0 B11R1.3 C#Cc1ccc(cc1)C(=O)C 1458a_100011217615_200000210301 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.3 C#Cc1ccc(cc1)C(=O)[13CH3] 1458a_100011217615_200025704644 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.3 C=C(C)c1ccc(cc1)C#N 271570a_100000694244_100000179745 [0,0,0,0,0,0|2,0,2]=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|3,0,0]=3 5 B11R1.3 C=C(C)c1ccc(cc1)CF 271570a_100000694244_100010268989 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.3 C=C(C)c1ccc(cc1)CN 271570a_100000694244_100016989417 [0,0,0,0,0,0|2,0,0]=2 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|3,0,0]=3 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)CC 271570a_100000694244_100009843584 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.3 C=C(C)c1ccc(cn1)CN 271570a_100000694244_100009817727 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.3 C=C(C)c1ccc(cn1)CO 271570a_100000694244_100009816760 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.3 C=C(C)c1ccc(cn1)NN 271570a_100000694244_100000119030 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.3 C=C(C)c1ccc(nc1)CC 271570a_100000694244_100009820025 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.3 C=C(C)c1ccc(nc1)CN 271570a_100000694244_100015188789 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.3 C=C(C)c1ccc(nc1)CO 271570a_100000694244_100000754261 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.3 C=C(C)c1ccc(nc1)NN 271570a_100000694244_100000750576 [0,0,0,0,0,0|4,0,0]=4 28 B11R1.3 C=C(C)c1cnc(nc1)CN 271570a_100000694244_200016993442 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.3 C=Cc1ccc(cc1)B(O)O 271570a_100011290941_100000754493 [0,0,0,0,0,0|2,0,2]=4 30 B11R1.3 C=Cc1ccc(cc1)C(=C)C 271570a_100011290941_100000185454 [0,0,0,0,0,0|3,0,1]=4 31 B11R1.3 C=Cc1ccc(cc1)C(=O)C 1458a_100000687532_200000210301 [0,0,0,0,0,0|2,0,1]=3 32 B11R1.3 C=Cc1ccc(cc1)C(=O)C 271570a_100011290941_100000185465 [0,0,0,0,0,0|2,0,1]=3 33 B11R1.3 C=Cc1ccc(cc1)C(=O)N 271570a_100011290941_100000162191 [0,0,0,0,0,0|2,0,1]=3 34 B11R1.3 C=Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000687532_200025704644 [0,0,0,0,0,0|2,0,1]=3 35 B11R1.3 C=Cc1ccc(cc1)C(C)O 271570a_100011290941_100000745893 [0,0,0,0,0,0|2,0,2]=4 36 B11R1.3 C=Cc1ccc(cc1)S(=O)C 271570a_100011290941_100009816266 [0,0,0,0,0,0|3,0,1]=4 37 B11R1.3 C=Cc1ccc(cn1)C(=O)C 271570a_100011290941_100000684857 [0,0,0,0,0,0|3,0,1]=4 38 B11R1.3 C=Cc1ccc(cn1)C(=O)N 271570a_100011290941_100000162237 [0,0,0,0,0,0|3,0,1]=4 39 B11R1.3 C=Cc1ccc(nc1)C(=O)C 271570a_100011290941_100000686046 [0,0,0,0,0,0|3,0,1]=4 40 B11R1.3 C=Cc1ccc(nc1)C(=O)N 271570a_100011290941_100011219284 [0,0,0,0,0,0|3,0,1]=4 41 B11R1.3 CC(=O)c1ccc(cc1)C#N 1458a_100000210717_200000210301 [0,0,0,0,0,0|1,0,2]=3 42 B11R1.3 CC(=O)c1ccc(cc1)CO 1458a_100000183892_200000210301 [0,0,0,0,0,0|2,0,0]=2 43 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 34a_100000185113_200025704644 [0,0,0,0,0,0|3,0,0]=3 44 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 7a_100000185113_200025704644 [0,0,0,0,0,0|3,0,0]=3 45 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_100000185465_200025704644 [0,0,0,0,0,0|3,0,0]=3 46 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185465 [0,0,0,0,0,0|3,0,0]=3 47 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 34a_100012001710_200025704644 [0,0,0,0,0,0|4,0,0]=4 48 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 7a_100012001710_200025704644 [0,0,0,0,0,0|4,0,0]=4 49 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_100000686046_200025704644 [0,0,0,0,0,0|4,0,0]=4 50 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100000686046 [0,0,0,0,0,0|4,0,0]=4 51 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_100000684857_200025704644 [0,0,0,0,0,0|4,0,0]=4 52 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000684857 [0,0,0,0,0,0|4,0,0]=4 53 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 2230a_100011216399_200025704644 [0,0,0,0,0,0|3,0,1]=4 54 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 34a_100011216399_200025704644 [0,0,0,0,0,0|3,0,1]=4 55 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 34a_100000754508_200025704644 [0,0,0,0,0,0|3,0,1]=4 56 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 7a_100000754508_200025704644 [0,0,0,0,0,0|3,0,1]=4 57 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_100000745893_200025704644 [0,0,0,0,0,0|3,0,1]=4 58 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000745893 [0,0,0,0,0,0|3,0,1]=4 59 B11R1.3 CCc1ccc(cc1)C(=O)C 1458a_100000211226_200000210301 [0,0,0,0,0,0|2,0,0]=2 60 B11R1.3 CCc1ccc(cc1)C(=O)[13CH3] 1458a_100000211226_200025704644 [0,0,0,0,0,0|2,0,0]=2 61 B11R1.3 CNc1ccc(cc1)C(=O)N 27a_100102657272_100000162191 [0,0,0,0,0,0|3,0,0]=3 62 B11R1.3 CNc1ccc(cc1)C(=O)N 34a_100000210537_200000210301 [0,0,0,0,0,0|3,0,0]=3 63 B11R1.3 CNc1ccc(cc1)C(C)O 2230a_100011216399_200000210301 [0,0,0,0,0,0|3,0,1]=4 64 B11R1.3 CNc1ccc(cc1)C(C)O 34a_100011216399_200000210301 [0,0,0,0,0,0|3,0,1]=4 65 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200000210301 [0,0,0,0,0,0|3,0,1]=4 66 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200000210301 [0,0,0,0,0,0|3,0,1]=4 67 B11R1.3 CNc1ccc(cn1)C(=O)C 27a_100102657272_100000690552 [0,0,0,0,0,0|4,0,0]=4 68 B11R1.3 CNc1ccc(cn1)C(=O)N 27a_100102657272_100000162237 [0,0,0,0,0,0|4,0,0]=4 69 B11R1.3 COc1ccc(cc1)C(=O)C 1458a_100000184203_200000210301 [0,0,0,0,0,0|3,0,0]=3 70 B11R1.3 COc1ccc(cc1)C(=O)C 34a_100000185113_200000210301 [0,0,0,0,0,0|3,0,0]=3 71 B11R1.3 COc1ccc(cc1)C(=O)C 7a_100000185113_200000210301 [0,0,0,0,0,0|3,0,0]=3 72 B11R1.3 COc1ccc(cc1)C(=O)N 34a_100000746352_200000210301 [0,0,0,0,0,0|3,0,0]=3 73 B11R1.3 COc1ccc(cc1)C(=O)N 7a_100000746352_200000210301 [0,0,0,0,0,0|3,0,0]=3 74 B11R1.3 COc1ccc(cc1)C(=O)[13CH3] 1458a_100000184203_200025704644 [0,0,0,0,0,0|3,0,0]=3 75 B11R1.3 COc1ccc(cc1)C(C)O 34a_100000754508_200000210301 [0,0,0,0,0,0|3,0,1]=4 76 B11R1.3 COc1ccc(cc1)C(C)O 7a_100000754508_200000210301 [0,0,0,0,0,0|3,0,1]=4 77 B11R1.3 COc1ccc(cc1)S(=O)C 34a_200000064373_200000210301 [0,0,0,0,0,0|4,0,0]=4 78 B11R1.3 COc1ccc(cc1)S(=O)C 7a_200000064373_200000210301 [0,0,0,0,0,0|4,0,0]=4 79 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200000210301 [0,0,0,0,0,0|3,0,1]=4 80 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200000210301 [0,0,0,0,0,0|3,0,1]=4 81 B11R1.3 COc1ccc(nc1)C(=O)C 34a_100012001710_200000210301 [0,0,0,0,0,0|4,0,0]=4 82 B11R1.3 COc1ccc(nc1)C(=O)C 7a_100012001710_200000210301 [0,0,0,0,0,0|4,0,0]=4 83 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 34a_200000064373_200025704644 [0,0,0,0,0,0|4,0,0]=4 84 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 7a_200000064373_200025704644 [0,0,0,0,0,0|4,0,0]=4 85 B11R1.3 CS(=O)c1ccc(cc1)S[13CH3] 62a_100009816266_200025704644 [0,0,0,0,0,0|4,0,0]=4 86 B11R1.3 CSc1ccc(cc1)B(O)O 62a_100000754493_200000210301 [0,0,0,0,0,0|3,0,1]=4 87 B11R1.3 CSc1ccc(cc1)B(O)O 62a_200000210301_100000754493 [0,0,0,0,0,0|3,0,1]=4 88 B11R1.3 CSc1ccc(cc1)C(=O)C 1458a_100000189692_200000210301 [0,0,0,0,0,0|3,0,0]=3 89 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_100000185465_200000210301 [0,0,0,0,0,0|3,0,0]=3 90 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_200000210301_100000185465 [0,0,0,0,0,0|3,0,0]=3 91 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_100000162191_200000210301 [0,0,0,0,0,0|3,0,0]=3 92 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_200000210301_100000162191 [0,0,0,0,0,0|3,0,0]=3 93 B11R1.3 CSc1ccc(cc1)C(=O)[13CH3] 1458a_100000189692_200025704644 [0,0,0,0,0,0|3,0,0]=3 94 B11R1.3 CSc1ccc(cc1)C(C)O 62a_100000745893_200000210301 [0,0,0,0,0,0|3,0,1]=4 95 B11R1.3 CSc1ccc(cc1)C(C)O 62a_200000210301_100000745893 [0,0,0,0,0,0|3,0,1]=4 96 B11R1.3 CSc1ccc(cc1)S(=O)C 62a_100009816266_200000210301 [0,0,0,0,0,0|4,0,0]=4 97 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_100000684857_200000210301 [0,0,0,0,0,0|4,0,0]=4 98 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_200000210301_100000684857 [0,0,0,0,0,0|4,0,0]=4 99 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_100000162237_200000210301 [0,0,0,0,0,0|4,0,0]=4 100 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_200000210301_100000162237 [0,0,0,0,0,0|4,0,0]=4 101 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_100000686046_200000210301 [0,0,0,0,0,0|4,0,0]=4 102 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_200000210301_100000686046 [0,0,0,0,0,0|4,0,0]=4 103 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_100011219284_200000210301 [0,0,0,0,0,0|4,0,0]=4 104 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_200000210301_100011219284 [0,0,0,0,0,0|4,0,0]=4 105 B11R1.3 [13CH3]C(=O)c1ccc(cc1)C#N 1458a_100000210717_200025704644 [0,0,0,0,0,0|1,0,2]=3 106 B11R1.3 [13CH3]C(=O)c1ccc(cc1)CO 1458a_100000183892_200025704644 [0,0,0,0,0,0|2,0,0]=2 107 B11R1.3 [13CH3]Nc1ccc(cc1)C(=O)N 34a_100000210537_200025704644 [0,0,0,0,0,0|3,0,0]=3 108 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200025704644 [0,0,0,0,0,0|3,0,1]=4 109 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200025704644 [0,0,0,0,0,0|3,0,1]=4 110 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 34a_100000746352_200025704644 [0,0,0,0,0,0|3,0,0]=3 111 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 7a_100000746352_200025704644 [0,0,0,0,0,0|3,0,0]=3 112 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200025704644 [0,0,0,0,0,0|3,0,1]=4 113 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200025704644 [0,0,0,0,0,0|3,0,1]=4 114 B11R1.3 [13CH3]Sc1ccc(cc1)B(O)O 62a_100000754493_200025704644 [0,0,0,0,0,0|3,0,1]=4 115 B11R1.3 [13CH3]Sc1ccc(cc1)B(O)O 62a_200025704644_100000754493 [0,0,0,0,0,0|3,0,1]=4 116 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_100000162191_200025704644 [0,0,0,0,0,0|3,0,0]=3 117 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_200025704644_100000162191 [0,0,0,0,0,0|3,0,0]=3 118 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_100000162237_200025704644 [0,0,0,0,0,0|4,0,0]=4 119 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_200025704644_100000162237 [0,0,0,0,0,0|4,0,0]=4 120 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_100011219284_200025704644 [0,0,0,0,0,0|4,0,0]=4 121 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_200025704644_100011219284 [0,0,0,0,0,0|4,0,0]=4 122 B10R1.3 C=Cc1ccc(cc1)C#N 271570a_100011290941_100000179745 [1,0,0,0,0,0|1,0,2]=4 123 B10R1.3 C=Cc1ccc(cc1)C=O 271570a_100011290941_100000186029 [1,0,0,0,0,0|1,0,1]=3 124 B10R1.3 C=Cc1ccc(cc1)CC 271570a_100011290941_100011215824 [1,0,0,0,0,0|2,0,0]=3 125 B10R1.3 C=Cc1ccc(cc1)CF 271570a_100011290941_100010268989 [1,0,0,0,0,0|2,0,0]=3 126 B10R1.3 C=Cc1ccc(cc1)CN 271570a_100011290941_100016989417 [1,0,0,0,0,0|1,0,0]=2 127 B10R1.3 C=Cc1ccc(cc1)CO 271570a_100011290941_100000690907 [1,0,0,0,0,0|2,0,0]=3 128 B10R1.3 C=Cc1ccc(cc1)NC 271570a_100011290941_100000219623 [1,0,0,0,0,0|3,0,0]=4 129 B10R1.3 C=Cc1ccc(cc1)NC 34a_100011218248_200000210301 [1,0,0,0,0,0|3,0,0]=4 130 B10R1.3 C=Cc1ccc(cc1)NN 271570a_100011290941_100016988836 [1,0,0,0,0,0|2,0,0]=3 131 B10R1.3 C=Cc1ccc(cc1)N[13CH3] 34a_100011218248_200025704644 [1,0,0,0,0,0|3,0,0]=4 132 B10R1.3 C=Cc1ccc(cc1)OC 271570a_100011290941_100000171711 [1,0,0,0,0,0|3,0,0]=4 133 B10R1.3 C=Cc1ccc(cc1)OC 34a_100000189437_200000210301 [1,0,0,0,0,0|3,0,0]=4 134 B10R1.3 C=Cc1ccc(cc1)OC 7a_100000189437_200000210301 [1,0,0,0,0,0|3,0,0]=4 135 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 34a_100000189437_200025704644 [1,0,0,0,0,0|3,0,0]=4 136 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 7a_100000189437_200025704644 [1,0,0,0,0,0|3,0,0]=4 137 B10R1.3 C=Cc1ccc(cc1)SC 271570a_100011290941_100011263217 [1,0,0,0,0,0|3,0,0]=4 138 B10R1.3 C=Cc1ccc(cc1)SC 62a_100000748128_200000210301 [1,0,0,0,0,0|3,0,0]=4 139 B10R1.3 C=Cc1ccc(cc1)SC 62a_200000210301_100000748128 [1,0,0,0,0,0|3,0,0]=4 140 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_100000748128_200025704644 [1,0,0,0,0,0|3,0,0]=4 141 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000748128 [1,0,0,0,0,0|3,0,0]=4 142 B10R1.3 C=Cc1ccc(cn1)C=O 271570a_100011290941_100000766901 [1,0,0,0,0,0|2,0,1]=4 143 B10R1.3 C=Cc1ccc(cn1)CC 271570a_100011290941_100009843584 [1,0,0,0,0,0|3,0,0]=4 144 B10R1.3 C=Cc1ccc(cn1)CN 271570a_100011290941_100009817727 [1,0,0,0,0,0|2,0,0]=3 145 B10R1.3 C=Cc1ccc(cn1)CO 271570a_100011290941_100009816760 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.3 C=Cc1ccc(cn1)NN 271570a_100011290941_100000119030 [1,0,0,0,0,0|3,0,0]=4 147 B10R1.3 C=Cc1ccc(nc1)C=O 271570a_100011290941_100000754260 [1,0,0,0,0,0|2,0,1]=4 148 B10R1.3 C=Cc1ccc(nc1)CC 271570a_100011290941_100009820025 [1,0,0,0,0,0|3,0,0]=4 149 B10R1.3 C=Cc1ccc(nc1)CN 271570a_100011290941_100015188789 [1,0,0,0,0,0|2,0,0]=3 150 B10R1.3 C=Cc1ccc(nc1)CO 271570a_100011290941_100000754261 [1,0,0,0,0,0|3,0,0]=4 151 B10R1.3 C=Cc1ccc(nc1)NN 271570a_100011290941_100000750576 [1,0,0,0,0,0|3,0,0]=4 152 B10R1.3 C=Cc1cnc(nc1)CN 271570a_100011290941_200016993442 [1,0,0,0,0,0|3,0,0]=4 153 B10R1.3 CCc1ccc(cc1)NC 2230a_100000211069_200000210301 [1,0,0,0,0,0|3,0,0]=4 154 B10R1.3 CCc1ccc(cc1)NC 34a_100000211069_200000210301 [1,0,0,0,0,0|3,0,0]=4 155 B10R1.3 CCc1ccc(cc1)N[13CH3] 2230a_100000211069_200025704644 [1,0,0,0,0,0|3,0,0]=4 156 B10R1.3 CCc1ccc(cc1)N[13CH3] 34a_100000211069_200025704644 [1,0,0,0,0,0|3,0,0]=4 157 B10R1.3 CCc1ccc(cc1)OC 34a_100000211359_200000210301 [1,0,0,0,0,0|3,0,0]=4 158 B10R1.3 CCc1ccc(cc1)OC 7a_100000211359_200000210301 [1,0,0,0,0,0|3,0,0]=4 159 B10R1.3 CCc1ccc(cc1)O[13CH3] 34a_100000211359_200025704644 [1,0,0,0,0,0|3,0,0]=4 160 B10R1.3 CCc1ccc(cc1)O[13CH3] 7a_100000211359_200025704644 [1,0,0,0,0,0|3,0,0]=4 161 B10R1.3 CCc1ccc(cc1)SC 62a_100011215824_200000210301 [1,0,0,0,0,0|3,0,0]=4 162 B10R1.3 CCc1ccc(cc1)SC 62a_200000210301_100011215824 [1,0,0,0,0,0|3,0,0]=4 163 B10R1.3 CCc1ccc(cc1)S[13CH3] 62a_100011215824_200025704644 [1,0,0,0,0,0|3,0,0]=4 164 B10R1.3 CCc1ccc(cc1)S[13CH3] 62a_200025704644_100011215824 [1,0,0,0,0,0|3,0,0]=4 165 B10R1.3 CNc1ccc(cc1)CO 2230a_100011215238_200000210301 [1,0,0,0,0,0|2,0,1]=4 166 B10R1.3 CNc1ccc(cc1)CO 34a_100011215238_200000210301 [1,0,0,0,0,0|2,0,1]=4 167 B10R1.3 COc1ccc(cc1)CN 34a_100000185549_200000210301 [1,0,0,0,0,0|2,0,0]=3 168 B10R1.3 COc1ccc(cc1)CO 34a_100000211755_200000210301 [1,0,0,0,0,0|2,0,1]=4 169 B10R1.3 COc1ccc(cn1)CN 34a_100000757128_200000210301 [1,0,0,0,0,0|3,0,0]=4 170 B10R1.3 COc1ccc(nc1)CN 34a_100020605196_200000210301 [1,0,0,0,0,0|3,0,0]=4 171 B10R1.3 CSc1ccc(cc1)C=O 62a_100000188517_200000210301 [1,0,0,0,0,0|2,0,0]=3 172 B10R1.3 CSc1ccc(cc1)C=O 62a_200000210301_100000188517 [1,0,0,0,0,0|2,0,0]=3 173 B10R1.3 CSc1ccc(cc1)CF 62a_100010268989_200000210301 [1,0,0,0,0,0|3,0,0]=4 174 B10R1.3 CSc1ccc(cc1)CF 62a_200000210301_100010268989 [1,0,0,0,0,0|3,0,0]=4 175 B10R1.3 CSc1ccc(cc1)CN 62a_100016989417_200000210301 [1,0,0,0,0,0|2,0,0]=3 176 B10R1.3 CSc1ccc(cc1)CN 62a_200000210301_100016989417 [1,0,0,0,0,0|2,0,0]=3 177 B10R1.3 CSc1ccc(cc1)CO 62a_100000690907_200000210301 [1,0,0,0,0,0|2,0,1]=4 178 B10R1.3 CSc1ccc(cc1)CO 62a_200000210301_100000690907 [1,0,0,0,0,0|2,0,1]=4 179 B10R1.3 CSc1ccc(cc1)NN 62a_100016988836_200000210301 [1,0,0,0,0,0|3,0,0]=4 180 B10R1.3 CSc1ccc(cc1)NN 62a_200000210301_100016988836 [1,0,0,0,0,0|3,0,0]=4 181 B10R1.3 CSc1ccc(cn1)C=O 62a_100000766901_200000210301 [1,0,0,0,0,0|3,0,0]=4 182 B10R1.3 CSc1ccc(cn1)C=O 62a_200000210301_100000766901 [1,0,0,0,0,0|3,0,0]=4 183 B10R1.3 CSc1ccc(cn1)CN 62a_100000735879_200000210301 [1,0,0,0,0,0|3,0,0]=4 184 B10R1.3 CSc1ccc(cn1)CN 62a_200000210301_100000735879 [1,0,0,0,0,0|3,0,0]=4 185 B10R1.3 CSc1ccc(nc1)C=O 62a_100000754260_200000210301 [1,0,0,0,0,0|3,0,0]=4 186 B10R1.3 CSc1ccc(nc1)C=O 62a_200000210301_100000754260 [1,0,0,0,0,0|3,0,0]=4 187 B10R1.3 CSc1ccc(nc1)CN 62a_100015188789_200000210301 [1,0,0,0,0,0|3,0,0]=4 188 B10R1.3 CSc1ccc(nc1)CN 62a_200000210301_100015188789 [1,0,0,0,0,0|3,0,0]=4 189 B10R1.3 [13CH3]Nc1ccc(cc1)CO 2230a_100011215238_200025704644 [1,0,0,0,0,0|2,0,1]=4 190 B10R1.3 [13CH3]Nc1ccc(cc1)CO 34a_100011215238_200025704644 [1,0,0,0,0,0|2,0,1]=4 191 B10R1.3 [13CH3]Oc1ccc(cc1)CN 34a_100000185549_200025704644 [1,0,0,0,0,0|2,0,0]=3 192 B10R1.3 [13CH3]Oc1ccc(cc1)CO 34a_100000211755_200025704644 [1,0,0,0,0,0|2,0,1]=4 193 B10R1.3 [13CH3]Oc1ccc(cn1)CN 34a_100000757128_200025704644 [1,0,0,0,0,0|3,0,0]=4 194 B10R1.3 [13CH3]Oc1ccc(nc1)CN 34a_100020605196_200025704644 [1,0,0,0,0,0|3,0,0]=4 195 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_100000188517_200025704644 [1,0,0,0,0,0|2,0,0]=3 196 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_200025704644_100000188517 [1,0,0,0,0,0|2,0,0]=3 197 B10R1.3 [13CH3]Sc1ccc(cc1)CF 62a_100010268989_200025704644 [1,0,0,0,0,0|3,0,0]=4 198 B10R1.3 [13CH3]Sc1ccc(cc1)CF 62a_200025704644_100010268989 [1,0,0,0,0,0|3,0,0]=4 199 B10R1.3 [13CH3]Sc1ccc(cc1)CN 62a_100016989417_200025704644 [1,0,0,0,0,0|2,0,0]=3 200 B10R1.3 [13CH3]Sc1ccc(cc1)CN 62a_200025704644_100016989417 [1,0,0,0,0,0|2,0,0]=3 201 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_100000690907_200025704644 [1,0,0,0,0,0|2,0,1]=4 202 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_200025704644_100000690907 [1,0,0,0,0,0|2,0,1]=4 203 B10R1.3 [13CH3]Sc1ccc(cc1)NN 62a_100016988836_200025704644 [1,0,0,0,0,0|3,0,0]=4 204 B10R1.3 [13CH3]Sc1ccc(cc1)NN 62a_200025704644_100016988836 [1,0,0,0,0,0|3,0,0]=4 205 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_100000766901_200025704644 [1,0,0,0,0,0|3,0,0]=4 206 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_200025704644_100000766901 [1,0,0,0,0,0|3,0,0]=4 207 B10R1.3 [13CH3]Sc1ccc(cn1)CN 62a_100000735879_200025704644 [1,0,0,0,0,0|3,0,0]=4 208 B10R1.3 [13CH3]Sc1ccc(cn1)CN 62a_200025704644_100000735879 [1,0,0,0,0,0|3,0,0]=4 209 B10R1.3 [13CH3]Sc1ccc(nc1)C=O 62a_100000754260_200025704644 [1,0,0,0,0,0|3,0,0]=4 210 B10R1.3 [13CH3]Sc1ccc(nc1)C=O 62a_200025704644_100000754260 [1,0,0,0,0,0|3,0,0]=4 211 B10R1.3 [13CH3]Sc1ccc(nc1)CN 62a_100015188789_200025704644 [1,0,0,0,0,0|3,0,0]=4 212 B10R1.3 [13CH3]Sc1ccc(nc1)CN 62a_200025704644_100015188789 [1,0,0,0,0,0|3,0,0]=4 213 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [1,0,0,0,0,0|3,0,0]=4 214 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [1,0,0,0,0,0|2,0,0]=3 215 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [1,0,0,0,0,0|3,0,0]=4 216 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [1,0,0,0,0,0|3,0,0]=4 217 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [1,0,0,0,0,0|2,0,0]=3 218 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [1,0,0,0,0,0|3,0,0]=4 219 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [1,0,0,0,0,0|3,0,0]=4 220 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [1,0,0,0,0,0|3,0,0]=4 221 B10R1.13 C=C(C)c1ccc(cn1)N 271570a_100000694244_100000744251 [1,0,0,0,0,0|3,0,0]=4 222 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [1,0,0,0,0,0|3,0,0]=4 223 B10R1.13 C=C(C)c1ccc(nc1)N 271570a_100000694244_100000187370 [1,0,0,0,0,0|3,0,0]=4 224 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [1,0,0,0,0,0|2,0,0]=3 225 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [1,0,0,0,0,0|1,0,0]=2 226 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [1,0,0,0,0,0|2,0,0]=3 227 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [1,0,0,0,0,0|2,0,0]=3 228 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [1,0,0,0,0,0|2,0,0]=3 229 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [1,0,0,0,0,0|2,0,0]=3 230 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [1,0,0,0,0,0|2,0,0]=3 231 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [1,0,0,0,0,0|3,0,0]=4 232 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [1,0,0,0,0,0|3,0,0]=4 233 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [1,0,0,0,0,0|2,0,1]=4 234 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [1,0,0,0,0,0|3,0,0]=4 235 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [1,0,0,0,0,0|1,0,0]=2 236 B10R1.13 Cc1ccc(cc1)N(C)C 2230a_100000219977_200000210301 [1,0,0,0,0,0|3,0,0]=4 237 B10R1.13 Cc1ccc(cc1)N(C)C 269982a_100000219977_200000210301 [1,0,0,0,0,0|3,0,0]=4 238 B10R1.13 Cc1ccc(cc1)N(C)C 34a_100000219977_200000210301 [1,0,0,0,0,0|3,0,0]=4 239 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 2230a_100000219977_200025704644 [1,0,0,0,0,0|3,0,0]=4 240 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 269982a_100000219977_200025704644 [1,0,0,0,0,0|3,0,0]=4 241 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 34a_100000219977_200025704644 [1,0,0,0,0,0|3,0,0]=4 242 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [1,0,0,0,0,0|2,0,0]=3 243 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [1,0,0,0,0,0|3,0,0]=4 244 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [1,0,0,0,0,0|3,0,0]=4 245 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [1,0,0,0,0,0|2,0,1]=4 246 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [1,0,0,0,0,0|2,0,0]=3 247 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [1,0,0,0,0,0|2,0,0]=3 248 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [1,0,0,0,0,0|2,0,0]=3 249 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [1,0,0,0,0,0|2,0,0]=3 250 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [1,0,0,0,0,0|2,0,0]=3 251 B12R1.5 C#Cc1ccc(cc1)C(=O)CC 1458a_100011217615_100000210202 [0,1,0,0,0,0|2,0,1]=4 252 B12R1.5 C#Cc1ccc(cc1)C(=O)CF 1458a_100011217615_100015361967 [0,1,0,0,0,0|2,0,1]=4 253 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 11a_106832991635_100011217615 [0,1,0,0,0,0|2,0,1]=4 254 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 1626a_100102657272_100011217615 [0,1,0,0,0,0|2,0,1]=4 255 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 240690a_100102657272_100011217615 [0,1,0,0,0,0|2,0,1]=4 256 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 527a_100102657272_100011217615 [0,1,0,0,0,0|2,0,1]=4 257 B12R1.5 C=Cc1ccc(cc1)C(=O)C#N 271570a_100011290941_100009994572 [0,1,0,0,0,0|2,0,1]=4 258 B12R1.5 C=Cc1ccc(cc1)C(=O)C=O 271570a_100011290941_100000725942 [0,1,0,0,0,0|1,0,2]=4 259 B12R1.5 C=Cc1ccc(cc1)C(=O)CC 1458a_100000687532_100000210202 [0,1,0,0,0,0|2,0,1]=4 260 B12R1.5 C=Cc1ccc(cc1)C(=O)CC 271570a_100011290941_100000211647 [0,1,0,0,0,0|2,0,1]=4 261 B12R1.5 C=Cc1ccc(cc1)C(=O)CF 1458a_100000687532_100015361967 [0,1,0,0,0,0|2,0,1]=4 262 B12R1.5 C=Cc1ccc(cc1)C(=O)CN 271570a_100011290941_100000017248 [0,1,0,0,0,0|2,0,1]=4 263 B12R1.5 C=Cc1ccc(cc1)C(=O)CO 271570a_100011290941_100011219529 [0,1,0,0,0,0|1,0,1]=3 264 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 11a_106832991635_100000687532 [0,1,0,0,0,0|2,0,1]=4 265 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 1626a_100102657272_100000687532 [0,1,0,0,0,0|2,0,1]=4 266 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 240690a_100102657272_100000687532 [0,1,0,0,0,0|2,0,1]=4 267 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 271570a_100011290941_100000155074 [0,1,0,0,0,0|2,0,1]=4 268 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 527a_100102657272_100000687532 [0,1,0,0,0,0|2,0,1]=4 269 B12R1.5 C=Cc1ccc(cc1)C(=O)NN 271570a_100011290941_100000183614 [0,1,0,0,0,0|2,0,1]=4 270 B12R1.5 C=Cc1ccc(cc1)C(=O)OC 271570a_100011290941_100000150774 [0,1,0,0,0,0|1,0,1]=3 271 B12R1.5 C=Cc1ccc(cn1)C(=O)OC 271570a_100011290941_100000733799 [0,1,0,0,0,0|2,0,1]=4 272 B12R1.5 C=Cc1ccc(nc1)C(=O)OC 271570a_100011290941_100000690920 [0,1,0,0,0,0|2,0,1]=4 273 B12R1.5 CC(=NO)c1ccc(cc1)O[13CH3] 34a_100000164205_200025704644 [0,1,0,0,0,0|3,0,0]=4 274 B12R1.5 CC(O[13CH3])c1ccc(cc1)CN 34a_200000048501_200025704644 [0,1,0,0,0,0|1,0,1]=3 275 B12R1.5 CCC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000210202 [0,1,0,0,0,0|1,0,2]=4 276 B12R1.5 CCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000210202 [0,1,0,0,0,0|2,0,0]=3 277 B12R1.5 CCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210202 [0,1,0,0,0,0|2,0,0]=3 278 B12R1.5 CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210202 [0,1,0,0,0,0|3,0,0]=4 279 B12R1.5 CCC(=O)c1ccc(cc1)OC 34a_100000212119_200000210301 [0,1,0,0,0,0|3,0,0]=4 280 B12R1.5 CCC(=O)c1ccc(cc1)OC 7a_100000212119_200000210301 [0,1,0,0,0,0|3,0,0]=4 281 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 34a_100000212119_200025704644 [0,1,0,0,0,0|3,0,0]=4 282 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 7a_100000212119_200025704644 [0,1,0,0,0,0|3,0,0]=4 283 B12R1.5 CCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000210202 [0,1,0,0,0,0|3,0,0]=4 284 B12R1.5 CCC(=O)c1ccc(cc1)SC 62a_100000211647_200000210301 [0,1,0,0,0,0|3,0,0]=4 285 B12R1.5 CCC(=O)c1ccc(cc1)SC 62a_200000210301_100000211647 [0,1,0,0,0,0|3,0,0]=4 286 B12R1.5 CCC(=O)c1ccc(cc1)S[13CH3] 62a_100000211647_200025704644 [0,1,0,0,0,0|3,0,0]=4 287 B12R1.5 CCC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000211647 [0,1,0,0,0,0|3,0,0]=4 288 B12R1.5 CCc1ccc(cc1)C(=O)CF 1458a_100000211226_100015361967 [0,1,0,0,0,0|2,0,0]=3 289 B12R1.5 CCc1ccc(cc1)C(=O)NC 11a_106832991635_100000211226 [0,1,0,0,0,0|2,0,0]=3 290 B12R1.5 CCc1ccc(cc1)C(=O)NC 1626a_100102657272_100000211226 [0,1,0,0,0,0|2,0,0]=3 291 B12R1.5 CCc1ccc(cc1)C(=O)NC 240690a_100102657272_100000211226 [0,1,0,0,0,0|2,0,0]=3 292 B12R1.5 CCc1ccc(cc1)C(=O)NC 527a_100102657272_100000211226 [0,1,0,0,0,0|2,0,0]=3 293 B12R1.5 CCc1ccc(cc1)C(C)OC 34a_100011232672_200000210301 [0,1,0,0,0,0|2,0,1]=4 294 B12R1.5 CCc1ccc(cc1)C(C)OC 7a_100011232672_200000210301 [0,1,0,0,0,0|2,0,1]=4 295 B12R1.5 CCc1ccc(cc1)C(C)O[13CH3] 34a_100011232672_200025704644 [0,1,0,0,0,0|2,0,1]=4 296 B12R1.5 CCc1ccc(cc1)C(C)O[13CH3] 7a_100011232672_200025704644 [0,1,0,0,0,0|2,0,1]=4 297 B12R1.5 CNC(=O)c1ccc(cc1)C#N 11a_106832991635_100000210717 [0,1,0,0,0,0|1,0,2]=4 298 B12R1.5 CNC(=O)c1ccc(cc1)C#N 1626a_100102657272_100000210717 [0,1,0,0,0,0|1,0,2]=4 299 B12R1.5 CNC(=O)c1ccc(cc1)C#N 240690a_100102657272_100000210717 [0,1,0,0,0,0|1,0,2]=4 300 B12R1.5 CNC(=O)c1ccc(cc1)C#N 527a_100102657272_100000210717 [0,1,0,0,0,0|1,0,2]=4 301 B12R1.5 CNC(=O)c1ccc(cc1)CO 1626a_100102657272_100000183892 [0,1,0,0,0,0|2,0,0]=3 302 B12R1.5 CNC(=O)c1ccc(cc1)CO 240690a_100102657272_100000183892 [0,1,0,0,0,0|2,0,0]=3 303 B12R1.5 CNC(=O)c1ccc(cc1)NC 2230a_100000184841_200000210301 [0,1,0,0,0,0|3,0,0]=4 304 B12R1.5 CNC(=O)c1ccc(cc1)NC 27a_100102657272_100000155074 [0,1,0,0,0,0|3,0,0]=4 305 B12R1.5 CNC(=O)c1ccc(cc1)NC 34a_100000184841_200000210301 [0,1,0,0,0,0|3,0,0]=4 306 B12R1.5 CNC(=O)c1ccc(cc1)N[13CH3] 2230a_100000184841_200025704644 [0,1,0,0,0,0|3,0,0]=4 307 B12R1.5 CNC(=O)c1ccc(cc1)N[13CH3] 34a_100000184841_200025704644 [0,1,0,0,0,0|3,0,0]=4 308 B12R1.5 CNC(=O)c1ccc(cc1)OC 11a_106832991635_100000184203 [0,1,0,0,0,0|3,0,0]=4 309 B12R1.5 CNC(=O)c1ccc(cc1)OC 1626a_100102657272_100000184203 [0,1,0,0,0,0|3,0,0]=4 310 B12R1.5 CNC(=O)c1ccc(cc1)OC 240690a_100102657272_100000184203 [0,1,0,0,0,0|3,0,0]=4 311 B12R1.5 CNC(=O)c1ccc(cc1)OC 34a_100000192141_200000210301 [0,1,0,0,0,0|3,0,0]=4 312 B12R1.5 CNC(=O)c1ccc(cc1)OC 527a_100102657272_100000184203 [0,1,0,0,0,0|3,0,0]=4 313 B12R1.5 CNC(=O)c1ccc(cc1)OC 7a_100000192141_200000210301 [0,1,0,0,0,0|3,0,0]=4 314 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 34a_100000192141_200025704644 [0,1,0,0,0,0|3,0,0]=4 315 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 7a_100000192141_200025704644 [0,1,0,0,0,0|3,0,0]=4 316 B12R1.5 CNC(=O)c1ccc(cc1)SC 11a_106832991635_100000189692 [0,1,0,0,0,0|3,0,0]=4 317 B12R1.5 CNC(=O)c1ccc(cc1)SC 1626a_100102657272_100000189692 [0,1,0,0,0,0|3,0,0]=4 318 B12R1.5 CNC(=O)c1ccc(cc1)SC 240690a_100102657272_100000189692 [0,1,0,0,0,0|3,0,0]=4 319 B12R1.5 CNC(=O)c1ccc(cc1)SC 527a_100102657272_100000189692 [0,1,0,0,0,0|3,0,0]=4 320 B12R1.5 CNC(=O)c1ccc(cc1)SC 62a_100000155074_200000210301 [0,1,0,0,0,0|3,0,0]=4 321 B12R1.5 CNC(=O)c1ccc(cc1)SC 62a_200000210301_100000155074 [0,1,0,0,0,0|3,0,0]=4 322 B12R1.5 CNC(=O)c1ccc(cc1)S[13CH3] 62a_100000155074_200025704644 [0,1,0,0,0,0|3,0,0]=4 323 B12R1.5 CNC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000155074 [0,1,0,0,0,0|3,0,0]=4 324 B12R1.5 CNc1ccc(cc1)C(=O)NN 27a_100102657272_100000183614 [0,1,0,0,0,0|3,0,0]=4 325 B12R1.5 CNc1ccc(cn1)C(=O)OC 27a_100102657272_100000733799 [0,1,0,0,0,0|3,0,0]=4 326 B12R1.5 COC(=O)c1ccc(cc1)OC 34a_100000150123_200000210301 [0,1,0,0,0,0|2,0,0]=3 327 B12R1.5 COC(=O)c1ccc(cc1)OC 7a_100000150123_200000210301 [0,1,0,0,0,0|2,0,0]=3 328 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 34a_100000150123_200025704644 [0,1,0,0,0,0|2,0,0]=3 329 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 7a_100000150123_200025704644 [0,1,0,0,0,0|2,0,0]=3 330 B12R1.5 COC(=O)c1ccc(cc1)SC 62a_100000150774_200000210301 [0,1,0,0,0,0|2,0,0]=3 331 B12R1.5 COC(=O)c1ccc(cc1)SC 62a_200000210301_100000150774 [0,1,0,0,0,0|2,0,0]=3 332 B12R1.5 COC(=O)c1ccc(cc1)S[13CH3] 62a_100000150774_200025704644 [0,1,0,0,0,0|2,0,0]=3 333 B12R1.5 COC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000150774 [0,1,0,0,0,0|2,0,0]=3 334 B12R1.5 COC(=O)c1ccc(cn1)OC 34a_100011997255_200000210301 [0,1,0,0,0,0|3,0,0]=4 335 B12R1.5 COC(=O)c1ccc(cn1)OC 7a_100011997255_200000210301 [0,1,0,0,0,0|3,0,0]=4 336 B12R1.5 COC(=O)c1ccc(cn1)O[13CH3] 34a_100011997255_200025704644 [0,1,0,0,0,0|3,0,0]=4 337 B12R1.5 COC(=O)c1ccc(cn1)O[13CH3] 7a_100011997255_200025704644 [0,1,0,0,0,0|3,0,0]=4 338 B12R1.5 COC(=O)c1ccc(cn1)SC 62a_100102712061_200000210301 [0,1,0,0,0,0|3,0,0]=4 339 B12R1.5 COC(=O)c1ccc(cn1)SC 62a_200000210301_100102712061 [0,1,0,0,0,0|3,0,0]=4 340 B12R1.5 COC(=O)c1ccc(cn1)S[13CH3] 62a_100102712061_200025704644 [0,1,0,0,0,0|3,0,0]=4 341 B12R1.5 COC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100102712061 [0,1,0,0,0,0|3,0,0]=4 342 B12R1.5 COC(=O)c1ccc(nc1)SC 62a_100000733799_200000210301 [0,1,0,0,0,0|3,0,0]=4 343 B12R1.5 COC(=O)c1ccc(nc1)SC 62a_200000210301_100000733799 [0,1,0,0,0,0|3,0,0]=4 344 B12R1.5 COC(=O)c1ccc(nc1)S[13CH3] 62a_100000733799_200025704644 [0,1,0,0,0,0|3,0,0]=4 345 B12R1.5 COC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000733799 [0,1,0,0,0,0|3,0,0]=4 346 B12R1.5 COC(C)c1ccc(cc1)CN 34a_200000048501_200000210301 [0,1,0,0,0,0|1,0,1]=3 347 B12R1.5 COc1ccc(cc1)C(=NO)C 34a_100000164205_200000210301 [0,1,0,0,0,0|3,0,0]=4 348 B12R1.5 COc1ccc(cc1)C(=NO)N 34a_100000231063_200000210301 [0,1,0,0,0,0|3,0,0]=4 349 B12R1.5 COc1ccc(cc1)C(=O)CBr 