0 B10R1.18 CC(=O)CC1=CC=CN=C1 P36950 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.18 CC(C)NC1=NN=CC=C1 O31988 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.18 CC(C)OC1=NC=CC=C1 N24110 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.18 FC(F)OC1=NC=CC=C1 O32452 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.18 NC(=S)CC1=CC=NC=C1 Q58253 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.8 BrCCC1=CC=NC=C1 Q62364 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.8 BrCCC1=CN=CC=C1 Q62363 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.8 C=CCC1=CC=CC=N1 Q62450 [1,0,0,0,0,0|1,0,2]=4 8 B9R1.8 CCNC1=NN=CC=C1 O31986 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.8 CNCC1=CC=CN=C1 P35002 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.8 CNCC1=CC=NC=C1 P36555 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.8 CNCC1=CN=CN=C1 G-7225 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.8 CNCC1=NC=CC=C1 P39822 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.8 CNCC1=NC=CC=N1 L18100 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.8 N#CCC1=CC=NC=C1 P41732 [1,0,0,0,0,0|1,0,2]=4 15 B9R1.8 NCCC1=CC=NC=N1 L14509 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.8 NCCC1=NC=CC=N1 L14904 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.8 NCCC1=NC=CC=N1 Q55474 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.8 NCCC1=NC=NC=C1 Q56454 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.8 NNCC1=CC=CC=C1 P43525 [1,0,0,0,0,0|1,0,0]=2 20 B9R1.8 NNCC1=CC=CN=C1 O31533 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.8 NNCC1=CC=NC=C1 C-3253 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.8 NNCC1=CC=NC=C1 L13556 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.8 NNCC1=CC=NC=C1 O32212 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.8 NNCC1=CN=CC=C1 C-3254 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.8 NNCC1=CN=CN=C1 C-3759 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.8 NNCC1=NC=CC=C1 C-3255 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.8 NNCC1=NC=CC=C1 O31423 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.8 NNCC1=NC=CC=N1 C-2760 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.8 NNCC1=NC=CN=C1 G-5311 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.8 O=CCC1=CN=CC=C1 Q60356 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.8 OCCC1=CC=CN=C1 O28068 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.8 OCCC1=CC=NC=C1 P37585 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.8 OCCC1=CC=NC=N1 Q56821 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.8 OCCC1=NC=CC=N1 Q56820 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.8 [C-]#[N+]CC1=NC=CC=C1 O32008 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.20 CC(=O)OC1=CC=C(Br)C=C1 P40160 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 P41430 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 P42284 