0 B11R1.3 C#Cc1ccc(cc1)C(=O)C 1458a_100011217615_200000210301 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.3 C#Cc1ccc(cc1)C(=O)[13CH3] 1458a_100011217615_200025704644 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.3 C=C(C)c1ccc(cc1)C#N 271570a_100000694244_100000179745 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.3 C=C(C)c1ccc(cc1)C=O 271570a_100000694244_100000186029 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.3 C=C(C)c1ccc(cc1)CC 271570a_100000694244_100011215824 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.3 C=C(C)c1ccc(cc1)CF 271570a_100000694244_100010268989 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.3 C=C(C)c1ccc(cc1)CN 271570a_100000694244_100016989417 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.3 C=C(C)c1ccc(cc1)CO 271570a_100000694244_100000690907 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.3 C=C(C)c1ccc(cc1)NC 271570a_100000694244_100000219623 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.3 C=C(C)c1ccc(cc1)NN 271570a_100000694244_100016988836 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.3 C=C(C)c1ccc(cc1)OC 271570a_100000694244_100000171711 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.3 C=C(C)c1ccc(cc1)OC 34a_100009880102_200000210301 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.3 C=C(C)c1ccc(cc1)OC 7a_100009880102_200000210301 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 34a_100009880102_200025704644 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 7a_100009880102_200025704644 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.3 C=C(C)c1ccc(cc1)SC 271570a_100000694244_100011263217 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_100000185454_200000210301 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_200000210301_100000185454 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_100000185454_200025704644 [0,0,0,0,0,0|4,0,0]=4 19 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185454 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.3 C=C(C)c1ccc(cn1)CO 271570a_100000694244_100009816760 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.3 C=C(C)c1ccc(nc1)CO 271570a_100000694244_100000754261 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.3 C=Cc1ccc(cc1)B(O)O 271570a_100011290941_100000754493 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.3 C=Cc1ccc(cc1)C(=C)C 271570a_100011290941_100000185454 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.3 C=Cc1ccc(cc1)C(=O)C 1458a_100000687532_200000210301 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.3 C=Cc1ccc(cc1)C(=O)C 271570a_100011290941_100000185465 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.3 C=Cc1ccc(cc1)C(=O)N 271570a_100011290941_100000162191 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.3 C=Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000687532_200025704644 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.3 C=Cc1ccc(cc1)C(C)O 271570a_100011290941_100000745893 [0,0,0,0,0,0|3,0,1]=4 29 B11R1.3 C=Cc1ccc(cc1)S(=O)C 271570a_100011290941_100009816266 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.3 C=Cc1ccc(cn1)C(=O)C 271570a_100011290941_100000684857 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.3 C=Cc1ccc(cn1)C(=O)N 271570a_100011290941_100000162237 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.3 C=Cc1ccc(nc1)C(=O)C 271570a_100011290941_100000686046 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.3 C=Cc1ccc(nc1)C(=O)N 271570a_100011290941_100011219284 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.3 CC(=O)c1ccc(cc1)C#N 1458a_100000210717_200000210301 [0,0,0,0,0,0|3,0,0]=3 35 B11R1.3 CC(=O)c1ccc(cc1)CO 1458a_100000183892_200000210301 [0,0,0,0,0,0|2,0,0]=2 36 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 34a_100000185113_200025704644 [0,0,0,0,0,0|3,0,0]=3 37 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 7a_100000185113_200025704644 [0,0,0,0,0,0|3,0,0]=3 38 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_100000185465_200025704644 [0,0,0,0,0,0|3,0,0]=3 39 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185465 [0,0,0,0,0,0|3,0,0]=3 40 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 34a_100012001710_200025704644 [0,0,0,0,0,0|4,0,0]=4 41 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 7a_100012001710_200025704644 [0,0,0,0,0,0|4,0,0]=4 42 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_100000686046_200025704644 [0,0,0,0,0,0|4,0,0]=4 43 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100000686046 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_100000684857_200025704644 [0,0,0,0,0,0|4,0,0]=4 45 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000684857 [0,0,0,0,0,0|4,0,0]=4 46 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 2230a_100011216399_200025704644 [0,0,0,0,0,0|3,0,1]=4 47 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 34a_100011216399_200025704644 [0,0,0,0,0,0|3,0,1]=4 48 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 34a_100000754508_200025704644 [0,0,0,0,0,0|3,0,1]=4 49 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 7a_100000754508_200025704644 [0,0,0,0,0,0|3,0,1]=4 50 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_100000745893_200025704644 [0,0,0,0,0,0|3,0,1]=4 51 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000745893 [0,0,0,0,0,0|3,0,1]=4 52 B11R1.3 CCc1ccc(cc1)C(=O)C 1458a_100000211226_200000210301 [0,0,0,0,0,0|3,0,0]=3 53 B11R1.3 CCc1ccc(cc1)C(=O)[13CH3] 1458a_100000211226_200025704644 [0,0,0,0,0,0|3,0,0]=3 54 B11R1.3 CNc1ccc(cc1)C(=O)N 27a_100102657272_100000162191 [0,0,0,0,0,0|3,0,0]=3 55 B11R1.3 CNc1ccc(cc1)C(=O)N 34a_100000210537_200000210301 [0,0,0,0,0,0|3,0,0]=3 56 B11R1.3 CNc1ccc(cc1)C(C)O 2230a_100011216399_200000210301 [0,0,0,0,0,0|3,0,1]=4 57 B11R1.3 CNc1ccc(cc1)C(C)O 34a_100011216399_200000210301 [0,0,0,0,0,0|3,0,1]=4 58 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200000210301 [0,0,0,0,0,0|3,0,1]=4 59 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200000210301 [0,0,0,0,0,0|3,0,1]=4 60 B11R1.3 CNc1ccc(cn1)C(=O)C 27a_100102657272_100000690552 [0,0,0,0,0,0|4,0,0]=4 61 B11R1.3 CNc1ccc(cn1)C(=O)N 27a_100102657272_100000162237 [0,0,0,0,0,0|4,0,0]=4 62 B11R1.3 COc1ccc(cc1)C(=O)C 1458a_100000184203_200000210301 [0,0,0,0,0,0|3,0,0]=3 63 B11R1.3 COc1ccc(cc1)C(=O)C 34a_100000185113_200000210301 [0,0,0,0,0,0|3,0,0]=3 64 B11R1.3 COc1ccc(cc1)C(=O)C 7a_100000185113_200000210301 [0,0,0,0,0,0|3,0,0]=3 65 B11R1.3 COc1ccc(cc1)C(=O)N 34a_100000746352_200000210301 [0,0,0,0,0,0|3,0,0]=3 66 B11R1.3 COc1ccc(cc1)C(=O)N 7a_100000746352_200000210301 [0,0,0,0,0,0|3,0,0]=3 67 B11R1.3 COc1ccc(cc1)C(=O)[13CH3] 1458a_100000184203_200025704644 [0,0,0,0,0,0|3,0,0]=3 68 B11R1.3 COc1ccc(cc1)C(C)O 34a_100000754508_200000210301 [0,0,0,0,0,0|3,0,1]=4 69 B11R1.3 COc1ccc(cc1)C(C)O 7a_100000754508_200000210301 [0,0,0,0,0,0|3,0,1]=4 70 B11R1.3 COc1ccc(cc1)S(=O)C 34a_200000064373_200000210301 [0,0,0,0,0,0|4,0,0]=4 71 B11R1.3 COc1ccc(cc1)S(=O)C 7a_200000064373_200000210301 [0,0,0,0,0,0|4,0,0]=4 72 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200000210301 [0,0,0,0,0,0|3,0,1]=4 73 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200000210301 [0,0,0,0,0,0|3,0,1]=4 74 B11R1.3 COc1ccc(nc1)C(=O)C 34a_100012001710_200000210301 [0,0,0,0,0,0|4,0,0]=4 75 B11R1.3 COc1ccc(nc1)C(=O)C 7a_100012001710_200000210301 [0,0,0,0,0,0|4,0,0]=4 76 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 34a_200000064373_200025704644 [0,0,0,0,0,0|4,0,0]=4 77 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 7a_200000064373_200025704644 [0,0,0,0,0,0|4,0,0]=4 78 B11R1.3 CS(=O)c1ccc(cc1)S[13CH3] 62a_100009816266_200025704644 [0,0,0,0,0,0|4,0,0]=4 79 B11R1.3 CSc1ccc(cc1)B(O)O 62a_100000754493_200000210301 [0,0,0,0,0,0|3,0,1]=4 80 B11R1.3 CSc1ccc(cc1)B(O)O 62a_200000210301_100000754493 [0,0,0,0,0,0|3,0,1]=4 81 B11R1.3 CSc1ccc(cc1)C(=O)C 1458a_100000189692_200000210301 [0,0,0,0,0,0|3,0,0]=3 82 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_100000185465_200000210301 [0,0,0,0,0,0|3,0,0]=3 83 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_200000210301_100000185465 [0,0,0,0,0,0|3,0,0]=3 84 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_100000162191_200000210301 [0,0,0,0,0,0|3,0,0]=3 85 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_200000210301_100000162191 [0,0,0,0,0,0|3,0,0]=3 86 B11R1.3 CSc1ccc(cc1)C(=O)[13CH3] 1458a_100000189692_200025704644 [0,0,0,0,0,0|3,0,0]=3 87 B11R1.3 CSc1ccc(cc1)C(C)O 62a_100000745893_200000210301 [0,0,0,0,0,0|3,0,1]=4 88 B11R1.3 CSc1ccc(cc1)C(C)O 62a_200000210301_100000745893 [0,0,0,0,0,0|3,0,1]=4 89 B11R1.3 CSc1ccc(cc1)S(=O)C 62a_100009816266_200000210301 [0,0,0,0,0,0|4,0,0]=4 90 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_100000684857_200000210301 [0,0,0,0,0,0|4,0,0]=4 91 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_200000210301_100000684857 [0,0,0,0,0,0|4,0,0]=4 92 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_100000162237_200000210301 [0,0,0,0,0,0|4,0,0]=4 93 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_200000210301_100000162237 [0,0,0,0,0,0|4,0,0]=4 94 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_100000686046_200000210301 [0,0,0,0,0,0|4,0,0]=4 95 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_200000210301_100000686046 [0,0,0,0,0,0|4,0,0]=4 96 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_100011219284_200000210301 [0,0,0,0,0,0|4,0,0]=4 97 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_200000210301_100011219284 [0,0,0,0,0,0|4,0,0]=4 98 B11R1.3 [13CH3]C(=O)c1ccc(cc1)C#N 1458a_100000210717_200025704644 [0,0,0,0,0,0|3,0,0]=3 99 B11R1.3 [13CH3]C(=O)c1ccc(cc1)CO 1458a_100000183892_200025704644 [0,0,0,0,0,0|2,0,0]=2 100 B11R1.3 [13CH3]Nc1ccc(cc1)C(=O)N 34a_100000210537_200025704644 [0,0,0,0,0,0|3,0,0]=3 101 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200025704644 [0,0,0,0,0,0|3,0,1]=4 102 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200025704644 [0,0,0,0,0,0|3,0,1]=4 103 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 34a_100000746352_200025704644 [0,0,0,0,0,0|3,0,0]=3 104 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 7a_100000746352_200025704644 [0,0,0,0,0,0|3,0,0]=3 105 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200025704644 [0,0,0,0,0,0|3,0,1]=4 106 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200025704644 [0,0,0,0,0,0|3,0,1]=4 107 B11R1.3 [13CH3]Sc1ccc(cc1)B(O)O 62a_100000754493_200025704644 [0,0,0,0,0,0|3,0,1]=4 108 B11R1.3 [13CH3]Sc1ccc(cc1)B(O)O 62a_200025704644_100000754493 [0,0,0,0,0,0|3,0,1]=4 109 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_100000162191_200025704644 [0,0,0,0,0,0|3,0,0]=3 110 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_200025704644_100000162191 [0,0,0,0,0,0|3,0,0]=3 111 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_100000162237_200025704644 [0,0,0,0,0,0|4,0,0]=4 112 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_200025704644_100000162237 [0,0,0,0,0,0|4,0,0]=4 113 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_100011219284_200025704644 [0,0,0,0,0,0|4,0,0]=4 114 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_200025704644_100011219284 [0,0,0,0,0,0|4,0,0]=4 115 B10R1.3 C=Cc1ccc(cc1)C#N 271570a_100011290941_100000179745 [1,0,0,0,0,0|3,0,0]=4 116 B10R1.3 C=Cc1ccc(cc1)C=O 271570a_100011290941_100000186029 [1,0,0,0,0,0|2,0,0]=3 117 B10R1.3 C=Cc1ccc(cc1)CC 271570a_100011290941_100011215824 [1,0,0,0,0,0|3,0,0]=4 118 B10R1.3 C=Cc1ccc(cc1)CF 271570a_100011290941_100010268989 [1,0,0,0,0,0|3,0,0]=4 119 B10R1.3 C=Cc1ccc(cc1)CN 271570a_100011290941_100016989417 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.3 C=Cc1ccc(cc1)CO 271570a_100011290941_100000690907 [1,0,0,0,0,0|2,0,0]=3 121 B10R1.3 C=Cc1ccc(cc1)NC 271570a_100011290941_100000219623 [1,0,0,0,0,0|3,0,0]=4 122 B10R1.3 C=Cc1ccc(cc1)NC 34a_100011218248_200000210301 [1,0,0,0,0,0|3,0,0]=4 123 B10R1.3 C=Cc1ccc(cc1)NN 271570a_100011290941_100016988836 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.3 C=Cc1ccc(cc1)N[13CH3] 34a_100011218248_200025704644 [1,0,0,0,0,0|3,0,0]=4 125 B10R1.3 C=Cc1ccc(cc1)OC 271570a_100011290941_100000171711 [1,0,0,0,0,0|3,0,0]=4 126 B10R1.3 C=Cc1ccc(cc1)OC 34a_100000189437_200000210301 [1,0,0,0,0,0|3,0,0]=4 127 B10R1.3 C=Cc1ccc(cc1)OC 7a_100000189437_200000210301 [1,0,0,0,0,0|3,0,0]=4 128 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 34a_100000189437_200025704644 [1,0,0,0,0,0|3,0,0]=4 129 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 7a_100000189437_200025704644 [1,0,0,0,0,0|3,0,0]=4 130 B10R1.3 C=Cc1ccc(cc1)SC 271570a_100011290941_100011263217 [1,0,0,0,0,0|3,0,0]=4 131 B10R1.3 C=Cc1ccc(cc1)SC 62a_100000748128_200000210301 [1,0,0,0,0,0|3,0,0]=4 132 B10R1.3 C=Cc1ccc(cc1)SC 62a_200000210301_100000748128 [1,0,0,0,0,0|3,0,0]=4 133 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_100000748128_200025704644 [1,0,0,0,0,0|3,0,0]=4 134 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000748128 [1,0,0,0,0,0|3,0,0]=4 135 B10R1.3 C=Cc1ccc(cn1)C=O 271570a_100011290941_100000766901 [1,0,0,0,0,0|3,0,0]=4 136 B10R1.3 C=Cc1ccc(cn1)CO 271570a_100011290941_100009816760 [1,0,0,0,0,0|3,0,0]=4 137 B10R1.3 C=Cc1ccc(nc1)C=O 271570a_100011290941_100000754260 [1,0,0,0,0,0|3,0,0]=4 138 B10R1.3 C=Cc1ccc(nc1)CO 271570a_100011290941_100000754261 [1,0,0,0,0,0|3,0,0]=4 139 B10R1.3 CNc1ccc(cc1)CO 2230a_100011215238_200000210301 [1,0,0,0,0,0|2,0,1]=4 140 B10R1.3 CNc1ccc(cc1)CO 34a_100011215238_200000210301 [1,0,0,0,0,0|2,0,1]=4 141 B10R1.3 COc1ccc(cc1)CO 34a_100000211755_200000210301 [1,0,0,0,0,0|2,0,1]=4 142 B10R1.3 CSc1ccc(cc1)C=O 62a_100000188517_200000210301 [1,0,0,0,0,0|2,0,0]=3 143 B10R1.3 CSc1ccc(cc1)C=O 62a_200000210301_100000188517 [1,0,0,0,0,0|2,0,0]=3 144 B10R1.3 CSc1ccc(cc1)CO 62a_100000690907_200000210301 [1,0,0,0,0,0|2,0,1]=4 145 B10R1.3 CSc1ccc(cc1)CO 62a_200000210301_100000690907 [1,0,0,0,0,0|2,0,1]=4 146 B10R1.3 CSc1ccc(cn1)C=O 62a_100000766901_200000210301 [1,0,0,0,0,0|3,0,0]=4 147 B10R1.3 CSc1ccc(cn1)C=O 62a_200000210301_100000766901 [1,0,0,0,0,0|3,0,0]=4 148 B10R1.3 CSc1ccc(nc1)C=O 62a_100000754260_200000210301 [1,0,0,0,0,0|3,0,0]=4 149 B10R1.3 CSc1ccc(nc1)C=O 62a_200000210301_100000754260 [1,0,0,0,0,0|3,0,0]=4 150 B10R1.3 [13CH3]Nc1ccc(cc1)CO 2230a_100011215238_200025704644 [1,0,0,0,0,0|2,0,1]=4 151 B10R1.3 [13CH3]Nc1ccc(cc1)CO 34a_100011215238_200025704644 [1,0,0,0,0,0|2,0,1]=4 152 B10R1.3 [13CH3]Oc1ccc(cc1)CO 34a_100000211755_200025704644 [1,0,0,0,0,0|2,0,1]=4 153 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_100000188517_200025704644 [1,0,0,0,0,0|2,0,0]=3 154 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_200025704644_100000188517 [1,0,0,0,0,0|2,0,0]=3 155 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_100000690907_200025704644 [1,0,0,0,0,0|2,0,1]=4 156 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_200025704644_100000690907 [1,0,0,0,0,0|2,0,1]=4 157 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_100000766901_200025704644 [1,0,0,0,0,0|3,0,0]=4 158 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_200025704644_100000766901 [1,0,0,0,0,0|3,0,0]=4 159 B10R1.3 [13CH3]Sc1ccc(nc1)C=O 62a_100000754260_200025704644 [1,0,0,0,0,0|3,0,0]=4 160 B10R1.3 [13CH3]Sc1ccc(nc1)C=O 62a_200025704644_100000754260 [1,0,0,0,0,0|3,0,0]=4 161 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [1,0,0,0,0,0|3,0,0]=4 162 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [1,0,0,0,0,0|3,0,0]=4 163 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [1,0,0,0,0,0|3,0,0]=4 164 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [1,0,0,0,0,0|3,0,0]=4 165 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [1,0,0,0,0,0|3,0,0]=4 166 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [1,0,0,0,0,0|2,0,0]=3 167 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [1,0,0,0,0,0|2,0,0]=3 168 B10R1.13 C=C(C)c1ccc(cn1)O 271570a_100000694244_100000685995 [1,0,0,0,0,0|3,0,0]=4 169 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [1,0,0,0,0,0|2,0,0]=3 170 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [1,0,0,0,0,0|2,0,0]=3 171 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [1,0,0,0,0,0|2,0,0]=3 172 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [1,0,0,0,0,0|2,0,0]=3 173 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [1,0,0,0,0,0|2,0,0]=3 174 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [1,0,0,0,0,0|1,0,0]=2 175 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [1,0,0,0,0,0|1,0,0]=2 176 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [1,0,0,0,0,0|2,0,0]=3 177 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [1,0,0,0,0,0|2,0,0]=3 178 B10R1.13 CC(=O)c1cnc(cn1)O 271570a_203496583355_100009883172 [1,0,0,0,0,0|3,0,0]=4 179 B10R1.13 CC(=O)c1cnc(nc1)O 271570a_203496583355_100000099681 [1,0,0,0,0,0|3,0,0]=4 180 B10R1.13 CC(=O)c1ncc(cn1)O 271570a_203496583355_100010077182 [1,0,0,0,0,0|3,0,0]=4 181 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [1,0,0,0,0,0|2,0,1]=4 182 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [1,0,0,0,0,0|1,0,1]=3 183 B10R1.13 CC(O)c1ccc(cn1)O 271570a_203496583355_100012353650 [1,0,0,0,0,0|2,0,1]=4 184 B10R1.13 CC(O)c1ccc(nc1)O 271570a_203496583355_200010274204 [1,0,0,0,0,0|2,0,1]=4 185 B10R1.13 CN(C)c1ccc(cc1)O 269982a_100000182112_200000210301 [1,0,0,0,0,0|3,0,0]=4 186 B10R1.13 CN(C)c1ccc(cc1)O 271570a_203496583355_100000210421 [1,0,0,0,0,0|3,0,0]=4 187 B10R1.13 CN(C)c1ccc(cc1)O 34a_100000182112_200000210301 [1,0,0,0,0,0|3,0,0]=4 188 B10R1.13 CN([13CH3])c1ccc(cc1)O 269982a_100000182112_200025704644 [1,0,0,0,0,0|3,0,0]=4 189 B10R1.13 CN([13CH3])c1ccc(cc1)O 34a_100000182112_200025704644 [1,0,0,0,0,0|3,0,0]=4 190 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [1,0,0,0,0,0|2,0,0]=3 191 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [1,0,0,0,0,0|2,0,1]=4 192 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [1,0,0,0,0,0|2,0,1]=4 193 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [1,0,0,0,0,0|2,0,0]=3 194 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [1,0,0,0,0,0|1,0,0]=2 195 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [1,0,0,0,0,0|2,0,0]=3 196 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [1,0,0,0,0,0|2,0,0]=3 197 B10R1.13 NC(=O)c1ccc(nn1)O 271570a_203496583355_100000761398 [1,0,0,0,0,0|3,0,0]=4 198 B10R1.13 NC(=O)c1cnc(cn1)O 271570a_203496583355_100000738300 [1,0,0,0,0,0|3,0,0]=4 199 B10R1.13 NC(=O)c1ncc(cn1)O 271570a_203496583355_100009996756 [1,0,0,0,0,0|3,0,0]=4 200 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [1,0,0,0,0,0|1,0,1]=3 201 B10R1.13 OB(O)c1ccc(cn1)O 271570a_203496583355_200010198023 [1,0,0,0,0,0|2,0,1]=4 202 B10R1.13 OB(O)c1ccc(nc1)O 271570a_203496583355_100000688115 [1,0,0,0,0,0|2,0,1]=4 203 B10R1.13 Oc1ccc(cc1)C(F)F 271570a_203496583355_100010189923 [1,0,0,0,0,0|2,0,1]=4 204 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [1,0,0,0,0,0|2,0,0]=3 205 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [1,0,0,0,0,0|2,0,0]=3 206 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [1,0,0,0,0,0|2,0,0]=3 207 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [1,0,0,0,0,0|2,0,0]=3 208 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [1,0,0,0,0,0|1,0,0]=2 209 B12R1.5 C#Cc1ccc(cc1)C(=O)CC 1458a_100011217615_100000210202 [0,1,0,0,0,0|3,0,0]=4 210 B12R1.5 C#Cc1ccc(cc1)C(=O)CF 1458a_100011217615_100015361967 [0,1,0,0,0,0|3,0,0]=4 211 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 11a_106832991635_100011217615 [0,1,0,0,0,0|3,0,0]=4 212 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 1626a_100102657272_100011217615 [0,1,0,0,0,0|3,0,0]=4 213 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 240690a_100102657272_100011217615 [0,1,0,0,0,0|3,0,0]=4 214 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 527a_100102657272_100011217615 [0,1,0,0,0,0|3,0,0]=4 215 B12R1.5 C=Cc1ccc(cc1)C(=O)C#N 271570a_100011290941_100009994572 [0,1,0,0,0,0|3,0,0]=4 216 B12R1.5 C=Cc1ccc(cc1)C(=O)C=O 271570a_100011290941_100000725942 [0,1,0,0,0,0|2,0,1]=4 217 B12R1.5 C=Cc1ccc(cc1)C(=O)CC 1458a_100000687532_100000210202 [0,1,0,0,0,0|3,0,0]=4 218 B12R1.5 C=Cc1ccc(cc1)C(=O)CC 271570a_100011290941_100000211647 [0,1,0,0,0,0|3,0,0]=4 219 B12R1.5 C=Cc1ccc(cc1)C(=O)CF 1458a_100000687532_100015361967 [0,1,0,0,0,0|3,0,0]=4 220 B12R1.5 C=Cc1ccc(cc1)C(=O)CN 271570a_100011290941_100000017248 [0,1,0,0,0,0|3,0,0]=4 221 B12R1.5 C=Cc1ccc(cc1)C(=O)CO 271570a_100011290941_100011219529 [0,1,0,0,0,0|2,0,0]=3 222 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 11a_106832991635_100000687532 [0,1,0,0,0,0|3,0,0]=4 223 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 1626a_100102657272_100000687532 [0,1,0,0,0,0|3,0,0]=4 224 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 240690a_100102657272_100000687532 [0,1,0,0,0,0|3,0,0]=4 225 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 271570a_100011290941_100000155074 [0,1,0,0,0,0|3,0,0]=4 226 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 527a_100102657272_100000687532 [0,1,0,0,0,0|3,0,0]=4 227 B12R1.5 C=Cc1ccc(cc1)C(=O)NN 271570a_100011290941_100000183614 [0,1,0,0,0,0|3,0,0]=4 228 B12R1.5 C=Cc1ccc(cc1)C(=O)OC 271570a_100011290941_100000150774 [0,1,0,0,0,0|2,0,0]=3 229 B12R1.5 C=Cc1ccc(cn1)C(=O)OC 271570a_100011290941_100000733799 [0,1,0,0,0,0|3,0,0]=4 230 B12R1.5 C=Cc1ccc(nc1)C(=O)OC 271570a_100011290941_100000690920 [0,1,0,0,0,0|3,0,0]=4 231 B12R1.5 CC(=NO)c1ccc(cc1)O[13CH3] 34a_100000164205_200025704644 [0,1,0,0,0,0|3,0,0]=4 232 B12R1.5 CCC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000210202 [0,1,0,0,0,0|3,0,0]=4 233 B12R1.5 CCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000210202 [0,1,0,0,0,0|3,0,0]=4 234 B12R1.5 CCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210202 [0,1,0,0,0,0|2,0,0]=3 235 B12R1.5 CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210202 [0,1,0,0,0,0|3,0,0]=4 236 B12R1.5 CCC(=O)c1ccc(cc1)OC 34a_100000212119_200000210301 [0,1,0,0,0,0|3,0,0]=4 237 B12R1.5 CCC(=O)c1ccc(cc1)OC 7a_100000212119_200000210301 [0,1,0,0,0,0|3,0,0]=4 238 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 34a_100000212119_200025704644 [0,1,0,0,0,0|3,0,0]=4 239 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 7a_100000212119_200025704644 [0,1,0,0,0,0|3,0,0]=4 240 B12R1.5 CCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000210202 [0,1,0,0,0,0|3,0,0]=4 241 B12R1.5 CCC(=O)c1ccc(cc1)SC 62a_100000211647_200000210301 [0,1,0,0,0,0|3,0,0]=4 242 B12R1.5 CCC(=O)c1ccc(cc1)SC 62a_200000210301_100000211647 [0,1,0,0,0,0|3,0,0]=4 243 B12R1.5 CCC(=O)c1ccc(cc1)S[13CH3] 62a_100000211647_200025704644 [0,1,0,0,0,0|3,0,0]=4 244 B12R1.5 CCC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000211647 [0,1,0,0,0,0|3,0,0]=4 245 B12R1.5 CCc1ccc(cc1)C(=O)CF 1458a_100000211226_100015361967 [0,1,0,0,0,0|3,0,0]=4 246 B12R1.5 CCc1ccc(cc1)C(=O)NC 11a_106832991635_100000211226 [0,1,0,0,0,0|3,0,0]=4 247 B12R1.5 CCc1ccc(cc1)C(=O)NC 1626a_100102657272_100000211226 [0,1,0,0,0,0|3,0,0]=4 248 B12R1.5 CCc1ccc(cc1)C(=O)NC 240690a_100102657272_100000211226 [0,1,0,0,0,0|3,0,0]=4 249 B12R1.5 CCc1ccc(cc1)C(=O)NC 527a_100102657272_100000211226 [0,1,0,0,0,0|3,0,0]=4 250 B12R1.5 CNC(=O)c1ccc(cc1)C#N 11a_106832991635_100000210717 [0,1,0,0,0,0|3,0,0]=4 251 B12R1.5 CNC(=O)c1ccc(cc1)C#N 1626a_100102657272_100000210717 [0,1,0,0,0,0|3,0,0]=4 252 B12R1.5 CNC(=O)c1ccc(cc1)C#N 240690a_100102657272_100000210717 [0,1,0,0,0,0|3,0,0]=4 253 B12R1.5 CNC(=O)c1ccc(cc1)C#N 527a_100102657272_100000210717 [0,1,0,0,0,0|3,0,0]=4 254 B12R1.5 CNC(=O)c1ccc(cc1)CO 1626a_100102657272_100000183892 [0,1,0,0,0,0|2,0,0]=3 255 B12R1.5 CNC(=O)c1ccc(cc1)CO 240690a_100102657272_100000183892 [0,1,0,0,0,0|2,0,0]=3 256 B12R1.5 CNC(=O)c1ccc(cc1)NC 2230a_100000184841_200000210301 [0,1,0,0,0,0|3,0,0]=4 257 B12R1.5 CNC(=O)c1ccc(cc1)NC 27a_100102657272_100000155074 [0,1,0,0,0,0|3,0,0]=4 258 B12R1.5 CNC(=O)c1ccc(cc1)NC 34a_100000184841_200000210301 [0,1,0,0,0,0|3,0,0]=4 259 B12R1.5 CNC(=O)c1ccc(cc1)N[13CH3] 2230a_100000184841_200025704644 [0,1,0,0,0,0|3,0,0]=4 260 B12R1.5 CNC(=O)c1ccc(cc1)N[13CH3] 34a_100000184841_200025704644 [0,1,0,0,0,0|3,0,0]=4 261 B12R1.5 CNC(=O)c1ccc(cc1)OC 11a_106832991635_100000184203 [0,1,0,0,0,0|3,0,0]=4 262 B12R1.5 CNC(=O)c1ccc(cc1)OC 1626a_100102657272_100000184203 [0,1,0,0,0,0|3,0,0]=4 263 B12R1.5 CNC(=O)c1ccc(cc1)OC 240690a_100102657272_100000184203 [0,1,0,0,0,0|3,0,0]=4 264 B12R1.5 CNC(=O)c1ccc(cc1)OC 34a_100000192141_200000210301 [0,1,0,0,0,0|3,0,0]=4 265 B12R1.5 CNC(=O)c1ccc(cc1)OC 527a_100102657272_100000184203 [0,1,0,0,0,0|3,0,0]=4 266 B12R1.5 CNC(=O)c1ccc(cc1)OC 7a_100000192141_200000210301 [0,1,0,0,0,0|3,0,0]=4 267 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 34a_100000192141_200025704644 [0,1,0,0,0,0|3,0,0]=4 268 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 7a_100000192141_200025704644 [0,1,0,0,0,0|3,0,0]=4 269 B12R1.5 CNC(=O)c1ccc(cc1)SC 11a_106832991635_100000189692 [0,1,0,0,0,0|3,0,0]=4 270 B12R1.5 CNC(=O)c1ccc(cc1)SC 1626a_100102657272_100000189692 [0,1,0,0,0,0|3,0,0]=4 271 B12R1.5 CNC(=O)c1ccc(cc1)SC 240690a_100102657272_100000189692 [0,1,0,0,0,0|3,0,0]=4 272 B12R1.5 CNC(=O)c1ccc(cc1)SC 527a_100102657272_100000189692 [0,1,0,0,0,0|3,0,0]=4 273 B12R1.5 CNC(=O)c1ccc(cc1)SC 62a_100000155074_200000210301 [0,1,0,0,0,0|3,0,0]=4 274 B12R1.5 CNC(=O)c1ccc(cc1)SC 62a_200000210301_100000155074 [0,1,0,0,0,0|3,0,0]=4 275 B12R1.5 CNC(=O)c1ccc(cc1)S[13CH3] 62a_100000155074_200025704644 [0,1,0,0,0,0|3,0,0]=4 276 B12R1.5 CNC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000155074 [0,1,0,0,0,0|3,0,0]=4 277 B12R1.5 CNc1ccc(cc1)C(=O)NN 27a_100102657272_100000183614 [0,1,0,0,0,0|3,0,0]=4 278 B12R1.5 CNc1ccc(cn1)C(=O)OC 27a_100102657272_100000733799 [0,1,0,0,0,0|3,0,0]=4 279 B12R1.5 COC(=O)c1ccc(cc1)OC 34a_100000150123_200000210301 [0,1,0,0,0,0|2,0,0]=3 280 B12R1.5 COC(=O)c1ccc(cc1)OC 7a_100000150123_200000210301 [0,1,0,0,0,0|2,0,0]=3 281 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 34a_100000150123_200025704644 [0,1,0,0,0,0|2,0,0]=3 282 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 7a_100000150123_200025704644 [0,1,0,0,0,0|2,0,0]=3 283 B12R1.5 COC(=O)c1ccc(cc1)SC 62a_100000150774_200000210301 [0,1,0,0,0,0|2,0,0]=3 284 B12R1.5 COC(=O)c1ccc(cc1)SC 62a_200000210301_100000150774 [0,1,0,0,0,0|2,0,0]=3 285 B12R1.5 COC(=O)c1ccc(cc1)S[13CH3] 62a_100000150774_200025704644 [0,1,0,0,0,0|2,0,0]=3 286 B12R1.5 COC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000150774 [0,1,0,0,0,0|2,0,0]=3 287 B12R1.5 COC(=O)c1ccc(cn1)OC 34a_100011997255_200000210301 [0,1,0,0,0,0|3,0,0]=4 288 B12R1.5 COC(=O)c1ccc(cn1)OC 7a_100011997255_200000210301 [0,1,0,0,0,0|3,0,0]=4 289 B12R1.5 COC(=O)c1ccc(cn1)O[13CH3] 34a_100011997255_200025704644 [0,1,0,0,0,0|3,0,0]=4 290 B12R1.5 COC(=O)c1ccc(cn1)O[13CH3] 7a_100011997255_200025704644 [0,1,0,0,0,0|3,0,0]=4 291 B12R1.5 COC(=O)c1ccc(cn1)SC 62a_100102712061_200000210301 [0,1,0,0,0,0|3,0,0]=4 292 B12R1.5 COC(=O)c1ccc(cn1)SC 62a_200000210301_100102712061 [0,1,0,0,0,0|3,0,0]=4 293 B12R1.5 COC(=O)c1ccc(cn1)S[13CH3] 62a_100102712061_200025704644 [0,1,0,0,0,0|3,0,0]=4 294 B12R1.5 COC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100102712061 [0,1,0,0,0,0|3,0,0]=4 295 B12R1.5 COC(=O)c1ccc(nc1)SC 62a_100000733799_200000210301 [0,1,0,0,0,0|3,0,0]=4 296 B12R1.5 COC(=O)c1ccc(nc1)SC 62a_200000210301_100000733799 [0,1,0,0,0,0|3,0,0]=4 297 B12R1.5 COC(=O)c1ccc(nc1)S[13CH3] 62a_100000733799_200025704644 [0,1,0,0,0,0|3,0,0]=4 298 B12R1.5 COC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000733799 [0,1,0,0,0,0|3,0,0]=4 299 B12R1.5 COc1ccc(cc1)C(=NO)C 34a_100000164205_200000210301 [0,1,0,0,0,0|3,0,0]=4 300 B12R1.5 COc1ccc(cc1)C(=NO)N 34a_100000231063_200000210301 [0,1,0,0,0,0|3,0,0]=4 301 B12R1.5 COc1ccc(cc1)C(=O)CBr 7a_100009814261_200000210301 [0,1,0,0,0,0|3,0,0]=4 302 B12R1.5 COc1ccc(cc1)C(=O)CCl 7a_100000018856_200000210301 [0,1,0,0,0,0|3,0,0]=4 303 B12R1.5 COc1ccc(cc1)C(=O)CF 1458a_100000184203_100015361967 [0,1,0,0,0,0|3,0,0]=4 304 B12R1.5 COc1ccc(cc1)C(=O)CF 34a_200010654591_200000210301 [0,1,0,0,0,0|3,0,0]=4 305 B12R1.5 COc1ccc(cc1)C(=O)CF 7a_200010654591_200000210301 [0,1,0,0,0,0|3,0,0]=4 306 B12R1.5 COc1ccc(cc1)C(=O)NN 34a_100000185078_200000210301 [0,1,0,0,0,0|3,0,0]=4 307 B12R1.5 CSc1ccc(cc1)C(=O)C#N 62a_200000210301_100009994572 [0,1,0,0,0,0|3,0,0]=4 308 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_100000725942_200000210301 [0,1,0,0,0,0|2,0,1]=4 309 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_200000210301_100000725942 [0,1,0,0,0,0|2,0,1]=4 310 B12R1.5 CSc1ccc(cc1)C(=O)CF 1458a_100000189692_100015361967 [0,1,0,0,0,0|3,0,0]=4 311 B12R1.5 CSc1ccc(cc1)C(=O)CN 62a_100000017248_200000210301 [0,1,0,0,0,0|3,0,0]=4 312 B12R1.5 CSc1ccc(cc1)C(=O)CN 62a_200000210301_100000017248 [0,1,0,0,0,0|3,0,0]=4 313 B12R1.5 CSc1ccc(cc1)C(=O)CO 62a_100011219529_200000210301 [0,1,0,0,0,0|2,0,0]=3 314 B12R1.5 CSc1ccc(cc1)C(=O)CO 62a_200000210301_100011219529 [0,1,0,0,0,0|2,0,0]=3 315 B12R1.5 CSc1ccc(cc1)C(=O)NN 62a_100000183614_200000210301 [0,1,0,0,0,0|3,0,0]=4 316 B12R1.5 CSc1ccc(cc1)C(=O)NN 62a_200000210301_100000183614 [0,1,0,0,0,0|3,0,0]=4 317 B12R1.5 N#Cc1ccc(cc1)C(=O)CF 1458a_100000210717_100015361967 [0,1,0,0,0,0|3,0,0]=4 318 B12R1.5 O=C(CF)c1ccc(cc1)CO 1458a_100000183892_100015361967 [0,1,0,0,0,0|2,0,0]=3 319 B12R1.5 [13CH3]Oc1ccc(cc1)C(=NO)N 34a_100000231063_200025704644 [0,1,0,0,0,0|3,0,0]=4 320 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CBr 7a_100009814261_200025704644 [0,1,0,0,0,0|3,0,0]=4 321 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CCl 7a_100000018856_200025704644 [0,1,0,0,0,0|3,0,0]=4 322 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CF 34a_200010654591_200025704644 [0,1,0,0,0,0|3,0,0]=4 323 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CF 7a_200010654591_200025704644 [0,1,0,0,0,0|3,0,0]=4 324 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)NN 34a_100000185078_200025704644 [0,1,0,0,0,0|3,0,0]=4 325 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C#N 62a_200025704644_100009994572 [0,1,0,0,0,0|3,0,0]=4 326 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_100000725942_200025704644 [0,1,0,0,0,0|2,0,1]=4 327 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_200025704644_100000725942 [0,1,0,0,0,0|2,0,1]=4 328 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CN 62a_100000017248_200025704644 [0,1,0,0,0,0|3,0,0]=4 329 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CN 62a_200025704644_100000017248 [0,1,0,0,0,0|3,0,0]=4 330 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CO 62a_100011219529_200025704644 [0,1,0,0,0,0|2,0,0]=3 331 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CO 62a_200025704644_100011219529 [0,1,0,0,0,0|2,0,0]=3 332 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)NN 62a_100000183614_200025704644 [0,1,0,0,0,0|3,0,0]=4 333 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)NN 62a_200025704644_100000183614 [0,1,0,0,0,0|3,0,0]=4 334 B12R1.48 C#Cc1ccc(cc1C)C(=O)C 1458a_100013243528_200000210301 [0,1,0,0,0,0|3,0,0]=4 335 B12R1.48 C#Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100013243528_200025704644 [0,1,0,0,0,0|3,0,0]=4 336 B12R1.48 C#Cc1ccc(cc1Cl)C(=O)C 1458a_100014797261_200000210301 [0,1,0,0,0,0|3,0,0]=4 337 B12R1.48 C#Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100014797261_200025704644 [0,1,0,0,0,0|3,0,0]=4 338 B12R1.48 C=C(C)c1ccc(c(c1)Br)CO 271570a_100000694244_100010240206 [0,1,0,0,0,0|3,0,0]=4 339 B12R1.48 C=C(C)c1ccc(c(c1)C)CO 271570a_100000694244_100000748258 [0,1,0,0,0,0|3,0,0]=4 340 B12R1.48 C=C(C)c1ccc(c(c1)F)CO 271570a_100000694244_100011191541 [0,1,0,0,0,0|3,0,0]=4 341 B12R1.48 C=C(C)c1ccc(c(c1)N)CO 271570a_100000694244_100000718831 [0,1,0,0,0,0|3,0,0]=4 342 B12R1.48 C=C(C)c1ccc(c(c1)O)CO 271570a_100000694244_100000071718 [0,1,0,0,0,0|3,0,0]=4 343 B12R1.48 C=Cc1ccc(cc1Br)C(=O)C 271570a_100011290941_100010146554 [0,1,0,0,0,0|3,0,0]=4 344 B12R1.48 C=Cc1ccc(cc1Br)C(=O)N 271570a_100011290941_100009814583 [0,1,0,0,0,0|3,0,0]=4 345 B12R1.48 C=Cc1ccc(cc1C)C(=O)C 271570a_100011290941_100000697869 [0,1,0,0,0,0|3,0,0]=4 346 B12R1.48 C=Cc1ccc(cc1C)C(=O)N 271570a_100011290941_100011218126 [0,1,0,0,0,0|3,0,0]=4 347 B12R1.48 C=Cc1ccc(cc1F)C(=O)C 271570a_100011290941_100000690002 [0,1,0,0,0,0|3,0,0]=4 348 B12R1.48 C=Cc1ccc(cc1F)C(=O)N 271570a_100011290941_100000686215 [0,1,0,0,0,0|3,0,0]=4 349 B12R1.48 C=Cc1ccc(cc1N)C(=O)C 271570a_100011290941_100009816534 [0,1,0,0,0,0|3,0,0]=4 350 B12R1.48 C=Cc1ccc(cc1O)C(=O)N 271570a_100011290941_100012344895 [0,1,0,0,0,0|3,0,0]=4 351 B12R1.48 CC(=O)c1ccc(c(c1)Br)C#N 1458a_100012355661_200000210301 [0,1,0,0,0,0|3,0,0]=4 352 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 34a_100011772453_200025704644 [0,1,0,0,0,0|3,0,0]=4 353 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100011772453_200025704644 [0,1,0,0,0,0|3,0,0]=4 354 B12R1.48 CC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_100010146554_200025704644 [0,1,0,0,0,0|3,0,0]=4 355 B12R1.48 CC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100010146554 [0,1,0,0,0,0|3,0,0]=4 356 B12R1.48 CC(=O)c1ccc(c(c1)C)C#N 1458a_100012180287_200000210301 [0,1,0,0,0,0|3,0,0]=4 357 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 34a_100000188726_200025704644 [0,1,0,0,0,0|3,0,0]=4 358 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 7a_100000188726_200025704644 [0,1,0,0,0,0|3,0,0]=4 359 B12R1.48 CC(=O)c1ccc(c(c1)C)S[13CH3] 62a_100000697869_200025704644 [0,1,0,0,0,0|3,0,0]=4 360 B12R1.48 CC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_100000697869 [0,1,0,0,0,0|3,0,0]=4 361 B12R1.48 CC(=O)c1ccc(c(c1)Cl)C#N 1458a_100000694585_200000210301 [0,1,0,0,0,0|3,0,0]=4 362 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100000188625_200025704644 [0,1,0,0,0,0|3,0,0]=4 363 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100000188625_200025704644 [0,1,0,0,0,0|3,0,0]=4 364 B12R1.48 CC(=O)c1ccc(c(c1)F)C#N 1458a_100011217213_200000210301 [0,1,0,0,0,0|3,0,0]=4 365 B12R1.48 CC(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200000210301 [0,1,0,0,0,0|2,0,0]=3 366 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000751691_200025704644 [0,1,0,0,0,0|3,0,0]=4 367 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000751691_200025704644 [0,1,0,0,0,0|3,0,0]=4 368 B12R1.48 CC(=O)c1ccc(c(c1)F)S[13CH3] 62a_100000690002_200025704644 [0,1,0,0,0,0|3,0,0]=4 369 B12R1.48 CC(=O)c1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000690002 [0,1,0,0,0,0|3,0,0]=4 370 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000117292_200025704644 [0,1,0,0,0,0|3,0,0]=4 371 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000117292_200025704644 [0,1,0,0,0,0|3,0,0]=4 372 B12R1.48 CC(=O)c1ccc(c(c1)N)S[13CH3] 62a_100009816534_200025704644 [0,1,0,0,0,0|3,0,0]=4 373 B12R1.48 CCc1ccc(cc1Br)C(=O)C 1458a_100012340589_200000210301 [0,1,0,0,0,0|3,0,0]=4 374 B12R1.48 CCc1ccc(cc1Br)C(=O)[13CH3] 1458a_100012340589_200025704644 [0,1,0,0,0,0|3,0,0]=4 375 B12R1.48 CCc1ccc(cc1O)C(=O)C 1458a_100000089006_200000210301 [0,1,0,0,0,0|3,0,0]=4 376 B12R1.48 CCc1ccc(cc1O)C(=O)[13CH3] 1458a_100000089006_200025704644 [0,1,0,0,0,0|3,0,0]=4 