2,0,0]=4 4722 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)C#N 1458a_100009879710_100000210202 [0,2,0,0,0,0|2,0,0]=4 4723 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)OC 1458a_100000211223_100000210202 [0,2,0,0,0,0|0,0,0]=2 4724 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)OC 34a_100000012293_200000210301 [0,2,0,0,0,0|0,0,0]=2 4725 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)OC 7a_100000012293_200000210301 [0,2,0,0,0,0|0,0,0]=2 4726 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)O[13CH3] 34a_100000012293_200025704644 [0,2,0,0,0,0|0,0,0]=2 4727 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)O[13CH3] 7a_100000012293_200025704644 [0,2,0,0,0,0|0,0,0]=2 4728 B14R1.1864 CCC(O)c1ccc(c(c1)OC)OC 34a_200000015950_200000210301 [0,2,0,0,0,0|0,0,2]=4 4729 B14R1.1864 CCC(O)c1ccc(c(c1)OC)OC 7a_200000015950_200000210301 [0,2,0,0,0,0|0,0,2]=4 4730 B14R1.1864 CCC(O)c1ccc(c(c1)OC)O[13CH3] 34a_200000015950_200025704644 [0,2,0,0,0,0|0,0,2]=4 4731 B14R1.1864 CCC(O)c1ccc(c(c1)OC)O[13CH3] 7a_200000015950_200025704644 [0,2,0,0,0,0|0,0,2]=4 4732 B14R1.1864 CCN(C)c1ccc(c(c1)OC)OC 2230a_100000221037_200000210301 [0,2,0,0,0,0|1,0,1]=4 4733 B14R1.1864 CCN(C)c1ccc(c(c1)OC)OC 269982a_100000221037_200000210301 [0,2,0,0,0,0|1,0,1]=4 4734 B14R1.1864 CCN(C)c1ccc(c(c1)OC)OC 34a_100000221037_200000210301 [0,2,0,0,0,0|1,0,1]=4 4735 B14R1.1864 CCN([13CH3])c1ccc(c(c1)OC)OC 2230a_100000221037_200025704644 [0,2,0,0,0,0|1,0,1]=4 4736 B14R1.1864 CCN([13CH3])c1ccc(c(c1)OC)OC 269982a_100000221037_200025704644 [0,2,0,0,0,0|1,0,1]=4 4737 B14R1.1864 CCN([13CH3])c1ccc(c(c1)OC)OC 34a_100000221037_200025704644 [0,2,0,0,0,0|1,0,1]=4 4738 B14R1.1864 CCc1ccc(cc1SC)C(=O)OC 62a_200000210301_200012360130 [0,2,0,0,0,0|1,1,0]=4 4739 B14R1.1864 CCc1ccc(cc1SC)C(=O)OC 62a_200012360130_200000210301 [0,2,0,0,0,0|1,1,0]=4 4740 B14R1.1864 CCc1ccc(cc1S[13CH3])C(=O)OC 62a_200012360130_200025704644 [0,2,0,0,0,0|1,1,0]=4 4741 B14R1.1864 CCc1ccc(cc1S[13CH3])C(=O)OC 62a_200025704644_200012360130 [0,2,0,0,0,0|1,1,0]=4 4742 B14R1.1864 CNC(=O)c1ccc(c(c1)C#N)OC 11a_106832991635_100011999887 [0,2,0,0,0,0|2,0,0]=4 4743 B14R1.1864 CNC(=O)c1ccc(c(c1)C#N)OC 1626a_100102657272_100011999887 [0,2,0,0,0,0|2,0,0]=4 4744 B14R1.1864 CNC(=O)c1ccc(c(c1)C#N)OC 240690a_100102657272_100011999887 [0,2,0,0,0,0|2,0,0]=4 4745 B14R1.1864 CNC(=O)c1ccc(c(c1)C#N)OC 527a_100102657272_100011999887 [0,2,0,0,0,0|2,0,0]=4 4746 B14R1.1864 CNC(=O)c1ccc(c(c1)NC)OC 2230a_100000740754_200000210301 [0,2,0,0,0,0|1,0,0]=3 4747 B14R1.1864 CNC(=O)c1ccc(c(c1)NC)OC 34a_100000740754_200000210301 [0,2,0,0,0,0|1,0,0]=3 4748 B14R1.1864 CNC(=O)c1ccc(c(c1)N[13CH3])OC 2230a_100000740754_200025704644 [0,2,0,0,0,0|1,0,0]=3 4749 B14R1.1864 CNC(=O)c1ccc(c(c1)N[13CH3])OC 34a_100000740754_200025704644 [0,2,0,0,0,0|1,0,0]=3 4750 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)C#N 11a_106832991635_100009879710 [0,2,0,0,0,0|2,0,0]=4 4751 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)C#N 1626a_100102657272_100009879710 [0,2,0,0,0,0|2,0,0]=4 4752 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)C#N 240690a_100102657272_100009879710 [0,2,0,0,0,0|2,0,0]=4 4753 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)C#N 527a_100102657272_100009879710 [0,2,0,0,0,0|2,0,0]=4 4754 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)NC 2230a_100011850465_200000210301 [0,2,0,0,0,0|1,0,0]=3 4755 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)NC 34a_100011850465_200000210301 [0,2,0,0,0,0|1,0,0]=3 4756 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)N[13CH3] 2230a_100011850465_200025704644 [0,2,0,0,0,0|1,0,0]=3 4757 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)N[13CH3] 34a_100011850465_200025704644 [0,2,0,0,0,0|1,0,0]=3 4758 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)OC 11a_106832991635_100000211223 [0,2,0,0,0,0|0,0,0]=2 4759 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)OC 1626a_100102657272_100000211223 [0,2,0,0,0,0|0,0,0]=2 4760 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)OC 240690a_100102657272_100000211223 [0,2,0,0,0,0|0,0,0]=2 4761 B14R1.1864 CNC(=O)c1ccc(c(c1)OC)OC 527a_100102657272_100000211223 [0,2,0,0,0,0|0,0,0]=2 4762 B14R1.1864 CNC(C)c1ccc(c(c1)OC)OC 269862a_106832991636_100000171757 [0,2,0,0,0,0|1,0,1]=4 4763 B14R1.1864 CN[C@H](C)c1ccc(c(c1)OC)OC 2230a_100025717294_200000210301 [0,2,0,0,0,0|1,0,1]=4 4764 B14R1.1864 CNc1ncc(cc1OC)C(=O)OC 27a_100102657272_100010074909 [0,2,0,0,0,0|2,0,0]=4 4765 B14R1.1864 COC(=O)c1cc(c(cn1)OC)SC 62a_200000210301_200010136175 [0,2,0,0,0,0|1,1,0]=4 4766 B14R1.1864 COC(=O)c1cc(c(cn1)OC)SC 62a_200010136175_200000210301 [0,2,0,0,0,0|1,1,0]=4 4767 B14R1.1864 COC(=O)c1cc(c(cn1)OC)S[13CH3] 62a_200010136175_200025704644 [0,2,0,0,0,0|1,1,0]=4 4768 B14R1.1864 COC(=O)c1cc(c(cn1)OC)S[13CH3] 62a_200025704644_200010136175 [0,2,0,0,0,0|1,1,0]=4 4769 B14R1.1864 COC(=O)c1cc(c(cn1)SC)OC 62a_100010136178_200000210301 [0,2,0,0,0,0|1,1,0]=4 4770 B14R1.1864 COC(=O)c1cc(c(cn1)SC)OC 62a_200000210301_100010136178 [0,2,0,0,0,0|1,1,0]=4 4771 B14R1.1864 COC(=O)c1cc(c(cn1)S[13CH3])OC 62a_100010136178_200025704644 [0,2,0,0,0,0|1,1,0]=4 4772 B14R1.1864 COC(=O)c1cc(c(cn1)S[13CH3])OC 62a_200025704644_100010136178 [0,2,0,0,0,0|1,1,0]=4 4773 B14R1.1864 COC(=O)c1ccc(c(c1)C#N)OC 34a_100009865136_200000210301 [0,2,0,0,0,0|2,0,0]=4 4774 B14R1.1864 COC(=O)c1ccc(c(c1)C#N)OC 7a_100009865136_200000210301 [0,2,0,0,0,0|2,0,0]=4 4775 B14R1.1864 COC(=O)c1ccc(c(c1)C#N)O[13CH3] 34a_100009865136_200025704644 [0,2,0,0,0,0|2,0,0]=4 4776 B14R1.1864 COC(=O)c1ccc(c(c1)C#N)O[13CH3] 7a_100009865136_200025704644 [0,2,0,0,0,0|2,0,0]=4 4777 B14R1.1864 COC(=O)c1ccc(c(c1)OC)C#N 34a_100000044657_200000210301 [0,2,0,0,0,0|2,0,0]=4 4778 B14R1.1864 COC(=O)c1ccc(c(c1)OC)C#N 7a_100000044657_200000210301 [0,2,0,0,0,0|2,0,0]=4 4779 B14R1.1864 COC(=O)c1ccc(c(c1)OC)OC 34a_100000212147_200000210301 [0,2,0,0,0,0|0,0,0]=2 4780 B14R1.1864 COC(=O)c1ccc(c(c1)OC)OC 34a_100011215032_200000210301 [0,2,0,0,0,0|0,0,0]=2 4781 B14R1.1864 COC(=O)c1ccc(c(c1)OC)OC 7a_100000212147_200000210301 [0,2,0,0,0,0|0,0,0]=2 4782 B14R1.1864 COC(=O)c1ccc(c(c1)OC)OC 7a_100011215032_200000210301 [0,2,0,0,0,0|0,0,0]=2 4783 B14R1.1864 COC(=O)c1ccc(c(c1)OC)O[13CH3] 34a_100000212147_200025704644 [0,2,0,0,0,0|0,0,0]=2 4784 B14R1.1864 COC(=O)c1ccc(c(c1)OC)O[13CH3] 7a_100000212147_200025704644 [0,2,0,0,0,0|0,0,0]=2 4785 B14R1.1864 COC(=O)c1ccc(c(c1)OC)SC 62a_100009816954_200000210301 [0,2,0,0,0,0|0,1,0]=3 4786 B14R1.1864 COC(=O)c1ccc(c(c1)OC)SC 62a_200000210301_100009816954 [0,2,0,0,0,0|0,1,0]=3 4787 B14R1.1864 COC(=O)c1ccc(c(c1)OC)S[13CH3] 62a_100009816954_200025704644 [0,2,0,0,0,0|0,1,0]=3 4788 B14R1.1864 COC(=O)c1ccc(c(c1)OC)S[13CH3] 62a_200025704644_100009816954 [0,2,0,0,0,0|0,1,0]=3 4789 B14R1.1864 COC(=O)c1ccc(c(c1)O[13CH3])C#N 34a_100000044657_200025704644 [0,2,0,0,0,0|2,0,0]=4 4790 B14R1.1864 COC(=O)c1ccc(c(c1)O[13CH3])C#N 7a_100000044657_200025704644 [0,2,0,0,0,0|2,0,0]=4 4791 B14R1.1864 COC(=O)c1ccc(c(c1)O[13CH3])OC 34a_100011215032_200025704644 [0,2,0,0,0,0|0,0,0]=2 4792 B14R1.1864 COC(=O)c1ccc(c(c1)O[13CH3])OC 7a_100011215032_200025704644 [0,2,0,0,0,0|0,0,0]=2 4793 B14R1.1864 COC(=O)c1ccc(c(c1)SC)OC 62a_100000189012_200000210301 [0,2,0,0,0,0|0,1,0]=3 4794 B14R1.1864 COC(=O)c1ccc(c(c1)SC)OC 62a_200000210301_100000189012 [0,2,0,0,0,0|0,1,0]=3 4795 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])OC 62a_100000189012_200025704644 [0,2,0,0,0,0|0,1,0]=3 4796 B14R1.1864 COC(=O)c1ccc(c(c1)S[13CH3])OC 62a_200025704644_100000189012 [0,2,0,0,0,0|0,1,0]=3 4797 B14R1.1864 COC(=O)c1ccc(c(n1)OC)SC 62a_100010189641_200000210301 [0,2,0,0,0,0|1,1,0]=4 4798 B14R1.1864 COC(=O)c1ccc(c(n1)OC)SC 62a_200000210301_100010189641 [0,2,0,0,0,0|1,1,0]=4 4799 B14R1.1864 COC(=O)c1ccc(c(n1)OC)S[13CH3] 62a_100010189641_200025704644 [0,2,0,0,0,0|1,1,0]=4 4800 B14R1.1864 COC(=O)c1ccc(c(n1)OC)S[13CH3] 62a_200025704644_100010189641 [0,2,0,0,0,0|1,1,0]=4 4801 B14R1.1864 COC(=O)c1ccc(c(n1)SC)OC 62a_100010205418_200000210301 [0,2,0,0,0,0|1,1,0]=4 4802 B14R1.1864 COC(=O)c1ccc(c(n1)SC)OC 62a_200000210301_100010205418 [0,2,0,0,0,0|1,1,0]=4 4803 B14R1.1864 COC(=O)c1ccc(c(n1)S[13CH3])OC 62a_100010205418_200025704644 [0,2,0,0,0,0|1,1,0]=4 4804 B14R1.1864 COC(=O)c1ccc(c(n1)S[13CH3])OC 62a_200025704644_100010205418 [0,2,0,0,0,0|1,1,0]=4 4805 B14R1.1864 COC(=O)c1cnc(c(c1)OC)OC 34a_100009867281_200000210301 [0,2,0,0,0,0|1,0,0]=3 4806 B14R1.1864 COC(=O)c1cnc(c(c1)OC)SC 62a_100010136190_200000210301 [0,2,0,0,0,0|1,1,0]=4 4807 B14R1.1864 COC(=O)c1cnc(c(c1)OC)SC 62a_200000210301_100010074909 [0,2,0,0,0,0|1,1,0]=4 4808 B14R1.1864 COC(=O)c1cnc(c(c1)OC)S[13CH3] 62a_100010136190_200025704644 [0,2,0,0,0,0|1,1,0]=4 4809 B14R1.1864 COC(=O)c1cnc(c(c1)OC)S[13CH3] 62a_200025704644_100010074909 [0,2,0,0,0,0|1,1,0]=4 4810 B14R1.1864 COC(=O)c1cnc(c(c1)O[13CH3])OC 34a_100009867281_200025704644 [0,2,0,0,0,0|1,0,0]=3 4811 B14R1.1864 COC(=O)c1cnc(c(c1)SC)OC 62a_100010189640_200000210301 [0,2,0,0,0,0|1,1,0]=4 4812 B14R1.1864 COC(=O)c1cnc(c(c1)SC)OC 62a_200000210301_100010189640 [0,2,0,0,0,0|1,1,0]=4 4813 B14R1.1864 COC(=O)c1cnc(c(c1)S[13CH3])OC 62a_100010189640_200025704644 [0,2,0,0,0,0|1,1,0]=4 4814 B14R1.1864 COC(=O)c1cnc(c(c1)S[13CH3])OC 62a_200025704644_100010189640 [0,2,0,0,0,0|1,1,0]=4 4815 B14R1.1864 COc1cc(ccc1C#N)C(=O)CF 1458a_100009879710_100015361967 [0,2,0,0,0,0|2,0,0]=4 4816 B14R1.1864 COc1cc(ccc1O[13CH3])C(=NO)N 34a_200000748009_200025704644 [0,2,0,0,0,0|0,0,1]=3 4817 B14R1.1864 COc1cc(ccc1O[13CH3])C(=O)NN 34a_100000008232_200025704644 [0,2,0,0,0,0|0,0,0]=2 4818 B14R1.1864 COc1ccc(cc1C#N)C(=O)CF 1458a_100011999887_100015361967 [0,2,0,0,0,0|2,0,0]=4 4819 B14R1.1864 COc1ccc(cc1CO)C(=O)CBr 7a_100010262812_200000210301 [0,2,0,0,0,0|2,0,0]=4 4820 B14R1.1864 COc1ccc(cc1OC)C(=NO)N 34a_200000748009_200000210301 [0,2,0,0,0,0|0,0,1]=3 4821 B14R1.1864 