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.20 CC(C)NC1=CC=C(Cl)C=C1 P36150 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.20 CC(C)NC1=CC=C(F)C=C1 P36529 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.20 CC(C)NC1=NC=C(Br)C=C1 P38063 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.20 CC(C)OC1=CC=C(Br)C=C1 Q66408 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.20 CC(C)OC1=CC=C(F)C=C1 Q67546 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.20 CC(C)OC1=CC=C(N)C=N1 Q53684 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.20 CC(C)OC1=CC=C(O)C=C1 O30893 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.20 CC(C)OC1=CN=C(F)C=C1 N25011 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 Q67257 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.20 CC(C)OC1=NC=C(Cl)C=C1 N24389 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.20 CC(C)OC1=NC=C(I)C=C1 N24494 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.20 CC(C)OC1=NC=C(O)C=C1 N26096 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.20 CC(N)CC1=CC=C(Br)C=C1 P41684 [0,1,0,0,0,0|0,0,0]=1 52 B11R1.20 CC1=CC=C(NC(N)=S)C=C1 P43234 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.20 CN(C)CC1=CC=C(N)C=C1 P36889 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.20 CN(C)CC1=NC=C(Br)C=C1 O33494 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.20 N=C(N)CC1=CC=C(F)N=C1 H-8033 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 O31092 [0,1,0,0,0,0|1,0,1]=3 57 B11R1.36 CC(C)C(=O)C1=CC=NC=C1 L20820 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.36 CC(C)C(C)C1=CC=CC=C1 P43269 [0,1,0,0,0,0|1,0,0]=2 59 B11R1.36 CC(C)C(N)C1=CC=CC=C1 P36744 [0,1,0,0,0,0|1,0,0]=2 60 B11R1.36 CC(C)C(O)C1=CC=NC=C1 L20534 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 P37697 [0,1,0,0,0,0|1,0,1]=3 62 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 P51547 [0,1,0,0,0,0|0,0,1]=2 63 B11R1.40 CC(C#N)NC1=CC=CC=C1 M15456 [0,1,0,0,0,0|1,0,1]=3 64 B11R1.40 CC(CN)OC1=CC=CC=C1 P36860 [0,1,0,0,0,0|1,0,0]=2 65 B11R1.40 CC(CN)SC1=CC=CC=N1 Q58359 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.40 CC(CN)SC1=NC=CC=N1 Q58739 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.40 CCC(Br)CC1=CC=NC=C1 Q58440 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.40 CCC(N)CC1=CC=CC=C1 P38928 [0,1,0,0,0,0|0,0,0]=1 69 B11R1.40 CCC(O)CC1=CC=NC=C1 Q58397 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.40 COC(=O)CC1=CC=CN=C1 P38302 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.40 NC(CO)CC1=CC=CC=C1 P36941 [0,1,0,0,0,0|0,0,0]=1 72 B11R1.40 NCC(=O)NC1=CC=CC=C1 P37442 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.40 NNC(=O)CC1=CC=NC=C1 P36560 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.40 O=C(CBr)CC1=CC=CC=C1 O31255 [0,1,0,0,0,0|1,0,1]=3 75 B11R1.40 O=C(CBr)NC1=CC=CC=C1 P37595 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.40 O=C(CC1=CC=CC=C1)NO P37592 [0,1,0,0,0,0|1,0,1]=3 