377 B12R1.48 CNc1ccc(cc1Br)C(=O)N 27a_100102657272_100009814583 [0,1,0,0,0,0|3,0,0]=4 378 B12R1.48 CNc1ccc(cc1C)C(=O)N 27a_100102657272_100011218126 [0,1,0,0,0,0|3,0,0]=4 379 B12R1.48 CNc1ccc(cc1C)C(=O)N 34a_100000746439_200000210301 [0,1,0,0,0,0|3,0,0]=4 380 B12R1.48 CNc1ccc(cc1C)C(=O)N 7a_100000746439_200000210301 [0,1,0,0,0,0|3,0,0]=4 381 B12R1.48 CNc1ccc(cc1F)C(=O)N 27a_100102657272_100000686215 [0,1,0,0,0,0|3,0,0]=4 382 B12R1.48 COc1ccc(cc1Br)C(=O)C 1458a_100000187947_200000210301 [0,1,0,0,0,0|3,0,0]=4 383 B12R1.48 COc1ccc(cc1Br)C(=O)C 34a_100011772453_200000210301 [0,1,0,0,0,0|3,0,0]=4 384 B12R1.48 COc1ccc(cc1Br)C(=O)C 7a_100011772453_200000210301 [0,1,0,0,0,0|3,0,0]=4 385 B12R1.48 COc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000187947_200025704644 [0,1,0,0,0,0|3,0,0]=4 386 B12R1.48 COc1ccc(cc1C)C(=O)C 1458a_100011202886_200000210301 [0,1,0,0,0,0|3,0,0]=4 387 B12R1.48 COc1ccc(cc1C)C(=O)C 34a_100000188726_200000210301 [0,1,0,0,0,0|3,0,0]=4 388 B12R1.48 COc1ccc(cc1C)C(=O)C 7a_100000188726_200000210301 [0,1,0,0,0,0|3,0,0]=4 389 B12R1.48 COc1ccc(cc1C)C(=O)[13CH3] 1458a_100011202886_200025704644 [0,1,0,0,0,0|3,0,0]=4 390 B12R1.48 COc1ccc(cc1Cl)C(=O)C 1458a_100000188346_200000210301 [0,1,0,0,0,0|3,0,0]=4 391 B12R1.48 COc1ccc(cc1Cl)C(=O)C 34a_100000188625_200000210301 [0,1,0,0,0,0|3,0,0]=4 392 B12R1.48 COc1ccc(cc1Cl)C(=O)C 7a_100000188625_200000210301 [0,1,0,0,0,0|3,0,0]=4 393 B12R1.48 COc1ccc(cc1Cl)C(=O)N 34a_200000192832_200000210301 [0,1,0,0,0,0|3,0,0]=4 394 B12R1.48 COc1ccc(cc1Cl)C(=O)N 7a_200000192832_200000210301 [0,1,0,0,0,0|3,0,0]=4 395 B12R1.48 COc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000188346_200025704644 [0,1,0,0,0,0|3,0,0]=4 396 B12R1.48 COc1ccc(cc1F)C(=O)C 1458a_100000186160_200000210301 [0,1,0,0,0,0|3,0,0]=4 397 B12R1.48 COc1ccc(cc1F)C(=O)C 34a_100000751691_200000210301 [0,1,0,0,0,0|3,0,0]=4 398 B12R1.48 COc1ccc(cc1F)C(=O)C 7a_100000751691_200000210301 [0,1,0,0,0,0|3,0,0]=4 399 B12R1.48 COc1ccc(cc1F)C(=O)[13CH3] 1458a_100000186160_200025704644 [0,1,0,0,0,0|3,0,0]=4 400 B12R1.48 COc1ccc(cc1I)C(=O)C 1458a_100000188716_200000210301 [0,1,0,0,0,0|3,0,0]=4 401 B12R1.48 COc1ccc(cc1I)C(=O)[13CH3] 1458a_100000188716_200025704644 [0,1,0,0,0,0|3,0,0]=4 402 B12R1.48 COc1ccc(cc1N)C(=O)C 34a_100000117292_200000210301 [0,1,0,0,0,0|3,0,0]=4 403 B12R1.48 COc1ccc(cc1N)C(=O)C 7a_100000117292_200000210301 [0,1,0,0,0,0|3,0,0]=4 404 B12R1.48 COc1ccc(cc1O)C(=O)C 1458a_100000766810_200000210301 [0,1,0,0,0,0|3,0,0]=4 405 B12R1.48 COc1ccc(cc1O)C(=O)C 271570a_203496583355_100000185153 [0,1,0,0,0,0|3,0,0]=4 406 B12R1.48 COc1ccc(cc1O)C(=O)[13CH3] 1458a_100000766810_200025704644 [0,1,0,0,0,0|3,0,0]=4 407 B12R1.48 CSc1ccc(cc1Br)C(=O)C 62a_100010146554_200000210301 [0,1,0,0,0,0|3,0,0]=4 408 B12R1.48 CSc1ccc(cc1Br)C(=O)C 62a_200000210301_100010146554 [0,1,0,0,0,0|3,0,0]=4 409 B12R1.48 CSc1ccc(cc1Br)C(=O)N 62a_100009814583_200000210301 [0,1,0,0,0,0|3,0,0]=4 410 B12R1.48 CSc1ccc(cc1Br)C(=O)N 62a_200000210301_100009814583 [0,1,0,0,0,0|3,0,0]=4 411 B12R1.48 CSc1ccc(cc1C)C(=O)C 62a_100000697869_200000210301 [0,1,0,0,0,0|3,0,0]=4 412 B12R1.48 CSc1ccc(cc1C)C(=O)C 62a_200000210301_100000697869 [0,1,0,0,0,0|3,0,0]=4 413 B12R1.48 CSc1ccc(cc1C)C(=O)N 62a_100011218126_200000210301 [0,1,0,0,0,0|3,0,0]=4 414 B12R1.48 CSc1ccc(cc1C)C(=O)N 62a_200000210301_100011218126 [0,1,0,0,0,0|3,0,0]=4 415 B12R1.48 CSc1ccc(cc1F)C(=O)C 62a_100000690002_200000210301 [0,1,0,0,0,0|3,0,0]=4 416 B12R1.48 CSc1ccc(cc1F)C(=O)C 62a_200000210301_100000690002 [0,1,0,0,0,0|3,0,0]=4 417 B12R1.48 CSc1ccc(cc1F)C(=O)N 62a_100000686215_200000210301 [0,1,0,0,0,0|3,0,0]=4 418 B12R1.48 CSc1ccc(cc1F)C(=O)N 62a_200000210301_100000686215 [0,1,0,0,0,0|3,0,0]=4 419 B12R1.48 CSc1ccc(cc1N)C(=O)C 62a_100009816534_200000210301 [0,1,0,0,0,0|3,0,0]=4 420 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_100012344895_200000210301 [0,1,0,0,0,0|3,0,0]=4 421 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_200000210301_100012344895 [0,1,0,0,0,0|3,0,0]=4 422 B12R1.48 Cc1cc(ccc1C#N)C(=O)[13CH3] 1458a_100012180287_200025704644 [0,1,0,0,0,0|3,0,0]=4 423 B12R1.48 Cc1cc(ccc1N[13CH3])C(=O)N 34a_100000746439_200025704644 [0,1,0,0,0,0|3,0,0]=4 424 B12R1.48 Cc1cc(ccc1N[13CH3])C(=O)N 7a_100000746439_200025704644 [0,1,0,0,0,0|3,0,0]=4 425 B12R1.48 Cc1cc(ccc1S[13CH3])C(=O)N 62a_100011218126_200025704644 [0,1,0,0,0,0|3,0,0]=4 426 B12R1.48 Cc1cc(ccc1S[13CH3])C(=O)N 62a_200025704644_100011218126 [0,1,0,0,0,0|3,0,0]=4 427 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)Br)C#N 1458a_100012355661_200025704644 [0,1,0,0,0,0|3,0,0]=4 428 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)Cl)C#N 1458a_100000694585_200025704644 [0,1,0,0,0,0|3,0,0]=4 429 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)F)C#N 1458a_100011217213_200025704644 [0,1,0,0,0,0|3,0,0]=4 430 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200025704644 [0,1,0,0,0,0|2,0,0]=3 431 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 34a_200000192832_200025704644 [0,1,0,0,0,0|3,0,0]=4 432 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 7a_200000192832_200025704644 [0,1,0,0,0,0|3,0,0]=4 433 B12R1.48 [13CH3]Sc1ccc(cc1Br)C(=O)N 62a_100009814583_200025704644 [0,1,0,0,0,0|3,0,0]=4 434 B12R1.48 [13CH3]Sc1ccc(cc1Br)C(=O)N 62a_200025704644_100009814583 [0,1,0,0,0,0|3,0,0]=4 435 B12R1.48 [13CH3]Sc1ccc(cc1F)C(=O)N 62a_100000686215_200025704644 [0,1,0,0,0,0|3,0,0]=4 436 B12R1.48 [13CH3]Sc1ccc(cc1F)C(=O)N 62a_200025704644_100000686215 [0,1,0,0,0,0|3,0,0]=4 437 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_100012344895_200025704644 [0,1,0,0,0,0|3,0,0]=4 438 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_200025704644_100012344895 [0,1,0,0,0,0|3,0,0]=4 439 B12R1.113 C=C(C)c1ccc(cc1)CCO 271570a_100000694244_100000766406 [0,1,0,0,0,0|3,0,0]=4 440 B12R1.113 C=C(C)c1ccc(cc1)COC 271570a_100000694244_100011493685 [0,1,0,0,0,0|3,0,0]=4 441 B12R1.113 C=C=Cc1ccc(cc1)C(=O)C 271570a_100015277604_100000185465 [0,1,0,0,0,0|3,0,0]=4 442 B12R1.113 C=C=Cc1ccc(cc1)C(=O)N 271570a_100015277604_100000162191 [0,1,0,0,0,0|3,0,0]=4 443 B12R1.113 CC#Cc1ccc(cc1)C(=O)C 1458a_100009923575_200000210301 [0,1,0,0,0,0|3,0,0]=4 444 B12R1.113 CC#Cc1ccc(cc1)C(=O)[13CH3] 1458a_100009923575_200025704644 [0,1,0,0,0,0|3,0,0]=4 445 B12R1.113 CC(=O)c1ccc(cc1)CC#N 1458a_100000693995_200000210301 [0,1,0,0,0,0|3,0,0]=4 446 B12R1.113 CC(=O)c1ccc(cc1)CCO 1458a_100000078963_200000210301 [0,1,0,0,0,0|2,0,0]=3 447 B12R1.113 CC(=O)c1ccc(cc1)CO[13CH3] 7a_100000082505_200025704644 [0,1,0,0,0,0|2,0,0]=3 448 B12R1.113 CC(=O)c1ccc(cc1)CS[13CH3] 62a_100000756337_200025704644 [0,1,0,0,0,0|2,1,0]=4 449 B12R1.113 CC(=O)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000756337 [0,1,0,0,0,0|2,1,0]=4 450 B12R1.113 CC(=O)c1ccc(cc1)N=[N+]=[N-] 1458a_100000039380_200000210301 [0,1,0,0,0,0|3,0,0]=4 451 B12R1.113 CC(=O)c1ccc(cc1)OCF 34a_100000185113_100015361967 [0,1,0,0,0,0|3,0,0]=4 452 B12R1.113 CC(=O)c1ccc(cc1)OCF 7a_100000185113_100015361967 [0,1,0,0,0,0|3,0,0]=4 453 B12R1.113 CC(=O)c1ccc(cc1)SCF 62a_100000185465_100015361967 [0,1,0,0,0,0|3,0,0]=4 454 B12R1.113 CC(=O)c1ccc(cc1)SCF 62a_100015361967_100000185465 [0,1,0,0,0,0|3,0,0]=4 455 B12R1.113 CC=Cc1ccc(cc1)C(=O)C 271570a_100016259895_100000185465 [0,1,0,0,0,0|3,0,0]=4 456 B12R1.113 CC=Cc1ccc(cc1)C(=O)N 271570a_100016259895_100000162191 [0,1,0,0,0,0|3,0,0]=4 457 B12R1.113 CCCc1ccc(cc1)C(=O)C 1458a_100011207308_200000210301 [0,1,0,0,0,0|3,0,0]=4 458 B12R1.113 CCCc1ccc(cc1)C(=O)[13CH3] 1458a_100011207308_200025704644 [0,1,0,0,0,0|3,0,0]=4 459 B12R1.113 CCNc1ccc(cc1)C(=O)N 27a_100015525214_100000162191 [0,1,0,0,0,0|3,0,0]=4 460 B12R1.113 CCNc1ccc(cc1)C(=O)N 34a_100000210537_100000210202 [0,1,0,0,0,0|3,0,0]=4 461 B12R1.113 CCOc1ccc(cc1)C(=O)C 1458a_100000181891_200000210301 [0,1,0,0,0,0|3,0,0]=4 462 B12R1.113 CCOc1ccc(cc1)C(=O)C 34a_100000185113_100000210202 [0,1,0,0,0,0|3,0,0]=4 463 B12R1.113 CCOc1ccc(cc1)C(=O)C 7a_100000185113_100000210202 [0,1,0,0,0,0|3,0,0]=4 464 B12R1.113 CCOc1ccc(cc1)C(=O)N 34a_100000746352_100000210202 [0,1,0,0,0,0|3,0,0]=4 465 B12R1.113 CCOc1ccc(cc1)C(=O)N 7a_100000746352_100000210202 [0,1,0,0,0,0|3,0,0]=4 466 B12R1.113 CCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000181891_200025704644 [0,1,0,0,0,0|3,0,0]=4 467 B12R1.113 CCSc1ccc(cc1)C(=O)C 1458a_100000244969_200000210301 [0,1,0,0,0,0|3,0,0]=4 468 B12R1.113 CCSc1ccc(cc1)C(=O)C 62a_100000185465_100000210202 [0,1,0,0,0,0|3,0,0]=4 469 B12R1.113 CCSc1ccc(cc1)C(=O)C 62a_100000210202_100000185465 [0,1,0,0,0,0|3,0,0]=4 470 B12R1.113 CCSc1ccc(cc1)C(=O)N 62a_100000162191_100000210202 [0,1,0,0,0,0|3,0,0]=4 471 B12R1.113 CCSc1ccc(cc1)C(=O)N 62a_100000210202_100000162191 [0,1,0,0,0,0|3,0,0]=4 472 B12R1.113 CCSc1ccc(cc1)C(=O)[13CH3] 1458a_100000244969_200025704644 [0,1,0,0,0,0|3,0,0]=4 473 B12R1.113 CNCc1ccc(cc1)C(=O)C 2230a_106832991635_100000756337 [0,1,0,0,0,0|3,0,0]=4 474 B12R1.113 CNCc1ccc(cc1)C(=O)C 26a_100102657272_100000185113 [0,1,0,0,0,0|3,0,0]=4 475 B12R1.113 CNCc1ccc(cc1)C(=O)C 34a_100102657272_100000756337 [0,1,0,0,0,0|3,0,0]=4 476 B12R1.113 CNCc1ccc(cc1)C(=O)C 7a_106832991635_100000756337 [0,1,0,0,0,0|3,0,0]=4 477 B12R1.113 CNCc1ccc(cc1)C(=O)N 207a_100102657272_100000038677 [0,1,0,0,0,0|3,0,0]=4 478 B12R1.113 CNCc1ccc(cc1)C(=O)N 2230a_106832991635_100000231043 [0,1,0,0,0,0|3,0,0]=4 479 B12R1.113 CNCc1ccc(cc1)C(=O)N 270004a_106832991635_100000038677 [0,1,0,0,0,0|3,0,0]=4 480 B12R1.113 CNCc1ccc(cc1)C(=O)N 34a_100102657272_100000231043 [0,1,0,0,0,0|3,0,0]=4 481 B12R1.113 CNCc1ccc(cc1)C(=O)N 7a_106832991635_100000231043 [0,1,0,0,0,0|3,0,0]=4 482 B12R1.113 CNCc1ccc(cc1)C(=O)O 269956a_100000181780_200000210301 [0,1,0,0,0,0|2,0,0]=3 483 B12R1.113 CNCc1ccc(cc1)C(=O)[O-] 26a_100102657272_100016998105 [0,1,0,0,0,0|2,0,1]=4 484 B12R1.113 CNCc1ccc(nc1)C(=O)O 269956a_100000762669_200000210301 [0,1,0,0,0,0|3,0,0]=4 485 B12R1.113 COCc1ccc(cc1)B(O)O 34a_100138415774_100009813762 [0,1,0,0,0,0|2,0,1]=4 486 B12R1.113 COCc1ccc(cc1)C(=O)C 1458a_100000189608_200000210301 [0,1,0,0,0,0|2,0,0]=3 487 B12R1.113 COCc1ccc(cc1)C(=O)C 34a_100138415774_100000756337 [0,1,0,0,0,0|2,0,0]=3 488 B12R1.113 COCc1ccc(cc1)C(=O)C 7a_100000082505_200000210301 [0,1,0,0,0,0|2,0,0]=3 489 B12R1.113 COCc1ccc(cc1)C(=O)N 34a_100000162016_200000210301 [0,1,0,0,0,0|2,0,0]=3 490 B12R1.113 COCc1ccc(cc1)C(=O)N 34a_100138415774_100000231043 [0,1,0,0,0,0|2,0,0]=3 491 B12R1.113 COCc1ccc(cc1)C(=O)N 7a_100000162016_200000210301 [0,1,0,0,0,0|2,0,0]=3 492 B12R1.113 COCc1ccc(cc1)C(=O)[13CH3] 1458a_100000189608_200025704644 [0,1,0,0,0,0|2,0,0]=3 493 B12R1.113 COCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_200000210301 [0,1,0,0,0,0|2,0,1]=4 494 B12R1.113 COCc1ccc(cc1)[N+](=O)[O-] 34a_100138415774_100000181861 [0,1,0,0,0,0|2,0,1]=4 495 B12R1.113 CSCc1ccc(cc1)C(=O)C 1458a_100000175442_200000210301 [0,1,0,0,0,0|2,1,0]=4 496 B12R1.113 CSCc1ccc(cc1)C(=O)C 62a_100000756337_200000210301 [0,1,0,0,0,0|2,1,0]=4 497 B12R1.113 CSCc1ccc(cc1)C(=O)C 62a_200000210301_100000756337 [0,1,0,0,0,0|2,1,0]=4 498 B12R1.113 CSCc1ccc(cc1)C(=O)N 62a_100000231043_200000210301 [0,1,0,0,0,0|2,1,0]=4 499 B12R1.113 CSCc1ccc(cc1)C(=O)N 62a_200000210301_100000231043 [0,1,0,0,0,0|2,1,0]=4 500 B12R1.113 CSCc1ccc(cc1)C(=O)[13CH3] 1458a_100000175442_200025704644 [0,1,0,0,0,0|2,1,0]=4 501 B12R1.113 NC(=O)c1ccc(cc1)NCF 34a_100000210537_100015361967 [0,1,0,0,0,0|3,0,0]=4 502 B12R1.113 NC(=O)c1ccc(cc1)OCF 34a_100000746352_100015361967 [0,1,0,0,0,0|3,0,0]=4 503 B12R1.113 NC(=O)c1ccc(cc1)OCF 7a_100000746352_100015361967 [0,1,0,0,0,0|3,0,0]=4 504 B12R1.113 NC(=O)c1ccc(cc1)SCF 62a_100000162191_100015361967 [0,1,0,0,0,0|3,0,0]=4 505 B12R1.113 NC(=O)c1ccc(cc1)SCF 62a_100015361967_100000162191 [0,1,0,0,0,0|3,0,0]=4 506 B12R1.113 [13CH3]C(=O)c1ccc(cc1)CC#N 1458a_100000693995_200025704644 [0,1,0,0,0,0|3,0,0]=4 507 B12R1.113 [13CH3]C(=O)c1ccc(cc1)CCO 1458a_100000078963_200025704644 [0,1,0,0,0,0|2,0,0]=3 508 B12R1.113 [13CH3]C(=O)c1ccc(cc1)N=[N+]=[N-] 1458a_100000039380_200025704644 [0,1,0,0,0,0|3,0,0]=4 509 B12R1.113 [13CH3]NCc1ccc(cc1)C(=O)O 269956a_100000181780_200025704644 [0,1,0,0,0,0|2,0,0]=3 510 B12R1.113 [13CH3]NCc1ccc(nc1)C(=O)O 269956a_100000762669_200025704644 [0,1,0,0,0,0|3,0,0]=4 511 B12R1.113 [13CH3]OCc1ccc(cc1)C(=O)N 34a_100000162016_200025704644 [0,1,0,0,0,0|2,0,0]=3 512 B12R1.113 [13CH3]OCc1ccc(cc1)C(=O)N 7a_100000162016_200025704644 [0,1,0,0,0,0|2,0,0]=3 513 B12R1.113 [13CH3]OCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_200025704644 [0,1,0,0,0,0|2,0,1]=4 514 B12R1.113 [13CH3]SCc1ccc(cc1)C(=O)N 62a_100000231043_200025704644 [0,1,0,0,0,0|2,1,0]=4 515 B12R1.113 [13CH3]SCc1ccc(cc1)C(=O)N 62a_200025704644_100000231043 [0,1,0,0,0,0|2,1,0]=4 516 B12R1.256 C=C(C)c1ccc(cc1)B(O)O 271570a_100000694244_100000754493 [0,1,0,0,0,0|3,0,0]=4 517 B12R1.256 C=C(C)c1ccc(cc1)C(=O)C 1458a_200009908186_200000210301 [0,1,0,0,0,0|3,0,0]=4 518 B12R1.256 C=C(C)c1ccc(cc1)C(=O)C 271570a_100000694244_100000185465 [0,1,0,0,0,0|3,0,0]=4 519 B12R1.256 C=C(C)c1ccc(cc1)C(=O)N 271570a_100000694244_100000162191 [0,1,0,0,0,0|3,0,0]=4 520 B12R1.256 C=C(C)c1ccc(cc1)C(=O)[13CH3] 1458a_200009908186_200025704644 [0,1,0,0,0,0|3,0,0]=4 521 B12R1.256 C=C(C)c1ccc(cc1)C(C)O 271570a_100000694244_100000745893 [0,1,0,0,0,0|3,0,0]=4 522 B12R1.256 CC(=O)c1ccc(cc1)C(=O)N 1458a_100000230133_200000210301 [0,1,0,0,0,0|2,0,1]=4 523 B12R1.256 CC(=O)c1ccc(cc1)C(C)C 1458a_100000210772_200000210301 [0,1,0,0,0,0|3,0,0]=4 524 B12R1.256 CC(=O)c1ccc(cc1)C(C)O 1458a_100000076921_200000210301 [0,1,0,0,0,0|2,0,0]=3 525 B12R1.256 CC(=O)c1ccc(cc1)C(F)F 1458a_100011735500_200000210301 [0,1,0,0,0,0|3,0,0]=4 526 B12R1.256 CC(=O)c1ccc(cc1)N(C)C 1458a_100000210873_200000210301 [0,1,0,0,0,0|3,0,0]=4 527 B12R1.256 CC(=O)c1ccc(cc1)S(=O)C 1458a_200000217594_200000210301 [0,1,0,0,0,0|2,0,1]=4 528 B12R1.256 CC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_200000210301 [0,1,0,0,0,0|2,0,1]=4 529 B12R1.256 CC(C)c1ccc(cc1)C(=O)[13CH3] 1458a_100000210772_200025704644 [0,1,0,0,0,0|3,0,0]=4 530 B12R1.256 CC(O)c1ccc(cc1)C(=O)[13CH3] 1458a_100000076921_200025704644 [0,1,0,0,0,0|2,0,0]=3 531 B12R1.256 CN(C)c1ccc(cc1)C(=O)N 27a_100102631434_100000162191 [0,1,0,0,0,0|3,0,0]=4 532 B12R1.256 CN(C)c1ccc(cc1)C(=O)[13CH3] 1458a_100000210873_200025704644 [0,1,0,0,0,0|3,0,0]=4 533 B12R1.256 CS(=O)c1ccc(cc1)C(=O)[13CH3] 1458a_200000217594_200025704644 [0,1,0,0,0,0|2,0,1]=4 534 B12R1.256 [13CH3]C(=O)c1ccc(cc1)C(=O)N 1458a_100000230133_200025704644 [0,1,0,0,0,0|2,0,1]=4 535 B12R1.256 [13CH3]C(=O)c1ccc(cc1)C(F)F 1458a_100011735500_200025704644 [0,1,0,0,0,0|3,0,0]=4 536 B12R1.256 [13CH3]C(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_200025704644 [0,1,0,0,0,0|2,0,1]=4 537 B12R1.452 C#Cc1ccc(c(c1)Cl)C(=O)C 1458a_100103168756_200000210301 [0,1,0,0,0,0|3,0,0]=4 538 B12R1.452 C#Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100103168756_200025704644 [0,1,0,0,0,0|3,0,0]=4 539 B12R1.452 C=C(C)c1ccc(cc1C)CO 271570a_100000694244_100000718852 [0,1,0,0,0,0|3,0,0]=4 540 B12R1.452 C=C(C)c1ccc(cc1Cl)CO 271570a_100000694244_100000718186 [0,1,0,0,0,0|3,0,0]=4 541 B12R1.452 C=C(C)c1ccc(cc1F)CO 271570a_100000694244_100011533735 [0,1,0,0,0,0|3,0,0]=4 542 B12R1.452 C=C(C)c1ccc(cc1N)CO 271570a_100000694244_100012347568 [0,1,0,0,0,0|3,0,0]=4 543 B12R1.452 C=C(C)c1ccc(cc1O)CO 271570a_100000694244_100000049605 [0,1,0,0,0,0|3,0,0]=4 544 B12R1.452 C=Cc1ccc(c(c1)Br)C(=O)N 271570a_100011290941_200010146565 [0,1,0,0,0,0|3,0,0]=4 545 B12R1.452 C=Cc1ccc(c(c1)C)C(=O)C 271570a_100011290941_100012360112 [0,1,0,0,0,0|3,0,0]=4 546 B12R1.452 C=Cc1ccc(c(c1)C)C(=O)N 271570a_100011290941_100011327924 [0,1,0,0,0,0|3,0,0]=4 547 B12R1.452 C=Cc1ccc(c(c1)F)C(=O)C 271570a_100011290941_100000690205 [0,1,0,0,0,0|3,0,0]=4 548 B12R1.452 C=Cc1ccc(c(c1)F)C(=O)N 271570a_100011290941_100000216903 [0,1,0,0,0,0|3,0,0]=4 549 B12R1.452 C=Cc1ccc(c(c1)N)C(=O)C 271570a_100011290941_100011590516 [0,1,0,0,0,0|3,0,0]=4 550 B12R1.452 C=Cc1ccc(c(c1)N)C(=O)N 271570a_100011290941_100012349972 [0,1,0,0,0,0|3,0,0]=4 551 B12R1.452 C=Cc1ccc(c(c1)O)C(=O)C 271570a_100011290941_100000188348 [0,1,0,0,0,0|3,0,0]=4 552 B12R1.452 C=Cc1ccc(c(c1)O)C(=O)N 271570a_100011290941_100011550861 [0,1,0,0,0,0|3,0,0]=4 553 B12R1.452 CC(=O)c1ccc(cc1Br)C#N 1458a_100010244945_200000210301 [0,1,0,0,0,0|3,0,0]=4 554 B12R1.452 CC(=O)c1ccc(cc1Br)O[13CH3] 34a_100012340537_200025704644 [0,1,0,0,0,0|3,0,0]=4 555 B12R1.452 CC(=O)c1ccc(cc1Br)O[13CH3] 7a_100012340537_200025704644 [0,1,0,0,0,0|3,0,0]=4 556 B12R1.452 CC(=O)c1ccc(cc1C)C#N 1458a_100000691869_200000210301 [0,1,0,0,0,0|3,0,0]=4 557 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 34a_100000702595_200025704644 [0,1,0,0,0,0|3,0,0]=4 558 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 7a_100000702595_200025704644 [0,1,0,0,0,0|3,0,0]=4 559 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_100012360112_200025704644 [0,1,0,0,0,0|3,0,0]=4 560 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_200025704644_100012360112 [0,1,0,0,0,0|3,0,0]=4 561 B12R1.452 CC(=O)c1ccc(cc1Cl)C#N 1458a_100000100588_200000210301 [0,1,0,0,0,0|3,0,0]=4 562 B12R1.452 CC(=O)c1ccc(cc1Cl)CO 1458a_100015659073_200000210301 [0,1,0,0,0,0|2,0,0]=3 563 B12R1.452 CC(=O)c1ccc(cc1Cl)O[13CH3] 34a_100011933989_200025704644 [0,1,0,0,0,0|3,0,0]=4 564 B12R1.452 CC(=O)c1ccc(cc1Cl)O[13CH3] 7a_100011933989_200025704644 [0,1,0,0,0,0|3,0,0]=4 565 B12R1.452 CC(=O)c1ccc(cc1F)C#N 1458a_100000238375_200000210301 [0,1,0,0,0,0|3,0,0]=4 566 B12R1.452 CC(=O)c1ccc(cc1F)CO 1458a_100011934814_200000210301 [0,1,0,0,0,0|2,0,0]=3 567 B12R1.452 CC(=O)c1ccc(cc1F)O[13CH3] 34a_100000752407_200025704644 [0,1,0,0,0,0|3,0,0]=4 568 B12R1.452 CC(=O)c1ccc(cc1F)O[13CH3] 7a_100000752407_200025704644 [0,1,0,0,0,0|3,0,0]=4 569 B12R1.452 CC(=O)c1ccc(cc1F)S[13CH3] 62a_100000690205_200025704644 [0,1,0,0,0,0|3,0,0]=4 570 B12R1.452 CC(=O)c1ccc(cc1N)S[13CH3] 62a_100011590516_200025704644 [0,1,0,0,0,0|3,0,0]=4 571 B12R1.452 CCc1ccc(c(c1)F)C(=O)C 1458a_200009867912_200000210301 [0,1,0,0,0,0|3,0,0]=4 572 B12R1.452 CCc1ccc(c(c1)F)C(=O)[13CH3] 1458a_200009867912_200025704644 [0,1,0,0,0,0|3,0,0]=4 573 B12R1.452 CNc1ccc(c(c1)Br)C(=O)N 27a_100102657272_200010146565 [0,1,0,0,0,0|3,0,0]=4 574 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 27a_100102657272_100011327924 [0,1,0,0,0,0|3,0,0]=4 575 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 34a_200000751758_200000210301 [0,1,0,0,0,0|3,0,0]=4 576 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 7a_200000751758_200000210301 [0,1,0,0,0,0|3,0,0]=4 577 B12R1.452 CNc1ccc(c(c1)Cl)C(=O)N 34a_100000737725_200000210301 [0,1,0,0,0,0|3,0,0]=4 578 B12R1.452 CNc1ccc(c(c1)Cl)C(=O)N 7a_100000737725_200000210301 [0,1,0,0,0,0|3,0,0]=4 579 B12R1.452 CNc1ccc(c(c1)F)C(=O)C 27a_100102657272_100000690205 [0,1,0,0,0,0|3,0,0]=4 580 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 27a_100102657272_100000216903 [0,1,0,0,0,0|3,0,0]=4 581 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 34a_100000749959_200000210301 [0,1,0,0,0,0|3,0,0]=4 582 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 7a_100000749959_200000210301 [0,1,0,0,0,0|3,0,0]=4 583 B12R1.452 CNc1ccc(c(c1)O)C(=O)N 34a_100000223280_200000210301 [0,1,0,0,0,0|3,0,0]=4 584 B12R1.452 CNc1ccc(c(c1)O)C(=O)N 7a_100000223280_200000210301 [0,1,0,0,0,0|3,0,0]=4 585 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 1458a_100000748873_200000210301 [0,1,0,0,0,0|3,0,0]=4 586 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 34a_100012340537_200000210301 [0,1,0,0,0,0|3,0,0]=4 587 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 7a_100012340537_200000210301 [0,1,0,0,0,0|3,0,0]=4 588 B12R1.452 COc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000748873_200025704644 [0,1,0,0,0,0|3,0,0]=4 589 B12R1.452 COc1ccc(c(c1)C)C(=O)C 1458a_100000763155_200000210301 [0,1,0,0,0,0|3,0,0]=4 590 B12R1.452 COc1ccc(c(c1)C)C(=O)C 34a_100000702595_200000210301 [0,1,0,0,0,0|3,0,0]=4 591 B12R1.452 COc1ccc(c(c1)C)C(=O)C 7a_100000702595_200000210301 [0,1,0,0,0,0|3,0,0]=4 592 B12R1.452 COc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000763155_200025704644 [0,1,0,0,0,0|3,0,0]=4 593 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 1458a_100000753557_200000210301 [0,1,0,0,0,0|3,0,0]=4 594 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 34a_100011933989_200000210301 [0,1,0,0,0,0|3,0,0]=4 595 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 7a_100011933989_200000210301 [0,1,0,0,0,0|3,0,0]=4 596 B12R1.452 COc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_200000210301 [0,1,0,0,0,0|3,0,0]=4 597 B12R1.452 COc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_200000210301 [0,1,0,0,0,0|3,0,0]=4 598 B12R1.452 COc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000753557_200025704644 [0,1,0,0,0,0|3,0,0]=4 599 B12R1.452 COc1ccc(c(c1)F)C(=O)C 1458a_100000198494_200000210301 [0,1,0,0,0,0|3,0,0]=4 600 B12R1.452 COc1ccc(c(c1)F)C(=O)C 34a_100000752407_200000210301 [0,1,0,0,0,0|3,0,0]=4 601 B12R1.452 COc1ccc(c(c1)F)C(=O)C 7a_100000752407_200000210301 [0,1,0,0,0,0|3,0,0]=4 602 B12R1.452 COc1ccc(c(c1)F)C(=O)N 34a_200012186767_200000210301 [0,1,0,0,0,0|3,0,0]=4 603 B12R1.452 COc1ccc(c(c1)F)C(=O)N 7a_200012186767_200000210301 [0,1,0,0,0,0|3,0,0]=4 604 B12R1.452 COc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000198494_200025704644 [0,1,0,0,0,0|3,0,0]=4 605 B12R1.452 COc1ccc(c(c1)I)C(=O)C 1458a_100000688016_200000210301 [0,1,0,0,0,0|3,0,0]=4 606 B12R1.452 COc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100000688016_200025704644 [0,1,0,0,0,0|3,0,0]=4 607 B12R1.452 COc1ccc(c(c1)N)C(=O)N 34a_100012186684_200000210301 [0,1,0,0,0,0|3,0,0]=4 608 B12R1.452 COc1ccc(c(c1)N)C(=O)N 7a_100012186684_200000210301 [0,1,0,0,0,0|3,0,0]=4 609 B12R1.452 COc1ccc(c(c1)O)C(=O)C 1458a_100000212123_200000210301 [0,1,0,0,0,0|3,0,0]=4 610 B12R1.452 COc1ccc(c(c1)O)C(=O)C 271570a_203496583355_100000697255 [0,1,0,0,0,0|3,0,0]=4 611 B12R1.452 COc1ccc(c(c1)O)C(=O)N 271570a_203496583355_200009815664 [0,1,0,0,0,0|3,0,0]=4 612 B12R1.452 COc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212123_200025704644 [0,1,0,0,0,0|3,0,0]=4 613 B12R1.452 CSc1ccc(c(c1)Br)C(=O)N 62a_200010146565_200000210301 [0,1,0,0,0,0|3,0,0]=4 614 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 1458a_100012278374_200000210301 [0,1,0,0,0,0|3,0,0]=4 615 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_100012360112_200000210301 [0,1,0,0,0,0|3,0,0]=4 616 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_200000210301_100012360112 [0,1,0,0,0,0|3,0,0]=4 617 B12R1.452 CSc1ccc(c(c1)C)C(=O)N 62a_100011327924_200000210301 [0,1,0,0,0,0|3,0,0]=4 618 B12R1.452 CSc1ccc(c(c1)C)C(=O)N 62a_200000210301_100011327924 [0,1,0,0,0,0|3,0,0]=4 619 B12R1.452 CSc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100012278374_200025704644 [0,1,0,0,0,0|3,0,0]=4 620 B12R1.452 CSc1ccc(c(c1)F)C(=O)C 62a_100000690205_200000210301 [0,1,0,0,0,0|3,0,0]=4 621 B12R1.452 CSc1ccc(c(c1)F)C(=O)N 62a_100000216903_200000210301 [0,1,0,0,0,0|3,0,0]=4 622 B12R1.452 CSc1ccc(c(c1)N)C(=O)C 62a_100011590516_200000210301 [0,1,0,0,0,0|3,0,0]=4 623 B12R1.452 CSc1ccc(c(c1)N)C(=O)N 62a_100012349972_200000210301 [0,1,0,0,0,0|3,0,0]=4 624 B12R1.452 CSc1ccc(c(c1)O)C(=O)N 62a_100011550861_200000210301 [0,1,0,0,0,0|3,0,0]=4 625 B12R1.452 Cc1cc(ccc1C(=O)N)N[13CH3] 34a_200000751758_200025704644 [0,1,0,0,0,0|3,0,0]=4 626 B12R1.452 Cc1cc(ccc1C(=O)N)N[13CH3] 7a_200000751758_200025704644 [0,1,0,0,0,0|3,0,0]=4 627 B12R1.452 Cc1cc(ccc1C(=O)N)S[13CH3] 62a_100011327924_200025704644 [0,1,0,0,0,0|3,0,0]=4 628 B12R1.452 Cc1cc(ccc1C(=O)N)S[13CH3] 62a_200025704644_100011327924 [0,1,0,0,0,0|3,0,0]=4 629 B12R1.452 Cc1cc(ccc1C(=O)[13CH3])C#N 1458a_100000691869_200025704644 [0,1,0,0,0,0|3,0,0]=4 630 B12R1.452 [13CH3]C(=O)c1ccc(cc1Br)C#N 1458a_100010244945_200025704644 [0,1,0,0,0,0|3,0,0]=4 631 B12R1.452 [13CH3]C(=O)c1ccc(cc1Cl)C#N 1458a_100000100588_200025704644 [0,1,0,0,0,0|3,0,0]=4 632 B12R1.452 [13CH3]C(=O)c1ccc(cc1Cl)CO 1458a_100015659073_200025704644 [0,1,0,0,0,0|2,0,0]=3 633 B12R1.452 [13CH3]C(=O)c1ccc(cc1F)C#N 1458a_100000238375_200025704644 [0,1,0,0,0,0|3,0,0]=4 634 B12R1.452 [13CH3]C(=O)c1ccc(cc1F)CO 1458a_100011934814_200025704644 [0,1,0,0,0,0|2,0,0]=3 635 B12R1.452 [13CH3]Nc1ccc(c(c1)Cl)C(=O)N 34a_100000737725_200025704644 [0,1,0,0,0,0|3,0,0]=4 636 B12R1.452 [13CH3]Nc1ccc(c(c1)Cl)C(=O)N 7a_100000737725_200025704644 [0,1,0,0,0,0|3,0,0]=4 637 B12R1.452 [13CH3]Nc1ccc(c(c1)F)C(=O)N 34a_100000749959_200025704644 [0,1,0,0,0,0|3,0,0]=4 638 B12R1.452 [13CH3]Nc1ccc(c(c1)F)C(=O)N 7a_100000749959_200025704644 [0,1,0,0,0,0|3,0,0]=4 639 B12R1.452 [13CH3]Nc1ccc(c(c1)O)C(=O)N 34a_100000223280_200025704644 [0,1,0,0,0,0|3,0,0]=4 640 B12R1.452 [13CH3]Nc1ccc(c(c1)O)C(=O)N 7a_100000223280_200025704644 [0,1,0,0,0,0|3,0,0]=4 641 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_200025704644 [0,1,0,0,0,0|3,0,0]=4 642 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_200025704644 [0,1,0,0,0,0|3,0,0]=4 643 B12R1.452 [13CH3]Oc1ccc(c(c1)F)C(=O)N 34a_200012186767_200025704644 [0,1,0,0,0,0|3,0,0]=4 644 B12R1.452 [13CH3]Oc1ccc(c(c1)F)C(=O)N 7a_200012186767_200025704644 [0,1,0,0,0,0|3,0,0]=4 645 B12R1.452 [13CH3]Oc1ccc(c(c1)N)C(=O)N 34a_100012186684_200025704644 [0,1,0,0,0,0|3,0,0]=4 646 B12R1.452 [13CH3]Oc1ccc(c(c1)N)C(=O)N 7a_100012186684_200025704644 [0,1,0,0,0,0|3,0,0]=4 647 B12R1.452 [13CH3]Sc1ccc(c(c1)Br)C(=O)N 62a_200010146565_200025704644 [0,1,0,0,0,0|3,0,0]=4 648 B12R1.452 [13CH3]Sc1ccc(c(c1)F)C(=O)N 62a_100000216903_200025704644 [0,1,0,0,0,0|3,0,0]=4 649 B12R1.452 [13CH3]Sc1ccc(c(c1)N)C(=O)N 62a_100012349972_200025704644 [0,1,0,0,0,0|3,0,0]=4 650 B12R1.452 [13CH3]Sc1ccc(c(c1)O)C(=O)N 62a_100011550861_200025704644 [0,1,0,0,0,0|3,0,0]=4 651 B12R2.1384 CC(=O)c1ccc2c(c1)CC2 1458a_100000137882_200000210301 [0,0,0,1,0,0|3,0,0]=4 652 B12R2.1384 [13CH3]C(=O)c1ccc2c(c1)CC2 1458a_100000137882_200025704644 [0,0,0,1,0,0|3,0,0]=4 653 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000140223 [0,0,0,0,0,1|3,0,0]=4 654 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_200009884166_200000210301 [0,0,0,0,0,1|3,0,0]=4 655 B12R1.4 C#Cc1ccc(cc1)CC(=O)[13CH3] 1458a_200009884166_200025704644 [0,0,0,0,0,1|3,0,0]=4 656 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 11a_100011215031_100015343762 [0,0,0,0,0,1|3,0,0]=4 657 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 1626a_100011215031_100015343762 [0,0,0,0,0,1|3,0,0]=4 658 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 22a_100011215031_100000070787 [0,0,0,0,0,1|3,0,0]=4 659 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 527a_100011215031_100103153847 [0,0,0,0,0,1|3,0,0]=4 660 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000034074 [0,0,0,0,0,1|3,0,0]=4 661 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 271570a_100011290941_100000691760 [0,0,0,0,0,1|3,0,0]=4 662 B12R1.4 C=Cc1ccc(cc1)CC(=O)N 271570a_100011290941_100000162331 [0,0,0,0,0,1|3,0,0]=4 663 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 11a_100011218248_100015343762 [0,0,0,0,0,1|3,0,0]=4 664 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 1626a_100011218248_100015343762 [0,0,0,0,0,1|3,0,0]=4 665 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 22a_100011218248_100000070787 [0,0,0,0,0,1|3,0,0]=4 666 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 271570a_100011290941_100000155215 [0,0,0,0,0,1|3,0,0]=4 667 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 527a_100011218248_100103153847 [0,0,0,0,0,1|3,0,0]=4 668 B12R1.4 C=Cc1ccc(cc1)NC(=O)N 271570a_100011290941_100000198584 [0,0,0,0,0,1|3,0,0]=4 669 B12R1.4 C=Cc1ccc(cc1)OC(=O)C 271570a_100011290941_100000002173 [0,0,0,0,0,1|3,0,0]=4 670 B12R1.4 C=Cc1ccc(cc1)SC(=O)C 271570a_100011290941_200009995050 [0,0,0,0,0,1|3,0,0]=4 671 B12R1.4 CC(=Cc1ccc(cc1)CO)C 271570a_100102525489_100000690907 [0,0,0,0,0,1|3,0,0]=4 672 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000070787_100000184898 [0,0,0,0,0,1|3,0,0]=4 673 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200000210301 [0,0,0,0,0,1|3,0,0]=4 674 B12R1.4 CC(=O)Cc1ccc(cc1)C=O 1458a_100000070787_100000075337 [0,0,0,0,0,1|2,0,1]=4 675 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100000070787_100000067286 [0,0,0,0,0,1|2,0,0]=3 676 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100011356463_200000210301 [0,0,0,0,0,1|2,0,0]=3 677 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 34a_100011218180_200025704644 [0,0,0,0,0,1|3,0,0]=4 678 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 7a_100011218180_200025704644 [0,0,0,0,0,1|3,0,0]=4 679 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000691760_200025704644 [0,0,0,0,0,1|3,0,0]=4 680 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000691760 [0,0,0,0,0,1|3,0,0]=4 681 B12R1.4 CC(=O)Nc1ccc(cc1)C#N 11a_100000185469_100015343762 [0,0,0,0,0,1|3,0,0]=4 682 B12R1.4 CC(=O)Nc1ccc(cc1)C#N 1626a_100000185469_100015343762 [0,0,0,0,0,1|3,0,0]=4 683 B12R1.4 CC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000070787 [0,0,0,0,0,1|2,0,0]=3 684 B12R1.4 CC(=O)Nc1ccc(cc1)N[13CH3] 34a_100000184111_200025704644 [0,0,0,0,0,1|3,0,0]=4 685 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100000184395_200025704644 [0,0,0,0,0,1|3,0,0]=4 686 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 7a_100000184395_200025704644 [0,0,0,0,0,1|3,0,0]=4 687 B12R1.4 CC(=O)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000155215 [0,0,0,0,0,1|3,0,0]=4 688 B12R1.4 CC(=O)Oc1ccc(cc1)S[13CH3] 62a_200025704644_100000002173 [0,0,0,0,0,1|3,0,0]=4 689 B12R1.4 CC(=O)Sc1ccc(cc1)S[13CH3] 62a_200009995050_200025704644 [0,0,0,0,0,1|3,0,0]=4 690 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_100000070787_100000747183 [0,0,0,0,0,1|3,0,0]=4 691 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_200000759805_200000210301 [0,0,0,0,0,1|3,0,0]=4 692 B12R1.4 CCc1ccc(cc1)CC(=O)[13CH3] 1458a_200000759805_200025704644 [0,0,0,0,0,1|3,0,0]=4 693 B12R1.4 CCc1ccc(cc1)NC(=O)C 11a_100000211069_100015343762 [0,0,0,0,0,1|3,0,0]=4 694 B12R1.4 CCc1ccc(cc1)NC(=O)C 1626a_100000211069_100015343762 [0,0,0,0,0,1|3,0,0]=4 695 B12R1.4 CCc1ccc(cc1)NC(=O)C 22a_100000211069_100000070787 [0,0,0,0,0,1|3,0,0]=4 696 B12R1.4 CCc1ccc(cc1)NC(=O)C 527a_100000211069_100103153847 [0,0,0,0,0,1|3,0,0]=4 697 B12R1.4 CNc1ccc(cc1)CC(=O)N 2230a_100000738315_200000210301 [0,0,0,0,0,1|3,0,0]=4 698 B12R1.4 CNc1ccc(cc1)CC(=O)N 34a_100000738315_200000210301 [0,0,0,0,0,1|3,0,0]=4 699 B12R1.4 CNc1ccc(cc1)NC(=O)C 34a_100000184111_200000210301 [0,0,0,0,0,1|3,0,0]=4 700 B12R1.4 COc1ccc(cc1)CC(=O)C 1458a_100000210706_200000210301 [0,0,0,0,0,1|3,0,0]=4 701 B12R1.4 COc1ccc(cc1)CC(=O)C 34a_100011218180_200000210301 [0,0,0,0,0,1|3,0,0]=4 702 B12R1.4 COc1ccc(cc1)CC(=O)C 7a_100011218180_200000210301 [0,0,0,0,0,1|3,0,0]=4 703 B12R1.4 COc1ccc(cc1)CC(=O)N 34a_100000020825_200000210301 [0,0,0,0,0,1|3,0,0]=4 704 B12R1.4 COc1ccc(cc1)CC(=O)[13CH3] 1458a_100000210706_200025704644 [0,0,0,0,0,1|3,0,0]=4 705 B12R1.4 COc1ccc(cc1)NC(=O)C 11a_100000184247_100015343762 [0,0,0,0,0,1|3,0,0]=4 706 B12R1.4 COc1ccc(cc1)NC(=O)C 1626a_100000184247_100015343762 [0,0,0,0,0,1|3,0,0]=4 707 B12R1.4 COc1ccc(cc1)NC(=O)C 22a_100000184247_100000070787 [0,0,0,0,0,1|3,0,0]=4 708 B12R1.4 COc1ccc(cc1)NC(=O)C 34a_100000184395_200000210301 [0,0,0,0,0,1|3,0,0]=4 709 B12R1.4 COc1ccc(cc1)NC(=O)C 527a_100000184247_100103153847 [0,0,0,0,0,1|3,0,0]=4 710 B12R1.4 COc1ccc(cc1)NC(=O)C 7a_100000184395_200000210301 [0,0,0,0,0,1|3,0,0]=4 711 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000070787_100000181263 [0,0,0,0,0,1|3,0,0]=4 712 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000756958_200000210301 [0,0,0,0,0,1|3,0,0]=4 713 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_100000691760_200000210301 [0,0,0,0,0,1|3,0,0]=4 714 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_200000210301_100000691760 [0,0,0,0,0,1|3,0,0]=4 715 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_100000162331_200000210301 [0,0,0,0,0,1|3,0,0]=4 716 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_200000210301_100000162331 [0,0,0,0,0,1|3,0,0]=4 717 B12R1.4 CSc1ccc(cc1)CC(=O)[13CH3] 1458a_100000756958_200025704644 [0,0,0,0,0,1|3,0,0]=4 718 B12R1.4 CSc1ccc(cc1)NC(=O)C 11a_100000212337_100015343762 [0,0,0,0,0,1|3,0,0]=4 719 B12R1.4 CSc1ccc(cc1)NC(=O)C 22a_100000212337_100000070787 [0,0,0,0,0,1|3,0,0]=4 720 B12R1.4 CSc1ccc(cc1)NC(=O)C 527a_100000212337_100103153847 [0,0,0,0,0,1|3,0,0]=4 721 B12R1.4 CSc1ccc(cc1)NC(=O)C 62a_200000210301_100000155215 [0,0,0,0,0,1|3,0,0]=4 722 B12R1.4 CSc1ccc(cc1)NC(=O)N 62a_200000210301_100000198584 [0,0,0,0,0,1|3,0,0]=4 723 B12R1.4 CSc1ccc(cc1)OC(=O)C 62a_200000210301_100000002173 [0,0,0,0,0,1|3,0,0]=4 724 B12R1.4 CSc1ccc(cc1)SC(=O)C 62a_200009995050_200000210301 [0,0,0,0,0,1|3,0,0]=4 725 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200025704644 [0,0,0,0,0,1|3,0,0]=4 726 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)CO 1458a_100011356463_200025704644 [0,0,0,0,0,1|2,0,0]=3 727 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 2230a_100000738315_200025704644 [0,0,0,0,0,1|3,0,0]=4 728 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 34a_100000738315_200025704644 [0,0,0,0,0,1|3,0,0]=4 729 B12R1.4 [13CH3]Oc1ccc(cc1)CC(=O)N 34a_100000020825_200025704644 [0,0,0,0,0,1|3,0,0]=4 730 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_100000162331_200025704644 [0,0,0,0,0,1|3,0,0]=4 731 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_200025704644_100000162331 [0,0,0,0,0,1|3,0,0]=4 732 B12R1.4 [13CH3]Sc1ccc(cc1)NC(=O)N 62a_200025704644_100000198584 [0,0,0,0,0,1|3,0,0]=4 733 B9R1.1 C=Cc1ccc(cc1)Br 271570a_100011290941_100000752885 [2,0,0,0,0,0|2,0,0]=4 734 B9R1.1 C=Cc1ccc(cc1)C 271570a_100011290941_100000186775 [2,0,0,0,0,0|2,0,0]=4 735 B9R1.1 C=Cc1ccc(cc1)Cl 271570a_100011290941_100000755918 [2,0,0,0,0,0|2,0,0]=4 736 B9R1.1 C=Cc1ccc(cc1)F 271570a_100011290941_100000211213 [2,0,0,0,0,0|2,0,0]=4 737 B9R1.1 C=Cc1ccc(cc1)N 271570a_100011290941_100000185761 [2,0,0,0,0,0|2,0,0]=4 738 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [2,0,0,0,0,0|1,0,0]=3 739 B9R1.1 C=Cc1ccc(cn1)O 271570a_100011290941_100000685995 [2,0,0,0,0,0|2,0,0]=4 740 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [2,0,0,0,0,0|1,0,1]=4 741 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [2,0,0,0,0,0|2,0,0]=4 742 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [2,0,0,0,0,0|2,0,0]=4 743 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [2,0,0,0,0,0|2,0,0]=4 744 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [2,0,0,0,0,0|2,0,0]=4 745 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [2,0,0,0,0,0|2,0,0]=4 746 B9R1.1 N#Cc1ccc(cc1)O 271570a_203496583355_100000179745 [2,0,0,0,0,0|1,0,1]=4 747 B9R1.1 NCc1ccc(cc1)O 271570a_203496583355_100016989417 [2,0,0,0,0,0|1,0,1]=4 748 B9R1.1 NNc1ccc(cc1)O 271570a_203496583355_100016988836 [2,0,0,0,0,0|2,0,0]=4 749 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [2,0,0,0,0,0|0,0,0]=2 750 B9R1.1 O=Cc1ccc(cn1)O 271570a_203496583355_100000754260 [2,0,0,0,0,0|1,0,0]=3 751 B9R1.1 O=Cc1ccc(nc1)O 271570a_203496583355_100000766901 [2,0,0,0,0,0|1,0,0]=3 752 B9R1.1 O=Cc1ccc(nn1)O 271570a_203496583355_100000044651 [2,0,0,0,0,0|2,0,0]=4 753 B9R1.1 O=Cc1cnc(cn1)O 271570a_203496583355_100012001714 [2,0,0,0,0,0|2,0,0]=4 754 B9R1.1 O=Cc1cnc(nc1)O 271570a_203496583355_100000070856 [2,0,0,0,0,0|2,0,0]=4 755 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [2,0,0,0,0,0|0,0,1]=3 756 B9R1.1 OCc1ccc(cn1)O 271570a_203496583355_100000754261 [2,0,0,0,0,0|1,0,1]=4 757 B9R1.1 OCc1ccc(nc1)O 271570a_203496583355_100009816760 [2,0,0,0,0,0|1,0,1]=4 758 B9R1.1 Oc1ccc(cc1)CF 271570a_203496583355_100010268989 [2,0,0,0,0,0|1,0,1]=4 759 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [2,0,0,0,0,0|2,0,0]=4 760 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [2,0,0,0,0,0|2,0,0]=4 761 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [2,0,0,0,0,0|2,0,0]=4 762 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [2,0,0,0,0,0|1,0,0]=3 763 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [2,0,0,0,0,0|1,0,0]=3 764 B11R1.83 C=C=Cc1ccc(cc1)C=O 271570a_100015277604_100000186029 [1,1,0,0,0,0|2,0,0]=4 765 B11R1.83 C=C=Cc1ccc(cc1)CO 271570a_100015277604_100000690907 [1,1,0,0,0,0|2,0,0]=4 766 B11R1.83 C=Cc1ccc(cc1)CC=O 271570a_100011290941_100011361690 [1,1,0,0,0,0|2,0,0]=4 767 B11R1.83 C=Cc1ccc(cc1)CCO 271570a_100011290941_100000766406 [1,1,0,0,0,0|2,0,0]=4 768 B11R1.83 C=Cc1ccc(cc1)COC 271570a_100011290941_100011493685 [1,1,0,0,0,0|2,0,0]=4 769 B11R1.83 C=Cc1ccc(cc1)COC 34a_100000073583_200000210301 [1,1,0,0,0,0|2,0,0]=4 770 B11R1.83 C=Cc1ccc(cc1)COC 34a_100138415774_100000034074 [1,1,0,0,0,0|2,0,0]=4 771 B11R1.83 C=Cc1ccc(cc1)COC 7a_100000073583_200000210301 [1,1,0,0,0,0|2,0,0]=4 772 B11R1.83 C=Cc1ccc(cc1)CO[13CH3] 34a_100000073583_200025704644 [1,1,0,0,0,0|2,0,0]=4 773 B11R1.83 C=Cc1ccc(cc1)CO[13CH3] 7a_100000073583_200025704644 [1,1,0,0,0,0|2,0,0]=4 774 B11R1.83 CC=Cc1ccc(cc1)C=O 271570a_100016259895_100000186029 [1,1,0,0,0,0|2,0,0]=4 775 B11R1.83 CC=Cc1ccc(cc1)CO 271570a_100016259895_100000690907 [1,1,0,0,0,0|2,0,0]=4 776 B11R1.83 CCSc1ccc(cc1)C=O 62a_100000188517_100000210202 [1,1,0,0,0,0|2,0,0]=4 777 B11R1.83 CCSc1ccc(cc1)C=O 62a_100000210202_100000188517 [1,1,0,0,0,0|2,0,0]=4 778 B11R1.83 CNCc1ccc(cc1)C=O 2230a_106832991635_100009816848 [1,1,0,0,0,0|2,0,0]=4 779 B11R1.83 CNCc1ccc(cc1)C=O 34a_100102657272_100009816848 [1,1,0,0,0,0|2,0,0]=4 780 B11R1.83 CNCc1ccc(cc1)C=O 7a_106832991635_100009816848 [1,1,0,0,0,0|2,0,0]=4 781 B11R1.83 COCc1ccc(cc1)C=O 34a_100138415774_100009816848 [1,1,0,0,0,0|1,0,0]=3 782 B11R1.83 COCc1ccc(cc1)CO 34a_100138415774_100000067286 [1,1,0,0,0,0|1,0,1]=4 783 B11R1.83 CSCc1ccc(cc1)C=O 62a_100009816848_200000210301 [1,1,0,0,0,0|1,1,0]=4 784 B11R1.83 CSCc1ccc(cc1)C=O 62a_200000210301_100009816848 [1,1,0,0,0,0|1,1,0]=4 785 B11R1.83 CSc1ccc(cc1)CC=O 62a_100011361690_200000210301 [1,1,0,0,0,0|2,0,0]=4 786 B11R1.83 CSc1ccc(cc1)CC=O 62a_200000210301_100011361690 [1,1,0,0,0,0|2,0,0]=4 787 B11R1.83 O=Cc1ccc(cc1)SCF 62a_100000188517_100015361967 [1,1,0,0,0,0|2,0,0]=4 788 B11R1.83 O=Cc1ccc(cc1)SCF 62a_100015361967_100000188517 [1,1,0,0,0,0|2,0,0]=4 789 B11R1.83 [13CH3]SCc1ccc(cc1)C=O 62a_100009816848_200025704644 [1,1,0,0,0,0|1,1,0]=4 790 B11R1.83 [13CH3]SCc1ccc(cc1)C=O 62a_200025704644_100009816848 [1,1,0,0,0,0|1,1,0]=4 791 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_100011361690_200025704644 [1,1,0,0,0,0|2,0,0]=4 792 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_200025704644_100011361690 [1,1,0,0,0,0|2,0,0]=4 793 B11R1.279 C=Cc1ccc(c(c1)Br)C=O 271570a_100011290941_100010185650 [1,1,0,0,0,0|2,0,0]=4 794 B11R1.279 C=Cc1ccc(c(c1)Br)CO 271570a_100011290941_100010240206 [1,1,0,0,0,0|2,0,0]=4 795 B11R1.279 C=Cc1ccc(c(c1)C)C=O 271570a_100011290941_100000687586 [1,1,0,0,0,0|2,0,0]=4 796 B11R1.279 C=Cc1ccc(c(c1)C)CO 271570a_100011290941_100000748258 [1,1,0,0,0,0|2,0,0]=4 797 B11R1.279 C=Cc1ccc(c(c1)Cl)C=O 271570a_100011290941_100000727542 [1,1,0,0,0,0|2,0,0]=4 798 B11R1.279 C=Cc1ccc(c(c1)F)C=O 271570a_100011290941_100000211676 [1,1,0,0,0,0|2,0,0]=4 799 B11R1.279 C=Cc1ccc(c(c1)F)CO 271570a_100011290941_100011191541 [1,1,0,0,0,0|2,0,0]=4 800 B11R1.279 C=Cc1ccc(c(c1)N)C=O 271570a_100011290941_100009814810 [1,1,0,0,0,0|2,0,0]=4 801 B11R1.279 C=Cc1ccc(c(c1)N)CO 271570a_100011290941_100000718831 [1,1,0,0,0,0|2,0,0]=4 802 B11R1.279 C=Cc1ccc(c(c1)O)C=O 271570a_100011290941_100011277552 [1,1,0,0,0,0|2,0,0]=4 803 B11R1.279 C=Cc1ccc(c(c1)O)CO 271570a_100011290941_100000071718 [1,1,0,0,0,0|2,0,0]=4 804 B11R1.279 C=Cc1ccc(cc1C)C=O 271570a_100011290941_100000765772 [1,1,0,0,0,0|2,0,0]=4 805 B11R1.279 C=Cc1ccc(cc1C)CO 271570a_100011290941_100000718852 [1,1,0,0,0,0|2,0,0]=4 806 B11R1.279 C=Cc1ccc(cc1Cl)CO 271570a_100011290941_100000718186 [1,1,0,0,0,0|2,0,0]=4 807 B11R1.279 C=Cc1ccc(cc1F)C=O 271570a_100011290941_100000686674 [1,1,0,0,0,0|2,0,0]=4 808 B11R1.279 C=Cc1ccc(cc1F)CO 271570a_100011290941_100011533735 [1,1,0,0,0,0|2,0,0]=4 809 B11R1.279 C=Cc1ccc(cc1N)CO 271570a_100011290941_100012347568 [1,1,0,0,0,0|2,0,0]=4 810 B11R1.279 C=Cc1ccc(cc1O)C=O 271570a_100011290941_100000041418 [1,1,0,0,0,0|2,0,0]=4 811 B11R1.279 C=Cc1ccc(cc1O)CO 271570a_100011290941_100000049605 [1,1,0,0,0,0|2,0,0]=4 812 B11R1.279 CNc1ccc(cc1O)C=O 271570a_203496583355_200010290468 [1,1,0,0,0,0|2,0,0]=4 813 B11R1.279 COc1ccc(c(c1)O)C=O 271570a_203496583355_100000723261 [1,1,0,0,0,0|2,0,0]=4 814 B11R1.279 COc1ccc(cc1O)C=O 271570a_203496583355_100000173361 [1,1,0,0,0,0|2,0,0]=4 815 B11R1.279 CSc1ccc(c(c1)Br)C=O 62a_100010185650_200000210301 [1,1,0,0,0,0|2,0,0]=4 816 B11R1.279 CSc1ccc(c(c1)Br)C=O 62a_200000210301_100010185650 [1,1,0,0,0,0|2,0,0]=4 817 B11R1.279 CSc1ccc(c(c1)C)C=O 62a_100000766358_200000210301 [1,1,0,0,0,0|2,0,0]=4 818 B11R1.279 CSc1ccc(c(c1)C)C=O 62a_200000210301_100000766358 [1,1,0,0,0,0|2,0,0]=4 819 B11R1.279 CSc1ccc(c(c1)Cl)C=O 62a_100000727542_200000210301 [1,1,0,0,0,0|2,0,0]=4 820 B11R1.279 CSc1ccc(c(c1)Cl)C=O 62a_200000210301_100000727542 [1,1,0,0,0,0|2,0,0]=4 821 B11R1.279 CSc1ccc(c(c1)F)C=O 62a_100000211676_200000210301 [1,1,0,0,0,0|2,0,0]=4 822 B11R1.279 CSc1ccc(c(c1)F)C=O 62a_200000210301_100000211676 [1,1,0,0,0,0|2,0,0]=4 823 B11R1.279 CSc1ccc(c(c1)N)C=O 62a_100009814810_200000210301 [1,1,0,0,0,0|2,0,0]=4 824 B11R1.279 CSc1ccc(c(c1)O)C=O 62a_100011277552_200000210301 [1,1,0,0,0,0|2,0,0]=4 825 B11R1.279 CSc1ccc(c(c1)O)C=O 62a_200000210301_100011277552 [1,1,0,0,0,0|2,0,0]=4 826 B11R1.279 CSc1ccc(cc1C)C=O 62a_100000765772_200000210301 [1,1,0,0,0,0|2,0,0]=4 827 B11R1.279 CSc1ccc(cc1C)C=O 62a_200000210301_100000765772 [1,1,0,0,0,0|2,0,0]=4 828 B11R1.279 CSc1ccc(cc1F)C=O 62a_100000686674_200000210301 [1,1,0,0,0,0|2,0,0]=4 829 B11R1.279 CSc1ccc(cc1F)C=O 62a_200000210301_100000686674 [1,1,0,0,0,0|2,0,0]=4 830 B11R1.279 CSc1ccc(cc1O)C=O 62a_100000041418_200000210301 [1,1,0,0,0,0|2,0,0]=4 831 B11R1.279 CSc1ccc(cc1O)C=O 62a_200000210301_100000041418 [1,1,0,0,0,0|2,0,0]=4 832 B11R1.279 Cc1cc(ccc1C=O)S[13CH3] 62a_100000766358_200025704644 [1,1,0,0,0,0|2,0,0]=4 833 B11R1.279 Cc1cc(ccc1C=O)S[13CH3] 62a_200025704644_100000766358 [1,1,0,0,0,0|2,0,0]=4 834 B11R1.279 Cc1cc(ccc1S[13CH3])C=O 62a_100000765772_200025704644 [1,1,0,0,0,0|2,0,0]=4 835 B11R1.279 Cc1cc(ccc1S[13CH3])C=O 62a_200025704644_100000765772 [1,1,0,0,0,0|2,0,0]=4 836 B11R1.279 N#Cc1ccc(c(c1)O)C=O 271570a_203496583355_100012355658 [1,1,0,0,0,0|2,0,0]=4 837 B11R1.279 N#Cc1ccc(cc1O)C=O 271570a_203496583355_100012355660 [1,1,0,0,0,0|2,0,0]=4 838 B11R1.279 O=Cc1ccc(c(c1)O)C=O 271570a_203496583355_100015597013 [1,1,0,0,0,0|1,0,1]=4 839 B11R1.279 OCc1ccc(c(c1)O)CO 271570a_203496583355_100010881536 [1,1,0,0,0,0|1,0,1]=4 840 B11R1.279 [13CH3]Sc1ccc(c(c1)Br)C=O 62a_100010185650_200025704644 [1,1,0,0,0,0|2,0,0]=4 841 B11R1.279 [13CH3]Sc1ccc(c(c1)Br)C=O 62a_200025704644_100010185650 [1,1,0,0,0,0|2,0,0]=4 842 B11R1.279 [13CH3]Sc1ccc(c(c1)Cl)C=O 62a_100000727542_200025704644 [1,1,0,0,0,0|2,0,0]=4 843 B11R1.279 [13CH3]Sc1ccc(c(c1)Cl)C=O 62a_200025704644_100000727542 [1,1,0,0,0,0|2,0,0]=4 844 B11R1.279 [13CH3]Sc1ccc(c(c1)F)C=O 62a_100000211676_200025704644 [1,1,0,0,0,0|2,0,0]=4 845 B11R1.279 [13CH3]Sc1ccc(c(c1)F)C=O 62a_200025704644_100000211676 [1,1,0,0,0,0|2,0,0]=4 846 B11R1.279 [13CH3]Sc1ccc(c(c1)N)C=O 62a_100009814810_200025704644 [1,1,0,0,0,0|2,0,0]=4 847 B11R1.279 [13CH3]Sc1ccc(c(c1)O)C=O 62a_100011277552_200025704644 [1,1,0,0,0,0|2,0,0]=4 848 B11R1.279 [13CH3]Sc1ccc(c(c1)O)C=O 62a_200025704644_100011277552 [1,1,0,0,0,0|2,0,0]=4 849 B11R1.279 [13CH3]Sc1ccc(cc1F)C=O 62a_100000686674_200025704644 [1,1,0,0,0,0|2,0,0]=4 850 B11R1.279 [13CH3]Sc1ccc(cc1F)C=O 62a_200025704644_100000686674 [1,1,0,0,0,0|2,0,0]=4 851 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_100000041418_200025704644 [1,1,0,0,0,0|2,0,0]=4 852 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_200025704644_100000041418 [1,1,0,0,0,0|2,0,0]=4 853 B11R1.19 CC(C)(O)c1ccc(cc1)O 271570a_203496583355_100000753367 [1,1,0,0,0,0|1,0,1]=4 854 B11R1.19 CS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000765142 [1,1,0,0,0,0|1,0,1]=4 855 B11R1.19 NS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000701559 [1,1,0,0,0,0|1,0,1]=4 856 B11R1.21 C=C(C)c1ccc(c(c1)Br)O 271570a_100000694244_100012361655 [1,1,0,0,0,0|2,0,0]=4 857 B11R1.21 C=C(C)c1ccc(c(c1)C)O 271570a_100000694244_100000186361 [1,1,0,0,0,0|2,0,0]=4 858 B11R1.21 C=C(C)c1ccc(c(c1)Cl)O 271570a_100000694244_100012360047 [1,1,0,0,0,0|2,0,0]=4 859 B11R1.21 C=C(C)c1ccc(c(c1)F)O 271570a_100000694244_100000185481 [1,1,0,0,0,0|2,0,0]=4 860 B11R1.21 C=C(C)c1ccc(c(c1)N)O 271570a_100000694244_100000752626 [1,1,0,0,0,0|2,0,0]=4 861 B11R1.21 C=C(C)c1ccc(c(c1)O)O 271570a_100000694244_100009813601 [1,1,0,0,0,0|2,0,0]=4 862 B11R1.21 CC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100011011822 [1,1,0,0,0,0|2,0,0]=4 863 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200000210301 [1,1,0,0,0,0|2,0,0]=4 864 B11R1.21 CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_200000210301 [1,1,0,0,0,0|2,0,0]=4 865 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200000210301 [1,1,0,0,0,0|2,0,0]=4 866 B11R1.21 CC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200000210301 [1,1,0,0,0,0|2,0,0]=4 867 B11R1.21 CC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200000210301 [1,1,0,0,0,0|2,0,0]=4 868 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [1,1,0,0,0,0|1,0,0]=3 869 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [1,1,0,0,0,0|1,0,0]=3 870 B11R1.21 CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_200000210301 [1,1,0,0,0,0|2,0,0]=4 871 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_200000210301 [1,1,0,0,0,0|2,0,0]=4 872 B11R1.21 CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_200000210301 [1,1,0,0,0,0|2,0,0]=4 873 B11R1.21 CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_200000210301 [1,1,0,0,0,0|2,0,0]=4 874 B11R1.21 CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_200000210301 [1,1,0,0,0,0|2,0,0]=4 875 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [1,1,0,0,0,0|1,0,0]=3 876 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [1,1,0,0,0,0|1,0,0]=3 877 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200000210301 [1,1,0,0,0,0|2,0,0]=4 878 B11R1.21 CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_200000210301 [1,1,0,0,0,0|2,0,0]=4 879 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200000210301 [1,1,0,0,0,0|2,0,0]=4 880 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200000210301 [1,1,0,0,0,0|2,0,0]=4 881 B11R1.21 CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200000210301 [1,1,0,0,0,0|2,0,0]=4 882 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [1,1,0,0,0,0|1,0,0]=3 883 B11R1.21 CC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200000210301 [1,1,0,0,0,0|2,0,0]=4 884 B11R1.21 CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_200000210301 [1,1,0,0,0,0|2,0,0]=4 885 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200000210301 [1,1,0,0,0,0|2,0,0]=4 886 B11R1.21 CC(=O)c1ccc(c(c1)F)F 1458a_100000209822_200000210301 [1,1,0,0,0,0|2,0,0]=4 887 B11R1.21 CC(=O)c1ccc(c(c1)F)I 1458a_100000062624_200000210301 [1,1,0,0,0,0|2,0,0]=4 888 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [1,1,0,0,0,0|1,0,0]=3 889 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [1,1,0,0,0,0|1,0,0]=3 890 B11R1.21 CC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200000210301 [1,1,0,0,0,0|2,0,0]=4 891 B11R1.21 CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_200000210301 [1,1,0,0,0,0|2,0,0]=4 892 B11R1.21 CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200000210301 [1,1,0,0,0,0|2,0,0]=4 893 B11R1.21 CC(=O)c1ccc(c(c1)I)F 1458a_100000688015_200000210301 [1,1,0,0,0,0|2,0,0]=4 894 B11R1.21 CC(=O)c1ccc(c(c1)I)I 1458a_100000725830_200000210301 [1,1,0,0,0,0|2,0,0]=4 895 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [1,1,0,0,0,0|1,0,0]=3 896 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [1,1,0,0,0,0|1,0,0]=3 897 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000210301 [1,1,0,0,0,0|2,0,0]=4 898 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100010146556 [1,1,0,0,0,0|2,0,0]=4 899 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [1,1,0,0,0,0|2,0,0]=4 900 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [1,1,0,0,0,0|2,0,0]=4 901 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [1,1,0,0,0,0|2,0,0]=4 902 B11R1.21 CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000210301 [1,1,0,0,0,0|2,0,0]=4 903 B11R1.21 CC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000239719 [1,1,0,0,0,0|2,0,0]=4 904 B11R1.21 CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000210301 [1,1,0,0,0,0|2,0,0]=4 905 B11R1.21 CC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100012029215 [1,1,0,0,0,0|2,0,0]=4 906 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [1,1,0,0,0,0|1,0,0]=3 907 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [1,1,0,0,0,0|1,0,0]=3 908 B11R1.21 CC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009864263 [1,1,0,0,0,0|2,0,0]=4 909 B11R1.21 Cc1cc(ccc1Br)C(=O)[13CH3] 1458a_100000692631_200025704644 [1,1,0,0,0,0|2,0,0]=4 910 B11R1.21 Cc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000686306_200025704644 [1,1,0,0,0,0|2,0,0]=4 911 B11R1.21 Cc1cc(ccc1F)C(=O)[13CH3] 1458a_100000751819_200025704644 [1,1,0,0,0,0|2,0,0]=4 912 B11R1.21 Cc1cc(ccc1I)C(=O)[13CH3] 1458a_100000751300_200025704644 [1,1,0,0,0,0|2,0,0]=4 913 B11R1.21 Cc1cc(ccc1O)B(O)O 271570a_203496583355_100010089846 [1,1,0,0,0,0|1,0,1]=4 914 B11R1.21 Cc1cc(ccc1O)C(=O)N 271570a_203496583355_100011218126 [1,1,0,0,0,0|1,0,0]=3 915 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [1,1,0,0,0,0|1,0,0]=3 916 B11R1.21 Cc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000186397_200025704644 [1,1,0,0,0,0|2,0,0]=4 917 B11R1.21 Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100000210898_200025704644 [1,1,0,0,0,0|2,0,0]=4 918 B11R1.21 Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000751740_200025704644 [1,1,0,0,0,0|2,0,0]=4 919 B11R1.21 Cc1ccc(cc1F)C(=O)[13CH3] 1458a_100000212313_200025704644 [1,1,0,0,0,0|2,0,0]=4 920 B11R1.21 Cc1ccc(cc1I)C(=O)[13CH3] 1458a_100000751299_200025704644 [1,1,0,0,0,0|2,0,0]=4 921 B11R1.21 Cc1ccc(cc1O)C(=O)N 271570a_203496583355_100000186401 [1,1,0,0,0,0|2,0,0]=4 922 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [1,1,0,0,0,0|2,0,0]=4 923 B11R1.21 NC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100009814583 [1,1,0,0,0,0|1,0,0]=3 924 B11R1.21 NC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000686215 [1,1,0,0,0,0|1,0,0]=3 925 B11R1.21 NC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011202321 [1,1,0,0,0,0|2,0,0]=4 926 B11R1.21 NC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012344895 [1,1,0,0,0,0|1,0,0]=3 927 B11R1.21 OB(O)c1ccc(c(c1)F)O 271570a_203496583355_100009813512 [1,1,0,0,0,0|1,0,1]=4 928 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200025704644 [1,1,0,0,0,0|2,0,0]=4 929 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200025704644 [1,1,0,0,0,0|2,0,0]=4 930 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200025704644 [1,1,0,0,0,0|2,0,0]=4 931 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200025704644 [1,1,0,0,0,0|2,0,0]=4 932 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [1,1,0,0,0,0|1,0,0]=3 933 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200025704644 [1,1,0,0,0,0|2,0,0]=4 934 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200025704644 [1,1,0,0,0,0|2,0,0]=4 935 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200025704644 [1,1,0,0,0,0|2,0,0]=4 936 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200025704644 [1,1,0,0,0,0|2,0,0]=4 937 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [1,1,0,0,0,0|1,0,0]=3 938 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200025704644 [1,1,0,0,0,0|2,0,0]=4 939 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200025704644 [1,1,0,0,0,0|2,0,0]=4 940 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)F 1458a_100000209822_200025704644 [1,1,0,0,0,0|2,0,0]=4 941 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)I 1458a_100000062624_200025704644 [1,1,0,0,0,0|2,0,0]=4 942 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [1,1,0,0,0,0|1,0,0]=3 943 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200025704644 [1,1,0,0,0,0|2,0,0]=4 944 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200025704644 [1,1,0,0,0,0|2,0,0]=4 945 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)F 1458a_100000688015_200025704644 [1,1,0,0,0,0|2,0,0]=4 946 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)I 1458a_100000725830_200025704644 [1,1,0,0,0,0|2,0,0]=4 947 