7a_100009814261_200000210301 [0,1,0,0,0,0|3,0,0]=4 350 B12R1.5 COc1ccc(cc1)C(=O)CCl 7a_100000018856_200000210301 [0,1,0,0,0,0|3,0,0]=4 351 B12R1.5 COc1ccc(cc1)C(=O)CF 1458a_100000184203_100015361967 [0,1,0,0,0,0|3,0,0]=4 352 B12R1.5 COc1ccc(cc1)C(=O)CF 34a_200010654591_200000210301 [0,1,0,0,0,0|3,0,0]=4 353 B12R1.5 COc1ccc(cc1)C(=O)CF 7a_200010654591_200000210301 [0,1,0,0,0,0|3,0,0]=4 354 B12R1.5 COc1ccc(cc1)C(=O)NN 34a_100000185078_200000210301 [0,1,0,0,0,0|3,0,0]=4 355 B12R1.5 CSc1ccc(cc1)C(=O)C#N 62a_200000210301_100009994572 [0,1,0,0,0,0|3,0,0]=4 356 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_100000725942_200000210301 [0,1,0,0,0,0|2,0,1]=4 357 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_200000210301_100000725942 [0,1,0,0,0,0|2,0,1]=4 358 B12R1.5 CSc1ccc(cc1)C(=O)CF 1458a_100000189692_100015361967 [0,1,0,0,0,0|3,0,0]=4 359 B12R1.5 CSc1ccc(cc1)C(=O)CN 62a_100000017248_200000210301 [0,1,0,0,0,0|3,0,0]=4 360 B12R1.5 CSc1ccc(cc1)C(=O)CN 62a_200000210301_100000017248 [0,1,0,0,0,0|3,0,0]=4 361 B12R1.5 CSc1ccc(cc1)C(=O)CO 62a_100011219529_200000210301 [0,1,0,0,0,0|2,0,0]=3 362 B12R1.5 CSc1ccc(cc1)C(=O)CO 62a_200000210301_100011219529 [0,1,0,0,0,0|2,0,0]=3 363 B12R1.5 CSc1ccc(cc1)C(=O)NN 62a_100000183614_200000210301 [0,1,0,0,0,0|3,0,0]=4 364 B12R1.5 CSc1ccc(cc1)C(=O)NN 62a_200000210301_100000183614 [0,1,0,0,0,0|3,0,0]=4 365 B12R1.5 N#Cc1ccc(cc1)C(=O)CF 1458a_100000210717_100015361967 [0,1,0,0,0,0|1,0,2]=4 366 B12R1.5 O=C(CF)c1ccc(cc1)CO 1458a_100000183892_100015361967 [0,1,0,0,0,0|2,0,0]=3 367 B12R1.5 [13CH3]Oc1ccc(cc1)C(=NO)N 34a_100000231063_200025704644 [0,1,0,0,0,0|3,0,0]=4 368 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CBr 7a_100009814261_200025704644 [0,1,0,0,0,0|3,0,0]=4 369 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CCl 7a_100000018856_200025704644 [0,1,0,0,0,0|3,0,0]=4 370 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CF 34a_200010654591_200025704644 [0,1,0,0,0,0|3,0,0]=4 371 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CF 7a_200010654591_200025704644 [0,1,0,0,0,0|3,0,0]=4 372 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)NN 34a_100000185078_200025704644 [0,1,0,0,0,0|3,0,0]=4 373 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C#N 62a_200025704644_100009994572 [0,1,0,0,0,0|3,0,0]=4 374 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_100000725942_200025704644 [0,1,0,0,0,0|2,0,1]=4 375 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_200025704644_100000725942 [0,1,0,0,0,0|2,0,1]=4 376 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CN 62a_100000017248_200025704644 [0,1,0,0,0,0|3,0,0]=4 377 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CN 62a_200025704644_100000017248 [0,1,0,0,0,0|3,0,0]=4 378 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CO 62a_100011219529_200025704644 [0,1,0,0,0,0|2,0,0]=3 379 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CO 62a_200025704644_100011219529 [0,1,0,0,0,0|2,0,0]=3 380 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)NN 62a_100000183614_200025704644 [0,1,0,0,0,0|3,0,0]=4 381 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)NN 62a_200025704644_100000183614 [0,1,0,0,0,0|3,0,0]=4 382 B12R1.48 C#Cc1ccc(cc1C)C(=O)C 1458a_100013243528_200000210301 [0,1,0,0,0,0|2,0,1]=4 383 B12R1.48 C#Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100013243528_200025704644 [0,1,0,0,0,0|2,0,1]=4 384 B12R1.48 C#Cc1ccc(cc1Cl)C(=O)C 1458a_100014797261_200000210301 [0,1,0,0,0,0|2,0,1]=4 385 B12R1.48 C#Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100014797261_200025704644 [0,1,0,0,0,0|2,0,1]=4 386 B12R1.48 C=C(C)c1ccc(c(c1)Br)CO 271570a_100000694244_100010240206 [0,1,0,0,0,0|3,0,0]=4 387 B12R1.48 C=C(C)c1ccc(c(c1)C)CF 271570a_100000694244_200010711859 [0,1,0,0,0,0|3,0,0]=4 388 B12R1.48 C=C(C)c1ccc(c(c1)C)CN 271570a_100000694244_100000753881 [0,1,0,0,0,0|2,0,0]=3 389 B12R1.48 C=C(C)c1ccc(c(c1)C)CO 271570a_100000694244_100000748258 [0,1,0,0,0,0|3,0,0]=4 390 B12R1.48 C=C(C)c1ccc(c(c1)C)NN 271570a_100000694244_100000751375 [0,1,0,0,0,0|3,0,0]=4 391 B12R1.48 C=C(C)c1ccc(c(c1)F)CC 271570a_100000694244_200010071577 [0,1,0,0,0,0|3,0,0]=4 392 B12R1.48 C=C(C)c1ccc(c(c1)F)CN 271570a_100000694244_100000754580 [0,1,0,0,0,0|2,0,0]=3 393 B12R1.48 C=C(C)c1ccc(c(c1)F)CO 271570a_100000694244_100011191541 [0,1,0,0,0,0|3,0,0]=4 394 B12R1.48 C=C(C)c1ccc(c(c1)F)NN 271570a_100000694244_100000751572 [0,1,0,0,0,0|3,0,0]=4 395 B12R1.48 C=C(C)c1ccc(c(c1)N)CC 271570a_100000694244_100012354963 [0,1,0,0,0,0|3,0,0]=4 396 B12R1.48 C=C(C)c1ccc(c(c1)N)CO 271570a_100000694244_100000718831 [0,1,0,0,0,0|3,0,0]=4 397 B12R1.48 C=C(C)c1ccc(c(c1)O)CO 271570a_100000694244_100000071718 [0,1,0,0,0,0|3,0,0]=4 398 B12R1.48 C=C(C)c1cnc(c(c1)F)CN 271570a_100000694244_100015188786 [0,1,0,0,0,0|3,0,0]=4 399 B12R1.48 C=Cc1ccc(cc1Br)C(=O)C 271570a_100011290941_100010146554 [0,1,0,0,0,0|2,0,1]=4 400 B12R1.48 C=Cc1ccc(cc1Br)C(=O)N 271570a_100011290941_100009814583 [0,1,0,0,0,0|2,0,1]=4 401 B12R1.48 C=Cc1ccc(cc1C)C(=O)C 271570a_100011290941_100000697869 [0,1,0,0,0,0|2,0,1]=4 402 B12R1.48 C=Cc1ccc(cc1C)C(=O)N 271570a_100011290941_100011218126 [0,1,0,0,0,0|2,0,1]=4 403 B12R1.48 C=Cc1ccc(cc1F)C(=O)C 271570a_100011290941_100000690002 [0,1,0,0,0,0|2,0,1]=4 404 B12R1.48 C=Cc1ccc(cc1F)C(=O)N 271570a_100011290941_100000686215 [0,1,0,0,0,0|2,0,1]=4 405 B12R1.48 C=Cc1ccc(cc1N)C(=O)C 271570a_100011290941_100009816534 [0,1,0,0,0,0|2,0,1]=4 406 B12R1.48 C=Cc1ccc(cc1O)C(=O)N 271570a_100011290941_100012344895 [0,1,0,0,0,0|2,0,1]=4 407 B12R1.48 CC(=O)c1ccc(c(c1)Br)C#N 1458a_100012355661_200000210301 [0,1,0,0,0,0|1,0,2]=4 408 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 34a_100011772453_200025704644 [0,1,0,0,0,0|3,0,0]=4 409 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100011772453_200025704644 [0,1,0,0,0,0|3,0,0]=4 410 B12R1.48 CC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_100010146554_200025704644 [0,1,0,0,0,0|3,0,0]=4 411 B12R1.48 CC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100010146554 [0,1,0,0,0,0|3,0,0]=4 412 B12R1.48 CC(=O)c1ccc(c(c1)C)C#N 1458a_100012180287_200000210301 [0,1,0,0,0,0|1,0,2]=4 413 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 34a_100000188726_200025704644 [0,1,0,0,0,0|3,0,0]=4 414 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 7a_100000188726_200025704644 [0,1,0,0,0,0|3,0,0]=4 415 B12R1.48 CC(=O)c1ccc(c(c1)C)S[13CH3] 62a_100000697869_200025704644 [0,1,0,0,0,0|3,0,0]=4 416 B12R1.48 CC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_100000697869 [0,1,0,0,0,0|3,0,0]=4 417 B12R1.48 CC(=O)c1ccc(c(c1)Cl)C#N 1458a_100000694585_200000210301 [0,1,0,0,0,0|1,0,2]=4 418 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100000188625_200025704644 [0,1,0,0,0,0|3,0,0]=4 419 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100000188625_200025704644 [0,1,0,0,0,0|3,0,0]=4 420 B12R1.48 CC(=O)c1ccc(c(c1)F)C#N 1458a_100011217213_200000210301 [0,1,0,0,0,0|1,0,2]=4 421 B12R1.48 CC(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200000210301 [0,1,0,0,0,0|2,0,0]=3 422 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000751691_200025704644 [0,1,0,0,0,0|3,0,0]=4 423 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000751691_200025704644 [0,1,0,0,0,0|3,0,0]=4 424 B12R1.48 CC(=O)c1ccc(c(c1)F)S[13CH3] 62a_100000690002_200025704644 [0,1,0,0,0,0|3,0,0]=4 425 B12R1.48 CC(=O)c1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000690002 [0,1,0,0,0,0|3,0,0]=4 426 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000117292_200025704644 [0,1,0,0,0,0|3,0,0]=4 427 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000117292_200025704644 [0,1,0,0,0,0|3,0,0]=4 428 B12R1.48 CC(=O)c1ccc(c(c1)N)S[13CH3] 62a_100009816534_200025704644 [0,1,0,0,0,0|3,0,0]=4 429 B12R1.48 CCc1ccc(cc1Br)C(=O)C 1458a_100012340589_200000210301 [0,1,0,0,0,0|2,0,0]=3 430 B12R1.48 CCc1ccc(cc1Br)C(=O)[13CH3] 1458a_100012340589_200025704644 [0,1,0,0,0,0|2,0,0]=3 431 B12R1.48 CCc1ccc(cc1O)C(=O)C 1458a_100000089006_200000210301 [0,1,0,0,0,0|2,0,0]=3 432 B12R1.48 CCc1ccc(cc1O)C(=O)[13CH3] 1458a_100000089006_200025704644 [0,1,0,0,0,0|2,0,0]=3 433 B12R1.48 CNc1ccc(cc1Br)C(=O)N 27a_100102657272_100009814583 [0,1,0,0,0,0|3,0,0]=4 434 B12R1.48 CNc1ccc(cc1C)C(=O)N 27a_100102657272_100011218126 [0,1,0,0,0,0|3,0,0]=4 435 B12R1.48 CNc1ccc(cc1C)C(=O)N 34a_100000746439_200000210301 [0,1,0,0,0,0|3,0,0]=4 436 B12R1.48 CNc1ccc(cc1C)C(=O)N 7a_100000746439_200000210301 [0,1,0,0,0,0|3,0,0]=4 437 B12R1.48 CNc1ccc(cc1F)C(=O)N 27a_100102657272_100000686215 [0,1,0,0,0,0|3,0,0]=4 438 B12R1.48 COc1ccc(cc1Br)C(=O)C 1458a_100000187947_200000210301 [0,1,0,0,0,0|3,0,0]=4 439 B12R1.48 COc1ccc(cc1Br)C(=O)C 34a_100011772453_200000210301 [0,1,0,0,0,0|3,0,0]=4 440 B12R1.48 COc1ccc(cc1Br)C(=O)C 7a_100011772453_200000210301 [0,1,0,0,0,0|3,0,0]=4 441 B12R1.48 COc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000187947_200025704644 [0,1,0,0,0,0|3,0,0]=4 442 B12R1.48 COc1ccc(cc1C)C(=O)C 1458a_100011202886_200000210301 [0,1,0,0,0,0|3,0,0]=4 443 B12R1.48 COc1ccc(cc1C)C(=O)C 34a_100000188726_200000210301 [0,1,0,0,0,0|3,0,0]=4 444 B12R1.48 COc1ccc(cc1C)C(=O)C 7a_100000188726_200000210301 [0,1,0,0,0,0|3,0,0]=4 445 B12R1.48 COc1ccc(cc1C)C(=O)[13CH3] 1458a_100011202886_200025704644 [0,1,0,0,0,0|3,0,0]=4 446 B12R1.48 COc1ccc(cc1Cl)C(=O)C 1458a_100000188346_200000210301 [0,1,0,0,0,0|3,0,0]=4 447 B12R1.48 COc1ccc(cc1Cl)C(=O)C 34a_100000188625_200000210301 [0,1,0,0,0,0|3,0,0]=4 448 B12R1.48 COc1ccc(cc1Cl)C(=O)C 7a_100000188625_200000210301 [0,1,0,0,0,0|3,0,0]=4 449 B12R1.48 COc1ccc(cc1Cl)C(=O)N 34a_200000192832_200000210301 [0,1,0,0,0,0|3,0,0]=4 450 B12R1.48 COc1ccc(cc1Cl)C(=O)N 7a_200000192832_200000210301 [0,1,0,0,0,0|3,0,0]=4 451 B12R1.48 COc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000188346_200025704644 [0,1,0,0,0,0|3,0,0]=4 452 B12R1.48 COc1ccc(cc1F)C(=O)C 1458a_100000186160_200000210301 [0,1,0,0,0,0|3,0,0]=4 453 B12R1.48 COc1ccc(cc1F)C(=O)C 34a_100000751691_200000210301 [0,1,0,0,0,0|3,0,0]=4 454 B12R1.48 COc1ccc(cc1F)C(=O)C 7a_100000751691_200000210301 [0,1,0,0,0,0|3,0,0]=4 455 B12R1.48 COc1ccc(cc1F)C(=O)[13CH3] 1458a_100000186160_200025704644 [0,1,0,0,0,0|3,0,0]=4 456 B12R1.48 COc1ccc(cc1I)C(=O)C 1458a_100000188716_200000210301 [0,1,0,0,0,0|3,0,0]=4 457 B12R1.48 COc1ccc(cc1I)C(=O)[13CH3] 1458a_100000188716_200025704644 [0,1,0,0,0,0|3,0,0]=4 458 B12R1.48 COc1ccc(cc1N)C(=O)C 34a_100000117292_200000210301 [0,1,0,0,0,0|3,0,0]=4 459 B12R1.48 COc1ccc(cc1N)C(=O)C 7a_100000117292_200000210301 [0,1,0,0,0,0|3,0,0]=4 460 B12R1.48 COc1ccc(cc1O)C(=O)C 1458a_100000766810_200000210301 [0,1,0,0,0,0|3,0,0]=4 461 B12R1.48 COc1ccc(cc1O)C(=O)C 271570a_203496583355_100000185153 [0,1,0,0,0,0|3,0,0]=4 462 B12R1.48 COc1ccc(cc1O)C(=O)[13CH3] 1458a_100000766810_200025704644 [0,1,0,0,0,0|3,0,0]=4 463 B12R1.48 CSc1ccc(cc1Br)C(=O)C 62a_100010146554_200000210301 [0,1,0,0,0,0|3,0,0]=4 464 B12R1.48 CSc1ccc(cc1Br)C(=O)C 62a_200000210301_100010146554 [0,1,0,0,0,0|3,0,0]=4 465 B12R1.48 CSc1ccc(cc1Br)C(=O)N 62a_100009814583_200000210301 [0,1,0,0,0,0|3,0,0]=4 466 B12R1.48 CSc1ccc(cc1Br)C(=O)N 62a_200000210301_100009814583 [0,1,0,0,0,0|3,0,0]=4 467 B12R1.48 CSc1ccc(cc1C)C(=O)C 62a_100000697869_200000210301 [0,1,0,0,0,0|3,0,0]=4 468 B12R1.48 CSc1ccc(cc1C)C(=O)C 62a_200000210301_100000697869 [0,1,0,0,0,0|3,0,0]=4 469 B12R1.48 CSc1ccc(cc1C)C(=O)N 62a_100011218126_200000210301 [0,1,0,0,0,0|3,0,0]=4 470 B12R1.48 CSc1ccc(cc1C)C(=O)N 62a_200000210301_100011218126 [0,1,0,0,0,0|3,0,0]=4 471 B12R1.48 CSc1ccc(cc1F)C(=O)C 62a_100000690002_200000210301 [0,1,0,0,0,0|3,0,0]=4 472 B12R1.48 CSc1ccc(cc1F)C(=O)C 62a_200000210301_100000690002 [0,1,0,0,0,0|3,0,0]=4 473 B12R1.48 CSc1ccc(cc1F)C(=O)N 62a_100000686215_200000210301 [0,1,0,0,0,0|3,0,0]=4 474 B12R1.48 CSc1ccc(cc1F)C(=O)N 62a_200000210301_100000686215 [0,1,0,0,0,0|3,0,0]=4 475 B12R1.48 CSc1ccc(cc1N)C(=O)C 62a_100009816534_200000210301 [0,1,0,0,0,0|3,0,0]=4 476 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_100012344895_200000210301 [0,1,0,0,0,0|3,0,0]=4 477 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_200000210301_100012344895 [0,1,0,0,0,0|3,0,0]=4 478 B12R1.48 Cc1cc(ccc1C#N)C(=O)[13CH3] 1458a_100012180287_200025704644 [0,1,0,0,0,0|1,0,2]=4 479 B12R1.48 Cc1cc(ccc1N[13CH3])C(=O)N 34a_100000746439_200025704644 [0,1,0,0,0,0|3,0,0]=4 480 B12R1.48 Cc1cc(ccc1N[13CH3])C(=O)N 7a_100000746439_200025704644 [0,1,0,0,0,0|3,0,0]=4 481 B12R1.48 Cc1cc(ccc1S[13CH3])C(=O)N 62a_100011218126_200025704644 [0,1,0,0,0,0|3,0,0]=4 482 B12R1.48 Cc1cc(ccc1S[13CH3])C(=O)N 62a_200025704644_100011218126 [0,1,0,0,0,0|3,0,0]=4 483 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)Br)C#N 1458a_100012355661_200025704644 [0,1,0,0,0,0|1,0,2]=4 484 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)Cl)C#N 1458a_100000694585_200025704644 [0,1,0,0,0,0|1,0,2]=4 485 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)F)C#N 1458a_100011217213_200025704644 [0,1,0,0,0,0|1,0,2]=4 486 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200025704644 [0,1,0,0,0,0|2,0,0]=3 487 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 34a_200000192832_200025704644 [0,1,0,0,0,0|3,0,0]=4 488 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 7a_200000192832_200025704644 [0,1,0,0,0,0|3,0,0]=4 489 B12R1.48 [13CH3]Sc1ccc(cc1Br)C(=O)N 62a_100009814583_200025704644 [0,1,0,0,0,0|3,0,0]=4 490 B12R1.48 [13CH3]Sc1ccc(cc1Br)C(=O)N 62a_200025704644_100009814583 [0,1,0,0,0,0|3,0,0]=4 491 B12R1.48 [13CH3]Sc1ccc(cc1F)C(=O)N 62a_100000686215_200025704644 [0,1,0,0,0,0|3,0,0]=4 492 B12R1.48 [13CH3]Sc1ccc(cc1F)C(=O)N 62a_200025704644_100000686215 [0,1,0,0,0,0|3,0,0]=4 493 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_100012344895_200025704644 [0,1,0,0,0,0|3,0,0]=4 494 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_200025704644_100012344895 [0,1,0,0,0,0|3,0,0]=4 495 B12R1.113 C=C(C)c1ccc(cc1)CC#N 271570a_100000694244_100011217881 [0,1,0,0,0,0|2,0,1]=4 496 B12R1.113 C=C(C)c1ccc(cc1)CC=O 271570a_100000694244_100011361690 [0,1,0,0,0,0|3,0,0]=4 497 B12R1.113 C=C(C)c1ccc(cc1)CCC 271570a_100000694244_100000750032 [0,1,0,0,0,0|3,0,0]=4 498 B12R1.113 C=C(C)c1ccc(cc1)CCN 271570a_100000694244_100000755846 [0,1,0,0,0,0|2,0,0]=3 499 B12R1.113 C=C(C)c1ccc(cc1)CCO 271570a_100000694244_100000766406 [0,1,0,0,0,0|3,0,0]=4 500 B12R1.113 C=C(C)c1ccc(cc1)CNC 26a_100102657272_100009880102 [0,1,0,0,0,0|2,0,0]=3 501 B12R1.113 C=C(C)c1ccc(cc1)CNC 271570a_100000694244_100000180866 [0,1,0,0,0,0|2,0,0]=3 502 B12R1.113 C=C(C)c1ccc(cc1)CNN 271570a_100000694244_100016993955 [0,1,0,0,0,0|2,0,0]=3 503 B12R1.113 C=C(C)c1ccc(cc1)COC 271570a_100000694244_100011493685 [0,1,0,0,0,0|3,0,0]=4 504 B12R1.113 C=C(C)c1ccc(cc1)NCC 271570a_100000694244_100000219632 [0,1,0,0,0,0|3,0,0]=4 505 B12R1.113 C=C(C)c1ccc(cc1)OCC 271570a_100000694244_100000169946 [0,1,0,0,0,0|3,0,0]=4 506 B12R1.113 C=C(C)c1ccc(cc1)OCC 34a_100009880102_100000210202 [0,1,0,0,0,0|3,0,0]=4 507 B12R1.113 C=C(C)c1ccc(cc1)OCC 7a_100009880102_100000210202 [0,1,0,0,0,0|3,0,0]=4 508 B12R1.113 C=C(C)c1ccc(cc1)OCF 34a_100009880102_100015361967 [0,1,0,0,0,0|3,0,0]=4 509 B12R1.113 C=C(C)c1ccc(cc1)OCF 7a_100009880102_100015361967 [0,1,0,0,0,0|3,0,0]=4 510 B12R1.113 C=C(C)c1ccc(cc1)SCC 271570a_100000694244_200009811893 [0,1,0,0,0,0|3,0,0]=4 511 B12R1.113 C=C(C)c1ccc(cc1)SCC 62a_100000185454_100000210202 [0,1,0,0,0,0|3,0,0]=4 512 B12R1.113 C=C(C)c1ccc(cc1)SCC 62a_100000210202_100000185454 [0,1,0,0,0,0|3,0,0]=4 513 B12R1.113 C=C(C)c1ccc(cc1)SCF 62a_100000185454_100015361967 [0,1,0,0,0,0|3,0,0]=4 514 B12R1.113 C=C(C)c1ccc(cc1)SCF 62a_100015361967_100000185454 [0,1,0,0,0,0|3,0,0]=4 515 B12R1.113 C=C(C)c1ccc(cn1)CNC 271570a_100000694244_100000026953 [0,1,0,0,0,0|3,0,0]=4 516 B12R1.113 C=C(C)c1ccc(cn1)CNN 271570a_100000694244_106726394036 [0,1,0,0,0,0|3,0,0]=4 517 B12R1.113 C=C=Cc1ccc(cc1)C(=O)C 271570a_100015277604_100000185465 [0,1,0,0,0,0|2,0,1]=4 518 B12R1.113 C=C=Cc1ccc(cc1)C(=O)N 271570a_100015277604_100000162191 [0,1,0,0,0,0|2,0,1]=4 519 B12R1.113 CC#Cc1ccc(cc1)C(=O)C 1458a_100009923575_200000210301 [0,1,0,0,0,0|2,0,1]=4 520 B12R1.113 CC#Cc1ccc(cc1)C(=O)[13CH3] 1458a_100009923575_200025704644 [0,1,0,0,0,0|2,0,1]=4 521 B12R1.113 CC(=O)c1ccc(cc1)CC#N 1458a_100000693995_200000210301 [0,1,0,0,0,0|1,0,1]=3 522 B12R1.113 CC(=O)c1ccc(cc1)CCO 1458a_100000078963_200000210301 [0,1,0,0,0,0|2,0,0]=3 523 B12R1.113 CC(=O)c1ccc(cc1)CO[13CH3] 7a_100000082505_200025704644 [0,1,0,0,0,0|2,0,0]=3 524 B12R1.113 CC(=O)c1ccc(cc1)CS[13CH3] 62a_100000756337_200025704644 [0,1,0,0,0,0|2,0,0]=3 525 B12R1.113 CC(=O)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000756337 [0,1,0,0,0,0|2,0,0]=3 526 B12R1.113 CC(=O)c1ccc(cc1)N=[N+]=[N-] 1458a_100000039380_200000210301 [0,1,0,0,0,0|2,0,1]=4 527 B12R1.113 CC(=O)c1ccc(cc1)OCF 34a_100000185113_100015361967 [0,1,0,0,0,0|2,0,0]=3 528 B12R1.113 CC(=O)c1ccc(cc1)OCF 7a_100000185113_100015361967 [0,1,0,0,0,0|2,0,0]=3 529 B12R1.113 CC(=O)c1ccc(cc1)SCF 62a_100000185465_100015361967 [0,1,0,0,0,0|2,0,0]=3 530 B12R1.113 CC(=O)c1ccc(cc1)SCF 62a_100015361967_100000185465 [0,1,0,0,0,0|2,0,0]=3 531 B12R1.113 CC(=O)c1ccc(cn1)OCF 34a_100012001710_100015361967 [0,1,0,0,0,0|3,0,0]=4 532 B12R1.113 CC(=O)c1ccc(cn1)OCF 7a_100012001710_100015361967 [0,1,0,0,0,0|3,0,0]=4 533 B12R1.113 CC(=O)c1ccc(cn1)SCF 62a_100000686046_100015361967 [0,1,0,0,0,0|3,0,0]=4 534 B12R1.113 CC(=O)c1ccc(cn1)SCF 62a_100015361967_100000686046 [0,1,0,0,0,0|3,0,0]=4 535 B12R1.113 CC(=O)c1ccc(nc1)SCF 62a_100000684857_100015361967 [0,1,0,0,0,0|3,0,0]=4 536 B12R1.113 CC(=O)c1ccc(nc1)SCF 62a_100015361967_100000684857 [0,1,0,0,0,0|3,0,0]=4 537 B12R1.113 CC(C)c1ccc(cc1)CN[13CH3] 2230a_100000174979_200025704644 [0,1,0,0,0,0|2,0,1]=4 538 B12R1.113 CC(C)c1ccc(cc1)CN[13CH3] 34a_100000174979_200025704644 [0,1,0,0,0,0|2,0,1]=4 539 B12R1.113 CC(O)c1ccc(cc1)CN[13CH3] 2230a_200000048501_200025704644 [0,1,0,0,0,0|1,0,1]=3 540 B12R1.113 CC(O)c1ccc(cc1)CN[13CH3] 34a_200000048501_200025704644 [0,1,0,0,0,0|1,0,1]=3 541 B12R1.113 CC(O)c1ccc(cc1)NCF 34a_100011216399_100015361967 [0,1,0,0,0,0|2,0,1]=4 542 B12R1.113 CC(O)c1ccc(cc1)OCF 34a_100000754508_100015361967 [0,1,0,0,0,0|2,0,1]=4 543 B12R1.113 CC(O)c1ccc(cc1)OCF 7a_100000754508_100015361967 [0,1,0,0,0,0|2,0,1]=4 544 B12R1.113 CC(O)c1ccc(cc1)SCF 62a_100000745893_100015361967 [0,1,0,0,0,0|2,0,1]=4 545 B12R1.113 CC(O)c1ccc(cc1)SCF 62a_100015361967_100000745893 [0,1,0,0,0,0|2,0,1]=4 546 B12R1.113 CC=Cc1ccc(cc1)C(=O)C 271570a_100016259895_100000185465 [0,1,0,0,0,0|2,0,1]=4 547 B12R1.113 CC=Cc1ccc(cc1)C(=O)N 271570a_100016259895_100000162191 [0,1,0,0,0,0|2,0,1]=4 548 B12R1.113 CCCc1ccc(cc1)C(=O)C 1458a_100011207308_200000210301 [0,1,0,0,0,0|2,0,0]=3 549 B12R1.113 CCCc1ccc(cc1)C(=O)[13CH3] 1458a_100011207308_200025704644 [0,1,0,0,0,0|2,0,0]=3 550 B12R1.113 CCNc1ccc(cc1)C(=O)N 27a_100015525214_100000162191 [0,1,0,0,0,0|2,0,0]=3 551 B12R1.113 CCNc1ccc(cc1)C(=O)N 34a_100000210537_100000210202 [0,1,0,0,0,0|2,0,0]=3 552 B12R1.113 CCNc1ccc(cc1)C(C)O 2230a_100011216399_100000210202 [0,1,0,0,0,0|2,0,1]=4 553 B12R1.113 CCNc1ccc(cc1)C(C)O 34a_100011216399_100000210202 [0,1,0,0,0,0|2,0,1]=4 554 B12R1.113 CCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000210202 [0,1,0,0,0,0|2,0,1]=4 555 B12R1.113 CCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000210202 [0,1,0,0,0,0|2,0,1]=4 556 B12R1.113 CCNc1ccc(cn1)C(=O)C 27a_100015525214_100000690552 [0,1,0,0,0,0|3,0,0]=4 557 B12R1.113 CCNc1ccc(cn1)C(=O)N 27a_100015525214_100000162237 [0,1,0,0,0,0|3,0,0]=4 558 B12R1.113 CCOc1ccc(cc1)C(=O)C 1458a_100000181891_200000210301 [0,1,0,0,0,0|2,0,0]=3 559 B12R1.113 CCOc1ccc(cc1)C(=O)C 34a_100000185113_100000210202 [0,1,0,0,0,0|2,0,0]=3 560 B12R1.113 CCOc1ccc(cc1)C(=O)C 7a_100000185113_100000210202 [0,1,0,0,0,0|2,0,0]=3 561 B12R1.113 CCOc1ccc(cc1)C(=O)N 34a_100000746352_100000210202 [0,1,0,0,0,0|2,0,0]=3 562 B12R1.113 CCOc1ccc(cc1)C(=O)N 7a_100000746352_100000210202 [0,1,0,0,0,0|2,0,0]=3 563 B12R1.113 CCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000181891_200025704644 [0,1,0,0,0,0|2,0,0]=3 564 B12R1.113 CCOc1ccc(cc1)C(C)O 34a_100000754508_100000210202 [0,1,0,0,0,0|2,0,1]=4 565 B12R1.113 CCOc1ccc(cc1)C(C)O 7a_100000754508_100000210202 [0,1,0,0,0,0|2,0,1]=4 566 B12R1.113 CCOc1ccc(cc1)S(=O)C 34a_200000064373_100000210202 [0,1,0,0,0,0|3,0,0]=4 567 B12R1.113 CCOc1ccc(cc1)S(=O)C 7a_200000064373_100000210202 [0,1,0,0,0,0|3,0,0]=4 568 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000210202 [0,1,0,0,0,0|2,0,1]=4 569 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000210202 [0,1,0,0,0,0|2,0,1]=4 570 B12R1.113 CCOc1ccc(nc1)C(=O)C 34a_100012001710_100000210202 [0,1,0,0,0,0|3,0,0]=4 571 B12R1.113 CCOc1ccc(nc1)C(=O)C 7a_100012001710_100000210202 [0,1,0,0,0,0|3,0,0]=4 572 B12R1.113 CCSc1ccc(cc1)B(O)O 62a_100000210202_100000754493 [0,1,0,0,0,0|2,0,1]=4 573 B12R1.113 CCSc1ccc(cc1)B(O)O 62a_100000754493_100000210202 [0,1,0,0,0,0|2,0,1]=4 574 B12R1.113 CCSc1ccc(cc1)C(=O)C 1458a_100000244969_200000210301 [0,1,0,0,0,0|2,0,0]=3 575 B12R1.113 CCSc1ccc(cc1)C(=O)C 62a_100000185465_100000210202 [0,1,0,0,0,0|2,0,0]=3 576 B12R1.113 CCSc1ccc(cc1)C(=O)C 62a_100000210202_100000185465 [0,1,0,0,0,0|2,0,0]=3 577 B12R1.113 CCSc1ccc(cc1)C(=O)N 62a_100000162191_100000210202 [0,1,0,0,0,0|2,0,0]=3 578 B12R1.113 CCSc1ccc(cc1)C(=O)N 62a_100000210202_100000162191 [0,1,0,0,0,0|2,0,0]=3 579 B12R1.113 CCSc1ccc(cc1)C(=O)[13CH3] 1458a_100000244969_200025704644 [0,1,0,0,0,0|2,0,0]=3 580 B12R1.113 CCSc1ccc(cc1)C(C)O 62a_100000210202_100000745893 [0,1,0,0,0,0|2,0,1]=4 581 B12R1.113 CCSc1ccc(cc1)C(C)O 62a_100000745893_100000210202 [0,1,0,0,0,0|2,0,1]=4 582 B12R1.113 CCSc1ccc(cc1)S(=O)C 62a_100009816266_100000210202 [0,1,0,0,0,0|3,0,0]=4 583 B12R1.113 CCSc1ccc(cn1)C(=O)C 62a_100000210202_100000684857 [0,1,0,0,0,0|3,0,0]=4 584 B12R1.113 CCSc1ccc(cn1)C(=O)C 62a_100000684857_100000210202 [0,1,0,0,0,0|3,0,0]=4 585 B12R1.113 CCSc1ccc(cn1)C(=O)N 62a_100000162237_100000210202 [0,1,0,0,0,0|3,0,0]=4 586 B12R1.113 CCSc1ccc(cn1)C(=O)N 62a_100000210202_100000162237 [0,1,0,0,0,0|3,0,0]=4 587 B12R1.113 CCSc1ccc(nc1)C(=O)C 62a_100000210202_100000686046 [0,1,0,0,0,0|3,0,0]=4 588 B12R1.113 CCSc1ccc(nc1)C(=O)C 62a_100000686046_100000210202 [0,1,0,0,0,0|3,0,0]=4 589 B12R1.113 CCSc1ccc(nc1)C(=O)N 62a_100000210202_100011219284 [0,1,0,0,0,0|3,0,0]=4 590 B12R1.113 CCSc1ccc(nc1)C(=O)N 62a_100011219284_100000210202 [0,1,0,0,0,0|3,0,0]=4 591 B12R1.113 CNCc1ccc(cc1)B(O)O 2230a_106832991635_100009813762 [0,1,0,0,0,0|1,0,1]=3 592 B12R1.113 CNCc1ccc(cc1)B(O)O 34a_100102657272_100009813762 [0,1,0,0,0,0|1,0,1]=3 593 B12R1.113 CNCc1ccc(cc1)B(O)O 7a_106832991635_100009813762 [0,1,0,0,0,0|1,0,1]=3 594 B12R1.113 CNCc1ccc(cc1)C(=O)C 2230a_106832991635_100000756337 [0,1,0,0,0,0|1,0,0]=2 595 B12R1.113 CNCc1ccc(cc1)C(=O)C 26a_100102657272_100000185113 [0,1,0,0,0,0|1,0,0]=2 596 B12R1.113 CNCc1ccc(cc1)C(=O)C 34a_100102657272_100000756337 [0,1,0,0,0,0|1,0,0]=2 597 B12R1.113 CNCc1ccc(cc1)C(=O)C 7a_106832991635_100000756337 [0,1,0,0,0,0|1,0,0]=2 598 B12R1.113 CNCc1ccc(cc1)C(=O)N 207a_100102657272_100000038677 [0,1,0,0,0,0|1,0,0]=2 599 B12R1.113 CNCc1ccc(cc1)C(=O)N 2230a_106832991635_100000231043 [0,1,0,0,0,0|1,0,0]=2 600 B12R1.113 CNCc1ccc(cc1)C(=O)N 270004a_106832991635_100000038677 [0,1,0,0,0,0|1,0,0]=2 601 B12R1.113 CNCc1ccc(cc1)C(=O)N 34a_100102657272_100000231043 [0,1,0,0,0,0|1,0,0]=2 602 B12R1.113 CNCc1ccc(cc1)C(=O)N 7a_106832991635_100000231043 [0,1,0,0,0,0|1,0,0]=2 603 B12R1.113 CNCc1ccc(cc1)C(=O)O 269956a_100000181780_200000210301 [0,1,0,0,0,0|0,0,0]=1 604 B12R1.113 CNCc1ccc(cc1)C(=O)[O-] 26a_100102657272_100016998105 [0,1,0,0,0,0|0,0,1]=2 605 B12R1.113 CNCc1ccc(cc1)C(C)C 207a_100102657272_100000210693 [0,1,0,0,0,0|2,0,1]=4 606 B12R1.113 CNCc1ccc(cc1)C(C)C 2230a_100000174979_200000210301 [0,1,0,0,0,0|2,0,1]=4 607 B12R1.113 CNCc1ccc(cc1)C(C)C 2230a_106832991635_100000181262 [0,1,0,0,0,0|2,0,1]=4 608 B12R1.113 CNCc1ccc(cc1)C(C)C 26a_100102657272_100000181308 [0,1,0,0,0,0|2,0,1]=4 609 B12R1.113 CNCc1ccc(cc1)C(C)C 270004a_106832991635_100000210693 [0,1,0,0,0,0|2,0,1]=4 610 B12R1.113 CNCc1ccc(cc1)C(C)C 34a_100000174979_200000210301 [0,1,0,0,0,0|2,0,1]=4 611 B12R1.113 CNCc1ccc(cc1)C(C)C 34a_100102657272_100000181262 [0,1,0,0,0,0|2,0,1]=4 612 B12R1.113 CNCc1ccc(cc1)C(C)C 7a_106832991635_100000181262 [0,1,0,0,0,0|2,0,1]=4 613 B12R1.113 CNCc1ccc(cc1)C(C)O 2230a_200000048501_200000210301 [0,1,0,0,0,0|1,0,1]=3 614 B12R1.113 CNCc1ccc(cc1)C(C)O 26a_100102657272_100000754508 [0,1,0,0,0,0|1,0,1]=3 615 B12R1.113 CNCc1ccc(cc1)C(C)O 34a_200000048501_200000210301 [0,1,0,0,0,0|1,0,1]=3 616 B12R1.113 CNCc1ccc(cc1)C(F)F 2230a_100025706676_200000210301 [0,1,0,0,0,0|2,0,1]=4 617 B12R1.113 CNCc1ccc(cc1)C(F)F 2230a_106832991635_200012343607 [0,1,0,0,0,0|2,0,1]=4 618 B12R1.113 CNCc1ccc(cc1)C(F)F 34a_100025706676_200000210301 [0,1,0,0,0,0|2,0,1]=4 619 B12R1.113 CNCc1ccc(cc1)C(F)F 34a_100102657272_200012343607 [0,1,0,0,0,0|2,0,1]=4 620 B12R1.113 CNCc1ccc(cc1)C(F)F 7a_106832991635_200012343607 [0,1,0,0,0,0|2,0,1]=4 621 B12R1.113 CNCc1ccc(cc1)N(C)C 207a_100102657272_100000185837 [0,1,0,0,0,0|3,0,0]=4 622 B12R1.113 CNCc1ccc(cc1)N(C)C 270004a_106832991635_100000185837 [0,1,0,0,0,0|3,0,0]=4 623 B12R1.113 CNCc1ccc(cc1)S(=O)C 26a_100102657272_200000064373 [0,1,0,0,0,0|2,0,0]=3 624 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 207a_100102657272_100000189386 [0,1,0,0,0,0|1,0,1]=3 625 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_200000210301 [0,1,0,0,0,0|1,0,1]=3 626 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 2230a_106832991635_100000181861 [0,1,0,0,0,0|1,0,1]=3 627 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 26a_100102657272_100000185810 [0,1,0,0,0,0|1,0,1]=3 628 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 270004a_106832991635_100000189386 [0,1,0,0,0,0|1,0,1]=3 629 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_200000210301 [0,1,0,0,0,0|1,0,1]=3 630 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 34a_100102657272_100000181861 [0,1,0,0,0,0|1,0,1]=3 631 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 7a_106832991635_100000181861 [0,1,0,0,0,0|1,0,1]=3 632 B12R1.113 CNCc1ccc(cc1)[S+](C)C 26a_100102657272_100010188728 [0,1,0,0,0,0|3,0,0]=4 633 B12R1.113 CNCc1ccc(nc1)C(=O)O 269956a_100000762669_200000210301 [0,1,0,0,0,0|1,0,0]=2 634 B12R1.113 COCc1ccc(cc1)B(O)O 34a_100138415774_100009813762 [0,1,0,0,0,0|2,0,1]=4 635 B12R1.113 COCc1ccc(cc1)C(=O)C 1458a_100000189608_200000210301 [0,1,0,0,0,0|2,0,0]=3 636 B12R1.113 COCc1ccc(cc1)C(=O)C 34a_100138415774_100000756337 [0,1,0,0,0,0|2,0,0]=3 637 B12R1.113 COCc1ccc(cc1)C(=O)C 7a_100000082505_200000210301 [0,1,0,0,0,0|2,0,0]=3 638 B12R1.113 COCc1ccc(cc1)C(=O)N 34a_100000162016_200000210301 [0,1,0,0,0,0|2,0,0]=3 639 B12R1.113 COCc1ccc(cc1)C(=O)N 34a_100138415774_100000231043 [0,1,0,0,0,0|2,0,0]=3 640 B12R1.113 COCc1ccc(cc1)C(=O)N 7a_100000162016_200000210301 [0,1,0,0,0,0|2,0,0]=3 641 B12R1.113 COCc1ccc(cc1)C(=O)[13CH3] 1458a_100000189608_200025704644 [0,1,0,0,0,0|2,0,0]=3 642 B12R1.113 COCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_200000210301 [0,1,0,0,0,0|2,0,1]=4 643 B12R1.113 COCc1ccc(cc1)[N+](=O)[O-] 34a_100138415774_100000181861 [0,1,0,0,0,0|2,0,1]=4 644 B12R1.113 CS(=O)c1ccc(cc1)OCF 34a_200000064373_100015361967 [0,1,0,0,0,0|3,0,0]=4 645 B12R1.113 CS(=O)c1ccc(cc1)OCF 7a_200000064373_100015361967 [0,1,0,0,0,0|3,0,0]=4 646 B12R1.113 CS(=O)c1ccc(cc1)SCF 62a_100009816266_100015361967 [0,1,0,0,0,0|3,0,0]=4 647 B12R1.113 CSCc1ccc(cc1)B(O)O 62a_100009813762_200000210301 [0,1,0,0,0,0|2,0,1]=4 648 B12R1.113 CSCc1ccc(cc1)B(O)O 62a_200000210301_100009813762 [0,1,0,0,0,0|2,0,1]=4 649 B12R1.113 CSCc1ccc(cc1)C(=O)C 1458a_100000175442_200000210301 [0,1,0,0,0,0|2,0,0]=3 650 B12R1.113 CSCc1ccc(cc1)C(=O)C 62a_100000756337_200000210301 [0,1,0,0,0,0|2,0,0]=3 651 B12R1.113 CSCc1ccc(cc1)C(=O)C 62a_200000210301_100000756337 [0,1,0,0,0,0|2,0,0]=3 652 B12R1.113 CSCc1ccc(cc1)C(=O)N 62a_100000231043_200000210301 [0,1,0,0,0,0|2,0,0]=3 653 B12R1.113 CSCc1ccc(cc1)C(=O)N 62a_200000210301_100000231043 [0,1,0,0,0,0|2,0,0]=3 654 B12R1.113 CSCc1ccc(cc1)C(=O)[13CH3] 1458a_100000175442_200025704644 [0,1,0,0,0,0|2,0,0]=3 655 B12R1.113 CSCc1ccc(cc1)[N+](=O)[O-] 62a_200000210301_100000184243 [0,1,0,0,0,0|2,0,1]=4 656 B12R1.113 NC(=O)c1ccc(cc1)NCF 34a_100000210537_100015361967 [0,1,0,0,0,0|2,0,0]=3 657 B12R1.113 NC(=O)c1ccc(cc1)OCF 34a_100000746352_100015361967 [0,1,0,0,0,0|2,0,0]=3 658 B12R1.113 NC(=O)c1ccc(cc1)OCF 7a_100000746352_100015361967 [0,1,0,0,0,0|2,0,0]=3 659 B12R1.113 NC(=O)c1ccc(cc1)SCF 62a_100000162191_100015361967 [0,1,0,0,0,0|2,0,0]=3 660 B12R1.113 NC(=O)c1ccc(cc1)SCF 62a_100015361967_100000162191 [0,1,0,0,0,0|2,0,0]=3 661 B12R1.113 NC(=O)c1ccc(cn1)SCF 62a_100011219284_100015361967 [0,1,0,0,0,0|3,0,0]=4 662 B12R1.113 NC(=O)c1ccc(cn1)SCF 62a_100015361967_100011219284 [0,1,0,0,0,0|3,0,0]=4 663 B12R1.113 NC(=O)c1ccc(nc1)SCF 62a_100000162237_100015361967 [0,1,0,0,0,0|3,0,0]=4 664 B12R1.113 NC(=O)c1ccc(nc1)SCF 62a_100015361967_100000162237 [0,1,0,0,0,0|3,0,0]=4 665 B12R1.113 O=[N+]([O-])c1ccc(cc1)NCF 34a_100015195142_100015361967 [0,1,0,0,0,0|2,0,1]=4 666 B12R1.113 O=[N+]([O-])c1ccc(cc1)OCF 34a_100000185810_100015361967 [0,1,0,0,0,0|2,0,1]=4 667 B12R1.113 O=[N+]([O-])c1ccc(cc1)OCF 7a_100000185810_100015361967 [0,1,0,0,0,0|2,0,1]=4 668 B12R1.113 OB(O)c1ccc(cc1)SCF 62a_100000754493_100015361967 [0,1,0,0,0,0|2,0,1]=4 669 B12R1.113 OB(O)c1ccc(cc1)SCF 62a_100015361967_100000754493 [0,1,0,0,0,0|2,0,1]=4 670 B12R1.113 [13CH3]C(=O)c1ccc(cc1)CC#N 1458a_100000693995_200025704644 [0,1,0,0,0,0|1,0,1]=3 671 B12R1.113 [13CH3]C(=O)c1ccc(cc1)CCO 1458a_100000078963_200025704644 [0,1,0,0,0,0|2,0,0]=3 672 B12R1.113 [13CH3]C(=O)c1ccc(cc1)N=[N+]=[N-] 1458a_100000039380_200025704644 [0,1,0,0,0,0|2,0,1]=4 673 B12R1.113 [13CH3]NCc1ccc(cc1)C(=O)O 269956a_100000181780_200025704644 [0,1,0,0,0,0|0,0,0]=1 674 B12R1.113 [13CH3]NCc1ccc(cc1)C(F)F 2230a_100025706676_200025704644 [0,1,0,0,0,0|2,0,1]=4 675 B12R1.113 [13CH3]NCc1ccc(cc1)C(F)F 34a_100025706676_200025704644 [0,1,0,0,0,0|2,0,1]=4 676 B12R1.113 [13CH3]NCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_200025704644 [0,1,0,0,0,0|1,0,1]=3 677 B12R1.113 [13CH3]NCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_200025704644 [0,1,0,0,0,0|1,0,1]=3 678 B12R1.113 [13CH3]NCc1ccc(nc1)C(=O)O 269956a_100000762669_200025704644 [0,1,0,0,0,0|1,0,0]=2 679 B12R1.113 [13CH3]OCc1ccc(cc1)C(=O)N 34a_100000162016_200025704644 [0,1,0,0,0,0|2,0,0]=3 680 B12R1.113 [13CH3]OCc1ccc(cc1)C(=O)N 7a_100000162016_200025704644 [0,1,0,0,0,0|2,0,0]=3 681 B12R1.113 [13CH3]OCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_200025704644 [0,1,0,0,0,0|2,0,1]=4 682 B12R1.113 [13CH3]SCc1ccc(cc1)B(O)O 62a_100009813762_200025704644 [0,1,0,0,0,0|2,0,1]=4 683 B12R1.113 [13CH3]SCc1ccc(cc1)B(O)O 62a_200025704644_100009813762 [0,1,0,0,0,0|2,0,1]=4 684 B12R1.113 [13CH3]SCc1ccc(cc1)C(=O)N 62a_100000231043_200025704644 [0,1,0,0,0,0|2,0,0]=3 685 B12R1.113 [13CH3]SCc1ccc(cc1)C(=O)N 62a_200025704644_100000231043 [0,1,0,0,0,0|2,0,0]=3 686 B12R1.113 [13CH3]SCc1ccc(cc1)[N+](=O)[O-] 62a_200025704644_100000184243 [0,1,0,0,0,0|2,0,1]=4 687 B12R1.256 C=C(C)c1ccc(cc1)C(=O)C 1458a_200009908186_200000210301 [0,1,0,0,0,0|2,0,1]=4 688 B12R1.256 C=C(C)c1ccc(cc1)C(=O)C 271570a_100000694244_100000185465 [0,1,0,0,0,0|2,0,1]=4 689 B12R1.256 C=C(C)c1ccc(cc1)C(=O)N 271570a_100000694244_100000162191 [0,1,0,0,0,0|2,0,1]=4 690 B12R1.256 C=C(C)c1ccc(cc1)C(=O)[13CH3] 1458a_200009908186_200025704644 [0,1,0,0,0,0|2,0,1]=4 691 B12R1.256 C=C(C)c1ccc(cc1)C(C)C 271570a_100000694244_100000750031 [0,1,0,0,0,0|3,0,0]=4 692 B12R1.256 C=C(C)c1ccc(cc1)C(C)O 271570a_100000694244_100000745893 [0,1,0,0,0,0|3,0,0]=4 693 B12R1.256 C=C(C)c1ccc(cc1)C(F)F 271570a_100000694244_100010189923 [0,1,0,0,0,0|3,0,0]=4 694 B12R1.256 C=C(C)c1ccc(cc1)[C@@H](C)N 271570a_100000694244_100000720352 [0,1,0,0,0,0|2,0,0]=3 695 B12R1.256 C=C(C)c1ccc(cc1)[C@H](C)N 271570a_100000694244_100000753911 [0,1,0,0,0,0|2,0,0]=3 696 B12R1.256 C=C(C)c1ccc(cn1)[C@H](C)N 271570a_100000694244_100015387476 [0,1,0,0,0,0|3,0,0]=4 697 B12R1.256 C=C(C)c1ccc(nc1)C(C)N 271570a_100000694244_100000723930 [0,1,0,0,0,0|3,0,0]=4 698 B12R1.256 CC(=O)c1ccc(cc1)C(=O)N 1458a_100000230133_200000210301 [0,1,0,0,0,0|1,0,1]=3 699 B12R1.256 CC(=O)c1ccc(cc1)C(C)C 1458a_100000210772_200000210301 [0,1,0,0,0,0|2,0,0]=3 700 B12R1.256 CC(=O)c1ccc(cc1)C(C)O 1458a_100000076921_200000210301 [0,1,0,0,0,0|2,0,0]=3 701 B12R1.256 CC(=O)c1ccc(cc1)C(F)F 1458a_100011735500_200000210301 [0,1,0,0,0,0|2,0,0]=3 702 B12R1.256 CC(=O)c1ccc(cc1)N(C)C 1458a_100000210873_200000210301 [0,1,0,0,0,0|3,0,0]=4 703 B12R1.256 CC(=O)c1ccc(cc1)S(=O)C 1458a_200000217594_200000210301 [0,1,0,0,0,0|3,0,0]=4 704 B12R1.256 CC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_200000210301 [0,1,0,0,0,0|3,0,0]=4 705 B12R1.256 CC(=O)c1ccc(nc1)C(F)F 1458a_100009846429_200000210301 [0,1,0,0,0,0|3,0,0]=4 706 B12R1.256 CC(C)c1ccc(cc1)C(=O)[13CH3] 1458a_100000210772_200025704644 [0,1,0,0,0,0|2,0,0]=3 707 B12R1.256 CC(O)c1ccc(cc1)C(=O)[13CH3] 1458a_100000076921_200025704644 [0,1,0,0,0,0|2,0,0]=3 708 B12R1.256 CN(C)c1ccc(cc1)C(=O)N 27a_100102631434_100000162191 [0,1,0,0,0,0|3,0,0]=4 709 B12R1.256 CN(C)c1ccc(cc1)C(=O)[13CH3] 1458a_100000210873_200025704644 [0,1,0,0,0,0|3,0,0]=4 710 B12R1.256 CS(=O)c1ccc(cc1)C(=O)[13CH3] 1458a_200000217594_200025704644 [0,1,0,0,0,0|3,0,0]=4 711 B12R1.256 [13CH3]C(=O)c1ccc(cc1)C(=O)N 1458a_100000230133_200025704644 [0,1,0,0,0,0|1,0,1]=3 712 B12R1.256 [13CH3]C(=O)c1ccc(cc1)C(F)F 1458a_100011735500_200025704644 [0,1,0,0,0,0|2,0,0]=3 713 B12R1.256 [13CH3]C(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_200025704644 [0,1,0,0,0,0|3,0,0]=4 714 B12R1.256 [13CH3]C(=O)c1ccc(nc1)C(F)F 1458a_100009846429_200025704644 [0,1,0,0,0,0|3,0,0]=4 715 B12R1.452 C#Cc1ccc(c(c1)Cl)C(=O)C 1458a_100103168756_200000210301 [0,1,0,0,0,0|2,0,1]=4 716 B12R1.452 C#Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100103168756_200025704644 [0,1,0,0,0,0|2,0,1]=4 717 B12R1.452 C=C(C)c1ccc(cc1Br)CC 271570a_100000694244_200009997437 [0,1,0,0,0,0|3,0,0]=4 718 B12R1.452 C=C(C)c1ccc(cc1C)CN 271570a_100000694244_100015205234 [0,1,0,0,0,0|2,0,0]=3 719 B12R1.452 C=C(C)c1ccc(cc1C)CO 271570a_100000694244_100000718852 [0,1,0,0,0,0|3,0,0]=4 720 B12R1.452 C=C(C)c1ccc(cc1C)NN 271570a_100000694244_100000745493 [0,1,0,0,0,0|3,0,0]=4 721 B12R1.452 C=C(C)c1ccc(cc1Cl)CO 271570a_100000694244_100000718186 [0,1,0,0,0,0|3,0,0]=4 722 B12R1.452 C=C(C)c1ccc(cc1F)CC 271570a_100000694244_200010339503 [0,1,0,0,0,0|3,0,0]=4 723 B12R1.452 C=C(C)c1ccc(cc1F)CN 271570a_100000694244_100000755036 [0,1,0,0,0,0|2,0,0]=3 724 B12R1.452 C=C(C)c1ccc(cc1F)CO 271570a_100000694244_100011533735 [0,1,0,0,0,0|3,0,0]=4 725 B12R1.452 C=C(C)c1ccc(cc1F)NN 271570a_100000694244_100016992936 [0,1,0,0,0,0|3,0,0]=4 726 B12R1.452 C=C(C)c1ccc(cc1N)CO 271570a_100000694244_100012347568 [0,1,0,0,0,0|3,0,0]=4 727 B12R1.452 C=C(C)c1ccc(cc1O)CO 271570a_100000694244_100000049605 [0,1,0,0,0,0|3,0,0]=4 728 B12R1.452 C=Cc1ccc(c(c1)Br)C(=O)N 271570a_100011290941_200010146565 [0,1,0,0,0,0|2,0,1]=4 729 B12R1.452 C=Cc1ccc(c(c1)C)C(=O)C 271570a_100011290941_100012360112 [0,1,0,0,0,0|2,0,1]=4 730 B12R1.452 C=Cc1ccc(c(c1)C)C(=O)N 271570a_100011290941_100011327924 [0,1,0,0,0,0|2,0,1]=4 731 B12R1.452 C=Cc1ccc(c(c1)F)C(=O)C 271570a_100011290941_100000690205 [0,1,0,0,0,0|2,0,1]=4 732 B12R1.452 C=Cc1ccc(c(c1)F)C(=O)N 271570a_100011290941_100000216903 [0,1,0,0,0,0|2,0,1]=4 733 B12R1.452 C=Cc1ccc(c(c1)N)C(=O)C 271570a_100011290941_100011590516 [0,1,0,0,0,0|2,0,1]=4 734 B12R1.452 C=Cc1ccc(c(c1)N)C(=O)N 271570a_100011290941_100012349972 [0,1,0,0,0,0|2,0,1]=4 735 B12R1.452 C=Cc1ccc(c(c1)O)C(=O)C 271570a_100011290941_100000188348 [0,1,0,0,0,0|2,0,1]=4 736 B12R1.452 C=Cc1ccc(c(c1)O)C(=O)N 271570a_100011290941_100011550861 [0,1,0,0,0,0|2,0,1]=4 737 B12R1.452 CC(=O)c1ccc(cc1Br)C#N 1458a_100010244945_200000210301 [0,1,0,0,0,0|1,0,2]=4 738 B12R1.452 CC(=O)c1ccc(cc1Br)O[13CH3] 34a_100012340537_200025704644 [0,1,0,0,0,0|3,0,0]=4 739 B12R1.452 CC(=O)c1ccc(cc1Br)O[13CH3] 7a_100012340537_200025704644 [0,1,0,0,0,0|3,0,0]=4 740 B12R1.452 CC(=O)c1ccc(cc1C)C#N 1458a_100000691869_200000210301 [0,1,0,0,0,0|1,0,2]=4 741 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 34a_100000702595_200025704644 [0,1,0,0,0,0|3,0,0]=4 742 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 7a_100000702595_200025704644 [0,1,0,0,0,0|3,0,0]=4 743 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_100012360112_200025704644 [0,1,0,0,0,0|3,0,0]=4 744 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_200025704644_100012360112 [0,1,0,0,0,0|3,0,0]=4 745 B12R1.452 CC(=O)c1ccc(cc1Cl)C#N 1458a_100000100588_200000210301 [0,1,0,0,0,0|1,0,2]=4 746 B12R1.452 CC(=O)c1ccc(cc1Cl)CO 1458a_100015659073_200000210301 [0,1,0,0,0,0|2,0,0]=3 747 B12R1.452 CC(=O)c1ccc(cc1Cl)O[13CH3] 34a_100011933989_200025704644 [0,1,0,0,0,0|3,0,0]=4 748 B12R1.452 CC(=O)c1ccc(cc1Cl)O[13CH3] 7a_100011933989_200025704644 [0,1,0,0,0,0|3,0,0]=4 749 B12R1.452 CC(=O)c1ccc(cc1F)C#N 1458a_100000238375_200000210301 [0,1,0,0,0,0|1,0,2]=4 750 B12R1.452 CC(=O)c1ccc(cc1F)CO 1458a_100011934814_200000210301 [0,1,0,0,0,0|2,0,0]=3 751 B12R1.452 CC(=O)c1ccc(cc1F)O[13CH3] 34a_100000752407_200025704644 [0,1,0,0,0,0|3,0,0]=4 752 B12R1.452 CC(=O)c1ccc(cc1F)O[13CH3] 7a_100000752407_200025704644 [0,1,0,0,0,0|3,0,0]=4 753 B12R1.452 CC(=O)c1ccc(cc1F)S[13CH3] 62a_100000690205_200025704644 [0,1,0,0,0,0|3,0,0]=4 754 B12R1.452 CC(=O)c1ccc(cc1N)S[13CH3] 62a_100011590516_200025704644 [0,1,0,0,0,0|3,0,0]=4 755 B12R1.452 CCc1ccc(c(c1)F)C(=O)C 1458a_200009867912_200000210301 [0,1,0,0,0,0|2,0,0]=3 756 B12R1.452 CCc1ccc(c(c1)F)C(=O)[13CH3] 1458a_200009867912_200025704644 [0,1,0,0,0,0|2,0,0]=3 757 B12R1.452 CNc1ccc(c(c1)Br)C(=O)N 27a_100102657272_200010146565 [0,1,0,0,0,0|3,0,0]=4 758 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 27a_100102657272_100011327924 [0,1,0,0,0,0|3,0,0]=4 759 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 34a_200000751758_200000210301 [0,1,0,0,0,0|3,0,0]=4 760 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 7a_200000751758_200000210301 [0,1,0,0,0,0|3,0,0]=4 761 B12R1.452 CNc1ccc(c(c1)Cl)C(=O)N 34a_100000737725_200000210301 [0,1,0,0,0,0|3,0,0]=4 762 B12R1.452 CNc1ccc(c(c1)Cl)C(=O)N 7a_100000737725_200000210301 [0,1,0,0,0,0|3,0,0]=4 763 B12R1.452 CNc1ccc(c(c1)F)C(=O)C 27a_100102657272_100000690205 [0,1,0,0,0,0|3,0,0]=4 764 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 27a_100102657272_100000216903 [0,1,0,0,0,0|3,0,0]=4 765 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 34a_100000749959_200000210301 [0,1,0,0,0,0|3,0,0]=4 766 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 7a_100000749959_200000210301 [0,1,0,0,0,0|3,0,0]=4 767 B12R1.452 CNc1ccc(c(c1)O)C(=O)N 34a_100000223280_200000210301 [0,1,0,0,0,0|3,0,0]=4 768 B12R1.452 CNc1ccc(c(c1)O)C(=O)N 7a_100000223280_200000210301 [0,1,0,0,0,0|3,0,0]=4 769 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 1458a_100000748873_200000210301 [0,1,0,0,0,0|3,0,0]=4 770 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 34a_100012340537_200000210301 [0,1,0,0,0,0|3,0,0]=4 771 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 7a_100012340537_200000210301 [0,1,0,0,0,0|3,0,0]=4 772 B12R1.452 COc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000748873_200025704644 [0,1,0,0,0,0|3,0,0]=4 773 B12R1.452 COc1ccc(c(c1)C)C(=O)C 1458a_100000763155_200000210301 [0,1,0,0,0,0|3,0,0]=4 774 B12R1.452 COc1ccc(c(c1)C)C(=O)C 34a_100000702595_200000210301 [0,1,0,0,0,0|3,0,0]=4 775 B12R1.452 COc1ccc(c(c1)C)C(=O)C 7a_100000702595_200000210301 [0,1,0,0,0,0|3,0,0]=4 776 B12R1.452 COc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000763155_200025704644 [0,1,0,0,0,0|3,0,0]=4 777 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 1458a_100000753557_200000210301 [0,1,0,0,0,0|3,0,0]=4 778 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 34a_100011933989_200000210301 [0,1,0,0,0,0|3,0,0]=4 779 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 7a_100011933989_200000210301 [0,1,0,0,0,0|3,0,0]=4 780 B12R1.452 COc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_200000210301 [0,1,0,0,0,0|3,0,0]=4 781 B12R1.452 COc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_200000210301 [0,1,0,0,0,0|3,0,0]=4 782 B12R1.452 COc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000753557_200025704644 [0,1,0,0,0,0|3,0,0]=4 783 B12R1.452 COc1ccc(c(c1)F)C(=O)C 1458a_100000198494_200000210301 [0,1,0,0,0,0|3,0,0]=4 784 B12R1.452 COc1ccc(c(c1)F)C(=O)C 34a_100000752407_200000210301 [0,1,0,0,0,0|3,0,0]=4 785 B12R1.452 COc1ccc(c(c1)F)C(=O)C 7a_100000752407_200000210301 [0,1,0,0,0,0|3,0,0]=4 786 B12R1.452 COc1ccc(c(c1)F)C(=O)N 34a_200012186767_200000210301 [0,1,0,0,0,0|3,0,0]=4 787 B12R1.452 COc1ccc(c(c1)F)C(=O)N 7a_200012186767_200000210301 [0,1,0,0,0,0|3,0,0]=4 788 B12R1.452 COc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000198494_200025704644 [0,1,0,0,0,0|3,0,0]=4 789 B12R1.452 COc1ccc(c(c1)I)C(=O)C 1458a_100000688016_200000210301 [0,1,0,0,0,0|3,0,0]=4 790 B12R1.452 COc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100000688016_200025704644 [0,1,0,0,0,0|3,0,0]=4 791 B12R1.452 COc1ccc(c(c1)N)C(=O)N 34a_100012186684_200000210301 [0,1,0,0,0,0|3,0,0]=4 792 B12R1.452 COc1ccc(c(c1)N)C(=O)N 7a_100012186684_200000210301 [0,1,0,0,0,0|3,0,0]=4 793 B12R1.452 COc1ccc(c(c1)O)C(=O)C 1458a_100000212123_200000210301 [0,1,0,0,0,0|3,0,0]=4 794 B12R1.452 COc1ccc(c(c1)O)C(=O)C 271570a_203496583355_100000697255 [0,1,0,0,0,0|3,0,0]=4 795 B12R1.452 COc1ccc(c(c1)O)C(=O)N 271570a_203496583355_200009815664 [0,1,0,0,0,0|3,0,0]=4 796 B12R1.452 COc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212123_200025704644 [0,1,0,0,0,0|3,0,0]=4 797 B12R1.452 CSc1ccc(c(c1)Br)C(=O)N 62a_200010146565_200000210301 [0,1,0,0,0,0|3,0,0]=4 798 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 1458a_100012278374_200000210301 [0,1,0,0,0,0|3,0,0]=4 799 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_100012360112_200000210301 [0,1,0,0,0,0|3,0,0]=4 800 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_200000210301_100012360112 [0,1,0,0,0,0|3,0,0]=4 801 B12R1.452 CSc1ccc(c(c1)C)C(=O)N 62a_100011327924_200000210301 [0,1,0,0,0,0|3,0,0]=4 802 B12R1.452 CSc1ccc(c(c1)C)C(=O)N 62a_200000210301_100011327924 [0,1,0,0,0,0|3,0,0]=4 803 B12R1.452 CSc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100012278374_200025704644 [0,1,0,0,0,0|3,0,0]=4 804 B12R1.452 CSc1ccc(c(c1)F)C(=O)C 62a_100000690205_200000210301 [0,1,0,0,0,0|3,0,0]=4 805 B12R1.452 CSc1ccc(c(c1)F)C(=O)N 62a_100000216903_200000210301 [0,1,0,0,0,0|3,0,0]=4 806 B12R1.452 CSc1ccc(c(c1)N)C(=O)C 62a_100011590516_200000210301 [0,1,0,0,0,0|3,0,0]=4 807 B12R1.452 CSc1ccc(c(c1)N)C(=O)N 62a_100012349972_200000210301 [0,1,0,0,0,0|3,0,0]=4 808 B12R1.452 CSc1ccc(c(c1)O)C(=O)N 62a_100011550861_200000210301 [0,1,0,0,0,0|3,0,0]=4 809 B12R1.452 Cc1cc(ccc1C(=O)N)N[13CH3] 34a_200000751758_200025704644 [0,1,0,0,0,0|3,0,0]=4 810 B12R1.452 Cc1cc(ccc1C(=O)N)N[13CH3] 7a_200000751758_200025704644 [0,1,0,0,0,0|3,0,0]=4 811 B12R1.452 Cc1cc(ccc1C(=O)N)S[13CH3] 62a_100011327924_200025704644 [0,1,0,0,0,0|3,0,0]=4 812 B12R1.452 Cc1cc(ccc1C(=O)N)S[13CH3] 62a_200025704644_100011327924 [0,1,0,0,0,0|3,0,0]=4 813 B12R1.452 Cc1cc(ccc1C(=O)[13CH3])C#N 1458a_100000691869_200025704644 [0,1,0,0,0,0|1,0,2]=4 814 B12R1.452 [13CH3]C(=O)c1ccc(cc1Br)C#N 1458a_100010244945_200025704644 [0,1,0,0,0,0|1,0,2]=4 815 B12R1.452 [13CH3]C(=O)c1ccc(cc1Cl)C#N 1458a_100000100588_200025704644 [0,1,0,0,0,0|1,0,2]=4 816 B12R1.452 [13CH3]C(=O)c1ccc(cc1Cl)CO 1458a_100015659073_200025704644 [0,1,0,0,0,0|2,0,0]=3 817 B12R1.452 [13CH3]C(=O)c1ccc(cc1F)C#N 1458a_100000238375_200025704644 [0,1,0,0,0,0|1,0,2]=4 818 B12R1.452 [13CH3]C(=O)c1ccc(cc1F)CO 1458a_100011934814_200025704644 [0,1,0,0,0,0|2,0,0]=3 819 B12R1.452 [13CH3]Nc1ccc(c(c1)Cl)C(=O)N 34a_100000737725_200025704644 [0,1,0,0,0,0|3,0,0]=4 820 B12R1.452 [13CH3]Nc1ccc(c(c1)Cl)C(=O)N 7a_100000737725_200025704644 [0,1,0,0,0,0|3,0,0]=4 821 B12R1.452 [13CH3]Nc1ccc(c(c1)F)C(=O)N 34a_100000749959_200025704644 [0,1,0,0,0,0|3,0,0]=4 822 B12R1.452 [13CH3]Nc1ccc(c(c1)F)C(=O)N 7a_100000749959_200025704644 [0,1,0,0,0,0|3,0,0]=4 823 B12R1.452 [13CH3]Nc1ccc(c(c1)O)C(=O)N 34a_100000223280_200025704644 [0,1,0,0,0,0|3,0,0]=4 824 B12R1.452 [13CH3]Nc1ccc(c(c1)O)C(=O)N 7a_100000223280_200025704644 [0,1,0,0,0,0|3,0,0]=4 825 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_200025704644 [0,1,0,0,0,0|3,0,0]=4 826 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_200025704644 [0,1,0,0,0,0|3,0,0]=4 827 B12R1.452 [13CH3]Oc1ccc(c(c1)F)C(=O)N 34a_200012186767_200025704644 [0,1,0,0,0,0|3,0,0]=4 828 B12R1.452 [13CH3]Oc1ccc(c(c1)F)C(=O)N 7a_200012186767_200025704644 [0,1,0,0,0,0|3,0,0]=4 829 B12R1.452 [13CH3]Oc1ccc(c(c1)N)C(=O)N 34a_100012186684_200025704644 [0,1,0,0,0,0|3,0,0]=4 830 B12R1.452 [13CH3]Oc1ccc(c(c1)N)C(=O)N 7a_100012186684_200025704644 [0,1,0,0,0,0|3,0,0]=4 831 B12R1.452 [13CH3]Sc1ccc(c(c1)Br)C(=O)N 62a_200010146565_200025704644 [0,1,0,0,0,0|3,0,0]=4 832 B12R1.452 [13CH3]Sc1ccc(c(c1)F)C(=O)N 62a_100000216903_200025704644 [0,1,0,0,0,0|3,0,0]=4 833 B12R1.452 [13CH3]Sc1ccc(c(c1)N)C(=O)N 62a_100012349972_200025704644 [0,1,0,0,0,0|3,0,0]=4 834 B12R1.452 [13CH3]Sc1ccc(c(c1)O)C(=O)N 62a_100011550861_200025704644 [0,1,0,0,0,0|3,0,0]=4 835 B12R2.9 NCc1ccc(cc1)C2CC2 271570a_100011220607_100016989417 [0,0,0,1,0,0|2,0,1]=4 836 B12R2.1384 C=C(C)c1ccc2c(c1)CC2 271570a_100000694244_100009818592 [0,0,0,1,0,0|3,0,0]=4 837 B12R2.1384 CC(=O)c1ccc2c(c1)CC2 1458a_100000137882_200000210301 [0,0,0,1,0,0|2,0,0]=3 838 B12R2.1384 [13CH3]C(=O)c1ccc2c(c1)CC2 1458a_100000137882_200025704644 [0,0,0,1,0,0|2,0,0]=3 839 B10R1.31 C=C(C)c1ccc(o1)CN 271570a_100000694244_100000708654 [0,0,0,0,1,0|3,0,0]=4 840 B10R1.31 C=C(C)c1ccc(s1)CN 271570a_100000694244_100000737305 [0,0,0,0,1,0|3,0,0]=4 841 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000140223 [0,0,0,0,0,1|2,0,1]=4 842 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_200009884166_200000210301 [0,0,0,0,0,1|2,0,1]=4 843 B12R1.4 C#Cc1ccc(cc1)CC(=O)[13CH3] 1458a_200009884166_200025704644 [0,0,0,0,0,1|2,0,1]=4 844 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 11a_100011215031_100015343762 [0,0,0,0,0,1|2,0,1]=4 845 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 1626a_100011215031_100015343762 [0,0,0,0,0,1|2,0,1]=4 846 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 22a_100011215031_100000070787 [0,0,0,0,0,1|2,0,1]=4 847 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 527a_100011215031_100103153847 [0,0,0,0,0,1|2,0,1]=4 848 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000034074 [0,0,0,0,0,1|2,0,1]=4 849 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 271570a_100011290941_100000691760 [0,0,0,0,0,1|2,0,1]=4 850 B12R1.4 C=Cc1ccc(cc1)CC(=O)N 271570a_100011290941_100000162331 [0,0,0,0,0,1|2,0,1]=4 851 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 11a_100011218248_100015343762 [0,0,0,0,0,1|2,0,1]=4 852 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 1626a_100011218248_100015343762 [0,0,0,0,0,1|2,0,1]=4 853 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 22a_100011218248_100000070787 [0,0,0,0,0,1|2,0,1]=4 854 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 271570a_100011290941_100000155215 [0,0,0,0,0,1|2,0,1]=4 855 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 527a_100011218248_100103153847 [0,0,0,0,0,1|2,0,1]=4 856 B12R1.4 C=Cc1ccc(cc1)NC(=O)N 271570a_100011290941_100000198584 [0,0,0,0,0,1|2,0,1]=4 857 B12R1.4 C=Cc1ccc(cc1)OC(=O)C 271570a_100011290941_100000002173 [0,0,0,0,0,1|2,0,1]=4 858 B12R1.4 C=Cc1ccc(cc1)SC(=O)C 271570a_100011290941_200009995050 [0,0,0,0,0,1|2,0,1]=4 859 B12R1.4 CC(=Cc1ccc(cc1)CF)C 271570a_100102525489_100010268989 [0,0,0,0,0,1|3,0,0]=4 860 B12R1.4 CC(=Cc1ccc(cc1)CN)C 271570a_100102525489_100016989417 [0,0,0,0,0,1|2,0,0]=3 861 B12R1.4 CC(=Cc1ccc(cc1)CO)C 271570a_100102525489_100000690907 [0,0,0,0,0,1|3,0,0]=4 862 B12R1.4 CC(=Cc1ccc(cc1)NN)C 271570a_100102525489_100016988836 [0,0,0,0,0,1|3,0,0]=4 863 B12R1.4 CC(=Cc1ccc(cn1)CN)C 271570a_100102525489_100009817727 [0,0,0,0,0,1|3,0,0]=4 864 B12R1.4 CC(=Cc1ccc(nc1)CN)C 271570a_100102525489_100015188789 [0,0,0,0,0,1|3,0,0]=4 865 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000070787_100000184898 [0,0,0,0,0,1|1,0,2]=4 866 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200000210301 [0,0,0,0,0,1|1,0,2]=4 867 B12R1.4 CC(=O)Cc1ccc(cc1)C=O 1458a_100000070787_100000075337 [0,0,0,0,0,1|2,0,1]=4 868 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100000070787_100000067286 [0,0,0,0,0,1|2,0,0]=3 869 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100011356463_200000210301 [0,0,0,0,0,1|2,0,0]=3 870 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 34a_100011218180_200025704644 [0,0,0,0,0,1|3,0,0]=4 871 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 7a_100011218180_200025704644 [0,0,0,0,0,1|3,0,0]=4 872 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000691760_200025704644 [0,0,0,0,0,1|3,0,0]=4 873 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000691760 [0,0,0,0,0,1|3,0,0]=4 874 B12R1.4 CC(=O)Nc1ccc(cc1)C#N 11a_100000185469_100015343762 [0,0,0,0,0,1|1,0,2]=4 875 B12R1.4 CC(=O)Nc1ccc(cc1)C#N 1626a_100000185469_100015343762 [0,0,0,0,0,1|1,0,2]=4 876 B12R1.4 CC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000070787 [0,0,0,0,0,1|2,0,0]=3 877 B12R1.4 CC(=O)Nc1ccc(cc1)N[13CH3] 34a_100000184111_200025704644 [0,0,0,0,0,1|3,0,0]=4 878 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100000184395_200025704644 [0,0,0,0,0,1|3,0,0]=4 879 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 7a_100000184395_200025704644 [0,0,0,0,0,1|3,0,0]=4 880 B12R1.4 CC(=O)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000155215 [0,0,0,0,0,1|3,0,0]=4 881 B12R1.4 CC(=O)Oc1ccc(cc1)S[13CH3] 62a_200025704644_100000002173 [0,0,0,0,0,1|3,0,0]=4 882 B12R1.4 CC(=O)Sc1ccc(cc1)S[13CH3] 62a_200009995050_200025704644 [0,0,0,0,0,1|3,0,0]=4 883 B12R1.4 CC(C)Oc1ccc(cc1)CN 34a_100000185549_100000210206 [0,0,0,0,0,1|2,0,1]=4 884 B12R1.4 CC(C)Sc1ccc(cc1)CN 62a_100000210206_100016989417 [0,0,0,0,0,1|2,0,1]=4 885 B12R1.4 CC(C)Sc1ccc(cc1)CN 62a_100016989417_100000210206 [0,0,0,0,0,1|2,0,1]=4 886 B12R1.4 CCc1ccc(cc1)C=C(C)C 271570a_100102525489_100011215824 [0,0,0,0,0,1|3,0,0]=4 887 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_100000070787_100000747183 [0,0,0,0,0,1|2,0,0]=3 888 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_200000759805_200000210301 [0,0,0,0,0,1|2,0,0]=3 889 B12R1.4 CCc1ccc(cc1)CC(=O)[13CH3] 1458a_200000759805_200025704644 [0,0,0,0,0,1|2,0,0]=3 890 B12R1.4 CCc1ccc(cc1)NC(=O)C 11a_100000211069_100015343762 [0,0,0,0,0,1|2,0,0]=3 891 B12R1.4 CCc1ccc(cc1)NC(=O)C 1626a_100000211069_100015343762 [0,0,0,0,0,1|2,0,0]=3 892 B12R1.4 CCc1ccc(cc1)NC(=O)C 22a_100000211069_100000070787 [0,0,0,0,0,1|2,0,0]=3 893 B12R1.4 CCc1ccc(cc1)NC(=O)C 527a_100000211069_100103153847 [0,0,0,0,0,1|2,0,0]=3 894 B12R1.4 CNc1ccc(cc1)CC(=O)N 2230a_100000738315_200000210301 [0,0,0,0,0,1|3,0,0]=4 895 B12R1.4 CNc1ccc(cc1)CC(=O)N 34a_100000738315_200000210301 [0,0,0,0,0,1|3,0,0]=4 896 B12R1.4 CNc1ccc(cc1)NC(=O)C 34a_100000184111_200000210301 [0,0,0,0,0,1|3,0,0]=4 897 B12R1.4 COc1ccc(cc1)CC(=O)C 1458a_100000210706_200000210301 [0,0,0,0,0,1|3,0,0]=4 898 B12R1.4 COc1ccc(cc1)CC(=O)C 34a_100011218180_200000210301 [0,0,0,0,0,1|3,0,0]=4 899 B12R1.4 COc1ccc(cc1)CC(=O)C 7a_100011218180_200000210301 [0,0,0,0,0,1|3,0,0]=4 900 B12R1.4 COc1ccc(cc1)CC(=O)N 34a_100000020825_200000210301 [0,0,0,0,0,1|3,0,0]=4 901 B12R1.4 COc1ccc(cc1)CC(=O)[13CH3] 1458a_100000210706_200025704644 [0,0,0,0,0,1|3,0,0]=4 902 B12R1.4 COc1ccc(cc1)NC(=O)C 11a_100000184247_100015343762 [0,0,0,0,0,1|3,0,0]=4 903 B12R1.4 COc1ccc(cc1)NC(=O)C 1626a_100000184247_100015343762 [0,0,0,0,0,1|3,0,0]=4 904 B12R1.4 COc1ccc(cc1)NC(=O)C 22a_100000184247_100000070787 [0,0,0,0,0,1|3,0,0]=4 905 B12R1.4 COc1ccc(cc1)NC(=O)C 34a_100000184395_200000210301 [0,0,0,0,0,1|3,0,0]=4 906 B12R1.4 COc1ccc(cc1)NC(=O)C 527a_100000184247_100103153847 [0,0,0,0,0,1|3,0,0]=4 907 B12R1.4 COc1ccc(cc1)NC(=O)C 7a_100000184395_200000210301 [0,0,0,0,0,1|3,0,0]=4 908 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000070787_100000181263 [0,0,0,0,0,1|3,0,0]=4 909 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000756958_200000210301 [0,0,0,0,0,1|3,0,0]=4 910 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_100000691760_200000210301 [0,0,0,0,0,1|3,0,0]=4 911 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_200000210301_100000691760 [0,0,0,0,0,1|3,0,0]=4 912 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_100000162331_200000210301 [0,0,0,0,0,1|3,0,0]=4 913 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_200000210301_100000162331 [0,0,0,0,0,1|3,0,0]=4 914 B12R1.4 CSc1ccc(cc1)CC(=O)[13CH3] 1458a_100000756958_200025704644 [0,0,0,0,0,1|3,0,0]=4 915 B12R1.4 CSc1ccc(cc1)NC(=O)C 11a_100000212337_100015343762 [0,0,0,0,0,1|3,0,0]=4 916 B12R1.4 CSc1ccc(cc1)NC(=O)C 22a_100000212337_100000070787 [0,0,0,0,0,1|3,0,0]=4 917 B12R1.4 CSc1ccc(cc1)NC(=O)C 527a_100000212337_100103153847 [0,0,0,0,0,1|3,0,0]=4 918 B12R1.4 CSc1ccc(cc1)NC(=O)C 62a_200000210301_100000155215 [0,0,0,0,0,1|3,0,0]=4 919 B12R1.4 CSc1ccc(cc1)NC(=O)N 62a_200000210301_100000198584 [0,0,0,0,0,1|3,0,0]=4 920 B12R1.4 CSc1ccc(cc1)OC(=O)C 62a_200000210301_100000002173 [0,0,0,0,0,1|3,0,0]=4 921 B12R1.4 CSc1ccc(cc1)SC(=O)C 62a_200009995050_200000210301 [0,0,0,0,0,1|3,0,0]=4 922 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200025704644 [0,0,0,0,0,1|1,0,2]=4 923 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)CO 1458a_100011356463_200025704644 [0,0,0,0,0,1|2,0,0]=3 924 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 2230a_100000738315_200025704644 [0,0,0,0,0,1|3,0,0]=4 925 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 34a_100000738315_200025704644 [0,0,0,0,0,1|3,0,0]=4 926 B12R1.4 [13CH3]Oc1ccc(cc1)CC(=O)N 34a_100000020825_200025704644 [0,0,0,0,0,1|3,0,0]=4 927 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_100000162331_200025704644 [0,0,0,0,0,1|3,0,0]=4 928 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_200025704644_100000162331 [0,0,0,0,0,1|3,0,0]=4 929 B12R1.4 [13CH3]Sc1ccc(cc1)NC(=O)N 62a_200025704644_100000198584 [0,0,0,0,0,1|3,0,0]=4 930 B9R1.1 C=Cc1ccc(cc1)Br 271570a_100011290941_100000752885 [2,0,0,0,0,0|2,0,0]=4 931 B9R1.1 C=Cc1ccc(cc1)C 271570a_100011290941_100000186775 [2,0,0,0,0,0|1,0,0]=3 932 B9R1.1 C=Cc1ccc(cc1)Cl 271570a_100011290941_100000755918 [2,0,0,0,0,0|2,0,0]=4 933 B9R1.1 C=Cc1ccc(cc1)F 271570a_100011290941_100000211213 [2,0,0,0,0,0|2,0,0]=4 934 B9R1.1 C=Cc1ccc(cc1)N 271570a_100011290941_100000185761 [2,0,0,0,0,0|1,0,0]=3 935 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [2,0,0,0,0,0|1,0,1]=4 936 B9R1.1 C=Cc1ccc(cn1)C 271570a_100011290941_100000754016 [2,0,0,0,0,0|2,0,0]=4 937 B9R1.1 C=Cc1ccc(cn1)N 271570a_100011290941_100000744251 [2,0,0,0,0,0|2,0,0]=4 938 B9R1.1 C=Cc1ccc(nc1)C 271570a_100011290941_100000751577 [2,0,0,0,0,0|2,0,0]=4 939 B9R1.1 C=Cc1ccc(nc1)N 271570a_100011290941_100000187370 [2,0,0,0,0,0|2,0,0]=4 940 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [2,0,0,0,0,0|1,0,0]=3 941 B9R1.1 CCc1ccc(cn1)O 271570a_203496583355_100009820025 [2,0,0,0,0,0|2,0,0]=4 942 B9R1.1 CCc1ccc(nc1)O 271570a_203496583355_100009843584 [2,0,0,0,0,0|2,0,0]=4 943 B9R1.1 CNc1ccc(cc1)C 34a_100000124888_200000210301 [2,0,0,0,0,0|2,0,0]=4 944 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [2,0,0,0,0,0|2,0,0]=4 945 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [2,0,0,0,0,0|2,0,0]=4 946 B9R1.1 COc1ccc(cc1)C 34a_100000210336_200000210301 [2,0,0,0,0,0|2,0,0]=4 947 B9R1.1 COc1ccc(cc1)C 7a_100000210336_200000210301 [2,0,0,0,0,0|2,0,0]=4 948 B9R1.1 COc1ccc(cc1)N 34a_100000185829_200000210301 [2,0,0,0,0,0|2,0,0]=4 949 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [2,0,0,0,0,0|2,0,0]=4 950 B9R1.1 CSc1ccc(cc1)C 62a_100000186775_200000210301 [2,0,0,0,0,0|2,0,0]=4 951 B9R1.1 CSc1ccc(cc1)C 62a_200000210301_100000186775 [2,0,0,0,0,0|2,0,0]=4 952 B9R1.1 CSc1ccc(cc1)N 62a_100000185761_200000210301 [2,0,0,0,0,0|2,0,0]=4 953 B9R1.1 CSc1ccc(cc1)N 62a_200000210301_100000185761 [2,0,0,0,0,0|2,0,0]=4 954 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [2,0,0,0,0,0|2,0,0]=4 955 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [2,0,0,0,0,0|2,0,0]=4 956 B9R1.1 Cc1ccc(cc1)N[13CH3] 34a_100000124888_200025704644 [2,0,0,0,0,0|2,0,0]=4 957 B9R1.1 Cc1ccc(cc1)O[13CH3] 34a_100000210336_200025704644 [2,0,0,0,0,0|2,0,0]=4 958 B9R1.1 Cc1ccc(cc1)O[13CH3] 7a_100000210336_200025704644 [2,0,0,0,0,0|2,0,0]=4 959 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_100000186775_200025704644 [2,0,0,0,0,0|2,0,0]=4 960 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000186775 [2,0,0,0,0,0|2,0,0]=4 961 B9R1.1 N#Cc1ccc(cc1)O 271570a_203496583355_100000179745 [2,0,0,0,0,0|0,0,2]=4 962 B9R1.1 NCc1ccc(cc1)O 271570a_203496583355_100016989417 [2,0,0,0,0,0|0,0,0]=2 963 B9R1.1 NCc1ccc(cn1)O 271570a_203496583355_100015188789 [2,0,0,0,0,0|1,0,0]=3 964 B9R1.1 NCc1ccc(nc1)O 271570a_203496583355_100009817727 [2,0,0,0,0,0|1,0,0]=3 965 B9R1.1 NCc1ncc(cn1)O 271570a_203496583355_200016993442 [2,0,0,0,0,0|2,0,0]=4 966 B9R1.1 NNc1ccc(cc1)O 271570a_203496583355_100016988836 [2,0,0,0,0,0|1,0,0]=3 967 B9R1.1 NNc1ccc(cn1)O 271570a_203496583355_100000750576 [2,0,0,0,0,0|2,0,0]=4 968 B9R1.1 NNc1ccc(nc1)O 271570a_203496583355_100000119030 [2,0,0,0,0,0|2,0,0]=4 969 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [2,0,0,0,0,0|1,0,0]=3 970 B9R1.1 O=Cc1ccc(cn1)O 271570a_203496583355_100000754260 [2,0,0,0,0,0|2,0,0]=4 971 B9R1.1 O=Cc1ccc(nc1)O 271570a_203496583355_100000766901 [2,0,0,0,0,0|2,0,0]=4 972 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [2,0,0,0,0,0|1,0,0]=3 973 B9R1.1 OCc1ccc(cn1)O 271570a_203496583355_100000754261 [2,0,0,0,0,0|2,0,0]=4 974 B9R1.1 OCc1ccc(nc1)O 271570a_203496583355_100009816760 [2,0,0,0,0,0|2,0,0]=4 975 B9R1.1 Oc1ccc(cc1)CF 271570a_203496583355_100010268989 [2,0,0,0,0,0|1,0,0]=3 976 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [2,0,0,0,0,0|2,0,0]=4 977 B9R1.1 [13CH3]Oc1ccc(cc1)N 34a_100000185829_200025704644 [2,0,0,0,0,0|2,0,0]=4 978 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_100000185761_200025704644 [2,0,0,0,0,0|2,0,0]=4 979 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_200025704644_100000185761 [2,0,0,0,0,0|2,0,0]=4 980 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [2,0,0,0,0,0|2,0,0]=4 981 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [2,0,0,0,0,0|2,0,0]=4 982 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [2,0,0,0,0,0|1,0,0]=3 983 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [2,0,0,0,0,0|1,0,0]=3 984 B11R1.83 C#Cc1ccc(cc1)CNC 207a_100102657272_100011361452 [1,1,0,0,0,0|1,0,1]=4 985 B11R1.83 C#Cc1ccc(cc1)CNC 2230a_100015199678_200000210301 [1,1,0,0,0,0|1,0,1]=4 986 B11R1.83 C#Cc1ccc(cc1)CNC 2230a_106832991635_100000140223 [1,1,0,0,0,0|1,0,1]=4 987 B11R1.83 C#Cc1ccc(cc1)CNC 270004a_106832991635_100011361452 [1,1,0,0,0,0|1,0,1]=4 988 B11R1.83 C#Cc1ccc(cc1)CNC 34a_100015199678_200000210301 [1,1,0,0,0,0|1,0,1]=4 989 B11R1.83 C#Cc1ccc(cc1)CNC 34a_100102657272_100000140223 [1,1,0,0,0,0|1,0,1]=4 990 B11R1.83 C#Cc1ccc(cc1)CNC 7a_106832991635_100000140223 [1,1,0,0,0,0|1,0,1]=4 991 B11R1.83 C#Cc1ccc(cc1)CN[13CH3] 2230a_100015199678_200025704644 [1,1,0,0,0,0|1,0,1]=4 992 B11R1.83 C#Cc1ccc(cc1)CN[13CH3] 34a_100015199678_200025704644 [1,1,0,0,0,0|1,0,1]=4 993 B11R1.83 C=C=Cc1ccc(cc1)C=O 271570a_100015277604_100000186029 [1,1,0,0,0,0|1,0,1]=4 994 B11R1.83 C=C=Cc1ccc(cc1)CC 271570a_100015277604_100011215824 [1,1,0,0,0,0|2,0,0]=4 995 B11R1.83 C=C=Cc1ccc(cc1)CF 271570a_100015277604_100010268989 [1,1,0,0,0,0|2,0,0]=4 996 B11R1.83 C=C=Cc1ccc(cc1)CN 271570a_100015277604_100016989417 [1,1,0,0,0,0|1,0,0]=3 997 B11R1.83 C=C=Cc1ccc(cc1)CO 271570a_100015277604_100000690907 [1,1,0,0,0,0|2,0,0]=4 998 B11R1.83 C=C=Cc1ccc(cc1)NN 271570a_100015277604_100016988836 [1,1,0,0,0,0|2,0,0]=4 999 B11R1.83 C=C=Cc1ccc(cn1)CN 271570a_100015277604_100009817727 [1,1,0,0,0,0|2,0,0]=4 1000 B11R1.83 C=C=Cc1ccc(nc1)CN 271570a_100015277604_100015188789 [1,1,0,0,0,0|2,0,0]=4 1001 B11R1.83 C=Cc1ccc(cc1)CC#N 271570a_100011290941_100011217881 [1,1,0,0,0,0|1,0,1]=4 1002 B11R1.83 C=Cc1ccc(cc1)CC=O 271570a_100011290941_100011361690 [1,1,0,0,0,0|1,0,1]=4 1003 B11R1.83 C=Cc1ccc(cc1)CCC 271570a_100011290941_100000750032 [1,1,0,0,0,0|2,0,0]=4 1004 B11R1.83 C=Cc1ccc(cc1)CCN 271570a_100011290941_100000755846 [1,1,0,0,0,0|1,0,0]=3 1005 B11R1.83 C=Cc1ccc(cc1)CCO 271570a_100011290941_100000766406 [1,1,0,0,0,0|2,0,0]=4 1006 B11R1.83 