0 B12R1.256 C=C(C)c1ccc(cc1)B(O)O 271570a_100000694244_100000754493 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.256 C=C(C)c1ccc(cc1)C(=C)C 271570a_100000694244_100000185454 [0,0,0,0,0,0|1,0,2]=3 2 B12R1.256 C=C(C)c1ccc(cc1)C(=O)C 1458a_200009908186_200000210301 [0,0,0,0,0,0|0,0,2]=2 3 B12R1.256 C=C(C)c1ccc(cc1)C(=O)C 271570a_100000694244_100000185465 [0,0,0,0,0,0|0,0,2]=2 4 B12R1.256 C=C(C)c1ccc(cc1)C(=O)N 271570a_100000694244_100000162191 [0,0,0,0,0,0|1,0,2]=3 5 B12R1.256 C=C(C)c1ccc(cc1)C(=O)[13CH3] 1458a_200009908186_200025704644 [0,0,0,0,0,0|0,0,2]=2 6 B12R1.256 C=C(C)c1ccc(cc1)C(C)C 271570a_100000694244_100000750031 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.256 C=C(C)c1ccc(cc1)C(C)O 271570a_100000694244_100000745893 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.256 C=C(C)c1ccc(cc1)C(F)F 271570a_100000694244_100010189923 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.256 C=C(C)c1ccc(cc1)N(C)C 271570a_100000694244_100000210421 [0,0,0,0,0,0|2,0,0]=2 10 B12R1.256 C=C(C)c1ccc(cc1)S(=O)C 271570a_100000694244_100009816266 [0,0,0,0,0,0|1,0,2]=3 11 B12R1.256 C=C(C)c1ccc(cc1)[C@@H](C)N 271570a_100000694244_100000720352 [0,0,0,0,0,0|2,0,0]=2 12 B12R1.256 C=C(C)c1ccc(cc1)[C@H](C)N 271570a_100000694244_100000753911 [0,0,0,0,0,0|2,0,0]=2 13 B12R1.256 C=C(C)c1ccc(cn1)C(=O)C 271570a_100000694244_100000684857 [0,0,0,0,0,0|1,0,2]=3 14 B12R1.256 C=C(C)c1ccc(cn1)C(=O)N 271570a_100000694244_100000162237 [0,0,0,0,0,0|2,0,2]=4 15 B12R1.256 C=C(C)c1ccc(cn1)C(C)C 271570a_100000694244_200009815286 [0,0,0,0,0,0|2,0,0]=2 16 B12R1.256 C=C(C)c1ccc(cn1)C(C)O 271570a_100000694244_200010274204 [0,0,0,0,0,0|3,0,0]=3 17 B12R1.256 C=C(C)c1ccc(cn1)C(F)F 271570a_100000694244_100000720607 [0,0,0,0,0,0|4,0,0]=4 18 B12R1.256 C=C(C)c1ccc(cn1)N(C)C 271570a_100000694244_100009992925 [0,0,0,0,0,0|3,0,0]=3 19 B12R1.256 C=C(C)c1ccc(cn1)[C@H](C)N 271570a_100000694244_100015387476 [0,0,0,0,0,0|3,0,0]=3 20 B12R1.256 C=C(C)c1ccc(nc1)C(=O)C 271570a_100000694244_100000686046 [0,0,0,0,0,0|1,0,2]=3 21 B12R1.256 C=C(C)c1ccc(nc1)C(=O)N 271570a_100000694244_100011219284 [0,0,0,0,0,0|2,0,2]=4 22 B12R1.256 C=C(C)c1ccc(nc1)C(C)C 271570a_100000694244_100010255768 [0,0,0,0,0,0|2,0,0]=2 23 B12R1.256 C=C(C)c1ccc(nc1)C(C)N 271570a_100000694244_100000723930 [0,0,0,0,0,0|3,0,0]=3 24 B12R1.256 C=C(C)c1ccc(nc1)C(C)O 271570a_100000694244_100012353650 [0,0,0,0,0,0|3,0,0]=3 25 B12R1.256 C=C(C)c1ccc(nc1)C(F)F 271570a_100000694244_100010253924 [0,0,0,0,0,0|4,0,0]=4 26 B12R1.256 C=C(C)c1ccc(nc1)N(C)C 271570a_100000694244_100011465347 [0,0,0,0,0,0|3,0,0]=3 27 B12R1.256 C=C(C)c1ccc(nn1)N(C)C 271570a_100000694244_100000215273 [0,0,0,0,0,0|4,0,0]=4 28 B12R1.256 C=C(C)c1cnc(cn1)C(=O)C 271570a_100000694244_100009883172 [0,0,0,0,0,0|2,0,2]=4 29 B12R1.256 C=C(C)c1cnc(cn1)N(C)C 271570a_100000694244_100012356732 [0,0,0,0,0,0|4,0,0]=4 30 B12R1.256 C=C(C)c1cnc(nc1)C(=O)C 271570a_100000694244_100010077182 [0,0,0,0,0,0|2,0,2]=4 31 B12R1.256 C=C(C)c1cnc(nc1)C(C)C 271570a_100000694244_200009814916 [0,0,0,0,0,0|3,0,0]=3 32 B12R1.256 C=C(C)c1cnc(nc1)N(C)C 271570a_100000694244_100011934759 [0,0,0,0,0,0|4,0,0]=4 33 B12R1.256 C=C(C)c1ncc(cn1)C(=O)C 271570a_100000694244_100000099681 [0,0,0,0,0,0|2,0,2]=4 34 B12R1.256 C=C(C)c1ncc(cn1)C(C)C 271570a_100000694244_100000102307 [0,0,0,0,0,0|3,0,0]=3 35 B12R1.256 CC(=O)c1ccc(cc1)C(=O)N 1458a_100000230133_200000210301 [0,0,0,0,0,0|2,0,1]=3 36 B12R1.256 CC(=O)c1ccc(cc1)C(C)C 1458a_100000210772_200000210301 [0,0,0,0,0,0|0,0,0]=0 37 B12R1.256 CC(=O)c1ccc(cc1)C(C)O 1458a_100000076921_200000210301 [0,0,0,0,0,0|1,0,0]=1 38 B12R1.256 CC(=O)c1ccc(cc1)C(F)F 1458a_100011735500_200000210301 [0,0,0,0,0,0|2,0,0]=2 39 B12R1.256 CC(=O)c1ccc(cc1)N(C)C 1458a_100000210873_200000210301 [0,0,0,0,0,0|1,0,0]=1 40 B12R1.256 CC(=O)c1ccc(cc1)S(=O)C 1458a_200000217594_200000210301 [0,0,0,0,0,0|2,0,0]=2 41 B12R1.256 CC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_200000210301 [0,0,0,0,0,0|3,0,0]=3 42 B12R1.256 CC(=O)c1ccc(nc1)C(F)F 1458a_100009846429_200000210301 [0,0,0,0,0,0|3,0,0]=3 43 B12R1.256 CC(=O)c1ccc(nc1)N(C)C 27a_100102631434_100000690552 [0,0,0,0,0,0|2,0,0]=2 44 B12R1.256 CC(=O)c1cnc(cn1)C(F)F 1458a_100009910397_200000210301 [0,0,0,0,0,0|4,0,0]=4 45 B12R1.256 CC(=O)c1cnc(cn1)N(C)C 27a_100102631434_100009883172 [0,0,0,0,0,0|3,0,0]=3 46 B12R1.256 CC(=O)c1cnc(nc1)N(C)C 27a_100102631434_100000099681 [0,0,0,0,0,0|3,0,0]=3 47 B12R1.256 CC(C)c1ccc(cc1)C(=O)[13CH3] 1458a_100000210772_200025704644 [0,0,0,0,0,0|0,0,0]=0 48 B12R1.256 CC(C)c1ccc(cc1)N(C)C 2230a_100000688768_200000210301 [0,0,0,0,0,0|2,0,0]=2 49 B12R1.256 CC(C)c1ccc(cc1)N(C)C 269982a_100000688768_200000210301 [0,0,0,0,0,0|2,0,0]=2 50 B12R1.256 CC(C)c1ccc(cc1)N(C)C 34a_100000688768_200000210301 [0,0,0,0,0,0|2,0,0]=2 51 B12R1.256 CC(C)c1ccc(cc1)N(C)C 38a_100000688768_200000210301 [0,0,0,0,0,0|2,0,0]=2 52 B12R1.256 CC(C)c1ccc(cc1)N(C)[13CH3] 2230a_100000688768_200025704644 [0,0,0,0,0,0|2,0,0]=2 53 B12R1.256 CC(C)c1ccc(cc1)N(C)[13CH3] 269982a_100000688768_200025704644 [0,0,0,0,0,0|2,0,0]=2 54 B12R1.256 CC(C)c1ccc(cc1)N(C)[13CH3] 34a_100000688768_200025704644 [0,0,0,0,0,0|2,0,0]=2 55 B12R1.256 CC(C)c1ccc(cc1)N(C)[13CH3] 38a_100000688768_200025704644 [0,0,0,0,0,0|2,0,0]=2 56 B12R1.256 CC(C)c1cnc(nc1)N(C)C 27a_100102631434_100000102307 [0,0,0,0,0,0|4,0,0]=4 57 B12R1.256 CC(C)c1ncc(cn1)N(C)C 27a_100102631434_200009814916 [0,0,0,0,0,0|4,0,0]=4 58 B12R1.256 CC(O)c1ccc(cc1)C(=O)[13CH3] 1458a_100000076921_200025704644 [0,0,0,0,0,0|1,0,0]=1 59 B12R1.256 CN(C)c1ccc(cc1)C(=O)N 27a_100102631434_100000162191 [0,0,0,0,0,0|2,0,0]=2 60 B12R1.256 CN(C)c1ccc(cc1)C(=O)[13CH3] 1458a_100000210873_200025704644 [0,0,0,0,0,0|1,0,0]=1 61 B12R1.256 CN(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_200000210301 [0,0,0,0,0,0|3,0,0]=3 62 B12R1.256 CN(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_200000210301 [0,0,0,0,0,0|3,0,0]=3 63 B12R1.256 CN(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_200000210301 [0,0,0,0,0,0|3,0,0]=3 64 B12R1.256 CN(C)c1ccc(cn1)C(=O)N 27a_100102631434_100000162237 [0,0,0,0,0,0|3,0,0]=3 65 B12R1.256 CN(C)c1ccc(nn1)C(=O)N 27a_100102631434_100000761398 [0,0,0,0,0,0|4,0,0]=4 66 B12R1.256 CN(C)c1cnc(cn1)C(=O)N 27a_100102631434_100000738300 [0,0,0,0,0,0|4,0,0]=4 67 B12R1.256 CN([13CH3])c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_200025704644 [0,0,0,0,0,0|3,0,0]=3 68 B12R1.256 CN([13CH3])c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_200025704644 [0,0,0,0,0,0|3,0,0]=3 69 B12R1.256 CN([13CH3])c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_200025704644 [0,0,0,0,0,0|3,0,0]=3 70 B12R1.256 CS(=O)c1ccc(cc1)C(=O)[13CH3] 1458a_200000217594_200025704644 [0,0,0,0,0,0|2,0,0]=2 71 B12R1.256 [13CH3]C(=O)c1ccc(cc1)C(=O)N 1458a_100000230133_200025704644 [0,0,0,0,0,0|2,0,1]=3 72 B12R1.256 [13CH3]C(=O)c1ccc(cc1)C(F)F 1458a_100011735500_200025704644 [0,0,0,0,0,0|2,0,0]=2 73 B12R1.256 [13CH3]C(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_200025704644 [0,0,0,0,0,0|3,0,0]=3 74 B12R1.256 [13CH3]C(=O)c1ccc(nc1)C(F)F 1458a_100009846429_200025704644 [0,0,0,0,0,0|3,0,0]=3 75 B12R1.256 [13CH3]C(=O)c1cnc(cn1)C(F)F 1458a_100009910397_200025704644 [0,0,0,0,0,0|4,0,0]=4 76 B11R1.3 C#Cc1ccc(cc1)C(=O)C 1458a_100011217615_200000210301 [1,0,0,0,0,0|0,0,2]=3 77 B11R1.3 C#Cc1ccc(cc1)C(=O)[13CH3] 1458a_100011217615_200025704644 [1,0,0,0,0,0|0,0,2]=3 78 B11R1.3 C=C(C)c1ccc(cc1)C#N 271570a_100000694244_100000179745 [1,0,0,0,0,0|2,0,1]=4 79 B11R1.3 C=C(C)c1ccc(cc1)C=O 271570a_100000694244_100000186029 [1,0,0,0,0,0|0,0,2]=3 80 B11R1.3 C=C(C)c1ccc(cc1)CC 271570a_100000694244_100011215824 [1,0,0,0,0,0|1,0,0]=2 81 B11R1.3 C=C(C)c1ccc(cc1)CF 271570a_100000694244_100010268989 [1,0,0,0,0,0|2,0,0]=3 82 B11R1.3 C=C(C)c1ccc(cc1)CN 271570a_100000694244_100016989417 [1,0,0,0,0,0|2,0,0]=3 83 B11R1.3 C=C(C)c1ccc(cc1)CO 271570a_100000694244_100000690907 [1,0,0,0,0,0|2,0,0]=3 84 B11R1.3 C=C(C)c1ccc(cc1)NC 271570a_100000694244_100000219623 [1,0,0,0,0,0|2,0,0]=3 85 B11R1.3 C=C(C)c1ccc(cc1)NN 271570a_100000694244_100016988836 [1,0,0,0,0,0|3,0,0]=4 86 B11R1.3 C=C(C)c1ccc(cc1)OC 271570a_100000694244_100000171711 [1,0,0,0,0,0|2,0,0]=3 87 B11R1.3 C=C(C)c1ccc(cc1)OC 34a_100009880102_200000210301 [1,0,0,0,0,0|2,0,0]=3 88 B11R1.3 C=C(C)c1ccc(cc1)OC 7a_100009880102_200000210301 [1,0,0,0,0,0|2,0,0]=3 89 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 34a_100009880102_200025704644 [1,0,0,0,0,0|2,0,0]=3 90 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 7a_100009880102_200025704644 [1,0,0,0,0,0|2,0,0]=3 91 B11R1.3 C=C(C)c1ccc(cc1)SC 271570a_100000694244_100011263217 [1,0,0,0,0,0|2,0,0]=3 92 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_100000185454_200000210301 [1,0,0,0,0,0|2,0,0]=3 93 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_200000210301_100000185454 [1,0,0,0,0,0|2,0,0]=3 94 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_100000185454_200025704644 [1,0,0,0,0,0|2,0,0]=3 95 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185454 [1,0,0,0,0,0|2,0,0]=3 96 B11R1.3 C=C(C)c1ccc(cn1)C=O 271570a_100000694244_100000766901 [1,0,0,0,0,0|1,0,2]=4 97 B11R1.3 C=C(C)c1ccc(cn1)CC 271570a_100000694244_100009843584 [1,0,0,0,0,0|2,0,0]=3 98 B11R1.3 C=C(C)c1ccc(cn1)CN 271570a_100000694244_100009817727 [1,0,0,0,0,0|3,0,0]=4 99 B11R1.3 C=C(C)c1ccc(cn1)CO 271570a_100000694244_100009816760 [1,0,0,0,0,0|3,0,0]=4 100 B11R1.3 C=C(C)c1ccc(cn1)NC 271570a_100000694244_100000764248 [1,0,0,0,0,0|3,0,0]=4 101 B11R1.3 C=C(C)c1ccc(cn1)OC 271570a_100000694244_100000755202 [1,0,0,0,0,0|3,0,0]=4 102 B11R1.3 C=C(C)c1ccc(cn1)SC 271570a_100000694244_100009820866 [1,0,0,0,0,0|3,0,0]=4 103 B11R1.3 C=C(C)c1ccc(nc1)C=O 271570a_100000694244_100000754260 [1,0,0,0,0,0|1,0,2]=4 104 B11R1.3 C=C(C)c1ccc(nc1)CC 271570a_100000694244_100009820025 [1,0,0,0,0,0|2,0,0]=3 105 B11R1.3 C=C(C)c1ccc(nc1)CN 271570a_100000694244_100015188789 [1,0,0,0,0,0|3,0,0]=4 106 B11R1.3 C=C(C)c1ccc(nc1)CO 271570a_100000694244_100000754261 [1,0,0,0,0,0|3,0,0]=4 107 B11R1.3 C=C(C)c1ccc(nc1)NC 271570a_100000694244_100000741341 [1,0,0,0,0,0|3,0,0]=4 108 B11R1.3 C=C(C)c1ccc(nc1)OC 271570a_100000694244_100000047065 [1,0,0,0,0,0|3,0,0]=4 109 B11R1.3 C=C(C)c1ccc(nc1)SC 271570a_100000694244_100011408404 [1,0,0,0,0,0|3,0,0]=4 110 B11R1.3 C=C(C)c1ncc(cn1)CC 271570a_100000694244_100000033099 [1,0,0,0,0,0|3,0,0]=4 111 B11R1.3 C=Cc1ccc(cc1)C(=C)C 271570a_100011290941_100000185454 [1,0,0,0,0,0|0,0,3]=4 112 B11R1.3 C=Cc1ccc(cc1)C(=O)C 1458a_100000687532_200000210301 [1,0,0,0,0,0|0,0,2]=3 113 B11R1.3 C=Cc1ccc(cc1)C(=O)C 271570a_100011290941_100000185465 [1,0,0,0,0,0|0,0,2]=3 114 B11R1.3 C=Cc1ccc(cc1)C(=O)N 271570a_100011290941_100000162191 [1,0,0,0,0,0|1,0,2]=4 115 B11R1.3 C=Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000687532_200025704644 [1,0,0,0,0,0|0,0,2]=3 116 B11R1.3 C=Cc1ccc(cc1)C(C)C 271570a_100011290941_100000750031 [1,0,0,0,0,0|0,0,1]=2 117 B11R1.3 C=Cc1ccc(cc1)C(C)O 271570a_100011290941_100000745893 [1,0,0,0,0,0|1,0,1]=3 118 B11R1.3 C=Cc1ccc(cc1)C(F)F 271570a_100011290941_100010189923 [1,0,0,0,0,0|2,0,1]=4 119 B11R1.3 C=Cc1ccc(cc1)N(C)C 271570a_100011290941_100000210421 [1,0,0,0,0,0|1,0,1]=3 120 B11R1.3 C=Cc1ccc(cc1)S(=O)C 271570a_100011290941_100009816266 [1,0,0,0,0,0|1,0,2]=4 121 B11R1.3 C=Cc1ccc(cc1)[C@@H](C)N 271570a_100011290941_100000720352 [1,0,0,0,0,0|1,0,1]=3 122 B11R1.3 C=Cc1ccc(cc1)[C@H](C)N 271570a_100011290941_100000753911 [1,0,0,0,0,0|1,0,1]=3 123 B11R1.3 C=Cc1ccc(cn1)C(=O)C 271570a_100011290941_100000684857 [1,0,0,0,0,0|1,0,2]=4 124 B11R1.3 C=Cc1ccc(cn1)C(C)C 271570a_100011290941_200009815286 [1,0,0,0,0,0|1,0,1]=3 125 B11R1.3 C=Cc1ccc(cn1)C(C)O 271570a_100011290941_200010274204 [1,0,0,0,0,0|2,0,1]=4 126 B11R1.3 C=Cc1ccc(cn1)N(C)C 271570a_100011290941_100009992925 [1,0,0,0,0,0|2,0,1]=4 127 B11R1.3 C=Cc1ccc(cn1)[C@H](C)N 271570a_100011290941_100015387476 [1,0,0,0,0,0|2,0,1]=4 128 B11R1.3 C=Cc1ccc(nc1)C(=O)C 271570a_100011290941_100000686046 [1,0,0,0,0,0|1,0,2]=4 129 B11R1.3 C=Cc1ccc(nc1)C(C)C 271570a_100011290941_100010255768 [1,0,0,0,0,0|1,0,1]=3 130 B11R1.3 C=Cc1ccc(nc1)C(C)N 271570a_100011290941_100000723930 [1,0,0,0,0,0|2,0,1]=4 131 B11R1.3 C=Cc1ccc(nc1)C(C)O 271570a_100011290941_100012353650 [1,0,0,0,0,0|2,0,1]=4 132 B11R1.3 C=Cc1ccc(nc1)N(C)C 271570a_100011290941_100011465347 [1,0,0,0,0,0|2,0,1]=4 133 B11R1.3 C=Cc1cnc(nc1)C(C)C 271570a_100011290941_200009814916 [1,0,0,0,0,0|2,0,1]=4 134 B11R1.3 C=Cc1ncc(cn1)C(C)C 271570a_100011290941_100000102307 [1,0,0,0,0,0|2,0,1]=4 135 B11R1.3 CC(=O)c1ccc(cc1)C#N 1458a_100000210717_200000210301 [1,0,0,0,0,0|1,0,1]=3 136 B11R1.3 CC(=O)c1ccc(cc1)CO 1458a_100000183892_200000210301 [1,0,0,0,0,0|1,0,0]=2 137 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 34a_100000185113_200025704644 [1,0,0,0,0,0|1,0,0]=2 138 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 7a_100000185113_200025704644 [1,0,0,0,0,0|1,0,0]=2 139 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_100000185465_200025704644 [1,0,0,0,0,0|1,0,0]=2 140 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185465 [1,0,0,0,0,0|1,0,0]=2 141 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 34a_100012001710_200025704644 [1,0,0,0,0,0|2,0,0]=3 142 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 7a_100012001710_200025704644 [1,0,0,0,0,0|2,0,0]=3 143 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_100000686046_200025704644 [1,0,0,0,0,0|2,0,0]=3 144 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100000686046 [1,0,0,0,0,0|2,0,0]=3 145 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_100000684857_200025704644 [1,0,0,0,0,0|2,0,0]=3 146 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000684857 [1,0,0,0,0,0|2,0,0]=3 147 B11R1.3 CC(=O)c1cnc(cn1)S[13CH3] 62a_100009883172_200025704644 [1,0,0,0,0,0|3,0,0]=4 148 B11R1.3 CC(=O)c1cnc(cn1)S[13CH3] 62a_200025704644_100009883172 [1,0,0,0,0,0|3,0,0]=4 149 B11R1.3 CC(=O)c1cnc(nc1)S[13CH3] 62a_100000099681_200025704644 [1,0,0,0,0,0|3,0,0]=4 150 B11R1.3 CC(=O)c1cnc(nc1)S[13CH3] 62a_200025704644_100000099681 [1,0,0,0,0,0|3,0,0]=4 151 B11R1.3 CC(=O)c1ncc(cn1)S[13CH3] 62a_100010077182_200025704644 [1,0,0,0,0,0|3,0,0]=4 152 B11R1.3 CC(=O)c1ncc(cn1)S[13CH3] 62a_200025704644_100010077182 [1,0,0,0,0,0|3,0,0]=4 153 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 2230a_100000210773_200025704644 [1,0,0,0,0,0|1,0,0]=2 154 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 34a_100000210773_200025704644 [1,0,0,0,0,0|1,0,0]=2 155 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 7a_100000210773_200025704644 [1,0,0,0,0,0|1,0,0]=2 156 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 34a_100000181308_200025704644 [1,0,0,0,0,0|1,0,0]=2 157 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 7a_100000181308_200025704644 [1,0,0,0,0,0|1,0,0]=2 158 B11R1.3 CC(C)c1ccc(cc1)S[13CH3] 62a_100000750031_200025704644 [1,0,0,0,0,0|1,0,0]=2 159 B11R1.3 CC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000750031 [1,0,0,0,0,0|1,0,0]=2 160 B11R1.3 CC(C)c1ccc(cn1)S[13CH3] 62a_100010255768_200025704644 [1,0,0,0,0,0|2,0,0]=3 161 B11R1.3 CC(C)c1ccc(cn1)S[13CH3] 62a_200025704644_100010255768 [1,0,0,0,0,0|2,0,0]=3 162 B11R1.3 CC(C)c1ccc(nc1)S[13CH3] 62a_200009815286_200025704644 [1,0,0,0,0,0|2,0,0]=3 163 B11R1.3 CC(C)c1ccc(nc1)S[13CH3] 62a_200025704644_200009815286 [1,0,0,0,0,0|2,0,0]=3 164 B11R1.3 CC(C)c1cnc(nc1)S[13CH3] 62a_100000102307_200025704644 [1,0,0,0,0,0|3,0,0]=4 165 B11R1.3 CC(C)c1cnc(nc1)S[13CH3] 62a_200025704644_100000102307 [1,0,0,0,0,0|3,0,0]=4 166 B11R1.3 CC(C)c1ncc(cn1)S[13CH3] 62a_200009814916_200025704644 [1,0,0,0,0,0|3,0,0]=4 167 B11R1.3 CC(C)c1ncc(cn1)S[13CH3] 62a_200025704644_200009814916 [1,0,0,0,0,0|3,0,0]=4 168 B11R1.3 CC(N)c1ccc(cn1)S[13CH3] 62a_100000723930_200025704644 [1,0,0,0,0,0|3,0,0]=4 169 B11R1.3 CC(N)c1ccc(cn1)S[13CH3] 62a_200025704644_100000723930 [1,0,0,0,0,0|3,0,0]=4 170 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 2230a_100011216399_200025704644 [1,0,0,0,0,0|2,0,0]=3 171 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 34a_100011216399_200025704644 [1,0,0,0,0,0|2,0,0]=3 172 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 34a_100000754508_200025704644 [1,0,0,0,0,0|2,0,0]=3 173 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 7a_100000754508_200025704644 [1,0,0,0,0,0|2,0,0]=3 174 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_100000745893_200025704644 [1,0,0,0,0,0|2,0,0]=3 175 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000745893 [1,0,0,0,0,0|2,0,0]=3 176 B11R1.3 CC(O)c1ccc(cn1)S[13CH3] 62a_100012353650_200025704644 [1,0,0,0,0,0|3,0,0]=4 177 B11R1.3 CC(O)c1ccc(cn1)S[13CH3] 62a_200025704644_100012353650 [1,0,0,0,0,0|3,0,0]=4 178 B11R1.3 CC(O)c1ccc(nc1)S[13CH3] 62a_200010274204_200025704644 [1,0,0,0,0,0|3,0,0]=4 179 B11R1.3 CC(O)c1ccc(nc1)S[13CH3] 62a_200025704644_200010274204 [1,0,0,0,0,0|3,0,0]=4 180 B11R1.3 CCc1ccc(cc1)C(=O)C 1458a_100000211226_200000210301 [1,0,0,0,0,0|0,0,0]=1 181 B11R1.3 CCc1ccc(cc1)C(=O)[13CH3] 1458a_100000211226_200025704644 [1,0,0,0,0,0|0,0,0]=1 182 B11R1.3 CN(C)c1ccc(cc1)C#N 269982a_100000739737_200000210301 [1,0,0,0,0,0|2,0,1]=4 183 B11R1.3 CN(C)c1ccc(cc1)C#N 34a_100000739737_200000210301 [1,0,0,0,0,0|2,0,1]=4 184 B11R1.3 CN(C)c1ccc(cc1)N[13CH3] 34a_100016997997_200025704644 [1,0,0,0,0,0|2,0,0]=3 185 B11R1.3 CN(C)c1ccc(cc1)O[13CH3] 34a_100000718910_200025704644 [1,0,0,0,0,0|2,0,0]=3 186 B11R1.3 CN(C)c1ccc(cc1)S[13CH3] 62a_100000210421_200025704644 [1,0,0,0,0,0|2,0,0]=3 187 B11R1.3 CN(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000210421 [1,0,0,0,0,0|2,0,0]=3 188 B11R1.3 CN(C)c1ccc(cn1)S[13CH3] 62a_100011465347_200025704644 [1,0,0,0,0,0|3,0,0]=4 189 B11R1.3 CN(C)c1ccc(cn1)S[13CH3] 62a_200025704644_100011465347 [1,0,0,0,0,0|3,0,0]=4 190 B11R1.3 CN(C)c1ccc(nc1)S[13CH3] 62a_100009992925_200025704644 [1,0,0,0,0,0|3,0,0]=4 191 B11R1.3 CN(C)c1ccc(nc1)S[13CH3] 62a_200025704644_100009992925 [1,0,0,0,0,0|3,0,0]=4 192 B11R1.3 CN(C)c1cnc(cn1)C=O 27a_100102631434_100012001714 [1,0,0,0,0,0|3,0,0]=4 193 B11R1.3 CN(C)c1ncc(cn1)C=O 27a_100102631434_100000070856 [1,0,0,0,0,0|3,0,0]=4 194 B11R1.3 CN([13CH3])c1ccc(cc1)C#N 269982a_100000739737_200025704644 [1,0,0,0,0,0|2,0,1]=4 195 B11R1.3 CN([13CH3])c1ccc(cc1)C#N 34a_100000739737_200025704644 [1,0,0,0,0,0|2,0,1]=4 196 B11R1.3 CNc1ccc(cc1)C(=O)N 27a_100102657272_100000162191 [1,0,0,0,0,0|2,0,0]=3 197 B11R1.3 CNc1ccc(cc1)C(=O)N 34a_100000210537_200000210301 [1,0,0,0,0,0|2,0,0]=3 198 B11R1.3 CNc1ccc(cc1)C(C)C 2230a_100000210773_200000210301 [1,0,0,0,0,0|1,0,0]=2 199 B11R1.3 CNc1ccc(cc1)C(C)C 34a_100000210773_200000210301 [1,0,0,0,0,0|1,0,0]=2 200 B11R1.3 CNc1ccc(cc1)C(C)C 7a_100000210773_200000210301 [1,0,0,0,0,0|1,0,0]=2 201 B11R1.3 CNc1ccc(cc1)C(C)O 2230a_100011216399_200000210301 [1,0,0,0,0,0|2,0,0]=3 202 B11R1.3 CNc1ccc(cc1)C(C)O 34a_100011216399_200000210301 [1,0,0,0,0,0|2,0,0]=3 203 B11R1.3 CNc1ccc(cc1)C(F)F 34a_100020620101_200000210301 [1,0,0,0,0,0|3,0,0]=4 204 B11R1.3 CNc1ccc(cc1)C(F)F 7a_100020620101_200000210301 [1,0,0,0,0,0|3,0,0]=4 205 B11R1.3 CNc1ccc(cc1)N(C)C 34a_100016997997_200000210301 [1,0,0,0,0,0|2,0,0]=3 206 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200000210301 [1,0,0,0,0,0|3,0,0]=4 207 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200000210301 [1,0,0,0,0,0|3,0,0]=4 208 B11R1.3 CNc1ccc(cn1)C(=O)C 27a_100102657272_100000690552 [1,0,0,0,0,0|2,0,0]=3 209 B11R1.3 CNc1ccc(cn1)C(=O)N 27a_100102657272_100000162237 [1,0,0,0,0,0|3,0,0]=4 210 B11R1.3 CNc1cnc(cn1)C(=O)C 27a_100102657272_100009883172 [1,0,0,0,0,0|3,0,0]=4 211 B11R1.3 CNc1cnc(nc1)C(C)C 27a_100102657272_200009814916 [1,0,0,0,0,0|3,0,0]=4 212 B11R1.3 CNc1ncc(cn1)C(=O)C 27a_100102657272_100000099681 [1,0,0,0,0,0|3,0,0]=4 213 B11R1.3 CNc1ncc(cn1)C(C)C 27a_100102657272_100000102307 [1,0,0,0,0,0|3,0,0]=4 214 B11R1.3 COc1ccc(cc1)C(=O)C 1458a_100000184203_200000210301 [1,0,0,0,0,0|1,0,0]=2 215 B11R1.3 COc1ccc(cc1)C(=O)C 34a_100000185113_200000210301 [1,0,0,0,0,0|1,0,0]=2 216 B11R1.3 COc1ccc(cc1)C(=O)C 7a_100000185113_200000210301 [1,0,0,0,0,0|1,0,0]=2 217 B11R1.3 COc1ccc(cc1)C(=O)N 34a_100000746352_200000210301 [1,0,0,0,0,0|2,0,0]=3 218 B11R1.3 COc1ccc(cc1)C(=O)N 7a_100000746352_200000210301 [1,0,0,0,0,0|2,0,0]=3 219 B11R1.3 COc1ccc(cc1)C(=O)[13CH3] 1458a_100000184203_200025704644 [1,0,0,0,0,0|1,0,0]=2 220 B11R1.3 COc1ccc(cc1)C(C)C 34a_100000181308_200000210301 [1,0,0,0,0,0|1,0,0]=2 221 B11R1.3 COc1ccc(cc1)C(C)C 7a_100000181308_200000210301 [1,0,0,0,0,0|1,0,0]=2 222 B11R1.3 COc1ccc(cc1)C(C)O 34a_100000754508_200000210301 [1,0,0,0,0,0|2,0,0]=3 223 B11R1.3 COc1ccc(cc1)C(C)O 7a_100000754508_200000210301 [1,0,0,0,0,0|2,0,0]=3 224 B11R1.3 COc1ccc(cc1)N(C)C 2230a_100000220023_200000210301 [1,0,0,0,0,0|2,0,0]=3 225 B11R1.3 COc1ccc(cc1)N(C)C 269982a_100000220023_200000210301 [1,0,0,0,0,0|2,0,0]=3 226 B11R1.3 COc1ccc(cc1)N(C)C 34a_100000220023_200000210301 [1,0,0,0,0,0|2,0,0]=3 227 B11R1.3 COc1ccc(cc1)N(C)C 34a_100000718910_200000210301 [1,0,0,0,0,0|2,0,0]=3 228 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 2230a_100000220023_200025704644 [1,0,0,0,0,0|2,0,0]=3 229 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 269982a_100000220023_200025704644 [1,0,0,0,0,0|2,0,0]=3 230 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 34a_100000220023_200025704644 [1,0,0,0,0,0|2,0,0]=3 231 B11R1.3 COc1ccc(cc1)S(=O)C 34a_200000064373_200000210301 [1,0,0,0,0,0|2,0,0]=3 232 B11R1.3 COc1ccc(cc1)S(=O)C 7a_200000064373_200000210301 [1,0,0,0,0,0|2,0,0]=3 233 B11R1.3 COc1ccc(cc1)[C@H](C)N 34a_100161106496_200000210301 [1,0,0,0,0,0|2,0,0]=3 234 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200000210301 [1,0,0,0,0,0|3,0,0]=4 235 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200000210301 [1,0,0,0,0,0|3,0,0]=4 236 B11R1.3 COc1ccc(cc1)[S+](C)C 34a_100010188728_200000210301 [1,0,0,0,0,0|2,0,0]=3 237 B11R1.3 COc1ccc(cc1)[S+](C)C 7a_100010188728_200000210301 [1,0,0,0,0,0|2,0,0]=3 238 B11R1.3 COc1ccc(nc1)C(=O)C 34a_100012001710_200000210301 [1,0,0,0,0,0|2,0,0]=3 239 B11R1.3 COc1ccc(nc1)C(=O)C 7a_100012001710_200000210301 [1,0,0,0,0,0|2,0,0]=3 240 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 34a_200000064373_200025704644 [1,0,0,0,0,0|2,0,0]=3 241 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 7a_200000064373_200025704644 [1,0,0,0,0,0|2,0,0]=3 242 B11R1.3 CS(=O)c1ccc(cc1)S[13CH3] 62a_100009816266_200025704644 [1,0,0,0,0,0|2,0,0]=3 243 B11R1.3 CSc1ccc(cc1)C(=O)C 1458a_100000189692_200000210301 [1,0,0,0,0,0|1,0,0]=2 244 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_100000185465_200000210301 [1,0,0,0,0,0|1,0,0]=2 245 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_200000210301_100000185465 [1,0,0,0,0,0|1,0,0]=2 246 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_100000162191_200000210301 [1,0,0,0,0,0|2,0,0]=3 247 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_200000210301_100000162191 [1,0,0,0,0,0|2,0,0]=3 248 B11R1.3 CSc1ccc(cc1)C(=O)[13CH3] 1458a_100000189692_200025704644 [1,0,0,0,0,0|1,0,0]=2 249 B11R1.3 CSc1ccc(cc1)C(C)C 62a_100000750031_200000210301 [1,0,0,0,0,0|1,0,0]=2 250 B11R1.3 CSc1ccc(cc1)C(C)C 62a_200000210301_100000750031 [1,0,0,0,0,0|1,0,0]=2 251 B11R1.3 CSc1ccc(cc1)C(C)O 62a_100000745893_200000210301 [1,0,0,0,0,0|2,0,0]=3 252 B11R1.3 CSc1ccc(cc1)C(C)O 62a_200000210301_100000745893 [1,0,0,0,0,0|2,0,0]=3 253 B11R1.3 CSc1ccc(cc1)C(F)F 62a_100000687661_200000210301 [1,0,0,0,0,0|3,0,0]=4 254 B11R1.3 CSc1ccc(cc1)C(F)F 62a_200000210301_100000687661 [1,0,0,0,0,0|3,0,0]=4 255 B11R1.3 CSc1ccc(cc1)N(C)C 62a_100000210421_200000210301 [1,0,0,0,0,0|2,0,0]=3 256 B11R1.3 CSc1ccc(cc1)N(C)C 62a_200000210301_100000210421 [1,0,0,0,0,0|2,0,0]=3 257 B11R1.3 CSc1ccc(cc1)S(=O)C 62a_100009816266_200000210301 [1,0,0,0,0,0|2,0,0]=3 258 B11R1.3 CSc1ccc(cc1)[C@@H](C)N 62a_100000720352_200000210301 [1,0,0,0,0,0|2,0,0]=3 259 B11R1.3 CSc1ccc(cc1)[C@@H](C)N 62a_200000210301_100000720352 [1,0,0,0,0,0|2,0,0]=3 260 B11R1.3 CSc1ccc(cc1)[C@H](C)N 62a_100000753911_200000210301 [1,0,0,0,0,0|2,0,0]=3 261 B11R1.3 CSc1ccc(cc1)[C@H](C)N 62a_200000210301_100000753911 [1,0,0,0,0,0|2,0,0]=3 262 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_100000684857_200000210301 [1,0,0,0,0,0|2,0,0]=3 263 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_200000210301_100000684857 [1,0,0,0,0,0|2,0,0]=3 264 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_100000162237_200000210301 [1,0,0,0,0,0|3,0,0]=4 265 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_200000210301_100000162237 [1,0,0,0,0,0|3,0,0]=4 266 B11R1.3 CSc1ccc(cn1)C(C)C 62a_200000210301_200009815286 [1,0,0,0,0,0|2,0,0]=3 267 B11R1.3 CSc1ccc(cn1)C(C)C 62a_200009815286_200000210301 [1,0,0,0,0,0|2,0,0]=3 268 B11R1.3 CSc1ccc(cn1)C(C)O 62a_200000210301_200010274204 [1,0,0,0,0,0|3,0,0]=4 269 B11R1.3 CSc1ccc(cn1)C(C)O 62a_200010274204_200000210301 [1,0,0,0,0,0|3,0,0]=4 270 B11R1.3 CSc1ccc(cn1)N(C)C 62a_100009992925_200000210301 [1,0,0,0,0,0|3,0,0]=4 271 B11R1.3 CSc1ccc(cn1)N(C)C 62a_200000210301_100009992925 [1,0,0,0,0,0|3,0,0]=4 272 B11R1.3 CSc1ccc(cn1)[C@H](C)N 62a_100015387476_200000210301 [1,0,0,0,0,0|3,0,0]=4 273 B11R1.3 CSc1ccc(cn1)[C@H](C)N 62a_200000210301_100015387476 [1,0,0,0,0,0|3,0,0]=4 274 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_100000686046_200000210301 [1,0,0,0,0,0|2,0,0]=3 275 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_200000210301_100000686046 [1,0,0,0,0,0|2,0,0]=3 276 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_100011219284_200000210301 [1,0,0,0,0,0|3,0,0]=4 277 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_200000210301_100011219284 [1,0,0,0,0,0|3,0,0]=4 278 B11R1.3 CSc1ccc(nc1)C(C)C 62a_100010255768_200000210301 [1,0,0,0,0,0|2,0,0]=3 279 B11R1.3 CSc1ccc(nc1)C(C)C 62a_200000210301_100010255768 [1,0,0,0,0,0|2,0,0]=3 280 B11R1.3 CSc1ccc(nc1)C(C)N 62a_100000723930_200000210301 [1,0,0,0,0,0|3,0,0]=4 281 B11R1.3 CSc1ccc(nc1)C(C)N 62a_200000210301_100000723930 [1,0,0,0,0,0|3,0,0]=4 282 B11R1.3 CSc1ccc(nc1)C(C)O 62a_100012353650_200000210301 [1,0,0,0,0,0|3,0,0]=4 283 B11R1.3 CSc1ccc(nc1)C(C)O 62a_200000210301_100012353650 [1,0,0,0,0,0|3,0,0]=4 284 B11R1.3 CSc1ccc(nc1)N(C)C 27a_100102631434_100009820866 [1,0,0,0,0,0|3,0,0]=4 285 B11R1.3 CSc1ccc(nc1)N(C)C 62a_100011465347_200000210301 [1,0,0,0,0,0|3,0,0]=4 286 B11R1.3 CSc1ccc(nc1)N(C)C 62a_200000210301_100011465347 [1,0,0,0,0,0|3,0,0]=4 287 B11R1.3 CSc1cnc(cn1)C(=O)C 62a_100009883172_200000210301 [1,0,0,0,0,0|3,0,0]=4 288 B11R1.3 CSc1cnc(cn1)C(=O)C 62a_200000210301_100009883172 [1,0,0,0,0,0|3,0,0]=4 289 B11R1.3 CSc1cnc(nc1)C(=O)C 62a_100010077182_200000210301 [1,0,0,0,0,0|3,0,0]=4 290 B11R1.3 CSc1cnc(nc1)C(=O)C 62a_200000210301_100010077182 [1,0,0,0,0,0|3,0,0]=4 291 B11R1.3 CSc1cnc(nc1)C(C)C 62a_200000210301_200009814916 [1,0,0,0,0,0|3,0,0]=4 292 B11R1.3 CSc1cnc(nc1)C(C)C 62a_200009814916_200000210301 [1,0,0,0,0,0|3,0,0]=4 293 B11R1.3 CSc1ncc(cn1)C(=O)C 62a_100000099681_200000210301 [1,0,0,0,0,0|3,0,0]=4 294 B11R1.3 CSc1ncc(cn1)C(=O)C 62a_200000210301_100000099681 [1,0,0,0,0,0|3,0,0]=4 295 B11R1.3 CSc1ncc(cn1)C(C)C 62a_100000102307_200000210301 [1,0,0,0,0,0|3,0,0]=4 296 B11R1.3 CSc1ncc(cn1)C(C)C 62a_200000210301_100000102307 [1,0,0,0,0,0|3,0,0]=4 297 B11R1.3 C[C@@H](N)c1ccc(cc1)S[13CH3] 62a_100000720352_200025704644 [1,0,0,0,0,0|2,0,0]=3 298 B11R1.3 C[C@@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000720352 [1,0,0,0,0,0|2,0,0]=3 299 B11R1.3 C[C@H](N)c1ccc(cc1)O[13CH3] 34a_100161106496_200025704644 [1,0,0,0,0,0|2,0,0]=3 300 B11R1.3 C[C@H](N)c1ccc(cc1)S[13CH3] 62a_100000753911_200025704644 [1,0,0,0,0,0|2,0,0]=3 301 B11R1.3 C[C@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000753911 [1,0,0,0,0,0|2,0,0]=3 302 B11R1.3 C[C@H](N)c1ccc(nc1)S[13CH3] 62a_100015387476_200025704644 [1,0,0,0,0,0|3,0,0]=4 303 B11R1.3 C[C@H](N)c1ccc(nc1)S[13CH3] 62a_200025704644_100015387476 [1,0,0,0,0,0|3,0,0]=4 304 B11R1.3 C[S+](C)c1ccc(cc1)O[13CH3] 34a_100010188728_200025704644 [1,0,0,0,0,0|2,0,0]=3 305 B11R1.3 C[S+](C)c1ccc(cc1)O[13CH3] 7a_100010188728_200025704644 [1,0,0,0,0,0|2,0,0]=3 306 B11R1.3 [13CH3]C(=O)c1ccc(cc1)C#N 1458a_100000210717_200025704644 [1,0,0,0,0,0|1,0,1]=3 307 B11R1.3 [13CH3]C(=O)c1ccc(cc1)CO 1458a_100000183892_200025704644 [1,0,0,0,0,0|1,0,0]=2 308 B11R1.3 [13CH3]Nc1ccc(cc1)C(=O)N 34a_100000210537_200025704644 [1,0,0,0,0,0|2,0,0]=3 309 B11R1.3 [13CH3]Nc1ccc(cc1)C(F)F 34a_100020620101_200025704644 [1,0,0,0,0,0|3,0,0]=4 310 B11R1.3 [13CH3]Nc1ccc(cc1)C(F)F 7a_100020620101_200025704644 [1,0,0,0,0,0|3,0,0]=4 311 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200025704644 [1,0,0,0,0,0|3,0,0]=4 312 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200025704644 [1,0,0,0,0,0|3,0,0]=4 313 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 34a_100000746352_200025704644 [1,0,0,0,0,0|2,0,0]=3 314 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 7a_100000746352_200025704644 [1,0,0,0,0,0|2,0,0]=3 315 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200025704644 [1,0,0,0,0,0|3,0,0]=4 316 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200025704644 [1,0,0,0,0,0|3,0,0]=4 317 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_100000162191_200025704644 [1,0,0,0,0,0|2,0,0]=3 318 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_200025704644_100000162191 [1,0,0,0,0,0|2,0,0]=3 319 B11R1.3 [13CH3]Sc1ccc(cc1)C(F)F 62a_100000687661_200025704644 [1,0,0,0,0,0|3,0,0]=4 320 B11R1.3 [13CH3]Sc1ccc(cc1)C(F)F 62a_200025704644_100000687661 [1,0,0,0,0,0|3,0,0]=4 321 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_100000162237_200025704644 [1,0,0,0,0,0|3,0,0]=4 322 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_200025704644_100000162237 [1,0,0,0,0,0|3,0,0]=4 323 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_100011219284_200025704644 [1,0,0,0,0,0|3,0,0]=4 324 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_200025704644_100011219284 [1,0,0,0,0,0|3,0,0]=4 325 B13R1.120 C=C(C)c1ccc(c(c1)Br)C(=O)N 271570a_100000694244_200010146565 [0,1,0,0,0,0|1,0,2]=4 326 B13R1.120 C=C(C)c1ccc(c(c1)C)C(=O)C 271570a_100000694244_100012360112 [0,1,0,0,0,0|0,0,2]=3 327 B13R1.120 C=C(C)c1ccc(c(c1)C)C(=O)N 271570a_100000694244_100011327924 [0,1,0,0,0,0|1,0,2]=4 328 B13R1.120 C=C(C)c1ccc(c(c1)F)C(=O)C 271570a_100000694244_100000690205 [0,1,0,0,0,0|0,0,2]=3 329 B13R1.120 C=C(C)c1ccc(c(c1)F)C(=O)N 271570a_100000694244_100000216903 [0,1,0,0,0,0|1,0,2]=4 330 B13R1.120 C=C(C)c1ccc(c(c1)F)C(C)N 271570a_100000694244_100000730447 [0,1,0,0,0,0|2,0,0]=3 331 B13R1.120 C=C(C)c1ccc(c(c1)F)C(F)F 271570a_100000694244_100010169825 [0,1,0,0,0,0|3,0,0]=4 332 B13R1.120 C=C(C)c1ccc(c(c1)N)C(=O)C 271570a_100000694244_100011590516 [0,1,0,0,0,0|0,0,2]=3 333 B13R1.120 C=C(C)c1ccc(c(c1)N)C(=O)N 271570a_100000694244_100012349972 [0,1,0,0,0,0|1,0,2]=4 334 B13R1.120 C=C(C)c1ccc(c(c1)N)N(C)C 271570a_100000694244_100000737018 [0,1,0,0,0,0|2,0,0]=3 335 B13R1.120 C=C(C)c1ccc(c(c1)O)C(=O)C 271570a_100000694244_100000188348 [0,1,0,0,0,0|0,0,2]=3 336 B13R1.120 C=C(C)c1ccc(c(c1)O)C(=O)N 271570a_100000694244_100011550861 [0,1,0,0,0,0|1,0,2]=4 337 B13R1.120 C=C(C)c1ccc(cc1Br)C(=O)C 271570a_100000694244_100010146554 [0,1,0,0,0,0|0,0,2]=3 338 B13R1.120 C=C(C)c1ccc(cc1Br)C(=O)N 271570a_100000694244_100009814583 [0,1,0,0,0,0|1,0,2]=4 339 B13R1.120 C=C(C)c1ccc(cc1Br)C(C)C 271570a_100000694244_200010212211 [0,1,0,0,0,0|1,0,0]=2 340 B13R1.120 C=C(C)c1ccc(cc1C)C(=O)C 271570a_100000694244_100000697869 [0,1,0,0,0,0|0,0,2]=3 341 B13R1.120 C=C(C)c1ccc(cc1C)C(=O)N 271570a_100000694244_100011218126 [0,1,0,0,0,0|1,0,2]=4 342 B13R1.120 C=C(C)c1ccc(cc1C)N(C)C 271570a_100000694244_100011934168 [0,1,0,0,0,0|2,0,0]=3 343 B13R1.120 C=C(C)c1ccc(cc1F)C(=O)C 271570a_100000694244_100000690002 [0,1,0,0,0,0|0,0,2]=3 344 B13R1.120 C=C(C)c1ccc(cc1F)C(=O)N 271570a_100000694244_100000686215 [0,1,0,0,0,0|1,0,2]=4 345 B13R1.120 C=C(C)c1ccc(cc1F)C(F)F 271570a_100000694244_100010189893 [0,1,0,0,0,0|3,0,0]=4 346 B13R1.120 C=C(C)c1ccc(cc1F)[C@H](C)N 271570a_100000694244_100134618348 [0,1,0,0,0,0|2,0,0]=3 347 B13R1.120 C=C(C)c1ccc(cc1N)C(=O)C 271570a_100000694244_100009816534 [0,1,0,0,0,0|0,0,2]=3 348 B13R1.120 C=C(C)c1ccc(cc1O)C(=O)N 271570a_100000694244_100012344895 [0,1,0,0,0,0|1,0,2]=4 349 B13R1.120 C=C(C)c1cnc(c(c1)F)C(=O)C 271570a_100000694244_100000696590 [0,1,0,0,0,0|1,0,2]=4 350 B13R1.120 C=C(C)c1cnc(cc1C)C(=O)C 271570a_100000694244_100011011822 [0,1,0,0,0,0|1,0,2]=4 351 B13R1.120 C=C(C)c1cnc(cc1C)C(C)C 271570a_100000694244_100021475462 [0,1,0,0,0,0|2,0,0]=3 352 B13R1.120 C=C(C)c1ncc(cc1C)C(=O)C 271570a_100000694244_100009864263 [0,1,0,0,0,0|1,0,2]=4 353 B13R1.120 CC(=O)c1ccc(c(c1)Br)C(C)C 1458a_100010235942_200000210301 [0,1,0,0,0,0|0,0,0]=1 354 B13R1.120 CC(=O)c1ccc(c(c1)Br)C(F)F 1458a_100010235945_200000210301 [0,1,0,0,0,0|2,0,0]=3 355 B13R1.120 CC(=O)c1ccc(c(c1)C)[N+](=O)[O-] 1458a_100000188653_200000210301 [0,1,0,0,0,0|3,0,0]=4 356 B13R1.120 CC(=O)c1ccc(c(c1)O)[N+](=O)[O-] 1458a_100000195568_200000210301 [0,1,0,0,0,0|3,0,0]=4 357 B13R1.120 CC(=O)c1ccc(cc1Br)[N+](=O)[O-] 1458a_100000758870_200000210301 [0,1,0,0,0,0|3,0,0]=4 358 B13R1.120 CC(=O)c1ccc(cc1C)C(=O)N 1458a_100009913687_200000210301 [0,1,0,0,0,0|2,0,1]=4 359 B13R1.120 CC(=O)c1ccc(cc1C)[N+](=O)[O-] 1458a_100000745847_200000210301 [0,1,0,0,0,0|3,0,0]=4 360 B13R1.120 CC(=O)c1ccc(cc1Cl)[N+](=O)[O-] 1458a_100000188674_200000210301 [0,1,0,0,0,0|3,0,0]=4 361 B13R1.120 CC(=O)c1ccc(cc1F)C(C)C 1458a_100011941423_200000210301 [0,1,0,0,0,0|0,0,0]=1 362 B13R1.120 CC(=O)c1ccc(cc1F)N(C)C 27a_100102631434_100000690205 [0,1,0,0,0,0|1,0,0]=2 363 B13R1.120 CC(=O)c1ccc(cc1F)[N+](=O)[O-] 1458a_100000743136_200000210301 [0,1,0,0,0,0|3,0,0]=4 364 B13R1.120 CC(=O)c1ccc(cc1I)[N+](=O)[O-] 1458a_100000749225_200000210301 [0,1,0,0,0,0|3,0,0]=4 365 B13R1.120 CC(=O)c1ccc(cc1O)N(C)C 1458a_200000073653_200000210301 [0,1,0,0,0,0|1,0,0]=2 366 B13R1.120 CC(=O)c1ccc(cc1O)[N+](=O)[O-] 1458a_100000746214_200000210301 [0,1,0,0,0,0|3,0,0]=4 367 B13R1.120 CC(=O)c1cnc(c(c1)C)N(C)C 27a_100102631434_100009864263 [0,1,0,0,0,0|2,0,0]=3 368 B13R1.120 CC(=O)c1cnc(c(c1)O)C(C)C 271570a_203496583355_100010986958 [0,1,0,0,0,0|1,0,0]=2 369 B13R1.120 CC(C)c1ccc(c(c1)F)C(=O)[13CH3] 1458a_100011941423_200025704644 [0,1,0,0,0,0|0,0,0]=1 370 B13R1.120 CC(C)c1ccc(c(c1)O)B(O)O 271570a_203496583355_200010157546 [0,1,0,0,0,0|2,0,1]=4 371 B13R1.120 CC(C)c1ccc(cc1Br)C(=O)[13CH3] 1458a_100010235942_200025704644 [0,1,0,0,0,0|0,0,0]=1 372 B13R1.120 CN(C)c1ccc(c(c1)Br)C(=O)N 27a_100102631434_200010146565 [0,1,0,0,0,0|2,0,0]=3 373 B13R1.120 CN(C)c1ccc(c(c1)F)C(=O)N 27a_100102631434_100000216903 [0,1,0,0,0,0|2,0,0]=3 374 B13R1.120 CN(C)c1ccc(c(c1)O)C(=O)[13CH3] 1458a_200000073653_200025704644 [0,1,0,0,0,0|1,0,0]=2 375 B13R1.120 CN(C)c1ccc(c(n1)N)C(=O)N 27a_100102631434_100009875182 [0,1,0,0,0,0|3,0,0]=4 376 B13R1.120 CN(C)c1ccc(cc1Br)C(=O)N 27a_100102631434_100009814583 [0,1,0,0,0,0|2,0,0]=3 377 B13R1.120 CN(C)c1ccc(cc1Br)[N+](=O)[O-] 269982a_200011534181_200000210301 [0,1,0,0,0,0|3,0,0]=4 378 B13R1.120 CN(C)c1ccc(cc1F)C(=O)N 27a_100102631434_100000686215 [0,1,0,0,0,0|2,0,0]=3 379 B13R1.120 CN(C)c1ccc(cc1F)[N+](=O)[O-] 269982a_100011248812_200000210301 [0,1,0,0,0,0|3,0,0]=4 380 B13R1.120 CN(C)c1ccc(cc1F)[N+](=O)[O-] 34a_100011248812_200000210301 [0,1,0,0,0,0|3,0,0]=4 381 B13R1.120 CN(C)c1cnc(c(c1)F)C(=O)N 27a_100102631434_200010161073 [0,1,0,0,0,0|3,0,0]=4 382 B13R1.120 CN([13CH3])c1ccc(cc1Br)[N+](=O)[O-] 269982a_200011534181_200025704644 [0,1,0,0,0,0|3,0,0]=4 383 B13R1.120 CN([13CH3])c1ccc(cc1F)[N+](=O)[O-] 269982a_100011248812_200025704644 [0,1,0,0,0,0|3,0,0]=4 384 B13R1.120 CN([13CH3])c1ccc(cc1F)[N+](=O)[O-] 34a_100011248812_200025704644 [0,1,0,0,0,0|3,0,0]=4 385 B13R1.120 Cc1cc(ccc1C(=O)N)N(C)C 27a_100102631434_100011327924 [0,1,0,0,0,0|2,0,0]=3 386 B13R1.120 Cc1cc(ccc1C(=O)[13CH3])C(=O)N 1458a_100009913687_200025704644 [0,1,0,0,0,0|2,0,1]=4 387 B13R1.120 Cc1cc(ccc1C(=O)[13CH3])[N+](=O)[O-] 1458a_100000745847_200025704644 [0,1,0,0,0,0|3,0,0]=4 388 B13R1.120 Cc1cc(ccc1N(C)C)C(=O)N 27a_100102631434_100011218126 [0,1,0,0,0,0|2,0,0]=3 389 B13R1.120 Cc1cc(ccc1N(C)C)[N+](=O)[O-] 2230a_200011219100_200000210301 [0,1,0,0,0,0|3,0,0]=4 390 B13R1.120 Cc1cc(ccc1N(C)C)[N+](=O)[O-] 269982a_200011219100_200000210301 [0,1,0,0,0,0|3,0,0]=4 391 B13R1.120 Cc1cc(ccc1N(C)C)[N+](=O)[O-] 34a_200011219100_200000210301 [0,1,0,0,0,0|3,0,0]=4 392 B13R1.120 Cc1cc(ccc1N(C)[13CH3])[N+](=O)[O-] 2230a_200011219100_200025704644 [0,1,0,0,0,0|3,0,0]=4 393 B13R1.120 Cc1cc(ccc1N(C)[13CH3])[N+](=O)[O-] 269982a_200011219100_200025704644 [0,1,0,0,0,0|3,0,0]=4 394 B13R1.120 Cc1cc(ccc1N(C)[13CH3])[N+](=O)[O-] 34a_200011219100_200025704644 [0,1,0,0,0,0|3,0,0]=4 395 B13R1.120 Cc1cc(ccc1[N+](=O)[O-])C(=O)[13CH3] 1458a_100000188653_200025704644 [0,1,0,0,0,0|3,0,0]=4 396 B13R1.120 Cc1cc(ccc1[N+](=O)[O-])N(C)C 2230a_100000686994_200000210301 [0,1,0,0,0,0|3,0,0]=4 397 B13R1.120 Cc1cc(ccc1[N+](=O)[O-])N(C)C 269982a_100000686994_200000210301 [0,1,0,0,0,0|3,0,0]=4 398 B13R1.120 Cc1cc(ccc1[N+](=O)[O-])N(C)C 34a_100000686994_200000210301 [0,1,0,0,0,0|3,0,0]=4 399 B13R1.120 Cc1cc(ccc1[N+](=O)[O-])N(C)[13CH3] 2230a_100000686994_200025704644 [0,1,0,0,0,0|3,0,0]=4 400 B13R1.120 Cc1cc(ccc1[N+](=O)[O-])N(C)[13CH3] 269982a_100000686994_200025704644 [0,1,0,0,0,0|3,0,0]=4 401 B13R1.120 Cc1cc(ccc1[N+](=O)[O-])N(C)[13CH3] 34a_100000686994_200025704644 [0,1,0,0,0,0|3,0,0]=4 402 B13R1.120 Cc1cc(ncc1C(=O)N)N(C)C 27a_100102631434_200134614278 [0,1,0,0,0,0|3,0,0]=4 403 B13R1.120 Cc1cc(ncc1N(C)C)C(C)C 27a_100102631434_100021475462 [0,1,0,0,0,0|3,0,0]=4 404 B13R1.120 [13CH3]C(=O)c1ccc(c(c1)Br)C(F)F 1458a_100010235945_200025704644 [0,1,0,0,0,0|2,0,0]=3 405 B13R1.120 [13CH3]C(=O)c1ccc(c(c1)O)[N+](=O)[O-] 1458a_100000195568_200025704644 [0,1,0,0,0,0|3,0,0]=4 406 B13R1.120 [13CH3]C(=O)c1ccc(cc1Br)[N+](=O)[O-] 1458a_100000758870_200025704644 [0,1,0,0,0,0|3,0,0]=4 407 B13R1.120 [13CH3]C(=O)c1ccc(cc1Cl)[N+](=O)[O-] 1458a_100000188674_200025704644 [0,1,0,0,0,0|3,0,0]=4 408 B13R1.120 [13CH3]C(=O)c1ccc(cc1F)[N+](=O)[O-] 1458a_100000743136_200025704644 [0,1,0,0,0,0|3,0,0]=4 409 B13R1.120 [13CH3]C(=O)c1ccc(cc1I)[N+](=O)[O-] 1458a_100000749225_200025704644 [0,1,0,0,0,0|3,0,0]=4 410 B13R1.120 [13CH3]C(=O)c1ccc(cc1O)[N+](=O)[O-] 1458a_100000746214_200025704644 [0,1,0,0,0,0|3,0,0]=4 411 B13R1.338 C=C(C)c1ccc(cc1)C(C)(C)C 271570a_100000694244_100011215385 [0,1,0,0,0,0|1,0,0]=2 412 B13R1.338 C=C(C)c1ccc(cc1)C(C)(C)N 271570a_100000694244_100000739617 [0,1,0,0,0,0|1,0,0]=2 413 B13R1.338 C=C(C)c1ccc(cc1)C(C)(C)O 271570a_100000694244_100000753367 [0,1,0,0,0,0|1,0,0]=2 414 B13R1.338 C=C(C)c1ccc(cc1)C(C)(F)F 271570a_100000694244_100009817129 [0,1,0,0,0,0|2,0,0]=3 415 B13R1.338 C=C(C)c1ccc(cc1)C(F)(F)F 271570a_100000694244_100000727837 [0,1,0,0,0,0|3,0,0]=4 416 B13R1.338 C=C(C)c1ccc(cc1)S(=O)(=O)C 271570a_100000694244_100000765142 [0,1,0,0,0,0|1,0,2]=4 417 B13R1.338 C=C(C)c1ccc(cc1)[Si](C)(C)C 271570a_100000694244_100009813420 [0,1,0,0,0,0|1,1,0]=3 418 B13R1.338 C=C(C)c1ccc(cn1)C(C)(C)C 271570a_100000694244_100000686854 [0,1,0,0,0,0|2,0,0]=3 419 B13R1.338 C=C(C)c1ccc(cn1)C(C)(C)O 271570a_100000694244_100010080785 [0,1,0,0,0,0|2,0,0]=3 420 B13R1.338 C=C(C)c1ccc(cn1)C(C)(F)F 271570a_100000694244_100010208559 [0,1,0,0,0,0|3,0,0]=4 421 B13R1.338 C=C(C)c1ccc(nc1)C(C)(C)C 271570a_100000694244_100010245212 [0,1,0,0,0,0|2,0,0]=3 422 B13R1.338 C=C(C)c1ccc(nc1)C(C)(C)O 271570a_100000694244_100010246419 [0,1,0,0,0,0|2,0,0]=3 423 B13R1.338 C=C(C)c1ccc(nc1)[Si](C)(C)C 271570a_100000694244_100010073730 [0,1,0,0,0,0|2,1,0]=4 424 B13R1.338 C=C(C)c1cnc(nc1)C(C)(C)O 271570a_100000694244_100010115376 [0,1,0,0,0,0|3,0,0]=4 425 B13R1.338 CC(=O)c1ccc(cc1)C(C)(C)C 1458a_100000210226_200000210301 [0,1,0,0,0,0|0,0,0]=1 426 B13R1.338 CC(=O)c1ccc(cc1)C(C)(F)F 1458a_100000734349_200000210301 [0,1,0,0,0,0|1,0,0]=2 427 B13R1.338 CC(=O)c1ccc(cc1)C(F)(F)F 1458a_100000184032_200000210301 [0,1,0,0,0,0|2,0,0]=3 428 B13R1.338 CC(=O)c1ccc(cc1)S(=O)(=O)C 1458a_100000185160_200000210301 [0,1,0,0,0,0|2,0,0]=3 429 B13R1.338 CC(=O)c1ccc(cc1)S(=O)(=O)N 1458a_100000176671_200000210301 [0,1,0,0,0,0|3,0,0]=4 430 B13R1.338 CC(=O)c1ccc(cc1)[Si](C)(C)C 1458a_100009908145_200000210301 [0,1,0,0,0,0|0,1,0]=2 431 B13R1.338 CC(=O)c1ccc(cn1)C(F)(F)F 1458a_100000735794_200000210301 [0,1,0,0,0,0|3,0,0]=4 432 B13R1.338 CC(=O)c1ccc(nc1)C(F)(F)F 1458a_100000735789_200000210301 [0,1,0,0,0,0|3,0,0]=4 433 B13R1.338 CC(C)(C)c1ccc(cc1)C(=O)[13CH3] 1458a_100000210226_200025704644 [0,1,0,0,0,0|0,0,0]=1 434 B13R1.338 CC(F)(F)c1ccc(cc1)C(=O)[13CH3] 1458a_100000734349_200025704644 [0,1,0,0,0,0|1,0,0]=2 435 B13R1.338 CN(C)c1ccc(cc1)C(C)(C)C 2230a_100000220326_200000210301 [0,1,0,0,0,0|2,0,0]=3 436 B13R1.338 CN(C)c1ccc(cc1)C(C)(C)C 269982a_100000220326_200000210301 [0,1,0,0,0,0|2,0,0]=3 437 B13R1.338 CN(C)c1ccc(cc1)C(C)(C)C 34a_100000220326_200000210301 [0,1,0,0,0,0|2,0,0]=3 438 B13R1.338 CN(C)c1ccc(cc1)C(C)(C)C 38a_100000220326_200000210301 [0,1,0,0,0,0|2,0,0]=3 439 B13R1.338 CN(C)c1ccc(cc1)C(C)(C)C 7a_100000220326_200000210301 [0,1,0,0,0,0|2,0,0]=3 440 B13R1.338 CN(C)c1ccc(cc1)S(=O)(=O)C 269982a_100000744783_200000210301 [0,1,0,0,0,0|2,0,0]=3 441 B13R1.338 CN(C)c1ccc(cc1)S(=O)(=O)C 34a_100000744783_200000210301 [0,1,0,0,0,0|2,0,0]=3 442 B13R1.338 CN(C)c1ccc(cc1)S(=O)(=O)C 7a_100000744783_200000210301 [0,1,0,0,0,0|2,0,0]=3 443 B13R1.338 CN(C)c1ccc(cn1)S(=O)(=O)C 27a_100102631434_100009816761 [0,1,0,0,0,0|3,0,0]=4 444 B13R1.338 CN([13CH3])c1ccc(cc1)C(C)(C)C 2230a_100000220326_200025704644 [0,1,0,0,0,0|2,0,0]=3 445 B13R1.338 CN([13CH3])c1ccc(cc1)C(C)(C)C 269982a_100000220326_200025704644 [0,1,0,0,0,0|2,0,0]=3 446 B13R1.338 CN([13CH3])c1ccc(cc1)C(C)(C)C 34a_100000220326_200025704644 [0,1,0,0,0,0|2,0,0]=3 447 B13R1.338 CN([13CH3])c1ccc(cc1)C(C)(C)C 38a_100000220326_200025704644 [0,1,0,0,0,0|2,0,0]=3 448 B13R1.338 CN([13CH3])c1ccc(cc1)C(C)(C)C 7a_100000220326_200025704644 [0,1,0,0,0,0|2,0,0]=3 449 B13R1.338 CN([13CH3])c1ccc(cc1)S(=O)(=O)C 269982a_100000744783_200025704644 [0,1,0,0,0,0|2,0,0]=3 450 B13R1.338 CN([13CH3])c1ccc(cc1)S(=O)(=O)C 34a_100000744783_200025704644 [0,1,0,0,0,0|2,0,0]=3 451 B13R1.338 CN([13CH3])c1ccc(cc1)S(=O)(=O)C 7a_100000744783_200025704644 [0,1,0,0,0,0|2,0,0]=3 452 B13R1.338 CS(=O)(=O)c1ccc(cc1)C(=O)[13CH3] 1458a_100000185160_200025704644 [0,1,0,0,0,0|2,0,0]=3 453 B13R1.338 C[Si](C)(C)c1ccc(cc1)C(=O)[13CH3] 1458a_100009908145_200025704644 [0,1,0,0,0,0|0,1,0]=2 454 B13R1.338 [13CH3]C(=O)c1ccc(cc1)C(F)(F)F 1458a_100000184032_200025704644 [0,1,0,0,0,0|2,0,0]=3 455 B13R1.338 [13CH3]C(=O)c1ccc(cc1)S(=O)(=O)N 1458a_100000176671_200025704644 [0,1,0,0,0,0|3,0,0]=4 456 B13R1.338 [13CH3]C(=O)c1ccc(cn1)C(F)(F)F 1458a_100000735794_200025704644 [0,1,0,0,0,0|3,0,0]=4 457 B13R1.338 [13CH3]C(=O)c1ccc(nc1)C(F)(F)F 1458a_100000735789_200025704644 [0,1,0,0,0,0|3,0,0]=4 458 B13R1.537 C=C(C)c1ccc(cc1)C(=O)C#N 271570a_100000694244_100009994572 [0,1,0,0,0,0|0,0,3]=4 459 B13R1.537 C=C(C)c1ccc(cc1)C(=O)C=O 271570a_100000694244_100000725942 [0,1,0,0,0,0|0,0,3]=4 460 B13R1.537 C=C(C)c1ccc(cc1)C(=O)CC 1458a_200009908186_100000210202 [0,1,0,0,0,0|0,0,2]=3 461 B13R1.537 C=C(C)c1ccc(cc1)C(=O)CC 271570a_100000694244_100000211647 [0,1,0,0,0,0|0,0,2]=3 462 B13R1.537 C=C(C)c1ccc(cc1)C(=O)CF 1458a_200009908186_100015361967 [0,1,0,0,0,0|0,0,2]=3 463 B13R1.537 C=C(C)c1ccc(cc1)C(=O)CN 271570a_100000694244_100000017248 [0,1,0,0,0,0|0,0,2]=3 464 B13R1.537 C=C(C)c1ccc(cc1)C(=O)CO 271570a_100000694244_100011219529 [0,1,0,0,0,0|0,0,2]=3 465 B13R1.537 C=C(C)c1ccc(cc1)C(=O)NC 11a_106832991635_200009908186 [0,1,0,0,0,0|0,0,2]=3 466 B13R1.537 C=C(C)c1ccc(cc1)C(=O)NC 1626a_100102657272_200009908186 [0,1,0,0,0,0|0,0,2]=3 467 B13R1.537 C=C(C)c1ccc(cc1)C(=O)NC 240690a_100102657272_200009908186 [0,1,0,0,0,0|0,0,2]=3 468 B13R1.537 C=C(C)c1ccc(cc1)C(=O)NC 271570a_100000694244_100000155074 [0,1,0,0,0,0|0,0,2]=3 469 B13R1.537 C=C(C)c1ccc(cc1)C(=O)NC 527a_100102657272_200009908186 [0,1,0,0,0,0|0,0,2]=3 470 B13R1.537 C=C(C)c1ccc(cc1)C(=O)NN 271570a_100000694244_100000183614 [0,1,0,0,0,0|1,0,2]=4 471 B13R1.537 C=C(C)c1ccc(cc1)C(=O)OC 271570a_100000694244_100000150774 [0,1,0,0,0,0|0,0,2]=3 472 B13R1.537 C=C(C)c1ccc(cc1)C(C)C#N 271570a_100000694244_100000695319 [0,1,0,0,0,0|1,0,1]=3 473 B13R1.537 C=C(C)c1ccc(cc1)C(C)CC 271570a_100000694244_100011221364 [0,1,0,0,0,0|1,0,0]=2 474 B13R1.537 C=C(C)c1ccc(cc1)C(C)NC 271570a_100000694244_100000231103 [0,1,0,0,0,0|1,0,0]=2 475 B13R1.537 C=C(C)c1ccc(cc1)C(C)OC 271570a_100000694244_100010254937 [0,1,0,0,0,0|1,0,0]=2 476 B13R1.537 C=C(C)c1ccc(cc1)C(N)C#N 271570a_100000694244_106722365845 [0,1,0,0,0,0|2,0,1]=4 477 B13R1.537 C=C(C)c1ccc(cc1)C(N)CO 271570a_100000694244_100000734186 [0,1,0,0,0,0|2,0,0]=3 478 B13R1.537 C=C(C)c1ccc(cc1)C(O)CC 271570a_100000694244_100000246506 [0,1,0,0,0,0|2,0,0]=3 479 B13R1.537 C=C(C)c1ccc(cc1)C(O)CN 271570a_100000694244_100020626992 [0,1,0,0,0,0|2,0,0]=3 480 B13R1.537 C=C(C)c1ccc(cc1)C(O)CO 271570a_100000694244_200012355997 [0,1,0,0,0,0|2,0,0]=3 481 B13R1.537 C=C(C)c1ccc(cc1)[C@@H](N)CC 271570a_100000694244_100025736560 [0,1,0,0,0,0|2,0,0]=3 482 B13R1.537 C=C(C)c1ccc(cn1)C(=O)NC 271570a_100000694244_100000159860 [0,1,0,0,0,0|1,0,2]=4 483 B13R1.537 C=C(C)c1ccc(cn1)C(=O)OC 271570a_100000694244_100000733799 [0,1,0,0,0,0|1,0,2]=4 484 B13R1.537 C=C(C)c1ccc(nc1)C(=O)CC 271570a_100000694244_100012351654 [0,1,0,0,0,0|1,0,2]=4 485 B13R1.537 C=C(C)c1ccc(nc1)C(=O)NC 271570a_100000694244_100011781262 [0,1,0,0,0,0|1,0,2]=4 486 B13R1.537 C=C(C)c1ccc(nc1)C(=O)OC 271570a_100000694244_100000690920 [0,1,0,0,0,0|1,0,2]=4 487 B13R1.537 CC(C)c1ccc(cc1)C(=O)CF 1458a_100000210772_100015361967 [0,1,0,0,0,0|0,0,0]=1 488 B13R1.537 CC(C)c1ccc(cc1)C(C)N[13CH3] 2230a_100000181356_200025704644 [0,1,0,0,0,0|1,0,1]=3 489 B13R1.537 CC(C)c1ccc(cc1)C(C)N[13CH3] 34a_100000181356_200025704644 [0,1,0,0,0,0|1,0,1]=3 490 B13R1.537 CC(C)c1ccc(cc1)C(C)S[13CH3] 62a_200000700246_200025704644 [0,1,0,0,0,0|0,1,1]=3 491 B13R1.537 CC(C)c1ccc(cc1)C(C)S[13CH3] 62a_200025704644_200000700246 [0,1,0,0,0,0|0,1,1]=3 492 B13R1.537 CC(C)c1ccc(cc1)N(C)CF 269982a_100000688768_100015361967 [0,1,0,0,0,0|2,0,0]=3 493 B13R1.537 CC(C)c1ccc(cc1)N(C)CF 34a_100000688768_100015361967 [0,1,0,0,0,0|2,0,0]=3 494 B13R1.537 CC(C)c1ccc(cc1)N(C)CF 38a_100000688768_100015361967 [0,1,0,0,0,0|2,0,0]=3 495 B13R1.537 CC(O)c1ccc(cc1)C(=O)CF 1458a_100000076921_100015361967 [0,1,0,0,0,0|1,0,0]=2 496 B13R1.537 CC(O[13CH3])c1ccc(cc1)C(=O)N 7a_200010363529_200025704644 [0,1,0,0,0,0|1,0,0]=2 497 B13R1.537 CC(O[13CH3])c1ccc(cc1)[N+](=O)[O-] 34a_100000246459_200025704644 [0,1,0,0,0,0|2,0,0]=3 498 B13R1.537 CC(O[13CH3])c1ccc(cc1)[N+](=O)[O-] 7a_100000246459_200025704644 [0,1,0,0,0,0|2,0,0]=3 499 B13R1.537 CCC(=O)c1ccc(cc1)C(=O)N 1458a_100000230133_100000210202 [0,1,0,0,0,0|2,0,1]=4 500 B13R1.537 CCC(=O)c1ccc(cc1)C(C)C 1458a_100000210772_100000210202 [0,1,0,0,0,0|0,0,0]=1 501 B13R1.537 CCC(=O)c1ccc(cc1)C(C)O 1458a_100000076921_100000210202 [0,1,0,0,0,0|1,0,0]=2 502 B13R1.537 CCC(=O)c1ccc(cc1)C(F)F 1458a_100011735500_100000210202 [0,1,0,0,0,0|2,0,0]=3 503 B13R1.537 CCC(=O)c1ccc(cc1)N(C)C 1458a_100000210873_100000210202 [0,1,0,0,0,0|1,0,0]=2 504 B13R1.537 CCC(=O)c1ccc(cc1)S(=O)C 1458a_200000217594_100000210202 [0,1,0,0,0,0|2,0,0]=3 505 B13R1.537 CCC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100000210202 [0,1,0,0,0,0|3,0,0]=4 506 B13R1.537 CCC(=O)c1ccc(nc1)C(F)F 1458a_100009846429_100000210202 [0,1,0,0,0,0|3,0,0]=4 507 B13R1.537 CCN(C)c1ccc(cc1)C(=O)O 269956a_100011218868_200000210301 [0,1,0,0,0,0|2,0,0]=3 508 B13R1.537 CCN(C)c1ccc(cc1)C(C)C 2230a_100000688768_100000210202 [0,1,0,0,0,0|2,0,0]=3 509 B13R1.537 CCN(C)c1ccc(cc1)C(C)C 269982a_100000688768_100000204670 [0,1,0,0,0,0|2,0,0]=3 510 B13R1.537 CCN(C)c1ccc(cc1)C(C)C 34a_100000688768_100000210202 [0,1,0,0,0,0|2,0,0]=3 511 B13R1.537 CCN(C)c1ccc(cc1)C(C)C 38a_100000688768_100000204670 [0,1,0,0,0,0|2,0,0]=3 512 B13R1.537 CCN(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100000210202 [0,1,0,0,0,0|3,0,0]=4 513 B13R1.537 CCN(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156571_200000210301 [0,1,0,0,0,0|3,0,0]=4 514 B13R1.537 CCN(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100000204670 [0,1,0,0,0,0|3,0,0]=4 515 B13R1.537 CCN(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156571_200000210301 [0,1,0,0,0,0|3,0,0]=4 516 B13R1.537 CCN(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100000210202 [0,1,0,0,0,0|3,0,0]=4 517 B13R1.537 CCN(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156571_200000210301 [0,1,0,0,0,0|3,0,0]=4 518 B13R1.537 CCN([13CH3])c1ccc(cc1)C(=O)O 269956a_100011218868_200025704644 [0,1,0,0,0,0|2,0,0]=3 519 B13R1.537 CCN([13CH3])c1ccc(cc1)[N+](=O)[O-] 2230a_100000156571_200025704644 [0,1,0,0,0,0|3,0,0]=4 520 B13R1.537 CCN([13CH3])c1ccc(cc1)[N+](=O)[O-] 269982a_100000156571_200025704644 [0,1,0,0,0,0|3,0,0]=4 521 B13R1.537 CCN([13CH3])c1ccc(cc1)[N+](=O)[O-] 34a_100000156571_200025704644 [0,1,0,0,0,0|3,0,0]=4 522 B13R1.537 CN(C)c1ccc(cc1)C(=O)CF 1458a_100000210873_100015361967 [0,1,0,0,0,0|1,0,0]=2 523 B13R1.537 CN(C)c1ccc(cc1)C(=O)NN 27a_100102631434_100000183614 [0,1,0,0,0,0|2,0,0]=3 524 B13R1.537 CN(C)c1ccc(cn1)C(=O)NN 27a_100102631434_100000189807 [0,1,0,0,0,0|3,0,0]=4 525 B13R1.537 CN(CF)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100015361967 [0,1,0,0,0,0|3,0,0]=4 526 B13R1.537 CN(CF)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100015361967 [0,1,0,0,0,0|3,0,0]=4 527 B13R1.537 CNC(=O)c1ccc(cc1)C(=O)C 1458a_100011298788_200000210301 [0,1,0,0,0,0|1,0,1]=3 528 B13R1.537 CNC(=O)c1ccc(cc1)C(=O)N 11a_106832991635_100000230133 [0,1,0,0,0,0|2,0,1]=4 529 B13R1.537 CNC(=O)c1ccc(cc1)C(=O)N 1626a_100102657272_100000230133 [0,1,0,0,0,0|2,0,1]=4 530 B13R1.537 CNC(=O)c1ccc(cc1)C(=O)N 240690a_100102657272_100000230133 [0,1,0,0,0,0|2,0,1]=4 531 B13R1.537 CNC(=O)c1ccc(cc1)C(=O)[13CH3] 1458a_100011298788_200025704644 [0,1,0,0,0,0|1,0,1]=3 532 B13R1.537 CNC(=O)c1ccc(cc1)C(C)C 11a_106832991635_100000210772 [0,1,0,0,0,0|0,0,0]=1 533 B13R1.537 CNC(=O)c1ccc(cc1)C(C)C 1626a_100102657272_100000210772 [0,1,0,0,0,0|0,0,0]=1 534 B13R1.537 CNC(=O)c1ccc(cc1)C(C)C 240690a_100102657272_100000210772 [0,1,0,0,0,0|0,0,0]=1 535 B13R1.537 CNC(=O)c1ccc(cc1)C(C)C 527a_100102657272_100000210772 [0,1,0,0,0,0|0,0,0]=1 536 B13R1.537 CNC(=O)c1ccc(cc1)C(C)O 240690a_100102657272_100000076921 [0,1,0,0,0,0|1,0,0]=2 537 B13R1.537 CNC(=O)c1ccc(cc1)C(F)F 11a_106832991635_100011735500 [0,1,0,0,0,0|2,0,0]=3 538 B13R1.537 CNC(=O)c1ccc(cc1)C(F)F 1626a_100102657272_100011735500 [0,1,0,0,0,0|2,0,0]=3 539 B13R1.537 CNC(=O)c1ccc(cc1)C(F)F 240690a_100102657272_100011735500 [0,1,0,0,0,0|2,0,0]=3 540 B13R1.537 CNC(=O)c1ccc(cc1)C(F)F 527a_100102657272_100011735500 [0,1,0,0,0,0|2,0,0]=3 541 B13R1.537 CNC(=O)c1ccc(cc1)N(C)C 11a_106832991635_100000210873 [0,1,0,0,0,0|1,0,0]=2 542 B13R1.537 CNC(=O)c1ccc(cc1)N(C)C 1626a_100102657272_100000210873 [0,1,0,0,0,0|1,0,0]=2 543 B13R1.537 CNC(=O)c1ccc(cc1)N(C)C 240690a_100102657272_100000210873 [0,1,0,0,0,0|1,0,0]=2 544 B13R1.537 CNC(=O)c1ccc(cc1)N(C)C 27a_100102631434_100000155074 [0,1,0,0,0,0|1,0,0]=2 545 B13R1.537 CNC(=O)c1ccc(cc1)N(C)C 527a_100102657272_100000210873 [0,1,0,0,0,0|1,0,0]=2 546 B13R1.537 CNC(=O)c1ccc(cc1)S(=O)C 1626a_100102657272_200000217594 [0,1,0,0,0,0|2,0,0]=3 547 B13R1.537 CNC(=O)c1ccc(cc1)S(=O)C 240690a_100102657272_200000217594 [0,1,0,0,0,0|2,0,0]=3 548 B13R1.537 CNC(=O)c1ccc(cc1)S(=O)C 527a_100102657272_200000217594 [0,1,0,0,0,0|2,0,0]=3 549 B13R1.537 CNC(=O)c1ccc(cc1)[N+](=O)[O-] 11a_106832991635_100000185811 [0,1,0,0,0,0|3,0,0]=4 550 B13R1.537 CNC(=O)c1ccc(cc1)[N+](=O)[O-] 1626a_100102657272_100000185811 [0,1,0,0,0,0|3,0,0]=4 551 B13R1.537 CNC(=O)c1ccc(cc1)[N+](=O)[O-] 240690a_100102657272_100000185811 [0,1,0,0,0,0|3,0,0]=4 552 B13R1.537 CNC(=O)c1ccc(cc1)[N+](=O)[O-] 527a_100102657272_100000185811 [0,1,0,0,0,0|3,0,0]=4 