77 B11R1.86 CC(=O)CC1=NC=CC=C1Br Q58439 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.86 CC(=O)CC1=NC=CC=C1Cl Q58438 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.86 CC(=O)OC1=CC=CC=C1Br P40333 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.86 CC(C)NC1=CC=CC=C1Br P40936 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.86 CC(C)NC1=CC=CC=C1Cl P36079 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.86 CC(C)NC1=CC=CC=C1F P42616 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.86 CC(C)NC1=CC=CC=C1N P36500 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.86 CC(C)NC1=CC=NC=C1N Q58287 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.86 CC(C)OC1=CC=CC=C1F Q67217 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.86 CC(C)OC1=CC=CN=C1F N27027 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.86 CC(C)OC1=NC=CC=C1Br Q67456 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.86 CC(C)OC1=NC=CC=C1Cl N26015 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.86 CC(N)CC1=C(O)C=CC=C1 L19732 [0,1,0,0,0,0|0,0,0]=1 90 B11R1.86 CN(C)CC1=CC=CC=C1Br Q68057 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.86 CN(C)CC1=CC=CC=C1N P40192 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.86 NC1=CC=CC=C1CC(=O)O P38750 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.86 OB(O)CC1=C(Cl)C=CC=C1 L20522 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.86 OC1=CC=CC=C1OC(F)F M15813 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.157 CC(=O)OC1=CC=CC(Br)=C1 P38633 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.157 CC(C)NC1=CC=CC(Br)=C1 P41926 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.157 CC(C)NC1=CC=CC(Cl)=C1 P38903 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.157 CC(C)NC1=CC=CC(F)=C1 P42251 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.157 CC(C)OC1=CC(F)=CC=C1 Q66828 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.157 CC(C)OC1=CC=CC(O)=C1 N24861 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.157 CC(C)OC1=CN=CC(Br)=C1 Q67028 [0,1,0,0,0,0|3,0,0]=4 102 B11R1.157 CC(C)OC1=CN=CC(O)=C1 N26113 [0,1,0,0,0,0|3,0,0]=4 103 B11R1.157 CC(C)OC1=NC(Cl)=CC=C1 N25603 [0,1,0,0,0,0|3,0,0]=4 104 B11R1.157 CC(C)OC1=NC=CC(I)=C1 N24860 [0,1,0,0,0,0|3,0,0]=4 105 B11R1.157 CC1=CC(CB(O)O)=CC=C1 L20484 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.157 CC1=CC(NC(C)C)=CC=C1 P42983 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.157 CN(C)CC1=CC(Br)=CN=C1 N26225 [0,1,0,0,0,0|3,0,0]=4 108 B11R1.157 CN(C)CC1=CC(N)=CC=C1 P39096 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.157 CN(C)CC1=CC=CC(Br)=C1 Q67698 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.157 CN(C)CC1=CC=NC(Cl)=C1 Q58394 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.157 FC1=CC(OC(F)F)=CC=C1 O31131 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.509 F[B-](F)(F)CC1=CC=CC=C1 Q66541 