COc1ccc(cc1OC)C(=O)CF 1458a_100000211223_100015361967 [0,2,0,0,0,0|0,0,0]=2 4822 B14R1.1864 COc1ccc(cc1OC)C(=O)NN 34a_100000008232_200000210301 [0,2,0,0,0,0|0,0,0]=2 4823 B14R1.1864 COc1ccc(cc1OC)C(=O)NN 34a_200012634778_200000210301 [0,2,0,0,0,0|0,0,0]=2 4824 B14R1.1864 COc1ccc(cc1OC)C(C)OC 34a_100000246476_200000210301 [0,2,0,0,0,0|0,0,2]=4 4825 B14R1.1864 COc1ccc(cc1OC)C(C)OC 7a_100000246476_200000210301 [0,2,0,0,0,0|0,0,2]=4 4826 B14R1.1864 COc1ccc(cc1OC)C(C)O[13CH3] 34a_100000246476_200025704644 [0,2,0,0,0,0|0,0,2]=4 4827 B14R1.1864 COc1ccc(cc1OC)C(C)O[13CH3] 7a_100000246476_200025704644 [0,2,0,0,0,0|0,0,2]=4 4828 B14R1.1864 COc1ccc(cc1OC)[C@@H](C)N[13CH3] 2230a_100025717294_200025704644 [0,2,0,0,0,0|1,0,1]=4 4829 B14R1.1864 COc1ccc(cc1O[13CH3])C(=O)NN 34a_200012634778_200025704644 [0,2,0,0,0,0|0,0,0]=2 4830 B14R1.1864 COc1ccc(cc1SC)C(=O)NN 62a_100000186317_200000210301 [0,2,0,0,0,0|0,1,0]=3 4831 B14R1.1864 COc1ccc(cc1SC)C(=O)NN 62a_200000210301_100000186317 [0,2,0,0,0,0|0,1,0]=3 4832 B14R1.1864 COc1ccc(cc1S[13CH3])C(=O)NN 62a_100000186317_200025704644 [0,2,0,0,0,0|0,1,0]=3 4833 B14R1.1864 COc1ccc(cc1S[13CH3])C(=O)NN 62a_200025704644_100000186317 [0,2,0,0,0,0|0,1,0]=3 4834 B14R1.1864 [13CH3]Oc1ccc(cc1CO)C(=O)CBr 7a_100010262812_200025704644 [0,2,0,0,0,0|2,0,0]=4 4835 B14R1.3237 CNCc1cc(c(c(c1)OC)OC)Br 207a_100102657272_100000183470 [0,2,0,0,0,0|1,0,1]=4 4836 B14R1.3237 CNCc1cc(c(c(c1)OC)OC)Br 270004a_106832991635_100000183470 [0,2,0,0,0,0|1,0,1]=4 4837 B14R1.3237 CNCc1cc(c(c(c1)OC)OC)Br 34a_100000748475_200000210301 [0,2,0,0,0,0|1,0,1]=4 4838 B14R1.3237 CNCc1cc(c(c(c1)OC)OC)Cl 207a_100102657272_100000184546 [0,2,0,0,0,0|1,0,1]=4 4839 B14R1.3237 CNCc1cc(c(c(c1)OC)OC)Cl 270004a_106832991635_100000184546 [0,2,0,0,0,0|1,0,1]=4 4840 B14R1.3237 CNCc1cc(c(c(c1)OC)OC)I 207a_100102657272_100000188315 [0,2,0,0,0,0|1,0,1]=4 4841 B14R1.3237 CNCc1cc(c(c(c1)OC)OC)I 270004a_106832991635_100000188315 [0,2,0,0,0,0|1,0,1]=4 4842 B14R1.3237 COCc1cc(c(c(c1)OC)OC)Br 34a_200000215730_200000210301 [0,2,0,0,0,0|0,0,2]=4 4843 B14R1.3237 COc1cc(cc(c1OC)Br)CN[13CH3] 34a_100000748475_200025704644 [0,2,0,0,0,0|1,0,1]=4 4844 B14R1.3237 COc1cc(cc(c1OC)Br)CO[13CH3] 34a_200000215730_200025704644 [0,2,0,0,0,0|0,0,2]=4 4845 B14R1.3651 C=Cc1cc(ccc1OC)CC(=O)C 271570a_100011290941_100011493462 [0,2,0,0,0,0|1,0,1]=4 4846 B14R1.3651 CCc1cc(ccc1OC)C=C(C)C 271570a_100102525489_200010179862 [0,2,0,0,0,0|2,0,0]=4 4847 B14R1.3651 CCc1ccc(cc1OC)C=C(C)C 271570a_100102525489_200010710398 [0,2,0,0,0,0|2,0,0]=4 4848 B14R1.3651 CNc1cc(ccc1OC)NC(=O)C 34a_100000211725_200000210301 [0,2,0,0,0,0|1,0,0]=3 4849 B14R1.3651 COc1cc(ccc1C#N)NC(=O)C 11a_100011999456_100015343762 [0,2,0,0,0,0|2,0,0]=4 4850 B14R1.3651 COc1cc(ccc1C#N)NC(=O)C 1626a_100011999456_100015343762 [0,2,0,0,0,0|2,0,0]=4 4851 B14R1.3651 COc1cc(ccc1C#N)NC(=O)C 527a_100011999456_100103153847 [0,2,0,0,0,0|2,0,0]=4 4852 B14R1.3651 COc1cc(ccc1CO)NC(=O)C 22a_100012183141_100000070787 [0,2,0,0,0,0|2,0,0]=4 4853 B14R1.3651 COc1cc(ccc1O[13CH3])CC(=O)C 34a_200000039568_200025704644 [0,2,0,0,0,0|0,0,0]=2 4854 B14R1.3651 COc1cc(ccc1SC)C=C(C)C 271570a_100102525489_200011001119 [0,2,0,0,0,0|1,1,0]=4 4855 B14R1.3651 COc1cc(cnc1OC)C=C(C)C 271570a_100102525489_100010234541 [0,2,0,0,0,0|2,0,0]=4 4856 B14R1.3651 COc1ccc(cc1C#N)NC(=O)C 11a_100011204338_100015343762 [0,2,0,0,0,0|2,0,0]=4 4857 B14R1.3651 COc1ccc(cc1C#N)NC(=O)C 1626a_100011204338_100015343762 [0,2,0,0,0,0|2,0,0]=4 4858 B14R1.3651 COc1ccc(cc1C#N)NC(=O)C 22a_100011204338_100000070787 [0,2,0,0,0,0|2,0,0]=4 4859 B14R1.3651 COc1ccc(cc1C#N)NC(=O)C 527a_100011204338_100103153847 [0,2,0,0,0,0|2,0,0]=4 4860 B14R1.3651 COc1ccc(cc1N[13CH3])NC(=O)C 34a_100000211725_200025704644 [0,2,0,0,0,0|1,0,0]=3 4861 B14R1.3651 COc1ccc(cc1OC)C=C(C)C 271570a_100102525489_100000187503 [0,2,0,0,0,0|1,0,0]=3 4862 B14R1.3651 COc1ccc(cc1OC)CC(=O)C 1458a_100000184093_200000210301 [0,2,0,0,0,0|0,0,0]=2 4863 B14R1.3651 COc1ccc(cc1OC)CC(=O)C 34a_200000039568_200000210301 [0,2,0,0,0,0|0,0,0]=2 4864 B14R1.3651 COc1ccc(cc1OC)CC(=O)[13CH3] 1458a_100000184093_200025704644 [0,2,0,0,0,0|0,0,0]=2 4865 B14R1.3651 COc1ccc(cc1OC)CN(C)C 2230a_100000180827_200000210301 [0,2,0,0,0,0|1,0,1]=4 4866 B14R1.3651 COc1ccc(cc1OC)CN(C)C 2230a_100102631434_100011233839 [0,2,0,0,0,0|1,0,1]=4 4867 B14R1.3651 COc1ccc(cc1OC)CN(C)C 269982a_100000180827_200000210301 [0,2,0,0,0,0|1,0,1]=4 4868 B14R1.3651 COc1ccc(cc1OC)CN(C)C 269982a_100102631434_100011233839 [0,2,0,0,0,0|1,0,1]=4 4869 B14R1.3651 COc1ccc(cc1OC)CN(C)C 270004a_100102631434_100000170513 [0,2,0,0,0,0|1,0,1]=4 4870 B14R1.3651 COc1ccc(cc1OC)CN(C)[13CH3] 2230a_100000180827_200025704644 [0,2,0,0,0,0|1,0,1]=4 4871 B14R1.3651 COc1ccc(cc1OC)CN(C)[13CH3] 269982a_100000180827_200025704644 [0,2,0,0,0,0|1,0,1]=4 4872 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 11a_100000187404_100015343762 [0,2,0,0,0,0|0,0,0]=2 4873 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 1626a_100000187404_100015343762 [0,2,0,0,0,0|0,0,0]=2 4874 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 22a_100000187404_100000070787 [0,2,0,0,0,0|0,0,0]=2 4875 B14R1.3651 COc1ccc(cc1OC)NC(=O)C 527a_100000187404_100103153847 [0,2,0,0,0,0|0,0,0]=2 4876 B14R1.3651 COc1ccc(cc1OC)NC(C)C 34a_100000187404_100000210206 [0,2,0,0,0,0|1,0,1]=4 4877 B14R1.3651 COc1ccc(cc1OC)OC(C)C 34a_100000039706_100000210206 [0,2,0,0,0,0|1,0,1]=4 4878 B14R1.3651 COc1ccc(cc1OC)SC(C)C 62a_100000210206_100011356967 [0,2,0,0,0,0|1,0,1]=4 4879 B14R1.3651 COc1ccc(cc1SC)C=C(C)C 271570a_100102525489_200009892704 [0,2,0,0,0,0|1,1,0]=4 4880 B14R1.3651 COc1ccc(cc1SC)CC(=O)C 62a_100011493462_200000210301 [0,2,0,0,0,0|0,1,0]=3 4881 B14R1.3651 COc1ccc(cc1SC)CC(=O)C 62a_200000210301_100011493462 [0,2,0,0,0,0|0,1,0]=3 4882 B14R1.3651 COc1ccc(cc1S[13CH3])CC(=O)C 62a_100011493462_200025704644 [0,2,0,0,0,0|0,1,0]=3 4883 B14R1.3651 COc1ccc(cc1S[13CH3])CC(=O)C 62a_200025704644_100011493462 [0,2,0,0,0,0|0,1,0]=3 4884 B14R1.3651 COc1ccc(nc1OC)C=C(C)C 271570a_100102525489_100010214848 [0,2,0,0,0,0|2,0,0]=4 4885 B14R1.6788 C=C=Cc1ccc(c(c1)CC)OCC 271570a_100015277604_200010070707 [0,2,0,0,0,0|2,0,0]=4 4886 B14R1.6788 C=C=Cc1ccc(c(c1)OC)OCC 271570a_100015277604_200012344064 [0,2,0,0,0,0|1,0,0]=3 4887 B14R1.6788 C=C=Cc1cnc(c(c1)OC)OCC 271570a_100015277604_200010116856 [0,2,0,0,0,0|2,0,0]=4 4888 B14R1.6788 C=CCc1ccc(c(c1)OC)CNC 26a_100102657272_100000181329 [0,2,0,0,0,0|2,0,0]=4 4889 B14R1.6788 C=CCc1ccc(c(c1)OC)OCC 34a_100000181329_100000210202 [0,2,0,0,0,0|1,0,0]=3 4890 B14R1.6788 C=CCc1ccc(c(c1)OC)OCF 34a_100000181329_100015361967 [0,2,0,0,0,0|1,0,0]=3 4891 B14R1.6788 CC=Cc1ccc(c(c1)CC)OCC 271570a_100016259895_200010070707 [0,2,0,0,0,0|2,0,0]=4 4892 B14R1.6788 CC=Cc1ccc(c(c1)OC)CNC 26a_100102657272_100015195088 [0,2,0,0,0,0|2,0,0]=4 4893 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC 271570a_100016259895_200012344064 [0,2,0,0,0,0|1,0,0]=3 4894 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC 34a_100000057189_200000210301 [0,2,0,0,0,0|1,0,0]=3 4895 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC 34a_100015195088_100000210202 [0,2,0,0,0,0|1,0,0]=3 4896 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC 7a_100000057189_200000210301 [0,2,0,0,0,0|1,0,0]=3 4897 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCF 34a_100015195088_100015361967 [0,2,0,0,0,0|1,0,0]=3 4898 B14R1.6788 CC=Cc1ccc(c(c1)O[13CH3])OCC 34a_100000057189_200025704644 [0,2,0,0,0,0|1,0,0]=3 4899 B14R1.6788 CC=Cc1ccc(c(c1)O[13CH3])OCC 7a_100000057189_200025704644 [0,2,0,0,0,0|1,0,0]=3 4900 B14R1.6788 CC=Cc1cnc(c(c1)OC)OCC 271570a_100016259895_200010116856 [0,2,0,0,0,0|2,0,0]=4 4901 B14R1.6788 CCCc1ccc(c(c1)OC)OCC 34a_100000012292_100000210202 [0,2,0,0,0,0|1,0,1]=4 4902 B14R1.6788 CCCc1ccc(c(c1)OC)OCC 7a_100000012292_100000210202 [0,2,0,0,0,0|1,0,1]=4 4903 B14R1.6788 CCCc1ccc(c(c1)OC)OCF 34a_100000012292_100015361967 [0,2,0,0,0,0|1,0,1]=4 4904 B14R1.6788 CCCc1ccc(c(c1)OC)OCF 7a_100000012292_100015361967 [0,2,0,0,0,0|1,0,1]=4 4905 B14R1.6788 CCNc1ccc(c(c1)OC)OCC 2230a_100000184985_100000210202 [0,2,0,0,0,0|1,0,1]=4 4906 B14R1.6788 CCNc1ccc(c(c1)OC)OCC 34a_100000184985_100000210202 [0,2,0,0,0,0|1,0,1]=4 4907 B14R1.6788 CCOc1ccc(cc1OC)CC#N 34a_100000032377_100000210202 [0,2,0,0,0,0|1,0,1]=4 4908 B14R1.6788 CCOc1ccc(cc1OC)CCBr 34a_100010741665_100000210202 [0,2,0,0,0,0|1,0,1]=4 4909 B14R1.6788 CCOc1ccc(cc1OC)CCBr 7a_100010741665_100000210202 [0,2,0,0,0,0|1,0,1]=4 4910 B14R1.6788 CCOc1ccc(cc1OC)CCN 34a_100000756042_100000210202 [0,2,0,0,0,0|1,0,1]=4 4911 B14R1.6788 CCOc1ccc(cc1OC)CCO 34a_100011215244_100000210202 [0,2,0,0,0,0|0,0,2]=4 4912 B14R1.6788 CCOc1ccc(cc1OC)CNC 207a_100102657272_100000169853 [0,2,0,0,0,0|1,0,1]=4 4913 B14R1.6788 CCOc1ccc(cc1OC)CNC 2230a_200000739100_200000210301 [0,2,0,0,0,0|1,0,1]=4 4914 B14R1.6788 CCOc1ccc(cc1OC)CNC 270004a_106832991635_100000169853 [0,2,0,0,0,0|1,0,1]=4 4915 B14R1.6788 CCOc1ccc(cc1OC)CNC 34a_200000739100_200000210301 [0,2,0,0,0,0|1,0,1]=4 4916 B14R1.6788 CCOc1ccc(cc1OC)CN[13CH3] 2230a_200000739100_200025704644 [0,2,0,0,0,0|1,0,1]=4 4917 B14R1.6788 CCOc1ccc(cc1OC)CN[13CH3] 34a_200000739100_200025704644 [0,2,0,0,0,0|1,0,1]=4 4918 B14R1.6788 CCOc1ccc(cc1OC)COC 34a_100000184821_200000210301 [0,2,0,0,0,0|0,0,2]=4 4919 B14R1.6788 CCOc1ccc(cc1OC)CO[13CH3] 34a_100000184821_200025704644 [0,2,0,0,0,0|0,0,2]=4 4920 B14R1.6788 CCOc1ccc(cc1OC)NCF 34a_100000184985_100015361967 [0,2,0,0,0,0|1,0,1]=4 4921 B14R1.6788 COc1cc(ccc1OCF)CC#N 34a_100000032377_100015361967 [0,2,0,0,0,0|1,0,1]=4 4922 B14R1.6788 COc1cc(ccc1OCF)CCBr 34a_100010741665_100015361967 [0,2,0,0,0,0|1,0,1]=4 4923 B14R1.6788 COc1cc(ccc1OCF)CCBr 7a_100010741665_100015361967 [0,2,0,0,0,0|1,0,1]=4 4924 B14R1.6788 COc1cc(ccc1OCF)CCN 34a_100000756042_100015361967 [0,2,0,0,0,0|1,0,1]=4 4925 B14R1.6788 COc1cc(ccc1OCF)CCO 34a_100011215244_100015361967 [0,2,0,0,0,0|0,0,2]=4 4926 