0 B10R1.13 CC(=O)C1=CN=C(C)C=C1 M15462 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.13 CC(=O)C1=NC=C(C)C=C1 O31151 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.13 CC(=O)C1=NC=C(C)N=C1 F-4678 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.13 CC(Br)C1=CC=C(Br)C=C1 P51612 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.13 CC(Br)C1=CC=C(Cl)C=C1 M23061 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.13 CC(C)C1=CN=C(N)C=C1 O34069 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.13 CC(C)C1=CN=C(N)N=C1 Q52535 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.13 CC(C)C1=NC=C(Br)C=N1 L21812 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.13 CC(C)C1=NC=C(N)C=C1 G-7522 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.13 CC(C)C1=NN=C(Br)C=C1 P51559 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 P36954 [0,0,0,0,0,0|2,0,2]=4 11 B10R1.13 CC(N)C1=NC=C(F)C=C1 C-3369 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.13 CC(O)C1=CC=C(Cl)N=C1 P39514 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.13 CC(O)C1=CC=C(N)C=C1 P41199 [0,0,0,0,0,0|2,0,2]=4 14 B10R1.13 CC(O)C1=CC=C(O)C=C1 P39467 [0,0,0,0,0,0|2,0,2]=4 15 B10R1.13 CC(O)C1=CN=C(Br)C=C1 N26195 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.13 CC1=CC=C(C(C)Br)C=C1 M23020 [0,0,0,0,0,0|1,0,2]=3 17 B10R1.13 CC1=CC=C(C(C)O)C=N1 P43130 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.13 CN(C)C1=CC=C(Br)N=C1 O30431 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.13 CN(C)C1=NC=C(Br)C=C1 P39265 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.13 CN(C)C1=NC=C(Cl)N=C1 O29544 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.13 CN(C)C1=NC=C(I)C=C1 N26187 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.13 CN(C)C1=NC=C(N)C=C1 I-9568 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.13 C[C@@H](O)C1=CC=C(Br)N=C1 Q64116 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.13 C[C@@H](O)C1=NC=C(Br)C=C1 Q62335 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 O32464 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.13 C[C@H](O)C1=CC=C(Br)N=C1 Q64115 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.13 C[C@H](O)C1=NC=C(Br)C=C1 Q62334 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.1 CC1=CC=C(CN)C=N1 C-3518 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.1 CC1=CC=C(CO)C=N1 H-8186 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.1 CC1=CN=C(CCl)C=N1 