C=Cc1ccc(cc1)CNC 2230a_106832991635_100000034074 [1,1,0,0,0,0|1,0,0]=3 1007 B11R1.83 C=Cc1ccc(cc1)CNC 26a_100102657272_100000189437 [1,1,0,0,0,0|1,0,0]=3 1008 B11R1.83 C=Cc1ccc(cc1)CNC 270004a_106832991635_100011361436 [1,1,0,0,0,0|1,0,0]=3 1009 B11R1.83 C=Cc1ccc(cc1)CNC 271570a_100011290941_100000180866 [1,1,0,0,0,0|1,0,0]=3 1010 B11R1.83 C=Cc1ccc(cc1)CNC 34a_100102657272_100000034074 [1,1,0,0,0,0|1,0,0]=3 1011 B11R1.83 C=Cc1ccc(cc1)CNC 34a_200011934891_200000210301 [1,1,0,0,0,0|1,0,0]=3 1012 B11R1.83 C=Cc1ccc(cc1)CNC 7a_106832991635_100000034074 [1,1,0,0,0,0|1,0,0]=3 1013 B11R1.83 C=Cc1ccc(cc1)CNN 271570a_100011290941_100016993955 [1,1,0,0,0,0|1,0,0]=3 1014 B11R1.83 C=Cc1ccc(cc1)CN[13CH3] 34a_200011934891_200025704644 [1,1,0,0,0,0|1,0,0]=3 1015 B11R1.83 C=Cc1ccc(cc1)COC 271570a_100011290941_100011493685 [1,1,0,0,0,0|2,0,0]=4 1016 B11R1.83 C=Cc1ccc(cc1)COC 34a_100000073583_200000210301 [1,1,0,0,0,0|2,0,0]=4 1017 B11R1.83 C=Cc1ccc(cc1)COC 34a_100138415774_100000034074 [1,1,0,0,0,0|2,0,0]=4 1018 B11R1.83 C=Cc1ccc(cc1)COC 7a_100000073583_200000210301 [1,1,0,0,0,0|2,0,0]=4 1019 B11R1.83 C=Cc1ccc(cc1)CO[13CH3] 34a_100000073583_200025704644 [1,1,0,0,0,0|2,0,0]=4 1020 B11R1.83 C=Cc1ccc(cc1)CO[13CH3] 7a_100000073583_200025704644 [1,1,0,0,0,0|2,0,0]=4 1021 B11R1.83 C=Cc1ccc(cc1)CSC 62a_100000034074_200000210301 [1,1,0,0,0,0|2,0,0]=4 1022 B11R1.83 C=Cc1ccc(cc1)CSC 62a_200000210301_100000034074 [1,1,0,0,0,0|2,0,0]=4 1023 B11R1.83 C=Cc1ccc(cc1)CS[13CH3] 62a_100000034074_200025704644 [1,1,0,0,0,0|2,0,0]=4 1024 B11R1.83 C=Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000034074 [1,1,0,0,0,0|2,0,0]=4 1025 B11R1.83 C=Cc1ccc(cc1)NCC 271570a_100011290941_100000219632 [1,1,0,0,0,0|2,0,0]=4 1026 B11R1.83 C=Cc1ccc(cc1)NCC 34a_100011218248_100000210202 [1,1,0,0,0,0|2,0,0]=4 1027 B11R1.83 C=Cc1ccc(cc1)NCF 34a_100011218248_100015361967 [1,1,0,0,0,0|2,0,0]=4 1028 B11R1.83 C=Cc1ccc(cc1)OCC 271570a_100011290941_100000169946 [1,1,0,0,0,0|2,0,0]=4 1029 B11R1.83 C=Cc1ccc(cc1)OCC 34a_100000189437_100000210202 [1,1,0,0,0,0|2,0,0]=4 1030 B11R1.83 C=Cc1ccc(cc1)OCC 7a_100000189437_100000210202 [1,1,0,0,0,0|2,0,0]=4 1031 B11R1.83 C=Cc1ccc(cc1)OCF 34a_100000189437_100015361967 [1,1,0,0,0,0|2,0,0]=4 1032 B11R1.83 C=Cc1ccc(cc1)OCF 7a_100000189437_100015361967 [1,1,0,0,0,0|2,0,0]=4 1033 B11R1.83 C=Cc1ccc(cc1)SCC 271570a_100011290941_200009811893 [1,1,0,0,0,0|2,0,0]=4 1034 B11R1.83 C=Cc1ccc(cc1)SCC 62a_100000210202_100000748128 [1,1,0,0,0,0|2,0,0]=4 1035 B11R1.83 C=Cc1ccc(cc1)SCC 62a_100000748128_100000210202 [1,1,0,0,0,0|2,0,0]=4 1036 B11R1.83 C=Cc1ccc(cc1)SCF 62a_100000748128_100015361967 [1,1,0,0,0,0|2,0,0]=4 1037 B11R1.83 C=Cc1ccc(cc1)SCF 62a_100015361967_100000748128 [1,1,0,0,0,0|2,0,0]=4 1038 B11R1.83 C=Cc1ccc(cn1)CNC 271570a_100011290941_100000026953 [1,1,0,0,0,0|2,0,0]=4 1039 B11R1.83 C=Cc1ccc(cn1)CNN 271570a_100011290941_106726394036 [1,1,0,0,0,0|2,0,0]=4 1040 B11R1.83 CC=Cc1ccc(cc1)C=O 271570a_100016259895_100000186029 [1,1,0,0,0,0|1,0,1]=4 1041 B11R1.83 CC=Cc1ccc(cc1)CC 271570a_100016259895_100011215824 [1,1,0,0,0,0|2,0,0]=4 1042 B11R1.83 CC=Cc1ccc(cc1)CF 271570a_100016259895_100010268989 [1,1,0,0,0,0|2,0,0]=4 1043 B11R1.83 CC=Cc1ccc(cc1)CN 271570a_100016259895_100016989417 [1,1,0,0,0,0|1,0,0]=3 1044 B11R1.83 CC=Cc1ccc(cc1)CO 271570a_100016259895_100000690907 [1,1,0,0,0,0|2,0,0]=4 1045 B11R1.83 CC=Cc1ccc(cc1)NN 271570a_100016259895_100016988836 [1,1,0,0,0,0|2,0,0]=4 1046 B11R1.83 CC=Cc1ccc(cn1)CN 271570a_100016259895_100009817727 [1,1,0,0,0,0|2,0,0]=4 1047 B11R1.83 CC=Cc1ccc(nc1)CN 271570a_100016259895_100015188789 [1,1,0,0,0,0|2,0,0]=4 1048 B11R1.83 CCNc1ccc(cc1)CO 2230a_100011215238_100000210202 [1,1,0,0,0,0|1,0,1]=4 1049 B11R1.83 CCNc1ccc(cc1)CO 34a_100011215238_100000210202 [1,1,0,0,0,0|1,0,1]=4 1050 B11R1.83 CCOc1ccc(cc1)CN 34a_100000185549_100000210202 [1,1,0,0,0,0|1,0,1]=4 1051 B11R1.83 CCOc1ccc(cc1)CO 34a_100000211755_100000210202 [1,1,0,0,0,0|1,0,1]=4 1052 B11R1.83 CCSc1ccc(cc1)C=O 62a_100000188517_100000210202 [1,1,0,0,0,0|1,0,0]=3 1053 B11R1.83 CCSc1ccc(cc1)C=O 62a_100000210202_100000188517 [1,1,0,0,0,0|1,0,0]=3 1054 B11R1.83 CCSc1ccc(cc1)CN 62a_100000210202_100016989417 [1,1,0,0,0,0|1,0,1]=4 1055 B11R1.83 CCSc1ccc(cc1)CN 62a_100016989417_100000210202 [1,1,0,0,0,0|1,0,1]=4 1056 B11R1.83 CCSc1ccc(cc1)CO 62a_100000210202_100000690907 [1,1,0,0,0,0|1,0,1]=4 1057 B11R1.83 CCSc1ccc(cc1)CO 62a_100000690907_100000210202 [1,1,0,0,0,0|1,0,1]=4 1058 B11R1.83 CCSc1ccc(cn1)C=O 62a_100000210202_100000766901 [1,1,0,0,0,0|2,0,0]=4 1059 B11R1.83 CCSc1ccc(cn1)C=O 62a_100000766901_100000210202 [1,1,0,0,0,0|2,0,0]=4 1060 B11R1.83 CCSc1ccc(nc1)C=O 62a_100000210202_100000754260 [1,1,0,0,0,0|2,0,0]=4 1061 B11R1.83 CCSc1ccc(nc1)C=O 62a_100000754260_100000210202 [1,1,0,0,0,0|2,0,0]=4 1062 B11R1.83 CCc1ccc(cc1)CNC 207a_100102657272_100000211036 [1,1,0,0,0,0|1,0,1]=4 1063 B11R1.83 CCc1ccc(cc1)CNC 2230a_100000721222_200000210301 [1,1,0,0,0,0|1,0,1]=4 1064 B11R1.83 CCc1ccc(cc1)CNC 2230a_106832991635_100000747183 [1,1,0,0,0,0|1,0,1]=4 1065 B11R1.83 CCc1ccc(cc1)CNC 26a_100102657272_100000211359 [1,1,0,0,0,0|1,0,1]=4 1066 B11R1.83 CCc1ccc(cc1)CNC 270004a_106832991635_100000211036 [1,1,0,0,0,0|1,0,1]=4 1067 B11R1.83 CCc1ccc(cc1)CNC 34a_100000721222_200000210301 [1,1,0,0,0,0|1,0,1]=4 1068 B11R1.83 CCc1ccc(cc1)CNC 34a_100102657272_100000747183 [1,1,0,0,0,0|1,0,1]=4 1069 B11R1.83 CCc1ccc(cc1)CNC 7a_106832991635_100000747183 [1,1,0,0,0,0|1,0,1]=4 1070 B11R1.83 CCc1ccc(cc1)CN[13CH3] 2230a_100000721222_200025704644 [1,1,0,0,0,0|1,0,1]=4 1071 B11R1.83 CCc1ccc(cc1)CN[13CH3] 34a_100000721222_200025704644 [1,1,0,0,0,0|1,0,1]=4 1072 B11R1.83 CCc1ccc(cc1)COC 34a_100000702245_200000210301 [1,1,0,0,0,0|1,0,1]=4 1073 B11R1.83 CCc1ccc(cc1)COC 34a_100138415774_100000747183 [1,1,0,0,0,0|1,0,1]=4 1074 B11R1.83 CCc1ccc(cc1)COC 7a_100000702245_200000210301 [1,1,0,0,0,0|1,0,1]=4 1075 B11R1.83 CCc1ccc(cc1)CO[13CH3] 34a_100000702245_200025704644 [1,1,0,0,0,0|1,0,1]=4 1076 B11R1.83 CCc1ccc(cc1)CO[13CH3] 7a_100000702245_200025704644 [1,1,0,0,0,0|1,0,1]=4 1077 B11R1.83 CNCc1ccc(cc1)C#N 207a_100102657272_100000211122 [1,1,0,0,0,0|1,0,1]=4 1078 B11R1.83 CNCc1ccc(cc1)C#N 2230a_106832991635_100000184898 [1,1,0,0,0,0|1,0,1]=4 1079 B11R1.83 CNCc1ccc(cc1)C#N 26a_100102657272_100000210344 [1,1,0,0,0,0|1,0,1]=4 1080 B11R1.83 CNCc1ccc(cc1)C#N 270004a_106832991635_100000211122 [1,1,0,0,0,0|1,0,1]=4 1081 B11R1.83 CNCc1ccc(cc1)C#N 34a_100015207190_200000210301 [1,1,0,0,0,0|1,0,1]=4 1082 B11R1.83 CNCc1ccc(cc1)C#N 34a_100102657272_100000184898 [1,1,0,0,0,0|1,0,1]=4 1083 B11R1.83 CNCc1ccc(cc1)C#N 7a_106832991635_100000184898 [1,1,0,0,0,0|1,0,1]=4 1084 B11R1.83 CNCc1ccc(cc1)C=O 2230a_106832991635_100009816848 [1,1,0,0,0,0|0,0,0]=2 1085 B11R1.83 CNCc1ccc(cc1)C=O 34a_100102657272_100009816848 [1,1,0,0,0,0|0,0,0]=2 1086 B11R1.83 CNCc1ccc(cc1)C=O 7a_106832991635_100009816848 [1,1,0,0,0,0|0,0,0]=2 1087 B11R1.83 CNCc1ccc(cc1)CO 207a_100102657272_100009832023 [1,1,0,0,0,0|0,0,1]=3 1088 B11R1.83 CNCc1ccc(cc1)CO 2230a_100015189231_200000210301 [1,1,0,0,0,0|0,0,1]=3 1089 B11R1.83 CNCc1ccc(cc1)CO 2230a_106832991635_100000067286 [1,1,0,0,0,0|0,0,1]=3 1090 B11R1.83 CNCc1ccc(cc1)CO 26a_100102657272_100000211755 [1,1,0,0,0,0|0,0,1]=3 1091 B11R1.83 CNCc1ccc(cc1)CO 270004a_106832991635_100009832023 [1,1,0,0,0,0|0,0,1]=3 1092 B11R1.83 CNCc1ccc(cc1)CO 34a_100015189231_200000210301 [1,1,0,0,0,0|0,0,1]=3 1093 B11R1.83 CNCc1ccc(cc1)CO 34a_100102657272_100000067286 [1,1,0,0,0,0|0,0,1]=3 1094 B11R1.83 CNCc1ccc(cc1)CO 7a_106832991635_100000067286 [1,1,0,0,0,0|0,0,1]=3 1095 B11R1.83 CNCc1ccc(cc1)OC 207a_100102657272_100000169835 [1,1,0,0,0,0|2,0,0]=4 1096 B11R1.83 CNCc1ccc(cc1)OC 2230a_106832991635_100000742318 [1,1,0,0,0,0|2,0,0]=4 1097 B11R1.83 CNCc1ccc(cc1)OC 26a_100102657272_100000210503 [1,1,0,0,0,0|2,0,0]=4 1098 B11R1.83 CNCc1ccc(cc1)OC 270004a_106832991635_100000169835 [1,1,0,0,0,0|2,0,0]=4 1099 B11R1.83 CNCc1ccc(cc1)OC 34a_100000185587_200000210301 [1,1,0,0,0,0|2,0,0]=4 1100 B11R1.83 CNCc1ccc(cc1)OC 34a_100000207500_200000210301 [1,1,0,0,0,0|2,0,0]=4 1101 B11R1.83 CNCc1ccc(cc1)OC 34a_100102657272_100000742318 [1,1,0,0,0,0|2,0,0]=4 1102 B11R1.83 CNCc1ccc(cc1)OC 7a_106832991635_100000742318 [1,1,0,0,0,0|2,0,0]=4 1103 B11R1.83 CNCc1ccc(cc1)O[13CH3] 34a_100000207500_200025704644 [1,1,0,0,0,0|2,0,0]=4 1104 B11R1.83 CNCc1ccc(cc1)SC 207a_100102657272_100000211154 [1,1,0,0,0,0|2,0,0]=4 1105 B11R1.83 CNCc1ccc(cc1)SC 2230a_100000174980_200000210301 [1,1,0,0,0,0|2,0,0]=4 1106 B11R1.83 CNCc1ccc(cc1)SC 2230a_106832991635_100000181263 [1,1,0,0,0,0|2,0,0]=4 1107 B11R1.83 CNCc1ccc(cc1)SC 26a_100102657272_100000211864 [1,1,0,0,0,0|2,0,0]=4 1108 B11R1.83 CNCc1ccc(cc1)SC 270004a_106832991635_100000211154 [1,1,0,0,0,0|2,0,0]=4 1109 B11R1.83 CNCc1ccc(cc1)SC 34a_100000174980_200000210301 [1,1,0,0,0,0|2,0,0]=4 1110 B11R1.83 CNCc1ccc(cc1)SC 34a_100102657272_100000181263 [1,1,0,0,0,0|2,0,0]=4 1111 B11R1.83 CNCc1ccc(cc1)SC 62a_100000180866_200000210301 [1,1,0,0,0,0|2,0,0]=4 1112 B11R1.83 CNCc1ccc(cc1)SC 62a_200000210301_100000180866 [1,1,0,0,0,0|2,0,0]=4 1113 B11R1.83 CNCc1ccc(cc1)SC 7a_106832991635_100000181263 [1,1,0,0,0,0|2,0,0]=4 1114 B11R1.83 CNCc1ccc(cc1)S[13CH3] 62a_100000180866_200025704644 [1,1,0,0,0,0|2,0,0]=4 1115 B11R1.83 CNCc1ccc(cc1)S[13CH3] 62a_200025704644_100000180866 [1,1,0,0,0,0|2,0,0]=4 1116 B11R1.83 COCc1ccc(cc1)C=O 34a_100138415774_100009816848 [1,1,0,0,0,0|1,0,0]=3 1117 B11R1.83 COCc1ccc(cc1)CBr 34a_100012353999_200000210301 [1,1,0,0,0,0|1,0,1]=4 1118 B11R1.83 COCc1ccc(cc1)CBr 7a_100012353999_200000210301 [1,1,0,0,0,0|1,0,1]=4 1119 B11R1.83 COCc1ccc(cc1)CCl 34a_100000067286_200000210301 [1,1,0,0,0,0|1,0,1]=4 1120 B11R1.83 COCc1ccc(cc1)CCl 7a_100000067286_200000210301 [1,1,0,0,0,0|1,0,1]=4 1121 B11R1.83 COCc1ccc(cc1)CN 34a_100015189231_200000210301 [1,1,0,0,0,0|0,0,1]=3 1122 B11R1.83 COCc1ccc(cc1)CO 34a_100138415774_100000067286 [1,1,0,0,0,0|1,0,1]=4 1123 B11R1.83 COc1ccc(cc1)CCN 34a_100000743037_200000210301 [1,1,0,0,0,0|2,0,0]=4 1124 B11R1.83 COc1ccc(cc1)CN[13CH3] 34a_100000185587_200025704644 [1,1,0,0,0,0|2,0,0]=4 1125 B11R1.83 CSCc1ccc(cc1)C=O 62a_100009816848_200000210301 [1,1,0,0,0,0|1,0,0]=3 1126 B11R1.83 CSCc1ccc(cc1)C=O 62a_200000210301_100009816848 [1,1,0,0,0,0|1,0,0]=3 1127 B11R1.83 CSCc1ccc(cc1)CO 62a_100000067286_200000210301 [1,1,0,0,0,0|1,0,1]=4 1128 B11R1.83 CSCc1ccc(cc1)CO 62a_200000210301_100000067286 [1,1,0,0,0,0|1,0,1]=4 1129 B11R1.83 CSc1ccc(cc1)CC=O 62a_100011361690_200000210301 [1,1,0,0,0,0|2,0,0]=4 1130 B11R1.83 CSc1ccc(cc1)CC=O 62a_200000210301_100011361690 [1,1,0,0,0,0|2,0,0]=4 1131 B11R1.83 CSc1ccc(cc1)CCN 62a_100000755846_200000210301 [1,1,0,0,0,0|2,0,0]=4 1132 B11R1.83 CSc1ccc(cc1)CCN 62a_200000210301_100000755846 [1,1,0,0,0,0|2,0,0]=4 1133 B11R1.83 CSc1ccc(cc1)CNN 62a_100016993955_200000210301 [1,1,0,0,0,0|2,0,0]=4 1134 B11R1.83 CSc1ccc(cc1)CNN 62a_200000210301_100016993955 [1,1,0,0,0,0|2,0,0]=4 1135 B11R1.83 CSc1ccc(cc1)CN[13CH3] 2230a_100000174980_200025704644 [1,1,0,0,0,0|2,0,0]=4 1136 B11R1.83 CSc1ccc(cc1)CN[13CH3] 34a_100000174980_200025704644 [1,1,0,0,0,0|2,0,0]=4 1137 B11R1.83 NCc1ccc(cc1)OCF 34a_100000185549_100015361967 [1,1,0,0,0,0|1,0,1]=4 1138 B11R1.83 NCc1ccc(cc1)SCF 62a_100015361967_100016989417 [1,1,0,0,0,0|1,0,1]=4 1139 B11R1.83 NCc1ccc(cc1)SCF 62a_100016989417_100015361967 [1,1,0,0,0,0|1,0,1]=4 1140 B11R1.83 O=Cc1ccc(cc1)SCF 62a_100000188517_100015361967 [1,1,0,0,0,0|1,0,0]=3 1141 B11R1.83 O=Cc1ccc(cc1)SCF 62a_100015361967_100000188517 [1,1,0,0,0,0|1,0,0]=3 1142 B11R1.83 O=Cc1ccc(cn1)SCF 62a_100000754260_100015361967 [1,1,0,0,0,0|2,0,0]=4 1143 B11R1.83 O=Cc1ccc(cn1)SCF 62a_100015361967_100000754260 [1,1,0,0,0,0|2,0,0]=4 1144 B11R1.83 O=Cc1ccc(nc1)SCF 62a_100000766901_100015361967 [1,1,0,0,0,0|2,0,0]=4 1145 B11R1.83 O=Cc1ccc(nc1)SCF 62a_100015361967_100000766901 [1,1,0,0,0,0|2,0,0]=4 1146 B11R1.83 OCc1ccc(cc1)NCF 34a_100011215238_100015361967 [1,1,0,0,0,0|1,0,1]=4 1147 B11R1.83 OCc1ccc(cc1)OCF 34a_100000211755_100015361967 [1,1,0,0,0,0|1,0,1]=4 1148 B11R1.83 OCc1ccc(cc1)SCF 62a_100000690907_100015361967 [1,1,0,0,0,0|1,0,1]=4 1149 B11R1.83 OCc1ccc(cc1)SCF 62a_100015361967_100000690907 [1,1,0,0,0,0|1,0,1]=4 1150 B11R1.83 [13CH3]NCc1ccc(cc1)C#N 34a_100015207190_200025704644 [1,1,0,0,0,0|1,0,1]=4 1151 B11R1.83 [13CH3]NCc1ccc(cc1)CO 2230a_100015189231_200025704644 [1,1,0,0,0,0|0,0,1]=3 1152 B11R1.83 [13CH3]NCc1ccc(cc1)CO 34a_100015189231_200025704644 [1,1,0,0,0,0|0,0,1]=3 1153 B11R1.83 [13CH3]OCc1ccc(cc1)CBr 34a_100012353999_200025704644 [1,1,0,0,0,0|1,0,1]=4 1154 B11R1.83 [13CH3]OCc1ccc(cc1)CBr 7a_100012353999_200025704644 [1,1,0,0,0,0|1,0,1]=4 1155 B11R1.83 [13CH3]OCc1ccc(cc1)CCl 34a_100000067286_200025704644 [1,1,0,0,0,0|1,0,1]=4 1156 B11R1.83 [13CH3]OCc1ccc(cc1)CCl 7a_100000067286_200025704644 [1,1,0,0,0,0|1,0,1]=4 1157 B11R1.83 [13CH3]OCc1ccc(cc1)CN 34a_100015189231_200025704644 [1,1,0,0,0,0|0,0,1]=3 1158 B11R1.83 [13CH3]Oc1ccc(cc1)CCN 34a_100000743037_200025704644 [1,1,0,0,0,0|2,0,0]=4 1159 B11R1.83 [13CH3]SCc1ccc(cc1)C=O 62a_100009816848_200025704644 [1,1,0,0,0,0|1,0,0]=3 1160 B11R1.83 [13CH3]SCc1ccc(cc1)C=O 62a_200025704644_100009816848 [1,1,0,0,0,0|1,0,0]=3 1161 B11R1.83 [13CH3]SCc1ccc(cc1)CO 62a_100000067286_200025704644 [1,1,0,0,0,0|1,0,1]=4 1162 B11R1.83 [13CH3]SCc1ccc(cc1)CO 62a_200025704644_100000067286 [1,1,0,0,0,0|1,0,1]=4 1163 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_100011361690_200025704644 [1,1,0,0,0,0|2,0,0]=4 1164 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_200025704644_100011361690 [1,1,0,0,0,0|2,0,0]=4 1165 B11R1.83 [13CH3]Sc1ccc(cc1)CCN 62a_100000755846_200025704644 [1,1,0,0,0,0|2,0,0]=4 1166 B11R1.83 [13CH3]Sc1ccc(cc1)CCN 62a_200025704644_100000755846 [1,1,0,0,0,0|2,0,0]=4 1167 B11R1.83 [13CH3]Sc1ccc(cc1)CNN 62a_100016993955_200025704644 [1,1,0,0,0,0|2,0,0]=4 1168 B11R1.83 [13CH3]Sc1ccc(cc1)CNN 62a_200025704644_100016993955 [1,1,0,0,0,0|2,0,0]=4 1169 B11R1.279 C=Cc1ccc(c(c1)Br)C=O 271570a_100011290941_100010185650 [1,1,0,0,0,0|1,0,1]=4 1170 B11R1.279 C=Cc1ccc(c(c1)Br)CO 271570a_100011290941_100010240206 [1,1,0,0,0,0|2,0,0]=4 1171 B11R1.279 C=Cc1ccc(c(c1)C)C=O 271570a_100011290941_100000687586 [1,1,0,0,0,0|1,0,1]=4 1172 B11R1.279 C=Cc1ccc(c(c1)C)CF 271570a_100011290941_200010711859 [1,1,0,0,0,0|2,0,0]=4 1173 B11R1.279 C=Cc1ccc(c(c1)C)CN 271570a_100011290941_100000753881 [1,1,0,0,0,0|1,0,0]=3 1174 B11R1.279 C=Cc1ccc(c(c1)C)CO 271570a_100011290941_100000748258 [1,1,0,0,0,0|2,0,0]=4 1175 B11R1.279 C=Cc1ccc(c(c1)C)NN 271570a_100011290941_100000751375 [1,1,0,0,0,0|2,0,0]=4 1176 B11R1.279 C=Cc1ccc(c(c1)Cl)C=O 271570a_100011290941_100000727542 [1,1,0,0,0,0|1,0,1]=4 1177 B11R1.279 C=Cc1ccc(c(c1)F)C=O 271570a_100011290941_100000211676 [1,1,0,0,0,0|1,0,1]=4 1178 B11R1.279 C=Cc1ccc(c(c1)F)CC 271570a_100011290941_200010071577 [1,1,0,0,0,0|2,0,0]=4 1179 B11R1.279 C=Cc1ccc(c(c1)F)CN 271570a_100011290941_100000754580 [1,1,0,0,0,0|1,0,0]=3 1180 B11R1.279 C=Cc1ccc(c(c1)F)CO 271570a_100011290941_100011191541 [1,1,0,0,0,0|2,0,0]=4 1181 B11R1.279 C=Cc1ccc(c(c1)F)NN 271570a_100011290941_100000751572 [1,1,0,0,0,0|2,0,0]=4 1182 B11R1.279 C=Cc1ccc(c(c1)N)C=O 271570a_100011290941_100009814810 [1,1,0,0,0,0|1,0,1]=4 1183 B11R1.279 C=Cc1ccc(c(c1)N)CC 271570a_100011290941_100012354963 [1,1,0,0,0,0|2,0,0]=4 1184 B11R1.279 C=Cc1ccc(c(c1)N)CO 271570a_100011290941_100000718831 [1,1,0,0,0,0|2,0,0]=4 1185 B11R1.279 C=Cc1ccc(c(c1)O)C=O 271570a_100011290941_100011277552 [1,1,0,0,0,0|1,0,1]=4 1186 B11R1.279 C=Cc1ccc(c(c1)O)CO 271570a_100011290941_100000071718 [1,1,0,0,0,0|2,0,0]=4 1187 B11R1.279 C=Cc1ccc(cc1Br)CC 271570a_100011290941_200009997437 [1,1,0,0,0,0|2,0,0]=4 1188 B11R1.279 C=Cc1ccc(cc1C)C=O 271570a_100011290941_100000765772 [1,1,0,0,0,0|1,0,1]=4 1189 B11R1.279 C=Cc1ccc(cc1C)CN 271570a_100011290941_100015205234 [1,1,0,0,0,0|1,0,0]=3 1190 B11R1.279 C=Cc1ccc(cc1C)CO 271570a_100011290941_100000718852 [1,1,0,0,0,0|2,0,0]=4 1191 B11R1.279 C=Cc1ccc(cc1C)NN 271570a_100011290941_100000745493 [1,1,0,0,0,0|2,0,0]=4 1192 B11R1.279 C=Cc1ccc(cc1Cl)CO 271570a_100011290941_100000718186 [1,1,0,0,0,0|2,0,0]=4 1193 B11R1.279 C=Cc1ccc(cc1F)C=O 271570a_100011290941_100000686674 [1,1,0,0,0,0|1,0,1]=4 1194 B11R1.279 C=Cc1ccc(cc1F)CC 271570a_100011290941_200010339503 [1,1,0,0,0,0|2,0,0]=4 1195 B11R1.279 C=Cc1ccc(cc1F)CN 271570a_100011290941_100000755036 [1,1,0,0,0,0|1,0,0]=3 1196 B11R1.279 C=Cc1ccc(cc1F)CO 271570a_100011290941_100011533735 [1,1,0,0,0,0|2,0,0]=4 1197 B11R1.279 C=Cc1ccc(cc1F)NN 271570a_100011290941_100016992936 [1,1,0,0,0,0|2,0,0]=4 1198 B11R1.279 C=Cc1ccc(cc1N)CO 271570a_100011290941_100012347568 [1,1,0,0,0,0|2,0,0]=4 1199 B11R1.279 C=Cc1ccc(cc1O)C=O 271570a_100011290941_100000041418 [1,1,0,0,0,0|1,0,1]=4 1200 B11R1.279 C=Cc1ccc(cc1O)CO 271570a_100011290941_100000049605 [1,1,0,0,0,0|2,0,0]=4 1201 B11R1.279 C=Cc1cnc(c(c1)F)CN 271570a_100011290941_100015188786 [1,1,0,0,0,0|2,0,0]=4 1202 B11R1.279 CNc1ccc(cc1O)C=O 271570a_203496583355_200010290468 [1,1,0,0,0,0|2,0,0]=4 1203 B11R1.279 COc1ccc(c(c1)Cl)CN 34a_200161156549_200000210301 [1,1,0,0,0,0|2,0,0]=4 1204 B11R1.279 COc1ccc(c(c1)O)C=O 271570a_203496583355_100000723261 [1,1,0,0,0,0|2,0,0]=4 1205 B11R1.279 COc1ccc(cc1F)CN 34a_100000758358_200000210301 [1,1,0,0,0,0|2,0,0]=4 1206 B11R1.279 COc1ccc(cc1O)C=O 271570a_203496583355_100000173361 [1,1,0,0,0,0|2,0,0]=4 1207 B11R1.279 COc1ccc(cc1O)CN 271570a_203496583355_100159240714 [1,1,0,0,0,0|2,0,0]=4 1208 B11R1.279 CSc1ccc(c(c1)Br)C=O 62a_100010185650_200000210301 [1,1,0,0,0,0|2,0,0]=4 1209 B11R1.279 CSc1ccc(c(c1)Br)C=O 62a_200000210301_100010185650 [1,1,0,0,0,0|2,0,0]=4 1210 B11R1.279 CSc1ccc(c(c1)C)C=O 62a_100000766358_200000210301 [1,1,0,0,0,0|2,0,0]=4 1211 B11R1.279 CSc1ccc(c(c1)C)C=O 62a_200000210301_100000766358 [1,1,0,0,0,0|2,0,0]=4 1212 B11R1.279 CSc1ccc(c(c1)C)CN 62a_100000753881_200000210301 [1,1,0,0,0,0|2,0,0]=4 1213 B11R1.279 CSc1ccc(c(c1)C)CN 62a_200000210301_100000753881 [1,1,0,0,0,0|2,0,0]=4 1214 B11R1.279 CSc1ccc(c(c1)Cl)C=O 62a_100000727542_200000210301 [1,1,0,0,0,0|2,0,0]=4 1215 B11R1.279 CSc1ccc(c(c1)Cl)C=O 62a_200000210301_100000727542 [1,1,0,0,0,0|2,0,0]=4 1216 B11R1.279 CSc1ccc(c(c1)F)C=O 62a_100000211676_200000210301 [1,1,0,0,0,0|2,0,0]=4 1217 B11R1.279 CSc1ccc(c(c1)F)C=O 62a_200000210301_100000211676 [1,1,0,0,0,0|2,0,0]=4 1218 B11R1.279 CSc1ccc(c(c1)F)CN 62a_100000754580_200000210301 [1,1,0,0,0,0|2,0,0]=4 1219 B11R1.279 CSc1ccc(c(c1)F)CN 62a_200000210301_100000754580 [1,1,0,0,0,0|2,0,0]=4 1220 B11R1.279 CSc1ccc(c(c1)N)C=O 62a_100009814810_200000210301 [1,1,0,0,0,0|2,0,0]=4 1221 B11R1.279 CSc1ccc(c(c1)O)C=O 62a_100011277552_200000210301 [1,1,0,0,0,0|2,0,0]=4 1222 B11R1.279 CSc1ccc(c(c1)O)C=O 62a_200000210301_100011277552 [1,1,0,0,0,0|2,0,0]=4 1223 B11R1.279 CSc1ccc(cc1C)C=O 62a_100000765772_200000210301 [1,1,0,0,0,0|2,0,0]=4 1224 B11R1.279 CSc1ccc(cc1C)C=O 62a_200000210301_100000765772 [1,1,0,0,0,0|2,0,0]=4 1225 B11R1.279 CSc1ccc(cc1C)CN 62a_100015205234_200000210301 [1,1,0,0,0,0|2,0,0]=4 1226 B11R1.279 CSc1ccc(cc1C)CN 62a_200000210301_100015205234 [1,1,0,0,0,0|2,0,0]=4 1227 B11R1.279 CSc1ccc(cc1F)C=O 62a_100000686674_200000210301 [1,1,0,0,0,0|2,0,0]=4 1228 B11R1.279 CSc1ccc(cc1F)C=O 62a_200000210301_100000686674 [1,1,0,0,0,0|2,0,0]=4 1229 B11R1.279 CSc1ccc(cc1F)CN 62a_100000755036_200000210301 [1,1,0,0,0,0|2,0,0]=4 1230 B11R1.279 CSc1ccc(cc1F)CN 62a_200000210301_100000755036 [1,1,0,0,0,0|2,0,0]=4 1231 B11R1.279 CSc1ccc(cc1O)C=O 62a_100000041418_200000210301 [1,1,0,0,0,0|2,0,0]=4 1232 B11R1.279 CSc1ccc(cc1O)C=O 62a_200000210301_100000041418 [1,1,0,0,0,0|2,0,0]=4 1233 B11R1.279 Cc1cc(ccc1C=O)S[13CH3] 62a_100000766358_200025704644 [1,1,0,0,0,0|2,0,0]=4 1234 B11R1.279 Cc1cc(ccc1C=O)S[13CH3] 62a_200025704644_100000766358 [1,1,0,0,0,0|2,0,0]=4 1235 B11R1.279 Cc1cc(ccc1CN)S[13CH3] 62a_100000753881_200025704644 [1,1,0,0,0,0|2,0,0]=4 1236 B11R1.279 Cc1cc(ccc1CN)S[13CH3] 62a_200025704644_100000753881 [1,1,0,0,0,0|2,0,0]=4 1237 B11R1.279 Cc1cc(ccc1S[13CH3])C=O 62a_100000765772_200025704644 [1,1,0,0,0,0|2,0,0]=4 1238 B11R1.279 Cc1cc(ccc1S[13CH3])C=O 62a_200025704644_100000765772 [1,1,0,0,0,0|2,0,0]=4 1239 B11R1.279 Cc1cc(ccc1S[13CH3])CN 62a_100015205234_200025704644 [1,1,0,0,0,0|2,0,0]=4 1240 B11R1.279 Cc1cc(ccc1S[13CH3])CN 62a_200025704644_100015205234 [1,1,0,0,0,0|2,0,0]=4 1241 B11R1.279 N#Cc1ccc(c(c1)O)C=O 271570a_203496583355_100012355658 [1,1,0,0,0,0|0,0,2]=4 1242 B11R1.279 N#Cc1ccc(c(c1)O)CN 271570a_203496583355_114948178924 [1,1,0,0,0,0|1,0,1]=4 1243 B11R1.279 N#Cc1ccc(cc1O)C=O 271570a_203496583355_100012355660 [1,1,0,0,0,0|0,0,2]=4 1244 B11R1.279 O=Cc1ccc(c(c1)O)C=O 271570a_203496583355_100015597013 [1,1,0,0,0,0|1,0,1]=4 1245 B11R1.279 OCc1ccc(c(c1)O)CO 271570a_203496583355_100010881536 [1,1,0,0,0,0|1,0,1]=4 1246 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)CN 34a_200161156549_200025704644 [1,1,0,0,0,0|2,0,0]=4 1247 B11R1.279 [13CH3]Oc1ccc(cc1F)CN 34a_100000758358_200025704644 [1,1,0,0,0,0|2,0,0]=4 1248 B11R1.279 [13CH3]Sc1ccc(c(c1)Br)C=O 62a_100010185650_200025704644 [1,1,0,0,0,0|2,0,0]=4 1249 B11R1.279 [13CH3]Sc1ccc(c(c1)Br)C=O 62a_200025704644_100010185650 [1,1,0,0,0,0|2,0,0]=4 1250 B11R1.279 [13CH3]Sc1ccc(c(c1)Cl)C=O 62a_100000727542_200025704644 [1,1,0,0,0,0|2,0,0]=4 1251 B11R1.279 [13CH3]Sc1ccc(c(c1)Cl)C=O 62a_200025704644_100000727542 [1,1,0,0,0,0|2,0,0]=4 1252 B11R1.279 [13CH3]Sc1ccc(c(c1)F)C=O 62a_100000211676_200025704644 [1,1,0,0,0,0|2,0,0]=4 1253 B11R1.279 [13CH3]Sc1ccc(c(c1)F)C=O 62a_200025704644_100000211676 [1,1,0,0,0,0|2,0,0]=4 1254 B11R1.279 [13CH3]Sc1ccc(c(c1)F)CN 62a_100000754580_200025704644 [1,1,0,0,0,0|2,0,0]=4 1255 B11R1.279 [13CH3]Sc1ccc(c(c1)F)CN 62a_200025704644_100000754580 [1,1,0,0,0,0|2,0,0]=4 1256 B11R1.279 [13CH3]Sc1ccc(c(c1)N)C=O 62a_100009814810_200025704644 [1,1,0,0,0,0|2,0,0]=4 1257 B11R1.279 [13CH3]Sc1ccc(c(c1)O)C=O 62a_100011277552_200025704644 [1,1,0,0,0,0|2,0,0]=4 1258 B11R1.279 [13CH3]Sc1ccc(c(c1)O)C=O 62a_200025704644_100011277552 [1,1,0,0,0,0|2,0,0]=4 1259 B11R1.279 [13CH3]Sc1ccc(cc1F)C=O 62a_100000686674_200025704644 [1,1,0,0,0,0|2,0,0]=4 1260 B11R1.279 [13CH3]Sc1ccc(cc1F)C=O 62a_200025704644_100000686674 [1,1,0,0,0,0|2,0,0]=4 1261 B11R1.279 [13CH3]Sc1ccc(cc1F)CN 62a_100000755036_200025704644 [1,1,0,0,0,0|2,0,0]=4 1262 B11R1.279 [13CH3]Sc1ccc(cc1F)CN 62a_200025704644_100000755036 [1,1,0,0,0,0|2,0,0]=4 1263 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_100000041418_200025704644 [1,1,0,0,0,0|2,0,0]=4 1264 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_200025704644_100000041418 [1,1,0,0,0,0|2,0,0]=4 1265 B11R1.21 C=C(C)c1ccc(c(c1)Br)C 271570a_100000694244_100011847877 [1,1,0,0,0,0|2,0,0]=4 1266 B11R1.21 C=C(C)c1ccc(c(c1)Br)N 271570a_100000694244_100000750455 [1,1,0,0,0,0|2,0,0]=4 1267 B11R1.21 C=C(C)c1ccc(c(c1)C)C 271570a_100000694244_100011215607 [1,1,0,0,0,0|2,0,0]=4 1268 B11R1.21 C=C(C)c1ccc(c(c1)C)N 271570a_100000694244_100000211769 [1,1,0,0,0,0|2,0,0]=4 1269 B11R1.21 C=C(C)c1ccc(c(c1)Cl)C 271570a_100000694244_100011216363 [1,1,0,0,0,0|2,0,0]=4 1270 B11R1.21 C=C(C)c1ccc(c(c1)Cl)N 271570a_100000694244_100011218065 [1,1,0,0,0,0|2,0,0]=4 1271 B11R1.21 C=C(C)c1ccc(c(c1)F)C 271570a_100000694244_100000720648 [1,1,0,0,0,0|2,0,0]=4 1272 B11R1.21 C=C(C)c1ccc(c(c1)F)N 271570a_100000694244_100011215594 [1,1,0,0,0,0|2,0,0]=4 1273 B11R1.21 C=C(C)c1ccc(c(c1)N)C 271570a_100000694244_100000761890 [1,1,0,0,0,0|2,0,0]=4 1274 B11R1.21 C=C(C)c1ccc(c(c1)N)N 271570a_100000694244_100000741789 [1,1,0,0,0,0|2,0,0]=4 1275 B11R1.21 C=C(C)c1ccc(c(c1)O)C 271570a_100000694244_100000766334 [1,1,0,0,0,0|2,0,0]=4 1276 B11R1.21 C=C(C)c1ccc(c(c1)O)N 271570a_100000694244_100000739049 [1,1,0,0,0,0|2,0,0]=4 1277 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200000210301 [1,1,0,0,0,0|2,0,0]=4 1278 B11R1.21 CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_200000210301 [1,1,0,0,0,0|1,0,0]=3 1279 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200000210301 [1,1,0,0,0,0|2,0,0]=4 1280 B11R1.21 CC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200000210301 [1,1,0,0,0,0|2,0,0]=4 1281 B11R1.21 CC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200000210301 [1,1,0,0,0,0|2,0,0]=4 1282 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [1,1,0,0,0,0|2,0,0]=4 1283 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [1,1,0,0,0,0|2,0,0]=4 1284 B11R1.21 CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_200000210301 [1,1,0,0,0,0|2,0,0]=4 1285 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_200000210301 [1,1,0,0,0,0|1,0,0]=3 1286 B11R1.21 CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_200000210301 [1,1,0,0,0,0|2,0,0]=4 1287 B11R1.21 CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_200000210301 [1,1,0,0,0,0|2,0,0]=4 1288 B11R1.21 CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_200000210301 [1,1,0,0,0,0|2,0,0]=4 1289 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [1,1,0,0,0,0|2,0,0]=4 1290 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [1,1,0,0,0,0|2,0,0]=4 1291 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200000210301 [1,1,0,0,0,0|2,0,0]=4 1292 B11R1.21 CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_200000210301 [1,1,0,0,0,0|1,0,0]=3 1293 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200000210301 [1,1,0,0,0,0|2,0,0]=4 1294 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200000210301 [1,1,0,0,0,0|2,0,0]=4 1295 B11R1.21 CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200000210301 [1,1,0,0,0,0|2,0,0]=4 1296 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [1,1,0,0,0,0|2,0,0]=4 1297 B11R1.21 CC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200000210301 [1,1,0,0,0,0|2,0,0]=4 1298 B11R1.21 CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_200000210301 [1,1,0,0,0,0|1,0,0]=3 1299 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200000210301 [1,1,0,0,0,0|2,0,0]=4 1300 B11R1.21 CC(=O)c1ccc(c(c1)F)F 1458a_100000209822_200000210301 [1,1,0,0,0,0|2,0,0]=4 1301 B11R1.21 CC(=O)c1ccc(c(c1)F)I 1458a_100000062624_200000210301 [1,1,0,0,0,0|2,0,0]=4 1302 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [1,1,0,0,0,0|2,0,0]=4 1303 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [1,1,0,0,0,0|2,0,0]=4 1304 B11R1.21 CC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200000210301 [1,1,0,0,0,0|2,0,0]=4 1305 B11R1.21 CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_200000210301 [1,1,0,0,0,0|1,0,0]=3 1306 B11R1.21 CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200000210301 [1,1,0,0,0,0|2,0,0]=4 1307 B11R1.21 CC(=O)c1ccc(c(c1)I)F 1458a_100000688015_200000210301 [1,1,0,0,0,0|2,0,0]=4 1308 B11R1.21 CC(=O)c1ccc(c(c1)I)I 1458a_100000725830_200000210301 [1,1,0,0,0,0|2,0,0]=4 1309 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [1,1,0,0,0,0|2,0,0]=4 1310 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [1,1,0,0,0,0|2,0,0]=4 1311 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000210301 [1,1,0,0,0,0|2,0,0]=4 1312 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100010146556 [1,1,0,0,0,0|2,0,0]=4 1313 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [1,1,0,0,0,0|1,0,0]=3 1314 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [1,1,0,0,0,0|1,0,0]=3 1315 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [1,1,0,0,0,0|2,0,0]=4 1316 B11R1.21 CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000210301 [1,1,0,0,0,0|2,0,0]=4 1317 B11R1.21 CC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000239719 [1,1,0,0,0,0|2,0,0]=4 1318 B11R1.21 CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000210301 [1,1,0,0,0,0|2,0,0]=4 1319 B11R1.21 CC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100012029215 [1,1,0,0,0,0|1,0,0]=3 1320 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [1,1,0,0,0,0|2,0,0]=4 1321 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [1,1,0,0,0,0|2,0,0]=4 1322 B11R1.21 Cc1cc(ccc1Br)C(=O)[13CH3] 1458a_100000692631_200025704644 [1,1,0,0,0,0|2,0,0]=4 1323 B11R1.21 Cc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000686306_200025704644 [1,1,0,0,0,0|2,0,0]=4 1324 B11R1.21 Cc1cc(ccc1F)C(=O)[13CH3] 1458a_100000751819_200025704644 [1,1,0,0,0,0|2,0,0]=4 1325 B11R1.21 Cc1cc(ccc1I)C(=O)[13CH3] 1458a_100000751300_200025704644 [1,1,0,0,0,0|2,0,0]=4 1326 B11R1.21 Cc1cc(ccc1O)C(=O)N 271570a_203496583355_100011218126 [1,1,0,0,0,0|2,0,0]=4 1327 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [1,1,0,0,0,0|2,0,0]=4 1328 B11R1.21 Cc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000186397_200025704644 [1,1,0,0,0,0|1,0,0]=3 1329 B11R1.21 Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100000210898_200025704644 [1,1,0,0,0,0|1,0,0]=3 1330 B11R1.21 Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000751740_200025704644 [1,1,0,0,0,0|1,0,0]=3 1331 B11R1.21 Cc1ccc(cc1F)C(=O)[13CH3] 1458a_100000212313_200025704644 [1,1,0,0,0,0|1,0,0]=3 1332 B11R1.21 Cc1ccc(cc1I)C(=O)[13CH3] 1458a_100000751299_200025704644 [1,1,0,0,0,0|1,0,0]=3 1333 B11R1.21 Cc1ccc(cc1O)B(O)O 271570a_203496583355_200010223333 [1,1,0,0,0,0|1,0,1]=4 1334 B11R1.21 Cc1ccc(cc1O)C(=O)N 271570a_203496583355_100000186401 [1,1,0,0,0,0|1,0,0]=3 1335 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [1,1,0,0,0,0|1,0,0]=3 1336 B11R1.21 NC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100009814583 [1,1,0,0,0,0|2,0,0]=4 1337 B11R1.21 NC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000686215 [1,1,0,0,0,0|2,0,0]=4 1338 B11R1.21 NC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011202321 [1,1,0,0,0,0|2,0,0]=4 1339 B11R1.21 NC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012344895 [1,1,0,0,0,0|2,0,0]=4 1340 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200025704644 [1,1,0,0,0,0|2,0,0]=4 1341 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200025704644 [1,1,0,0,0,0|2,0,0]=4 1342 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200025704644 [1,1,0,0,0,0|2,0,0]=4 1343 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200025704644 [1,1,0,0,0,0|2,0,0]=4 1344 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [1,1,0,0,0,0|2,0,0]=4 1345 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200025704644 [1,1,0,0,0,0|2,0,0]=4 1346 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200025704644 [1,1,0,0,0,0|2,0,0]=4 1347 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200025704644 [1,1,0,0,0,0|2,0,0]=4 1348 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200025704644 [1,1,0,0,0,0|2,0,0]=4 