B14R1.6794 C=C=Cc1ccc(c(c1)C(=O)C)OC 271570a_100015277604_100000173343 [0,2,0,0,0,0|2,0,0]=4 4927 B14R1.6794 CC=Cc1ccc(c(c1)C(=O)C)OC 271570a_100016259895_100000173343 [0,2,0,0,0,0|2,0,0]=4 4928 B14R1.10285 C=C=Cc1ccc(c(c1C)OC)OC 271570a_100015277604_100010000156 [0,2,0,0,0,0|1,0,0]=3 4929 B14R1.10285 CC=Cc1ccc(c(c1C)OC)OC 271570a_100016259895_100010000156 [0,2,0,0,0,0|1,0,0]=3 4930 B14R1.10285 CCSc1ccc(c(c1C)OC)OC 62a_100000210202_100010000156 [0,2,0,0,0,0|1,0,1]=4 4931 B14R1.10285 CNCc1ccc(c(c1Br)OC)OC 207a_100102657272_100009814707 [0,2,0,0,0,0|1,0,1]=4 4932 B14R1.10285 CNCc1ccc(c(c1Br)OC)OC 270004a_106832991635_100009814707 [0,2,0,0,0,0|1,0,1]=4 4933 B14R1.10285 CNCc1ccc(c(c1C)OC)OC 207a_100102657272_100000050322 [0,2,0,0,0,0|1,0,1]=4 4934 B14R1.10285 CNCc1ccc(c(c1C)OC)OC 270004a_106832991635_100000050322 [0,2,0,0,0,0|1,0,1]=4 4935 B14R1.10285 CNCc1ccc(c(c1Cl)OC)OC 207a_100102657272_100000033805 [0,2,0,0,0,0|1,0,1]=4 4936 B14R1.10285 CNCc1ccc(c(c1Cl)OC)OC 2230a_106832991635_100011890039 [0,2,0,0,0,0|1,0,1]=4 4937 B14R1.10285 CNCc1ccc(c(c1Cl)OC)OC 270004a_106832991635_100000033805 [0,2,0,0,0,0|1,0,1]=4 4938 B14R1.10285 CNCc1ccc(c(c1Cl)OC)OC 34a_102515433231_200000210301 [0,2,0,0,0,0|1,0,1]=4 4939 B14R1.10285 CNCc1ccc(c(c1Cl)OC)OC 7a_106832991635_100011890039 [0,2,0,0,0,0|1,0,1]=4 4940 B14R1.10285 CNCc1ccc(c(c1F)OC)OC 207a_100102657272_100009852382 [0,2,0,0,0,0|1,0,1]=4 4941 B14R1.10285 CNCc1ccc(c(c1F)OC)OC 270004a_106832991635_100009852382 [0,2,0,0,0,0|1,0,1]=4 4942 B14R1.10285 CNCc1ccc(c(c1I)OC)OC 207a_100102657272_100010191550 [0,2,0,0,0,0|1,0,1]=4 4943 B14R1.10285 CNCc1ccc(c(c1I)OC)OC 270004a_106832991635_100010191550 [0,2,0,0,0,0|1,0,1]=4 4944 B14R1.10285 COCc1ccc(c(c1Cl)OC)OC 34a_100011218542_200000210301 [0,2,0,0,0,0|0,0,2]=4 4945 B14R1.10285 COCc1ccc(c(c1Cl)OC)OC 7a_100011218542_200000210301 [0,2,0,0,0,0|0,0,2]=4 4946 B14R1.10285 COc1ccc(c(c1OC)C)SCF 62a_100015361967_100010000156 [0,2,0,0,0,0|1,0,1]=4 4947 B14R1.10285 COc1ccc(c(c1OC)Cl)CN[13CH3] 34a_102515433231_200025704644 [0,2,0,0,0,0|1,0,1]=4 4948 B14R1.10285 COc1ccc(c(c1OC)Cl)CO[13CH3] 34a_100011218542_200025704644 [0,2,0,0,0,0|0,0,2]=4 4949 B14R1.10285 COc1ccc(c(c1OC)Cl)CO[13CH3] 7a_100011218542_200025704644 [0,2,0,0,0,0|0,0,2]=4 4950 B14R1.10285 COc1ccc(c(c1OC)Cl)CSC 62a_200000210301_100011890039 [0,2,0,0,0,0|0,1,1]=4 4951 B14R1.10285 COc1ccc(c(c1OC)Cl)CS[13CH3] 62a_200025704644_100011890039 [0,2,0,0,0,0|0,1,1]=4 4952 B14R1.14946 C=C=Cc1cc(c(cc1F)OC)OC 271570a_100015277604_200011765842 [0,2,0,0,0,0|1,0,0]=3 4953 B14R1.14946 C=C=Cc1nc(c(cc1C)OC)OC 271570a_100015277604_200011016175 [0,2,0,0,0,0|2,0,0]=4 4954 B14R1.14946 CC=Cc1cc(c(cc1F)OC)OC 271570a_100016259895_200011765842 [0,2,0,0,0,0|1,0,0]=3 4955 B14R1.14946 CC=Cc1nc(c(cc1C)OC)OC 271570a_100016259895_200011016175 [0,2,0,0,0,0|2,0,0]=4 4956 B14R1.14946 CCNc1cc(c(cc1C)OC)OC 34a_100000183460_100000210202 [0,2,0,0,0,0|1,0,1]=4 4957 B14R1.14946 CCNc1cc(c(cc1F)OC)OC 34a_100000753170_100000210202 [0,2,0,0,0,0|1,0,1]=4 4958 B14R1.14946 CCSc1cc(c(cc1F)OC)OC 62a_200011765842_100000210202 [0,2,0,0,0,0|1,0,1]=4 4959 B14R1.14946 CNCc1cc(c(cc1Br)OC)OC 207a_100102657272_100000170863 [0,2,0,0,0,0|1,0,1]=4 4960 B14R1.14946 CNCc1cc(c(cc1Br)OC)OC 270004a_106832991635_100000170863 [0,2,0,0,0,0|1,0,1]=4 4961 B14R1.14946 CNCc1cc(c(cc1Br)OC)OC 34a_100102657272_100011375086 [0,2,0,0,0,0|1,0,1]=4 4962 B14R1.14946 CNCc1cc(c(cc1Br)OC)OC 7a_106832991635_100011375086 [0,2,0,0,0,0|1,0,1]=4 4963 B14R1.14946 CNCc1cc(c(cc1C)OC)OC 207a_100102657272_100000685059 [0,2,0,0,0,0|1,0,1]=4 4964 B14R1.14946 CNCc1cc(c(cc1C)OC)OC 270004a_106832991635_100000685059 [0,2,0,0,0,0|1,0,1]=4 4965 B14R1.14946 CNCc1cc(c(cc1Cl)OC)OC 207a_100102657272_100000186741 [0,2,0,0,0,0|1,0,1]=4 4966 B14R1.14946 CNCc1cc(c(cc1Cl)OC)OC 270004a_106832991635_100000186741 [0,2,0,0,0,0|1,0,1]=4 4967 B14R1.14946 CNCc1cc(c(cc1F)OC)OC 207a_100102657272_100011218750 [0,2,0,0,0,0|1,0,1]=4 4968 B14R1.14946 CNCc1cc(c(cc1F)OC)OC 270004a_106832991635_100011218750 [0,2,0,0,0,0|1,0,1]=4 4969 B14R1.14946 CNCc1cc(c(cc1F)OC)OC 34a_100132302102_200000210301 [0,2,0,0,0,0|1,0,1]=4 4970 B14R1.14946 CNCc1cc(c(cc1I)OC)OC 207a_100102657272_100010174930 [0,2,0,0,0,0|1,0,1]=4 4971 B14R1.14946 CNCc1cc(c(cc1I)OC)OC 270004a_106832991635_100010174930 [0,2,0,0,0,0|1,0,1]=4 4972 B14R1.14946 COCc1cc(c(cc1Br)OC)OC 34a_100138415774_100011375086 [0,2,0,0,0,0|0,0,2]=4 4973 B14R1.14946 COCc1cc(c(cc1Br)OC)OC 34a_200000246283_200000210301 [0,2,0,0,0,0|0,0,2]=4 4974 B14R1.14946 COCc1cc(c(cc1Br)OC)OC 7a_200000246283_200000210301 [0,2,0,0,0,0|0,0,2]=4 4975 B14R1.14946 COc1cc(c(cc1OC)CC#N)O 271570a_203496583355_100000199111 [0,2,0,0,0,0|1,0,1]=4 4976 B14R1.14946 COc1cc(c(cc1OC)CCN)O 271570a_203496583355_200000215632 [0,2,0,0,0,0|1,0,1]=4 4977 B14R1.14946 COc1cc(c(cc1OC)CN[13CH3])F 34a_100132302102_200025704644 [0,2,0,0,0,0|1,0,1]=4 4978 B14R1.14946 COc1cc(c(cc1OC)CO[13CH3])Br 34a_200000246283_200025704644 [0,2,0,0,0,0|0,0,2]=4 4979 B14R1.14946 COc1cc(c(cc1OC)CO[13CH3])Br 7a_200000246283_200025704644 [0,2,0,0,0,0|0,0,2]=4 4980 B14R1.14946 COc1cc(c(cc1OC)CSC)Br 62a_100011375086_200000210301 [0,2,0,0,0,0|0,1,1]=4 4981 B14R1.14946 COc1cc(c(cc1OC)CS[13CH3])Br 62a_100011375086_200025704644 [0,2,0,0,0,0|0,1,1]=4 4982 B14R1.14946 COc1cc(c(cc1OC)NCF)C 34a_100000183460_100015361967 [0,2,0,0,0,0|1,0,1]=4 4983 B14R1.14946 COc1cc(c(cc1OC)NCF)F 34a_100000753170_100015361967 [0,2,0,0,0,0|1,0,1]=4 4984 B14R1.14946 COc1cc(c(cc1OC)SCF)F 62a_200011765842_100015361967 [0,2,0,0,0,0|1,0,1]=4 4985 B14R1.350 CNc1c(cc(cc1OC)[N+](=O)[O-])C 34a_100011086007_200000210301 [0,2,0,0,0,0|2,0,0]=4 4986 B14R1.350 COc1cc(cc(c1N[13CH3])C)[N+](=O)[O-] 34a_100011086007_200025704644 [0,2,0,0,0,0|2,0,0]=4 4987 B14R1.350 COc1cc(cc(c1OC)Cl)C(=O)C 1458a_100000180162_200000210301 [0,2,0,0,0,0|0,0,0]=2 4988 B14R1.350 COc1cc(cc(c1OC)Cl)C(=O)[13CH3] 1458a_100000180162_200025704644 [0,2,0,0,0,0|0,0,0]=2 4989 B14R1.350 COc1cc(cc(c1OC)O)C(=O)C 1458a_100000032013_200000210301 [0,2,0,0,0,0|0,0,0]=2 4990 B14R1.350 COc1cc(cc(c1OC)O)C(=O)[13CH3] 1458a_100000032013_200025704644 [0,2,0,0,0,0|0,0,0]=2 4991 B14R1.564 COc1c(cc(cc1B(O)O)C=O)O 271570a_203496583355_100010204613 [0,2,0,0,0,0|2,0,0]=4 4992 B14R1.576 C=Cc1cc(c(c(c1)OC)OC)C#N 271570a_100011290941_200010153271 [0,2,0,0,0,0|1,0,0]=3 4993 B14R1.576 C=Cc1cc(c(c(c1)OC)OC)C=O 271570a_100011290941_100009812253 [0,2,0,0,0,0|1,0,0]=3 4994 B14R1.576 C=Cc1cc(c(c(c1)OC)OC)OC 271570a_100011290941_100009814342 [0,2,0,0,0,0|1,0,0]=3 4995 B14R1.576 C=Cc1cc(cc(c1OC)OC)C#N 271570a_100011290941_100009812337 [0,2,0,0,0,0|1,0,1]=4 4996 B14R1.576 C=Cc1cc(cc(c1OC)OC)C=O 271570a_100011290941_100000188315 [0,2,0,0,0,0|0,0,0]=2 4997 B14R1.576 C=Cc1cc(cc(c1OC)OC)CO 271570a_100011290941_200000215730 [0,2,0,0,0,0|0,0,2]=4 4998 B14R1.576 CNc1cc(c(c(c1)OC)OC)OC 34a_100000209829_200000210301 [0,2,0,0,0,0|2,0,0]=4 4999 B14R1.576 COc1cc(c(c(c1)OC)OC)OC 34a_100000757337_200000210301 [0,2,0,0,0,0|2,0,0]=4 5000 B14R1.576 COc1cc(c(c(c1)OC)OC)OC 34a_200000073592_200000210301 [0,2,0,0,0,0|2,0,0]=4 5001 B14R1.576 COc1cc(c(c(c1)OC)O[13CH3])OC 34a_200000073592_200025704644 [0,2,0,0,0,0|2,0,0]=4 5002 B14R1.576 COc1cc(cc(c1OC)C#N)SC 62a_200000210301_200010153271 [0,2,0,0,0,0|2,0,0]=4 5003 B14R1.576 COc1cc(cc(c1OC)C#N)S[13CH3] 62a_200025704644_200010153271 [0,2,0,0,0,0|2,0,0]=4 5004 B14R1.576 COc1cc(cc(c1OC)OC)CO 34a_200011216933_200000210301 [0,2,0,0,0,0|0,0,2]=4 5005 B14R1.576 COc1cc(cc(c1OC)OC)N[13CH3] 34a_100000209829_200025704644 [0,2,0,0,0,0|2,0,0]=4 5006 B14R1.576 COc1cc(cc(c1OC)OC)O[13CH3] 34a_100000757337_200025704644 [0,2,0,0,0,0|2,0,0]=4 5007 B14R1.576 COc1cc(cc(c1OC)SC)C#N 62a_200000210301_100009812337 [0,2,0,0,0,0|1,0,1]=4 5008 B14R1.576 COc1cc(cc(c1OC)SC)C=O 62a_100000188315_200000210301 [0,2,0,0,0,0|0,0,0]=2 5009 B14R1.576 COc1cc(cc(c1OC)SC)C=O 62a_200000210301_100000188315 [0,2,0,0,0,0|0,0,0]=2 5010 B14R1.576 COc1cc(cc(c1OC)SC)CN 62a_100000748475_200000210301 [0,2,0,0,0,0|1,0,1]=4 5011 B14R1.576 COc1cc(cc(c1OC)SC)CN 62a_200000210301_100000748475 [0,2,0,0,0,0|1,0,1]=4 5012 B14R1.576 COc1cc(cc(c1OC)SC)CO 62a_200000210301_200000215730 [0,2,0,0,0,0|0,0,2]=4 5013 B14R1.576 COc1cc(cc(c1OC)SC)CO 62a_200000215730_200000210301 [0,2,0,0,0,0|0,0,2]=4 5014 B14R1.576 COc1cc(cc(c1OC)S[13CH3])C#N 62a_200025704644_100009812337 [0,2,0,0,0,0|1,0,1]=4 5015 B14R1.576 COc1cc(cc(c1OC)S[13CH3])C=O 62a_100000188315_200025704644 [0,2,0,0,0,0|0,0,0]=2 5016 B14R1.576 COc1cc(cc(c1OC)S[13CH3])C=O 62a_200025704644_100000188315 [0,2,0,0,0,0|0,0,0]=2 5017 B14R1.576 COc1cc(cc(c1OC)S[13CH3])CN 62a_100000748475_200025704644 [0,2,0,0,0,0|1,0,1]=4 5018 B14R1.576 COc1cc(cc(c1OC)S[13CH3])CN 62a_200025704644_100000748475 [0,2,0,0,0,0|1,0,1]=4 5019 B14R1.576 COc1cc(cc(c1OC)S[13CH3])CO 62a_200000215730_200025704644 [0,2,0,0,0,0|0,0,2]=4 5020 B14R1.576 COc1cc(cc(c1OC)S[13CH3])CO 62a_200025704644_200000215730 [0,2,0,0,0,0|0,0,2]=4 5021 B14R1.576 COc1cc(cc(c1O[13CH3])OC)CO 34a_200011216933_200025704644 [0,2,0,0,0,0|0,0,2]=4 5022 B14R1.576 COc1cc(cc(c1SC)OC)C=O 62a_100009814401_200000210301 [0,2,0,0,0,0|0,1,0]=3 5023 B14R1.576 COc1cc(cc(c1SC)OC)C=O 62a_200000210301_100009814401 [0,2,0,0,0,0|0,1,0]=3 5024 B14R1.576 COc1cc(cc(c1S[13CH3])OC)C=O 62a_100009814401_200025704644 [0,2,0,0,0,0|0,1,0]=3 5025 B14R1.576 COc1cc(cc(c1S[13CH3])OC)C=O 62a_200025704644_100009814401 [0,2,0,0,0,0|0,1,0]=3 5026 B14R1.14885 CCOc1c(cc(cc1OC)C#N)Br 34a_100000188612_100000210202 [0,2,0,0,0,0|1,0,1]=4 5027 B14R1.14885 CCOc1c(cc(cc1OC)C#N)Br 7a_100000188612_100000210202 [0,2,0,0,0,0|1,0,1]=4 5028 B14R1.14885 CCOc1c(cc(cc1OC)C#N)C 34a_200009855753_100000210202 [0,2,0,0,0,0|1,0,1]=4 5029 B14R1.14885 CCOc1c(cc(cc1OC)C#N)C 7a_200009855753_100000210202 [0,2,0,0,0,0|1,0,1]=4 5030 B14R1.14885 CCOc1c(cc(cc1OC)C#N)Cl 34a_100000014776_100000210202 [0,2,0,0,0,0|1,0,1]=4 5031 B14R1.14885 CCOc1c(cc(cc1OC)C#N)Cl 