G-7947 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.1 CC1=CN=C(CCl)C=N1 O31027 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.1 CC1=CN=C(CN)C=N1 L14005 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.1 CC1=CN=C(CO)C=C1 N24952 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.1 CC1=NC=C(CN)N=C1 P50562 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.1 CCC1=CC=C(Br)N=C1 Q57112 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.1 CCC1=CC=C(Cl)N=C1 Q57111 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.1 CCC1=CC=C(N)C=N1 A-656 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.1 CCC1=NC=C(Br)C=C1 G-6695 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.1 COC1=NC=C(C)C=C1 Q67071 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.1 CSC1=NC=C(C)C=C1 N24295 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.6 CC(C)C1=NC=CC=C1 C-3354 [1,0,0,0,0,0|1,0,1]=3 42 B9R1.6 CC(N)C1=NC=CC=C1 P38151 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.6 C[C@@H](N)C1=CN=CC=C1 Q54675 [1,0,0,0,0,0|2,0,1]=4 44 B11R1.3 CC(N)C1=CC=C(CO)C=C1 P38103 [0,1,0,0,0,0|1,0,2]=4 45 B11R1.3 CCC1=CC=C(C(C)N)C=C1 P41160 [0,1,0,0,0,0|1,0,2]=4 46 B11R1.3 CCC1=CC=C(C(C)O)C=C1 M22873 [0,1,0,0,0,0|1,0,2]=4 47 B11R1.3 CN(C)C1=CC=C(CN)C=C1 P40156 [0,1,0,0,0,0|1,0,2]=4 48 B11R1.3 CN(C)C1=CC=C(CO)C=C1 O28119 [0,1,0,0,0,0|1,0,2]=4 49 B11R1.3 CN(C)C1=NC=C(CCl)C=C1 L19285 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.3 CN(C)C1=NC=C(CO)C=C1 Q67746 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.3 CNC1=CC=C(N(C)C)C=C1 P37575 [0,1,0,0,0,0|1,0,2]=4 52 B11R1.3 COC1=CN=C([C@@H](C)N)C=C1 Q62470 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.19 CC(C)(C)C1=CC=C(Br)N=C1 P49742 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.19 CC(C)(C)C1=CC=C(N)N=C1 Q52925 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.19 CC(C)(C)C1=CN=C(Cl)C=C1 P49958 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.19 CC(C)(C)C1=CNC(=O)C=C1 Q52705 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.19 CC(C)(N)C1=CC=C(Br)C=C1 P40451 [0,1,0,0,0,0|1,0,2]=4 58 B11R1.19 CC(C)(N)C1=CC=C(Br)C=C1 P42464 [0,1,0,0,0,0|1,0,2]=4 59 B11R1.19 CC(C)(N)C1=CC=C(Cl)C=C1 P40452 [0,1,0,0,0,0|1,0,2]=4 60 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 O30550 [0,1,0,0,0,0|1,0,2]=4 61 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 P42234 [0,1,0,0,0,0|1,0,2]=4 62 B11R1.19 CC(C)(N)C1=NC=C(F)C=C1 Q69598 