553 B13R1.537 CNC(=O)c1ccc(cn1)N(C)C 27a_100102631434_100011781262 [0,1,0,0,0,0|2,0,0]=3 554 B13R1.537 CNC(=O)c1ccc(nc1)C(F)F 11a_106832991635_100009846429 [0,1,0,0,0,0|3,0,0]=4 555 B13R1.537 CNC(=O)c1ccc(nc1)C(F)F 1626a_100102657272_100009846429 [0,1,0,0,0,0|3,0,0]=4 556 B13R1.537 CNC(=O)c1ccc(nc1)C(F)F 240690a_100102657272_100009846429 [0,1,0,0,0,0|3,0,0]=4 557 B13R1.537 CNC(=O)c1ccc(nc1)C(F)F 527a_100102657272_100009846429 [0,1,0,0,0,0|3,0,0]=4 558 B13R1.537 CNC(=O)c1ccc(nc1)N(C)C 27a_100102631434_100000159860 [0,1,0,0,0,0|2,0,0]=3 559 B13R1.537 CNC(=O)c1ncc(cn1)N(C)C 27a_100102631434_200010127873 [0,1,0,0,0,0|3,0,0]=4 560 B13R1.537 CNC(C)c1ccc(cc1)C(C)C 2230a_100000181356_200000210301 [0,1,0,0,0,0|1,0,1]=3 561 B13R1.537 CNC(C)c1ccc(cc1)C(C)C 2230a_106832991635_200000700246 [0,1,0,0,0,0|1,0,1]=3 562 B13R1.537 CNC(C)c1ccc(cc1)C(C)C 269862a_106832991636_100000184595 [0,1,0,0,0,0|1,0,1]=3 563 B13R1.537 CNC(C)c1ccc(cc1)C(C)C 34a_100000181356_200000210301 [0,1,0,0,0,0|1,0,1]=3 564 B13R1.537 CNC(C)c1ccc(cc1)C(C)C 7a_106832991635_200000700246 [0,1,0,0,0,0|1,0,1]=3 565 B13R1.537 CNC(C)c1ccc(cc1)C(F)F 269862a_106832991636_100000100969 [0,1,0,0,0,0|2,0,1]=4 566 B13R1.537 CNC(C)c1ccc(cc1)[N+](=O)[O-] 2230a_106832991635_100000684656 [0,1,0,0,0,0|2,0,0]=3 567 B13R1.537 CNC(C)c1ccc(cc1)[N+](=O)[O-] 7a_106832991635_100000684656 [0,1,0,0,0,0|2,0,0]=3 568 B13R1.537 CNC(C)c1ccc(cn1)C(C)C 269862a_106832991636_200009845163 [0,1,0,0,0,0|2,0,1]=4 569 B13R1.537 CNC(C)c1ccc(cn1)C(C)C 270004a_106832991635_200009845163 [0,1,0,0,0,0|2,0,1]=4 570 B13R1.537 CNC(C)c1ccc(nc1)C(C)C 269862a_106832991636_200009848574 [0,1,0,0,0,0|2,0,1]=4 571 B13R1.537 CN[C@@H](C)c1ccc(cc1)C(=O)O 269956a_100020638929_200000210301 [0,1,0,0,0,0|1,0,0]=2 572 B13R1.537 CN[C@@H](C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000008510_200000210301 [0,1,0,0,0,0|2,0,0]=3 573 B13R1.537 COC(=O)c1ccc(cc1)C(=O)C 1458a_100000211811_200000210301 [0,1,0,0,0,0|1,0,1]=3 574 B13R1.537 COC(=O)c1ccc(cc1)C(=O)[13CH3] 1458a_100000211811_200025704644 [0,1,0,0,0,0|1,0,1]=3 575 B13R1.537 COC(=O)c1ccc(cc1)N(C)C 2230a_100000220287_200000210301 [0,1,0,0,0,0|1,0,0]=2 576 B13R1.537 COC(=O)c1ccc(cc1)N(C)C 269982a_100000220287_200000210301 [0,1,0,0,0,0|1,0,0]=2 577 B13R1.537 COC(=O)c1ccc(cc1)N(C)C 34a_100000220287_200000210301 [0,1,0,0,0,0|1,0,0]=2 578 B13R1.537 COC(=O)c1ccc(cc1)N(C)[13CH3] 2230a_100000220287_200025704644 [0,1,0,0,0,0|1,0,0]=2 579 B13R1.537 COC(=O)c1ccc(cc1)N(C)[13CH3] 269982a_100000220287_200025704644 [0,1,0,0,0,0|1,0,0]=2 580 B13R1.537 COC(=O)c1ccc(cc1)N(C)[13CH3] 34a_100000220287_200025704644 [0,1,0,0,0,0|1,0,0]=2 581 B13R1.537 COC(=O)c1ccc(nc1)N(C)C 27a_100102631434_100000733799 [0,1,0,0,0,0|2,0,0]=3 582 B13R1.537 COC(=O)c1ccc(nn1)N(C)C 27a_100102631434_100000738951 [0,1,0,0,0,0|3,0,0]=4 583 B13R1.537 COC(=O)c1cnc(cn1)N(C)C 27a_100102631434_100010219404 [0,1,0,0,0,0|3,0,0]=4 584 B13R1.537 COC(=O)c1cnc(nc1)N(C)C 27a_100102631434_100000729365 [0,1,0,0,0,0|3,0,0]=4 585 B13R1.537 COC(C)c1ccc(cc1)C(=O)N 7a_200010363529_200000210301 [0,1,0,0,0,0|1,0,0]=2 586 B13R1.537 COC(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000246459_200000210301 [0,1,0,0,0,0|2,0,0]=3 587 B13R1.537 COC(C)c1ccc(cc1)[N+](=O)[O-] 7a_100000246459_200000210301 [0,1,0,0,0,0|2,0,0]=3 588 B13R1.537 CS(=O)c1ccc(cc1)C(=O)CF 1458a_200000217594_100015361967 [0,1,0,0,0,0|2,0,0]=3 589 B13R1.537 CSC(C)c1ccc(cc1)C(C)C 62a_200000210301_200000700246 [0,1,0,0,0,0|0,1,1]=3 590 B13R1.537 CSC(C)c1ccc(cc1)C(C)C 62a_200000700246_200000210301 [0,1,0,0,0,0|0,1,1]=3 591 B13R1.537 C[C@H](N[13CH3])c1ccc(cc1)C(=O)O 269956a_100020638929_200025704644 [0,1,0,0,0,0|1,0,0]=2 592 B13R1.537 C[C@H](N[13CH3])c1ccc(cc1)[N+](=O)[O-] 2230a_100000008510_200025704644 [0,1,0,0,0,0|2,0,0]=3 593 B13R1.537 NC(=O)c1ccc(cc1)C(=O)CF 1458a_100000230133_100015361967 [0,1,0,0,0,0|2,0,1]=4 594 B13R1.537 O=C(CF)c1ccc(cc1)C(F)F 1458a_100011735500_100015361967 [0,1,0,0,0,0|2,0,0]=3 595 B13R1.537 O=C(CF)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100015361967 [0,1,0,0,0,0|3,0,0]=4 596 B13R1.537 O=C(CF)c1ccc(nc1)C(F)F 1458a_100009846429_100015361967 [0,1,0,0,0,0|3,0,0]=4 597 B13R2.428 C=C(C)c1ccc(cc1)C2CC2 271570a_100000694244_100009820665 [0,0,0,1,0,0|1,0,0]=2 598 B13R2.428 C=C(C)c1ccc(cc1)C2CC2 271570a_100011220607_100000185454 [0,0,0,1,0,0|1,0,0]=2 599 B13R2.428 C=C(C)c1ccc(cn1)C2CC2 271570a_100000694244_200000118129 [0,0,0,1,0,0|2,0,0]=3 600 B13R2.428 C=C(C)c1ccc(nc1)C2CC2 271570a_100000694244_100009850895 [0,0,0,1,0,0|2,0,0]=3 601 B13R2.428 C=C(C)c1ccc(nn1)C2CC2 271570a_100000694244_100000754422 [0,0,0,1,0,0|3,0,0]=4 602 B13R2.428 C=C(C)c1cnc(cn1)C2CC2 271570a_100000694244_100012002519 [0,0,0,1,0,0|3,0,0]=4 603 B13R2.428 C=C(C)c1cnc(nc1)C2CC2 271570a_100000694244_100009840968 [0,0,0,1,0,0|3,0,0]=4 604 B13R2.428 C=C(C)c1ncc(cn1)C2CC2 271570a_100000694244_100009869053 [0,0,0,1,0,0|3,0,0]=4 605 B13R2.428 CC(=O)c1ccc(cc1)C2CC2 1458a_100011688853_200000210301 [0,0,0,1,0,0|0,0,0]=1 606 B13R2.428 CC(=O)c1ccc(cc1)C2CC2 271570a_100011220607_100000185465 [0,0,0,1,0,0|0,0,0]=1 607 B13R2.428 CC(=O)c1ccc(cn1)C2CC2 271570a_100011220607_100000686046 [0,0,0,1,0,0|1,0,0]=2 608 B13R2.428 CC(=O)c1ccc(nc1)C2CC2 271570a_100011220607_100000684857 [0,0,0,1,0,0|1,0,0]=2 609 B13R2.428 CC(=O)c1cnc(cn1)C2CC2 271570a_100011220607_100009883172 [0,0,0,1,0,0|2,0,0]=3 610 B13R2.428 CC(=O)c1cnc(nc1)C2CC2 271570a_100011220607_100000099681 [0,0,0,1,0,0|2,0,0]=3 611 B13R2.428 CC(=O)c1ncc(cn1)C2CC2 271570a_100011220607_100010077182 [0,0,0,1,0,0|2,0,0]=3 612 B13R2.428 CC(C)c1ccc(cc1)C2CC2 271570a_100011220607_100000750031 [0,0,0,1,0,0|1,0,1]=3 613 B13R2.428 CC(C)c1ccc(cn1)C2CC2 271570a_100011220607_100010255768 [0,0,0,1,0,0|2,0,1]=4 614 B13R2.428 CC(C)c1ccc(nc1)C2CC2 271570a_100011220607_200009815286 [0,0,0,1,0,0|2,0,1]=4 615 B13R2.428 CC(N)c1ccc(cn1)C2CC2 271570a_100011220607_100000723930 [0,0,0,1,0,0|2,0,1]=4 616 B13R2.428 CC(O)c1ccc(cc1)C2CC2 271570a_100011220607_100000745893 [0,0,0,1,0,0|0,0,2]=3 617 B13R2.428 CC(O)c1ccc(cn1)C2CC2 271570a_100011220607_100012353650 [0,0,0,1,0,0|1,0,2]=4 618 B13R2.428 CC(O)c1ccc(nc1)C2CC2 271570a_100011220607_200010274204 [0,0,0,1,0,0|1,0,2]=4 619 B13R2.428 CN(C)c1ccc(cc1)C2CC2 271570a_100011220607_100000210421 [0,0,0,1,0,0|2,0,0]=3 620 B13R2.428 CN(C)c1ccc(cn1)C2CC2 271570a_100011220607_100011465347 [0,0,0,1,0,0|3,0,0]=4 621 B13R2.428 CN(C)c1ccc(nc1)C2CC2 271570a_100011220607_100009992925 [0,0,0,1,0,0|3,0,0]=4 622 B13R2.428 CS(=O)c1ccc(cc1)C2CC2 271570a_100011220607_100009816266 [0,0,0,1,0,0|1,0,0]=2 623 B13R2.428 CS(=O)c1ncc(cn1)C2CC2 271570a_100011220607_100010117237 [0,0,0,1,0,0|3,0,0]=4 624 B13R2.428 C[C@@H](N)c1ccc(cc1)C2CC2 271570a_100011220607_100000720352 [0,0,0,1,0,0|1,0,1]=3 625 B13R2.428 C[C@H](N)c1ccc(cc1)C2CC2 271570a_100011220607_100000753911 [0,0,0,1,0,0|1,0,1]=3 626 B13R2.428 C[C@H](N)c1ccc(nc1)C2CC2 271570a_100011220607_100015387476 [0,0,0,1,0,0|2,0,1]=4 627 B13R2.428 FC(F)c1ccc(cc1)C2CC2 271570a_100011220607_100010189923 [0,0,0,1,0,0|2,0,1]=4 628 B13R2.428 NC(=O)c1ccc(cc1)C2CC2 271570a_100011220607_100000162191 [0,0,0,1,0,0|1,0,0]=2 629 B13R2.428 NC(=O)c1ccc(cn1)C2CC2 271570a_100011220607_100011219284 [0,0,0,1,0,0|2,0,0]=3 630 B13R2.428 NC(=O)c1ccc(nc1)C2CC2 271570a_100011220607_100000162237 [0,0,0,1,0,0|2,0,0]=3 631 B13R2.428 NC(=O)c1ccc(nn1)C2CC2 271570a_100011220607_100000761398 [0,0,0,1,0,0|3,0,0]=4 632 B13R2.428 NC(=O)c1cnc(cn1)C2CC2 271570a_100011220607_100000738300 [0,0,0,1,0,0|3,0,0]=4 633 B13R2.428 NC(=O)c1ncc(cn1)C2CC2 271570a_100011220607_100009996756 [0,0,0,1,0,0|3,0,0]=4 634 B13R2.428 OB(O)c1ccc(cc1)C2CC2 271570a_100011220607_100000754493 [0,0,0,1,0,0|2,0,1]=4 635 B13R2.428 [13CH3]C(=O)c1ccc(cc1)C2CC2 1458a_100011688853_200025704644 [0,0,0,1,0,0|0,0,0]=1 636 B11R1.175 C=C(C)c1cc(cs1)C(=O)C 271570a_100000694244_200012344231 [0,0,0,0,1,0|1,0,2]=4 637 B11R1.175 C=C(C)c1ccc([nH]1)C(=O)C 271570a_100000694244_200010494458 [0,0,0,0,1,0|1,0,2]=4 638 B11R1.175 C=C(C)c1ccc(o1)C(=O)C 271570a_100000694244_100000229899 [0,0,0,0,1,0|1,0,2]=4 639 B11R1.175 C=C(C)c1ccc(s1)C(=O)C 271570a_100000694244_100000183331 [0,0,0,0,1,0|1,0,2]=4 640 B11R1.175 C=C(C)c1ccc(s1)C(C)N 271570a_100000694244_100102723530 [0,0,0,0,1,0|3,0,0]=4 641 B11R1.175 C=C(C)c1ccn(n1)C(C)C 271570a_100000694244_100012351941 [0,0,0,0,1,0|3,0,0]=4 642 B11R1.175 C=C(C)c1cn(cn1)C(C)C 271570a_100000694244_100010368367 [0,0,0,0,1,0|3,0,0]=4 643 B11R1.175 C=C(C)c1cnn(c1)C(C)C 271570a_100000694244_100012073297 [0,0,0,0,1,0|3,0,0]=4 644 B11R1.175 C=C(C)c1csc(c1)C(=O)C 271570a_100000694244_100000718618 [0,0,0,0,1,0|1,0,2]=4 645 B11R1.175 C=C(C)c1csc(c1)C(C)N 271570a_100000694244_100159270200 [0,0,0,0,1,0|3,0,0]=4 646 B11R1.175 C=C(C)c1csc(n1)C(C)C 271570a_100000694244_200011934575 [0,0,0,0,1,0|3,0,0]=4 647 B11R1.175 C=C(C)c1ncc(s1)C(C)C 271570a_100000694244_100000697854 [0,0,0,0,1,0|3,0,0]=4 648 B11R1.175 CC(=O)c1ccc(s1)C(F)F 1458a_100009925260_200000210301 [0,0,0,0,1,0|3,0,0]=4 649 B11R1.175 CC(=O)c1cn(nn1)C(C)C 274090a_100000210206_100000690481 [0,0,0,0,1,0|3,0,0]=4 650 B11R1.175 CC(=O)c1cnc(s1)N(C)C 27a_100102631434_200010173910 [0,0,0,0,1,0|3,0,0]=4 651 B11R1.175 [13CH3]C(=O)c1ccc(s1)C(F)F 1458a_100009925260_200025704644 [0,0,0,0,1,0|3,0,0]=4 652 B13R1.585 C=C(C)c1ccc(cc1)C=C(C)C 271570a_100102525489_100000185454 [0,0,0,0,0,1|1,0,1]=3 653 B13R1.585 C=C(C)c1ccc(cc1)CC(=O)C 271570a_100000694244_100000691760 [0,0,0,0,0,1|0,0,2]=3 654 B13R1.585 C=C(C)c1ccc(cc1)CC(=O)N 271570a_100000694244_100000162331 [0,0,0,0,0,1|1,0,2]=4 655 B13R1.585 C=C(C)c1ccc(cc1)CC(C)C 271570a_100000694244_100011221366 [0,0,0,0,0,1|1,0,0]=2 656 B13R1.585 C=C(C)c1ccc(cc1)CN(C)C 271570a_100000694244_100000174694 [0,0,0,0,0,1|2,0,0]=3 657 B13R1.585 C=C(C)c1ccc(cc1)NC(=O)C 271570a_100000694244_100000155215 [0,0,0,0,0,1|0,0,2]=3 658 B13R1.585 C=C(C)c1ccc(cc1)NC(=O)N 271570a_100000694244_100000198584 [0,0,0,0,0,1|1,0,2]=4 659 B13R1.585 C=C(C)c1ccc(cc1)NC(C)C 271570a_100000694244_100000219625 [0,0,0,0,0,1|1,0,0]=2 660 B13R1.585 C=C(C)c1ccc(cc1)OC(=O)C 271570a_100000694244_100000002173 [0,0,0,0,0,1|0,0,2]=3 661 B13R1.585 C=C(C)c1ccc(cc1)OC(=S)C 271570a_100000694244_200009816735 [0,0,0,0,0,1|0,1,2]=4 662 B13R1.585 C=C(C)c1ccc(cc1)OC(C)C 271570a_100000694244_100000169947 [0,0,0,0,0,1|1,0,0]=2 663 B13R1.585 C=C(C)c1ccc(cc1)OC(C)C 34a_100009880102_100000210206 [0,0,0,0,0,1|1,0,0]=2 664 B13R1.585 C=C(C)c1ccc(cc1)OC(C)C 7a_100009880102_100000210206 [0,0,0,0,0,1|1,0,0]=2 665 B13R1.585 C=C(C)c1ccc(cc1)OC(F)F 271570a_100000694244_100000179047 [0,0,0,0,0,1|3,0,0]=4 666 B13R1.585 C=C(C)c1ccc(cc1)SC(=O)C 271570a_100000694244_200009995050 [0,0,0,0,0,1|0,0,2]=3 667 B13R1.585 C=C(C)c1ccc(cc1)SC(C)C 271570a_100000694244_100009811894 [0,0,0,0,0,1|1,0,0]=2 668 B13R1.585 C=C(C)c1ccc(cc1)SC(C)C 62a_100000185454_100000210206 [0,0,0,0,0,1|1,0,0]=2 669 B13R1.585 C=C(C)c1ccc(cc1)SC(C)C 62a_100000210206_100000185454 [0,0,0,0,0,1|1,0,0]=2 670 B13R1.585 C=C(C)c1ccc(cc1)SC(F)F 271570a_100000694244_100000178776 [0,0,0,0,0,1|3,0,0]=4 671 B13R1.585 C=C(C)c1ccc(cn1)CN(C)C 271570a_100000694244_106446545466 [0,0,0,0,0,1|3,0,0]=4 672 B13R1.585 C=C(C)c1ccc(cn1)NC(=O)C 271570a_100000694244_100011934715 [0,0,0,0,0,1|1,0,2]=4 673 B13R1.585 C=C(C)c1ccc(cn1)OC(C)C 271570a_100000694244_100012354243 [0,0,0,0,0,1|2,0,0]=3 674 B13R1.585 C=C(C)c1ccc(nc1)NC(=O)C 271570a_100000694244_100000193312 [0,0,0,0,0,1|1,0,2]=4 675 B13R1.585 C=C(C)c1ccc(nc1)OC(C)C 271570a_100000694244_100000688564 [0,0,0,0,0,1|2,0,0]=3 676 B13R1.585 C=C(C)c1ccc(nn1)NC(C)C 271570a_100000694244_200011242954 [0,0,0,0,0,1|3,0,0]=4 677 B13R1.585 C=C(C)c1ccc(nn1)OC(C)C 271570a_100000694244_100011211678 [0,0,0,0,0,1|3,0,0]=4 678 B13R1.585 C=C(C)c1cnc(cn1)OC(C)C 271570a_100000694244_200010967586 [0,0,0,0,0,1|3,0,0]=4 679 B13R1.585 C=C(C)c1cnc(nc1)NC(C)C 271570a_100000694244_100011934052 [0,0,0,0,0,1|3,0,0]=4 680 B13R1.585 C=C(C)c1cnc(nc1)OC(C)C 271570a_100000694244_200011939451 [0,0,0,0,0,1|3,0,0]=4 681 B13R1.585 C=C(C)c1cnc(nc1)SC(C)C 271570a_100000694244_200011939557 [0,0,0,0,0,1|3,0,0]=4 682 B13R1.585 CC(=Cc1ccc(cc1)C(=O)N)C 271570a_100102525489_100000162191 [0,0,0,0,0,1|1,0,1]=3 683 B13R1.585 CC(=Cc1ccc(cc1)C(C)C)C 271570a_100102525489_100000750031 [0,0,0,0,0,1|1,0,0]=2 684 B13R1.585 CC(=Cc1ccc(cc1)C(C)O)C 271570a_100102525489_100000745893 [0,0,0,0,0,1|2,0,0]=3 685 B13R1.585 CC(=Cc1ccc(cc1)C(F)F)C 271570a_100102525489_100010189923 [0,0,0,0,0,1|3,0,0]=4 686 B13R1.585 CC(=Cc1ccc(cc1)N(C)C)C 271570a_100102525489_100000210421 [0,0,0,0,0,1|2,0,0]=3 687 B13R1.585 CC(=Cc1ccc(cc1)S(=O)C)C 271570a_100102525489_100009816266 [0,0,0,0,0,1|1,0,1]=3 688 B13R1.585 CC(=Cc1ccc(cc1)[C@@H](C)N)C 271570a_100102525489_100000720352 [0,0,0,0,0,1|2,0,0]=3 689 B13R1.585 CC(=Cc1ccc(cc1)[C@H](C)N)C 271570a_100102525489_100000753911 [0,0,0,0,0,1|2,0,0]=3 690 B13R1.585 CC(=Cc1ccc(cn1)C(=O)N)C 271570a_100102525489_100000162237 [0,0,0,0,0,1|2,0,1]=4 691 B13R1.585 CC(=Cc1ccc(cn1)C(C)C)C 271570a_100102525489_200009815286 [0,0,0,0,0,1|2,0,0]=3 692 B13R1.585 CC(=Cc1ccc(cn1)C(C)O)C 271570a_100102525489_200010274204 [0,0,0,0,0,1|3,0,0]=4 693 B13R1.585 CC(=Cc1ccc(cn1)N(C)C)C 271570a_100102525489_100009992925 [0,0,0,0,0,1|3,0,0]=4 694 B13R1.585 CC(=Cc1ccc(cn1)[C@H](C)N)C 271570a_100102525489_100015387476 [0,0,0,0,0,1|3,0,0]=4 695 B13R1.585 CC(=Cc1ccc(nc1)C(=O)N)C 271570a_100102525489_100011219284 [0,0,0,0,0,1|2,0,1]=4 696 B13R1.585 CC(=Cc1ccc(nc1)C(C)C)C 271570a_100102525489_100010255768 [0,0,0,0,0,1|2,0,0]=3 697 B13R1.585 CC(=Cc1ccc(nc1)C(C)N)C 271570a_100102525489_100000723930 [0,0,0,0,0,1|3,0,0]=4 698 B13R1.585 CC(=Cc1ccc(nc1)C(C)O)C 271570a_100102525489_100012353650 [0,0,0,0,0,1|3,0,0]=4 699 B13R1.585 CC(=Cc1ccc(nc1)N(C)C)C 271570a_100102525489_100011465347 [0,0,0,0,0,1|3,0,0]=4 700 B13R1.585 CC(=Cc1cnc(nc1)C(C)C)C 271570a_100102525489_200009814916 [0,0,0,0,0,1|3,0,0]=4 701 B13R1.585 CC(=Cc1ncc(cn1)C(C)C)C 271570a_100102525489_100000102307 [0,0,0,0,0,1|3,0,0]=4 702 B13R1.585 CC(=O)Cc1ccc(cc1)B(O)O 1458a_100000070787_100009813762 [0,0,0,0,0,1|3,0,0]=4 703 B13R1.585 CC(=O)Cc1ccc(cc1)C(=O)C 1458a_100000070787_100000756337 [0,0,0,0,0,1|1,0,1]=3 704 B13R1.585 CC(=O)Cc1ccc(cc1)C(=O)N 1458a_100000070787_100000231043 [0,0,0,0,0,1|2,0,1]=4 705 B13R1.585 CC(=O)Cc1ccc(cc1)C(C)C 1458a_100000070787_100000181262 [0,0,0,0,0,1|0,0,0]=1 706 B13R1.585 CC(=O)Cc1ccc(cc1)C(C)C 1458a_100000689720_200000210301 [0,0,0,0,0,1|0,0,0]=1 707 B13R1.585 CC(=O)Cc1ccc(cc1)C(F)F 1458a_100000070787_200012343607 [0,0,0,0,0,1|2,0,0]=3 708 B13R1.585 CC(=O)Cc1ccc(cc1)N(C)C 1458a_100011218386_200000210301 [0,0,0,0,0,1|1,0,0]=2 709 B13R1.585 CC(=O)Cc1ccc(cc1)[N+](=O)[O-] 1458a_100000070787_100000181861 [0,0,0,0,0,1|3,0,0]=4 710 B13R1.585 CC(=O)Cc1ccc(cc1)[N+](=O)[O-] 1458a_100000210908_200000210301 [0,0,0,0,0,1|3,0,0]=4 711 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)C 1458a_100000185149_200000210301 [0,0,0,0,0,1|1,0,1]=3 712 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)N 11a_100000210537_100015343762 [0,0,0,0,0,1|2,0,1]=4 713 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)N 1626a_100000210537_100015343762 [0,0,0,0,0,1|2,0,1]=4 714 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)N 22a_100000210537_100000070787 [0,0,0,0,0,1|2,0,1]=4 715 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)N 527a_100000210537_100103153847 [0,0,0,0,0,1|2,0,1]=4 716 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)[13CH3] 1458a_100000185149_200025704644 [0,0,0,0,0,1|1,0,1]=3 717 B13R1.585 CC(=O)Nc1ccc(cc1)C(=S)N 1626a_100000739662_100015343762 [0,0,0,0,0,1|2,0,1]=4 718 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)C 11a_100000210773_100015343762 [0,0,0,0,0,1|0,0,0]=1 719 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)C 1626a_100000210773_100015343762 [0,0,0,0,0,1|0,0,0]=1 720 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)C 22a_100000210773_100000070787 [0,0,0,0,0,1|0,0,0]=1 721 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)C 527a_100000210773_100103153847 [0,0,0,0,0,1|0,0,0]=1 722 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)O 22a_100011216399_100000070787 [0,0,0,0,0,1|1,0,0]=2 723 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)O 527a_100011216399_100103153847 [0,0,0,0,0,1|1,0,0]=2 724 B13R1.585 CC(=O)Nc1ccc(cc1)C(F)F 11a_100020620101_100015343762 [0,0,0,0,0,1|2,0,0]=3 725 B13R1.585 CC(=O)Nc1ccc(cc1)C(F)F 1626a_100020620101_100015343762 [0,0,0,0,0,1|2,0,0]=3 726 B13R1.585 CC(=O)Nc1ccc(cc1)C(F)F 22a_100020620101_100000070787 [0,0,0,0,0,1|2,0,0]=3 727 B13R1.585 CC(=O)Nc1ccc(cc1)C(F)F 527a_100020620101_100103153847 [0,0,0,0,0,1|2,0,0]=3 728 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 11a_100016997997_100015343762 [0,0,0,0,0,1|1,0,0]=2 729 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 1626a_100016997997_100015343762 [0,0,0,0,0,1|1,0,0]=2 730 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 2230a_100000219403_200000210301 [0,0,0,0,0,1|1,0,0]=2 731 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 22a_100016997997_100000070787 [0,0,0,0,0,1|1,0,0]=2 732 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 269982a_100000219403_200000210301 [0,0,0,0,0,1|1,0,0]=2 733 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 34a_100000219403_200000210301 [0,0,0,0,0,1|1,0,0]=2 734 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 38a_100000219403_200000210301 [0,0,0,0,0,1|1,0,0]=2 735 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 527a_100016997997_100103153847 [0,0,0,0,0,1|1,0,0]=2 736 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)[13CH3] 2230a_100000219403_200025704644 [0,0,0,0,0,1|1,0,0]=2 737 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)[13CH3] 269982a_100000219403_200025704644 [0,0,0,0,0,1|1,0,0]=2 738 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)[13CH3] 34a_100000219403_200025704644 [0,0,0,0,0,1|1,0,0]=2 739 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)[13CH3] 38a_100000219403_200025704644 [0,0,0,0,0,1|1,0,0]=2 740 B13R1.585 CC(=O)Nc1ccc(cc1)[N+](=O)[O-] 11a_100015195142_100015343762 [0,0,0,0,0,1|3,0,0]=4 741 B13R1.585 CC(=O)Nc1ccc(cc1)[N+](=O)[O-] 1626a_100015195142_100015343762 [0,0,0,0,0,1|3,0,0]=4 742 B13R1.585 CC(=O)c1ccc(cc1)C=C(C)C 271570a_100102525489_100000185465 [0,0,0,0,0,1|0,0,1]=2 743 B13R1.585 CC(=O)c1ccc(cc1)CC(C)C 1458a_100000185289_200000210301 [0,0,0,0,0,1|0,0,0]=1 744 B13R1.585 CC(=O)c1ccc(cc1)CN(C)C 1458a_100000749272_200000210301 [0,0,0,0,0,1|1,0,0]=2 745 B13R1.585 CC(=O)c1ccc(cc1)CN(C)C 2230a_100102631434_100000756337 [0,0,0,0,0,1|1,0,0]=2 746 B13R1.585 CC(=O)c1ccc(cc1)CN(C)C 269982a_100102631434_100000756337 [0,0,0,0,0,1|1,0,0]=2 747 B13R1.585 CC(=O)c1ccc(cc1)NC(=S)N 1458a_100000010067_200000210301 [0,0,0,0,0,1|2,0,1]=4 748 B13R1.585 CC(=O)c1ccc(cc1)OC(C)C 1458a_100000182917_200000210301 [0,0,0,0,0,1|0,0,0]=1 749 B13R1.585 CC(=O)c1ccc(cc1)OC(C)C 34a_100000185113_100000210206 [0,0,0,0,0,1|0,0,0]=1 750 B13R1.585 CC(=O)c1ccc(cc1)OC(C)C 7a_100000185113_100000210206 [0,0,0,0,0,1|0,0,0]=1 751 B13R1.585 CC(=O)c1ccc(cc1)OC(F)F 1458a_100000183673_200000210301 [0,0,0,0,0,1|2,0,0]=3 752 B13R1.585 CC(=O)c1ccc(cc1)SC(C)C 1458a_100000244970_200000210301 [0,0,0,0,0,1|0,0,0]=1 753 B13R1.585 CC(=O)c1ccc(cc1)SC(C)C 62a_100000185465_100000210206 [0,0,0,0,0,1|0,0,0]=1 754 B13R1.585 CC(=O)c1ccc(cc1)SC(C)C 62a_100000210206_100000185465 [0,0,0,0,0,1|0,0,0]=1 755 B13R1.585 CC(=O)c1ccc(cc1)SC(F)F 1458a_100000735404_200000210301 [0,0,0,0,0,1|2,0,0]=3 756 B13R1.585 CC(=O)c1ccc(cn1)C=C(C)C 271570a_100102525489_100000686046 [0,0,0,0,0,1|1,0,1]=3 757 B13R1.585 CC(=O)c1ccc(cn1)OC(C)C 34a_100012001710_100000210206 [0,0,0,0,0,1|1,0,0]=2 758 B13R1.585 CC(=O)c1ccc(cn1)OC(C)C 7a_100012001710_100000210206 [0,0,0,0,0,1|1,0,0]=2 759 B13R1.585 CC(=O)c1ccc(cn1)SC(C)C 62a_100000210206_100000686046 [0,0,0,0,0,1|1,0,0]=2 760 B13R1.585 CC(=O)c1ccc(cn1)SC(C)C 62a_100000686046_100000210206 [0,0,0,0,0,1|1,0,0]=2 761 B13R1.585 CC(=O)c1ccc(nc1)C=C(C)C 271570a_100102525489_100000684857 [0,0,0,0,0,1|1,0,1]=3 762 B13R1.585 CC(=O)c1ccc(nc1)NC(C)C 27a_100138425928_100000690552 [0,0,0,0,0,1|1,0,0]=2 763 B13R1.585 CC(=O)c1ccc(nc1)OC(F)F 1458a_100009845188_200000210301 [0,0,0,0,0,1|3,0,0]=4 764 B13R1.585 CC(=O)c1ccc(nc1)SC(C)C 62a_100000210206_100000684857 [0,0,0,0,0,1|1,0,0]=2 765 B13R1.585 CC(=O)c1ccc(nc1)SC(C)C 62a_100000684857_100000210206 [0,0,0,0,0,1|1,0,0]=2 766 B13R1.585 CC(=O)c1cnc(cn1)C=C(C)C 271570a_100102525489_100009883172 [0,0,0,0,0,1|2,0,1]=4 767 B13R1.585 CC(=O)c1cnc(cn1)NC(C)C 27a_100138425928_100009883172 [0,0,0,0,0,1|2,0,0]=3 768 B13R1.585 CC(=O)c1cnc(cn1)SC(C)C 62a_100000210206_100009883172 [0,0,0,0,0,1|2,0,0]=3 769 B13R1.585 CC(=O)c1cnc(cn1)SC(C)C 62a_100009883172_100000210206 [0,0,0,0,0,1|2,0,0]=3 770 B13R1.585 CC(=O)c1cnc(nc1)C=C(C)C 271570a_100102525489_100000099681 [0,0,0,0,0,1|2,0,1]=4 771 B13R1.585 CC(=O)c1cnc(nc1)NC(C)C 27a_100138425928_100000099681 [0,0,0,0,0,1|2,0,0]=3 772 B13R1.585 CC(=O)c1cnc(nc1)SC(C)C 62a_100000099681_100000210206 [0,0,0,0,0,1|2,0,0]=3 773 B13R1.585 CC(=O)c1cnc(nc1)SC(C)C 62a_100000210206_100000099681 [0,0,0,0,0,1|2,0,0]=3 774 B13R1.585 CC(=O)c1ncc(cn1)C=C(C)C 271570a_100102525489_100010077182 [0,0,0,0,0,1|2,0,1]=4 775 B13R1.585 CC(=O)c1ncc(cn1)SC(C)C 62a_100000210206_100010077182 [0,0,0,0,0,1|2,0,0]=3 776 B13R1.585 CC(=O)c1ncc(cn1)SC(C)C 62a_100010077182_100000210206 [0,0,0,0,0,1|2,0,0]=3 777 B13R1.585 CC(C)Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000185289_200025704644 [0,0,0,0,0,1|0,0,0]=1 778 B13R1.585 CC(C)Nc1ccc(cc1)C(=O)N 27a_100138425928_100000162191 [0,0,0,0,0,1|1,0,0]=2 779 B13R1.585 CC(C)Nc1ccc(cc1)C(=O)N 34a_100000210537_100000210206 [0,0,0,0,0,1|1,0,0]=2 780 B13R1.585 CC(C)Nc1ccc(cc1)C(C)C 2230a_100000210773_100000210206 [0,0,0,0,0,1|1,0,1]=3 781 B13R1.585 CC(C)Nc1ccc(cc1)C(C)C 34a_100000210773_100000210206 [0,0,0,0,0,1|1,0,1]=3 782 B13R1.585 CC(C)Nc1ccc(cc1)C(C)C 7a_100000210773_100000210206 [0,0,0,0,0,1|1,0,1]=3 783 B13R1.585 CC(C)Nc1ccc(cc1)C(C)O 2230a_100011216399_100000210206 [0,0,0,0,0,1|0,0,2]=3 784 B13R1.585 CC(C)Nc1ccc(cc1)C(C)O 34a_100011216399_100000210206 [0,0,0,0,0,1|0,0,2]=3 785 B13R1.585 CC(C)Nc1ccc(cc1)C(F)F 34a_100020620101_100000210206 [0,0,0,0,0,1|2,0,1]=4 786 B13R1.585 CC(C)Nc1ccc(cc1)C(F)F 7a_100020620101_100000210206 [0,0,0,0,0,1|2,0,1]=4 787 B13R1.585 CC(C)Nc1ccc(cc1)N(C)C 34a_100016997997_100000210206 [0,0,0,0,0,1|2,0,0]=3 788 B13R1.585 CC(C)Nc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000210206 [0,0,0,0,0,1|2,0,0]=3 789 B13R1.585 CC(C)Nc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000210206 [0,0,0,0,0,1|2,0,0]=3 790 B13R1.585 CC(C)Nc1ccc(cn1)C(=O)N 27a_100138425928_100000162237 [0,0,0,0,0,1|2,0,0]=3 791 B13R1.585 CC(C)Nc1ccc(nn1)C(=O)N 27a_100138425928_100000761398 [0,0,0,0,0,1|3,0,0]=4 792 B13R1.585 CC(C)Nc1cnc(cn1)C(=O)N 27a_100138425928_100000738300 [0,0,0,0,0,1|3,0,0]=4 793 B13R1.585 CC(C)Oc1ccc(cc1)C(=O)N 34a_100000746352_100000210206 [0,0,0,0,0,1|1,0,0]=2 794 B13R1.585 CC(C)Oc1ccc(cc1)C(=O)N 7a_100000746352_100000210206 [0,0,0,0,0,1|1,0,0]=2 795 B13R1.585 CC(C)Oc1ccc(cc1)C(=O)[13CH3] 1458a_100000182917_200025704644 [0,0,0,0,0,1|0,0,0]=1 796 B13R1.585 CC(C)Oc1ccc(cc1)C(C)C 34a_100000181308_100000210206 [0,0,0,0,0,1|1,0,1]=3 797 B13R1.585 CC(C)Oc1ccc(cc1)C(C)C 7a_100000181308_100000210206 [0,0,0,0,0,1|1,0,1]=3 798 B13R1.585 CC(C)Oc1ccc(cc1)C(C)O 34a_100000754508_100000210206 [0,0,0,0,0,1|0,0,2]=3 799 B13R1.585 CC(C)Oc1ccc(cc1)C(C)O 7a_100000754508_100000210206 [0,0,0,0,0,1|0,0,2]=3 800 B13R1.585 CC(C)Oc1ccc(cc1)N(C)C 34a_100000718910_100000210206 [0,0,0,0,0,1|2,0,0]=3 801 B13R1.585 CC(C)Oc1ccc(cc1)S(=O)C 34a_200000064373_100000210206 [0,0,0,0,0,1|1,0,0]=2 802 B13R1.585 CC(C)Oc1ccc(cc1)S(=O)C 7a_200000064373_100000210206 [0,0,0,0,0,1|1,0,0]=2 803 B13R1.585 CC(C)Oc1ccc(cc1)[C@H](C)N 34a_100161106496_100000210206 [0,0,0,0,0,1|1,0,1]=3 804 B13R1.585 CC(C)Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000210206 [0,0,0,0,0,1|2,0,0]=3 805 B13R1.585 CC(C)Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000210206 [0,0,0,0,0,1|2,0,0]=3 806 B13R1.585 CC(C)Oc1ccc(cc1)[S+](C)C 34a_100010188728_100000210206 [0,0,0,0,0,1|2,0,0]=3 807 B13R1.585 CC(C)Oc1ccc(cc1)[S+](C)C 7a_100010188728_100000210206 [0,0,0,0,0,1|2,0,0]=3 808 B13R1.585 CC(C)Oc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000210206 [0,0,0,0,0,1|3,0,0]=4 809 B13R1.585 CC(C)Sc1ccc(cc1)B(O)O 62a_100000210206_100000754493 [0,0,0,0,0,1|2,0,1]=4 810 B13R1.585 CC(C)Sc1ccc(cc1)B(O)O 62a_100000754493_100000210206 [0,0,0,0,0,1|2,0,1]=4 811 B13R1.585 CC(C)Sc1ccc(cc1)C(=O)N 62a_100000162191_100000210206 [0,0,0,0,0,1|1,0,0]=2 812 B13R1.585 CC(C)Sc1ccc(cc1)C(=O)N 62a_100000210206_100000162191 [0,0,0,0,0,1|1,0,0]=2 813 B13R1.585 CC(C)Sc1ccc(cc1)C(=O)[13CH3] 1458a_100000244970_200025704644 [0,0,0,0,0,1|0,0,0]=1 814 B13R1.585 CC(C)Sc1ccc(cc1)C(C)C 62a_100000210206_100000750031 [0,0,0,0,0,1|1,0,1]=3 815 B13R1.585 CC(C)Sc1ccc(cc1)C(C)C 62a_100000750031_100000210206 [0,0,0,0,0,1|1,0,1]=3 816 B13R1.585 CC(C)Sc1ccc(cc1)C(C)O 62a_100000210206_100000745893 [0,0,0,0,0,1|0,0,2]=3 817 B13R1.585 CC(C)Sc1ccc(cc1)C(C)O 62a_100000745893_100000210206 [0,0,0,0,0,1|0,0,2]=3 818 B13R1.585 CC(C)Sc1ccc(cc1)C(F)F 62a_100000210206_100000687661 [0,0,0,0,0,1|2,0,1]=4 819 B13R1.585 CC(C)Sc1ccc(cc1)C(F)F 62a_100000687661_100000210206 [0,0,0,0,0,1|2,0,1]=4 820 B13R1.585 CC(C)Sc1ccc(cc1)N(C)C 62a_100000210206_100000210421 [0,0,0,0,0,1|2,0,0]=3 821 B13R1.585 CC(C)Sc1ccc(cc1)N(C)C 62a_100000210421_100000210206 [0,0,0,0,0,1|2,0,0]=3 822 B13R1.585 CC(C)Sc1ccc(cc1)S(=O)C 62a_100009816266_100000210206 [0,0,0,0,0,1|1,0,0]=2 823 B13R1.585 CC(C)Sc1ccc(cc1)[C@@H](C)N 62a_100000210206_100000720352 [0,0,0,0,0,1|1,0,1]=3 824 B13R1.585 CC(C)Sc1ccc(cc1)[C@@H](C)N 62a_100000720352_100000210206 [0,0,0,0,0,1|1,0,1]=3 825 B13R1.585 CC(C)Sc1ccc(cc1)[C@H](C)N 62a_100000210206_100000753911 [0,0,0,0,0,1|1,0,1]=3 826 B13R1.585 CC(C)Sc1ccc(cc1)[C@H](C)N 62a_100000753911_100000210206 [0,0,0,0,0,1|1,0,1]=3 827 B13R1.585 CC(C)Sc1ccc(cn1)C(=O)N 62a_100000162237_100000210206 [0,0,0,0,0,1|2,0,0]=3 828 B13R1.585 CC(C)Sc1ccc(cn1)C(=O)N 62a_100000210206_100000162237 [0,0,0,0,0,1|2,0,0]=3 829 B13R1.585 CC(C)Sc1ccc(cn1)C(C)C 62a_100000210206_200009815286 [0,0,0,0,0,1|2,0,1]=4 830 B13R1.585 CC(C)Sc1ccc(cn1)C(C)C 62a_200009815286_100000210206 [0,0,0,0,0,1|2,0,1]=4 831 B13R1.585 CC(C)Sc1ccc(cn1)C(C)O 62a_100000210206_200010274204 [0,0,0,0,0,1|1,0,2]=4 832 B13R1.585 CC(C)Sc1ccc(cn1)C(C)O 62a_200010274204_100000210206 [0,0,0,0,0,1|1,0,2]=4 833 B13R1.585 CC(C)Sc1ccc(cn1)N(C)C 62a_100000210206_100009992925 [0,0,0,0,0,1|3,0,0]=4 834 B13R1.585 CC(C)Sc1ccc(cn1)N(C)C 62a_100009992925_100000210206 [0,0,0,0,0,1|3,0,0]=4 835 B13R1.585 CC(C)Sc1ccc(cn1)[C@H](C)N 62a_100000210206_100015387476 [0,0,0,0,0,1|2,0,1]=4 836 B13R1.585 CC(C)Sc1ccc(cn1)[C@H](C)N 62a_100015387476_100000210206 [0,0,0,0,0,1|2,0,1]=4 837 B13R1.585 CC(C)Sc1ccc(nc1)C(=O)N 62a_100000210206_100011219284 [0,0,0,0,0,1|2,0,0]=3 838 B13R1.585 CC(C)Sc1ccc(nc1)C(=O)N 62a_100011219284_100000210206 [0,0,0,0,0,1|2,0,0]=3 839 B13R1.585 CC(C)Sc1ccc(nc1)C(C)C 62a_100000210206_100010255768 [0,0,0,0,0,1|2,0,1]=4 840 B13R1.585 CC(C)Sc1ccc(nc1)C(C)C 62a_100010255768_100000210206 [0,0,0,0,0,1|2,0,1]=4 841 B13R1.585 CC(C)Sc1ccc(nc1)C(C)N 62a_100000210206_100000723930 [0,0,0,0,0,1|2,0,1]=4 842 B13R1.585 CC(C)Sc1ccc(nc1)C(C)N 62a_100000723930_100000210206 [0,0,0,0,0,1|2,0,1]=4 843 B13R1.585 CC(C)Sc1ccc(nc1)C(C)O 62a_100000210206_100012353650 [0,0,0,0,0,1|1,0,2]=4 844 B13R1.585 CC(C)Sc1ccc(nc1)C(C)O 62a_100012353650_100000210206 [0,0,0,0,0,1|1,0,2]=4 845 B13R1.585 CC(C)Sc1ccc(nc1)N(C)C 62a_100000210206_100011465347 [0,0,0,0,0,1|3,0,0]=4 846 B13R1.585 CC(C)Sc1ccc(nc1)N(C)C 62a_100011465347_100000210206 [0,0,0,0,0,1|3,0,0]=4 847 B13R1.585 CC(C)Sc1ccc(nn1)C(=O)N 62a_100000210206_100000761398 [0,0,0,0,0,1|3,0,0]=4 848 B13R1.585 CC(C)Sc1ccc(nn1)C(=O)N 62a_100000761398_100000210206 [0,0,0,0,0,1|3,0,0]=4 849 B13R1.585 CC(C)Sc1cnc(cn1)C(=O)N 62a_100000210206_100000738300 [0,0,0,0,0,1|3,0,0]=4 850 B13R1.585 CC(C)Sc1cnc(cn1)C(=O)N 62a_100000738300_100000210206 [0,0,0,0,0,1|3,0,0]=4 851 B13R1.585 CC(C)Sc1cnc(nc1)C(=O)N 62a_100000210206_100009996756 [0,0,0,0,0,1|3,0,0]=4 852 B13R1.585 CC(C)Sc1cnc(nc1)C(=O)N 62a_100009996756_100000210206 [0,0,0,0,0,1|3,0,0]=4 853 B13R1.585 CC(C)Sc1cnc(nc1)S(=O)C 62a_100000210206_100010117237 [0,0,0,0,0,1|3,0,0]=4 854 B13R1.585 CC(C)Sc1cnc(nc1)S(=O)C 62a_100010117237_100000210206 [0,0,0,0,0,1|3,0,0]=4 855 B13R1.585 CC(C)c1ccc(cc1)CC(=O)[13CH3] 1458a_100000689720_200025704644 [0,0,0,0,0,1|0,0,0]=1 856 B13R1.585 CC(C)c1ccc(cc1)CN(C)C 2230a_100102631434_100000181262 [0,0,0,0,0,1|2,0,0]=3 857 B13R1.585 CC(C)c1ccc(cc1)CN(C)C 269982a_100102631434_100000181262 [0,0,0,0,0,1|2,0,0]=3 858 B13R1.585 CC(C)c1ccc(cc1)CN(C)C 270004a_100102631434_100000210693 [0,0,0,0,0,1|2,0,0]=3 859 B13R1.585 CN(C)Cc1ccc(cc1)C(=O)N 2230a_100102631434_100000231043 [0,0,0,0,0,1|2,0,0]=3 860 B13R1.585 CN(C)Cc1ccc(cc1)C(=O)N 269982a_100102631434_100000231043 [0,0,0,0,0,1|2,0,0]=3 861 B13R1.585 CN(C)Cc1ccc(cc1)C(=O)N 270004a_100102631434_100000038677 [0,0,0,0,0,1|2,0,0]=3 862 B13R1.585 CN(C)Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000749272_200025704644 [0,0,0,0,0,1|1,0,0]=2 863 B13R1.585 CN(C)Cc1ccc(cc1)N(C)C 269982a_100000186899_200000210301 [0,0,0,0,0,1|3,0,0]=4 864 B13R1.585 CN(C)Cc1ccc(cc1)N(C)C 270004a_100102631434_100000185837 [0,0,0,0,0,1|3,0,0]=4 865 B13R1.585 CN(C)Cc1ccc(cc1)[N+](=O)[O-] 2230a_100015189985_200000210301 [0,0,0,0,0,1|3,0,0]=4 866 B13R1.585 CN(C)Cc1ccc(cc1)[N+](=O)[O-] 2230a_100102631434_100000181861 [0,0,0,0,0,1|3,0,0]=4 867 B13R1.585 CN(C)Cc1ccc(cc1)[N+](=O)[O-] 269982a_100015189985_200000210301 [0,0,0,0,0,1|3,0,0]=4 868 B13R1.585 CN(C)Cc1ccc(cc1)[N+](=O)[O-] 269982a_100102631434_100000184243 [0,0,0,0,0,1|3,0,0]=4 869 B13R1.585 CN(C)Cc1ccc(cc1)[N+](=O)[O-] 270004a_100102631434_100000189386 [0,0,0,0,0,1|3,0,0]=4 870 B13R1.585 CN(C)c1ccc(cc1)CC(=O)[13CH3] 1458a_100011218386_200025704644 [0,0,0,0,0,1|1,0,0]=2 871 B13R1.585 CN([13CH3])Cc1ccc(cc1)N(C)C 269982a_100000186899_200025704644 [0,0,0,0,0,1|3,0,0]=4 872 B13R1.585 CN([13CH3])Cc1ccc(cc1)[N+](=O)[O-] 2230a_100015189985_200025704644 [0,0,0,0,0,1|3,0,0]=4 873 B13R1.585 CN([13CH3])Cc1ccc(cc1)[N+](=O)[O-] 269982a_100015189985_200025704644 [0,0,0,0,0,1|3,0,0]=4 874 B13R1.585 [13CH3]C(=O)Cc1ccc(cc1)[N+](=O)[O-] 1458a_100000210908_200025704644 [0,0,0,0,0,1|3,0,0]=4 875 B13R1.585 [13CH3]C(=O)c1ccc(cc1)NC(=S)N 1458a_100000010067_200025704644 [0,0,0,0,0,1|2,0,1]=4 876 B13R1.585 [13CH3]C(=O)c1ccc(cc1)OC(F)F 1458a_100000183673_200025704644 [0,0,0,0,0,1|2,0,0]=3 877 B13R1.585 [13CH3]C(=O)c1ccc(cc1)SC(F)F 1458a_100000735404_200025704644 [0,0,0,0,0,1|2,0,0]=3 878 B13R1.585 [13CH3]C(=O)c1ccc(nc1)OC(F)F 1458a_100009845188_200025704644 [0,0,0,0,0,1|3,0,0]=4 879 B10R0.82 CC=C(C)C=CC(=O)C(C)C 1458a_100000692105_100000210206 [1,0,1,0,0,0|1,0,1]=4 880 B10R1.3 C=Cc1ccc(cc1)C=O 271570a_100011290941_100000186029 [2,0,0,0,0,0|0,0,2]=4 881 B10R1.3 C=Cc1ccc(cc1)CC 271570a_100011290941_100011215824 [2,0,0,0,0,0|0,0,1]=3 882 B10R1.3 C=Cc1ccc(cc1)CF 271570a_100011290941_100010268989 [2,0,0,0,0,0|1,0,1]=4 883 B10R1.3 C=Cc1ccc(cc1)CN 271570a_100011290941_100016989417 [2,0,0,0,0,0|1,0,1]=4 884 B10R1.3 C=Cc1ccc(cc1)CO 271570a_100011290941_100000690907 [2,0,0,0,0,0|1,0,1]=4 885 B10R1.3 C=Cc1ccc(cc1)NC 271570a_100011290941_100000219623 [2,0,0,0,0,0|1,0,1]=4 886 B10R1.3 C=Cc1ccc(cc1)NC 34a_100011218248_200000210301 [2,0,0,0,0,0|1,0,1]=4 887 B10R1.3 C=Cc1ccc(cc1)N[13CH3] 34a_100011218248_200025704644 [2,0,0,0,0,0|1,0,1]=4 888 B10R1.3 C=Cc1ccc(cc1)OC 271570a_100011290941_100000171711 [2,0,0,0,0,0|1,0,1]=4 889 B10R1.3 C=Cc1ccc(cc1)OC 34a_100000189437_200000210301 [2,0,0,0,0,0|1,0,1]=4 890 B10R1.3 C=Cc1ccc(cc1)OC 7a_100000189437_200000210301 [2,0,0,0,0,0|1,0,1]=4 891 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 34a_100000189437_200025704644 [2,0,0,0,0,0|1,0,1]=4 892 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 7a_100000189437_200025704644 [2,0,0,0,0,0|1,0,1]=4 893 B10R1.3 C=Cc1ccc(cc1)SC 271570a_100011290941_100011263217 [2,0,0,0,0,0|1,0,1]=4 894 B10R1.3 C=Cc1ccc(cc1)SC 62a_100000748128_200000210301 [2,0,0,0,0,0|1,0,1]=4 895 B10R1.3 C=Cc1ccc(cc1)SC 62a_200000210301_100000748128 [2,0,0,0,0,0|1,0,1]=4 896 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_100000748128_200025704644 [2,0,0,0,0,0|1,0,1]=4 897 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000748128 [2,0,0,0,0,0|1,0,1]=4 898 B10R1.3 C=Cc1ccc(cn1)CC 271570a_100011290941_100009843584 [2,0,0,0,0,0|1,0,1]=4 899 B10R1.3 C=Cc1ccc(nc1)CC 271570a_100011290941_100009820025 [2,0,0,0,0,0|1,0,1]=4 900 B10R1.3 CCc1ccc(cc1)NC 2230a_100000211069_200000210301 [2,0,0,0,0,0|1,0,0]=3 901 B10R1.3 CCc1ccc(cc1)NC 34a_100000211069_200000210301 [2,0,0,0,0,0|1,0,0]=3 902 B10R1.3 CCc1ccc(cc1)N[13CH3] 2230a_100000211069_200025704644 [2,0,0,0,0,0|1,0,0]=3 903 B10R1.3 CCc1ccc(cc1)N[13CH3] 34a_100000211069_200025704644 [2,0,0,0,0,0|1,0,0]=3 904 B10R1.3 CCc1ccc(cc1)OC 34a_100000211359_200000210301 [2,0,0,0,0,0|1,0,0]=3 905 B10R1.3 CCc1ccc(cc1)OC 7a_100000211359_200000210301 [2,0,0,0,0,0|1,0,0]=3 906 B10R1.3 CCc1ccc(cc1)O[13CH3] 34a_100000211359_200025704644 [2,0,0,0,0,0|1,0,0]=3 907 B10R1.3 CCc1ccc(cc1)O[13CH3] 7a_100000211359_200025704644 [2,0,0,0,0,0|1,0,0]=3 908 B10R1.3 CCc1ccc(cc1)SC 62a_100011215824_200000210301 [2,0,0,0,0,0|1,0,0]=3 909 B10R1.3 CCc1ccc(cc1)SC 62a_200000210301_100011215824 [2,0,0,0,0,0|1,0,0]=3 910 B10R1.3 CCc1ccc(cc1)S[13CH3] 62a_100011215824_200025704644 [2,0,0,0,0,0|1,0,0]=3 911 B10R1.3 CCc1ccc(cc1)S[13CH3] 62a_200025704644_100011215824 [2,0,0,0,0,0|1,0,0]=3 912 B10R1.3 CCc1ccc(cn1)SC 62a_100009820025_200000210301 [2,0,0,0,0,0|2,0,0]=4 913 B10R1.3 CCc1ccc(cn1)SC 62a_200000210301_100009820025 [2,0,0,0,0,0|2,0,0]=4 914 B10R1.3 CCc1ccc(cn1)S[13CH3] 62a_100009820025_200025704644 [2,0,0,0,0,0|2,0,0]=4 915 B10R1.3 CCc1ccc(cn1)S[13CH3] 62a_200025704644_100009820025 [2,0,0,0,0,0|2,0,0]=4 916 B10R1.3 CCc1ccc(nc1)SC 62a_100009843584_200000210301 [2,0,0,0,0,0|2,0,0]=4 917 B10R1.3 CCc1ccc(nc1)SC 62a_200000210301_100009843584 [2,0,0,0,0,0|2,0,0]=4 918 B10R1.3 CCc1ccc(nc1)S[13CH3] 62a_100009843584_200025704644 [2,0,0,0,0,0|2,0,0]=4 919 B10R1.3 CCc1ccc(nc1)S[13CH3] 62a_200025704644_100009843584 [2,0,0,0,0,0|2,0,0]=4 920 B10R1.3 CNc1ccc(cc1)CO 2230a_100011215238_200000210301 [2,0,0,0,0,0|2,0,0]=4 921 B10R1.3 CNc1ccc(cc1)CO 34a_100011215238_200000210301 [2,0,0,0,0,0|2,0,0]=4 922 B10R1.3 CNc1ccc(cc1)OC 34a_100000182112_200000210301 [2,0,0,0,0,0|2,0,0]=4 923 B10R1.3 CNc1ccc(cc1)OC 34a_100000184247_200000210301 [2,0,0,0,0,0|2,0,0]=4 924 B10R1.3 CNc1ccc(cc1)O[13CH3] 34a_100000182112_200025704644 [2,0,0,0,0,0|2,0,0]=4 925 B10R1.3 CNc1ccc(cc1)SC 34a_100000212337_200000210301 [2,0,0,0,0,0|2,0,0]=4 926 B10R1.3 CNc1ccc(cc1)SC 62a_100000743151_200000210301 [2,0,0,0,0,0|2,0,0]=4 927 B10R1.3 CNc1ccc(cc1)SC 62a_200000210301_100000743151 [2,0,0,0,0,0|2,0,0]=4 928 B10R1.3 CNc1ccc(cc1)S[13CH3] 62a_100000743151_200025704644 [2,0,0,0,0,0|2,0,0]=4 929 B10R1.3 CNc1ccc(cc1)S[13CH3] 62a_200025704644_100000743151 [2,0,0,0,0,0|2,0,0]=4 930 B10R1.3 COc1ccc(cc1)CN 34a_100000185549_200000210301 [2,0,0,0,0,0|2,0,0]=4 931 B10R1.3 COc1ccc(cc1)CO 34a_100000211755_200000210301 [2,0,0,0,0,0|2,0,0]=4 932 B10R1.3 COc1ccc(cc1)N[13CH3] 34a_100000184247_200025704644 [2,0,0,0,0,0|2,0,0]=4 933 B10R1.3 COc1ccc(cc1)OC 34a_100000210503_200000210301 [2,0,0,0,0,0|2,0,0]=4 934 B10R1.3 COc1ccc(cc1)O[13CH3] 34a_100000210503_200025704644 [2,0,0,0,0,0|2,0,0]=4 935 B10R1.3 COc1ccc(cc1)SC 34a_100000211864_200000210301 [2,0,0,0,0,0|2,0,0]=4 936 B10R1.3 COc1ccc(cc1)SC 62a_200000210301_100000171711 [2,0,0,0,0,0|2,0,0]=4 937 B10R1.3 COc1ccc(cc1)S[13CH3] 62a_200025704644_100000171711 [2,0,0,0,0,0|2,0,0]=4 938 B10R1.3 CSc1ccc(cc1)C=O 62a_100000188517_200000210301 [2,0,0,0,0,0|1,0,0]=3 939 B10R1.3 CSc1ccc(cc1)C=O 62a_200000210301_100000188517 [2,0,0,0,0,0|1,0,0]=3 940 B10R1.3 CSc1ccc(cc1)CF 62a_100010268989_200000210301 [2,0,0,0,0,0|2,0,0]=4 941 B10R1.3 CSc1ccc(cc1)CF 62a_200000210301_100010268989 [2,0,0,0,0,0|2,0,0]=4 942 B10R1.3 CSc1ccc(cc1)CN 62a_100016989417_200000210301 [2,0,0,0,0,0|2,0,0]=4 943 B10R1.3 CSc1ccc(cc1)CN 62a_200000210301_100016989417 [2,0,0,0,0,0|2,0,0]=4 944 B10R1.3 CSc1ccc(cc1)CO 62a_100000690907_200000210301 [2,0,0,0,0,0|2,0,0]=4 945 B10R1.3 CSc1ccc(cc1)CO 62a_200000210301_100000690907 [2,0,0,0,0,0|2,0,0]=4 946 B10R1.3 CSc1ccc(cc1)N[13CH3] 34a_100000212337_200025704644 [2,0,0,0,0,0|2,0,0]=4 947 B10R1.3 CSc1ccc(cc1)O[13CH3] 34a_100000211864_200025704644 [2,0,0,0,0,0|2,0,0]=4 948 B10R1.3 CSc1ccc(cc1)SC 62a_100011263217_200000210301 [2,0,0,0,0,0|2,0,0]=4 949 B10R1.3 CSc1ccc(cc1)SC 62a_200000210301_100011263217 [2,0,0,0,0,0|2,0,0]=4 950 B10R1.3 CSc1ccc(cc1)S[13CH3] 62a_100011263217_200025704644 [2,0,0,0,0,0|2,0,0]=4 951 B10R1.3 CSc1ccc(cc1)S[13CH3] 62a_200025704644_100011263217 [2,0,0,0,0,0|2,0,0]=4 952 B10R1.3 CSc1ccc(cn1)C=O 62a_100000766901_200000210301 [2,0,0,0,0,0|2,0,0]=4 953 B10R1.3 CSc1ccc(cn1)C=O 62a_200000210301_100000766901 [2,0,0,0,0,0|2,0,0]=4 954 B10R1.3 CSc1ccc(nc1)C=O 62a_100000754260_200000210301 [2,0,0,0,0,0|2,0,0]=4 955 B10R1.3 CSc1ccc(nc1)C=O 62a_200000210301_100000754260 [2,0,0,0,0,0|2,0,0]=4 956 B10R1.3 [13CH3]Nc1ccc(cc1)CO 2230a_100011215238_200025704644 [2,0,0,0,0,0|2,0,0]=4 957 B10R1.3 [13CH3]Nc1ccc(cc1)CO 34a_100011215238_200025704644 [2,0,0,0,0,0|2,0,0]=4 958 B10R1.3 [13CH3]Oc1ccc(cc1)CN 34a_100000185549_200025704644 [2,0,0,0,0,0|2,0,0]=4 959 B10R1.3 [13CH3]Oc1ccc(cc1)CO 34a_100000211755_200025704644 [2,0,0,0,0,0|2,0,0]=4 960 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_100000188517_200025704644 [2,0,0,0,0,0|1,0,0]=3 961 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_200025704644_100000188517 [2,0,0,0,0,0|1,0,0]=3 962 B10R1.3 [13CH3]Sc1ccc(cc1)CF 62a_100010268989_200025704644 [2,0,0,0,0,0|2,0,0]=4 963 B10R1.3 [13CH3]Sc1ccc(cc1)CF 62a_200025704644_100010268989 [2,0,0,0,0,0|2,0,0]=4 964 B10R1.3 [13CH3]Sc1ccc(cc1)CN 62a_100016989417_200025704644 [2,0,0,0,0,0|2,0,0]=4 965 B10R1.3 [13CH3]Sc1ccc(cc1)CN 62a_200025704644_100016989417 [2,0,0,0,0,0|2,0,0]=4 966 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_100000690907_200025704644 [2,0,0,0,0,0|2,0,0]=4 967 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_200025704644_100000690907 [2,0,0,0,0,0|2,0,0]=4 968 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_100000766901_200025704644 [2,0,0,0,0,0|2,0,0]=4 969 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_200025704644_100000766901 [2,0,0,0,0,0|2,0,0]=4 970 B10R1.3 [13CH3]Sc1ccc(nc1)C=O 62a_100000754260_200025704644 [2,0,0,0,0,0|2,0,0]=4 971 B10R1.3 [13CH3]Sc1ccc(nc1)C=O 62a_200025704644_100000754260 [2,0,0,0,0,0|2,0,0]=4 972 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [2,0,0,0,0,0|2,0,0]=4 973 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [2,0,0,0,0,0|1,0,0]=3 974 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [2,0,0,0,0,0|2,0,0]=4 975 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [2,0,0,0,0,0|2,0,0]=4 976 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [2,0,0,0,0,0|2,0,0]=4 977 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [2,0,0,0,0,0|2,0,0]=4 978 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [2,0,0,0,0,0|2,0,0]=4 979 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [2,0,0,0,0,0|2,0,0]=4 980 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [2,0,0,0,0,0|2,0,0]=4 981 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [2,0,0,0,0,0|1,0,0]=3 982 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [2,0,0,0,0,0|0,0,0]=2 983 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [2,0,0,0,0,0|1,0,0]=3 984 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [2,0,0,0,0,0|1,0,0]=3 985 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [2,0,0,0,0,0|1,0,0]=3 986 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [2,0,0,0,0,0|1,0,0]=3 987 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [2,0,0,0,0,0|1,0,0]=3 988 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [2,0,0,0,0,0|2,0,0]=4 989 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [2,0,0,0,0,0|2,0,0]=4 990 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [2,0,0,0,0,0|0,0,1]=3 991 B10R1.13 CC(C)c1ccc(cn1)O 271570a_203496583355_100010255768 [2,0,0,0,0,0|1,0,1]=4 992 B10R1.13 CC(C)c1ccc(nc1)O 271570a_203496583355_200009815286 [2,0,0,0,0,0|1,0,1]=4 993 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [2,0,0,0,0,0|1,0,1]=4 994 B10R1.13 CN(C)c1ccc(cc1)Br 2230a_100000219623_200000210301 [2,0,0,0,0,0|2,0,0]=4 995 B10R1.13 CN(C)c1ccc(cc1)Br 269982a_100000219623_200000210301 [2,0,0,0,0,0|2,0,0]=4 996 B10R1.13 CN(C)c1ccc(cc1)Br 34a_100000219623_200000210301 [2,0,0,0,0,0|2,0,0]=4 997 B10R1.13 CN(C)c1ccc(cc1)Cl 2230a_100020629279_200000210301 [2,0,0,0,0,0|2,0,0]=4 998 B10R1.13 CN(C)c1ccc(cc1)Cl 269982a_100020629279_200000210301 [2,0,0,0,0,0|2,0,0]=4 999 B10R1.13 CN(C)c1ccc(cc1)Cl 34a_100020629279_200000210301 [2,0,0,0,0,0|2,0,0]=4 1000 B10R1.13 CN(C)c1ccc(cc1)F 2230a_100000219829_200000210301 [2,0,0,0,0,0|2,0,0]=4 1001 B10R1.13 CN(C)c1ccc(cc1)F 269982a_100000219829_200000210301 [2,0,0,0,0,0|2,0,0]=4 1002 B10R1.13 CN(C)c1ccc(cc1)F 34a_100000219829_200000210301 [2,0,0,0,0,0|2,0,0]=4 1003 B10R1.13 CN(C)c1ccc(cc1)I 2230a_100000743151_200000210301 [2,0,0,0,0,0|2,0,0]=4 1004 B10R1.13 CN(C)c1ccc(cc1)I 269982a_100000743151_200000210301 [2,0,0,0,0,0|2,0,0]=4 1005 B10R1.13 CN(C)c1ccc(cc1)I 34a_100000743151_200000210301 [2,0,0,0,0,0|2,0,0]=4 1006 B10R1.13 CN(C)c1ccc(cc1)O 269982a_100000182112_200000210301 [2,0,0,0,0,0|1,0,1]=4 1007 B10R1.13 CN(C)c1ccc(cc1)O 271570a_203496583355_100000210421 [2,0,0,0,0,0|1,0,1]=4 1008 B10R1.13 CN(C)c1ccc(cc1)O 34a_100000182112_200000210301 [2,0,0,0,0,0|1,0,1]=4 1009 B10R1.13 CN([13CH3])c1ccc(cc1)Br 2230a_100000219623_200025704644 [2,0,0,0,0,0|2,0,0]=4 1010 B10R1.13 CN([13CH3])c1ccc(cc1)Br 269982a_100000219623_200025704644 [2,0,0,0,0,0|2,0,0]=4 1011 B10R1.13 CN([13CH3])c1ccc(cc1)Br 34a_100000219623_200025704644 [2,0,0,0,0,0|2,0,0]=4 1012 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 2230a_100020629279_200025704644 [2,0,0,0,0,0|2,0,0]=4 1013 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 269982a_100020629279_200025704644 [2,0,0,0,0,0|2,0,0]=4 1014 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 34a_100020629279_200025704644 [2,0,0,0,0,0|2,0,0]=4 1015 B10R1.13 CN([13CH3])c1ccc(cc1)F 2230a_100000219829_200025704644 [2,0,0,0,0,0|2,0,0]=4 1016 B10R1.13 CN([13CH3])c1ccc(cc1)F 269982a_100000219829_200025704644 [2,0,0,0,0,0|2,0,0]=4 1017 B10R1.13 CN([13CH3])c1ccc(cc1)F 34a_100000219829_200025704644 [2,0,0,0,0,0|2,0,0]=4 1018 B10R1.13 CN([13CH3])c1ccc(cc1)I 2230a_100000743151_200025704644 [2,0,0,0,0,0|2,0,0]=4 1019 B10R1.13 CN([13CH3])c1ccc(cc1)I 269982a_100000743151_200025704644 [2,0,0,0,0,0|2,0,0]=4 1020 B10R1.13 CN([13CH3])c1ccc(cc1)I 34a_100000743151_200025704644 [2,0,0,0,0,0|2,0,0]=4 1021 B10R1.13 CN([13CH3])c1ccc(cc1)O 269982a_100000182112_200025704644 [2,0,0,0,0,0|1,0,1]=4 1022 B10R1.13 CN([13CH3])c1ccc(cc1)O 34a_100000182112_200025704644 [2,0,0,0,0,0|1,0,1]=4 1023 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [2,0,0,0,0,0|2,0,0]=4 1024 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [2,0,0,0,0,0|1,0,1]=4 1025 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [2,0,0,0,0,0|1,0,1]=4 1026 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [2,0,0,0,0,0|0,0,0]=2 1027 B10R1.13 Cc1ccc(cc1)N(C)C 2230a_100000219977_200000210301 [2,0,0,0,0,0|1,0,0]=3 1028 B10R1.13 Cc1ccc(cc1)N(C)C 269982a_100000219977_200000210301 [2,0,0,0,0,0|1,0,0]=3 1029 B10R1.13 Cc1ccc(cc1)N(C)C 34a_100000219977_200000210301 [2,0,0,0,0,0|1,0,0]=3 1030 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 2230a_100000219977_200025704644 [2,0,0,0,0,0|1,0,0]=3 1031 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 269982a_100000219977_200025704644 [2,0,0,0,0,0|1,0,0]=3 1032 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 34a_100000219977_200025704644 [2,0,0,0,0,0|1,0,0]=3 1033 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [2,0,0,0,0,0|2,0,0]=4 1034 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [2,0,0,0,0,0|1,0,0]=3 1035 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [2,0,0,0,0,0|1,0,0]=3 1036 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [2,0,0,0,0,0|1,0,0]=3 1037 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [2,0,0,0,0,0|1,0,0]=3 1038 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [2,0,0,0,0,0|1,0,0]=3 1039 B12R1.5 C#Cc1ccc(cc1)C(=O)CC 1458a_100011217615_100000210202 [1,1,0,0,0,0|0,0,2]=4 1040 B12R1.5 C#Cc1ccc(cc1)C(=O)CF 1458a_100011217615_100015361967 [1,1,0,0,0,0|0,0,2]=4 1041 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 11a_106832991635_100011217615 [1,1,0,0,0,0|0,0,2]=4 1042 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 1626a_100102657272_100011217615 [1,1,0,0,0,0|0,0,2]=4 1043 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 240690a_100102657272_100011217615 [1,1,0,0,0,0|0,0,2]=4 1044 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 527a_100102657272_100011217615 [1,1,0,0,0,0|0,0,2]=4 1045 B12R1.5 C=Cc1ccc(cc1)C(=O)CC 1458a_100000687532_100000210202 [1,1,0,0,0,0|0,0,2]=4 1046 B12R1.5 C=Cc1ccc(cc1)C(=O)CC 271570a_100011290941_100000211647 [1,1,0,0,0,0|0,0,2]=4 1047 B12R1.5 C=Cc1ccc(cc1)C(=O)CF 1458a_100000687532_100015361967 [1,1,0,0,0,0|0,0,2]=4 1048 B12R1.5 C=Cc1ccc(cc1)C(=O)CN 271570a_100011290941_100000017248 [1,1,0,0,0,0|0,0,2]=4 1049 B12R1.5 C=Cc1ccc(cc1)C(=O)CO 271570a_100011290941_100011219529 [1,1,0,0,0,0|0,0,2]=4 1050 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 11a_106832991635_100000687532 [1,1,0,0,0,0|0,0,2]=4 1051 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 1626a_100102657272_100000687532 [1,1,0,0,0,0|0,0,2]=4 1052 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 240690a_100102657272_100000687532 [1,1,0,0,0,0|0,0,2]=4 1053 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 271570a_100011290941_100000155074 [1,1,0,0,0,0|0,0,2]=4 1054 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 527a_100102657272_100000687532 [1,1,0,0,0,0|0,0,2]=4 1055 B12R1.5 C=Cc1ccc(cc1)C(=O)OC 271570a_100011290941_100000150774 [1,1,0,0,0,0|0,0,2]=4 1056 B12R1.5 C=Cc1ccc(cc1)C(C)C#N 271570a_100011290941_100000695319 [1,1,0,0,0,0|0,0,2]=4 1057 B12R1.5 C=Cc1ccc(cc1)C(C)CC 271570a_100011290941_100011221364 [1,1,0,0,0,0|0,0,1]=3 1058 B12R1.5 C=Cc1ccc(cc1)C(C)NC 2230a_200012023546_200000210301 [1,1,0,0,0,0|0,0,1]=3 1059 B12R1.5 C=Cc1ccc(cc1)C(C)NC 271570a_100011290941_100000231103 [1,1,0,0,0,0|0,0,1]=3 1060 B12R1.5 C=Cc1ccc(cc1)C(C)NC 34a_200012023546_200000210301 [1,1,0,0,0,0|0,0,1]=3 1061 B12R1.5 C=Cc1ccc(cc1)C(C)N[13CH3] 2230a_200012023546_200025704644 [1,1,0,0,0,0|0,0,1]=3 1062 B12R1.5 C=Cc1ccc(cc1)C(C)N[13CH3] 34a_200012023546_200025704644 [1,1,0,0,0,0|0,0,1]=3 1063 B12R1.5 C=Cc1ccc(cc1)C(C)OC 271570a_100011290941_100010254937 [1,1,0,0,0,0|0,0,1]=3 1064 B12R1.5 C=Cc1ccc(cc1)C(N)CO 271570a_100011290941_100000734186 [1,1,0,0,0,0|1,0,1]=4 1065 B12R1.5 C=Cc1ccc(cc1)C(O)CC 271570a_100011290941_100000246506 [1,1,0,0,0,0|1,0,1]=4 1066 B12R1.5 C=Cc1ccc(cc1)C(O)CN 271570a_100011290941_100020626992 [1,1,0,0,0,0|1,0,1]=4 1067 B12R1.5 C=Cc1ccc(cc1)C(O)CO 271570a_100011290941_200012355997 [1,1,0,0,0,0|1,0,1]=4 1068 B12R1.5 C=Cc1ccc(cc1)[C@@H](N)CC 271570a_100011290941_100025736560 [1,1,0,0,0,0|1,0,1]=4 1069 B12R1.5 CC(=NO)c1ccc(cc1)O[13CH3] 34a_100000164205_200025704644 [1,1,0,0,0,0|1,0,1]=4 1070 B12R1.5 CC(C#N)c1ccc(cc1)N[13CH3] 34a_100000069498_200025704644 [1,1,0,0,0,0|1,0,1]=4 1071 B12R1.5 CC(C#N)c1ccc(cc1)N[13CH3] 7a_100000069498_200025704644 [1,1,0,0,0,0|1,0,1]=4 1072 B12R1.5 CC(C#N)c1ccc(cc1)S[13CH3] 62a_100000695319_200025704644 [1,1,0,0,0,0|1,0,1]=4 1073 B12R1.5 CC(C#N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000695319 [1,1,0,0,0,0|1,0,1]=4 1074 B12R1.5 CC(CN)c1ccc(cc1)O[13CH3] 34a_200015188644_200025704644 [1,1,0,0,0,0|1,0,0]=3 1075 B12R1.5 CC(O[13CH3])c1ccc(cc1)CN 34a_200000048501_200025704644 [1,1,0,0,0,0|1,0,1]=4 1076 B12R1.5 CCC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000210202 [1,1,0,0,0,0|1,0,1]=4 1077 B12R1.5 CCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000210202 [1,1,0,0,0,0|0,0,0]=2 1078 B12R1.5 CCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210202 [1,1,0,0,0,0|1,0,0]=3 1079 B12R1.5 CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210202 [1,1,0,0,0,0|1,0,0]=3 1080 B12R1.5 CCC(=O)c1ccc(cc1)OC 34a_100000212119_200000210301 [1,1,0,0,0,0|1,0,0]=3 1081 B12R1.5 CCC(=O)c1ccc(cc1)OC 7a_100000212119_200000210301 [1,1,0,0,0,0|1,0,0]=3 1082 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 34a_100000212119_200025704644 [1,1,0,0,0,0|1,0,0]=3 1083 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 7a_100000212119_200025704644 [1,1,0,0,0,0|1,0,0]=3 1084 B12R1.5 CCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000210202 [1,1,0,0,0,0|1,0,0]=3 1085 B12R1.5 CCC(=O)c1ccc(cc1)SC 62a_100000211647_200000210301 [1,1,0,0,0,0|1,0,0]=3 1086 B12R1.5 CCC(=O)c1ccc(cc1)SC 62a_200000210301_100000211647 [1,1,0,0,0,0|1,0,0]=3 1087 B12R1.5 CCC(=O)c1ccc(cc1)S[13CH3] 62a_100000211647_200025704644 [1,1,0,0,0,0|1,0,0]=3 1088 B12R1.5 CCC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000211647 [1,1,0,0,0,0|1,0,0]=3 1089 B12R1.5 CCC(=O)c1ccc(cn1)SC 62a_100012351654_200000210301 [1,1,0,0,0,0|2,0,0]=4 1090 B12R1.5 CCC(=O)c1ccc(cn1)SC 62a_200000210301_100012351654 [1,1,0,0,0,0|2,0,0]=4 1091 B12R1.5 CCC(=O)c1ccc(cn1)S[13CH3] 62a_100012351654_200025704644 [1,1,0,0,0,0|2,0,0]=4 1092 B12R1.5 CCC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100012351654 [1,1,0,0,0,0|2,0,0]=4 1093 B12R1.5 CCC(C)c1ccc(cc1)NC 2230a_100000211316_200000210301 [1,1,0,0,0,0|1,0,0]=3 1094 B12R1.5 CCC(C)c1ccc(cc1)NC 34a_100000211316_200000210301 [1,1,0,0,0,0|1,0,0]=3 1095 B12R1.5 CCC(C)c1ccc(cc1)NC 7a_100000211316_200000210301 [1,1,0,0,0,0|1,0,0]=3 1096 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 2230a_100000211316_200025704644 [1,1,0,0,0,0|1,0,0]=3 1097 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 34a_100000211316_200025704644 [1,1,0,0,0,0|1,0,0]=3 1098 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 7a_100000211316_200025704644 [1,1,0,0,0,0|1,0,0]=3 1099 B12R1.5 CCC(C)c1ccc(cc1)OC 34a_100000211540_200000210301 [1,1,0,0,0,0|1,0,0]=3 1100 B12R1.5 CCC(C)c1ccc(cc1)OC 7a_100000211540_200000210301 [1,1,0,0,0,0|1,0,0]=3 1101 B12R1.5 CCC(C)c1ccc(cc1)O[13CH3] 34a_100000211540_200025704644 [1,1,0,0,0,0|1,0,0]=3 1102 B12R1.5 CCC(C)c1ccc(cc1)O[13CH3] 7a_100000211540_200025704644 [1,1,0,0,0,0|1,0,0]=3 1103 B12R1.5 CCC(C)c1ccc(cc1)SC 62a_100011221364_200000210301 [1,1,0,0,0,0|1,0,0]=3 1104 B12R1.5 CCC(C)c1ccc(cc1)SC 62a_200000210301_100011221364 [1,1,0,0,0,0|1,0,0]=3 1105 B12R1.5 CCC(C)c1ccc(cc1)S[13CH3] 62a_100011221364_200025704644 [1,1,0,0,0,0|1,0,0]=3 1106 B12R1.5 CCC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100011221364 [1,1,0,0,0,0|1,0,0]=3 1107 B12R1.5 CCC(N)c1ccc(cc1)OC 34a_100015187210_200000210301 [1,1,0,0,0,0|2,0,0]=4 1108 B12R1.5 CCC(N)c1ccc(cc1)O[13CH3] 34a_100015187210_200025704644 [1,1,0,0,0,0|2,0,0]=4 1109 B12R1.5 CCC(O)c1ccc(cc1)SC 62a_100000246506_200000210301 [1,1,0,0,0,0|2,0,0]=4 1110 B12R1.5 CCC(O)c1ccc(cc1)SC 62a_200000210301_100000246506 [1,1,0,0,0,0|2,0,0]=4 1111 B12R1.5 CCC(O)c1ccc(cc1)S[13CH3] 62a_100000246506_200025704644 [1,1,0,0,0,0|2,0,0]=4 1112 B12R1.5 CCC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000246506 [1,1,0,0,0,0|2,0,0]=4 1113 B12R1.5 CCN(C)c1ccc(cc1)OC 2230a_100000220023_100000210202 [1,1,0,0,0,0|2,0,0]=4 1114 B12R1.5 CCN(C)c1ccc(cc1)OC 269982a_100000220023_100000204670 [1,1,0,0,0,0|2,0,0]=4 1115 B12R1.5 CCN(C)c1ccc(cc1)OC 34a_100000220023_100000210202 [1,1,0,0,0,0|2,0,0]=4 1116 B12R1.5 CC[C@H](N)c1ccc(cc1)SC 62a_100025736560_200000210301 [1,1,0,0,0,0|2,0,0]=4 1117 B12R1.5 CC[C@H](N)c1ccc(cc1)SC 62a_200000210301_100025736560 [1,1,0,0,0,0|2,0,0]=4 1118 B12R1.5 CC[C@H](N)c1ccc(cc1)S[13CH3] 62a_100025736560_200025704644 [1,1,0,0,0,0|2,0,0]=4 1119 B12R1.5 CC[C@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100025736560 [1,1,0,0,0,0|2,0,0]=4 1120 B12R1.5 CCc1ccc(cc1)C(=O)CF 1458a_100000211226_100015361967 [1,1,0,0,0,0|0,0,0]=2 1121 B12R1.5 CCc1ccc(cc1)C(=O)NC 11a_106832991635_100000211226 [1,1,0,0,0,0|0,0,0]=2 1122 B12R1.5 CCc1ccc(cc1)C(=O)NC 1626a_100102657272_100000211226 [1,1,0,0,0,0|0,0,0]=2 1123 B12R1.5 CCc1ccc(cc1)C(=O)NC 240690a_100102657272_100000211226 [1,1,0,0,0,0|0,0,0]=2 1124 B12R1.5 CCc1ccc(cc1)C(=O)NC 527a_100102657272_100000211226 [1,1,0,0,0,0|0,0,0]=2 1125 B12R1.5 CCc1ccc(cc1)C(C)NC 2230a_100015186439_200000210301 [1,1,0,0,0,0|0,0,1]=3 1126 B12R1.5 CCc1ccc(cc1)C(C)NC 269862a_106832991636_100000211630 [1,1,0,0,0,0|0,0,1]=3 1127 B12R1.5 CCc1ccc(cc1)C(C)NC 34a_100015186439_200000210301 [1,1,0,0,0,0|0,0,1]=3 1128 B12R1.5 CCc1ccc(cc1)C(C)N[13CH3] 2230a_100015186439_200025704644 [1,1,0,0,0,0|0,0,1]=3 1129 B12R1.5 CCc1ccc(cc1)C(C)N[13CH3] 34a_100015186439_200025704644 [1,1,0,0,0,0|0,0,1]=3 1130 B12R1.5 CCc1ccc(cc1)C(C)OC 34a_100011232672_200000210301 [1,1,0,0,0,0|0,0,1]=3 1131 B12R1.5 CCc1ccc(cc1)C(C)OC 7a_100011232672_200000210301 [1,1,0,0,0,0|0,0,1]=3 1132 B12R1.5 CCc1ccc(cc1)C(C)O[13CH3] 34a_100011232672_200025704644 [1,1,0,0,0,0|0,0,1]=3 1133 B12R1.5 CCc1ccc(cc1)C(C)O[13CH3] 7a_100011232672_200025704644 [1,1,0,0,0,0|0,0,1]=3 1134 B12R1.5 CNC(=O)c1ccc(cc1)C#N 11a_106832991635_100000210717 [1,1,0,0,0,0|1,0,1]=4 1135 B12R1.5 CNC(=O)c1ccc(cc1)C#N 1626a_100102657272_100000210717 [1,1,0,0,0,0|1,0,1]=4 1136 B12R1.5 CNC(=O)c1ccc(cc1)C#N 240690a_100102657272_100000210717 [1,1,0,0,0,0|1,0,1]=4 1137 B12R1.5 CNC(=O)c1ccc(cc1)C#N 527a_100102657272_100000210717 [1,1,0,0,0,0|1,0,1]=4 1138 B12R1.5 CNC(=O)c1ccc(cc1)CO 1626a_100102657272_100000183892 [1,1,0,0,0,0|1,0,0]=3 1139 B12R1.5 CNC(=O)c1ccc(cc1)CO 240690a_100102657272_100000183892 [1,1,0,0,0,0|1,0,0]=3 1140 B12R1.5 CNC(=O)c1ccc(cc1)NC 2230a_100000184841_200000210301 [1,1,0,0,0,0|1,0,0]=3 1141 B12R1.5 CNC(=O)c1ccc(cc1)NC 27a_100102657272_100000155074 [1,1,0,0,0,0|1,0,0]=3 1142 B12R1.5 CNC(=O)c1ccc(cc1)NC 34a_100000184841_200000210301 [1,1,0,0,0,0|1,0,0]=3 1143 B12R1.5 CNC(=O)c1ccc(cc1)N[13CH3] 2230a_100000184841_200025704644 [1,1,0,0,0,0|1,0,0]=3 1144 B12R1.5 CNC(=O)c1ccc(cc1)N[13CH3] 34a_100000184841_200025704644 [1,1,0,0,0,0|1,0,0]=3 1145 B12R1.5 CNC(=O)c1ccc(cc1)OC 11a_106832991635_100000184203 [1,1,0,0,0,0|1,0,0]=3 1146 B12R1.5 CNC(=O)c1ccc(cc1)OC 1626a_100102657272_100000184203 [1,1,0,0,0,0|1,0,0]=3 1147 B12R1.5 CNC(=O)c1ccc(cc1)OC 240690a_100102657272_100000184203 [1,1,0,0,0,0|1,0,0]=3 1148 B12R1.5 CNC(=O)c1ccc(cc1)OC 34a_100000192141_200000210301 [1,1,0,0,0,0|1,0,0]=3 1149 B12R1.5 CNC(=O)c1ccc(cc1)OC 527a_100102657272_100000184203 [1,1,0,0,0,0|1,0,0]=3 1150 B12R1.5 CNC(=O)c1ccc(cc1)OC 7a_100000192141_200000210301 [1,1,0,0,0,0|1,0,0]=3 1151 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 34a_100000192141_200025704644 [1,1,0,0,0,0|1,0,0]=3 1152 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 7a_100000192141_200025704644 [1,1,0,0,0,0|1,0,0]=3 1153 B12R1.5 CNC(=O)c1ccc(cc1)SC 11a_106832991635_100000189692 [1,1,0,0,0,0|1,0,0]=3 1154 B12R1.5 CNC(=O)c1ccc(cc1)SC 1626a_100102657272_100000189692 [1,1,0,0,0,0|1,0,0]=3 1155 B12R1.5 CNC(=O)c1ccc(cc1)SC 240690a_100102657272_100000189692 [1,1,0,0,0,0|1,0,0]=3 1156 B12R1.5 CNC(=O)c1ccc(cc1)SC 527a_100102657272_100000189692 [1,1,0,0,0,0|1,0,0]=3 1157 B12R1.5 CNC(=O)c1ccc(cc1)SC 62a_100000155074_200000210301 [1,1,0,0,0,0|1,0,0]=3 1158 B12R1.5 CNC(=O)c1ccc(cc1)SC 62a_200000210301_100000155074 [1,1,0,0,0,0|1,0,0]=3 1159 B12R1.5 CNC(=O)c1ccc(cc1)S[13CH3] 62a_100000155074_200025704644 [1,1,0,0,0,0|1,0,0]=3 1160 B12R1.5 CNC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000155074 [1,1,0,0,0,0|1,0,0]=3 1161 B12R1.5 CNC(=O)c1ccc(cn1)NC 27a_100102657272_100011781262 [1,1,0,0,0,0|2,0,0]=4 1162 B12R1.5 CNC(=O)c1ccc(cn1)OC 34a_100009861314_200000210301 [1,1,0,0,0,0|2,0,0]=4 1163 B12R1.5 CNC(=O)c1ccc(cn1)OC 7a_100009861314_200000210301 [1,1,0,0,0,0|2,0,0]=4 1164 B12R1.5 CNC(=O)c1ccc(cn1)O[13CH3] 34a_100009861314_200025704644 [1,1,0,0,0,0|2,0,0]=4 1165 B12R1.5 CNC(=O)c1ccc(cn1)O[13CH3] 7a_100009861314_200025704644 [1,1,0,0,0,0|2,0,0]=4 1166 B12R1.5 CNC(=O)c1ccc(cn1)SC 62a_100011781262_200000210301 [1,1,0,0,0,0|2,0,0]=4 1167 B12R1.5 CNC(=O)c1ccc(cn1)SC 62a_200000210301_100011781262 [1,1,0,0,0,0|2,0,0]=4 1168 B12R1.5 CNC(=O)c1ccc(cn1)S[13CH3] 62a_100011781262_200025704644 [1,1,0,0,0,0|2,0,0]=4 1169 B12R1.5 CNC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100011781262 [1,1,0,0,0,0|2,0,0]=4 1170 B12R1.5 CNC(=O)c1ccc(nc1)NC 27a_100102657272_100000159860 [1,1,0,0,0,0|2,0,0]=4 1171 B12R1.5 CNC(=O)c1ccc(nc1)SC 62a_100000159860_200000210301 [1,1,0,0,0,0|2,0,0]=4 1172 B12R1.5 CNC(=O)c1ccc(nc1)SC 62a_200000210301_100000159860 [1,1,0,0,0,0|2,0,0]=4 1173 B12R1.5 CNC(=O)c1ccc(nc1)S[13CH3] 62a_100000159860_200025704644 [1,1,0,0,0,0|2,0,0]=4 1174 B12R1.5 CNC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000159860 [1,1,0,0,0,0|2,0,0]=4 1175 B12R1.5 CNC(C)c1ccc(cc1)C#N 269862a_106832991636_100000182420 [1,1,0,0,0,0|1,0,1]=4 1176 B12R1.5 CNC(C)c1ccc(cc1)CO 269862a_106832991636_100000082505 [1,1,0,0,0,0|0,0,2]=4 1177 B12R1.5 CNC(C)c1ccc(cc1)OC 269862a_106832991636_100000169859 [1,1,0,0,0,0|1,0,0]=3 1178 B12R1.5 CNC(C)c1ccc(cc1)SC 2230a_100000738722_200000210301 [1,1,0,0,0,0|1,0,0]=3 1179 B12R1.5 CNC(C)c1ccc(cc1)SC 269862a_106832991636_100000185071 [1,1,0,0,0,0|1,0,0]=3 1180 B12R1.5 CNC(C)c1ccc(cc1)SC 62a_100000231103_200000210301 [1,1,0,0,0,0|1,0,0]=3 1181 B12R1.5 CNC(C)c1ccc(cc1)SC 62a_200000210301_100000231103 [1,1,0,0,0,0|1,0,0]=3 1182 B12R1.5 CNC(C)c1ccc(cc1)S[13CH3] 62a_100000231103_200025704644 [1,1,0,0,0,0|1,0,0]=3 1183 B12R1.5 CNC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000231103 [1,1,0,0,0,0|1,0,0]=3 1184 B12R1.5 CNC(C)c1ccc(nc1)OC 269862a_106832991636_100011934396 [1,1,0,0,0,0|2,0,0]=4 1185 B12R1.5 CN[C@H](C)c1ccc(cc1)C#N 2230a_100016991473_200000210301 [1,1,0,0,0,0|1,0,1]=4 1186 B12R1.5 CN[C@H](C)c1ccc(cc1)C#N 34a_100016991473_200000210301 [1,1,0,0,0,0|1,0,1]=4 1187 B12R1.5 CN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_200000210301 [1,1,0,0,0,0|1,0,0]=3 1188 B12R1.5 CNc1ccc(cc1)C(=O)NN 27a_100102657272_100000183614 [1,1,0,0,0,0|2,0,0]=4 1189 B12R1.5 CNc1ccc(cc1)C(C)C#N 34a_100000069498_200000210301 [1,1,0,0,0,0|1,0,1]=4 1190 B12R1.5 CNc1ccc(cc1)C(C)C#N 7a_100000069498_200000210301 [1,1,0,0,0,0|1,0,1]=4 1191 B12R1.5 CNc1ccc(cc1)C(C)NC 269862a_106832991636_100011806243 [1,1,0,0,0,0|1,0,0]=3 1192 B12R1.5 CNc1ccc(cn1)C(=O)OC 27a_100102657272_100000733799 [1,1,0,0,0,0|2,0,0]=4 1193 B12R1.5 COC(=O)c1ccc(cc1)OC 34a_100000150123_200000210301 [1,1,0,0,0,0|1,0,0]=3 1194 B12R1.5 COC(=O)c1ccc(cc1)OC 7a_100000150123_200000210301 [1,1,0,0,0,0|1,0,0]=3 1195 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 34a_100000150123_200025704644 [1,1,0,0,0,0|1,0,0]=3 1196 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 7a_100000150123_200025704644 [1,1,0,0,0,0|1,0,0]=3 1197 B12R1.5 COC(=O)c1ccc(cc1)SC 62a_100000150774_200000210301 [1,1,0,0,0,0|1,0,0]=3 1198 B12R1.5 COC(=O)c1ccc(cc1)SC 62a_200000210301_100000150774 [1,1,0,0,0,0|1,0,0]=3 1199 B12R1.5 COC(=O)c1ccc(cc1)S[13CH3] 62a_100000150774_200025704644 [1,1,0,0,0,0|1,0,0]=3 1200 B12R1.5 COC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000150774 [1,1,0,0,0,0|1,0,0]=3 1201 B12R1.5 COC(=O)c1ccc(cn1)OC 34a_100011997255_200000210301 [1,1,0,0,0,0|2,0,0]=4 1202 B12R1.5 COC(=O)c1ccc(cn1)OC 7a_100011997255_200000210301 [1,1,0,0,0,0|2,0,0]=4 1203 B12R1.5 COC(=O)c1ccc(cn1)O[13CH3] 34a_100011997255_200025704644 [1,1,0,0,0,0|2,0,0]=4 1204 B12R1.5 COC(=O)c1ccc(cn1)O[13CH3] 7a_100011997255_200025704644 [1,1,0,0,0,0|2,0,0]=4 1205 B12R1.5 COC(=O)c1ccc(cn1)SC 62a_100102712061_200000210301 [1,1,0,0,0,0|2,0,0]=4 1206 B12R1.5 COC(=O)c1ccc(cn1)SC 62a_200000210301_100102712061 [1,1,0,0,0,0|2,0,0]=4 1207 B12R1.5 COC(=O)c1ccc(cn1)S[13CH3] 62a_100102712061_200025704644 [1,1,0,0,0,0|2,0,0]=4 1208 B12R1.5 COC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100102712061 [1,1,0,0,0,0|2,0,0]=4 1209 B12R1.5 COC(=O)c1ccc(nc1)SC 62a_100000733799_200000210301 [1,1,0,0,0,0|2,0,0]=4 1210 B12R1.5 COC(=O)c1ccc(nc1)SC 62a_200000210301_100000733799 [1,1,0,0,0,0|2,0,0]=4 1211 B12R1.5 COC(=O)c1ccc(nc1)S[13CH3] 62a_100000733799_200025704644 [1,1,0,0,0,0|2,0,0]=4 1212 B12R1.5 COC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000733799 [1,1,0,0,0,0|2,0,0]=4 1213 B12R1.5 COC(C)c1ccc(cc1)CN 34a_200000048501_200000210301 [1,1,0,0,0,0|1,0,1]=4 1214 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 34a_200010658654_200025704644 [1,1,0,0,0,0|1,0,0]=3 1215 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 7a_200010658654_200025704644 [1,1,0,0,0,0|1,0,0]=3 1216 B12R1.5 COC(C)c1ccc(cc1)SC 62a_100010254937_200000210301 [1,1,0,0,0,0|1,0,0]=3 1217 B12R1.5 COC(C)c1ccc(cc1)SC 62a_200000210301_100010254937 [1,1,0,0,0,0|1,0,0]=3 1218 B12R1.5 COC(C)c1ccc(cc1)S[13CH3] 62a_100010254937_200025704644 [1,1,0,0,0,0|1,0,0]=3 1219 B12R1.5 COC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100010254937 [1,1,0,0,0,0|1,0,0]=3 1220 B12R1.5 CO[C@@H](C)c1ccc(cc1)C#N 34a_100011852132_200000210301 [1,1,0,0,0,0|1,0,1]=4 1221 B12R1.5 CO[C@@H](C)c1ccc(cc1)C#N 7a_100011852132_200000210301 [1,1,0,0,0,0|1,0,1]=4 1222 B12R1.5 COc1ccc(cc1)C(=NO)C 34a_100000164205_200000210301 [1,1,0,0,0,0|1,0,1]=4 1223 B12R1.5 COc1ccc(cc1)C(=O)CBr 7a_100009814261_200000210301 [1,1,0,0,0,0|1,0,0]=3 1224 B12R1.5 COc1ccc(cc1)C(=O)CCl 7a_100000018856_200000210301 [1,1,0,0,0,0|1,0,0]=3 1225 B12R1.5 COc1ccc(cc1)C(=O)CF 1458a_100000184203_100015361967 [1,1,0,0,0,0|1,0,0]=3 1226 B12R1.5 COc1ccc(cc1)C(=O)CF 34a_200010654591_200000210301 [1,1,0,0,0,0|1,0,0]=3 1227 B12R1.5 COc1ccc(cc1)C(=O)CF 7a_200010654591_200000210301 [1,1,0,0,0,0|1,0,0]=3 1228 B12R1.5 COc1ccc(cc1)C(=O)NN 34a_100000185078_200000210301 [1,1,0,0,0,0|2,0,0]=4 1229 B12R1.5 COc1ccc(cc1)C(C)CN 34a_200015188644_200000210301 [1,1,0,0,0,0|1,0,0]=3 1230 B12R1.5 COc1ccc(cc1)C(C)OC 34a_100000742907_200000210301 [1,1,0,0,0,0|1,0,0]=3 1231 B12R1.5 COc1ccc(cc1)C(C)OC 34a_200010658654_200000210301 [1,1,0,0,0,0|1,0,0]=3 1232 B12R1.5 COc1ccc(cc1)C(C)OC 7a_100000742907_200000210301 [1,1,0,0,0,0|1,0,0]=3 1233 B12R1.5 COc1ccc(cc1)C(C)OC 7a_200010658654_200000210301 [1,1,0,0,0,0|1,0,0]=3 1234 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 34a_100000742907_200025704644 [1,1,0,0,0,0|1,0,0]=3 1235 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 7a_100000742907_200025704644 [1,1,0,0,0,0|1,0,0]=3 1236 B12R1.5 COc1ccc(cc1)C(O)CN 34a_100000067596_200000210301 [1,1,0,0,0,0|2,0,0]=4 1237 B12R1.5 COc1ccc(cc1)N(C)CF 269982a_100000220023_100015361967 [1,1,0,0,0,0|2,0,0]=4 1238 B12R1.5 COc1ccc(cc1)N(C)CF 34a_100000220023_100015361967 [1,1,0,0,0,0|2,0,0]=4 1239 B12R1.5 COc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100011830352_200025704644 [1,1,0,0,0,0|1,0,0]=3 1240 B12R1.5 CSc1ccc(cc1)C(=O)C#N 62a_200000210301_100009994572 [1,1,0,0,0,0|1,0,1]=4 1241 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_100000725942_200000210301 [1,1,0,0,0,0|1,0,1]=4 1242 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_200000210301_100000725942 [1,1,0,0,0,0|1,0,1]=4 1243 B12R1.5 CSc1ccc(cc1)C(=O)CF 1458a_100000189692_100015361967 [1,1,0,0,0,0|1,0,0]=3 1244 B12R1.5 CSc1ccc(cc1)C(=O)CN 62a_100000017248_200000210301 [1,1,0,0,0,0|1,0,0]=3 1245 B12R1.5 CSc1ccc(cc1)C(=O)CN 62a_200000210301_100000017248 [1,1,0,0,0,0|1,0,0]=3 1246 B12R1.5 CSc1ccc(cc1)C(=O)CO 62a_100011219529_200000210301 [1,1,0,0,0,0|1,0,0]=3 1247 B12R1.5 CSc1ccc(cc1)C(=O)CO 62a_200000210301_100011219529 [1,1,0,0,0,0|1,0,0]=3 1248 B12R1.5 CSc1ccc(cc1)C(=O)NN 62a_100000183614_200000210301 [1,1,0,0,0,0|2,0,0]=4 1249 B12R1.5 CSc1ccc(cc1)C(=O)NN 62a_200000210301_100000183614 [1,1,0,0,0,0|2,0,0]=4 1250 B12R1.5 CSc1ccc(cc1)C(C)C#N 62a_100000695319_200000210301 [1,1,0,0,0,0|1,0,1]=4 1251 B12R1.5 CSc1ccc(cc1)C(C)C#N 62a_200000210301_100000695319 [1,1,0,0,0,0|1,0,1]=4 1252 B12R1.5 CSc1ccc(cc1)C(C)N[13CH3] 2230a_100000738722_200025704644 [1,1,0,0,0,0|1,0,0]=3 1253 B12R1.5 CSc1ccc(cc1)C(N)CO 62a_100000734186_200000210301 [1,1,0,0,0,0|2,0,0]=4 1254 B12R1.5 CSc1ccc(cc1)C(N)CO 62a_200000210301_100000734186 [1,1,0,0,0,0|2,0,0]=4 1255 B12R1.5 CSc1ccc(cc1)C(O)CN 62a_100020626992_200000210301 [1,1,0,0,0,0|2,0,0]=4 1256 B12R1.5 CSc1ccc(cc1)C(O)CN 62a_200000210301_100020626992 [1,1,0,0,0,0|2,0,0]=4 1257 B12R1.5 CSc1ccc(cc1)C(O)CO 62a_200000210301_200012355997 [1,1,0,0,0,0|2,0,0]=4 1258 B12R1.5 CSc1ccc(cc1)C(O)CO 62a_200012355997_200000210301 [1,1,0,0,0,0|2,0,0]=4 1259 B12R1.5 C[C@@H](N[13CH3])c1ccc(cc1)C#N 2230a_100016991473_200025704644 [1,1,0,0,0,0|1,0,1]=4 1260 B12R1.5 C[C@@H](N[13CH3])c1ccc(cc1)C#N 34a_100016991473_200025704644 [1,1,0,0,0,0|1,0,1]=4 1261 B12R1.5 C[C@H](O[13CH3])c1ccc(cc1)C#N 34a_100011852132_200025704644 [1,1,0,0,0,0|1,0,1]=4 1262 B12R1.5 C[C@H](O[13CH3])c1ccc(cc1)C#N 7a_100011852132_200025704644 [1,1,0,0,0,0|1,0,1]=4 1263 B12R1.5 N#Cc1ccc(cc1)C(=O)CF 1458a_100000210717_100015361967 [1,1,0,0,0,0|1,0,1]=4 1264 B12R1.5 O=C(CF)c1ccc(cc1)CO 1458a_100000183892_100015361967 [1,1,0,0,0,0|1,0,0]=3 1265 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CBr 7a_100009814261_200025704644 [1,1,0,0,0,0|1,0,0]=3 1266 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CCl 7a_100000018856_200025704644 [1,1,0,0,0,0|1,0,0]=3 1267 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CF 34a_200010654591_200025704644 [1,1,0,0,0,0|1,0,0]=3 1268 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CF 7a_200010654591_200025704644 [1,1,0,0,0,0|1,0,0]=3 1269 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)NN 34a_100000185078_200025704644 [1,1,0,0,0,0|2,0,0]=4 1270 B12R1.5 [13CH3]Oc1ccc(cc1)C(O)CN 34a_100000067596_200025704644 [1,1,0,0,0,0|2,0,0]=4 1271 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C#N 62a_200025704644_100009994572 [1,1,0,0,0,0|1,0,1]=4 1272 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_100000725942_200025704644 [1,1,0,0,0,0|1,0,1]=4 1273 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_200025704644_100000725942 [1,1,0,0,0,0|1,0,1]=4 1274 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CN 62a_100000017248_200025704644 [1,1,0,0,0,0|1,0,0]=3 1275 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CN 62a_200025704644_100000017248 [1,1,0,0,0,0|1,0,0]=3 1276 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CO 62a_100011219529_200025704644 [1,1,0,0,0,0|1,0,0]=3 1277 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CO 62a_200025704644_100011219529 [1,1,0,0,0,0|1,0,0]=3 1278 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)NN 62a_100000183614_200025704644 [1,1,0,0,0,0|2,0,0]=4 1279 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)NN 62a_200025704644_100000183614 [1,1,0,0,0,0|2,0,0]=4 1280 B12R1.5 [13CH3]Sc1ccc(cc1)C(N)CO 62a_100000734186_200025704644 [1,1,0,0,0,0|2,0,0]=4 1281 B12R1.5 [13CH3]Sc1ccc(cc1)C(N)CO 62a_200025704644_100000734186 [1,1,0,0,0,0|2,0,0]=4 1282 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CN 62a_100020626992_200025704644 [1,1,0,0,0,0|2,0,0]=4 1283 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CN 62a_200025704644_100020626992 [1,1,0,0,0,0|2,0,0]=4 1284 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CO 62a_200012355997_200025704644 [1,1,0,0,0,0|2,0,0]=4 1285 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CO 62a_200025704644_200012355997 [1,1,0,0,0,0|2,0,0]=4 1286 B12R1.6 C=Cc1ccc(cc1)C(C)(C)C 271570a_100011290941_100011215385 [1,1,0,0,0,0|0,0,1]=3 1287 B12R1.6 C=Cc1ccc(cc1)C(C)(C)N 271570a_100011290941_100000739617 [1,1,0,0,0,0|0,0,1]=3 1288 B12R1.6 C=Cc1ccc(cc1)C(C)(C)O 271570a_100011290941_100000753367 [1,1,0,0,0,0|0,0,1]=3 1289 B12R1.6 C=Cc1ccc(cc1)C(C)(F)F 271570a_100011290941_100009817129 [1,1,0,0,0,0|1,0,1]=4 1290 B12R1.6 C=Cc1ccc(cc1)[Si](C)(C)C 271570a_100011290941_100009813420 [1,1,0,0,0,0|0,1,1]=4 1291 B12R1.6 C=Cc1ccc(cn1)C(C)(C)C 271570a_100011290941_100000686854 [1,1,0,0,0,0|1,0,1]=4 1292 B12R1.6 C=Cc1ccc(cn1)C(C)(C)O 271570a_100011290941_100010080785 [1,1,0,0,0,0|1,0,1]=4 1293 B12R1.6 C=Cc1ccc(nc1)C(C)(C)C 271570a_100011290941_100010245212 [1,1,0,0,0,0|1,0,1]=4 1294 B12R1.6 C=Cc1ccc(nc1)C(C)(C)O 271570a_100011290941_100010246419 [1,1,0,0,0,0|1,0,1]=4 1295 B12R1.6 CC(C)(C)c1ccc(cc1)N[13CH3] 2230a_100000210346_200025704644 [1,1,0,0,0,0|1,0,0]=3 1296 B12R1.6 CC(C)(C)c1ccc(cc1)N[13CH3] 34a_100000210346_200025704644 [1,1,0,0,0,0|1,0,0]=3 1297 B12R1.6 CC(C)(C)c1ccc(cc1)N[13CH3] 7a_100000210346_200025704644 [1,1,0,0,0,0|1,0,0]=3 1298 B12R1.6 CC(C)(C)c1ccc(cc1)O[13CH3] 34a_100000185729_200025704644 [1,1,0,0,0,0|1,0,0]=3 1299 B12R1.6 CC(C)(C)c1ccc(cc1)O[13CH3] 7a_100000185729_200025704644 [1,1,0,0,0,0|1,0,0]=3 1300 B12R1.6 CC(C)(C)c1ccc(cc1)S[13CH3] 62a_100011215385_200025704644 [1,1,0,0,0,0|1,0,0]=3 1301 B12R1.6 CC(C)(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100011215385 [1,1,0,0,0,0|1,0,0]=3 1302 B12R1.6 CC(C)(C)c1ccc(cn1)S[13CH3] 62a_100010245212_200025704644 [1,1,0,0,0,0|2,0,0]=4 1303 B12R1.6 CC(C)(C)c1ccc(cn1)S[13CH3] 62a_200025704644_100010245212 [1,1,0,0,0,0|2,0,0]=4 1304 B12R1.6 CC(C)(C)c1ccc(nc1)S[13CH3] 62a_100000686854_200025704644 [1,1,0,0,0,0|2,0,0]=4 1305 B12R1.6 CC(C)(C)c1ccc(nc1)S[13CH3] 62a_200025704644_100000686854 [1,1,0,0,0,0|2,0,0]=4 1306 B12R1.6 CC(C)(N)c1ccc(cc1)S[13CH3] 62a_100000739617_200025704644 [1,1,0,0,0,0|1,0,0]=3 1307 B12R1.6 CC(C)(N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000739617 [1,1,0,0,0,0|1,0,0]=3 1308 B12R1.6 CC(C)(O)c1ccc(cc1)O[13CH3] 34a_100000695648_200025704644 [1,1,0,0,0,0|1,0,0]=3 1309 B12R1.6 CC(C)(O)c1ccc(cc1)O[13CH3] 7a_100000695648_200025704644 [1,1,0,0,0,0|1,0,0]=3 1310 B12R1.6 CC(C)(O)c1ccc(cc1)S[13CH3] 62a_100000753367_200025704644 [1,1,0,0,0,0|1,0,0]=3 1311 B12R1.6 CC(C)(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000753367 [1,1,0,0,0,0|1,0,0]=3 1312 B12R1.6 CC(C)(O)c1ccc(cn1)S[13CH3] 62a_100010246419_200025704644 [1,1,0,0,0,0|2,0,0]=4 1313 B12R1.6 CC(C)(O)c1ccc(cn1)S[13CH3] 62a_200025704644_100010246419 [1,1,0,0,0,0|2,0,0]=4 1314 B12R1.6 CC(C)(O)c1ccc(nc1)S[13CH3] 62a_100010080785_200025704644 [1,1,0,0,0,0|2,0,0]=4 1315 B12R1.6 CC(C)(O)c1ccc(nc1)S[13CH3] 62a_200025704644_100010080785 [1,1,0,0,0,0|2,0,0]=4 1316 B12R1.6 CC(F)(F)c1ccc(cc1)S[13CH3] 62a_100009817129_200025704644 [1,1,0,0,0,0|2,0,0]=4 1317 B12R1.6 CC(F)(F)c1ccc(cc1)S[13CH3] 62a_200025704644_100009817129 [1,1,0,0,0,0|2,0,0]=4 1318 B12R1.6 CNc1ccc(cc1)C(C)(C)C 2230a_100000210346_200000210301 [1,1,0,0,0,0|1,0,0]=3 1319 B12R1.6 CNc1ccc(cc1)C(C)(C)C 34a_100000210346_200000210301 [1,1,0,0,0,0|1,0,0]=3 1320 B12R1.6 CNc1ccc(cc1)C(C)(C)C 7a_100000210346_200000210301 [1,1,0,0,0,0|1,0,0]=3 1321 B12R1.6 CNc1ccc(cc1)S(=O)(=O)C 34a_100000195502_200000210301 [1,1,0,0,0,0|2,0,0]=4 1322 B12R1.6 CNc1ccc(cc1)S(=O)(=O)C 7a_100000195502_200000210301 [1,1,0,0,0,0|2,0,0]=4 1323 B12R1.6 CNc1ccc(cc1)[Si](C)(C)C 7a_100009954384_200000210301 [1,1,0,0,0,0|1,1,0]=4 1324 B12R1.6 COc1ccc(cc1)C(C)(C)C 34a_100000185729_200000210301 [1,1,0,0,0,0|1,0,0]=3 1325 B12R1.6 COc1ccc(cc1)C(C)(C)C 7a_100000185729_200000210301 [1,1,0,0,0,0|1,0,0]=3 1326 B12R1.6 COc1ccc(cc1)C(C)(C)O 34a_100000695648_200000210301 [1,1,0,0,0,0|1,0,0]=3 1327 B12R1.6 COc1ccc(cc1)C(C)(C)O 7a_100000695648_200000210301 [1,1,0,0,0,0|1,0,0]=3 1328 B12R1.6 COc1ccc(cc1)S(=O)(=O)C 34a_100000230201_200000210301 [1,1,0,0,0,0|2,0,0]=4 1329 B12R1.6 COc1ccc(cc1)S(=O)(=O)C 7a_100000230201_200000210301 [1,1,0,0,0,0|2,0,0]=4 1330 B12R1.6 CS(=O)(=O)c1ccc(cc1)N[13CH3] 34a_100000195502_200025704644 [1,1,0,0,0,0|2,0,0]=4 1331 B12R1.6 CS(=O)(=O)c1ccc(cc1)N[13CH3] 7a_100000195502_200025704644 [1,1,0,0,0,0|2,0,0]=4 1332 B12R1.6 CS(=O)(=O)c1ccc(cc1)O[13CH3] 34a_100000230201_200025704644 [1,1,0,0,0,0|2,0,0]=4 1333 B12R1.6 CS(=O)(=O)c1ccc(cc1)O[13CH3] 7a_100000230201_200025704644 [1,1,0,0,0,0|2,0,0]=4 1334 B12R1.6 CS(=O)(=O)c1ccc(cc1)S[13CH3] 62a_100000765142_200025704644 [1,1,0,0,0,0|2,0,0]=4 1335 B12R1.6 CS(=O)(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000765142 [1,1,0,0,0,0|2,0,0]=4 1336 B12R1.6 CSc1ccc(cc1)C(C)(C)C 62a_100011215385_200000210301 [1,1,0,0,0,0|1,0,0]=3 1337 B12R1.6 CSc1ccc(cc1)C(C)(C)C 62a_200000210301_100011215385 [1,1,0,0,0,0|1,0,0]=3 1338 B12R1.6 CSc1ccc(cc1)C(C)(C)N 62a_100000739617_200000210301 [1,1,0,0,0,0|1,0,0]=3 1339 B12R1.6 CSc1ccc(cc1)C(C)(C)N 62a_200000210301_100000739617 [1,1,0,0,0,0|1,0,0]=3 1340 B12R1.6 CSc1ccc(cc1)C(C)(C)O 62a_100000753367_200000210301 [1,1,0,0,0,0|1,0,0]=3 1341 B12R1.6 CSc1ccc(cc1)C(C)(C)O 62a_200000210301_100000753367 [1,1,0,0,0,0|1,0,0]=3 1342 B12R1.6 CSc1ccc(cc1)C(C)(F)F 62a_100009817129_200000210301 [1,1,0,0,0,0|2,0,0]=4 1343 B12R1.6 CSc1ccc(cc1)C(C)(F)F 62a_200000210301_100009817129 [1,1,0,0,0,0|2,0,0]=4 1344 B12R1.6 CSc1ccc(cc1)S(=O)(=O)C 62a_100000765142_200000210301 [1,1,0,0,0,0|2,0,0]=4 1345 B12R1.6 CSc1ccc(cc1)S(=O)(=O)C 62a_200000210301_100000765142 [1,1,0,0,0,0|2,0,0]=4 1346 B12R1.6 CSc1ccc(cc1)[Si](C)(C)C 62a_100009813420_200000210301 [1,1,0,0,0,0|1,1,0]=4 1347 B12R1.6 CSc1ccc(cc1)[Si](C)(C)C 62a_200000210301_100009813420 [1,1,0,0,0,0|1,1,0]=4 1348 B12R1.6 CSc1ccc(cn1)C(C)(C)C 62a_100000686854_200000210301 [1,1,0,0,0,0|2,0,0]=4 1349 B12R1.6 CSc1ccc(cn1)C(C)(C)C 62a_200000210301_100000686854 [1,1,0,0,0,0|2,0,0]=4 1350 B12R1.6 CSc1ccc(cn1)C(C)(C)O 62a_100010080785_200000210301 [1,1,0,0,0,0|2,0,0]=4 1351 B12R1.6 CSc1ccc(cn1)C(C)(C)O 62a_200000210301_100010080785 [1,1,0,0,0,0|2,0,0]=4 1352 B12R1.6 CSc1ccc(nc1)C(C)(C)C 62a_100010245212_200000210301 [1,1,0,0,0,0|2,0,0]=4 1353 B12R1.6 CSc1ccc(nc1)C(C)(C)C 62a_200000210301_100010245212 [1,1,0,0,0,0|2,0,0]=4 1354 B12R1.6 CSc1ccc(nc1)C(C)(C)O 62a_100010246419_200000210301 [1,1,0,0,0,0|2,0,0]=4 1355 B12R1.6 CSc1ccc(nc1)C(C)(C)O 62a_200000210301_100010246419 [1,1,0,0,0,0|2,0,0]=4 1356 B12R1.6 C[Si](C)(C)c1ccc(cc1)N[13CH3] 7a_100009954384_200025704644 [1,1,0,0,0,0|1,1,0]=4 1357 B12R1.6 C[Si](C)(C)c1ccc(cc1)S[13CH3] 62a_100009813420_200025704644 [1,1,0,0,0,0|1,1,0]=4 1358 B12R1.6 C[Si](C)(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100009813420 [1,1,0,0,0,0|1,1,0]=4 1359 B12R1.48 C#Cc1ccc(cc1C)C(=O)C 1458a_100013243528_200000210301 [1,1,0,0,0,0|0,0,2]=4 1360 B12R1.48 C#Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100013243528_200025704644 [1,1,0,0,0,0|0,0,2]=4 1361 B12R1.48 C#Cc1ccc(cc1Cl)C(=O)C 1458a_100014797261_200000210301 [1,1,0,0,0,0|0,0,2]=4 1362 B12R1.48 C#Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100014797261_200025704644 [1,1,0,0,0,0|0,0,2]=4 1363 B12R1.48 C=C(C)c1ccc(c(c1)Br)C=O 271570a_100000694244_100010185650 [1,1,0,0,0,0|0,0,2]=4 1364 B12R1.48 C=C(C)c1ccc(c(c1)Br)CO 271570a_100000694244_100010240206 [1,1,0,0,0,0|2,0,0]=4 1365 B12R1.48 C=C(C)c1ccc(c(c1)Br)OC 271570a_100000694244_100011249507 [1,1,0,0,0,0|2,0,0]=4 1366 B12R1.48 C=C(C)c1ccc(c(c1)C)C=O 271570a_100000694244_100000687586 [1,1,0,0,0,0|0,0,2]=4 1367 B12R1.48 C=C(C)c1ccc(c(c1)C)CF 271570a_100000694244_200010711859 [1,1,0,0,0,0|2,0,0]=4 1368 B12R1.48 C=C(C)c1ccc(c(c1)C)CN 271570a_100000694244_100000753881 [1,1,0,0,0,0|2,0,0]=4 1369 B12R1.48 C=C(C)c1ccc(c(c1)C)CO 271570a_100000694244_100000748258 [1,1,0,0,0,0|2,0,0]=4 1370 B12R1.48 C=C(C)c1ccc(c(c1)C)NC 271570a_100000694244_100000221803 [1,1,0,0,0,0|2,0,0]=4 1371 B12R1.48 C=C(C)c1ccc(c(c1)C)OC 271570a_100000694244_100011219705 [1,1,0,0,0,0|2,0,0]=4 1372 B12R1.48 C=C(C)c1ccc(c(c1)Cl)C=O 271570a_100000694244_100000727542 [1,1,0,0,0,0|0,0,2]=4 1373 B12R1.48 C=C(C)c1ccc(c(c1)Cl)OC 271570a_100000694244_100012355395 [1,1,0,0,0,0|2,0,0]=4 1374 B12R1.48 C=C(C)c1ccc(c(c1)Cl)SC 271570a_100000694244_206447510565 [1,1,0,0,0,0|2,0,0]=4 1375 B12R1.48 C=C(C)c1ccc(c(c1)F)C=O 271570a_100000694244_100000211676 [1,1,0,0,0,0|0,0,2]=4 1376 B12R1.48 C=C(C)c1ccc(c(c1)F)CC 271570a_100000694244_200010071577 [1,1,0,0,0,0|1,0,0]=3 1377 B12R1.48 C=C(C)c1ccc(c(c1)F)CN 271570a_100000694244_100000754580 [1,1,0,0,0,0|2,0,0]=4 1378 B12R1.48 C=C(C)c1ccc(c(c1)F)CO 271570a_100000694244_100011191541 [1,1,0,0,0,0|2,0,0]=4 1379 B12R1.48 C=C(C)c1ccc(c(c1)F)NC 271570a_100000694244_100000743884 [1,1,0,0,0,0|2,0,0]=4 1380 B12R1.48 C=C(C)c1ccc(c(c1)F)OC 271570a_100000694244_100000185480 [1,1,0,0,0,0|2,0,0]=4 1381 B12R1.48 C=C(C)c1ccc(c(c1)F)SC 271570a_100000694244_100010161220 [1,1,0,0,0,0|2,0,0]=4 1382 B12R1.48 C=C(C)c1ccc(c(c1)N)C=O 271570a_100000694244_100009814810 [1,1,0,0,0,0|0,0,2]=4 1383 B12R1.48 C=C(C)c1ccc(c(c1)N)CC 271570a_100000694244_100012354963 [1,1,0,0,0,0|1,0,0]=3 1384 B12R1.48 C=C(C)c1ccc(c(c1)N)CO 271570a_100000694244_100000718831 [1,1,0,0,0,0|2,0,0]=4 1385 B12R1.48 C=C(C)c1ccc(c(c1)N)NC 271570a_100000694244_100000741790 [1,1,0,0,0,0|2,0,0]=4 1386 B12R1.48 C=C(C)c1ccc(c(c1)N)OC 271570a_100000694244_100000743470 [1,1,0,0,0,0|2,0,0]=4 1387 B12R1.48 C=C(C)c1ccc(c(c1)O)C=O 271570a_100000694244_100011277552 [1,1,0,0,0,0|0,0,2]=4 1388 B12R1.48 C=C(C)c1ccc(c(c1)O)CO 271570a_100000694244_100000071718 [1,1,0,0,0,0|2,0,0]=4 1389 B12R1.48 C=C(C)c1ccc(c(c1)O)OC 271570a_100000694244_100009816560 [1,1,0,0,0,0|2,0,0]=4 1390 B12R1.48 C=Cc1ccc(cc1Br)C(=O)C 271570a_100011290941_100010146554 [1,1,0,0,0,0|0,0,2]=4 1391 B12R1.48 C=Cc1ccc(cc1Br)C(C)C 271570a_100011290941_200010212211 [1,1,0,0,0,0|0,0,1]=3 1392 B12R1.48 C=Cc1ccc(cc1C)C(=O)C 271570a_100011290941_100000697869 [1,1,0,0,0,0|0,0,2]=4 1393 B12R1.48 C=Cc1ccc(cc1C)N(C)C 271570a_100011290941_100011934168 [1,1,0,0,0,0|1,0,1]=4 1394 B12R1.48 C=Cc1ccc(cc1F)C(=O)C 271570a_100011290941_100000690002 [1,1,0,0,0,0|0,0,2]=4 1395 B12R1.48 C=Cc1ccc(cc1F)[C@H](C)N 271570a_100011290941_100134618348 [1,1,0,0,0,0|1,0,1]=4 1396 B12R1.48 C=Cc1ccc(cc1N)C(=O)C 271570a_100011290941_100009816534 [1,1,0,0,0,0|0,0,2]=4 1397 B12R1.48 C=Cc1cnc(cc1C)C(C)C 271570a_100011290941_100021475462 [1,1,0,0,0,0|1,0,1]=4 1398 B12R1.48 CC(=O)c1cc(c(cn1)S[13CH3])C 62a_100011011822_200025704644 [1,1,0,0,0,0|2,0,0]=4 1399 B12R1.48 CC(=O)c1cc(c(cn1)S[13CH3])C 62a_200025704644_100011011822 [1,1,0,0,0,0|2,0,0]=4 1400 B12R1.48 CC(=O)c1ccc(c(c1)Br)C#N 1458a_100012355661_200000210301 [1,1,0,0,0,0|1,0,1]=4 1401 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 34a_100011772453_200025704644 [1,1,0,0,0,0|1,0,0]=3 1402 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100011772453_200025704644 [1,1,0,0,0,0|1,0,0]=3 1403 B12R1.48 CC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_100010146554_200025704644 [1,1,0,0,0,0|1,0,0]=3 1404 B12R1.48 CC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100010146554 [1,1,0,0,0,0|1,0,0]=3 1405 B12R1.48 CC(=O)c1ccc(c(c1)C)C#N 1458a_100012180287_200000210301 [1,1,0,0,0,0|1,0,1]=4 1406 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 34a_100000188726_200025704644 [1,1,0,0,0,0|1,0,0]=3 1407 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 7a_100000188726_200025704644 [1,1,0,0,0,0|1,0,0]=3 1408 B12R1.48 CC(=O)c1ccc(c(c1)C)S[13CH3] 62a_100000697869_200025704644 [1,1,0,0,0,0|1,0,0]=3 1409 B12R1.48 CC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_100000697869 [1,1,0,0,0,0|1,0,0]=3 1410 B12R1.48 CC(=O)c1ccc(c(c1)Cl)C#N 1458a_100000694585_200000210301 [1,1,0,0,0,0|1,0,1]=4 1411 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100000188625_200025704644 [1,1,0,0,0,0|1,0,0]=3 1412 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100000188625_200025704644 [1,1,0,0,0,0|1,0,0]=3 1413 B12R1.48 CC(=O)c1ccc(c(c1)F)C#N 1458a_100011217213_200000210301 [1,1,0,0,0,0|1,0,1]=4 1414 B12R1.48 CC(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200000210301 [1,1,0,0,0,0|1,0,0]=3 1415 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000751691_200025704644 [1,1,0,0,0,0|1,0,0]=3 1416 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000751691_200025704644 [1,1,0,0,0,0|1,0,0]=3 1417 B12R1.48 CC(=O)c1ccc(c(c1)F)S[13CH3] 62a_100000690002_200025704644 [1,1,0,0,0,0|1,0,0]=3 1418 B12R1.48 CC(=O)c1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000690002 [1,1,0,0,0,0|1,0,0]=3 1419 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000117292_200025704644 [1,1,0,0,0,0|1,0,0]=3 1420 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000117292_200025704644 [1,1,0,0,0,0|1,0,0]=3 1421 B12R1.48 CC(=O)c1ccc(c(c1)N)S[13CH3] 62a_100009816534_200025704644 [1,1,0,0,0,0|1,0,0]=3 1422 B12R1.48 CC(=O)c1cnc(c(c1)C)S[13CH3] 62a_100009864263_200025704644 [1,1,0,0,0,0|2,0,0]=4 1423 B12R1.48 CC(=O)c1cnc(c(c1)C)S[13CH3] 62a_200025704644_100009864263 [1,1,0,0,0,0|2,0,0]=4 1424 B12R1.48 CC(C)c1ccc(c(c1)Br)N[13CH3] 2230a_100011218581_200025704644 [1,1,0,0,0,0|1,0,0]=3 1425 B12R1.48 CC(C)c1ccc(c(c1)Br)N[13CH3] 34a_100011218581_200025704644 [1,1,0,0,0,0|1,0,0]=3 1426 B12R1.48 CC(C)c1ccc(c(c1)Br)N[13CH3] 7a_100011218581_200025704644 [1,1,0,0,0,0|1,0,0]=3 1427 B12R1.48 CC(C)c1ccc(c(c1)Br)S[13CH3] 62a_200010212211_200025704644 [1,1,0,0,0,0|1,0,0]=3 1428 B12R1.48 CC(C)c1ccc(c(c1)Br)S[13CH3] 62a_200025704644_200010212211 [1,1,0,0,0,0|1,0,0]=3 1429 B12R1.48 CC(C)c1ccc(c(c1)Cl)O[13CH3] 34a_100012182850_200025704644 [1,1,0,0,0,0|1,0,0]=3 1430 B12R1.48 CC(C)c1ccc(c(c1)Cl)O[13CH3] 7a_100012182850_200025704644 [1,1,0,0,0,0|1,0,0]=3 1431 B12R1.48 CC(C)c1ccc(c(c1)I)N[13CH3] 34a_100012355998_200025704644 [1,1,0,0,0,0|1,0,0]=3 1432 B12R1.48 CC(C)c1ccc(c(c1)I)N[13CH3] 7a_100012355998_200025704644 [1,1,0,0,0,0|1,0,0]=3 1433 B12R1.48 CC(C)c1ccc(c(c1)N)O[13CH3] 34a_200000187366_200025704644 [1,1,0,0,0,0|1,0,0]=3 1434 B12R1.48 CC(C)c1ccc(c(c1)N)O[13CH3] 7a_200000187366_200025704644 [1,1,0,0,0,0|1,0,0]=3 1435 B12R1.48 CC(C)c1ccc(c(c1)O)C=O 271570a_203496583355_100010158967 [1,1,0,0,0,0|0,0,0]=2 1436 B12R1.48 CCc1ccc(cc1Br)C(=O)C 1458a_100012340589_200000210301 [1,1,0,0,0,0|0,0,0]=2 1437 B12R1.48 CCc1ccc(cc1Br)C(=O)[13CH3] 1458a_100012340589_200025704644 [1,1,0,0,0,0|0,0,0]=2 1438 B12R1.48 CCc1ccc(cc1O)C(=O)C 1458a_100000089006_200000210301 [1,1,0,0,0,0|0,0,0]=2 1439 B12R1.48 CCc1ccc(cc1O)C(=O)[13CH3] 1458a_100000089006_200025704644 [1,1,0,0,0,0|0,0,0]=2 1440 B12R1.48 CN(C)c1ccc(c(c1)Br)N[13CH3] 34a_200013039233_200025704644 [1,1,0,0,0,0|2,0,0]=4 1441 B12R1.48 CN(C)c1ccc(c(n1)F)C=O 27a_100102631434_100010064369 [1,1,0,0,0,0|2,0,0]=4 1442 B12R1.48 CNc1ccc(cc1Br)C(=O)N 27a_100102657272_100009814583 [1,1,0,0,0,0|2,0,0]=4 1443 B12R1.48 CNc1ccc(cc1Br)C(C)C 2230a_100011218581_200000210301 [1,1,0,0,0,0|1,0,0]=3 1444 B12R1.48 CNc1ccc(cc1Br)C(C)C 34a_100011218581_200000210301 [1,1,0,0,0,0|1,0,0]=3 1445 B12R1.48 CNc1ccc(cc1Br)C(C)C 7a_100011218581_200000210301 [1,1,0,0,0,0|1,0,0]=3 1446 B12R1.48 CNc1ccc(cc1Br)N(C)C 34a_200013039233_200000210301 [1,1,0,0,0,0|2,0,0]=4 1447 B12R1.48 CNc1ccc(cc1C)C(=O)N 27a_100102657272_100011218126 [1,1,0,0,0,0|2,0,0]=4 1448 B12R1.48 CNc1ccc(cc1C)C(=O)N 34a_100000746439_200000210301 [1,1,0,0,0,0|2,0,0]=4 1449 B12R1.48 CNc1ccc(cc1C)C(=O)N 7a_100000746439_200000210301 [1,1,0,0,0,0|2,0,0]=4 1450 B12R1.48 CNc1ccc(cc1C)N(C)C 34a_100000246174_200000210301 [1,1,0,0,0,0|2,0,0]=4 1451 B12R1.48 CNc1ccc(cc1F)C(=O)N 27a_100102657272_100000686215 [1,1,0,0,0,0|2,0,0]=4 1452 B12R1.48 CNc1ccc(cc1I)C(C)C 34a_100012355998_200000210301 [1,1,0,0,0,0|1,0,0]=3 1453 B12R1.48 CNc1ccc(cc1I)C(C)C 7a_100012355998_200000210301 [1,1,0,0,0,0|1,0,0]=3 1454 B12R1.48 CNc1cnc(cc1C)C(C)C 27a_100102657272_100021475462 [1,1,0,0,0,0|2,0,0]=4 1455 B12R1.48 CNc1ncc(cc1C)C(=O)C 27a_100102657272_100009864263 [1,1,0,0,0,0|2,0,0]=4 1456 B12R1.48 COc1ccc(cc1Br)C(=O)C 1458a_100000187947_200000210301 [1,1,0,0,0,0|1,0,0]=3 1457 B12R1.48 COc1ccc(cc1Br)C(=O)C 34a_100011772453_200000210301 [1,1,0,0,0,0|1,0,0]=3 1458 B12R1.48 COc1ccc(cc1Br)C(=O)C 7a_100011772453_200000210301 [1,1,0,0,0,0|1,0,0]=3 1459 B12R1.48 COc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000187947_200025704644 [1,1,0,0,0,0|1,0,0]=3 1460 B12R1.48 COc1ccc(cc1C)C(=O)C 1458a_100011202886_200000210301 [1,1,0,0,0,0|1,0,0]=3 1461 B12R1.48 COc1ccc(cc1C)C(=O)C 34a_100000188726_200000210301 [1,1,0,0,0,0|1,0,0]=3 1462 B12R1.48 COc1ccc(cc1C)C(=O)C 7a_100000188726_200000210301 [1,1,0,0,0,0|1,0,0]=3 1463 B12R1.48 COc1ccc(cc1C)C(=O)[13CH3] 1458a_100011202886_200025704644 [1,1,0,0,0,0|1,0,0]=3 1464 B12R1.48 COc1ccc(cc1C)C(C)C 34a_200012180908_200000210301 [1,1,0,0,0,0|1,0,0]=3 1465 B12R1.48 COc1ccc(cc1C)C(C)C 7a_200012180908_200000210301 [1,1,0,0,0,0|1,0,0]=3 1466 B12R1.48 COc1ccc(cc1Cl)C(=O)C 1458a_100000188346_200000210301 [1,1,0,0,0,0|1,0,0]=3 1467 B12R1.48 COc1ccc(cc1Cl)C(=O)C 34a_100000188625_200000210301 [1,1,0,0,0,0|1,0,0]=3 1468 B12R1.48 COc1ccc(cc1Cl)C(=O)C 7a_100000188625_200000210301 [1,1,0,0,0,0|1,0,0]=3 1469 B12R1.48 COc1ccc(cc1Cl)C(=O)N 34a_200000192832_200000210301 [1,1,0,0,0,0|2,0,0]=4 1470 B12R1.48 COc1ccc(cc1Cl)C(=O)N 7a_200000192832_200000210301 [1,1,0,0,0,0|2,0,0]=4 1471 B12R1.48 COc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000188346_200025704644 [1,1,0,0,0,0|1,0,0]=3 1472 B12R1.48 COc1ccc(cc1Cl)C(C)C 34a_100012182850_200000210301 [1,1,0,0,0,0|1,0,0]=3 1473 B12R1.48 COc1ccc(cc1Cl)C(C)C 7a_100012182850_200000210301 [1,1,0,0,0,0|1,0,0]=3 1474 B12R1.48 COc1ccc(cc1F)C(=O)C 1458a_100000186160_200000210301 [1,1,0,0,0,0|1,0,0]=3 1475 B12R1.48 COc1ccc(cc1F)C(=O)C 34a_100000751691_200000210301 [1,1,0,0,0,0|1,0,0]=3 1476 B12R1.48 COc1ccc(cc1F)C(=O)C 7a_100000751691_200000210301 [1,1,0,0,0,0|1,0,0]=3 1477 B12R1.48 COc1ccc(cc1F)C(=O)[13CH3] 1458a_100000186160_200025704644 [1,1,0,0,0,0|1,0,0]=3 1478 B12R1.48 COc1ccc(cc1I)C(=O)C 1458a_100000188716_200000210301 [1,1,0,0,0,0|1,0,0]=3 1479 B12R1.48 COc1ccc(cc1I)C(=O)[13CH3] 1458a_100000188716_200025704644 [1,1,0,0,0,0|1,0,0]=3 1480 B12R1.48 COc1ccc(cc1I)N(C)C 269982a_114948341033_200000210301 [1,1,0,0,0,0|2,0,0]=4 1481 B12R1.48 COc1ccc(cc1I)N(C)C 34a_114948341033_200000210301 [1,1,0,0,0,0|2,0,0]=4 1482 B12R1.48 COc1ccc(cc1I)N(C)C 38a_114948341033_200000210301 [1,1,0,0,0,0|2,0,0]=4 1483 B12R1.48 COc1ccc(cc1I)N(C)[13CH3] 269982a_114948341033_200025704644 [1,1,0,0,0,0|2,0,0]=4 1484 B12R1.48 COc1ccc(cc1I)N(C)[13CH3] 34a_114948341033_200025704644 [1,1,0,0,0,0|2,0,0]=4 1485 B12R1.48 COc1ccc(cc1I)N(C)[13CH3] 38a_114948341033_200025704644 [1,1,0,0,0,0|2,0,0]=4 1486 B12R1.48 COc1ccc(cc1N)C(=O)C 34a_100000117292_200000210301 [1,1,0,0,0,0|1,0,0]=3 1487 B12R1.48 COc1ccc(cc1N)C(=O)C 7a_100000117292_200000210301 [1,1,0,0,0,0|1,0,0]=3 1488 B12R1.48 COc1ccc(cc1N)C(C)C 34a_200000187366_200000210301 [1,1,0,0,0,0|1,0,0]=3 1489 B12R1.48 COc1ccc(cc1N)C(C)C 7a_200000187366_200000210301 [1,1,0,0,0,0|1,0,0]=3 1490 B12R1.48 COc1ccc(cc1O)C(=O)C 1458a_100000766810_200000210301 [1,1,0,0,0,0|1,0,0]=3 1491 B12R1.48 COc1ccc(cc1O)C(=O)C 271570a_203496583355_100000185153 [1,1,0,0,0,0|1,0,0]=3 1492 B12R1.48 COc1ccc(cc1O)C(=O)[13CH3] 1458a_100000766810_200025704644 [1,1,0,0,0,0|1,0,0]=3 1493 B12R1.48 COc1ccc(cc1O)C(C)O 271570a_203496583355_100000246541 [1,1,0,0,0,0|2,0,0]=4 1494 B12R1.48 CSc1ccc(cc1Br)C(=O)C 62a_100010146554_200000210301 [1,1,0,0,0,0|1,0,0]=3 1495 B12R1.48 CSc1ccc(cc1Br)C(=O)C 62a_200000210301_100010146554 [1,1,0,0,0,0|1,0,0]=3 1496 B12R1.48 CSc1ccc(cc1Br)C(=O)N 62a_100009814583_200000210301 [1,1,0,0,0,0|2,0,0]=4 1497 B12R1.48 CSc1ccc(cc1Br)C(=O)N 62a_200000210301_100009814583 [1,1,0,0,0,0|2,0,0]=4 1498 B12R1.48 CSc1ccc(cc1Br)C(C)C 62a_200000210301_200010212211 [1,1,0,0,0,0|1,0,0]=3 1499 B12R1.48 CSc1ccc(cc1Br)C(C)C 62a_200010212211_200000210301 [1,1,0,0,0,0|1,0,0]=3 1500 B12R1.48 CSc1ccc(cc1C)C(=O)C 62a_100000697869_200000210301 [1,1,0,0,0,0|1,0,0]=3 1501 B12R1.48 CSc1ccc(cc1C)C(=O)C 62a_200000210301_100000697869 [1,1,0,0,0,0|1,0,0]=3 1502 B12R1.48 CSc1ccc(cc1C)C(=O)N 62a_100011218126_200000210301 [1,1,0,0,0,0|2,0,0]=4 1503 B12R1.48 CSc1ccc(cc1C)C(=O)N 62a_200000210301_100011218126 [1,1,0,0,0,0|2,0,0]=4 1504 B12R1.48 CSc1ccc(cc1C)N(C)C 62a_100011934168_200000210301 [1,1,0,0,0,0|2,0,0]=4 1505 B12R1.48 CSc1ccc(cc1C)N(C)C 62a_200000210301_100011934168 [1,1,0,0,0,0|2,0,0]=4 1506 B12R1.48 CSc1ccc(cc1F)C(=O)C 62a_100000690002_200000210301 [1,1,0,0,0,0|1,0,0]=3 1507 B12R1.48 CSc1ccc(cc1F)C(=O)C 62a_200000210301_100000690002 [1,1,0,0,0,0|1,0,0]=3 1508 B12R1.48 CSc1ccc(cc1F)C(=O)N 62a_100000686215_200000210301 [1,1,0,0,0,0|2,0,0]=4 1509 B12R1.48 CSc1ccc(cc1F)C(=O)N 62a_200000210301_100000686215 [1,1,0,0,0,0|2,0,0]=4 1510 B12R1.48 CSc1ccc(cc1F)[C@H](C)N 62a_100134618348_200000210301 [1,1,0,0,0,0|2,0,0]=4 1511 B12R1.48 CSc1ccc(cc1F)[C@H](C)N 62a_200000210301_100134618348 [1,1,0,0,0,0|2,0,0]=4 1512 B12R1.48 CSc1ccc(cc1N)C(=O)C 62a_100009816534_200000210301 [1,1,0,0,0,0|1,0,0]=3 1513 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_100012344895_200000210301 [1,1,0,0,0,0|2,0,0]=4 1514 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_200000210301_100012344895 [1,1,0,0,0,0|2,0,0]=4 1515 B12R1.48 CSc1cnc(cc1C)C(=O)C 62a_100011011822_200000210301 [1,1,0,0,0,0|2,0,0]=4 1516 B12R1.48 CSc1cnc(cc1C)C(=O)C 62a_200000210301_100011011822 [1,1,0,0,0,0|2,0,0]=4 1517 B12R1.48 CSc1cnc(cc1C)C(C)C 62a_100021475462_200000210301 [1,1,0,0,0,0|2,0,0]=4 1518 B12R1.48 CSc1cnc(cc1C)C(C)C 62a_200000210301_100021475462 [1,1,0,0,0,0|2,0,0]=4 1519 B12R1.48 CSc1ncc(cc1C)C(=O)C 62a_100009864263_200000210301 [1,1,0,0,0,0|2,0,0]=4 1520 B12R1.48 CSc1ncc(cc1C)C(=O)C 62a_200000210301_100009864263 [1,1,0,0,0,0|2,0,0]=4 1521 B12R1.48 C[C@H](N)c1ccc(c(c1)F)S[13CH3] 62a_100134618348_200025704644 [1,1,0,0,0,0|2,0,0]=4 1522 B12R1.48 C[C@H](N)c1ccc(c(c1)F)S[13CH3] 62a_200025704644_100134618348 [1,1,0,0,0,0|2,0,0]=4 1523 B12R1.48 Cc1cc(ccc1C#N)C(=O)[13CH3] 1458a_100012180287_200025704644 [1,1,0,0,0,0|1,0,1]=4 1524 B12R1.48 Cc1cc(ccc1N[13CH3])C(=O)N 34a_100000746439_200025704644 [1,1,0,0,0,0|2,0,0]=4 1525 B12R1.48 Cc1cc(ccc1N[13CH3])C(=O)N 7a_100000746439_200025704644 [1,1,0,0,0,0|2,0,0]=4 1526 B12R1.48 Cc1cc(ccc1N[13CH3])N(C)C 34a_100000246174_200025704644 [1,1,0,0,0,0|2,0,0]=4 1527 B12R1.48 Cc1cc(ccc1O[13CH3])C(C)C 34a_200012180908_200025704644 [1,1,0,0,0,0|1,0,0]=3 1528 B12R1.48 Cc1cc(ccc1O[13CH3])C(C)C 7a_200012180908_200025704644 [1,1,0,0,0,0|1,0,0]=3 1529 B12R1.48 Cc1cc(ccc1S[13CH3])C(=O)N 62a_100011218126_200025704644 [1,1,0,0,0,0|2,0,0]=4 1530 B12R1.48 Cc1cc(ccc1S[13CH3])C(=O)N 62a_200025704644_100011218126 [1,1,0,0,0,0|2,0,0]=4 1531 B12R1.48 Cc1cc(ccc1S[13CH3])N(C)C 62a_100011934168_200025704644 [1,1,0,0,0,0|2,0,0]=4 1532 B12R1.48 Cc1cc(ccc1S[13CH3])N(C)C 62a_200025704644_100011934168 [1,1,0,0,0,0|2,0,0]=4 1533 B12R1.48 Cc1cc(ncc1S[13CH3])C(C)C 62a_100021475462_200025704644 [1,1,0,0,0,0|2,0,0]=4 1534 B12R1.48 Cc1cc(ncc1S[13CH3])C(C)C 62a_200025704644_100021475462 [1,1,0,0,0,0|2,0,0]=4 1535 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)Br)C#N 1458a_100012355661_200025704644 [1,1,0,0,0,0|1,0,1]=4 1536 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)Cl)C#N 1458a_100000694585_200025704644 [1,1,0,0,0,0|1,0,1]=4 1537 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)F)C#N 1458a_100011217213_200025704644 [1,1,0,0,0,0|1,0,1]=4 1538 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200025704644 [1,1,0,0,0,0|1,0,0]=3 1539 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 34a_200000192832_200025704644 [1,1,0,0,0,0|2,0,0]=4 1540 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 7a_200000192832_200025704644 [1,1,0,0,0,0|2,0,0]=4 1541 B12R1.48 [13CH3]Sc1ccc(cc1Br)C(=O)N 62a_100009814583_200025704644 [1,1,0,0,0,0|2,0,0]=4 1542 B12R1.48 [13CH3]Sc1ccc(cc1Br)C(=O)N 62a_200025704644_100009814583 [1,1,0,0,0,0|2,0,0]=4 1543 B12R1.48 [13CH3]Sc1ccc(cc1F)C(=O)N 62a_100000686215_200025704644 [1,1,0,0,0,0|2,0,0]=4 1544 B12R1.48 [13CH3]Sc1ccc(cc1F)C(=O)N 62a_200025704644_100000686215 [1,1,0,0,0,0|2,0,0]=4 1545 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_100012344895_200025704644 [1,1,0,0,0,0|2,0,0]=4 1546 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_200025704644_100012344895 [1,1,0,0,0,0|2,0,0]=4 1547 B12R1.113 C=C(C)c1ccc(cc1)/C=C/C 271570a_100000694244_100016259036 [1,1,0,0,0,0|0,0,2]=4 1548 B12R1.113 C=C(C)c1ccc(cc1)C=CC 271570a_100016259895_100000185454 [1,1,0,0,0,0|0,0,2]=4 1549 B12R1.113 C=C(C)c1ccc(cc1)CC#N 271570a_100000694244_100011217881 [1,1,0,0,0,0|1,0,1]=4 1550 B12R1.113 C=C(C)c1ccc(cc1)CC=O 271570a_100000694244_100011361690 [1,1,0,0,0,0|0,0,2]=4 1551 B12R1.113 C=C(C)c1ccc(cc1)CCC 271570a_100000694244_100000750032 [1,1,0,0,0,0|1,0,0]=3 1552 B12R1.113 C=C(C)c1ccc(cc1)CCN 271570a_100000694244_100000755846 [1,1,0,0,0,0|1,0,0]=3 1553 B12R1.113 C=C(C)c1ccc(cc1)CCO 271570a_100000694244_100000766406 [1,1,0,0,0,0|1,0,0]=3 1554 B12R1.113 C=C(C)c1ccc(cc1)CNC 26a_100102657272_100009880102 [1,1,0,0,0,0|1,0,0]=3 1555 B12R1.113 C=C(C)c1ccc(cc1)CNC 271570a_100000694244_100000180866 [1,1,0,0,0,0|1,0,0]=3 1556 B12R1.113 C=C(C)c1ccc(cc1)CNN 271570a_100000694244_100016993955 [1,1,0,0,0,0|2,0,0]=4 1557 B12R1.113 C=C(C)c1ccc(cc1)COC 271570a_100000694244_100011493685 [1,1,0,0,0,0|1,0,0]=3 1558 B12R1.113 C=C(C)c1ccc(cc1)NCC 271570a_100000694244_100000219632 [1,1,0,0,0,0|1,0,0]=3 1559 B12R1.113 C=C(C)c1ccc(cc1)OCC 271570a_100000694244_100000169946 [1,1,0,0,0,0|1,0,0]=3 1560 B12R1.113 C=C(C)c1ccc(cc1)OCC 34a_100009880102_100000210202 [1,1,0,0,0,0|1,0,0]=3 1561 B12R1.113 C=C(C)c1ccc(cc1)OCC 7a_100009880102_100000210202 [1,1,0,0,0,0|1,0,0]=3 1562 B12R1.113 C=C(C)c1ccc(cc1)OCF 34a_100009880102_100015361967 [1,1,0,0,0,0|2,0,0]=4 1563 B12R1.113 C=C(C)c1ccc(cc1)OCF 7a_100009880102_100015361967 [1,1,0,0,0,0|2,0,0]=4 1564 B12R1.113 C=C(C)c1ccc(cc1)SCC 271570a_100000694244_200009811893 [1,1,0,0,0,0|1,0,0]=3 1565 B12R1.113 C=C(C)c1ccc(cc1)SCC 62a_100000185454_100000210202 [1,1,0,0,0,0|1,0,0]=3 1566 B12R1.113 C=C(C)c1ccc(cc1)SCC 62a_100000210202_100000185454 [1,1,0,0,0,0|1,0,0]=3 1567 B12R1.113 C=C(C)c1ccc(cc1)SCF 62a_100000185454_100015361967 [1,1,0,0,0,0|2,0,0]=4 1568 B12R1.113 C=C(C)c1ccc(cc1)SCF 62a_100015361967_100000185454 [1,1,0,0,0,0|2,0,0]=4 1569 B12R1.113 C=C(C)c1ccc(cn1)CCO 271570a_100000694244_100009880866 [1,1,0,0,0,0|2,0,0]=4 1570 B12R1.113 C=C(C)c1ccc(cn1)CNC 271570a_100000694244_100000026953 [1,1,0,0,0,0|2,0,0]=4 1571 B12R1.113 C=C(C)c1ccc(cn1)CSC 271570a_100000694244_100000753673 [1,1,0,0,0,0|2,0,0]=4 1572 B12R1.113 C=C(C)c1ccc(cn1)OCC 271570a_100000694244_100000753957 [1,1,0,0,0,0|2,0,0]=4 1573 B12R1.113 C=C(C)c1ccc(nc1)CCO 271570a_100000694244_100012357577 [1,1,0,0,0,0|2,0,0]=4 1574 B12R1.113 C=C(C)c1ccc(nc1)NCC 271570a_100000694244_100000741496 [1,1,0,0,0,0|2,0,0]=4 1575 B12R1.113 C=C(C)c1ccc(nc1)OCC 271570a_100000694244_100011219444 [1,1,0,0,0,0|2,0,0]=4 1576 B12R1.113 C=C(C)c1ccc(nc1)SCC 271570a_100000694244_100000690189 [1,1,0,0,0,0|2,0,0]=4 1577 B12R1.113 C=C=Cc1ccc(cc1)C(=O)C 271570a_100015277604_100000185465 [1,1,0,0,0,0|0,0,2]=4 1578 B12R1.113 C=C=Cc1ccc(cc1)C(C)C 271570a_100015277604_100000750031 [1,1,0,0,0,0|0,0,1]=3 1579 B12R1.113 C=C=Cc1ccc(cc1)C(C)O 271570a_100015277604_100000745893 [1,1,0,0,0,0|1,0,1]=4 1580 B12R1.113 C=C=Cc1ccc(cc1)N(C)C 271570a_100015277604_100000210421 [1,1,0,0,0,0|1,0,1]=4 1581 B12R1.113 C=C=Cc1ccc(cc1)[C@@H](C)N 271570a_100015277604_100000720352 [1,1,0,0,0,0|1,0,1]=4 1582 B12R1.113 C=C=Cc1ccc(cc1)[C@H](C)N 271570a_100015277604_100000753911 [1,1,0,0,0,0|1,0,1]=4 1583 B12R1.113 C=C=Cc1ccc(cn1)C(C)C 271570a_100015277604_200009815286 [1,1,0,0,0,0|1,0,1]=4 1584 B12R1.113 C=C=Cc1ccc(nc1)C(C)C 271570a_100015277604_100010255768 [1,1,0,0,0,0|1,0,1]=4 1585 B12R1.113 CC#Cc1ccc(cc1)C(=O)C 1458a_100009923575_200000210301 [1,1,0,0,0,0|0,0,1]=3 1586 B12R1.113 CC#Cc1ccc(cc1)C(=O)[13CH3] 1458a_100009923575_200025704644 [1,1,0,0,0,0|0,0,1]=3 1587 B12R1.113 CC(=O)c1ccc(cc1)CC#N 1458a_100000693995_200000210301 [1,1,0,0,0,0|0,0,1]=3 1588 B12R1.113 CC(=O)c1ccc(cc1)CCO 1458a_100000078963_200000210301 [1,1,0,0,0,0|0,0,0]=2 1589 B12R1.113 CC(=O)c1ccc(cc1)CO[13CH3] 7a_100000082505_200025704644 [1,1,0,0,0,0|0,0,0]=2 1590 B12R1.113 CC(=O)c1ccc(cc1)CS[13CH3] 62a_100000756337_200025704644 [1,1,0,0,0,0|0,0,0]=2 1591 B12R1.113 CC(=O)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000756337 [1,1,0,0,0,0|0,0,0]=2 1592 B12R1.113 CC(=O)c1ccc(cc1)N=[N+]=[N-] 1458a_100000039380_200000210301 [1,1,0,0,0,0|2,0,0]=4 1593 B12R1.113 CC(=O)c1ccc(cc1)OCF 34a_100000185113_100015361967 [1,1,0,0,0,0|1,0,0]=3 1594 B12R1.113 CC(=O)c1ccc(cc1)OCF 7a_100000185113_100015361967 [1,1,0,0,0,0|1,0,0]=3 1595 B12R1.113 CC(=O)c1ccc(cc1)SCF 62a_100000185465_100015361967 [1,1,0,0,0,0|1,0,0]=3 1596 B12R1.113 CC(=O)c1ccc(cc1)SCF 62a_100015361967_100000185465 [1,1,0,0,0,0|1,0,0]=3 1597 B12R1.113 CC(=O)c1ccc(cn1)OCF 34a_100012001710_100015361967 [1,1,0,0,0,0|2,0,0]=4 1598 B12R1.113 CC(=O)c1ccc(cn1)OCF 7a_100012001710_100015361967 [1,1,0,0,0,0|2,0,0]=4 1599 B12R1.113 CC(=O)c1ccc(cn1)SCF 62a_100000686046_100015361967 [1,1,0,0,0,0|2,0,0]=4 1600 B12R1.113 CC(=O)c1ccc(cn1)SCF 62a_100015361967_100000686046 [1,1,0,0,0,0|2,0,0]=4 1601 B12R1.113 CC(=O)c1ccc(nc1)SCF 62a_100000684857_100015361967 [1,1,0,0,0,0|2,0,0]=4 1602 B12R1.113 CC(=O)c1ccc(nc1)SCF 62a_100015361967_100000684857 [1,1,0,0,0,0|2,0,0]=4 1603 B12R1.113 CC(C)c1ccc(cc1)CN[13CH3] 2230a_100000174979_200025704644 [1,1,0,0,0,0|0,0,1]=3 1604 B12R1.113 CC(C)c1ccc(cc1)CN[13CH3] 34a_100000174979_200025704644 [1,1,0,0,0,0|0,0,1]=3 1605 B12R1.113 CC(C)c1ccc(cc1)CO[13CH3] 34a_100000181325_200025704644 [1,1,0,0,0,0|0,0,1]=3 1606 B12R1.113 CC(C)c1ccc(cc1)CO[13CH3] 7a_100000181325_200025704644 [1,1,0,0,0,0|0,0,1]=3 1607 B12R1.113 CC(C)c1ccc(cc1)CS[13CH3] 62a_100000181262_200025704644 [1,1,0,0,0,0|0,0,1]=3 1608 B12R1.113 CC(C)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000181262 [1,1,0,0,0,0|0,0,1]=3 1609 B12R1.113 CC(C)c1ccc(cc1)NCF 34a_100000210773_100015361967 [1,1,0,0,0,0|1,0,0]=3 1610 B12R1.113 CC(C)c1ccc(cc1)NCF 7a_100000210773_100015361967 [1,1,0,0,0,0|1,0,0]=3 1611 B12R1.113 CC(C)c1ccc(cc1)OCF 34a_100000181308_100015361967 [1,1,0,0,0,0|1,0,0]=3 1612 B12R1.113 CC(C)c1ccc(cc1)OCF 7a_100000181308_100015361967 [1,1,0,0,0,0|1,0,0]=3 1613 B12R1.113 CC(C)c1ccc(cc1)SCF 62a_100000750031_100015361967 [1,1,0,0,0,0|1,0,0]=3 1614 B12R1.113 CC(C)c1ccc(cc1)SCF 62a_100015361967_100000750031 [1,1,0,0,0,0|1,0,0]=3 1615 B12R1.113 CC(C)c1ccc(cn1)SCF 62a_100010255768_100015361967 [1,1,0,0,0,0|2,0,0]=4 1616 B12R1.113 CC(C)c1ccc(cn1)SCF 62a_100015361967_100010255768 [1,1,0,0,0,0|2,0,0]=4 1617 B12R1.113 CC(C)c1ccc(nc1)SCF 62a_100015361967_200009815286 [1,1,0,0,0,0|2,0,0]=4 1618 B12R1.113 CC(C)c1ccc(nc1)SCF 62a_200009815286_100015361967 [1,1,0,0,0,0|2,0,0]=4 1619 B12R1.113 CC(O)c1ccc(cc1)CN[13CH3] 2230a_200000048501_200025704644 [1,1,0,0,0,0|0,0,2]=4 1620 B12R1.113 CC(O)c1ccc(cc1)CN[13CH3] 34a_200000048501_200025704644 [1,1,0,0,0,0|0,0,2]=4 1621 B12R1.113 CC(O)c1ccc(cc1)NCF 34a_100011216399_100015361967 [1,1,0,0,0,0|2,0,0]=4 1622 B12R1.113 CC(O)c1ccc(cc1)OCF 34a_100000754508_100015361967 [1,1,0,0,0,0|2,0,0]=4 1623 B12R1.113 CC(O)c1ccc(cc1)OCF 7a_100000754508_100015361967 [1,1,0,0,0,0|2,0,0]=4 1624 B12R1.113 CC(O)c1ccc(cc1)SCF 62a_100000745893_100015361967 [1,1,0,0,0,0|2,0,0]=4 1625 B12R1.113 CC(O)c1ccc(cc1)SCF 62a_100015361967_100000745893 [1,1,0,0,0,0|2,0,0]=4 1626 B12R1.113 CC=Cc1ccc(cc1)C(=O)C 271570a_100016259895_100000185465 [1,1,0,0,0,0|0,0,1]=3 1627 B12R1.113 CC=Cc1ccc(cc1)C(=O)N 271570a_100016259895_100000162191 [1,1,0,0,0,0|1,0,1]=4 1628 B12R1.113 CC=Cc1ccc(cc1)C(C)C 271570a_100016259895_100000750031 [1,1,0,0,0,0|0,0,0]=2 1629 B12R1.113 CC=Cc1ccc(cc1)C(C)O 271570a_100016259895_100000745893 [1,1,0,0,0,0|1,0,0]=3 1630 B12R1.113 CC=Cc1ccc(cc1)C(F)F 271570a_100016259895_100010189923 [1,1,0,0,0,0|2,0,0]=4 1631 B12R1.113 CC=Cc1ccc(cc1)N(C)C 271570a_100016259895_100000210421 [1,1,0,0,0,0|1,0,0]=3 1632 B12R1.113 CC=Cc1ccc(cc1)S(=O)C 271570a_100016259895_100009816266 [1,1,0,0,0,0|1,0,1]=4 1633 B12R1.113 CC=Cc1ccc(cc1)[C@@H](C)N 271570a_100016259895_100000720352 [1,1,0,0,0,0|1,0,0]=3 1634 B12R1.113 CC=Cc1ccc(cc1)[C@H](C)N 271570a_100016259895_100000753911 [1,1,0,0,0,0|1,0,0]=3 1635 B12R1.113 CC=Cc1ccc(cn1)C(=O)C 271570a_100016259895_100000684857 [1,1,0,0,0,0|1,0,1]=4 1636 B12R1.113 CC=Cc1ccc(cn1)C(C)C 271570a_100016259895_200009815286 [1,1,0,0,0,0|1,0,0]=3 1637 B12R1.113 CC=Cc1ccc(cn1)C(C)O 271570a_100016259895_200010274204 [1,1,0,0,0,0|2,0,0]=4 1638 B12R1.113 CC=Cc1ccc(cn1)N(C)C 271570a_100016259895_100009992925 [1,1,0,0,0,0|2,0,0]=4 1639 B12R1.113 CC=Cc1ccc(cn1)[C@H](C)N 271570a_100016259895_100015387476 [1,1,0,0,0,0|2,0,0]=4 1640 B12R1.113 CC=Cc1ccc(nc1)C(=O)C 271570a_100016259895_100000686046 [1,1,0,0,0,0|1,0,1]=4 1641 B12R1.113 CC=Cc1ccc(nc1)C(C)C 271570a_100016259895_100010255768 [1,1,0,0,0,0|1,0,0]=3 1642 B12R1.113 CC=Cc1ccc(nc1)C(C)N 271570a_100016259895_100000723930 [1,1,0,0,0,0|2,0,0]=4 1643 B12R1.113 CC=Cc1ccc(nc1)C(C)O 271570a_100016259895_100012353650 [1,1,0,0,0,0|2,0,0]=4 1644 B12R1.113 CC=Cc1ccc(nc1)N(C)C 271570a_100016259895_100011465347 [1,1,0,0,0,0|2,0,0]=4 1645 B12R1.113 CC=Cc1cnc(nc1)C(C)C 271570a_100016259895_200009814916 [1,1,0,0,0,0|2,0,0]=4 1646 B12R1.113 CC=Cc1ncc(cn1)C(C)C 271570a_100016259895_100000102307 [1,1,0,0,0,0|2,0,0]=4 1647 B12R1.113 CCCc1ccc(cc1)C(=O)C 1458a_100011207308_200000210301 [1,1,0,0,0,0|0,0,0]=2 1648 B12R1.113 CCCc1ccc(cc1)C(=O)[13CH3] 1458a_100011207308_200025704644 [1,1,0,0,0,0|0,0,0]=2 1649 B12R1.113 CCNc1ccc(cc1)C(=O)N 27a_100015525214_100000162191 [1,1,0,0,0,0|1,0,0]=3 1650 B12R1.113 CCNc1ccc(cc1)C(=O)N 34a_100000210537_100000210202 [1,1,0,0,0,0|1,0,0]=3 1651 B12R1.113 CCNc1ccc(cc1)C(C)C 2230a_100000210773_100000210202 [1,1,0,0,0,0|0,0,1]=3 1652 B12R1.113 CCNc1ccc(cc1)C(C)C 34a_100000210773_100000210202 [1,1,0,0,0,0|0,0,1]=3 1653 B12R1.113 CCNc1ccc(cc1)C(C)C 7a_100000210773_100000210202 [1,1,0,0,0,0|0,0,1]=3 1654 B12R1.113 CCNc1ccc(cc1)C(C)O 2230a_100011216399_100000210202 [1,1,0,0,0,0|0,0,2]=4 1655 B12R1.113 CCNc1ccc(cc1)C(C)O 34a_100011216399_100000210202 [1,1,0,0,0,0|0,0,2]=4 1656 B12R1.113 CCNc1ccc(cc1)N(C)C 34a_100016997997_100000210202 [1,1,0,0,0,0|1,0,1]=4 1657 B12R1.113 CCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000210202 [1,1,0,0,0,0|2,0,0]=4 1658 B12R1.113 CCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000210202 [1,1,0,0,0,0|2,0,0]=4 1659 B12R1.113 CCNc1ccc(cn1)C(=O)C 27a_100015525214_100000690552 [1,1,0,0,0,0|1,0,0]=3 1660 B12R1.113 CCNc1ccc(cn1)C(=O)N 27a_100015525214_100000162237 [1,1,0,0,0,0|2,0,0]=4 1661 B12R1.113 CCNc1cnc(cn1)C(=O)C 27a_100015525214_100009883172 [1,1,0,0,0,0|2,0,0]=4 1662 B12R1.113 CCNc1ncc(cn1)C(=O)C 27a_100015525214_100000099681 [1,1,0,0,0,0|2,0,0]=4 1663 B12R1.113 CCOc1ccc(cc1)C(=O)C 1458a_100000181891_200000210301 [1,1,0,0,0,0|0,0,0]=2 1664 B12R1.113 CCOc1ccc(cc1)C(=O)C 34a_100000185113_100000210202 [1,1,0,0,0,0|0,0,0]=2 1665 B12R1.113 CCOc1ccc(cc1)C(=O)C 7a_100000185113_100000210202 [1,1,0,0,0,0|0,0,0]=2 1666 B12R1.113 CCOc1ccc(cc1)C(=O)N 34a_100000746352_100000210202 [1,1,0,0,0,0|1,0,0]=3 1667 B12R1.113 CCOc1ccc(cc1)C(=O)N 7a_100000746352_100000210202 [1,1,0,0,0,0|1,0,0]=3 1668 B12R1.113 CCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000181891_200025704644 [1,1,0,0,0,0|0,0,0]=2 1669 B12R1.113 CCOc1ccc(cc1)C(C)C 34a_100000181308_100000210202 [1,1,0,0,0,0|0,0,1]=3 1670 B12R1.113 CCOc1ccc(cc1)C(C)C 7a_100000181308_100000210202 [1,1,0,0,0,0|0,0,1]=3 1671 B12R1.113 CCOc1ccc(cc1)C(C)O 34a_100000754508_100000210202 [1,1,0,0,0,0|0,0,2]=4 1672 B12R1.113 CCOc1ccc(cc1)C(C)O 7a_100000754508_100000210202 [1,1,0,0,0,0|0,0,2]=4 1673 B12R1.113 CCOc1ccc(cc1)N(C)C 2230a_100025784348_200000210301 [1,1,0,0,0,0|1,0,1]=4 1674 B12R1.113 CCOc1ccc(cc1)N(C)C 269982a_100025784348_200000210301 [1,1,0,0,0,0|1,0,1]=4 1675 B12R1.113 CCOc1ccc(cc1)N(C)C 34a_100000718910_100000210202 [1,1,0,0,0,0|1,0,1]=4 1676 B12R1.113 CCOc1ccc(cc1)N(C)C 34a_100025784348_200000210301 [1,1,0,0,0,0|1,0,1]=4 1677 B12R1.113 CCOc1ccc(cc1)N(C)[13CH3] 