7a_100000014776_100000210202 [0,2,0,0,0,0|1,0,1]=4 5032 B14R1.14885 CCOc1c(cc(cc1OC)C#N)I 7a_100000014777_100000210202 [0,2,0,0,0,0|1,0,1]=4 5033 B14R1.14885 CCOc1c(cc(cc1OC)C#N)O 271570a_203496583355_100009812341 [0,2,0,0,0,0|1,0,1]=4 5034 B14R1.14885 CCOc1c(cc(cc1OC)C=O)O 271570a_203496583355_100000183235 [0,2,0,0,0,0|0,0,0]=2 5035 B14R1.14885 CCOc1c(cc(cc1OC)CO)Cl 34a_200000246286_100000210202 [0,2,0,0,0,0|0,0,2]=4 5036 B14R1.14885 CCOc1c(cc(cc1OC)CO)I 34a_200000022573_100000210202 [0,2,0,0,0,0|0,0,2]=4 5037 B14R1.14885 COc1cc(cc(c1OCF)Br)C#N 34a_100000188612_100015361967 [0,2,0,0,0,0|1,0,1]=4 5038 B14R1.14885 COc1cc(cc(c1OCF)Br)C#N 7a_100000188612_100015361967 [0,2,0,0,0,0|1,0,1]=4 5039 B14R1.14885 COc1cc(cc(c1OCF)C)C#N 34a_200009855753_100015361967 [0,2,0,0,0,0|1,0,1]=4 5040 B14R1.14885 COc1cc(cc(c1OCF)C)C#N 7a_200009855753_100015361967 [0,2,0,0,0,0|1,0,1]=4 5041 B14R1.14885 COc1cc(cc(c1OCF)Cl)C#N 34a_100000014776_100015361967 [0,2,0,0,0,0|1,0,1]=4 5042 B14R1.14885 COc1cc(cc(c1OCF)Cl)C#N 7a_100000014776_100015361967 [0,2,0,0,0,0|1,0,1]=4 5043 B14R1.14885 COc1cc(cc(c1OCF)Cl)CO 34a_200000246286_100015361967 [0,2,0,0,0,0|0,0,2]=4 5044 B14R1.14885 COc1cc(cc(c1OCF)I)C#N 7a_100000014777_100015361967 [0,2,0,0,0,0|1,0,1]=4 5045 B14R1.14885 COc1cc(cc(c1OCF)I)CO 34a_200000022573_100015361967 [0,2,0,0,0,0|0,0,2]=4 5046 B14R1.101 C=Cc1cc(ccc1OC(C)C)C=O 271570a_100011290941_200000173091 [0,2,0,0,0,0|1,0,1]=4 5047 B14R1.101 C=Cc1ccc(c(c1)OC)NC(=O)C 271570a_100011290941_100009813048 [0,2,0,0,0,0|2,0,0]=4 5048 B14R1.101 C=Cc1ccc(c(c1)OC)OC(C)C 271570a_100011290941_100012354883 [0,2,0,0,0,0|1,0,0]=3 5049 B14R1.101 C=Cc1ccc(c(c1)OC)OC(C)C 34a_100011217988_100000210206 [0,2,0,0,0,0|1,0,0]=3 5050 B14R1.101 CC(C)Oc1ccc(cc1S[13CH3])C=O 62a_200000173091_200025704644 [0,2,0,0,0,0|0,1,0]=3 5051 B14R1.101 CC(C)Oc1ccc(cc1S[13CH3])C=O 62a_200025704644_200000173091 [0,2,0,0,0,0|0,1,0]=3 5052 B14R1.101 CCc1ccc(c(c1)OC)OC(C)C 34a_100000186467_100000210206 [0,2,0,0,0,0|1,0,1]=4 5053 B14R1.101 CCc1ccc(c(c1)OC)OC(C)C 7a_100000186467_100000210206 [0,2,0,0,0,0|1,0,1]=4 5054 B14R1.101 CNc1ccc(c(c1)OC)OC(F)F 2230a_100011279676_200000210301 [0,2,0,0,0,0|2,0,0]=4 5055 B14R1.101 CNc1ccc(c(c1)OC)OC(F)F 34a_100011279676_200000210301 [0,2,0,0,0,0|2,0,0]=4 5056 B14R1.101 COc1cc(ccc1C=C(C)C)C=O 271570a_100102525489_100010244714 [0,2,0,0,0,0|1,0,0]=3 5057 B14R1.101 COc1cc(ccc1OC(C)C)C#N 34a_100000184589_100000210206 [0,2,0,0,0,0|1,0,1]=4 5058 B14R1.101 COc1cc(ccc1OC(C)C)C#N 7a_100000184589_100000210206 [0,2,0,0,0,0|1,0,1]=4 5059 B14R1.101 COc1cc(ccc1OC(C)C)CN 34a_100000185554_100000210206 [0,2,0,0,0,0|1,0,1]=4 5060 B14R1.101 COc1cc(ccc1OC(C)C)SC 62a_100012354883_200000210301 [0,2,0,0,0,0|2,0,0]=4 5061 B14R1.101 COc1cc(ccc1OC(C)C)SC 62a_200000210301_100012354883 [0,2,0,0,0,0|2,0,0]=4 5062 B14R1.101 COc1cc(ccc1OC(C)C)S[13CH3] 62a_100012354883_200025704644 [0,2,0,0,0,0|2,0,0]=4 5063 B14R1.101 COc1cc(ccc1OC(C)C)S[13CH3] 62a_200025704644_100012354883 [0,2,0,0,0,0|2,0,0]=4 5064 B14R1.101 COc1cc(ccc1OC(F)F)C#N 34a_200009848720_200000210301 [0,2,0,0,0,0|1,0,1]=4 5065 B14R1.101 COc1cc(ccc1OC(F)F)C#N 7a_200009848720_200000210301 [0,2,0,0,0,0|1,0,1]=4 5066 B14R1.101 COc1cc(ccc1OC(F)F)N[13CH3] 2230a_100011279676_200025704644 [0,2,0,0,0,0|2,0,0]=4 5067 B14R1.101 COc1cc(ccc1OC(F)F)N[13CH3] 34a_100011279676_200025704644 [0,2,0,0,0,0|2,0,0]=4 5068 B14R1.101 COc1cc(ccc1SC(C)C)C=O 62a_100000210206_100010244714 [0,2,0,0,0,0|0,1,0]=3 5069 B14R1.101 COc1cc(ccc1SC(C)C)C=O 62a_100010244714_100000210206 [0,2,0,0,0,0|0,1,0]=3 5070 B14R1.101 COc1ccc(c(c1)OC)OC(C)C 34a_100009840267_100000210206 [0,2,0,0,0,0|2,0,0]=4 5071 B14R1.101 CSc1cc(ccc1OC(C)C)C=O 62a_200000173091_200000210301 [0,2,0,0,0,0|0,1,0]=3 5072 B14R1.101 CSc1cc(ccc1OC(C)C)C=O 62a_200000210301_200000173091 [0,2,0,0,0,0|0,1,0]=3 5073 B14R1.101 [13CH3]Oc1cc(ccc1OC(F)F)C#N 34a_200009848720_200025704644 [0,2,0,0,0,0|1,0,1]=4 5074 B14R1.101 [13CH3]Oc1cc(ccc1OC(F)F)C#N 7a_200009848720_200025704644 [0,2,0,0,0,0|1,0,1]=4 5075 B14R1.1355 C#CCOc1ccc(cc1OC)C#N 34a_100000184589_100000184674 [0,2,0,0,0,0|1,0,1]=4 5076 B14R1.1355 C#CCOc1ccc(cc1OC)C#N 7a_100000184589_100000038162 [0,2,0,0,0,0|1,0,1]=4 5077 B14R1.1355 C#CCOc1ccc(cc1OC)C=C 34a_100011217988_100000184674 [0,2,0,0,0,0|1,0,0]=3 5078 B14R1.1355 C#CCOc1ccc(cc1OC)CC 34a_100000186467_100000184674 [0,2,0,0,0,0|1,0,1]=4 5079 B14R1.1355 C#CCOc1ccc(cc1OC)CC 7a_100000186467_100000038162 [0,2,0,0,0,0|1,0,1]=4 5080 B14R1.1355 C#CCOc1ccc(cc1OC)CN 34a_100000185554_100000184674 [0,2,0,0,0,0|1,0,1]=4 5081 B14R1.1355 C#CCOc1ccc(cc1OC)OC 34a_100009840267_100000184674 [0,2,0,0,0,0|2,0,0]=4 5082 B14R1.1355 C#CCSc1ccc(cc1OC)C=O 62a_100000038162_100010244714 [0,2,0,0,0,0|0,1,0]=3 5083 B14R1.1355 C=CCOc1ccc(cc1C=C)C=O 271570a_100011290941_100000173511 [0,2,0,0,0,0|1,0,1]=4 5084 B14R1.1355 C=CCOc1ccc(cc1OC)C#N 34a_100000184589_100015514636 [0,2,0,0,0,0|1,0,1]=4 5085 B14R1.1355 C=CCOc1ccc(cc1OC)C#N 7a_100000184589_100015514636 [0,2,0,0,0,0|1,0,1]=4 5086 B14R1.1355 C=CCOc1ccc(cc1OC)C=C 34a_100011217988_100015514636 [0,2,0,0,0,0|1,0,0]=3 5087 B14R1.1355 C=CCOc1ccc(cc1OC)CC 34a_100000186467_100015514636 [0,2,0,0,0,0|1,0,1]=4 5088 B14R1.1355 C=CCOc1ccc(cc1OC)CC 7a_100000186467_100015514636 [0,2,0,0,0,0|1,0,1]=4 5089 B14R1.1355 C=CCOc1ccc(cc1OC)CN 34a_100000185554_100015514636 [0,2,0,0,0,0|1,0,1]=4 5090 B14R1.1355 C=CCOc1ccc(cc1OC)OC 34a_100009840267_100015514636 [0,2,0,0,0,0|2,0,0]=4 5091 B14R1.1355 C=CCOc1ccc(cc1SC)C=O 62a_100000173511_200000210301 [0,2,0,0,0,0|0,1,0]=3 5092 B14R1.1355 C=CCOc1ccc(cc1SC)C=O 62a_200000210301_100000173511 [0,2,0,0,0,0|0,1,0]=3 5093 B14R1.1355 C=CCOc1ccc(cc1S[13CH3])C=O 62a_100000173511_200025704644 [0,2,0,0,0,0|0,1,0]=3 5094 B14R1.1355 C=CCOc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000173511 [0,2,0,0,0,0|0,1,0]=3 5095 B14R1.1355 C=CCSc1ccc(cc1OC)C=O 62a_100000210623_100010244714 [0,2,0,0,0,0|0,1,0]=3 5096 B14R1.1355 C=CCSc1ccc(cc1OC)C=O 62a_100010244714_100000210623 [0,2,0,0,0,0|0,1,0]=3 5097 B14R1.1355 C=Cc1cc(ccc1OCCC)C=O 271570a_100011290941_100000173362 [0,2,0,0,0,0|1,0,1]=4 5098 B14R1.1355 C=Cc1cc(ccc1OCOC)C=O 271570a_100011290941_100012265718 [0,2,0,0,0,0|1,0,1]=4 5099 B14R1.1355 C=Cc1ccc(c(c1)OC)OCC=O 34a_100011217988_200009817547 [0,2,0,0,0,0|1,0,0]=3 5100 B14R1.1355 C=Cc1ccc(c(c1)OC)OCCC 34a_100011217988_100000210303 [0,2,0,0,0,0|1,0,0]=3 5101 B14R1.1355 C=Cc1ccc(c(c1)OC)OCCF 34a_100011217988_100011217306 [0,2,0,0,0,0|1,0,0]=3 5102 B14R1.1355 C=Cc1ccc(c(c1)OC)OCCO 271570a_100011290941_100012347953 [0,2,0,0,0,0|1,0,0]=3 5103 B14R1.1355 C=Cc1ccc(c(c1)OC)OCCO 34a_100011217988_100000211926 [0,2,0,0,0,0|1,0,0]=3 5104 B14R1.1355 C=Cc1ccc(c(c1)OC)OCSC 34a_100011217988_100011218213 [0,2,0,0,0,0|1,0,0]=3 5105 B14R1.1355 CCCCc1ccc(cc1OC)C=O 271570a_100020621405_100010244714 [0,2,0,0,0,0|1,0,0]=3 5106 B14R1.1355 CCCOc1ccc(cc1OC)C#N 34a_100000184589_100000210303 [0,2,0,0,0,0|1,0,1]=4 5107 B14R1.1355 CCCOc1ccc(cc1OC)C#N 7a_100000184589_100000210303 [0,2,0,0,0,0|1,0,1]=4 5108 B14R1.1355 CCCOc1ccc(cc1OC)CC 34a_100000186467_100000210303 [0,2,0,0,0,0|1,0,1]=4 5109 B14R1.1355 CCCOc1ccc(cc1OC)CC 7a_100000186467_100000210303 [0,2,0,0,0,0|1,0,1]=4 5110 B14R1.1355 CCCOc1ccc(cc1OC)CN 34a_100000185554_100000210303 [0,2,0,0,0,0|1,0,1]=4 5111 B14R1.1355 CCCOc1ccc(cc1OC)NC 34a_100011611390_200000210301 [0,2,0,0,0,0|2,0,0]=4 5112 B14R1.1355 CCCOc1ccc(cc1OC)N[13CH3] 34a_100011611390_200025704644 [0,2,0,0,0,0|2,0,0]=4 5113 B14R1.1355 CCCOc1ccc(cc1OC)OC 34a_100009840267_100000210303 [0,2,0,0,0,0|2,0,0]=4 5114 B14R1.1355 CCCOc1ccc(cc1SC)C=O 62a_100000173362_200000210301 [0,2,0,0,0,0|0,1,0]=3 5115 B14R1.1355 CCCOc1ccc(cc1SC)C=O 62a_200000210301_100000173362 [0,2,0,0,0,0|0,1,0]=3 5116 B14R1.1355 CCCOc1ccc(cc1S[13CH3])C=O 62a_100000173362_200025704644 [0,2,0,0,0,0|0,1,0]=3 5117 B14R1.1355 CCCOc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000173362 [0,2,0,0,0,0|0,1,0]=3 5118 B14R1.1355 CCCSc1ccc(cc1OC)C=O 62a_100000210303_100010244714 [0,2,0,0,0,0|0,1,0]=3 5119 B14R1.1355 CCCSc1ccc(cc1OC)C=O 62a_100010244714_100000210303 [0,2,0,0,0,0|0,1,0]=3 5120 B14R1.1355 CCOCc1ccc(cc1OC)C#N 34a_100000102359_100000210202 [0,2,0,0,0,0|1,0,1]=4 5121 B14R1.1355 CCOCc1ccc(cc1OC)C#N 7a_100000102359_100000210202 [0,2,0,0,0,0|1,0,1]=4 5122 B14R1.1355 CCOCc1ccc(cc1OC)OC 34a_100011218031_100000210202 [0,2,0,0,0,0|2,0,0]=4 5123 B14R1.1355 CCOCc1ccc(cc1OC)OC 7a_100011218031_100000210202 [0,2,0,0,0,0|2,0,0]=4 5124 B14R1.1355 CCc1ccc(c(c1)OC)OCC#N 7a_100000186467_100011215382 [0,2,0,0,0,0|1,0,1]=4 5125 B14R1.1355 CCc1ccc(c(c1)OC)OCC=O 34a_100000186467_200009817547 [0,2,0,0,0,0|1,0,1]=4 5126 B14R1.1355 CCc1ccc(c(c1)OC)OCC=O 7a_100000186467_200015260668 [0,2,0,0,0,0|1,0,1]=4 5127 B14R1.1355 CCc1ccc(c(c1)OC)OCCF 34a_100000186467_100011217306 [0,2,0,0,0,0|1,0,1]=4 5128 B14R1.1355 CCc1ccc(c(c1)OC)OCCF 7a_100000186467_100011217306 [0,2,0,0,0,0|1,0,1]=4 5129 B14R1.1355 CCc1ccc(c(c1)OC)OCCO 34a_100000186467_100000211926 [0,2,0,0,0,0|1,0,1]=4 5130 B14R1.1355 CCc1ccc(c(c1)OC)OCCO 7a_100000186467_100000211926 [0,2,0,0,0,0|1,0,1]=4 5131 B14R1.1355 CCc1ccc(c(c1)OC)OCSC 34a_100000186467_100011218213 [0,2,0,0,0,0|1,0,1]=4 5132 B14R1.1355 CCc1ccc(c(c1)OC)SCOC 62a_100000766300_200010710389 [0,2,0,0,0,0|1,0,1]=4 5133 B14R1.1355 CCc1ccc(c(c1)OC)SCOC 62a_200010710389_100000766300 [0,2,0,0,0,0|1,0,1]=4 5134 B14R1.1355 COCCc1ccc(cc1OC)OC 34a_100011754575_200000210301 [0,2,0,0,0,0|2,0,0]=4 5135 B14R1.1355 COCCc1ccc(cc1OC)OC 7a_100011754575_200000210301 [0,2,0,0,0,0|2,0,0]=4 5136 B14R1.1355 COCNc1ccc(cc1OC)CO 2230a_100000087641_100000766300 [0,2,0,0,0,0|0,0,2]=4 5137 B14R1.1355 COCNc1ccc(cc1OC)OC 2230a_100000211191_100000766300 [0,2,0,0,0,0|2,0,0]=4 5138 B14R1.1355 COCNc1ccc(cc1OC)SC 2230a_100000766855_100000766300 [0,2,0,0,0,0|2,0,0]=4 5139 B14R1.1355 COCOc1ccc(cc1SC)C=O 62a_100012265718_200000210301 [0,2,0,0,0,0|0,1,0]=3 5140 