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [1,1,0,0,0,0|1,0,0]=3 948 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200025704644 [1,1,0,0,0,0|2,0,0]=4 949 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [1,1,0,0,0,0|2,0,0]=4 950 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)F 1458a_100000035894_200025704644 [1,1,0,0,0,0|2,0,0]=4 951 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)I 1458a_100000239334_200025704644 [1,1,0,0,0,0|2,0,0]=4 952 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [1,1,0,0,0,0|1,0,0]=3 953 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [1,1,0,0,0,0|2,0,0]=4 954 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [1,1,0,0,0,0|2,0,0]=4 955 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [1,1,0,0,0,0|2,0,0]=4 956 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [1,1,0,0,0,0|2,0,0]=4 957 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [1,1,0,0,0,0|2,0,0]=4 958 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [1,1,0,0,0,0|1,0,0]=3 959 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [1,1,0,0,0,0|1,0,0]=3 960 B11R1.22 CCC(=O)c1ccc(cn1)O 271570a_203496583355_100012351654 [1,1,0,0,0,0|2,0,0]=4 961 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [1,1,0,0,0,0|1,0,1]=4 962 B11R1.22 CNC(=O)c1ccc(cc1)Br 11a_106832991635_100000185839 [1,1,0,0,0,0|2,0,0]=4 963 B11R1.22 CNC(=O)c1ccc(cc1)Br 1626a_100102657272_100000185839 [1,1,0,0,0,0|2,0,0]=4 964 B11R1.22 CNC(=O)c1ccc(cc1)Br 240690a_100102657272_100000185839 [1,1,0,0,0,0|2,0,0]=4 965 B11R1.22 CNC(=O)c1ccc(cc1)Br 527a_100102657272_100000185839 [1,1,0,0,0,0|2,0,0]=4 966 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [1,1,0,0,0,0|2,0,0]=4 967 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [1,1,0,0,0,0|2,0,0]=4 968 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [1,1,0,0,0,0|2,0,0]=4 969 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [1,1,0,0,0,0|2,0,0]=4 970 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [1,1,0,0,0,0|2,0,0]=4 971 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [1,1,0,0,0,0|2,0,0]=4 972 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [1,1,0,0,0,0|2,0,0]=4 973 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [1,1,0,0,0,0|2,0,0]=4 974 B11R1.22 CNC(=O)c1ccc(cc1)F 11a_106832991635_100000187176 [1,1,0,0,0,0|2,0,0]=4 975 B11R1.22 CNC(=O)c1ccc(cc1)F 1626a_100102657272_100000187176 [1,1,0,0,0,0|2,0,0]=4 976 B11R1.22 CNC(=O)c1ccc(cc1)F 240690a_100102657272_100000187176 [1,1,0,0,0,0|2,0,0]=4 977 B11R1.22 CNC(=O)c1ccc(cc1)F 527a_100102657272_100000187176 [1,1,0,0,0,0|2,0,0]=4 978 B11R1.22 CNC(=O)c1ccc(cc1)I 11a_106832991635_100000187904 [1,1,0,0,0,0|2,0,0]=4 979 B11R1.22 CNC(=O)c1ccc(cc1)I 1626a_100102657272_100000187904 [1,1,0,0,0,0|2,0,0]=4 980 B11R1.22 CNC(=O)c1ccc(cc1)I 240690a_100102657272_100000187904 [1,1,0,0,0,0|2,0,0]=4 981 B11R1.22 CNC(=O)c1ccc(cc1)I 527a_100102657272_100000187904 [1,1,0,0,0,0|2,0,0]=4 982 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [1,1,0,0,0,0|1,0,0]=3 983 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [1,1,0,0,0,0|1,0,0]=3 984 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [1,1,0,0,0,0|1,0,0]=3 985 B11R1.22 CNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781262 [1,1,0,0,0,0|2,0,0]=4 986 B11R1.22 CNC(=O)c1ccc(nc1)O 271570a_203496583355_100000159860 [1,1,0,0,0,0|2,0,0]=4 987 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [1,1,0,0,0,0|0,0,0]=2 988 B11R1.22 COC(=O)c1ccc(cn1)O 271570a_203496583355_100000690920 [1,1,0,0,0,0|1,0,0]=3 989 B11R1.22 COC(=O)c1ccc(nc1)O 271570a_203496583355_100000733799 [1,1,0,0,0,0|1,0,0]=3 990 B11R1.22 COC(=O)c1ccc(nn1)O 271570a_203496583355_100009816182 [1,1,0,0,0,0|2,0,0]=4 991 B11R1.22 COC(=O)c1cnc(cn1)O 271570a_203496583355_100010219404 [1,1,0,0,0,0|2,0,0]=4 992 B11R1.22 COC(=O)c1cnc(nc1)O 271570a_203496583355_100000729365 [1,1,0,0,0,0|2,0,0]=4 993 B11R1.22 COC(=O)c1ncc(cn1)O 271570a_203496583355_100000690087 [1,1,0,0,0,0|2,0,0]=4 994 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [1,1,0,0,0,0|1,0,1]=4 995 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [1,1,0,0,0,0|2,0,0]=4 996 B11R1.22 N#CC(=O)c1ccc(cc1)O 271570a_203496583355_100009994572 [1,1,0,0,0,0|1,0,0]=3 997 B11R1.22 NC(CO)c1ccc(cc1)O 271570a_203496583355_100000734186 [1,1,0,0,0,0|1,0,1]=4 998 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [1,1,0,0,0,0|1,0,0]=3 999 B11R1.22 NCC(O)c1ccc(cc1)O 271570a_203496583355_100020626992 [1,1,0,0,0,0|1,0,1]=4 1000 B11R1.22 NNC(=O)c1ccc(cc1)O 271570a_203496583355_100000183614 [1,1,0,0,0,0|1,0,0]=3 1001 B11R1.22 NNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781063 [1,1,0,0,0,0|2,0,0]=4 1002 B11R1.22 NNC(=O)c1ccc(nc1)O 271570a_203496583355_100000189807 [1,1,0,0,0,0|2,0,0]=4 1003 B11R1.22 O=C(CF)c1ccc(cc1)Br 1458a_100000185839_100015361967 [1,1,0,0,0,0|2,0,0]=4 1004 B11R1.22 O=C(CF)c1ccc(cc1)Cl 1458a_100000210187_100015361967 [1,1,0,0,0,0|2,0,0]=4 1005 B11R1.22 O=C(CF)c1ccc(cc1)F 1458a_100000187176_100015361967 [1,1,0,0,0,0|2,0,0]=4 1006 B11R1.22 O=C(CF)c1ccc(cc1)I 1458a_100000187904_100015361967 [1,1,0,0,0,0|2,0,0]=4 1007 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [1,1,0,0,0,0|1,0,0]=3 1008 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [1,1,0,0,0,0|0,0,0]=2 1009 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [1,1,0,0,0,0|0,0,1]=3 1010 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [1,1,0,0,0,0|0,0,2]=4 1011 B11R1.166 C=C(C)c1ccc(cc1Br)O 271570a_100000694244_100000701344 [1,1,0,0,0,0|2,0,0]=4 1012 B11R1.166 C=C(C)c1ccc(cc1C)O 271570a_100000694244_100000729255 [1,1,0,0,0,0|2,0,0]=4 1013 B11R1.166 C=C(C)c1ccc(cc1Cl)O 271570a_100000694244_100000047559 [1,1,0,0,0,0|2,0,0]=4 1014 B11R1.166 C=C(C)c1ccc(cc1F)O 271570a_100000694244_100000755031 [1,1,0,0,0,0|2,0,0]=4 1015 B11R1.166 C=C(C)c1ccc(cc1N)O 271570a_100000694244_100011999798 [1,1,0,0,0,0|2,0,0]=4 1016 B11R1.166 C=C(C)c1ccc(cc1O)O 271570a_100000694244_100009813921 [1,1,0,0,0,0|2,0,0]=4 1017 B11R1.166 CC(=O)c1ccc(cc1Br)Br 1458a_100000762965_200000210301 [1,1,0,0,0,0|2,0,0]=4 1018 B11R1.166 CC(=O)c1ccc(cc1Br)C 1458a_100000685072_200000210301 [1,1,0,0,0,0|2,0,0]=4 1019 B11R1.166 CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200000210301 [1,1,0,0,0,0|2,0,0]=4 1020 B11R1.166 CC(=O)c1ccc(cc1Br)F 1458a_100000212304_200000210301 [1,1,0,0,0,0|2,0,0]=4 1021 B11R1.166 CC(=O)c1ccc(cc1Br)I 1458a_100012360512_200000210301 [1,1,0,0,0,0|2,0,0]=4 1022 B11R1.166 CC(=O)c1ccc(cc1Br)O 1458a_100012344906_200000210301 [1,1,0,0,0,0|1,0,0]=3 1023 B11R1.166 CC(=O)c1ccc(cc1C)Br 1458a_100000741311_200000210301 [1,1,0,0,0,0|2,0,0]=4 1024 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [1,1,0,0,0,0|2,0,0]=4 1025 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [1,1,0,0,0,0|2,0,0]=4 1026 B11R1.166 CC(=O)c1ccc(cc1C)F 1458a_100000686989_200000210301 [1,1,0,0,0,0|2,0,0]=4 1027 B11R1.166 CC(=O)c1ccc(cc1C)I 1458a_100010189873_200000210301 [1,1,0,0,0,0|2,0,0]=4 1028 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [1,1,0,0,0,0|1,0,0]=3 1029 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [1,1,0,0,0,0|1,0,0]=3 1030 B11R1.166 CC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200000210301 [1,1,0,0,0,0|2,0,0]=4 1031 B11R1.166 CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_200000210301 [1,1,0,0,0,0|2,0,0]=4 1032 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200000210301 [1,1,0,0,0,0|2,0,0]=4 1033 B11R1.166 CC(=O)c1ccc(cc1Cl)F 1458a_100000211397_200000210301 [1,1,0,0,0,0|2,0,0]=4 1034 B11R1.166 CC(=O)c1ccc(cc1Cl)I 1458a_100000751301_200000210301 [1,1,0,0,0,0|2,0,0]=4 1035 B11R1.166 CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_200000210301 [1,1,0,0,0,0|1,0,0]=3 1036 B11R1.166 CC(=O)c1ccc(cc1F)Br 1458a_100000214689_200000210301 [1,1,0,0,0,0|2,0,0]=4 1037 B11R1.166 CC(=O)c1ccc(cc1F)C 1458a_100000766033_200000210301 [1,1,0,0,0,0|2,0,0]=4 1038 B11R1.166 CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_200000210301 [1,1,0,0,0,0|2,0,0]=4 1039 B11R1.166 CC(=O)c1ccc(cc1F)F 1458a_100000211022_200000210301 [1,1,0,0,0,0|2,0,0]=4 1040 B11R1.166 CC(=O)c1ccc(cc1F)I 1458a_100000037189_200000210301 [1,1,0,0,0,0|2,0,0]=4 1041 B11R1.166 CC(=O)c1ccc(cc1F)O 1458a_100000689029_200000210301 [1,1,0,0,0,0|1,0,0]=3 1042 B11R1.166 CC(=O)c1ccc(cc1F)O 271570a_203496583355_100000690205 [1,1,0,0,0,0|1,0,0]=3 1043 B11R1.166 CC(=O)c1ccc(cc1I)Br 1458a_100000751167_200000210301 [1,1,0,0,0,0|2,0,0]=4 1044 B11R1.166 CC(=O)c1ccc(cc1I)C 1458a_100009999607_200000210301 [1,1,0,0,0,0|2,0,0]=4 1045 B11R1.166 CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_200000210301 [1,1,0,0,0,0|2,0,0]=4 1046 B11R1.166 CC(=O)c1ccc(cc1I)F 1458a_100000739341_200000210301 [1,1,0,0,0,0|2,0,0]=4 1047 B11R1.166 CC(=O)c1ccc(cc1N)O 271570a_203496583355_100011590516 [1,1,0,0,0,0|1,0,0]=3 1048 B11R1.166 CC(=O)c1ccc(cc1O)Br 1458a_100000744433_200000210301 [1,1,0,0,0,0|2,0,0]=4 1049 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [1,1,0,0,0,0|2,0,0]=4 1050 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [1,1,0,0,0,0|2,0,0]=4 1051 B11R1.166 CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000210301 [1,1,0,0,0,0|2,0,0]=4 1052 B11R1.166 CC(=O)c1ccc(cc1O)F 1458a_100000746061_200000210301 [1,1,0,0,0,0|2,0,0]=4 1053 B11R1.166 CC(=O)c1ccc(cc1O)F 271570a_203496583355_100000686192 [1,1,0,0,0,0|2,0,0]=4 1054 B11R1.166 CC(=O)c1ccc(cc1O)I 1458a_100000091984_200000210301 [1,1,0,0,0,0|2,0,0]=4 1055 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [1,1,0,0,0,0|1,0,0]=3 1056 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [1,1,0,0,0,0|1,0,0]=3 1057 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [1,1,0,0,0,0|1,0,0]=3 1058 B11R1.166 CC(=O)c1ncc(cc1F)O 271570a_203496583355_100000696590 [1,1,0,0,0,0|2,0,0]=4 1059 B11R1.166 Cc1cc(ccc1B(O)O)O 271570a_203496583355_100010074995 [1,1,0,0,0,0|1,0,1]=4 1060 B11R1.166 Cc1cc(ccc1C(=O)N)O 271570a_203496583355_100011327924 [1,1,0,0,0,0|1,0,0]=3 1061 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Br 1458a_100000741311_200025704644 [1,1,0,0,0,0|2,0,0]=4 1062 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [1,1,0,0,0,0|2,0,0]=4 1063 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])F 1458a_100000686989_200025704644 [1,1,0,0,0,0|2,0,0]=4 1064 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])I 1458a_100010189873_200025704644 [1,1,0,0,0,0|2,0,0]=4 1065 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [1,1,0,0,0,0|1,0,0]=3 1066 B11R1.166 Cc1cc(ncc1C(=O)N)O 271570a_203496583355_200134614278 [1,1,0,0,0,0|2,0,0]=4 1067 B11R1.166 Cc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000685072_200025704644 [1,1,0,0,0,0|2,0,0]=4 1068 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [1,1,0,0,0,0|2,0,0]=4 1069 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000766932_200025704644 [1,1,0,0,0,0|2,0,0]=4 1070 B11R1.166 Cc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000766033_200025704644 [1,1,0,0,0,0|2,0,0]=4 1071 B11R1.166 Cc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100009999607_200025704644 [1,1,0,0,0,0|2,0,0]=4 1072 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [1,1,0,0,0,0|2,0,0]=4 1073 B11R1.166 NC(=O)c1ccc(cc1Br)O 271570a_203496583355_200010146565 [1,1,0,0,0,0|1,0,0]=3 1074 B11R1.166 NC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216903 [1,1,0,0,0,0|1,0,0]=3 1075 B11R1.166 NC(=O)c1ccc(cc1N)O 271570a_203496583355_100012349972 [1,1,0,0,0,0|1,0,0]=3 1076 B11R1.166 NC(=O)c1ccc(cc1O)Br 271570a_203496583355_100009815748 [1,1,0,0,0,0|2,0,0]=4 1077 B11R1.166 NC(=O)c1ccc(cc1O)F 271570a_203496583355_100000206404 [1,1,0,0,0,0|2,0,0]=4 1078 B11R1.166 NC(=O)c1ccc(cc1O)O 271570a_203496583355_100011550861 [1,1,0,0,0,0|1,0,0]=3 1079 B11R1.166 NC(=O)c1ccc(nc1N)O 271570a_203496583355_100009875182 [1,1,0,0,0,0|2,0,0]=4 1080 B11R1.166 NC(=O)c1ncc(cc1F)O 271570a_203496583355_200010161073 [1,1,0,0,0,0|2,0,0]=4 1081 B11R1.166 NC(=O)c1ncc(cc1N)O 271570a_203496583355_100010235749 [1,1,0,0,0,0|2,0,0]=4 1082 B11R1.166 OB(O)c1ccc(cc1F)O 271570a_203496583355_100009813958 [1,1,0,0,0,0|1,0,1]=4 1083 B11R1.166 OB(O)c1ccc(cc1O)O 271570a_203496583355_100010158982 [1,1,0,0,0,0|1,0,1]=4 1084 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Br 1458a_100000762965_200025704644 [1,1,0,0,0,0|2,0,0]=4 1085 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200025704644 [1,1,0,0,0,0|2,0,0]=4 1086 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)F 1458a_100000212304_200025704644 [1,1,0,0,0,0|2,0,0]=4 1087 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)I 1458a_100012360512_200025704644 [1,1,0,0,0,0|2,0,0]=4 1088 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)O 1458a_100012344906_200025704644 [1,1,0,0,0,0|1,0,0]=3 1089 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200025704644 [1,1,0,0,0,0|2,0,0]=4 1090 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200025704644 [1,1,0,0,0,0|2,0,0]=4 1091 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)F 1458a_100000211397_200025704644 [1,1,0,0,0,0|2,0,0]=4 1092 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)I 1458a_100000751301_200025704644 [1,1,0,0,0,0|2,0,0]=4 1093 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)O 1458a_100000702456_200025704644 [1,1,0,0,0,0|1,0,0]=3 1094 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Br 1458a_100000214689_200025704644 [1,1,0,0,0,0|2,0,0]=4 1095 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Cl 1458a_100000212326_200025704644 [1,1,0,0,0,0|2,0,0]=4 1096 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)F 1458a_100000211022_200025704644 [1,1,0,0,0,0|2,0,0]=4 1097 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)I 1458a_100000037189_200025704644 [1,1,0,0,0,0|2,0,0]=4 1098 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)O 1458a_100000689029_200025704644 [1,1,0,0,0,0|1,0,0]=3 1099 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Br 1458a_100000751167_200025704644 [1,1,0,0,0,0|2,0,0]=4 1100 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Cl 1458a_100000739380_200025704644 [1,1,0,0,0,0|2,0,0]=4 1101 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)F 1458a_100000739341_200025704644 [1,1,0,0,0,0|2,0,0]=4 1102 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Br 1458a_100000744433_200025704644 [1,1,0,0,0,0|2,0,0]=4 1103 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Cl 1458a_100000188622_200025704644 [1,1,0,0,0,0|2,0,0]=4 1104 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)F 1458a_100000746061_200025704644 [1,1,0,0,0,0|2,0,0]=4 1105 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)I 1458a_100000091984_200025704644 [1,1,0,0,0,0|2,0,0]=4 1106 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [1,1,0,0,0,0|1,0,0]=3 1107 B13R1.5 C#CC(=O)Cc1ccc(cc1)CO 1458a_100000211873_100000067286 [0,1,0,0,0,1|2,0,0]=4 1108 B13R1.5 C#Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000140223 [0,1,0,0,0,1|2,0,0]=4 1109 B13R1.5 C#Cc1ccc(cc1)NC(=O)CO 22a_100011215031_100000210174 [0,1,0,0,0,1|2,0,0]=4 1110 B13R1.5 C#Cc1ccc(cc1)NC(=O)CO 527a_100011215031_100000210174 [0,1,0,0,0,1|2,0,0]=4 1111 B13R1.5 C=CC(=O)Cc1ccc(cc1)CO 1458a_100000185746_100000067286 [0,1,0,0,0,1|2,0,0]=4 1112 B13R1.5 C=CC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000185746 [0,1,0,0,0,1|2,0,0]=4 1113 B13R1.5 C=Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000034074 [0,1,0,0,0,1|2,0,0]=4 1114 B13R1.5 C=Cc1ccc(cc1)CC(=O)OC 271570a_100011290941_100000149743 [0,1,0,0,0,1|2,0,0]=4 1115 B13R1.5 C=Cc1ccc(cc1)NC(=O)CO 22a_100011218248_100000210174 [0,1,0,0,0,1|2,0,0]=4 1116 B13R1.5 C=Cc1ccc(cc1)NC(=O)CO 527a_100011218248_100000210174 [0,1,0,0,0,1|2,0,0]=4 1117 B13R1.5 C=Cc1ccc(cc1)NC(=O)OC 271570a_100011290941_100000181880 [0,1,0,0,0,1|2,0,0]=4 1118 B13R1.5 CCC(=O)Cc1ccc(cc1)CO 1458a_100000210414_100000067286 [0,1,0,0,0,1|2,0,0]=4 1119 B13R1.5 CCC(=O)Cc1ccc(cc1)CO 1458a_100011356463_100000210202 [0,1,0,0,0,1|2,0,0]=4 1120 B13R1.5 CCC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000210414 [0,1,0,0,0,1|2,0,0]=4 1121 B13R1.5 CCc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000747183 [0,1,0,0,0,1|2,0,0]=4 1122 B13R1.5 CCc1ccc(cc1)NC(=O)CO 22a_100000211069_100000210174 [0,1,0,0,0,1|2,0,0]=4 1123 B13R1.5 CCc1ccc(cc1)NC(=O)CO 527a_100000211069_100000210174 [0,1,0,0,0,1|2,0,0]=4 1124 B13R1.5 CNC(=O)Cc1ccc(cc1)CO 240690a_100102657272_100011356463 [0,1,0,0,0,1|2,0,0]=4 1125 B13R1.5 CNC(=O)Nc1ccc(cc1)CO 2430a_100011215238_100102657272 [0,1,0,0,0,1|2,0,0]=4 1126 B13R1.5 CNc1ccc(cc1)NC(=O)CO 34a_100011269904_200000210301 [0,1,0,0,0,1|2,0,0]=4 1127 B13R1.5 COC(=O)Cc1ccc(cc1)OC 34a_100000211648_200000210301 [0,1,0,0,0,1|2,0,0]=4 1128 B13R1.5 COC(=O)Cc1ccc(cc1)O[13CH3] 34a_100000211648_200025704644 [0,1,0,0,0,1|2,0,0]=4 1129 B13R1.5 COC(=O)Cc1ccc(cc1)SC 62a_100000149743_200000210301 [0,1,0,0,0,1|2,0,0]=4 1130 B13R1.5 COC(=O)Cc1ccc(cc1)SC 62a_200000210301_100000149743 [0,1,0,0,0,1|2,0,0]=4 1131 B13R1.5 COC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000149743_200025704644 [0,1,0,0,0,1|2,0,0]=4 1132 B13R1.5 COC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000149743 [0,1,0,0,0,1|2,0,0]=4 1133 B13R1.5 COC(=O)Nc1ccc(cc1)OC 34a_100011235918_200000210301 [0,1,0,0,0,1|2,0,0]=4 1134 B13R1.5 COC(=O)Nc1ccc(cc1)O[13CH3] 34a_100011235918_200025704644 [0,1,0,0,0,1|2,0,0]=4 1135 B13R1.5 COC(=O)Nc1ccc(cc1)SC 62a_200000210301_100000181880 [0,1,0,0,0,1|2,0,0]=4 1136 B13R1.5 COC(=O)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000181880 [0,1,0,0,0,1|2,0,0]=4 1137 B13R1.5 COc1ccc(cc1)NC(=O)CO 22a_100000184247_100000210174 [0,1,0,0,0,1|2,0,0]=4 1138 B13R1.5 