2230a_100025784348_200025704644 [1,1,0,0,0,0|1,0,1]=4 1678 B12R1.113 CCOc1ccc(cc1)N(C)[13CH3] 269982a_100025784348_200025704644 [1,1,0,0,0,0|1,0,1]=4 1679 B12R1.113 CCOc1ccc(cc1)N(C)[13CH3] 34a_100025784348_200025704644 [1,1,0,0,0,0|1,0,1]=4 1680 B12R1.113 CCOc1ccc(cc1)S(=O)C 34a_200000064373_100000210202 [1,1,0,0,0,0|1,0,0]=3 1681 B12R1.113 CCOc1ccc(cc1)S(=O)C 7a_200000064373_100000210202 [1,1,0,0,0,0|1,0,0]=3 1682 B12R1.113 CCOc1ccc(cc1)[C@H](C)N 34a_100161106496_100000210202 [1,1,0,0,0,0|1,0,1]=4 1683 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000210202 [1,1,0,0,0,0|2,0,0]=4 1684 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000210202 [1,1,0,0,0,0|2,0,0]=4 1685 B12R1.113 CCOc1ccc(cc1)[S+](C)C 34a_100010188728_100000210202 [1,1,0,0,0,0|1,0,1]=4 1686 B12R1.113 CCOc1ccc(cc1)[S+](C)C 7a_100010188728_100000210202 [1,1,0,0,0,0|1,0,1]=4 1687 B12R1.113 CCOc1ccc(nc1)C(=O)C 34a_100012001710_100000210202 [1,1,0,0,0,0|1,0,0]=3 1688 B12R1.113 CCOc1ccc(nc1)C(=O)C 7a_100012001710_100000210202 [1,1,0,0,0,0|1,0,0]=3 1689 B12R1.113 CCSc1ccc(cc1)C(=O)C 1458a_100000244969_200000210301 [1,1,0,0,0,0|0,0,0]=2 1690 B12R1.113 CCSc1ccc(cc1)C(=O)C 62a_100000185465_100000210202 [1,1,0,0,0,0|0,0,0]=2 1691 B12R1.113 CCSc1ccc(cc1)C(=O)C 62a_100000210202_100000185465 [1,1,0,0,0,0|0,0,0]=2 1692 B12R1.113 CCSc1ccc(cc1)C(=O)N 62a_100000162191_100000210202 [1,1,0,0,0,0|1,0,0]=3 1693 B12R1.113 CCSc1ccc(cc1)C(=O)N 62a_100000210202_100000162191 [1,1,0,0,0,0|1,0,0]=3 1694 B12R1.113 CCSc1ccc(cc1)C(=O)[13CH3] 1458a_100000244969_200025704644 [1,1,0,0,0,0|0,0,0]=2 1695 B12R1.113 CCSc1ccc(cc1)C(C)C 62a_100000210202_100000750031 [1,1,0,0,0,0|0,0,1]=3 1696 B12R1.113 CCSc1ccc(cc1)C(C)C 62a_100000750031_100000210202 [1,1,0,0,0,0|0,0,1]=3 1697 B12R1.113 CCSc1ccc(cc1)C(C)O 62a_100000210202_100000745893 [1,1,0,0,0,0|0,0,2]=4 1698 B12R1.113 CCSc1ccc(cc1)C(C)O 62a_100000745893_100000210202 [1,1,0,0,0,0|0,0,2]=4 1699 B12R1.113 CCSc1ccc(cc1)N(C)C 62a_100000210202_100000210421 [1,1,0,0,0,0|1,0,1]=4 1700 B12R1.113 CCSc1ccc(cc1)N(C)C 62a_100000210421_100000210202 [1,1,0,0,0,0|1,0,1]=4 1701 B12R1.113 CCSc1ccc(cc1)S(=O)C 62a_100009816266_100000210202 [1,1,0,0,0,0|1,0,0]=3 1702 B12R1.113 CCSc1ccc(cc1)[C@@H](C)N 62a_100000210202_100000720352 [1,1,0,0,0,0|1,0,1]=4 1703 B12R1.113 CCSc1ccc(cc1)[C@@H](C)N 62a_100000720352_100000210202 [1,1,0,0,0,0|1,0,1]=4 1704 B12R1.113 CCSc1ccc(cc1)[C@H](C)N 62a_100000210202_100000753911 [1,1,0,0,0,0|1,0,1]=4 1705 B12R1.113 CCSc1ccc(cc1)[C@H](C)N 62a_100000753911_100000210202 [1,1,0,0,0,0|1,0,1]=4 1706 B12R1.113 CCSc1ccc(cn1)C(=O)C 62a_100000210202_100000684857 [1,1,0,0,0,0|1,0,0]=3 1707 B12R1.113 CCSc1ccc(cn1)C(=O)C 62a_100000684857_100000210202 [1,1,0,0,0,0|1,0,0]=3 1708 B12R1.113 CCSc1ccc(cn1)C(=O)N 62a_100000162237_100000210202 [1,1,0,0,0,0|2,0,0]=4 1709 B12R1.113 CCSc1ccc(cn1)C(=O)N 62a_100000210202_100000162237 [1,1,0,0,0,0|2,0,0]=4 1710 B12R1.113 CCSc1ccc(cn1)C(C)C 62a_100000210202_200009815286 [1,1,0,0,0,0|1,0,1]=4 1711 B12R1.113 CCSc1ccc(cn1)C(C)C 62a_200009815286_100000210202 [1,1,0,0,0,0|1,0,1]=4 1712 B12R1.113 CCSc1ccc(nc1)C(=O)C 62a_100000210202_100000686046 [1,1,0,0,0,0|1,0,0]=3 1713 B12R1.113 CCSc1ccc(nc1)C(=O)C 62a_100000686046_100000210202 [1,1,0,0,0,0|1,0,0]=3 1714 B12R1.113 CCSc1ccc(nc1)C(=O)N 62a_100000210202_100011219284 [1,1,0,0,0,0|2,0,0]=4 1715 B12R1.113 CCSc1ccc(nc1)C(=O)N 62a_100011219284_100000210202 [1,1,0,0,0,0|2,0,0]=4 1716 B12R1.113 CCSc1ccc(nc1)C(C)C 62a_100000210202_100010255768 [1,1,0,0,0,0|1,0,1]=4 1717 B12R1.113 CCSc1ccc(nc1)C(C)C 62a_100010255768_100000210202 [1,1,0,0,0,0|1,0,1]=4 1718 B12R1.113 CCSc1cnc(cn1)C(=O)C 62a_100000210202_100009883172 [1,1,0,0,0,0|2,0,0]=4 1719 B12R1.113 CCSc1cnc(cn1)C(=O)C 62a_100009883172_100000210202 [1,1,0,0,0,0|2,0,0]=4 1720 B12R1.113 CCSc1cnc(nc1)C(=O)C 62a_100000210202_100010077182 [1,1,0,0,0,0|2,0,0]=4 1721 B12R1.113 CCSc1cnc(nc1)C(=O)C 62a_100010077182_100000210202 [1,1,0,0,0,0|2,0,0]=4 1722 B12R1.113 CCSc1ncc(cn1)C(=O)C 62a_100000099681_100000210202 [1,1,0,0,0,0|2,0,0]=4 1723 B12R1.113 CCSc1ncc(cn1)C(=O)C 62a_100000210202_100000099681 [1,1,0,0,0,0|2,0,0]=4 1724 B12R1.113 CN(C)c1ccc(cc1)CO[13CH3] 34a_100000238745_200025704644 [1,1,0,0,0,0|1,0,1]=4 1725 B12R1.113 CN(C)c1ccc(cc1)NCF 34a_100016997997_100015361967 [1,1,0,0,0,0|2,0,0]=4 1726 B12R1.113 CN(C)c1ccc(cc1)OCF 34a_100000718910_100015361967 [1,1,0,0,0,0|2,0,0]=4 1727 B12R1.113 CN(C)c1ccc(cc1)SCF 62a_100000210421_100015361967 [1,1,0,0,0,0|2,0,0]=4 1728 B12R1.113 CN(C)c1ccc(cc1)SCF 62a_100015361967_100000210421 [1,1,0,0,0,0|2,0,0]=4 1729 B12R1.113 CNCc1ccc(cc1)C(=O)C 2230a_106832991635_100000756337 [1,1,0,0,0,0|0,0,0]=2 1730 B12R1.113 CNCc1ccc(cc1)C(=O)C 26a_100102657272_100000185113 [1,1,0,0,0,0|0,0,0]=2 1731 B12R1.113 CNCc1ccc(cc1)C(=O)C 34a_100102657272_100000756337 [1,1,0,0,0,0|0,0,0]=2 1732 B12R1.113 CNCc1ccc(cc1)C(=O)C 7a_106832991635_100000756337 [1,1,0,0,0,0|0,0,0]=2 1733 B12R1.113 CNCc1ccc(cc1)C(=O)N 207a_100102657272_100000038677 [1,1,0,0,0,0|1,0,0]=3 1734 B12R1.113 CNCc1ccc(cc1)C(=O)N 2230a_106832991635_100000231043 [1,1,0,0,0,0|1,0,0]=3 1735 B12R1.113 CNCc1ccc(cc1)C(=O)N 270004a_106832991635_100000038677 [1,1,0,0,0,0|1,0,0]=3 1736 B12R1.113 CNCc1ccc(cc1)C(=O)N 34a_100102657272_100000231043 [1,1,0,0,0,0|1,0,0]=3 1737 B12R1.113 CNCc1ccc(cc1)C(=O)N 7a_106832991635_100000231043 [1,1,0,0,0,0|1,0,0]=3 1738 B12R1.113 CNCc1ccc(cc1)C(=O)O 269956a_100000181780_200000210301 [1,1,0,0,0,0|1,0,0]=3 1739 B12R1.113 CNCc1ccc(cc1)C(=O)[O-] 26a_100102657272_100016998105 [1,1,0,0,0,0|1,0,0]=3 1740 B12R1.113 CNCc1ccc(cc1)C(C)C 207a_100102657272_100000210693 [1,1,0,0,0,0|0,0,1]=3 1741 B12R1.113 CNCc1ccc(cc1)C(C)C 2230a_100000174979_200000210301 [1,1,0,0,0,0|0,0,1]=3 1742 B12R1.113 CNCc1ccc(cc1)C(C)C 2230a_106832991635_100000181262 [1,1,0,0,0,0|0,0,1]=3 1743 B12R1.113 CNCc1ccc(cc1)C(C)C 26a_100102657272_100000181308 [1,1,0,0,0,0|0,0,1]=3 1744 B12R1.113 CNCc1ccc(cc1)C(C)C 270004a_106832991635_100000210693 [1,1,0,0,0,0|0,0,1]=3 1745 B12R1.113 CNCc1ccc(cc1)C(C)C 34a_100000174979_200000210301 [1,1,0,0,0,0|0,0,1]=3 1746 B12R1.113 CNCc1ccc(cc1)C(C)C 34a_100102657272_100000181262 [1,1,0,0,0,0|0,0,1]=3 1747 B12R1.113 CNCc1ccc(cc1)C(C)C 7a_106832991635_100000181262 [1,1,0,0,0,0|0,0,1]=3 1748 B12R1.113 CNCc1ccc(cc1)C(C)O 2230a_200000048501_200000210301 [1,1,0,0,0,0|0,0,2]=4 1749 B12R1.113 CNCc1ccc(cc1)C(C)O 26a_100102657272_100000754508 [1,1,0,0,0,0|0,0,2]=4 1750 B12R1.113 CNCc1ccc(cc1)C(C)O 34a_200000048501_200000210301 [1,1,0,0,0,0|0,0,2]=4 1751 B12R1.113 CNCc1ccc(cc1)N(C)C 207a_100102657272_100000185837 [1,1,0,0,0,0|1,0,1]=4 1752 B12R1.113 CNCc1ccc(cc1)N(C)C 270004a_106832991635_100000185837 [1,1,0,0,0,0|1,0,1]=4 1753 B12R1.113 CNCc1ccc(cc1)S(=O)C 26a_100102657272_200000064373 [1,1,0,0,0,0|1,0,0]=3 1754 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 207a_100102657272_100000189386 [1,1,0,0,0,0|2,0,0]=4 1755 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_200000210301 [1,1,0,0,0,0|2,0,0]=4 1756 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 2230a_106832991635_100000181861 [1,1,0,0,0,0|2,0,0]=4 1757 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 26a_100102657272_100000185810 [1,1,0,0,0,0|2,0,0]=4 1758 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 270004a_106832991635_100000189386 [1,1,0,0,0,0|2,0,0]=4 1759 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_200000210301 [1,1,0,0,0,0|2,0,0]=4 1760 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 34a_100102657272_100000181861 [1,1,0,0,0,0|2,0,0]=4 1761 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 7a_106832991635_100000181861 [1,1,0,0,0,0|2,0,0]=4 1762 B12R1.113 CNCc1ccc(cc1)[S+](C)C 26a_100102657272_100010188728 [1,1,0,0,0,0|1,0,1]=4 1763 B12R1.113 CNCc1ccc(nc1)C(=O)O 269956a_100000762669_200000210301 [1,1,0,0,0,0|2,0,0]=4 1764 B12R1.113 COCc1ccc(cc1)C(=O)C 1458a_100000189608_200000210301 [1,1,0,0,0,0|0,0,0]=2 1765 B12R1.113 COCc1ccc(cc1)C(=O)C 34a_100138415774_100000756337 [1,1,0,0,0,0|0,0,0]=2 1766 B12R1.113 COCc1ccc(cc1)C(=O)C 7a_100000082505_200000210301 [1,1,0,0,0,0|0,0,0]=2 1767 B12R1.113 COCc1ccc(cc1)C(=O)N 34a_100000162016_200000210301 [1,1,0,0,0,0|1,0,0]=3 1768 B12R1.113 COCc1ccc(cc1)C(=O)N 34a_100138415774_100000231043 [1,1,0,0,0,0|1,0,0]=3 1769 B12R1.113 COCc1ccc(cc1)C(=O)N 7a_100000162016_200000210301 [1,1,0,0,0,0|1,0,0]=3 1770 B12R1.113 COCc1ccc(cc1)C(=O)[13CH3] 1458a_100000189608_200025704644 [1,1,0,0,0,0|0,0,0]=2 1771 B12R1.113 COCc1ccc(cc1)C(C)C 34a_100000181325_200000210301 [1,1,0,0,0,0|0,0,1]=3 1772 B12R1.113 COCc1ccc(cc1)C(C)C 34a_100138415774_100000181262 [1,1,0,0,0,0|0,0,1]=3 1773 B12R1.113 COCc1ccc(cc1)C(C)C 7a_100000181325_200000210301 [1,1,0,0,0,0|0,0,1]=3 1774 B12R1.113 COCc1ccc(cc1)N(C)C 34a_100000238745_200000210301 [1,1,0,0,0,0|1,0,1]=4 1775 B12R1.113 COCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_200000210301 [1,1,0,0,0,0|2,0,0]=4 1776 B12R1.113 COCc1ccc(cc1)[N+](=O)[O-] 34a_100138415774_100000181861 [1,1,0,0,0,0|2,0,0]=4 1777 B12R1.113 CS(=O)c1ccc(cc1)OCF 34a_200000064373_100015361967 [1,1,0,0,0,0|2,0,0]=4 1778 B12R1.113 CS(=O)c1ccc(cc1)OCF 7a_200000064373_100015361967 [1,1,0,0,0,0|2,0,0]=4 1779 B12R1.113 CS(=O)c1ccc(cc1)SCF 62a_100009816266_100015361967 [1,1,0,0,0,0|2,0,0]=4 1780 B12R1.113 CSCc1ccc(cc1)C(=O)C 1458a_100000175442_200000210301 [1,1,0,0,0,0|0,0,0]=2 1781 B12R1.113 CSCc1ccc(cc1)C(=O)C 62a_100000756337_200000210301 [1,1,0,0,0,0|0,0,0]=2 1782 B12R1.113 CSCc1ccc(cc1)C(=O)C 62a_200000210301_100000756337 [1,1,0,0,0,0|0,0,0]=2 1783 B12R1.113 CSCc1ccc(cc1)C(=O)N 62a_100000231043_200000210301 [1,1,0,0,0,0|1,0,0]=3 1784 B12R1.113 CSCc1ccc(cc1)C(=O)N 62a_200000210301_100000231043 [1,1,0,0,0,0|1,0,0]=3 1785 B12R1.113 CSCc1ccc(cc1)C(=O)[13CH3] 1458a_100000175442_200025704644 [1,1,0,0,0,0|0,0,0]=2 1786 B12R1.113 CSCc1ccc(cc1)C(C)C 62a_100000181262_200000210301 [1,1,0,0,0,0|0,0,1]=3 1787 B12R1.113 CSCc1ccc(cc1)C(C)C 62a_200000210301_100000181262 [1,1,0,0,0,0|0,0,1]=3 1788 B12R1.113 CSCc1ccc(cc1)[N+](=O)[O-] 62a_200000210301_100000184243 [1,1,0,0,0,0|2,0,0]=4 1789 B12R1.113 C[C@@H](N)c1ccc(cc1)SCF 62a_100000720352_100015361967 [1,1,0,0,0,0|2,0,0]=4 1790 B12R1.113 C[C@@H](N)c1ccc(cc1)SCF 62a_100015361967_100000720352 [1,1,0,0,0,0|2,0,0]=4 1791 B12R1.113 C[C@H](N)c1ccc(cc1)OCF 34a_100161106496_100015361967 [1,1,0,0,0,0|2,0,0]=4 1792 B12R1.113 C[C@H](N)c1ccc(cc1)SCF 62a_100000753911_100015361967 [1,1,0,0,0,0|2,0,0]=4 1793 B12R1.113 C[C@H](N)c1ccc(cc1)SCF 62a_100015361967_100000753911 [1,1,0,0,0,0|2,0,0]=4 1794 B12R1.113 C[S+](C)c1ccc(cc1)OCF 34a_100010188728_100015361967 [1,1,0,0,0,0|2,0,0]=4 1795 B12R1.113 C[S+](C)c1ccc(cc1)OCF 7a_100010188728_100015361967 [1,1,0,0,0,0|2,0,0]=4 1796 B12R1.113 NC(=O)c1ccc(cc1)NCF 34a_100000210537_100015361967 [1,1,0,0,0,0|2,0,0]=4 1797 B12R1.113 NC(=O)c1ccc(cc1)OCF 34a_100000746352_100015361967 [1,1,0,0,0,0|2,0,0]=4 1798 B12R1.113 NC(=O)c1ccc(cc1)OCF 7a_100000746352_100015361967 [1,1,0,0,0,0|2,0,0]=4 1799 B12R1.113 NC(=O)c1ccc(cc1)SCF 62a_100000162191_100015361967 [1,1,0,0,0,0|2,0,0]=4 1800 B12R1.113 NC(=O)c1ccc(cc1)SCF 62a_100015361967_100000162191 [1,1,0,0,0,0|2,0,0]=4 1801 B12R1.113 [13CH3]C(=O)c1ccc(cc1)CC#N 1458a_100000693995_200025704644 [1,1,0,0,0,0|0,0,1]=3 1802 B12R1.113 [13CH3]C(=O)c1ccc(cc1)CCO 1458a_100000078963_200025704644 [1,1,0,0,0,0|0,0,0]=2 1803 B12R1.113 [13CH3]C(=O)c1ccc(cc1)N=[N+]=[N-] 1458a_100000039380_200025704644 [1,1,0,0,0,0|2,0,0]=4 1804 B12R1.113 [13CH3]NCc1ccc(cc1)C(=O)O 269956a_100000181780_200025704644 [1,1,0,0,0,0|1,0,0]=3 1805 B12R1.113 [13CH3]NCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_200025704644 [1,1,0,0,0,0|2,0,0]=4 1806 B12R1.113 [13CH3]NCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_200025704644 [1,1,0,0,0,0|2,0,0]=4 1807 B12R1.113 [13CH3]NCc1ccc(nc1)C(=O)O 269956a_100000762669_200025704644 [1,1,0,0,0,0|2,0,0]=4 1808 B12R1.113 [13CH3]OCc1ccc(cc1)C(=O)N 34a_100000162016_200025704644 [1,1,0,0,0,0|1,0,0]=3 1809 B12R1.113 [13CH3]OCc1ccc(cc1)C(=O)N 7a_100000162016_200025704644 [1,1,0,0,0,0|1,0,0]=3 1810 B12R1.113 [13CH3]OCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_200025704644 [1,1,0,0,0,0|2,0,0]=4 1811 B12R1.113 [13CH3]SCc1ccc(cc1)C(=O)N 62a_100000231043_200025704644 [1,1,0,0,0,0|1,0,0]=3 1812 B12R1.113 [13CH3]SCc1ccc(cc1)C(=O)N 62a_200025704644_100000231043 [1,1,0,0,0,0|1,0,0]=3 1813 B12R1.113 [13CH3]SCc1ccc(cc1)[N+](=O)[O-] 62a_200025704644_100000184243 [1,1,0,0,0,0|2,0,0]=4 1814 B12R1.452 C#Cc1ccc(c(c1)Cl)C(=O)C 1458a_100103168756_200000210301 [1,1,0,0,0,0|0,0,2]=4 1815 B12R1.452 C#Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100103168756_200025704644 [1,1,0,0,0,0|0,0,2]=4 1816 B12R1.452 C=C(C)c1ccc(cc1Br)CC 271570a_100000694244_200009997437 [1,1,0,0,0,0|1,0,0]=3 1817 B12R1.452 C=C(C)c1ccc(cc1Br)OC 271570a_100000694244_100012349170 [1,1,0,0,0,0|2,0,0]=4 1818 B12R1.452 C=C(C)c1ccc(cc1C)C=O 271570a_100000694244_100000765772 [1,1,0,0,0,0|0,0,2]=4 1819 B12R1.452 C=C(C)c1ccc(cc1C)CN 271570a_100000694244_100015205234 [1,1,0,0,0,0|2,0,0]=4 1820 B12R1.452 C=C(C)c1ccc(cc1C)CO 271570a_100000694244_100000718852 [1,1,0,0,0,0|2,0,0]=4 1821 B12R1.452 C=C(C)c1ccc(cc1C)NC 271570a_100000694244_100102888905 [1,1,0,0,0,0|2,0,0]=4 1822 B12R1.452 C=C(C)c1ccc(cc1C)OC 271570a_100000694244_100000759875 [1,1,0,0,0,0|2,0,0]=4 1823 B12R1.452 C=C(C)c1ccc(cc1Cl)CO 271570a_100000694244_100000718186 [1,1,0,0,0,0|2,0,0]=4 1824 B12R1.452 C=C(C)c1ccc(cc1F)C=O 271570a_100000694244_100000686674 [1,1,0,0,0,0|0,0,2]=4 1825 B12R1.452 C=C(C)c1ccc(cc1F)CC 271570a_100000694244_200010339503 [1,1,0,0,0,0|1,0,0]=3 1826 B12R1.452 C=C(C)c1ccc(cc1F)CN 271570a_100000694244_100000755036 [1,1,0,0,0,0|2,0,0]=4 1827 B12R1.452 C=C(C)c1ccc(cc1F)CO 271570a_100000694244_100011533735 [1,1,0,0,0,0|2,0,0]=4 1828 B12R1.452 C=C(C)c1ccc(cc1F)NC 271570a_100000694244_100012285320 [1,1,0,0,0,0|2,0,0]=4 1829 B12R1.452 C=C(C)c1ccc(cc1F)OC 271570a_100000694244_100000753793 [1,1,0,0,0,0|2,0,0]=4 1830 B12R1.452 C=C(C)c1ccc(cc1F)SC 271570a_100000694244_100009816902 [1,1,0,0,0,0|2,0,0]=4 1831 B12R1.452 C=C(C)c1ccc(cc1N)CO 271570a_100000694244_100012347568 [1,1,0,0,0,0|2,0,0]=4 1832 B12R1.452 C=C(C)c1ccc(cc1N)OC 271570a_100000694244_100000748021 [1,1,0,0,0,0|2,0,0]=4 1833 B12R1.452 C=C(C)c1ccc(cc1O)C=O 271570a_100000694244_100000041418 [1,1,0,0,0,0|0,0,2]=4 1834 B12R1.452 C=C(C)c1ccc(cc1O)CO 271570a_100000694244_100000049605 [1,1,0,0,0,0|2,0,0]=4 1835 B12R1.452 C=C(C)c1ccc(cc1O)OC 271570a_100000694244_100000719091 [1,1,0,0,0,0|2,0,0]=4 1836 B12R1.452 C=Cc1ccc(c(c1)C)C(=O)C 271570a_100011290941_100012360112 [1,1,0,0,0,0|0,0,2]=4 1837 B12R1.452 C=Cc1ccc(c(c1)F)C(=O)C 271570a_100011290941_100000690205 [1,1,0,0,0,0|0,0,2]=4 1838 B12R1.452 C=Cc1ccc(c(c1)F)C(C)N 271570a_100011290941_100000730447 [1,1,0,0,0,0|1,0,1]=4 1839 B12R1.452 C=Cc1ccc(c(c1)N)C(=O)C 271570a_100011290941_100011590516 [1,1,0,0,0,0|0,0,2]=4 1840 B12R1.452 C=Cc1ccc(c(c1)N)N(C)C 271570a_100011290941_100000737018 [1,1,0,0,0,0|1,0,1]=4 1841 B12R1.452 C=Cc1ccc(c(c1)O)C(=O)C 271570a_100011290941_100000188348 [1,1,0,0,0,0|0,0,2]=4 1842 B12R1.452 CC(=O)c1ccc(cc1Br)C#N 1458a_100010244945_200000210301 [1,1,0,0,0,0|1,0,1]=4 1843 B12R1.452 CC(=O)c1ccc(cc1Br)O[13CH3] 34a_100012340537_200025704644 [1,1,0,0,0,0|1,0,0]=3 1844 B12R1.452 CC(=O)c1ccc(cc1Br)O[13CH3] 7a_100012340537_200025704644 [1,1,0,0,0,0|1,0,0]=3 1845 B12R1.452 CC(=O)c1ccc(cc1C)C#N 1458a_100000691869_200000210301 [1,1,0,0,0,0|1,0,1]=4 1846 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 34a_100000702595_200025704644 [1,1,0,0,0,0|1,0,0]=3 1847 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 7a_100000702595_200025704644 [1,1,0,0,0,0|1,0,0]=3 1848 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_100012360112_200025704644 [1,1,0,0,0,0|1,0,0]=3 1849 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_200025704644_100012360112 [1,1,0,0,0,0|1,0,0]=3 1850 B12R1.452 CC(=O)c1ccc(cc1Cl)C#N 1458a_100000100588_200000210301 [1,1,0,0,0,0|1,0,1]=4 1851 B12R1.452 CC(=O)c1ccc(cc1Cl)CO 1458a_100015659073_200000210301 [1,1,0,0,0,0|1,0,0]=3 1852 B12R1.452 CC(=O)c1ccc(cc1Cl)O[13CH3] 34a_100011933989_200025704644 [1,1,0,0,0,0|1,0,0]=3 1853 B12R1.452 CC(=O)c1ccc(cc1Cl)O[13CH3] 7a_100011933989_200025704644 [1,1,0,0,0,0|1,0,0]=3 1854 B12R1.452 CC(=O)c1ccc(cc1F)C#N 1458a_100000238375_200000210301 [1,1,0,0,0,0|1,0,1]=4 1855 B12R1.452 CC(=O)c1ccc(cc1F)CO 1458a_100011934814_200000210301 [1,1,0,0,0,0|1,0,0]=3 1856 B12R1.452 CC(=O)c1ccc(cc1F)O[13CH3] 34a_100000752407_200025704644 [1,1,0,0,0,0|1,0,0]=3 1857 B12R1.452 CC(=O)c1ccc(cc1F)O[13CH3] 7a_100000752407_200025704644 [1,1,0,0,0,0|1,0,0]=3 1858 B12R1.452 CC(=O)c1ccc(cc1F)S[13CH3] 62a_100000690205_200025704644 [1,1,0,0,0,0|1,0,0]=3 1859 B12R1.452 CC(=O)c1ccc(cc1N)S[13CH3] 62a_100011590516_200025704644 [1,1,0,0,0,0|1,0,0]=3 1860 B12R1.452 CC(=O)c1ncc(cc1F)S[13CH3] 62a_100000696590_200025704644 [1,1,0,0,0,0|2,0,0]=4 1861 B12R1.452 CC(=O)c1ncc(cc1F)S[13CH3] 62a_200025704644_100000696590 [1,1,0,0,0,0|2,0,0]=4 1862 B12R1.452 CC(N)c1ccc(cc1F)S[13CH3] 62a_100000730447_200025704644 [1,1,0,0,0,0|2,0,0]=4 1863 B12R1.452 CC(N)c1ccc(cc1F)S[13CH3] 62a_200025704644_100000730447 [1,1,0,0,0,0|2,0,0]=4 1864 B12R1.452 CCc1ccc(c(c1)F)C(=O)C 1458a_200009867912_200000210301 [1,1,0,0,0,0|0,0,0]=2 1865 B12R1.452 CCc1ccc(c(c1)F)C(=O)[13CH3] 1458a_200009867912_200025704644 [1,1,0,0,0,0|0,0,0]=2 1866 B12R1.452 CN(C)c1ccc(cc1Cl)N[13CH3] 34a_100000742791_200025704644 [1,1,0,0,0,0|2,0,0]=4 1867 B12R1.452 CN(C)c1ccc(cc1F)N[13CH3] 34a_100011248830_200025704644 [1,1,0,0,0,0|2,0,0]=4 1868 B12R1.452 CN(C)c1ccc(cc1N)S[13CH3] 62a_100000737018_200025704644 [1,1,0,0,0,0|2,0,0]=4 1869 B12R1.452 CN(C)c1ccc(cc1N)S[13CH3] 62a_200025704644_100000737018 [1,1,0,0,0,0|2,0,0]=4 1870 B12R1.452 CN(C)c1ccc(cc1O)C=O 271570a_203496583355_200011298039 [1,1,0,0,0,0|1,0,0]=3 1871 B12R1.452 CNc1ccc(c(c1)Br)C(=O)N 27a_100102657272_200010146565 [1,1,0,0,0,0|2,0,0]=4 1872 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 27a_100102657272_100011327924 [1,1,0,0,0,0|2,0,0]=4 1873 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 34a_200000751758_200000210301 [1,1,0,0,0,0|2,0,0]=4 1874 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 7a_200000751758_200000210301 [1,1,0,0,0,0|2,0,0]=4 1875 B12R1.452 CNc1ccc(c(c1)C)C(C)C 2230a_100000005830_200000210301 [1,1,0,0,0,0|1,0,0]=3 1876 B12R1.452 CNc1ccc(c(c1)C)C(C)C 34a_100000005830_200000210301 [1,1,0,0,0,0|1,0,0]=3 1877 B12R1.452 CNc1ccc(c(c1)C)C(C)C 7a_100000005830_200000210301 [1,1,0,0,0,0|1,0,0]=3 1878 B12R1.452 CNc1ccc(c(c1)C)N(C)C 34a_100000738307_200000210301 [1,1,0,0,0,0|2,0,0]=4 1879 B12R1.452 CNc1ccc(c(c1)Cl)C(=O)N 34a_100000737725_200000210301 [1,1,0,0,0,0|2,0,0]=4 1880 B12R1.452 CNc1ccc(c(c1)Cl)C(=O)N 7a_100000737725_200000210301 [1,1,0,0,0,0|2,0,0]=4 1881 B12R1.452 CNc1ccc(c(c1)Cl)N(C)C 34a_100000742791_200000210301 [1,1,0,0,0,0|2,0,0]=4 1882 B12R1.452 CNc1ccc(c(c1)F)C(=O)C 27a_100102657272_100000690205 [1,1,0,0,0,0|1,0,0]=3 1883 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 27a_100102657272_100000216903 [1,1,0,0,0,0|2,0,0]=4 1884 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 34a_100000749959_200000210301 [1,1,0,0,0,0|2,0,0]=4 1885 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 7a_100000749959_200000210301 [1,1,0,0,0,0|2,0,0]=4 1886 B12R1.452 CNc1ccc(c(c1)F)N(C)C 34a_100011248830_200000210301 [1,1,0,0,0,0|2,0,0]=4 1887 B12R1.452 CNc1ccc(c(c1)O)C(=O)N 34a_100000223280_200000210301 [1,1,0,0,0,0|2,0,0]=4 1888 B12R1.452 CNc1ccc(c(c1)O)C(=O)N 7a_100000223280_200000210301 [1,1,0,0,0,0|2,0,0]=4 1889 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 1458a_100000748873_200000210301 [1,1,0,0,0,0|1,0,0]=3 1890 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 34a_100012340537_200000210301 [1,1,0,0,0,0|1,0,0]=3 1891 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 7a_100012340537_200000210301 [1,1,0,0,0,0|1,0,0]=3 1892 B12R1.452 COc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000748873_200025704644 [1,1,0,0,0,0|1,0,0]=3 1893 B12R1.452 COc1ccc(c(c1)C)C(=O)C 1458a_100000763155_200000210301 [1,1,0,0,0,0|1,0,0]=3 1894 B12R1.452 COc1ccc(c(c1)C)C(=O)C 34a_100000702595_200000210301 [1,1,0,0,0,0|1,0,0]=3 1895 B12R1.452 COc1ccc(c(c1)C)C(=O)C 7a_100000702595_200000210301 [1,1,0,0,0,0|1,0,0]=3 1896 B12R1.452 COc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000763155_200025704644 [1,1,0,0,0,0|1,0,0]=3 1897 B12R1.452 COc1ccc(c(c1)C)C(C)C 34a_100000210824_200000210301 [1,1,0,0,0,0|1,0,0]=3 1898 B12R1.452 COc1ccc(c(c1)C)C(C)C 7a_100000210824_200000210301 [1,1,0,0,0,0|1,0,0]=3 1899 B12R1.452 COc1ccc(c(c1)C)N(C)C 2230a_103496583619_200000210301 [1,1,0,0,0,0|2,0,0]=4 1900 B12R1.452 COc1ccc(c(c1)C)N(C)C 269982a_103496583619_200000210301 [1,1,0,0,0,0|2,0,0]=4 1901 B12R1.452 COc1ccc(c(c1)C)N(C)C 34a_103496583619_200000210301 [1,1,0,0,0,0|2,0,0]=4 1902 B12R1.452 COc1ccc(c(c1)C)N(C)C 38a_103496583619_200000210301 [1,1,0,0,0,0|2,0,0]=4 1903 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 2230a_103496583619_200025704644 [1,1,0,0,0,0|2,0,0]=4 1904 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 269982a_103496583619_200025704644 [1,1,0,0,0,0|2,0,0]=4 1905 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 34a_103496583619_200025704644 [1,1,0,0,0,0|2,0,0]=4 1906 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 38a_103496583619_200025704644 [1,1,0,0,0,0|2,0,0]=4 1907 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 1458a_100000753557_200000210301 [1,1,0,0,0,0|1,0,0]=3 1908 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 34a_100011933989_200000210301 [1,1,0,0,0,0|1,0,0]=3 1909 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 7a_100011933989_200000210301 [1,1,0,0,0,0|1,0,0]=3 1910 B12R1.452 COc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_200000210301 [1,1,0,0,0,0|2,0,0]=4 1911 B12R1.452 COc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_200000210301 [1,1,0,0,0,0|2,0,0]=4 1912 B12R1.452 COc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000753557_200025704644 [1,1,0,0,0,0|1,0,0]=3 1913 B12R1.452 COc1ccc(c(c1)F)C(=O)C 1458a_100000198494_200000210301 [1,1,0,0,0,0|1,0,0]=3 1914 B12R1.452 COc1ccc(c(c1)F)C(=O)C 34a_100000752407_200000210301 [1,1,0,0,0,0|1,0,0]=3 1915 B12R1.452 COc1ccc(c(c1)F)C(=O)C 7a_100000752407_200000210301 [1,1,0,0,0,0|1,0,0]=3 1916 B12R1.452 COc1ccc(c(c1)F)C(=O)N 34a_200012186767_200000210301 [1,1,0,0,0,0|2,0,0]=4 1917 B12R1.452 COc1ccc(c(c1)F)C(=O)N 7a_200012186767_200000210301 [1,1,0,0,0,0|2,0,0]=4 1918 B12R1.452 COc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000198494_200025704644 [1,1,0,0,0,0|1,0,0]=3 1919 B12R1.452 COc1ccc(c(c1)I)C(=O)C 1458a_100000688016_200000210301 [1,1,0,0,0,0|1,0,0]=3 1920 B12R1.452 COc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100000688016_200025704644 [1,1,0,0,0,0|1,0,0]=3 1921 B12R1.452 COc1ccc(c(c1)N)C(=O)N 34a_100012186684_200000210301 [1,1,0,0,0,0|2,0,0]=4 1922 B12R1.452 COc1ccc(c(c1)N)C(=O)N 7a_100012186684_200000210301 [1,1,0,0,0,0|2,0,0]=4 1923 B12R1.452 COc1ccc(c(c1)O)C(=O)C 1458a_100000212123_200000210301 [1,1,0,0,0,0|1,0,0]=3 1924 B12R1.452 COc1ccc(c(c1)O)C(=O)C 271570a_203496583355_100000697255 [1,1,0,0,0,0|1,0,0]=3 1925 B12R1.452 COc1ccc(c(c1)O)C(=O)N 271570a_203496583355_200009815664 [1,1,0,0,0,0|2,0,0]=4 1926 B12R1.452 COc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212123_200025704644 [1,1,0,0,0,0|1,0,0]=3 1927 B12R1.452 COc1ccc(c(c1)O)C(C)O 271570a_203496583355_100000697252 [1,1,0,0,0,0|2,0,0]=4 1928 B12R1.452 CSc1ccc(c(c1)Br)C(=O)N 62a_200010146565_200000210301 [1,1,0,0,0,0|2,0,0]=4 1929 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 1458a_100012278374_200000210301 [1,1,0,0,0,0|1,0,0]=3 1930 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_100012360112_200000210301 [1,1,0,0,0,0|1,0,0]=3 1931 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_200000210301_100012360112 [1,1,0,0,0,0|1,0,0]=3 1932 B12R1.452 CSc1ccc(c(c1)C)C(=O)N 62a_100011327924_200000210301 [1,1,0,0,0,0|2,0,0]=4 1933 B12R1.452 CSc1ccc(c(c1)C)C(=O)N 62a_200000210301_100011327924 [1,1,0,0,0,0|2,0,0]=4 1934 B12R1.452 CSc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100012278374_200025704644 [1,1,0,0,0,0|1,0,0]=3 1935 B12R1.452 CSc1ccc(c(c1)F)C(=O)C 62a_100000690205_200000210301 [1,1,0,0,0,0|1,0,0]=3 1936 B12R1.452 CSc1ccc(c(c1)F)C(=O)N 62a_100000216903_200000210301 [1,1,0,0,0,0|2,0,0]=4 1937 B12R1.452 CSc1ccc(c(c1)F)C(C)N 62a_100000730447_200000210301 [1,1,0,0,0,0|2,0,0]=4 1938 B12R1.452 CSc1ccc(c(c1)F)C(C)N 62a_200000210301_100000730447 [1,1,0,0,0,0|2,0,0]=4 1939 B12R1.452 CSc1ccc(c(c1)N)C(=O)C 62a_100011590516_200000210301 [1,1,0,0,0,0|1,0,0]=3 1940 B12R1.452 CSc1ccc(c(c1)N)C(=O)N 62a_100012349972_200000210301 [1,1,0,0,0,0|2,0,0]=4 1941 B12R1.452 CSc1ccc(c(c1)N)N(C)C 62a_100000737018_200000210301 [1,1,0,0,0,0|2,0,0]=4 1942 B12R1.452 CSc1ccc(c(c1)N)N(C)C 62a_200000210301_100000737018 [1,1,0,0,0,0|2,0,0]=4 1943 B12R1.452 CSc1ccc(c(c1)O)C(=O)N 62a_100011550861_200000210301 [1,1,0,0,0,0|2,0,0]=4 1944 B12R1.452 CSc1cnc(c(c1)F)C(=O)C 62a_100000696590_200000210301 [1,1,0,0,0,0|2,0,0]=4 1945 B12R1.452 CSc1cnc(c(c1)F)C(=O)C 62a_200000210301_100000696590 [1,1,0,0,0,0|2,0,0]=4 1946 B12R1.452 Cc1cc(ccc1C(=O)N)N[13CH3] 34a_200000751758_200025704644 [1,1,0,0,0,0|2,0,0]=4 1947 B12R1.452 Cc1cc(ccc1C(=O)N)N[13CH3] 7a_200000751758_200025704644 [1,1,0,0,0,0|2,0,0]=4 1948 B12R1.452 Cc1cc(ccc1C(=O)N)S[13CH3] 62a_100011327924_200025704644 [1,1,0,0,0,0|2,0,0]=4 1949 B12R1.452 Cc1cc(ccc1C(=O)N)S[13CH3] 62a_200025704644_100011327924 [1,1,0,0,0,0|2,0,0]=4 1950 B12R1.452 Cc1cc(ccc1C(=O)[13CH3])C#N 1458a_100000691869_200025704644 [1,1,0,0,0,0|1,0,1]=4 1951 B12R1.452 Cc1cc(ccc1C(C)C)N[13CH3] 2230a_100000005830_200025704644 [1,1,0,0,0,0|1,0,0]=3 1952 B12R1.452 Cc1cc(ccc1C(C)C)N[13CH3] 34a_100000005830_200025704644 [1,1,0,0,0,0|1,0,0]=3 1953 B12R1.452 Cc1cc(ccc1C(C)C)N[13CH3] 7a_100000005830_200025704644 [1,1,0,0,0,0|1,0,0]=3 1954 B12R1.452 Cc1cc(ccc1C(C)C)O[13CH3] 34a_100000210824_200025704644 [1,1,0,0,0,0|1,0,0]=3 1955 B12R1.452 Cc1cc(ccc1C(C)C)O[13CH3] 7a_100000210824_200025704644 [1,1,0,0,0,0|1,0,0]=3 1956 B12R1.452 Cc1cc(ccc1N(C)C)N[13CH3] 34a_100000738307_200025704644 [1,1,0,0,0,0|2,0,0]=4 1957 B12R1.452 [13CH3]C(=O)c1ccc(cc1Br)C#N 1458a_100010244945_200025704644 [1,1,0,0,0,0|1,0,1]=4 1958 B12R1.452 [13CH3]C(=O)c1ccc(cc1Cl)C#N 1458a_100000100588_200025704644 [1,1,0,0,0,0|1,0,1]=4 1959 B12R1.452 [13CH3]C(=O)c1ccc(cc1Cl)CO 1458a_100015659073_200025704644 [1,1,0,0,0,0|1,0,0]=3 1960 B12R1.452 [13CH3]C(=O)c1ccc(cc1F)C#N 1458a_100000238375_200025704644 [1,1,0,0,0,0|1,0,1]=4 1961 B12R1.452 [13CH3]C(=O)c1ccc(cc1F)CO 1458a_100011934814_200025704644 [1,1,0,0,0,0|1,0,0]=3 1962 B12R1.452 [13CH3]Nc1ccc(c(c1)Cl)C(=O)N 34a_100000737725_200025704644 [1,1,0,0,0,0|2,0,0]=4 1963 B12R1.452 [13CH3]Nc1ccc(c(c1)Cl)C(=O)N 7a_100000737725_200025704644 [1,1,0,0,0,0|2,0,0]=4 1964 B12R1.452 [13CH3]Nc1ccc(c(c1)F)C(=O)N 34a_100000749959_200025704644 [1,1,0,0,0,0|2,0,0]=4 1965 B12R1.452 [13CH3]Nc1ccc(c(c1)F)C(=O)N 7a_100000749959_200025704644 [1,1,0,0,0,0|2,0,0]=4 1966 B12R1.452 [13CH3]Nc1ccc(c(c1)O)C(=O)N 34a_100000223280_200025704644 [1,1,0,0,0,0|2,0,0]=4 1967 B12R1.452 [13CH3]Nc1ccc(c(c1)O)C(=O)N 7a_100000223280_200025704644 [1,1,0,0,0,0|2,0,0]=4 1968 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_200025704644 [1,1,0,0,0,0|2,0,0]=4 1969 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_200025704644 [1,1,0,0,0,0|2,0,0]=4 1970 B12R1.452 [13CH3]Oc1ccc(c(c1)F)C(=O)N 34a_200012186767_200025704644 [1,1,0,0,0,0|2,0,0]=4 1971 B12R1.452 [13CH3]Oc1ccc(c(c1)F)C(=O)N 7a_200012186767_200025704644 [1,1,0,0,0,0|2,0,0]=4 1972 B12R1.452 [13CH3]Oc1ccc(c(c1)N)C(=O)N 34a_100012186684_200025704644 [1,1,0,0,0,0|2,0,0]=4 1973 B12R1.452 [13CH3]Oc1ccc(c(c1)N)C(=O)N 7a_100012186684_200025704644 [1,1,0,0,0,0|2,0,0]=4 1974 B12R1.452 [13CH3]Sc1ccc(c(c1)Br)C(=O)N 62a_200010146565_200025704644 [1,1,0,0,0,0|2,0,0]=4 1975 B12R1.452 [13CH3]Sc1ccc(c(c1)F)C(=O)N 62a_100000216903_200025704644 [1,1,0,0,0,0|2,0,0]=4 1976 B12R1.452 [13CH3]Sc1ccc(c(c1)N)C(=O)N 62a_100012349972_200025704644 [1,1,0,0,0,0|2,0,0]=4 1977 B12R1.452 [13CH3]Sc1ccc(c(c1)O)C(=O)N 62a_100011550861_200025704644 [1,1,0,0,0,0|2,0,0]=4 1978 B14R1.124 C=C(C)c1ccc(c(c1)C)NC(=O)C 271570a_100000694244_100000152120 [0,1,0,0,0,1|0,0,2]=4 1979 B14R1.124 C=C(C)c1ccc(c(c1)C)OC(C)C 271570a_100000694244_200011825982 [0,1,0,0,0,1|1,0,0]=3 1980 B14R1.124 C=C(C)c1ccc(c(c1)Cl)NC(=O)C 271570a_100000694244_100011273303 [0,1,0,0,0,1|0,0,2]=4 1981 B14R1.124 C=C(C)c1ccc(c(c1)F)CN(C)C 271570a_100000694244_100000174744 [0,1,0,0,0,1|2,0,0]=4 1982 B14R1.124 C=C(C)c1ccc(c(c1)F)NC(=O)C 271570a_100000694244_100000155584 [0,1,0,0,0,1|0,0,2]=4 1983 B14R1.124 C=C(C)c1ccc(c(c1)F)OC(=O)C 271570a_100000694244_100009811628 [0,1,0,0,0,1|0,0,2]=4 1984 B14R1.124 C=C(C)c1ccc(c(c1)F)OC(C)C 271570a_100000694244_100009811877 [0,1,0,0,0,1|1,0,0]=3 1985 B14R1.124 C=C(C)c1ccc(c(c1)N)NC(=O)C 271570a_100000694244_100000749274 [0,1,0,0,0,1|0,0,2]=4 1986 B14R1.124 C=C(C)c1ccc(c(c1)N)OC(C)C 271570a_100000694244_100000690130 [0,1,0,0,0,1|1,0,0]=3 1987 B14R1.124 CC(=Cc1ccc(cc1Br)C(=O)N)C 271570a_100102525489_100009814583 [0,1,0,0,0,1|1,0,1]=4 1988 B14R1.124 CC(=Cc1ccc(cc1C)C(=O)N)C 271570a_100102525489_100011218126 [0,1,0,0,0,1|1,0,1]=4 1989 B14R1.124 CC(=Cc1ccc(cc1C)N(C)C)C 271570a_100102525489_100011934168 [0,1,0,0,0,1|2,0,0]=4 1990 B14R1.124 CC(=Cc1ccc(cc1F)C(=O)N)C 271570a_100102525489_100000686215 [0,1,0,0,0,1|1,0,1]=4 1991 B14R1.124 CC(=Cc1ccc(cc1F)[C@H](C)N)C 271570a_100102525489_100134618348 [0,1,0,0,0,1|2,0,0]=4 1992 B14R1.124 CC(=Cc1ccc(cc1O)C(=O)N)C 271570a_100102525489_100012344895 [0,1,0,0,0,1|1,0,1]=4 1993 B14R1.124 CC(=Cc1cnc(cc1C)C(C)C)C 271570a_100102525489_100021475462 [0,1,0,0,0,1|2,0,0]=4 1994 B14R1.124 CC(=O)Cc1ccc(cc1Br)C(=O)C 1458a_100000070787_100010884425 [0,1,0,0,0,1|1,0,1]=4 1995 B14R1.124 CC(=O)Nc1ccc(cc1Br)C(C)C 11a_100011218581_100015343762 [0,1,0,0,0,1|0,0,0]=2 1996 B14R1.124 CC(=O)Nc1ccc(cc1Br)C(C)C 1626a_100011218581_100015343762 [0,1,0,0,0,1|0,0,0]=2 1997 B14R1.124 CC(=O)Nc1ccc(cc1Br)C(C)C 527a_100011218581_100103153847 [0,1,0,0,0,1|0,0,0]=2 1998 B14R1.124 CC(=O)Nc1ccc(cc1Br)N(C)C 11a_200013039233_100015343762 [0,1,0,0,0,1|1,0,0]=3 1999 B14R1.124 CC(=O)Nc1ccc(cc1Br)N(C)C 1626a_200013039233_100015343762 [0,1,0,0,0,1|1,0,0]=3 2000 B14R1.124 CC(=O)Nc1ccc(cc1C)C(=O)C 1458a_200000244242_200000210301 [0,1,0,0,0,1|1,0,1]=4 2001 B14R1.124 CC(=O)Nc1ccc(cc1C)C(=O)[13CH3] 1458a_200000244242_200025704644 [0,1,0,0,0,1|1,0,1]=4 2002 B14R1.124 CC(=O)Nc1ccc(cc1C)N(C)C 11a_100000246174_100015343762 [0,1,0,0,0,1|1,0,0]=3 2003 B14R1.124 CC(=O)Nc1ccc(cc1C)N(C)C 1626a_100000246174_100015343762 [0,1,0,0,0,1|1,0,0]=3 2004 B14R1.124 CC(=O)Nc1ccc(cc1C)N(C)C 22a_100000246174_100000070787 [0,1,0,0,0,1|1,0,0]=3 2005 B14R1.124 CC(=O)Nc1ccc(cc1C)N(C)C 527a_100000246174_100103153847 [0,1,0,0,0,1|1,0,0]=3 2006 B14R1.124 CC(=O)Nc1ccc(cc1I)C(C)C 11a_100012355998_100015343762 [0,1,0,0,0,1|0,0,0]=2 2007 B14R1.124 CC(=O)Nc1ccc(cc1I)C(C)C 1626a_100012355998_100015343762 [0,1,0,0,0,1|0,0,0]=2 2008 B14R1.124 CC(=O)Nc1ccc(cc1I)C(C)C 22a_100012355998_100000070787 [0,1,0,0,0,1|0,0,0]=2 2009 B14R1.124 CC(=O)Nc1ccc(cc1I)C(C)C 527a_100012355998_100103153847 [0,1,0,0,0,1|0,0,0]=2 2010 B14R1.124 CC(=O)Nc1ccc(cc1O)C(=O)C 271570a_203496583355_100009813952 [0,1,0,0,0,1|1,0,1]=4 2011 B14R1.124 CC(=O)Nc1ccc(cc1O)C(C)C 271570a_203496583355_200009992923 [0,1,0,0,0,1|0,0,0]=2 2012 B14R1.124 CC(=O)c1cc(c(cn1)C=C(C)C)C 271570a_100102525489_100011011822 [0,1,0,0,0,1|1,0,1]=4 2013 B14R1.124 CC(=O)c1cc(c(cn1)SC(C)C)C 62a_100000210206_100011011822 [0,1,0,0,0,1|1,0,0]=3 2014 B14R1.124 CC(=O)c1cc(c(cn1)SC(C)C)C 62a_100011011822_100000210206 [0,1,0,0,0,1|1,0,0]=3 2015 B14R1.124 CC(=O)c1ccc(c(c1)Br)C=C(C)C 271570a_100102525489_100010146554 [0,1,0,0,0,1|0,0,1]=3 2016 B14R1.124 CC(=O)c1ccc(c(c1)Br)CN(C)C 2230a_100102631434_100010884425 [0,1,0,0,0,1|1,0,0]=3 2017 B14R1.124 CC(=O)c1ccc(c(c1)Br)CN(C)C 269982a_100102631434_100010884425 [0,1,0,0,0,1|1,0,0]=3 2018 B14R1.124 CC(=O)c1ccc(c(c1)Br)OC(C)C 1458a_100000243735_200000210301 [0,1,0,0,0,1|0,0,0]=2 2019 B14R1.124 CC(=O)c1ccc(c(c1)Br)OC(C)C 34a_100011772453_100000210206 [0,1,0,0,0,1|0,0,0]=2 2020 B14R1.124 CC(=O)c1ccc(c(c1)Br)OC(C)C 7a_100011772453_100000210206 [0,1,0,0,0,1|0,0,0]=2 2021 B14R1.124 CC(=O)c1ccc(c(c1)Br)SC(C)C 62a_100000210206_100010146554 [0,1,0,0,0,1|0,0,0]=2 2022 B14R1.124 CC(=O)c1ccc(c(c1)Br)SC(C)C 62a_100010146554_100000210206 [0,1,0,0,0,1|0,0,0]=2 2023 B14R1.124 CC(=O)c1ccc(c(c1)C)C=C(C)C 271570a_100102525489_100000697869 [0,1,0,0,0,1|0,0,1]=3 2024 B14R1.124 CC(=O)c1ccc(c(c1)C)OC(C)C 1458a_200011734124_200000210301 [0,1,0,0,0,1|0,0,0]=2 2025 B14R1.124 CC(=O)c1ccc(c(c1)C)OC(C)C 34a_100000188726_100000210206 [0,1,0,0,0,1|0,0,0]=2 2026 B14R1.124 CC(=O)c1ccc(c(c1)C)OC(C)C 7a_100000188726_100000210206 [0,1,0,0,0,1|0,0,0]=2 2027 B14R1.124 CC(=O)c1ccc(c(c1)C)SC(C)C 62a_100000210206_100000697869 [0,1,0,0,0,1|0,0,0]=2 2028 B14R1.124 CC(=O)c1ccc(c(c1)C)SC(C)C 62a_100000697869_100000210206 [0,1,0,0,0,1|0,0,0]=2 2029 B14R1.124 CC(=O)c1ccc(c(c1)Cl)OC(C)C 1458a_100011453123_200000210301 [0,1,0,0,0,1|0,0,0]=2 2030 B14R1.124 CC(=O)c1ccc(c(c1)Cl)OC(C)C 34a_100000188625_100000210206 [0,1,0,0,0,1|0,0,0]=2 2031 B14R1.124 CC(=O)c1ccc(c(c1)Cl)OC(C)C 7a_100000188625_100000210206 [0,1,0,0,0,1|0,0,0]=2 2032 B14R1.124 CC(=O)c1ccc(c(c1)F)C=C(C)C 271570a_100102525489_100000690002 [0,1,0,0,0,1|0,0,1]=3 2033 B14R1.124 CC(=O)c1ccc(c(c1)F)OC(C)C 1458a_200011234205_200000210301 [0,1,0,0,0,1|0,0,0]=2 2034 B14R1.124 CC(=O)c1ccc(c(c1)F)OC(C)C 34a_100000751691_100000210206 [0,1,0,0,0,1|0,0,0]=2 2035 B14R1.124 CC(=O)c1ccc(c(c1)F)OC(C)C 7a_100000751691_100000210206 [0,1,0,0,0,1|0,0,0]=2 2036 B14R1.124 CC(=O)c1ccc(c(c1)F)SC(C)C 62a_100000210206_100000690002 [0,1,0,0,0,1|0,0,0]=2 2037 B14R1.124 CC(=O)c1ccc(c(c1)F)SC(C)C 62a_100000690002_100000210206 [0,1,0,0,0,1|0,0,0]=2 2038 B14R1.124 CC(=O)c1ccc(c(c1)I)OC(C)C 1458a_100012355715_200000210301 [0,1,0,0,0,1|0,0,0]=2 2039 B14R1.124 CC(=O)c1ccc(c(c1)N)C=C(C)C 271570a_100102525489_100009816534 [0,1,0,0,0,1|0,0,1]=3 2040 B14R1.124 CC(=O)c1ccc(c(c1)N)OC(C)C 34a_100000117292_100000210206 [0,1,0,0,0,1|0,0,0]=2 2041 B14R1.124 CC(=O)c1ccc(c(c1)N)OC(C)C 7a_100000117292_100000210206 [0,1,0,0,0,1|0,0,0]=2 2042 B14R1.124 CC(=O)c1ccc(c(c1)N)SC(C)C 62a_100009816534_100000210206 [0,1,0,0,0,1|0,0,0]=2 2043 B14R1.124 CC(=O)c1ccc(c(c1)O)OC(F)F 1458a_100010441376_200000210301 [0,1,0,0,0,1|2,0,0]=4 2044 B14R1.124 CC(=O)c1cnc(c(c1)C)C=C(C)C 271570a_100102525489_100009864263 [0,1,0,0,0,1|1,0,1]=4 2045 B14R1.124 CC(=O)c1cnc(c(c1)C)NC(C)C 27a_100138425928_100009864263 [0,1,0,0,0,1|1,0,0]=3 2046 B14R1.124 CC(=O)c1cnc(c(c1)C)SC(C)C 62a_100000210206_100009864263 [0,1,0,0,0,1|1,0,0]=3 2047 B14R1.124 CC(=O)c1cnc(c(c1)C)SC(C)C 62a_100009864263_100000210206 [0,1,0,0,0,1|1,0,0]=3 2048 B14R1.124 CC(C)Nc1ccc(cc1Br)C(=O)N 27a_100138425928_100009814583 [0,1,0,0,0,1|1,0,0]=3 2049 B14R1.124 CC(C)Nc1ccc(cc1Br)C(C)C 2230a_100011218581_100000210206 [0,1,0,0,0,1|1,0,1]=4 2050 B14R1.124 CC(C)Nc1ccc(cc1Br)C(C)C 34a_100011218581_100000210206 [0,1,0,0,0,1|1,0,1]=4 2051 B14R1.124 CC(C)Nc1ccc(cc1Br)C(C)C 7a_100011218581_100000210206 [0,1,0,0,0,1|1,0,1]=4 2052 B14R1.124 CC(C)Nc1ccc(cc1Br)N(C)C 34a_200013039233_100000210206 [0,1,0,0,0,1|2,0,0]=4 2053 B14R1.124 CC(C)Nc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_100000210206 [0,1,0,0,0,1|2,0,0]=4 2054 B14R1.124 CC(C)Nc1ccc(cc1F)C(=O)N 27a_100138425928_100000686215 [0,1,0,0,0,1|1,0,0]=3 2055 B14R1.124 CC(C)Nc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_100000210206 [0,1,0,0,0,1|2,0,0]=4 2056 B14R1.124 CC(C)Nc1ccc(cc1I)C(C)C 34a_100012355998_100000210206 [0,1,0,0,0,1|1,0,1]=4 2057 B14R1.124 CC(C)Nc1ccc(cc1I)C(C)C 7a_100012355998_100000210206 [0,1,0,0,0,1|1,0,1]=4 2058 B14R1.124 CC(C)Oc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000243735_200025704644 [0,1,0,0,0,1|0,0,0]=2 2059 B14R1.124 CC(C)Oc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100000210206 [0,1,0,0,0,1|2,0,0]=4 2060 B14R1.124 CC(C)Oc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100000210206 [0,1,0,0,0,1|2,0,0]=4 2061 B14R1.124 CC(C)Oc1ccc(cc1Cl)C(=O)N 34a_200000192832_100000210206 [0,1,0,0,0,1|1,0,0]=3 2062 B14R1.124 CC(C)Oc1ccc(cc1Cl)C(=O)N 7a_200000192832_100000210206 [0,1,0,0,0,1|1,0,0]=3 2063 B14R1.124 CC(C)Oc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100011453123_200025704644 [0,1,0,0,0,1|0,0,0]=2 2064 B14R1.124 CC(C)Oc1ccc(cc1Cl)C(C)C 34a_100012182850_100000210206 [0,1,0,0,0,1|1,0,1]=4 2065 B14R1.124 CC(C)Oc1ccc(cc1Cl)C(C)C 7a_100012182850_100000210206 [0,1,0,0,0,1|1,0,1]=4 2066 B14R1.124 CC(C)Oc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100000210206 [0,1,0,0,0,1|2,0,0]=4 2067 B14R1.124 CC(C)Oc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100000210206 [0,1,0,0,0,1|2,0,0]=4 2068 B14R1.124 CC(C)Oc1ccc(cc1F)C(=O)[13CH3] 1458a_200011234205_200025704644 [0,1,0,0,0,1|0,0,0]=2 2069 B14R1.124 CC(C)Oc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100000210206 [0,1,0,0,0,1|2,0,0]=4 2070 B14R1.124 CC(C)Oc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100000210206 [0,1,0,0,0,1|2,0,0]=4 2071 B14R1.124 CC(C)Oc1ccc(cc1I)C(=O)[13CH3] 1458a_100012355715_200025704644 [0,1,0,0,0,1|0,0,0]=2 2072 B14R1.124 CC(C)Oc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100000210206 [0,1,0,0,0,1|2,0,0]=4 2073 B14R1.124 CC(C)Oc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100000210206 [0,1,0,0,0,1|2,0,0]=4 2074 B14R1.124 CC(C)Oc1ccc(cc1N)C(C)C 34a_200000187366_100000210206 [0,1,0,0,0,1|1,0,1]=4 2075 B14R1.124 CC(C)Oc1ccc(cc1N)C(C)C 7a_200000187366_100000210206 [0,1,0,0,0,1|1,0,1]=4 2076 B14R1.124 CC(C)Oc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100000210206 [0,1,0,0,0,1|2,0,0]=4 2077 B14R1.124 CC(C)Oc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100000210206 [0,1,0,0,0,1|2,0,0]=4 2078 B14R1.124 CC(C)Sc1ccc(cc1Br)C(=O)N 62a_100000210206_100009814583 [0,1,0,0,0,1|1,0,0]=3 2079 B14R1.124 CC(C)Sc1ccc(cc1Br)C(=O)N 62a_100009814583_100000210206 [0,1,0,0,0,1|1,0,0]=3 2080 B14R1.124 CC(C)Sc1ccc(cc1F)C(=O)N 62a_100000210206_100000686215 [0,1,0,0,0,1|1,0,0]=3 2081 B14R1.124 CC(C)Sc1ccc(cc1F)C(=O)N 62a_100000686215_100000210206 [0,1,0,0,0,1|1,0,0]=3 2082 B14R1.124 CC(C)Sc1ccc(cc1F)[C@H](C)N 62a_100000210206_100134618348 [0,1,0,0,0,1|1,0,1]=4 2083 B14R1.124 CC(C)Sc1ccc(cc1F)[C@H](C)N 62a_100134618348_100000210206 [0,1,0,0,0,1|1,0,1]=4 2084 B14R1.124 CC(C)Sc1ccc(cc1O)C(=O)N 62a_100000210206_100012344895 [0,1,0,0,0,1|1,0,0]=3 2085 B14R1.124 CC(C)Sc1ccc(cc1O)C(=O)N 62a_100012344895_100000210206 [0,1,0,0,0,1|1,0,0]=3 2086 B14R1.124 CC(C)c1ccc(c(c1)Br)CN(C)C 270004a_100102631434_100010158967 [0,1,0,0,0,1|2,0,0]=4 2087 B14R1.124 Cc1cc(ccc1NC(C)C)C(=O)N 27a_100138425928_100011218126 [0,1,0,0,0,1|1,0,0]=3 2088 B14R1.124 Cc1cc(ccc1NC(C)C)C(=O)N 34a_100000746439_100000210206 [0,1,0,0,0,1|1,0,0]=3 2089 B14R1.124 Cc1cc(ccc1NC(C)C)C(=O)N 7a_100000746439_100000210206 [0,1,0,0,0,1|1,0,0]=3 2090 B14R1.124 Cc1cc(ccc1NC(C)C)N(C)C 34a_100000246174_100000210206 [0,1,0,0,0,1|2,0,0]=4 2091 B14R1.124 Cc1cc(ccc1NC(C)C)[N+](=O)[O-] 2230a_100000184110_100000210206 [0,1,0,0,0,1|2,0,0]=4 2092 B14R1.124 Cc1cc(ccc1NC(C)C)[N+](=O)[O-] 34a_100000184110_100000210206 [0,1,0,0,0,1|2,0,0]=4 2093 B14R1.124 Cc1cc(ccc1NC(C)C)[N+](=O)[O-] 7a_100000184110_100000210206 [0,1,0,0,0,1|2,0,0]=4 2094 B14R1.124 Cc1cc(ccc1OC(C)C)C(=O)[13CH3] 1458a_200011734124_200025704644 [0,1,0,0,0,1|0,0,0]=2 2095 B14R1.124 Cc1cc(ccc1OC(C)C)C(C)C 34a_200012180908_100000210206 [0,1,0,0,0,1|1,0,1]=4 2096 B14R1.124 Cc1cc(ccc1OC(C)C)C(C)C 7a_200012180908_100000210206 [0,1,0,0,0,1|1,0,1]=4 2097 B14R1.124 Cc1cc(ccc1OC(C)C)[N+](=O)[O-] 34a_100000744956_100000210206 [0,1,0,0,0,1|2,0,0]=4 2098 B14R1.124 Cc1cc(ccc1OC(C)C)[N+](=O)[O-] 7a_100000744956_100000210206 [0,1,0,0,0,1|2,0,0]=4 2099 B14R1.124 Cc1cc(ccc1SC(C)C)C(=O)N 62a_100000210206_100011218126 [0,1,0,0,0,1|1,0,0]=3 2100 B14R1.124 Cc1cc(ccc1SC(C)C)C(=O)N 62a_100011218126_100000210206 [0,1,0,0,0,1|1,0,0]=3 2101 B14R1.124 Cc1cc(ccc1SC(C)C)N(C)C 62a_100000210206_100011934168 [0,1,0,0,0,1|2,0,0]=4 2102 B14R1.124 Cc1cc(ccc1SC(C)C)N(C)C 62a_100011934168_100000210206 [0,1,0,0,0,1|2,0,0]=4 2103 B14R1.124 [13CH3]C(=O)c1ccc(c(c1)O)OC(F)F 1458a_100010441376_200025704644 [0,1,0,0,0,1|2,0,0]=4 2104 B14R1.414 C=C(C)c1ccc(cc1)CC(C)(F)F 271570a_100000694244_100010238340 [0,1,0,0,0,1|2,0,0]=4 2105 B14R1.414 C=C(C)c1ccc(cc1)C[Si](C)(C)C 271570a_100000694244_100009813299 [0,1,0,0,0,1|1,1,0]=4 2106 B14R1.414 C=C(C)c1ccc(cc1)OC(C)(C)C 271570a_100000694244_100000701926 [0,1,0,0,0,1|1,0,0]=3 2107 B14R1.414 C=C(C)c1ccc(cc1)OC(C)(C)C 34a_100009880102_100000210625 [0,1,0,0,0,1|1,0,0]=3 2108 B14R1.414 C=C(C)c1ccc(cc1)O[Si](C)(C)C 271570a_100000694244_100009813852 [0,1,0,0,0,1|1,1,0]=4 2109 B14R1.414 C=C(C)c1ccc(cc1)SC(C)(C)C 271570a_100000694244_200009816747 [0,1,0,0,0,1|1,0,0]=3 2110 B14R1.414 C=C(C)c1ccc(cc1)SC(C)(C)C 62a_100000185454_100000211941 [0,1,0,0,0,1|1,0,0]=3 2111 B14R1.414 C=C(C)c1ccc(cc1)SC(C)(C)C 62a_100000211941_100000185454 [0,1,0,0,0,1|1,0,0]=3 2112 B14R1.414 C=C(C)c1ccc(nc1)OC(C)(C)C 271570a_100000694244_200000688780 [0,1,0,0,0,1|2,0,0]=4 2113 B14R1.414 CC(=O)c1ccc(cc1)NS(=O)(=O)C 1458a_100000165680_200000210301 [0,1,0,0,0,1|2,0,0]=4 2114 B14R1.414 CC(=O)c1ccc(cc1)OC(C)(C)C 1458a_100000766517_200000210301 [0,1,0,0,0,1|0,0,0]=2 2115 B14R1.414 CC(=O)c1ccc(cc1)OC(C)(C)C 34a_100000185113_100000210625 [0,1,0,0,0,1|0,0,0]=2 2116 B14R1.414 CC(=O)c1ccc(cc1)OC(F)(F)F 1458a_100000183658_200000210301 [0,1,0,0,0,1|2,0,0]=4 2117 B14R1.414 CC(=O)c1ccc(cc1)OC(F)(F)F 34a_100000185113_200103152311 [0,1,0,0,0,1|2,0,0]=4 2118 B14R1.414 CC(=O)c1ccc(cc1)OC(F)(F)F 7a_100000185113_200000243211 [0,1,0,0,0,1|2,0,0]=4 2119 B14R1.414 CC(=O)c1ccc(cc1)SC(C)(C)C 62a_100000185465_100000211941 [0,1,0,0,0,1|0,0,0]=2 2120 B14R1.414 CC(=O)c1ccc(cc1)SC(C)(C)C 62a_100000211941_100000185465 [0,1,0,0,0,1|0,0,0]=2 2121 B14R1.414 CC(=O)c1ccc(cc1)SC(F)(F)F 1458a_100000212317_200000210301 [0,1,0,0,0,1|2,0,0]=4 2122 B14R1.414 CC(=O)c1ccc(cc1)SC(F)(F)F 62a_100000185465_200103152311 [0,1,0,0,0,1|2,0,0]=4 2123 B14R1.414 CC(=O)c1ccc(cc1)SC(F)(F)F 62a_200000243211_100000185465 [0,1,0,0,0,1|2,0,0]=4 2124 B14R1.414 CC(=O)c1ccc(cn1)OC(C)(C)C 34a_100012001710_100000210625 [0,1,0,0,0,1|1,0,0]=3 2125 B14R1.414 CC(=O)c1ccc(cn1)SC(C)(C)C 62a_100000211941_100000686046 [0,1,0,0,0,1|1,0,0]=3 2126 B14R1.414 CC(=O)c1ccc(cn1)SC(C)(C)C 62a_100000686046_100000211941 [0,1,0,0,0,1|1,0,0]=3 2127 B14R1.414 CC(=O)c1ccc(nc1)SC(C)(C)C 62a_100000211941_100000684857 [0,1,0,0,0,1|1,0,0]=3 2128 B14R1.414 CC(=O)c1ccc(nc1)SC(C)(C)C 62a_100000684857_100000211941 [0,1,0,0,0,1|1,0,0]=3 2129 B14R1.414 CC(=O)c1cnc(cn1)SC(C)(C)C 62a_100000211941_100009883172 [0,1,0,0,0,1|2,0,0]=4 2130 B14R1.414 CC(=O)c1cnc(cn1)SC(C)(C)C 62a_100009883172_100000211941 [0,1,0,0,0,1|2,0,0]=4 2131 B14R1.414 CC(=O)c1cnc(nc1)SC(C)(C)C 62a_100000099681_100000211941 [0,1,0,0,0,1|2,0,0]=4 2132 B14R1.414 CC(=O)c1cnc(nc1)SC(C)(C)C 62a_100000211941_100000099681 [0,1,0,0,0,1|2,0,0]=4 2133 B14R1.414 CC(=O)c1ncc(cn1)SC(C)(C)C 62a_100000211941_100010077182 [0,1,0,0,0,1|2,0,0]=4 2134 B14R1.414 CC(=O)c1ncc(cn1)SC(C)(C)C 62a_100010077182_100000211941 [0,1,0,0,0,1|2,0,0]=4 2135 B14R1.414 CC(C)(C)Nc1ccc(cc1)C(=O)N 34a_100000210537_100000210625 [0,1,0,0,0,1|1,0,0]=3 2136 B14R1.414 CC(C)(C)Nc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000210625 [0,1,0,0,0,1|2,0,0]=4 2137 B14R1.414 CC(C)(C)Oc1ccc(cc1)C(=O)N 34a_100000746352_100000210625 [0,1,0,0,0,1|1,0,0]=3 2138 B14R1.414 CC(C)(C)Oc1ccc(cc1)C(=O)[13CH3] 1458a_100000766517_200025704644 [0,1,0,0,0,1|0,0,0]=2 2139 B14R1.414 CC(C)(C)Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000210625 [0,1,0,0,0,1|2,0,0]=4 2140 B14R1.414 CC(C)(C)Sc1ccc(cc1)C(=O)N 62a_100000162191_100000211941 [0,1,0,0,0,1|1,0,0]=3 2141 B14R1.414 CC(C)(C)Sc1ccc(cc1)C(=O)N 62a_100000211941_100000162191 [0,1,0,0,0,1|1,0,0]=3 2142 B14R1.414 CC(C)(C)Sc1ccc(cn1)C(=O)N 62a_100000162237_100000211941 [0,1,0,0,0,1|2,0,0]=4 2143 B14R1.414 CC(C)(C)Sc1ccc(cn1)C(=O)N 62a_100000211941_100000162237 [0,1,0,0,0,1|2,0,0]=4 2144 B14R1.414 CC(C)(C)Sc1ccc(nc1)C(=O)N 62a_100000211941_100011219284 [0,1,0,0,0,1|2,0,0]=4 2145 B14R1.414 CC(C)(C)Sc1ccc(nc1)C(=O)N 62a_100011219284_100000211941 [0,1,0,0,0,1|2,0,0]=4 2146 B14R1.414 CC(C)c1ccc(cc1)NC(C)(C)C 34a_100000210773_100000210625 [0,1,0,0,0,1|1,0,1]=4 2147 B14R1.414 CC(C)c1ccc(cc1)NS(=O)(=O)C 40a_100000210773_100000738038 [0,1,0,0,0,1|1,0,0]=3 2148 B14R1.414 CC(C)c1ccc(cc1)OC(C)(C)C 34a_100000181308_100000210625 [0,1,0,0,0,1|1,0,1]=4 2149 B14R1.414 CC(C)c1ccc(cc1)SC(C)(C)C 62a_100000211941_100000750031 [0,1,0,0,0,1|1,0,1]=4 2150 B14R1.414 CC(C)c1ccc(cc1)SC(C)(C)C 62a_100000750031_100000211941 [0,1,0,0,0,1|1,0,1]=4 2151 B14R1.414 CC(O)c1ccc(cc1)NC(C)(C)C 34a_100011216399_100000210625 [0,1,0,0,0,1|0,0,2]=4 2152 B14R1.414 CC(O)c1ccc(cc1)NS(=O)(=O)C 40a_100011216399_100000738038 [0,1,0,0,0,1|2,0,0]=4 2153 B14R1.414 CC(O)c1ccc(cc1)OC(C)(C)C 34a_100000754508_100000210625 [0,1,0,0,0,1|0,0,2]=4 2154 B14R1.414 CC(O)c1ccc(cc1)SC(C)(C)C 62a_100000211941_100000745893 [0,1,0,0,0,1|0,0,2]=4 2155 B14R1.414 CC(O)c1ccc(cc1)SC(C)(C)C 62a_100000745893_100000211941 [0,1,0,0,0,1|0,0,2]=4 2156 B14R1.414 CN(C)c1ccc(cc1)NC(C)(C)C 34a_100016997997_100000210625 [0,1,0,0,0,1|2,0,0]=4 2157 B14R1.414 CN(C)c1ccc(cc1)NS(=O)(=O)C 40a_100016997997_100000738038 [0,1,0,0,0,1|2,0,0]=4 2158 B14R1.414 CN(C)c1ccc(cc1)OC(C)(C)C 34a_100000718910_100000210625 [0,1,0,0,0,1|2,0,0]=4 2159 B14R1.414 CN(C)c1ccc(cc1)SC(C)(C)C 62a_100000210421_100000211941 [0,1,0,0,0,1|2,0,0]=4 2160 B14R1.414 CN(C)c1ccc(cc1)SC(C)(C)C 62a_100000211941_100000210421 [0,1,0,0,0,1|2,0,0]=4 2161 B14R1.414 CS(=O)(=O)Nc1ccc(cc1)C(=O)[13CH3] 1458a_100000165680_200025704644 [0,1,0,0,0,1|2,0,0]=4 2162 B14R1.414 CS(=O)c1ccc(cc1)OC(C)(C)C 34a_200000064373_100000210625 [0,1,0,0,0,1|1,0,0]=3 2163 B14R1.414 CS(=O)c1ccc(cc1)SC(C)(C)C 62a_100009816266_100000211941 [0,1,0,0,0,1|1,0,0]=3 2164 B14R1.414 C[C@@H](N)c1ccc(cc1)SC(C)(C)C 62a_100000211941_100000720352 [0,1,0,0,0,1|1,0,1]=4 2165 B14R1.414 C[C@@H](N)c1ccc(cc1)SC(C)(C)C 62a_100000720352_100000211941 [0,1,0,0,0,1|1,0,1]=4 2166 B14R1.414 C[C@H](N)c1ccc(cc1)OC(C)(C)C 34a_100161106496_100000210625 [0,1,0,0,0,1|1,0,1]=4 2167 B14R1.414 C[C@H](N)c1ccc(cc1)SC(C)(C)C 62a_100000211941_100000753911 [0,1,0,0,0,1|1,0,1]=4 2168 B14R1.414 C[C@H](N)c1ccc(cc1)SC(C)(C)C 62a_100000753911_100000211941 [0,1,0,0,0,1|1,0,1]=4 2169 B14R1.414 C[S+](C)c1ccc(cc1)OC(C)(C)C 34a_100010188728_100000210625 [0,1,0,0,0,1|2,0,0]=4 2170 B14R1.414 [13CH3]C(=O)c1ccc(cc1)OC(F)(F)F 1458a_100000183658_200025704644 [0,1,0,0,0,1|2,0,0]=4 2171 B14R1.414 [13CH3]C(=O)c1ccc(cc1)SC(F)(F)F 1458a_100000212317_200025704644 [0,1,0,0,0,1|2,0,0]=4 2172 B14R1.717 CC(=Cc1ccc(cc1)C(=O)C#N)C 271570a_100102525489_100009994572 [0,1,0,0,0,1|0,0,2]=4 2173 B14R1.717 CC(=Cc1ccc(cc1)C(=O)C=O)C 271570a_100102525489_100000725942 [0,1,0,0,0,1|0,0,2]=4 2174 B14R1.717 CC(=Cc1ccc(cc1)C(=O)CN)C 271570a_100102525489_100000017248 [0,1,0,0,0,1|0,0,1]=3 2175 B14R1.717 CC(=Cc1ccc(cc1)C(=O)CO)C 271570a_100102525489_100011219529 [0,1,0,0,0,1|0,0,1]=3 2176 B14R1.717 CC(=Cc1ccc(cc1)C(=O)NN)C 271570a_100102525489_100000183614 [0,1,0,0,0,1|1,0,1]=4 2177 B14R1.717 CC(=Cc1ccc(cc1)C(C)C#N)C 271570a_100102525489_100000695319 [0,1,0,0,0,1|1,0,1]=4 2178 B14R1.717 CC(=Cc1ccc(cc1)C(N)CO)C 271570a_100102525489_100000734186 [0,1,0,0,0,1|2,0,0]=4 2179 B14R1.717 CC(=Cc1ccc(cc1)C(O)CN)C 271570a_100102525489_100020626992 [0,1,0,0,0,1|2,0,0]=4 2180 B14R1.717 CC(=Cc1ccc(cc1)C(O)CO)C 271570a_100102525489_200012355997 [0,1,0,0,0,1|2,0,0]=4 2181 B14R1.717 CC(=NO)c1ccc(cc1)OC(C)C 34a_100000164205_100000210206 [0,1,0,0,0,1|0,0,1]=3 2182 B14R1.717 CC(=O)Nc1ccc(cc1)C(=O)CF 1458a_100000185149_100015361967 [0,1,0,0,0,1|1,0,1]=4 2183 B14R1.717 CC(=O)Nc1ccc(cc1)C(C)C#N 11a_100000069498_100015343762 [0,1,0,0,0,1|0,0,1]=3 2184 B14R1.717 CC(=O)Nc1ccc(cc1)C(C)C#N 1626a_100000069498_100015343762 [0,1,0,0,0,1|0,0,1]=3 2185 B14R1.717 CC(=O)Nc1ccc(cc1)C(C)C#N 22a_100000069498_100000070787 [0,1,0,0,0,1|0,0,1]=3 2186 B14R1.717 CC(=O)Nc1ccc(cc1)C(C)C#N 527a_100000069498_100103153847 [0,1,0,0,0,1|0,0,1]=3 2187 B14R1.717 CC(=O)Nc1ccc(cc1)N(C)CF 269982a_100000219403_100015361967 [0,1,0,0,0,1|1,0,0]=3 2188 B14R1.717 CC(=O)Nc1ccc(cc1)N(C)CF 34a_100000219403_100015361967 [0,1,0,0,0,1|1,0,0]=3 2189 B14R1.717 CC(=O)Nc1ccc(cc1)N(C)CF 38a_100000219403_100015361967 [0,1,0,0,0,1|1,0,0]=3 2190 B14R1.717 CC(C)Cc1ccc(cc1)C(=O)CF 1458a_100000185289_100015361967 [0,1,0,0,0,1|0,0,0]=2 2191 B14R1.717 CC(C)Cc1ccc(cc1)C(C)O[13CH3] 34a_100000246501_200025704644 [0,1,0,0,0,1|0,0,2]=4 2192 B14R1.717 CC(C)Cc1ccc(cc1)C(C)O[13CH3] 7a_100000246501_200025704644 [0,1,0,0,0,1|0,0,2]=4 2193 B14R1.717 CC(C)Nc1ccc(cc1)C(=O)NN 27a_100138425928_100000183614 [0,1,0,0,0,1|1,0,0]=3 2194 B14R1.717 CC(C)Nc1ccc(cc1)C(C)C#N 34a_100000069498_100000210206 [0,1,0,0,0,1|1,0,1]=4 2195 B14R1.717 CC(C)Nc1ccc(cc1)C(C)C#N 7a_100000069498_100000210206 [0,1,0,0,0,1|1,0,1]=4 2196 B14R1.717 CC(C)Nc1ccc(cn1)C(=O)NN 27a_100138425928_100000189807 [0,1,0,0,0,1|2,0,0]=4 2197 B14R1.717 CC(C)Oc1ccc(cc1)C(=NO)N 34a_100000231063_100000210206 [0,1,0,0,0,1|1,0,1]=4 2198 B14R1.717 CC(C)Oc1ccc(cc1)C(=O)CBr 7a_100009814261_100000210206 [0,1,0,0,0,1|0,0,0]=2 2199 B14R1.717 CC(C)Oc1ccc(cc1)C(=O)CCl 7a_100000018856_100000210206 [0,1,0,0,0,1|0,0,0]=2 2200 B14R1.717 CC(C)Oc1ccc(cc1)C(=O)CF 1458a_100000182917_100015361967 [0,1,0,0,0,1|0,0,0]=2 2201 B14R1.717 CC(C)Oc1ccc(cc1)C(=O)CF 34a_200010654591_100000210206 [0,1,0,0,0,1|0,0,0]=2 2202 B14R1.717 CC(C)Oc1ccc(cc1)C(=O)CF 7a_200010654591_100000210206 [0,1,0,0,0,1|0,0,0]=2 2203 B14R1.717 CC(C)Oc1ccc(cc1)C(=O)NN 34a_100000185078_100000210206 [0,1,0,0,0,1|1,0,0]=3 2204 B14R1.717 CC(C)Oc1ccc(cc1)C(C)CN 34a_200015188644_100000210206 [0,1,0,0,0,1|1,0,1]=4 2205 B14R1.717 CC(C)Oc1ccc(cc1)C(O)CN 34a_100000067596_100000210206 [0,1,0,0,0,1|0,0,2]=4 2206 B14R1.717 CC(C)Oc1ccc(cc1)[C@H](C)N[13CH3] 2230a_100161155966_200025704644 [0,1,0,0,0,1|1,0,1]=4 2207 B14R1.717 CC(C)Oc1ccc(cc1)[C@H](C)N[13CH3] 34a_100161155966_200025704644 [0,1,0,0,0,1|1,0,1]=4 2208 B14R1.717 CC(C)Sc1ccc(cc1)C(=O)C#N 62a_100000210206_100009994572 [0,1,0,0,0,1|0,0,1]=3 2209 B14R1.717 CC(C)Sc1ccc(cc1)C(=O)C=O 62a_100000210206_100000725942 [0,1,0,0,0,1|0,0,1]=3 2210 B14R1.717 CC(C)Sc1ccc(cc1)C(=O)C=O 62a_100000725942_100000210206 [0,1,0,0,0,1|0,0,1]=3 2211 B14R1.717 CC(C)Sc1ccc(cc1)C(=O)CF 1458a_100000244970_100015361967 [0,1,0,0,0,1|0,0,0]=2 2212 B14R1.717 CC(C)Sc1ccc(cc1)C(=O)CN 62a_100000017248_100000210206 [0,1,0,0,0,1|0,0,0]=2 2213 B14R1.717 CC(C)Sc1ccc(cc1)C(=O)CN 62a_100000210206_100000017248 [0,1,0,0,0,1|0,0,0]=2 2214 B14R1.717 CC(C)Sc1ccc(cc1)C(=O)CO 62a_100000210206_100011219529 [0,1,0,0,0,1|0,0,0]=2 2215 B14R1.717 CC(C)Sc1ccc(cc1)C(=O)CO 62a_100011219529_100000210206 [0,1,0,0,0,1|0,0,0]=2 2216 B14R1.717 CC(C)Sc1ccc(cc1)C(=O)NN 62a_100000183614_100000210206 [0,1,0,0,0,1|1,0,0]=3 2217 B14R1.717 CC(C)Sc1ccc(cc1)C(=O)NN 62a_100000210206_100000183614 [0,1,0,0,0,1|1,0,0]=3 2218 B14R1.717 CC(C)Sc1ccc(cc1)C(C)C#N 62a_100000210206_100000695319 [0,1,0,0,0,1|1,0,1]=4 2219 B14R1.717 CC(C)Sc1ccc(cc1)C(C)C#N 62a_100000695319_100000210206 [0,1,0,0,0,1|1,0,1]=4 2220 B14R1.717 CC(C)Sc1ccc(cc1)C(N)CO 62a_100000210206_100000734186 [0,1,0,0,0,1|1,0,1]=4 2221 B14R1.717 CC(C)Sc1ccc(cc1)C(N)CO 62a_100000734186_100000210206 [0,1,0,0,0,1|1,0,1]=4 2222 B14R1.717 CC(C)Sc1ccc(cc1)C(O)CN 62a_100000210206_100020626992 [0,1,0,0,0,1|0,0,2]=4 2223 B14R1.717 CC(C)Sc1ccc(cc1)C(O)CN 62a_100020626992_100000210206 [0,1,0,0,0,1|0,0,2]=4 2224 B14R1.717 CC(C)Sc1ccc(cc1)C(O)CO 62a_100000210206_200012355997 [0,1,0,0,0,1|0,0,2]=4 2225 