B14R1.1355 COCOc1ccc(cc1SC)C=O 62a_200000210301_100012265718 [0,2,0,0,0,0|0,1,0]=3 5141 B14R1.1355 COCOc1ccc(cc1S[13CH3])C=O 62a_100012265718_200025704644 [0,2,0,0,0,0|0,1,0]=3 5142 B14R1.1355 COCOc1ccc(cc1S[13CH3])C=O 62a_200025704644_100012265718 [0,2,0,0,0,0|0,1,0]=3 5143 B14R1.1355 COCSc1ccc(cc1C#N)C=O 62a_100000766300_100010128726 [0,2,0,0,0,0|2,0,0]=4 5144 B14R1.1355 COCSc1ccc(cc1CO)C=O 62a_100000766300_100015639582 [0,2,0,0,0,0|2,0,0]=4 5145 B14R1.1355 COCSc1ccc(cc1CO)C=O 62a_100015639582_100000766300 [0,2,0,0,0,0|2,0,0]=4 5146 B14R1.1355 COCSc1ccc(cc1OC)C#N 62a_100000766300_100012356288 [0,2,0,0,0,0|1,0,1]=4 5147 B14R1.1355 COCSc1ccc(cc1OC)C=O 62a_100000766300_100010244714 [0,2,0,0,0,0|0,0,0]=2 5148 B14R1.1355 COCSc1ccc(cc1OC)C=O 62a_100010244714_100000766300 [0,2,0,0,0,0|0,0,0]=2 5149 B14R1.1355 COCSc1ccc(cc1OC)CO 62a_100000766300_100010234685 [0,2,0,0,0,0|0,0,2]=4 5150 B14R1.1355 COCSc1ccc(cc1OC)CO 62a_100010234685_100000766300 [0,2,0,0,0,0|0,0,2]=4 5151 B14R1.1355 COCSc1ccc(cc1OC)OC 62a_100000750026_100000766300 [0,2,0,0,0,0|2,0,0]=4 5152 B14R1.1355 COCSc1ccc(cc1OC)OC 62a_100000766300_100000750026 [0,2,0,0,0,0|2,0,0]=4 5153 B14R1.1355 COc1cc(ccc1COCF)C#N 34a_100000102359_100015361967 [0,2,0,0,0,0|1,0,1]=4 5154 B14R1.1355 COc1cc(ccc1COCF)C#N 7a_100000102359_100015361967 [0,2,0,0,0,0|1,0,1]=4 5155 B14R1.1355 COc1cc(ccc1OCC#N)C#N 7a_100000184589_100011215382 [0,2,0,0,0,0|1,0,1]=4 5156 B14R1.1355 COc1cc(ccc1OCC=O)C#N 34a_100000184589_200009817547 [0,2,0,0,0,0|1,0,1]=4 5157 B14R1.1355 COc1cc(ccc1OCC=O)C#N 7a_100000184589_200015260668 [0,2,0,0,0,0|1,0,1]=4 5158 B14R1.1355 COc1cc(ccc1OCC=O)CN 34a_100000185554_200009817547 [0,2,0,0,0,0|1,0,1]=4 5159 B14R1.1355 COc1cc(ccc1OCCF)C#N 34a_100000184589_100011217306 [0,2,0,0,0,0|1,0,1]=4 5160 B14R1.1355 COc1cc(ccc1OCCF)C#N 7a_100000184589_100011217306 [0,2,0,0,0,0|1,0,1]=4 5161 B14R1.1355 COc1cc(ccc1OCCF)CN 34a_100000185554_100011217306 [0,2,0,0,0,0|1,0,1]=4 5162 B14R1.1355 COc1cc(ccc1OCCO)C#N 34a_100000184589_100000211926 [0,2,0,0,0,0|1,0,1]=4 5163 B14R1.1355 COc1cc(ccc1OCCO)C#N 7a_100000184589_100000211926 [0,2,0,0,0,0|1,0,1]=4 5164 B14R1.1355 COc1cc(ccc1OCCO)CN 34a_100000185554_100000211926 [0,2,0,0,0,0|1,0,1]=4 5165 B14R1.1355 COc1cc(ccc1OCCO)SC 62a_100012347953_200000210301 [0,2,0,0,0,0|2,0,0]=4 5166 B14R1.1355 COc1cc(ccc1OCCO)SC 62a_200000210301_100012347953 [0,2,0,0,0,0|2,0,0]=4 5167 B14R1.1355 COc1cc(ccc1OCCO)S[13CH3] 62a_100012347953_200025704644 [0,2,0,0,0,0|2,0,0]=4 5168 B14R1.1355 COc1cc(ccc1OCCO)S[13CH3] 62a_200025704644_100012347953 [0,2,0,0,0,0|2,0,0]=4 5169 B14R1.1355 COc1cc(ccc1OCSC)C#N 34a_100000184589_100011218213 [0,2,0,0,0,0|1,0,1]=4 5170 B14R1.1355 COc1cc(ccc1OCSC)CN 34a_100000185554_100011218213 [0,2,0,0,0,0|1,0,1]=4 5171 B14R1.1355 COc1cc(ccc1SCC#N)C=O 62a_100010244714_100011215382 [0,2,0,0,0,0|0,1,0]=3 5172 B14R1.1355 COc1cc(ccc1SCC#N)C=O 62a_100011215382_100010244714 [0,2,0,0,0,0|0,1,0]=3 5173 B14R1.1355 COc1cc(ccc1SCC=O)C=O 62a_100010244714_200015260668 [0,2,0,0,0,0|0,1,0]=3 5174 B14R1.1355 COc1cc(ccc1SCC=O)C=O 62a_200015260668_100010244714 [0,2,0,0,0,0|0,1,0]=3 5175 B14R1.1355 COc1cc(ccc1SCCF)C=O 62a_100010244714_100011217306 [0,2,0,0,0,0|0,1,0]=3 5176 B14R1.1355 COc1cc(ccc1SCCF)C=O 62a_100011217306_100010244714 [0,2,0,0,0,0|0,1,0]=3 5177 B14R1.1355 COc1cc(ccc1SCCO)C=O 62a_100000211926_100010244714 [0,2,0,0,0,0|0,1,0]=3 5178 B14R1.1355 COc1cc(ccc1SCCO)C=O 62a_100010244714_100000211926 [0,2,0,0,0,0|0,1,0]=3 5179 B14R1.1355 COc1cc(ccc1SCSC)C=O 62a_100010244714_100011218213 [0,2,0,0,0,0|0,1,0]=3 5180 B14R1.1355 COc1cc(ccc1SCSC)C=O 62a_100011218213_100010244714 [0,2,0,0,0,0|0,1,0]=3 5181 B14R1.1355 COc1ccc(c(c1)OC)CCO[13CH3] 34a_100011754575_200025704644 [0,2,0,0,0,0|2,0,0]=4 5182 B14R1.1355 COc1ccc(c(c1)OC)CCO[13CH3] 7a_100011754575_200025704644 [0,2,0,0,0,0|2,0,0]=4 5183 B14R1.1355 COc1ccc(c(c1)OC)COCF 34a_100011218031_100015361967 [0,2,0,0,0,0|2,0,0]=4 5184 B14R1.1355 COc1ccc(c(c1)OC)COCF 7a_100011218031_100015361967 [0,2,0,0,0,0|2,0,0]=4 5185 B14R1.1355 COc1ccc(c(c1)OC)OCC=O 34a_100009840267_200009817547 [0,2,0,0,0,0|2,0,0]=4 5186 B14R1.1355 COc1ccc(c(c1)OC)OCCF 34a_100009840267_100011217306 [0,2,0,0,0,0|2,0,0]=4 5187 B14R1.1355 COc1ccc(c(c1)OC)OCCO 34a_100009840267_100000211926 [0,2,0,0,0,0|2,0,0]=4 5188 B14R1.1355 COc1ccc(c(c1)OC)OCSC 34a_100009840267_100011218213 [0,2,0,0,0,0|2,0,0]=4 5189 B14R1.5210 C=C=Cc1ccc(c(c1OC)F)C=O 271570a_100015277604_200010981996 [0,2,0,0,0,0|1,0,1]=4 5190 B14R1.5210 CC=Cc1ccc(c(c1OC)F)C=O 271570a_100016259895_200010981996 [0,2,0,0,0,0|1,0,0]=3 5191 B14R1.5210 CCSc1ccc(c(c1OC)F)C=O 62a_100000210202_200010981996 [0,2,0,0,0,0|0,1,0]=3 5192 B14R1.5210 CCSc1ccc(c(c1OC)F)C=O 62a_200010981996_100000210202 [0,2,0,0,0,0|0,1,0]=3 5193 B14R1.5210 COCc1ccc(c(c1OC)C)OC 34a_200000022523_200000210301 [0,2,0,0,0,0|2,0,0]=4 5194 B14R1.5210 COCc1ccc(c(c1OC)C)OC 7a_200000022523_200000210301 [0,2,0,0,0,0|2,0,0]=4 5195 B14R1.5210 COc1c(ccc(c1F)C=O)SCF 62a_100015361967_200010981996 [0,2,0,0,0,0|0,1,0]=3 5196 B14R1.5210 COc1c(ccc(c1F)C=O)SCF 62a_200010981996_100015361967 [0,2,0,0,0,0|0,1,0]=3 5197 B14R1.5210 COc1ccc(c(c1C)OC)CO[13CH3] 34a_200000022523_200025704644 [0,2,0,0,0,0|2,0,0]=4 5198 B14R1.5210 COc1ccc(c(c1C)OC)CO[13CH3] 7a_200000022523_200025704644 [0,2,0,0,0,0|2,0,0]=4 5199 B14R1.5237 C=C(C)c1cc(ccc1OCC)C=O 271570a_100000694244_100000173028 [0,2,0,0,0,0|1,0,0]=3 5200 B14R1.5237 C=Cc1ccc(c(c1)C(=O)C)OCC 271570a_100011290941_100000173016 [0,2,0,0,0,0|2,0,0]=4 5201 B14R1.6723 C=C(C)c1ccc(c(c1)CC)OCC 271570a_100000694244_200010070707 [0,2,0,0,0,0|2,0,0]=4 5202 B14R1.6723 C=C(C)c1ccc(c(c1)OC)OCC 271570a_100000694244_200012344064 [0,2,0,0,0,0|1,0,0]=3 5203 B14R1.6723 C=C(C)c1cnc(c(c1)OC)OCC 271570a_100000694244_200010116856 [0,2,0,0,0,0|2,0,0]=4 5204 B14R1.6723 C=C=Cc1ccc(cc1OC)C(=O)C 271570a_100015277604_100010110075 [0,2,0,0,0,0|1,0,1]=4 5205 B14R1.6723 C=C=Cc1ccc(cc1OC)C(=O)N 271570a_100015277604_100009817049 [0,2,0,0,0,0|1,0,1]=4 5206 B14R1.6723 CC(=O)c1ccc(c(c1)CCl)OCF 34a_100000010293_100015361967 [0,2,0,0,0,0|2,0,0]=4 5207 B14R1.6723 CC(=O)c1ccc(c(c1)CCl)OCF 7a_100000010293_100015361967 [0,2,0,0,0,0|2,0,0]=4 5208 B14R1.6723 CC(=O)c1ccc(c(c1)CO)OCF 7a_100000025453_100015361967 [0,2,0,0,0,0|2,0,0]=4 5209 B14R1.6723 CC=Cc1ccc(cc1OC)C(=O)C 271570a_100016259895_100010110075 [0,2,0,0,0,0|1,0,0]=3 5210 B14R1.6723 CC=Cc1ccc(cc1OC)C(=O)N 271570a_100016259895_100009817049 [0,2,0,0,0,0|1,0,0]=3 5211 B14R1.6723 CCNc1ccc(cc1OC)C(=O)N 27a_100015525214_100009817049 [0,2,0,0,0,0|1,0,0]=3 5212 B14R1.6723 CCNc1ccc(cc1OC)C(=O)N 34a_100011850419_100000210202 [0,2,0,0,0,0|1,0,0]=3 5213 B14R1.6723 CCNc1ccc(cc1OC)[N+](=O)[O-] 34a_100000211086_100000210202 [0,2,0,0,0,0|2,0,0]=4 5214 B14R1.6723 CCOc1ccc(cc1C#N)C(=O)C 1458a_100000092412_200000210301 [0,2,0,0,0,0|2,0,0]=4 5215 B14R1.6723 CCOc1ccc(cc1C#N)C(=O)[13CH3] 1458a_100000092412_200025704644 [0,2,0,0,0,0|2,0,0]=4 5216 B14R1.6723 CCOc1ccc(cc1CCl)C(=O)C 34a_100000010293_100000210202 [0,2,0,0,0,0|2,0,0]=4 5217 B14R1.6723 CCOc1ccc(cc1CCl)C(=O)C 7a_100000010293_100000210202 [0,2,0,0,0,0|2,0,0]=4 5218 B14R1.6723 CCOc1ccc(cc1CO)C(=O)C 7a_100000025453_100000210202 [0,2,0,0,0,0|2,0,0]=4 5219 B14R1.6723 CCOc1ccc(cc1NC)[N+](=O)[O-] 7a_100000725096_200000210301 [0,2,0,0,0,0|2,0,0]=4 5220 B14R1.6723 CCOc1ccc(cc1N[13CH3])[N+](=O)[O-] 7a_100000725096_200025704644 [0,2,0,0,0,0|2,0,0]=4 5221 B14R1.6723 CCOc1ccc(cc1OC)C(=O)C 1458a_100000184834_200000210301 [0,2,0,0,0,0|0,0,0]=2 5222 B14R1.6723 CCOc1ccc(cc1OC)C(=O)C 34a_100000186468_100000210202 [0,2,0,0,0,0|0,0,0]=2 5223 B14R1.6723 CCOc1ccc(cc1OC)C(=O)C 7a_100000186468_100000210202 [0,2,0,0,0,0|0,0,0]=2 5224 B14R1.6723 CCOc1ccc(cc1OC)C(=O)[13CH3] 1458a_100000184834_200025704644 [0,2,0,0,0,0|0,0,0]=2 5225 B14R1.6723 CCOc1ccc(cc1OC)C(C)O 34a_100000246512_100000210202 [0,2,0,0,0,0|0,0,2]=4 5226 B14R1.6723 CCOc1ccc(cc1OC)C(C)O 7a_100000246512_100000210202 [0,2,0,0,0,0|0,0,2]=4 5227 B14R1.6723 CCOc1ccc(cc1OC)[N+](=O)[O-] 34a_100000742293_100000210202 [0,2,0,0,0,0|1,0,0]=3 5228 B14R1.6723 CCOc1ccc(cc1OC)[N+](=O)[O-] 7a_100000742293_100000210202 [0,2,0,0,0,0|1,0,0]=3 5229 B14R1.6723 CCSc1ccc(cc1OC)C(=O)C 62a_100010110075_100000210202 [0,2,0,0,0,0|0,1,0]=3 5230 B14R1.6723 CCSc1ccc(cc1OC)C(=O)N 62a_100009817049_100000210202 [0,2,0,0,0,0|0,1,0]=3 5231 B14R1.6723 CCc1cc(ccc1COC)C(=O)C 7a_100009829543_200000210301 [0,2,0,0,0,0|1,0,0]=3 5232 B14R1.6723 CCc1cc(ccc1CO[13CH3])C(=O)C 7a_100009829543_200025704644 [0,2,0,0,0,0|1,0,0]=3 5233 B14R1.6723 CNCc1ccc(cc1OC)C(=O)C 26a_100102657272_100000186468 [0,2,0,0,0,0|1,0,0]=3 5234 B14R1.6723 CNCc1ccc(cc1OC)C(=O)[O-] 26a_100102657272_100015267463 [0,2,0,0,0,0|1,0,0]=3 5235 B14R1.6723 CNCc1ccc(cc1OC)[N+](=O)[O-] 207a_100102657272_100000067117 [0,2,0,0,0,0|2,0,0]=4 5236 B14R1.6723 CNCc1ccc(cc1OC)[N+](=O)[O-] 2230a_106832991635_100010150584 [0,2,0,0,0,0|2,0,0]=4 5237 B14R1.6723 CNCc1ccc(cc1OC)[N+](=O)[O-] 26a_100102657272_100000742293 [0,2,0,0,0,0|2,0,0]=4 5238 B14R1.6723 CNCc1ccc(cc1OC)[N+](=O)[O-] 270004a_106832991635_100000067117 [0,2,0,0,0,0|2,0,0]=4 5239 B14R1.6723 CNCc1ccc(cc1OC)[N+](=O)[O-] 34a_100102657272_100010150584 [0,2,0,0,0,0|2,0,0]=4 5240 B14R1.6723 CNCc1ccc(cc1OC)[N+](=O)[O-] 7a_106832991635_100010150584 [0,2,0,0,0,0|2,0,0]=4 5241 B14R1.6723 COCc1ccc(cc1OC)[N+](=O)[O-] 34a_100000087858_200000210301 [0,2,0,0,0,0|1,0,0]=3 5242 B14R1.6723 COCc1ccc(cc1OC)[N+](=O)[O-] 34a_100138415774_100010150584 [0,2,0,0,0,0|1,0,0]=3 5243 B14R1.6723 COc1cc(ccc1CO[13CH3])[N+](=O)[O-] 34a_100000087858_200025704644 [0,2,0,0,0,0|1,0,0]=3 5244 B14R1.6723 COc1cc(ccc1NCF)C(=O)N 34a_100011850419_100015361967 [0,2,0,0,0,0|1,0,0]=3 5245 B14R1.6723 COc1cc(ccc1NCF)[N+](=O)[O-] 34a_100000211086_100015361967 [0,2,0,0,0,0|2,0,0]=4 5246 B14R1.6723 COc1cc(ccc1OCF)C(=O)C 34a_100000186468_100015361967 [0,2,0,0,0,0|0,0,0]=2 5247 B14R1.6723 COc1cc(ccc1OCF)C(=O)C 