COc1ccc(cc1)NC(=O)CO 527a_100000184247_100000210174 [0,1,0,0,0,1|2,0,0]=4 1139 B13R1.5 CSc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000181263 [0,1,0,0,0,1|2,0,0]=4 1140 B13R1.5 CSc1ccc(cc1)NC(=O)CO 22a_100000212337_100000210174 [0,1,0,0,0,1|2,0,0]=4 1141 B13R1.5 CSc1ccc(cc1)NC(=O)CO 527a_100000212337_100000210174 [0,1,0,0,0,1|2,0,0]=4 1142 B13R1.5 N#Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000184898 [0,1,0,0,0,1|2,0,0]=4 1143 B13R1.5 O=C(CF)Cc1ccc(cc1)CO 1458a_100011356463_100015361967 [0,1,0,0,0,1|2,0,0]=4 1144 B13R1.5 O=C(CO)Cc1ccc(cc1)CO 1458a_100000210174_100000067286 [0,1,0,0,0,1|1,0,0]=3 1145 B13R1.5 O=C(CO)Nc1ccc(cc1)CO 22a_100011215238_100000210174 [0,1,0,0,0,1|1,0,0]=3 1146 B13R1.5 O=Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000075337 [0,1,0,0,0,1|1,0,1]=4 1147 B13R1.5 [13CH3]Nc1ccc(cc1)NC(=O)CO 34a_100011269904_200025704644 [0,1,0,0,0,1|2,0,0]=4 1148 B13R1.35 CC(=O)Nc1ccc(c(c1)C)CO 22a_100000102464_100000070787 [0,1,0,0,0,1|2,0,0]=4 1149 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)CO 22a_100000689119_100000070787 [0,1,0,0,0,1|2,0,0]=4 1150 B13R1.142 CC(=O)Nc1ccc(cc1)CCO 22a_100011204434_100000070787 [0,1,0,0,0,1|2,0,0]=4 1151 B13R1.142 CC(=O)Nc1ccc(cc1)CCO 527a_100011204434_100103153847 [0,1,0,0,0,1|2,0,0]=4 1152 B13R1.142 CC(=O)Nc1ccc(cc1)CO[13CH3] 34a_100000246270_200025704644 [0,1,0,0,0,1|2,0,0]=4 1153 B13R1.142 CC(=O)Nc1ccc(cc1)CO[13CH3] 7a_100000246270_200025704644 [0,1,0,0,0,1|2,0,0]=4 1154 B13R1.142 CNCc1ccc(cc1)CC(=O)O 269956a_100016989728_200000210301 [0,1,0,0,0,1|2,0,0]=4 1155 B13R1.142 COCc1ccc(cc1)CC(=O)C 1458a_100011290826_200000210301 [0,1,0,0,0,1|2,0,0]=4 1156 B13R1.142 COCc1ccc(cc1)CC(=O)[13CH3] 1458a_100011290826_200025704644 [0,1,0,0,0,1|2,0,0]=4 1157 B13R1.142 COCc1ccc(cc1)NC(=O)C 11a_100000694113_100015343762 [0,1,0,0,0,1|2,0,0]=4 1158 B13R1.142 COCc1ccc(cc1)NC(=O)C 1626a_100000694113_100015343762 [0,1,0,0,0,1|2,0,0]=4 1159 B13R1.142 COCc1ccc(cc1)NC(=O)C 22a_100000694113_100000070787 [0,1,0,0,0,1|2,0,0]=4 1160 B13R1.142 COCc1ccc(cc1)NC(=O)C 34a_100000246270_200000210301 [0,1,0,0,0,1|2,0,0]=4 1161 B13R1.142 COCc1ccc(cc1)NC(=O)C 34a_100138415774_100000731167 [0,1,0,0,0,1|2,0,0]=4 1162 B13R1.142 COCc1ccc(cc1)NC(=O)C 527a_100000694113_100103153847 [0,1,0,0,0,1|2,0,0]=4 1163 B13R1.142 COCc1ccc(cc1)NC(=O)C 7a_100000246270_200000210301 [0,1,0,0,0,1|2,0,0]=4 1164 B13R1.142 [13CH3]NCc1ccc(cc1)CC(=O)O 269956a_100016989728_200025704644 [0,1,0,0,0,1|2,0,0]=4 1165 B13R1.585 CC(=O)Cc1ccc(cc1)B(O)O 1458a_100000070787_100009813762 [0,1,0,0,0,1|2,0,0]=4 1166 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)O 22a_100011216399_100000070787 [0,1,0,0,0,1|2,0,0]=4 1167 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)O 527a_100011216399_100103153847 [0,1,0,0,0,1|2,0,0]=4 1168 B13R1.653 CC(=O)Nc1ccc(cc1C)CO 22a_200011997030_100000070787 [0,1,0,0,0,1|2,0,0]=4 1169 B13R1.95 C=Cc1ccc(c(c1)Br)C(=O)OC 271570a_100011290941_100010247156 [0,2,0,0,0,0|2,0,0]=4 1170 B13R1.95 C=Cc1ccc(c(c1)C)C(=O)OC 271570a_100011290941_100000747612 [0,2,0,0,0,0|2,0,0]=4 1171 B13R1.95 C=Cc1ccc(c(c1)Cl)C(=O)OC 271570a_100011290941_100000060724 [0,2,0,0,0,0|2,0,0]=4 1172 B13R1.95 C=Cc1ccc(c(c1)F)C(=O)OC 271570a_100011290941_100000216654 [0,2,0,0,0,0|2,0,0]=4 1173 B13R1.95 C=Cc1ccc(c(c1)N)C(=O)OC 271570a_100011290941_100011373473 [0,2,0,0,0,0|2,0,0]=4 1174 B13R1.95 C=Cc1ccc(c(c1)O)C(=O)OC 271570a_100011290941_100000062286 [0,2,0,0,0,0|2,0,0]=4 1175 B13R1.95 CCC(=O)c1ccc(cc1Cl)CO 1458a_100015659073_100000210202 [0,2,0,0,0,0|2,0,0]=4 1176 B13R1.95 CCC(=O)c1ccc(cc1F)CO 1458a_100011934814_100000210202 [0,2,0,0,0,0|2,0,0]=4 1177 B13R1.95 CNC(=O)c1ccc(cc1Cl)CO 240690a_100102657272_100015659073 [0,2,0,0,0,0|2,0,0]=4 1178 B13R1.95 CNC(=O)c1ccc(cc1F)CO 240690a_100102657272_100011934814 [0,2,0,0,0,0|2,0,0]=4 1179 B13R1.95 COC(=O)c1ccc(cc1Br)OC 34a_100010150825_200000210301 [0,2,0,0,0,0|2,0,0]=4 1180 B13R1.95 COC(=O)c1ccc(cc1Br)OC 7a_100010150825_200000210301 [0,2,0,0,0,0|2,0,0]=4 1181 B13R1.95 COC(=O)c1ccc(cc1Br)O[13CH3] 34a_100010150825_200025704644 [0,2,0,0,0,0|2,0,0]=4 1182 B13R1.95 COC(=O)c1ccc(cc1Br)O[13CH3] 7a_100010150825_200025704644 [0,2,0,0,0,0|2,0,0]=4 1183 B13R1.95 COC(=O)c1ccc(cc1Br)SC 62a_100010247156_200000210301 [0,2,0,0,0,0|2,0,0]=4 1184 B13R1.95 COC(=O)c1ccc(cc1Br)SC 62a_200000210301_100010247156 [0,2,0,0,0,0|2,0,0]=4 1185 B13R1.95 COC(=O)c1ccc(cc1Br)S[13CH3] 62a_100010247156_200025704644 [0,2,0,0,0,0|2,0,0]=4 1186 B13R1.95 COC(=O)c1ccc(cc1Br)S[13CH3] 62a_200025704644_100010247156 [0,2,0,0,0,0|2,0,0]=4 1187 B13R1.95 COC(=O)c1ccc(cc1C)OC 34a_100012000157_200000210301 [0,2,0,0,0,0|2,0,0]=4 1188 B13R1.95 COC(=O)c1ccc(cc1C)OC 7a_100012000157_200000210301 [0,2,0,0,0,0|2,0,0]=4 1189 B13R1.95 COC(=O)c1ccc(cc1C)O[13CH3] 34a_100012000157_200025704644 [0,2,0,0,0,0|2,0,0]=4 1190 B13R1.95 COC(=O)c1ccc(cc1C)O[13CH3] 7a_100012000157_200025704644 [0,2,0,0,0,0|2,0,0]=4 1191 B13R1.95 COC(=O)c1ccc(cc1C)SC 62a_100000747612_200000210301 [0,2,0,0,0,0|2,0,0]=4 1192 B13R1.95 COC(=O)c1ccc(cc1C)SC 62a_200000210301_100000747612 [0,2,0,0,0,0|2,0,0]=4 1193 B13R1.95 COC(=O)c1ccc(cc1C)S[13CH3] 62a_100000747612_200025704644 [0,2,0,0,0,0|2,0,0]=4 1194 B13R1.95 COC(=O)c1ccc(cc1C)S[13CH3] 62a_200025704644_100000747612 [0,2,0,0,0,0|2,0,0]=4 1195 B13R1.95 COC(=O)c1ccc(cc1Cl)OC 34a_100000081488_200000210301 [0,2,0,0,0,0|2,0,0]=4 1196 B13R1.95 COC(=O)c1ccc(cc1Cl)OC 7a_100000081488_200000210301 [0,2,0,0,0,0|2,0,0]=4 1197 B13R1.95 COC(=O)c1ccc(cc1Cl)O[13CH3] 34a_100000081488_200025704644 [0,2,0,0,0,0|2,0,0]=4 1198 B13R1.95 COC(=O)c1ccc(cc1Cl)O[13CH3] 7a_100000081488_200025704644 [0,2,0,0,0,0|2,0,0]=4 1199 B13R1.95 COC(=O)c1ccc(cc1Cl)SC 62a_100000060724_200000210301 [0,2,0,0,0,0|2,0,0]=4 1200 B13R1.95 COC(=O)c1ccc(cc1Cl)SC 62a_200000210301_100000060724 [0,2,0,0,0,0|2,0,0]=4 1201 B13R1.95 COC(=O)c1ccc(cc1Cl)S[13CH3] 62a_100000060724_200025704644 [0,2,0,0,0,0|2,0,0]=4 1202 B13R1.95 COC(=O)c1ccc(cc1Cl)S[13CH3] 62a_200025704644_100000060724 [0,2,0,0,0,0|2,0,0]=4 1203 B13R1.95 COC(=O)c1ccc(cc1F)OC 34a_100011999631_200000210301 [0,2,0,0,0,0|2,0,0]=4 1204 B13R1.95 COC(=O)c1ccc(cc1F)OC 7a_100011999631_200000210301 [0,2,0,0,0,0|2,0,0]=4 1205 B13R1.95 COC(=O)c1ccc(cc1F)O[13CH3] 34a_100011999631_200025704644 [0,2,0,0,0,0|2,0,0]=4 1206 B13R1.95 COC(=O)c1ccc(cc1F)O[13CH3] 7a_100011999631_200025704644 [0,2,0,0,0,0|2,0,0]=4 1207 B13R1.95 COC(=O)c1ccc(cc1F)SC 62a_100000216654_200000210301 [0,2,0,0,0,0|2,0,0]=4 1208 B13R1.95 COC(=O)c1ccc(cc1F)SC 62a_200000210301_100000216654 [0,2,0,0,0,0|2,0,0]=4 1209 B13R1.95 COC(=O)c1ccc(cc1F)S[13CH3] 62a_100000216654_200025704644 [0,2,0,0,0,0|2,0,0]=4 1210 B13R1.95 COC(=O)c1ccc(cc1F)S[13CH3] 62a_200025704644_100000216654 [0,2,0,0,0,0|2,0,0]=4 1211 B13R1.95 COC(=O)c1ccc(cc1N)OC 34a_100000701581_200000210301 [0,2,0,0,0,0|2,0,0]=4 1212 B13R1.95 COC(=O)c1ccc(cc1N)OC 7a_100000701581_200000210301 [0,2,0,0,0,0|2,0,0]=4 1213 B13R1.95 COC(=O)c1ccc(cc1N)O[13CH3] 34a_100000701581_200025704644 [0,2,0,0,0,0|2,0,0]=4 1214 B13R1.95 COC(=O)c1ccc(cc1N)O[13CH3] 7a_100000701581_200025704644 [0,2,0,0,0,0|2,0,0]=4 1215 B13R1.95 COC(=O)c1ccc(cc1N)SC 62a_100011373473_200000210301 [0,2,0,0,0,0|2,0,0]=4 1216 B13R1.95 COC(=O)c1ccc(cc1N)S[13CH3] 62a_100011373473_200025704644 [0,2,0,0,0,0|2,0,0]=4 1217 B13R1.95 COC(=O)c1ccc(cc1O)C#N 271570a_203496583355_100009832033 [0,2,0,0,0,0|2,0,0]=4 1218 B13R1.95 COC(=O)c1ccc(cc1O)C=O 271570a_203496583355_100010630601 [0,2,0,0,0,0|1,0,1]=4 1219 B13R1.95 COC(=O)c1ccc(cc1O)OC 271570a_203496583355_100009815674 [0,2,0,0,0,0|2,0,0]=4 1220 B13R1.95 COC(=O)c1ccc(cc1O)SC 62a_200000210301_100000062286 [0,2,0,0,0,0|2,0,0]=4 1221 B13R1.95 COC(=O)c1ccc(cc1O)S[13CH3] 62a_200025704644_100000062286 [0,2,0,0,0,0|2,0,0]=4 1222 B13R1.95 O=C(CF)c1ccc(cc1Cl)CO 1458a_100015659073_100015361967 [0,2,0,0,0,0|2,0,0]=4 1223 B13R1.95 O=C(CF)c1ccc(cc1F)CO 1458a_100011934814_100015361967 [0,2,0,0,0,0|2,0,0]=4 1224 B13R1.139 C=C=Cc1ccc(cc1)C(=O)CO 271570a_100015277604_100011219529 [0,2,0,0,0,0|2,0,0]=4 1225 B13R1.139 C=C=Cc1ccc(cc1)C(=O)OC 271570a_100015277604_100000150774 [0,2,0,0,0,0|2,0,0]=4 1226 B13R1.139 CC=Cc1ccc(cc1)C(=O)CO 271570a_100016259895_100011219529 [0,2,0,0,0,0|2,0,0]=4 1227 B13R1.139 CC=Cc1ccc(cc1)C(=O)OC 271570a_100016259895_100000150774 [0,2,0,0,0,0|2,0,0]=4 1228 B13R1.139 CCC(=O)c1ccc(cc1)CCO 1458a_100000078963_100000210202 [0,2,0,0,0,0|2,0,0]=4 1229 B13R1.139 CCC(=O)c1ccc(cc1)COC 1458a_100000189608_100000210202 [0,2,0,0,0,0|2,0,0]=4 1230 B13R1.139 CCOc1ccc(cc1)C(=O)OC 34a_100000150123_100000210202 [0,2,0,0,0,0|2,0,0]=4 1231 B13R1.139 CCOc1ccc(cc1)C(=O)OC 7a_100000150123_100000210202 [0,2,0,0,0,0|2,0,0]=4 1232 B13R1.139 CCSc1ccc(cc1)C(=O)CO 62a_100000210202_100011219529 [0,2,0,0,0,0|2,0,0]=4 1233 B13R1.139 CCSc1ccc(cc1)C(=O)CO 62a_100011219529_100000210202 [0,2,0,0,0,0|2,0,0]=4 1234 B13R1.139 CCSc1ccc(cc1)C(=O)OC 62a_100000150774_100000210202 [0,2,0,0,0,0|2,0,0]=4 1235 B13R1.139 CCSc1ccc(cc1)C(=O)OC 62a_100000210202_100000150774 [0,2,0,0,0,0|2,0,0]=4 1236 B13R1.139 CNC(=O)c1ccc(cc1)CCO 1626a_100102657272_100000078963 [0,2,0,0,0,0|2,0,0]=4 1237 B13R1.139 CNC(=O)c1ccc(cc1)CCO 240690a_100102657272_100000078963 [0,2,0,0,0,0|2,0,0]=4 1238 B13R1.139 CNC(=O)c1ccc(cc1)COC 11a_106832991635_100000189608 [0,2,0,0,0,0|2,0,0]=4 1239 B13R1.139 CNC(=O)c1ccc(cc1)COC 1626a_100102657272_100000189608 [0,2,0,0,0,0|2,0,0]=4 1240 B13R1.139 CNC(=O)c1ccc(cc1)COC 240690a_100102657272_100000189608 [0,2,0,0,0,0|2,0,0]=4 1241 B13R1.139 CNC(=O)c1ccc(cc1)COC 34a_100138415774_100000753832 [0,2,0,0,0,0|2,0,0]=4 1242 B13R1.139 CNC(=O)c1ccc(cc1)COC 527a_100102657272_100000189608 [0,2,0,0,0,0|2,0,0]=4 1243 B13R1.139 CNCc1ccc(cc1)C(=O)OC 2230a_106832991635_100000735637 [0,2,0,0,0,0|2,0,0]=4 1244 B13R1.139 CNCc1ccc(cc1)C(=O)OC 26a_100102657272_100000150123 [0,2,0,0,0,0|2,0,0]=4 1245 B13R1.139 CNCc1ccc(cc1)C(=O)OC 270004a_106832991635_100000148700 [0,2,0,0,0,0|2,0,0]=4 1246 B13R1.139 CNCc1ccc(cc1)C(=O)OC 34a_100102657272_100000735637 [0,2,0,0,0,0|2,0,0]=4 1247 B13R1.139 CNCc1ccc(cc1)C(=O)OC 7a_106832991635_100000735637 [0,2,0,0,0,0|2,0,0]=4 1248 B13R1.139 COC(=O)c1ccc(cc1)CO[13CH3] 34a_100000151488_200025704644 [0,2,0,0,0,0|1,0,0]=3 1249 B13R1.139 COC(=O)c1ccc(cc1)CO[13CH3] 7a_100000151488_200025704644 [0,2,0,0,0,0|1,0,0]=3 1250 B13R1.139 COC(=O)c1ccc(cc1)CSC 62a_100000735637_200000210301 [0,2,0,0,0,0|1,1,0]=4 1251 B13R1.139 COC(=O)c1ccc(cc1)CSC 62a_200000210301_100000187170 [0,2,0,0,0,0|1,1,0]=4 1252 B13R1.139 COC(=O)c1ccc(cc1)CS[13CH3] 62a_100000735637_200025704644 [0,2,0,0,0,0|1,1,0]=4 1253 B13R1.139 COC(=O)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000187170 [0,2,0,0,0,0|1,1,0]=4 1254 B13R1.139 COC(=O)c1ccc(cc1)OCF 34a_100000150123_100015361967 [0,2,0,0,0,0|2,0,0]=4 1255 B13R1.139 COC(=O)c1ccc(cc1)OCF 7a_100000150123_100015361967 [0,2,0,0,0,0|2,0,0]=4 1256 B13R1.139 COC(=O)c1ccc(cc1)SCF 62a_100000150774_100015361967 [0,2,0,0,0,0|2,0,0]=4 1257 B13R1.139 COC(=O)c1ccc(cc1)SCF 62a_100015361967_100000150774 [0,2,0,0,0,0|2,0,0]=4 1258 B13R1.139 COC(=O)c1ccc(cn1)CO[13CH3] 34a_100009873365_200025704644 [0,2,0,0,0,0|2,0,0]=4 1259 B13R1.139 COC(=O)c1ccc(cn1)CO[13CH3] 7a_100009873365_200025704644 [0,2,0,0,0,0|2,0,0]=4 1260 B13R1.139 COC(=O)c1ccc(nc1)CO[13CH3] 34a_100000239634_200025704644 [0,2,0,0,0,0|2,0,0]=4 1261 B13R1.139 COCc1ccc(cc1)C(=O)CF 1458a_100000189608_100015361967 [0,2,0,0,0,0|2,0,0]=4 1262 B13R1.139 COCc1ccc(cc1)C(=O)OC 34a_100000151488_200000210301 [0,2,0,0,0,0|1,0,0]=3 1263 B13R1.139 COCc1ccc(cc1)C(=O)OC 34a_100138415774_100000735637 [0,2,0,0,0,0|1,0,0]=3 1264 B13R1.139 COCc1ccc(cc1)C(=O)OC 7a_100000151488_200000210301 [0,2,0,0,0,0|1,0,0]=3 1265 B13R1.139 COCc1ccc(cn1)C(=O)OC 34a_100000239634_200000210301 [0,2,0,0,0,0|2,0,0]=4 1266 B13R1.139 COCc1ccc(cn1)C(=O)OC 34a_100138415774_100010230174 [0,2,0,0,0,0|2,0,0]=4 1267 B13R1.139 COCc1ccc(nc1)C(=O)OC 34a_100009873365_200000210301 [0,2,0,0,0,0|2,0,0]=4 1268 B13R1.139 COCc1ccc(nc1)C(=O)OC 34a_100138415774_100010177729 [0,2,0,0,0,0|2,0,0]=4 1269 B13R1.139 COCc1ccc(nc1)C(=O)OC 7a_100009873365_200000210301 [0,2,0,0,0,0|2,0,0]=4 1270 B13R1.139 O=C(CF)c1ccc(cc1)CCO 1458a_100000078963_100015361967 [0,2,0,0,0,0|2,0,0]=4 1271 B13R1.139 O=C(CO)c1ccc(cc1)SCF 62a_100011219529_100015361967 [0,2,0,0,0,0|2,0,0]=4 1272 B13R1.139 O=C(CO)c1ccc(cc1)SCF 62a_100015361967_100011219529 [0,2,0,0,0,0|2,0,0]=4 1273 B13R1.452 C#CCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000184674 [0,2,0,0,0,0|2,0,0]=4 1274 B13R1.452 C#Cc1ccc(cc1)C(=O)CCO 1458a_100011217615_100000211926 [0,2,0,0,0,0|2,0,0]=4 1275 B13R1.452 C=CCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210623 [0,2,0,0,0,0|2,0,0]=4 1276 B13R1.452 C=Cc1ccc(cc1)C(=O)CCO 1458a_100000687532_100000211926 [0,2,0,0,0,0|2,0,0]=4 1277 B13R1.452 C=Cc1ccc(cc1)C(=O)COC 271570a_100011290941_200011343064 [0,2,0,0,0,0|2,0,0]=4 1278 B13R1.452 C=Cc1ccc(cc1)C(=O)OCC 271570a_100011290941_100000170077 [0,2,0,0,0,0|2,0,0]=4 1279 B13R1.452 CCCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210303 [0,2,0,0,0,0|2,0,0]=4 1280 B13R1.452 CCNC(=O)c1ccc(cc1)CO 240690a_100015525214_100000183892 [0,2,0,0,0,0|2,0,0]=4 1281 B13R1.452 CCOC(=O)c1ccc(cc1)OC 34a_100000169885_200000210301 [0,2,0,0,0,0|2,0,0]=4 1282 B13R1.452 CCOC(=O)c1ccc(cc1)OC 7a_100000169885_200000210301 [0,2,0,0,0,0|2,0,0]=4 1283 B13R1.452 CCOC(=O)c1ccc(cc1)O[13CH3] 34a_100000169885_200025704644 [0,2,0,0,0,0|2,0,0]=4 1284 B13R1.452 CCOC(=O)c1ccc(cc1)O[13CH3] 7a_100000169885_200025704644 [0,2,0,0,0,0|2,0,0]=4 1285 B13R1.452 CCOC(=O)c1ccc(cc1)SC 62a_100000169895_200000210301 [0,2,0,0,0,0|2,0,0]=4 1286 B13R1.452 CCOC(=O)c1ccc(cc1)SC 62a_200000210301_100000169919 [0,2,0,0,0,0|2,0,0]=4 1287 B13R1.452 CCOC(=O)c1ccc(cc1)S[13CH3] 62a_100000169895_200025704644 [0,2,0,0,0,0|2,0,0]=4 1288 B13R1.452 CCOC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000169919 [0,2,0,0,0,0|2,0,0]=4 1289 B13R1.452 CCc1ccc(cc1)C(=O)CCO 1458a_100000211226_100000211926 [0,2,0,0,0,0|2,0,0]=4 1290 B13R1.452 CNNC(=O)c1ccc(cc1)CO 22a_100016993582_100000183892 [0,2,0,0,0,0|2,0,0]=4 1291 B13R1.452 COCC(=O)c1ccc(cc1)C#N 34a_100011592799_200000210301 [0,2,0,0,0,0|2,0,0]=4 1292 B13R1.452 COCC(=O)c1ccc(cc1)OC 34a_200009861119_200000210301 [0,2,0,0,0,0|2,0,0]=4 1293 B13R1.452 COCC(=O)c1ccc(cc1)OC 7a_200009861119_200000210301 [0,2,0,0,0,0|2,0,0]=4 1294 B13R1.452 COCC(=O)c1ccc(cc1)O[13CH3] 34a_200009861119_200025704644 [0,2,0,0,0,0|2,0,0]=4 1295 B13R1.452 COCC(=O)c1ccc(cc1)O[13CH3] 7a_200009861119_200025704644 [0,2,0,0,0,0|2,0,0]=4 1296 B13R1.452 COCC(=O)c1ccc(cc1)SC 34a_100138415774_100011216809 [0,2,0,0,0,0|2,0,0]=4 1297 B13R1.452 COCC(=O)c1ccc(cc1)SC 62a_200011343064_200000210301 [0,2,0,0,0,0|2,0,0]=4 1298 B13R1.452 COCC(=O)c1ccc(cc1)S[13CH3] 62a_200011343064_200025704644 [0,2,0,0,0,0|2,0,0]=4 1299 B13R1.452 COc1ccc(cc1)C(=O)CCO 1458a_100000184203_100000211926 [0,2,0,0,0,0|2,0,0]=4 1300 B13R1.452 CSc1ccc(cc1)C(=O)CCO 1458a_100000189692_100000211926 [0,2,0,0,0,0|2,0,0]=4 1301 B13R1.452 N#CCC(=O)c1ccc(cc1)CO 1458a_100000183892_100011214920 [0,2,0,0,0,0|2,0,0]=4 1302 B13R1.452 N#Cc1ccc(cc1)C(=O)CCO 1458a_100000210717_100000211926 [0,2,0,0,0,0|2,0,0]=4 1303 B13R1.452 O=C(CCF)c1ccc(cc1)CO 1458a_100000183892_100011217306 [0,2,0,0,0,0|2,0,0]=4 1304 B13R1.452 O=C(CCO)c1ccc(cc1)CO 1458a_100000183892_100000211926 [0,2,0,0,0,0|1,0,0]=3 1305 B13R1.452 [13CH3]OCC(=O)c1ccc(cc1)C#N 34a_100011592799_200025704644 [0,2,0,0,0,0|2,0,0]=4 1306 B13R1.537 C=C(C)c1ccc(cc1)C(=O)CO 271570a_100000694244_100011219529 [0,2,0,0,0,0|2,0,0]=4 1307 B13R1.537 C=C(C)c1ccc(cc1)C(=O)OC 271570a_100000694244_100000150774 [0,2,0,0,0,0|2,0,0]=4 1308 B13R1.537 CC(O)c1ccc(cc1)C(=O)CF 1458a_100000076921_100015361967 [0,2,0,0,0,0|2,0,0]=4 1309 B13R1.537 CC(O[13CH3])c1ccc(cc1)C(=O)N 7a_200010363529_200025704644 [0,2,0,0,0,0|2,0,0]=4 1310 B13R1.537 CCC(=O)c1ccc(cc1)C(C)O 1458a_100000076921_100000210202 [0,2,0,0,0,0|2,0,0]=4 1311 B13R1.537 CCN(C)c1ccc(cc1)C(=O)O 269956a_100011218868_200000210301 [0,2,0,0,0,0|2,0,0]=4 1312 B13R1.537 CCN([13CH3])c1ccc(cc1)C(=O)O 269956a_100011218868_200025704644 [0,2,0,0,0,0|2,0,0]=4 1313 B13R1.537 CNC(=O)c1ccc(cc1)C(C)O 240690a_100102657272_100000076921 [0,2,0,0,0,0|2,0,0]=4 1314 B13R1.537 CN[C@@H](C)c1ccc(cc1)C(=O)O 269956a_100020638929_200000210301 [0,2,0,0,0,0|2,0,0]=4 1315 B13R1.537 COC(=O)c1ccc(cc1)C(=O)C 1458a_100000211811_200000210301 [0,2,0,0,0,0|1,0,1]=4 1316 B13R1.537 COC(=O)c1ccc(cc1)C(=O)[13CH3] 1458a_100000211811_200025704644 [0,2,0,0,0,0|1,0,1]=4 1317 B13R1.537 COC(=O)c1ccc(cc1)N(C)C 2230a_100000220287_200000210301 [0,2,0,0,0,0|2,0,0]=4 1318 B13R1.537 COC(=O)c1ccc(cc1)N(C)C 269982a_100000220287_200000210301 [0,2,0,0,0,0|2,0,0]=4 1319 B13R1.537 COC(=O)c1ccc(cc1)N(C)C 34a_100000220287_200000210301 [0,2,0,0,0,0|2,0,0]=4 1320 B13R1.537 COC(=O)c1ccc(cc1)N(C)[13CH3] 2230a_100000220287_200025704644 [0,2,0,0,0,0|2,0,0]=4 1321 B13R1.537 COC(=O)c1ccc(cc1)N(C)[13CH3] 269982a_100000220287_200025704644 [0,2,0,0,0,0|2,0,0]=4 1322 B13R1.537 COC(=O)c1ccc(cc1)N(C)[13CH3] 34a_100000220287_200025704644 [0,2,0,0,0,0|2,0,0]=4 1323 B13R1.537 COC(C)c1ccc(cc1)C(=O)N 7a_200010363529_200000210301 [0,2,0,0,0,0|2,0,0]=4 1324 B13R1.537 C[C@H](N[13CH3])c1ccc(cc1)C(=O)O 269956a_100020638929_200025704644 [0,2,0,0,0,0|2,0,0]=4 1325 B13R1.3088 C=Cc1ccc(cc1Br)C(=O)OC 271570a_100011290941_100011294788 [0,2,0,0,0,0|2,0,0]=4 1326 B13R1.3088 C=Cc1ccc(cc1C)C(=O)OC 271570a_100011290941_100011215878 [0,2,0,0,0,0|2,0,0]=4 1327 B13R1.3088 C=Cc1ccc(cc1Cl)C(=O)OC 271570a_100011290941_100012356344 [0,2,0,0,0,0|2,0,0]=4 1328 B13R1.3088 C=Cc1ccc(cc1F)C(=O)OC 271570a_100011290941_100000703229 [0,2,0,0,0,0|2,0,0]=4 1329 