B14R1.717 CC(C)Sc1ccc(cc1)C(O)CO 62a_200012355997_100000210206 [0,1,0,0,0,1|0,0,2]=4 2226 B14R1.717 CC(C)Sc1ccc(cn1)C(=O)NN 62a_100000189807_100000210206 [0,1,0,0,0,1|2,0,0]=4 2227 B14R1.717 CC(C)Sc1ccc(cn1)C(=O)NN 62a_100000210206_100000189807 [0,1,0,0,0,1|2,0,0]=4 2228 B14R1.717 CC(C)Sc1ccc(nc1)C(=O)NN 62a_100000210206_100011781063 [0,1,0,0,0,1|2,0,0]=4 2229 B14R1.717 CC(C)Sc1ccc(nc1)C(=O)NN 62a_100011781063_100000210206 [0,1,0,0,0,1|2,0,0]=4 2230 B14R1.717 CCC(=O)c1ccc(cc1)C=C(C)C 271570a_100102525489_100000211647 [0,1,0,0,0,1|0,0,1]=3 2231 B14R1.717 CCC(=O)c1ccc(cc1)CC(C)C 1458a_100000185289_100000210202 [0,1,0,0,0,1|0,0,0]=2 2232 B14R1.717 CCC(=O)c1ccc(cc1)CN(C)C 1458a_100000749272_100000210202 [0,1,0,0,0,1|1,0,0]=3 2233 B14R1.717 CCC(=O)c1ccc(cc1)NC(=O)C 1458a_100000185149_100000210202 [0,1,0,0,0,1|1,0,1]=4 2234 B14R1.717 CCC(=O)c1ccc(cc1)OC(C)C 1458a_100000182917_100000210202 [0,1,0,0,0,1|0,0,0]=2 2235 B14R1.717 CCC(=O)c1ccc(cc1)OC(C)C 34a_100000212119_100000210206 [0,1,0,0,0,1|0,0,0]=2 2236 B14R1.717 CCC(=O)c1ccc(cc1)OC(C)C 7a_100000212119_100000210206 [0,1,0,0,0,1|0,0,0]=2 2237 B14R1.717 CCC(=O)c1ccc(cc1)OC(F)F 1458a_100000183673_100000210202 [0,1,0,0,0,1|2,0,0]=4 2238 B14R1.717 CCC(=O)c1ccc(cc1)SC(C)C 1458a_100000244970_100000210202 [0,1,0,0,0,1|0,0,0]=2 2239 B14R1.717 CCC(=O)c1ccc(cc1)SC(C)C 62a_100000210206_100000211647 [0,1,0,0,0,1|0,0,0]=2 2240 B14R1.717 CCC(=O)c1ccc(cc1)SC(C)C 62a_100000211647_100000210206 [0,1,0,0,0,1|0,0,0]=2 2241 B14R1.717 CCC(=O)c1ccc(cc1)SC(F)F 1458a_100000735404_100000210202 [0,1,0,0,0,1|2,0,0]=4 2242 B14R1.717 CCC(=O)c1ccc(cn1)C=C(C)C 271570a_100102525489_100012351654 [0,1,0,0,0,1|1,0,1]=4 2243 B14R1.717 CCC(=O)c1ccc(cn1)SC(C)C 62a_100000210206_100012351654 [0,1,0,0,0,1|1,0,0]=3 2244 B14R1.717 CCC(=O)c1ccc(cn1)SC(C)C 62a_100012351654_100000210206 [0,1,0,0,0,1|1,0,0]=3 2245 B14R1.717 CCC(=O)c1ncc(cn1)SC(C)C 62a_100000210206_200010116844 [0,1,0,0,0,1|2,0,0]=4 2246 B14R1.717 CCC(=O)c1ncc(cn1)SC(C)C 62a_200010116844_100000210206 [0,1,0,0,0,1|2,0,0]=4 2247 B14R1.717 CCC(C)c1ccc(cc1)C=C(C)C 271570a_100102525489_100011221364 [0,1,0,0,0,1|1,0,0]=3 2248 B14R1.717 CCC(C)c1ccc(cc1)NC(=O)C 11a_100000211316_100015343762 [0,1,0,0,0,1|0,0,0]=2 2249 B14R1.717 CCC(C)c1ccc(cc1)NC(=O)C 1626a_100000211316_100015343762 [0,1,0,0,0,1|0,0,0]=2 2250 B14R1.717 CCC(C)c1ccc(cc1)NC(=O)C 22a_100000211316_100000070787 [0,1,0,0,0,1|0,0,0]=2 2251 B14R1.717 CCC(C)c1ccc(cc1)NC(=O)C 527a_100000211316_100103153847 [0,1,0,0,0,1|0,0,0]=2 2252 B14R1.717 CCC(C)c1ccc(cc1)NC(C)C 2230a_100000211316_100000210206 [0,1,0,0,0,1|1,0,1]=4 2253 B14R1.717 CCC(C)c1ccc(cc1)NC(C)C 34a_100000211316_100000210206 [0,1,0,0,0,1|1,0,1]=4 2254 B14R1.717 CCC(C)c1ccc(cc1)NC(C)C 7a_100000211316_100000210206 [0,1,0,0,0,1|1,0,1]=4 2255 B14R1.717 CCC(C)c1ccc(cc1)OC(C)C 34a_100000211540_100000210206 [0,1,0,0,0,1|1,0,1]=4 2256 B14R1.717 CCC(C)c1ccc(cc1)OC(C)C 7a_100000211540_100000210206 [0,1,0,0,0,1|1,0,1]=4 2257 B14R1.717 CCC(C)c1ccc(cc1)SC(C)C 62a_100000210206_100011221364 [0,1,0,0,0,1|1,0,1]=4 2258 B14R1.717 CCC(C)c1ccc(cc1)SC(C)C 62a_100011221364_100000210206 [0,1,0,0,0,1|1,0,1]=4 2259 B14R1.717 CCC(N)c1ccc(cc1)OC(C)C 34a_100015187210_100000210206 [0,1,0,0,0,1|1,0,1]=4 2260 B14R1.717 CCC(O)c1ccc(cc1)C=C(C)C 271570a_100102525489_100000246506 [0,1,0,0,0,1|2,0,0]=4 2261 B14R1.717 CCC(O)c1ccc(cc1)SC(C)C 62a_100000210206_100000246506 [0,1,0,0,0,1|0,0,2]=4 2262 B14R1.717 CCC(O)c1ccc(cc1)SC(C)C 62a_100000246506_100000210206 [0,1,0,0,0,1|0,0,2]=4 2263 B14R1.717 CCN(C)c1ccc(cc1)NC(=O)C 2230a_100000219403_100000210202 [0,1,0,0,0,1|1,0,0]=3 2264 B14R1.717 CCN(C)c1ccc(cc1)NC(=O)C 269982a_100000219403_100000204670 [0,1,0,0,0,1|1,0,0]=3 2265 B14R1.717 CCN(C)c1ccc(cc1)NC(=O)C 34a_100000219403_100000210202 [0,1,0,0,0,1|1,0,0]=3 2266 B14R1.717 CCN(C)c1ccc(cc1)NC(=O)C 38a_100000219403_100000204670 [0,1,0,0,0,1|1,0,0]=3 2267 B14R1.717 CC[C@H](N)c1ccc(cc1)C=C(C)C 271570a_100102525489_100025736560 [0,1,0,0,0,1|2,0,0]=4 2268 B14R1.717 CC[C@H](N)c1ccc(cc1)SC(C)C 62a_100000210206_100025736560 [0,1,0,0,0,1|1,0,1]=4 2269 B14R1.717 CC[C@H](N)c1ccc(cc1)SC(C)C 62a_100025736560_100000210206 [0,1,0,0,0,1|1,0,1]=4 2270 B14R1.717 CN(C)Cc1ccc(cc1)C(=O)CF 1458a_100000749272_100015361967 [0,1,0,0,0,1|1,0,0]=3 2271 B14R1.717 CNC(=O)c1ccc(cc1)C=C(C)C 271570a_100102525489_100000155074 [0,1,0,0,0,1|0,0,1]=3 2272 B14R1.717 CNC(=O)c1ccc(cc1)CC(=O)C 1458a_100000070787_100000753832 [0,1,0,0,0,1|1,0,1]=4 2273 B14R1.717 CNC(=O)c1ccc(cc1)CC(C)C 11a_106832991635_100000185289 [0,1,0,0,0,1|0,0,0]=2 2274 B14R1.717 CNC(=O)c1ccc(cc1)CC(C)C 1626a_100102657272_100000185289 [0,1,0,0,0,1|0,0,0]=2 2275 B14R1.717 CNC(=O)c1ccc(cc1)CC(C)C 240690a_100102657272_100000185289 [0,1,0,0,0,1|0,0,0]=2 2276 B14R1.717 CNC(=O)c1ccc(cc1)CC(C)C 527a_100102657272_100000185289 [0,1,0,0,0,1|0,0,0]=2 2277 B14R1.717 CNC(=O)c1ccc(cc1)CN(C)C 11a_106832991635_100000749272 [0,1,0,0,0,1|1,0,0]=3 2278 B14R1.717 CNC(=O)c1ccc(cc1)CN(C)C 1626a_100102657272_100000749272 [0,1,0,0,0,1|1,0,0]=3 2279 B14R1.717 CNC(=O)c1ccc(cc1)CN(C)C 2230a_100102631434_100000753832 [0,1,0,0,0,1|1,0,0]=3 2280 B14R1.717 CNC(=O)c1ccc(cc1)CN(C)C 240690a_100102657272_100000749272 [0,1,0,0,0,1|1,0,0]=3 2281 B14R1.717 CNC(=O)c1ccc(cc1)CN(C)C 269982a_100102631434_100000753832 [0,1,0,0,0,1|1,0,0]=3 2282 B14R1.717 CNC(=O)c1ccc(cc1)CN(C)C 270004a_100102631434_100000043907 [0,1,0,0,0,1|1,0,0]=3 2283 B14R1.717 CNC(=O)c1ccc(cc1)CN(C)C 527a_100102657272_100000749272 [0,1,0,0,0,1|1,0,0]=3 2284 B14R1.717 CNC(=O)c1ccc(cc1)NC(=O)C 11a_100000184841_100015343762 [0,1,0,0,0,1|1,0,1]=4 2285 B14R1.717 CNC(=O)c1ccc(cc1)NC(=O)C 11a_106832991635_100000185149 [0,1,0,0,0,1|1,0,1]=4 2286 B14R1.717 CNC(=O)c1ccc(cc1)NC(=O)C 1626a_100000184841_100015343762 [0,1,0,0,0,1|1,0,1]=4 2287 B14R1.717 CNC(=O)c1ccc(cc1)NC(=O)C 1626a_100102657272_100000185149 [0,1,0,0,0,1|1,0,1]=4 2288 B14R1.717 CNC(=O)c1ccc(cc1)NC(=O)C 22a_100000184841_100000070787 [0,1,0,0,0,1|1,0,1]=4 2289 B14R1.717 CNC(=O)c1ccc(cc1)NC(=O)C 240690a_100102657272_100000185149 [0,1,0,0,0,1|1,0,1]=4 2290 B14R1.717 CNC(=O)c1ccc(cc1)NC(=O)C 527a_100000184841_100103153847 [0,1,0,0,0,1|1,0,1]=4 2291 B14R1.717 CNC(=O)c1ccc(cc1)NC(=O)C 527a_100102657272_100000185149 [0,1,0,0,0,1|1,0,1]=4 2292 B14R1.717 CNC(=O)c1ccc(cc1)NC(C)C 2230a_100000184841_100000210206 [0,1,0,0,0,1|0,0,0]=2 2293 B14R1.717 CNC(=O)c1ccc(cc1)NC(C)C 27a_100138425928_100000155074 [0,1,0,0,0,1|0,0,0]=2 2294 B14R1.717 CNC(=O)c1ccc(cc1)NC(C)C 34a_100000184841_100000210206 [0,1,0,0,0,1|0,0,0]=2 2295 B14R1.717 CNC(=O)c1ccc(cc1)OC(=O)C 11a_106832991635_100000188978 [0,1,0,0,0,1|1,0,1]=4 2296 B14R1.717 CNC(=O)c1ccc(cc1)OC(=O)C 1626a_100102657272_100000188978 [0,1,0,0,0,1|1,0,1]=4 2297 B14R1.717 CNC(=O)c1ccc(cc1)OC(=O)C 240690a_100102657272_100000188978 [0,1,0,0,0,1|1,0,1]=4 2298 B14R1.717 CNC(=O)c1ccc(cc1)OC(C)C 11a_106832991635_100000182917 [0,1,0,0,0,1|0,0,0]=2 2299 B14R1.717 CNC(=O)c1ccc(cc1)OC(C)C 1626a_100102657272_100000182917 [0,1,0,0,0,1|0,0,0]=2 2300 B14R1.717 CNC(=O)c1ccc(cc1)OC(C)C 240690a_100102657272_100000182917 [0,1,0,0,0,1|0,0,0]=2 2301 B14R1.717 CNC(=O)c1ccc(cc1)OC(C)C 34a_100000192141_100000210206 [0,1,0,0,0,1|0,0,0]=2 2302 B14R1.717 CNC(=O)c1ccc(cc1)OC(C)C 527a_100102657272_100000182917 [0,1,0,0,0,1|0,0,0]=2 2303 B14R1.717 CNC(=O)c1ccc(cc1)OC(C)C 7a_100000192141_100000210206 [0,1,0,0,0,1|0,0,0]=2 2304 B14R1.717 CNC(=O)c1ccc(cc1)OC(F)F 11a_106832991635_100000183673 [0,1,0,0,0,1|2,0,0]=4 2305 B14R1.717 CNC(=O)c1ccc(cc1)OC(F)F 1626a_100102657272_100000183673 [0,1,0,0,0,1|2,0,0]=4 2306 B14R1.717 CNC(=O)c1ccc(cc1)OC(F)F 240690a_100102657272_100000183673 [0,1,0,0,0,1|2,0,0]=4 2307 B14R1.717 CNC(=O)c1ccc(cc1)OC(F)F 527a_100102657272_100000183673 [0,1,0,0,0,1|2,0,0]=4 2308 B14R1.717 CNC(=O)c1ccc(cc1)SC(C)C 11a_106832991635_100000244970 [0,1,0,0,0,1|0,0,0]=2 2309 B14R1.717 CNC(=O)c1ccc(cc1)SC(C)C 1626a_100102657272_100000244970 [0,1,0,0,0,1|0,0,0]=2 2310 B14R1.717 CNC(=O)c1ccc(cc1)SC(C)C 240690a_100102657272_100000244970 [0,1,0,0,0,1|0,0,0]=2 2311 B14R1.717 CNC(=O)c1ccc(cc1)SC(C)C 527a_100102657272_100000244970 [0,1,0,0,0,1|0,0,0]=2 2312 B14R1.717 CNC(=O)c1ccc(cc1)SC(C)C 62a_100000155074_100000210206 [0,1,0,0,0,1|0,0,0]=2 2313 B14R1.717 CNC(=O)c1ccc(cc1)SC(C)C 62a_100000210206_100000155074 [0,1,0,0,0,1|0,0,0]=2 2314 B14R1.717 CNC(=O)c1ccc(cc1)SC(F)F 11a_106832991635_100000735404 [0,1,0,0,0,1|2,0,0]=4 2315 B14R1.717 CNC(=O)c1ccc(cc1)SC(F)F 1626a_100102657272_100000735404 [0,1,0,0,0,1|2,0,0]=4 2316 B14R1.717 CNC(=O)c1ccc(cc1)SC(F)F 240690a_100102657272_100000735404 [0,1,0,0,0,1|2,0,0]=4 2317 B14R1.717 CNC(=O)c1ccc(cc1)SC(F)F 527a_100102657272_100000735404 [0,1,0,0,0,1|2,0,0]=4 2318 B14R1.717 CNC(=O)c1ccc(cn1)C=C(C)C 271570a_100102525489_100011781262 [0,1,0,0,0,1|1,0,1]=4 2319 B14R1.717 CNC(=O)c1ccc(cn1)NC(C)C 27a_100138425928_100011781262 [0,1,0,0,0,1|1,0,0]=3 2320 B14R1.717 CNC(=O)c1ccc(cn1)OC(C)C 34a_100009861314_100000210206 [0,1,0,0,0,1|1,0,0]=3 2321 B14R1.717 CNC(=O)c1ccc(cn1)OC(C)C 7a_100009861314_100000210206 [0,1,0,0,0,1|1,0,0]=3 2322 B14R1.717 CNC(=O)c1ccc(cn1)SC(C)C 62a_100000210206_100011781262 [0,1,0,0,0,1|1,0,0]=3 2323 B14R1.717 CNC(=O)c1ccc(cn1)SC(C)C 62a_100011781262_100000210206 [0,1,0,0,0,1|1,0,0]=3 2324 B14R1.717 CNC(=O)c1ccc(nc1)C=C(C)C 271570a_100102525489_100000159860 [0,1,0,0,0,1|1,0,1]=4 2325 B14R1.717 CNC(=O)c1ccc(nc1)NC(C)C 27a_100138425928_100000159860 [0,1,0,0,0,1|1,0,0]=3 2326 B14R1.717 CNC(=O)c1ccc(nc1)SC(C)C 62a_100000159860_100000210206 [0,1,0,0,0,1|1,0,0]=3 2327 B14R1.717 CNC(=O)c1ccc(nc1)SC(C)C 62a_100000210206_100000159860 [0,1,0,0,0,1|1,0,0]=3 2328 B14R1.717 CNC(=O)c1ncc(cn1)NC(C)C 27a_100138425928_200010127873 [0,1,0,0,0,1|2,0,0]=4 2329 B14R1.717 CNC(=O)c1ncc(cn1)SC(C)C 62a_100000210206_200010127873 [0,1,0,0,0,1|2,0,0]=4 2330 B14R1.717 CNC(=O)c1ncc(cn1)SC(C)C 62a_200010127873_100000210206 [0,1,0,0,0,1|2,0,0]=4 2331 B14R1.717 CNC(C)c1ccc(cc1)C=C(C)C 271570a_100102525489_100000231103 [0,1,0,0,0,1|1,0,0]=3 2332 B14R1.717 CNC(C)c1ccc(cc1)CC(C)C 269862a_106832991636_100000211574 [0,1,0,0,0,1|1,0,1]=4 2333 B14R1.717 CNC(C)c1ccc(cc1)NC(=O)C 269862a_106832991636_100000152756 [0,1,0,0,0,1|0,0,0]=2 2334 B14R1.717 CNC(C)c1ccc(cc1)NC(=S)N 269862a_106832991636_200000030941 [0,1,0,0,0,1|1,1,0]=4 2335 B14R1.717 CNC(C)c1ccc(cc1)OC(=O)C 269862a_106832991636_100000001828 [0,1,0,0,0,1|0,0,0]=2 2336 B14R1.717 CNC(C)c1ccc(cc1)OC(C)C 269862a_106832991636_100000169861 [0,1,0,0,0,1|1,0,1]=4 2337 B14R1.717 CNC(C)c1ccc(cc1)SC(C)C 62a_100000210206_100000231103 [0,1,0,0,0,1|1,0,1]=4 2338 B14R1.717 CNC(C)c1ccc(cc1)SC(C)C 62a_100000231103_100000210206 [0,1,0,0,0,1|1,0,1]=4 2339 B14R1.717 CN[C@@H](C)c1ccc(cc1)OC(C)C 2230a_100161155966_200000210301 [0,1,0,0,0,1|1,0,1]=4 2340 B14R1.717 CN[C@@H](C)c1ccc(cc1)OC(C)C 34a_100161155966_200000210301 [0,1,0,0,0,1|1,0,1]=4 2341 B14R1.717 COC(=O)c1ccc(cc1)C=C(C)C 271570a_100102525489_100000150774 [0,1,0,0,0,1|0,0,1]=3 2342 B14R1.717 COC(=O)c1ccc(cc1)CC(=O)C 1458a_100000070787_100000735637 [0,1,0,0,0,1|1,0,1]=4 2343 B14R1.717 COC(=O)c1ccc(cc1)CC(=O)C 1458a_100012277402_200000210301 [0,1,0,0,0,1|1,0,1]=4 2344 B14R1.717 COC(=O)c1ccc(cc1)CC(=O)[13CH3] 1458a_100012277402_200025704644 [0,1,0,0,0,1|1,0,1]=4 2345 B14R1.717 COC(=O)c1ccc(cc1)CN(C)C 2230a_100000737656_200000210301 [0,1,0,0,0,1|1,0,0]=3 2346 B14R1.717 COC(=O)c1ccc(cc1)CN(C)C 2230a_100102631434_100000735637 [0,1,0,0,0,1|1,0,0]=3 2347 B14R1.717 COC(=O)c1ccc(cc1)CN(C)C 269982a_100000737656_200000210301 [0,1,0,0,0,1|1,0,0]=3 2348 B14R1.717 COC(=O)c1ccc(cc1)CN(C)C 269982a_100102631434_100000735637 [0,1,0,0,0,1|1,0,0]=3 2349 B14R1.717 COC(=O)c1ccc(cc1)CN(C)C 270004a_100102631434_100000148700 [0,1,0,0,0,1|1,0,0]=3 2350 B14R1.717 COC(=O)c1ccc(cc1)CN(C)[13CH3] 2230a_100000737656_200025704644 [0,1,0,0,0,1|1,0,0]=3 2351 B14R1.717 COC(=O)c1ccc(cc1)CN(C)[13CH3] 269982a_100000737656_200025704644 [0,1,0,0,0,1|1,0,0]=3 2352 B14R1.717 COC(=O)c1ccc(cc1)NC(=O)C 188690a_100016994500_100015343762 [0,1,0,0,0,1|1,0,1]=4 2353 B14R1.717 COC(=O)c1ccc(cc1)OC(C)C 34a_100000150123_100000210206 [0,1,0,0,0,1|0,0,0]=2 2354 B14R1.717 COC(=O)c1ccc(cc1)OC(C)C 7a_100000150123_100000210206 [0,1,0,0,0,1|0,0,0]=2 2355 B14R1.717 COC(=O)c1ccc(cc1)SC(C)C 62a_100000150774_100000210206 [0,1,0,0,0,1|0,0,0]=2 2356 B14R1.717 COC(=O)c1ccc(cc1)SC(C)C 62a_100000210206_100000150774 [0,1,0,0,0,1|0,0,0]=2 2357 B14R1.717 COC(=O)c1ccc(cn1)C=C(C)C 271570a_100102525489_100000690920 [0,1,0,0,0,1|1,0,1]=4 2358 B14R1.717 COC(=O)c1ccc(cn1)CN(C)C 2230a_100102631434_100010177729 [0,1,0,0,0,1|2,0,0]=4 2359 B14R1.717 COC(=O)c1ccc(cn1)CN(C)C 269982a_100102631434_100010177729 [0,1,0,0,0,1|2,0,0]=4 2360 B14R1.717 COC(=O)c1ccc(cn1)CN(C)C 270004a_100102631434_102516457225 [0,1,0,0,0,1|2,0,0]=4 2361 B14R1.717 COC(=O)c1ccc(cn1)OC(C)C 34a_100011997255_100000210206 [0,1,0,0,0,1|1,0,0]=3 2362 B14R1.717 COC(=O)c1ccc(cn1)OC(C)C 7a_100011997255_100000210206 [0,1,0,0,0,1|1,0,0]=3 2363 B14R1.717 COC(=O)c1ccc(cn1)SC(C)C 62a_100000210206_100102712061 [0,1,0,0,0,1|1,0,0]=3 2364 B14R1.717 COC(=O)c1ccc(cn1)SC(C)C 62a_100102712061_100000210206 [0,1,0,0,0,1|1,0,0]=3 2365 B14R1.717 COC(=O)c1ccc(nc1)C=C(C)C 271570a_100102525489_100000733799 [0,1,0,0,0,1|1,0,1]=4 2366 B14R1.717 COC(=O)c1ccc(nc1)CN(C)C 2230a_100102631434_100000063545 [0,1,0,0,0,1|2,0,0]=4 2367 B14R1.717 COC(=O)c1ccc(nc1)CN(C)C 269982a_100102631434_100000063545 [0,1,0,0,0,1|2,0,0]=4 2368 B14R1.717 COC(=O)c1ccc(nc1)CN(C)C 270004a_100102631434_100000762506 [0,1,0,0,0,1|2,0,0]=4 2369 B14R1.717 COC(=O)c1ccc(nc1)NC(C)C 27a_100138425928_100000733799 [0,1,0,0,0,1|1,0,0]=3 2370 B14R1.717 COC(=O)c1ccc(nc1)SC(C)C 62a_100000210206_100000733799 [0,1,0,0,0,1|1,0,0]=3 2371 B14R1.717 COC(=O)c1ccc(nc1)SC(C)C 62a_100000733799_100000210206 [0,1,0,0,0,1|1,0,0]=3 2372 B14R1.717 COC(=O)c1ccc(nn1)NC(C)C 27a_100138425928_100000738951 [0,1,0,0,0,1|2,0,0]=4 2373 B14R1.717 COC(=O)c1ccc(nn1)SC(C)C 62a_100000210206_100000738951 [0,1,0,0,0,1|2,0,0]=4 2374 B14R1.717 COC(=O)c1ccc(nn1)SC(C)C 62a_100000738951_100000210206 [0,1,0,0,0,1|2,0,0]=4 2375 B14R1.717 COC(=O)c1cnc(cn1)NC(C)C 27a_100138425928_100010219404 [0,1,0,0,0,1|2,0,0]=4 2376 B14R1.717 COC(=O)c1cnc(cn1)SC(C)C 62a_100000210206_100010219404 [0,1,0,0,0,1|2,0,0]=4 2377 B14R1.717 COC(=O)c1cnc(cn1)SC(C)C 62a_100010219404_100000210206 [0,1,0,0,0,1|2,0,0]=4 2378 B14R1.717 COC(=O)c1cnc(nc1)NC(C)C 27a_100138425928_100000729365 [0,1,0,0,0,1|2,0,0]=4 2379 B14R1.717 COC(=O)c1cnc(nc1)SC(C)C 62a_100000210206_100000729365 [0,1,0,0,0,1|2,0,0]=4 2380 B14R1.717 COC(=O)c1cnc(nc1)SC(C)C 62a_100000729365_100000210206 [0,1,0,0,0,1|2,0,0]=4 2381 B14R1.717 COC(=O)c1ncc(cn1)SC(C)C 62a_100000210206_100000690087 [0,1,0,0,0,1|2,0,0]=4 2382 B14R1.717 COC(=O)c1ncc(cn1)SC(C)C 62a_100000690087_100000210206 [0,1,0,0,0,1|2,0,0]=4 2383 B14R1.717 COC(C)c1ccc(cc1)C=C(C)C 271570a_100102525489_100010254937 [0,1,0,0,0,1|1,0,0]=3 2384 B14R1.717 COC(C)c1ccc(cc1)CC(C)C 34a_100000246501_200000210301 [0,1,0,0,0,1|0,0,2]=4 2385 B14R1.717 COC(C)c1ccc(cc1)CC(C)C 7a_100000246501_200000210301 [0,1,0,0,0,1|0,0,2]=4 2386 B14R1.717 COC(C)c1ccc(cc1)OC(C)C 34a_200010658654_100000210206 [0,1,0,0,0,1|0,0,2]=4 2387 B14R1.717 COC(C)c1ccc(cc1)OC(C)C 7a_200010658654_100000210206 [0,1,0,0,0,1|0,0,2]=4 2388 B14R1.717 COC(C)c1ccc(cc1)SC(C)C 62a_100000210206_100010254937 [0,1,0,0,0,1|0,0,2]=4 2389 B14R1.717 COC(C)c1ccc(cc1)SC(C)C 62a_100010254937_100000210206 [0,1,0,0,0,1|0,0,2]=4 2390 B14R1.717 O=C(CF)c1ccc(cc1)OC(F)F 1458a_100000183673_100015361967 [0,1,0,0,0,1|2,0,0]=4 2391 B14R1.717 O=C(CF)c1ccc(cc1)SC(F)F 1458a_100000735404_100015361967 [0,1,0,0,0,1|2,0,0]=4 2392 B14R1.806 CC(=Cc1ccc(cc1)C(C)(C)C)C 271570a_100102525489_100011215385 [0,1,0,0,0,1|1,0,0]=3 2393 B14R1.806 CC(=Cc1ccc(cc1)C(C)(C)N)C 271570a_100102525489_100000739617 [0,1,0,0,0,1|1,0,0]=3 2394 B14R1.806 CC(=Cc1ccc(cc1)C(C)(C)O)C 271570a_100102525489_100000753367 [0,1,0,0,0,1|1,0,0]=3 2395 B14R1.806 CC(=Cc1ccc(cc1)C(C)(F)F)C 271570a_100102525489_100009817129 [0,1,0,0,0,1|2,0,0]=4 2396 B14R1.806 CC(=Cc1ccc(cc1)S(=O)(=O)C)C 271570a_100102525489_100000765142 [0,1,0,0,0,1|1,0,1]=4 2397 B14R1.806 CC(=Cc1ccc(cc1)[Si](C)(C)C)C 271570a_100102525489_100009813420 [0,1,0,0,0,1|1,1,0]=4 2398 B14R1.806 CC(=Cc1ccc(cn1)C(C)(C)C)C 271570a_100102525489_100000686854 [0,1,0,0,0,1|2,0,0]=4 2399 B14R1.806 CC(=Cc1ccc(cn1)C(C)(C)O)C 271570a_100102525489_100010080785 [0,1,0,0,0,1|2,0,0]=4 2400 B14R1.806 CC(=Cc1ccc(nc1)C(C)(C)C)C 271570a_100102525489_100010245212 [0,1,0,0,0,1|2,0,0]=4 2401 B14R1.806 CC(=Cc1ccc(nc1)C(C)(C)O)C 271570a_100102525489_100010246419 [0,1,0,0,0,1|2,0,0]=4 2402 B14R1.806 CC(=O)Cc1ccc(cc1)C(C)(C)C 1458a_100000070787_100000212263 [0,1,0,0,0,1|0,0,0]=2 2403 B14R1.806 CC(=O)Cc1ccc(cc1)C(C)(C)C 1458a_100000186723_200000210301 [0,1,0,0,0,1|0,0,0]=2 2404 B14R1.806 CC(=O)Cc1ccc(cc1)C(F)(F)F 1458a_100000070787_100000217503 [0,1,0,0,0,1|2,0,0]=4 2405 B14R1.806 CC(=O)Cc1ccc(cc1)C(F)(F)F 1458a_100000233766_200000210301 [0,1,0,0,0,1|2,0,0]=4 2406 B14R1.806 CC(=O)Cc1ccc(cc1)S(=O)(=O)C 1458a_100000070787_100000717844 [0,1,0,0,0,1|2,0,0]=4 2407 B14R1.806 CC(=O)Cc1ccc(cc1)S(=O)(=O)C 1458a_100011219842_200000210301 [0,1,0,0,0,1|2,0,0]=4 2408 B14R1.806 CC(=O)Nc1ccc(cc1)C(C)(C)C 11a_100000210346_100015343762 [0,1,0,0,0,1|0,0,0]=2 2409 B14R1.806 CC(=O)Nc1ccc(cc1)C(C)(C)C 1626a_100000210346_100015343762 [0,1,0,0,0,1|0,0,0]=2 2410 B14R1.806 CC(=O)Nc1ccc(cc1)C(C)(C)C 22a_100000210346_100000070787 [0,1,0,0,0,1|0,0,0]=2 2411 B14R1.806 CC(=O)Nc1ccc(cc1)C(C)(C)C 527a_100000210346_100103153847 [0,1,0,0,0,1|0,0,0]=2 2412 B14R1.806 CC(=O)Nc1ccc(cc1)C(F)(F)F 11a_100000210975_100015343762 [0,1,0,0,0,1|2,0,0]=4 2413 B14R1.806 CC(=O)Nc1ccc(cc1)C(F)(F)F 1626a_100000210975_100015343762 [0,1,0,0,0,1|2,0,0]=4 2414 B14R1.806 CC(=O)Nc1ccc(cc1)C(F)(F)F 22a_100000210975_100000070787 [0,1,0,0,0,1|2,0,0]=4 2415 B14R1.806 CC(=O)Nc1ccc(cc1)C(F)(F)F 527a_100000210975_100103153847 [0,1,0,0,0,1|2,0,0]=4 2416 B14R1.806 CC(=O)Nc1ccc(cc1)S(=O)(=O)C 11a_100000195502_100015343762 [0,1,0,0,0,1|2,0,0]=4 2417 B14R1.806 CC(=O)Nc1ccc(cc1)S(=O)(=O)C 1626a_100000195502_100015343762 [0,1,0,0,0,1|2,0,0]=4 2418 B14R1.806 CC(=O)Nc1ccc(cc1)S(=O)(=O)C 22a_100000195502_100000070787 [0,1,0,0,0,1|2,0,0]=4 2419 B14R1.806 CC(=O)Nc1ccc(cc1)[Si](C)(C)C 11a_100009954384_100015343762 [0,1,0,0,0,1|0,1,0]=3 2420 B14R1.806 CC(=O)Nc1ccc(cc1)[Si](C)(C)C 1626a_100009954384_100015343762 [0,1,0,0,0,1|0,1,0]=3 2421 B14R1.806 CC(=O)Nc1ccc(cc1)[Si](C)(C)C 22a_100009954384_100000070787 [0,1,0,0,0,1|0,1,0]=3 2422 B14R1.806 CC(=O)Nc1ccc(cc1)[Si](C)(C)C 527a_100009954384_100103153847 [0,1,0,0,0,1|0,1,0]=3 2423 B14R1.806 CC(C)(C)c1ccc(cc1)CC(=O)[13CH3] 1458a_100000186723_200025704644 [0,1,0,0,0,1|0,0,0]=2 2424 B14R1.806 CC(C)Nc1ccc(cc1)C(C)(C)C 2230a_100000210346_100000210206 [0,1,0,0,0,1|1,0,1]=4 2425 B14R1.806 CC(C)Nc1ccc(cc1)C(C)(C)C 34a_100000210346_100000210206 [0,1,0,0,0,1|1,0,1]=4 2426 B14R1.806 CC(C)Nc1ccc(cc1)C(C)(C)C 7a_100000210346_100000210206 [0,1,0,0,0,1|1,0,1]=4 2427 B14R1.806 CC(C)Nc1ccc(cc1)S(=O)(=O)C 34a_100000195502_100000210206 [0,1,0,0,0,1|1,0,0]=3 2428 B14R1.806 CC(C)Nc1ccc(cc1)S(=O)(=O)C 7a_100000195502_100000210206 [0,1,0,0,0,1|1,0,0]=3 2429 B14R1.806 CC(C)Nc1ccc(cc1)S(=O)(=O)N 34a_100000182716_100000210206 [0,1,0,0,0,1|2,0,0]=4 2430 B14R1.806 CC(C)Nc1ccc(cc1)[Si](C)(C)C 7a_100009954384_100000210206 [0,1,0,0,0,1|1,1,0]=4 2431 B14R1.806 CC(C)Nc1ccc(cn1)S(=O)(=O)C 27a_100138425928_100009816761 [0,1,0,0,0,1|2,0,0]=4 2432 B14R1.806 CC(C)Oc1ccc(cc1)C(C)(C)C 34a_100000185729_100000210206 [0,1,0,0,0,1|1,0,1]=4 2433 B14R1.806 CC(C)Oc1ccc(cc1)C(C)(C)C 7a_100000185729_100000210206 [0,1,0,0,0,1|1,0,1]=4 2434 B14R1.806 CC(C)Oc1ccc(cc1)C(C)(C)O 34a_100000695648_100000210206 [0,1,0,0,0,1|0,0,2]=4 2435 B14R1.806 CC(C)Oc1ccc(cc1)C(C)(C)O 7a_100000695648_100000210206 [0,1,0,0,0,1|0,0,2]=4 2436 B14R1.806 CC(C)Oc1ccc(cc1)S(=O)(=O)C 34a_100000230201_100000210206 [0,1,0,0,0,1|1,0,0]=3 2437 B14R1.806 CC(C)Oc1ccc(cc1)S(=O)(=O)C 7a_100000230201_100000210206 [0,1,0,0,0,1|1,0,0]=3 2438 B14R1.806 CC(C)Oc1ccc(cc1)S(=O)(=O)N 34a_100000738502_100000210206 [0,1,0,0,0,1|2,0,0]=4 2439 B14R1.806 CC(C)Oc1ccc(cc1)S(=O)(=O)N 7a_100000738502_100000210206 [0,1,0,0,0,1|2,0,0]=4 2440 B14R1.806 CC(C)Oc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_100000210206 [0,1,0,0,0,1|2,0,0]=4 2441 B14R1.806 CC(C)Sc1ccc(cc1)C(C)(C)C 62a_100000210206_100011215385 [0,1,0,0,0,1|1,0,1]=4 2442 B14R1.806 CC(C)Sc1ccc(cc1)C(C)(C)C 62a_100011215385_100000210206 [0,1,0,0,0,1|1,0,1]=4 2443 B14R1.806 CC(C)Sc1ccc(cc1)C(C)(C)N 62a_100000210206_100000739617 [0,1,0,0,0,1|1,0,1]=4 2444 B14R1.806 CC(C)Sc1ccc(cc1)C(C)(C)N 62a_100000739617_100000210206 [0,1,0,0,0,1|1,0,1]=4 2445 B14R1.806 CC(C)Sc1ccc(cc1)C(C)(C)O 62a_100000210206_100000753367 [0,1,0,0,0,1|0,0,2]=4 2446 B14R1.806 CC(C)Sc1ccc(cc1)C(C)(C)O 62a_100000753367_100000210206 [0,1,0,0,0,1|0,0,2]=4 2447 B14R1.806 CC(C)Sc1ccc(cc1)C(C)(F)F 62a_100000210206_100009817129 [0,1,0,0,0,1|1,0,1]=4 2448 B14R1.806 CC(C)Sc1ccc(cc1)C(C)(F)F 62a_100009817129_100000210206 [0,1,0,0,0,1|1,0,1]=4 2449 B14R1.806 CC(C)Sc1ccc(cc1)S(=O)(=O)C 62a_100000210206_100000765142 [0,1,0,0,0,1|1,0,0]=3 2450 B14R1.806 CC(C)Sc1ccc(cc1)S(=O)(=O)C 62a_100000765142_100000210206 [0,1,0,0,0,1|1,0,0]=3 2451 B14R1.806 CC(C)Sc1ccc(cc1)S(=O)(=O)N 62a_100000210206_100000164505 [0,1,0,0,0,1|2,0,0]=4 2452 B14R1.806 CC(C)Sc1ccc(cc1)S(=O)(=O)N 62a_100000701559_100000210206 [0,1,0,0,0,1|2,0,0]=4 2453 B14R1.806 CC(C)Sc1ccc(cc1)[Si](C)(C)C 62a_100000210206_100009813420 [0,1,0,0,0,1|1,1,0]=4 2454 B14R1.806 CC(C)Sc1ccc(cc1)[Si](C)(C)C 62a_100009813420_100000210206 [0,1,0,0,0,1|1,1,0]=4 2455 B14R1.806 CC(C)Sc1ccc(cn1)S(=O)(=O)C 62a_100000210206_100009816761 [0,1,0,0,0,1|2,0,0]=4 2456 B14R1.806 CC(C)Sc1ccc(cn1)S(=O)(=O)C 62a_100009816761_100000210206 [0,1,0,0,0,1|2,0,0]=4 2457 B14R1.806 CC(C)Sc1ccc(nc1)S(=O)(=O)C 62a_100000210206_100009814649 [0,1,0,0,0,1|2,0,0]=4 2458 B14R1.806 CC(C)Sc1ccc(nc1)S(=O)(=O)C 62a_100009814649_100000210206 [0,1,0,0,0,1|2,0,0]=4 2459 B14R1.806 CN(C)Cc1ccc(cc1)C(C)(C)C 2230a_100000184384_200000210301 [0,1,0,0,0,1|2,0,0]=4 2460 B14R1.806 CN(C)Cc1ccc(cc1)C(C)(C)C 2230a_100102631434_100000212263 [0,1,0,0,0,1|2,0,0]=4 2461 B14R1.806 CN(C)Cc1ccc(cc1)C(C)(C)C 269982a_100000184384_200000210301 [0,1,0,0,0,1|2,0,0]=4 2462 B14R1.806 CN(C)Cc1ccc(cc1)C(C)(C)C 269982a_100102631434_100000212263 [0,1,0,0,0,1|2,0,0]=4 2463 B14R1.806 CN(C)Cc1ccc(cc1)C(C)(C)C 270004a_100102631434_100000188519 [0,1,0,0,0,1|2,0,0]=4 2464 B14R1.806 CN(C)Cc1ccc(cc1)S(=O)(=O)C 2230a_100102631434_100000717844 [0,1,0,0,0,1|2,0,0]=4 2465 B14R1.806 CN(C)Cc1ccc(cc1)S(=O)(=O)C 269982a_100102631434_100000717844 [0,1,0,0,0,1|2,0,0]=4 2466 B14R1.806 CN(C)Cc1ccc(cc1)S(=O)(=O)C 270004a_100102631434_100000743486 [0,1,0,0,0,1|2,0,0]=4 2467 B14R1.806 CN([13CH3])Cc1ccc(cc1)C(C)(C)C 2230a_100000184384_200025704644 [0,1,0,0,0,1|2,0,0]=4 2468 B14R1.806 CN([13CH3])Cc1ccc(cc1)C(C)(C)C 269982a_100000184384_200025704644 [0,1,0,0,0,1|2,0,0]=4 2469 B14R1.806 CS(=O)(=O)c1ccc(cc1)CC(=O)[13CH3] 1458a_100011219842_200025704644 [0,1,0,0,0,1|2,0,0]=4 2470 B14R1.806 [13CH3]C(=O)Cc1ccc(cc1)C(F)(F)F 1458a_100000233766_200025704644 [0,1,0,0,0,1|2,0,0]=4 2471 B14R1.2879 C#CC(=O)Cc1ccc(cc1)C(C)C 1458a_100000211873_100000181262 [0,1,0,0,0,1|0,0,1]=3 2472 B14R1.2879 C#CC(C)Nc1ccc(cc1)C(=O)N 27a_100000707721_100000162191 [0,1,0,0,0,1|1,0,1]=4 2473 B14R1.2879 C#CC(C)Nc1ccc(cc1)C(=O)N 34a_100000210537_200000035995 [0,1,0,0,0,1|1,0,1]=4 2474 B14R1.2879 C#CC(C)Nc1ccc(cc1)C(C)C 34a_100000210773_200000035995 [0,1,0,0,0,1|1,0,1]=4 2475 B14R1.2879 C#CC(C)Nc1ccc(cn1)C(=O)C 27a_100000707721_100000690552 [0,1,0,0,0,1|1,0,1]=4 2476 B14R1.2879 C#CC(C)Oc1ccc(cc1)C(=C)C 34a_100009880102_200000035995 [0,1,0,0,0,1|1,0,1]=4 2477 B14R1.2879 C#CC(C)Oc1ccc(cc1)C(=O)C 34a_100000185113_200000035995 [0,1,0,0,0,1|0,0,1]=3 2478 B14R1.2879 C#CC(C)Oc1ccc(cc1)C(=O)N 34a_100000746352_200000035995 [0,1,0,0,0,1|1,0,1]=4 2479 B14R1.2879 C#CC(C)Oc1ccc(cc1)C(C)C 34a_100000181308_200000035995 [0,1,0,0,0,1|1,0,1]=4 2480 B14R1.2879 C#CC(C)Oc1ccc(cc1)S(=O)C 34a_200000064373_200000035995 [0,1,0,0,0,1|1,0,1]=4 2481 B14R1.2879 C#CC(C)Oc1ccc(nc1)C(=O)C 34a_100012001710_200000035995 [0,1,0,0,0,1|1,0,1]=4 2482 B14R1.2879 C#CC(C)Sc1ccc(cc1)C(=C)C 62a_200000035995_100000185454 [0,1,0,0,0,1|1,0,1]=4 2483 B14R1.2879 C#CC(C)Sc1ccc(cc1)C(=O)C 62a_200000035995_100000185465 [0,1,0,0,0,1|0,0,1]=3 2484 B14R1.2879 C#CC(C)Sc1ccc(cc1)C(=O)N 62a_200000035995_100000162191 [0,1,0,0,0,1|1,0,1]=4 2485 B14R1.2879 C#CC(C)Sc1ccc(cc1)C(C)C 62a_200000035995_100000750031 [0,1,0,0,0,1|1,0,1]=4 2486 B14R1.2879 C#CC(C)Sc1ccc(cn1)C(=O)C 62a_200000035995_100000684857 [0,1,0,0,0,1|1,0,1]=4 2487 B14R1.2879 C#CC(C)Sc1ccc(nc1)C(=O)C 62a_200000035995_100000686046 [0,1,0,0,0,1|1,0,1]=4 2488 B14R1.2879 C=C(C)c1ccc(cc1)CC(=O)NC 271570a_100000694244_100000155101 [0,1,0,0,0,1|0,0,2]=4 2489 B14R1.2879 C=C(C)c1ccc(cc1)CC(=O)OC 271570a_100000694244_100000149743 [0,1,0,0,0,1|0,0,2]=4 2490 B14R1.2879 C=C(C)c1ccc(cc1)CN(C)CC 26a_100000225621_100009880102 [0,1,0,0,0,1|2,0,0]=4 2491 B14R1.2879 C=C(C)c1ccc(cc1)NC(=O)OC 271570a_100000694244_100000181880 [0,1,0,0,0,1|0,0,2]=4 2492 B14R1.2879 C=C(C)c1ccc(cc1)OC(=O)CC 271570a_100000694244_200009811598 [0,1,0,0,0,1|0,0,2]=4 2493 B14R1.2879 C=C(C)c1ccc(cc1)OC(C)C#N 7a_100009880102_100000703298 [0,1,0,0,0,1|1,0,1]=4 2494 B14R1.2879 C=C(C)c1ccc(cc1)OC(C)CC 34a_100009880102_100011215416 [0,1,0,0,0,1|1,0,0]=3 2495 B14R1.2879 C=C(C)c1ccc(cc1)OC(C)CC 7a_100009880102_100000758301 [0,1,0,0,0,1|1,0,0]=3 2496 B14R1.2879 C=C(C)c1ccc(cc1)OC(C)CO 34a_100009880102_100012180447 [0,1,0,0,0,1|1,0,0]=3 2497 B14R1.2879 C=C(C)c1ccc(cc1)OC(C)CO 7a_100009880102_100012180447 [0,1,0,0,0,1|1,0,0]=3 2498 B14R1.2879 C=C(C)c1ccc(cc1)SC(C)C#N 62a_100000185454_100000703298 [0,1,0,0,0,1|1,0,1]=4 2499 B14R1.2879 C=C(C)c1ccc(cc1)SC(C)C#N 62a_100000703298_100000185454 [0,1,0,0,0,1|1,0,1]=4 2500 B14R1.2879 C=C(C)c1ccc(cc1)SC(C)CC 62a_100000185454_100000758301 [0,1,0,0,0,1|1,0,0]=3 2501 B14R1.2879 C=C(C)c1ccc(cc1)SC(C)CC 62a_100000758301_100000185454 [0,1,0,0,0,1|1,0,0]=3 2502 B14R1.2879 C=C(C)c1ccc(cc1)SC(C)CO 62a_100012180447_100000185454 [0,1,0,0,0,1|1,0,0]=3 2503 B14R1.2879 C=C(C)c1ccc(cc1)SC(C)OC 62a_100000185454_100009879195 [0,1,0,0,0,1|1,0,0]=3 2504 B14R1.2879 C=C(C)c1ccc(cc1)SC(C)OC 62a_100009879195_100000185454 [0,1,0,0,0,1|1,0,0]=3 2505 B14R1.2879 C=C(C)c1ccc(cc1)S[C@H](C)CO 62a_100000185454_100016084084 [0,1,0,0,0,1|1,0,0]=3 2506 B14R1.2879 C=C(C)c1ccc(cc1)S[C@H](C)CO 62a_100016084084_100000185454 [0,1,0,0,0,1|1,0,0]=3 2507 B14R1.2879 C=CC(=O)Cc1ccc(cc1)C(C)C 1458a_100000185746_100000181262 [0,1,0,0,0,1|0,0,1]=3 2508 B14R1.2879 C=CC(=O)Nc1ccc(cc1)C(C)C 1626a_100000210773_100000185746 [0,1,0,0,0,1|0,0,1]=3 2509 B14R1.2879 C=CC(=O)Nc1ccc(cc1)C(C)C 22a_100000210773_100000185746 [0,1,0,0,0,1|0,0,1]=3 2510 B14R1.2879 C=CC(=O)Nc1ccc(cc1)C(C)O 22a_100011216399_100000185746 [0,1,0,0,0,1|1,0,1]=4 2511 B14R1.2879 C=CC(=O)Nc1ccc(cc1)N(C)C 1626a_100016997997_100000185746 [0,1,0,0,0,1|1,0,1]=4 2512 B14R1.2879 C=CC(=O)Nc1ccc(cc1)N(C)C 22a_100016997997_100000185746 [0,1,0,0,0,1|1,0,1]=4 2513 B14R1.2879 C=CC(C)Sc1ccc(cc1)C(=C)C 62a_100011215867_100000185454 [0,1,0,0,0,1|1,0,1]=4 2514 B14R1.2879 C=CC(C)Sc1ccc(cc1)C(=O)C 62a_100011215867_100000185465 [0,1,0,0,0,1|0,0,1]=3 2515 B14R1.2879 C=CC(C)Sc1ccc(cc1)C(=O)N 62a_100011215867_100000162191 [0,1,0,0,0,1|1,0,1]=4 2516 B14R1.2879 C=CC(C)Sc1ccc(cc1)C(C)C 62a_100011215867_100000750031 [0,1,0,0,0,1|1,0,1]=4 2517 B14R1.2879 C=CC(C)Sc1ccc(cn1)C(=O)C 62a_100011215867_100000684857 [0,1,0,0,0,1|1,0,1]=4 2518 B14R1.2879 C=CC(C)Sc1ccc(nc1)C(=O)C 62a_100011215867_100000686046 [0,1,0,0,0,1|1,0,1]=4 2519 B14R1.2879 CC(=O)c1ccc(cc1)CC(=O)CO 1458a_100000210174_100000756337 [0,1,0,0,0,1|1,0,1]=4 2520 B14R1.2879 CC(=O)c1ccc(cc1)OC(C)C#N 7a_100000185113_100000703298 [0,1,0,0,0,1|0,0,1]=3 2521 B14R1.2879 CC(=O)c1ccc(cc1)OC(C)CO 34a_100000185113_100012180447 [0,1,0,0,0,1|0,0,0]=2 2522 B14R1.2879 CC(=O)c1ccc(cc1)OC(C)CO 7a_100000185113_100012180447 [0,1,0,0,0,1|0,0,0]=2 2523 B14R1.2879 CC(=O)c1ccc(cc1)SC(C)C#N 62a_100000185465_100000703298 [0,1,0,0,0,1|0,0,1]=3 2524 B14R1.2879 CC(=O)c1ccc(cc1)SC(C)C#N 62a_100000703298_100000185465 [0,1,0,0,0,1|0,0,1]=3 2525 B14R1.2879 CC(=O)c1ccc(cc1)SC(C)CO 62a_100012180447_100000185465 [0,1,0,0,0,1|0,0,0]=2 2526 B14R1.2879 CC(=O)c1ccc(cc1)SC(F)C#N 62a_100000185465_200000117898 [0,1,0,0,0,1|1,0,1]=4 2527 B14R1.2879 CC(=O)c1ccc(cc1)SC(F)C#N 62a_200000117898_100000185465 [0,1,0,0,0,1|1,0,1]=4 2528 B14R1.2879 CC(=O)c1ccc(cc1)S[C@H](C)CO 62a_100000185465_100016084084 [0,1,0,0,0,1|0,0,0]=2 2529 B14R1.2879 CC(=O)c1ccc(cc1)S[C@H](C)CO 62a_100016084084_100000185465 [0,1,0,0,0,1|0,0,0]=2 2530 B14R1.2879 CC(=O)c1ccc(cn1)OC(C)C#N 7a_100012001710_100000703298 [0,1,0,0,0,1|1,0,1]=4 2531 B14R1.2879 CC(=O)c1ccc(cn1)OC(C)CO 34a_100012001710_100012180447 [0,1,0,0,0,1|1,0,0]=3 2532 B14R1.2879 CC(=O)c1ccc(cn1)OC(C)CO 7a_100012001710_100012180447 [0,1,0,0,0,1|1,0,0]=3 2533 B14R1.2879 CC(=O)c1ccc(cn1)SC(C)C#N 62a_100000686046_100000703298 [0,1,0,0,0,1|1,0,1]=4 2534 B14R1.2879 CC(=O)c1ccc(cn1)SC(C)C#N 62a_100000703298_100000686046 [0,1,0,0,0,1|1,0,1]=4 2535 B14R1.2879 CC(=O)c1ccc(cn1)SC(C)CO 62a_100012180447_100000686046 [0,1,0,0,0,1|1,0,0]=3 2536 B14R1.2879 CC(=O)c1ccc(cn1)S[C@H](C)CO 62a_100000686046_100016084084 [0,1,0,0,0,1|1,0,0]=3 2537 B14R1.2879 CC(=O)c1ccc(cn1)S[C@H](C)CO 62a_100016084084_100000686046 [0,1,0,0,0,1|1,0,0]=3 2538 B14R1.2879 CC(=O)c1ccc(nc1)N[C@H](C)CF 27a_100102880703_100000690552 [0,1,0,0,0,1|1,0,0]=3 2539 B14R1.2879 CC(=O)c1ccc(nc1)N[C@H](C)CO 27a_100000737577_100000690552 [0,1,0,0,0,1|1,0,0]=3 2540 B14R1.2879 CC(=O)c1ccc(nc1)SC(C)C#N 62a_100000684857_100000703298 [0,1,0,0,0,1|1,0,1]=4 2541 B14R1.2879 CC(=O)c1ccc(nc1)SC(C)C#N 62a_100000703298_100000684857 [0,1,0,0,0,1|1,0,1]=4 2542 B14R1.2879 CC(=O)c1ccc(nc1)SC(C)CO 62a_100012180447_100000684857 [0,1,0,0,0,1|1,0,0]=3 2543 B14R1.2879 CC(=O)c1ccc(nc1)S[C@H](C)CO 62a_100000684857_100016084084 [0,1,0,0,0,1|1,0,0]=3 2544 B14R1.2879 CC(=O)c1ccc(nc1)S[C@H](C)CO 62a_100016084084_100000684857 [0,1,0,0,0,1|1,0,0]=3 2545 B14R1.2879 CC(=O)c1cnc(cn1)N[C@H](C)CF 27a_100102880703_100009883172 [0,1,0,0,0,1|2,0,0]=4 2546 B14R1.2879 CC(=O)c1cnc(cn1)N[C@H](C)CO 27a_100000737577_100009883172 [0,1,0,0,0,1|2,0,0]=4 2547 B14R1.2879 CC(=O)c1cnc(cn1)SC(C)CO 62a_100012180447_100009883172 [0,1,0,0,0,1|2,0,0]=4 2548 B14R1.2879 CC(=O)c1cnc(cn1)S[C@H](C)CO 62a_100009883172_100016084084 [0,1,0,0,0,1|2,0,0]=4 2549 B14R1.2879 CC(=O)c1cnc(cn1)S[C@H](C)CO 62a_100016084084_100009883172 [0,1,0,0,0,1|2,0,0]=4 2550 B14R1.2879 CC(=O)c1cnc(nc1)N[C@H](C)CF 27a_100102880703_100000099681 [0,1,0,0,0,1|2,0,0]=4 2551 B14R1.2879 CC(=O)c1cnc(nc1)N[C@H](C)CO 27a_100000737577_100000099681 [0,1,0,0,0,1|2,0,0]=4 2552 B14R1.2879 CC(=O)c1cnc(nc1)SC(C)CO 62a_100012180447_100000099681 [0,1,0,0,0,1|2,0,0]=4 2553 B14R1.2879 CC(=O)c1cnc(nc1)S[C@H](C)CO 62a_100000099681_100016084084 [0,1,0,0,0,1|2,0,0]=4 2554 B14R1.2879 CC(=O)c1cnc(nc1)S[C@H](C)CO 62a_100016084084_100000099681 [0,1,0,0,0,1|2,0,0]=4 2555 B14R1.2879 CC(=O)c1ncc(cn1)SC(C)CO 62a_100012180447_100010077182 [0,1,0,0,0,1|2,0,0]=4 2556 B14R1.2879 CC(=O)c1ncc(cn1)S[C@H](C)CO 62a_100010077182_100016084084 [0,1,0,0,0,1|2,0,0]=4 2557 B14R1.2879 CC(=O)c1ncc(cn1)S[C@H](C)CO 62a_100016084084_100010077182 [0,1,0,0,0,1|2,0,0]=4 2558 B14R1.2879 CC(C#N)Nc1ccc(cc1)C(C)C 2230a_100000210773_100000184139 [0,1,0,0,0,1|1,0,1]=4 2559 B14R1.2879 CC(C#N)Nc1ccc(cc1)C(C)C 7a_100000210773_100000703298 [0,1,0,0,0,1|1,0,1]=4 2560 B14R1.2879 CC(C#N)Oc1ccc(cc1)C(=O)N 7a_100000746352_100000703298 [0,1,0,0,0,1|1,0,1]=4 2561 B14R1.2879 CC(C#N)Oc1ccc(cc1)C(C)C 7a_100000181308_100000703298 [0,1,0,0,0,1|1,0,1]=4 2562 B14R1.2879 CC(C#N)Oc1ccc(cc1)S(=O)C 7a_200000064373_100000703298 [0,1,0,0,0,1|1,0,1]=4 2563 B14R1.2879 CC(C#N)Sc1ccc(cc1)C(=O)N 62a_100000162191_100000703298 [0,1,0,0,0,1|1,0,1]=4 2564 B14R1.2879 CC(C#N)Sc1ccc(cc1)C(=O)N 62a_100000703298_100000162191 [0,1,0,0,0,1|1,0,1]=4 2565 B14R1.2879 CC(C#N)Sc1ccc(cc1)C(C)C 62a_100000703298_100000750031 [0,1,0,0,0,1|1,0,1]=4 2566 B14R1.2879 CC(C#N)Sc1ccc(cc1)C(C)C 62a_100000750031_100000703298 [0,1,0,0,0,1|1,0,1]=4 2567 B14R1.2879 CC(C#N)Sc1ccc(cc1)S(=O)C 62a_100009816266_100000703298 [0,1,0,0,0,1|1,0,1]=4 2568 B14R1.2879 CC(C)c1ccc(cc1)CC(=O)CF 1458a_100000689720_100015361967 [0,1,0,0,0,1|0,0,0]=2 2569 B14R1.2879 CC(C)c1ccc(cc1)CC(=O)CO 1458a_100000210174_100000181262 [0,1,0,0,0,1|0,0,0]=2 2570 B14R1.2879 CC(C)c1ccc(cc1)NC(=O)CO 22a_100000210773_100000210174 [0,1,0,0,0,1|0,0,0]=2 2571 B14R1.2879 CC(C)c1ccc(cc1)NC(=O)CO 527a_100000210773_100000210174 [0,1,0,0,0,1|0,0,0]=2 2572 B14R1.2879 CC(C)c1ccc(cc1)S[C@H](C)CO 62a_100000750031_100016084084 [0,1,0,0,0,1|0,0,2]=4 2573 B14R1.2879 CC(C)c1ccc(cc1)S[C@H](C)CO 62a_100016084084_100000750031 [0,1,0,0,0,1|0,0,2]=4 2574 B14R1.2879 CC(CO)Nc1ccc(cc1)C(=O)N 34a_100000210537_100012180447 [0,1,0,0,0,1|1,0,0]=3 2575 B14R1.2879 CC(CO)Nc1ccc(cc1)C(C)C 2230a_100000210773_100012180447 [0,1,0,0,0,1|0,0,2]=4 2576 B14R1.2879 CC(CO)Nc1ccc(cc1)C(C)C 34a_100000210773_100012180447 [0,1,0,0,0,1|0,0,2]=4 2577 B14R1.2879 CC(CO)Nc1ccc(cc1)C(C)C 7a_100000210773_100012180447 [0,1,0,0,0,1|0,0,2]=4 2578 B14R1.2879 CC(CO)Nc1ccc(cc1)C(C)O 2230a_100011216399_100012180447 [0,1,0,0,0,1|0,0,2]=4 2579 B14R1.2879 CC(CO)Nc1ccc(cc1)C(C)O 34a_100011216399_100012180447 [0,1,0,0,0,1|0,0,2]=4 2580 B14R1.2879 CC(CO)Nc1ccc(cc1)N(C)C 34a_100016997997_100012180447 [0,1,0,0,0,1|2,0,0]=4 2581 B14R1.2879 CC(CO)Nc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100012180447 [0,1,0,0,0,1|2,0,0]=4 2582 B14R1.2879 CC(CO)Nc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100012180447 [0,1,0,0,0,1|2,0,0]=4 2583 B14R1.2879 CC(CO)Oc1ccc(cc1)C(=O)N 34a_100000746352_100012180447 [0,1,0,0,0,1|1,0,0]=3 2584 B14R1.2879 CC(CO)Oc1ccc(cc1)C(=O)N 7a_100000746352_100012180447 [0,1,0,0,0,1|1,0,0]=3 2585 B14R1.2879 CC(CO)Oc1ccc(cc1)C(C)C 34a_100000181308_100012180447 [0,1,0,0,0,1|0,0,2]=4 2586 B14R1.2879 CC(CO)Oc1ccc(cc1)C(C)C 7a_100000181308_100012180447 [0,1,0,0,0,1|0,0,2]=4 2587 B14R1.2879 CC(CO)Oc1ccc(cc1)C(C)O 34a_100000754508_100012180447 [0,1,0,0,0,1|0,0,2]=4 2588 B14R1.2879 CC(CO)Oc1ccc(cc1)C(C)O 7a_100000754508_100012180447 [0,1,0,0,0,1|0,0,2]=4 2589 B14R1.2879 CC(CO)Oc1ccc(cc1)N(C)C 34a_100000718910_100012180447 [0,1,0,0,0,1|2,0,0]=4 2590 B14R1.2879 CC(CO)Oc1ccc(cc1)S(=O)C 34a_200000064373_100012180447 [0,1,0,0,0,1|1,0,0]=3 2591 B14R1.2879 CC(CO)Oc1ccc(cc1)S(=O)C 7a_200000064373_100012180447 [0,1,0,0,0,1|1,0,0]=3 2592 B14R1.2879 CC(CO)Oc1ccc(cc1)[C@H](C)N 34a_100161106496_100012180447 [0,1,0,0,0,1|1,0,1]=4 2593 B14R1.2879 CC(CO)Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100012180447 [0,1,0,0,0,1|2,0,0]=4 2594 B14R1.2879 CC(CO)Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100012180447 [0,1,0,0,0,1|2,0,0]=4 2595 B14R1.2879 CC(CO)Oc1ccc(cc1)[S+](C)C 34a_100010188728_100012180447 [0,1,0,0,0,1|2,0,0]=4 2596 B14R1.2879 CC(CO)Oc1ccc(cc1)[S+](C)C 7a_100010188728_100012180447 [0,1,0,0,0,1|2,0,0]=4 2597 B14R1.2879 CC(CO)Sc1ccc(cc1)C(=O)N 62a_100012180447_100000162191 [0,1,0,0,0,1|1,0,0]=3 2598 B14R1.2879 CC(CO)Sc1ccc(cc1)C(C)C 62a_100012180447_100000750031 [0,1,0,0,0,1|0,0,2]=4 2599 B14R1.2879 CC(CO)Sc1ccc(cc1)C(C)O 62a_100012180447_100000745893 [0,1,0,0,0,1|0,0,2]=4 2600 B14R1.2879 CC(CO)Sc1ccc(cc1)N(C)C 62a_100012180447_100000210421 [0,1,0,0,0,1|2,0,0]=4 2601 B14R1.2879 CC(CO)Sc1ccc(cc1)[C@@H](C)N 62a_100012180447_100000720352 [0,1,0,0,0,1|1,0,1]=4 2602 B14R1.2879 CC(CO)Sc1ccc(cc1)[C@H](C)N 62a_100012180447_100000753911 [0,1,0,0,0,1|1,0,1]=4 2603 B14R1.2879 CC(CO)Sc1ccc(cn1)C(=O)N 62a_100012180447_100000162237 [0,1,0,0,0,1|2,0,0]=4 2604 B14R1.2879 CC(CO)Sc1ccc(nc1)C(=O)N 62a_100012180447_100011219284 [0,1,0,0,0,1|2,0,0]=4 2605 B14R1.2879 CC(O)c1ccc(cc1)NC(=O)CO 22a_100011216399_100000210174 [0,1,0,0,0,1|1,0,0]=3 2606 B14R1.2879 CC(O)c1ccc(cc1)NC(=O)CO 527a_100011216399_100000210174 [0,1,0,0,0,1|1,0,0]=3 2607 B14R1.2879 CC(O)c1ccc(cc1)S[C@H](C)CO 62a_100000745893_100016084084 [0,1,0,0,0,1|0,0,2]=4 2608 B14R1.2879 CC(O)c1ccc(cc1)S[C@H](C)CO 62a_100016084084_100000745893 [0,1,0,0,0,1|0,0,2]=4 2609 B14R1.2879 CCC(=O)Cc1ccc(cc1)C(=O)C 1458a_100000210414_100000756337 [0,1,0,0,0,1|1,0,1]=4 2610 B14R1.2879 CCC(=O)Cc1ccc(cc1)C(C)C 1458a_100000210414_100000181262 [0,1,0,0,0,1|0,0,0]=2 2611 B14R1.2879 CCC(=O)Cc1ccc(cc1)C(C)C 1458a_100000689720_100000210202 [0,1,0,0,0,1|0,0,0]=2 2612 B14R1.2879 CCC(=O)Cc1ccc(cc1)C(F)F 1458a_100000210414_200012343607 [0,1,0,0,0,1|2,0,0]=4 2613 B14R1.2879 CCC(=O)Cc1ccc(cc1)N(C)C 1458a_100011218386_100000210202 [0,1,0,0,0,1|1,0,0]=3 2614 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(=O)C 1458a_100000194459_200000210301 [0,1,0,0,0,1|1,0,1]=4 2615 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(=O)[13CH3] 1458a_100000194459_200025704644 [0,1,0,0,0,1|1,0,1]=4 2616 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(C)C 11a_100000210773_100000210414 [0,1,0,0,0,1|0,0,0]=2 2617 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(C)C 1626a_100000210773_100000210414 [0,1,0,0,0,1|0,0,0]=2 2618 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(C)C 22a_100000210773_100000210414 [0,1,0,0,0,1|0,0,0]=2 2619 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(C)C 527a_100000210773_100000210414 [0,1,0,0,0,1|0,0,0]=2 2620 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(C)O 22a_100011216399_100000210414 [0,1,0,0,0,1|1,0,0]=3 2621 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(C)O 527a_100011216399_100000210414 [0,1,0,0,0,1|1,0,0]=3 2622 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(F)F 11a_100020620101_100000210414 [0,1,0,0,0,1|2,0,0]=4 2623 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(F)F 1626a_100020620101_100000210414 [0,1,0,0,0,1|2,0,0]=4 2624 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(F)F 22a_100020620101_100000210414 [0,1,0,0,0,1|2,0,0]=4 2625 B14R1.2879 CCC(=O)Nc1ccc(cc1)C(F)F 527a_100020620101_100000210414 [0,1,0,0,0,1|2,0,0]=4 2626 B14R1.2879 CCC(=O)Nc1ccc(cc1)N(C)C 11a_100016997997_100000210414 [0,1,0,0,0,1|1,0,0]=3 2627 B14R1.2879 CCC(=O)Nc1ccc(cc1)N(C)C 1626a_100016997997_100000210414 [0,1,0,0,0,1|1,0,0]=3 2628 B14R1.2879 CCC(=O)Nc1ccc(cc1)N(C)C 22a_100016997997_100000210414 [0,1,0,0,0,1|1,0,0]=3 2629 B14R1.2879 CCC(=O)Nc1ccc(cc1)N(C)C 527a_100016997997_100000210414 [0,1,0,0,0,1|1,0,0]=3 2630 B14R1.2879 CCC(C)Nc1ccc(cc1)C(=O)N 34a_100000210537_100011215416 [0,1,0,0,0,1|1,0,0]=3 2631 B14R1.2879 CCC(C)Nc1ccc(cc1)C(C)C 2230a_100000210773_100000758301 [0,1,0,0,0,1|1,0,1]=4 2632 B14R1.2879 CCC(C)Nc1ccc(cc1)C(C)C 34a_100000210773_100011215416 [0,1,0,0,0,1|1,0,1]=4 2633 B14R1.2879 CCC(C)Nc1ccc(cc1)C(C)C 7a_100000210773_100000758301 [0,1,0,0,0,1|1,0,1]=4 2634 B14R1.2879 CCC(C)Nc1ccc(cc1)C(C)O 2230a_100011216399_100000758301 [0,1,0,0,0,1|0,0,2]=4 2635 B14R1.2879 CCC(C)Nc1ccc(cc1)C(C)O 34a_100011216399_100011215416 [0,1,0,0,0,1|0,0,2]=4 2636 B14R1.2879 CCC(C)Nc1ccc(cc1)N(C)C 34a_100016997997_100011215416 [0,1,0,0,0,1|2,0,0]=4 2637 B14R1.2879 CCC(C)Nc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000758301 [0,1,0,0,0,1|2,0,0]=4 2638 B14R1.2879 CCC(C)Nc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100011215416 [0,1,0,0,0,1|2,0,0]=4 2639 B14R1.2879 CCC(C)Oc1ccc(cc1)C(=O)C 1458a_200000188679_200000210301 [0,1,0,0,0,1|0,0,0]=2 2640 B14R1.2879 CCC(C)Oc1ccc(cc1)C(=O)C 34a_100000185113_100011215416 [0,1,0,0,0,1|0,0,0]=2 2641 B14R1.2879 CCC(C)Oc1ccc(cc1)C(=O)C 7a_100000185113_100000758301 [0,1,0,0,0,1|0,0,0]=2 2642 B14R1.2879 CCC(C)Oc1ccc(cc1)C(=O)N 34a_100000746352_100011215416 [0,1,0,0,0,1|1,0,0]=3 2643 B14R1.2879 CCC(C)Oc1ccc(cc1)C(=O)N 7a_100000746352_100000758301 [0,1,0,0,0,1|1,0,0]=3 2644 B14R1.2879 CCC(C)Oc1ccc(cc1)C(=O)[13CH3] 1458a_200000188679_200025704644 [0,1,0,0,0,1|0,0,0]=2 2645 B14R1.2879 CCC(C)Oc1ccc(cc1)C(C)C 34a_100000181308_100011215416 [0,1,0,0,0,1|1,0,1]=4 2646 B14R1.2879 CCC(C)Oc1ccc(cc1)C(C)C 7a_100000181308_100000758301 [0,1,0,0,0,1|1,0,1]=4 2647 B14R1.2879 CCC(C)Oc1ccc(cc1)C(C)O 34a_100000754508_100011215416 [0,1,0,0,0,1|0,0,2]=4 2648 B14R1.2879 CCC(C)Oc1ccc(cc1)C(C)O 7a_100000754508_100000758301 [0,1,0,0,0,1|0,0,2]=4 2649 B14R1.2879 CCC(C)Oc1ccc(cc1)N(C)C 34a_100000718910_100011215416 [0,1,0,0,0,1|2,0,0]=4 2650 B14R1.2879 CCC(C)Oc1ccc(cc1)S(=O)C 34a_200000064373_100011215416 [0,1,0,0,0,1|1,0,0]=3 2651 B14R1.2879 CCC(C)Oc1ccc(cc1)S(=O)C 7a_200000064373_100000758301 [0,1,0,0,0,1|1,0,0]=3 2652 B14R1.2879 CCC(C)Oc1ccc(cc1)[C@H](C)N 34a_100161106496_100011215416 [0,1,0,0,0,1|1,0,1]=4 2653 B14R1.2879 CCC(C)Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100011215416 [0,1,0,0,0,1|2,0,0]=4 2654 B14R1.2879 CCC(C)Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000758301 [0,1,0,0,0,1|2,0,0]=4 2655 B14R1.2879 CCC(C)Oc1ccc(cc1)[S+](C)C 34a_100010188728_100011215416 [0,1,0,0,0,1|2,0,0]=4 2656 B14R1.2879 CCC(C)Oc1ccc(cc1)[S+](C)C 7a_100010188728_100000758301 [0,1,0,0,0,1|2,0,0]=4 2657 B14R1.2879 CCC(C)Oc1ccc(nc1)C(=O)C 34a_100012001710_100011215416 [0,1,0,0,0,1|1,0,0]=3 2658 B14R1.2879 CCC(C)Oc1ccc(nc1)C(=O)C 7a_100012001710_100000758301 [0,1,0,0,0,1|1,0,0]=3 2659 B14R1.2879 CCC(C)Sc1ccc(cc1)C(=O)C 62a_100000185465_100000758301 [0,1,0,0,0,1|0,0,0]=2 2660 B14R1.2879 CCC(C)Sc1ccc(cc1)C(=O)C 62a_100000758301_100000185465 [0,1,0,0,0,1|0,0,0]=2 2661 B14R1.2879 CCC(C)Sc1ccc(cc1)C(=O)N 62a_100000162191_100000758301 [0,1,0,0,0,1|1,0,0]=3 2662 B14R1.2879 CCC(C)Sc1ccc(cc1)C(=O)N 62a_100000758301_100000162191 [0,1,0,0,0,1|1,0,0]=3 2663 B14R1.2879 CCC(C)Sc1ccc(cc1)C(C)C 62a_100000750031_100000758301 [0,1,0,0,0,1|1,0,1]=4 2664 B14R1.2879 CCC(C)Sc1ccc(cc1)C(C)C 62a_100000758301_100000750031 [0,1,0,0,0,1|1,0,1]=4 2665 B14R1.2879 CCC(C)Sc1ccc(cc1)C(C)O 62a_100000745893_100000758301 [0,1,0,0,0,1|0,0,2]=4 2666 B14R1.2879 CCC(C)Sc1ccc(cc1)C(C)O 62a_100000758301_100000745893 [0,1,0,0,0,1|0,0,2]=4 2667 B14R1.2879 CCC(C)Sc1ccc(cc1)N(C)C 62a_100000210421_100000758301 [0,1,0,0,0,1|2,0,0]=4 2668 B14R1.2879 CCC(C)Sc1ccc(cc1)N(C)C 62a_100000758301_100000210421 [0,1,0,0,0,1|2,0,0]=4 2669 B14R1.2879 CCC(C)Sc1ccc(cc1)S(=O)C 62a_100009816266_100000758301 [0,1,0,0,0,1|1,0,0]=3 2670 B14R1.2879 CCC(C)Sc1ccc(cc1)[C@@H](C)N 62a_100000720352_100000758301 [0,1,0,0,0,1|1,0,1]=4 2671 B14R1.2879 CCC(C)Sc1ccc(cc1)[C@@H](C)N 62a_100000758301_100000720352 [0,1,0,0,0,1|1,0,1]=4 2672 B14R1.2879 CCC(C)Sc1ccc(cc1)[C@H](C)N 62a_100000753911_100000758301 [0,1,0,0,0,1|1,0,1]=4 2673 B14R1.2879 CCC(C)Sc1ccc(cc1)[C@H](C)N 62a_100000758301_100000753911 [0,1,0,0,0,1|1,0,1]=4 2674 B14R1.2879 CCC(C)Sc1ccc(cn1)C(=O)C 62a_100000684857_100000758301 [0,1,0,0,0,1|1,0,0]=3 2675 B14R1.2879 CCC(C)Sc1ccc(cn1)C(=O)C 62a_100000758301_100000684857 [0,1,0,0,0,1|1,0,0]=3 2676 B14R1.2879 CCC(C)Sc1ccc(cn1)C(=O)N 62a_100000162237_100000758301 [0,1,0,0,0,1|2,0,0]=4 2677 B14R1.2879 CCC(C)Sc1ccc(cn1)C(=O)N 62a_100000758301_100000162237 [0,1,0,0,0,1|2,0,0]=4 2678 B14R1.2879 CCC(C)Sc1ccc(nc1)C(=O)C 62a_100000686046_100000758301 [0,1,0,0,0,1|1,0,0]=3 2679 B14R1.2879 CCC(C)Sc1ccc(nc1)C(=O)C 62a_100000758301_100000686046 [0,1,0,0,0,1|1,0,0]=3 2680 B14R1.2879 CCC(C)Sc1ccc(nc1)C(=O)N 62a_100000758301_100011219284 [0,1,0,0,0,1|2,0,0]=4 2681 B14R1.2879 CCC(C)Sc1ccc(nc1)C(=O)N 62a_100011219284_100000758301 [0,1,0,0,0,1|2,0,0]=4 2682 B14R1.2879 CCC(C)Sc1cnc(cn1)C(=O)C 62a_100000758301_100009883172 [0,1,0,0,0,1|2,0,0]=4 2683 B14R1.2879 CCC(C)Sc1cnc(cn1)C(=O)C 62a_100009883172_100000758301 [0,1,0,0,0,1|2,0,0]=4 2684 B14R1.2879 CCC(C)Sc1cnc(nc1)C(=O)C 62a_100000758301_100010077182 [0,1,0,0,0,1|2,0,0]=4 2685 B14R1.2879 CCC(C)Sc1cnc(nc1)C(=O)C 62a_100010077182_100000758301 [0,1,0,0,0,1|2,0,0]=4 2686 B14R1.2879 CCC(C)Sc1ncc(cn1)C(=O)C 62a_100000099681_100000758301 [0,1,0,0,0,1|2,0,0]=4 2687 B14R1.2879 CCC(C)Sc1ncc(cn1)C(=O)C 62a_100000758301_100000099681 [0,1,0,0,0,1|2,0,0]=4 2688 B14R1.2879 CCN(C)Cc1ccc(cc1)C(=O)C 2230a_100000225621_100000756337 [0,1,0,0,0,1|1,0,0]=3 2689 B14R1.2879 CCN(C)Cc1ccc(cc1)C(=O)C 269982a_100000225621_100000756337 [0,1,0,0,0,1|1,0,0]=3 2690 B14R1.2879 CCN(C)Cc1ccc(cc1)C(=O)C 26a_100000225621_100000185113 [0,1,0,0,0,1|1,0,0]=3 2691 B14R1.2879 CCN(C)Cc1ccc(cc1)C(=O)N 2230a_100000225621_100000231043 [0,1,0,0,0,1|2,0,0]=4 2692 B14R1.2879 CCN(C)Cc1ccc(cc1)C(=O)N 269982a_100000225621_100000231043 [0,1,0,0,0,1|2,0,0]=4 2693 B14R1.2879 CCN(C)Cc1ccc(cc1)C(=O)[O-] 26a_100000225621_100016998105 [0,1,0,0,0,1|2,0,0]=4 2694 B14R1.2879 CCN(C)Cc1ccc(cc1)C(C)C 2230a_100000225621_100000181262 [0,1,0,0,0,1|2,0,0]=4 2695 B14R1.2879 CCN(C)Cc1ccc(cc1)C(C)C 2230a_100015185869_200000210301 [0,1,0,0,0,1|2,0,0]=4 2696 B14R1.2879 CCN(C)Cc1ccc(cc1)C(C)C 269982a_100000225621_100000181262 [0,1,0,0,0,1|2,0,0]=4 2697 B14R1.2879 CCN(C)Cc1ccc(cc1)C(C)C 269982a_100015185869_200000210301 [0,1,0,0,0,1|2,0,0]=4 2698 B14R1.2879 CCN(C)Cc1ccc(cc1)C(C)C 26a_100000225621_100000181308 [0,1,0,0,0,1|2,0,0]=4 2699 B14R1.2879 CCN(C)Cc1ccc(cc1)S(=O)C 26a_100000225621_200000064373 [0,1,0,0,0,1|2,0,0]=4 2700 B14R1.2879 CCN([13CH3])Cc1ccc(cc1)C(C)C 2230a_100015185869_200025704644 [0,1,0,0,0,1|2,0,0]=4 2701 B14R1.2879 CCN([13CH3])Cc1ccc(cc1)C(C)C 269982a_100015185869_200025704644 [0,1,0,0,0,1|2,0,0]=4 2702 B14R1.2879 CN(C)c1ccc(cc1)CC(=O)CF 1458a_100011218386_100015361967 [0,1,0,0,0,1|1,0,0]=3 2703 B14R1.2879 CN(C)c1ccc(cc1)NC(=O)CO 22a_100016997997_100000210174 [0,1,0,0,0,1|1,0,0]=3 2704 B14R1.2879 CN(C)c1ccc(cc1)NC(=O)CO 527a_100016997997_100000210174 [0,1,0,0,0,1|1,0,0]=3 2705 B14R1.2879 CNC(=O)Cc1ccc(cc1)C(C)C 11a_106832991635_100000689720 [0,1,0,0,0,1|0,0,0]=2 2706 B14R1.2879 CNC(=O)Cc1ccc(cc1)C(C)C 1626a_100102657272_100000689720 [0,1,0,0,0,1|0,0,0]=2 2707 B14R1.2879 CNC(=O)Cc1ccc(cc1)C(C)C 240690a_100102657272_100000689720 [0,1,0,0,0,1|0,0,0]=2 2708 B14R1.2879 CNC(=O)Cc1ccc(cc1)C(C)C 527a_100102657272_100000689720 [0,1,0,0,0,1|0,0,0]=2 2709 B14R1.2879 CNC(=O)Cc1ccc(cc1)N(C)C 11a_106832991635_100011218386 [0,1,0,0,0,1|1,0,0]=3 2710 B14R1.2879 CNC(=O)Cc1ccc(cc1)N(C)C 1626a_100102657272_100011218386 [0,1,0,0,0,1|1,0,0]=3 2711 B14R1.2879 CNC(=O)Cc1ccc(cc1)N(C)C 240690a_100102657272_100011218386 [0,1,0,0,0,1|1,0,0]=3 2712 B14R1.2879 CNC(=O)Cc1ccc(cc1)N(C)C 527a_100102657272_100011218386 [0,1,0,0,0,1|1,0,0]=3 2713 B14R1.2879 CNC(=O)Nc1ccc(cc1)C(C)C 2430a_100000210773_100102657272 [0,1,0,0,0,1|0,0,0]=2 2714 B14R1.2879 CNC(=O)Nc1ccc(cc1)C(C)O 2430a_100011216399_100102657272 [0,1,0,0,0,1|1,0,0]=3 2715 B14R1.2879 CNC(=O)Nc1ccc(cc1)C(C)O 512a_106832991638_100011216399 [0,1,0,0,0,1|1,0,0]=3 2716 B14R1.2879 CNC(=O)Nc1ccc(cc1)C(F)F 2430a_100020620101_100102657272 [0,1,0,0,0,1|2,0,0]=4 2717 B14R1.2879 CNC(=O)Nc1ccc(cc1)N(C)C 2430a_100016997997_100102657272 [0,1,0,0,0,1|1,0,0]=3 2718 B14R1.2879 CNC(C)Cc1ccc(cc1)C(C)C 270004a_106832991635_200011710201 [0,1,0,0,0,1|1,0,1]=4 2719 B14R1.2879 CNC(C)Cc1ccc(cc1)[N+](=O)[O-] 270004a_106832991635_100011217814 [0,1,0,0,0,1|2,0,0]=4 2720 B14R1.2879 COC(=O)Cc1ccc(cc1)C(=O)C 1458a_100000111013_200000210301 [0,1,0,0,0,1|1,0,1]=4 2721 B14R1.2879 COC(=O)Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000111013_200025704644 [0,1,0,0,0,1|1,0,1]=4 2722 B14R1.2879 COC(C)Sc1ccc(cc1)C(=O)C 62a_100000185465_100009879195 [0,1,0,0,0,1|0,0,0]=2 2723 B14R1.2879 COC(C)Sc1ccc(cc1)C(=O)C 62a_100009879195_100000185465 [0,1,0,0,0,1|0,0,0]=2 2724 B14R1.2879 COC(C)Sc1ccc(cc1)C(=O)N 62a_100000162191_100009879195 [0,1,0,0,0,1|1,0,0]=3 2725 B14R1.2879 COC(C)Sc1ccc(cc1)C(=O)N 62a_100009879195_100000162191 [0,1,0,0,0,1|1,0,0]=3 2726 B14R1.2879 COC(C)Sc1ccc(cc1)C(C)C 62a_100000750031_100009879195 [0,1,0,0,0,1|0,0,2]=4 2727 B14R1.2879 COC(C)Sc1ccc(cc1)C(C)C 62a_100009879195_100000750031 [0,1,0,0,0,1|0,0,2]=4 2728 B14R1.2879 COC(C)Sc1ccc(cc1)C(C)O 62a_100000745893_100009879195 [0,1,0,0,0,1|0,0,2]=4 2729 B14R1.2879 COC(C)Sc1ccc(cc1)C(C)O 62a_100009879195_100000745893 [0,1,0,0,0,1|0,0,2]=4 2730 B14R1.2879 COC(C)Sc1ccc(cc1)N(C)C 62a_100000210421_100009879195 [0,1,0,0,0,1|2,0,0]=4 2731 B14R1.2879 COC(C)Sc1ccc(cc1)N(C)C 62a_100009879195_100000210421 [0,1,0,0,0,1|2,0,0]=4 2732 B14R1.2879 COC(C)Sc1ccc(cc1)S(=O)C 62a_100009816266_100009879195 [0,1,0,0,0,1|1,0,0]=3 2733 B14R1.2879 COC(C)Sc1ccc(cc1)[C@@H](C)N 62a_100000720352_100009879195 [0,1,0,0,0,1|1,0,1]=4 2734 B14R1.2879 COC(C)Sc1ccc(cc1)[C@@H](C)N 62a_100009879195_100000720352 [0,1,0,0,0,1|1,0,1]=4 2735 B14R1.2879 COC(C)Sc1ccc(cc1)[C@H](C)N 62a_100000753911_100009879195 [0,1,0,0,0,1|1,0,1]=4 2736 B14R1.2879 COC(C)Sc1ccc(cc1)[C@H](C)N 62a_100009879195_100000753911 [0,1,0,0,0,1|1,0,1]=4 2737 B14R1.2879 COC(C)Sc1ccc(cn1)C(=O)C 62a_100000684857_100009879195 [0,1,0,0,0,1|1,0,0]=3 2738 B14R1.2879 COC(C)Sc1ccc(cn1)C(=O)C 62a_100009879195_100000684857 [0,1,0,0,0,1|1,0,0]=3 2739 B14R1.2879 COC(C)Sc1ccc(cn1)C(=O)N 62a_100000162237_100009879195 [0,1,0,0,0,1|2,0,0]=4 2740 B14R1.2879 COC(C)Sc1ccc(cn1)C(=O)N 62a_100009879195_100000162237 [0,1,0,0,0,1|2,0,0]=4 2741 B14R1.2879 COC(C)Sc1ccc(nc1)C(=O)C 62a_100000686046_100009879195 [0,1,0,0,0,1|1,0,0]=3 2742 B14R1.2879 COC(C)Sc1ccc(nc1)C(=O)C 62a_100009879195_100000686046 [0,1,0,0,0,1|1,0,0]=3 2743 B14R1.2879 COC(C)Sc1ccc(nc1)C(=O)N 62a_100009879195_100011219284 [0,1,0,0,0,1|2,0,0]=4 2744 B14R1.2879 COC(C)Sc1ccc(nc1)C(=O)N 62a_100011219284_100009879195 [0,1,0,0,0,1|2,0,0]=4 2745 B14R1.2879 COC(C)Sc1cnc(cn1)C(=O)C 62a_100009879195_100009883172 [0,1,0,0,0,1|2,0,0]=4 2746 B14R1.2879 COC(C)Sc1cnc(cn1)C(=O)C 62a_100009883172_100009879195 [0,1,0,0,0,1|2,0,0]=4 2747 B14R1.2879 COC(C)Sc1cnc(nc1)C(=O)C 62a_100009879195_100010077182 [0,1,0,0,0,1|2,0,0]=4 2748 B14R1.2879 COC(C)Sc1cnc(nc1)C(=O)C 62a_100010077182_100009879195 [0,1,0,0,0,1|2,0,0]=4 2749 B14R1.2879 COC(C)Sc1ncc(cn1)C(=O)C 62a_100000099681_100009879195 [0,1,0,0,0,1|2,0,0]=4 2750 B14R1.2879 COC(C)Sc1ncc(cn1)C(=O)C 62a_100009879195_100000099681 [0,1,0,0,0,1|2,0,0]=4 2751 B14R1.2879 C[C@H](CF)Nc1ccc(cc1)C(=O)N 27a_100102880703_100000162191 [0,1,0,0,0,1|1,0,0]=3 2752 B14R1.2879 C[C@H](CF)Nc1ccc(cn1)C(=O)N 27a_100102880703_100000162237 [0,1,0,0,0,1|2,0,0]=4 2753 B14R1.2879 C[C@H](CO)Nc1ccc(cc1)C(=O)N 27a_100000737577_100000162191 [0,1,0,0,0,1|1,0,0]=3 2754 B14R1.2879 C[C@H](CO)Nc1ccc(cn1)C(=O)N 27a_100000737577_100000162237 [0,1,0,0,0,1|2,0,0]=4 2755 B14R1.2879 C[C@H](CO)Sc1ccc(cc1)C(=O)N 62a_100000162191_100016084084 [0,1,0,0,0,1|1,0,0]=3 2756 B14R1.2879 C[C@H](CO)Sc1ccc(cc1)C(=O)N 62a_100016084084_100000162191 [0,1,0,0,0,1|1,0,0]=3 2757 B14R1.2879 C[C@H](CO)Sc1ccc(cc1)N(C)C 62a_100000210421_100016084084 [0,1,0,0,0,1|2,0,0]=4 2758 B14R1.2879 C[C@H](CO)Sc1ccc(cc1)N(C)C 62a_100016084084_100000210421 [0,1,0,0,0,1|2,0,0]=4 2759 B14R1.2879 C[C@H](CO)Sc1ccc(cc1)S(=O)C 62a_100009816266_100016084084 [0,1,0,0,0,1|1,0,0]=3 2760 B14R1.2879 C[C@H](CO)Sc1ccc(cc1)[C@@H](C)N 62a_100000720352_100016084084 [0,1,0,0,0,1|1,0,1]=4 2761 B14R1.2879 C[C@H](CO)Sc1ccc(cc1)[C@@H](C)N 62a_100016084084_100000720352 [0,1,0,0,0,1|1,0,1]=4 2762 B14R1.2879 C[C@H](CO)Sc1ccc(cc1)[C@H](C)N 62a_100000753911_100016084084 [0,1,0,0,0,1|1,0,1]=4 2763 B14R1.2879 C[C@H](CO)Sc1ccc(cc1)[C@H](C)N 62a_100016084084_100000753911 [0,1,0,0,0,1|1,0,1]=4 2764 B14R1.2879 C[C@H](CO)Sc1ccc(cn1)C(=O)N 62a_100000162237_100016084084 [0,1,0,0,0,1|2,0,0]=4 2765 B14R1.2879 C[C@H](CO)Sc1ccc(cn1)C(=O)N 62a_100016084084_100000162237 [0,1,0,0,0,1|2,0,0]=4 2766 B14R1.2879 C[C@H](CO)Sc1ccc(nc1)C(=O)N 62a_100011219284_100016084084 [0,1,0,0,0,1|2,0,0]=4 2767 B14R1.2879 C[C@H](CO)Sc1ccc(nc1)C(=O)N 62a_100016084084_100011219284 [0,1,0,0,0,1|2,0,0]=4 2768 B14R1.2879 O=C(CO)Cc1ccc(cc1)C(F)F 1458a_100000210174_200012343607 [0,1,0,0,0,1|2,0,0]=4 2769 B14R1.2879 O=C(CO)Nc1ccc(cc1)C(F)F 22a_100020620101_100000210174 [0,1,0,0,0,1|2,0,0]=4 2770 B14R1.2879 O=C(CO)Nc1ccc(cc1)C(F)F 527a_100020620101_100000210174 [0,1,0,0,0,1|2,0,0]=4 2771 B14R1.5801 C=C(C)c1ccc(cc1C)NC(=O)C 271570a_100000694244_100000155607 [0,1,0,0,0,1|0,0,2]=4 