7a_100000186468_100015361967 [0,2,0,0,0,0|0,0,0]=2 5248 B14R1.6723 COc1cc(ccc1OCF)C(C)O 34a_100000246512_100015361967 [0,2,0,0,0,0|0,0,2]=4 5249 B14R1.6723 COc1cc(ccc1OCF)C(C)O 7a_100000246512_100015361967 [0,2,0,0,0,0|0,0,2]=4 5250 B14R1.6723 COc1cc(ccc1OCF)[N+](=O)[O-] 34a_100000742293_100015361967 [0,2,0,0,0,0|1,0,0]=3 5251 B14R1.6723 COc1cc(ccc1OCF)[N+](=O)[O-] 7a_100000742293_100015361967 [0,2,0,0,0,0|1,0,0]=3 5252 B14R1.6723 COc1cc(ccc1SCF)C(=O)C 62a_100010110075_100015361967 [0,2,0,0,0,0|0,1,0]=3 5253 B14R1.6723 COc1cc(ccc1SCF)C(=O)N 62a_100009817049_100015361967 [0,2,0,0,0,0|0,1,0]=3 5254 B14R1.15070 C=C=Cc1cc(c(cc1OC)C=O)F 271570a_100015277604_100000695681 [0,2,0,0,0,0|1,0,1]=4 5255 B14R1.15070 C=C=Cc1cc(c(cc1OC)C=O)O 271570a_100015277604_100010762608 [0,2,0,0,0,0|1,0,1]=4 5256 B14R1.15070 CC=Cc1cc(c(cc1OC)C=O)F 271570a_100016259895_100000695681 [0,2,0,0,0,0|1,0,0]=3 5257 B14R1.15070 CC=Cc1cc(c(cc1OC)C=O)O 271570a_100016259895_100010762608 [0,2,0,0,0,0|1,0,0]=3 5258 B14R1.15070 CCOc1cc(c(cc1OC)C#N)O 271570a_203496583355_100009814619 [0,2,0,0,0,0|1,0,1]=4 5259 B14R1.15070 CCOc1cc(c(cc1OC)C=O)O 271570a_203496583355_100009812228 [0,2,0,0,0,0|0,0,0]=2 5260 B14R1.15070 CCOc1cc(c(cc1OC)CC)F 34a_100000070332_100000210202 [0,2,0,0,0,0|1,0,1]=4 5261 B14R1.15070 CCOc1cc(c(cc1OC)CC)F 7a_100000070332_100000210202 [0,2,0,0,0,0|1,0,1]=4 5262 B14R1.15070 CCSc1cc(c(cc1OC)C=O)F 62a_100000210202_100000695681 [0,2,0,0,0,0|0,1,0]=3 5263 B14R1.15070 CCSc1cc(c(cc1OC)C=O)F 62a_100000695681_100000210202 [0,2,0,0,0,0|0,1,0]=3 5264 B14R1.15070 CCSc1cc(c(cc1OC)C=O)O 62a_100000210202_100010762608 [0,2,0,0,0,0|0,1,0]=3 5265 B14R1.15070 CCSc1cc(c(cc1OC)C=O)O 62a_100010762608_100000210202 [0,2,0,0,0,0|0,1,0]=3 5266 B14R1.15070 CCc1cc(c(cc1F)OCF)OC 34a_100000070332_100015361967 [0,2,0,0,0,0|1,0,1]=4 5267 B14R1.15070 CCc1cc(c(cc1F)OCF)OC 7a_100000070332_100015361967 [0,2,0,0,0,0|1,0,1]=4 5268 B14R1.15070 COCc1cc(c(cc1OC)OC)Br 34a_200010164068_200000210301 [0,2,0,0,0,0|2,0,0]=4 5269 B14R1.15070 COCc1cc(c(cc1OC)OC)Br 7a_200010164068_200000210301 [0,2,0,0,0,0|2,0,0]=4 5270 B14R1.15070 COCc1cc(c(cc1OC)OC)C 34a_200000081110_200000210301 [0,2,0,0,0,0|2,0,0]=4 5271 B14R1.15070 COCc1cc(c(cc1OC)OC)C 7a_200000081110_200000210301 [0,2,0,0,0,0|2,0,0]=4 5272 B14R1.15070 COc1cc(c(cc1Br)CO[13CH3])OC 34a_200010164068_200025704644 [0,2,0,0,0,0|2,0,0]=4 5273 B14R1.15070 COc1cc(c(cc1Br)CO[13CH3])OC 7a_200010164068_200025704644 [0,2,0,0,0,0|2,0,0]=4 5274 B14R1.15070 COc1cc(c(cc1C)CO[13CH3])OC 34a_200000081110_200025704644 [0,2,0,0,0,0|2,0,0]=4 5275 B14R1.15070 COc1cc(c(cc1C)CO[13CH3])OC 7a_200000081110_200025704644 [0,2,0,0,0,0|2,0,0]=4 5276 B14R1.15070 COc1cc(c(cc1SCF)F)C=O 62a_100000695681_100015361967 [0,2,0,0,0,0|0,1,0]=3 5277 B14R1.15070 COc1cc(c(cc1SCF)F)C=O 62a_100015361967_100000695681 [0,2,0,0,0,0|0,1,0]=3 5278 B14R1.15070 COc1cc(c(cc1SCF)O)C=O 62a_100010762608_100015361967 [0,2,0,0,0,0|0,1,0]=3 5279 B14R1.15070 COc1cc(c(cc1SCF)O)C=O 62a_100015361967_100010762608 [0,2,0,0,0,0|0,1,0]=3 5280 B14R1.1851 C=C(C)c1cc(c(cc1F)OC)OC 271570a_100000694244_200011765842 [0,2,0,0,0,0|1,0,0]=3 5281 B14R1.1851 C=C(C)c1nc(c(cc1C)OC)OC 271570a_100000694244_200011016175 [0,2,0,0,0,0|2,0,0]=4 5282 B14R1.1851 C=Cc1cc(c(cc1OC)O)C(=O)C 271570a_100011290941_100009813116 [0,2,0,0,0,0|1,0,1]=4 5283 B14R1.1851 CNc1cc(c(cc1OC)F)[N+](=O)[O-] 7a_100015190410_200000210301 [0,2,0,0,0,0|2,0,0]=4 5284 B14R1.1851 COc1cc(c(cc1N[13CH3])[N+](=O)[O-])F 7a_100015190410_200025704644 [0,2,0,0,0,0|2,0,0]=4 5285 B14R1.1851 COc1cc(c(cc1OC)C(=O)C)Br 1458a_100011217046_200000210301 [0,2,0,0,0,0|0,0,0]=2 5286 B14R1.1851 COc1cc(c(cc1OC)C(=O)C)C 1458a_100000765401_200000210301 [0,2,0,0,0,0|0,0,0]=2 5287 B14R1.1851 COc1cc(c(cc1OC)C(=O)C)C 34a_100010659216_200000210301 [0,2,0,0,0,0|0,0,0]=2 5288 B14R1.1851 COc1cc(c(cc1OC)C(=O)C)C 7a_100010659216_200000210301 [0,2,0,0,0,0|0,0,0]=2 5289 B14R1.1851 COc1cc(c(cc1OC)C(=O)C)Cl 1458a_100000692841_200000210301 [0,2,0,0,0,0|0,0,0]=2 5290 B14R1.1851 COc1cc(c(cc1OC)C(=O)C)F 1458a_100000687845_200000210301 [0,2,0,0,0,0|0,0,0]=2 5291 B14R1.1851 COc1cc(c(cc1OC)C(=O)C)F 34a_100000070333_200000210301 [0,2,0,0,0,0|0,0,0]=2 5292 B14R1.1851 COc1cc(c(cc1OC)C(=O)C)F 7a_100000070333_200000210301 [0,2,0,0,0,0|0,0,0]=2 5293 B14R1.1851 COc1cc(c(cc1OC)C(=O)C)I 1458a_100000749224_200000210301 [0,2,0,0,0,0|0,0,0]=2 5294 B14R1.1851 COc1cc(c(cc1OC)C(=O)C)O 1458a_100012177203_200000210301 [0,2,0,0,0,0|0,0,0]=2 5295 B14R1.1851 COc1cc(c(cc1OC)C(=O)[13CH3])Br 1458a_100011217046_200025704644 [0,2,0,0,0,0|0,0,0]=2 5296 B14R1.1851 COc1cc(c(cc1OC)C(=O)[13CH3])C 1458a_100000765401_200025704644 [0,2,0,0,0,0|0,0,0]=2 5297 B14R1.1851 COc1cc(c(cc1OC)C(=O)[13CH3])Cl 1458a_100000692841_200025704644 [0,2,0,0,0,0|0,0,0]=2 5298 B14R1.1851 COc1cc(c(cc1OC)C(=O)[13CH3])F 1458a_100000687845_200025704644 [0,2,0,0,0,0|0,0,0]=2 5299 B14R1.1851 COc1cc(c(cc1OC)C(=O)[13CH3])I 1458a_100000749224_200025704644 [0,2,0,0,0,0|0,0,0]=2 5300 B14R1.1851 COc1cc(c(cc1OC)C(=O)[13CH3])O 1458a_100012177203_200025704644 [0,2,0,0,0,0|0,0,0]=2 5301 B14R1.1851 COc1cc(c(cc1O[13CH3])C(=O)C)C 34a_100010659216_200025704644 [0,2,0,0,0,0|0,0,0]=2 5302 B14R1.1851 COc1cc(c(cc1O[13CH3])C(=O)C)C 7a_100010659216_200025704644 [0,2,0,0,0,0|0,0,0]=2 5303 B14R1.1851 COc1cc(c(cc1O[13CH3])F)C(=O)C 34a_100000070333_200025704644 [0,2,0,0,0,0|0,0,0]=2 5304 B14R1.1851 COc1cc(c(cc1O[13CH3])F)C(=O)C 7a_100000070333_200025704644 [0,2,0,0,0,0|0,0,0]=2 5305 B14R1.2282 C=Cc1cc(c(cc1C#N)OC)OC 271570a_100011290941_100000188247 [0,2,0,0,0,0|1,0,0]=3 5306 B14R1.2282 C=Cc1cc(c(cc1C=O)OC)OC 271570a_100011290941_100000170863 [0,2,0,0,0,0|0,0,0]=2 5307 B14R1.2282 C=Cc1cc(c(cc1CO)OC)OC 271570a_100011290941_200000246283 [0,2,0,0,0,0|1,0,0]=3 5308 B14R1.2282 C=Cc1cc(c(cc1OC)C=O)OC 271570a_100011290941_100000188581 [0,2,0,0,0,0|1,0,1]=4 5309 B14R1.2282 C=Cc1cc(c(cc1OC)OC)C=O 271570a_100011290941_200009812229 [0,2,0,0,0,0|1,0,1]=4 5310 B14R1.2282 C=Cc1cc(c(cc1OC)OC)OC 271570a_100011290941_100000050122 [0,2,0,0,0,0|1,0,0]=3 5311 B14R1.2282 COc1cc(c(cc1C=O)OC)SC 62a_100000188581_200000210301 [0,2,0,0,0,0|0,1,0]=3 5312 B14R1.2282 COc1cc(c(cc1C=O)OC)S[13CH3] 62a_100000188581_200025704644 [0,2,0,0,0,0|0,1,0]=3 5313 B14R1.2282 COc1cc(c(cc1C=O)SC)OC 62a_200009812229_200000210301 [0,2,0,0,0,0|0,1,0]=3 5314 B14R1.2282 COc1cc(c(cc1C=O)S[13CH3])OC 62a_200009812229_200025704644 [0,2,0,0,0,0|0,1,0]=3 5315 B14R1.2282 COc1cc(c(cc1OC)SC)C#N 62a_200000210301_100000188247 [0,2,0,0,0,0|1,0,1]=4 5316 B14R1.2282 COc1cc(c(cc1OC)SC)C=O 62a_100000170863_200000210301 [0,2,0,0,0,0|0,0,0]=2 5317 B14R1.2282 COc1cc(c(cc1OC)SC)CO 62a_200000246283_200000210301 [0,2,0,0,0,0|0,0,2]=4 5318 B14R1.2282 COc1cc(c(cc1OC)S[13CH3])C#N 62a_200025704644_100000188247 [0,2,0,0,0,0|1,0,1]=4 5319 B14R1.2282 COc1cc(c(cc1OC)S[13CH3])C=O 62a_100000170863_200025704644 [0,2,0,0,0,0|0,0,0]=2 5320 B14R1.2282 COc1cc(c(cc1OC)S[13CH3])CO 62a_200000246283_200025704644 [0,2,0,0,0,0|0,0,2]=4 5321 B14R1.2288 C=C(C)c1cc(c(cc1OC)F)C=O 271570a_100000694244_100010244998 [0,2,0,0,0,0|1,0,0]=3 5322 B14R1.2288 C=C(C)c1cc(c(cc1OC)O)C=O 271570a_100000694244_100009998278 [0,2,0,0,0,0|1,0,0]=3 5323 B14R1.2288 COc1cc(c(cc1C(C)C)N=O)C 34a_100000073507_200000210301 [0,2,0,0,0,0|2,0,0]=4 5324 B14R1.2288 COc1cc(c(cc1C(C)C)N=O)C 7a_100000073507_200000210301 [0,2,0,0,0,0|2,0,0]=4 5325 B14R1.2288 Cc1cc(c(cc1N=O)C(C)C)O[13CH3] 34a_100000073507_200025704644 [0,2,0,0,0,0|2,0,0]=4 5326 B14R1.2288 Cc1cc(c(cc1N=O)C(C)C)O[13CH3] 7a_100000073507_200025704644 [0,2,0,0,0,0|2,0,0]=4 5327 B14R1.2023 C=C(C)c1ccc(c(c1C)OC)OC 271570a_100000694244_100010000156 [0,2,0,0,0,0|1,0,0]=3 5328 B14R1.2023 C=Cc1c(ccc(c1N)C(=O)C)OC 271570a_100011290941_100010236346 [0,2,0,0,0,0|1,0,1]=4 5329 B14R1.2023 COc1ccc(c(c1C#N)F)C(=O)C 1458a_200009924707_200000210301 [0,2,0,0,0,0|2,0,0]=4 5330 B14R1.2023 COc1ccc(c(c1C#N)F)C(=O)[13CH3] 1458a_200009924707_200025704644 [0,2,0,0,0,0|2,0,0]=4 5331 B14R1.2023 COc1ccc(c(c1OC)Br)C(=O)C 1458a_100010284110_200000210301 [0,2,0,0,0,0|0,0,0]=2 5332 B14R1.2023 COc1ccc(c(c1OC)Br)C(=O)[13CH3] 1458a_100010284110_200025704644 [0,2,0,0,0,0|0,0,0]=2 5333 B14R1.2023 COc1ccc(c(c1OC)C)C(=O)C 1458a_100000092638_200000210301 [0,2,0,0,0,0|0,0,0]=2 5334 B14R1.2023 COc1ccc(c(c1OC)C)C(=O)[13CH3] 1458a_100000092638_200025704644 [0,2,0,0,0,0|0,0,0]=2 5335 B14R1.2023 COc1ccc(c(c1OC)Cl)C(=O)C 1458a_100011216413_200000210301 [0,2,0,0,0,0|0,0,0]=2 5336 B14R1.2023 COc1ccc(c(c1OC)Cl)C(=O)[13CH3] 1458a_100011216413_200025704644 [0,2,0,0,0,0|0,0,0]=2 5337 B14R1.2023 COc1ccc(c(c1SC)N)C(=O)C 62a_100010236346_200000210301 [0,2,0,0,0,0|0,1,0]=3 5338 B14R1.2023 COc1ccc(c(c1S[13CH3])N)C(=O)C 62a_100010236346_200025704644 [0,2,0,0,0,0|0,1,0]=3 5339 B14R1.2310 C=Cc1c(ccc(c1OC)OC)C=O 271570a_100011290941_100009814707 [0,2,0,0,0,0|0,0,0]=2 5340 B14R1.2310 C=Cc1ccc(c(c1OC)OC)OC 271570a_100011290941_100011320274 [0,2,0,0,0,0|1,0,0]=3 5341 B14R1.2310 CNc1ccc(c(c1OC)OC)OC 34a_100000751027_200000210301 [0,2,0,0,0,0|2,0,0]=4 5342 B14R1.2310 COc1ccc(c(c1OC)OC)N[13CH3] 34a_100000751027_200025704644 [0,2,0,0,0,0|2,0,0]=4 5343 B14R1.2310 COc1ccc(c(c1OC)OC)OC 34a_100000074623_200000210301 [0,2,0,0,0,0|2,0,0]=4 5344 B14R1.2310 COc1ccc(c(c1OC)OC)O[13CH3] 34a_100000074623_200025704644 [0,2,0,0,0,0|2,0,0]=4 5345 B14R1.2310 COc1ccc(c(c1OC)SC)C=O 62a_100009814707_200000210301 [0,2,0,0,0,0|0,0,0]=2 5346 B14R1.2310 COc1ccc(c(c1OC)S[13CH3])C=O 62a_100009814707_200025704644 [0,2,0,0,0,0|0,0,0]=2 5347 B14R1.31 C=C(C)c1cc(ccc1OC)C(=O)C 271570a_100000694244_100000185153 [0,2,0,0,0,0|1,0,0]=3 5348 B14R1.31 C=C(C)c1ccc(c(c1)C(=O)C)OC 271570a_100000694244_100000173343 [0,2,0,0,0,0|2,0,0]=4 5349 B14R1.31 CC(=O)c1cc(ccc1O[13CH3])[N+](=O)[O-] 7a_100000763126_200025704644 [0,2,0,0,0,0|2,0,0]=4 5350 B14R1.31 CC(=O)c1ccc(c(c1)C(=O)N)O[13CH3] 7a_100000038153_200025704644 [0,2,0,0,0,0|2,0,0]=4 5351 B14R1.31 