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.19 CC(C)(O)C1=CC=C(Br)C=C1 P39871 [0,1,0,0,0,0|1,0,2]=4 64 B11R1.19 CC(C)(O)C1=CC=C(N)N=C1 Q53407 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.19 CC1=CC=C(C(C)(C)N)C=C1 P36818 [0,1,0,0,0,0|0,0,2]=3 66 B11R1.19 CC1=CC=C(C(C)(C)N)C=N1 Q58436 [0,1,0,0,0,0|1,0,1]=3 67 B11R1.19 CC1=CC=C(C(C)(C)O)C=N1 O33635 [0,1,0,0,0,0|1,0,1]=3 68 B11R1.21 CC(C)C1=CC(I)=C(N)C=C1 N25776 [0,1,0,0,0,0|1,0,2]=4 69 B11R1.21 CC(C)C1=CC=C(Br)C(N)=N1 Q53515 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.21 CC(C)C1=CC=C(Cl)C(Br)=C1 Q67346 [0,1,0,0,0,0|1,0,2]=4 71 B11R1.21 CC(C)C1=CC=C(Cl)C(O)=C1 Q67377 [0,1,0,0,0,0|1,0,2]=4 72 B11R1.21 CC(C)C1=CC=C(I)C(Br)=C1 Q67564 [0,1,0,0,0,0|1,0,2]=4 73 B11R1.21 CC(C)C1=CC=C(O)C(Br)=C1 Q67536 [0,1,0,0,0,0|1,0,2]=4 74 B11R1.21 CC(C)C1=CC=C(O)C(Cl)=N1 Q68845 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.21 CC1=CC=C(C(C)O)C=C1C M22902 [0,1,0,0,0,0|1,0,2]=4 76 B11R1.21 CC1=CC=C(N(C)C)C=C1Br N25454 [0,1,0,0,0,0|1,0,2]=4 77 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 P39316 [0,1,0,0,0,0|1,0,2]=4 78 B11R1.22 CC(CN)C1=CC=C(F)C=C1 P38013 [0,1,0,0,0,0|1,0,2]=4 79 B11R1.22 CC1=CC=C(C(N)CO)C=C1 P40922 [0,1,0,0,0,0|1,0,2]=4 80 B11R1.22 CC1=CC=C(C(O)CN)C=C1 P37591 [0,1,0,0,0,0|1,0,2]=4 81 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 P36899 [0,1,0,0,0,0|1,0,2]=4 82 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 P38803 [0,1,0,0,0,0|1,0,2]=4 83 B11R1.166 CC(C)C1=C(I)C=C(Cl)C=C1 N26662 [0,1,0,0,0,0|1,0,2]=4 84 B11R1.166 CC(C)C1=CC=C(Cl)C=C1N Q68189 [0,1,0,0,0,0|1,0,2]=4 85 B11R1.166 CC(C)C1=CN=C(Cl)C=C1N O32387 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.166 CC(C)N1CCC(=O)CC1=O O33468 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.166 CC1=CC=C(C(C)N)C(C)=C1 P42949 [0,1,0,0,0,0|1,0,2]=4 88 B11R2.34 BrC1=CC=C(C2CC2)C=C1 O30566 [0,0,0,1,0,0|1,0,2]=4 89 B11R2.34 CC1=CC=C(C2CN2)C=C1 P36371 [0,0,0,1,0,0|1,0,2]=4 90 B11R2.34 ClC1=NC=C(C2CC2)C=C1 Q67831 [0,0,0,1,0,0|2,0,1]=4 91 B11R2.34 FC1=NC=C(C2CC2)C=C1 N26245 [0,0,0,1,0,0|2,0,1]=4 92 B11R2.34 NC1=CC=C(C2CC2)C=C1 P38877 [0,0,0,1,0,0|1,0,2]=4 93 B11R2.34 NC1=CC=C(C2CC2)N=C1 P42501 [0,0,0,1,0,0|2,0,1]=4 94 B11R2.34 OC1=CC=C(C2CC2)C=C1 P42947 [0,0,0,1,0,0|1,0,2]=4 95 B11R2.533 CC1=CCC2CC1C2(C)C P45154 [0,0,0,1,0,0|0,0,2]=3 96 B11R2.533 CC1=CC[C@@H]2C[C@H]1C2(C)C P45188 [0,0,0,1,0,0|0,0,2]=3 97 B11R2.533 CC1=CC[C@H]2C[C@@H]1C2(C)C P45189 [0,0,0,1,0,0|0,0,2]=3 