1349 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [1,1,0,0,0,0|2,0,0]=4 1350 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200025704644 [1,1,0,0,0,0|2,0,0]=4 1351 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200025704644 [1,1,0,0,0,0|2,0,0]=4 1352 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)F 1458a_100000209822_200025704644 [1,1,0,0,0,0|2,0,0]=4 1353 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)I 1458a_100000062624_200025704644 [1,1,0,0,0,0|2,0,0]=4 1354 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [1,1,0,0,0,0|2,0,0]=4 1355 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200025704644 [1,1,0,0,0,0|2,0,0]=4 1356 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200025704644 [1,1,0,0,0,0|2,0,0]=4 1357 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)F 1458a_100000688015_200025704644 [1,1,0,0,0,0|2,0,0]=4 1358 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)I 1458a_100000725830_200025704644 [1,1,0,0,0,0|2,0,0]=4 1359 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [1,1,0,0,0,0|2,0,0]=4 1360 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200025704644 [1,1,0,0,0,0|2,0,0]=4 1361 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [1,1,0,0,0,0|2,0,0]=4 1362 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)F 1458a_100000035894_200025704644 [1,1,0,0,0,0|2,0,0]=4 1363 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)I 1458a_100000239334_200025704644 [1,1,0,0,0,0|2,0,0]=4 1364 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [1,1,0,0,0,0|2,0,0]=4 1365 B11R1.22 CC(O[13CH3])c1ccc(cc1)N 34a_100011216399_200025704644 [1,1,0,0,0,0|1,0,1]=4 1366 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [1,1,0,0,0,0|2,0,0]=4 1367 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [1,1,0,0,0,0|1,0,0]=3 1368 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [1,1,0,0,0,0|2,0,0]=4 1369 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [1,1,0,0,0,0|2,0,0]=4 1370 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [1,1,0,0,0,0|2,0,0]=4 1371 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [1,1,0,0,0,0|2,0,0]=4 1372 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [1,1,0,0,0,0|2,0,0]=4 1373 B11R1.22 CNC(=O)c1ccc(cc1)Br 11a_106832991635_100000185839 [1,1,0,0,0,0|2,0,0]=4 1374 B11R1.22 CNC(=O)c1ccc(cc1)Br 1626a_100102657272_100000185839 [1,1,0,0,0,0|2,0,0]=4 1375 B11R1.22 CNC(=O)c1ccc(cc1)Br 240690a_100102657272_100000185839 [1,1,0,0,0,0|2,0,0]=4 1376 B11R1.22 CNC(=O)c1ccc(cc1)Br 527a_100102657272_100000185839 [1,1,0,0,0,0|2,0,0]=4 1377 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [1,1,0,0,0,0|1,0,0]=3 1378 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [1,1,0,0,0,0|1,0,0]=3 1379 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [1,1,0,0,0,0|1,0,0]=3 1380 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [1,1,0,0,0,0|1,0,0]=3 1381 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [1,1,0,0,0,0|2,0,0]=4 1382 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [1,1,0,0,0,0|2,0,0]=4 1383 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [1,1,0,0,0,0|2,0,0]=4 1384 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [1,1,0,0,0,0|2,0,0]=4 1385 B11R1.22 CNC(=O)c1ccc(cc1)F 11a_106832991635_100000187176 [1,1,0,0,0,0|2,0,0]=4 1386 B11R1.22 CNC(=O)c1ccc(cc1)F 1626a_100102657272_100000187176 [1,1,0,0,0,0|2,0,0]=4 1387 B11R1.22 CNC(=O)c1ccc(cc1)F 240690a_100102657272_100000187176 [1,1,0,0,0,0|2,0,0]=4 1388 B11R1.22 CNC(=O)c1ccc(cc1)F 527a_100102657272_100000187176 [1,1,0,0,0,0|2,0,0]=4 1389 B11R1.22 CNC(=O)c1ccc(cc1)I 11a_106832991635_100000187904 [1,1,0,0,0,0|2,0,0]=4 1390 B11R1.22 CNC(=O)c1ccc(cc1)I 1626a_100102657272_100000187904 [1,1,0,0,0,0|2,0,0]=4 1391 B11R1.22 CNC(=O)c1ccc(cc1)I 240690a_100102657272_100000187904 [1,1,0,0,0,0|2,0,0]=4 1392 B11R1.22 CNC(=O)c1ccc(cc1)I 527a_100102657272_100000187904 [1,1,0,0,0,0|2,0,0]=4 1393 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [1,1,0,0,0,0|2,0,0]=4 1394 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [1,1,0,0,0,0|2,0,0]=4 1395 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [1,1,0,0,0,0|2,0,0]=4 1396 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [1,1,0,0,0,0|1,0,0]=3 1397 B11R1.22 COC(=O)c1ccc(cn1)O 271570a_203496583355_100000690920 [1,1,0,0,0,0|2,0,0]=4 1398 B11R1.22 COC(=O)c1ccc(nc1)O 271570a_203496583355_100000733799 [1,1,0,0,0,0|2,0,0]=4 1399 B11R1.22 COC(C)c1ccc(cc1)C 34a_100138415774_100011261388 [1,1,0,0,0,0|1,0,1]=4 1400 B11R1.22 COC(C)c1ccc(cc1)N 34a_100011216399_200000210301 [1,1,0,0,0,0|1,0,1]=4 1401 B11R1.22 CO[C@H](C)c1ccc(cc1)C 34a_100000690690_200000210301 [1,1,0,0,0,0|1,0,1]=4 1402 B11R1.22 CO[C@H](C)c1ccc(cc1)C 7a_100000690690_200000210301 [1,1,0,0,0,0|1,0,1]=4 1403 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [1,1,0,0,0,0|1,0,0]=3 1404 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000690690_200025704644 [1,1,0,0,0,0|1,0,1]=4 1405 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000690690_200025704644 [1,1,0,0,0,0|1,0,1]=4 1406 B11R1.22 N#CC(=O)c1ccc(cc1)O 271570a_203496583355_100009994572 [1,1,0,0,0,0|2,0,0]=4 1407 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [1,1,0,0,0,0|2,0,0]=4 1408 B11R1.22 NNC(=O)c1ccc(cc1)O 271570a_203496583355_100000183614 [1,1,0,0,0,0|2,0,0]=4 1409 B11R1.22 O=C(CF)c1ccc(cc1)Br 1458a_100000185839_100015361967 [1,1,0,0,0,0|2,0,0]=4 1410 B11R1.22 O=C(CF)c1ccc(cc1)Cl 1458a_100000210187_100015361967 [1,1,0,0,0,0|2,0,0]=4 1411 B11R1.22 O=C(CF)c1ccc(cc1)F 1458a_100000187176_100015361967 [1,1,0,0,0,0|2,0,0]=4 1412 B11R1.22 O=C(CF)c1ccc(cc1)I 1458a_100000187904_100015361967 [1,1,0,0,0,0|2,0,0]=4 1413 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [1,1,0,0,0,0|2,0,0]=4 1414 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [1,1,0,0,0,0|1,0,0]=3 1415 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [1,1,0,0,0,0|1,0,1]=4 1416 B11R1.166 C=C(C)c1ccc(cc1Br)C 271570a_100000694244_100009813563 [1,1,0,0,0,0|2,0,0]=4 1417 B11R1.166 C=C(C)c1ccc(cc1Br)N 271570a_100000694244_100000750458 [1,1,0,0,0,0|2,0,0]=4 1418 B11R1.166 C=C(C)c1ccc(cc1C)C 271570a_100000694244_100011217332 [1,1,0,0,0,0|2,0,0]=4 1419 B11R1.166 C=C(C)c1ccc(cc1C)N 271570a_100000694244_100000210723 [1,1,0,0,0,0|2,0,0]=4 1420 B11R1.166 C=C(C)c1ccc(cc1Cl)C 271570a_100000694244_100011263221 [1,1,0,0,0,0|2,0,0]=4 1421 B11R1.166 C=C(C)c1ccc(cc1Cl)N 271570a_100000694244_100000761885 [1,1,0,0,0,0|2,0,0]=4 1422 B11R1.166 C=C(C)c1ccc(cc1F)C 271570a_100000694244_100011216119 [1,1,0,0,0,0|2,0,0]=4 1423 B11R1.166 C=C(C)c1ccc(cc1F)N 271570a_100000694244_100011356925 [1,1,0,0,0,0|2,0,0]=4 1424 B11R1.166 C=C(C)c1ccc(cc1N)C 271570a_100000694244_100011216686 [1,1,0,0,0,0|2,0,0]=4 1425 B11R1.166 C=C(C)c1ccc(cc1N)N 271570a_100000694244_200012175722 [1,1,0,0,0,0|2,0,0]=4 1426 B11R1.166 C=C(C)c1ccc(cc1O)C 271570a_100000694244_100012002257 [1,1,0,0,0,0|2,0,0]=4 1427 B11R1.166 CC(=O)c1ccc(cc1Br)Br 1458a_100000762965_200000210301 [1,1,0,0,0,0|2,0,0]=4 1428 B11R1.166 CC(=O)c1ccc(cc1Br)C 1458a_100000685072_200000210301 [1,1,0,0,0,0|1,0,0]=3 1429 B11R1.166 CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200000210301 [1,1,0,0,0,0|2,0,0]=4 1430 B11R1.166 CC(=O)c1ccc(cc1Br)F 1458a_100000212304_200000210301 [1,1,0,0,0,0|2,0,0]=4 1431 B11R1.166 CC(=O)c1ccc(cc1Br)I 1458a_100012360512_200000210301 [1,1,0,0,0,0|2,0,0]=4 1432 B11R1.166 CC(=O)c1ccc(cc1Br)O 1458a_100012344906_200000210301 [1,1,0,0,0,0|2,0,0]=4 1433 B11R1.166 CC(=O)c1ccc(cc1C)Br 1458a_100000741311_200000210301 [1,1,0,0,0,0|2,0,0]=4 1434 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [1,1,0,0,0,0|1,0,0]=3 1435 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [1,1,0,0,0,0|2,0,0]=4 1436 B11R1.166 CC(=O)c1ccc(cc1C)F 1458a_100000686989_200000210301 [1,1,0,0,0,0|2,0,0]=4 1437 B11R1.166 CC(=O)c1ccc(cc1C)I 1458a_100010189873_200000210301 [1,1,0,0,0,0|2,0,0]=4 1438 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [1,1,0,0,0,0|2,0,0]=4 1439 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [1,1,0,0,0,0|2,0,0]=4 1440 B11R1.166 CC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200000210301 [1,1,0,0,0,0|2,0,0]=4 1441 B11R1.166 CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_200000210301 [1,1,0,0,0,0|1,0,0]=3 1442 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200000210301 [1,1,0,0,0,0|2,0,0]=4 1443 B11R1.166 CC(=O)c1ccc(cc1Cl)F 1458a_100000211397_200000210301 [1,1,0,0,0,0|2,0,0]=4 1444 B11R1.166 CC(=O)c1ccc(cc1Cl)I 1458a_100000751301_200000210301 [1,1,0,0,0,0|2,0,0]=4 1445 B11R1.166 CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_200000210301 [1,1,0,0,0,0|2,0,0]=4 1446 B11R1.166 CC(=O)c1ccc(cc1F)Br 1458a_100000214689_200000210301 [1,1,0,0,0,0|2,0,0]=4 1447 B11R1.166 CC(=O)c1ccc(cc1F)C 1458a_100000766033_200000210301 [1,1,0,0,0,0|1,0,0]=3 1448 B11R1.166 CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_200000210301 [1,1,0,0,0,0|2,0,0]=4 1449 B11R1.166 CC(=O)c1ccc(cc1F)F 1458a_100000211022_200000210301 [1,1,0,0,0,0|2,0,0]=4 1450 B11R1.166 CC(=O)c1ccc(cc1F)I 1458a_100000037189_200000210301 [1,1,0,0,0,0|2,0,0]=4 1451 B11R1.166 CC(=O)c1ccc(cc1F)O 1458a_100000689029_200000210301 [1,1,0,0,0,0|2,0,0]=4 1452 B11R1.166 CC(=O)c1ccc(cc1F)O 271570a_203496583355_100000690205 [1,1,0,0,0,0|2,0,0]=4 1453 B11R1.166 CC(=O)c1ccc(cc1I)Br 1458a_100000751167_200000210301 [1,1,0,0,0,0|2,0,0]=4 1454 B11R1.166 CC(=O)c1ccc(cc1I)C 1458a_100009999607_200000210301 [1,1,0,0,0,0|1,0,0]=3 1455 B11R1.166 CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_200000210301 [1,1,0,0,0,0|2,0,0]=4 1456 B11R1.166 CC(=O)c1ccc(cc1I)F 1458a_100000739341_200000210301 [1,1,0,0,0,0|2,0,0]=4 1457 B11R1.166 CC(=O)c1ccc(cc1N)O 271570a_203496583355_100011590516 [1,1,0,0,0,0|2,0,0]=4 1458 B11R1.166 CC(=O)c1ccc(cc1O)Br 1458a_100000744433_200000210301 [1,1,0,0,0,0|2,0,0]=4 1459 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [1,1,0,0,0,0|1,0,0]=3 1460 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [1,1,0,0,0,0|1,0,0]=3 1461 B11R1.166 CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000210301 [1,1,0,0,0,0|2,0,0]=4 1462 B11R1.166 CC(=O)c1ccc(cc1O)F 1458a_100000746061_200000210301 [1,1,0,0,0,0|2,0,0]=4 1463 B11R1.166 CC(=O)c1ccc(cc1O)F 271570a_203496583355_100000686192 [1,1,0,0,0,0|2,0,0]=4 1464 B11R1.166 CC(=O)c1ccc(cc1O)I 1458a_100000091984_200000210301 [1,1,0,0,0,0|2,0,0]=4 1465 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [1,1,0,0,0,0|2,0,0]=4 1466 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [1,1,0,0,0,0|2,0,0]=4 1467 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [1,1,0,0,0,0|2,0,0]=4 1468 B11R1.166 Cc1cc(ccc1C(=O)N)O 271570a_203496583355_100011327924 [1,1,0,0,0,0|2,0,0]=4 1469 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Br 1458a_100000741311_200025704644 [1,1,0,0,0,0|2,0,0]=4 1470 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [1,1,0,0,0,0|2,0,0]=4 1471 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])F 1458a_100000686989_200025704644 [1,1,0,0,0,0|2,0,0]=4 1472 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])I 1458a_100010189873_200025704644 [1,1,0,0,0,0|2,0,0]=4 1473 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [1,1,0,0,0,0|2,0,0]=4 1474 B11R1.166 Cc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000685072_200025704644 [1,1,0,0,0,0|1,0,0]=3 1475 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [1,1,0,0,0,0|1,0,0]=3 1476 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000766932_200025704644 [1,1,0,0,0,0|1,0,0]=3 1477 B11R1.166 Cc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000766033_200025704644 [1,1,0,0,0,0|1,0,0]=3 1478 B11R1.166 Cc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100009999607_200025704644 [1,1,0,0,0,0|1,0,0]=3 1479 B11R1.166 Cc1ccc(c(c1)O)B(O)O 271570a_203496583355_200011068827 [1,1,0,0,0,0|1,0,1]=4 1480 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [1,1,0,0,0,0|1,0,0]=3 1481 B11R1.166 Cc1ccc(c(n1)O)C(=O)N 271570a_203496583355_100000041523 [1,1,0,0,0,0|2,0,0]=4 1482 B11R1.166 NC(=O)c1ccc(cc1Br)O 271570a_203496583355_200010146565 [1,1,0,0,0,0|2,0,0]=4 1483 B11R1.166 NC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216903 [1,1,0,0,0,0|2,0,0]=4 1484 B11R1.166 NC(=O)c1ccc(cc1N)O 271570a_203496583355_100012349972 [1,1,0,0,0,0|2,0,0]=4 1485 B11R1.166 NC(=O)c1ccc(cc1O)Br 271570a_203496583355_100009815748 [1,1,0,0,0,0|2,0,0]=4 1486 B11R1.166 NC(=O)c1ccc(cc1O)F 271570a_203496583355_100000206404 [1,1,0,0,0,0|2,0,0]=4 1487 B11R1.166 NC(=O)c1ccc(cc1O)O 271570a_203496583355_100011550861 [1,1,0,0,0,0|2,0,0]=4 1488 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Br 1458a_100000762965_200025704644 [1,1,0,0,0,0|2,0,0]=4 1489 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200025704644 [1,1,0,0,0,0|2,0,0]=4 1490 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)F 1458a_100000212304_200025704644 [1,1,0,0,0,0|2,0,0]=4 1491 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)I 1458a_100012360512_200025704644 [1,1,0,0,0,0|2,0,0]=4 1492 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)O 1458a_100012344906_200025704644 [1,1,0,0,0,0|2,0,0]=4 1493 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200025704644 [1,1,0,0,0,0|2,0,0]=4 1494 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200025704644 [1,1,0,0,0,0|2,0,0]=4 1495 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)F 1458a_100000211397_200025704644 [1,1,0,0,0,0|2,0,0]=4 1496 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)I 1458a_100000751301_200025704644 [1,1,0,0,0,0|2,0,0]=4 1497 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)O 1458a_100000702456_200025704644 [1,1,0,0,0,0|2,0,0]=4 1498 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Br 1458a_100000214689_200025704644 [1,1,0,0,0,0|2,0,0]=4 1499 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Cl 1458a_100000212326_200025704644 [1,1,0,0,0,0|2,0,0]=4 1500 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)F 1458a_100000211022_200025704644 [1,1,0,0,0,0|2,0,0]=4 1501 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)I 1458a_100000037189_200025704644 [1,1,0,0,0,0|2,0,0]=4 1502 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)O 1458a_100000689029_200025704644 [1,1,0,0,0,0|2,0,0]=4 1503 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Br 1458a_100000751167_200025704644 [1,1,0,0,0,0|2,0,0]=4 1504 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Cl 1458a_100000739380_200025704644 [1,1,0,0,0,0|2,0,0]=4 1505 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)F 1458a_100000739341_200025704644 [1,1,0,0,0,0|2,0,0]=4 1506 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Br 1458a_100000744433_200025704644 [1,1,0,0,0,0|2,0,0]=4 1507 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Cl 1458a_100000188622_200025704644 [1,1,0,0,0,0|2,0,0]=4 1508 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)F 1458a_100000746061_200025704644 [1,1,0,0,0,0|2,0,0]=4 1509 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)I 1458a_100000091984_200025704644 [1,1,0,0,0,0|2,0,0]=4 1510 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [1,1,0,0,0,0|2,0,0]=4 1511 B11R1.124 CNCc1csc(c1)C(=O)C 2230a_106832991635_200000067479 [0,1,0,0,1,0|2,0,0]=4 1512 B11R1.124 CNCc1csc(c1)C(=O)C 34a_100102657272_200000067479 [0,1,0,0,1,0|2,0,0]=4 1513 B11R1.124 CNCc1csc(c1)C(=O)C 7a_106832991635_200000067479 [0,1,0,0,1,0|2,0,0]=4 1514 B13R1.5 C#CC(=O)Cc1ccc(cc1)CC 1458a_100000211873_100000747183 [0,1,0,0,0,1|2,0,0]=4 1515 B13R1.5 C#CC(=O)Cc1ccc(cc1)CO 1458a_100000211873_100000067286 [0,1,0,0,0,1|2,0,0]=4 1516 B13R1.5 C#Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000140223 [0,1,0,0,0,1|1,0,1]=4 1517 B13R1.5 C#Cc1ccc(cc1)NC(=O)CO 22a_100011215031_100000210174 [0,1,0,0,0,1|1,0,1]=4 1518 B13R1.5 C#Cc1ccc(cc1)NC(=O)CO 527a_100011215031_100000210174 [0,1,0,0,0,1|1,0,1]=4 1519 B13R1.5 C=CC(=O)Cc1ccc(cc1)CC 1458a_100000185746_100000747183 [0,1,0,0,0,1|2,0,0]=4 1520 B13R1.5 C=CC(=O)Cc1ccc(cc1)CO 1458a_100000185746_100000067286 [0,1,0,0,0,1|2,0,0]=4 1521 B13R1.5 C=CC(=O)Nc1ccc(cc1)CC 1626a_100000211069_100000185746 [0,1,0,0,0,1|2,0,0]=4 1522 B13R1.5 C=CC(=O)Nc1ccc(cc1)CC 22a_100000211069_100000185746 [0,1,0,0,0,1|2,0,0]=4 1523 B13R1.5 C=CC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000185746 [0,1,0,0,0,1|2,0,0]=4 1524 B13R1.5 C=Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000034074 [0,1,0,0,0,1|1,0,1]=4 1525 B13R1.5 C=Cc1ccc(cc1)CC(=O)OC 271570a_100011290941_100000149743 [0,1,0,0,0,1|1,0,1]=4 1526 B13R1.5 C=Cc1ccc(cc1)NC(=O)CO 22a_100011218248_100000210174 [0,1,0,0,0,1|1,0,1]=4 1527 B13R1.5 C=Cc1ccc(cc1)NC(=O)CO 527a_100011218248_100000210174 [0,1,0,0,0,1|1,0,1]=4 1528 B13R1.5 C=Cc1ccc(cc1)NC(=O)OC 271570a_100011290941_100000181880 [0,1,0,0,0,1|1,0,1]=4 1529 B13R1.5 CC(CO)Oc1ccc(cc1)CN 34a_100000185549_100012180447 [0,1,0,0,0,1|1,0,1]=4 1530 B13R1.5 CC(CO)Sc1ccc(cc1)CN 62a_100012180447_100016989417 [0,1,0,0,0,1|1,0,1]=4 1531 B13R1.5 CCC(=O)Cc1ccc(cc1)CC 1458a_100000210414_100000747183 [0,1,0,0,0,1|2,0,0]=4 1532 B13R1.5 CCC(=O)Cc1ccc(cc1)CC 1458a_200000759805_100000210202 [0,1,0,0,0,1|2,0,0]=4 1533 B13R1.5 CCC(=O)Cc1ccc(cc1)CO 1458a_100000210414_100000067286 [0,1,0,0,0,1|2,0,0]=4 1534 B13R1.5 CCC(=O)Cc1ccc(cc1)CO 1458a_100011356463_100000210202 [0,1,0,0,0,1|2,0,0]=4 1535 B13R1.5 CCC(=O)Nc1ccc(cc1)CC 11a_100000211069_100000210414 [0,1,0,0,0,1|2,0,0]=4 1536 B13R1.5 CCC(=O)Nc1ccc(cc1)CC 1626a_100000211069_100000210414 [0,1,0,0,0,1|2,0,0]=4 1537 B13R1.5 CCC(=O)Nc1ccc(cc1)CC 22a_100000211069_100000210414 [0,1,0,0,0,1|2,0,0]=4 1538 B13R1.5 CCC(=O)Nc1ccc(cc1)CC 527a_100000211069_100000210414 [0,1,0,0,0,1|2,0,0]=4 1539 B13R1.5 CCC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000210414 [0,1,0,0,0,1|2,0,0]=4 1540 B13R1.5 CCc1ccc(cc1)CC(=O)CF 1458a_200000759805_100015361967 [0,1,0,0,0,1|2,0,0]=4 1541 B13R1.5 CCc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000747183 [0,1,0,0,0,1|1,0,0]=3 1542 B13R1.5 CCc1ccc(cc1)CC(=O)NC 11a_106832991635_200000759805 [0,1,0,0,0,1|2,0,0]=4 1543 B13R1.5 CCc1ccc(cc1)CC(=O)NC 1626a_100102657272_200000759805 [0,1,0,0,0,1|2,0,0]=4 1544 B13R1.5 CCc1ccc(cc1)CC(=O)NC 240690a_100102657272_200000759805 [0,1,0,0,0,1|2,0,0]=4 1545 B13R1.5 CCc1ccc(cc1)CC(=O)NC 527a_100102657272_200000759805 [0,1,0,0,0,1|2,0,0]=4 1546 B13R1.5 CCc1ccc(cc1)NC(=O)CO 22a_100000211069_100000210174 [0,1,0,0,0,1|1,0,0]=3 1547 B13R1.5 CCc1ccc(cc1)NC(=O)CO 527a_100000211069_100000210174 [0,1,0,0,0,1|1,0,0]=3 1548 B13R1.5 CCc1ccc(cc1)NC(=O)NC 2430a_100000211069_100102657272 [0,1,0,0,0,1|2,0,0]=4 1549 B13R1.5 CNC(=O)Cc1ccc(cc1)CO 240690a_100102657272_100011356463 [0,1,0,0,0,1|2,0,0]=4 1550 B13R1.5 CNC(=O)Nc1ccc(cc1)CO 2430a_100011215238_100102657272 [0,1,0,0,0,1|2,0,0]=4 1551 B13R1.5 CNc1ccc(cc1)NC(=O)CO 34a_100011269904_200000210301 [0,1,0,0,0,1|2,0,0]=4 1552 B13R1.5 COC(=O)Cc1ccc(cc1)OC 34a_100000211648_200000210301 [0,1,0,0,0,1|2,0,0]=4 1553 B13R1.5 COC(=O)Cc1ccc(cc1)O[13CH3] 34a_100000211648_200025704644 [0,1,0,0,0,1|2,0,0]=4 1554 B13R1.5 COC(=O)Cc1ccc(cc1)SC 62a_100000149743_200000210301 [0,1,0,0,0,1|2,0,0]=4 1555 B13R1.5 COC(=O)Cc1ccc(cc1)SC 62a_200000210301_100000149743 [0,1,0,0,0,1|2,0,0]=4 1556 B13R1.5 COC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000149743_200025704644 [0,1,0,0,0,1|2,0,0]=4 1557 B13R1.5 COC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000149743 [0,1,0,0,0,1|2,0,0]=4 1558 B13R1.5 COC(=O)Nc1ccc(cc1)OC 34a_100011235918_200000210301 [0,1,0,0,0,1|2,0,0]=4 1559 B13R1.5 COC(=O)Nc1ccc(cc1)O[13CH3] 34a_100011235918_200025704644 [0,1,0,0,0,1|2,0,0]=4 1560 B13R1.5 COC(=O)Nc1ccc(cc1)SC 62a_200000210301_100000181880 [0,1,0,0,0,1|2,0,0]=4 1561 B13R1.5 COC(=O)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000181880 [0,1,0,0,0,1|2,0,0]=4 1562 B13R1.5 COC(C)Sc1ccc(cc1)CN 62a_100009879195_100016989417 [0,1,0,0,0,1|1,0,1]=4 1563 B13R1.5 COC(C)Sc1ccc(cc1)CN 62a_100016989417_100009879195 [0,1,0,0,0,1|1,0,1]=4 1564 B13R1.5 COc1ccc(cc1)NC(=O)CO 22a_100000184247_100000210174 [0,1,0,0,0,1|2,0,0]=4 1565 B13R1.5 COc1ccc(cc1)NC(=O)CO 527a_100000184247_100000210174 [0,1,0,0,0,1|2,0,0]=4 1566 B13R1.5 CSc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000181263 [0,1,0,0,0,1|2,0,0]=4 1567 B13R1.5 CSc1ccc(cc1)NC(=O)CO 22a_100000212337_100000210174 [0,1,0,0,0,1|2,0,0]=4 1568 B13R1.5 CSc1ccc(cc1)NC(=O)CO 527a_100000212337_100000210174 [0,1,0,0,0,1|2,0,0]=4 1569 B13R1.5 C[C@H](CO)Sc1ccc(cc1)CN 62a_100016084084_100016989417 [0,1,0,0,0,1|1,0,1]=4 1570 B13R1.5 C[C@H](CO)Sc1ccc(cc1)CN 62a_100016989417_100016084084 [0,1,0,0,0,1|1,0,1]=4 1571 B13R1.5 N#Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000184898 [0,1,0,0,0,1|0,0,2]=4 1572 B13R1.5 O=C(CF)Cc1ccc(cc1)CO 1458a_100011356463_100015361967 [0,1,0,0,0,1|2,0,0]=4 1573 B13R1.5 O=C(CO)Cc1ccc(cc1)CO 1458a_100000210174_100000067286 [0,1,0,0,0,1|1,0,0]=3 1574 B13R1.5 O=C(CO)Nc1ccc(cc1)CO 22a_100011215238_100000210174 [0,1,0,0,0,1|1,0,0]=3 1575 B13R1.5 O=Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000075337 [0,1,0,0,0,1|1,0,1]=4 1576 B13R1.5 [13CH3]Nc1ccc(cc1)NC(=O)CO 34a_100011269904_200025704644 [0,1,0,0,0,1|2,0,0]=4 1577 B13R1.35 CC(=Cc1ccc(c(c1)C)CN)C 271570a_100102525489_100000753881 [0,1,0,0,0,1|2,0,0]=4 1578 B13R1.35 CC(=Cc1ccc(c(c1)F)CN)C 271570a_100102525489_100000754580 [0,1,0,0,0,1|2,0,0]=4 1579 B13R1.35 CC(=O)Nc1ccc(c(c1)C)CO 22a_100000102464_100000070787 [0,1,0,0,0,1|2,0,0]=4 1580 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)CO 22a_100000689119_100000070787 [0,1,0,0,0,1|2,0,0]=4 1581 B13R1.35 CCc1ccc(cc1Cl)NC(=O)C 11a_100000766362_100015343762 [0,1,0,0,0,1|2,0,0]=4 1582 B13R1.35 CCc1ccc(cc1Cl)NC(=O)C 1626a_100000766362_100015343762 [0,1,0,0,0,1|2,0,0]=4 1583 B13R1.35 CCc1ccc(cc1Cl)NC(=O)C 22a_100000766362_100000070787 [0,1,0,0,0,1|2,0,0]=4 1584 B13R1.35 CCc1ccc(cc1Cl)NC(=O)C 527a_100000766362_100103153847 [0,1,0,0,0,1|2,0,0]=4 1585 B13R1.36 CC(=C(C)c1ccc(cc1)CN)C 271570a_200000049429_100016989417 [0,1,0,0,0,1|2,0,0]=4 1586 B13R1.142 CC(=Cc1ccc(cc1)CCN)C 271570a_100102525489_100000755846 [0,1,0,0,0,1|2,0,0]=4 1587 B13R1.142 CC(=Cc1ccc(cc1)CNN)C 271570a_100102525489_100016993955 [0,1,0,0,0,1|2,0,0]=4 1588 B13R1.142 CC(=O)Cc1ccc(cc1)OCF 34a_100011218180_100015361967 [0,1,0,0,0,1|2,0,0]=4 1589 B13R1.142 CC(=O)Cc1ccc(cc1)OCF 7a_100011218180_100015361967 [0,1,0,0,0,1|2,0,0]=4 1590 B13R1.142 CC(=O)Cc1ccc(cc1)SCF 62a_100000691760_100015361967 [0,1,0,0,0,1|2,0,0]=4 1591 B13R1.142 CC(=O)Cc1ccc(cc1)SCF 62a_100015361967_100000691760 [0,1,0,0,0,1|2,0,0]=4 1592 B13R1.142 CC(=O)Nc1ccc(cc1)CC#N 11a_100000198999_100015343762 [0,1,0,0,0,1|1,0,1]=4 1593 B13R1.142 CC(=O)Nc1ccc(cc1)CC#N 1626a_100000198999_100015343762 [0,1,0,0,0,1|1,0,1]=4 1594 B13R1.142 CC(=O)Nc1ccc(cc1)CC#N 22a_100000198999_100000070787 [0,1,0,0,0,1|1,0,1]=4 1595 B13R1.142 CC(=O)Nc1ccc(cc1)CC#N 527a_100000198999_100103153847 [0,1,0,0,0,1|1,0,1]=4 1596 B13R1.142 CC(=O)Nc1ccc(cc1)CCO 22a_100011204434_100000070787 [0,1,0,0,0,1|2,0,0]=4 1597 B13R1.142 CC(=O)Nc1ccc(cc1)CCO 527a_100011204434_100103153847 [0,1,0,0,0,1|2,0,0]=4 1598 B13R1.142 CC(=O)Nc1ccc(cc1)CN[13CH3] 34a_100000735448_200025704644 [0,1,0,0,0,1|1,0,0]=3 1599 B13R1.142 CC(=O)Nc1ccc(cc1)CO[13CH3] 34a_100000246270_200025704644 [0,1,0,0,0,1|2,0,0]=4 1600 B13R1.142 CC(=O)Nc1ccc(cc1)CO[13CH3] 7a_100000246270_200025704644 [0,1,0,0,0,1|2,0,0]=4 1601 B13R1.142 CC(=O)Nc1ccc(cc1)CS[13CH3] 62a_200025704644_100000731167 [0,1,0,0,0,1|2,0,0]=4 1602 B13R1.142 CC(=O)Nc1ccc(cc1)NCF 34a_100000184111_100015361967 [0,1,0,0,0,1|2,0,0]=4 1603 B13R1.142 CC(=O)Nc1ccc(cc1)OCF 34a_100000184395_100015361967 [0,1,0,0,0,1|2,0,0]=4 1604 B13R1.142 CC(=O)Nc1ccc(cc1)OCF 7a_100000184395_100015361967 [0,1,0,0,0,1|2,0,0]=4 1605 B13R1.142 CC(=O)Nc1ccc(cc1)SCF 62a_100015361967_100000155215 [0,1,0,0,0,1|2,0,0]=4 1606 B13R1.142 CC(=O)Oc1ccc(cc1)CS[13CH3] 62a_200025704644_100000033664 [0,1,0,0,0,1|2,0,0]=4 1607 B13R1.142 CC(=O)Oc1ccc(cc1)SCF 62a_100015361967_100000002173 [0,1,0,0,0,1|2,0,0]=4 1608 B13R1.142 CC(=O)Sc1ccc(cc1)SCF 62a_200009995050_100015361967 [0,1,0,0,0,1|2,0,0]=4 1609 B13R1.142 CCCc1ccc(cc1)CC(=O)C 1458a_100000070787_100011982809 [0,1,0,0,0,1|2,0,0]=4 1610 B13R1.142 CCCc1ccc(cc1)CC(=O)C 1458a_100000186164_200000210301 [0,1,0,0,0,1|2,0,0]=4 1611 B13R1.142 CCCc1ccc(cc1)CC(=O)[13CH3] 1458a_100000186164_200025704644 [0,1,0,0,0,1|2,0,0]=4 1612 B13R1.142 CCCc1ccc(cc1)NC(=O)C 11a_100000211780_100015343762 [0,1,0,0,0,1|2,0,0]=4 1613 B13R1.142 CCCc1ccc(cc1)NC(=O)C 1626a_100000211780_100015343762 [0,1,0,0,0,1|2,0,0]=4 1614 B13R1.142 CCCc1ccc(cc1)NC(=O)C 22a_100000211780_100000070787 [0,1,0,0,0,1|2,0,0]=4 1615 B13R1.142 CCCc1ccc(cc1)NC(=O)C 527a_100000211780_100103153847 [0,1,0,0,0,1|2,0,0]=4 1616 B13R1.142 CCNc1ccc(cc1)CC(=O)N 2230a_100000738315_100000210202 [0,1,0,0,0,1|2,0,0]=4 1617 B13R1.142 CCNc1ccc(cc1)CC(=O)N 34a_100000738315_100000210202 [0,1,0,0,0,1|2,0,0]=4 1618 B13R1.142 CCNc1ccc(cc1)NC(=O)C 34a_100000184111_100000210202 [0,1,0,0,0,1|2,0,0]=4 1619 B13R1.142 CCOc1ccc(cc1)CC(=O)C 1458a_100000183096_200000210301 [0,1,0,0,0,1|2,0,0]=4 1620 B13R1.142 CCOc1ccc(cc1)CC(=O)C 34a_100011218180_100000210202 [0,1,0,0,0,1|2,0,0]=4 1621 B13R1.142 CCOc1ccc(cc1)CC(=O)C 7a_100011218180_100000210202 [0,1,0,0,0,1|2,0,0]=4 1622 B13R1.142 CCOc1ccc(cc1)CC(=O)N 34a_100000020825_100000210202 [0,1,0,0,0,1|2,0,0]=4 1623 B13R1.142 CCOc1ccc(cc1)CC(=O)[13CH3] 1458a_100000183096_200025704644 [0,1,0,0,0,1|2,0,0]=4 1624 B13R1.142 CCOc1ccc(cc1)NC(=O)C 11a_100000739623_100015343762 [0,1,0,0,0,1|2,0,0]=4 1625 B13R1.142 CCOc1ccc(cc1)NC(=O)C 1626a_100000739623_100015343762 [0,1,0,0,0,1|2,0,0]=4 1626 B13R1.142 CCOc1ccc(cc1)NC(=O)C 22a_100000739623_100000070787 [0,1,0,0,0,1|2,0,0]=4 1627 B13R1.142 CCOc1ccc(cc1)NC(=O)C 34a_100000184395_100000210202 [0,1,0,0,0,1|2,0,0]=4 1628 B13R1.142 CCOc1ccc(cc1)NC(=O)C 527a_100000739623_100103153847 [0,1,0,0,0,1|2,0,0]=4 1629 B13R1.142 CCOc1ccc(cc1)NC(=O)C 7a_100000184395_100000210202 [0,1,0,0,0,1|2,0,0]=4 1630 B13R1.142 CCSc1ccc(cc1)CC(=O)C 62a_100000210202_100000691760 [0,1,0,0,0,1|2,0,0]=4 1631 B13R1.142 CCSc1ccc(cc1)CC(=O)C 62a_100000691760_100000210202 [0,1,0,0,0,1|2,0,0]=4 1632 B13R1.142 CCSc1ccc(cc1)CC(=O)N 62a_100000162331_100000210202 [0,1,0,0,0,1|2,0,0]=4 1633 B13R1.142 CCSc1ccc(cc1)CC(=O)N 62a_100000210202_100000162331 [0,1,0,0,0,1|2,0,0]=4 1634 B13R1.142 CCSc1ccc(cc1)NC(=O)C 11a_100015187087_100015343762 [0,1,0,0,0,1|2,0,0]=4 1635 B13R1.142 CCSc1ccc(cc1)NC(=O)C 1626a_100015187087_100015343762 [0,1,0,0,0,1|2,0,0]=4 1636 B13R1.142 CCSc1ccc(cc1)NC(=O)C 22a_100015187087_100000070787 [0,1,0,0,0,1|2,0,0]=4 1637 B13R1.142 CCSc1ccc(cc1)NC(=O)C 527a_100015187087_100103153847 [0,1,0,0,0,1|2,0,0]=4 1638 B13R1.142 CCSc1ccc(cc1)NC(=O)C 62a_100000210202_100000155215 [0,1,0,0,0,1|2,0,0]=4 1639 B13R1.142 CCSc1ccc(cc1)NC(=O)N 62a_100000210202_100000198584 [0,1,0,0,0,1|2,0,0]=4 1640 B13R1.142 CCSc1ccc(cc1)OC(=O)C 62a_100000210202_100000002173 [0,1,0,0,0,1|2,0,0]=4 1641 B13R1.142 CCSc1ccc(cc1)SC(=O)C 62a_200009995050_100000210202 [0,1,0,0,0,1|2,0,0]=4 1642 B13R1.142 CNCc1ccc(cc1)C=C(C)C 271570a_100102525489_100000180866 [0,1,0,0,0,1|2,0,0]=4 1643 B13R1.142 CNCc1ccc(cc1)CC(=O)O 269956a_100016989728_200000210301 [0,1,0,0,0,1|0,0,0]=2 1644 B13R1.142 CNCc1ccc(cc1)NC(=O)C 207a_100102657272_100000210072 [0,1,0,0,0,1|1,0,0]=3 1645 B13R1.142 CNCc1ccc(cc1)NC(=O)C 2230a_106832991635_100000731167 [0,1,0,0,0,1|1,0,0]=3 1646 B13R1.142 CNCc1ccc(cc1)NC(=O)C 34a_100000735448_200000210301 [0,1,0,0,0,1|1,0,0]=3 1647 B13R1.142 CNCc1ccc(cc1)NC(=O)C 34a_100102657272_100000731167 [0,1,0,0,0,1|1,0,0]=3 1648 B13R1.142 CNCc1ccc(cc1)NC(=O)C 7a_106832991635_100000731167 [0,1,0,0,0,1|1,0,0]=3 1649 B13R1.142 CNCc1ccc(cc1)OC(=O)C 207a_100102657272_100000014718 [0,1,0,0,0,1|1,0,0]=3 1650 B13R1.142 CNCc1ccc(cc1)OC(=O)C 2230a_106832991635_100000033664 [0,1,0,0,0,1|1,0,0]=3 1651 B13R1.142 CNCc1ccc(cc1)OC(=O)C 270004a_106832991635_100000014718 [0,1,0,0,0,1|1,0,0]=3 1652 B13R1.142 CNCc1ccc(cc1)OC(=O)C 7a_106832991635_100000033664 [0,1,0,0,0,1|1,0,0]=3 1653 B13R1.142 COCc1ccc(cc1)CC(=O)C 1458a_100011290826_200000210301 [0,1,0,0,0,1|2,0,0]=4 1654 B13R1.142 COCc1ccc(cc1)CC(=O)[13CH3] 1458a_100011290826_200025704644 [0,1,0,0,0,1|2,0,0]=4 1655 B13R1.142 COCc1ccc(cc1)NC(=O)C 11a_100000694113_100015343762 [0,1,0,0,0,1|2,0,0]=4 1656 B13R1.142 COCc1ccc(cc1)NC(=O)C 1626a_100000694113_100015343762 [0,1,0,0,0,1|2,0,0]=4 1657 B13R1.142 COCc1ccc(cc1)NC(=O)C 22a_100000694113_100000070787 [0,1,0,0,0,1|2,0,0]=4 1658 B13R1.142 COCc1ccc(cc1)NC(=O)C 34a_100000246270_200000210301 [0,1,0,0,0,1|2,0,0]=4 1659 B13R1.142 COCc1ccc(cc1)NC(=O)C 34a_100138415774_100000731167 [0,1,0,0,0,1|2,0,0]=4 1660 B13R1.142 COCc1ccc(cc1)NC(=O)C 527a_100000694113_100103153847 [0,1,0,0,0,1|2,0,0]=4 1661 B13R1.142 COCc1ccc(cc1)NC(=O)C 7a_100000246270_200000210301 [0,1,0,0,0,1|2,0,0]=4 1662 B13R1.142 CSCc1ccc(cc1)NC(=O)C 11a_106726388226_100015343762 [0,1,0,0,0,1|2,0,0]=4 1663 B13R1.142 CSCc1ccc(cc1)NC(=O)C 1626a_106726388226_100015343762 [0,1,0,0,0,1|2,0,0]=4 1664 B13R1.142 CSCc1ccc(cc1)NC(=O)C 22a_106726388226_100000070787 [0,1,0,0,0,1|2,0,0]=4 1665 B13R1.142 CSCc1ccc(cc1)NC(=O)C 527a_106726388226_100103153847 [0,1,0,0,0,1|2,0,0]=4 1666 B13R1.142 CSCc1ccc(cc1)NC(=O)C 62a_200000210301_100000731167 [0,1,0,0,0,1|2,0,0]=4 1667 B13R1.142 CSCc1ccc(cc1)OC(=O)C 62a_200000210301_100000033664 [0,1,0,0,0,1|2,0,0]=4 1668 B13R1.142 NC(=O)Cc1ccc(cc1)NCF 34a_100000738315_100015361967 [0,1,0,0,0,1|2,0,0]=4 1669 B13R1.142 NC(=O)Cc1ccc(cc1)OCF 34a_100000020825_100015361967 [0,1,0,0,0,1|2,0,0]=4 1670 B13R1.142 NC(=O)Cc1ccc(cc1)SCF 62a_100000162331_100015361967 [0,1,0,0,0,1|2,0,0]=4 1671 B13R1.142 NC(=O)Cc1ccc(cc1)SCF 62a_100015361967_100000162331 [0,1,0,0,0,1|2,0,0]=4 1672 B13R1.142 NC(=O)Nc1ccc(cc1)SCF 62a_100015361967_100000198584 [0,1,0,0,0,1|2,0,0]=4 1673 B13R1.142 [13CH3]NCc1ccc(cc1)CC(=O)O 269956a_100016989728_200025704644 [0,1,0,0,0,1|0,0,0]=2 1674 B13R1.585 CC(=Cc1ccc(cc1)[C@@H](C)N)C 271570a_100102525489_100000720352 [0,1,0,0,0,1|2,0,0]=4 1675 B13R1.585 CC(=Cc1ccc(cc1)[C@H](C)N)C 271570a_100102525489_100000753911 [0,1,0,0,0,1|2,0,0]=4 1676 B13R1.585 CC(=O)Cc1ccc(cc1)C(=O)N 1458a_100000070787_100000231043 [0,1,0,0,0,1|1,0,1]=4 1677 B13R1.585 CC(=O)Cc1ccc(cc1)C(C)C 1458a_100000070787_100000181262 [0,1,0,0,0,1|2,0,0]=4 1678 B13R1.585 CC(=O)Cc1ccc(cc1)C(C)C 1458a_100000689720_200000210301 [0,1,0,0,0,1|2,0,0]=4 1679 B13R1.585 CC(=O)Cc1ccc(cc1)C(F)F 1458a_100000070787_200012343607 [0,1,0,0,0,1|2,0,0]=4 1680 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)N 11a_100000210537_100015343762 [0,1,0,0,0,1|1,0,1]=4 1681 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)N 1626a_100000210537_100015343762 [0,1,0,0,0,1|1,0,1]=4 1682 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)N 22a_100000210537_100000070787 [0,1,0,0,0,1|1,0,1]=4 1683 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)N 527a_100000210537_100103153847 [0,1,0,0,0,1|1,0,1]=4 1684 B13R1.585 CC(=O)Nc1ccc(cc1)C(=S)N 1626a_100000739662_100015343762 [0,1,0,0,0,1|1,0,1]=4 1685 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)C 11a_100000210773_100015343762 [0,1,0,0,0,1|2,0,0]=4 1686 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)C 1626a_100000210773_100015343762 [0,1,0,0,0,1|2,0,0]=4 1687 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)C 22a_100000210773_100000070787 [0,1,0,0,0,1|2,0,0]=4 1688 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)C 527a_100000210773_100103153847 [0,1,0,0,0,1|2,0,0]=4 1689 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)O 22a_100011216399_100000070787 [0,1,0,0,0,1|2,0,0]=4 1690 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)O 527a_100011216399_100103153847 [0,1,0,0,0,1|2,0,0]=4 1691 B13R1.585 CC(=O)Nc1ccc(cc1)C(F)F 11a_100020620101_100015343762 [0,1,0,0,0,1|2,0,0]=4 1692 B13R1.585 CC(=O)Nc1ccc(cc1)C(F)F 1626a_100020620101_100015343762 [0,1,0,0,0,1|2,0,0]=4 1693 B13R1.585 CC(=O)Nc1ccc(cc1)C(F)F 22a_100020620101_100000070787 [0,1,0,0,0,1|2,0,0]=4 1694 B13R1.585 CC(=O)Nc1ccc(cc1)C(F)F 527a_100020620101_100103153847 [0,1,0,0,0,1|2,0,0]=4 1695 B13R1.585 CC(C)c1ccc(cc1)CC(=O)[13CH3] 1458a_100000689720_200025704644 [0,1,0,0,0,1|2,0,0]=4 1696 B13R1.653 CC(=Cc1ccc(cc1C)CN)C 271570a_100102525489_100015205234 [0,1,0,0,0,1|2,0,0]=4 1697 B13R1.653 CC(=Cc1ccc(cc1F)CN)C 271570a_100102525489_100000755036 [0,1,0,0,0,1|2,0,0]=4 1698 B13R1.653 CC(=O)Nc1ccc(cc1C)CO 22a_200011997030_100000070787 [0,1,0,0,0,1|2,0,0]=4 1699 B13R1.653 CCc1ccc(c(c1)Br)NC(=O)C 11a_100012339725_100015343762 [0,1,0,0,0,1|2,0,0]=4 1700 B13R1.653 CCc1ccc(c(c1)Br)NC(=O)C 1626a_100012339725_100015343762 [0,1,0,0,0,1|2,0,0]=4 1701 B13R1.653 CCc1ccc(c(c1)Br)NC(=O)C 527a_100012339725_100103153847 [0,1,0,0,0,1|2,0,0]=4 1702 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 11a_100011226020_100015343762 [0,1,0,0,0,1|2,0,0]=4 1703 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 1626a_100011226020_100015343762 [0,1,0,0,0,1|2,0,0]=4 1704 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 22a_100011226020_100000070787 [0,1,0,0,0,1|2,0,0]=4 1705 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 527a_100011226020_100103153847 [0,1,0,0,0,1|2,0,0]=4 1706 B13R1.653 CCc1ccc(c(c1)F)NC(=O)C 11a_100016177294_100015343762 [0,1,0,0,0,1|2,0,0]=4 1707 B13R1.653 CCc1ccc(c(c1)F)NC(=O)C 1626a_100016177294_100015343762 [0,1,0,0,0,1|2,0,0]=4 1708 B13R1.653 CCc1ccc(c(c1)F)NC(=O)C 22a_100016177294_100000070787 [0,1,0,0,0,1|2,0,0]=4 1709 B13R1.653 CCc1ccc(c(c1)F)NC(=O)C 527a_100016177294_100103153847 [0,1,0,0,0,1|2,0,0]=4 1710 B13R1.653 CCc1ccc(c(c1)O)NC(=O)C 22a_100000124328_100000070787 [0,1,0,0,0,1|2,0,0]=4 1711 B13R1.653 CCc1ccc(c(c1)O)NC(=O)C 527a_100000124328_100103153847 [0,1,0,0,0,1|2,0,0]=4 1712 B13R1.95 C=Cc1ccc(c(c1)Br)C(=O)OC 271570a_100011290941_100010247156 [0,2,0,0,0,0|1,0,1]=4 1713 B13R1.95 C=Cc1ccc(c(c1)C)C(=O)OC 271570a_100011290941_100000747612 [0,2,0,0,0,0|1,0,1]=4 1714 B13R1.95 C=Cc1ccc(c(c1)Cl)C(=O)OC 271570a_100011290941_100000060724 [0,2,0,0,0,0|1,0,1]=4 1715 B13R1.95 C=Cc1ccc(c(c1)F)C(=O)OC 271570a_100011290941_100000216654 [0,2,0,0,0,0|1,0,1]=4 1716 B13R1.95 C=Cc1ccc(c(c1)N)C(=O)OC 271570a_100011290941_100011373473 [0,2,0,0,0,0|1,0,1]=4 1717 B13R1.95 C=Cc1ccc(c(c1)O)C(=O)OC 271570a_100011290941_100000062286 [0,2,0,0,0,0|1,0,1]=4 1718 B13R1.95 CCC(=O)c1ccc(cc1Cl)CO 1458a_100015659073_100000210202 [0,2,0,0,0,0|2,0,0]=4 1719 B13R1.95 CCC(=O)c1ccc(cc1F)CC 1458a_200009867912_100000210202 [0,2,0,0,0,0|2,0,0]=4 1720 B13R1.95 CCC(=O)c1ccc(cc1F)CO 1458a_100011934814_100000210202 [0,2,0,0,0,0|2,0,0]=4 1721 B13R1.95 CCc1ccc(c(c1)F)C(=O)CF 1458a_200009867912_100015361967 [0,2,0,0,0,0|2,0,0]=4 1722 B13R1.95 CCc1ccc(c(c1)F)C(=O)NC 11a_106832991635_200009867912 [0,2,0,0,0,0|2,0,0]=4 1723 B13R1.95 CCc1ccc(c(c1)F)C(=O)NC 1626a_100102657272_200009867912 [0,2,0,0,0,0|2,0,0]=4 1724 B13R1.95 CCc1ccc(c(c1)F)C(=O)NC 240690a_100102657272_200009867912 [0,2,0,0,0,0|2,0,0]=4 1725 B13R1.95 CCc1ccc(c(c1)F)C(=O)NC 527a_100102657272_200009867912 [0,2,0,0,0,0|2,0,0]=4 1726 B13R1.95 CNC(=O)c1ccc(cc1Cl)CO 240690a_100102657272_100015659073 [0,2,0,0,0,0|2,0,0]=4 1727 B13R1.95 CNC(=O)c1ccc(cc1F)CO 240690a_100102657272_100011934814 [0,2,0,0,0,0|2,0,0]=4 1728 B13R1.95 COC(=O)c1ccc(cc1Br)OC 34a_100010150825_200000210301 [0,2,0,0,0,0|2,0,0]=4 1729 B13R1.95 COC(=O)c1ccc(cc1Br)OC 7a_100010150825_200000210301 [0,2,0,0,0,0|2,0,0]=4 1730 B13R1.95 COC(=O)c1ccc(cc1Br)O[13CH3] 34a_100010150825_200025704644 [0,2,0,0,0,0|2,0,0]=4 1731 B13R1.95 COC(=O)c1ccc(cc1Br)O[13CH3] 7a_100010150825_200025704644 [0,2,0,0,0,0|2,0,0]=4 1732 B13R1.95 COC(=O)c1ccc(cc1Br)SC 62a_100010247156_200000210301 [0,2,0,0,0,0|2,0,0]=4 1733 B13R1.95 COC(=O)c1ccc(cc1Br)SC 62a_200000210301_100010247156 [0,2,0,0,0,0|2,0,0]=4 1734 B13R1.95 COC(=O)c1ccc(cc1Br)S[13CH3] 62a_100010247156_200025704644 [0,2,0,0,0,0|2,0,0]=4 1735 B13R1.95 COC(=O)c1ccc(cc1Br)S[13CH3] 62a_200025704644_100010247156 [0,2,0,0,0,0|2,0,0]=4 1736 B13R1.95 COC(=O)c1ccc(cc1C)OC 34a_100012000157_200000210301 [0,2,0,0,0,0|2,0,0]=4 1737 B13R1.95 COC(=O)c1ccc(cc1C)OC 7a_100012000157_200000210301 [0,2,0,0,0,0|2,0,0]=4 1738 B13R1.95 COC(=O)c1ccc(cc1C)O[13CH3] 34a_100012000157_200025704644 [0,2,0,0,0,0|2,0,0]=4 1739 B13R1.95 COC(=O)c1ccc(cc1C)O[13CH3] 7a_100012000157_200025704644 [0,2,0,0,0,0|2,0,0]=4 1740 B13R1.95 COC(=O)c1ccc(cc1C)SC 62a_100000747612_200000210301 [0,2,0,0,0,0|2,0,0]=4 1741 B13R1.95 COC(=O)c1ccc(cc1C)SC 62a_200000210301_100000747612 [0,2,0,0,0,0|2,0,0]=4 1742 B13R1.95 COC(=O)c1ccc(cc1C)S[13CH3] 62a_100000747612_200025704644 [0,2,0,0,0,0|2,0,0]=4 1743 B13R1.95 COC(=O)c1ccc(cc1C)S[13CH3] 62a_200025704644_100000747612 [0,2,0,0,0,0|2,0,0]=4 1744 B13R1.95 COC(=O)c1ccc(cc1Cl)OC 34a_100000081488_200000210301 [0,2,0,0,0,0|2,0,0]=4 1745 B13R1.95 COC(=O)c1ccc(cc1Cl)OC 7a_100000081488_200000210301 [0,2,0,0,0,0|2,0,0]=4 1746 B13R1.95 COC(=O)c1ccc(cc1Cl)O[13CH3] 34a_100000081488_200025704644 [0,2,0,0,0,0|2,0,0]=4 1747 B13R1.95 COC(=O)c1ccc(cc1Cl)O[13CH3] 7a_100000081488_200025704644 [0,2,0,0,0,0|2,0,0]=4 1748 B13R1.95 COC(=O)c1ccc(cc1Cl)SC 62a_100000060724_200000210301 [0,2,0,0,0,0|2,0,0]=4 1749 B13R1.95 COC(=O)c1ccc(cc1Cl)SC 62a_200000210301_100000060724 [0,2,0,0,0,0|2,0,0]=4 1750 B13R1.95 COC(=O)c1ccc(cc1Cl)S[13CH3] 62a_100000060724_200025704644 [0,2,0,0,0,0|2,0,0]=4 1751 B13R1.95 COC(=O)c1ccc(cc1Cl)S[13CH3] 62a_200025704644_100000060724 [0,2,0,0,0,0|2,0,0]=4 1752 B13R1.95 COC(=O)c1ccc(cc1F)OC 34a_100011999631_200000210301 [0,2,0,0,0,0|2,0,0]=4 1753 B13R1.95 COC(=O)c1ccc(cc1F)OC 7a_100011999631_200000210301 [0,2,0,0,0,0|2,0,0]=4 1754 B13R1.95 COC(=O)c1ccc(cc1F)O[13CH3] 34a_100011999631_200025704644 [0,2,0,0,0,0|2,0,0]=4 1755 B13R1.95 COC(=O)c1ccc(cc1F)O[13CH3] 7a_100011999631_200025704644 [0,2,0,0,0,0|2,0,0]=4 1756 B13R1.95 COC(=O)c1ccc(cc1F)SC 62a_100000216654_200000210301 [0,2,0,0,0,0|2,0,0]=4 1757 B13R1.95 COC(=O)c1ccc(cc1F)SC 62a_200000210301_100000216654 [0,2,0,0,0,0|2,0,0]=4 1758 B13R1.95 COC(=O)c1ccc(cc1F)S[13CH3] 62a_100000216654_200025704644 [0,2,0,0,0,0|2,0,0]=4 1759 B13R1.95 COC(=O)c1ccc(cc1F)S[13CH3] 62a_200025704644_100000216654 [0,2,0,0,0,0|2,0,0]=4 1760 B13R1.95 COC(=O)c1ccc(cc1N)OC 34a_100000701581_200000210301 [0,2,0,0,0,0|2,0,0]=4 1761 B13R1.95 COC(=O)c1ccc(cc1N)OC 7a_100000701581_200000210301 [0,2,0,0,0,0|2,0,0]=4 1762 B13R1.95 COC(=O)c1ccc(cc1N)O[13CH3] 34a_100000701581_200025704644 [0,2,0,0,0,0|2,0,0]=4 1763 B13R1.95 COC(=O)c1ccc(cc1N)O[13CH3] 7a_100000701581_200025704644 [0,2,0,0,0,0|2,0,0]=4 1764 B13R1.95 COC(=O)c1ccc(cc1N)SC 62a_100011373473_200000210301 [0,2,0,0,0,0|2,0,0]=4 1765 B13R1.95 COC(=O)c1ccc(cc1N)S[13CH3] 62a_100011373473_200025704644 [0,2,0,0,0,0|2,0,0]=4 1766 B13R1.95 COC(=O)c1ccc(cc1O)C#N 271570a_203496583355_100009832033 [0,2,0,0,0,0|0,0,2]=4 1767 B13R1.95 COC(=O)c1ccc(cc1O)C=O 271570a_203496583355_100010630601 [0,2,0,0,0,0|1,0,1]=4 1768 B13R1.95 COC(=O)c1ccc(cc1O)OC 271570a_203496583355_100009815674 [0,2,0,0,0,0|2,0,0]=4 1769 B13R1.95 COC(=O)c1ccc(cc1O)SC 62a_200000210301_100000062286 [0,2,0,0,0,0|2,0,0]=4 1770 B13R1.95 COC(=O)c1ccc(cc1O)S[13CH3] 62a_200025704644_100000062286 [0,2,0,0,0,0|2,0,0]=4 1771 B13R1.95 O=C(CF)c1ccc(cc1Cl)CO 1458a_100015659073_100015361967 [0,2,0,0,0,0|2,0,0]=4 1772 B13R1.95 O=C(CF)c1ccc(cc1F)CO 1458a_100011934814_100015361967 [0,2,0,0,0,0|2,0,0]=4 1773 B13R1.139 C=C=Cc1ccc(cc1)C(=O)CO 271570a_100015277604_100011219529 [0,2,0,0,0,0|1,0,1]=4 1774 B13R1.139 C=C=Cc1ccc(cc1)C(=O)OC 271570a_100015277604_100000150774 [0,2,0,0,0,0|1,0,1]=4 1775 B13R1.139 CC(=NO)c1ccc(cc1)OCF 34a_100000164205_100015361967 [0,2,0,0,0,0|2,0,0]=4 1776 B13R1.139 CC=Cc1ccc(cc1)C(=O)CO 271570a_100016259895_100011219529 [0,2,0,0,0,0|1,0,1]=4 1777 B13R1.139 CC=Cc1ccc(cc1)C(=O)OC 271570a_100016259895_100000150774 [0,2,0,0,0,0|1,0,1]=4 1778 B13R1.139 CCC(=O)c1ccc(cc1)CC#N 1458a_100000693995_100000210202 [0,2,0,0,0,0|1,0,1]=4 1779 B13R1.139 CCC(=O)c1ccc(cc1)CCO 1458a_100000078963_100000210202 [0,2,0,0,0,0|2,0,0]=4 1780 B13R1.139 CCC(=O)c1ccc(cc1)CNC 26a_100102657272_100000212119 [0,2,0,0,0,0|1,0,0]=3 1781 B13R1.139 CCC(=O)c1ccc(cc1)COC 1458a_100000189608_100000210202 [0,2,0,0,0,0|2,0,0]=4 1782 B13R1.139 CCC(=O)c1ccc(cc1)CSC 1458a_100000175442_100000210202 [0,2,0,0,0,0|2,0,0]=4 1783 B13R1.139 CCC(=O)c1ccc(cc1)OCF 34a_100000212119_100015361967 [0,2,0,0,0,0|2,0,0]=4 1784 B13R1.139 CCC(=O)c1ccc(cc1)OCF 7a_100000212119_100015361967 [0,2,0,0,0,0|2,0,0]=4 1785 B13R1.139 CCC(=O)c1ccc(cc1)SCF 62a_100000211647_100015361967 [0,2,0,0,0,0|2,0,0]=4 1786 B13R1.139 CCC(=O)c1ccc(cc1)SCF 62a_100015361967_100000211647 [0,2,0,0,0,0|2,0,0]=4 1787 B13R1.139 CCCc1ccc(cc1)C(=O)CC 1458a_100011207308_100000210202 [0,2,0,0,0,0|2,0,0]=4 1788 B13R1.139 CCCc1ccc(cc1)C(=O)CF 1458a_100011207308_100015361967 [0,2,0,0,0,0|2,0,0]=4 1789 B13R1.139 CCCc1ccc(cc1)C(=O)NC 11a_106832991635_100011207308 [0,2,0,0,0,0|2,0,0]=4 1790 B13R1.139 CCCc1ccc(cc1)C(=O)NC 1626a_100102657272_100011207308 [0,2,0,0,0,0|2,0,0]=4 1791 B13R1.139 CCCc1ccc(cc1)C(=O)NC 240690a_100102657272_100011207308 [0,2,0,0,0,0|2,0,0]=4 1792 B13R1.139 CCCc1ccc(cc1)C(=O)NC 527a_100102657272_100011207308 [0,2,0,0,0,0|2,0,0]=4 1793 B13R1.139 CCNc1ccc(cc1)C(=O)NC 2230a_100000184841_100000210202 [0,2,0,0,0,0|2,0,0]=4 1794 B13R1.139 CCNc1ccc(cc1)C(=O)NC 27a_100015525214_100000155074 [0,2,0,0,0,0|2,0,0]=4 1795 B13R1.139 CCNc1ccc(cc1)C(=O)NC 34a_100000184841_100000210202 [0,2,0,0,0,0|2,0,0]=4 1796 B13R1.139 CCNc1ccc(cc1)C(=O)NN 27a_100015525214_100000183614 [0,2,0,0,0,0|2,0,0]=4 1797 B13R1.139 CCNc1ccc(cn1)C(=O)OC 27a_100015525214_100000733799 [0,2,0,0,0,0|2,0,0]=4 1798 B13R1.139 CCOc1ccc(cc1)C(=NO)C 34a_100000164205_100000210202 [0,2,0,0,0,0|2,0,0]=4 1799 B13R1.139 CCOc1ccc(cc1)C(=NO)N 34a_100000231063_100000210202 [0,2,0,0,0,0|2,0,0]=4 1800 B13R1.139 CCOc1ccc(cc1)C(=O)CBr 7a_100009814261_100000210202 [0,2,0,0,0,0|2,0,0]=4 1801 B13R1.139 CCOc1ccc(cc1)C(=O)CC 1458a_100000181891_100000210202 [0,2,0,0,0,0|2,0,0]=4 1802 B13R1.139 CCOc1ccc(cc1)C(=O)CC 34a_100000212119_100000210202 [0,2,0,0,0,0|2,0,0]=4 1803 B13R1.139 CCOc1ccc(cc1)C(=O)CC 7a_100000212119_100000210202 [0,2,0,0,0,0|2,0,0]=4 1804 B13R1.139 CCOc1ccc(cc1)C(=O)CCl 7a_100000018856_100000210202 [0,2,0,0,0,0|2,0,0]=4 1805 B13R1.139 CCOc1ccc(cc1)C(=O)CF 1458a_100000181891_100015361967 [0,2,0,0,0,0|2,0,0]=4 1806 B13R1.139 CCOc1ccc(cc1)C(=O)CF 34a_200010654591_100000210202 [0,2,0,0,0,0|2,0,0]=4 1807 B13R1.139 CCOc1ccc(cc1)C(=O)CF 7a_200010654591_100000210202 [0,2,0,0,0,0|2,0,0]=4 1808 B13R1.139 CCOc1ccc(cc1)C(=O)NC 11a_106832991635_100000181891 [0,2,0,0,0,0|2,0,0]=4 1809 B13R1.139 CCOc1ccc(cc1)C(=O)NC 1626a_100102657272_100000181891 [0,2,0,0,0,0|2,0,0]=4 1810 B13R1.139 CCOc1ccc(cc1)C(=O)NC 240690a_100102657272_100000181891 [0,2,0,0,0,0|2,0,0]=4 1811 B13R1.139 CCOc1ccc(cc1)C(=O)NC 34a_100000192141_100000210202 [0,2,0,0,0,0|2,0,0]=4 1812 B13R1.139 CCOc1ccc(cc1)C(=O)NC 527a_100102657272_100000181891 [0,2,0,0,0,0|2,0,0]=4 1813 B13R1.139 CCOc1ccc(cc1)C(=O)NC 7a_100000192141_100000210202 [0,2,0,0,0,0|2,0,0]=4 1814 B13R1.139 CCOc1ccc(cc1)C(=O)NN 34a_100000185078_100000210202 [0,2,0,0,0,0|2,0,0]=4 1815 B13R1.139 CCOc1ccc(cc1)C(=O)OC 34a_100000150123_100000210202 [0,2,0,0,0,0|1,0,0]=3 1816 B13R1.139 CCOc1ccc(cc1)C(=O)OC 7a_100000150123_100000210202 [0,2,0,0,0,0|1,0,0]=3 1817 B13R1.139 CCOc1ccc(nc1)C(=O)OC 34a_100011997255_100000210202 [0,2,0,0,0,0|2,0,0]=4 1818 B13R1.139 CCOc1ccc(nc1)C(=O)OC 7a_100011997255_100000210202 [0,2,0,0,0,0|2,0,0]=4 1819 B13R1.139 CCSc1ccc(cc1)C(=O)C#N 62a_100000210202_100009994572 [0,2,0,0,0,0|2,0,0]=4 1820 B13R1.139 CCSc1ccc(cc1)C(=O)C=O 62a_100000210202_100000725942 [0,2,0,0,0,0|1,0,1]=4 1821 B13R1.139 CCSc1ccc(cc1)C(=O)C=O 62a_100000725942_100000210202 [0,2,0,0,0,0|1,0,1]=4 1822 B13R1.139 CCSc1ccc(cc1)C(=O)CC 1458a_100000244969_100000210202 [0,2,0,0,0,0|2,0,0]=4 1823 B13R1.139 CCSc1ccc(cc1)C(=O)CC 62a_100000210202_100000211647 [0,2,0,0,0,0|2,0,0]=4 1824 B13R1.139 CCSc1ccc(cc1)C(=O)CC 62a_100000211647_100000210202 [0,2,0,0,0,0|2,0,0]=4 1825 B13R1.139 CCSc1ccc(cc1)C(=O)CF 1458a_100000244969_100015361967 [0,2,0,0,0,0|2,0,0]=4 1826 B13R1.139 CCSc1ccc(cc1)C(=O)CN 62a_100000017248_100000210202 [0,2,0,0,0,0|2,0,0]=4 1827 B13R1.139 CCSc1ccc(cc1)C(=O)CN 62a_100000210202_100000017248 [0,2,0,0,0,0|2,0,0]=4 1828 B13R1.139 CCSc1ccc(cc1)C(=O)CO 62a_100000210202_100011219529 [0,2,0,0,0,0|1,0,0]=3 1829 B13R1.139 CCSc1ccc(cc1)C(=O)CO 62a_100011219529_100000210202 [0,2,0,0,0,0|1,0,0]=3 1830 B13R1.139 CCSc1ccc(cc1)C(=O)NC 11a_106832991635_100000244969 [0,2,0,0,0,0|2,0,0]=4 1831 B13R1.139 CCSc1ccc(cc1)C(=O)NC 1626a_100102657272_100000244969 [0,2,0,0,0,0|2,0,0]=4 1832 B13R1.139 CCSc1ccc(cc1)C(=O)NC 240690a_100102657272_100000244969 [0,2,0,0,0,0|2,0,0]=4 1833 B13R1.139 CCSc1ccc(cc1)C(=O)NC 527a_100102657272_100000244969 [0,2,0,0,0,0|2,0,0]=4 1834 B13R1.139 CCSc1ccc(cc1)C(=O)NC 62a_100000155074_100000210202 [0,2,0,0,0,0|2,0,0]=4 1835 B13R1.139 CCSc1ccc(cc1)C(=O)NC 62a_100000210202_100000155074 [0,2,0,0,0,0|2,0,0]=4 1836 B13R1.139 CCSc1ccc(cc1)C(=O)NN 62a_100000183614_100000210202 [0,2,0,0,0,0|2,0,0]=4 1837 B13R1.139 CCSc1ccc(cc1)C(=O)NN 62a_100000210202_100000183614 [0,2,0,0,0,0|2,0,0]=4 1838 B13R1.139 CCSc1ccc(cc1)C(=O)OC 62a_100000150774_100000210202 [0,2,0,0,0,0|1,0,0]=3 1839 B13R1.139 CCSc1ccc(cc1)C(=O)OC 62a_100000210202_100000150774 [0,2,0,0,0,0|1,0,0]=3 1840 B13R1.139 CCSc1ccc(cn1)C(=O)OC 62a_100000210202_100000733799 [0,2,0,0,0,0|2,0,0]=4 1841 B13R1.139 CCSc1ccc(cn1)C(=O)OC 62a_100000733799_100000210202 [0,2,0,0,0,0|2,0,0]=4 1842 B13R1.139 CCSc1ccc(nc1)C(=O)OC 62a_100000210202_100102712061 [0,2,0,0,0,0|2,0,0]=4 1843 B13R1.139 CCSc1ccc(nc1)C(=O)OC 62a_100102712061_100000210202 [0,2,0,0,0,0|2,0,0]=4 1844 B13R1.139 CNC(=O)c1ccc(cc1)CC#N 11a_106832991635_100000693995 [0,2,0,0,0,0|1,0,1]=4 1845 B13R1.139 CNC(=O)c1ccc(cc1)CC#N 1626a_100102657272_100000693995 [0,2,0,0,0,0|1,0,1]=4 1846 B13R1.139 CNC(=O)c1ccc(cc1)CC#N 240690a_100102657272_100000693995 [0,2,0,0,0,0|1,0,1]=4 1847 B13R1.139 CNC(=O)c1ccc(cc1)CC#N 527a_100102657272_100000693995 [0,2,0,0,0,0|1,0,1]=4 1848 B13R1.139 CNC(=O)c1ccc(cc1)CCO 1626a_100102657272_100000078963 [0,2,0,0,0,0|2,0,0]=4 1849 B13R1.139 CNC(=O)c1ccc(cc1)CCO 240690a_100102657272_100000078963 [0,2,0,0,0,0|2,0,0]=4 1850 B13R1.139 CNC(=O)c1ccc(cc1)CN[13CH3] 2230a_100000743749_200025704644 [0,2,0,0,0,0|1,0,0]=3 1851 B13R1.139 CNC(=O)c1ccc(cc1)CN[13CH3] 34a_100000743749_200025704644 [0,2,0,0,0,0|1,0,0]=3 1852 B13R1.139 CNC(=O)c1ccc(cc1)COC 11a_106832991635_100000189608 [0,2,0,0,0,0|2,0,0]=4 1853 B13R1.139 CNC(=O)c1ccc(cc1)COC 1626a_100102657272_100000189608 [0,2,0,0,0,0|2,0,0]=4 1854 B13R1.139 CNC(=O)c1ccc(cc1)COC 240690a_100102657272_100000189608 [0,2,0,0,0,0|2,0,0]=4 1855 B13R1.139 CNC(=O)c1ccc(cc1)COC 34a_100138415774_100000753832 [0,2,0,0,0,0|2,0,0]=4 1856 B13R1.139 CNC(=O)c1ccc(cc1)COC 527a_100102657272_100000189608 [0,2,0,0,0,0|2,0,0]=4 1857 B13R1.139 CNC(=O)c1ccc(cc1)CSC 11a_106832991635_100000175442 [0,2,0,0,0,0|2,0,0]=4 1858 B13R1.139 CNC(=O)c1ccc(cc1)CSC 1626a_100102657272_100000175442 [0,2,0,0,0,0|2,0,0]=4 1859 B13R1.139 CNC(=O)c1ccc(cc1)CSC 240690a_100102657272_100000175442 [0,2,0,0,0,0|2,0,0]=4 1860 B13R1.139 CNC(=O)c1ccc(cc1)CSC 527a_100102657272_100000175442 [0,2,0,0,0,0|2,0,0]=4 1861 B13R1.139 CNC(=O)c1ccc(cc1)CSC 62a_100000753832_200000210301 [0,2,0,0,0,0|2,0,0]=4 1862 B13R1.139 CNC(=O)c1ccc(cc1)CSC 62a_200000210301_100000753832 [0,2,0,0,0,0|2,0,0]=4 1863 B13R1.139 CNC(=O)c1ccc(cc1)CS[13CH3] 62a_100000753832_200025704644 [0,2,0,0,0,0|2,0,0]=4 1864 B13R1.139 CNC(=O)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000753832 [0,2,0,0,0,0|2,0,0]=4 1865 B13R1.139 CNC(=O)c1ccc(cc1)NCF 34a_100000184841_100015361967 [0,2,0,0,0,0|2,0,0]=4 1866 B13R1.139 CNC(=O)c1ccc(cc1)OCF 34a_100000192141_100015361967 [0,2,0,0,0,0|2,0,0]=4 1867 B13R1.139 CNC(=O)c1ccc(cc1)OCF 7a_100000192141_100015361967 [0,2,0,0,0,0|2,0,0]=4 1868 B13R1.139 CNC(=O)c1ccc(cc1)SCF 62a_100000155074_100015361967 [0,2,0,0,0,0|2,0,0]=4 1869 B13R1.139 CNC(=O)c1ccc(cc1)SCF 62a_100015361967_100000155074 [0,2,0,0,0,0|2,0,0]=4 1870 B13R1.139 CNCc1ccc(cc1)C(=O)CBr 26a_100102657272_100009814261 [0,2,0,0,0,0|1,0,0]=3 1871 B13R1.139 CNCc1ccc(cc1)C(=O)CCl 26a_100102657272_100000018856 [0,2,0,0,0,0|1,0,0]=3 1872 B13R1.139 CNCc1ccc(cc1)C(=O)CF 26a_100102657272_200010654591 [0,2,0,0,0,0|1,0,0]=3 1873 B13R1.139 CNCc1ccc(cc1)C(=O)NC 207a_100102657272_100000043907 [0,2,0,0,0,0|1,0,0]=3 1874 B13R1.139 CNCc1ccc(cc1)C(=O)NC 2230a_100000743749_200000210301 [0,2,0,0,0,0|1,0,0]=3 1875 B13R1.139 CNCc1ccc(cc1)C(=O)NC 2230a_106832991635_100000753832 [0,2,0,0,0,0|1,0,0]=3 1876 B13R1.139 CNCc1ccc(cc1)C(=O)NC 270004a_106832991635_100000043907 [0,2,0,0,0,0|1,0,0]=3 1877 B13R1.139 CNCc1ccc(cc1)C(=O)NC 34a_100000743749_200000210301 [0,2,0,0,0,0|1,0,0]=3 1878 B13R1.139 CNCc1ccc(cc1)C(=O)NC 34a_100102657272_100000753832 [0,2,0,0,0,0|1,0,0]=3 1879 B13R1.139 CNCc1ccc(cc1)C(=O)NC 7a_106832991635_100000753832 [0,2,0,0,0,0|1,0,0]=3 1880 B13R1.139 CNCc1ccc(cc1)C(=O)OC 2230a_106832991635_100000735637 [0,2,0,0,0,0|0,0,0]=2 1881 B13R1.139 CNCc1ccc(cc1)C(=O)OC 26a_100102657272_100000150123 [0,2,0,0,0,0|0,0,0]=2 1882 B13R1.139 CNCc1ccc(cc1)C(=O)OC 270004a_106832991635_100000148700 [0,2,0,0,0,0|0,0,0]=2 1883 B13R1.139 CNCc1ccc(cc1)C(=O)OC 34a_100102657272_100000735637 [0,2,0,0,0,0|0,0,0]=2 1884 B13R1.139 CNCc1ccc(cc1)C(=O)OC 7a_106832991635_100000735637 [0,2,0,0,0,0|0,0,0]=2 1885 B13R1.139 CNCc1ccc(cc1)C(C)OC 26a_100102657272_200010658654 [0,2,0,0,0,0|1,0,1]=4 1886 B13R1.139 CNCc1ccc(cc1)C(O)CN 26a_100102657272_100000067596 [0,2,0,0,0,0|1,0,1]=4 1887 B13R1.139 CNCc1ccc(cn1)C(=O)OC 2230a_106832991635_100000063545 [0,2,0,0,0,0|1,0,0]=3 1888 B13R1.139 CNCc1ccc(cn1)C(=O)OC 270004a_106832991635_100000762506 [0,2,0,0,0,0|1,0,0]=3 1889 B13R1.139 CNCc1ccc(cn1)C(=O)OC 34a_100102657272_100010230174 [0,2,0,0,0,0|1,0,0]=3 1890 B13R1.139 CNCc1ccc(cn1)C(=O)OC 7a_106832991635_100000063545 [0,2,0,0,0,0|1,0,0]=3 1891 B13R1.139 CNCc1ccc(nc1)C(=O)OC 2230a_106832991635_100010177729 [0,2,0,0,0,0|1,0,0]=3 1892 B13R1.139 CNCc1ccc(nc1)C(=O)OC 270004a_106832991635_102516457225 [0,2,0,0,0,0|1,0,0]=3 1893 B13R1.139 CNCc1ccc(nc1)C(=O)OC 34a_100102657272_100010177729 [0,2,0,0,0,0|1,0,0]=3 1894 B13R1.139 CNCc1ccc(nc1)C(=O)OC 7a_106832991635_100010177729 [0,2,0,0,0,0|1,0,0]=3 1895 B13R1.139 CNCc1cnc(cn1)C(=O)OC 2230a_106832991635_200010203303 [0,2,0,0,0,0|2,0,0]=4 1896 B13R1.139 CNCc1cnc(cn1)C(=O)OC 270004a_106832991635_100009852676 [0,2,0,0,0,0|2,0,0]=4 1897 B13R1.139 CNCc1cnc(cn1)C(=O)OC 34a_100102657272_200010203303 [0,2,0,0,0,0|2,0,0]=4 1898 B13R1.139 CNCc1cnc(cn1)C(=O)OC 7a_106832991635_200010203303 [0,2,0,0,0,0|2,0,0]=4 1899 B13R1.139 COC(=O)c1ccc(cc1)CO[13CH3] 34a_100000151488_200025704644 [0,2,0,0,0,0|1,0,0]=3 1900 B13R1.139 COC(=O)c1ccc(cc1)CO[13CH3] 7a_100000151488_200025704644 [0,2,0,0,0,0|1,0,0]=3 1901 B13R1.139 COC(=O)c1ccc(cc1)CSC 62a_100000735637_200000210301 [0,2,0,0,0,0|1,0,0]=3 1902 B13R1.139 COC(=O)c1ccc(cc1)CSC 62a_200000210301_100000187170 [0,2,0,0,0,0|1,0,0]=3 1903 B13R1.139 COC(=O)c1ccc(cc1)CS[13CH3] 62a_100000735637_200025704644 [0,2,0,0,0,0|1,0,0]=3 1904 B13R1.139 COC(=O)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000187170 [0,2,0,0,0,0|1,0,0]=3 1905 B13R1.139 COC(=O)c1ccc(cc1)OCF 34a_100000150123_100015361967 [0,2,0,0,0,0|1,0,0]=3 1906 B13R1.139 COC(=O)c1ccc(cc1)OCF 7a_100000150123_100015361967 [0,2,0,0,0,0|1,0,0]=3 1907 B13R1.139 COC(=O)c1ccc(cc1)SCF 62a_100000150774_100015361967 [0,2,0,0,0,0|1,0,0]=3 1908 B13R1.139 COC(=O)c1ccc(cc1)SCF 62a_100015361967_100000150774 [0,2,0,0,0,0|1,0,0]=3 1909 B13R1.139 COC(=O)c1ccc(cn1)CO[13CH3] 34a_100009873365_200025704644 [0,2,0,0,0,0|2,0,0]=4 1910 B13R1.139 COC(=O)c1ccc(cn1)CO[13CH3] 7a_100009873365_200025704644 [0,2,0,0,0,0|2,0,0]=4 1911 B13R1.139 COC(=O)c1ccc(cn1)CSC 62a_100010177729_200000210301 [0,2,0,0,0,0|2,0,0]=4 1912 B13R1.139 COC(=O)c1ccc(cn1)CSC 62a_200000210301_100010177729 [0,2,0,0,0,0|2,0,0]=4 1913 B13R1.139 COC(=O)c1ccc(cn1)CS[13CH3] 62a_100010177729_200025704644 [0,2,0,0,0,0|2,0,0]=4 1914 B13R1.139 COC(=O)c1ccc(cn1)CS[13CH3] 62a_200025704644_100010177729 [0,2,0,0,0,0|2,0,0]=4 1915 B13R1.139 COC(=O)c1ccc(cn1)OCF 34a_100011997255_100015361967 [0,2,0,0,0,0|2,0,0]=4 1916 B13R1.139 COC(=O)c1ccc(cn1)OCF 7a_100011997255_100015361967 [0,2,0,0,0,0|2,0,0]=4 1917 B13R1.139 COC(=O)c1ccc(cn1)SCF 62a_100015361967_100102712061 [0,2,0,0,0,0|2,0,0]=4 1918 B13R1.139 COC(=O)c1ccc(cn1)SCF 62a_100102712061_100015361967 [0,2,0,0,0,0|2,0,0]=4 1919 B13R1.139 COC(=O)c1ccc(nc1)CO[13CH3] 34a_100000239634_200025704644 [0,2,0,0,0,0|2,0,0]=4 1920 B13R1.139 COC(=O)c1ccc(nc1)CSC 62a_100010230174_200000210301 [0,2,0,0,0,0|2,0,0]=4 1921 B13R1.139 COC(=O)c1ccc(nc1)CSC 62a_200000210301_100010230174 [0,2,0,0,0,0|2,0,0]=4 1922 B13R1.139 COC(=O)c1ccc(nc1)CS[13CH3] 62a_100010230174_200025704644 [0,2,0,0,0,0|2,0,0]=4 1923 B13R1.139 COC(=O)c1ccc(nc1)CS[13CH3] 62a_200025704644_100010230174 [0,2,0,0,0,0|2,0,0]=4 1924 B13R1.139 COC(=O)c1ccc(nc1)SCF 62a_100000733799_100015361967 [0,2,0,0,0,0|2,0,0]=4 1925 B13R1.139 COC(=O)c1ccc(nc1)SCF 62a_100015361967_100000733799 [0,2,0,0,0,0|2,0,0]=4 1926 B13R1.139 COCc1ccc(cc1)C(=O)CF 1458a_100000189608_100015361967 [0,2,0,0,0,0|2,0,0]=4 1927 B13R1.139 COCc1ccc(cc1)C(=O)OC 34a_100000151488_200000210301 [0,2,0,0,0,0|1,0,0]=3 1928 B13R1.139 COCc1ccc(cc1)C(=O)OC 34a_100138415774_100000735637 [0,2,0,0,0,0|1,0,0]=3 1929 B13R1.139 COCc1ccc(cc1)C(=O)OC 7a_100000151488_200000210301 [0,2,0,0,0,0|1,0,0]=3 1930 B13R1.139 COCc1ccc(cn1)C(=O)OC 34a_100000239634_200000210301 [0,2,0,0,0,0|2,0,0]=4 1931 B13R1.139 COCc1ccc(cn1)C(=O)OC 34a_100138415774_100010230174 [0,2,0,0,0,0|2,0,0]=4 1932 B13R1.139 COCc1ccc(nc1)C(=O)OC 34a_100009873365_200000210301 [0,2,0,0,0,0|2,0,0]=4 1933 B13R1.139 COCc1ccc(nc1)C(=O)OC 34a_100138415774_100010177729 [0,2,0,0,0,0|2,0,0]=4 1934 B13R1.139 COCc1ccc(nc1)C(=O)OC 7a_100009873365_200000210301 [0,2,0,0,0,0|2,0,0]=4 1935 B13R1.139 CSCc1ccc(cc1)C(=O)CF 1458a_100000175442_100015361967 [0,2,0,0,0,0|2,0,0]=4 1936 B13R1.139 N#CC(=O)c1ccc(cc1)SCF 62a_100015361967_100009994572 [0,2,0,0,0,0|2,0,0]=4 1937 B13R1.139 N#CCc1ccc(cc1)C(=O)CF 1458a_100000693995_100015361967 [0,2,0,0,0,0|1,0,1]=4 1938 B13R1.139 NC(=NO)c1ccc(cc1)OCF 34a_100000231063_100015361967 [0,2,0,0,0,0|2,0,0]=4 1939 B13R1.139 NCC(=O)c1ccc(cc1)SCF 62a_100000017248_100015361967 [0,2,0,0,0,0|2,0,0]=4 1940 B13R1.139 NCC(=O)c1ccc(cc1)SCF 62a_100015361967_100000017248 [0,2,0,0,0,0|2,0,0]=4 1941 B13R1.139 NNC(=O)c1ccc(cc1)OCF 34a_100000185078_100015361967 [0,2,0,0,0,0|2,0,0]=4 1942 B13R1.139 NNC(=O)c1ccc(cc1)SCF 62a_100000183614_100015361967 [0,2,0,0,0,0|2,0,0]=4 1943 B13R1.139 NNC(=O)c1ccc(cc1)SCF 62a_100015361967_100000183614 [0,2,0,0,0,0|2,0,0]=4 1944 B13R1.139 O=C(CBr)c1ccc(cc1)OCF 7a_100009814261_100015361967 [0,2,0,0,0,0|2,0,0]=4 1945 B13R1.139 O=C(CCl)c1ccc(cc1)OCF 7a_100000018856_100015361967 [0,2,0,0,0,0|2,0,0]=4 1946 B13R1.139 O=C(CF)c1ccc(cc1)CCO 1458a_100000078963_100015361967 [0,2,0,0,0,0|2,0,0]=4 1947 B13R1.139 O=C(CF)c1ccc(cc1)OCF 34a_200010654591_100015361967 [0,2,0,0,0,0|2,0,0]=4 1948 B13R1.139 O=C(CF)c1ccc(cc1)OCF 7a_200010654591_100015361967 [0,2,0,0,0,0|2,0,0]=4 1949 B13R1.139 O=C(CO)c1ccc(cc1)SCF 62a_100011219529_100015361967 [0,2,0,0,0,0|1,0,0]=3 1950 B13R1.139 O=C(CO)c1ccc(cc1)SCF 62a_100015361967_100011219529 [0,2,0,0,0,0|1,0,0]=3 1951 B13R1.139 O=CC(=O)c1ccc(cc1)SCF 62a_100000725942_100015361967 [0,2,0,0,0,0|1,0,1]=4 1952 B13R1.139 O=CC(=O)c1ccc(cc1)SCF 62a_100015361967_100000725942 [0,2,0,0,0,0|1,0,1]=4 1953 B13R1.452 C#CCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000184674 [0,2,0,0,0,0|2,0,0]=4 1954 B13R1.452 C#CCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000184674 [0,2,0,0,0,0|2,0,0]=4 1955 B13R1.452 C#Cc1ccc(cc1)C(=O)CCO 1458a_100011217615_100000211926 [0,2,0,0,0,0|1,0,1]=4 1956 B13R1.452 C=CCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000210623 [0,2,0,0,0,0|2,0,0]=4 1957 B13R1.452 C=CCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210623 [0,2,0,0,0,0|2,0,0]=4 1958 B13R1.452 C=Cc1ccc(cc1)C(=O)CCO 1458a_100000687532_100000211926 [0,2,0,0,0,0|1,0,1]=4 1959 B13R1.452 C=Cc1ccc(cc1)C(=O)COC 271570a_100011290941_200011343064 [0,2,0,0,0,0|1,0,1]=4 1960 B13R1.452 C=Cc1ccc(cc1)C(=O)OCC 271570a_100011290941_100000170077 [0,2,0,0,0,0|1,0,1]=4 1961 B13R1.452 CC(OCF)c1ccc(cc1)CN 34a_200000048501_100015361967 [0,2,0,0,0,0|1,0,1]=4 1962 B13R1.452 CCCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000210303 [0,2,0,0,0,0|2,0,0]=4 1963 B13R1.452 CCCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210303 [0,2,0,0,0,0|2,0,0]=4 1964 B13R1.452 CCNC(=O)c1ccc(cc1)CC 11a_100015525214_100000211226 [0,2,0,0,0,0|2,0,0]=4 1965 B13R1.452 CCNC(=O)c1ccc(cc1)CC 240690a_100015525214_100000211226 [0,2,0,0,0,0|2,0,0]=4 1966 B13R1.452 CCNC(=O)c1ccc(cc1)CC 527a_100015525214_100000211226 [0,2,0,0,0,0|2,0,0]=4 1967 B13R1.452 CCNC(=O)c1ccc(cc1)CO 240690a_100015525214_100000183892 [0,2,0,0,0,0|2,0,0]=4 1968 B13R1.452 CCOC(=O)c1ccc(cc1)OC 34a_100000169885_200000210301 [0,2,0,0,0,0|2,0,0]=4 1969 B13R1.452 CCOC(=O)c1ccc(cc1)OC 7a_100000169885_200000210301 [0,2,0,0,0,0|2,0,0]=4 1970 B13R1.452 CCOC(=O)c1ccc(cc1)O[13CH3] 34a_100000169885_200025704644 [0,2,0,0,0,0|2,0,0]=4 1971 B13R1.452 CCOC(=O)c1ccc(cc1)O[13CH3] 7a_100000169885_200025704644 [0,2,0,0,0,0|2,0,0]=4 1972 B13R1.452 CCOC(=O)c1ccc(cc1)SC 62a_100000169895_200000210301 [0,2,0,0,0,0|2,0,0]=4 1973 B13R1.452 CCOC(=O)c1ccc(cc1)SC 62a_200000210301_100000169919 [0,2,0,0,0,0|2,0,0]=4 1974 B13R1.452 CCOC(=O)c1ccc(cc1)S[13CH3] 62a_100000169895_200025704644 [0,2,0,0,0,0|2,0,0]=4 1975 B13R1.452 CCOC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000169919 [0,2,0,0,0,0|2,0,0]=4 1976 B13R1.452 CCOC(C)c1ccc(cc1)CN 34a_200000048501_100000210202 [0,2,0,0,0,0|1,0,1]=4 1977 B13R1.452 CCc1ccc(cc1)C(=O)CC#N 1458a_100000211226_100011214920 [0,2,0,0,0,0|2,0,0]=4 1978 B13R1.452 CCc1ccc(cc1)C(=O)CCF 1458a_100000211226_100011217306 [0,2,0,0,0,0|2,0,0]=4 1979 B13R1.452 CCc1ccc(cc1)C(=O)CCO 1458a_100000211226_100000211926 [0,2,0,0,0,0|1,0,0]=3 1980 B13R1.452 CCc1ccc(cc1)C(=O)CNC 2230a_106832991635_100000689809 [0,2,0,0,0,0|2,0,0]=4 1981 B13R1.452 CCc1ccc(cc1)C(=O)CNC 7a_106832991635_100000183122 [0,2,0,0,0,0|2,0,0]=4 1982 B13R1.452 CCc1ccc(cc1)C(=O)CSC 62a_100000689809_200000210301 [0,2,0,0,0,0|1,1,0]=4 1983 B13R1.452 CCc1ccc(cc1)C(=O)CSC 62a_200000210301_100000689809 [0,2,0,0,0,0|1,1,0]=4 1984 B13R1.452 CCc1ccc(cc1)C(=O)CS[13CH3] 62a_100000689809_200025704644 [0,2,0,0,0,0|1,1,0]=4 1985 B13R1.452 CCc1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100000689809 [0,2,0,0,0,0|1,1,0]=4 1986 B13R1.452 CCc1ccc(cc1)C(=O)NNC 22a_100016993582_100000211226 [0,2,0,0,0,0|2,0,0]=4 1987 B13R1.452 CNNC(=O)c1ccc(cc1)CO 22a_100016993582_100000183892 [0,2,0,0,0,0|2,0,0]=4 1988 B13R1.452 COCC(=O)c1ccc(cc1)C#N 34a_100011592799_200000210301 [0,2,0,0,0,0|0,0,2]=4 1989 B13R1.452 COCC(=O)c1ccc(cc1)OC 34a_200009861119_200000210301 [0,2,0,0,0,0|2,0,0]=4 1990 B13R1.452 COCC(=O)c1ccc(cc1)OC 7a_200009861119_200000210301 [0,2,0,0,0,0|2,0,0]=4 1991 B13R1.452 COCC(=O)c1ccc(cc1)O[13CH3] 34a_200009861119_200025704644 [0,2,0,0,0,0|2,0,0]=4 1992 B13R1.452 COCC(=O)c1ccc(cc1)O[13CH3] 7a_200009861119_200025704644 [0,2,0,0,0,0|2,0,0]=4 1993 B13R1.452 COCC(=O)c1ccc(cc1)SC 34a_100138415774_100011216809 [0,2,0,0,0,0|2,0,0]=4 1994 B13R1.452 COCC(=O)c1ccc(cc1)SC 62a_200011343064_200000210301 [0,2,0,0,0,0|2,0,0]=4 1995 B13R1.452 COCC(=O)c1ccc(cc1)S[13CH3] 62a_200011343064_200025704644 [0,2,0,0,0,0|2,0,0]=4 1996 B13R1.452 COc1ccc(cc1)C(=O)CCO 1458a_100000184203_100000211926 [0,2,0,0,0,0|2,0,0]=4 1997 B13R1.452 CSc1ccc(cc1)C(=O)CCO 1458a_100000189692_100000211926 [0,2,0,0,0,0|2,0,0]=4 1998 B13R1.452 N#CCC(=O)c1ccc(cc1)CO 1458a_100000183892_100011214920 [0,2,0,0,0,0|2,0,0]=4 1999 B13R1.452 N#Cc1ccc(cc1)C(=O)CCO 1458a_100000210717_100000211926 [0,2,0,0,0,0|0,0,2]=4 2000 B13R1.452 O=C(CCF)c1ccc(cc1)CO 1458a_100000183892_100011217306 [0,2,0,0,0,0|2,0,0]=4 2001 B13R1.452 O=C(CCO)c1ccc(cc1)CO 1458a_100000183892_100000211926 [0,2,0,0,0,0|1,0,0]=3 2002 B13R1.452 [13CH3]OCC(=O)c1ccc(cc1)C#N 34a_100011592799_200025704644 [0,2,0,0,0,0|0,0,2]=4 2003 B13R1.537 C=C(C)c1ccc(cc1)C(=O)CN 271570a_100000694244_100000017248 [0,2,0,0,0,0|2,0,0]=4 2004 B13R1.537 C=C(C)c1ccc(cc1)C(=O)CO 271570a_100000694244_100011219529 [0,2,0,0,0,0|1,0,1]=4 2005 B13R1.537 C=C(C)c1ccc(cc1)C(=O)OC 271570a_100000694244_100000150774 [0,2,0,0,0,0|1,0,1]=4 2006 B13R1.537 C=C(C)c1ccc(cc1)C(C)NC 271570a_100000694244_100000231103 [0,2,0,0,0,0|2,0,0]=4 2007 B13R1.537 C=C(C)c1ccc(cc1)C(N)C#N 271570a_100000694244_106722365845 [0,2,0,0,0,0|2,0,0]=4 2008 B13R1.537 C=C(C)c1ccc(cc1)C(N)CO 271570a_100000694244_100000734186 [0,2,0,0,0,0|2,0,0]=4 2009 B13R1.537 C=C(C)c1ccc(cc1)C(O)CN 271570a_100000694244_100020626992 [0,2,0,0,0,0|2,0,0]=4 2010 B13R1.537 C=C(C)c1ccc(cc1)[C@@H](N)CC 