CC(=O)c1ccc(c(c1)[N+](=O)[O-])O[13CH3] 7a_100000691875_200025704644 [0,2,0,0,0,0|2,0,0]=4 5352 B14R1.31 CC(C)c1cc(ccc1O[13CH3])[N+](=O)[O-] 34a_100012000118_200025704644 [0,2,0,0,0,0|2,0,0]=4 5353 B14R1.31 CC(C)c1cc(ccc1O[13CH3])[N+](=O)[O-] 7a_100012000118_200025704644 [0,2,0,0,0,0|2,0,0]=4 5354 B14R1.31 COc1ccc(cc1C(=O)C)[N+](=O)[O-] 1458a_100000180858_200000210301 [0,2,0,0,0,0|2,0,0]=4 5355 B14R1.31 COc1ccc(cc1C(=O)C)[N+](=O)[O-] 7a_100000763126_200000210301 [0,2,0,0,0,0|2,0,0]=4 5356 B14R1.31 COc1ccc(cc1C(=O)N)C(=O)C 7a_100000038153_200000210301 [0,2,0,0,0,0|2,0,0]=4 5357 B14R1.31 COc1ccc(cc1C(=O)[13CH3])[N+](=O)[O-] 1458a_100000180858_200025704644 [0,2,0,0,0,0|2,0,0]=4 5358 B14R1.31 COc1ccc(cc1C(C)C)[N+](=O)[O-] 34a_100012000118_200000210301 [0,2,0,0,0,0|2,0,0]=4 5359 B14R1.31 COc1ccc(cc1C(C)C)[N+](=O)[O-] 7a_100012000118_200000210301 [0,2,0,0,0,0|2,0,0]=4 5360 B14R1.31 COc1ccc(cc1[N+](=O)[O-])C(=O)C 1458a_100000190897_200000210301 [0,2,0,0,0,0|2,0,0]=4 5361 B14R1.31 COc1ccc(cc1[N+](=O)[O-])C(=O)C 7a_100000691875_200000210301 [0,2,0,0,0,0|2,0,0]=4 5362 B14R1.31 COc1ccc(cc1[N+](=O)[O-])C(=O)[13CH3] 1458a_100000190897_200025704644 [0,2,0,0,0,0|2,0,0]=4 5363 B14R1.3654 CNc1cc(ccc1OC)S(=O)(=O)C 34a_100011298280_200000210301 [0,2,0,0,0,0|2,0,0]=4 5364 B14R1.3654 CNc1cc(ccc1OC)S(=O)(=O)C 7a_100011298280_200000210301 [0,2,0,0,0,0|2,0,0]=4 5365 B14R1.3654 CNc1ccc(cc1OC)S(=O)(=O)C 34a_100011900471_200000210301 [0,2,0,0,0,0|2,0,0]=4 5366 B14R1.3654 COc1cc(ccc1N[13CH3])S(=O)(=O)C 34a_100011900471_200025704644 [0,2,0,0,0,0|2,0,0]=4 5367 B14R1.3654 COc1cc(ccc1O[13CH3])C(F)(F)F 34a_100009844303_200025704644 [0,2,0,0,0,0|1,0,1]=4 5368 B14R1.3654 COc1cc(ccc1O[13CH3])C(F)(F)F 7a_100009844303_200025704644 [0,2,0,0,0,0|1,0,1]=4 5369 B14R1.3654 COc1ccc(cc1N[13CH3])S(=O)(=O)C 34a_100011298280_200025704644 [0,2,0,0,0,0|2,0,0]=4 5370 B14R1.3654 COc1ccc(cc1N[13CH3])S(=O)(=O)C 7a_100011298280_200025704644 [0,2,0,0,0,0|2,0,0]=4 5371 B14R1.3654 COc1ccc(cc1OC)C(F)(F)F 34a_100009844303_200000210301 [0,2,0,0,0,0|1,0,1]=4 5372 B14R1.3654 COc1ccc(cc1OC)C(F)(F)F 34a_200000094056_200000210301 [0,2,0,0,0,0|1,0,1]=4 5373 B14R1.3654 COc1ccc(cc1OC)C(F)(F)F 7a_100009844303_200000210301 [0,2,0,0,0,0|1,0,1]=4 5374 B14R1.3654 COc1ccc(cc1OC)C(F)(F)F 7a_200000094056_200000210301 [0,2,0,0,0,0|1,0,1]=4 5375 B14R1.3654 COc1ccc(cc1O[13CH3])C(F)(F)F 34a_200000094056_200025704644 [0,2,0,0,0,0|1,0,1]=4 5376 B14R1.3654 COc1ccc(cc1O[13CH3])C(F)(F)F 7a_200000094056_200025704644 [0,2,0,0,0,0|1,0,1]=4 5377 B12R1.71 COC=Cc1ccc(cc1)SC 62a_100020630460_200000210301 [0,0,1,1,0,0|1,1,0]=4 5378 B12R1.71 COC=Cc1ccc(cc1)SC 62a_200000210301_100020630460 [0,0,1,1,0,0|1,1,0]=4 5379 B12R1.71 COC=Cc1ccc(cc1)S[13CH3] 62a_100020630460_200025704644 [0,0,1,1,0,0|1,1,0]=4 5380 B12R1.71 COC=Cc1ccc(cc1)S[13CH3] 62a_200025704644_100020630460 [0,0,1,1,0,0|1,1,0]=4 5381 B12R2.24 Oc1ccc2c(c1)CCCO2 271570a_203496583355_100011393166 [1,0,0,1,0,0|1,0,1]=4 5382 B12R2.24 Oc1ccc2c(c1)NCCO2 271570a_203496583355_100000708519 [1,0,0,1,0,0|1,0,1]=4 5383 B12R2.24 Oc1ccc2c(c1)OCCC2 271570a_203496583355_100010700467 [1,0,0,1,0,0|1,0,1]=4 5384 B12R2.24 Oc1ccc2c(c1)OCCN2 271570a_203496583355_100012355470 [1,0,0,1,0,0|1,0,1]=4 5385 B12R2.24 Oc1ccc2c(c1)OCCO2 271570a_203496583355_100000184379 [1,0,0,1,0,0|0,0,1]=3 5386 B12R2.44 C=Cc1cc2c(cn1)OCC2 271570a_100011290941_102495363667 [1,0,0,1,0,0|2,0,0]=4 5387 B12R2.44 C=Cc1ccc2c(c1)CCC2 271570a_100011290941_100000745594 [1,0,0,1,0,0|2,0,0]=4 5388 B12R2.44 C=Cc1ccc2c(c1)CCN2 271570a_100011290941_100000026929 [1,0,0,1,0,0|2,0,0]=4 5389 B12R2.44 C=Cc1ccc2c(c1)CCO2 271570a_100011290941_100000729065 [1,0,0,1,0,0|1,0,0]=3 5390 B12R2.44 C=Cc1ccc2c(c1)OCC2 271570a_100011290941_100009818566 [1,0,0,1,0,0|2,0,0]=4 5391 B12R2.44 C=Cc1ccc2c(c1)OCO2 271570a_100011290941_100000688060 [1,0,0,1,0,0|1,0,0]=3 5392 B12R2.44 CNc1ccc2c(c1)CCO2 2230a_100000736984_200000210301 [1,0,0,1,0,0|2,0,0]=4 5393 B12R2.44 CNc1ccc2c(c1)CCO2 34a_100000736984_200000210301 [1,0,0,1,0,0|2,0,0]=4 5394 B12R2.44 CNc1ccc2c(c1)OCO2 2230a_100000209953_200000210301 [1,0,0,1,0,0|2,0,0]=4 5395 B12R2.44 CNc1ccc2c(c1)OCO2 34a_100000209953_200000210301 [1,0,0,1,0,0|2,0,0]=4 5396 B12R2.44 COc1ccc2c(c1)OCO2 34a_100000210298_200000210301 [1,0,0,1,0,0|2,0,0]=4 5397 B12R2.44 CSc1ccc2c(c1)CCO2 62a_100000729065_200000210301 [1,0,0,1,0,0|2,0,0]=4 5398 B12R2.44 CSc1ccc2c(c1)CCO2 62a_200000210301_100000729065 [1,0,0,1,0,0|2,0,0]=4 5399 B12R2.44 [13CH3]Nc1ccc2c(c1)CCO2 2230a_100000736984_200025704644 [1,0,0,1,0,0|2,0,0]=4 5400 B12R2.44 [13CH3]Nc1ccc2c(c1)CCO2 34a_100000736984_200025704644 [1,0,0,1,0,0|2,0,0]=4 5401 B12R2.44 [13CH3]Nc1ccc2c(c1)OCO2 2230a_100000209953_200025704644 [1,0,0,1,0,0|2,0,0]=4 5402 B12R2.44 [13CH3]Nc1ccc2c(c1)OCO2 34a_100000209953_200025704644 [1,0,0,1,0,0|2,0,0]=4 5403 B12R2.44 [13CH3]Oc1ccc2c(c1)OCO2 34a_100000210298_200025704644 [1,0,0,1,0,0|2,0,0]=4 5404 B12R2.44 [13CH3]Sc1ccc2c(c1)CCO2 62a_100000729065_200025704644 [1,0,0,1,0,0|2,0,0]=4 5405 B12R2.44 [13CH3]Sc1ccc2c(c1)CCO2 62a_200025704644_100000729065 [1,0,0,1,0,0|2,0,0]=4 5406 B14R2.1801 C=Cc1ccc2c(c1)OCCC2=O 271570a_100011290941_100000696939 [0,1,0,1,0,0|2,0,0]=4 5407 B14R2.1801 C=Cc1ccc2c(c1)OCCC2O 271570a_100011290941_100012676011 [0,1,0,1,0,0|2,0,0]=4 5408 B14R2.1801 C=Cc1ccc2c(c1)OCCN2C 271570a_100011290941_100009812848 [0,1,0,1,0,0|2,0,0]=4 5409 B14R2.1801 C=Cc1ccc2c(c1)OCC[C@H]2N 271570a_100011290941_100020639266 [0,1,0,1,0,0|2,0,0]=4 5410 B14R2.2505 COc1cc(ccc1C2CC2)C=O 271570a_100011220607_100010244714 [0,1,0,1,0,0|1,0,0]=3 5411 B14R2.134 C=Cc1ccc2c(c1)OC(CN2)C 271570a_100011290941_200010108538 [0,1,0,1,0,0|2,0,0]=4 5412 B14R2.2400 C=Cc1ccc2c(c1)OCCCO2 271570a_100011290941_100000739260 [0,1,0,1,0,0|1,0,0]=3 5413 B14R2.2400 CNc1ccc2c(c1)OCCCO2 2230a_100000181267_200000210301 [0,1,0,1,0,0|2,0,0]=4 5414 B14R2.2400 CNc1ccc2c(c1)OCCCO2 34a_100000181267_200000210301 [0,1,0,1,0,0|2,0,0]=4 5415 B14R2.2400 CSc1ccc2c(c1)OCCCO2 62a_100000739260_200000210301 [0,1,0,1,0,0|2,0,0]=4 5416 B14R2.2400 CSc1ccc2c(c1)OCCCO2 62a_200000210301_100000739260 [0,1,0,1,0,0|2,0,0]=4 5417 B14R2.2400 [13CH3]Nc1ccc2c(c1)OCCCO2 2230a_100000181267_200025704644 [0,1,0,1,0,0|2,0,0]=4 5418 B14R2.2400 [13CH3]Nc1ccc2c(c1)OCCCO2 34a_100000181267_200025704644 [0,1,0,1,0,0|2,0,0]=4 5419 B14R2.2400 [13CH3]Sc1ccc2c(c1)OCCCO2 62a_100000739260_200025704644 [0,1,0,1,0,0|2,0,0]=4 5420 B14R2.2400 [13CH3]Sc1ccc2c(c1)OCCCO2 62a_200025704644_100000739260 [0,1,0,1,0,0|2,0,0]=4 5421 B14R2.3519 CNc1ccc(cc1C2CC2)C=O 271570a_100011220607_200010290468 [0,1,0,1,0,0|2,0,0]=4 5422 B14R2.3519 COc1ccc(cc1C2CC2)C=O 271570a_100011220607_100000173361 [0,1,0,1,0,0|1,0,0]=3 5423 B14R2.3519 COc1ccc(nc1C2CC2)C=O 271570a_100011220607_100010174741 [0,1,0,1,0,0|2,0,0]=4 5424 B14R2.3519 COc1cnc(cc1C2CC2)C=O 271570a_100011220607_100010893078 [0,1,0,1,0,0|2,0,0]=4 5425 B14R2.3519 COc1ncc(cc1C2CC2)C=O 271570a_100011220607_200010064893 [0,1,0,1,0,0|2,0,0]=4 5426 B14R2.82 COc1cc2[nH]ccc2cc1SC 62a_200000210301_100010245498 [0,1,0,1,0,0|1,1,0]=4 5427 B14R2.82 COc1cc2[nH]ccc2cc1S[13CH3] 62a_200025704644_100010245498 [0,1,0,1,0,0|1,1,0]=4 5428 B14R2.82 COc1cc2[nH]cnc2cc1SC 62a_200000210301_100010062394 [0,1,0,1,0,0|1,1,0]=4 5429 B14R2.82 COc1cc2[nH]cnc2cc1S[13CH3] 62a_200025704644_100010062394 [0,1,0,1,0,0|1,1,0]=4 5430 B14R2.82 COc1cc2cc[nH]c2cc1SC 62a_200000210301_100010245486 [0,1,0,1,0,0|1,1,0]=4 5431 B14R2.82 COc1cc2cc[nH]c2cc1S[13CH3] 62a_200025704644_100010245486 [0,1,0,1,0,0|1,1,0]=4 5432 B14R2.82 COc1cc2cn[nH]c2cc1SC 62a_200000210301_100010074698 [0,1,0,1,0,0|1,1,0]=4 5433 B14R2.82 COc1cc2cn[nH]c2cc1S[13CH3] 62a_200025704644_100010074698 [0,1,0,1,0,0|1,1,0]=4 5434 B14R2.82 COc1cc2n[nH]cc2cc1SC 62a_200000210301_100020876381 [0,1,0,1,0,0|1,1,0]=4 5435 B14R2.82 COc1cc2n[nH]cc2cc1S[13CH3] 62a_200025704644_100020876381 [0,1,0,1,0,0|1,1,0]=4 5436 B14R2.112 C=C=Cc1ccc2c(c1)CCCO2 271570a_100015277604_100011393166 [0,1,0,1,0,0|2,0,0]=4 5437 B14R2.112 C=C=Cc1ccc2c(c1)NCCO2 271570a_100015277604_100000708519 [0,1,0,1,0,0|2,0,0]=4 5438 B14R2.112 C=C=Cc1ccc2c(c1)OCCC2 271570a_100015277604_100010700467 [0,1,0,1,0,0|2,0,0]=4 5439 B14R2.112 C=C=Cc1ccc2c(c1)OCCN2 271570a_100015277604_100012355470 [0,1,0,1,0,0|2,0,0]=4 5440 B14R2.112 C=C=Cc1ccc2c(c1)OCCO2 271570a_100015277604_100000184379 [0,1,0,1,0,0|1,0,0]=3 5441 B14R2.112 CC=Cc1ccc2c(c1)CCCO2 271570a_100016259895_100011393166 [0,1,0,1,0,0|2,0,0]=4 5442 B14R2.112 CC=Cc1ccc2c(c1)NCCO2 271570a_100016259895_100000708519 [0,1,0,1,0,0|2,0,0]=4 5443 B14R2.112 CC=Cc1ccc2c(c1)OCCC2 271570a_100016259895_100010700467 [0,1,0,1,0,0|2,0,0]=4 5444 B14R2.112 CC=Cc1ccc2c(c1)OCCN2 271570a_100016259895_100012355470 [0,1,0,1,0,0|2,0,0]=4 5445 B14R2.112 CC=Cc1ccc2c(c1)OCCO2 271570a_100016259895_100000184379 [0,1,0,1,0,0|1,0,0]=3 5446 B14R2.112 CCNc1ccc2c(c1)OCCO2 2230a_100020630400_100000210202 [0,1,0,1,0,0|1,0,1]=4 5447 B14R2.112 CCNc1ccc2c(c1)OCCO2 34a_100020630400_100000210202 [0,1,0,1,0,0|1,0,1]=4 5448 B14R2.112 CCOc1ccc2c(c1)OCCO2 34a_100000234341_100000210202 [0,1,0,1,0,0|1,0,1]=4 5449 B14R2.112 CCSc1ccc2c(c1)OCCO2 62a_100000210202_100011216881 [0,1,0,1,0,0|1,0,1]=4 5450 B14R2.112 CCSc1ccc2c(c1)OCCO2 62a_100011216881_100000210202 [0,1,0,1,0,0|1,0,1]=4 5451 B14R2.112 CNCc1ccc2c(c1)OCCO2 207a_100102657272_100000184955 [0,1,0,1,0,0|1,0,1]=4 5452 B14R2.112 CNCc1ccc2c(c1)OCCO2 2230a_100000684186_200000210301 [0,1,0,1,0,0|1,0,1]=4 5453 B14R2.112 CNCc1ccc2c(c1)OCCO2 270004a_106832991635_100000184955 [0,1,0,1,0,0|1,0,1]=4 5454 B14R2.112 CNCc1ccc2c(c1)OCCO2 34a_100000684186_200000210301 [0,1,0,1,0,0|1,0,1]=4 5455 B14R2.112 COCc1ccc2c(c1)OCCO2 34a_100000745213_200000210301 [0,1,0,1,0,0|0,0,2]=4 5456 B14R2.112 FCNc1ccc2c(c1)OCCO2 34a_100020630400_100015361967 [0,1,0,1,0,0|1,0,1]=4 5457 B14R2.112 FCOc1ccc2c(c1)OCCO2 34a_100000234341_100015361967 [0,1,0,1,0,0|1,0,1]=4 5458 B14R2.112 FCSc1ccc2c(c1)OCCO2 