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.509 NS(=O)(=O)CC1=NC=CC=C1 Q52417 [0,1,0,0,0,0|3,0,0]=4 114 B11R2.4 NC1CC1C2=CC=CC=C2 Q54793 [0,0,0,1,0,0|0,0,0]=1 115 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 L14213 [0,0,0,1,0,0|0,0,0]=1 116 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 L22363 [0,0,0,1,0,0|0,0,0]=1 117 B11R2.10 CC1=CC2=C(C=CN=C2)N1 L13043 [0,0,0,1,0,0|1,0,2]=4 118 B11R2.10 CC1=CC2=C(C=NC=C2)N1 O33438 [0,0,0,1,0,0|1,0,2]=4 119 B11R2.10 CC1=CC2=CC=CN=C2N1 C-3671 [0,0,0,1,0,0|1,0,2]=4 120 B11R2.10 CC1=CC2=NC=CC=C2N1 O32885 [0,0,0,1,0,0|1,0,2]=4 121 B11R2.10 C[C@@H]1CC2=C(C=CC=C2)N1 L14886 [0,0,0,1,0,0|0,0,0]=1 122 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 I-9534 [0,0,0,1,0,0|0,0,0]=1 123 B11R2.10 ClC1=CC2=CC=CC=C2N1 D-2538 [0,0,0,1,0,0|1,0,2]=4 124 B11R2.10 NC1=CC2=C(C=CC=C2)N1 O29924 [0,0,0,1,0,0|1,0,2]=4 125 B11R2.10 NC1=NC2=CC=CC=C2S1 O30669 [0,0,0,1,0,0|2,0,1]=4 126 B11R2.10 O=C1CC2=C(C=NC=C2)N1 L14128 [0,0,0,1,0,0|2,0,1]=4 127 B11R2.10 O=C1CC2=CC=CN=C2N1 C-2476 [0,0,0,1,0,0|2,0,1]=4 128 B11R2.10 O=C1CC2=CC=CN=C2N1 C-2476-01 [0,0,0,1,0,0|2,0,1]=4 129 B11R2.10 O=C1CC2=CC=NC=C2N1 C-2345 [0,0,0,1,0,0|2,0,1]=4 130 B11R2.10 O=C1CC2=CN=CC=C2N1 C-3239 [0,0,0,1,0,0|2,0,1]=4 131 B11R2.10 O=C1CC2=NC=CC=C2N1 C-2343 [0,0,0,1,0,0|2,0,1]=4 132 B11R2.238 C1=CC(CC2CO2)=CC=N1 Q53152 [0,0,0,1,0,0|2,0,0]=3 133 B11R2.238 C1=CC=C(NC2CC2)C=C1 M22854 [0,0,0,1,0,0|2,0,0]=3 134 B9R1.6 CC(=O)C1=CC=CN=C1 P44672 [0,0,0,0,1,0|2,0,1]=4 135 B9R1.6 CC(C)C1=NC=CC=C1 C-3354 [0,0,0,0,1,0|2,0,0]=3 136 B9R1.6 CC(N)C1=CC=NC=C1 P37797 [0,0,0,0,1,0|1,0,0]=2 137 B9R1.6 CC(N)C1=CC=NC=N1 Q51822 [0,0,0,0,1,0|2,0,0]=3 138 B9R1.6 CC(N)C1=CC=NN=C1 G-7533 [0,0,0,0,1,0|2,0,0]=3 139 B9R1.6 CC(N)C1=CC=NN=C1 L13924 [0,0,0,0,1,0|2,0,0]=3 140 B9R1.6 CC(N)C1=CN=CN=C1 G-5168 [0,0,0,0,1,0|2,0,0]=3 141 B9R1.6 CC(N)C1=CN=CN=C1 Q51812 [0,0,0,0,1,0|2,0,0]=3 142 B9R1.6 CC(N)C1=NC=CC=C1 P38151 [0,0,0,0,1,0|1,0,0]=2 143 B9R1.6 CC(N)C1=NC=CC=N1 Q55479 [0,0,0,0,1,0|2,0,0]=3 144 B9R1.6 CC(O)C1=CN=CN=C1 Q55478 [0,0,0,0,1,0|3,0,0]=4 145 B9R1.6 CS(=O)C1=NC=CC=C1 O34232 [0,0,0,0,1,0|3,0,0]=4 146 B9R1.6 C[C@@H](N)C1=CC=NC=C1 Q53046 [0,0,0,0,1,0|1,0,0]=2 147 B9R1.6 C[C@@H](N)C1=CN=CC=C1 Q54675 [0,0,0,0,1,0|1,0,0]=2 148 B9R1.6 C[C@@H](N)C1=CN=CN=C1 I-9747 [0,0,0,0,1,0|2,0,0]=3 149 B9R1.6 C[C@@H](N)C1=NC=CC=N1 Q57196 [0,0,0,0,1,0|2,0,0]=3 150 B9R1.6 C[C@H](N)C1=CN=CN=C1 Q51933 [0,0,0,0,1,0|2,0,0]=3 151 B9R1.6 C[C@H](N)C1=NC=CC=N1 Q57195 [0,0,0,0,1,0|2,0,0]=3 152 B9R1.6 C[C@H](N)C1=NC=CC=N1 Q65669 [0,0,0,0,1,0|2,0,0]=3 153 B9R1.6 N=C(N)C1=NC=CC=C1 O34083 [0,0,0,0,1,0|2,0,1]=4 154 B9R1.13 CC(C)CN1C=CC=N1 Q67249 [0,0,0,0,1,0|3,0,0]=4 155 B11R1.91 CC(=O)C#CC1=CC=CC=C1 P40366 [0,0,0,0,0,1|1,0,2]=4 156 B11R1.91 CC(N)COC1=CC=CC=C1 P38614 [0,0,0,0,0,1|0,0,0]=1 157 B11R1.91 NC(=O)COC1=CC=CC=C1 P51047 [0,0,0,0,0,1|1,0,1]=3 158 B8R1.2 BrCC1=CC=CN=C1 P36550 [2,0,0,0,0,0|2,0,0]=4 159 B8R1.2 ICC1=CC=CC=C1 P37031 [2,0,0,0,0,0|1,0,0]=3 160 