271570a_100000694244_100025736560 [0,2,0,0,0,0|2,0,0]=4 2011 B13R1.537 CC(C)c1ccc(cc1)C(=O)CF 1458a_100000210772_100015361967 [0,2,0,0,0,0|2,0,0]=4 2012 B13R1.537 CC(O)c1ccc(cc1)C(=O)CF 1458a_100000076921_100015361967 [0,2,0,0,0,0|2,0,0]=4 2013 B13R1.537 CC(O[13CH3])c1ccc(cc1)C(=O)N 7a_200010363529_200025704644 [0,2,0,0,0,0|2,0,0]=4 2014 B13R1.537 CCC(=O)c1ccc(cc1)C(=O)N 1458a_100000230133_100000210202 [0,2,0,0,0,0|1,0,1]=4 2015 B13R1.537 CCC(=O)c1ccc(cc1)C(C)C 1458a_100000210772_100000210202 [0,2,0,0,0,0|2,0,0]=4 2016 B13R1.537 CCC(=O)c1ccc(cc1)C(C)O 1458a_100000076921_100000210202 [0,2,0,0,0,0|2,0,0]=4 2017 B13R1.537 CCC(=O)c1ccc(cc1)C(F)F 1458a_100011735500_100000210202 [0,2,0,0,0,0|2,0,0]=4 2018 B13R1.537 CCN(C)c1ccc(cc1)C(=O)O 269956a_100011218868_200000210301 [0,2,0,0,0,0|1,0,0]=3 2019 B13R1.537 CCN([13CH3])c1ccc(cc1)C(=O)O 269956a_100011218868_200025704644 [0,2,0,0,0,0|1,0,0]=3 2020 B13R1.537 CNC(=O)c1ccc(cc1)C(=O)C 1458a_100011298788_200000210301 [0,2,0,0,0,0|1,0,1]=4 2021 B13R1.537 CNC(=O)c1ccc(cc1)C(=O)N 11a_106832991635_100000230133 [0,2,0,0,0,0|1,0,1]=4 2022 B13R1.537 CNC(=O)c1ccc(cc1)C(=O)N 1626a_100102657272_100000230133 [0,2,0,0,0,0|1,0,1]=4 2023 B13R1.537 CNC(=O)c1ccc(cc1)C(=O)N 240690a_100102657272_100000230133 [0,2,0,0,0,0|1,0,1]=4 2024 B13R1.537 CNC(=O)c1ccc(cc1)C(=O)[13CH3] 1458a_100011298788_200025704644 [0,2,0,0,0,0|1,0,1]=4 2025 B13R1.537 CNC(=O)c1ccc(cc1)C(C)C 11a_106832991635_100000210772 [0,2,0,0,0,0|2,0,0]=4 2026 B13R1.537 CNC(=O)c1ccc(cc1)C(C)C 1626a_100102657272_100000210772 [0,2,0,0,0,0|2,0,0]=4 2027 B13R1.537 CNC(=O)c1ccc(cc1)C(C)C 240690a_100102657272_100000210772 [0,2,0,0,0,0|2,0,0]=4 2028 B13R1.537 CNC(=O)c1ccc(cc1)C(C)C 527a_100102657272_100000210772 [0,2,0,0,0,0|2,0,0]=4 2029 B13R1.537 CNC(=O)c1ccc(cc1)C(C)O 240690a_100102657272_100000076921 [0,2,0,0,0,0|2,0,0]=4 2030 B13R1.537 CNC(=O)c1ccc(cc1)C(F)F 11a_106832991635_100011735500 [0,2,0,0,0,0|2,0,0]=4 2031 B13R1.537 CNC(=O)c1ccc(cc1)C(F)F 1626a_100102657272_100011735500 [0,2,0,0,0,0|2,0,0]=4 2032 B13R1.537 CNC(=O)c1ccc(cc1)C(F)F 240690a_100102657272_100011735500 [0,2,0,0,0,0|2,0,0]=4 2033 B13R1.537 CNC(=O)c1ccc(cc1)C(F)F 527a_100102657272_100011735500 [0,2,0,0,0,0|2,0,0]=4 2034 B13R1.537 CNC(C)c1ccc(cc1)[N+](=O)[O-] 2230a_106832991635_100000684656 [0,2,0,0,0,0|1,0,1]=4 2035 B13R1.537 CNC(C)c1ccc(cc1)[N+](=O)[O-] 7a_106832991635_100000684656 [0,2,0,0,0,0|1,0,1]=4 2036 B13R1.537 CN[C@@H](C)c1ccc(cc1)C(=O)O 269956a_100020638929_200000210301 [0,2,0,0,0,0|0,0,0]=2 2037 B13R1.537 CN[C@@H](C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000008510_200000210301 [0,2,0,0,0,0|1,0,1]=4 2038 B13R1.537 COC(=O)c1ccc(cc1)C(=O)C 1458a_100000211811_200000210301 [0,2,0,0,0,0|1,0,1]=4 2039 B13R1.537 COC(=O)c1ccc(cc1)C(=O)[13CH3] 1458a_100000211811_200025704644 [0,2,0,0,0,0|1,0,1]=4 2040 B13R1.537 COC(=O)c1ccc(cc1)N(C)C 2230a_100000220287_200000210301 [0,2,0,0,0,0|2,0,0]=4 2041 B13R1.537 COC(=O)c1ccc(cc1)N(C)C 269982a_100000220287_200000210301 [0,2,0,0,0,0|2,0,0]=4 2042 B13R1.537 COC(=O)c1ccc(cc1)N(C)C 34a_100000220287_200000210301 [0,2,0,0,0,0|2,0,0]=4 2043 B13R1.537 COC(=O)c1ccc(cc1)N(C)[13CH3] 2230a_100000220287_200025704644 [0,2,0,0,0,0|2,0,0]=4 2044 B13R1.537 COC(=O)c1ccc(cc1)N(C)[13CH3] 269982a_100000220287_200025704644 [0,2,0,0,0,0|2,0,0]=4 2045 B13R1.537 COC(=O)c1ccc(cc1)N(C)[13CH3] 34a_100000220287_200025704644 [0,2,0,0,0,0|2,0,0]=4 2046 B13R1.537 COC(C)c1ccc(cc1)C(=O)N 7a_200010363529_200000210301 [0,2,0,0,0,0|2,0,0]=4 2047 B13R1.537 C[C@H](N[13CH3])c1ccc(cc1)C(=O)O 269956a_100020638929_200025704644 [0,2,0,0,0,0|0,0,0]=2 2048 B13R1.537 C[C@H](N[13CH3])c1ccc(cc1)[N+](=O)[O-] 2230a_100000008510_200025704644 [0,2,0,0,0,0|1,0,1]=4 2049 B13R1.537 NC(=O)c1ccc(cc1)C(=O)CF 1458a_100000230133_100015361967 [0,2,0,0,0,0|1,0,1]=4 2050 B13R1.537 O=C(CF)c1ccc(cc1)C(F)F 1458a_100011735500_100015361967 [0,2,0,0,0,0|2,0,0]=4 2051 B13R1.3088 C=Cc1ccc(cc1Br)C(=O)OC 271570a_100011290941_100011294788 [0,2,0,0,0,0|1,0,1]=4 2052 B13R1.3088 C=Cc1ccc(cc1C)C(=O)OC 271570a_100011290941_100011215878 [0,2,0,0,0,0|1,0,1]=4 2053 B13R1.3088 C=Cc1ccc(cc1Cl)C(=O)OC 271570a_100011290941_100012356344 [0,2,0,0,0,0|1,0,1]=4 2054 B13R1.3088 C=Cc1ccc(cc1F)C(=O)OC 271570a_100011290941_100000703229 [0,2,0,0,0,0|1,0,1]=4 2055 B13R1.3088 C=Cc1ccc(cc1N)C(=O)OC 271570a_100011290941_100011450966 [0,2,0,0,0,0|1,0,1]=4 2056 B13R1.3088 C=Cc1ccc(cc1O)C(=O)OC 271570a_100011290941_100012350776 [0,2,0,0,0,0|1,0,1]=4 2057 B13R1.3088 CCC(=O)c1ccc(c(c1)Br)CC 1458a_100012340589_100000210202 [0,2,0,0,0,0|2,0,0]=4 2058 B13R1.3088 CCC(=O)c1ccc(c(c1)F)CO 1458a_100000687192_100000210202 [0,2,0,0,0,0|2,0,0]=4 2059 B13R1.3088 CCC(=O)c1ccc(c(c1)O)CC 1458a_100000089006_100000210202 [0,2,0,0,0,0|2,0,0]=4 2060 B13R1.3088 CCc1ccc(cc1Br)C(=O)CF 1458a_100012340589_100015361967 [0,2,0,0,0,0|2,0,0]=4 2061 B13R1.3088 CCc1ccc(cc1Br)C(=O)NC 11a_106832991635_100012340589 [0,2,0,0,0,0|2,0,0]=4 2062 B13R1.3088 CCc1ccc(cc1Br)C(=O)NC 1626a_100102657272_100012340589 [0,2,0,0,0,0|2,0,0]=4 2063 B13R1.3088 CCc1ccc(cc1Br)C(=O)NC 240690a_100102657272_100012340589 [0,2,0,0,0,0|2,0,0]=4 2064 B13R1.3088 CCc1ccc(cc1Br)C(=O)NC 527a_100102657272_100012340589 [0,2,0,0,0,0|2,0,0]=4 2065 B13R1.3088 CCc1ccc(cc1O)C(=O)CF 1458a_100000089006_100015361967 [0,2,0,0,0,0|2,0,0]=4 2066 B13R1.3088 CCc1ccc(cc1O)C(=O)NC 240690a_100102657272_100000089006 [0,2,0,0,0,0|2,0,0]=4 2067 B13R1.3088 CCc1ccc(cc1O)C(=O)NC 527a_100102657272_100000089006 [0,2,0,0,0,0|2,0,0]=4 2068 B13R1.3088 CCc1ccc(cc1O)C(=O)OC 271570a_203496583355_200012360130 [0,2,0,0,0,0|1,0,0]=3 2069 B13R1.3088 CNC(=O)c1ccc(c(c1)F)CO 1626a_100102657272_100000687192 [0,2,0,0,0,0|2,0,0]=4 2070 B13R1.3088 CNC(=O)c1ccc(c(c1)F)CO 240690a_100102657272_100000687192 [0,2,0,0,0,0|2,0,0]=4 2071 B13R1.3088 COC(=O)c1ccc(c(c1)Br)OC 34a_100000216328_200000210301 [0,2,0,0,0,0|2,0,0]=4 2072 B13R1.3088 COC(=O)c1ccc(c(c1)Br)OC 7a_100000216328_200000210301 [0,2,0,0,0,0|2,0,0]=4 2073 B13R1.3088 COC(=O)c1ccc(c(c1)Br)O[13CH3] 34a_100000216328_200025704644 [0,2,0,0,0,0|2,0,0]=4 2074 B13R1.3088 COC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100000216328_200025704644 [0,2,0,0,0,0|2,0,0]=4 2075 B13R1.3088 COC(=O)c1ccc(c(c1)Br)SC 62a_100011294788_200000210301 [0,2,0,0,0,0|2,0,0]=4 2076 B13R1.3088 COC(=O)c1ccc(c(c1)Br)SC 62a_200000210301_100011294788 [0,2,0,0,0,0|2,0,0]=4 2077 B13R1.3088 COC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_100011294788_200025704644 [0,2,0,0,0,0|2,0,0]=4 2078 B13R1.3088 COC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100011294788 [0,2,0,0,0,0|2,0,0]=4 2079 B13R1.3088 COC(=O)c1ccc(c(c1)C)OC 34a_100011997373_200000210301 [0,2,0,0,0,0|2,0,0]=4 2080 B13R1.3088 COC(=O)c1ccc(c(c1)C)OC 7a_100011997373_200000210301 [0,2,0,0,0,0|2,0,0]=4 2081 B13R1.3088 COC(=O)c1ccc(c(c1)C)O[13CH3] 34a_100011997373_200025704644 [0,2,0,0,0,0|2,0,0]=4 2082 B13R1.3088 COC(=O)c1ccc(c(c1)C)O[13CH3] 7a_100011997373_200025704644 [0,2,0,0,0,0|2,0,0]=4 2083 B13R1.3088 COC(=O)c1ccc(c(c1)C)SC 62a_100011215878_200000210301 [0,2,0,0,0,0|2,0,0]=4 2084 B13R1.3088 COC(=O)c1ccc(c(c1)C)SC 62a_200000210301_100011215878 [0,2,0,0,0,0|2,0,0]=4 2085 B13R1.3088 COC(=O)c1ccc(c(c1)C)S[13CH3] 62a_100011215878_200025704644 [0,2,0,0,0,0|2,0,0]=4 2086 B13R1.3088 COC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_100011215878 [0,2,0,0,0,0|2,0,0]=4 2087 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)OC 34a_100000151454_200000210301 [0,2,0,0,0,0|2,0,0]=4 2088 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)OC 7a_100000151454_200000210301 [0,2,0,0,0,0|2,0,0]=4 2089 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100000151454_200025704644 [0,2,0,0,0,0|2,0,0]=4 2090 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100000151454_200025704644 [0,2,0,0,0,0|2,0,0]=4 2091 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)SC 62a_100012356344_200000210301 [0,2,0,0,0,0|2,0,0]=4 2092 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)SC 62a_200000210301_100012356344 [0,2,0,0,0,0|2,0,0]=4 2093 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)S[13CH3] 62a_100012356344_200025704644 [0,2,0,0,0,0|2,0,0]=4 2094 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)S[13CH3] 62a_200025704644_100012356344 [0,2,0,0,0,0|2,0,0]=4 2095 B13R1.3088 COC(=O)c1ccc(c(c1)F)OC 34a_100000075456_200000210301 [0,2,0,0,0,0|2,0,0]=4 2096 B13R1.3088 COC(=O)c1ccc(c(c1)F)OC 7a_100000075456_200000210301 [0,2,0,0,0,0|2,0,0]=4 2097 B13R1.3088 COC(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000075456_200025704644 [0,2,0,0,0,0|2,0,0]=4 2098 B13R1.3088 COC(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000075456_200025704644 [0,2,0,0,0,0|2,0,0]=4 2099 B13R1.3088 COC(=O)c1ccc(c(c1)F)SC 62a_100000703229_200000210301 [0,2,0,0,0,0|2,0,0]=4 2100 B13R1.3088 COC(=O)c1ccc(c(c1)F)SC 62a_200000210301_100000703229 [0,2,0,0,0,0|2,0,0]=4 2101 B13R1.3088 COC(=O)c1ccc(c(c1)F)S[13CH3] 62a_100000703229_200025704644 [0,2,0,0,0,0|2,0,0]=4 2102 B13R1.3088 COC(=O)c1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000703229 [0,2,0,0,0,0|2,0,0]=4 2103 B13R1.3088 COC(=O)c1ccc(c(c1)I)OC 34a_100010162523_200000210301 [0,2,0,0,0,0|2,0,0]=4 2104 B13R1.3088 COC(=O)c1ccc(c(c1)I)OC 7a_100010162523_200000210301 [0,2,0,0,0,0|2,0,0]=4 2105 B13R1.3088 COC(=O)c1ccc(c(c1)I)O[13CH3] 34a_100010162523_200025704644 [0,2,0,0,0,0|2,0,0]=4 2106 B13R1.3088 COC(=O)c1ccc(c(c1)I)O[13CH3] 7a_100010162523_200025704644 [0,2,0,0,0,0|2,0,0]=4 2107 B13R1.3088 COC(=O)c1ccc(c(c1)N)OC 34a_100000724433_200000210301 [0,2,0,0,0,0|2,0,0]=4 2108 B13R1.3088 COC(=O)c1ccc(c(c1)N)OC 7a_100000724433_200000210301 [0,2,0,0,0,0|2,0,0]=4 2109 B13R1.3088 COC(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000724433_200025704644 [0,2,0,0,0,0|2,0,0]=4 2110 B13R1.3088 COC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000724433_200025704644 [0,2,0,0,0,0|2,0,0]=4 2111 B13R1.3088 COC(=O)c1ccc(c(c1)N)SC 62a_100011450966_200000210301 [0,2,0,0,0,0|2,0,0]=4 2112 B13R1.3088 COC(=O)c1ccc(c(c1)N)SC 62a_200000210301_100011450966 [0,2,0,0,0,0|2,0,0]=4 2113 B13R1.3088 COC(=O)c1ccc(c(c1)N)S[13CH3] 62a_100011450966_200025704644 [0,2,0,0,0,0|2,0,0]=4 2114 B13R1.3088 COC(=O)c1ccc(c(c1)N)S[13CH3] 62a_200025704644_100011450966 [0,2,0,0,0,0|2,0,0]=4 2115 B13R1.3088 COC(=O)c1ccc(c(c1)O)C#N 271570a_203496583355_100009861381 [0,2,0,0,0,0|0,0,2]=4 2116 B13R1.3088 COC(=O)c1ccc(c(c1)O)C=O 271570a_203496583355_100012179231 [0,2,0,0,0,0|1,0,1]=4 2117 B13R1.3088 COC(=O)c1ccc(c(c1)O)CO 271570a_203496583355_100012355398 [0,2,0,0,0,0|1,0,0]=3 2118 B13R1.3088 COC(=O)c1ccc(c(c1)O)OC 271570a_203496583355_100000189012 [0,2,0,0,0,0|2,0,0]=4 2119 B13R1.3088 COC(=O)c1ccc(c(c1)O)SC 62a_100012350776_200000210301 [0,2,0,0,0,0|2,0,0]=4 2120 B13R1.3088 COC(=O)c1ccc(c(c1)O)SC 62a_200000210301_100012350776 [0,2,0,0,0,0|2,0,0]=4 2121 B13R1.3088 COC(=O)c1ccc(c(c1)O)S[13CH3] 62a_100012350776_200025704644 [0,2,0,0,0,0|2,0,0]=4 2122 B13R1.3088 COC(=O)c1ccc(c(c1)O)S[13CH3] 62a_200025704644_100012350776 [0,2,0,0,0,0|2,0,0]=4 2123 B13R1.3088 O=C(CF)c1ccc(c(c1)F)CO 1458a_100000687192_100015361967 [0,2,0,0,0,0|2,0,0]=4 2124 B13R1.140 CNCc1ccc(cc1)C(C)(C)O 26a_100102657272_100000695648 [0,2,0,0,0,0|1,0,1]=4 2125 B13R1.140 CNCc1ccc(cc1)S(=O)(=O)C 207a_100102657272_100000743486 [0,2,0,0,0,0|1,0,1]=4 2126 B13R1.140 CNCc1ccc(cc1)S(=O)(=O)C 2230a_106832991635_100000717844 [0,2,0,0,0,0|1,0,1]=4 2127 B13R1.140 CNCc1ccc(cc1)S(=O)(=O)C 26a_100102657272_100000230201 [0,2,0,0,0,0|1,0,1]=4 2128 B13R1.140 CNCc1ccc(cc1)S(=O)(=O)C 270004a_106832991635_100000743486 [0,2,0,0,0,0|1,0,1]=4 2129 B13R1.140 CNCc1ccc(cc1)S(=O)(=O)C 34a_100000745609_200000210301 [0,2,0,0,0,0|1,0,1]=4 2130 B13R1.140 CNCc1ccc(cc1)S(=O)(=O)C 34a_100102657272_100000717844 [0,2,0,0,0,0|1,0,1]=4 2131 B13R1.140 CNCc1ccc(cc1)S(=O)(=O)C 7a_106832991635_100000717844 [0,2,0,0,0,0|1,0,1]=4 2132 B13R1.140 CNCc1ccc(cc1)S(=O)(=O)N 207a_100102657272_100000080001 [0,2,0,0,0,0|1,0,1]=4 2133 B13R1.140 CNCc1ccc(cc1)S(=O)(=O)N 2230a_100000736568_200000210301 [0,2,0,0,0,0|1,0,1]=4 2134 B13R1.140 CNCc1ccc(cc1)S(=O)(=O)N 2230a_106832991635_200012292325 [0,2,0,0,0,0|1,0,1]=4 2135 B13R1.140 CNCc1ccc(cc1)S(=O)(=O)N 26a_100102657272_100000738502 [0,2,0,0,0,0|1,0,1]=4 2136 B13R1.140 CNCc1ccc(cc1)S(=O)(=O)N 270004a_106832991635_100000080001 [0,2,0,0,0,0|1,0,1]=4 2137 B13R1.140 CNCc1ccc(cc1)S(=O)(=O)N 34a_100102657272_200012292325 [0,2,0,0,0,0|1,0,1]=4 2138 B13R1.140 CNCc1ccc(cc1)S(=O)(=O)N 7a_106832991635_200012292325 [0,2,0,0,0,0|1,0,1]=4 2139 B13R1.140 CNCc1ccc(cc1)S(=O)(=O)[O-] 26a_100102657272_100000698548 [0,2,0,0,0,0|1,0,1]=4 2140 B13R1.140 CS(=O)(=O)c1ccc(cc1)CN[13CH3] 34a_100000745609_200025704644 [0,2,0,0,0,0|1,0,1]=4 2141 B13R1.140 [13CH3]NCc1ccc(cc1)S(=O)(=O)N 2230a_100000736568_200025704644 [0,2,0,0,0,0|1,0,1]=4 2142 B13R1.338 C=C(C)c1ccc(cc1)C(C)(C)N 271570a_100000694244_100000739617 [0,2,0,0,0,0|2,0,0]=4 2143 B13R1.338 CC(=O)c1ccc(cc1)C(C)(C)C 1458a_100000210226_200000210301 [0,2,0,0,0,0|2,0,0]=4 2144 B13R1.338 CC(=O)c1ccc(cc1)C(C)(F)F 1458a_100000734349_200000210301 [0,2,0,0,0,0|2,0,0]=4 2145 B13R1.338 CC(=O)c1ccc(cc1)C(F)(F)F 1458a_100000184032_200000210301 [0,2,0,0,0,0|2,0,0]=4 2146 B13R1.338 CC(=O)c1ccc(cc1)S(=O)(=O)N 1458a_100000176671_200000210301 [0,2,0,0,0,0|2,0,0]=4 2147 B13R1.338 CC(C)(C)c1ccc(cc1)C(=O)[13CH3] 1458a_100000210226_200025704644 [0,2,0,0,0,0|2,0,0]=4 2148 B13R1.338 CC(F)(F)c1ccc(cc1)C(=O)[13CH3] 1458a_100000734349_200025704644 [0,2,0,0,0,0|2,0,0]=4 2149 B13R1.338 [13CH3]C(=O)c1ccc(cc1)C(F)(F)F 1458a_100000184032_200025704644 [0,2,0,0,0,0|2,0,0]=4 2150 B13R1.338 [13CH3]C(=O)c1ccc(cc1)S(=O)(=O)N 1458a_100000176671_200025704644 [0,2,0,0,0,0|2,0,0]=4 2151 B13R1.120 C=C(C)c1ccc(c(c1)F)C(C)N 271570a_100000694244_100000730447 [0,2,0,0,0,0|2,0,0]=4 2152 B13R1.120 C=C(C)c1ccc(cc1F)[C@H](C)N 271570a_100000694244_100134618348 [0,2,0,0,0,0|2,0,0]=4 2153 B13R1.120 CC(=O)c1ccc(c(c1)Br)C(C)C 1458a_100010235942_200000210301 [0,2,0,0,0,0|2,0,0]=4 2154 B13R1.120 CC(=O)c1ccc(c(c1)Br)C(F)F 1458a_100010235945_200000210301 [0,2,0,0,0,0|2,0,0]=4 2155 B13R1.120 CC(=O)c1ccc(cc1C)C(=O)N 1458a_100009913687_200000210301 [0,2,0,0,0,0|1,0,1]=4 2156 B13R1.120 CC(=O)c1ccc(cc1F)C(C)C 1458a_100011941423_200000210301 [0,2,0,0,0,0|2,0,0]=4 2157 B13R1.120 CC(C)c1ccc(c(c1)F)C(=O)[13CH3] 1458a_100011941423_200025704644 [0,2,0,0,0,0|2,0,0]=4 2158 B13R1.120 CC(C)c1ccc(cc1Br)C(=O)[13CH3] 1458a_100010235942_200025704644 [0,2,0,0,0,0|2,0,0]=4 2159 B13R1.120 Cc1cc(ccc1C(=O)[13CH3])C(=O)N 1458a_100009913687_200025704644 [0,2,0,0,0,0|1,0,1]=4 2160 B13R1.120 [13CH3]C(=O)c1ccc(c(c1)Br)C(F)F 1458a_100010235945_200025704644 [0,2,0,0,0,0|2,0,0]=4 2161 B13R1.144 CC(=O)c1ccc(c(c1)Br)CS[13CH3] 62a_100010884425_200025704644 [0,2,0,0,0,0|2,0,0]=4 2162 B13R1.144 CC(=O)c1ccc(c(c1)Br)OCF 34a_100011772453_100015361967 [0,2,0,0,0,0|2,0,0]=4 2163 B13R1.144 CC(=O)c1ccc(c(c1)Br)OCF 7a_100011772453_100015361967 [0,2,0,0,0,0|2,0,0]=4 2164 B13R1.144 CC(=O)c1ccc(c(c1)Br)SCF 62a_100010146554_100015361967 [0,2,0,0,0,0|2,0,0]=4 2165 B13R1.144 CC(=O)c1ccc(c(c1)Br)SCF 62a_100015361967_100010146554 [0,2,0,0,0,0|2,0,0]=4 2166 B13R1.144 CC(=O)c1ccc(c(c1)C)OCF 34a_100000188726_100015361967 [0,2,0,0,0,0|2,0,0]=4 2167 B13R1.144 CC(=O)c1ccc(c(c1)C)OCF 7a_100000188726_100015361967 [0,2,0,0,0,0|2,0,0]=4 2168 B13R1.144 CC(=O)c1ccc(c(c1)C)SCF 62a_100000697869_100015361967 [0,2,0,0,0,0|2,0,0]=4 2169 B13R1.144 CC(=O)c1ccc(c(c1)C)SCF 62a_100015361967_100000697869 [0,2,0,0,0,0|2,0,0]=4 2170 B13R1.144 CC(=O)c1ccc(c(c1)Cl)OCF 34a_100000188625_100015361967 [0,2,0,0,0,0|2,0,0]=4 2171 B13R1.144 CC(=O)c1ccc(c(c1)Cl)OCF 7a_100000188625_100015361967 [0,2,0,0,0,0|2,0,0]=4 2172 B13R1.144 CC(=O)c1ccc(c(c1)F)OCF 34a_100000751691_100015361967 [0,2,0,0,0,0|2,0,0]=4 2173 B13R1.144 CC(=O)c1ccc(c(c1)F)OCF 7a_100000751691_100015361967 [0,2,0,0,0,0|2,0,0]=4 2174 B13R1.144 CC(=O)c1ccc(c(c1)F)SCF 62a_100000690002_100015361967 [0,2,0,0,0,0|2,0,0]=4 2175 B13R1.144 CC(=O)c1ccc(c(c1)F)SCF 62a_100015361967_100000690002 [0,2,0,0,0,0|2,0,0]=4 2176 B13R1.144 CC(=O)c1ccc(c(c1)N)OCF 34a_100000117292_100015361967 [0,2,0,0,0,0|2,0,0]=4 2177 B13R1.144 CC(=O)c1ccc(c(c1)N)OCF 7a_100000117292_100015361967 [0,2,0,0,0,0|2,0,0]=4 2178 B13R1.144 CC(=O)c1ccc(c(c1)N)SCF 62a_100009816534_100015361967 [0,2,0,0,0,0|2,0,0]=4 2179 B13R1.144 CCCc1ccc(cc1Br)C(=O)C 1458a_200010235943_200000210301 [0,2,0,0,0,0|2,0,0]=4 2180 B13R1.144 CCCc1ccc(cc1Br)C(=O)[13CH3] 1458a_200010235943_200025704644 [0,2,0,0,0,0|2,0,0]=4 2181 B13R1.144 CCNc1ccc(cc1Br)C(=O)N 27a_100015525214_100009814583 [0,2,0,0,0,0|2,0,0]=4 2182 B13R1.144 CCNc1ccc(cc1C)C(=O)N 27a_100015525214_100011218126 [0,2,0,0,0,0|2,0,0]=4 2183 B13R1.144 CCNc1ccc(cc1C)C(=O)N 34a_100000746439_100000210202 [0,2,0,0,0,0|2,0,0]=4 2184 B13R1.144 CCNc1ccc(cc1C)C(=O)N 7a_100000746439_100000210202 [0,2,0,0,0,0|2,0,0]=4 2185 B13R1.144 CCNc1ccc(cc1F)C(=O)N 27a_100015525214_100000686215 [0,2,0,0,0,0|2,0,0]=4 2186 B13R1.144 CCOc1ccc(cc1Br)C(=O)C 1458a_100000230806_200000210301 [0,2,0,0,0,0|2,0,0]=4 2187 B13R1.144 CCOc1ccc(cc1Br)C(=O)C 34a_100011772453_100000210202 [0,2,0,0,0,0|2,0,0]=4 2188 B13R1.144 CCOc1ccc(cc1Br)C(=O)C 7a_100011772453_100000210202 [0,2,0,0,0,0|2,0,0]=4 2189 B13R1.144 CCOc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000230806_200025704644 [0,2,0,0,0,0|2,0,0]=4 2190 B13R1.144 CCOc1ccc(cc1C)C(=O)C 34a_100000188726_100000210202 [0,2,0,0,0,0|2,0,0]=4 2191 B13R1.144 CCOc1ccc(cc1C)C(=O)C 7a_100000188726_100000210202 [0,2,0,0,0,0|2,0,0]=4 2192 B13R1.144 CCOc1ccc(cc1Cl)C(=O)C 1458a_100000230665_200000210301 [0,2,0,0,0,0|2,0,0]=4 2193 B13R1.144 CCOc1ccc(cc1Cl)C(=O)C 34a_100000188625_100000210202 [0,2,0,0,0,0|2,0,0]=4 2194 B13R1.144 CCOc1ccc(cc1Cl)C(=O)C 7a_100000188625_100000210202 [0,2,0,0,0,0|2,0,0]=4 2195 B13R1.144 CCOc1ccc(cc1Cl)C(=O)N 34a_200000192832_100000210202 [0,2,0,0,0,0|2,0,0]=4 2196 B13R1.144 CCOc1ccc(cc1Cl)C(=O)N 7a_200000192832_100000210202 [0,2,0,0,0,0|2,0,0]=4 2197 B13R1.144 CCOc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000230665_200025704644 [0,2,0,0,0,0|2,0,0]=4 2198 B13R1.144 CCOc1ccc(cc1F)C(=O)C 34a_100000751691_100000210202 [0,2,0,0,0,0|2,0,0]=4 2199 B13R1.144 CCOc1ccc(cc1F)C(=O)C 7a_100000751691_100000210202 [0,2,0,0,0,0|2,0,0]=4 2200 B13R1.144 CCOc1ccc(cc1N)C(=O)C 34a_100000117292_100000210202 [0,2,0,0,0,0|2,0,0]=4 2201 B13R1.144 CCOc1ccc(cc1N)C(=O)C 7a_100000117292_100000210202 [0,2,0,0,0,0|2,0,0]=4 2202 B13R1.144 CCSc1ccc(cc1Br)C(=O)C 62a_100000210202_100010146554 [0,2,0,0,0,0|2,0,0]=4 2203 B13R1.144 CCSc1ccc(cc1Br)C(=O)C 62a_100010146554_100000210202 [0,2,0,0,0,0|2,0,0]=4 2204 B13R1.144 CCSc1ccc(cc1Br)C(=O)N 62a_100000210202_100009814583 [0,2,0,0,0,0|2,0,0]=4 2205 B13R1.144 CCSc1ccc(cc1Br)C(=O)N 62a_100009814583_100000210202 [0,2,0,0,0,0|2,0,0]=4 2206 B13R1.144 CCSc1ccc(cc1C)C(=O)C 62a_100000210202_100000697869 [0,2,0,0,0,0|2,0,0]=4 2207 B13R1.144 CCSc1ccc(cc1C)C(=O)C 62a_100000697869_100000210202 [0,2,0,0,0,0|2,0,0]=4 2208 B13R1.144 CCSc1ccc(cc1C)C(=O)N 62a_100000210202_100011218126 [0,2,0,0,0,0|2,0,0]=4 2209 B13R1.144 CCSc1ccc(cc1C)C(=O)N 62a_100011218126_100000210202 [0,2,0,0,0,0|2,0,0]=4 2210 B13R1.144 CCSc1ccc(cc1F)C(=O)C 62a_100000210202_100000690002 [0,2,0,0,0,0|2,0,0]=4 2211 B13R1.144 CCSc1ccc(cc1F)C(=O)C 62a_100000690002_100000210202 [0,2,0,0,0,0|2,0,0]=4 2212 B13R1.144 CCSc1ccc(cc1F)C(=O)N 62a_100000210202_100000686215 [0,2,0,0,0,0|2,0,0]=4 2213 B13R1.144 CCSc1ccc(cc1F)C(=O)N 62a_100000686215_100000210202 [0,2,0,0,0,0|2,0,0]=4 2214 B13R1.144 CCSc1ccc(cc1N)C(=O)C 62a_100009816534_100000210202 [0,2,0,0,0,0|2,0,0]=4 2215 B13R1.144 CCSc1ccc(cc1O)C(=O)N 62a_100000210202_100012344895 [0,2,0,0,0,0|2,0,0]=4 2216 B13R1.144 CCSc1ccc(cc1O)C(=O)N 62a_100012344895_100000210202 [0,2,0,0,0,0|2,0,0]=4 2217 B13R1.144 CNCc1ccc(cc1Br)C(=O)C 2230a_106832991635_100010884425 [0,2,0,0,0,0|1,0,0]=3 2218 B13R1.144 CNCc1ccc(cc1Br)C(=O)C 26a_100102657272_100011772453 [0,2,0,0,0,0|1,0,0]=3 2219 B13R1.144 CNCc1ccc(cc1Br)C(=O)C 34a_100102657272_100010884425 [0,2,0,0,0,0|1,0,0]=3 2220 B13R1.144 CNCc1ccc(cc1Br)C(=O)C 7a_106832991635_100010884425 [0,2,0,0,0,0|1,0,0]=3 2221 B13R1.144 CNCc1ccc(cc1Br)[N+](=O)[O-] 2230a_106832991635_100000741879 [0,2,0,0,0,0|1,0,1]=4 2222 B13R1.144 CNCc1ccc(cc1Br)[N+](=O)[O-] 26a_100102657272_100000756651 [0,2,0,0,0,0|1,0,1]=4 2223 B13R1.144 CNCc1ccc(cc1Br)[N+](=O)[O-] 270004a_106832991635_100011202981 [0,2,0,0,0,0|1,0,1]=4 2224 B13R1.144 CNCc1ccc(cc1Br)[N+](=O)[O-] 34a_100102657272_100000741879 [0,2,0,0,0,0|1,0,1]=4 2225 B13R1.144 CNCc1ccc(cc1Br)[N+](=O)[O-] 7a_106832991635_100000741879 [0,2,0,0,0,0|1,0,1]=4 2226 B13R1.144 CNCc1ccc(cc1C)[N+](=O)[O-] 207a_100102657272_100000695237 [0,2,0,0,0,0|1,0,1]=4 2227 B13R1.144 CNCc1ccc(cc1C)[N+](=O)[O-] 2230a_106832991635_100010218038 [0,2,0,0,0,0|1,0,1]=4 2228 B13R1.144 CNCc1ccc(cc1C)[N+](=O)[O-] 26a_100102657272_100000744956 [0,2,0,0,0,0|1,0,1]=4 2229 B13R1.144 CNCc1ccc(cc1C)[N+](=O)[O-] 34a_100102657272_100010218038 [0,2,0,0,0,0|1,0,1]=4 2230 B13R1.144 CNCc1ccc(cc1C)[N+](=O)[O-] 7a_106832991635_100010218038 [0,2,0,0,0,0|1,0,1]=4 2231 B13R1.144 CNCc1ccc(cc1Cl)C(=O)C 26a_100102657272_100000188625 [0,2,0,0,0,0|1,0,0]=3 2232 B13R1.144 CNCc1ccc(cc1Cl)[N+](=O)[O-] 2230a_106832991635_100000747184 [0,2,0,0,0,0|1,0,1]=4 2233 B13R1.144 CNCc1ccc(cc1Cl)[N+](=O)[O-] 26a_100102657272_100000206008 [0,2,0,0,0,0|1,0,1]=4 2234 B13R1.144 CNCc1ccc(cc1Cl)[N+](=O)[O-] 270004a_106832991635_100000755334 [0,2,0,0,0,0|1,0,1]=4 2235 B13R1.144 CNCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100102657272_100000747184 [0,2,0,0,0,0|1,0,1]=4 2236 B13R1.144 CNCc1ccc(cc1Cl)[N+](=O)[O-] 7a_106832991635_100000747184 [0,2,0,0,0,0|1,0,1]=4 2237 B13R1.144 CNCc1ccc(cc1F)C(=O)C 26a_100102657272_100000751691 [0,2,0,0,0,0|1,0,0]=3 2238 B13R1.144 CNCc1ccc(cc1F)[N+](=O)[O-] 2230a_106832991635_100000759423 [0,2,0,0,0,0|1,0,1]=4 2239 B13R1.144 CNCc1ccc(cc1F)[N+](=O)[O-] 26a_100102657272_100000739697 [0,2,0,0,0,0|1,0,1]=4 2240 B13R1.144 CNCc1ccc(cc1F)[N+](=O)[O-] 34a_100016989035_200000210301 [0,2,0,0,0,0|1,0,1]=4 2241 B13R1.144 CNCc1ccc(cc1F)[N+](=O)[O-] 34a_100102657272_100000759423 [0,2,0,0,0,0|1,0,1]=4 2242 B13R1.144 CNCc1ccc(cc1F)[N+](=O)[O-] 7a_106832991635_100000759423 [0,2,0,0,0,0|1,0,1]=4 2243 B13R1.144 CNCc1ccc(cc1I)[N+](=O)[O-] 26a_100102657272_100012047213 [0,2,0,0,0,0|1,0,1]=4 2244 B13R1.144 COCc1ccc(cc1Br)C(=O)C 34a_100138415774_100010884425 [0,2,0,0,0,0|2,0,0]=4 2245 B13R1.144 CSCc1ccc(cc1Br)C(=O)C 62a_100010884425_200000210301 [0,2,0,0,0,0|2,0,0]=4 2246 B13R1.144 Cc1cc(ccc1NCF)C(=O)N 34a_100000746439_100015361967 [0,2,0,0,0,0|2,0,0]=4 2247 B13R1.144 Cc1cc(ccc1NCF)C(=O)N 7a_100000746439_100015361967 [0,2,0,0,0,0|2,0,0]=4 2248 B13R1.144 Cc1cc(ccc1SCF)C(=O)N 62a_100011218126_100015361967 [0,2,0,0,0,0|2,0,0]=4 2249 B13R1.144 Cc1cc(ccc1SCF)C(=O)N 62a_100015361967_100011218126 [0,2,0,0,0,0|2,0,0]=4 2250 B13R1.144 NC(=O)c1ccc(c(c1)Br)SCF 62a_100009814583_100015361967 [0,2,0,0,0,0|2,0,0]=4 2251 B13R1.144 NC(=O)c1ccc(c(c1)Br)SCF 62a_100015361967_100009814583 [0,2,0,0,0,0|2,0,0]=4 2252 B13R1.144 NC(=O)c1ccc(c(c1)Cl)OCF 34a_200000192832_100015361967 [0,2,0,0,0,0|2,0,0]=4 2253 B13R1.144 NC(=O)c1ccc(c(c1)Cl)OCF 7a_200000192832_100015361967 [0,2,0,0,0,0|2,0,0]=4 2254 B13R1.144 NC(=O)c1ccc(c(c1)F)SCF 62a_100000686215_100015361967 [0,2,0,0,0,0|2,0,0]=4 2255 B13R1.144 NC(=O)c1ccc(c(c1)F)SCF 62a_100015361967_100000686215 [0,2,0,0,0,0|2,0,0]=4 2256 B13R1.144 NC(=O)c1ccc(c(c1)O)SCF 62a_100012344895_100015361967 [0,2,0,0,0,0|2,0,0]=4 2257 B13R1.144 NC(=O)c1ccc(c(c1)O)SCF 62a_100015361967_100012344895 [0,2,0,0,0,0|2,0,0]=4 2258 B13R1.144 [13CH3]NCc1ccc(cc1F)[N+](=O)[O-] 34a_100016989035_200025704644 [0,2,0,0,0,0|1,0,1]=4 2259 B13R1.3091 C#Cc1cc(ccc1CC)C(=O)C 1458a_200134618274_200000210301 [0,2,0,0,0,0|2,0,0]=4 2260 B13R1.3091 C#Cc1cc(ccc1CC)C(=O)[13CH3] 1458a_200134618274_200025704644 [0,2,0,0,0,0|2,0,0]=4 2261 B13R1.3096 C=C(C)c1ccc(c(c1F)F)CN 271570a_100000694244_100020621914 [0,2,0,0,0,0|2,0,0]=4 2262 B13R1.3380 C=C(C)c1cc(c(c(c1)F)CN)F 271570a_100000694244_100000709252 [0,2,0,0,0,0|2,0,0]=4 2263 B13R1.3380 CC(=O)c1cc(c(c(c1)F)CO)F 1458a_200009844098_200000210301 [0,2,0,0,0,0|2,0,0]=4 2264 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 2265 B13R1.74 C#CCNc1ccc(cc1)C(=O)N 27a_100000212058_100000162191 [0,2,0,0,0,0|2,0,0]=4 2266 B13R1.74 C#CCNc1ccc(cc1)C(=O)N 34a_100000210537_100000184674 [0,2,0,0,0,0|2,0,0]=4 2267 B13R1.74 C#CCOc1ccc(cc1)C(=O)C 34a_100000185113_100000184674 [0,2,0,0,0,0|2,0,0]=4 2268 B13R1.74 C#CCOc1ccc(cc1)C(=O)C 7a_100000185113_100000038162 [0,2,0,0,0,0|2,0,0]=4 2269 B13R1.74 C#CCOc1ccc(cc1)C(=O)N 34a_100000746352_100000184674 [0,2,0,0,0,0|2,0,0]=4 2270 B13R1.74 C#CCOc1ccc(cc1)C(=O)N 7a_100000746352_100000038162 [0,2,0,0,0,0|2,0,0]=4 2271 B13R1.74 C#CCSc1ccc(cc1)C(=O)C 62a_100000038162_100000185465 [0,2,0,0,0,0|2,0,0]=4 2272 B13R1.74 C#CCSc1ccc(cc1)C(=O)N 62a_100000038162_100000162191 [0,2,0,0,0,0|2,0,0]=4 2273 B13R1.74 C=C(C)c1ccc(cc1)CCCN 271570a_100000694244_100011297623 [0,2,0,0,0,0|2,0,0]=4 2274 B13R1.74 C=C(C)c1ccc(cc1)CCNC 271570a_100000694244_100000752880 [0,2,0,0,0,0|2,0,0]=4 2275 B13R1.74 C=C(C)c1ccc(cc1)CNCC 271570a_100000694244_100000187385 [0,2,0,0,0,0|2,0,0]=4 2276 B13R1.74 C=C(C)c1ccc(cc1)OCCN 271570a_100000694244_100000746992 [0,2,0,0,0,0|2,0,0]=4 2277 B13R1.74 C=C(C)c1ccc(cc1)SCCN 271570a_100000694244_100000184645 [0,2,0,0,0,0|2,0,0]=4 2278 B13R1.74 C=CCNc1ccc(cc1)C(=O)N 27a_100020586998_100000162191 [0,2,0,0,0,0|2,0,0]=4 2279 B13R1.74 C=CCNc1ccc(cc1)C(=O)N 34a_100000210537_100015514636 [0,2,0,0,0,0|2,0,0]=4 2280 B13R1.74 C=CCOc1ccc(cc1)C(=O)C 1458a_100000216320_200000210301 [0,2,0,0,0,0|2,0,0]=4 2281 B13R1.74 C=CCOc1ccc(cc1)C(=O)C 34a_100000185113_100015514636 [0,2,0,0,0,0|2,0,0]=4 2282 B13R1.74 C=CCOc1ccc(cc1)C(=O)C 7a_100000185113_100015514636 [0,2,0,0,0,0|2,0,0]=4 2283 B13R1.74 C=CCOc1ccc(cc1)C(=O)N 34a_100000746352_100015514636 [0,2,0,0,0,0|2,0,0]=4 2284 B13R1.74 C=CCOc1ccc(cc1)C(=O)N 7a_100000746352_100015514636 [0,2,0,0,0,0|2,0,0]=4 2285 B13R1.74 C=CCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000216320_200025704644 [0,2,0,0,0,0|2,0,0]=4 2286 B13R1.74 C=CCSc1ccc(cc1)C(=O)C 62a_100000185465_100000210623 [0,2,0,0,0,0|2,0,0]=4 2287 B13R1.74 C=CCSc1ccc(cc1)C(=O)C 62a_100000210623_100000185465 [0,2,0,0,0,0|2,0,0]=4 2288 B13R1.74 C=CCSc1ccc(cc1)C(=O)N 62a_100000162191_100000210623 [0,2,0,0,0,0|2,0,0]=4 2289 B13R1.74 C=CCSc1ccc(cc1)C(=O)N 62a_100000210623_100000162191 [0,2,0,0,0,0|2,0,0]=4 2290 B13R1.74 CC(=O)c1ccc(cc1)CCS[13CH3] 62a_200000038727_200025704644 [0,2,0,0,0,0|2,0,0]=4 2291 B13R1.74 CC(=O)c1ccc(cc1)CCS[13CH3] 62a_200025704644_200000038727 [0,2,0,0,0,0|2,0,0]=4 2292 B13R1.74 CC(=O)c1ccc(cc1)COCF 7a_100000082505_100015361967 [0,2,0,0,0,0|2,0,0]=4 2293 B13R1.74 CC(=O)c1ccc(cc1)CSCF 62a_100000756337_100015361967 [0,2,0,0,0,0|2,0,0]=4 2294 B13R1.74 CC(=O)c1ccc(cc1)CSCF 62a_100015361967_100000756337 [0,2,0,0,0,0|2,0,0]=4 2295 B13R1.74 CC(=O)c1ccc(cc1)OCC#N 7a_100000185113_100011215382 [0,2,0,0,0,0|1,0,1]=4 2296 B13R1.74 CC(=O)c1ccc(cc1)OCC=O 34a_100000185113_200009817547 [0,2,0,0,0,0|2,0,0]=4 2297 B13R1.74 CC(=O)c1ccc(cc1)OCC=O 7a_100000185113_200015260668 [0,2,0,0,0,0|2,0,0]=4 2298 B13R1.74 CC(=O)c1ccc(cc1)OCCF 34a_100000185113_100011217306 [0,2,0,0,0,0|2,0,0]=4 2299 B13R1.74 CC(=O)c1ccc(cc1)OCCF 7a_100000185113_100011217306 [0,2,0,0,0,0|2,0,0]=4 2300 B13R1.74 CC(=O)c1ccc(cc1)OCCO 1458a_100000217286_200000210301 [0,2,0,0,0,0|2,0,0]=4 2301 B13R1.74 CC(=O)c1ccc(cc1)OCCO 34a_100000185113_100000211926 [0,2,0,0,0,0|2,0,0]=4 2302 B13R1.74 CC(=O)c1ccc(cc1)OCCO 7a_100000185113_100000211926 [0,2,0,0,0,0|2,0,0]=4 2303 B13R1.74 CC(=O)c1ccc(cc1)SCC#N 62a_100000185465_100011215382 [0,2,0,0,0,0|1,0,1]=4 2304 B13R1.74 CC(=O)c1ccc(cc1)SCC#N 62a_100011215382_100000185465 [0,2,0,0,0,0|1,0,1]=4 2305 B13R1.74 CC(=O)c1ccc(cc1)SCC=O 62a_100000185465_200015260668 [0,2,0,0,0,0|2,0,0]=4 2306 B13R1.74 CC(=O)c1ccc(cc1)SCC=O 62a_200015260668_100000185465 [0,2,0,0,0,0|2,0,0]=4 2307 B13R1.74 CC(=O)c1ccc(cc1)SCCF 62a_100000185465_100011217306 [0,2,0,0,0,0|2,0,0]=4 2308 B13R1.74 CC(=O)c1ccc(cc1)SCCF 62a_100011217306_100000185465 [0,2,0,0,0,0|2,0,0]=4 2309 B13R1.74 CC(=O)c1ccc(cc1)SCCO 1458a_200000182347_200000210301 [0,2,0,0,0,0|2,0,0]=4 2310 B13R1.74 CC(=O)c1ccc(cc1)SCCO 62a_100000185465_100000211926 [0,2,0,0,0,0|2,0,0]=4 2311 B13R1.74 CC(=O)c1ccc(cc1)SCCO 62a_100000211926_100000185465 [0,2,0,0,0,0|2,0,0]=4 2312 B13R1.74 CC(O)c1ccc(cc1)CNCF 34a_200000048501_100015361967 [0,2,0,0,0,0|1,0,1]=4 2313 B13R1.74 CCCCc1ccc(cc1)C(=O)C 1458a_100000186158_200000210301 [0,2,0,0,0,0|2,0,0]=4 2314 B13R1.74 CCCCc1ccc(cc1)C(=O)C 271570a_100020621405_100000185465 [0,2,0,0,0,0|2,0,0]=4 2315 B13R1.74 CCCCc1ccc(cc1)C(=O)N 271570a_100020621405_100000162191 [0,2,0,0,0,0|2,0,0]=4 2316 B13R1.74 CCCCc1ccc(cc1)C(=O)[13CH3] 1458a_100000186158_200025704644 [0,2,0,0,0,0|2,0,0]=4 2317 B13R1.74 CCCNc1ccc(cc1)C(=O)N 34a_100000210537_100000210303 [0,2,0,0,0,0|2,0,0]=4 2318 B13R1.74 CCCOc1ccc(cc1)C(=O)C 1458a_100000182924_200000210301 [0,2,0,0,0,0|2,0,0]=4 2319 B13R1.74 CCCOc1ccc(cc1)C(=O)C 34a_100000185113_100000210303 [0,2,0,0,0,0|2,0,0]=4 2320 B13R1.74 CCCOc1ccc(cc1)C(=O)C 7a_100000185113_100000210303 [0,2,0,0,0,0|2,0,0]=4 2321 B13R1.74 CCCOc1ccc(cc1)C(=O)N 34a_100000746352_100000210303 [0,2,0,0,0,0|2,0,0]=4 2322 B13R1.74 CCCOc1ccc(cc1)C(=O)N 7a_100000746352_100000210303 [0,2,0,0,0,0|2,0,0]=4 2323 B13R1.74 CCCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000182924_200025704644 [0,2,0,0,0,0|2,0,0]=4 2324 B13R1.74 CCCSc1ccc(cc1)C(=O)C 62a_100000185465_100000210303 [0,2,0,0,0,0|2,0,0]=4 2325 B13R1.74 CCCSc1ccc(cc1)C(=O)C 62a_100000210303_100000185465 [0,2,0,0,0,0|2,0,0]=4 2326 B13R1.74 CCCSc1ccc(cc1)C(=O)N 62a_100000162191_100000210303 [0,2,0,0,0,0|2,0,0]=4 2327 B13R1.74 CCCSc1ccc(cc1)C(=O)N 62a_100000210303_100000162191 [0,2,0,0,0,0|2,0,0]=4 2328 B13R1.74 CCNCc1ccc(cc1)B(O)O 2230a_100015525214_100009813762 [0,2,0,0,0,0|1,0,1]=4 2329 B13R1.74 CCNCc1ccc(cc1)C(=O)C 2230a_100015525214_100000756337 [0,2,0,0,0,0|1,0,0]=3 2330 B13R1.74 CCNCc1ccc(cc1)C(=O)N 207a_100015525214_100000038677 [0,2,0,0,0,0|1,0,0]=3 2331 B13R1.74 CCNCc1ccc(cc1)C(=O)N 2230a_100015525214_100000231043 [0,2,0,0,0,0|1,0,0]=3 2332 B13R1.74 CCNCc1ccc(cc1)C(=O)N 270004a_100015525214_100000038677 [0,2,0,0,0,0|1,0,0]=3 2333 B13R1.74 CCNCc1ccc(cc1)C(=O)O 269956a_100000181780_100000210202 [0,2,0,0,0,0|0,0,0]=2 2334 