B13R1.3088 C=Cc1ccc(cc1N)C(=O)OC 271570a_100011290941_100011450966 [0,2,0,0,0,0|2,0,0]=4 1330 B13R1.3088 C=Cc1ccc(cc1O)C(=O)OC 271570a_100011290941_100012350776 [0,2,0,0,0,0|2,0,0]=4 1331 B13R1.3088 CCC(=O)c1ccc(c(c1)F)CO 1458a_100000687192_100000210202 [0,2,0,0,0,0|2,0,0]=4 1332 B13R1.3088 CCc1ccc(cc1O)C(=O)OC 271570a_203496583355_200012360130 [0,2,0,0,0,0|2,0,0]=4 1333 B13R1.3088 CNC(=O)c1ccc(c(c1)F)CO 1626a_100102657272_100000687192 [0,2,0,0,0,0|2,0,0]=4 1334 B13R1.3088 CNC(=O)c1ccc(c(c1)F)CO 240690a_100102657272_100000687192 [0,2,0,0,0,0|2,0,0]=4 1335 B13R1.3088 COC(=O)c1ccc(c(c1)Br)OC 34a_100000216328_200000210301 [0,2,0,0,0,0|2,0,0]=4 1336 B13R1.3088 COC(=O)c1ccc(c(c1)Br)OC 7a_100000216328_200000210301 [0,2,0,0,0,0|2,0,0]=4 1337 B13R1.3088 COC(=O)c1ccc(c(c1)Br)O[13CH3] 34a_100000216328_200025704644 [0,2,0,0,0,0|2,0,0]=4 1338 B13R1.3088 COC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100000216328_200025704644 [0,2,0,0,0,0|2,0,0]=4 1339 B13R1.3088 COC(=O)c1ccc(c(c1)Br)SC 62a_100011294788_200000210301 [0,2,0,0,0,0|2,0,0]=4 1340 B13R1.3088 COC(=O)c1ccc(c(c1)Br)SC 62a_200000210301_100011294788 [0,2,0,0,0,0|2,0,0]=4 1341 B13R1.3088 COC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_100011294788_200025704644 [0,2,0,0,0,0|2,0,0]=4 1342 B13R1.3088 COC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100011294788 [0,2,0,0,0,0|2,0,0]=4 1343 B13R1.3088 COC(=O)c1ccc(c(c1)C)OC 34a_100011997373_200000210301 [0,2,0,0,0,0|2,0,0]=4 1344 B13R1.3088 COC(=O)c1ccc(c(c1)C)OC 7a_100011997373_200000210301 [0,2,0,0,0,0|2,0,0]=4 1345 B13R1.3088 COC(=O)c1ccc(c(c1)C)O[13CH3] 34a_100011997373_200025704644 [0,2,0,0,0,0|2,0,0]=4 1346 B13R1.3088 COC(=O)c1ccc(c(c1)C)O[13CH3] 7a_100011997373_200025704644 [0,2,0,0,0,0|2,0,0]=4 1347 B13R1.3088 COC(=O)c1ccc(c(c1)C)SC 62a_100011215878_200000210301 [0,2,0,0,0,0|2,0,0]=4 1348 B13R1.3088 COC(=O)c1ccc(c(c1)C)SC 62a_200000210301_100011215878 [0,2,0,0,0,0|2,0,0]=4 1349 B13R1.3088 COC(=O)c1ccc(c(c1)C)S[13CH3] 62a_100011215878_200025704644 [0,2,0,0,0,0|2,0,0]=4 1350 B13R1.3088 COC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_100011215878 [0,2,0,0,0,0|2,0,0]=4 1351 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)OC 34a_100000151454_200000210301 [0,2,0,0,0,0|2,0,0]=4 1352 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)OC 7a_100000151454_200000210301 [0,2,0,0,0,0|2,0,0]=4 1353 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100000151454_200025704644 [0,2,0,0,0,0|2,0,0]=4 1354 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100000151454_200025704644 [0,2,0,0,0,0|2,0,0]=4 1355 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)SC 62a_100012356344_200000210301 [0,2,0,0,0,0|2,0,0]=4 1356 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)SC 62a_200000210301_100012356344 [0,2,0,0,0,0|2,0,0]=4 1357 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)S[13CH3] 62a_100012356344_200025704644 [0,2,0,0,0,0|2,0,0]=4 1358 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)S[13CH3] 62a_200025704644_100012356344 [0,2,0,0,0,0|2,0,0]=4 1359 B13R1.3088 COC(=O)c1ccc(c(c1)F)OC 34a_100000075456_200000210301 [0,2,0,0,0,0|2,0,0]=4 1360 B13R1.3088 COC(=O)c1ccc(c(c1)F)OC 7a_100000075456_200000210301 [0,2,0,0,0,0|2,0,0]=4 1361 B13R1.3088 COC(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000075456_200025704644 [0,2,0,0,0,0|2,0,0]=4 1362 B13R1.3088 COC(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000075456_200025704644 [0,2,0,0,0,0|2,0,0]=4 1363 B13R1.3088 COC(=O)c1ccc(c(c1)F)SC 62a_100000703229_200000210301 [0,2,0,0,0,0|2,0,0]=4 1364 B13R1.3088 COC(=O)c1ccc(c(c1)F)SC 62a_200000210301_100000703229 [0,2,0,0,0,0|2,0,0]=4 1365 B13R1.3088 COC(=O)c1ccc(c(c1)F)S[13CH3] 62a_100000703229_200025704644 [0,2,0,0,0,0|2,0,0]=4 1366 B13R1.3088 COC(=O)c1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000703229 [0,2,0,0,0,0|2,0,0]=4 1367 B13R1.3088 COC(=O)c1ccc(c(c1)I)OC 34a_100010162523_200000210301 [0,2,0,0,0,0|2,0,0]=4 1368 B13R1.3088 COC(=O)c1ccc(c(c1)I)OC 7a_100010162523_200000210301 [0,2,0,0,0,0|2,0,0]=4 1369 B13R1.3088 COC(=O)c1ccc(c(c1)I)O[13CH3] 34a_100010162523_200025704644 [0,2,0,0,0,0|2,0,0]=4 1370 B13R1.3088 COC(=O)c1ccc(c(c1)I)O[13CH3] 7a_100010162523_200025704644 [0,2,0,0,0,0|2,0,0]=4 1371 B13R1.3088 COC(=O)c1ccc(c(c1)N)OC 34a_100000724433_200000210301 [0,2,0,0,0,0|2,0,0]=4 1372 B13R1.3088 COC(=O)c1ccc(c(c1)N)OC 7a_100000724433_200000210301 [0,2,0,0,0,0|2,0,0]=4 1373 B13R1.3088 COC(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000724433_200025704644 [0,2,0,0,0,0|2,0,0]=4 1374 B13R1.3088 COC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000724433_200025704644 [0,2,0,0,0,0|2,0,0]=4 1375 B13R1.3088 COC(=O)c1ccc(c(c1)N)SC 62a_100011450966_200000210301 [0,2,0,0,0,0|2,0,0]=4 1376 B13R1.3088 COC(=O)c1ccc(c(c1)N)SC 62a_200000210301_100011450966 [0,2,0,0,0,0|2,0,0]=4 1377 B13R1.3088 COC(=O)c1ccc(c(c1)N)S[13CH3] 62a_100011450966_200025704644 [0,2,0,0,0,0|2,0,0]=4 1378 B13R1.3088 COC(=O)c1ccc(c(c1)N)S[13CH3] 62a_200025704644_100011450966 [0,2,0,0,0,0|2,0,0]=4 1379 B13R1.3088 COC(=O)c1ccc(c(c1)O)C#N 271570a_203496583355_100009861381 [0,2,0,0,0,0|2,0,0]=4 1380 B13R1.3088 COC(=O)c1ccc(c(c1)O)C=O 271570a_203496583355_100012179231 [0,2,0,0,0,0|1,0,1]=4 1381 B13R1.3088 COC(=O)c1ccc(c(c1)O)CO 271570a_203496583355_100012355398 [0,2,0,0,0,0|1,0,0]=3 1382 B13R1.3088 COC(=O)c1ccc(c(c1)O)OC 271570a_203496583355_100000189012 [0,2,0,0,0,0|2,0,0]=4 1383 B13R1.3088 COC(=O)c1ccc(c(c1)O)SC 62a_100012350776_200000210301 [0,2,0,0,0,0|2,0,0]=4 1384 B13R1.3088 COC(=O)c1ccc(c(c1)O)SC 62a_200000210301_100012350776 [0,2,0,0,0,0|2,0,0]=4 1385 B13R1.3088 COC(=O)c1ccc(c(c1)O)S[13CH3] 62a_100012350776_200025704644 [0,2,0,0,0,0|2,0,0]=4 1386 B13R1.3088 COC(=O)c1ccc(c(c1)O)S[13CH3] 62a_200025704644_100012350776 [0,2,0,0,0,0|2,0,0]=4 1387 B13R1.3088 O=C(CF)c1ccc(c(c1)F)CO 1458a_100000687192_100015361967 [0,2,0,0,0,0|2,0,0]=4 1388 B13R1.144 COCc1ccc(cc1Br)C(=O)C 34a_100138415774_100010884425 [0,2,0,0,0,0|2,0,0]=4 1389 B13R1.3380 CC(=O)c1cc(c(c(c1)F)CO)F 1458a_200009844098_200000210301 [0,2,0,0,0,0|2,0,0]=4 1390 B13R1.3380 [13CH3]C(=O)c1cc(c(c(c1)F)CO)F 1458a_200009844098_200025704644 [0,2,0,0,0,0|2,0,0]=4 1391 B13R1.74 CC(=O)c1ccc(cc1)COCF 7a_100000082505_100015361967 [0,2,0,0,0,0|2,0,0]=4 1392 B13R1.74 CC(=O)c1ccc(cc1)OCCO 1458a_100000217286_200000210301 [0,2,0,0,0,0|2,0,0]=4 1393 B13R1.74 CC(=O)c1ccc(cc1)OCCO 34a_100000185113_100000211926 [0,2,0,0,0,0|2,0,0]=4 1394 B13R1.74 CC(=O)c1ccc(cc1)OCCO 7a_100000185113_100000211926 [0,2,0,0,0,0|2,0,0]=4 1395 B13R1.74 CC(=O)c1ccc(cc1)SCCO 1458a_200000182347_200000210301 [0,2,0,0,0,0|2,0,0]=4 1396 B13R1.74 CC(=O)c1ccc(cc1)SCCO 62a_100000185465_100000211926 [0,2,0,0,0,0|2,0,0]=4 1397 B13R1.74 CC(=O)c1ccc(cc1)SCCO 62a_100000211926_100000185465 [0,2,0,0,0,0|2,0,0]=4 1398 B13R1.74 CCNCc1ccc(cc1)C(=O)O 269956a_100000181780_100000210202 [0,2,0,0,0,0|2,0,0]=4 1399 B13R1.74 CCOCc1ccc(cc1)C(=O)C 34a_100121572206_100000756337 [0,2,0,0,0,0|2,0,0]=4 1400 B13R1.74 CCOCc1ccc(cc1)C(=O)C 7a_100000082505_100000210202 [0,2,0,0,0,0|2,0,0]=4 1401 B13R1.74 CCOCc1ccc(cc1)C(=O)N 34a_100000162016_100000210202 [0,2,0,0,0,0|2,0,0]=4 1402 B13R1.74 CCOCc1ccc(cc1)C(=O)N 34a_100121572206_100000231043 [0,2,0,0,0,0|2,0,0]=4 1403 B13R1.74 CCOCc1ccc(cc1)C(=O)N 7a_100000162016_100000210202 [0,2,0,0,0,0|2,0,0]=4 1404 B13R1.74 CNCCc1ccc(cc1)C(=O)O 269956a_100000704756_200000210301 [0,2,0,0,0,0|2,0,0]=4 1405 B13R1.74 COCCc1ccc(cc1)C(=O)C 34a_100138415774_200000038727 [0,2,0,0,0,0|2,0,0]=4 1406 B13R1.74 COCOc1ccc(cc1)C(=O)C 1458a_100000230389_200000210301 [0,2,0,0,0,0|2,0,0]=4 1407 B13R1.74 COCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000230389_200025704644 [0,2,0,0,0,0|2,0,0]=4 1408 B13R1.74 COCSc1ccc(cc1)C(=O)C 62a_100000185465_100000766300 [0,2,0,0,0,0|2,0,0]=4 1409 B13R1.74 COCSc1ccc(cc1)C(=O)C 62a_100000766300_100000185465 [0,2,0,0,0,0|2,0,0]=4 1410 B13R1.74 COCSc1ccc(cc1)C(=O)N 62a_100000162191_100000766300 [0,2,0,0,0,0|2,0,0]=4 1411 B13R1.74 COCSc1ccc(cc1)C(=O)N 62a_100000766300_100000162191 [0,2,0,0,0,0|2,0,0]=4 1412 B13R1.74 NC(=O)c1ccc(cc1)COCF 34a_100000162016_100015361967 [0,2,0,0,0,0|2,0,0]=4 1413 B13R1.74 NC(=O)c1ccc(cc1)COCF 7a_100000162016_100015361967 [0,2,0,0,0,0|2,0,0]=4 1414 B13R1.74 NC(=O)c1ccc(cc1)NCCO 27a_100000210304_100000162191 [0,2,0,0,0,0|2,0,0]=4 1415 B13R1.74 NC(=O)c1ccc(cc1)NCCO 34a_100000210537_100000211926 [0,2,0,0,0,0|2,0,0]=4 1416 B13R1.74 NC(=O)c1ccc(cc1)OCCO 34a_100000746352_100000211926 [0,2,0,0,0,0|2,0,0]=4 1417 B13R1.74 NC(=O)c1ccc(cc1)OCCO 7a_100000746352_100000211926 [0,2,0,0,0,0|2,0,0]=4 1418 B13R1.74 NC(=O)c1ccc(cc1)SCCO 62a_100000162191_100000211926 [0,2,0,0,0,0|2,0,0]=4 1419 B13R1.74 NC(=O)c1ccc(cc1)SCCO 62a_100000211926_100000162191 [0,2,0,0,0,0|2,0,0]=4 1420 B13R1.74 O=C(O)c1ccc(cc1)CNCF 269956a_100000181780_100015361967 [0,2,0,0,0,0|2,0,0]=4 1421 B13R1.74 [13CH3]C(=O)c1ccc(cc1)OCCO 1458a_100000217286_200025704644 [0,2,0,0,0,0|2,0,0]=4 1422 B13R1.74 [13CH3]C(=O)c1ccc(cc1)SCCO 1458a_200000182347_200025704644 [0,2,0,0,0,0|2,0,0]=4 1423 B13R1.74 [13CH3]NCCc1ccc(cc1)C(=O)O 269956a_100000704756_200025704644 [0,2,0,0,0,0|2,0,0]=4 1424 B13R2.2121 C=Cc1ccc2[nH]c(=O)oc2c1 271570a_100011290941_100000697996 [0,0,0,1,0,1|2,0,0]=4 1425 B13R2.2121 COc1ccc2[nH]c(=O)oc2c1 7a_200000068749_200000210301 [0,0,0,1,0,1|2,0,0]=4 1426 B13R2.2121 CSc1ccc2[nH]c(=O)oc2c1 62a_200000210301_100000697996 [0,0,0,1,0,1|2,0,0]=4 1427 B13R2.2121 [13CH3]Oc1ccc2[nH]c(=O)oc2c1 7a_200000068749_200025704644 [0,0,0,1,0,1|2,0,0]=4 1428 B13R2.2121 [13CH3]Sc1ccc2[nH]c(=O)oc2c1 62a_200025704644_100000697996 [0,0,0,1,0,1|2,0,0]=4 1429 B13R2.2130 C=Cc1ccc2c(c1)COC2=O 271570a_100011290941_100009816608 [0,1,0,1,0,0|2,0,0]=4 1430 B13R2.2130 C=Cc1ccc2c(c1)OCC2=O 271570a_100011290941_100000686717 [0,1,0,1,0,0|2,0,0]=4 1431 B13R2.2130 COc1ccc2c(c1)COC2=O 7a_100000044543_200000210301 [0,1,0,1,0,0|2,0,0]=4 1432 B13R2.2130 CSc1ccc2c(c1)COC2=O 62a_100009816608_200000210301 [0,1,0,1,0,0|2,0,0]=4 1433 B13R2.2130 CSc1ccc2c(c1)OCC2=O 62a_200000210301_100000686717 [0,1,0,1,0,0|2,0,0]=4 1434 B13R2.2130 [13CH3]Oc1ccc2c(c1)COC2=O 7a_100000044543_200025704644 [0,1,0,1,0,0|2,0,0]=4 1435 B13R2.2130 [13CH3]Sc1ccc2c(c1)COC2=O 62a_100009816608_200025704644 [0,1,0,1,0,0|2,0,0]=4 1436 B13R2.2130 [13CH3]Sc1ccc2c(c1)OCC2=O 62a_200025704644_100000686717 [0,1,0,1,0,0|2,0,0]=4 1437 B13R2.430 CC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200000210301 [0,1,0,1,0,0|2,0,0]=4 1438 B13R2.430 CC(=O)c1ccc2ccoc2c1 1458a_100000077109_200000210301 [0,1,0,1,0,0|2,0,0]=4 1439 B13R2.430 CC(=O)c1ccc2ncoc2c1 1458a_100000750374_200000210301 [0,1,0,1,0,0|2,0,0]=4 1440 B13R2.430 CC(=O)c1ccc2nonc2c1 1458a_100000031939_200000210301 [0,1,0,1,0,0|2,0,0]=4 1441 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200025704644 [0,1,0,1,0,0|2,0,0]=4 1442 B13R2.430 [13CH3]C(=O)c1ccc2ccoc2c1 1458a_100000077109_200025704644 [0,1,0,1,0,0|2,0,0]=4 1443 B13R2.430 [13CH3]C(=O)c1ccc2ncoc2c1 1458a_100000750374_200025704644 [0,1,0,1,0,0|2,0,0]=4 1444 B13R2.430 [13CH3]C(=O)c1ccc2nonc2c1 1458a_100000031939_200025704644 [0,1,0,1,0,0|2,0,0]=4 1445 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [1,0,0,0,1,0|2,0,0]=4 1446 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [1,0,0,0,1,0|2,0,0]=4 1447 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [1,0,0,0,1,0|2,0,0]=4 1448 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [1,0,0,0,1,0|2,0,0]=4 1449 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [1,0,0,0,1,0|2,0,0]=4 1450 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [1,0,0,0,1,0|2,0,0]=4 1451 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [1,0,0,0,1,0|2,0,0]=4 1452 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [1,0,0,0,1,0|2,0,0]=4 1453 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [1,0,0,0,1,0|2,0,0]=4 1454 B9R1.35 NC(=O)c1csc(c1)O 271570a_203496583355_100000747962 [1,0,0,0,1,0|2,0,0]=4 1455 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [1,0,0,0,0,1|2,0,0]=4 1456 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [1,0,0,0,0,1|2,0,0]=4 1457 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [1,0,0,0,0,1|2,0,0]=4 1458 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [1,0,0,0,0,1|2,0,0]=4 1459 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [1,0,0,0,0,1|2,0,0]=4 1460 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [1,0,0,0,0,1|2,0,0]=4 1461 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [1,0,0,0,0,1|2,0,0]=4 1462 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [1,0,0,0,0,1|2,0,0]=4 1463 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [1,0,0,0,0,1|2,0,0]=4 1464 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [1,0,0,0,0,1|2,0,0]=4 1465 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [1,0,0,0,0,1|2,0,0]=4 1466 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [1,0,0,0,0,1|1,0,0]=3 1467 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [1,0,0,0,0,1|1,0,0]=3 1468 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [1,0,0,0,0,1|2,0,0]=4 1469 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [1,0,0,0,0,1|2,0,0]=4 1470 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [1,0,0,0,0,1|2,0,0]=4 1471 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [1,0,0,0,0,1|2,0,0]=4 1472 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [1,0,0,0,0,1|2,0,0]=4 1473 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [1,0,0,0,0,1|2,0,0]=4 1474 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [1,0,0,0,0,1|2,0,0]=4 1475 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [1,0,0,0,0,1|2,0,0]=4 1476 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [1,0,0,0,0,1|2,0,0]=4 1477 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [1,0,0,0,0,1|2,0,0]=4 1478 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [1,0,0,0,0,1|2,0,0]=4 1479 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [1,0,0,0,0,1|2,0,0]=4 1480 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [1,0,0,0,0,1|2,0,0]=4 1481 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [1,0,0,0,0,1|2,0,0]=4 1482 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [1,0,0,0,0,1|2,0,0]=4 1483 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [1,0,0,0,0,1|2,0,0]=4 1484 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [1,0,0,0,0,1|2,0,0]=4 1485 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [1,0,0,0,0,1|2,0,0]=4 1486 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [1,0,0,0,0,1|2,0,0]=4 1487 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [1,0,0,0,0,1|2,0,0]=4 1488 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [1,0,0,0,0,1|1,0,0]=3 1489 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [1,0,0,0,0,1|1,0,0]=3 1490 B11R1.20 CC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000193312 [1,0,0,0,0,1|2,0,0]=4 1491 B11R1.20 CC(=O)Nc1ccc(nc1)O 271570a_203496583355_100011934715 [1,0,0,0,0,1|2,0,0]=4 1492 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [1,0,0,0,0,1|1,0,0]=3 1493 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [1,0,0,0,0,1|1,0,0]=3 1494 B11R1.20 CC(=S)Oc1ccc(cc1)O 271570a_203496583355_200009816735 [1,0,0,0,0,1|1,1,0]=4 1495 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [1,0,0,0,0,1|2,0,0]=4 1496 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [1,0,0,0,0,1|1,0,0]=3 1497 B11R1.20 NC(=O)Cc1ccc(cn1)O 271570a_203496583355_200010888337 [1,0,0,0,0,1|2,0,0]=4 1498 B11R1.20 NC(=O)Cc1ccc(nc1)O 271570a_203496583355_200000071513 [1,0,0,0,0,1|2,0,0]=4 1499 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [1,0,0,0,0,1|1,0,0]=3 1500 B11R1.20 Oc1ccc(cc1)C=C(Br)Br 271570a_203496583355_200013992848 [1,0,0,0,0,1|2,0,0]=4 1501 B11R1.20 Oc1ccc(cc1)C=C(F)F 271570a_203496583355_200009816947 [1,0,0,0,0,1|2,0,0]=4 1502 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [1,0,0,0,0,1|2,0,0]=4 1503 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [1,0,0,0,0,1|2,0,0]=4 1504 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [1,0,0,0,0,1|2,0,0]=4 1505 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [1,0,0,0,0,1|2,0,0]=4 1506 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [1,0,0,0,0,1|1,0,0]=3 1507 B11R1.266 CC(=O)c1cccc(c1)CO 1458a_100000746274_200000210301 [0,0,0,0,1,1|2,0,0]=4 1508 B11R1.266 [13CH3]C(=O)c1cccc(c1)CO 1458a_100000746274_200025704644 [0,0,0,0,1,1|2,0,0]=4 1509 B13R1.3 CC(=O)COc1ccc(cc1)CO 1458a_100000730898_200000210301 [0,0,0,0,0,2|2,0,0]=4 1510 B13R1.3 CC(=O)NCc1ccc(cc1)CO 240690a_100015189231_100015343762 [0,0,0,0,0,2|2,0,0]=4 1511 B13R1.3 CC(=O)NCc1ccc(cc1)CO 527a_100015189231_100103153847 [0,0,0,0,0,2|2,0,0]=4 1512 B13R1.3 CC(=O)NN=C1C=CC(=NO)C=C1 4a_100000189765_200000095120 [0,0,0,0,0,2|2,0,0]=4 1513 B13R1.3 NC(=O)CNc1ccc(cc1)CO 2230a_100011215238_100000747473 [0,0,0,0,0,2|2,0,0]=4 1514 B13R1.3 NC(=O)CNc1ccc(cc1)CO 34a_100011215238_100000187820 [0,0,0,0,0,2|2,0,0]=4 1515 B13R1.3 NC(=O)COc1ccc(cc1)CO 34a_100000211755_100000187820 [0,0,0,0,0,2|2,0,0]=4 1516 B13R1.3 NC(=O)CSc1ccc(cc1)CO 62a_100000690907_100000747473 [0,0,0,0,0,2|2,0,0]=4 1517 B13R1.3 NC(=O)CSc1ccc(cc1)CO 62a_100000747473_100000690907 [0,0,0,0,0,2|2,0,0]=4 1518 B13R1.3 O=C([O-])CNc1ccc(cc1)CO 34a_100011215238_100020667443 [0,0,0,0,0,2|1,0,1]=4 1519 B13R1.3 O=C([O-])COc1ccc(cc1)CO 34a_100000211755_100020667443 [0,0,0,0,0,2|1,0,1]=4 1520 B13R1.3 O=C([O-])CSc1ccc(cc1)CO 62a_100000690907_100020667443 [0,0,0,0,0,2|1,0,1]=4 1521 B13R1.3 O=C([O-])CSc1ccc(cc1)CO 62a_100020667443_100000690907 [0,0,0,0,0,2|1,0,1]=4 1522 B13R1.3 [13CH3]C(=O)COc1ccc(cc1)CO 1458a_100000730898_200025704644 [0,0,0,0,0,2|2,0,0]=4