B8R1.2 NCC1=CC=CN=N1 L21914 [2,0,0,0,0,0|2,0,0]=4 161 B8R1.2 NCC1=CC=NC=C1 O30621 [2,0,0,0,0,0|1,0,0]=3 162 B8R1.2 NCC1=CC=NC=N1 C-2474 [2,0,0,0,0,0|2,0,0]=4 163 B8R1.2 NCC1=CC=NC=N1 L13752 [2,0,0,0,0,0|2,0,0]=4 164 B8R1.2 NCC1=CC=NN=C1 C-3221 [2,0,0,0,0,0|2,0,0]=4 165 B8R1.2 NCC1=CC=NN=C1 C-3221-01 [2,0,0,0,0,0|2,0,0]=4 166 B8R1.2 NCC1=CN=CN=C1 C-3222 [2,0,0,0,0,0|2,0,0]=4 167 B8R1.2 NCC1=CN=CN=C1 L14043 [2,0,0,0,0,0|2,0,0]=4 168 B8R1.2 NCC1=NC=CC=N1 C-3224 [2,0,0,0,0,0|2,0,0]=4 169 B8R1.2 NCC1=NC=CC=N1 C-3224-1 [2,0,0,0,0,0|2,0,0]=4 170 B8R1.2 NCC1=NC=CN=C1 C-3223 [2,0,0,0,0,0|2,0,0]=4 171 B8R1.2 NCC1=NN=CC=C1 C-2473 [2,0,0,0,0,0|2,0,0]=4 172 B8R1.2 NNC1=CC=CN=C1 C-3227 [2,0,0,0,0,0|2,0,0]=4 173 B8R1.2 NNC1=CC=NC=C1 C-3226 [2,0,0,0,0,0|2,0,0]=4 174 B8R1.2 NNC1=CC=NC=C1 L19135 [2,0,0,0,0,0|2,0,0]=4 175 B8R1.2 NNC1=CC=NC=C1 O31964 [2,0,0,0,0,0|2,0,0]=4 176 B10R1.1 BrC1=CC=C(CCI)C=C1 P35777 [1,1,0,0,0,0|1,0,0]=3 177 B10R1.1 BrCCC1=CC=C(Br)C=C1 P40516 [1,1,0,0,0,0|1,0,0]=3 178 B10R1.1 CC1=CC=C(CCN)N=C1 Q58444 [1,1,0,0,0,0|1,0,0]=3 179 B10R1.1 CC1=CN=C(CCN)N=C1 Q58694 [1,1,0,0,0,0|2,0,0]=4 180 B10R1.1 CCCC1=CC=C(N)N=C1 Q52924 [1,1,0,0,0,0|1,0,0]=3 181 B10R1.1 CCNC1=CC=C(Br)C=C1 P36614 [1,1,0,0,0,0|1,0,0]=3 182 B10R1.1 CCNC1=CC=C(Cl)C=C1 P41554 [1,1,0,0,0,0|1,0,0]=3 183 B10R1.1 CCNC1=CC=C(F)C=C1 O32514 [1,1,0,0,0,0|1,0,0]=3 184 B10R1.1 CCNC1=CC=C(N)C=C1 P37237 [1,1,0,0,0,0|1,0,0]=3 185 B10R1.1 CCNC1=CC=C(N)C=N1 Q58250 [1,1,0,0,0,0|2,0,0]=4 186 B10R1.1 CCNC1=NC=C(Br)C=C1 P35747 [1,1,0,0,0,0|2,0,0]=4 187 B10R1.1 CCOC1=CC=C(F)C=C1 M23303 [1,1,0,0,0,0|1,0,0]=3 188 B10R1.1 CCOC1=NC=C(Cl)C=C1 N25842 [1,1,0,0,0,0|2,0,0]=4 189 B10R1.1 CCOC1=NC=C(F)C=C1 N24463 [1,1,0,0,0,0|2,0,0]=4 190 B10R1.1 CNCC1=CC=C(Br)N=C1 P42296 [1,1,0,0,0,0|2,0,0]=4 191 B10R1.1 CNCC1=CC=C(Cl)C=C1 P42874 [1,1,0,0,0,0|1,0,0]=3 192 B10R1.1 CNCC1=CC=C(N)C=C1 P38425 [1,1,0,0,0,0|1,0,0]=3 193 B10R1.1 CNCC1=CC=C(O)C=C1 P36065 [1,1,0,0,0,0|1,0,0]=3 194 B10R1.1 CNCC1=CN=C(Cl)C=C1 P42297 [1,1,0,0,0,0|2,0,0]=4 195 B10R1.1 CNCC1=CNC(=O)C=C1 L19901 [1,1,0,0,0,0|2,0,0]=4 196 B10R1.1 COCC1=CC=C(Br)C=C1 Q67196 [1,1,0,0,0,0|1,0,0]=3 197 B10R1.1 COCC1=CN=C(Br)C=C1 N25975 [1,1,0,0,0,0|2,0,0]=4 198 B10R1.1 COCC1=NC=C(Br)C=C1 N27297 [1,1,0,0,0,0|2,0,0]=4 199 B10R1.1 FC1=CC=C(CCBr)C=C1 I-9285 [1,1,0,0,0,0|1,0,0]=3 200 B10R1.1 NCCC1=CC=C(Cl)N=C1 P37543 [1,1,0,0,0,0|1,0,0]=3 201 B10R1.1 NCCC1=CC=C(F)C=N1 Q58446 [1,1,0,0,0,0|1,0,0]=3 202 B10R1.1 NCCC1=CC=C(I)C=C1 P36354 [1,1,0,0,0,0|0,0,0]=2 203 B10R1.1 NCCC1=CN=C(Cl)N=C1 Q65338 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.1 NCCC1=CN=C(Cl)N=C1 Q65339 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.1 NCCC1=NC=C(Br)C=C1 G-5600 [1,1,0,0,0,0|1,0,0]=3 206 B10R1.1 NNCC1=CC=C(Br)C=C1 C-3250 [1,1,0,0,0,0|1,0,0]=3 207 B10R1.1 NNCC1=CC=C(Br)C=C1 I-9319 [1,1,0,0,0,0|1,0,0]=3 208 B10R1.1 NNCC1=CC=C(Cl)C=C1 C-3251 [1,1,0,0,0,0|1,0,0]=3 209 B10R1.1 NNCC1=CC=C(Cl)C=C1 Q51808 [1,1,0,0,0,0|1,0,0]=3 