B13R1.74 CCNCc1ccc(cc1)C(C)O 2230a_200000048501_100000210202 [0,2,0,0,0,0|1,0,1]=4 2335 B13R1.74 CCNCc1ccc(cc1)C(C)O 34a_200000048501_100000210202 [0,2,0,0,0,0|1,0,1]=4 2336 B13R1.74 CCNCc1ccc(cc1)[N+](=O)[O-] 207a_100015525214_100000189386 [0,2,0,0,0,0|1,0,1]=4 2337 B13R1.74 CCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_100000210202 [0,2,0,0,0,0|1,0,1]=4 2338 B13R1.74 CCNCc1ccc(cc1)[N+](=O)[O-] 2230a_100015525214_100000181861 [0,2,0,0,0,0|1,0,1]=4 2339 B13R1.74 CCNCc1ccc(cc1)[N+](=O)[O-] 270004a_100015525214_100000189386 [0,2,0,0,0,0|1,0,1]=4 2340 B13R1.74 CCNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_100000210202 [0,2,0,0,0,0|1,0,1]=4 2341 B13R1.74 CCNCc1ccc(nc1)C(=O)O 269956a_100000762669_100000210202 [0,2,0,0,0,0|1,0,0]=3 2342 B13R1.74 CCOCc1ccc(cc1)C(=O)C 34a_100121572206_100000756337 [0,2,0,0,0,0|2,0,0]=4 2343 B13R1.74 CCOCc1ccc(cc1)C(=O)C 7a_100000082505_100000210202 [0,2,0,0,0,0|2,0,0]=4 2344 B13R1.74 CCOCc1ccc(cc1)C(=O)N 34a_100000162016_100000210202 [0,2,0,0,0,0|2,0,0]=4 2345 B13R1.74 CCOCc1ccc(cc1)C(=O)N 34a_100121572206_100000231043 [0,2,0,0,0,0|2,0,0]=4 2346 B13R1.74 CCOCc1ccc(cc1)C(=O)N 7a_100000162016_100000210202 [0,2,0,0,0,0|2,0,0]=4 2347 B13R1.74 CCSCc1ccc(cc1)C(=O)C 1458a_100000193729_200000210301 [0,2,0,0,0,0|2,0,0]=4 2348 B13R1.74 CCSCc1ccc(cc1)C(=O)C 62a_100000210202_100000756337 [0,2,0,0,0,0|2,0,0]=4 2349 B13R1.74 CCSCc1ccc(cc1)C(=O)C 62a_100000756337_100000210202 [0,2,0,0,0,0|2,0,0]=4 2350 B13R1.74 CCSCc1ccc(cc1)C(=O)N 62a_100000210202_100000231043 [0,2,0,0,0,0|2,0,0]=4 2351 B13R1.74 CCSCc1ccc(cc1)C(=O)N 62a_100000231043_100000210202 [0,2,0,0,0,0|2,0,0]=4 2352 B13R1.74 CCSCc1ccc(cc1)C(=O)[13CH3] 1458a_100000193729_200025704644 [0,2,0,0,0,0|2,0,0]=4 2353 B13R1.74 CNCCc1ccc(cc1)C(=O)C 2230a_106832991635_200000038727 [0,2,0,0,0,0|1,0,0]=3 2354 B13R1.74 CNCCc1ccc(cc1)C(=O)C 34a_100102657272_200000038727 [0,2,0,0,0,0|1,0,0]=3 2355 B13R1.74 CNCCc1ccc(cc1)C(=O)C 7a_106832991635_200000038727 [0,2,0,0,0,0|1,0,0]=3 2356 B13R1.74 CNCCc1ccc(cc1)C(=O)O 269956a_100000704756_200000210301 [0,2,0,0,0,0|0,0,0]=2 2357 B13R1.74 CNCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000744123_200000210301 [0,2,0,0,0,0|1,0,1]=4 2358 B13R1.74 CNCCc1ccc(cc1)[N+](=O)[O-] 2230a_106832991635_100000736421 [0,2,0,0,0,0|1,0,1]=4 2359 B13R1.74 CNCCc1ccc(cc1)[N+](=O)[O-] 34a_100000744123_200000210301 [0,2,0,0,0,0|1,0,1]=4 2360 B13R1.74 CNCCc1ccc(cc1)[N+](=O)[O-] 34a_100102657272_100000736421 [0,2,0,0,0,0|1,0,1]=4 2361 B13R1.74 CNCCc1ccc(cc1)[N+](=O)[O-] 7a_106832991635_100000736421 [0,2,0,0,0,0|1,0,1]=4 2362 B13R1.74 COCCc1ccc(cc1)C(=O)C 34a_100138415774_200000038727 [0,2,0,0,0,0|2,0,0]=4 2363 B13R1.74 COCOc1ccc(cc1)C(=O)C 1458a_100000230389_200000210301 [0,2,0,0,0,0|2,0,0]=4 2364 B13R1.74 COCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000230389_200025704644 [0,2,0,0,0,0|2,0,0]=4 2365 B13R1.74 COCSc1ccc(cc1)C(=O)C 62a_100000185465_100000766300 [0,2,0,0,0,0|2,0,0]=4 2366 B13R1.74 COCSc1ccc(cc1)C(=O)C 62a_100000766300_100000185465 [0,2,0,0,0,0|2,0,0]=4 2367 B13R1.74 COCSc1ccc(cc1)C(=O)N 62a_100000162191_100000766300 [0,2,0,0,0,0|2,0,0]=4 2368 B13R1.74 COCSc1ccc(cc1)C(=O)N 62a_100000766300_100000162191 [0,2,0,0,0,0|2,0,0]=4 2369 B13R1.74 CSCCc1ccc(cc1)C(=O)C 62a_200000038727_200000210301 [0,2,0,0,0,0|2,0,0]=4 2370 B13R1.74 CSCCc1ccc(cc1)C(=O)C 62a_200000210301_200000038727 [0,2,0,0,0,0|2,0,0]=4 2371 B13R1.74 CSCNc1ccc(cc1)C(=O)N 34a_100000210537_100011218213 [0,2,0,0,0,0|2,0,0]=4 2372 B13R1.74 CSCOc1ccc(cc1)C(=O)C 34a_100000185113_100011218213 [0,2,0,0,0,0|2,0,0]=4 2373 B13R1.74 CSCOc1ccc(cc1)C(=O)N 34a_100000746352_100011218213 [0,2,0,0,0,0|2,0,0]=4 2374 B13R1.74 CSCSc1ccc(cc1)C(=O)C 62a_100000185465_100011218213 [0,2,0,0,0,0|2,0,0]=4 2375 B13R1.74 CSCSc1ccc(cc1)C(=O)C 62a_100011218213_100000185465 [0,2,0,0,0,0|2,0,0]=4 2376 B13R1.74 CSCSc1ccc(cc1)C(=O)N 62a_100000162191_100011218213 [0,2,0,0,0,0|2,0,0]=4 2377 B13R1.74 CSCSc1ccc(cc1)C(=O)N 62a_100011218213_100000162191 [0,2,0,0,0,0|2,0,0]=4 2378 B13R1.74 N#CCOc1ccc(cc1)C(=O)N 7a_100000746352_100011215382 [0,2,0,0,0,0|1,0,1]=4 2379 B13R1.74 N#CCSc1ccc(cc1)C(=O)N 62a_100000162191_100011215382 [0,2,0,0,0,0|1,0,1]=4 2380 B13R1.74 N#CCSc1ccc(cc1)C(=O)N 62a_100011215382_100000162191 [0,2,0,0,0,0|1,0,1]=4 2381 B13R1.74 NC(=O)c1ccc(cc1)COCF 34a_100000162016_100015361967 [0,2,0,0,0,0|2,0,0]=4 2382 B13R1.74 NC(=O)c1ccc(cc1)COCF 7a_100000162016_100015361967 [0,2,0,0,0,0|2,0,0]=4 2383 B13R1.74 NC(=O)c1ccc(cc1)CSCF 62a_100000231043_100015361967 [0,2,0,0,0,0|2,0,0]=4 2384 B13R1.74 NC(=O)c1ccc(cc1)CSCF 62a_100015361967_100000231043 [0,2,0,0,0,0|2,0,0]=4 2385 B13R1.74 NC(=O)c1ccc(cc1)NCC=O 34a_100000210537_200009817547 [0,2,0,0,0,0|2,0,0]=4 2386 B13R1.74 NC(=O)c1ccc(cc1)NCCF 34a_100000210537_100011217306 [0,2,0,0,0,0|2,0,0]=4 2387 B13R1.74 NC(=O)c1ccc(cc1)NCCO 27a_100000210304_100000162191 [0,2,0,0,0,0|2,0,0]=4 2388 B13R1.74 NC(=O)c1ccc(cc1)NCCO 34a_100000210537_100000211926 [0,2,0,0,0,0|2,0,0]=4 2389 B13R1.74 NC(=O)c1ccc(cc1)OCC=O 34a_100000746352_200009817547 [0,2,0,0,0,0|2,0,0]=4 2390 B13R1.74 NC(=O)c1ccc(cc1)OCC=O 7a_100000746352_200015260668 [0,2,0,0,0,0|2,0,0]=4 2391 B13R1.74 NC(=O)c1ccc(cc1)OCCF 34a_100000746352_100011217306 [0,2,0,0,0,0|2,0,0]=4 2392 B13R1.74 NC(=O)c1ccc(cc1)OCCF 7a_100000746352_100011217306 [0,2,0,0,0,0|2,0,0]=4 2393 B13R1.74 NC(=O)c1ccc(cc1)OCCO 34a_100000746352_100000211926 [0,2,0,0,0,0|2,0,0]=4 2394 B13R1.74 NC(=O)c1ccc(cc1)OCCO 7a_100000746352_100000211926 [0,2,0,0,0,0|2,0,0]=4 2395 B13R1.74 NC(=O)c1ccc(cc1)SCC=O 62a_100000162191_200015260668 [0,2,0,0,0,0|2,0,0]=4 2396 B13R1.74 NC(=O)c1ccc(cc1)SCC=O 62a_200015260668_100000162191 [0,2,0,0,0,0|2,0,0]=4 2397 B13R1.74 NC(=O)c1ccc(cc1)SCCF 62a_100000162191_100011217306 [0,2,0,0,0,0|2,0,0]=4 2398 B13R1.74 NC(=O)c1ccc(cc1)SCCF 62a_100011217306_100000162191 [0,2,0,0,0,0|2,0,0]=4 2399 B13R1.74 NC(=O)c1ccc(cc1)SCCO 62a_100000162191_100000211926 [0,2,0,0,0,0|2,0,0]=4 2400 B13R1.74 NC(=O)c1ccc(cc1)SCCO 62a_100000211926_100000162191 [0,2,0,0,0,0|2,0,0]=4 2401 B13R1.74 O=C(O)c1ccc(cc1)CNCF 269956a_100000181780_100015361967 [0,2,0,0,0,0|0,0,0]=2 2402 B13R1.74 O=C(O)c1ccc(cn1)CNCF 269956a_100000762669_100015361967 [0,2,0,0,0,0|1,0,0]=3 2403 B13R1.74 O=[N+]([O-])c1ccc(cc1)CNCF 34a_100000742766_100015361967 [0,2,0,0,0,0|1,0,1]=4 2404 B13R1.74 [13CH3]C(=O)c1ccc(cc1)OCCO 1458a_100000217286_200025704644 [0,2,0,0,0,0|2,0,0]=4 2405 B13R1.74 [13CH3]C(=O)c1ccc(cc1)SCCO 1458a_200000182347_200025704644 [0,2,0,0,0,0|2,0,0]=4 2406 B13R1.74 [13CH3]NCCc1ccc(cc1)C(=O)O 269956a_100000704756_200025704644 [0,2,0,0,0,0|0,0,0]=2 2407 B13R1.74 [13CH3]NCCc1ccc(cc1)[N+](=O)[O-] 2230a_100000744123_200025704644 [0,2,0,0,0,0|1,0,1]=4 2408 B13R1.74 [13CH3]NCCc1ccc(cc1)[N+](=O)[O-] 34a_100000744123_200025704644 [0,2,0,0,0,0|1,0,1]=4 2409 B13R1.385 CC(=O)c1ccc(cc1Br)OCF 34a_100012340537_100015361967 [0,2,0,0,0,0|2,0,0]=4 2410 B13R1.385 CC(=O)c1ccc(cc1Br)OCF 7a_100012340537_100015361967 [0,2,0,0,0,0|2,0,0]=4 2411 B13R1.385 CC(=O)c1ccc(cc1C)OCF 34a_100000702595_100015361967 [0,2,0,0,0,0|2,0,0]=4 2412 B13R1.385 CC(=O)c1ccc(cc1C)OCF 7a_100000702595_100015361967 [0,2,0,0,0,0|2,0,0]=4 2413 B13R1.385 CC(=O)c1ccc(cc1C)SCF 62a_100012360112_100015361967 [0,2,0,0,0,0|2,0,0]=4 2414 B13R1.385 CC(=O)c1ccc(cc1C)SCF 62a_100015361967_100012360112 [0,2,0,0,0,0|2,0,0]=4 2415 B13R1.385 CC(=O)c1ccc(cc1Cl)OCF 34a_100011933989_100015361967 [0,2,0,0,0,0|2,0,0]=4 2416 B13R1.385 CC(=O)c1ccc(cc1Cl)OCF 7a_100011933989_100015361967 [0,2,0,0,0,0|2,0,0]=4 2417 B13R1.385 CC(=O)c1ccc(cc1F)OCF 34a_100000752407_100015361967 [0,2,0,0,0,0|2,0,0]=4 2418 B13R1.385 CC(=O)c1ccc(cc1F)OCF 7a_100000752407_100015361967 [0,2,0,0,0,0|2,0,0]=4 2419 B13R1.385 CC(=O)c1ccc(cc1F)SCF 62a_100000690205_100015361967 [0,2,0,0,0,0|2,0,0]=4 2420 B13R1.385 CC(=O)c1ccc(cc1N)SCF 62a_100011590516_100015361967 [0,2,0,0,0,0|2,0,0]=4 2421 B13R1.385 CCNc1ccc(c(c1)Br)C(=O)N 27a_100015525214_200010146565 [0,2,0,0,0,0|2,0,0]=4 2422 B13R1.385 CCNc1ccc(c(c1)C)C(=O)N 27a_100015525214_100011327924 [0,2,0,0,0,0|2,0,0]=4 2423 B13R1.385 CCNc1ccc(c(c1)C)C(=O)N 34a_200000751758_100000210202 [0,2,0,0,0,0|2,0,0]=4 2424 B13R1.385 CCNc1ccc(c(c1)C)C(=O)N 7a_200000751758_100000210202 [0,2,0,0,0,0|2,0,0]=4 2425 B13R1.385 CCNc1ccc(c(c1)Cl)C(=O)N 34a_100000737725_100000210202 [0,2,0,0,0,0|2,0,0]=4 2426 B13R1.385 CCNc1ccc(c(c1)Cl)C(=O)N 7a_100000737725_100000210202 [0,2,0,0,0,0|2,0,0]=4 2427 B13R1.385 CCNc1ccc(c(c1)F)C(=O)C 27a_100015525214_100000690205 [0,2,0,0,0,0|2,0,0]=4 2428 B13R1.385 CCNc1ccc(c(c1)F)C(=O)N 27a_100015525214_100000216903 [0,2,0,0,0,0|2,0,0]=4 2429 B13R1.385 CCNc1ccc(c(c1)F)C(=O)N 34a_100000749959_100000210202 [0,2,0,0,0,0|2,0,0]=4 2430 B13R1.385 CCNc1ccc(c(c1)F)C(=O)N 7a_100000749959_100000210202 [0,2,0,0,0,0|2,0,0]=4 2431 B13R1.385 CCNc1ccc(c(c1)O)C(=O)N 34a_100000223280_100000210202 [0,2,0,0,0,0|2,0,0]=4 2432 B13R1.385 CCNc1ccc(c(c1)O)C(=O)N 7a_100000223280_100000210202 [0,2,0,0,0,0|2,0,0]=4 2433 B13R1.385 CCOc1ccc(c(c1)Br)C(=O)C 34a_100012340537_100000210202 [0,2,0,0,0,0|2,0,0]=4 2434 B13R1.385 CCOc1ccc(c(c1)Br)C(=O)C 7a_100012340537_100000210202 [0,2,0,0,0,0|2,0,0]=4 2435 B13R1.385 CCOc1ccc(c(c1)C)C(=O)C 1458a_200012183785_200000210301 [0,2,0,0,0,0|2,0,0]=4 2436 B13R1.385 CCOc1ccc(c(c1)C)C(=O)C 34a_100000702595_100000210202 [0,2,0,0,0,0|2,0,0]=4 2437 B13R1.385 CCOc1ccc(c(c1)C)C(=O)C 7a_100000702595_100000210202 [0,2,0,0,0,0|2,0,0]=4 2438 B13R1.385 CCOc1ccc(c(c1)C)C(=O)[13CH3] 1458a_200012183785_200025704644 [0,2,0,0,0,0|2,0,0]=4 2439 B13R1.385 CCOc1ccc(c(c1)Cl)C(=O)C 34a_100011933989_100000210202 [0,2,0,0,0,0|2,0,0]=4 2440 B13R1.385 CCOc1ccc(c(c1)Cl)C(=O)C 7a_100011933989_100000210202 [0,2,0,0,0,0|2,0,0]=4 2441 B13R1.385 CCOc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_100000210202 [0,2,0,0,0,0|2,0,0]=4 2442 B13R1.385 CCOc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_100000210202 [0,2,0,0,0,0|2,0,0]=4 2443 B13R1.385 CCOc1ccc(c(c1)F)C(=O)C 1458a_100012184274_200000210301 [0,2,0,0,0,0|2,0,0]=4 2444 B13R1.385 CCOc1ccc(c(c1)F)C(=O)C 34a_100000752407_100000210202 [0,2,0,0,0,0|2,0,0]=4 2445 B13R1.385 CCOc1ccc(c(c1)F)C(=O)C 7a_100000752407_100000210202 [0,2,0,0,0,0|2,0,0]=4 2446 B13R1.385 CCOc1ccc(c(c1)F)C(=O)N 34a_200012186767_100000210202 [0,2,0,0,0,0|2,0,0]=4 2447 B13R1.385 CCOc1ccc(c(c1)F)C(=O)N 7a_200012186767_100000210202 [0,2,0,0,0,0|2,0,0]=4 2448 B13R1.385 CCOc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100012184274_200025704644 [0,2,0,0,0,0|2,0,0]=4 2449 B13R1.385 CCOc1ccc(c(c1)N)C(=O)N 34a_100012186684_100000210202 [0,2,0,0,0,0|2,0,0]=4 2450 B13R1.385 CCOc1ccc(c(c1)N)C(=O)N 7a_100012186684_100000210202 [0,2,0,0,0,0|2,0,0]=4 2451 B13R1.385 CCOc1ccc(c(c1)O)C(=O)C 1458a_200000049073_200000210301 [0,2,0,0,0,0|2,0,0]=4 2452 B13R1.385 CCOc1ccc(c(c1)O)C(=O)[13CH3] 1458a_200000049073_200025704644 [0,2,0,0,0,0|2,0,0]=4 2453 B13R1.385 CCSc1ccc(c(c1)Br)C(=O)N 62a_200010146565_100000210202 [0,2,0,0,0,0|2,0,0]=4 2454 B13R1.385 CCSc1ccc(c(c1)C)C(=O)C 62a_100000210202_100012360112 [0,2,0,0,0,0|2,0,0]=4 2455 B13R1.385 CCSc1ccc(c(c1)C)C(=O)C 62a_100012360112_100000210202 [0,2,0,0,0,0|2,0,0]=4 2456 B13R1.385 CCSc1ccc(c(c1)C)C(=O)N 62a_100000210202_100011327924 [0,2,0,0,0,0|2,0,0]=4 2457 B13R1.385 CCSc1ccc(c(c1)C)C(=O)N 62a_100011327924_100000210202 [0,2,0,0,0,0|2,0,0]=4 2458 B13R1.385 CCSc1ccc(c(c1)F)C(=O)C 62a_100000690205_100000210202 [0,2,0,0,0,0|2,0,0]=4 2459 B13R1.385 CCSc1ccc(c(c1)F)C(=O)N 62a_100000216903_100000210202 [0,2,0,0,0,0|2,0,0]=4 2460 B13R1.385 CCSc1ccc(c(c1)N)C(=O)C 62a_100011590516_100000210202 [0,2,0,0,0,0|2,0,0]=4 2461 B13R1.385 CCSc1ccc(c(c1)N)C(=O)N 62a_100012349972_100000210202 [0,2,0,0,0,0|2,0,0]=4 2462 B13R1.385 CCSc1ccc(c(c1)O)C(=O)N 62a_100011550861_100000210202 [0,2,0,0,0,0|2,0,0]=4 2463 B13R1.385 CNCc1ccc(c(c1)Br)C(=O)C 26a_100102657272_100012340537 [0,2,0,0,0,0|1,0,0]=3 2464 B13R1.385 CNCc1ccc(c(c1)Br)[N+](=O)[O-] 26a_100102657272_100012356988 [0,2,0,0,0,0|1,0,1]=4 2465 B13R1.385 CNCc1ccc(c(c1)Br)[N+](=O)[O-] 270004a_106832991635_100009998837 [0,2,0,0,0,0|1,0,1]=4 2466 B13R1.385 CNCc1ccc(c(c1)C)[N+](=O)[O-] 207a_100102657272_100000050484 [0,2,0,0,0,0|1,0,1]=4 2467 B13R1.385 CNCc1ccc(c(c1)C)[N+](=O)[O-] 2230a_106832991635_100009816690 [0,2,0,0,0,0|1,0,1]=4 2468 B13R1.385 CNCc1ccc(c(c1)C)[N+](=O)[O-] 270004a_106832991635_100000050484 [0,2,0,0,0,0|1,0,1]=4 2469 B13R1.385 CNCc1ccc(c(c1)C)[N+](=O)[O-] 34a_100102657272_100009816690 [0,2,0,0,0,0|1,0,1]=4 2470 B13R1.385 CNCc1ccc(c(c1)C)[N+](=O)[O-] 7a_106832991635_100009816690 [0,2,0,0,0,0|1,0,1]=4 2471 B13R1.385 CNCc1ccc(c(c1)Cl)C(=O)C 26a_100102657272_100011933989 [0,2,0,0,0,0|1,0,0]=3 2472 B13R1.385 CNCc1ccc(c(c1)Cl)[N+](=O)[O-] 26a_100102657272_100000746235 [0,2,0,0,0,0|1,0,1]=4 2473 B13R1.385 CNCc1ccc(c(c1)Cl)[N+](=O)[O-] 270004a_106832991635_100000070945 [0,2,0,0,0,0|1,0,1]=4 2474 B13R1.385 CNCc1ccc(c(c1)F)[N+](=O)[O-] 2230a_106832991635_100000687068 [0,2,0,0,0,0|1,0,1]=4 2475 B13R1.385 CNCc1ccc(c(c1)F)[N+](=O)[O-] 270004a_106832991635_100011934122 [0,2,0,0,0,0|1,0,1]=4 2476 B13R1.385 CNCc1ccc(c(c1)F)[N+](=O)[O-] 34a_100102657272_100000687068 [0,2,0,0,0,0|1,0,1]=4 2477 B13R1.385 CNCc1ccc(c(c1)F)[N+](=O)[O-] 7a_106832991635_100000687068 [0,2,0,0,0,0|1,0,1]=4 2478 B13R1.385 Cc1cc(ccc1C(=O)N)NCF 34a_200000751758_100015361967 [0,2,0,0,0,0|2,0,0]=4 2479 B13R1.385 Cc1cc(ccc1C(=O)N)NCF 7a_200000751758_100015361967 [0,2,0,0,0,0|2,0,0]=4 2480 B13R1.385 Cc1cc(ccc1C(=O)N)SCF 62a_100011327924_100015361967 [0,2,0,0,0,0|2,0,0]=4 2481 B13R1.385 Cc1cc(ccc1C(=O)N)SCF 62a_100015361967_100011327924 [0,2,0,0,0,0|2,0,0]=4 2482 B13R1.385 NC(=O)c1ccc(cc1Br)SCF 62a_200010146565_100015361967 [0,2,0,0,0,0|2,0,0]=4 2483 B13R1.385 NC(=O)c1ccc(cc1Cl)NCF 34a_100000737725_100015361967 [0,2,0,0,0,0|2,0,0]=4 2484 B13R1.385 NC(=O)c1ccc(cc1Cl)NCF 7a_100000737725_100015361967 [0,2,0,0,0,0|2,0,0]=4 2485 B13R1.385 NC(=O)c1ccc(cc1Cl)OCF 34a_100011997949_100015361967 [0,2,0,0,0,0|2,0,0]=4 2486 B13R1.385 NC(=O)c1ccc(cc1Cl)OCF 7a_100011997949_100015361967 [0,2,0,0,0,0|2,0,0]=4 2487 B13R1.385 NC(=O)c1ccc(cc1F)NCF 34a_100000749959_100015361967 [0,2,0,0,0,0|2,0,0]=4 2488 B13R1.385 NC(=O)c1ccc(cc1F)NCF 7a_100000749959_100015361967 [0,2,0,0,0,0|2,0,0]=4 2489 B13R1.385 NC(=O)c1ccc(cc1F)OCF 34a_200012186767_100015361967 [0,2,0,0,0,0|2,0,0]=4 2490 B13R1.385 NC(=O)c1ccc(cc1F)OCF 7a_200012186767_100015361967 [0,2,0,0,0,0|2,0,0]=4 2491 B13R1.385 NC(=O)c1ccc(cc1F)SCF 62a_100000216903_100015361967 [0,2,0,0,0,0|2,0,0]=4 2492 B13R1.385 NC(=O)c1ccc(cc1N)OCF 34a_100012186684_100015361967 [0,2,0,0,0,0|2,0,0]=4 2493 B13R1.385 NC(=O)c1ccc(cc1N)OCF 7a_100012186684_100015361967 [0,2,0,0,0,0|2,0,0]=4 2494 B13R1.385 NC(=O)c1ccc(cc1N)SCF 62a_100012349972_100015361967 [0,2,0,0,0,0|2,0,0]=4 2495 B13R1.385 NC(=O)c1ccc(cc1O)NCF 34a_100000223280_100015361967 [0,2,0,0,0,0|2,0,0]=4 2496 B13R1.385 NC(=O)c1ccc(cc1O)NCF 7a_100000223280_100015361967 [0,2,0,0,0,0|2,0,0]=4 2497 B13R1.385 NC(=O)c1ccc(cc1O)SCF 62a_100011550861_100015361967 [0,2,0,0,0,0|2,0,0]=4 2498 B13R1.99 C=C(C)c1ccc(cc1C#N)CN 271570a_100000694244_100009846983 [0,2,0,0,0,0|2,0,0]=4 2499 B11R2.190 C=Cc1ccc2c(c1)CC2 271570a_100011290941_100009818592 [1,0,0,1,0,0|2,0,0]=4 2500 B13R2.2121 C=Cc1ccc2[nH]c(=O)oc2c1 271570a_100011290941_100000697996 [0,0,0,1,0,1|1,0,1]=4 2501 B13R2.2121 COc1ccc2[nH]c(=O)oc2c1 7a_200000068749_200000210301 [0,0,0,1,0,1|2,0,0]=4 2502 B13R2.2121 CSc1ccc2[nH]c(=O)oc2c1 62a_200000210301_100000697996 [0,0,0,1,0,1|2,0,0]=4 2503 B13R2.2121 [13CH3]Oc1ccc2[nH]c(=O)oc2c1 7a_200000068749_200025704644 [0,0,0,1,0,1|2,0,0]=4 2504 B13R2.2121 [13CH3]Sc1ccc2[nH]c(=O)oc2c1 62a_200025704644_100000697996 [0,0,0,1,0,1|2,0,0]=4 2505 B13R2.1139 CCC(=O)c1ccc2c(c1)CC2 1458a_100000137882_100000210202 [0,1,0,1,0,0|2,0,0]=4 2506 B13R2.1139 CNC(=O)c1ccc2c(c1)CC2 11a_106832991635_100000137882 [0,1,0,1,0,0|2,0,0]=4 2507 B13R2.1139 CNC(=O)c1ccc2c(c1)CC2 1626a_100102657272_100000137882 [0,1,0,1,0,0|2,0,0]=4 2508 B13R2.1139 CNC(=O)c1ccc2c(c1)CC2 240690a_100102657272_100000137882 [0,1,0,1,0,0|2,0,0]=4 2509 B13R2.1139 CNC(=O)c1ccc2c(c1)CC2 527a_100102657272_100000137882 [0,1,0,1,0,0|2,0,0]=4 2510 B13R2.1139 O=C(CF)c1ccc2c(c1)CC2 1458a_100000137882_100015361967 [0,1,0,1,0,0|2,0,0]=4 2511 B13R2.2130 C=Cc1ccc2c(c1)COC2=O 271570a_100011290941_100009816608 [0,1,0,1,0,0|1,0,1]=4 2512 B13R2.2130 C=Cc1ccc2c(c1)OCC2=O 271570a_100011290941_100000686717 [0,1,0,1,0,0|1,0,1]=4 2513 B13R2.2130 COc1ccc2c(c1)COC2=O 7a_100000044543_200000210301 [0,1,0,1,0,0|2,0,0]=4 2514 B13R2.2130 CSc1ccc2c(c1)COC2=O 62a_100009816608_200000210301 [0,1,0,1,0,0|2,0,0]=4 2515 B13R2.2130 CSc1ccc2c(c1)OCC2=O 62a_200000210301_100000686717 [0,1,0,1,0,0|2,0,0]=4 2516 B13R2.2130 [13CH3]Oc1ccc2c(c1)COC2=O 7a_100000044543_200025704644 [0,1,0,1,0,0|2,0,0]=4 2517 B13R2.2130 [13CH3]Sc1ccc2c(c1)COC2=O 62a_100009816608_200025704644 [0,1,0,1,0,0|2,0,0]=4 2518 B13R2.2130 [13CH3]Sc1ccc2c(c1)OCC2=O 62a_200025704644_100000686717 [0,1,0,1,0,0|2,0,0]=4 2519 B13R2.430 C=C(C)c1ccc2c(c1)CNC2 271570a_100000694244_100000702344 [0,1,0,1,0,0|2,0,0]=4 2520 B13R2.430 C=C(C)c1ccc2c(c1)NCC2 271570a_100000694244_100000754641 [0,1,0,1,0,0|2,0,0]=4 2521 B13R2.430 CC(=O)c1ccc2c(c1)CCC2 1458a_100000195560_200000210301 [0,1,0,1,0,0|2,0,0]=4 2522 B13R2.430 CC(=O)c1ccc2c(c1)CCO2 1458a_100011207309_200000210301 [0,1,0,1,0,0|2,0,0]=4 2523 B13R2.430 CC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200000210301 [0,1,0,1,0,0|2,0,0]=4 2524 B13R2.430 CC(=O)c1ccc2cc[nH]c2c1 1458a_100000739399_200000210301 [0,1,0,1,0,0|1,0,1]=4 2525 B13R2.430 CC(=O)c1ccc2cn[nH]c2c1 1458a_102516607281_200000210301 [0,1,0,1,0,0|1,0,1]=4 2526 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)CCC2 1458a_100000195560_200025704644 [0,1,0,1,0,0|2,0,0]=4 2527 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)CCO2 1458a_100011207309_200025704644 [0,1,0,1,0,0|2,0,0]=4 2528 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200025704644 [0,1,0,1,0,0|2,0,0]=4 2529 B13R2.430 [13CH3]C(=O)c1ccc2cc[nH]c2c1 1458a_100000739399_200025704644 [0,1,0,1,0,0|1,0,1]=4 2530 B13R2.430 [13CH3]C(=O)c1ccc2cn[nH]c2c1 1458a_102516607281_200025704644 [0,1,0,1,0,0|1,0,1]=4 2531 B13R2.428 CC(=O)c1ccc(cc1)C2CC2 1458a_100011688853_200000210301 [0,1,0,1,0,0|2,0,0]=4 2532 B13R2.428 CC(=O)c1ccc(cc1)C2CC2 271570a_100011220607_100000185465 [0,1,0,1,0,0|2,0,0]=4 2533 B13R2.428 NC(=O)c1ccc(cc1)C2CC2 271570a_100011220607_100000162191 [0,1,0,1,0,0|2,0,0]=4 2534 B13R2.428 [13CH3]C(=O)c1ccc(cc1)C2CC2 1458a_100011688853_200025704644 [0,1,0,1,0,0|2,0,0]=4 2535 B9R1.21 C=Cc1ccc(o1)CN 271570a_100011290941_100000708654 [1,0,0,0,1,0|2,0,0]=4 2536 B9R1.21 C=Cc1ccc(s1)CN 271570a_100011290941_100000737305 [1,0,0,0,1,0|2,0,0]=4 2537 B11R1.20 CC(=Cc1ccc(cc1)C)C 271570a_100102525489_100000186775 [1,0,0,0,0,1|2,0,0]=4 2538 B11R1.20 CC(=Cc1ccc(cc1)N)C 271570a_100102525489_100000185761 [1,0,0,0,0,1|2,0,0]=4 2539 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [1,0,0,0,0,1|2,0,0]=4 2540 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [1,0,0,0,0,1|2,0,0]=4 2541 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [1,0,0,0,0,1|1,0,0]=3 2542 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [1,0,0,0,0,1|1,0,0]=3 2543 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [1,0,0,0,0,1|2,0,0]=4 2544 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [1,0,0,0,0,1|2,0,0]=4 2545 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [1,0,0,0,0,1|2,0,0]=4 2546 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [1,0,0,0,0,1|2,0,0]=4 2547 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [1,0,0,0,0,1|2,0,0]=4 2548 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [1,0,0,0,0,1|2,0,0]=4 2549 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [1,0,0,0,0,1|2,0,0]=4 2550 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [1,0,0,0,0,1|2,0,0]=4 2551 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100000070787_100000691093 [1,0,0,0,0,1|2,0,0]=4 2552 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100025705728_200000210301 [1,0,0,0,0,1|2,0,0]=4 2553 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000070787_100016987292 [1,0,0,0,0,1|2,0,0]=4 2554 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000740413_200000210301 [1,0,0,0,0,1|2,0,0]=4 2555 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [1,0,0,0,0,1|2,0,0]=4 2556 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [1,0,0,0,0,1|2,0,0]=4 2557 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [1,0,0,0,0,1|2,0,0]=4 2558 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [1,0,0,0,0,1|2,0,0]=4 2559 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [1,0,0,0,0,1|1,0,0]=3 2560 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [1,0,0,0,0,1|1,0,0]=3 2561 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [1,0,0,0,0,1|1,0,0]=3 2562 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [1,0,0,0,0,1|1,0,0]=3 2563 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [1,0,0,0,0,1|2,0,0]=4 2564 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [1,0,0,0,0,1|2,0,0]=4 2565 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [1,0,0,0,0,1|2,0,0]=4 2566 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [1,0,0,0,0,1|2,0,0]=4 2567 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [1,0,0,0,0,1|2,0,0]=4 2568 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [1,0,0,0,0,1|2,0,0]=4 2569 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [1,0,0,0,0,1|2,0,0]=4 2570 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [1,0,0,0,0,1|2,0,0]=4 2571 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [1,0,0,0,0,1|2,0,0]=4 2572 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [1,0,0,0,0,1|2,0,0]=4 2573 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [1,0,0,0,0,1|2,0,0]=4 2574 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [1,0,0,0,0,1|2,0,0]=4 2575 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [1,0,0,0,0,1|2,0,0]=4 2576 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [1,0,0,0,0,1|2,0,0]=4 2577 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [1,0,0,0,0,1|2,0,0]=4 2578 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [1,0,0,0,0,1|2,0,0]=4 2579 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [1,0,0,0,0,1|1,0,0]=3 2580 B11R1.20 Cc1ccc(cn1)CC(=O)[13CH3] 1458a_100000740413_200025704644 [1,0,0,0,0,1|2,0,0]=4 2581 B11R1.20 Cc1ccc(nc1)CC(=O)[13CH3] 1458a_100025705728_200025704644 [1,0,0,0,0,1|2,0,0]=4 2582 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [1,0,0,0,0,1|2,0,0]=4 2583 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [1,0,0,0,0,1|2,0,0]=4 2584 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [1,0,0,0,0,1|2,0,0]=4 2585 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [1,0,0,0,0,1|2,0,0]=4 2586 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [1,0,0,0,0,1|2,0,0]=4 2587 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [1,0,0,0,0,1|2,0,0]=4 2588 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [1,0,0,0,0,1|2,0,0]=4 2589 B11R1.266 C=C(C)c1cccc(c1)CN 271570a_100000694244_100000106179 [0,0,0,0,1,1|2,0,0]=4 2590 B11R1.266 C=C(C)c1ccnc(c1)CN 271570a_100000694244_100000085674 [0,0,0,0,1,1|2,0,0]=4 2591 B11R1.266 C=C(C)c1cncc(c1)CN 271570a_100000694244_100011249555 [0,0,0,0,1,1|2,0,0]=4 2592 B11R1.266 CC(=O)c1cccc(c1)CO 1458a_100000746274_200000210301 [0,0,0,0,1,1|2,0,0]=4 2593 B11R1.266 CCc1cccc(c1)C(=O)C 1458a_100011933908_200000210301 [0,0,0,0,1,1|2,0,0]=4 2594 B11R1.266 CCc1cccc(c1)C(=O)[13CH3] 1458a_100011933908_200025704644 [0,0,0,0,1,1|2,0,0]=4 2595 B11R1.266 [13CH3]C(=O)c1cccc(c1)CO 1458a_100000746274_200025704644 [0,0,0,0,1,1|2,0,0]=4 2596 B13R1.3 C=C(C)COc1ccc(cc1)CN 34a_100000185549_100000748629 [0,0,0,0,0,2|2,0,0]=4 2597 B13R1.3 C=C(C)CSc1ccc(cc1)CN 62a_100000748629_100016989417 [0,0,0,0,0,2|2,0,0]=4 2598 B13R1.3 C=C(C)CSc1ccc(cc1)CN 62a_100016989417_100000211660 [0,0,0,0,0,2|2,0,0]=4 2599 B13R1.3 C=C(F)COc1ccc(cc1)CN 34a_100000185549_100009893438 [0,0,0,0,0,2|2,0,0]=4 2600 B13R1.3 C=C(F)CSc1ccc(cc1)CN 62a_100000042424_100016989417 [0,0,0,0,0,2|2,0,0]=4 2601 B13R1.3 C=C(F)CSc1ccc(cc1)CN 62a_100016989417_100000042424 [0,0,0,0,0,2|2,0,0]=4 2602 B13R1.3 CC(=O)COc1ccc(cc1)CO 1458a_100000730898_200000210301 [0,0,0,0,0,2|2,0,0]=4 2603 B13R1.3 CC(=O)NCc1ccc(cc1)CO 240690a_100015189231_100015343762 [0,0,0,0,0,2|2,0,0]=4 2604 B13R1.3 CC(=O)NCc1ccc(cc1)CO 527a_100015189231_100103153847 [0,0,0,0,0,2|2,0,0]=4 2605 B13R1.3 CC(O)C=Cc1ccc(cc1)CN 271570a_200011019289_100016989417 [0,0,0,0,0,2|1,0,1]=4 2606 B13R1.3 CC(O)COc1ccc(cc1)CN 34a_100000185549_100011218427 [0,0,0,0,0,2|1,0,1]=4 2607 B13R1.3 CC(O)CSc1ccc(cc1)CN 62a_100011218427_100016989417 [0,0,0,0,0,2|1,0,1]=4 2608 B13R1.3 CC(O)CSc1ccc(cc1)CN 62a_100016989417_100011218427 [0,0,0,0,0,2|1,0,1]=4 2609 B13R1.3 CCc1ccc(cc1)C=CC(=O)C 1458a_100000187855_200000210301 [0,0,0,0,0,2|2,0,0]=4 2610 B13R1.3 CCc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000187855_200025704644 [0,0,0,0,0,2|2,0,0]=4 2611 B13R1.3 CCc1ccc(cc1)CCC(=O)C 1458a_100000195522_200000210301 [0,0,0,0,0,2|2,0,0]=4 2612 B13R1.3 CCc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000195522_200025704644 [0,0,0,0,0,2|2,0,0]=4 2613 B13R1.3 CCc1ccc(cc1)CNC(=O)C 11a_100000721222_100015343762 [0,0,0,0,0,2|2,0,0]=4 2614 B13R1.3 CCc1ccc(cc1)CNC(=O)C 1626a_100000721222_100015343762 [0,0,0,0,0,2|2,0,0]=4 2615 B13R1.3 CCc1ccc(cc1)CNC(=O)C 240690a_100000721222_100015343762 [0,0,0,0,0,2|2,0,0]=4 2616 B13R1.3 CCc1ccc(cc1)CNC(=O)C 527a_100000721222_100103153847 [0,0,0,0,0,2|2,0,0]=4 2617 B13R1.3 CCc1ccc(cc1)NCC(=O)N 2230a_100000211069_100000747473 [0,0,0,0,0,2|2,0,0]=4 2618 B13R1.3 CCc1ccc(cc1)NCC(=O)N 34a_100000211069_100000187820 [0,0,0,0,0,2|2,0,0]=4 2619 B13R1.3 CCc1ccc(cc1)NCC(=O)[O-] 34a_100000211069_100020667443 [0,0,0,0,0,2|1,0,1]=4 2620 B13R1.3 CCc1ccc(cc1)NNC(=O)C 22a_100015204395_100000070787 [0,0,0,0,0,2|2,0,0]=4 2621 B13R1.3 CCc1ccc(cc1)OCC(=O)C 1458a_100000182499_200000210301 [0,0,0,0,0,2|2,0,0]=4 2622 B13R1.3 CCc1ccc(cc1)OCC(=O)N 34a_100000211359_100000187820 [0,0,0,0,0,2|2,0,0]=4 2623 B13R1.3 CCc1ccc(cc1)OCC(=O)N 7a_100000211359_100000187820 [0,0,0,0,0,2|2,0,0]=4 2624 B13R1.3 CCc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182499_200025704644 [0,0,0,0,0,2|2,0,0]=4 2625 B13R1.3 CCc1ccc(cc1)OCC(=O)[O-] 34a_100000211359_100020667443 [0,0,0,0,0,2|1,0,1]=4 2626 B13R1.3 CCc1ccc(cc1)SCC(=O)N 62a_100000747473_100011215824 [0,0,0,0,0,2|2,0,0]=4 2627 B13R1.3 CCc1ccc(cc1)SCC(=O)N 62a_100011215824_100000747473 [0,0,0,0,0,2|2,0,0]=4 2628 B13R1.3 CCc1ccc(cc1)SCC(=O)[O-] 62a_100011215824_100020667443 [0,0,0,0,0,2|1,0,1]=4 2629 B13R1.3 CCc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100011215824 [0,0,0,0,0,2|1,0,1]=4 2630 B13R1.3 C[C@@H](O)COc1ccc(cc1)CN 34a_100000185549_100009817552 [0,0,0,0,0,2|1,0,1]=4 2631 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CN 62a_100009817552_100016989417 [0,0,0,0,0,2|1,0,1]=4 2632 B13R1.3 C[C@@H](O)CSc1ccc(cc1)CN 62a_100016989417_100009817552 [0,0,0,0,0,2|1,0,1]=4 2633 B13R1.3 NC(=O)CNc1ccc(cc1)CO 2230a_100011215238_100000747473 [0,0,0,0,0,2|2,0,0]=4 2634 B13R1.3 NC(=O)CNc1ccc(cc1)CO 34a_100011215238_100000187820 [0,0,0,0,0,2|2,0,0]=4 2635 B13R1.3 NC(=O)COc1ccc(cc1)CO 34a_100000211755_100000187820 [0,0,0,0,0,2|2,0,0]=4 2636 B13R1.3 NC(=O)CSc1ccc(cc1)CF 62a_100000747473_100010268989 [0,0,0,0,0,2|2,0,0]=4 2637 B13R1.3 NC(=O)CSc1ccc(cc1)CF 62a_100010268989_100000747473 [0,0,0,0,0,2|2,0,0]=4 2638 B13R1.3 NC(=O)CSc1ccc(cc1)CO 62a_100000690907_100000747473 [0,0,0,0,0,2|2,0,0]=4 2639 B13R1.3 NC(=O)CSc1ccc(cc1)CO 62a_100000747473_100000690907 [0,0,0,0,0,2|2,0,0]=4 2640 B13R1.3 NCc1ccc(cc1)OCC(=O)N 34a_100000185549_100000187820 [0,0,0,0,0,2|1,0,0]=3 2641 B13R1.3 NCc1ccc(cc1)OCC(=O)[O-] 34a_100000185549_100020667443 [0,0,0,0,0,2|0,0,1]=3 2642 B13R1.3 NCc1ccc(cc1)OC[N+](=O)[O-] 34a_100000185549_100000761209 [0,0,0,0,0,2|1,0,1]=4 2643 B13R1.3 NCc1ccc(cc1)SCC(=O)N 62a_100000747473_100016989417 [0,0,0,0,0,2|1,0,0]=3 2644 B13R1.3 NCc1ccc(cc1)SCC(=O)N 62a_100016989417_100000747473 [0,0,0,0,0,2|1,0,0]=3 2645 B13R1.3 NCc1ccc(cc1)SCC(=O)[O-] 62a_100016989417_100020667443 [0,0,0,0,0,2|0,0,1]=3 2646 B13R1.3 NCc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100016989417 [0,0,0,0,0,2|0,0,1]=3 2647 B13R1.3 NCc1ccc(cc1)SC[N+](=O)[O-] 62a_100016989417_100000761209 [0,0,0,0,0,2|1,0,1]=4 2648 B13R1.3 NCc1ccc(cn1)OCC(=O)N 34a_100020605196_100000187820 [0,0,0,0,0,2|2,0,0]=4 2649 B13R1.3 NCc1ccc(cn1)OCC(=O)[O-] 34a_100020605196_100020667443 [0,0,0,0,0,2|1,0,1]=4 2650 B13R1.3 NCc1ccc(cn1)SCC(=O)N 62a_100000747473_100015188789 [0,0,0,0,0,2|2,0,0]=4 2651 B13R1.3 NCc1ccc(cn1)SCC(=O)N 62a_100015188789_100000747473 [0,0,0,0,0,2|2,0,0]=4 2652 B13R1.3 NCc1ccc(cn1)SCC(=O)[O-] 62a_100015188789_100020667443 [0,0,0,0,0,2|1,0,1]=4 2653 B13R1.3 NCc1ccc(cn1)SCC(=O)[O-] 62a_100020667443_100015188789 [0,0,0,0,0,2|1,0,1]=4 2654 B13R1.3 NCc1ccc(nc1)OCC(=O)N 34a_100000757128_100000187820 [0,0,0,0,0,2|2,0,0]=4 2655 B13R1.3 NCc1ccc(nc1)OCC(=O)[O-] 34a_100000757128_100020667443 [0,0,0,0,0,2|1,0,1]=4 2656 B13R1.3 NCc1ccc(nc1)SCC(=O)N 62a_100000735879_100000747473 [0,0,0,0,0,2|2,0,0]=4 2657 B13R1.3 NCc1ccc(nc1)SCC(=O)N 62a_100000747473_100000735879 [0,0,0,0,0,2|2,0,0]=4 2658 B13R1.3 NCc1ccc(nc1)SCC(=O)[O-] 62a_100000735879_100020667443 [0,0,0,0,0,2|1,0,1]=4 2659 B13R1.3 NCc1ccc(nc1)SCC(=O)[O-] 62a_100020667443_100000735879 [0,0,0,0,0,2|1,0,1]=4 2660 B13R1.3 NNc1ccc(cc1)SCC(=O)N 62a_100000747473_100016988836 [0,0,0,0,0,2|2,0,0]=4 2661 B13R1.3 NNc1ccc(cc1)SCC(=O)N 62a_100016988836_100000747473 [0,0,0,0,0,2|2,0,0]=4 2662 B13R1.3 NNc1ccc(cc1)SCC(=O)[O-] 62a_100016988836_100020667443 [0,0,0,0,0,2|1,0,1]=4 2663 B13R1.3 NNc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100016988836 [0,0,0,0,0,2|1,0,1]=4 2664 B13R1.3 O=C([O-])CNc1ccc(cc1)CO 34a_100011215238_100020667443 [0,0,0,0,0,2|1,0,1]=4 2665 B13R1.3 O=C([O-])COc1ccc(cc1)CO 34a_100000211755_100020667443 [0,0,0,0,0,2|1,0,1]=4 2666 B13R1.3 O=C([O-])CSc1ccc(cc1)CF 62a_100010268989_100020667443 [0,0,0,0,0,2|1,0,1]=4 2667 B13R1.3 O=C([O-])CSc1ccc(cc1)CF 62a_100020667443_100010268989 [0,0,0,0,0,2|1,0,1]=4 2668 B13R1.3 O=C([O-])CSc1ccc(cc1)CO 62a_100000690907_100020667443 [0,0,0,0,0,2|1,0,1]=4 2669 B13R1.3 O=C([O-])CSc1ccc(cc1)CO 62a_100020667443_100000690907 [0,0,0,0,0,2|1,0,1]=4 2670 B13R1.3 [13CH3]C(=O)COc1ccc(cc1)CO 1458a_100000730898_200025704644 [0,0,0,0,0,2|2,0,0]=4