62a_100011216881_100015361967 [0,1,0,1,0,0|1,0,1]=4 5459 B14R2.112 FCSc1ccc2c(c1)OCCO2 62a_100015361967_100011216881 [0,1,0,1,0,0|1,0,1]=4 5460 B14R2.112 [13CH3]NCc1ccc2c(c1)OCCO2 2230a_100000684186_200025704644 [0,1,0,1,0,0|1,0,1]=4 5461 B14R2.112 [13CH3]NCc1ccc2c(c1)OCCO2 34a_100000684186_200025704644 [0,1,0,1,0,0|1,0,1]=4 5462 B14R2.112 [13CH3]OCc1ccc2c(c1)OCCO2 34a_100000745213_200025704644 [0,1,0,1,0,0|0,0,2]=4 5463 B14R2.1238 COc1ccc2[nH]ccc2c1SC 62a_200000210301_100010169049 [0,1,0,1,0,0|1,1,0]=4 5464 B14R2.1238 COc1ccc2[nH]ccc2c1S[13CH3] 62a_200025704644_100010169049 [0,1,0,1,0,0|1,1,0]=4 5465 B14R2.3062 COc1ccc(cc1OC)C2CC2 271570a_100011220607_100000187503 [0,1,0,1,0,0|1,0,1]=4 5466 B14R2.1101 C=Cc1cc(cc2c1OCC2)C=O 271570a_100011290941_100009816904 [0,1,0,1,0,0|1,0,1]=4 5467 B14R2.1101 C=Cc1cc(cc2c1OCO2)C=O 271570a_100011290941_100000682445 [0,1,0,1,0,0|1,0,1]=4 5468 B14R2.1101 CSc1cc(cc2c1OCC2)C=O 62a_100009816904_200000210301 [0,1,0,1,0,0|0,1,0]=3 5469 B14R2.1101 CSc1cc(cc2c1OCC2)C=O 62a_200000210301_100009816904 [0,1,0,1,0,0|0,1,0]=3 5470 B14R2.1101 CSc1cc(cc2c1OCO2)C=O 62a_100000682445_200000210301 [0,1,0,1,0,0|0,1,0]=3 5471 B14R2.1101 [13CH3]Sc1cc(cc2c1OCC2)C=O 62a_100009816904_200025704644 [0,1,0,1,0,0|0,1,0]=3 5472 B14R2.1101 [13CH3]Sc1cc(cc2c1OCC2)C=O 62a_200025704644_100009816904 [0,1,0,1,0,0|0,1,0]=3 5473 B14R2.1101 [13CH3]Sc1cc(cc2c1OCO2)C=O 62a_100000682445_200025704644 [0,1,0,1,0,0|0,1,0]=3 5474 B14R2.142 C=Cc1ccc2c(c1)C(=O)CCO2 271570a_100011290941_100000243215 [0,1,0,1,0,0|2,0,0]=4 5475 B14R2.142 C=Cc1ccc2c(c1)C(CCO2)O 271570a_100011290941_100000760992 [0,1,0,1,0,0|2,0,0]=4 5476 B14R2.142 C=Cc1ccc2c(c1)[C@H](CCO2)N 271570a_100011290941_100020639276 [0,1,0,1,0,0|2,0,0]=4 5477 B14R2.1128 C=Cc1cc2c(cc1F)OCCN2 271570a_100011290941_100012568745 [0,1,0,1,0,0|2,0,0]=4 5478 B14R2.1128 CNc1cc2c(cc1Cl)OCCO2 34a_100000739234_200000210301 [0,1,0,1,0,0|2,0,0]=4 5479 B14R2.1128 [13CH3]Nc1cc2c(cc1Cl)OCCO2 34a_100000739234_200025704644 [0,1,0,1,0,0|2,0,0]=4 5480 B14R2.92 C=Cc1ccc2c(c1C)NCCO2 271570a_100011290941_100010271709 [0,1,0,1,0,0|2,0,0]=4 5481 B14R2.92 C=Cc1ccc2c(c1C)OCCO2 271570a_100011290941_100010072848 [0,1,0,1,0,0|1,0,0]=3 5482 B14R2.92 CSc1ccc2c(c1C)OCCO2 62a_100010072848_200000210301 [0,1,0,1,0,0|2,0,0]=4 5483 B14R2.92 CSc1ccc2c(c1C)OCCO2 62a_200000210301_100010072848 [0,1,0,1,0,0|2,0,0]=4 5484 B14R2.92 Cc1c(ccc2c1OCCO2)S[13CH3] 62a_100010072848_200025704644 [0,1,0,1,0,0|2,0,0]=4 5485 B14R2.92 Cc1c(ccc2c1OCCO2)S[13CH3] 62a_200025704644_100010072848 [0,1,0,1,0,0|2,0,0]=4 5486 B14R2.781 C=C(C)c1ccc2c(c1)CCCO2 271570a_100000694244_100011393166 [0,1,0,1,0,0|2,0,0]=4 5487 B14R2.781 C=C(C)c1ccc2c(c1)NCCO2 271570a_100000694244_100000708519 [0,1,0,1,0,0|2,0,0]=4 5488 B14R2.781 C=C(C)c1ccc2c(c1)OCCC2 271570a_100000694244_100010700467 [0,1,0,1,0,0|2,0,0]=4 5489 B14R2.781 C=C(C)c1ccc2c(c1)OCCN2 271570a_100000694244_100012355470 [0,1,0,1,0,0|2,0,0]=4 5490 B14R2.781 C=C(C)c1ccc2c(c1)OCCO2 271570a_100000694244_100000184379 [0,1,0,1,0,0|1,0,0]=3 5491 B14R2.781 CC(=O)c1ccc2c(c1)CCCC2 1458a_100000199106_200000210301 [0,1,0,1,0,0|2,0,0]=4 5492 B14R2.781 CC(=O)c1ccc2c(c1)CCCO2 1458a_100011398765_200000210301 [0,1,0,1,0,0|1,0,0]=3 5493 B14R2.781 CC(=O)c1ccc2c(c1)OCCO2 1458a_100000182659_200000210301 [0,1,0,1,0,0|0,0,0]=2 5494 B14R2.781 [13CH3]C(=O)c1ccc2c(c1)CCCC2 1458a_100000199106_200025704644 [0,1,0,1,0,0|2,0,0]=4 5495 B14R2.781 [13CH3]C(=O)c1ccc2c(c1)CCCO2 1458a_100011398765_200025704644 [0,1,0,1,0,0|1,0,0]=3 5496 B14R2.781 [13CH3]C(=O)c1ccc2c(c1)OCCO2 1458a_100000182659_200025704644 [0,1,0,1,0,0|0,0,0]=2 5497 B14R2.5719 CC(=O)c1ccc2c(c1)CCN2C 1458a_100000708782_200000210301 [0,1,0,1,0,0|2,0,0]=4 5498 B14R2.5719 CN1CCc2c1ccc(c2)C(=O)[13CH3] 1458a_100000708782_200025704644 [0,1,0,1,0,0|2,0,0]=4 5499 B14R2.24358 CC(=O)c1ccc2onc(c2c1)C 1458a_200010977551_200000210301 [0,1,0,1,0,0|2,0,0]=4 5500 B14R2.24358 Cc1noc2c1cc(cc2)C(=O)[13CH3] 1458a_200010977551_200025704644 [0,1,0,1,0,0|2,0,0]=4 5501 B10R1.35 CSc1cc(sc1C)C=O 62a_100000708457_200000210301 [1,0,0,0,1,0|1,1,0]=4 5502 B10R1.35 CSc1cc(sc1C)C=O 62a_200000210301_100000708457 [1,0,0,0,1,0|1,1,0]=4 5503 B10R1.35 CSc1sc(cc1C)C=O 62a_100000761930_200000210301 [1,0,0,0,1,0|1,1,0]=4 5504 B10R1.35 CSc1sc(cc1C)C=O 62a_200000210301_100000761930 [1,0,0,0,1,0|1,1,0]=4 5505 B10R1.35 Cc1cc(sc1S[13CH3])C=O 62a_100000761930_200025704644 [1,0,0,0,1,0|1,1,0]=4 5506 B10R1.35 Cc1cc(sc1S[13CH3])C=O 62a_200025704644_100000761930 [1,0,0,0,1,0|1,1,0]=4 5507 B10R1.35 Cc1sc(cc1S[13CH3])C=O 62a_100000708457_200025704644 [1,0,0,0,1,0|1,1,0]=4 5508 B10R1.35 Cc1sc(cc1S[13CH3])C=O 62a_200025704644_100000708457 [1,0,0,0,1,0|1,1,0]=4 5509 B12R1.1879 C=Cc1cccc(c1OC)C=O 271570a_100011290941_100000692592 [0,0,0,0,1,1|1,0,1]=4 5510 B12R1.1879 C=Cc1cccc(c1OC)OC 271570a_100011290941_100009815961 [0,0,0,0,1,1|1,0,0]=3 5511 B12R1.1879 C=Cc1cncc(c1OC)C=O 271570a_100011290941_100015834815 [0,0,0,0,1,1|1,0,1]=4 5512 B12R1.1879 C=Cc1nccc(c1OC)C=O 271570a_100011290941_200009814792 [0,0,0,0,1,1|1,0,1]=4 5513 B12R1.1879 C=Cc1ncnc(c1OC)OC 271570a_100011290941_100012964862 [0,0,0,0,1,1|2,0,0]=4 5514 B12R1.1879 CNc1cccc(c1OC)OC 34a_100011217386_200000210301 [0,0,0,0,1,1|2,0,0]=4 5515 B12R1.1879 COc1c(cccc1O[13CH3])C#N 34a_200009874251_200025704644 [0,0,0,0,1,1|1,0,1]=4 5516 B12R1.1879 COc1c(cccc1SC)C=O 62a_100000692592_200000210301 [0,0,0,0,1,1|0,1,0]=3 5517 B12R1.1879 COc1c(cccc1SC)C=O 62a_200000210301_100000692592 [0,0,0,0,1,1|0,1,0]=3 5518 B12R1.1879 COc1c(cccc1S[13CH3])C=O 62a_100000692592_200025704644 [0,0,0,0,1,1|0,1,0]=3 5519 B12R1.1879 COc1c(cccc1S[13CH3])C=O 62a_200025704644_100000692592 [0,0,0,0,1,1|0,1,0]=3 5520 B12R1.1879 COc1c(ccnc1SC)C=O 62a_200000210301_100009863717 [0,0,0,0,1,1|0,1,0]=3 5521 B12R1.1879 COc1c(ccnc1SC)C=O 62a_200009814792_200000210301 [0,0,0,0,1,1|0,1,0]=3 5522 B12R1.1879 COc1c(ccnc1S[13CH3])C=O 62a_200009814792_200025704644 [0,0,0,0,1,1|0,1,0]=3 5523 B12R1.1879 COc1c(ccnc1S[13CH3])C=O 62a_200025704644_100009863717 [0,0,0,0,1,1|0,1,0]=3 5524 B12R1.1879 COc1c(cncc1SC)C=O 62a_100015834815_200000210301 [0,0,0,0,1,1|0,1,0]=3 5525 B12R1.1879 COc1c(cncc1SC)C=O 62a_200000210301_100015834815 [0,0,0,0,1,1|0,1,0]=3 5526 B12R1.1879 COc1c(cncc1S[13CH3])C=O 62a_100015834815_200025704644 [0,0,0,0,1,1|0,1,0]=3 5527 B12R1.1879 COc1c(cncc1S[13CH3])C=O 62a_200025704644_100015834815 [0,0,0,0,1,1|0,1,0]=3 5528 B12R1.1879 COc1cccc(c1OC)C#N 34a_100011934230_200000210301 [0,0,0,0,1,1|1,0,1]=4 5529 B12R1.1879 COc1cccc(c1OC)C#N 34a_200009874251_200000210301 [0,0,0,0,1,1|1,0,1]=4 5530 B12R1.1879 COc1cccc(c1OC)CO 34a_100011218668_200000210301 [0,0,0,0,1,1|0,0,2]=4 5531 B12R1.1879 COc1cccc(c1OC)N[13CH3] 34a_100011217386_200025704644 [0,0,0,0,1,1|2,0,0]=4 5532 B12R1.1879 COc1cccc(c1OC)OC 34a_100000032319_200000210301 [0,0,0,0,1,1|2,0,0]=4 5533 B12R1.1879 COc1cccc(c1OC)OC 34a_100000211025_200000210301 [0,0,0,0,1,1|2,0,0]=4 5534 B12R1.1879 COc1cccc(c1OC)O[13CH3] 34a_100000032319_200025704644 [0,0,0,0,1,1|2,0,0]=4 5535 B12R1.1879 COc1cccc(c1OC)SC 62a_200000210301_100010163134 [0,0,0,0,1,1|2,0,0]=4 5536 B12R1.1879 COc1cccc(c1OC)S[13CH3] 62a_200025704644_100010163134 [0,0,0,0,1,1|2,0,0]=4 5537 B12R1.1879 COc1cccc(c1O[13CH3])C#N 34a_100011934230_200025704644 [0,0,0,0,1,1|1,0,1]=4 5538 B12R1.1879 COc1cccc(c1O[13CH3])CO 34a_100011218668_200025704644 [0,0,0,0,1,1|0,0,2]=4 5539 B12R1.1879 COc1cccc(c1O[13CH3])OC 34a_100000211025_200025704644 [0,0,0,0,1,1|2,0,0]=4 5540 B12R1.1879 COc1cccc(c1SC)C=O 62a_100010209554_200000210301 [0,0,0,0,1,1|0,1,0]=3 5541 B12R1.1879 COc1cccc(c1SC)C=O 62a_200000210301_100010209554 [0,0,0,0,1,1|0,1,0]=3 5542 B12R1.1879 COc1cccc(c1S[13CH3])C=O 62a_100010209554_200025704644 [0,0,0,0,1,1|0,1,0]=3 5543 B12R1.1879 COc1cccc(c1S[13CH3])C=O 62a_200025704644_100010209554 [0,0,0,0,1,1|0,1,0]=3 5544 B12R1.58 C=Cc1cc(cc(c1)OC)C=O 271570a_100011290941_100009816777 [0,0,0,0,1,1|1,0,1]=4 5545 B12R1.58 C=Cc1cc(cc(c1)OC)OC 271570a_100011290941_100000685218 [0,0,0,0,1,1|1,0,0]=3 5546 B12R1.58 C=Cc1cc(cc(c1)SC)OC 271570a_100011290941_200010709149 [0,0,0,0,1,1|1,1,0]=4 5547 B12R1.58 C=Cc1cc(cc(n1)OC)OC 271570a_100011290941_100010008354 [0,0,0,0,1,1|2,0,0]=4 5548 B12R1.58 C=Cc1cc(nc(n1)OC)OC 271570a_100011290941_100000038909 [0,0,0,0,1,1|2,0,0]=4 5549 B12R1.58 CNc1cc(cc(c1)OC)OC 2230a_100000210928_200000210301 [0,0,0,0,1,1|2,0,0]=4 5550 B12R1.58 CNc1cc(cc(c1)OC)OC 34a_100000210928_200000210301 [0,0,0,0,1,1|2,0,0]=4 5551 B12R1.58 COc1cc(cc(c1)OC)N[13CH3] 2230a_100000210928_200025704644 [0,0,0,0,1,1|2,0,0]=4 5552 B12R1.58 COc1cc(cc(c1)OC)N[13CH3] 34a_100000210928_200025704644 [0,0,0,0,1,1|2,0,0]=4 5553 B12R1.58 COc1cc(cc(c1)OC)OC 34a_100000181322_200000210301 [0,0,0,0,1,1|2,0,0]=4 5554 B12R1.58 COc1cc(cc(c1)OC)OC 7a_100000181322_200000210301 [0,0,0,0,1,1|2,0,0]=4 5555 B12R1.58 COc1cc(cc(c1)O[13CH3])OC 34a_100000181322_200025704644 [0,0,0,0,1,1|2,0,0]=4 5556 B12R1.58 COc1cc(cc(c1)O[13CH3])OC 7a_100000181322_200025704644 [0,0,0,0,1,1|2,0,0]=4 5557 B12R1.58 COc1cc(cc(c1)SC)C=O 62a_100009816777_200000210301 [0,0,0,0,1,1|0,1,0]=3 5558 B12R1.58 COc1cc(cc(c1)SC)C=O 62a_200000210301_100009816777 [0,0,0,0,1,1|0,1,0]=3 5559 B12R1.58 COc1cc(cc(c1)SC)OC 62a_200000210301_100000685218 [0,0,0,0,1,1|2,0,0]=4 5560 B12R1.58 COc1cc(cc(c1)S[13CH3])C=O 62a_100009816777_200025704644 [0,0,0,0,1,1|0,1,0]=3 5561 B12R1.58 COc1cc(cc(c1)S[13CH3])C=O 62a_200025704644_100009816777 [0,0,0,0,1,1|0,1,0]=3 5562 B12R1.58 COc1cc(cc(c1)S[13CH3])OC 62a_200025704644_100000685218 [0,0,0,0,1,1|2,0,0]=4 5563 B12R1.58 COc1cc(nc(c1)SC)C=O 62a_200000210301_200009844316 [0,0,0,0,1,1|1,1,0]=4 5564 B12R1.58 COc1cc(nc(c1)SC)C=O 62a_200009844316_200000210301 [0,0,0,0,1,1|1,1,0]=4 5565 B12R1.58 COc1cc(nc(c1)S[13CH3])C=O 62a_200009844316_200025704644 [0,0,0,0,1,1|1,1,0]=4 5566 B12R1.58 COc1cc(nc(c1)S[13CH3])C=O 62a_200025704644_200009844316 [0,0,0,0,1,1|1,1,0]=4