98 B9R1.35 CC(C)C1=NC(Br)=CS1 M23841 [0,0,0,0,1,0|3,0,0]=4 99 B9R1.35 CC(C)C1=NC=C(Br)S1 O33541 [0,0,0,0,1,0|3,0,0]=4 100 B9R1.35 CC(C)C1=NOC(N)=C1 A-654 [0,0,0,0,1,0|3,0,0]=4 101 B9R1.35 CC(C)N1C=C(Br)C=N1 Q66618 [0,0,0,0,1,0|3,0,0]=4 102 B9R1.35 CC(C)N1C=C(N)C=N1 A-615 [0,0,0,0,1,0|3,0,0]=4 103 B9R1.35 CC(C)N1C=C(O)C=N1 Q61946 [0,0,0,0,1,0|3,0,0]=4 104 B9R1.35 CC(C)N1C=NC(I)=C1 H-8318 [0,0,0,0,1,0|3,0,0]=4 105 B9R1.35 CC(N)C1=CN(C)N=C1 I-9567 [0,0,0,0,1,0|3,0,0]=4 106 B9R1.35 CC(N)C1=CN(C)N=C1 O31760 [0,0,0,0,1,0|3,0,0]=4 107 B9R1.35 CC(O)C1=CN(C)C=N1 C-3678 [0,0,0,0,1,0|3,0,0]=4 108 B9R1.35 CC(O)C1=CN(C)N=C1 O30374 [0,0,0,0,1,0|3,0,0]=4 109 B9R1.35 CC(O)C1=CSC(Cl)=C1 G-6181 [0,0,0,0,1,0|3,0,0]=4 110 B9R1.35 CC1=CC=C([C@@H](C)N)O1 P43691 [0,0,0,0,1,0|2,0,1]=4 111 B9R1.35 CC1=CNC(C(C)C)=N1 P51555 [0,0,0,0,1,0|2,0,0]=3 112 B9R1.35 CC1=CSC(C(C)N)=N1 O31672 [0,0,0,0,1,0|3,0,0]=4 113 B9R1.35 CC1=NN=C(C(C)C)N1 Q70075 [0,0,0,0,1,0|3,0,0]=4 114 B9R1.35 C[C@H](O)C1=CC(Br)=CS1 I-9085 [0,0,0,0,1,0|3,0,0]=4 115 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 P42284 [0,0,0,0,0,1|1,0,2]=4 116 B11R1.20 CC(C)NC1=CC=C(Cl)C=C1 P36150 [0,0,0,0,0,1|1,0,2]=4 117 B11R1.20 CC(C)NC1=CC=C(F)C=C1 P36529 [0,0,0,0,0,1|1,0,2]=4 118 B11R1.20 CC(C)NC1=NC=C(Br)C=C1 P38063 [0,0,0,0,0,1|2,0,1]=4 119 B11R1.20 CC(C)OC1=CC=C(Br)C=C1 Q66408 [0,0,0,0,0,1|1,0,2]=4 120 B11R1.20 CC(C)OC1=CC=C(F)C=C1 Q67546 [0,0,0,0,0,1|1,0,2]=4 121 B11R1.20 CC(C)OC1=CC=C(N)C=N1 Q53684 [0,0,0,0,0,1|2,0,1]=4 122 B11R1.20 CC(C)OC1=CC=C(O)C=C1 O30893 [0,0,0,0,0,1|1,0,2]=4 123 B11R1.20 CC(C)OC1=CN=C(F)C=C1 N25011 [0,0,0,0,0,1|2,0,1]=4 124 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 Q67257 [0,0,0,0,0,1|2,0,1]=4 125 B11R1.20 CC(C)OC1=NC=C(Cl)C=C1 N24389 [0,0,0,0,0,1|2,0,1]=4 126 B11R1.20 CC(C)OC1=NC=C(I)C=C1 N24494 [0,0,0,0,0,1|2,0,1]=4 127 B11R1.20 CC(C)OC1=NC=C(O)C=C1 N26096 [0,0,0,0,0,1|2,0,1]=4 128 B10R1.1 CC1=CC=C(CCN)N=C1 Q58444 [1,1,0,0,0,0|1,0,1]=4 129 B10R1.3 CCC1=CC=C(CO)C=C1 Q68223 [1,1,0,0,0,0|0,0,2]=4 130 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 P40176 [1,1,0,0,0,0|0,0,2]=4 131 B10R1.15 CN[C@H](C)C1=CC=CC=C1 P37197 [1,1,0,0,0,0|0,0,2]=4 132 B10R1.28 CC(C)(N)C1=CC=CN=C1 S72454 [1,1,0,0,0,0|1,0,1]=4 133 B10R1.28 CC(C)(N)C1=NC=CC=C1 O32487 [1,1,0,0,0,0|1,0,1]=4 134 B10R1.28 CC(C)(N)C1=NC=CC=C1 O32488 [1,1,0,0,0,0|1,0,1]=4 135 B10R1.28 CC(C)(N)C1=NC=CC=C1 O32489 [1,1,0,0,0,0|1,0,1]=4 136 B10R1.28 CC(C)(O)C1=NC=CC=C1 M15802 [1,1,0,0,0,0|1,0,1]=4 137 B10R1.61 CC(C)C1=CC=CN=C1N O33456 [1,1,0,0,0,0|1,0,1]=4 138 B10R1.61 CC(C)C1=NC=CN=C1N K12340 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.113 CC(C)C1=CC=CC(I)=N1 N26566 [1,1,0,0,0,0|1,0,1]=4 140 B10R1.113 CC(C)C1=CN=CC(O)=C1 Q52825 [1,1,0,0,0,0|1,0,1]=4 141 B10R1.31 CC(C)C1=NC(CCl)=CS1 O30430 [0,1,0,0,1,0|2,0,0]=4 142 B10R1.31 CC(C)C1=NC(CN)=CS1 O30461 [0,1,0,0,1,0|2,0,0]=4 143 B10R1.58 CC1=C(C)NC(C(C)C)=N1 H-8122 [0,1,0,0,1,0|2,0,0]=4 144 B10R1.58 CC1=CN(C(C)C)N=C1N Q61546 [0,1,0,0,1,0|2,0,0]=4 145 B10R1.194 CC(C)C1=C(N)N(C)N=C1 O32658 [0,1,0,0,1,0|2,0,0]=4 146 B10R1.194 CC1=C(N)N(C(C)C)N=C1 O32479 [0,1,0,0,1,0|2,0,0]=4 147 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 O30894 [0,1,0,0,0,1|0,0,2]=4 148 B12R1.4 CC(C)OC1=NC=C(CCl)C=C1 L18936 [0,1,0,0,0,1|1,0,1]=4 149 B12R1.4 CC(C)OC1=NC=C(CCl)C=C1 O30910 [0,1,0,0,0,1|1,0,1]=4 150 B12R1.4 COC1=CC=C(NC(C)C)C=C1 P40746 [0,1,0,0,0,1|0,0,2]=4 151 B12R1.19 CC1=CC=C(OC(C)C)C=C1Br Q67569 [0,1,0,0,0,1|0,0,2]=4 152 B12R1.19 CC1=CC=C(OC(C)C)C=C1I N27183 [0,1,0,0,0,1|0,0,2]=4 153 B12R1.19 CC1=CC=C(OC(C)C)C=C1O N26105 [0,1,0,0,0,1|0,0,2]=4 154 B12R1.20 CC1=CC=C(C(N)C(C)C)C=C1 P35720 [0,1,0,0,0,1|0,0,2]=4 155 B12R1.233 CC1=CC=C(OC(C)C)C(Br)=C1 N24145 [0,1,0,0,0,1|0,0,2]=4 156 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 P42415 [0,2,0,0,0,0|0,0,2]=4 157 B12R1.48 COC1=CC=C(C(C)C)C=C1Br Q67537 [0,2,0,0,0,0|0,0,2]=4 158 B12R1.256 CC(=O)C1=CN=C(C(C)C)C=C1 H-8735 [0,2,0,0,0,0|1,0,1]=4 159 B12R1.256 CC(C)C1=CN=C(C(C)C)C=N1 O32041 [0,2,0,0,0,0|2,0,0]=4 160 B12R1.452 COC1=CC=C(C(C)C)C(F)=C1 C-3733 [0,2,0,0,0,0|0,0,2]=4 161 B12R1.23 CC1=C(N)C=C(C(C)(C)C)C=C1 K12287 [0,2,0,0,0,0|0,0,2]=4 162 B10R2.6 C1=CN=C(C2CC2)C=C1 K12338 [1,0,0,1,0,0|1,0,1]=4 163 B12R2.9 COC1=NC=C(C2CC2)C=C1 N27275 [0,1,0,1,0,0|1,0,1]=4 164 B12R2.9 OCC1=CC=C(C2CC2)C=C1 O28315 [0,1,0,1,0,0|0,0,2]=4 165 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 P37814 [0,1,0,1,0,0|0,0,2]=4 166 B8R1.1 CC1=CSC(CO)=C1 Q68378 [1,0,0,0,1,0|2,0,0]=4 167 B8R1.1 CCC1=CNC(C)=N1 O32620 [1,0,0,0,1,0|2,0,0]=4 168 B8R1.1 CSC1=CC(C)=CS1 N26956 [1,0,0,0,1,0|2,0,0]=4 169 B8R1.7 CC(C)C1=CC=CO1 A-982 [1,0,0,0,1,0|1,0,0]=3 170 B8R1.7 CC(C)N1C=CC=N1 Q67289 [1,0,0,0,1,0|2,0,0]=4 171 B8R1.7 CC(O)C1=CSC=C1 O31068 [1,0,0,0,1,0|2,0,0]=4 172 B10R1.18 CC(C)OC1=NC=CC=C1 N24110 [1,0,0,0,0,1|1,0,1]=4 173 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 P36503 [0,0,0,0,0,2|0,0,2]=4