2772 B14R1.5801 C=C(C)c1ccc(cc1F)NC(=O)C 271570a_100000694244_100011219590 [0,1,0,0,0,1|0,0,2]=4 2773 B14R1.5801 C=C(C)c1ccc(cc1F)OC(C)C 271570a_100000694244_200012236954 [0,1,0,0,0,1|1,0,0]=3 2774 B14R1.5801 C=C(C)c1ccc(nc1C)OC(C)C 271570a_100000694244_200012350186 [0,1,0,0,0,1|2,0,0]=4 2775 B14R1.5801 CC(=Cc1ccc(c(c1)Br)C(=O)N)C 271570a_100102525489_200010146565 [0,1,0,0,0,1|1,0,1]=4 2776 B14R1.5801 CC(=Cc1ccc(c(c1)C)C(=O)N)C 271570a_100102525489_100011327924 [0,1,0,0,0,1|1,0,1]=4 2777 B14R1.5801 CC(=Cc1ccc(c(c1)F)C(=O)N)C 271570a_100102525489_100000216903 [0,1,0,0,0,1|1,0,1]=4 2778 B14R1.5801 CC(=Cc1ccc(c(c1)F)C(C)N)C 271570a_100102525489_100000730447 [0,1,0,0,0,1|2,0,0]=4 2779 B14R1.5801 CC(=Cc1ccc(c(c1)N)C(=O)N)C 271570a_100102525489_100012349972 [0,1,0,0,0,1|1,0,1]=4 2780 B14R1.5801 CC(=Cc1ccc(c(c1)N)N(C)C)C 271570a_100102525489_100000737018 [0,1,0,0,0,1|2,0,0]=4 2781 B14R1.5801 CC(=Cc1ccc(c(c1)O)C(=O)N)C 271570a_100102525489_100011550861 [0,1,0,0,0,1|1,0,1]=4 2782 B14R1.5801 CC(=O)Nc1ccc(c(c1)Br)N(C)C 11a_100011534197_100015343762 [0,1,0,0,0,1|1,0,0]=3 2783 B14R1.5801 CC(=O)Nc1ccc(c(c1)Br)N(C)C 1626a_100011534197_100015343762 [0,1,0,0,0,1|1,0,0]=3 2784 B14R1.5801 CC(=O)Nc1ccc(c(c1)Br)N(C)C 22a_100011534197_100000070787 [0,1,0,0,0,1|1,0,0]=3 2785 B14R1.5801 CC(=O)Nc1ccc(c(c1)Br)N(C)C 527a_100011534197_100103153847 [0,1,0,0,0,1|1,0,0]=3 2786 B14R1.5801 CC(=O)Nc1ccc(c(c1)C)C(=O)C 1458a_100011218334_200000210301 [0,1,0,0,0,1|1,0,1]=4 2787 B14R1.5801 CC(=O)Nc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100011218334_200025704644 [0,1,0,0,0,1|1,0,1]=4 2788 B14R1.5801 CC(=O)Nc1ccc(c(c1)C)C(C)C 11a_100000005830_100015343762 [0,1,0,0,0,1|0,0,0]=2 2789 B14R1.5801 CC(=O)Nc1ccc(c(c1)C)C(C)C 1626a_100000005830_100015343762 [0,1,0,0,0,1|0,0,0]=2 2790 B14R1.5801 CC(=O)Nc1ccc(c(c1)C)C(C)C 22a_100000005830_100000070787 [0,1,0,0,0,1|0,0,0]=2 2791 B14R1.5801 CC(=O)Nc1ccc(c(c1)C)C(C)C 527a_100000005830_100103153847 [0,1,0,0,0,1|0,0,0]=2 2792 B14R1.5801 CC(=O)Nc1ccc(c(c1)C)N(C)C 11a_100000738307_100015343762 [0,1,0,0,0,1|1,0,0]=3 2793 B14R1.5801 CC(=O)Nc1ccc(c(c1)C)N(C)C 1626a_100000738307_100015343762 [0,1,0,0,0,1|1,0,0]=3 2794 B14R1.5801 CC(=O)Nc1ccc(c(c1)C)N(C)C 22a_100000738307_100000070787 [0,1,0,0,0,1|1,0,0]=3 2795 B14R1.5801 CC(=O)Nc1ccc(c(c1)C)N(C)C 527a_100000738307_100103153847 [0,1,0,0,0,1|1,0,0]=3 2796 B14R1.5801 CC(=O)Nc1ccc(c(c1)Cl)C(=O)C 1458a_100000690302_200000210301 [0,1,0,0,0,1|1,0,1]=4 2797 B14R1.5801 CC(=O)Nc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000690302_200025704644 [0,1,0,0,0,1|1,0,1]=4 2798 B14R1.5801 CC(=O)Nc1ccc(c(c1)Cl)N(C)C 11a_100000742791_100015343762 [0,1,0,0,0,1|1,0,0]=3 2799 B14R1.5801 CC(=O)Nc1ccc(c(c1)Cl)N(C)C 1626a_100000742791_100015343762 [0,1,0,0,0,1|1,0,0]=3 2800 B14R1.5801 CC(=O)Nc1ccc(c(c1)Cl)N(C)C 22a_100000742791_100000070787 [0,1,0,0,0,1|1,0,0]=3 2801 B14R1.5801 CC(=O)Nc1ccc(c(c1)Cl)N(C)C 527a_100000742791_100103153847 [0,1,0,0,0,1|1,0,0]=3 2802 B14R1.5801 CC(=O)Nc1ccc(c(c1)F)C(=O)C 1458a_100012179589_200000210301 [0,1,0,0,0,1|1,0,1]=4 2803 B14R1.5801 CC(=O)Nc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100012179589_200025704644 [0,1,0,0,0,1|1,0,1]=4 2804 B14R1.5801 CC(=O)Nc1ccc(c(c1)F)N(C)C 11a_100011248830_100015343762 [0,1,0,0,0,1|1,0,0]=3 2805 B14R1.5801 CC(=O)Nc1ccc(c(c1)F)N(C)C 1626a_100011248830_100015343762 [0,1,0,0,0,1|1,0,0]=3 2806 B14R1.5801 CC(=O)Nc1ccc(c(c1)F)N(C)C 22a_100011248830_100000070787 [0,1,0,0,0,1|1,0,0]=3 2807 B14R1.5801 CC(=O)Nc1ccc(c(c1)F)N(C)C 527a_100011248830_100103153847 [0,1,0,0,0,1|1,0,0]=3 2808 B14R1.5801 CC(=O)Nc1ccc(c(c1)O)C(=O)C 1458a_100011194132_200000210301 [0,1,0,0,0,1|1,0,1]=4 2809 B14R1.5801 CC(=O)Nc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100011194132_200025704644 [0,1,0,0,0,1|1,0,1]=4 2810 B14R1.5801 CC(=O)c1ccc(cc1Br)OC(C)C 34a_100012340537_100000210206 [0,1,0,0,0,1|0,0,0]=2 2811 B14R1.5801 CC(=O)c1ccc(cc1Br)OC(C)C 7a_100012340537_100000210206 [0,1,0,0,0,1|0,0,0]=2 2812 B14R1.5801 CC(=O)c1ccc(cc1C)C=C(C)C 271570a_100102525489_100012360112 [0,1,0,0,0,1|0,0,1]=3 2813 B14R1.5801 CC(=O)c1ccc(cc1C)OC(C)C 34a_100000702595_100000210206 [0,1,0,0,0,1|0,0,0]=2 2814 B14R1.5801 CC(=O)c1ccc(cc1C)OC(C)C 7a_100000702595_100000210206 [0,1,0,0,0,1|0,0,0]=2 2815 B14R1.5801 CC(=O)c1ccc(cc1C)SC(C)C 62a_100000210206_100012360112 [0,1,0,0,0,1|0,0,0]=2 2816 B14R1.5801 CC(=O)c1ccc(cc1C)SC(C)C 62a_100012360112_100000210206 [0,1,0,0,0,1|0,0,0]=2 2817 B14R1.5801 CC(=O)c1ccc(cc1Cl)OC(C)C 1458a_100011780059_200000210301 [0,1,0,0,0,1|0,0,0]=2 2818 B14R1.5801 CC(=O)c1ccc(cc1Cl)OC(C)C 34a_100011933989_100000210206 [0,1,0,0,0,1|0,0,0]=2 2819 B14R1.5801 CC(=O)c1ccc(cc1Cl)OC(C)C 7a_100011933989_100000210206 [0,1,0,0,0,1|0,0,0]=2 2820 B14R1.5801 CC(=O)c1ccc(cc1F)C=C(C)C 271570a_100102525489_100000690205 [0,1,0,0,0,1|0,0,1]=3 2821 B14R1.5801 CC(=O)c1ccc(cc1F)NC(C)C 27a_100138425928_100000690205 [0,1,0,0,0,1|0,0,0]=2 2822 B14R1.5801 CC(=O)c1ccc(cc1F)OC(C)C 34a_100000752407_100000210206 [0,1,0,0,0,1|0,0,0]=2 2823 B14R1.5801 CC(=O)c1ccc(cc1F)OC(C)C 7a_100000752407_100000210206 [0,1,0,0,0,1|0,0,0]=2 2824 B14R1.5801 CC(=O)c1ccc(cc1F)OC(F)F 1458a_100011830239_200000210301 [0,1,0,0,0,1|2,0,0]=4 2825 B14R1.5801 CC(=O)c1ccc(cc1F)SC(C)C 62a_100000690205_100000210206 [0,1,0,0,0,1|0,0,0]=2 2826 B14R1.5801 CC(=O)c1ccc(cc1N)C=C(C)C 271570a_100102525489_100011590516 [0,1,0,0,0,1|0,0,1]=3 2827 B14R1.5801 CC(=O)c1ccc(cc1N)SC(C)C 62a_100011590516_100000210206 [0,1,0,0,0,1|0,0,0]=2 2828 B14R1.5801 CC(=O)c1ccc(cc1O)C=C(C)C 271570a_100102525489_100000188348 [0,1,0,0,0,1|0,0,1]=3 2829 B14R1.5801 CC(=O)c1ncc(cc1F)C=C(C)C 271570a_100102525489_100000696590 [0,1,0,0,0,1|1,0,1]=4 2830 B14R1.5801 CC(=O)c1ncc(cc1F)SC(C)C 62a_100000210206_100000696590 [0,1,0,0,0,1|1,0,0]=3 2831 B14R1.5801 CC(=O)c1ncc(cc1F)SC(C)C 62a_100000696590_100000210206 [0,1,0,0,0,1|1,0,0]=3 2832 B14R1.5801 CC(C)Nc1ccc(c(c1)Br)C(=O)N 27a_100138425928_200010146565 [0,1,0,0,0,1|1,0,0]=3 2833 B14R1.5801 CC(C)Nc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_100000210206 [0,1,0,0,0,1|2,0,0]=4 2834 B14R1.5801 CC(C)Nc1ccc(c(c1)Cl)C(=O)N 34a_100000737725_100000210206 [0,1,0,0,0,1|1,0,0]=3 2835 B14R1.5801 CC(C)Nc1ccc(c(c1)Cl)C(=O)N 7a_100000737725_100000210206 [0,1,0,0,0,1|1,0,0]=3 2836 B14R1.5801 CC(C)Nc1ccc(c(c1)Cl)N(C)C 34a_100000742791_100000210206 [0,1,0,0,0,1|2,0,0]=4 2837 B14R1.5801 CC(C)Nc1ccc(c(c1)F)C(=O)N 27a_100138425928_100000216903 [0,1,0,0,0,1|1,0,0]=3 2838 B14R1.5801 CC(C)Nc1ccc(c(c1)F)C(=O)N 34a_100000749959_100000210206 [0,1,0,0,0,1|1,0,0]=3 2839 B14R1.5801 CC(C)Nc1ccc(c(c1)F)C(=O)N 7a_100000749959_100000210206 [0,1,0,0,0,1|1,0,0]=3 2840 B14R1.5801 CC(C)Nc1ccc(c(c1)F)N(C)C 34a_100011248830_100000210206 [0,1,0,0,0,1|2,0,0]=4 2841 B14R1.5801 CC(C)Nc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_100000210206 [0,1,0,0,0,1|2,0,0]=4 2842 B14R1.5801 CC(C)Nc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_100000210206 [0,1,0,0,0,1|2,0,0]=4 2843 B14R1.5801 CC(C)Nc1ccc(c(c1)O)C(=O)N 34a_100000223280_100000210206 [0,1,0,0,0,1|1,0,0]=3 2844 B14R1.5801 CC(C)Nc1ccc(c(c1)O)C(=O)N 7a_100000223280_100000210206 [0,1,0,0,0,1|1,0,0]=3 2845 B14R1.5801 CC(C)Nc1ccc(c(n1)N)C(=O)N 27a_100138425928_100009875182 [0,1,0,0,0,1|2,0,0]=4 2846 B14R1.5801 CC(C)Nc1cnc(c(c1)F)C(=O)N 27a_100138425928_200010161073 [0,1,0,0,0,1|2,0,0]=4 2847 B14R1.5801 CC(C)Oc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100000210206 [0,1,0,0,0,1|2,0,0]=4 2848 B14R1.5801 CC(C)Oc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100000210206 [0,1,0,0,0,1|2,0,0]=4 2849 B14R1.5801 CC(C)Oc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_100000210206 [0,1,0,0,0,1|1,0,0]=3 2850 B14R1.5801 CC(C)Oc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_100000210206 [0,1,0,0,0,1|1,0,0]=3 2851 B14R1.5801 CC(C)Oc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100011780059_200025704644 [0,1,0,0,0,1|0,0,0]=2 2852 B14R1.5801 CC(C)Oc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100000210206 [0,1,0,0,0,1|2,0,0]=4 2853 B14R1.5801 CC(C)Oc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100000210206 [0,1,0,0,0,1|2,0,0]=4 2854 B14R1.5801 CC(C)Oc1ccc(c(c1)F)C(=O)N 34a_200012186767_100000210206 [0,1,0,0,0,1|1,0,0]=3 2855 B14R1.5801 CC(C)Oc1ccc(c(c1)F)C(=O)N 7a_200012186767_100000210206 [0,1,0,0,0,1|1,0,0]=3 2856 B14R1.5801 CC(C)Oc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100000210206 [0,1,0,0,0,1|2,0,0]=4 2857 B14R1.5801 CC(C)Oc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100000210206 [0,1,0,0,0,1|2,0,0]=4 2858 B14R1.5801 CC(C)Oc1ccc(c(c1)N)C(=O)N 34a_100012186684_100000210206 [0,1,0,0,0,1|1,0,0]=3 2859 B14R1.5801 CC(C)Oc1ccc(c(c1)N)C(=O)N 7a_100012186684_100000210206 [0,1,0,0,0,1|1,0,0]=3 2860 B14R1.5801 CC(C)Oc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100000210206 [0,1,0,0,0,1|2,0,0]=4 2861 B14R1.5801 CC(C)Sc1ccc(c(c1)Br)C(=O)N 62a_200010146565_100000210206 [0,1,0,0,0,1|1,0,0]=3 2862 B14R1.5801 CC(C)Sc1ccc(c(c1)F)C(=O)N 62a_100000216903_100000210206 [0,1,0,0,0,1|1,0,0]=3 2863 B14R1.5801 CC(C)Sc1ccc(c(c1)F)C(C)N 62a_100000210206_100000730447 [0,1,0,0,0,1|1,0,1]=4 2864 B14R1.5801 CC(C)Sc1ccc(c(c1)F)C(C)N 62a_100000730447_100000210206 [0,1,0,0,0,1|1,0,1]=4 2865 B14R1.5801 CC(C)Sc1ccc(c(c1)N)C(=O)N 62a_100012349972_100000210206 [0,1,0,0,0,1|1,0,0]=3 2866 B14R1.5801 CC(C)Sc1ccc(c(c1)N)N(C)C 62a_100000210206_100000737018 [0,1,0,0,0,1|2,0,0]=4 2867 B14R1.5801 CC(C)Sc1ccc(c(c1)N)N(C)C 62a_100000737018_100000210206 [0,1,0,0,0,1|2,0,0]=4 2868 B14R1.5801 CC(C)Sc1ccc(c(c1)O)C(=O)N 62a_100011550861_100000210206 [0,1,0,0,0,1|1,0,0]=3 2869 B14R1.5801 CC(C)Sc1ccc(c(n1)N)C(=O)N 62a_100009875182_100000210206 [0,1,0,0,0,1|2,0,0]=4 2870 B14R1.5801 CC(C)Sc1cnc(c(c1)F)C(=O)N 62a_100000210206_200010161073 [0,1,0,0,0,1|2,0,0]=4 2871 B14R1.5801 CC(C)Sc1cnc(c(c1)F)C(=O)N 62a_200010161073_100000210206 [0,1,0,0,0,1|2,0,0]=4 2872 B14R1.5801 CC(C)Sc1cnc(c(c1)N)C(=O)N 62a_100000210206_100010235749 [0,1,0,0,0,1|2,0,0]=4 2873 B14R1.5801 CC(C)Sc1cnc(c(c1)N)C(=O)N 62a_100010235749_100000210206 [0,1,0,0,0,1|2,0,0]=4 2874 B14R1.5801 Cc1cc(ccc1C(=O)N)NC(C)C 27a_100138425928_100011327924 [0,1,0,0,0,1|1,0,0]=3 2875 B14R1.5801 Cc1cc(ccc1C(=O)N)NC(C)C 34a_200000751758_100000210206 [0,1,0,0,0,1|1,0,0]=3 2876 B14R1.5801 Cc1cc(ccc1C(=O)N)NC(C)C 7a_200000751758_100000210206 [0,1,0,0,0,1|1,0,0]=3 2877 B14R1.5801 Cc1cc(ccc1C(=O)N)SC(C)C 62a_100000210206_100011327924 [0,1,0,0,0,1|1,0,0]=3 2878 B14R1.5801 Cc1cc(ccc1C(=O)N)SC(C)C 62a_100011327924_100000210206 [0,1,0,0,0,1|1,0,0]=3 2879 B14R1.5801 Cc1cc(ccc1C(C)C)NC(C)C 2230a_100000005830_100000210206 [0,1,0,0,0,1|1,0,1]=4 2880 B14R1.5801 Cc1cc(ccc1C(C)C)NC(C)C 34a_100000005830_100000210206 [0,1,0,0,0,1|1,0,1]=4 2881 B14R1.5801 Cc1cc(ccc1C(C)C)NC(C)C 7a_100000005830_100000210206 [0,1,0,0,0,1|1,0,1]=4 2882 B14R1.5801 Cc1cc(ccc1C(C)C)OC(C)C 34a_100000210824_100000210206 [0,1,0,0,0,1|1,0,1]=4 2883 B14R1.5801 Cc1cc(ccc1C(C)C)OC(C)C 7a_100000210824_100000210206 [0,1,0,0,0,1|1,0,1]=4 2884 B14R1.5801 Cc1cc(ccc1N(C)C)NC(C)C 34a_100000738307_100000210206 [0,1,0,0,0,1|2,0,0]=4 2885 B14R1.5801 Cc1cc(ccc1[N+](=O)[O-])NC(C)C 34a_100000745639_100000210206 [0,1,0,0,0,1|2,0,0]=4 2886 B14R1.5801 Cc1cc(ccc1[N+](=O)[O-])NC(C)C 7a_100000745639_100000210206 [0,1,0,0,0,1|2,0,0]=4 2887 B14R1.5801 Cc1cc(ccc1[N+](=O)[O-])OC(C)C 34a_100000195451_100000210206 [0,1,0,0,0,1|2,0,0]=4 2888 B14R1.5801 Cc1cc(ccc1[N+](=O)[O-])OC(C)C 7a_100000195451_100000210206 [0,1,0,0,0,1|2,0,0]=4 2889 B14R1.5801 Cc1cc(ncc1C(=O)N)NC(C)C 27a_100138425928_200134614278 [0,1,0,0,0,1|2,0,0]=4 2890 B14R1.5801 Cc1cc(ncc1C(=O)N)SC(C)C 62a_100000210206_200134614278 [0,1,0,0,0,1|2,0,0]=4 2891 B14R1.5801 Cc1cc(ncc1C(=O)N)SC(C)C 62a_200134614278_100000210206 [0,1,0,0,0,1|2,0,0]=4 2892 B14R1.5801 [13CH3]C(=O)c1ccc(cc1F)OC(F)F 1458a_100011830239_200025704644 [0,1,0,0,0,1|2,0,0]=4 2893 B14R1.6402 C=C(C)c1ccc(cc1)C(=C(C)C)C 271570a_200000049429_100000185454 [0,1,0,0,0,1|1,0,1]=4 2894 B14R1.6402 C=C(C)c1ccc(cc1)C(=O)C(C)C 1458a_200009908186_100000210206 [0,1,0,0,0,1|1,0,0]=3 2895 B14R1.6402 C=C(C)c1ccc(cc1)C(=O)C(C)C 271570a_100000694244_100011220430 [0,1,0,0,0,1|1,0,0]=3 2896 B14R1.6402 C=C(C)c1ccc(cc1)C(=O)N(C)C 11a_100102631434_200009908186 [0,1,0,0,0,1|2,0,0]=4 2897 B14R1.6402 C=C(C)c1ccc(cc1)C(=O)N(C)C 1626a_100102631434_200009908186 [0,1,0,0,0,1|2,0,0]=4 2898 B14R1.6402 C=C(C)c1ccc(cc1)C(=O)N(C)C 240690a_100102631434_200009908186 [0,1,0,0,0,1|2,0,0]=4 2899 B14R1.6402 C=C(C)c1ccc(cc1)C(=O)N(C)C 271570a_100000694244_100000159574 [0,1,0,0,0,1|2,0,0]=4 2900 B14R1.6402 C=C(C)c1ccc(cc1)C(=O)N(C)C 527a_100102631434_200009908186 [0,1,0,0,0,1|2,0,0]=4 2901 B14R1.6402 C=C(C)c1ccc(cc1)N(C)C(=O)C 271570a_100000694244_200009816415 [0,1,0,0,0,1|0,0,2]=4 2902 B14R1.6402 C=C(C)c1ccc(cc1)S(=O)C(C)C 271570a_100000694244_100010749287 [0,1,0,0,0,1|1,0,0]=3 2903 B14R1.6402 C=C(C)c1ccc(cc1)[C@@H](N)C(C)C 271570a_100000694244_100102422763 [0,1,0,0,0,1|1,0,0]=3 2904 B14R1.6402 CC(=C(C)c1ccc(cc1)C(=O)N)C 271570a_200000049429_100000162191 [0,1,0,0,0,1|1,0,1]=4 2905 B14R1.6402 CC(=C(C)c1ccc(cc1)C(C)C)C 271570a_200000049429_100000750031 [0,1,0,0,0,1|1,0,0]=3 2906 B14R1.6402 CC(=C(C)c1ccc(cc1)C(C)O)C 271570a_200000049429_100000745893 [0,1,0,0,0,1|2,0,0]=4 2907 B14R1.6402 CC(=C(C)c1ccc(cc1)N(C)C)C 271570a_200000049429_100000210421 [0,1,0,0,0,1|2,0,0]=4 2908 B14R1.6402 CC(=C(C)c1ccc(cc1)S(=O)C)C 271570a_200000049429_100009816266 [0,1,0,0,0,1|1,0,1]=4 2909 B14R1.6402 CC(=C(C)c1ccc(cc1)[C@@H](C)N)C 271570a_200000049429_100000720352 [0,1,0,0,0,1|2,0,0]=4 2910 B14R1.6402 CC(=C(C)c1ccc(cc1)[C@H](C)N)C 271570a_200000049429_100000753911 [0,1,0,0,0,1|2,0,0]=4 2911 B14R1.6402 CC(=C(C)c1ccc(cn1)C(C)C)C 271570a_200000049429_200009815286 [0,1,0,0,0,1|2,0,0]=4 2912 B14R1.6402 CC(=C(C)c1ccc(nc1)C(C)C)C 271570a_200000049429_100010255768 [0,1,0,0,0,1|2,0,0]=4 2913 B14R1.6402 CC(=O)C(C)c1ccc(cc1)C(C)C 1458a_100000070787_200000700246 [0,1,0,0,0,1|0,0,0]=2 2914 B14R1.6402 CC(=O)N(C)c1ccc(cc1)C(C)C 11a_100000688768_100015343762 [0,1,0,0,0,1|0,0,0]=2 2915 B14R1.6402 CC(=O)N(C)c1ccc(cc1)C(C)C 1626a_100000688768_100015343762 [0,1,0,0,0,1|0,0,0]=2 2916 B14R1.6402 CC(=O)N(C)c1ccc(cc1)C(C)C 22a_100000688768_100000070787 [0,1,0,0,0,1|0,0,0]=2 2917 B14R1.6402 CC(=O)N(C)c1ccc(cc1)C(C)C 527a_100000688768_100103153847 [0,1,0,0,0,1|0,0,0]=2 2918 B14R1.6402 CC(=O)c1ccc(cc1)C(=C(C)C)C 271570a_200000049429_100000185465 [0,1,0,0,0,1|0,0,1]=3 2919 B14R1.6402 CC(=O)c1ccc(cn1)C(=C(C)C)C 271570a_200000049429_100000686046 [0,1,0,0,0,1|1,0,1]=4 2920 B14R1.6402 CC(=O)c1ccc(nc1)C(=C(C)C)C 271570a_200000049429_100000684857 [0,1,0,0,0,1|1,0,1]=4 2921 B14R1.6402 CC(=O)c1ccc(nc1)N(C)C(C)C 27a_200000211004_100000690552 [0,1,0,0,0,1|1,0,0]=3 2922 B14R1.6402 CC(=O)c1cnc(cn1)N(C)C(C)C 27a_200000211004_100009883172 [0,1,0,0,0,1|2,0,0]=4 2923 B14R1.6402 CC(=O)c1cnc(nc1)N(C)C(C)C 27a_200000211004_100000099681 [0,1,0,0,0,1|2,0,0]=4 2924 B14R1.6402 CC(C)C(=O)c1ccc(cc1)C(=O)N 1458a_100000230133_100000210206 [0,1,0,0,0,1|1,0,0]=3 2925 B14R1.6402 CC(C)C(=O)c1ccc(cc1)C(C)C 1458a_100000210772_100000210206 [0,1,0,0,0,1|1,0,1]=4 2926 B14R1.6402 CC(C)C(=O)c1ccc(cc1)C(C)O 1458a_100000076921_100000210206 [0,1,0,0,0,1|0,0,2]=4 2927 B14R1.6402 CC(C)C(=O)c1ccc(cc1)N(C)C 1458a_100000210873_100000210206 [0,1,0,0,0,1|2,0,0]=4 2928 B14R1.6402 CC(C)C(=O)c1ccc(cc1)N(C)C 27a_100102631434_100011220430 [0,1,0,0,0,1|2,0,0]=4 2929 B14R1.6402 CC(C)C(=O)c1ccc(cc1)S(=O)C 1458a_200000217594_100000210206 [0,1,0,0,0,1|1,0,0]=3 2930 B14R1.6402 CC(C)C(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_100000210206 [0,1,0,0,0,1|2,0,0]=4 2931 B14R1.6402 CC(C)N(C)c1ccc(cc1)C(=O)N 27a_200000211004_100000162191 [0,1,0,0,0,1|1,0,0]=3 2932 B14R1.6402 CC(C)N(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156089_200000210301 [0,1,0,0,0,1|2,0,0]=4 2933 B14R1.6402 CC(C)N(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_100000210206 [0,1,0,0,0,1|2,0,0]=4 2934 B14R1.6402 CC(C)N(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156089_200000210301 [0,1,0,0,0,1|2,0,0]=4 2935 B14R1.6402 CC(C)N(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_100000210206 [0,1,0,0,0,1|2,0,0]=4 2936 B14R1.6402 CC(C)N(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156089_200000210301 [0,1,0,0,0,1|2,0,0]=4 2937 B14R1.6402 CC(C)N(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_100000210206 [0,1,0,0,0,1|2,0,0]=4 2938 B14R1.6402 CC(C)N(C)c1ccc(cc1)[N+](=O)[O-] 7a_100000156089_200000210301 [0,1,0,0,0,1|2,0,0]=4 2939 B14R1.6402 CC(C)N(C)c1ccc(cn1)C(=O)N 27a_200000211004_100000162237 [0,1,0,0,0,1|2,0,0]=4 2940 B14R1.6402 CC(C)N([13CH3])c1ccc(cc1)[N+](=O)[O-] 2230a_100000156089_200025704644 [0,1,0,0,0,1|2,0,0]=4 2941 B14R1.6402 CC(C)N([13CH3])c1ccc(cc1)[N+](=O)[O-] 269982a_100000156089_200025704644 [0,1,0,0,0,1|2,0,0]=4 2942 B14R1.6402 CC(C)N([13CH3])c1ccc(cc1)[N+](=O)[O-] 34a_100000156089_200025704644 [0,1,0,0,0,1|2,0,0]=4 2943 B14R1.6402 CC(C)N([13CH3])c1ccc(cc1)[N+](=O)[O-] 7a_100000156089_200025704644 [0,1,0,0,0,1|2,0,0]=4 2944 B14R1.6402 CC(C)c1ccc(cc1)C(=O)N(C)C 11a_100102631434_100000210772 [0,1,0,0,0,1|2,0,0]=4 2945 B14R1.6402 CC(C)c1ccc(cc1)C(=O)N(C)C 1626a_100102631434_100000210772 [0,1,0,0,0,1|2,0,0]=4 2946 B14R1.6402 CC(C)c1ccc(cc1)C(=O)N(C)C 240690a_100102631434_100000210772 [0,1,0,0,0,1|2,0,0]=4 2947 B14R1.6402 CC(C)c1ccc(cc1)C(=O)N(C)C 527a_100102631434_100000210772 [0,1,0,0,0,1|2,0,0]=4 2948 B14R1.6402 CC(C)c1ccc(cc1)C(C)N(C)C 2230a_100102631434_200000700246 [0,1,0,0,0,1|2,0,0]=4 2949 B14R1.6402 CC(C)c1ccc(cc1)C(C)N(C)C 269982a_100102631434_200000700246 [0,1,0,0,0,1|2,0,0]=4 2950 B14R1.6402 CC(C)c1ccc(cc1)N(C)C(C)C 2230a_100000688768_100000210206 [0,1,0,0,0,1|1,0,1]=4 2951 B14R1.6402 CC(C)c1ccc(cc1)N(C)C(C)C 269982a_100000688768_100000210206 [0,1,0,0,0,1|1,0,1]=4 2952 B14R1.6402 CC(C)c1ccc(cc1)N(C)C(C)C 34a_100000688768_100000210206 [0,1,0,0,0,1|1,0,1]=4 2953 B14R1.6402 CC(C)c1ccc(cc1)N(C)C(C)C 38a_100000688768_100000210206 [0,1,0,0,0,1|1,0,1]=4 2954 B14R1.6402 CN(C)C(=O)c1ccc(cc1)C(=O)N 11a_100102631434_100000230133 [0,1,0,0,0,1|2,0,0]=4 2955 B14R1.6402 CN(C)C(=O)c1ccc(cc1)C(=O)N 1626a_100102631434_100000230133 [0,1,0,0,0,1|2,0,0]=4 2956 B14R1.6402 CN(C)C(=O)c1ccc(cc1)C(=O)N 240690a_100102631434_100000230133 [0,1,0,0,0,1|2,0,0]=4 2957 B14R1.6402 CN(C)C(=O)c1ccc(cc1)S(=O)C 1626a_100102631434_200000217594 [0,1,0,0,0,1|2,0,0]=4 2958 B14R1.6402 CN(C)C(=O)c1ccc(cc1)S(=O)C 240690a_100102631434_200000217594 [0,1,0,0,0,1|2,0,0]=4 2959 B14R1.6402 CN(C)C(=O)c1ccc(cc1)S(=O)C 527a_100102631434_200000217594 [0,1,0,0,0,1|2,0,0]=4 2960 B14R1.43 C=C(C)c1ccc(c(c1)C=O)N(C)C 271570a_100000694244_100012753127 [0,2,0,0,0,0|2,0,0]=4 2961 B14R1.43 C=C(C)c1ccc(c(c1)OC)C(=O)C 271570a_100000694244_100000709911 [0,2,0,0,0,0|0,0,2]=4 2962 B14R1.43 C=C(C)c1ccc(cc1C#N)C(=O)C 271570a_100000694244_100010125495 [0,2,0,0,0,0|0,0,2]=4 2963 B14R1.43 C=C(C)c1ccc(cc1OC)C(=O)C 271570a_100000694244_100010110075 [0,2,0,0,0,0|0,0,2]=4 2964 B14R1.43 C=C(C)c1ccc(cc1OC)C(C)C 271570a_100000694244_100021623167 [0,2,0,0,0,0|1,0,0]=3 2965 B14R1.43 C=Cc1cc(cnc1C(C)C)C(=O)C 271570a_100011290941_100010986958 [0,2,0,0,0,0|1,0,0]=3 2966 B14R1.43 CC(=O)c1ccc(c(c1)C#N)N(C)C 27a_100102631434_100010125495 [0,2,0,0,0,0|1,0,0]=3 2967 B14R1.43 CC(=O)c1ccc(cc1O[13CH3])N(C)C 34a_100000684426_200025704644 [0,2,0,0,0,0|1,0,0]=3 2968 B14R1.43 CC(=O)c1cnc(c(c1)S[13CH3])C(C)C 62a_100010986958_200025704644 [0,2,0,0,0,0|1,0,0]=3 2969 B14R1.43 CC(=O)c1cnc(c(c1)S[13CH3])C(C)C 62a_200025704644_100010986958 [0,2,0,0,0,0|1,0,0]=3 2970 B14R1.43 CC(C)c1ccc(c(c1)O[13CH3])C(C)C 34a_100009874869_200025704644 [0,2,0,0,0,0|1,0,1]=4 2971 B14R1.43 CC(C)c1ccc(c(c1)O[13CH3])C(C)C 7a_100009874869_200025704644 [0,2,0,0,0,0|1,0,1]=4 2972 B14R1.43 CC(C)c1ccc(cc1N[13CH3])[N+](=O)[O-] 34a_200016202644_200025704644 [0,2,0,0,0,0|2,0,0]=4 2973 B14R1.43 CC(C)c1ccc(cc1N[13CH3])[N+](=O)[O-] 7a_200016202644_200025704644 [0,2,0,0,0,0|2,0,0]=4 2974 B14R1.43 CNc1cc(ccc1C(C)C)[N+](=O)[O-] 34a_200016202644_200000210301 [0,2,0,0,0,0|2,0,0]=4 2975 B14R1.43 CNc1cc(ccc1C(C)C)[N+](=O)[O-] 7a_200016202644_200000210301 [0,2,0,0,0,0|2,0,0]=4 2976 B14R1.43 CNc1cc(cnc1C(C)C)C(=O)C 27a_100102657272_100010986958 [0,2,0,0,0,0|1,0,0]=3 2977 B14R1.43 COc1cc(ccc1C(=O)C)N(C)C 34a_100000684426_200000210301 [0,2,0,0,0,0|1,0,0]=3 2978 B14R1.43 COc1cc(ccc1C(C)C)C(C)C 34a_100009874869_200000210301 [0,2,0,0,0,0|1,0,1]=4 2979 B14R1.43 COc1cc(ccc1C(C)C)C(C)C 7a_100009874869_200000210301 [0,2,0,0,0,0|1,0,1]=4 2980 B14R1.43 COc1cc(ccc1N(C)C)C(=O)N 27a_100102631434_100009817049 [0,2,0,0,0,0|2,0,0]=4 2981 B14R1.43 CSc1cc(cnc1C(C)C)C(=O)C 62a_100010986958_200000210301 [0,2,0,0,0,0|1,0,0]=3 2982 B14R1.43 CSc1cc(cnc1C(C)C)C(=O)C 62a_200000210301_100010986958 [0,2,0,0,0,0|1,0,0]=3 2983 B14R1.747 C=C(C)c1ccc(cc1Br)C(=O)OC 271570a_100000694244_100011294788 [0,2,0,0,0,0|0,0,2]=4 2984 B14R1.747 C=C(C)c1ccc(cc1C)C(=O)CC 271570a_100000694244_200012349626 [0,2,0,0,0,0|0,0,2]=4 2985 B14R1.747 C=C(C)c1ccc(cc1C)C(=O)NC 271570a_100000694244_200013065384 [0,2,0,0,0,0|0,0,2]=4 2986 B14R1.747 C=C(C)c1ccc(cc1C)C(=O)OC 271570a_100000694244_100011215878 [0,2,0,0,0,0|0,0,2]=4 2987 B14R1.747 C=C(C)c1ccc(cc1Cl)C(=O)OC 271570a_100000694244_100012356344 [0,2,0,0,0,0|0,0,2]=4 2988 B14R1.747 C=C(C)c1ccc(cc1F)C(=O)CN 271570a_100000694244_100016989600 [0,2,0,0,0,0|0,0,2]=4 2989 B14R1.747 C=C(C)c1ccc(cc1F)C(=O)OC 271570a_100000694244_100000703229 [0,2,0,0,0,0|0,0,2]=4 2990 B14R1.747 C=C(C)c1ccc(cc1N)C(=O)OC 271570a_100000694244_100011450966 [0,2,0,0,0,0|0,0,2]=4 2991 B14R1.747 C=C(C)c1ccc(cc1O)C(=O)OC 271570a_100000694244_100012350776 [0,2,0,0,0,0|0,0,2]=4 2992 B14R1.747 CC(C)c1ccc(cc1Br)C(=O)CF 1458a_100010235942_100015361967 [0,2,0,0,0,0|0,0,0]=2 2993 B14R1.747 CCC(=O)c1ccc(c(c1)Br)C(C)C 1458a_100010235942_100000210202 [0,2,0,0,0,0|0,0,0]=2 2994 B14R1.747 CCC(=O)c1ccc(c(c1)Br)C(F)F 1458a_100010235945_100000210202 [0,2,0,0,0,0|2,0,0]=4 2995 B14R1.747 CNC(=O)c1ccc(c(c1)Br)C(C)C 11a_106832991635_100010235942 [0,2,0,0,0,0|0,0,0]=2 2996 B14R1.747 CNC(=O)c1ccc(c(c1)Br)C(C)C 1626a_100102657272_100010235942 [0,2,0,0,0,0|0,0,0]=2 2997 B14R1.747 CNC(=O)c1ccc(c(c1)Br)C(C)C 240690a_100102657272_100010235942 [0,2,0,0,0,0|0,0,0]=2 2998 B14R1.747 CNC(=O)c1ccc(c(c1)Br)C(C)C 527a_100102657272_100010235942 [0,2,0,0,0,0|0,0,0]=2 2999 B14R1.747 CNC(=O)c1ccc(c(c1)Br)C(F)F 11a_106832991635_100010235945 [0,2,0,0,0,0|2,0,0]=4 3000 B14R1.747 CNC(=O)c1ccc(c(c1)Br)C(F)F 1626a_100102657272_100010235945 [0,2,0,0,0,0|2,0,0]=4 3001 B14R1.747 CNC(=O)c1ccc(c(c1)Br)C(F)F 240690a_100102657272_100010235945 [0,2,0,0,0,0|2,0,0]=4 3002 B14R1.747 CNC(=O)c1ccc(c(c1)Br)C(F)F 527a_100102657272_100010235945 [0,2,0,0,0,0|2,0,0]=4 3003 B14R1.747 CNC(=O)c1ccc(c(c1)C)N(C)C 27a_100102631434_200013065384 [0,2,0,0,0,0|1,0,0]=3 3004 B14R1.747 COC(=O)c1ccc(c(c1)Br)C(=O)C 1458a_200010202026_200000210301 [0,2,0,0,0,0|1,0,1]=4 3005 B14R1.747 COC(=O)c1ccc(c(c1)Br)C(=O)[13CH3] 1458a_200010202026_200025704644 [0,2,0,0,0,0|1,0,1]=4 3006 B14R1.747 COC(=O)c1ccc(c(c1)Cl)C(=O)C 1458a_100010291778_200000210301 [0,2,0,0,0,0|1,0,1]=4 3007 B14R1.747 COC(=O)c1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100010291778_200025704644 [0,2,0,0,0,0|1,0,1]=4 3008 B14R1.747 COC(=O)c1ccc(c(c1)F)C(=O)C 1458a_100000703384_200000210301 [0,2,0,0,0,0|1,0,1]=4 3009 B14R1.747 COC(=O)c1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000703384_200025704644 [0,2,0,0,0,0|1,0,1]=4 3010 B14R1.747 COC(=O)c1ccc(c(c1)O)C(=O)C 1458a_100000101776_200000210301 [0,2,0,0,0,0|1,0,1]=4 3011 B14R1.747 COC(=O)c1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000101776_200025704644 [0,2,0,0,0,0|1,0,1]=4 3012 B14R1.747 COC(=O)c1ccc(c(c1)O)C(C)C 271570a_203496583355_200010236285 [0,2,0,0,0,0|0,0,0]=2 3013 B14R1.747 COC(=O)c1ccc(c(n1)F)N(C)C 27a_100102631434_100010189630 [0,2,0,0,0,0|2,0,0]=4 3014 B14R1.747 COC(=O)c1cnc(c(c1)Br)N(C)C 27a_100102631434_100010114297 [0,2,0,0,0,0|2,0,0]=4 3015 B14R1.747 COC(=O)c1cnc(c(c1)C)N(C)C 27a_100102631434_100009862495 [0,2,0,0,0,0|2,0,0]=4 3016 B14R1.747 COC(=O)c1cnc(c(c1)F)N(C)C 27a_100102631434_100009877320 [0,2,0,0,0,0|2,0,0]=4 3017 B14R1.747 COC(=O)c1cnc(c(c1)N)N(C)C 27a_100102631434_100000079130 [0,2,0,0,0,0|2,0,0]=4 3018 B14R1.747 Cc1cc(ccc1N(C)C)C(=O)NN 27a_100102631434_100012339724 [0,2,0,0,0,0|2,0,0]=4 3019 B14R1.747 O=C(CF)c1ccc(c(c1)Br)C(F)F 1458a_100010235945_100015361967 [0,2,0,0,0,0|2,0,0]=4 3020 B14R1.1128 C=C(C)c1ccc(c(c1)Br)C(=O)OC 271570a_100000694244_100010247156 [0,2,0,0,0,0|0,0,2]=4 3021 B14R1.1128 C=C(C)c1ccc(c(c1)C)C(=O)CC 271570a_100000694244_200012361375 [0,2,0,0,0,0|0,0,2]=4 3022 B14R1.1128 C=C(C)c1ccc(c(c1)C)C(=O)OC 271570a_100000694244_100000747612 [0,2,0,0,0,0|0,0,2]=4 3023 B14R1.1128 C=C(C)c1ccc(c(c1)C)[C@H](N)CO 271570a_100000694244_100138412551 [0,2,0,0,0,0|2,0,0]=4 3024 B14R1.1128 C=C(C)c1ccc(c(c1)Cl)C(=O)OC 271570a_100000694244_100000060724 [0,2,0,0,0,0|0,0,2]=4 3025 B14R1.1128 C=C(C)c1ccc(c(c1)F)C(=O)CC 271570a_100000694244_100012360378 [0,2,0,0,0,0|0,0,2]=4 3026 B14R1.1128 C=C(C)c1ccc(c(c1)F)C(=O)NC 271570a_100000694244_100000233932 [0,2,0,0,0,0|0,0,2]=4 3027 B14R1.1128 C=C(C)c1ccc(c(c1)F)C(=O)OC 271570a_100000694244_100000216654 [0,2,0,0,0,0|0,0,2]=4 3028 B14R1.1128 C=C(C)c1ccc(c(c1)N)C(=O)OC 271570a_100000694244_100011373473 [0,2,0,0,0,0|0,0,2]=4 3029 B14R1.1128 C=C(C)c1ccc(c(c1)O)C(=O)OC 271570a_100000694244_100000062286 [0,2,0,0,0,0|0,0,2]=4 3030 B14R1.1128 CC(C)c1ccc(c(c1)F)C(=O)CF 1458a_100011941423_100015361967 [0,2,0,0,0,0|0,0,0]=2 3031 B14R1.1128 CCC(=O)c1ccc(cc1F)C(C)C 1458a_100011941423_100000210202 [0,2,0,0,0,0|0,0,0]=2 3032 B14R1.1128 CCC(=O)c1ccc(cc1F)N(C)C 27a_100102631434_100012360378 [0,2,0,0,0,0|1,0,0]=3 3033 B14R1.1128 CCC(=O)c1ccc(cc1O)N(C)C 1458a_200000073653_100000210202 [0,2,0,0,0,0|1,0,0]=3 3034 B14R1.1128 CN(C)c1ccc(c(c1)O)C(=O)CF 1458a_200000073653_100015361967 [0,2,0,0,0,0|1,0,0]=3 3035 B14R1.1128 CNC(=O)c1ccc(cc1F)C(C)C 11a_106832991635_100011941423 [0,2,0,0,0,0|0,0,0]=2 3036 B14R1.1128 CNC(=O)c1ccc(cc1F)C(C)C 1626a_100102657272_100011941423 [0,2,0,0,0,0|0,0,0]=2 3037 B14R1.1128 CNC(=O)c1ccc(cc1F)C(C)C 240690a_100102657272_100011941423 [0,2,0,0,0,0|0,0,0]=2 3038 B14R1.1128 CNC(=O)c1ccc(cc1F)C(C)C 527a_100102657272_100011941423 [0,2,0,0,0,0|0,0,0]=2 3039 B14R1.1128 CNC(=O)c1ccc(cc1F)N(C)C 27a_100102631434_100000233932 [0,2,0,0,0,0|1,0,0]=3 3040 B14R1.1128 CNC(=O)c1ccc(cc1O)N(C)C 240690a_100102657272_200000073653 [0,2,0,0,0,0|1,0,0]=3 3041 B14R1.1128 COC(=O)c1ccc(cc1Br)C(=O)C 1458a_200009992943_200000210301 [0,2,0,0,0,0|1,0,1]=4 3042 B14R1.1128 COC(=O)c1ccc(cc1Br)C(=O)[13CH3] 1458a_200009992943_200025704644 [0,2,0,0,0,0|1,0,1]=4 3043 B14R1.1128 COC(=O)c1ccc(cc1C)C(=O)C 1458a_100009860594_200000210301 [0,2,0,0,0,0|1,0,1]=4 3044 B14R1.1128 COC(=O)c1ccc(cc1C)C(=O)[13CH3] 1458a_100009860594_200025704644 [0,2,0,0,0,0|1,0,1]=4 3045 B14R1.1128 COC(=O)c1ccc(cc1Cl)C(=O)C 1458a_100009992935_200000210301 [0,2,0,0,0,0|1,0,1]=4 3046 B14R1.1128 COC(=O)c1ccc(cc1Cl)C(=O)[13CH3] 1458a_100009992935_200025704644 [0,2,0,0,0,0|1,0,1]=4 3047 B14R1.1128 COC(=O)c1ccc(cc1F)C(=O)C 1458a_100000690533_200000210301 [0,2,0,0,0,0|1,0,1]=4 3048 B14R1.1128 COC(=O)c1ccc(cc1F)C(=O)[13CH3] 1458a_100000690533_200025704644 [0,2,0,0,0,0|1,0,1]=4 3049 B14R1.1128 COC(=O)c1ccc(cc1I)C(=O)C 1458a_200010176111_200000210301 [0,2,0,0,0,0|1,0,1]=4 3050 B14R1.1128 COC(=O)c1ccc(cc1I)C(=O)[13CH3] 1458a_200010176111_200025704644 [0,2,0,0,0,0|1,0,1]=4 3051 B14R1.1128 COC(=O)c1ccc(cc1O)C(=O)C 1458a_100000704390_200000210301 [0,2,0,0,0,0|1,0,1]=4 3052 B14R1.1128 COC(=O)c1ccc(cc1O)C(=O)[13CH3] 1458a_100000704390_200025704644 [0,2,0,0,0,0|1,0,1]=4 3053 B14R1.1128 COC(=O)c1ccc(nc1C)N(C)C 27a_100102631434_100000692007 [0,2,0,0,0,0|2,0,0]=4 3054 B14R1.1128 COC(=O)c1cnc(cc1C)N(C)C 27a_100102631434_100009871181 [0,2,0,0,0,0|2,0,0]=4 3055 B14R1.4227 C=C(C)c1ccc(cc1Br)C(C)(C)C 271570a_100000694244_100010212221 [0,2,0,0,0,0|1,0,0]=3 3056 B14R1.4227 C=C(C)c1ccc(cc1N)C(C)(C)C 271570a_100000694244_100010244637 [0,2,0,0,0,0|1,0,0]=3 3057 B14R1.4227 C=C(C)c1ccc(cc1O)C(C)(C)C 271570a_100000694244_100010201833 [0,2,0,0,0,0|1,0,0]=3 3058 B14R1.4227 CC(=O)c1ccc(cc1Br)C(C)(C)C 1458a_100010233000_200000210301 [0,2,0,0,0,0|0,0,0]=2 3059 B14R1.4227 CC(=O)c1ccc(cc1Br)C(F)(F)F 1458a_100010177847_200000210301 [0,2,0,0,0,0|2,0,0]=4 3060 B14R1.4227 CC(=O)c1ccc(cc1C)C(F)(F)F 1458a_100012351571_200000210301 [0,2,0,0,0,0|2,0,0]=4 3061 B14R1.4227 CC(=O)c1ccc(cc1Cl)C(F)(F)F 1458a_100000695231_200000210301 [0,2,0,0,0,0|2,0,0]=4 3062 B14R1.4227 CC(=O)c1ccc(cc1Cl)S(=O)(=O)C 1458a_100011217091_200000210301 [0,2,0,0,0,0|2,0,0]=4 3063 B14R1.4227 CC(=O)c1ccc(cc1F)C(F)(F)F 1458a_100000031610_200000210301 [0,2,0,0,0,0|2,0,0]=4 3064 B14R1.4227 CC(=O)c1ccc(cc1F)S(=O)(=O)C 1458a_100010243224_200000210301 [0,2,0,0,0,0|2,0,0]=4 3065 B14R1.4227 CC(=O)c1ccc(cc1I)C(F)(F)F 1458a_100010166724_200000210301 [0,2,0,0,0,0|2,0,0]=4 3066 B14R1.4227 CC(=O)c1ccc(cc1O)C(C)(C)C 1458a_100009848251_200000210301 [0,2,0,0,0,0|0,0,0]=2 3067 B14R1.4227 CC(=O)c1ccc(cc1O)C(F)(F)F 1458a_100000042659_200000210301 [0,2,0,0,0,0|2,0,0]=4 3068 B14R1.4227 CC(=O)c1ccc(cc1O)C(F)(F)F 271570a_203496583355_100010246433 [0,2,0,0,0,0|2,0,0]=4 3069 B14R1.4227 CC(C)(C)c1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100010233000_200025704644 [0,2,0,0,0,0|0,0,0]=2 3070 B14R1.4227 CC(C)(C)c1ccc(c(c1)O)C(=O)[13CH3] 1458a_100009848251_200025704644 [0,2,0,0,0,0|0,0,0]=2 3071 B14R1.4227 CS(=O)(=O)c1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100011217091_200025704644 [0,2,0,0,0,0|2,0,0]=4 3072 B14R1.4227 CS(=O)(=O)c1ccc(c(c1)F)C(=O)[13CH3] 1458a_100010243224_200025704644 [0,2,0,0,0,0|2,0,0]=4 3073 B14R1.4227 Cc1cc(ccc1C(=O)[13CH3])C(F)(F)F 1458a_100012351571_200025704644 [0,2,0,0,0,0|2,0,0]=4 3074 B14R1.4227 [13CH3]C(=O)c1ccc(cc1Br)C(F)(F)F 1458a_100010177847_200025704644 [0,2,0,0,0,0|2,0,0]=4 3075 B14R1.4227 [13CH3]C(=O)c1ccc(cc1Cl)C(F)(F)F 1458a_100000695231_200025704644 [0,2,0,0,0,0|2,0,0]=4 3076 B14R1.4227 [13CH3]C(=O)c1ccc(cc1F)C(F)(F)F 1458a_100000031610_200025704644 [0,2,0,0,0,0|2,0,0]=4 3077 B14R1.4227 [13CH3]C(=O)c1ccc(cc1I)C(F)(F)F 1458a_100010166724_200025704644 [0,2,0,0,0,0|2,0,0]=4 3078 B14R1.4227 [13CH3]C(=O)c1ccc(cc1O)C(F)(F)F 1458a_100000042659_200025704644 [0,2,0,0,0,0|2,0,0]=4 3079 B14R1.6034 C=C(C)c1cc(c(cc1C)C(=O)C)O 271570a_100000694244_100009816031 [0,2,0,0,0,0|0,0,2]=4 3080 B14R1.6034 C=C(C)c1cc(c(cc1F)C(=O)C)F 271570a_100000694244_100012024335 [0,2,0,0,0,0|0,0,2]=4 3081 B14R1.6034 C=C(C)c1cc(c(cc1F)C(=O)C)O 271570a_100000694244_200010245088 [0,2,0,0,0,0|0,0,2]=4 3082 B14R1.6034 CN(C)c1cc(c(cc1F)C(=O)N)F 27a_100102631434_100010244962 [0,2,0,0,0,0|2,0,0]=4 3083 B14R1.6039 CC(=O)c1ccc(c(c1)Br)C(F)(F)F 1458a_100010172749_200000210301 [0,2,0,0,0,0|2,0,0]=4 3084 B14R1.6039 CC(=O)c1ccc(c(c1)Br)S(=O)(=O)C 1458a_100000695960_200000210301 [0,2,0,0,0,0|2,0,0]=4 3085 B14R1.6039 CC(=O)c1ccc(c(c1)C)C(F)(F)F 1458a_100000707535_200000210301 [0,2,0,0,0,0|2,0,0]=4 3086 B14R1.6039 CC(=O)c1ccc(c(c1)C)S(=O)(=O)C 1458a_100012350726_200000210301 [0,2,0,0,0,0|2,0,0]=4 3087 B14R1.6039 CC(=O)c1ccc(c(c1)Cl)C(F)(F)F 1458a_100000061738_200000210301 [0,2,0,0,0,0|2,0,0]=4 3088 B14R1.6039 CC(=O)c1ccc(c(c1)F)C(F)(F)F 1458a_100000688833_200000210301 [0,2,0,0,0,0|2,0,0]=4 3089 B14R1.6039 CC(=O)c1ccc(c(c1)F)S(=O)(=O)C 1458a_100011935171_200000210301 [0,2,0,0,0,0|2,0,0]=4 3090 B14R1.6039 CC(=O)c1ccc(c(c1)I)C(C)(C)C 1458a_200012360054_200000210301 [0,2,0,0,0,0|0,0,0]=2 3091 B14R1.6039 CC(=O)c1ccc(c(c1)I)C(F)(F)F 1458a_100010150424_200000210301 [0,2,0,0,0,0|2,0,0]=4 3092 B14R1.6039 CC(=O)c1ccc(c(c1)O)C(F)(F)F 1458a_100000708890_200000210301 [0,2,0,0,0,0|2,0,0]=4 3093 B14R1.6039 CC(C)(C)c1ccc(cc1I)C(=O)[13CH3] 1458a_200012360054_200025704644 [0,2,0,0,0,0|0,0,0]=2 3094 B14R1.6039 CN(C)c1ccc(c(c1)F)S(=O)(=O)C 27a_100102631434_100010245844 [0,2,0,0,0,0|2,0,0]=4 3095 B14R1.6039 CS(=O)(=O)c1ccc(cc1Br)C(=O)[13CH3] 1458a_100000695960_200025704644 [0,2,0,0,0,0|2,0,0]=4 3096 B14R1.6039 CS(=O)(=O)c1ccc(cc1F)C(=O)[13CH3] 1458a_100011935171_200025704644 [0,2,0,0,0,0|2,0,0]=4 3097 B14R1.6039 Cc1cc(ccc1C(F)(F)F)C(=O)[13CH3] 1458a_100000707535_200025704644 [0,2,0,0,0,0|2,0,0]=4 3098 B14R1.6039 Cc1cc(ccc1S(=O)(=O)C)C(=O)[13CH3] 1458a_100012350726_200025704644 [0,2,0,0,0,0|2,0,0]=4 3099 B14R1.6039 [13CH3]C(=O)c1ccc(c(c1)Br)C(F)(F)F 1458a_100010172749_200025704644 [0,2,0,0,0,0|2,0,0]=4 3100 B14R1.6039 [13CH3]C(=O)c1ccc(c(c1)Cl)C(F)(F)F 1458a_100000061738_200025704644 [0,2,0,0,0,0|2,0,0]=4 3101 B14R1.6039 [13CH3]C(=O)c1ccc(c(c1)F)C(F)(F)F 1458a_100000688833_200025704644 [0,2,0,0,0,0|2,0,0]=4 3102 B14R1.6039 [13CH3]C(=O)c1ccc(c(c1)I)C(F)(F)F 1458a_100010150424_200025704644 [0,2,0,0,0,0|2,0,0]=4 3103 B14R1.6039 [13CH3]C(=O)c1ccc(c(c1)O)C(F)(F)F 1458a_100000708890_200025704644 [0,2,0,0,0,0|2,0,0]=4 3104 B14R1.14383 C=C(C)c1ccc(c(c1F)F)C(=O)C 271570a_100000694244_100010174444 [0,2,0,0,0,0|0,0,2]=4 3105 B14R1.15547 C=C(C)c1c(cc(cc1C)N(C)C)C 271570a_100000694244_100011935182 [0,2,0,0,0,0|2,0,0]=4 3106 B14R1.15547 C=C(C)c1c(cc(cc1F)C(=O)C)F 271570a_100000694244_100010371124 [0,2,0,0,0,0|0,0,2]=4 3107 B14R1.15547 C=C(C)c1cc(c(c(c1)F)C(=O)C)F 271570a_100000694244_100012706838 [0,2,0,0,0,0|0,0,2]=4 3108 B14R1.15547 C=C(C)c1cc(c(c(c1)F)C(=O)C)O 271570a_100000694244_100010734142 [0,2,0,0,0,0|0,0,2]=4 3109 B14R1.15547 C=C(C)c1cc(c(c(c1)F)C(C)O)F 271570a_100000694244_100013396598 [0,2,0,0,0,0|2,0,0]=4 3110 B14R1.15547 CC(=O)c1cc(c(c(c1)F)C(F)F)F 1458a_200015999626_200000210301 [0,2,0,0,0,0|2,0,0]=4 3111 B14R1.15547 CN(C)c1cc(c(c(c1)F)C(=O)N)F 27a_100102631434_100000695656 [0,2,0,0,0,0|2,0,0]=4 3112 B14R1.15547 Cc1cc(cc(c1C(=O)N)F)N(C)C 27a_100102631434_100016096366 [0,2,0,0,0,0|2,0,0]=4 3113 B14R1.15547 [13CH3]C(=O)c1cc(c(c(c1)F)C(F)F)F 1458a_200015999626_200025704644 [0,2,0,0,0,0|2,0,0]=4 3114 B14R1.307 C=C(C)c1ccc(cc1)C(C)(C)C#N 271570a_100000694244_100000740055 [0,2,0,0,0,0|1,0,0]=3 3115 B14R1.307 C=C(C)c1ccc(cc1)C(C)(C)C=O 271570a_100000694244_100010228009 [0,2,0,0,0,0|1,0,0]=3 3116 B14R1.307 C=C(C)c1ccc(cc1)C(F)(F)CC 271570a_100000694244_100010208532 [0,2,0,0,0,0|2,0,0]=4 3117 B14R1.307 C=C(C)c1ccc(nc1)C(C)(C)C#N 271570a_100000694244_100012353963 [0,2,0,0,0,0|2,0,0]=4 3118 B14R1.307 CC(=O)c1ccc(cc1)C(C)(C)C#N 1458a_100000724183_200000210301 [0,2,0,0,0,0|0,0,0]=2 3119 B14R1.307 CC(C)(C#N)c1ccc(cc1)C(=O)[13CH3] 1458a_100000724183_200025704644 [0,2,0,0,0,0|0,0,0]=2 3120 B14R1.307 CNS(=O)(=O)c1ccc(cc1)C(=O)C 1458a_100000176708_200000210301 [0,2,0,0,0,0|2,0,0]=4 3121 B14R1.307 CNS(=O)(=O)c1ccc(cc1)C(=O)C 270084a_100102657272_100000010689 [0,2,0,0,0,0|2,0,0]=4 3122 B14R1.307 CNS(=O)(=O)c1ccc(cc1)C(=O)C 274078a_100102657272_100000010689 [0,2,0,0,0,0|2,0,0]=4 3123 B14R1.307 CNS(=O)(=O)c1ccc(cc1)C(=O)[13CH3] 1458a_100000176708_200025704644 [0,2,0,0,0,0|2,0,0]=4 3124 B14R1.307 CNS(=O)(=O)c1ccc(cc1)C(C)C 270084a_100102657272_100000183442 [0,2,0,0,0,0|1,0,0]=3 3125 B14R1.307 CNS(=O)(=O)c1ccc(cc1)C(C)C 274078a_100102657272_100000183442 [0,2,0,0,0,0|1,0,0]=3 3126 B14R1.719 CC(C)(C)c1ccc(cc1)C(=O)CF 1458a_100000210226_100015361967 [0,2,0,0,0,0|0,0,0]=2 3127 B14R1.719 CC(F)(F)c1ccc(cc1)C(=O)CF 1458a_100000734349_100015361967 [0,2,0,0,0,0|1,0,0]=3 3128 B14R1.719 CC(N[13CH3])c1ccc(cc1)C(C)(C)C 2230a_100000737534_200025704644 [0,2,0,0,0,0|1,0,1]=4 3129 B14R1.719 CC(N[13CH3])c1ccc(cc1)S(=O)(=O)C 2230a_100000707372_200025704644 [0,2,0,0,0,0|1,0,0]=3 3130 B14R1.719 CC(O[13CH3])c1ccc(cc1)C(C)(C)C 34a_100000246481_200025704644 [0,2,0,0,0,0|0,0,2]=4 3131 B14R1.719 CC(O[13CH3])c1ccc(cc1)C(C)(C)C 7a_100000246481_200025704644 [0,2,0,0,0,0|0,0,2]=4 3132 B14R1.719 CCC(=O)c1ccc(cc1)C(C)(C)C 1458a_100000210226_100000210202 [0,2,0,0,0,0|0,0,0]=2 3133 B14R1.719 CCC(=O)c1ccc(cc1)C(C)(F)F 1458a_100000734349_100000210202 [0,2,0,0,0,0|1,0,0]=3 3134 B14R1.719 CCC(=O)c1ccc(cc1)C(F)(F)F 1458a_100000184032_100000210202 [0,2,0,0,0,0|2,0,0]=4 3135 B14R1.719 CCC(=O)c1ccc(cc1)S(=O)(=O)C 1458a_100000185160_100000210202 [0,2,0,0,0,0|2,0,0]=4 3136 B14R1.719 CCC(=O)c1ccc(cc1)[Si](C)(C)C 1458a_100009908145_100000210202 [0,2,0,0,0,0|0,1,0]=3 3137 B14R1.719 CCN(C)c1ccc(cc1)C(C)(C)C 2230a_100000220326_100000210202 [0,2,0,0,0,0|2,0,0]=4 3138 B14R1.719 CCN(C)c1ccc(cc1)C(C)(C)C 269982a_100000220326_100000204670 [0,2,0,0,0,0|2,0,0]=4 3139 B14R1.719 CCN(C)c1ccc(cc1)C(C)(C)C 34a_100000220326_100000210202 [0,2,0,0,0,0|2,0,0]=4 3140 B14R1.719 CCN(C)c1ccc(cc1)C(C)(C)C 38a_100000220326_100000204670 [0,2,0,0,0,0|2,0,0]=4 3141 B14R1.719 CCN(C)c1ccc(cc1)C(C)(C)C 7a_100000220326_100000210202 [0,2,0,0,0,0|2,0,0]=4 3142 B14R1.719 CCN(C)c1ccc(cc1)S(=O)(=O)C 269982a_100000744783_100000204670 [0,2,0,0,0,0|2,0,0]=4 3143 B14R1.719 CCN(C)c1ccc(cc1)S(=O)(=O)C 34a_100000744783_100000210202 [0,2,0,0,0,0|2,0,0]=4 3144 B14R1.719 CCN(C)c1ccc(cc1)S(=O)(=O)C 7a_100000744783_100000210202 [0,2,0,0,0,0|2,0,0]=4 3145 B14R1.719 CN(CF)c1ccc(cc1)C(C)(C)C 269982a_100000220326_100015361967 [0,2,0,0,0,0|2,0,0]=4 3146 B14R1.719 CN(CF)c1ccc(cc1)C(C)(C)C 34a_100000220326_100015361967 [0,2,0,0,0,0|2,0,0]=4 3147 B14R1.719 CN(CF)c1ccc(cc1)C(C)(C)C 38a_100000220326_100015361967 [0,2,0,0,0,0|2,0,0]=4 3148 B14R1.719 CN(CF)c1ccc(cc1)C(C)(C)C 7a_100000220326_100015361967 [0,2,0,0,0,0|2,0,0]=4 3149 B14R1.719 CN(CF)c1ccc(cc1)S(=O)(=O)C 269982a_100000744783_100015361967 [0,2,0,0,0,0|2,0,0]=4 3150 B14R1.719 CN(CF)c1ccc(cc1)S(=O)(=O)C 34a_100000744783_100015361967 [0,2,0,0,0,0|2,0,0]=4 3151 B14R1.719 CN(CF)c1ccc(cc1)S(=O)(=O)C 7a_100000744783_100015361967 [0,2,0,0,0,0|2,0,0]=4 3152 B14R1.719 CNC(=O)c1ccc(cc1)C(C)(C)C 11a_106832991635_100000210226 [0,2,0,0,0,0|0,0,0]=2 3153 B14R1.719 CNC(=O)c1ccc(cc1)C(C)(C)C 1626a_100102657272_100000210226 [0,2,0,0,0,0|0,0,0]=2 3154 B14R1.719 CNC(=O)c1ccc(cc1)C(C)(C)C 240690a_100102657272_100000210226 [0,2,0,0,0,0|0,0,0]=2 3155 B14R1.719 CNC(=O)c1ccc(cc1)C(C)(C)C 527a_100102657272_100000210226 [0,2,0,0,0,0|0,0,0]=2 3156 B14R1.719 CNC(=O)c1ccc(cc1)C(C)(F)F 11a_106832991635_100000734349 [0,2,0,0,0,0|1,0,0]=3 3157 B14R1.719 CNC(=O)c1ccc(cc1)C(C)(F)F 1626a_100102657272_100000734349 [0,2,0,0,0,0|1,0,0]=3 3158 B14R1.719 CNC(=O)c1ccc(cc1)C(C)(F)F 240690a_100102657272_100000734349 [0,2,0,0,0,0|1,0,0]=3 3159 B14R1.719 CNC(=O)c1ccc(cc1)C(C)(F)F 527a_100102657272_100000734349 [0,2,0,0,0,0|1,0,0]=3 3160 B14R1.719 CNC(=O)c1ccc(cc1)C(F)(F)F 11a_106832991635_100000184032 [0,2,0,0,0,0|2,0,0]=4 3161 B14R1.719 CNC(=O)c1ccc(cc1)C(F)(F)F 1626a_100102657272_100000184032 [0,2,0,0,0,0|2,0,0]=4 3162 B14R1.719 CNC(=O)c1ccc(cc1)C(F)(F)F 240690a_100102657272_100000184032 [0,2,0,0,0,0|2,0,0]=4 3163 B14R1.719 CNC(=O)c1ccc(cc1)C(F)(F)F 527a_100102657272_100000184032 [0,2,0,0,0,0|2,0,0]=4 3164 B14R1.719 CNC(=O)c1ccc(cc1)S(=O)(=O)C 11a_106832991635_100000185160 [0,2,0,0,0,0|2,0,0]=4 3165 B14R1.719 CNC(=O)c1ccc(cc1)S(=O)(=O)C 1626a_100102657272_100000185160 [0,2,0,0,0,0|2,0,0]=4 3166 B14R1.719 CNC(=O)c1ccc(cc1)S(=O)(=O)C 240690a_100102657272_100000185160 [0,2,0,0,0,0|2,0,0]=4 3167 B14R1.719 CNC(=O)c1ccc(cc1)S(=O)(=O)C 527a_100102657272_100000185160 [0,2,0,0,0,0|2,0,0]=4 3168 B14R1.719 CNC(=O)c1ccc(cc1)[Si](C)(C)C 11a_106832991635_100009908145 [0,2,0,0,0,0|0,1,0]=3 3169 B14R1.719 CNC(=O)c1ccc(cc1)[Si](C)(C)C 1626a_100102657272_100009908145 [0,2,0,0,0,0|0,1,0]=3 3170 B14R1.719 CNC(=O)c1ccc(cc1)[Si](C)(C)C 240690a_100102657272_100009908145 [0,2,0,0,0,0|0,1,0]=3 3171 B14R1.719 CNC(=O)c1ccc(cc1)[Si](C)(C)C 527a_100102657272_100009908145 [0,2,0,0,0,0|0,1,0]=3 3172 B14R1.719 CNC(C)c1ccc(cc1)C(C)(C)C 2230a_100000737534_200000210301 [0,2,0,0,0,0|1,0,1]=4 3173 B14R1.719 CNC(C)c1ccc(cc1)C(C)(C)C 269862a_106832991636_100000195580 [0,2,0,0,0,0|1,0,1]=4 3174 B14R1.719 CNC(C)c1ccc(cc1)P(=O)(C)C 269862a_106832991636_100121160516 [0,2,0,0,0,0|1,0,0]=3 3175 B14R1.719 CNC(C)c1ccc(cc1)S(=O)(=O)C 2230a_100000707372_200000210301 [0,2,0,0,0,0|1,0,0]=3 3176 B14R1.719 CNC(C)c1ccc(cc1)S(=O)(=O)C 269862a_106832991636_100000185226 [0,2,0,0,0,0|1,0,0]=3 3177 B14R1.719 CNC(C)c1ccc(cc1)S(=O)(=O)N 269862a_106832991636_100000164538 [0,2,0,0,0,0|2,0,0]=4 3178 B14R1.719 CN[C@@H](C)c1ccc(cc1)S(=O)(=O)N 2230a_200000762234_200000210301 [0,2,0,0,0,0|2,0,0]=4 3179 B14R1.719 COC(C)c1ccc(cc1)C(C)(C)C 34a_100000246481_200000210301 [0,2,0,0,0,0|0,0,2]=4 3180 B14R1.719 COC(C)c1ccc(cc1)C(C)(C)C 7a_100000246481_200000210301 [0,2,0,0,0,0|0,0,2]=4 3181 B14R1.719 CO[C@H](C)c1ccc(cc1)S(=O)(=O)C 34a_200000743257_200000210301 [0,2,0,0,0,0|1,0,0]=3 3182 B14R1.719 CO[C@H](C)c1ccc(cc1)S(=O)(=O)C 7a_200000743257_200000210301 [0,2,0,0,0,0|1,0,0]=3 3183 B14R1.719 CS(=O)(=O)c1ccc(cc1)C(=O)CF 1458a_100000185160_100015361967 [0,2,0,0,0,0|2,0,0]=4 3184 B14R1.719 C[C@@H](O[13CH3])c1ccc(cc1)S(=O)(=O)C 34a_200000743257_200025704644 [0,2,0,0,0,0|1,0,0]=3 3185 B14R1.719 C[C@@H](O[13CH3])c1ccc(cc1)S(=O)(=O)C 7a_200000743257_200025704644 [0,2,0,0,0,0|1,0,0]=3 3186 B14R1.719 C[C@H](N[13CH3])c1ccc(cc1)S(=O)(=O)N 2230a_200000762234_200025704644 [0,2,0,0,0,0|2,0,0]=4 3187 B14R1.719 C[Si](C)(C)c1ccc(cc1)C(=O)CF 1458a_100009908145_100015361967 [0,2,0,0,0,0|0,1,0]=3 3188 B14R1.719 O=C(CF)c1ccc(cc1)C(F)(F)F 1458a_100000184032_100015361967 [0,2,0,0,0,0|2,0,0]=4 3189 B14R1.395 C=C(C)c1ccc(cc1)C(CC)NC 271570a_100000694244_100000231127 [0,2,0,0,0,0|1,0,0]=3 3190 B14R1.395 C=C(C)c1ccc(cc1)C(OC)OC 271570a_100000694244_100009813454 [0,2,0,0,0,0|1,0,0]=3 3191 B14R1.395 C=C(C)c1ccc(cc1)N(CC)CC 271570a_100000694244_100011216415 [0,2,0,0,0,0|2,0,0]=4 3192 B14R1.395 C=C(C)c1ccc(nc1)C(OC)OC 271570a_100000694244_100010270258 [0,2,0,0,0,0|2,0,0]=4 3193 B14R1.395 CCC(NC)c1ccc(cc1)C(C)C 269862a_106832991636_100011220450 [0,2,0,0,0,0|1,0,1]=4 3194 B14R1.395 CCN(CC)c1ccc(cc1)C(=O)C 1458a_100000210703_200000210301 [0,2,0,0,0,0|1,0,0]=3 3195 B14R1.395 CCN(CC)c1ccc(cc1)C(=O)N 27a_100000724800_100000162191 [0,2,0,0,0,0|2,0,0]=4 3196 B14R1.395 CCN(CC)c1ccc(cc1)C(=O)O 269956a_100011218868_100000210202 [0,2,0,0,0,0|2,0,0]=4 3197 B14R1.395 CCN(CC)c1ccc(cc1)C(=O)[13CH3] 1458a_100000210703_200025704644 [0,2,0,0,0,0|1,0,0]=3 3198 B14R1.395 CCN(CC)c1ccc(cn1)C(=O)C 27a_100000724800_100000690552 [0,2,0,0,0,0|2,0,0]=4 3199 B14R1.395 CCN(CF)c1ccc(cc1)C(=O)O 269956a_100011218868_100015361967 [0,2,0,0,0,0|2,0,0]=4 3200 B14R1.395 COC(OC)c1ccc(cc1)C(=O)C 1458a_200000104780_200000210301 [0,2,0,0,0,0|0,0,0]=2 3201 B14R1.395 COC(OC)c1ccc(cc1)C(=O)[13CH3] 1458a_200000104780_200025704644 [0,2,0,0,0,0|0,0,0]=2 3202 B14R1.610 C#CCC(=O)c1ccc(cc1)C(=C)C 1458a_200009908186_100000184674 [0,2,0,0,0,0|0,0,2]=4 3203 B14R1.610 C#CCC(=O)c1ccc(cc1)C(C)C 1458a_100000210772_100000184674 [0,2,0,0,0,0|0,0,0]=2 3204 B14R1.610 C#CCC(=O)c1ccc(cc1)C(C)O 1458a_100000076921_100000184674 [0,2,0,0,0,0|1,0,0]=3 3205 B14R1.610 C#CCC(=O)c1ccc(cc1)C(F)F 1458a_100011735500_100000184674 [0,2,0,0,0,0|2,0,0]=4 3206 B14R1.610 C#CCC(=O)c1ccc(cc1)N(C)C 1458a_100000210873_100000184674 [0,2,0,0,0,0|1,0,0]=3 3207 B14R1.610 C#CCC(=O)c1ccc(cc1)S(=O)C 1458a_200000217594_100000184674 [0,2,0,0,0,0|2,0,0]=4 3208 B14R1.610 C#CCN(C)c1ccc(cc1)C(=O)N 27a_100000225692_100000162191 [0,2,0,0,0,0|2,0,0]=4 3209 B14R1.610 C#CCN(C)c1ccc(cc1)C(C)C 2230a_100000688768_100000038162 [0,2,0,0,0,0|2,0,0]=4 3210 B14R1.610 C#CCN(C)c1ccc(cc1)C(C)C 34a_100000688768_100000184674 [0,2,0,0,0,0|2,0,0]=4 3211 B14R1.610 C#CCN(C)c1ccc(cc1)C(C)C 38a_100000688768_100000184674 [0,2,0,0,0,0|2,0,0]=4 3212 B14R1.610 C#CCN(C)c1ccc(cn1)C(=O)C 27a_100000225692_100000690552 [0,2,0,0,0,0|2,0,0]=4 3213 B14R1.610 C=C(C)c1ccc(cc1)C(=O)C#CC 271570a_100000694244_100153741113 [0,2,0,0,0,0|0,0,2]=4 3214 B14R1.610 C=C(C)c1ccc(cc1)C(=O)CC#N 1458a_200009908186_100011214920 [0,2,0,0,0,0|0,0,2]=4 3215 B14R1.610 C=C(C)c1ccc(cc1)C(=O)CC#N 271570a_100000694244_100000740217 [0,2,0,0,0,0|0,0,2]=4 3216 B14R1.610 C=C(C)c1ccc(cc1)C(=O)CCC 1458a_200009908186_100000210303 [0,2,0,0,0,0|0,0,2]=4 3217 B14R1.610 C=C(C)c1ccc(cc1)C(=O)CCC 271570a_100000694244_100011267722 [0,2,0,0,0,0|0,0,2]=4 3218 B14R1.610 C=C(C)c1ccc(cc1)C(=O)CCF 1458a_200009908186_100011217306 [0,2,0,0,0,0|0,0,2]=4 3219 B14R1.610 C=C(C)c1ccc(cc1)C(=O)CCO 1458a_200009908186_100000211926 [0,2,0,0,0,0|0,0,2]=4 3220 B14R1.610 C=C(C)c1ccc(cc1)C(=O)COC 271570a_100000694244_200011343064 [0,2,0,0,0,0|0,0,2]=4 3221 B14R1.610 C=C(C)c1ccc(cc1)C(=O)NCC 11a_100015525214_200009908186 [0,2,0,0,0,0|0,0,2]=4 3222 B14R1.610 C=C(C)c1ccc(cc1)C(=O)NCC 240690a_100015525214_200009908186 [0,2,0,0,0,0|0,0,2]=4 3223 B14R1.610 C=C(C)c1ccc(cc1)C(=O)NCC 271570a_100000694244_100000155177 [0,2,0,0,0,0|0,0,2]=4 3224 B14R1.610 C=C(C)c1ccc(cc1)C(=O)NCC 527a_100015525214_200009908186 [0,2,0,0,0,0|0,0,2]=4 3225 B14R1.610 C=C(C)c1ccc(cc1)C(=O)NNC 22a_100016993582_200009908186 [0,2,0,0,0,0|0,0,2]=4 3226 B14R1.610 C=C(C)c1ccc(cc1)C(=O)OCC 271570a_100000694244_100000170077 [0,2,0,0,0,0|0,0,2]=4 3227 B14R1.610 C=C(C)c1ccc(cc1)C(O)CCC 271570a_100000694244_100011350873 [0,2,0,0,0,0|2,0,0]=4 3228 B14R1.610 C=C(C)c1ccc(cc1)[C@@H](N)CCO 271570a_100000694244_102125605589 [0,2,0,0,0,0|2,0,0]=4 3229 B14R1.610 C=CCC(=O)c1ccc(cc1)C(=C)C 1458a_200009908186_100000210623 [0,2,0,0,0,0|0,0,2]=4 3230 B14R1.610 C=CCC(=O)c1ccc(cc1)C(C)C 1458a_100000210772_100000210623 [0,2,0,0,0,0|0,0,0]=2 3231 B14R1.610 C=CCC(=O)c1ccc(cc1)C(C)O 1458a_100000076921_100000210623 [0,2,0,0,0,0|1,0,0]=3 3232 B14R1.610 C=CCC(=O)c1ccc(cc1)C(F)F 1458a_100011735500_100000210623 [0,2,0,0,0,0|2,0,0]=4 3233 B14R1.610 C=CCC(=O)c1ccc(cc1)N(C)C 1458a_100000210873_100000210623 [0,2,0,0,0,0|1,0,0]=3 3234 B14R1.610 C=CCC(=O)c1ccc(cc1)S(=O)C 1458a_200000217594_100000210623 [0,2,0,0,0,0|2,0,0]=4 3235 B14R1.610 C=CCC(O)c1ccc(cc1)C(=C)C 271570a_100000694244_100011466436 [0,2,0,0,0,0|2,0,0]=4 3236 B14R1.610 C=CCN(C)c1ccc(cc1)C(=O)O 269956a_200000185622_200000210301 [0,2,0,0,0,0|2,0,0]=4 3237 B14R1.610 C=CCN(C)c1ccc(cc1)C(C)C 2230a_100000688768_100000210623 [0,2,0,0,0,0|2,0,0]=4 3238 B14R1.610 C=CCN(C)c1ccc(cc1)C(C)C 269982a_100000688768_100000210623 [0,2,0,0,0,0|2,0,0]=4 3239 B14R1.610 C=CCN(C)c1ccc(cc1)C(C)C 34a_100000688768_100015514636 [0,2,0,0,0,0|2,0,0]=4 3240 B14R1.610 C=CCN(C)c1ccc(cc1)C(C)C 38a_100000688768_100000210623 [0,2,0,0,0,0|2,0,0]=4 3241 B14R1.610 C=CCN([13CH3])c1ccc(cc1)C(=O)O 269956a_200000185622_200025704644 [0,2,0,0,0,0|2,0,0]=4 3242 B14R1.610 CC(=O)c1ccc(cc1)N(C)CCO 1458a_200011623597_200000210301 [0,2,0,0,0,0|1,0,0]=3 3243 B14R1.610 CC(=O)c1ccc(nc1)N(C)CCO 27a_100000210263_100000690552 [0,2,0,0,0,0|2,0,0]=4 3244 B14R1.610 CC(C)c1ccc(cc1)C(=O)CC#N 1458a_100000210772_100011214920 [0,2,0,0,0,0|0,0,0]=2 3245 B14R1.610 CC(C)c1ccc(cc1)C(=O)CCF 1458a_100000210772_100011217306 [0,2,0,0,0,0|0,0,0]=2 3246 B14R1.610 CC(C)c1ccc(cc1)C(=O)CCO 1458a_100000210772_100000211926 [0,2,0,0,0,0|0,0,0]=2 3247 B14R1.610 CC(C)c1ccc(cc1)C(=O)CS[13CH3] 62a_200000751037_200025704644 [0,2,0,0,0,0|0,0,0]=2 3248 B14R1.610 CC(C)c1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_200000751037 [0,2,0,0,0,0|0,0,0]=2 3249 B14R1.610 CC(C)c1ccc(cc1)C(C)NCF 34a_100000181356_100015361967 [0,2,0,0,0,0|1,0,1]=4 3250 B14R1.610 CC(C)c1ccc(cc1)C(C)SCF 62a_100015361967_200000700246 [0,2,0,0,0,0|0,1,1]=4 3251 B14R1.610 CC(C)c1ccc(cc1)C(C)SCF 62a_200000700246_100015361967 [0,2,0,0,0,0|0,1,1]=4 3252 B14R1.610 CC(C)c1ccc(cc1)N(C)CC#N 2230a_100000688768_100011215382 [0,2,0,0,0,0|2,0,0]=4 3253 B14R1.610 CC(C)c1ccc(cc1)N(C)CC#N 269982a_100000688768_100011214920 [0,2,0,0,0,0|2,0,0]=4 3254 B14R1.610 CC(C)c1ccc(cc1)N(C)CC=O 2230a_100000688768_200015260668 [0,2,0,0,0,0|1,0,0]=3 3255 B14R1.610 CC(C)c1ccc(cc1)N(C)CC=O 269982a_100000688768_200015260668 [0,2,0,0,0,0|1,0,0]=3 3256 B14R1.610 CC(C)c1ccc(cc1)N(C)CC=O 34a_100000688768_200009817547 [0,2,0,0,0,0|1,0,0]=3 3257 B14R1.610 CC(C)c1ccc(cc1)N(C)CCF 2230a_100000688768_100011217306 [0,2,0,0,0,0|2,0,0]=4 3258 B14R1.610 CC(C)c1ccc(cc1)N(C)CCF 269982a_100000688768_100011217306 [0,2,0,0,0,0|2,0,0]=4 3259 B14R1.610 CC(C)c1ccc(cc1)N(C)CCF 34a_100000688768_100011217306 [0,2,0,0,0,0|2,0,0]=4 3260 B14R1.610 CC(C)c1ccc(cc1)N(C)CCF 38a_100000688768_100011217306 [0,2,0,0,0,0|2,0,0]=4 3261 B14R1.610 CC(C)c1ccc(cc1)N(C)CCO 2230a_100000688768_100000211926 [0,2,0,0,0,0|1,0,1]=4 3262 B14R1.610 CC(C)c1ccc(cc1)N(C)CCO 269982a_100000688768_100000211926 [0,2,0,0,0,0|1,0,1]=4 3263 B14R1.610 CC(C)c1ccc(cc1)N(C)CCO 34a_100000688768_100000211926 [0,2,0,0,0,0|1,0,1]=4 3264 B14R1.610 CC(C)c1ccc(cc1)N(C)CCO 38a_100000688768_100000211926 [0,2,0,0,0,0|1,0,1]=4 3265 B14R1.610 CC(O)c1ccc(cc1)C(=O)CC#N 1458a_100000076921_100011214920 [0,2,0,0,0,0|1,0,0]=3 3266 B14R1.610 CC(O)c1ccc(cc1)C(=O)CCF 1458a_100000076921_100011217306 [0,2,0,0,0,0|1,0,0]=3 3267 B14R1.610 CC(O)c1ccc(cc1)C(=O)CCO 1458a_100000076921_100000211926 [0,2,0,0,0,0|1,0,0]=3 3268 B14R1.610 CC(OCF)c1ccc(cc1)C(=O)N 7a_200010363529_100015361967 [0,2,0,0,0,0|1,0,0]=3 3269 B14R1.610 CC(OCF)c1ccc(cc1)[N+](=O)[O-] 34a_100000246459_100015361967 [0,2,0,0,0,0|2,0,0]=4 3270 B14R1.610 CC(OCF)c1ccc(cc1)[N+](=O)[O-] 7a_100000246459_100015361967 [0,2,0,0,0,0|2,0,0]=4 3271 B14R1.610 CCCC(=O)c1ccc(cc1)C(C)C 1458a_100000210772_100000210303 [0,2,0,0,0,0|0,0,0]=2 3272 B14R1.610 CCCC(=O)c1ccc(cc1)C(C)O 1458a_100000076921_100000210303 [0,2,0,0,0,0|1,0,0]=3 3273 B14R1.610 CCCC(=O)c1ccc(cc1)C(F)F 1458a_100011735500_100000210303 [0,2,0,0,0,0|2,0,0]=4 3274 B14R1.610 CCCC(=O)c1ccc(cc1)N(C)C 1458a_100000210873_100000210303 [0,2,0,0,0,0|1,0,0]=3 3275 B14R1.610 CCCC(=O)c1ccc(cc1)S(=O)C 1458a_200000217594_100000210303 [0,2,0,0,0,0|2,0,0]=4 3276 B14R1.610 CCCC(=O)c1ccc(nc1)N(C)C 27a_100102631434_200012185933 [0,2,0,0,0,0|2,0,0]=4 3277 B14R1.610 CCCN(C)c1ccc(cc1)C(=O)N 27a_100000747261_100000162191 [0,2,0,0,0,0|2,0,0]=4 3278 B14R1.610 CCCN(C)c1ccc(cc1)C(=O)O 269956a_100000760769_200000210301 [0,2,0,0,0,0|2,0,0]=4 3279 B14R1.610 CCCN(C)c1ccc(cc1)C(C)C 2230a_100000688768_100000210303 [0,2,0,0,0,0|2,0,0]=4 3280 B14R1.610 CCCN(C)c1ccc(cc1)C(C)C 269982a_100000688768_100000210303 [0,2,0,0,0,0|2,0,0]=4 3281 B14R1.610 CCCN(C)c1ccc(cc1)C(C)C 34a_100000688768_100000210303 [0,2,0,0,0,0|2,0,0]=4 3282 B14R1.610 CCCN(C)c1ccc(cc1)C(C)C 38a_100000688768_100000210303 [0,2,0,0,0,0|2,0,0]=4 3283 B14R1.610 CCCN(C)c1ccc(cn1)C(=O)C 27a_100000747261_100000690552 [0,2,0,0,0,0|2,0,0]=4 3284 B14R1.610 CCCN([13CH3])c1ccc(cc1)C(=O)O 269956a_100000760769_200025704644 [0,2,0,0,0,0|2,0,0]=4 3285 B14R1.610 CCNC(=O)c1ccc(cc1)C(C)C 11a_100015525214_100000210772 [0,2,0,0,0,0|0,0,0]=2 3286 B14R1.610 CCNC(=O)c1ccc(cc1)C(C)C 240690a_100015525214_100000210772 [0,2,0,0,0,0|0,0,0]=2 3287 B14R1.610 CCNC(=O)c1ccc(cc1)C(C)C 527a_100015525214_100000210772 [0,2,0,0,0,0|0,0,0]=2 3288 B14R1.610 CCNC(=O)c1ccc(cc1)C(C)O 240690a_100015525214_100000076921 [0,2,0,0,0,0|1,0,0]=3 3289 B14R1.610 CCNC(=O)c1ccc(cc1)C(F)F 11a_100015525214_100011735500 [0,2,0,0,0,0|2,0,0]=4 3290 B14R1.610 CCNC(=O)c1ccc(cc1)C(F)F 240690a_100015525214_100011735500 [0,2,0,0,0,0|2,0,0]=4 3291 B14R1.610 CCNC(=O)c1ccc(cc1)C(F)F 527a_100015525214_100011735500 [0,2,0,0,0,0|2,0,0]=4 3292 B14R1.610 CCNC(=O)c1ccc(cc1)N(C)C 11a_100015525214_100000210873 [0,2,0,0,0,0|1,0,0]=3 3293 B14R1.610 CCNC(=O)c1ccc(cc1)N(C)C 240690a_100015525214_100000210873 [0,2,0,0,0,0|1,0,0]=3 3294 B14R1.610 CCNC(=O)c1ccc(cc1)N(C)C 27a_100102631434_100000155177 [0,2,0,0,0,0|1,0,0]=3 3295 B14R1.610 CCNC(=O)c1ccc(cc1)N(C)C 527a_100015525214_100000210873 [0,2,0,0,0,0|1,0,0]=3 3296 B14R1.610 CCNC(=O)c1ccc(cc1)S(=O)C 240690a_100015525214_200000217594 [0,2,0,0,0,0|2,0,0]=4 3297 B14R1.610 CCNC(=O)c1ccc(cc1)S(=O)C 527a_100015525214_200000217594 [0,2,0,0,0,0|2,0,0]=4 3298 B14R1.610 CCNC(=O)c1ccc(cn1)N(C)C 27a_100102631434_200011781264 [0,2,0,0,0,0|2,0,0]=4 3299 B14R1.610 CCNC(=O)c1ccc(nc1)N(C)C 27a_100102631434_100000160145 [0,2,0,0,0,0|2,0,0]=4 3300 B14R1.610 CCNC(C)c1ccc(cc1)C(C)C 2230a_100000181356_100000210202 [0,2,0,0,0,0|1,0,1]=4 3301 B14R1.610 CCNC(C)c1ccc(cc1)C(C)C 2230a_100015525214_200000700246 [0,2,0,0,0,0|1,0,1]=4 3302 B14R1.610 CCNC(C)c1ccc(cc1)C(C)C 269862a_100015525214_100000184595 [0,2,0,0,0,0|1,0,1]=4 3303 B14R1.610 CCNC(C)c1ccc(cc1)C(C)C 34a_100000181356_100000210202 [0,2,0,0,0,0|1,0,1]=4 3304 B14R1.610 CCNC(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100015525214_100000684656 [0,2,0,0,0,0|2,0,0]=4 3305 B14R1.610 CCN[C@@H](C)c1ccc(cc1)C(=O)O 269956a_100020638929_100000210202 [0,2,0,0,0,0|1,0,0]=3 3306 B14R1.610 CCN[C@@H](C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000008510_100000210202 [0,2,0,0,0,0|2,0,0]=4 3307 B14R1.610 CCOC(=O)c1ccc(cc1)C(=O)C 1458a_100000076237_200000210301 [0,2,0,0,0,0|1,0,1]=4 3308 B14R1.610 CCOC(=O)c1ccc(cc1)C(=O)[13CH3] 1458a_100000076237_200025704644 [0,2,0,0,0,0|1,0,1]=4 3309 B14R1.610 CCOC(=O)c1ccc(nc1)N(C)C 27a_100102631434_100000170224 [0,2,0,0,0,0|2,0,0]=4 3310 B14R1.610 CCOC(C)c1ccc(cc1)C(=O)N 7a_200010363529_100000210202 [0,2,0,0,0,0|1,0,0]=3 3311 B14R1.610 CCOC(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000246459_100000210202 [0,2,0,0,0,0|2,0,0]=4 3312 B14R1.610 CCOC(C)c1ccc(cc1)[N+](=O)[O-] 7a_100000246459_100000210202 [0,2,0,0,0,0|2,0,0]=4 3313 B14R1.610 CCSC(C)c1ccc(cc1)C(C)C 62a_100000210202_200000700246 [0,2,0,0,0,0|0,1,1]=4 3314 B14R1.610 CCSC(C)c1ccc(cc1)C(C)C 62a_200000700246_100000210202 [0,2,0,0,0,0|0,1,1]=4 3315 B14R1.610 CN(C)c1ccc(cc1)C(=O)CC#N 1458a_100000210873_100011214920 [0,2,0,0,0,0|1,0,0]=3 3316 B14R1.610 CN(C)c1ccc(cc1)C(=O)CCF 1458a_100000210873_100011217306 [0,2,0,0,0,0|1,0,0]=3 3317 B14R1.610 CN(C)c1ccc(cc1)C(=O)CCO 1458a_100000210873_100000211926 [0,2,0,0,0,0|1,0,0]=3 3318 B14R1.610 CN(C)c1ccc(cc1)C(=O)CS[13CH3] 62a_100009815699_200025704644 [0,2,0,0,0,0|1,0,0]=3 3319 B14R1.610 CN(C)c1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100009815699 [0,2,0,0,0,0|1,0,0]=3 3320 B14R1.610 CN(CCO)c1ccc(cc1)C(=O)N 27a_100000210263_100000162191 [0,2,0,0,0,0|2,0,0]=4 3321 B14R1.610 CN(CCO)c1ccc(cc1)C(=O)[13CH3] 1458a_200011623597_200025704644 [0,2,0,0,0,0|1,0,0]=3 3322 B14R1.610 CNCC(=O)c1ccc(cc1)C(C)C 2230a_106832991635_200000751037 [0,2,0,0,0,0|0,0,0]=2 3323 B14R1.610 CNCC(=O)c1ccc(cc1)C(C)C 7a_106832991635_200000751037 [0,2,0,0,0,0|0,0,0]=2 3324 B14R1.610 CNCC(=O)c1ccc(cc1)N(C)C 2230a_106832991635_100009815699 [0,2,0,0,0,0|1,0,0]=3 3325 B14R1.610 CNCC(=O)c1ccc(cc1)N(C)C 7a_106832991635_100009815699 [0,2,0,0,0,0|1,0,0]=3 3326 B14R1.610 CNNC(=O)c1ccc(cc1)C(C)C 22a_100016993582_100000210772 [0,2,0,0,0,0|0,0,0]=2 3327 B14R1.610 CNNC(=O)c1ccc(cc1)C(C)O 22a_100016993582_100000076921 [0,2,0,0,0,0|1,0,0]=3 3328 B14R1.610 CNNC(=O)c1ccc(cc1)C(F)F 22a_100016993582_100011735500 [0,2,0,0,0,0|2,0,0]=4 3329 B14R1.610 CNNC(=O)c1ccc(cc1)N(C)C 22a_100016993582_100000210873 [0,2,0,0,0,0|1,0,0]=3 3330 B14R1.610 CNNC(=O)c1ccc(cc1)S(=O)C 22a_100016993582_200000217594 [0,2,0,0,0,0|2,0,0]=4 3331 B14R1.610 COCN(C)c1ccc(cc1)C(C)C 2230a_100000688768_100000766300 [0,2,0,0,0,0|1,0,1]=4 3332 B14R1.610 COCN(C)c1ccc(cc1)C(C)C 269982a_100000688768_100000766300 [0,2,0,0,0,0|1,0,1]=4 3333 B14R1.610 CS(=O)c1ccc(cc1)C(=O)CC#N 1458a_200000217594_100011214920 [0,2,0,0,0,0|2,0,0]=4 3334 B14R1.610 CS(=O)c1ccc(cc1)C(=O)CCF 1458a_200000217594_100011217306 [0,2,0,0,0,0|2,0,0]=4 3335 B14R1.610 CS(=O)c1ccc(cc1)C(=O)CCO 1458a_200000217594_100000211926 [0,2,0,0,0,0|2,0,0]=4 3336 B14R1.610 CSCC(=O)c1ccc(cc1)C(C)C 62a_200000210301_200000751037 [0,2,0,0,0,0|0,0,0]=2 3337 B14R1.610 CSCC(=O)c1ccc(cc1)C(C)C 62a_200000751037_200000210301 [0,2,0,0,0,0|0,0,0]=2 3338 B14R1.610 CSCC(=O)c1ccc(cc1)N(C)C 62a_100009815699_200000210301 [0,2,0,0,0,0|1,0,0]=3 3339 B14R1.610 CSCC(=O)c1ccc(cc1)N(C)C 62a_200000210301_100009815699 [0,2,0,0,0,0|1,0,0]=3 3340 B14R1.610 CSCN(C)c1ccc(cc1)C(C)C 2230a_100000688768_100011218213 [0,2,0,0,0,0|1,1,0]=4 3341 B14R1.610 CSCN(C)c1ccc(cc1)C(C)C 269982a_100000688768_100011218213 [0,2,0,0,0,0|1,1,0]=4 3342 B14R1.610 CSCN(C)c1ccc(cc1)C(C)C 34a_100000688768_100011218213 [0,2,0,0,0,0|1,1,0]=4 3343 B14R1.610 C[C@H](NCF)c1ccc(cc1)C(=O)O 269956a_100020638929_100015361967 [0,2,0,0,0,0|1,0,0]=3 3344 B14R1.610 N#CCC(=O)c1ccc(cc1)C(F)F 1458a_100011735500_100011214920 [0,2,0,0,0,0|2,0,0]=4 3345 B14R1.610 O=C(CCF)c1ccc(cc1)C(F)F 1458a_100011735500_100011217306 [0,2,0,0,0,0|2,0,0]=4 3346 B14R1.610 O=C(CCO)c1ccc(cc1)C(F)F 1458a_100011735500_100000211926 [0,2,0,0,0,0|2,0,0]=4 3347 B14R1.718 CCC(=O)c1ccc(cc1)C(=O)NC 1458a_100011298788_100000210202 [0,2,0,0,0,0|1,0,1]=4 3348 B14R1.718 CCC(=O)c1ccc(cc1)C(=O)OC 1458a_100000211811_100000210202 [0,2,0,0,0,0|1,0,1]=4 3349 B14R1.718 CCC(C)c1ccc(cc1)C(C)NC 269862a_106832991636_100011203566 [0,2,0,0,0,0|1,0,1]=4 3350 B14R1.718 CCN(C)c1ccc(cc1)C(=O)OC 2230a_100000220287_100000210202 [0,2,0,0,0,0|1,0,0]=3 3351 B14R1.718 CCN(C)c1ccc(cc1)C(=O)OC 269982a_100000220287_100000204670 [0,2,0,0,0,0|1,0,0]=3 3352 B14R1.718 CCN(C)c1ccc(cc1)C(=O)OC 34a_100000220287_100000210202 [0,2,0,0,0,0|1,0,0]=3 3353 B14R1.718 CNC(=O)c1ccc(cc1)C(=O)CF 1458a_100011298788_100015361967 [0,2,0,0,0,0|1,0,1]=4 3354 B14R1.718 CNC(=O)c1ccc(cc1)C(=O)NC 11a_106832991635_100011298788 [0,2,0,0,0,0|1,0,1]=4 3355 B14R1.718 CNC(=O)c1ccc(cc1)C(=O)NC 1626a_100102657272_100011298788 [0,2,0,0,0,0|1,0,1]=4 3356 B14R1.718 CNC(=O)c1ccc(cc1)C(=O)NC 240690a_100102657272_100011298788 [0,2,0,0,0,0|1,0,1]=4 3357 B14R1.718 CNC(=O)c1ccc(cc1)C(=O)NC 527a_100102657272_100011298788 [0,2,0,0,0,0|1,0,1]=4 3358 B14R1.718 CNC(=O)c1ccc(cc1)C(=O)OC 11a_106832991635_100000211811 [0,2,0,0,0,0|1,0,1]=4 3359 B14R1.718 CNC(=O)c1ccc(cc1)C(=O)OC 1626a_100102657272_100000211811 [0,2,0,0,0,0|1,0,1]=4 3360 B14R1.718 CNC(=O)c1ccc(cc1)C(=O)OC 240690a_100102657272_100000211811 [0,2,0,0,0,0|1,0,1]=4 3361 B14R1.718 CNC(=O)c1ccc(cc1)C(=O)OC 527a_100102657272_100000211811 [0,2,0,0,0,0|1,0,1]=4 3362 B14R1.718 CNC(C)c1ccc(cc1)C(=O)OC 2230a_106832991635_100010159609 [0,2,0,0,0,0|0,0,0]=2 3363 B14R1.718 CNC(C)c1ccc(cc1)C(=O)OC 7a_106832991635_100010159609 [0,2,0,0,0,0|0,0,0]=2 3364 B14R1.718 COC(=O)c1ccc(cc1)C(=O)CF 1458a_100000211811_100015361967 [0,2,0,0,0,0|1,0,1]=4 3365 B14R1.718 COC(=O)c1ccc(cc1)C(C)OC 34a_100000036437_200000210301 [0,2,0,0,0,0|0,0,0]=2 3366 B14R1.718 COC(=O)c1ccc(cc1)C(C)OC 7a_100000036437_200000210301 [0,2,0,0,0,0|0,0,0]=2 3367 B14R1.718 COC(=O)c1ccc(cc1)C(C)O[13CH3] 34a_100000036437_200025704644 [0,2,0,0,0,0|0,0,0]=2 3368 B14R1.718 COC(=O)c1ccc(cc1)C(C)O[13CH3] 7a_100000036437_200025704644 [0,2,0,0,0,0|0,0,0]=2 3369 B14R1.718 COC(=O)c1ccc(cc1)C(C)SC 62a_100010159609_200000210301 [0,2,0,0,0,0|0,0,0]=2 3370 B14R1.718 COC(=O)c1ccc(cc1)C(C)SC 62a_200000210301_100010159609 [0,2,0,0,0,0|0,0,0]=2 3371 B14R1.718 COC(=O)c1ccc(cc1)C(C)S[13CH3] 62a_100010159609_200025704644 [0,2,0,0,0,0|0,0,0]=2 3372 B14R1.718 COC(=O)c1ccc(cc1)C(C)S[13CH3] 62a_200025704644_100010159609 [0,2,0,0,0,0|0,0,0]=2 3373 B14R1.718 COC(=O)c1ccc(cc1)N(C)CF 269982a_100000220287_100015361967 [0,2,0,0,0,0|1,0,0]=3 3374 B14R1.718 COC(=O)c1ccc(cc1)N(C)CF 34a_100000220287_100015361967 [0,2,0,0,0,0|1,0,0]=3 3375 B12R1.130 Cc1sccc1C=CCC(C)C 271570a_100016259101_100000684487 [0,0,1,1,0,0|0,1,1]=4 3376 B12R1.389 CC(=O)c1cc(cs1)C=C(C)C 271570a_100102525489_100000718618 [0,0,1,1,0,0|1,0,1]=4 3377 B12R1.389 CC(=O)c1cc(cs1)SC(C)C 62a_100000210206_100000718618 [0,0,1,1,0,0|2,0,0]=4 3378 B12R1.389 CC(=O)c1cc(cs1)SC(C)C 62a_100000718618_100000210206 [0,0,1,1,0,0|2,0,0]=4 3379 B12R1.389 CC(=O)c1ccc([nH]1)C=C(C)C 271570a_100102525489_200010494458 [0,0,1,1,0,0|1,0,1]=4 3380 B12R1.389 CC(=O)c1ccc([nH]1)SC(C)C 62a_200010494458_100000210206 [0,0,1,1,0,0|2,0,0]=4 3381 B12R1.389 CC(=O)c1ccc(o1)C=C(C)C 271570a_100102525489_100000229899 [0,0,1,1,0,0|1,0,1]=4 3382 B12R1.389 CC(=O)c1ccc(o1)SC(C)C 62a_100000210206_100000229899 [0,0,1,1,0,0|2,0,0]=4 3383 B12R1.389 CC(=O)c1ccc(s1)C=C(C)C 271570a_100102525489_100000183331 [0,0,1,1,0,0|1,0,1]=4 3384 B12R1.389 CC(=O)c1ccc(s1)SC(C)C 62a_100000183331_100000210206 [0,0,1,1,0,0|2,0,0]=4 3385 B12R1.389 CC(=O)c1ccc(s1)SC(C)C 62a_100000210206_200000034408 [0,0,1,1,0,0|2,0,0]=4 3386 B12R1.389 CC(=O)c1csc(c1)C=C(C)C 271570a_100102525489_200012344231 [0,0,1,1,0,0|1,0,1]=4 3387 B12R1.389 CC(=O)c1csc(c1)SC(C)C 62a_100000210206_200012344231 [0,0,1,1,0,0|2,0,0]=4 3388 B12R1.389 CC(=O)c1csc(c1)SC(C)C 62a_200012344231_100000210206 [0,0,1,1,0,0|2,0,0]=4 3389 B12R2.9 C=Cc1ccc(cc1)C2CC2 271570a_100011290941_100009820665 [1,0,0,1,0,0|0,0,1]=3 3390 B12R2.9 C=Cc1ccc(cn1)C2CC2 271570a_100011290941_200000118129 [1,0,0,1,0,0|1,0,1]=4 3391 B12R2.9 C=Cc1ccc(nc1)C2CC2 271570a_100011290941_100009850895 [1,0,0,1,0,0|1,0,1]=4 3392 B12R2.9 CCc1ccc(cc1)C2CC2 271570a_100011220607_100011215824 [1,0,0,1,0,0|0,0,1]=3 3393 B12R2.9 CCc1ccc(cn1)C2CC2 271570a_100011220607_100009820025 [1,0,0,1,0,0|1,0,1]=4 3394 B12R2.9 CCc1ccc(nc1)C2CC2 271570a_100011220607_100009843584 [1,0,0,1,0,0|1,0,1]=4 3395 B12R2.9 CNc1ccc(cc1)C2CC2 271570a_100011220607_100000219623 [1,0,0,1,0,0|1,0,0]=3 3396 B12R2.9 CNc1ccc(cc1)C2CC2 34a_100016991203_200000210301 [1,0,0,1,0,0|1,0,0]=3 3397 B12R2.9 CNc1ccc(cn1)C2CC2 271570a_100011220607_100000741341 [1,0,0,1,0,0|2,0,0]=4 3398 B12R2.9 CNc1ccc(nc1)C2CC2 271570a_100011220607_100000764248 [1,0,0,1,0,0|2,0,0]=4 3399 B12R2.9 COc1ccc(cc1)C2CC2 271570a_100011220607_100000171711 [1,0,0,1,0,0|1,0,0]=3 3400 B12R2.9 COc1ccc(cc1)C2CC2 34a_100011997980_200000210301 [1,0,0,1,0,0|1,0,0]=3 3401 B12R2.9 COc1ccc(cc1)C2CC2 7a_100011997980_200000210301 [1,0,0,1,0,0|1,0,0]=3 3402 B12R2.9 COc1ccc(cn1)C2CC2 271570a_100011220607_100000047065 [1,0,0,1,0,0|2,0,0]=4 3403 B12R2.9 COc1ccc(nc1)C2CC2 271570a_100011220607_100000755202 [1,0,0,1,0,0|2,0,0]=4 3404 B12R2.9 CSc1ccc(cc1)C2CC2 271570a_100011220607_100011263217 [1,0,0,1,0,0|1,0,0]=3 3405 B12R2.9 CSc1ccc(cc1)C2CC2 62a_200000210301_100009820665 [1,0,0,1,0,0|1,0,0]=3 3406 B12R2.9 CSc1ccc(cn1)C2CC2 271570a_100011220607_100011408404 [1,0,0,1,0,0|2,0,0]=4 3407 B12R2.9 CSc1ccc(cn1)C2CC2 62a_200000210301_200000118129 [1,0,0,1,0,0|2,0,0]=4 3408 B12R2.9 CSc1ccc(nc1)C2CC2 271570a_100011220607_100009820866 [1,0,0,1,0,0|2,0,0]=4 3409 B12R2.9 CSc1ccc(nc1)C2CC2 62a_100009850895_200000210301 [1,0,0,1,0,0|2,0,0]=4 3410 B12R2.9 CSc1ccc(nc1)C2CC2 62a_200000210301_100009850895 [1,0,0,1,0,0|2,0,0]=4 3411 B12R2.9 FCc1ccc(cc1)C2CC2 271570a_100011220607_100010268989 [1,0,0,1,0,0|1,0,1]=4 3412 B12R2.9 N#Cc1ccc(cc1)C2CC2 271570a_100011220607_100000179745 [1,0,0,1,0,0|1,0,1]=4 3413 B12R2.9 NCc1ccc(cc1)C2CC2 271570a_100011220607_100016989417 [1,0,0,1,0,0|1,0,1]=4 3414 B12R2.9 NNc1ccc(cc1)C2CC2 271570a_100011220607_100016988836 [1,0,0,1,0,0|2,0,0]=4 3415 B12R2.9 O=Cc1ccc(cc1)C2CC2 271570a_100011220607_100000186029 [1,0,0,1,0,0|0,0,0]=2 3416 B12R2.9 O=Cc1ccc(cn1)C2CC2 271570a_100011220607_100000754260 [1,0,0,1,0,0|1,0,0]=3 3417 B12R2.9 O=Cc1ccc(nc1)C2CC2 271570a_100011220607_100000766901 [1,0,0,1,0,0|1,0,0]=3 3418 B12R2.9 O=Cc1ccc(nn1)C2CC2 271570a_100011220607_100000044651 [1,0,0,1,0,0|2,0,0]=4 3419 B12R2.9 O=Cc1cnc(cn1)C2CC2 271570a_100011220607_100012001714 [1,0,0,1,0,0|2,0,0]=4 3420 B12R2.9 O=Cc1cnc(nc1)C2CC2 271570a_100011220607_100000070856 [1,0,0,1,0,0|2,0,0]=4 3421 B12R2.9 OCc1ccc(cc1)C2CC2 271570a_100011220607_100000690907 [1,0,0,1,0,0|0,0,2]=4 3422 B12R2.9 [13CH3]Nc1ccc(cc1)C2CC2 34a_100016991203_200025704644 [1,0,0,1,0,0|1,0,0]=3 3423 B12R2.9 [13CH3]Oc1ccc(cc1)C2CC2 34a_100011997980_200025704644 [1,0,0,1,0,0|1,0,0]=3 3424 B12R2.9 [13CH3]Oc1ccc(cc1)C2CC2 7a_100011997980_200025704644 [1,0,0,1,0,0|1,0,0]=3 3425 B12R2.9 [13CH3]Sc1ccc(cc1)C2CC2 62a_200025704644_100009820665 [1,0,0,1,0,0|1,0,0]=3 3426 B12R2.9 [13CH3]Sc1ccc(cn1)C2CC2 62a_200025704644_200000118129 [1,0,0,1,0,0|2,0,0]=4 3427 B12R2.9 [13CH3]Sc1ccc(nc1)C2CC2 62a_100009850895_200025704644 [1,0,0,1,0,0|2,0,0]=4 3428 B12R2.9 [13CH3]Sc1ccc(nc1)C2CC2 62a_200025704644_100009850895 [1,0,0,1,0,0|2,0,0]=4 3429 B12R2.1384 C=C(C)c1ccc2c(c1)CC2 271570a_100000694244_100009818592 [1,0,0,1,0,0|1,0,0]=3 3430 B12R2.1384 CC(=O)c1ccc2c(c1)CC2 1458a_100000137882_200000210301 [1,0,0,1,0,0|0,0,0]=2 3431 B12R2.1384 [13CH3]C(=O)c1ccc2c(c1)CC2 1458a_100000137882_200025704644 [1,0,0,1,0,0|0,0,0]=2 3432 B12R2.251 CC(=O)c1cc(cs1)C2CC2 271570a_100011220607_100000718618 [0,0,0,1,1,0|1,0,0]=3 3433 B12R2.251 CC(=O)c1ccc([nH]1)C2CC2 271570a_100011220607_200010494458 [0,0,0,1,1,0|1,0,0]=3 3434 B12R2.251 CC(=O)c1ccc(o1)C2CC2 271570a_100011220607_100000229899 [0,0,0,1,1,0|1,0,0]=3 3435 B12R2.251 CC(=O)c1ccc(s1)C2CC2 271570a_100011220607_100000183331 [0,0,0,1,1,0|1,0,0]=3 3436 B12R2.251 CC(=O)c1cnc(s1)C2CC2 271570a_100011220607_200010173910 [0,0,0,1,1,0|2,0,0]=4 3437 B12R2.251 CC(=O)c1csc(c1)C2CC2 271570a_100011220607_200012344231 [0,0,0,1,1,0|1,0,0]=3 3438 B12R2.251 CC(=O)c1nc(cs1)C2CC2 271570a_100011220607_100010231720 [0,0,0,1,1,0|2,0,0]=4 3439 B12R2.251 CC(=O)c1ncc(s1)C2CC2 271570a_100011220607_100000693680 [0,0,0,1,1,0|2,0,0]=4 3440 B12R2.251 CC(=O)n1cc(cn1)C2CC2 271570a_100011220607_100010205889 [0,0,0,1,1,0|2,0,0]=4 3441 B12R2.251 NC(=O)c1cc(c[nH]1)C2CC2 271570a_100011220607_100000229580 [0,0,0,1,1,0|2,0,0]=4 3442 B12R2.251 NC(=O)c1cc(co1)C2CC2 271570a_100011220607_200009817131 [0,0,0,1,1,0|2,0,0]=4 3443 B12R2.251 NC(=O)c1cc(cs1)C2CC2 271570a_100011220607_100009812991 [0,0,0,1,1,0|2,0,0]=4 3444 B12R2.251 NC(=O)c1ccc(s1)C2CC2 271570a_100011220607_100000162267 [0,0,0,1,1,0|2,0,0]=4 3445 B12R2.251 NC(=O)c1csc(c1)C2CC2 271570a_100011220607_100000747962 [0,0,0,1,1,0|2,0,0]=4 3446 B14R2.345 C=C(C)c1ccc(cc1)C2CC2N 271570a_100000694244_100000755575 [0,0,0,1,0,1|2,0,0]=4 3447 B14R2.601 C=C(C)c1ccc2c(c1)CC(=O)C2 271570a_100000694244_100010185598 [0,0,0,1,0,1|0,0,2]=4 3448 B14R2.601 C=C(C)c1ccc2c(c1)CC(=O)N2 271570a_100000694244_100000754858 [0,0,0,1,0,1|0,0,2]=4 3449 B14R2.601 C=C(C)c1ccc2c(c1)CC(C2)N 271570a_100000694244_100015193702 [0,0,0,1,0,1|2,0,0]=4 3450 B14R2.601 C=C(C)c1ccc2c(c1)CC(C2)O 271570a_100000694244_100010161096 [0,0,0,1,0,1|2,0,0]=4 3451 B14R2.601 CC(=O)c1ccc2[nH]c(cc2c1)C 1458a_100000044770_200000210301 [0,0,0,1,0,1|0,0,2]=4 3452 B14R2.601 CC(=O)c1ccc2[nH]c(nc2c1)C 1458a_100000698315_200000210301 [0,0,0,1,0,1|1,0,1]=4 3453 B14R2.601 CC(=O)c1ccc2c(c1)CC(O2)C 1458a_100000189409_200000210301 [0,0,0,1,0,1|0,0,0]=2 3454 B14R2.601 CC(=O)c1ccc2cc([nH]c2c1)C 1458a_100009852829_200000210301 [0,0,0,1,0,1|1,0,1]=4 3455 B14R2.601 CC(=O)c1ccc2cn(nc2c1)C 1458a_100009851285_200000210301 [0,0,0,1,0,1|2,0,0]=4 3456 B14R2.601 CC(=O)c1ccc2nc(oc2c1)C 1458a_100000688415_200000210301 [0,0,0,1,0,1|1,0,1]=4 3457 B14R2.601 CC(=O)c1ccc2nc(sc2c1)C 1458a_100000695894_200000210301 [0,0,0,1,0,1|1,0,1]=4 3458 B14R2.601 CC(=O)c1ccc2oc(cc2c1)C 1458a_100000068196_200000210301 [0,0,0,1,0,1|0,0,2]=4 3459 B14R2.601 CC(=O)c1ccc2oc(nc2c1)C 1458a_100000709727_200000210301 [0,0,0,1,0,1|1,0,1]=4 3460 B14R2.601 CC(=O)c1ccc2sc(nc2c1)C 1458a_100000016425_200000210301 [0,0,0,1,0,1|1,0,1]=4 3461 B14R2.601 CC1Cc2cc(ccc2O1)C(=O)[13CH3] 1458a_100000189409_200025704644 [0,0,0,1,0,1|0,0,0]=2 3462 B14R2.601 Cc1cc2cc(ccc2[nH]1)C(=O)[13CH3] 1458a_100000044770_200025704644 [0,0,0,1,0,1|0,0,2]=4 3463 B14R2.601 Cc1cc2cc(ccc2o1)C(=O)[13CH3] 1458a_100000068196_200025704644 [0,0,0,1,0,1|0,0,2]=4 3464 B14R2.601 Cc1cc2ccc(cc2[nH]1)C(=O)[13CH3] 1458a_100009852829_200025704644 [0,0,0,1,0,1|1,0,1]=4 3465 B14R2.601 Cc1nc2cc(ccc2[nH]1)C(=O)[13CH3] 1458a_100000698315_200025704644 [0,0,0,1,0,1|1,0,1]=4 3466 B14R2.601 Cc1nc2cc(ccc2o1)C(=O)[13CH3] 1458a_100000709727_200025704644 [0,0,0,1,0,1|1,0,1]=4 3467 B14R2.601 Cc1nc2cc(ccc2s1)C(=O)[13CH3] 1458a_100000016425_200025704644 [0,0,0,1,0,1|1,0,1]=4 3468 B14R2.601 Cc1nc2ccc(cc2o1)C(=O)[13CH3] 1458a_100000688415_200025704644 [0,0,0,1,0,1|1,0,1]=4 3469 B14R2.601 Cc1nc2ccc(cc2s1)C(=O)[13CH3] 1458a_100000695894_200025704644 [0,0,0,1,0,1|1,0,1]=4 3470 B14R2.601 Cn1cc2ccc(cc2n1)C(=O)[13CH3] 1458a_100009851285_200025704644 [0,0,0,1,0,1|2,0,0]=4 3471 B14R2.1006 BrC(=Cc1ccc(cc1)C2CC2)Br 271570a_100011220607_200013992848 [0,0,0,1,0,1|2,0,0]=4 3472 B14R2.1006 CC(=Cc1ccc(cc1)C2CC2)C 271570a_100102525489_100009820665 [0,0,0,1,0,1|1,0,0]=3 3473 B14R2.1006 CC(=Cc1ccc(cn1)C2CC2)C 271570a_100102525489_200000118129 [0,0,0,1,0,1|2,0,0]=4 3474 B14R2.1006 CC(=Cc1ccc(nc1)C2CC2)C 271570a_100102525489_100009850895 [0,0,0,1,0,1|2,0,0]=4 3475 B14R2.1006 CC(=O)Cc1ccc(cc1)C2CC2 271570a_100011220607_100000691760 [0,0,0,1,0,1|0,0,0]=2 3476 B14R2.1006 CC(=O)Nc1ccc(cc1)C2CC2 11a_100016991203_100015343762 [0,0,0,1,0,1|0,0,0]=2 3477 B14R2.1006 CC(=O)Nc1ccc(cc1)C2CC2 1626a_100016991203_100015343762 [0,0,0,1,0,1|0,0,0]=2 3478 B14R2.1006 CC(=O)Nc1ccc(cc1)C2CC2 22a_100016991203_100000070787 [0,0,0,1,0,1|0,0,0]=2 3479 B14R2.1006 CC(=O)Nc1ccc(cc1)C2CC2 271570a_100011220607_100000155215 [0,0,0,1,0,1|0,0,0]=2 3480 B14R2.1006 CC(=O)Nc1ccc(cc1)C2CC2 527a_100016991203_100103153847 [0,0,0,1,0,1|0,0,0]=2 3481 B14R2.1006 CC(=O)Nc1ccc(cn1)C2CC2 271570a_100011220607_100000193312 [0,0,0,1,0,1|1,0,0]=3 3482 B14R2.1006 CC(=O)Nc1ccc(nc1)C2CC2 271570a_100011220607_100011934715 [0,0,0,1,0,1|1,0,0]=3 3483 B14R2.1006 CC(=O)Nc1ccc(nn1)C2CC2 271570a_100011220607_100011804224 [0,0,0,1,0,1|2,0,0]=4 3484 B14R2.1006 CC(=O)Nc1ncc(cn1)C2CC2 271570a_100011220607_100010141023 [0,0,0,1,0,1|2,0,0]=4 3485 B14R2.1006 CC(=O)Oc1ccc(cc1)C2CC2 271570a_100011220607_100000002173 [0,0,0,1,0,1|0,0,0]=2 3486 B14R2.1006 CC(=O)Sc1ccc(cc1)C2CC2 271570a_100011220607_200009995050 [0,0,0,1,0,1|0,0,0]=2 3487 B14R2.1006 CC(=S)Oc1ccc(cc1)C2CC2 271570a_100011220607_200009816735 [0,0,0,1,0,1|0,1,0]=3 3488 B14R2.1006 CC(C)Cc1ccc(cc1)C2CC2 271570a_100011220607_100011221366 [0,0,0,1,0,1|1,0,1]=4 3489 B14R2.1006 CC(C)Nc1ccc(cc1)C2CC2 271570a_100011220607_100000219625 [0,0,0,1,0,1|1,0,1]=4 3490 B14R2.1006 CC(C)Nc1ccc(cc1)C2CC2 34a_100016991203_100000210206 [0,0,0,1,0,1|1,0,1]=4 3491 B14R2.1006 CC(C)Oc1ccc(cc1)C2CC2 271570a_100011220607_100000169947 [0,0,0,1,0,1|1,0,1]=4 3492 B14R2.1006 CC(C)Oc1ccc(cc1)C2CC2 34a_100011997980_100000210206 [0,0,0,1,0,1|1,0,1]=4 3493 B14R2.1006 CC(C)Oc1ccc(cc1)C2CC2 7a_100011997980_100000210206 [0,0,0,1,0,1|1,0,1]=4 3494 B14R2.1006 CC(C)Sc1ccc(cc1)C2CC2 271570a_100011220607_100009811894 [0,0,0,1,0,1|1,0,1]=4 3495 B14R2.1006 CC(C)Sc1ccc(cc1)C2CC2 62a_100000210206_100009820665 [0,0,0,1,0,1|1,0,1]=4 3496 B14R2.1006 CN(C)Cc1ccc(cc1)C2CC2 270004a_100102631434_100011263248 [0,0,0,1,0,1|2,0,0]=4 3497 B14R2.1006 CN(C)Cc1ccc(cc1)C2CC2 271570a_100011220607_100000174694 [0,0,0,1,0,1|2,0,0]=4 3498 B14R2.1006 FC(=Cc1ccc(cc1)C2CC2)F 271570a_100011220607_200009816947 [0,0,0,1,0,1|2,0,0]=4 3499 B14R2.1006 NC(=O)Cc1ccc(cc1)C2CC2 271570a_100011220607_100000162331 [0,0,0,1,0,1|1,0,0]=3 3500 B14R2.1006 NC(=O)Cc1ccc(cn1)C2CC2 271570a_100011220607_200010888337 [0,0,0,1,0,1|2,0,0]=4 3501 B14R2.1006 NC(=O)Cc1ccc(nc1)C2CC2 271570a_100011220607_200000071513 [0,0,0,1,0,1|2,0,0]=4 3502 B14R2.1006 NC(=O)Nc1ccc(cc1)C2CC2 271570a_100011220607_100000198584 [0,0,0,1,0,1|1,0,0]=3 3503 B14R2.9474 C=C(C)c1ccc(cc1)OC2CC2 271570a_100000694244_100000704264 [0,0,0,1,0,1|1,0,0]=3 3504 B14R2.9474 C=C(C)c1ccc(cc1)OC2CC2 34a_100009880102_100000211595 [0,0,0,1,0,1|1,0,0]=3 3505 B14R2.9474 C=C(C)c1ccc(cc1)SC2CC2 62a_100000185454_100000211595 [0,0,0,1,0,1|1,0,0]=3 3506 B14R2.9474 C=C(C)c1ccc(nc1)NC2CC2 271570a_100000694244_100011242975 [0,0,0,1,0,1|2,0,0]=4 3507 B14R2.9474 CC(=O)c1ccc(cc1)OC2CC2 34a_100000185113_100000211595 [0,0,0,1,0,1|0,0,0]=2 3508 B14R2.9474 CC(=O)c1ccc(cc1)SC2CC2 62a_100000185465_100000211595 [0,0,0,1,0,1|0,0,0]=2 3509 B14R2.9474 CC(=O)c1ccc(cn1)OC2CC2 34a_100012001710_100000211595 [0,0,0,1,0,1|1,0,0]=3 3510 B14R2.9474 CC(=O)c1ccc(cn1)SC2CC2 62a_100000686046_100000211595 [0,0,0,1,0,1|1,0,0]=3 3511 B14R2.9474 CC(=O)c1ccc(nc1)NC2CC2 27a_100000212008_100000690552 [0,0,0,1,0,1|1,0,0]=3 3512 B14R2.9474 CC(=O)c1ccc(nc1)SC2CC2 62a_100000684857_100000211595 [0,0,0,1,0,1|1,0,0]=3 3513 B14R2.9474 CC(=O)c1cnc(cn1)NC2CC2 27a_100000212008_100009883172 [0,0,0,1,0,1|2,0,0]=4 3514 B14R2.9474 CC(=O)c1cnc(cn1)SC2CC2 62a_100009883172_100000211595 [0,0,0,1,0,1|2,0,0]=4 3515 B14R2.9474 CC(=O)c1cnc(nc1)NC2CC2 27a_100000212008_100000099681 [0,0,0,1,0,1|2,0,0]=4 3516 B14R2.9474 CC(=O)c1cnc(nc1)SC2CC2 62a_100000099681_100000211595 [0,0,0,1,0,1|2,0,0]=4 3517 B14R2.9474 CC(=O)c1ncc(cn1)SC2CC2 62a_100010077182_100000211595 [0,0,0,1,0,1|2,0,0]=4 3518 B14R2.9474 CC(C)c1ccc(cc1)NC2CC2 34a_100000210773_100000211595 [0,0,0,1,0,1|1,0,1]=4 3519 B14R2.9474 CC(C)c1ccc(cc1)OC2CC2 34a_100000181308_100000211595 [0,0,0,1,0,1|1,0,1]=4 3520 B14R2.9474 CC(C)c1ccc(cc1)SC2CC2 62a_100000750031_100000211595 [0,0,0,1,0,1|1,0,1]=4 3521 B14R2.9474 CC(O)c1ccc(cc1)NC2CC2 34a_100011216399_100000211595 [0,0,0,1,0,1|0,0,2]=4 3522 B14R2.9474 CC(O)c1ccc(cc1)OC2CC2 34a_100000754508_100000211595 [0,0,0,1,0,1|0,0,2]=4 3523 B14R2.9474 CC(O)c1ccc(cc1)SC2CC2 62a_100000745893_100000211595 [0,0,0,1,0,1|0,0,2]=4 3524 B14R2.9474 CN(C)c1ccc(cc1)NC2CC2 34a_100016997997_100000211595 [0,0,0,1,0,1|2,0,0]=4 3525 B14R2.9474 CN(C)c1ccc(cc1)OC2CC2 34a_100000718910_100000211595 [0,0,0,1,0,1|2,0,0]=4 3526 B14R2.9474 CN(C)c1ccc(cc1)SC2CC2 62a_100000210421_100000211595 [0,0,0,1,0,1|2,0,0]=4 3527 B14R2.9474 CS(=O)c1ccc(cc1)OC2CC2 34a_200000064373_100000211595 [0,0,0,1,0,1|1,0,0]=3 3528 B14R2.9474 CS(=O)c1ccc(cc1)SC2CC2 62a_100009816266_100000211595 [0,0,0,1,0,1|1,0,0]=3 3529 B14R2.9474 C[C@@H](N)c1ccc(cc1)SC2CC2 62a_100000720352_100000211595 [0,0,0,1,0,1|1,0,1]=4 3530 B14R2.9474 C[C@H](N)c1ccc(cc1)OC2CC2 34a_100161106496_100000211595 [0,0,0,1,0,1|1,0,1]=4 3531 B14R2.9474 C[C@H](N)c1ccc(cc1)SC2CC2 62a_100000753911_100000211595 [0,0,0,1,0,1|1,0,1]=4 3532 B14R2.9474 C[S+](C)c1ccc(cc1)OC2CC2 34a_100010188728_100000211595 [0,0,0,1,0,1|2,0,0]=4 3533 B14R2.9474 NC(=O)c1ccc(cc1)NC2CC2 27a_100000212008_100000162191 [0,0,0,1,0,1|1,0,0]=3 3534 B14R2.9474 NC(=O)c1ccc(cc1)NC2CC2 34a_100000210537_100000211595 [0,0,0,1,0,1|1,0,0]=3 3535 B14R2.9474 NC(=O)c1ccc(cc1)OC2CC2 34a_100000746352_100000211595 [0,0,0,1,0,1|1,0,0]=3 3536 B14R2.9474 NC(=O)c1ccc(cc1)SC2CC2 62a_100000162191_100000211595 [0,0,0,1,0,1|1,0,0]=3 3537 B14R2.9474 NC(=O)c1ccc(cn1)SC2CC2 62a_100011219284_100000211595 [0,0,0,1,0,1|2,0,0]=4 3538 B14R2.9474 NC(=O)c1ccc(nc1)NC2CC2 27a_100000212008_100000162237 [0,0,0,1,0,1|2,0,0]=4 3539 B14R2.9474 NC(=O)c1ccc(nc1)SC2CC2 62a_100000162237_100000211595 [0,0,0,1,0,1|2,0,0]=4 3540 B14R2.9474 O=[N+]([O-])c1ccc(cc1)NC2CC2 34a_100015195142_100000211595 [0,0,0,1,0,1|2,0,0]=4 3541 B14R2.9474 O=[N+]([O-])c1ccc(cc1)OC2CC2 34a_100000185810_100000211595 [0,0,0,1,0,1|2,0,0]=4 3542 B14R2.4348 CC(=O)c1cc(c(cn1)C2CC2)C 271570a_100011220607_100011011822 [0,1,0,1,0,0|1,0,0]=3 3543 B14R2.4348 CC(=O)c1ccc(c(c1)Br)C2CC2 271570a_100011220607_100010146554 [0,1,0,1,0,0|0,0,0]=2 3544 B14R2.4348 CC(=O)c1ccc(c(c1)C)C2CC2 271570a_100011220607_100000697869 [0,1,0,1,0,0|0,0,0]=2 3545 B14R2.4348 CC(=O)c1ccc(c(c1)F)C2CC2 271570a_100011220607_100000690002 [0,1,0,1,0,0|0,0,0]=2 3546 B14R2.4348 CC(=O)c1ccc(c(c1)N)C2CC2 271570a_100011220607_100009816534 [0,1,0,1,0,0|0,0,0]=2 3547 B14R2.4348 CC(=O)c1cnc(c(c1)C)C2CC2 271570a_100011220607_100009864263 [0,1,0,1,0,0|1,0,0]=3 3548 B14R2.4348 CC(C)c1ccc(c(c1)Br)C2CC2 271570a_100011220607_200010212211 [0,1,0,1,0,0|1,0,1]=4 3549 B14R2.4348 C[C@H](N)c1ccc(c(c1)F)C2CC2 271570a_100011220607_100134618348 [0,1,0,1,0,0|1,0,1]=4 3550 B14R2.4348 Cc1cc(ccc1C2CC2)C(=O)N 271570a_100011220607_100011218126 [0,1,0,1,0,0|1,0,0]=3 3551 B14R2.4348 Cc1cc(ccc1C2CC2)N(C)C 271570a_100011220607_100011934168 [0,1,0,1,0,0|2,0,0]=4 3552 B14R2.4348 NC(=O)c1ccc(c(c1)Br)C2CC2 271570a_100011220607_100009814583 [0,1,0,1,0,0|1,0,0]=3 3553 B14R2.4348 NC(=O)c1ccc(c(c1)F)C2CC2 271570a_100011220607_100000686215 [0,1,0,1,0,0|1,0,0]=3 3554 B14R2.4348 NC(=O)c1ccc(c(c1)O)C2CC2 271570a_100011220607_100012344895 [0,1,0,1,0,0|1,0,0]=3 3555 B14R2.4349 C=C(C)c1ccc(cc1F)C2CC2 271570a_100000694244_100010281179 [0,1,0,1,0,0|1,0,0]=3 3556 B14R2.4349 CC(=O)c1ccc(cc1C)C2CC2 1458a_100009915035_200000210301 [0,1,0,1,0,0|0,0,0]=2 3557 B14R2.4349 CC(=O)c1ccc(cc1C)C2CC2 271570a_100011220607_100012360112 [0,1,0,1,0,0|0,0,0]=2 3558 B14R2.4349 CC(=O)c1ccc(cc1F)C2CC2 1458a_100011688859_200000210301 [0,1,0,1,0,0|0,0,0]=2 3559 B14R2.4349 CC(=O)c1ccc(cc1F)C2CC2 271570a_100011220607_100000690205 [0,1,0,1,0,0|0,0,0]=2 3560 B14R2.4349 CC(=O)c1ccc(cc1N)C2CC2 271570a_100011220607_100011590516 [0,1,0,1,0,0|0,0,0]=2 3561 B14R2.4349 CC(=O)c1ccc(cc1O)C2CC2 271570a_100011220607_100000188348 [0,1,0,1,0,0|0,0,0]=2 3562 B14R2.4349 CC(=O)c1ncc(cc1F)C2CC2 271570a_100011220607_100000696590 [0,1,0,1,0,0|1,0,0]=3 3563 B14R2.4349 CC(N)c1ccc(cc1F)C2CC2 271570a_100011220607_100000730447 [0,1,0,1,0,0|1,0,1]=4 3564 B14R2.4349 CN(C)c1ccc(cc1N)C2CC2 271570a_100011220607_100000737018 [0,1,0,1,0,0|2,0,0]=4 3565 B14R2.4349 Cc1cc(ccc1C(=O)N)C2CC2 271570a_100011220607_100011327924 [0,1,0,1,0,0|1,0,0]=3 3566 B14R2.4349 Cc1cc(ccc1C(=O)[13CH3])C2CC2 1458a_100009915035_200025704644 [0,1,0,1,0,0|0,0,0]=2 3567 B14R2.4349 Cc1cc(ncc1C(=O)N)C2CC2 271570a_100011220607_200134614278 [0,1,0,1,0,0|2,0,0]=4 3568 B14R2.4349 NC(=O)c1ccc(cc1Br)C2CC2 271570a_100011220607_200010146565 [0,1,0,1,0,0|1,0,0]=3 3569 B14R2.4349 NC(=O)c1ccc(cc1F)C2CC2 271570a_100011220607_100000216903 [0,1,0,1,0,0|1,0,0]=3 3570 B14R2.4349 NC(=O)c1ccc(cc1N)C2CC2 271570a_100011220607_100012349972 [0,1,0,1,0,0|1,0,0]=3 3571 B14R2.4349 NC(=O)c1ccc(cc1O)C2CC2 271570a_100011220607_100011550861 [0,1,0,1,0,0|1,0,0]=3 3572 B14R2.4349 NC(=O)c1ccc(nc1N)C2CC2 271570a_100011220607_100009875182 [0,1,0,1,0,0|2,0,0]=4 3573 B14R2.4349 NC(=O)c1ncc(cc1F)C2CC2 271570a_100011220607_200010161073 [0,1,0,1,0,0|2,0,0]=4 3574 B14R2.4349 NC(=O)c1ncc(cc1N)C2CC2 271570a_100011220607_100010235749 [0,1,0,1,0,0|2,0,0]=4 3575 B14R2.4349 [13CH3]C(=O)c1ccc(cc1F)C2CC2 1458a_100011688859_200025704644 [0,1,0,1,0,0|0,0,0]=2 3576 B14R2.5719 C=C(C)c1ccc2c(c1)CCC2=O 271570a_100000694244_100000737041 [0,1,0,1,0,0|0,0,2]=4 3577 B14R2.5719 C=C(C)c1ccc2c(c1)CCC2N 271570a_100000694244_100000744021 [0,1,0,1,0,0|2,0,0]=4 3578 B14R2.5719 C=C(C)c1ccc2c(c1)CCC2O 271570a_100000694244_100000747877 [0,1,0,1,0,0|2,0,0]=4 3579 B14R2.5719 C=C(C)c1ccc2c(c1)CCN2C 271570a_100000694244_100009815432 [0,1,0,1,0,0|2,0,0]=4 3580 B14R2.5719 C=C(C)c1ccc2c(c1)CNC2=O 271570a_100000694244_100000692135 [0,1,0,1,0,0|0,0,2]=4 3581 B14R2.5719 C=C(C)c1ccc2c(c1)COC2=O 271570a_100000694244_100009816608 [0,1,0,1,0,0|0,0,2]=4 3582 B14R2.5719 C=C(C)c1ccc2c(c1)OCC2=O 271570a_100000694244_100000686717 [0,1,0,1,0,0|0,0,2]=4 3583 B14R2.5719 C=C(C)c1ccc2c(c1)OCC2N 271570a_100000694244_100020628175 [0,1,0,1,0,0|2,0,0]=4 3584 B14R2.5719 CC(=O)c1ccc2c(c1)CCN2C 1458a_100000708782_200000210301 [0,1,0,1,0,0|1,0,0]=3 3585 B14R2.5719 CC(=O)c1ccc2c(c1)CNC2=O 1458a_100009866785_200000210301 [0,1,0,1,0,0|1,0,1]=4 3586 B14R2.5719 CC(=O)c1ccc2c(c1)COC2=O 1458a_100000049098_200000210301 [0,1,0,1,0,0|1,0,1]=4 3587 B14R2.5719 CC(=O)c1ccc2c(c1)ccn2C 1458a_100011912520_200000210301 [0,1,0,1,0,0|1,0,1]=4 3588 B14R2.5719 CC(=O)c1ccc2c(c1)cnn2C 1458a_100009866526_200000210301 [0,1,0,1,0,0|1,0,1]=4 3589 B14R2.5719 CC(=O)c1ccc2c(c1)ncn2C 1458a_100000733711_200000210301 [0,1,0,1,0,0|1,0,1]=4 3590 B14R2.5719 CC(=O)c1ccc2c(c1)nnn2C 1458a_100011218984_200000210301 [0,1,0,1,0,0|2,0,0]=4 3591 B14R2.5719 CN(C)c1ccc2c(n1)CNC2=O 27a_100102631434_200009864240 [0,1,0,1,0,0|2,0,0]=4 3592 B14R2.5719 CN1CCc2c1ccc(c2)C(=O)[13CH3] 1458a_100000708782_200025704644 [0,1,0,1,0,0|1,0,0]=3 3593 B14R2.5719 Cn1ccc2c1ccc(c2)C(=O)[13CH3] 1458a_100011912520_200025704644 [0,1,0,1,0,0|1,0,1]=4 3594 B14R2.5719 Cn1cnc2c1ccc(c2)C(=O)[13CH3] 1458a_100000733711_200025704644 [0,1,0,1,0,0|1,0,1]=4 3595 B14R2.5719 Cn1ncc2c1ccc(c2)C(=O)[13CH3] 1458a_100009866526_200025704644 [0,1,0,1,0,0|1,0,1]=4 3596 B14R2.5719 Cn1nnc2c1ccc(c2)C(=O)[13CH3] 1458a_100011218984_200025704644 [0,1,0,1,0,0|2,0,0]=4 3597 B14R2.5719 [13CH3]C(=O)c1ccc2c(c1)CNC2=O 1458a_100009866785_200025704644 [0,1,0,1,0,0|1,0,1]=4 3598 B14R2.5719 [13CH3]C(=O)c1ccc2c(c1)COC2=O 1458a_100000049098_200025704644 [0,1,0,1,0,0|1,0,1]=4 3599 B14R2.3123 CC(C)(C)c1ccc(cc1)C2CC2 271570a_100011220607_100011215385 [0,1,0,1,0,0|1,0,1]=4 3600 B14R2.3123 CC(C)(N)c1ccc(cc1)C2CC2 271570a_100011220607_100000739617 [0,1,0,1,0,0|1,0,1]=4 3601 B14R2.3123 CC(C)(O)c1ccc(cc1)C2CC2 271570a_100011220607_100000753367 [0,1,0,1,0,0|0,0,2]=4 3602 B14R2.3123 CC(F)(F)c1ccc(cc1)C2CC2 271570a_100011220607_100009817129 [0,1,0,1,0,0|1,0,1]=4 3603 B14R2.3123 CS(=O)(=O)c1ccc(cc1)C2CC2 271570a_100011220607_100000765142 [0,1,0,1,0,0|1,0,0]=3 3604 B14R2.3123 CS(=O)(=O)c1ccc(cn1)C2CC2 271570a_100011220607_100009814649 [0,1,0,1,0,0|2,0,0]=4 3605 B14R2.3123 CS(=O)(=O)c1ccc(nc1)C2CC2 271570a_100011220607_100009816761 [0,1,0,1,0,0|2,0,0]=4 3606 B14R2.3123 C[Si](C)(C)c1ccc(cc1)C2CC2 271570a_100011220607_100009813420 [0,1,0,1,0,0|1,1,0]=4 3607 B14R2.3123 NS(=O)(=O)c1ccc(cc1)C2CC2 271570a_100011220607_100000701559 [0,1,0,1,0,0|2,0,0]=4 3608 B14R2.9476 C=C(C)c1ccc(cc1)C2(CC2)N 271570a_100000694244_100000742681 [0,1,0,1,0,0|1,0,0]=3 3609 B14R2.964 CC(C#N)c1ccc(cc1)C2CC2 271570a_100011220607_100000695319 [0,1,0,1,0,0|1,0,1]=4 3610 B14R2.964 CCC(=O)c1ccc(cc1)C2CC2 1458a_100011688853_100000210202 [0,1,0,1,0,0|0,0,0]=2 3611 B14R2.964 CCC(=O)c1ccc(cc1)C2CC2 271570a_100011220607_100000211647 [0,1,0,1,0,0|0,0,0]=2 3612 B14R2.964 CCC(=O)c1ccc(cn1)C2CC2 271570a_100011220607_100012351654 [0,1,0,1,0,0|1,0,0]=3 3613 B14R2.964 CCC(=O)c1ncc(cn1)C2CC2 271570a_100011220607_200010116844 [0,1,0,1,0,0|2,0,0]=4 3614 B14R2.964 CCC(C)c1ccc(cc1)C2CC2 271570a_100011220607_100011221364 [0,1,0,1,0,0|1,0,1]=4 3615 B14R2.964 CCC(O)c1ccc(cc1)C2CC2 271570a_100011220607_100000246506 [0,1,0,1,0,0|0,0,2]=4 3616 B14R2.964 CC[C@H](N)c1ccc(cc1)C2CC2 271570a_100011220607_100025736560 [0,1,0,1,0,0|1,0,1]=4 3617 B14R2.964 CNC(=O)c1ccc(cc1)C2CC2 11a_106832991635_100011688853 [0,1,0,1,0,0|0,0,0]=2 3618 B14R2.964 CNC(=O)c1ccc(cc1)C2CC2 1626a_100102657272_100011688853 [0,1,0,1,0,0|0,0,0]=2 3619 B14R2.964 CNC(=O)c1ccc(cc1)C2CC2 240690a_100102657272_100011688853 [0,1,0,1,0,0|0,0,0]=2 3620 B14R2.964 CNC(=O)c1ccc(cc1)C2CC2 271570a_100011220607_100000155074 [0,1,0,1,0,0|0,0,0]=2 3621 B14R2.964 CNC(=O)c1ccc(cc1)C2CC2 527a_100102657272_100011688853 [0,1,0,1,0,0|0,0,0]=2 3622 B14R2.964 CNC(=O)c1ccc(cn1)C2CC2 271570a_100011220607_100011781262 [0,1,0,1,0,0|1,0,0]=3 3623 B14R2.964 CNC(=O)c1ccc(nc1)C2CC2 271570a_100011220607_100000159860 [0,1,0,1,0,0|1,0,0]=3 3624 B14R2.964 CNC(=O)c1ncc(cn1)C2CC2 271570a_100011220607_200010127873 [0,1,0,1,0,0|2,0,0]=4 3625 B14R2.964 CNC(C)c1ccc(cc1)C2CC2 269862a_106832991636_100011236181 [0,1,0,1,0,0|1,0,1]=4 3626 B14R2.964 CNC(C)c1ccc(cc1)C2CC2 271570a_100011220607_100000231103 [0,1,0,1,0,0|1,0,1]=4 3627 B14R2.964 COC(=O)c1ccc(cc1)C2CC2 271570a_100011220607_100000150774 [0,1,0,1,0,0|0,0,0]=2 3628 B14R2.964 COC(=O)c1ccc(cn1)C2CC2 271570a_100011220607_100000690920 [0,1,0,1,0,0|1,0,0]=3 3629 B14R2.964 COC(=O)c1ccc(nc1)C2CC2 271570a_100011220607_100000733799 [0,1,0,1,0,0|1,0,0]=3 3630 B14R2.964 COC(=O)c1ccc(nn1)C2CC2 271570a_100011220607_100009816182 [0,1,0,1,0,0|2,0,0]=4 3631 B14R2.964 COC(=O)c1cnc(cn1)C2CC2 271570a_100011220607_100010219404 [0,1,0,1,0,0|2,0,0]=4 3632 B14R2.964 COC(=O)c1cnc(nc1)C2CC2 271570a_100011220607_100000729365 [0,1,0,1,0,0|2,0,0]=4 3633 B14R2.964 COC(=O)c1ncc(cn1)C2CC2 271570a_100011220607_100000690087 [0,1,0,1,0,0|2,0,0]=4 3634 B14R2.964 COC(C)c1ccc(cc1)C2CC2 271570a_100011220607_100010254937 [0,1,0,1,0,0|0,0,2]=4 3635 B14R2.964 N#CC(=O)c1ccc(cc1)C2CC2 271570a_100011220607_100009994572 [0,1,0,1,0,0|0,0,1]=3 3636 B14R2.964 NC(CO)c1ccc(cc1)C2CC2 271570a_100011220607_100000734186 [0,1,0,1,0,0|1,0,1]=4 3637 B14R2.964 NCC(=O)c1ccc(cc1)C2CC2 271570a_100011220607_100000017248 [0,1,0,1,0,0|0,0,0]=2 3638 B14R2.964 NCC(O)c1ccc(cc1)C2CC2 271570a_100011220607_100020626992 [0,1,0,1,0,0|0,0,2]=4 3639 B14R2.964 NNC(=O)c1ccc(cc1)C2CC2 271570a_100011220607_100000183614 [0,1,0,1,0,0|1,0,0]=3 3640 B14R2.964 NNC(=O)c1ccc(cn1)C2CC2 271570a_100011220607_100011781063 [0,1,0,1,0,0|2,0,0]=4 3641 B14R2.964 NNC(=O)c1ccc(nc1)C2CC2 271570a_100011220607_100000189807 [0,1,0,1,0,0|2,0,0]=4 3642 B14R2.964 O=C(CF)c1ccc(cc1)C2CC2 1458a_100011688853_100015361967 [0,1,0,1,0,0|0,0,0]=2 3643 B14R2.964 O=C(CO)c1ccc(cc1)C2CC2 271570a_100011220607_100011219529 [0,1,0,1,0,0|0,0,0]=2 3644 B14R2.964 O=CC(=O)c1ccc(cc1)C2CC2 271570a_100011220607_100000725942 [0,1,0,1,0,0|0,0,1]=3 3645 B14R2.964 OCC(O)c1ccc(cc1)C2CC2 271570a_100011220607_200012355997 [0,1,0,1,0,0|0,0,2]=4 3646 B14R2.9475 C=C(C)c1ccc(cc1)C2CCC2 271570a_100000694244_200010114027 [0,1,0,1,0,0|1,0,0]=3 3647 B14R2.9475 C=C(C)c1ccc(cc1)C2COC2 271570a_100000694244_100010732642 [0,1,0,1,0,0|1,0,0]=3 3648 B14R2.9475 CC(=O)c1ccc(cc1)N2CCC2 1458a_100012625857_200000210301 [0,1,0,1,0,0|1,0,0]=3 3649 B14R2.9475 CC(=O)c1ccc(nc1)N2CCC2 27a_100000754969_100000690552 [0,1,0,1,0,0|2,0,0]=4 3650 B14R2.9475 NC(=O)c1ccc(cc1)N2CCC2 27a_100000754969_100000162191 [0,1,0,1,0,0|2,0,0]=4 3651 B14R2.9475 [13CH3]C(=O)c1ccc(cc1)N2CCC2 1458a_100012625857_200025704644 [0,1,0,1,0,0|1,0,0]=3 3652 B14R3.14812 c1cc(ccc1C2CC2)C3CC3 271570a_100011220607_100009820665 [0,0,0,2,0,0|1,0,1]=4 3653 B10R1.31 C=C(C)c1ccc(s1)CC 271570a_100000694244_100009844052 [1,0,0,0,1,0|2,0,0]=4 3654 B10R1.31 C=C(C)c1csc(c1)CC 271570a_100000694244_100009846239 [1,0,0,0,1,0|2,0,0]=4 3655 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_100000718618_200025704644 [1,0,0,0,1,0|2,0,0]=4 3656 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_200025704644_100000718618 [1,0,0,0,1,0|2,0,0]=4 3657 B10R1.31 CC(=O)c1ccc([nH]1)S[13CH3] 62a_200010494458_200025704644 [1,0,0,0,1,0|2,0,0]=4 3658 B10R1.31 CC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000229899 [1,0,0,0,1,0|2,0,0]=4 3659 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_100000183331_200025704644 [1,0,0,0,1,0|2,0,0]=4 3660 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200000034408 [1,0,0,0,1,0|2,0,0]=4 3661 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200012344231_200025704644 [1,0,0,0,1,0|2,0,0]=4 3662 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200025704644_200012344231 [1,0,0,0,1,0|2,0,0]=4 3663 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200000210301_200012344231 [1,0,0,0,1,0|2,0,0]=4 3664 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200012344231_200000210301 [1,0,0,0,1,0|2,0,0]=4 3665 B10R1.31 CSc1ccc([nH]1)C(=O)C 62a_200010494458_200000210301 [1,0,0,0,1,0|2,0,0]=4 3666 B10R1.31 CSc1ccc(o1)C(=O)C 62a_200000210301_100000229899 [1,0,0,0,1,0|2,0,0]=4 3667 B10R1.31 CSc1ccc(s1)C(=O)C 62a_100000183331_200000210301 [1,0,0,0,1,0|2,0,0]=4 3668 B10R1.31 CSc1ccc(s1)C(=O)C 62a_200000210301_200000034408 [1,0,0,0,1,0|2,0,0]=4 3669 B10R1.31 CSc1csc(c1)C(=O)C 62a_100000718618_200000210301 [1,0,0,0,1,0|2,0,0]=4 3670 B10R1.31 CSc1csc(c1)C(=O)C 62a_200000210301_100000718618 [1,0,0,0,1,0|2,0,0]=4 3671 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000140223 [1,0,0,0,0,1|0,0,2]=4 3672 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_200009884166_200000210301 [1,0,0,0,0,1|0,0,2]=4 3673 B12R1.4 C#Cc1ccc(cc1)CC(=O)[13CH3] 1458a_200009884166_200025704644 [1,0,0,0,0,1|0,0,2]=4 3674 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 11a_100011215031_100015343762 [1,0,0,0,0,1|0,0,2]=4 3675 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 1626a_100011215031_100015343762 [1,0,0,0,0,1|0,0,2]=4 3676 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 22a_100011215031_100000070787 [1,0,0,0,0,1|0,0,2]=4 3677 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 527a_100011215031_100103153847 [1,0,0,0,0,1|0,0,2]=4 3678 B12R1.4 C#Cc1ccc(cc1)NC(C)C 34a_100011215031_100000210206 [1,0,0,0,0,1|0,0,2]=4 3679 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000034074 [1,0,0,0,0,1|0,0,2]=4 3680 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 271570a_100011290941_100000691760 [1,0,0,0,0,1|0,0,2]=4 3681 B12R1.4 C=Cc1ccc(cc1)CC(C)C 271570a_100011290941_100011221366 [1,0,0,0,0,1|0,0,1]=3 3682 B12R1.4 C=Cc1ccc(cc1)CN(C)C 2230a_100102631434_100000034074 [1,0,0,0,0,1|1,0,1]=4 3683 B12R1.4 C=Cc1ccc(cc1)CN(C)C 269982a_100102631434_100000034074 [1,0,0,0,0,1|1,0,1]=4 3684 B12R1.4 C=Cc1ccc(cc1)CN(C)C 270004a_100102631434_100011361436 [1,0,0,0,0,1|1,0,1]=4 3685 B12R1.4 C=Cc1ccc(cc1)CN(C)C 271570a_100011290941_100000174694 [1,0,0,0,0,1|1,0,1]=4 3686 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 11a_100011218248_100015343762 [1,0,0,0,0,1|0,0,2]=4 3687 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 1626a_100011218248_100015343762 [1,0,0,0,0,1|0,0,2]=4 3688 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 22a_100011218248_100000070787 [1,0,0,0,0,1|0,0,2]=4 3689 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 271570a_100011290941_100000155215 [1,0,0,0,0,1|0,0,2]=4 3690 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 527a_100011218248_100103153847 [1,0,0,0,0,1|0,0,2]=4 3691 B12R1.4 C=Cc1ccc(cc1)NC(C)C 271570a_100011290941_100000219625 [1,0,0,0,0,1|0,0,1]=3 3692 B12R1.4 C=Cc1ccc(cc1)NC(C)C 34a_100011218248_100000210206 [1,0,0,0,0,1|0,0,1]=3 3693 B12R1.4 C=Cc1ccc(cc1)OC(=O)C 271570a_100011290941_100000002173 [1,0,0,0,0,1|0,0,2]=4 3694 B12R1.4 C=Cc1ccc(cc1)OC(C)C 271570a_100011290941_100000169947 [1,0,0,0,0,1|0,0,1]=3 3695 B12R1.4 C=Cc1ccc(cc1)OC(C)C 34a_100000189437_100000210206 [1,0,0,0,0,1|0,0,1]=3 3696 B12R1.4 C=Cc1ccc(cc1)OC(C)C 7a_100000189437_100000210206 [1,0,0,0,0,1|0,0,1]=3 3697 B12R1.4 C=Cc1ccc(cc1)SC(=O)C 271570a_100011290941_200009995050 [1,0,0,0,0,1|0,0,2]=4 3698 B12R1.4 C=Cc1ccc(cc1)SC(C)C 271570a_100011290941_100009811894 [1,0,0,0,0,1|0,0,1]=3 3699 B12R1.4 C=Cc1ccc(cc1)SC(C)C 62a_100000210206_100000748128 [1,0,0,0,0,1|0,0,1]=3 3700 B12R1.4 C=Cc1ccc(cc1)SC(C)C 62a_100000748128_100000210206 [1,0,0,0,0,1|0,0,1]=3 3701 B12R1.4 C=Cc1ccc(cn1)OC(C)C 271570a_100011290941_100012354243 [1,0,0,0,0,1|1,0,1]=4 3702 B12R1.4 C=Cc1ccc(nc1)OC(C)C 271570a_100011290941_100000688564 [1,0,0,0,0,1|1,0,1]=4 3703 B12R1.4 C=Cc1ccc(nc1)SC(C)C 62a_100000210206_103436540071 [1,0,0,0,0,1|1,0,1]=4 3704 B12R1.4 C=Cc1ccc(nc1)SC(C)C 62a_103436540071_100000210206 [1,0,0,0,0,1|1,0,1]=4 3705 B12R1.4 CC(=Cc1ccc(cc1)C=O)C 271570a_100102525489_100000186029 [1,0,0,0,0,1|0,0,1]=3 3706 B12R1.4 CC(=Cc1ccc(cc1)CF)C 271570a_100102525489_100010268989 [1,0,0,0,0,1|2,0,0]=4 3707 B12R1.4 CC(=Cc1ccc(cc1)CN)C 271570a_100102525489_100016989417 [1,0,0,0,0,1|2,0,0]=4 3708 B12R1.4 CC(=Cc1ccc(cc1)CO)C 271570a_100102525489_100000690907 [1,0,0,0,0,1|2,0,0]=4 3709 B12R1.4 CC(=Cc1ccc(cn1)C=O)C 271570a_100102525489_100000766901 [1,0,0,0,0,1|1,0,1]=4 3710 B12R1.4 CC(=Cc1ccc(nc1)C=O)C 271570a_100102525489_100000754260 [1,0,0,0,0,1|1,0,1]=4 3711 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000070787_100000184898 [1,0,0,0,0,1|1,0,1]=4 3712 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200000210301 [1,0,0,0,0,1|1,0,1]=4 3713 B12R1.4 CC(=O)Cc1ccc(cc1)C=O 1458a_100000070787_100000075337 [1,0,0,0,0,1|1,0,1]=4 3714 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100000070787_100000067286 [1,0,0,0,0,1|1,0,0]=3 3715 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100011356463_200000210301 [1,0,0,0,0,1|1,0,0]=3 3716 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 34a_100011218180_200025704644 [1,0,0,0,0,1|1,0,0]=3 3717 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 7a_100011218180_200025704644 [1,0,0,0,0,1|1,0,0]=3 3718 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000691760_200025704644 [1,0,0,0,0,1|1,0,0]=3 3719 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000691760 [1,0,0,0,0,1|1,0,0]=3 3720 B12R1.4 CC(=O)Nc1ccc(cc1)C#N 11a_100000185469_100015343762 [1,0,0,0,0,1|1,0,1]=4 3721 B12R1.4 CC(=O)Nc1ccc(cc1)C#N 1626a_100000185469_100015343762 [1,0,0,0,0,1|1,0,1]=4 3722 B12R1.4 CC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000070787 [1,0,0,0,0,1|1,0,0]=3 3723 B12R1.4 CC(=O)Nc1ccc(cc1)N[13CH3] 34a_100000184111_200025704644 [1,0,0,0,0,1|1,0,0]=3 3724 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100000184395_200025704644 [1,0,0,0,0,1|1,0,0]=3 3725 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 7a_100000184395_200025704644 [1,0,0,0,0,1|1,0,0]=3 3726 B12R1.4 CC(=O)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000155215 [1,0,0,0,0,1|1,0,0]=3 3727 B12R1.4 CC(=O)Nc1ccc(cn1)O[13CH3] 34a_200000094647_200025704644 [1,0,0,0,0,1|2,0,0]=4 3728 B12R1.4 CC(=O)Nc1ccc(cn1)O[13CH3] 7a_200000094647_200025704644 [1,0,0,0,0,1|2,0,0]=4 3729 B12R1.4 CC(=O)Nc1ccc(cn1)S[13CH3] 62a_200025704644_100000193312 [1,0,0,0,0,1|2,0,0]=4 3730 B12R1.4 CC(=O)Nc1ccc(nc1)S[13CH3] 62a_200025704644_100011934715 [1,0,0,0,0,1|2,0,0]=4 3731 B12R1.4 CC(=O)Oc1ccc(cc1)S[13CH3] 62a_200025704644_100000002173 [1,0,0,0,0,1|1,0,0]=3 3732 B12R1.4 CC(=O)Sc1ccc(cc1)S[13CH3] 62a_200009995050_200025704644 [1,0,0,0,0,1|1,0,0]=3 3733 B12R1.4 CC(=S)Oc1ccc(cc1)S[13CH3] 62a_200025704644_200009816735 [1,0,0,0,0,1|1,1,0]=4 3734 B12R1.4 CC(C)Cc1ccc(cc1)N[13CH3] 2230a_100000687309_200025704644 [1,0,0,0,0,1|1,0,0]=3 3735 B12R1.4 CC(C)Cc1ccc(cc1)N[13CH3] 34a_100000687309_200025704644 [1,0,0,0,0,1|1,0,0]=3 3736 B12R1.4 CC(C)Cc1ccc(cc1)S[13CH3] 62a_100011221366_200025704644 [1,0,0,0,0,1|1,0,0]=3 3737 B12R1.4 CC(C)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100011221366 [1,0,0,0,0,1|1,0,0]=3 3738 B12R1.4 CC(C)Nc1ccc(cc1)C#N 34a_100000185469_100000210206 [1,0,0,0,0,1|1,0,1]=4 3739 B12R1.4 CC(C)Nc1ccc(cc1)CO 2230a_100011215238_100000210206 [1,0,0,0,0,1|0,0,2]=4 3740 B12R1.4 CC(C)Nc1ccc(cc1)CO 34a_100011215238_100000210206 [1,0,0,0,0,1|0,0,2]=4 3741 B12R1.4 CC(C)Nc1ccc(cc1)S[13CH3] 62a_100000219625_200025704644 [1,0,0,0,0,1|1,0,0]=3 3742 B12R1.4 CC(C)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000219625 [1,0,0,0,0,1|1,0,0]=3 3743 B12R1.4 CC(C)Nc1cnc(cn1)C=O 27a_100138425928_100012001714 [1,0,0,0,0,1|2,0,0]=4 3744 B12R1.4 CC(C)Nc1ncc(cn1)C=O 27a_100138425928_100000070856 [1,0,0,0,0,1|2,0,0]=4 3745 B12R1.4 CC(C)Oc1ccc(cc1)C#N 34a_100000210344_100000210206 [1,0,0,0,0,1|1,0,1]=4 3746 B12R1.4 CC(C)Oc1ccc(cc1)C#N 7a_100000210344_100000210206 [1,0,0,0,0,1|1,0,1]=4 3747 B12R1.4 CC(C)Oc1ccc(cc1)CN 34a_100000185549_100000210206 [1,0,0,0,0,1|1,0,1]=4 3748 B12R1.4 CC(C)Oc1ccc(cc1)CO 34a_100000211755_100000210206 [1,0,0,0,0,1|0,0,2]=4 3749 B12R1.4 CC(C)Oc1ccc(cc1)N[13CH3] 2230a_100011194259_200025704644 [1,0,0,0,0,1|1,0,0]=3 3750 B12R1.4 CC(C)Oc1ccc(cc1)N[13CH3] 34a_100011194259_200025704644 [1,0,0,0,0,1|1,0,0]=3 3751 B12R1.4 CC(C)Oc1ccc(cc1)O[13CH3] 34a_100000757185_200025704644 [1,0,0,0,0,1|1,0,0]=3 3752 B12R1.4 CC(C)Oc1ccc(cc1)O[13CH3] 7a_100000757185_200025704644 [1,0,0,0,0,1|1,0,0]=3 3753 B12R1.4 CC(C)Oc1ccc(cc1)S[13CH3] 62a_100000169947_200025704644 [1,0,0,0,0,1|1,0,0]=3 3754 B12R1.4 CC(C)Oc1ccc(cc1)S[13CH3] 62a_200025704644_100000169947 [1,0,0,0,0,1|1,0,0]=3 3755 B12R1.4 CC(C)Oc1ccc(cn1)O[13CH3] 34a_100009858630_200025704644 [1,0,0,0,0,1|2,0,0]=4 3756 B12R1.4 CC(C)Oc1ccc(cn1)S[13CH3] 62a_100000688564_200025704644 [1,0,0,0,0,1|2,0,0]=4 3757 B12R1.4 CC(C)Oc1ccc(cn1)S[13CH3] 62a_200025704644_100000688564 [1,0,0,0,0,1|2,0,0]=4 3758 B12R1.4 CC(C)Oc1ccc(nc1)S[13CH3] 62a_100012354243_200025704644 [1,0,0,0,0,1|2,0,0]=4 3759 B12R1.4 CC(C)Oc1ccc(nc1)S[13CH3] 62a_200025704644_100012354243 [1,0,0,0,0,1|2,0,0]=4 3760 B12R1.4 CC(C)Sc1ccc(cc1)C#N 62a_100000210206_100000184291 [1,0,0,0,0,1|1,0,1]=4 3761 B12R1.4 CC(C)Sc1ccc(cc1)C=O 62a_100000188517_100000210206 [1,0,0,0,0,1|0,0,0]=2 3762 B12R1.4 CC(C)Sc1ccc(cc1)C=O 62a_100000210206_100000188517 [1,0,0,0,0,1|0,0,0]=2 3763 B12R1.4 CC(C)Sc1ccc(cc1)CF 62a_100000210206_100010268989 [1,0,0,0,0,1|1,0,1]=4 3764 B12R1.4 CC(C)Sc1ccc(cc1)CF 62a_100010268989_100000210206 [1,0,0,0,0,1|1,0,1]=4 3765 B12R1.4 CC(C)Sc1ccc(cc1)CN 62a_100000210206_100016989417 [1,0,0,0,0,1|1,0,1]=4 3766 B12R1.4 CC(C)Sc1ccc(cc1)CN 62a_100016989417_100000210206 [1,0,0,0,0,1|1,0,1]=4 3767 B12R1.4 CC(C)Sc1ccc(cc1)CO 62a_100000210206_100000690907 [1,0,0,0,0,1|0,0,2]=4 3768 B12R1.4 CC(C)Sc1ccc(cc1)CO 62a_100000690907_100000210206 [1,0,0,0,0,1|0,0,2]=4 3769 B12R1.4 CC(C)Sc1ccc(cc1)NN 62a_100000210206_100016988836 [1,0,0,0,0,1|2,0,0]=4 3770 B12R1.4 CC(C)Sc1ccc(cc1)NN 62a_100016988836_100000210206 [1,0,0,0,0,1|2,0,0]=4 3771 B12R1.4 CC(C)Sc1ccc(cc1)S[13CH3] 62a_100009811894_200025704644 [1,0,0,0,0,1|1,0,0]=3 3772 B12R1.4 CC(C)Sc1ccc(cc1)S[13CH3] 62a_200025704644_100009811894 [1,0,0,0,0,1|1,0,0]=3 3773 B12R1.4 CC(C)Sc1ccc(cn1)C=O 62a_100000210206_100000766901 [1,0,0,0,0,1|1,0,0]=3 3774 B12R1.4 CC(C)Sc1ccc(cn1)C=O 62a_100000766901_100000210206 [1,0,0,0,0,1|1,0,0]=3 3775 B12R1.4 CC(C)Sc1ccc(nc1)C=O 62a_100000210206_100000754260 [1,0,0,0,0,1|1,0,0]=3 3776 B12R1.4 CC(C)Sc1ccc(nc1)C=O 62a_100000754260_100000210206 [1,0,0,0,0,1|1,0,0]=3 3777 B12R1.4 CC(C)Sc1ccc(nn1)C=O 62a_100000044651_100000210206 [1,0,0,0,0,1|2,0,0]=4 3778 B12R1.4 CC(C)Sc1ccc(nn1)C=O 62a_100000210206_100000044651 [1,0,0,0,0,1|2,0,0]=4 3779 B12R1.4 CC(C)Sc1cnc(cn1)C=O 62a_100000210206_100012001714 [1,0,0,0,0,1|2,0,0]=4 3780 B12R1.4 CC(C)Sc1cnc(cn1)C=O 62a_100012001714_100000210206 [1,0,0,0,0,1|2,0,0]=4 3781 B12R1.4 CC(C)Sc1ncc(cn1)C=O 62a_100000070856_100000210206 [1,0,0,0,0,1|2,0,0]=4 3782 B12R1.4 CC(C)Sc1ncc(cn1)C=O 62a_100000210206_100000070856 [1,0,0,0,0,1|2,0,0]=4 3783 B12R1.4 CC(N)Cc1ccc(cc1)O[13CH3] 34a_100102634573_200025704644 [1,0,0,0,0,1|2,0,0]=4 3784 B12R1.4 CCc1ccc(cc1)C=C(C)C 271570a_100102525489_100011215824 [1,0,0,0,0,1|1,0,0]=3 3785 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_100000070787_100000747183 [1,0,0,0,0,1|0,0,0]=2 3786 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_200000759805_200000210301 [1,0,0,0,0,1|0,0,0]=2 3787 B12R1.4 CCc1ccc(cc1)CC(=O)[13CH3] 1458a_200000759805_200025704644 [1,0,0,0,0,1|0,0,0]=2 3788 B12R1.4 CCc1ccc(cc1)CN(C)C 2230a_100000683253_200000210301 [1,0,0,0,0,1|1,0,1]=4 3789 B12R1.4 CCc1ccc(cc1)CN(C)C 2230a_100102631434_100000747183 [1,0,0,0,0,1|1,0,1]=4 3790 B12R1.4 CCc1ccc(cc1)CN(C)C 269982a_100000683253_200000210301 [1,0,0,0,0,1|1,0,1]=4 3791 B12R1.4 CCc1ccc(cc1)CN(C)C 269982a_100102631434_100000747183 [1,0,0,0,0,1|1,0,1]=4 3792 B12R1.4 CCc1ccc(cc1)CN(C)C 270004a_100102631434_100000211036 [1,0,0,0,0,1|1,0,1]=4 3793 B12R1.4 CCc1ccc(cc1)CN(C)[13CH3] 2230a_100000683253_200025704644 [1,0,0,0,0,1|1,0,1]=4 3794 B12R1.4 CCc1ccc(cc1)CN(C)[13CH3] 269982a_100000683253_200025704644 [1,0,0,0,0,1|1,0,1]=4 3795 B12R1.4 CCc1ccc(cc1)NC(=O)C 11a_100000211069_100015343762 [1,0,0,0,0,1|0,0,0]=2 3796 B12R1.4 CCc1ccc(cc1)NC(=O)C 1626a_100000211069_100015343762 [1,0,0,0,0,1|0,0,0]=2 3797 B12R1.4 CCc1ccc(cc1)NC(=O)C 22a_100000211069_100000070787 [1,0,0,0,0,1|0,0,0]=2 3798 B12R1.4 CCc1ccc(cc1)NC(=O)C 527a_100000211069_100103153847 [1,0,0,0,0,1|0,0,0]=2 3799 B12R1.4 CCc1ccc(cc1)NC(C)C 2230a_100000211069_100000210206 [1,0,0,0,0,1|0,0,1]=3 3800 B12R1.4 CCc1ccc(cc1)NC(C)C 34a_100000211069_100000210206 [1,0,0,0,0,1|0,0,1]=3 3801 B12R1.4 CCc1ccc(cc1)OC(C)C 34a_100000211359_100000210206 [1,0,0,0,0,1|0,0,1]=3 3802 B12R1.4 CCc1ccc(cc1)OC(C)C 7a_100000211359_100000210206 [1,0,0,0,0,1|0,0,1]=3 3803 B12R1.4 CCc1ccc(cc1)SC(C)C 62a_100000210206_100011215824 [1,0,0,0,0,1|0,0,1]=3 3804 B12R1.4 CCc1ccc(cc1)SC(C)C 62a_100011215824_100000210206 [1,0,0,0,0,1|0,0,1]=3 3805 B12R1.4 CCc1ccc(cn1)C=C(C)C 271570a_100102525489_100009820025 [1,0,0,0,0,1|2,0,0]=4 3806 B12R1.4 CCc1ccc(cn1)SC(C)C 62a_100000210206_100009820025 [1,0,0,0,0,1|1,0,1]=4 3807 B12R1.4 CCc1ccc(cn1)SC(C)C 62a_100009820025_100000210206 [1,0,0,0,0,1|1,0,1]=4 3808 B12R1.4 CCc1ccc(nc1)C=C(C)C 271570a_100102525489_100009843584 [1,0,0,0,0,1|2,0,0]=4 3809 B12R1.4 CCc1ccc(nc1)SC(C)C 62a_100000210206_100009843584 [1,0,0,0,0,1|1,0,1]=4 3810 B12R1.4 CCc1ccc(nc1)SC(C)C 62a_100009843584_100000210206 [1,0,0,0,0,1|1,0,1]=4 3811 B12R1.4 CN(C)Cc1ccc(cc1)C=O 2230a_100102631434_100009816848 [1,0,0,0,0,1|1,0,0]=3 3812 B12R1.4 CN(C)Cc1ccc(cc1)C=O 269982a_100102631434_100009816848 [1,0,0,0,0,1|1,0,0]=3 3813 B12R1.4 CN(C)Cc1ccc(cc1)S[13CH3] 62a_100000174694_200025704644 [1,0,0,0,0,1|2,0,0]=4 3814 B12R1.4 CN(C)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000174694 [1,0,0,0,0,1|2,0,0]=4 3815 B12R1.4 CNc1ccc(cc1)C=C(C)C 271570a_100102525489_100000219623 [1,0,0,0,0,1|1,0,1]=4 3816 B12R1.4 CNc1ccc(cc1)CC(=O)N 2230a_100000738315_200000210301 [1,0,0,0,0,1|2,0,0]=4 3817 B12R1.4 CNc1ccc(cc1)CC(=O)N 34a_100000738315_200000210301 [1,0,0,0,0,1|2,0,0]=4 3818 B12R1.4 CNc1ccc(cc1)CC(C)C 2230a_100000687309_200000210301 [1,0,0,0,0,1|1,0,0]=3 3819 B12R1.4 CNc1ccc(cc1)CC(C)C 34a_100000687309_200000210301 [1,0,0,0,0,1|1,0,0]=3 3820 B12R1.4 CNc1ccc(cc1)NC(=O)C 34a_100000184111_200000210301 [1,0,0,0,0,1|1,0,0]=3 3821 B12R1.4 CNc1ccc(cc1)OC(C)C 2230a_100011194259_200000210301 [1,0,0,0,0,1|1,0,0]=3 3822 B12R1.4 CNc1ccc(cc1)OC(C)C 34a_100000182112_100000210206 [1,0,0,0,0,1|1,0,0]=3 3823 B12R1.4 CNc1ccc(cc1)OC(C)C 34a_100011194259_200000210301 [1,0,0,0,0,1|1,0,0]=3 3824 B12R1.4 CNc1ccc(cc1)SC(C)C 62a_100000210206_100000743151 [1,0,0,0,0,1|1,0,0]=3 3825 B12R1.4 CNc1ccc(cc1)SC(C)C 62a_100000743151_100000210206 [1,0,0,0,0,1|1,0,0]=3 3826 B12R1.4 CNc1ccc(cn1)SC(C)C 62a_100000210206_100000741341 [1,0,0,0,0,1|2,0,0]=4 3827 B12R1.4 CNc1ccc(cn1)SC(C)C 62a_100000741341_100000210206 [1,0,0,0,0,1|2,0,0]=4 3828 B12R1.4 CNc1ccc(nc1)SC(C)C 62a_100000210206_100000764248 [1,0,0,0,0,1|2,0,0]=4 3829 B12R1.4 CNc1ccc(nc1)SC(C)C 62a_100000764248_100000210206 [1,0,0,0,0,1|2,0,0]=4 3830 B12R1.4 COc1ccc(cc1)C=C(C)C 271570a_100102525489_100000171711 [1,0,0,0,0,1|1,0,1]=4 3831 B12R1.4 COc1ccc(cc1)CC(=O)C 1458a_100000210706_200000210301 [1,0,0,0,0,1|1,0,0]=3 3832 B12R1.4 COc1ccc(cc1)CC(=O)C 34a_100011218180_200000210301 [1,0,0,0,0,1|1,0,0]=3 3833 B12R1.4 COc1ccc(cc1)CC(=O)C 7a_100011218180_200000210301 [1,0,0,0,0,1|1,0,0]=3 3834 B12R1.4 COc1ccc(cc1)CC(=O)N 34a_100000020825_200000210301 [1,0,0,0,0,1|2,0,0]=4 3835 B12R1.4 COc1ccc(cc1)CC(=O)[13CH3] 1458a_100000210706_200025704644 [1,0,0,0,0,1|1,0,0]=3 3836 B12R1.4 COc1ccc(cc1)CC(C)N 34a_100102634573_200000210301 [1,0,0,0,0,1|2,0,0]=4 3837 B12R1.4 COc1ccc(cc1)CN(C)C 2230a_100000184145_200000210301 [1,0,0,0,0,1|2,0,0]=4 3838 B12R1.4 COc1ccc(cc1)CN(C)C 2230a_100102631434_100000742318 [1,0,0,0,0,1|2,0,0]=4 3839 B12R1.4 COc1ccc(cc1)CN(C)C 269982a_100000184145_200000210301 [1,0,0,0,0,1|2,0,0]=4 3840 B12R1.4 COc1ccc(cc1)CN(C)C 269982a_100102631434_100000742318 [1,0,0,0,0,1|2,0,0]=4 3841 B12R1.4 COc1ccc(cc1)CN(C)C 270004a_100102631434_100000169835 [1,0,0,0,0,1|2,0,0]=4 3842 B12R1.4 COc1ccc(cc1)CN(C)[13CH3] 2230a_100000184145_200025704644 [1,0,0,0,0,1|2,0,0]=4 3843 B12R1.4 COc1ccc(cc1)CN(C)[13CH3] 269982a_100000184145_200025704644 [1,0,0,0,0,1|2,0,0]=4 3844 B12R1.4 COc1ccc(cc1)NC(=O)C 11a_100000184247_100015343762 [1,0,0,0,0,1|1,0,0]=3 3845 B12R1.4 COc1ccc(cc1)NC(=O)C 1626a_100000184247_100015343762 [1,0,0,0,0,1|1,0,0]=3 3846 B12R1.4 COc1ccc(cc1)NC(=O)C 22a_100000184247_100000070787 [1,0,0,0,0,1|1,0,0]=3 3847 B12R1.4 COc1ccc(cc1)NC(=O)C 34a_100000184395_200000210301 [1,0,0,0,0,1|1,0,0]=3 3848 B12R1.4 COc1ccc(cc1)NC(=O)C 527a_100000184247_100103153847 [1,0,0,0,0,1|1,0,0]=3 3849 B12R1.4 COc1ccc(cc1)NC(=O)C 7a_100000184395_200000210301 [1,0,0,0,0,1|1,0,0]=3 3850 B12R1.4 COc1ccc(cc1)NC(C)C 34a_100000184247_100000210206 [1,0,0,0,0,1|1,0,0]=3 3851 B12R1.4 COc1ccc(cc1)OC(C)C 34a_100000210503_100000210206 [1,0,0,0,0,1|1,0,0]=3 3852 B12R1.4 COc1ccc(cc1)OC(C)C 34a_100000757185_200000210301 [1,0,0,0,0,1|1,0,0]=3 3853 B12R1.4 COc1ccc(cc1)OC(C)C 7a_100000757185_200000210301 [1,0,0,0,0,1|1,0,0]=3 3854 B12R1.4 COc1ccc(cc1)SC(C)C 62a_100000210206_100000171711 [1,0,0,0,0,1|1,0,0]=3 3855 B12R1.4 COc1ccc(cn1)CC(=O)C 1458a_100000070787_100020631284 [1,0,0,0,0,1|2,0,0]=4 3856 B12R1.4 COc1ccc(cn1)CC(=O)C 1458a_100012001117_200000210301 [1,0,0,0,0,1|2,0,0]=4 3857 B12R1.4 COc1ccc(cn1)CC(=O)[13CH3] 1458a_100012001117_200025704644 [1,0,0,0,0,1|2,0,0]=4 3858 B12R1.4 COc1ccc(cn1)OC(C)C 34a_100011934560_100000210206 [1,0,0,0,0,1|2,0,0]=4 3859 B12R1.4 COc1ccc(cn1)SC(C)C 62a_100000047065_100000210206 [1,0,0,0,0,1|2,0,0]=4 3860 B12R1.4 COc1ccc(cn1)SC(C)C 62a_100000210206_100000047065 [1,0,0,0,0,1|2,0,0]=4 3861 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000070787_200000757186 [1,0,0,0,0,1|2,0,0]=4 3862 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000722272_200000210301 [1,0,0,0,0,1|2,0,0]=4 3863 B12R1.4 COc1ccc(nc1)CC(=O)[13CH3] 1458a_100000722272_200025704644 [1,0,0,0,0,1|2,0,0]=4 3864 B12R1.4 COc1ccc(nc1)NC(=O)C 34a_200000094647_200000210301 [1,0,0,0,0,1|2,0,0]=4 3865 B12R1.4 COc1ccc(nc1)NC(=O)C 7a_200000094647_200000210301 [1,0,0,0,0,1|2,0,0]=4 3866 B12R1.4 COc1ccc(nc1)OC(C)C 34a_100009858630_200000210301 [1,0,0,0,0,1|2,0,0]=4 3867 B12R1.4 COc1ccc(nc1)OC(C)C 34a_100012002028_100000210206 [1,0,0,0,0,1|2,0,0]=4 3868 B12R1.4 COc1ccc(nc1)SC(C)C 62a_100000210206_100000744180 [1,0,0,0,0,1|2,0,0]=4 3869 B12R1.4 COc1ccc(nc1)SC(C)C 62a_100000755202_100000210206 [1,0,0,0,0,1|2,0,0]=4 3870 B12R1.4 CSc1ccc(cc1)C=C(C)C 271570a_100102525489_100011263217 [1,0,0,0,0,1|1,0,1]=4 3871 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000070787_100000181263 [1,0,0,0,0,1|1,0,0]=3 3872 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000756958_200000210301 [1,0,0,0,0,1|1,0,0]=3 3873 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_100000691760_200000210301 [1,0,0,0,0,1|1,0,0]=3 3874 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_200000210301_100000691760 [1,0,0,0,0,1|1,0,0]=3 3875 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_100000162331_200000210301 [1,0,0,0,0,1|2,0,0]=4 3876 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_200000210301_100000162331 [1,0,0,0,0,1|2,0,0]=4 3877 B12R1.4 CSc1ccc(cc1)CC(=O)[13CH3] 1458a_100000756958_200025704644 [1,0,0,0,0,1|1,0,0]=3 3878 B12R1.4 CSc1ccc(cc1)CC(C)C 62a_100011221366_200000210301 [1,0,0,0,0,1|1,0,0]=3 3879 B12R1.4 CSc1ccc(cc1)CC(C)C 62a_200000210301_100011221366 [1,0,0,0,0,1|1,0,0]=3 3880 B12R1.4 CSc1ccc(cc1)CN(C)C 2230a_100102631434_100000181263 [1,0,0,0,0,1|2,0,0]=4 3881 B12R1.4 CSc1ccc(cc1)CN(C)C 2230a_102495365258_200000210301 [1,0,0,0,0,1|2,0,0]=4 3882 B12R1.4 CSc1ccc(cc1)CN(C)C 269982a_100102631434_100011934452 [1,0,0,0,0,1|2,0,0]=4 3883 B12R1.4 CSc1ccc(cc1)CN(C)C 269982a_102495365258_200000210301 [1,0,0,0,0,1|2,0,0]=4 3884 B12R1.4 CSc1ccc(cc1)CN(C)C 270004a_100102631434_100000211154 [1,0,0,0,0,1|2,0,0]=4 3885 B12R1.4 CSc1ccc(cc1)CN(C)C 62a_100000174694_200000210301 [1,0,0,0,0,1|2,0,0]=4 3886 B12R1.4 CSc1ccc(cc1)CN(C)C 62a_200000210301_100000174694 [1,0,0,0,0,1|2,0,0]=4 3887 B12R1.4 CSc1ccc(cc1)CN(C)[13CH3] 2230a_102495365258_200025704644 [1,0,0,0,0,1|2,0,0]=4 3888 B12R1.4 CSc1ccc(cc1)CN(C)[13CH3] 269982a_102495365258_200025704644 [1,0,0,0,0,1|2,0,0]=4 3889 B12R1.4 CSc1ccc(cc1)NC(=O)C 11a_100000212337_100015343762 [1,0,0,0,0,1|1,0,0]=3 3890 B12R1.4 CSc1ccc(cc1)NC(=O)C 22a_100000212337_100000070787 [1,0,0,0,0,1|1,0,0]=3 3891 B12R1.4 CSc1ccc(cc1)NC(=O)C 527a_100000212337_100103153847 [1,0,0,0,0,1|1,0,0]=3 3892 B12R1.4 CSc1ccc(cc1)NC(=O)C 62a_200000210301_100000155215 [1,0,0,0,0,1|1,0,0]=3 3893 B12R1.4 CSc1ccc(cc1)NC(=O)N 62a_200000210301_100000198584 [1,0,0,0,0,1|2,0,0]=4 3894 B12R1.4 CSc1ccc(cc1)NC(C)C 34a_100000212337_100000210206 [1,0,0,0,0,1|1,0,0]=3 3895 B12R1.4 CSc1ccc(cc1)NC(C)C 62a_100000219625_200000210301 [1,0,0,0,0,1|1,0,0]=3 3896 B12R1.4 CSc1ccc(cc1)NC(C)C 62a_200000210301_100000219625 [1,0,0,0,0,1|1,0,0]=3 3897 B12R1.4 CSc1ccc(cc1)OC(=O)C 62a_200000210301_100000002173 [1,0,0,0,0,1|1,0,0]=3 3898 B12R1.4 CSc1ccc(cc1)OC(=S)C 62a_200000210301_200009816735 [1,0,0,0,0,1|1,1,0]=4 3899 B12R1.4 CSc1ccc(cc1)OC(C)C 34a_100000211864_100000210206 [1,0,0,0,0,1|1,0,0]=3 3900 B12R1.4 CSc1ccc(cc1)OC(C)C 62a_100000169947_200000210301 [1,0,0,0,0,1|1,0,0]=3 3901 B12R1.4 CSc1ccc(cc1)OC(C)C 62a_200000210301_100000169947 [1,0,0,0,0,1|1,0,0]=3 3902 B12R1.4 CSc1ccc(cc1)SC(=O)C 62a_200009995050_200000210301 [1,0,0,0,0,1|1,0,0]=3 3903 B12R1.4 CSc1ccc(cc1)SC(C)C 62a_100000210206_100011263217 [1,0,0,0,0,1|1,0,0]=3 3904 B12R1.4 CSc1ccc(cc1)SC(C)C 62a_100009811894_200000210301 [1,0,0,0,0,1|1,0,0]=3 3905 B12R1.4 CSc1ccc(cc1)SC(C)C 62a_100011263217_100000210206 [1,0,0,0,0,1|1,0,0]=3 3906 B12R1.4 CSc1ccc(cc1)SC(C)C 62a_200000210301_100009811894 [1,0,0,0,0,1|1,0,0]=3 3907 B12R1.4 CSc1ccc(cn1)NC(=O)C 62a_200000210301_100011934715 [1,0,0,0,0,1|2,0,0]=4 3908 B12R1.4 CSc1ccc(cn1)OC(C)C 62a_100012354243_200000210301 [1,0,0,0,0,1|2,0,0]=4 3909 B12R1.4 CSc1ccc(cn1)OC(C)C 62a_200000210301_100012354243 [1,0,0,0,0,1|2,0,0]=4 3910 B12R1.4 CSc1ccc(cn1)SC(C)C 62a_100000210206_100011408404 [1,0,0,0,0,1|2,0,0]=4 3911 B12R1.4 CSc1ccc(cn1)SC(C)C 62a_100011408404_100000210206 [1,0,0,0,0,1|2,0,0]=4 3912 B12R1.4 CSc1ccc(nc1)NC(=O)C 62a_200000210301_100000193312 [1,0,0,0,0,1|2,0,0]=4 3913 B12R1.4 CSc1ccc(nc1)NC(C)C 27a_100138425928_100009820866 [1,0,0,0,0,1|2,0,0]=4 3914 B12R1.4 CSc1ccc(nc1)OC(C)C 62a_100000688564_200000210301 [1,0,0,0,0,1|2,0,0]=4 3915 B12R1.4 CSc1ccc(nc1)OC(C)C 62a_200000210301_100000688564 [1,0,0,0,0,1|2,0,0]=4 3916 B12R1.4 CSc1ccc(nc1)SC(C)C 62a_100000210206_100009820866 [1,0,0,0,0,1|2,0,0]=4 3917 B12R1.4 CSc1ccc(nc1)SC(C)C 62a_100009820866_100000210206 [1,0,0,0,0,1|2,0,0]=4 3918 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200025704644 [1,0,0,0,0,1|1,0,1]=4 3919 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)CO 1458a_100011356463_200025704644 [1,0,0,0,0,1|1,0,0]=3 3920 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 2230a_100000738315_200025704644 [1,0,0,0,0,1|2,0,0]=4 3921 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 34a_100000738315_200025704644 [1,0,0,0,0,1|2,0,0]=4 3922 B12R1.4 [13CH3]Oc1ccc(cc1)CC(=O)N 34a_100000020825_200025704644 [1,0,0,0,0,1|2,0,0]=4 3923 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_100000162331_200025704644 [1,0,0,0,0,1|2,0,0]=4 3924 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_200025704644_100000162331 [1,0,0,0,0,1|2,0,0]=4 3925 B12R1.4 [13CH3]Sc1ccc(cc1)NC(=O)N 62a_200025704644_100000198584 [1,0,0,0,0,1|2,0,0]=4 3926 B12R1.258 C=C(C)c1cc(ccn1)C(=O)C 271570a_100000694244_100000685609 [0,0,0,0,1,1|0,0,2]=4 3927 B12R1.258 C=C(C)c1cc(ccn1)C(C)C 271570a_100000694244_100010237925 [0,0,0,0,1,1|1,0,0]=3 3928 B12R1.258 C=C(C)c1cc(ccn1)N(C)C 271570a_100000694244_100000766659 [0,0,0,0,1,1|2,0,0]=4 3929 B12R1.258 C=C(C)c1cccc(c1)C(=O)C 271570a_100000694244_100000210093 [0,0,0,0,1,1|0,0,2]=4 3930 B12R1.258 C=C(C)c1cccc(c1)C(C)C 271570a_100000694244_100011214899 [0,0,0,0,1,1|1,0,0]=3 3931 B12R1.258 C=C(C)c1cccc(c1)C(C)N 271570a_100000694244_100020642005 [0,0,0,0,1,1|2,0,0]=4 3932 B12R1.258 C=C(C)c1cccc(c1)C(C)O 271570a_100000694244_100000246457 [0,0,0,0,1,1|2,0,0]=4 3933 B12R1.258 C=C(C)c1cccc(c1)N(C)C 271570a_100000694244_100011215952 [0,0,0,0,1,1|2,0,0]=4 3934 B12R1.258 C=C(C)c1cccc(n1)C(C)C 271570a_100000694244_100012318657 [0,0,0,0,1,1|2,0,0]=4 3935 B12R1.258 C=C(C)c1ccnc(c1)C(=O)C 271570a_100000694244_100000709912 [0,0,0,0,1,1|0,0,2]=4 3936 B12R1.258 C=C(C)c1ccnc(c1)C(C)C 271570a_100000694244_100010237922 [0,0,0,0,1,1|1,0,0]=3 3937 B12R1.258 C=C(C)c1ccnc(c1)C(C)O 271570a_100000694244_100000144657 [0,0,0,0,1,1|2,0,0]=4 3938 B12R1.258 C=C(C)c1ccnc(c1)N(C)C 271570a_100000694244_100012361627 [0,0,0,0,1,1|2,0,0]=4 3939 B12R1.258 C=C(C)c1ccnc(n1)C(C)C 271570a_100000694244_100000752938 [0,0,0,0,1,1|2,0,0]=4 3940 B12R1.258 C=C(C)c1cncc(c1)C(=O)C 271570a_100000694244_100011216243 [0,0,0,0,1,1|0,0,2]=4 3941 B12R1.258 C=C(C)c1cncc(c1)C(C)C 271570a_100000694244_200010191214 [0,0,0,0,1,1|1,0,0]=3 3942 B12R1.258 C=C(C)c1cncc(c1)C(C)O 271570a_100000694244_100012351597 [0,0,0,0,1,1|2,0,0]=4 3943 B12R1.258 C=C(C)c1cncc(c1)N(C)C 271570a_100000694244_100012350714 [0,0,0,0,1,1|2,0,0]=4 3944 B12R1.258 C=C(C)c1cncc(c1)[C@@H](C)N 271570a_100000694244_100012350620 [0,0,0,0,1,1|2,0,0]=4 3945 B12R1.258 C=C(C)c1cncc(n1)C(C)C 271570a_100000694244_100012056704 [0,0,0,0,1,1|2,0,0]=4 3946 B12R1.258 C=C(C)c1nccc(n1)C(C)C 271570a_100000694244_100011935126 [0,0,0,0,1,1|2,0,0]=4 3947 B12R1.258 CC(=O)c1cc(ccn1)C(F)F 1458a_100009881524_200000210301 [0,0,0,0,1,1|2,0,0]=4 3948 B12R1.258 CC(=O)c1cccc(c1)C(C)C 1458a_100011934808_200000210301 [0,0,0,0,1,1|0,0,0]=2 3949 B12R1.258 CC(=O)c1cccc(c1)C(C)O 1458a_100000090953_200000210301 [0,0,0,0,1,1|1,0,0]=3 3950 B12R1.258 CC(=O)c1cccc(c1)C(F)F 1458a_100000752119_200000210301 [0,0,0,0,1,1|2,0,0]=4 3951 B12R1.258 CC(=O)c1cccc(c1)N(C)C 1458a_100000210872_200000210301 [0,0,0,0,1,1|1,0,0]=3 3952 B12R1.258 CC(=O)c1cccc(n1)N(C)C 27a_100102631434_100000085735 [0,0,0,0,1,1|2,0,0]=4 3953 B12R1.258 CC(=O)c1ccnc(n1)N(C)C 27a_100102631434_100010643186 [0,0,0,0,1,1|2,0,0]=4 3954 B12R1.258 CC(C)c1cc(ccn1)N(C)C 27a_100102631434_100010237922 [0,0,0,0,1,1|2,0,0]=4 3955 B12R1.258 CC(C)c1cccc(c1)C(=O)[13CH3] 1458a_100011934808_200025704644 [0,0,0,0,1,1|0,0,0]=2 3956 B12R1.258 CC(C)c1ccnc(c1)N(C)C 27a_100102631434_100010237925 [0,0,0,0,1,1|2,0,0]=4 3957 B12R1.258 CC(O)c1cccc(c1)C(=O)[13CH3] 1458a_100000090953_200025704644 [0,0,0,0,1,1|1,0,0]=3 3958 B12R1.258 CN(C)c1cccc(c1)C(=O)[13CH3] 1458a_100000210872_200025704644 [0,0,0,0,1,1|1,0,0]=3 3959 B12R1.258 CN(C)c1ccnc(c1)C(=O)N 27a_100102631434_100000229564 [0,0,0,0,1,1|2,0,0]=4 3960 B12R1.258 [13CH3]C(=O)c1cc(ccn1)C(F)F 1458a_100009881524_200025704644 [0,0,0,0,1,1|2,0,0]=4 3961 B12R1.258 [13CH3]C(=O)c1cccc(c1)C(F)F 1458a_100000752119_200025704644 [0,0,0,0,1,1|2,0,0]=4 3962 B14R1.419 C=C(C)CNc1ccc(cc1)C(C)C 2230a_100000210773_100000748629 [0,0,0,0,0,2|1,0,0]=3 3963 B14R1.419 C=C(C)CNc1ccc(cc1)C(C)C 34a_100000210773_100000748629 [0,0,0,0,0,2|1,0,0]=3 3964 B14R1.419 C=C(C)CNc1ccc(cc1)C(C)C 7a_100000210773_100000748629 [0,0,0,0,0,2|1,0,0]=3 3965 B14R1.419 C=C(C)CNc1ccc(cc1)C(C)O 2230a_100011216399_100000748629 [0,0,0,0,0,2|2,0,0]=4 3966 B14R1.419 C=C(C)CNc1ccc(cc1)C(C)O 34a_100011216399_100000748629 [0,0,0,0,0,2|2,0,0]=4 3967 B14R1.419 C=C(C)CNc1ccc(cc1)N(C)C 34a_100016997997_100000748629 [0,0,0,0,0,2|2,0,0]=4 3968 B14R1.419 C=C(C)COc1ccc(cc1)C(=O)C 34a_100000185113_100000748629 [0,0,0,0,0,2|0,0,2]=4 3969 B14R1.419 C=C(C)COc1ccc(cc1)C(=O)C 7a_100000185113_100000748629 [0,0,0,0,0,2|0,0,2]=4 3970 B14R1.419 C=C(C)COc1ccc(cc1)C(C)C 34a_100000181308_100000748629 [0,0,0,0,0,2|1,0,0]=3 3971 B14R1.419 C=C(C)COc1ccc(cc1)C(C)C 7a_100000181308_100000748629 [0,0,0,0,0,2|1,0,0]=3 3972 B14R1.419 C=C(C)COc1ccc(cc1)C(C)O 34a_100000754508_100000748629 [0,0,0,0,0,2|2,0,0]=4 3973 B14R1.419 C=C(C)COc1ccc(cc1)C(C)O 7a_100000754508_100000748629 [0,0,0,0,0,2|2,0,0]=4 3974 B14R1.419 C=C(C)COc1ccc(cc1)N(C)C 34a_100000718910_100000748629 [0,0,0,0,0,2|2,0,0]=4 3975 B14R1.419 C=C(C)COc1ccc(cc1)[C@H](C)N 34a_100161106496_100000748629 [0,0,0,0,0,2|2,0,0]=4 3976 B14R1.419 C=C(C)COc1ccc(cc1)[S+](C)C 34a_100010188728_100000748629 [0,0,0,0,0,2|2,0,0]=4 3977 B14R1.419 C=C(C)COc1ccc(cc1)[S+](C)C 7a_100010188728_100000748629 [0,0,0,0,0,2|2,0,0]=4 3978 B14R1.419 C=C(C)CSc1ccc(cc1)C(=O)C 62a_100000185465_100000211660 [0,0,0,0,0,2|0,0,2]=4 3979 B14R1.419 C=C(C)CSc1ccc(cc1)C(=O)C 62a_100000748629_100000185465 [0,0,0,0,0,2|0,0,2]=4 3980 B14R1.419 C=C(C)CSc1ccc(cc1)C(C)C 62a_100000748629_100000750031 [0,0,0,0,0,2|1,0,0]=3 3981 B14R1.419 C=C(C)CSc1ccc(cc1)C(C)C 62a_100000750031_100000211660 [0,0,0,0,0,2|1,0,0]=3 3982 B14R1.419 C=C(C)CSc1ccc(cc1)C(C)O 62a_100000745893_100000211660 [0,0,0,0,0,2|2,0,0]=4 3983 B14R1.419 C=C(C)CSc1ccc(cc1)C(C)O 62a_100000748629_100000745893 [0,0,0,0,0,2|2,0,0]=4 3984 B14R1.419 C=C(C)CSc1ccc(cc1)N(C)C 62a_100000210421_100000211660 [0,0,0,0,0,2|2,0,0]=4 3985 B14R1.419 C=C(C)CSc1ccc(cc1)N(C)C 62a_100000748629_100000210421 [0,0,0,0,0,2|2,0,0]=4 3986 B14R1.419 C=C(C)CSc1ccc(cc1)[C@@H](C)N 62a_100000720352_100000211660 [0,0,0,0,0,2|2,0,0]=4 3987 B14R1.419 C=C(C)CSc1ccc(cc1)[C@@H](C)N 62a_100000748629_100000720352 [0,0,0,0,0,2|2,0,0]=4 3988 B14R1.419 C=C(C)CSc1ccc(cc1)[C@H](C)N 62a_100000748629_100000753911 [0,0,0,0,0,2|2,0,0]=4 3989 B14R1.419 C=C(C)CSc1ccc(cc1)[C@H](C)N 62a_100000753911_100000211660 [0,0,0,0,0,2|2,0,0]=4 3990 B14R1.419 C=C(C)CSc1ccc(cn1)C(C)C 62a_100000748629_200009815286 [0,0,0,0,0,2|2,0,0]=4 3991 B14R1.419 C=C(C)CSc1ccc(cn1)C(C)C 62a_200009815286_100000211660 [0,0,0,0,0,2|2,0,0]=4 3992 B14R1.419 C=C(C)CSc1ccc(nc1)C(C)C 62a_100000748629_100010255768 [0,0,0,0,0,2|2,0,0]=4 3993 B14R1.419 C=C(C)CSc1ccc(nc1)C(C)C 62a_100010255768_100000211660 [0,0,0,0,0,2|2,0,0]=4 3994 B14R1.419 C=C(C)c1ccc(cc1)/C=C/C(=O)C 271570a_100000694244_200016259395 [0,0,0,0,0,2|0,0,2]=4 3995 B14R1.419 C=C(C)c1ccc(cc1)C=CC(C)C 271570a_100016257149_100000185454 [0,0,0,0,0,2|1,0,0]=3 3996 B14R1.419 C=C(C)c1ccc(cc1)C=CC(C)O 271570a_200011019289_100000185454 [0,0,0,0,0,2|2,0,0]=4 3997 B14R1.419 C=C(C)c1ccc(cc1)CCC(=O)C 271570a_100000694244_100000723691 [0,0,0,0,0,2|0,0,2]=4 3998 B14R1.419 C=C(C)c1ccc(cc1)CNC(=O)C 271570a_100000694244_200000685173 [0,0,0,0,0,2|0,0,2]=4 3999 B14R1.419 C=C(C)c1ccc(cc1)CNC(C)C 271570a_100000694244_100000195760 [0,0,0,0,0,2|1,0,0]=3 4000 B14R1.419 C=C(C)c1ccc(cc1)COC(C)C 271570a_100000694244_100000758563 [0,0,0,0,0,2|1,0,0]=3 4001 B14R1.419 C=C(C)c1ccc(cc1)CSC(C)C 271570a_100000694244_100000173087 [0,0,0,0,0,2|1,0,0]=3 4002 B14R1.419 C=C(C)c1ccc(cc1)NCC(C)C 271570a_100000694244_200011231703 [0,0,0,0,0,2|1,0,0]=3 4003 B14R1.419 C=C(C)c1ccc(cc1)NNC(=O)C 271570a_100000694244_200009815283 [0,0,0,0,0,2|0,0,2]=4 4004 B14R1.419 C=C(C)c1ccc(cc1)OCC(C)C 271570a_100000694244_200000169949 [0,0,0,0,0,2|1,0,0]=3 4005 B14R1.419 C=C(C)c1ccc(cc1)OCC(C)C 34a_100009880102_100000210624 [0,0,0,0,0,2|1,0,0]=3 4006 B14R1.419 C=C(C)c1ccc(cc1)OCC(C)C 7a_100009880102_100000210760 [0,0,0,0,0,2|1,0,0]=3 4007 B14R1.419 C=C(C)c1ccc(cc1)OCC(C)O 34a_100009880102_100011218427 [0,0,0,0,0,2|2,0,0]=4 4008 B14R1.419 C=C(C)c1ccc(cc1)OCC(C)O 7a_100009880102_100011218427 [0,0,0,0,0,2|2,0,0]=4 4009 B14R1.419 C=C(C)c1ccc(cc1)OC[C@@H](C)O 34a_100009880102_100009817552 [0,0,0,0,0,2|2,0,0]=4 4010 B14R1.419 C=C(C)c1ccc(cc1)OC[C@@H](C)O 7a_100009880102_100009817552 [0,0,0,0,0,2|2,0,0]=4 4011 B14R1.419 C=C(C)c1ccc(cc1)SCC(C)C 62a_100000185454_100000210760 [0,0,0,0,0,2|1,0,0]=3 4012 B14R1.419 C=C(C)c1ccc(cc1)SCC(C)C 62a_100000210624_100000185454 [0,0,0,0,0,2|1,0,0]=3 4013 B14R1.419 C=C(C)c1ccc(cc1)SCC(C)O 62a_100000185454_100011218427 [0,0,0,0,0,2|2,0,0]=4 4014 B14R1.419 C=C(C)c1ccc(cc1)SCC(C)O 62a_100011218427_100000185454 [0,0,0,0,0,2|2,0,0]=4 4015 B14R1.419 C=C(C)c1ccc(cc1)SC[C@@H](C)O 62a_100000185454_100009817552 [0,0,0,0,0,2|2,0,0]=4 4016 B14R1.419 C=C(C)c1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100000185454 [0,0,0,0,0,2|2,0,0]=4 4017 B14R1.419 C=C(C)c1ccc(cn1)CNC(C)C 271570a_100000694244_100016992178 [0,0,0,0,0,2|2,0,0]=4 4018 B14R1.419 C=C(F)CNc1ccc(cc1)C(C)C 2230a_100000210773_100009893438 [0,0,0,0,0,2|1,0,1]=4 4019 B14R1.419 C=C(F)CNc1ccc(cc1)C(C)C 34a_100000210773_100009893438 [0,0,0,0,0,2|1,0,1]=4 4020 B14R1.419 C=C(F)CNc1ccc(cc1)C(C)C 7a_100000210773_100000042424 [0,0,0,0,0,2|1,0,1]=4 4021 B14R1.419 C=C(F)COc1ccc(cc1)C(C)C 34a_100000181308_100009893438 [0,0,0,0,0,2|1,0,1]=4 4022 B14R1.419 C=C(F)COc1ccc(cc1)C(C)C 7a_100000181308_100000042424 [0,0,0,0,0,2|1,0,1]=4 4023 B14R1.419 C=C(F)CSc1ccc(cc1)C(C)C 62a_100000042424_100000750031 [0,0,0,0,0,2|1,0,1]=4 4024 B14R1.419 C=C(F)CSc1ccc(cc1)C(C)C 62a_100000750031_100000042424 [0,0,0,0,0,2|1,0,1]=4 4025 B14R1.419 CC(=O)C=Cc1ccc(cc1)C(C)C 1458a_100000185018_200000210301 [0,0,0,0,0,2|0,0,0]=2 4026 B14R1.419 CC(=O)C=Cc1ccc(cc1)N(C)C 1458a_100016270256_200000210301 [0,0,0,0,0,2|1,0,0]=3 4027 B14R1.419 CC(=O)CCc1ccc(cc1)C(=O)C 1458a_100000070787_200000038727 [0,0,0,0,0,2|1,0,1]=4 4028 B14R1.419 CC(=O)CCc1ccc(cc1)C(C)C 1458a_100000234928_200000210301 [0,0,0,0,0,2|0,0,0]=2 4029 B14R1.419 CC(=O)CCc1ccc(cc1)N(C)C 1458a_100000205957_200000210301 [0,0,0,0,0,2|1,0,0]=3 4030 B14R1.419 CC(=O)COc1ccc(cc1)C(C)C 1458a_100000189144_200000210301 [0,0,0,0,0,2|0,0,0]=2 4031 B14R1.419 CC(=O)CSc1ccc(cc1)C(C)C 1458a_100000740577_200000210301 [0,0,0,0,0,2|0,0,0]=2 4032 B14R1.419 CC(=O)NCc1ccc(cc1)C(=O)C 1458a_100000193300_200000210301 [0,0,0,0,0,2|1,0,1]=4 4033 B14R1.419 CC(=O)NCc1ccc(cc1)C(=O)[13CH3] 1458a_100000193300_200025704644 [0,0,0,0,0,2|1,0,1]=4 4034 B14R1.419 CC(=O)NCc1ccc(cc1)C(C)C 11a_100000174979_100015343762 [0,0,0,0,0,2|0,0,0]=2 4035 B14R1.419 CC(=O)NCc1ccc(cc1)C(C)C 1626a_100000174979_100015343762 [0,0,0,0,0,2|0,0,0]=2 4036 B14R1.419 CC(=O)NCc1ccc(cc1)C(C)C 240690a_100000174979_100015343762 [0,0,0,0,0,2|0,0,0]=2 4037 B14R1.419 CC(=O)NCc1ccc(cc1)C(C)C 527a_100000174979_100103153847 [0,0,0,0,0,2|0,0,0]=2 4038 B14R1.419 CC(=O)NCc1ccc(cc1)C(C)O 240690a_200000048501_100015343762 [0,0,0,0,0,2|1,0,0]=3 4039 B14R1.419 CC(=O)NCc1ccc(cc1)C(C)O 527a_200000048501_100103153847 [0,0,0,0,0,2|1,0,0]=3 4040 B14R1.419 CC(=O)NCc1ccc(cc1)C(F)F 11a_100025706676_100015343762 [0,0,0,0,0,2|2,0,0]=4 4041 B14R1.419 CC(=O)NCc1ccc(cc1)C(F)F 1626a_100025706676_100015343762 [0,0,0,0,0,2|2,0,0]=4 4042 B14R1.419 CC(=O)NCc1ccc(cc1)C(F)F 240690a_100025706676_100015343762 [0,0,0,0,0,2|2,0,0]=4 4043 B14R1.419 CC(=O)NCc1ccc(cc1)C(F)F 527a_100025706676_100103153847 [0,0,0,0,0,2|2,0,0]=4 4044 B14R1.419 CC(=O)NCc1ccc(cc1)N(C)C 11a_100000199032_100015343762 [0,0,0,0,0,2|1,0,0]=3 4045 B14R1.419 CC(=O)NCc1ccc(cc1)N(C)C 1626a_100000199032_100015343762 [0,0,0,0,0,2|1,0,0]=3 4046 B14R1.419 CC(=O)NCc1ccc(cc1)N(C)C 240690a_100000199032_100015343762 [0,0,0,0,0,2|1,0,0]=3 4047 B14R1.419 CC(=O)NCc1ccc(cc1)N(C)C 527a_100000199032_100103153847 [0,0,0,0,0,2|1,0,0]=3 4048 B14R1.419 CC(=O)NCc1ccc(nc1)N(C)C 11a_100000738136_100015343762 [0,0,0,0,0,2|2,0,0]=4 4049 B14R1.419 CC(=O)NCc1ccc(nc1)N(C)C 1626a_100000738136_100015343762 [0,0,0,0,0,2|2,0,0]=4 4050 B14R1.419 CC(=O)NCc1ccc(nc1)N(C)C 240690a_100000738136_100015343762 [0,0,0,0,0,2|2,0,0]=4 4051 B14R1.419 CC(=O)NCc1ccc(nc1)N(C)C 527a_100000738136_100103153847 [0,0,0,0,0,2|2,0,0]=4 4052 B14R1.419 CC(=O)NNc1ccc(cc1)C(C)C 22a_100000005945_100000070787 [0,0,0,0,0,2|0,0,0]=2 4053 B14R1.419 CC(=O)NNc1ccc(cc1)N(C)C 22a_100134618393_100000070787 [0,0,0,0,0,2|1,0,0]=3 4054 B14R1.419 CC(=O)OCc1ccc(cc1)C(=O)C 1458a_100000006716_200000210301 [0,0,0,0,0,2|1,0,1]=4 4055 B14R1.419 CC(=O)OCc1ccc(cc1)C(=O)[13CH3] 1458a_100000006716_200025704644 [0,0,0,0,0,2|1,0,1]=4 4056 B14R1.419 CC(=O)c1ccc(cc1)C=CC(C)C 271570a_100016257149_100000185465 [0,0,0,0,0,2|0,0,0]=2 4057 B14R1.419 CC(=O)c1ccc(cc1)C=CC(C)O 271570a_200011019289_100000185465 [0,0,0,0,0,2|1,0,0]=3 4058 B14R1.419 CC(=O)c1ccc(cc1)CCN(C)C 2230a_100102631434_200000038727 [0,0,0,0,0,2|1,0,0]=3 4059 B14R1.419 CC(=O)c1ccc(cc1)CCN(C)C 269982a_100102631434_200000038727 [0,0,0,0,0,2|1,0,0]=3 4060 B14R1.419 CC(=O)c1ccc(cc1)CNC(C)C 2230a_100138425928_100000756337 [0,0,0,0,0,2|0,0,0]=2 4061 B14R1.419 CC(=O)c1ccc(cc1)CNC(C)C 34a_100138425928_100000756337 [0,0,0,0,0,2|0,0,0]=2 4062 B14R1.419 CC(=O)c1ccc(cc1)COC(C)C 34a_100000212225_100000756337 [0,0,0,0,0,2|0,0,0]=2 4063 B14R1.419 CC(=O)c1ccc(cc1)COC(C)C 7a_100000082505_100000210206 [0,0,0,0,0,2|0,0,0]=2 4064 B14R1.419 CC(=O)c1ccc(cc1)CSC(C)C 62a_100000210206_100000756337 [0,0,0,0,0,2|0,0,0]=2 4065 B14R1.419 CC(=O)c1ccc(cc1)CSC(C)C 62a_100000756337_100000210206 [0,0,0,0,0,2|0,0,0]=2 4066 B14R1.419 CC(=O)c1ccc(cc1)OCC(C)C 1458a_100000182900_200000210301 [0,0,0,0,0,2|0,0,0]=2 4067 B14R1.419 CC(=O)c1ccc(cc1)OCC(C)C 34a_100000185113_100000210624 [0,0,0,0,0,2|0,0,0]=2 4068 B14R1.419 CC(=O)c1ccc(cc1)OCC(C)C 7a_100000185113_100000210760 [0,0,0,0,0,2|0,0,0]=2 4069 B14R1.419 CC(=O)c1ccc(cc1)OCC(C)O 34a_100000185113_100011218427 [0,0,0,0,0,2|1,0,0]=3 4070 B14R1.419 CC(=O)c1ccc(cc1)OCC(C)O 7a_100000185113_100011218427 [0,0,0,0,0,2|1,0,0]=3 4071 B14R1.419 CC(=O)c1ccc(cc1)OCC(F)F 34a_100000185113_100011934356 [0,0,0,0,0,2|2,0,0]=4 4072 B14R1.419 CC(=O)c1ccc(cc1)OCC(F)F 7a_100000185113_100011934356 [0,0,0,0,0,2|2,0,0]=4 4073 B14R1.419 CC(=O)c1ccc(cc1)OC[C@@H](C)O 34a_100000185113_100009817552 [0,0,0,0,0,2|1,0,0]=3 4074 B14R1.419 CC(=O)c1ccc(cc1)OC[C@@H](C)O 7a_100000185113_100009817552 [0,0,0,0,0,2|1,0,0]=3 4075 B14R1.419 CC(=O)c1ccc(cc1)SCC(C)C 62a_100000185465_100000210760 [0,0,0,0,0,2|0,0,0]=2 4076 B14R1.419 CC(=O)c1ccc(cc1)SCC(C)C 62a_100000210624_100000185465 [0,0,0,0,0,2|0,0,0]=2 4077 B14R1.419 CC(=O)c1ccc(cc1)SCC(C)O 62a_100000185465_100011218427 [0,0,0,0,0,2|1,0,0]=3 4078 B14R1.419 CC(=O)c1ccc(cc1)SCC(C)O 62a_100011218427_100000185465 [0,0,0,0,0,2|1,0,0]=3 4079 B14R1.419 CC(=O)c1ccc(cc1)SCC(F)F 62a_100000185465_100011934356 [0,0,0,0,0,2|2,0,0]=4 4080 B14R1.419 CC(=O)c1ccc(cc1)SCC(F)F 62a_100011934356_100000185465 [0,0,0,0,0,2|2,0,0]=4 4081 B14R1.419 CC(=O)c1ccc(cc1)SC[C@@H](C)O 62a_100000185465_100009817552 [0,0,0,0,0,2|1,0,0]=3 4082 B14R1.419 CC(=O)c1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100000185465 [0,0,0,0,0,2|1,0,0]=3 4083 B14R1.419 CC(=O)c1ccc(cn1)C=CC(C)C 271570a_100016257149_100000686046 [0,0,0,0,0,2|1,0,0]=3 4084 B14R1.419 CC(=O)c1ccc(cn1)C=CC(C)O 271570a_200011019289_100000686046 [0,0,0,0,0,2|2,0,0]=4 4085 B14R1.419 CC(=O)c1ccc(cn1)OCC(C)C 34a_100012001710_100000210624 [0,0,0,0,0,2|1,0,0]=3 4086 B14R1.419 CC(=O)c1ccc(cn1)OCC(C)C 7a_100012001710_100000210760 [0,0,0,0,0,2|1,0,0]=3 4087 B14R1.419 CC(=O)c1ccc(cn1)OCC(C)O 34a_100012001710_100011218427 [0,0,0,0,0,2|2,0,0]=4 4088 B14R1.419 CC(=O)c1ccc(cn1)OCC(C)O 7a_100012001710_100011218427 [0,0,0,0,0,2|2,0,0]=4 4089 B14R1.419 CC(=O)c1ccc(cn1)OC[C@@H](C)O 34a_100012001710_100009817552 [0,0,0,0,0,2|2,0,0]=4 4090 B14R1.419 CC(=O)c1ccc(cn1)OC[C@@H](C)O 7a_100012001710_100009817552 [0,0,0,0,0,2|2,0,0]=4 4091 B14R1.419 CC(=O)c1ccc(cn1)SCC(C)C 62a_100000210624_100000686046 [0,0,0,0,0,2|1,0,0]=3 4092 B14R1.419 CC(=O)c1ccc(cn1)SCC(C)C 62a_100000686046_100000210760 [0,0,0,0,0,2|1,0,0]=3 4093 B14R1.419 CC(=O)c1ccc(cn1)SCC(C)O 62a_100000686046_100011218427 [0,0,0,0,0,2|2,0,0]=4 4094 B14R1.419 CC(=O)c1ccc(cn1)SCC(C)O 62a_100011218427_100000686046 [0,0,0,0,0,2|2,0,0]=4 4095 B14R1.419 CC(=O)c1ccc(cn1)SC[C@@H](C)O 62a_100000686046_100009817552 [0,0,0,0,0,2|2,0,0]=4 4096 B14R1.419 CC(=O)c1ccc(cn1)SC[C@@H](C)O 62a_100009817552_100000686046 [0,0,0,0,0,2|2,0,0]=4 4097 B14R1.419 CC(=O)c1ccc(nc1)C=CC(C)C 271570a_100016257149_100000684857 [0,0,0,0,0,2|1,0,0]=3 4098 B14R1.419 CC(=O)c1ccc(nc1)C=CC(C)O 271570a_200011019289_100000684857 [0,0,0,0,0,2|2,0,0]=4 4099 B14R1.419 CC(=O)c1ccc(nc1)NCC(C)C 27a_100000210953_100000690552 [0,0,0,0,0,2|1,0,0]=3 4100 B14R1.419 CC(=O)c1ccc(nc1)NCC(C)O 27a_100000210904_100000690552 [0,0,0,0,0,2|2,0,0]=4 4101 B14R1.419 CC(=O)c1ccc(nc1)SCC(C)C 62a_100000210624_100000684857 [0,0,0,0,0,2|1,0,0]=3 4102 B14R1.419 CC(=O)c1ccc(nc1)SCC(C)C 62a_100000684857_100000210760 [0,0,0,0,0,2|1,0,0]=3 4103 B14R1.419 CC(=O)c1ccc(nc1)SCC(C)O 62a_100000684857_100011218427 [0,0,0,0,0,2|2,0,0]=4 4104 B14R1.419 CC(=O)c1ccc(nc1)SCC(C)O 62a_100011218427_100000684857 [0,0,0,0,0,2|2,0,0]=4 4105 B14R1.419 CC(=O)c1ccc(nc1)SC[C@@H](C)O 62a_100000684857_100009817552 [0,0,0,0,0,2|2,0,0]=4 4106 B14R1.419 CC(=O)c1ccc(nc1)SC[C@@H](C)O 62a_100009817552_100000684857 [0,0,0,0,0,2|2,0,0]=4 4107 B14R1.419 CC(=O)c1cnc(cn1)C=CC(C)C 271570a_100016257149_100009883172 [0,0,0,0,0,2|2,0,0]=4 4108 B14R1.419 CC(=O)c1cnc(cn1)NCC(C)C 27a_100000210953_100009883172 [0,0,0,0,0,2|2,0,0]=4 4109 B14R1.419 CC(=O)c1cnc(cn1)SCC(C)C 62a_100000210624_100009883172 [0,0,0,0,0,2|2,0,0]=4 4110 B14R1.419 CC(=O)c1cnc(cn1)SCC(C)C 62a_100009883172_100000210760 [0,0,0,0,0,2|2,0,0]=4 4111 B14R1.419 CC(=O)c1cnc(nc1)C=CC(C)C 271570a_100016257149_100000099681 [0,0,0,0,0,2|2,0,0]=4 4112 B14R1.419 CC(=O)c1cnc(nc1)NCC(C)C 27a_100000210953_100000099681 [0,0,0,0,0,2|2,0,0]=4 4113 B14R1.419 CC(=O)c1cnc(nc1)SCC(C)C 62a_100000099681_100000210760 [0,0,0,0,0,2|2,0,0]=4 4114 B14R1.419 CC(=O)c1cnc(nc1)SCC(C)C 62a_100000210624_100000099681 [0,0,0,0,0,2|2,0,0]=4 4115 B14R1.419 CC(=O)c1ncc(cn1)C=CC(C)C 271570a_100016257149_100010077182 [0,0,0,0,0,2|2,0,0]=4 4116 B14R1.419 CC(=O)c1ncc(cn1)SCC(C)C 62a_100000210624_100010077182 [0,0,0,0,0,2|2,0,0]=4 4117 B14R1.419 CC(=O)c1ncc(cn1)SCC(C)C 62a_100010077182_100000210760 [0,0,0,0,0,2|2,0,0]=4 4118 B14R1.419 CC(C)C=Cc1ccc(cc1)C(=O)N 271570a_100016257149_100000162191 [0,0,0,0,0,2|1,0,0]=3 4119 B14R1.419 CC(C)C=Cc1ccc(cc1)C(C)C 271570a_100016257149_100000750031 [0,0,0,0,0,2|1,0,1]=4 4120 B14R1.419 CC(C)C=Cc1ccc(cc1)C(C)O 271570a_100016257149_100000745893 [0,0,0,0,0,2|0,0,2]=4 4121 B14R1.419 CC(C)C=Cc1ccc(cc1)N(C)C 271570a_100016257149_100000210421 [0,0,0,0,0,2|2,0,0]=4 4122 B14R1.419 CC(C)C=Cc1ccc(cc1)S(=O)C 271570a_100016257149_100009816266 [0,0,0,0,0,2|1,0,0]=3 4123 B14R1.419 CC(C)C=Cc1ccc(cc1)[C@@H](C)N 271570a_100016257149_100000720352 [0,0,0,0,0,2|1,0,1]=4 4124 B14R1.419 CC(C)C=Cc1ccc(cc1)[C@H](C)N 271570a_100016257149_100000753911 [0,0,0,0,0,2|1,0,1]=4 4125 B14R1.419 CC(C)C=Cc1ccc(cn1)C(=O)N 271570a_100016257149_100000162237 [0,0,0,0,0,2|2,0,0]=4 4126 B14R1.419 CC(C)C=Cc1ccc(nc1)C(=O)N 271570a_100016257149_100011219284 [0,0,0,0,0,2|2,0,0]=4 4127 B14R1.419 CC(C)CNc1ccc(cc1)C(=O)N 27a_100000210953_100000162191 [0,0,0,0,0,2|1,0,0]=3 4128 B14R1.419 CC(C)CNc1ccc(cc1)C(=O)N 34a_100000210537_100000210624 [0,0,0,0,0,2|1,0,0]=3 4129 B14R1.419 CC(C)CNc1ccc(cc1)C(C)C 2230a_100000210773_100000210760 [0,0,0,0,0,2|1,0,1]=4 4130 B14R1.419 CC(C)CNc1ccc(cc1)C(C)C 34a_100000210773_100000210624 [0,0,0,0,0,2|1,0,1]=4 4131 B14R1.419 CC(C)CNc1ccc(cc1)C(C)C 7a_100000210773_100000210760 [0,0,0,0,0,2|1,0,1]=4 4132 B14R1.419 CC(C)CNc1ccc(cc1)C(C)O 2230a_100011216399_100000210760 [0,0,0,0,0,2|0,0,2]=4 4133 B14R1.419 CC(C)CNc1ccc(cc1)C(C)O 34a_100011216399_100000210624 [0,0,0,0,0,2|0,0,2]=4 4134 B14R1.419 CC(C)CNc1ccc(cc1)N(C)C 34a_100016997997_100000210624 [0,0,0,0,0,2|2,0,0]=4 4135 B14R1.419 CC(C)CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000210760 [0,0,0,0,0,2|2,0,0]=4 4136 B14R1.419 CC(C)CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000210624 [0,0,0,0,0,2|2,0,0]=4 4137 B14R1.419 CC(C)CNc1ccc(cn1)C(=O)N 27a_100000210953_100000162237 [0,0,0,0,0,2|2,0,0]=4 4138 B14R1.419 CC(C)COc1ccc(cc1)C(=O)N 34a_100000746352_100000210624 [0,0,0,0,0,2|1,0,0]=3 4139 B14R1.419 CC(C)COc1ccc(cc1)C(=O)N 7a_100000746352_100000210760 [0,0,0,0,0,2|1,0,0]=3 4140 B14R1.419 CC(C)COc1ccc(cc1)C(=O)[13CH3] 1458a_100000182900_200025704644 [0,0,0,0,0,2|0,0,0]=2 4141 B14R1.419 CC(C)COc1ccc(cc1)C(C)C 34a_100000181308_100000210624 [0,0,0,0,0,2|1,0,1]=4 4142 B14R1.419 CC(C)COc1ccc(cc1)C(C)C 7a_100000181308_100000210760 [0,0,0,0,0,2|1,0,1]=4 4143 B14R1.419 CC(C)COc1ccc(cc1)C(C)O 34a_100000754508_100000210624 [0,0,0,0,0,2|0,0,2]=4 4144 B14R1.419 CC(C)COc1ccc(cc1)C(C)O 7a_100000754508_100000210760 [0,0,0,0,0,2|0,0,2]=4 4145 B14R1.419 CC(C)COc1ccc(cc1)N(C)C 27a_100102631434_200000169949 [0,0,0,0,0,2|2,0,0]=4 4146 B14R1.419 CC(C)COc1ccc(cc1)N(C)C 34a_100000718910_100000210624 [0,0,0,0,0,2|2,0,0]=4 4147 B14R1.419 CC(C)COc1ccc(cc1)S(=O)C 34a_200000064373_100000210624 [0,0,0,0,0,2|1,0,0]=3 4148 B14R1.419 CC(C)COc1ccc(cc1)S(=O)C 7a_200000064373_100000210760 [0,0,0,0,0,2|1,0,0]=3 4149 B14R1.419 CC(C)COc1ccc(cc1)[C@H](C)N 34a_100161106496_100000210624 [0,0,0,0,0,2|1,0,1]=4 4150 B14R1.419 CC(C)COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000210624 [0,0,0,0,0,2|2,0,0]=4 4151 B14R1.419 CC(C)COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000210760 [0,0,0,0,0,2|2,0,0]=4 4152 B14R1.419 CC(C)COc1ccc(cc1)[S+](C)C 34a_100010188728_100000210624 [0,0,0,0,0,2|2,0,0]=4 4153 B14R1.419 CC(C)COc1ccc(cc1)[S+](C)C 7a_100010188728_100000210760 [0,0,0,0,0,2|2,0,0]=4 4154 B14R1.419 CC(C)CSc1ccc(cc1)C(=O)N 62a_100000162191_100000210760 [0,0,0,0,0,2|1,0,0]=3 4155 B14R1.419 CC(C)CSc1ccc(cc1)C(=O)N 62a_100000210624_100000162191 [0,0,0,0,0,2|1,0,0]=3 4156 B14R1.419 CC(C)CSc1ccc(cc1)C(C)C 62a_100000210624_100000750031 [0,0,0,0,0,2|1,0,1]=4 4157 B14R1.419 CC(C)CSc1ccc(cc1)C(C)C 62a_100000750031_100000210760 [0,0,0,0,0,2|1,0,1]=4 4158 B14R1.419 CC(C)CSc1ccc(cc1)C(C)O 62a_100000210624_100000745893 [0,0,0,0,0,2|0,0,2]=4 4159 B14R1.419 CC(C)CSc1ccc(cc1)C(C)O 62a_100000745893_100000210760 [0,0,0,0,0,2|0,0,2]=4 4160 B14R1.419 CC(C)CSc1ccc(cc1)N(C)C 62a_100000210421_100000210760 [0,0,0,0,0,2|2,0,0]=4 4161 B14R1.419 CC(C)CSc1ccc(cc1)N(C)C 62a_100000210624_100000210421 [0,0,0,0,0,2|2,0,0]=4 4162 B14R1.419 CC(C)CSc1ccc(cc1)S(=O)C 62a_100009816266_100000210760 [0,0,0,0,0,2|1,0,0]=3 4163 B14R1.419 CC(C)CSc1ccc(cc1)[C@@H](C)N 62a_100000210624_100000720352 [0,0,0,0,0,2|1,0,1]=4 4164 B14R1.419 CC(C)CSc1ccc(cc1)[C@@H](C)N 62a_100000720352_100000210760 [0,0,0,0,0,2|1,0,1]=4 4165 B14R1.419 CC(C)CSc1ccc(cc1)[C@H](C)N 62a_100000210624_100000753911 [0,0,0,0,0,2|1,0,1]=4 4166 B14R1.419 CC(C)CSc1ccc(cc1)[C@H](C)N 62a_100000753911_100000210760 [0,0,0,0,0,2|1,0,1]=4 4167 B14R1.419 CC(C)CSc1ccc(cn1)C(=O)N 62a_100000162237_100000210760 [0,0,0,0,0,2|2,0,0]=4 4168 B14R1.419 CC(C)CSc1ccc(cn1)C(=O)N 62a_100000210624_100000162237 [0,0,0,0,0,2|2,0,0]=4 4169 B14R1.419 CC(C)CSc1ccc(nc1)C(=O)N 62a_100000210624_100011219284 [0,0,0,0,0,2|2,0,0]=4 4170 B14R1.419 CC(C)CSc1ccc(nc1)C(=O)N 62a_100011219284_100000210760 [0,0,0,0,0,2|2,0,0]=4 4171 B14R1.419 CC(C)NCc1ccc(cc1)C(=O)N 207a_100138425928_100000038677 [0,0,0,0,0,2|1,0,0]=3 4172 B14R1.419 CC(C)NCc1ccc(cc1)C(=O)N 2230a_100138425928_100000231043 [0,0,0,0,0,2|1,0,0]=3 4173 B14R1.419 CC(C)NCc1ccc(cc1)C(=O)N 34a_100138425928_100000231043 [0,0,0,0,0,2|1,0,0]=3 4174 B14R1.419 CC(C)NCc1ccc(cc1)C(=O)O 269956a_100000181780_100000210206 [0,0,0,0,0,2|1,0,0]=3 4175 B14R1.419 CC(C)NCc1ccc(cc1)C(C)C 207a_100138425928_100000210693 [0,0,0,0,0,2|1,0,1]=4 4176 B14R1.419 CC(C)NCc1ccc(cc1)C(C)C 2230a_100000174979_100000210206 [0,0,0,0,0,2|1,0,1]=4 4177 B14R1.419 CC(C)NCc1ccc(cc1)C(C)C 2230a_100138425928_100000181262 [0,0,0,0,0,2|1,0,1]=4 4178 B14R1.419 CC(C)NCc1ccc(cc1)C(C)C 34a_100000174979_100000210206 [0,0,0,0,0,2|1,0,1]=4 4179 B14R1.419 CC(C)NCc1ccc(cc1)C(C)C 34a_100138425928_100000181262 [0,0,0,0,0,2|1,0,1]=4 4180 B14R1.419 CC(C)NCc1ccc(cc1)C(C)O 2230a_200000048501_100000210206 [0,0,0,0,0,2|0,0,2]=4 4181 B14R1.419 CC(C)NCc1ccc(cc1)C(C)O 34a_200000048501_100000210206 [0,0,0,0,0,2|0,0,2]=4 4182 B14R1.419 CC(C)NCc1ccc(cc1)N(C)C 207a_100138425928_100000185837 [0,0,0,0,0,2|2,0,0]=4 4183 B14R1.419 CC(C)NCc1ccc(cc1)[N+](=O)[O-] 207a_100138425928_100000189386 [0,0,0,0,0,2|2,0,0]=4 4184 B14R1.419 CC(C)NCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100000210206 [0,0,0,0,0,2|2,0,0]=4 4185 B14R1.419 CC(C)NCc1ccc(cc1)[N+](=O)[O-] 2230a_100138425928_100000181861 [0,0,0,0,0,2|2,0,0]=4 4186 B14R1.419 CC(C)NCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100000210206 [0,0,0,0,0,2|2,0,0]=4 4187 B14R1.419 CC(C)NCc1ccc(cc1)[N+](=O)[O-] 34a_100138425928_100000181861 [0,0,0,0,0,2|2,0,0]=4 4188 B14R1.419 CC(C)NCc1ccc(nc1)C(=O)O 269956a_100000762669_100000210206 [0,0,0,0,0,2|2,0,0]=4 4189 B14R1.419 CC(C)OCc1ccc(cc1)C(=O)N 34a_100000162016_100000210206 [0,0,0,0,0,2|1,0,0]=3 4190 B14R1.419 CC(C)OCc1ccc(cc1)C(=O)N 34a_100000212225_100000231043 [0,0,0,0,0,2|1,0,0]=3 4191 B14R1.419 CC(C)OCc1ccc(cc1)C(=O)N 7a_100000162016_100000210206 [0,0,0,0,0,2|1,0,0]=3 4192 B14R1.419 CC(C)OCc1ccc(cc1)C(C)C 34a_100000181325_100000210206 [0,0,0,0,0,2|1,0,1]=4 4193 B14R1.419 CC(C)OCc1ccc(cc1)C(C)C 34a_100000212225_100000181262 [0,0,0,0,0,2|1,0,1]=4 4194 B14R1.419 CC(C)OCc1ccc(cc1)C(C)C 7a_100000181325_100000210206 [0,0,0,0,0,2|1,0,1]=4 4195 B14R1.419 CC(C)OCc1ccc(cc1)N(C)C 34a_100000238745_100000210206 [0,0,0,0,0,2|2,0,0]=4 4196 B14R1.419 CC(C)OCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100000210206 [0,0,0,0,0,2|2,0,0]=4 4197 B14R1.419 CC(C)OCc1ccc(cc1)[N+](=O)[O-] 34a_100000212225_100000181861 [0,0,0,0,0,2|2,0,0]=4 4198 B14R1.419 CC(C)SCc1ccc(cc1)C(=O)N 62a_100000210206_100000231043 [0,0,0,0,0,2|1,0,0]=3 4199 B14R1.419 CC(C)SCc1ccc(cc1)C(=O)N 62a_100000231043_100000210206 [0,0,0,0,0,2|1,0,0]=3 4200 B14R1.419 CC(C)SCc1ccc(cc1)C(C)C 62a_100000181262_100000210206 [0,0,0,0,0,2|1,0,1]=4 4201 B14R1.419 CC(C)SCc1ccc(cc1)C(C)C 62a_100000210206_100000181262 [0,0,0,0,0,2|1,0,1]=4 4202 B14R1.419 CC(C)SCc1ccc(cc1)[N+](=O)[O-] 62a_100000210206_100000184243 [0,0,0,0,0,2|2,0,0]=4 4203 B14R1.419 CC(C)c1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000185018_200025704644 [0,0,0,0,0,2|0,0,0]=2 4204 B14R1.419 CC(C)c1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234928_200025704644 [0,0,0,0,0,2|0,0,0]=2 4205 B14R1.419 CC(C)c1ccc(cc1)CCN(C)C 270004a_100102631434_100000694422 [0,0,0,0,0,2|2,0,0]=4 4206 B14R1.419 CC(C)c1ccc(cc1)NCC(=O)N 2230a_100000210773_100000747473 [0,0,0,0,0,2|1,0,0]=3 4207 B14R1.419 CC(C)c1ccc(cc1)NCC(=O)N 34a_100000210773_100000187820 [0,0,0,0,0,2|1,0,0]=3 4208 B14R1.419 CC(C)c1ccc(cc1)NCC(=O)N 7a_100000210773_100000187820 [0,0,0,0,0,2|1,0,0]=3 4209 B14R1.419 CC(C)c1ccc(cc1)NCC(=O)[O-] 34a_100000210773_100020667443 [0,0,0,0,0,2|1,0,0]=3 4210 B14R1.419 CC(C)c1ccc(cc1)NC[C@@H](C)O 2230a_100000210773_100009817552 [0,0,0,0,0,2|0,0,2]=4 4211 B14R1.419 CC(C)c1ccc(cc1)NC[C@@H](C)O 34a_100000210773_100009817552 [0,0,0,0,0,2|0,0,2]=4 4212 B14R1.419 CC(C)c1ccc(cc1)NC[C@@H](C)O 7a_100000210773_100009817552 [0,0,0,0,0,2|0,0,2]=4 4213 B14R1.419 CC(C)c1ccc(cc1)NC[N+](=O)[O-] 34a_100000210773_100000761209 [0,0,0,0,0,2|2,0,0]=4 4214 B14R1.419 CC(C)c1ccc(cc1)OCC(=O)N 34a_100000181308_100000187820 [0,0,0,0,0,2|1,0,0]=3 4215 B14R1.419 CC(C)c1ccc(cc1)OCC(=O)N 7a_100000181308_100000187820 [0,0,0,0,0,2|1,0,0]=3 4216 B14R1.419 CC(C)c1ccc(cc1)OCC(=O)[13CH3] 1458a_100000189144_200025704644 [0,0,0,0,0,2|0,0,0]=2 4217 B14R1.419 CC(C)c1ccc(cc1)OCC(=O)[O-] 34a_100000181308_100020667443 [0,0,0,0,0,2|1,0,0]=3 4218 B14R1.419 CC(C)c1ccc(cc1)OC[C@@H](C)O 34a_100000181308_100009817552 [0,0,0,0,0,2|0,0,2]=4 4219 B14R1.419 CC(C)c1ccc(cc1)OC[C@@H](C)O 7a_100000181308_100009817552 [0,0,0,0,0,2|0,0,2]=4 4220 B14R1.419 CC(C)c1ccc(cc1)OC[N+](=O)[O-] 34a_100000181308_100000761209 [0,0,0,0,0,2|2,0,0]=4 4221 B14R1.419 CC(C)c1ccc(cc1)SCC(=O)N 62a_100000747473_100000750031 [0,0,0,0,0,2|1,0,0]=3 4222 B14R1.419 CC(C)c1ccc(cc1)SCC(=O)N 62a_100000750031_100000747473 [0,0,0,0,0,2|1,0,0]=3 4223 B14R1.419 CC(C)c1ccc(cc1)SCC(=O)[13CH3] 1458a_100000740577_200025704644 [0,0,0,0,0,2|0,0,0]=2 4224 B14R1.419 CC(C)c1ccc(cc1)SCC(=O)[O-] 62a_100000750031_100020667443 [0,0,0,0,0,2|1,0,0]=3 4225 B14R1.419 CC(C)c1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000750031 [0,0,0,0,0,2|1,0,0]=3 4226 B14R1.419 CC(C)c1ccc(cc1)SC[C@@H](C)O 62a_100000750031_100009817552 [0,0,0,0,0,2|0,0,2]=4 4227 B14R1.419 CC(C)c1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100000750031 [0,0,0,0,0,2|0,0,2]=4 4228 B14R1.419 CC(C)c1ccc(cc1)SC[N+](=O)[O-] 62a_100000750031_100000761209 [0,0,0,0,0,2|2,0,0]=4 4229 B14R1.419 CC(C)c1ccc(cn1)SCC(=O)N 62a_100000747473_100010255768 [0,0,0,0,0,2|2,0,0]=4 4230 B14R1.419 CC(C)c1ccc(cn1)SCC(=O)N 62a_100010255768_100000747473 [0,0,0,0,0,2|2,0,0]=4 4231 B14R1.419 CC(C)c1ccc(cn1)SCC(=O)[O-] 62a_100010255768_100020667443 [0,0,0,0,0,2|2,0,0]=4 4232 B14R1.419 CC(C)c1ccc(cn1)SCC(=O)[O-] 62a_100020667443_100010255768 [0,0,0,0,0,2|2,0,0]=4 4233 B14R1.419 CC(C)c1ccc(nc1)SCC(=O)N 62a_100000747473_200009815286 [0,0,0,0,0,2|2,0,0]=4 4234 B14R1.419 CC(C)c1ccc(nc1)SCC(=O)N 62a_200009815286_100000747473 [0,0,0,0,0,2|2,0,0]=4 4235 B14R1.419 CC(C)c1ccc(nc1)SCC(=O)[O-] 62a_100020667443_200009815286 [0,0,0,0,0,2|2,0,0]=4 4236 B14R1.419 CC(C)c1ccc(nc1)SCC(=O)[O-] 62a_200009815286_100020667443 [0,0,0,0,0,2|2,0,0]=4 4237 B14R1.419 CC(O)C=Cc1ccc(cc1)C(=O)N 271570a_200011019289_100000162191 [0,0,0,0,0,2|2,0,0]=4 4238 B14R1.419 CC(O)C=Cc1ccc(cc1)C(C)C 271570a_200011019289_100000750031 [0,0,0,0,0,2|0,0,2]=4 4239 B14R1.419 CC(O)C=Cc1ccc(cc1)S(=O)C 271570a_200011019289_100009816266 [0,0,0,0,0,2|2,0,0]=4 4240 B14R1.419 CC(O)CNc1ccc(cc1)C(=O)N 27a_100000210904_100000162191 [0,0,0,0,0,2|2,0,0]=4 4241 B14R1.419 CC(O)CNc1ccc(cc1)C(=O)N 34a_100000210537_100011218427 [0,0,0,0,0,2|2,0,0]=4 4242 B14R1.419 CC(O)CNc1ccc(cc1)C(C)C 2230a_100000210773_100011218427 [0,0,0,0,0,2|0,0,2]=4 4243 B14R1.419 CC(O)CNc1ccc(cc1)C(C)C 34a_100000210773_100011218427 [0,0,0,0,0,2|0,0,2]=4 4244 B14R1.419 CC(O)CNc1ccc(cc1)C(C)C 7a_100000210773_100011218427 [0,0,0,0,0,2|0,0,2]=4 4245 B14R1.419 CC(O)COc1ccc(cc1)C(=O)N 34a_100000746352_100011218427 [0,0,0,0,0,2|2,0,0]=4 4246 B14R1.419 CC(O)COc1ccc(cc1)C(=O)N 7a_100000746352_100011218427 [0,0,0,0,0,2|2,0,0]=4 4247 B14R1.419 CC(O)COc1ccc(cc1)C(C)C 34a_100000181308_100011218427 [0,0,0,0,0,2|0,0,2]=4 4248 B14R1.419 CC(O)COc1ccc(cc1)C(C)C 7a_100000181308_100011218427 [0,0,0,0,0,2|0,0,2]=4 4249 B14R1.419 CC(O)COc1ccc(cc1)S(=O)C 34a_200000064373_100011218427 [0,0,0,0,0,2|2,0,0]=4 4250 B14R1.419 CC(O)COc1ccc(cc1)S(=O)C 7a_200000064373_100011218427 [0,0,0,0,0,2|2,0,0]=4 4251 B14R1.419 CC(O)CSc1ccc(cc1)C(=O)N 62a_100000162191_100011218427 [0,0,0,0,0,2|2,0,0]=4 4252 B14R1.419 CC(O)CSc1ccc(cc1)C(=O)N 62a_100011218427_100000162191 [0,0,0,0,0,2|2,0,0]=4 4253 B14R1.419 CC(O)CSc1ccc(cc1)C(C)C 62a_100000750031_100011218427 [0,0,0,0,0,2|0,0,2]=4 4254 B14R1.419 CC(O)CSc1ccc(cc1)C(C)C 62a_100011218427_100000750031 [0,0,0,0,0,2|0,0,2]=4 4255 B14R1.419 CC(O)CSc1ccc(cc1)S(=O)C 62a_100009816266_100011218427 [0,0,0,0,0,2|2,0,0]=4 4256 B14R1.419 CC(O)c1ccc(cc1)NCC(=O)N 2230a_100011216399_100000747473 [0,0,0,0,0,2|2,0,0]=4 4257 B14R1.419 CC(O)c1ccc(cc1)NCC(=O)N 34a_100011216399_100000187820 [0,0,0,0,0,2|2,0,0]=4 4258 B14R1.419 CC(O)c1ccc(cc1)NCC(=O)[O-] 34a_100011216399_100020667443 [0,0,0,0,0,2|2,0,0]=4 4259 B14R1.419 CC(O)c1ccc(cc1)OCC(=O)N 34a_100000754508_100000187820 [0,0,0,0,0,2|2,0,0]=4 4260 B14R1.419 CC(O)c1ccc(cc1)OCC(=O)N 7a_100000754508_100000187820 [0,0,0,0,0,2|2,0,0]=4 4261 B14R1.419 CC(O)c1ccc(cc1)OCC(=O)[O-] 34a_100000754508_100020667443 [0,0,0,0,0,2|2,0,0]=4 4262 B14R1.419 CC(O)c1ccc(cc1)SCC(=O)N 62a_100000745893_100000747473 [0,0,0,0,0,2|2,0,0]=4 4263 B14R1.419 CC(O)c1ccc(cc1)SCC(=O)N 62a_100000747473_100000745893 [0,0,0,0,0,2|2,0,0]=4 4264 B14R1.419 CC(O)c1ccc(cc1)SCC(=O)[O-] 62a_100000745893_100020667443 [0,0,0,0,0,2|2,0,0]=4 4265 B14R1.419 CC(O)c1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000745893 [0,0,0,0,0,2|2,0,0]=4 4266 B14R1.419 CN(C)c1ccc(cc1)C=CC(=O)[13CH3] 1458a_100016270256_200025704644 [0,0,0,0,0,2|1,0,0]=3 4267 B14R1.419 CN(C)c1ccc(cc1)CCC(=O)[13CH3] 1458a_100000205957_200025704644 [0,0,0,0,0,2|1,0,0]=3 4268 B14R1.419 CN(C)c1ccc(cc1)NCC(=O)N 34a_100016997997_100000187820 [0,0,0,0,0,2|2,0,0]=4 4269 B14R1.419 CN(C)c1ccc(cc1)NCC(=O)[O-] 34a_100016997997_100020667443 [0,0,0,0,0,2|2,0,0]=4 4270 B14R1.419 CN(C)c1ccc(cc1)OCC(=O)N 34a_100000718910_100000187820 [0,0,0,0,0,2|2,0,0]=4 4271 B14R1.419 CN(C)c1ccc(cc1)OCC(=O)[O-] 34a_100000718910_100020667443 [0,0,0,0,0,2|2,0,0]=4 4272 B14R1.419 CN(C)c1ccc(cc1)SCC(=O)N 62a_100000210421_100000747473 [0,0,0,0,0,2|2,0,0]=4 4273 B14R1.419 CN(C)c1ccc(cc1)SCC(=O)N 62a_100000747473_100000210421 [0,0,0,0,0,2|2,0,0]=4 4274 B14R1.419 CN(C)c1ccc(cc1)SCC(=O)[O-] 62a_100000210421_100020667443 [0,0,0,0,0,2|2,0,0]=4 4275 B14R1.419 CN(C)c1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000210421 [0,0,0,0,0,2|2,0,0]=4 4276 B14R1.419 C[C@@H](N)c1ccc(cc1)SCC(=O)N 62a_100000720352_100000747473 [0,0,0,0,0,2|2,0,0]=4 4277 B14R1.419 C[C@@H](N)c1ccc(cc1)SCC(=O)N 62a_100000747473_100000720352 [0,0,0,0,0,2|2,0,0]=4 4278 B14R1.419 C[C@@H](N)c1ccc(cc1)SCC(=O)[O-] 62a_100000720352_100020667443 [0,0,0,0,0,2|2,0,0]=4 4279 B14R1.419 C[C@@H](N)c1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000720352 [0,0,0,0,0,2|2,0,0]=4 4280 B14R1.419 C[C@@H](O)CNc1ccc(cc1)C(=O)N 34a_100000210537_100009817552 [0,0,0,0,0,2|2,0,0]=4 4281 B14R1.419 C[C@@H](O)COc1ccc(cc1)C(=O)N 34a_100000746352_100009817552 [0,0,0,0,0,2|2,0,0]=4 4282 B14R1.419 C[C@@H](O)COc1ccc(cc1)C(=O)N 7a_100000746352_100009817552 [0,0,0,0,0,2|2,0,0]=4 4283 B14R1.419 C[C@@H](O)COc1ccc(cc1)S(=O)C 34a_200000064373_100009817552 [0,0,0,0,0,2|2,0,0]=4 4284 B14R1.419 C[C@@H](O)COc1ccc(cc1)S(=O)C 7a_200000064373_100009817552 [0,0,0,0,0,2|2,0,0]=4 4285 B14R1.419 C[C@@H](O)CSc1ccc(cc1)C(=O)N 62a_100000162191_100009817552 [0,0,0,0,0,2|2,0,0]=4 4286 B14R1.419 C[C@@H](O)CSc1ccc(cc1)C(=O)N 62a_100009817552_100000162191 [0,0,0,0,0,2|2,0,0]=4 4287 B14R1.419 C[C@@H](O)CSc1ccc(cc1)S(=O)C 62a_100009816266_100009817552 [0,0,0,0,0,2|2,0,0]=4 4288 B14R1.419 C[C@H](N)c1ccc(cc1)OCC(=O)N 34a_100161106496_100000187820 [0,0,0,0,0,2|2,0,0]=4 4289 B14R1.419 C[C@H](N)c1ccc(cc1)OCC(=O)[O-] 34a_100161106496_100020667443 [0,0,0,0,0,2|2,0,0]=4 4290 B14R1.419 C[C@H](N)c1ccc(cc1)SCC(=O)N 62a_100000747473_100000753911 [0,0,0,0,0,2|2,0,0]=4 4291 B14R1.419 C[C@H](N)c1ccc(cc1)SCC(=O)N 62a_100000753911_100000747473 [0,0,0,0,0,2|2,0,0]=4 4292 B14R1.419 C[C@H](N)c1ccc(cc1)SCC(=O)[O-] 62a_100000753911_100020667443 [0,0,0,0,0,2|2,0,0]=4 4293 B14R1.419 C[C@H](N)c1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000753911 [0,0,0,0,0,2|2,0,0]=4 4294 B14R1.419 C[S+](C)c1ccc(cc1)OCC(=O)N 34a_100010188728_100000187820 [0,0,0,0,0,2|2,0,0]=4 4295 B14R1.419 C[S+](C)c1ccc(cc1)OCC(=O)N 7a_100010188728_100000187820 [0,0,0,0,0,2|2,0,0]=4 4296 B14R1.419 C[S+](C)c1ccc(cc1)OCC(=O)[O-] 34a_100010188728_100020667443 [0,0,0,0,0,2|2,0,0]=4 4297 B14R1.805 CC(=Cc1ccc(cc1)CC(=O)N)C 271570a_100102525489_100000162331 [0,0,0,0,0,2|1,0,1]=4 4298 B14R1.805 CC(=Cc1ccc(cc1)CC(C)C)C 271570a_100102525489_100011221366 [0,0,0,0,0,2|1,0,0]=3 4299 B14R1.805 CC(=Cc1ccc(cc1)CN(C)C)C 271570a_100102525489_100000174694 [0,0,0,0,0,2|2,0,0]=4 4300 B14R1.805 CC(=Cc1ccc(cc1)NC(=O)N)C 271570a_100102525489_100000198584 [0,0,0,0,0,2|1,0,1]=4 4301 B14R1.805 CC(=Cc1ccc(cc1)NC(C)C)C 271570a_100102525489_100000219625 [0,0,0,0,0,2|1,0,0]=3 4302 B14R1.805 CC(=Cc1ccc(cc1)OC(C)C)C 271570a_100102525489_100000169947 [0,0,0,0,0,2|1,0,0]=3 4303 B14R1.805 CC(=Cc1ccc(cc1)SC(C)C)C 271570a_100102525489_100009811894 [0,0,0,0,0,2|1,0,0]=3 4304 B14R1.805 CC(=Cc1ccc(cn1)OC(C)C)C 271570a_100102525489_100012354243 [0,0,0,0,0,2|2,0,0]=4 4305 B14R1.805 CC(=Cc1ccc(nc1)OC(C)C)C 271570a_100102525489_100000688564 [0,0,0,0,0,2|2,0,0]=4 4306 B14R1.805 CC(=O)Cc1ccc(cc1)C=C(C)C 271570a_100102525489_100000691760 [0,0,0,0,0,2|0,0,1]=3 4307 B14R1.805 CC(=O)Cc1ccc(cc1)CC(C)C 1458a_100000070787_100011982790 [0,0,0,0,0,2|0,0,0]=2 4308 B14R1.805 CC(=O)Cc1ccc(cc1)CC(C)C 1458a_100000204619_200000210301 [0,0,0,0,0,2|0,0,0]=2 4309 B14R1.805 CC(=O)Cc1ccc(cc1)NC(=O)C 1458a_100000070787_100000731167 [0,0,0,0,0,2|1,0,1]=4 4310 B14R1.805 CC(=O)Cc1ccc(cc1)NC(=O)C 1458a_100000199044_200000210301 [0,0,0,0,0,2|1,0,1]=4 4311 B14R1.805 CC(=O)Cc1ccc(cc1)OC(C)C 1458a_100000244678_200000210301 [0,0,0,0,0,2|0,0,0]=2 4312 B14R1.805 CC(=O)Cc1ccc(cc1)OC(C)C 34a_100011218180_100000210206 [0,0,0,0,0,2|0,0,0]=2 4313 B14R1.805 CC(=O)Cc1ccc(cc1)OC(C)C 7a_100011218180_100000210206 [0,0,0,0,0,2|0,0,0]=2 4314 B14R1.805 CC(=O)Cc1ccc(cc1)OC(F)F 1458a_100000070787_100011217905 [0,0,0,0,0,2|2,0,0]=4 4315 B14R1.805 CC(=O)Cc1ccc(cc1)OC(F)F 1458a_100000199076_200000210301 [0,0,0,0,0,2|2,0,0]=4 4316 B14R1.805 CC(=O)Cc1ccc(cc1)SC(C)C 62a_100000210206_100000691760 [0,0,0,0,0,2|0,0,0]=2 4317 B14R1.805 CC(=O)Cc1ccc(cc1)SC(C)C 62a_100000691760_100000210206 [0,0,0,0,0,2|0,0,0]=2 4318 B14R1.805 CC(=O)Nc1ccc(cc1)C=C(C)C 271570a_100102525489_100000155215 [0,0,0,0,0,2|0,0,1]=3 4319 B14R1.805 CC(=O)Nc1ccc(cc1)CC(=O)[13CH3] 1458a_100000199044_200025704644 [0,0,0,0,0,2|1,0,1]=4 4320 B14R1.805 CC(=O)Nc1ccc(cc1)CC(C)C 11a_100000687309_100015343762 [0,0,0,0,0,2|0,0,0]=2 4321 B14R1.805 CC(=O)Nc1ccc(cc1)CC(C)C 1626a_100000687309_100015343762 [0,0,0,0,0,2|0,0,0]=2 4322 B14R1.805 CC(=O)Nc1ccc(cc1)CC(C)C 22a_100000687309_100000070787 [0,0,0,0,0,2|0,0,0]=2 4323 B14R1.805 CC(=O)Nc1ccc(cc1)CC(C)C 527a_100000687309_100103153847 [0,0,0,0,0,2|0,0,0]=2 4324 B14R1.805 CC(=O)Nc1ccc(cc1)CN(C)C 11a_100000246131_100015343762 [0,0,0,0,0,2|1,0,0]=3 4325 B14R1.805 CC(=O)Nc1ccc(cc1)CN(C)C 2230a_100102631434_100000731167 [0,0,0,0,0,2|1,0,0]=3 4326 B14R1.805 CC(=O)Nc1ccc(cc1)CN(C)C 22a_100000246131_100000070787 [0,0,0,0,0,2|1,0,0]=3 4327 B14R1.805 CC(=O)Nc1ccc(cc1)CN(C)C 269982a_100102631434_100000731167 [0,0,0,0,0,2|1,0,0]=3 4328 B14R1.805 CC(=O)Nc1ccc(cc1)CN(C)C 527a_100000246131_100103153847 [0,0,0,0,0,2|1,0,0]=3 4329 B14R1.805 CC(=O)Nc1ccc(cc1)NC(=O)C 11a_100000184111_100015343762 [0,0,0,0,0,2|1,0,1]=4 4330 B14R1.805 CC(=O)Nc1ccc(cc1)NC(=O)C 1626a_100000184111_100015343762 [0,0,0,0,0,2|1,0,1]=4 4331 B14R1.805 CC(=O)Nc1ccc(cc1)NC(=O)C 22a_100000184111_100000070787 [0,0,0,0,0,2|1,0,1]=4 4332 B14R1.805 CC(=O)Nc1ccc(cc1)NC(=O)C 527a_100000184111_100103153847 [0,0,0,0,0,2|1,0,1]=4 4333 B14R1.805 CC(=O)Nc1ccc(cc1)NC(C)C 34a_100000184111_100000210206 [0,0,0,0,0,2|0,0,0]=2 4334 B14R1.805 CC(=O)Nc1ccc(cc1)OC(=O)C 11a_100009829859_100015343762 [0,0,0,0,0,2|1,0,1]=4 4335 B14R1.805 CC(=O)Nc1ccc(cc1)OC(=O)C 1626a_100009829859_100015343762 [0,0,0,0,0,2|1,0,1]=4 4336 B14R1.805 CC(=O)Nc1ccc(cc1)OC(=O)C 22a_100009829859_100000070787 [0,0,0,0,0,2|1,0,1]=4 4337 B14R1.805 CC(=O)Nc1ccc(cc1)OC(=O)C 527a_100009829859_100103153847 [0,0,0,0,0,2|1,0,1]=4 4338 B14R1.805 CC(=O)Nc1ccc(cc1)OC(C)C 11a_100011194259_100015343762 [0,0,0,0,0,2|0,0,0]=2 4339 B14R1.805 CC(=O)Nc1ccc(cc1)OC(C)C 1626a_100011194259_100015343762 [0,0,0,0,0,2|0,0,0]=2 4340 B14R1.805 CC(=O)Nc1ccc(cc1)OC(C)C 22a_100011194259_100000070787 [0,0,0,0,0,2|0,0,0]=2 4341 B14R1.805 CC(=O)Nc1ccc(cc1)OC(C)C 34a_100000184395_100000210206 [0,0,0,0,0,2|0,0,0]=2 4342 B14R1.805 CC(=O)Nc1ccc(cc1)OC(C)C 527a_100011194259_100103153847 [0,0,0,0,0,2|0,0,0]=2 4343 B14R1.805 CC(=O)Nc1ccc(cc1)OC(C)C 7a_100000184395_100000210206 [0,0,0,0,0,2|0,0,0]=2 4344 B14R1.805 CC(=O)Nc1ccc(cc1)OC(F)F 11a_100000183591_100015343762 [0,0,0,0,0,2|2,0,0]=4 4345 B14R1.805 CC(=O)Nc1ccc(cc1)OC(F)F 1626a_100000183591_100015343762 [0,0,0,0,0,2|2,0,0]=4 4346 B14R1.805 CC(=O)Nc1ccc(cc1)OC(F)F 22a_100000183591_100000070787 [0,0,0,0,0,2|2,0,0]=4 4347 B14R1.805 CC(=O)Nc1ccc(cc1)OC(F)F 527a_100000183591_100103153847 [0,0,0,0,0,2|2,0,0]=4 4348 B14R1.805 CC(=O)Nc1ccc(cc1)SC(C)C 62a_100000210206_100000155215 [0,0,0,0,0,2|0,0,0]=2 4349 B14R1.805 CC(=O)Nc1ccc(cc1)SC(F)F 11a_100000189473_100015343762 [0,0,0,0,0,2|2,0,0]=4 4350 B14R1.805 CC(=O)Nc1ccc(cc1)SC(F)F 1626a_100000189473_100015343762 [0,0,0,0,0,2|2,0,0]=4 4351 B14R1.805 CC(=O)Nc1ccc(cc1)SC(F)F 22a_100000189473_100000070787 [0,0,0,0,0,2|2,0,0]=4 4352 B14R1.805 CC(=O)Nc1ccc(cn1)C=C(C)C 271570a_100102525489_100000193312 [0,0,0,0,0,2|1,0,1]=4 4353 B14R1.805 CC(=O)Nc1ccc(cn1)OC(C)C 34a_200000094647_100000210206 [0,0,0,0,0,2|1,0,0]=3 4354 B14R1.805 CC(=O)Nc1ccc(cn1)OC(C)C 7a_200000094647_100000210206 [0,0,0,0,0,2|1,0,0]=3 4355 B14R1.805 CC(=O)Nc1ccc(cn1)SC(C)C 62a_100000210206_100000193312 [0,0,0,0,0,2|1,0,0]=3 4356 B14R1.805 CC(=O)Nc1ccc(nc1)C=C(C)C 271570a_100102525489_100011934715 [0,0,0,0,0,2|1,0,1]=4 4357 B14R1.805 CC(=O)Nc1ccc(nc1)SC(C)C 62a_100000210206_100011934715 [0,0,0,0,0,2|1,0,0]=3 4358 B14R1.805 CC(=O)Nc1ccc(nn1)SC(C)C 62a_100000210206_100011804224 [0,0,0,0,0,2|2,0,0]=4 4359 B14R1.805 CC(=O)Nc1cnc(nc1)SC(C)C 62a_100000210206_200010565192 [0,0,0,0,0,2|2,0,0]=4 4360 B14R1.805 CC(=O)Nc1ncc(cn1)SC(C)C 62a_100000210206_100010141023 [0,0,0,0,0,2|2,0,0]=4 4361 B14R1.805 CC(=O)Nc1ncc(cn1)SC(C)C 62a_100010141023_100000210206 [0,0,0,0,0,2|2,0,0]=4 4362 B14R1.805 CC(=O)Oc1ccc(cc1)C=C(C)C 271570a_100102525489_100000002173 [0,0,0,0,0,2|0,0,1]=3 4363 B14R1.805 CC(=O)Oc1ccc(cc1)CN(C)C 2230a_100102631434_100000033664 [0,0,0,0,0,2|1,0,0]=3 4364 B14R1.805 CC(=O)Oc1ccc(cc1)CN(C)C 269982a_100102631434_100000033664 [0,0,0,0,0,2|1,0,0]=3 4365 B14R1.805 CC(=O)Oc1ccc(cc1)CN(C)C 270004a_100102631434_100000014718 [0,0,0,0,0,2|1,0,0]=3 4366 B14R1.805 CC(=O)Oc1ccc(cc1)SC(C)C 62a_100000210206_100000002173 [0,0,0,0,0,2|0,0,0]=2 4367 B14R1.805 CC(=O)Sc1ccc(cc1)C=C(C)C 271570a_100102525489_200009995050 [0,0,0,0,0,2|0,0,1]=3 4368 B14R1.805 CC(=O)Sc1ccc(cc1)SC(C)C 62a_200009995050_100000210206 [0,0,0,0,0,2|0,0,0]=2 4369 B14R1.805 CC(=S)Oc1ccc(cc1)C=C(C)C 271570a_100102525489_200009816735 [0,0,0,0,0,2|0,1,1]=4 4370 B14R1.805 CC(=S)Oc1ccc(cc1)SC(C)C 62a_100000210206_200009816735 [0,0,0,0,0,2|0,1,0]=3 4371 B14R1.805 CC(C)Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000204619_200025704644 [0,0,0,0,0,2|0,0,0]=2 4372 B14R1.805 CC(C)Cc1ccc(cc1)CN(C)C 2230a_100102631434_100011982790 [0,0,0,0,0,2|2,0,0]=4 4373 B14R1.805 CC(C)Cc1ccc(cc1)CN(C)C 269982a_100102631434_100011982790 [0,0,0,0,0,2|2,0,0]=4 4374 B14R1.805 CC(C)Cc1ccc(cc1)CN(C)C 270004a_100102631434_100000749234 [0,0,0,0,0,2|2,0,0]=4 4375 B14R1.805 CC(C)Cc1ccc(cc1)NC(C)C 2230a_100000687309_100000210206 [0,0,0,0,0,2|1,0,1]=4 4376 B14R1.805 CC(C)Cc1ccc(cc1)NC(C)C 34a_100000687309_100000210206 [0,0,0,0,0,2|1,0,1]=4 4377 B14R1.805 CC(C)Cc1ccc(cc1)SC(C)C 62a_100000210206_100011221366 [0,0,0,0,0,2|1,0,1]=4 4378 B14R1.805 CC(C)Cc1ccc(cc1)SC(C)C 62a_100011221366_100000210206 [0,0,0,0,0,2|1,0,1]=4 4379 B14R1.805 CC(C)Nc1ccc(cc1)CC(=O)N 2230a_100000738315_100000210206 [0,0,0,0,0,2|1,0,0]=3 4380 B14R1.805 CC(C)Nc1ccc(cc1)CC(=O)N 34a_100000738315_100000210206 [0,0,0,0,0,2|1,0,0]=3 4381 B14R1.805 CC(C)Nc1ccc(cc1)OC(C)C 2230a_100011194259_100000210206 [0,0,0,0,0,2|1,0,1]=4 4382 B14R1.805 CC(C)Nc1ccc(cc1)OC(C)C 34a_100011194259_100000210206 [0,0,0,0,0,2|1,0,1]=4 4383 B14R1.805 CC(C)Nc1ccc(cc1)SC(C)C 62a_100000210206_100000219625 [0,0,0,0,0,2|1,0,1]=4 4384 B14R1.805 CC(C)Nc1ccc(cc1)SC(C)C 62a_100000219625_100000210206 [0,0,0,0,0,2|1,0,1]=4 4385 B14R1.805 CC(C)Oc1ccc(cc1)CC(=O)N 34a_100000020825_100000210206 [0,0,0,0,0,2|1,0,0]=3 4386 B14R1.805 CC(C)Oc1ccc(cc1)CC(=O)[13CH3] 1458a_100000244678_200025704644 [0,0,0,0,0,2|0,0,0]=2 4387 B14R1.805 CC(C)Oc1ccc(cc1)CN(C)C 2230a_100000713913_200000210301 [0,0,0,0,0,2|2,0,0]=4 4388 B14R1.805 CC(C)Oc1ccc(cc1)CN(C)C 269982a_100000713913_200000210301 [0,0,0,0,0,2|2,0,0]=4 4389 B14R1.805 CC(C)Oc1ccc(cc1)CN(C)C 270004a_100102631434_100000169837 [0,0,0,0,0,2|2,0,0]=4 4390 B14R1.805 CC(C)Oc1ccc(cc1)CN(C)C 34a_100000713913_200000210301 [0,0,0,0,0,2|2,0,0]=4 4391 B14R1.805 CC(C)Oc1ccc(cc1)CN(C)[13CH3] 2230a_100000713913_200025704644 [0,0,0,0,0,2|2,0,0]=4 4392 B14R1.805 CC(C)Oc1ccc(cc1)CN(C)[13CH3] 269982a_100000713913_200025704644 [0,0,0,0,0,2|2,0,0]=4 4393 B14R1.805 CC(C)Oc1ccc(cc1)CN(C)[13CH3] 34a_100000713913_200025704644 [0,0,0,0,0,2|2,0,0]=4 4394 B14R1.805 CC(C)Oc1ccc(cc1)OC(C)C 34a_100000757185_100000210206 [0,0,0,0,0,2|1,0,1]=4 4395 B14R1.805 CC(C)Oc1ccc(cc1)OC(C)C 7a_100000757185_100000210206 [0,0,0,0,0,2|1,0,1]=4 4396 B14R1.805 CC(C)Oc1ccc(cc1)SC(C)C 62a_100000169947_100000210206 [0,0,0,0,0,2|1,0,1]=4 4397 B14R1.805 CC(C)Oc1ccc(cc1)SC(C)C 62a_100000210206_100000169947 [0,0,0,0,0,2|1,0,1]=4 4398 B14R1.805 CC(C)Sc1ccc(cc1)C=C(F)F 62a_100000210206_200009816947 [0,0,0,0,0,2|2,0,0]=4 4399 B14R1.805 CC(C)Sc1ccc(cc1)C=C(F)F 62a_200009816947_100000210206 [0,0,0,0,0,2|2,0,0]=4 4400 B14R1.805 CC(C)Sc1ccc(cc1)CC(=O)N 62a_100000162331_100000210206 [0,0,0,0,0,2|1,0,0]=3 4401 B14R1.805 CC(C)Sc1ccc(cc1)CC(=O)N 62a_100000210206_100000162331 [0,0,0,0,0,2|1,0,0]=3 4402 B14R1.805 CC(C)Sc1ccc(cc1)CN(C)C 270004a_100102631434_200011925711 [0,0,0,0,0,2|2,0,0]=4 4403 B14R1.805 CC(C)Sc1ccc(cc1)CN(C)C 62a_100000174694_100000210206 [0,0,0,0,0,2|2,0,0]=4 4404 B14R1.805 CC(C)Sc1ccc(cc1)CN(C)C 62a_100000210206_100000174694 [0,0,0,0,0,2|2,0,0]=4 4405 B14R1.805 CC(C)Sc1ccc(cc1)NC(=O)N 62a_100000210206_100000198584 [0,0,0,0,0,2|1,0,0]=3 4406 B14R1.805 CC(C)Sc1ccc(cc1)SC(C)C 62a_100000210206_100009811894 [0,0,0,0,0,2|1,0,1]=4 4407 B14R1.805 CC(C)Sc1ccc(cc1)SC(C)C 62a_100009811894_100000210206 [0,0,0,0,0,2|1,0,1]=4 4408 B14R1.805 CC(C)Sc1ccc(cn1)CC(=O)N 62a_100000210206_200000071513 [0,0,0,0,0,2|2,0,0]=4 4409 B14R1.805 CC(C)Sc1ccc(cn1)CC(=O)N 62a_200000071513_100000210206 [0,0,0,0,0,2|2,0,0]=4 4410 B14R1.805 CC(C)Sc1ccc(nc1)CC(=O)N 62a_100000210206_200010888337 [0,0,0,0,0,2|2,0,0]=4 4411 B14R1.805 CC(C)Sc1ccc(nc1)CC(=O)N 62a_200010888337_100000210206 [0,0,0,0,0,2|2,0,0]=4 4412 B14R1.805 CC(N)Cc1ccc(cc1)OC(C)C 34a_100102634573_100000210206 [0,0,0,0,0,2|1,0,1]=4 4413 B14R1.805 [13CH3]C(=O)Cc1ccc(cc1)OC(F)F 1458a_100000199076_200025704644 [0,0,0,0,0,2|2,0,0]=4