210 B10R1.1 NNCC1=CC=C(F)C=C1 C-3247 [1,1,0,0,0,0|1,0,0]=3 211 B10R1.1 NOCC1=CC=C(Cl)C=C1 O31868 [1,1,0,0,0,0|1,0,0]=3 212 B10R1.1 NOCC1=CC=C(F)C=C1 10767 [1,1,0,0,0,0|1,0,0]=3 213 B10R1.1 OCCC1=NC=C(Br)C=C1 G-5598 [1,1,0,0,0,0|2,0,0]=4 214 B10R1.1 OCCC1=NC=C(F)C=C1 O33379 [1,1,0,0,0,0|2,0,0]=4 215 B10R1.4 BrCCC1=CC=CC=C1Br O28100 [1,1,0,0,0,0|1,0,0]=3 216 B10R1.4 CC1=CC=CC=C1CCBr O28115 [1,1,0,0,0,0|1,0,0]=3 217 B10R1.4 CC1=CC=CN=C1CCN P35791 [1,1,0,0,0,0|1,0,0]=3 218 B10R1.4 CCCC1=C(C)C=CN=C1 N27219 [1,1,0,0,0,0|1,0,0]=3 219 B10R1.4 CCNC1=CC=CC=C1Br P36583 [1,1,0,0,0,0|1,0,0]=3 220 B10R1.4 CCNC1=CC=CC=C1Cl P41555 [1,1,0,0,0,0|1,0,0]=3 221 B10R1.4 CCNC1=CC=CC=C1F P39148 [1,1,0,0,0,0|1,0,0]=3 222 B10R1.4 CCNC1=CC=CC=C1N P39464 [1,1,0,0,0,0|1,0,0]=3 223 B10R1.4 CCNC1=CN=CC=C1C Q58450 [1,1,0,0,0,0|2,0,0]=4 224 B10R1.4 CCOC1=C(N)C=CN=C1 O29937 [1,1,0,0,0,0|2,0,0]=4 225 B10R1.4 CCOC1=CC=CN=C1F N26164 [1,1,0,0,0,0|2,0,0]=4 226 B10R1.4 CCOC1=NC=CC=C1Br N24847 [1,1,0,0,0,0|2,0,0]=4 227 B10R1.4 CCOC1=NC=CC=C1Cl N25582 [1,1,0,0,0,0|2,0,0]=4 228 B10R1.4 CCOC1=NC=CC=C1I P36178 [1,1,0,0,0,0|2,0,0]=4 229 B10R1.4 CCOC1=NC=CC=C1N P37716 [1,1,0,0,0,0|2,0,0]=4 230 B10R1.4 CCOC1=NC=CC=C1O O31077 [1,1,0,0,0,0|2,0,0]=4 231 B10R1.4 CNCC1=CC=CC=C1C P35580 [1,1,0,0,0,0|1,0,0]=3 232 B10R1.4 CNCC1=CC=CC=C1N P40191 [1,1,0,0,0,0|1,0,0]=3 233 B10R1.4 CNCC1=NC=CC=C1F Q56455 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.4 CNCC1=NC=CC=C1F Q56456 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.4 COCC1=CC=CC=C1Br Q67462 [1,1,0,0,0,0|1,0,0]=3 236 B10R1.4 NC1=C(CCF)C=NC=C1 Q65355 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.4 NCCC1=C(Br)C=CC=N1 L13097 [1,1,0,0,0,0|1,0,0]=3 238 B10R1.4 NCCC1=CC=CC=C1N P42500 [1,1,0,0,0,0|0,0,0]=2 239 B10R1.4 NCCC1=CC=CC=C1O M22991 [1,1,0,0,0,0|0,0,0]=2 240 B10R1.4 NCCC1=NC=CC=C1F Q58445 [1,1,0,0,0,0|1,0,0]=3 241 B10R1.4 NCCN1C=CC=NC1=O L18972 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.4 NCCN1N=CC=CC1=O L20650 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.4 NNCC1=C(Br)C=CC=C1 G-5141 [1,1,0,0,0,0|1,0,0]=3 244 B10R1.4 NNCC1=C(Br)C=CC=C1 Q51807 [1,1,0,0,0,0|1,0,0]=3 245 B10R1.4 NNCC1=C(Cl)C=CC=C1 C-3252 [1,1,0,0,0,0|1,0,0]=3 246 B10R1.4 NNCC1=C(F)C=CC=C1 C-3249 [1,1,0,0,0,0|1,0,0]=3 247 B10R1.4 OC1=CC=CC=C1CCBr P37343 [1,1,0,0,0,0|1,0,0]=3 248 B10R1.4 OCCC1=C(Cl)C=NC=C1 Q69549 [1,1,0,0,0,0|2,0,0]=4 249 B10R1.4 OCCC1=CC=CC=C1O P36102 [1,1,0,0,0,0|1,0,0]=3 250 B10R1.4 OCCC1=NC=CC=C1F L14825 [1,1,0,0,0,0|2,0,0]=4 251 B10R1.10 CC1=CC(CCBr)=CC=C1 P40673 [1,1,0,0,0,0|1,0,0]=3 252 B10R1.10 CC1=CC(CCCl)=CC=C1 P38353 [1,1,0,0,0,0|1,0,0]=3 253 B10R1.10 CC1=CC(CCI)=CC=C1 M23009 [1,1,0,0,0,0|1,0,0]=3 254 B10R1.10 CC1=CC(CCN)=CC=C1 P37429 [1,1,0,0,0,0|0,0,0]=2 255 B10R1.10 CC1=CC(CCN)=NC=C1 Q53269 [1,1,0,0,0,0|1,0,0]=3 256 B10R1.10 CC1=CC=CC(CCO)=N1 Q52530 [1,1,0,0,0,0|2,0,0]=4 257 B10R1.10 CC1=CN=CC(CCN)=C1 Q64732 [1,1,0,0,0,0|1,0,0]=3 258 B10R1.10 CC1=CN=CC(CCO)=C1 Q64733 [1,1,0,0,0,0|2,0,0]=4 259 B10R1.10 CC1=NC=CC(CCN)=C1 O31989 [1,1,0,0,0,0|1,0,0]=3 260 B10R1.10 CCCC1=CC=CC(N)=C1 M23710 [1,1,0,0,0,0|0,0,0]=2 261 B10R1.10 CCCC1=CC=CC(N)=N1 O31120 [1,1,0,0,0,0|1,0,0]=3 262 B10R1.10 CCNC1=CC=CC(Br)=C1 P38317 [1,1,0,0,0,0|1,0,0]=3 263 B10R1.10 CCNC1=CC=CC(Cl)=C1 P41014 [1,1,0,0,0,0|1,0,0]=3 264 B10R1.10 CCNC1=CC=CC(F)=C1 P39149 [1,1,0,0,0,0|1,0,0]=3 265 B10R1.10 CCOC1=CC(Br)=NC=C1 Q52481 [1,1,0,0,0,0|2,0,0]=4 266 B10R1.10 CCOC1=CC(C)=CN=C1 N27267 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.10 CCOC1=CC(Cl)=NC=C1 N24567 [1,1,0,0,0,0|2,0,0]=4 268 B10R1.10 CCOC1=CC=CC(F)=C1 Q66827 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.10 CCOC1=CC=CC(N)=N1 O30214 [1,1,0,0,0,0|2,0,0]=4 270 B10R1.10 CCOC1=NC=CC(Br)=C1 N24697 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.10 CCOC1=NC=CC(I)=C1 N26426 [1,1,0,0,0,0|2,0,0]=4 272 B10R1.10 CCOC1=NC=CC(N)=C1 P51356 [1,1,0,0,0,0|2,0,0]=4 273 B10R1.10 CNCC1=CC(Cl)=NC=C1 P36290 [1,1,0,0,0,0|2,0,0]=4 274 B10R1.10 CNCC1=CC(F)=CN=C1 P42788 [1,1,0,0,0,0|2,0,0]=4 275 B10R1.10 CNCC1=CC(O)=CC=C1 P42117 [1,1,0,0,0,0|1,0,0]=3 276 B10R1.10 CNCC1=CC=CC(=O)N1 L20412 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.10 CNCC1=CC=CC(C)=C1 P38357 [1,1,0,0,0,0|1,0,0]=3 278 B10R1.10 COCC1=CC(Br)=CC=C1 Q67458 [1,1,0,0,0,0|1,0,0]=3 279 B10R1.10 COCC1=CN=CC(Br)=C1 Q67548 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.10 COCC1=NC=CC(N)=C1 Q56240 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.10 CSCC1=CC(N)=NC=C1 F-4303 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.10 FC1=CC(CCBr)=CC=C1 P39371 [1,1,0,0,0,0|1,0,0]=3 283 B10R1.10 FC1=CN=CC(CCBr)=C1 Q64580 [1,1,0,0,0,0|2,0,0]=4 284 B10R1.10 N#CCC1=CC=CC(N)=C1 P37983 [1,1,0,0,0,0|0,0,2]=4 285 B10R1.10 NC1=CC(CCO)=CC=C1 O31199 [1,1,0,0,0,0|1,0,0]=3 286 B10R1.10 NC1=CC(CCO)=NC=C1 Q53462 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.10 NCCC1=CC(Br)=NC=C1 H-8231 [1,1,0,0,0,0|1,0,0]=3 288 B10R1.10 NCCC1=CC(F)=CN=C1 Q64579 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.10 NCCC1=CC(O)=CC=C1 M23068 [1,1,0,0,0,0|0,0,0]=2 290 B10R1.10 NCCC1=CC=CC(Cl)=C1 G-6963 [1,1,0,0,0,0|0,0,0]=2 291 B10R1.10 NCCC1=CC=CC(I)=C1 P34955 [1,1,0,0,0,0|0,0,0]=2 292 B10R1.10 NCCC1=CC=CC(N)=C1 P36157 [1,1,0,0,0,0|0,0,0]=2 293 B10R1.10 NCCC1=NC=CC(F)=C1 Q53270 [1,1,0,0,0,0|1,0,0]=3 294 B10R1.10 NNCC1=CC(Br)=CN=C1 Q51914 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.10 NNCC1=CC(Cl)=CC=C1 Q51809 [1,1,0,0,0,0|1,0,0]=3 296 B10R1.10 NNCC1=CC(F)=CC=C1 C-3248 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.10 NNCC1=CC(F)=CC=C1 Q51806 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.10 NNCC1=CC=CC(Br)=C1 L20978 [1,1,0,0,0,0|1,0,0]=3 299 B10R1.10 OCCC1=CC(F)=CN=C1 Q64578 [1,1,0,0,0,0|2,0,0]=4 300 B10R1.10 OCCC1=CC=CC(O)=C1 P41607 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.10 OCCC1=NC(Cl)=CC=C1 Q69232 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.10 OCCC1=NC=CC(Br)=C1 S72505 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.15 CCC(=O)C1=CC=CN=C1 P40926 [1,1,0,0,0,0|1,0,1]=4 304 B10R1.15 CCC(=O)C1=CC=NC=C1 P40626 [1,1,0,0,0,0|1,0,1]=4 305 B10R1.15 CCC(=O)C1=NC=CC=C1 P38825 [1,1,0,0,0,0|1,0,1]=4 306 B10R1.15 CCC(N)C1=CC=CC=C1 P39015 [1,1,0,0,0,0|0,0,0]=2 307 B10R1.15 CCC(N)C1=NC=CN=C1 L13036 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 P40939 [1,1,0,0,0,0|0,0,0]=2 309 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 P40176 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.15 CN[C@H](C)C1=CC=CC=C1 P37197 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.15 N=C(NN)C1=CC=CC=C1 O30004 [1,1,0,0,0,0|1,0,1]=4 312 B10R1.15 NC(CO)C1=CC=NC=C1 Q53510 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.15 NCC(N)C1=CC=CC=C1 P40726 [1,1,0,0,0,0|0,0,0]=2 314 B10R1.15 NCC(O)C1=CC=CN=C1 O32747 [1,1,0,0,0,0|1,0,0]=3 315 B10R1.15 NCC(O)C1=CC=CN=C1 P43089 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.15 NCC(O)C1=CC=NC=C1 P35258 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.15 NCC(O)C1=NC=CC=C1 P35259 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 P43243 [1,1,0,0,0,0|0,0,0]=2 319 B10R1.15 NC[C@H](O)C1=CC=CC=C1 P43317 [1,1,0,0,0,0|0,0,0]=2 320 B10R1.15 OC(CCl)C1=CC=CN=C1 O32660 [1,1,0,0,0,0|2,0,0]=4 321 B10R1.17 C#CCOC1=CC=CC=C1 P41520 [1,1,0,0,0,0|0,0,2]=4 322 B10R1.17 C=COCC1=CC=CC=C1 I-9956 [1,1,0,0,0,0|0,0,2]=4 323 B10R1.17 CCCCC1=CC=NC=C1 O30545 [1,1,0,0,0,0|1,0,0]=3 324 B10R1.17 CNCCC1=CC=CC=C1 P37213 [1,1,0,0,0,0|0,0,0]=2 325 B10R1.17 CNCCC1=CC=NC=C1 P37446 [1,1,0,0,0,0|1,0,0]=3 326 B10R1.17 CNCCC1=NC=CC=C1 P40087 [1,1,0,0,0,0|1,0,0]=3 327 B10R1.17 ICCCC1=CC=CC=C1 P38180 [1,1,0,0,0,0|0,0,0]=2 328 B10R1.17 NCC#CC1=CC=CC=N1 Q58471 [1,1,0,0,0,0|1,0,1]=4 329 B10R1.17 NCC#CC1=CC=CC=N1 Q58472 [1,1,0,0,0,0|1,0,1]=4 330 B10R1.17 NCCCC1=CC=NC=C1 P38929 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.17 NCCNC1=NC=CC=C1 P34736 [1,1,0,0,0,0|1,0,0]=3 332 B10R1.17 NCCNC1=NC=CC=C1 P36299 [1,1,0,0,0,0|1,0,0]=3 333 B10R1.17 NCCOC1=CC=CN=C1 O34354 [1,1,0,0,0,0|1,0,0]=3 334 B10R1.17 NCCOC1=CC=NC=C1 P51450 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.17 NCCOC1=NC=CC=C1 O34316 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.17 NC\C=C\C1=CC=CN=C1 Q58489 [1,1,0,0,0,0|1,0,1]=4 337 B10R1.17 NNCCC1=CC=NC=C1 Q58254 [1,1,0,0,0,0|1,0,0]=3 338 B10R1.17 O=CCCC1=CC=NC=C1 Q60378 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.17 O=CCOC1=CC=CC=C1 K12296 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.17 OCCCC1=NC=CC=C1 P39056 [1,1,0,0,0,0|1,0,0]=3 341 B10R1.13 CC(Br)C1=CC=C(Br)C=C1 P51612 [0,1,0,0,1,0|1,0,0]=3 342 B10R1.13 CC(Br)C1=CC=C(Cl)C=C1 M23061 [0,1,0,0,1,0|1,0,0]=3 343 B10R1.13 CC(C)C1=CN=C(N)C=C1 O34069 [0,1,0,0,1,0|2,0,0]=4 344 B10R1.13 CC(C)C1=NC=C(N)C=C1 G-7522 [0,1,0,0,1,0|2,0,0]=4 345 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 P36954 [0,1,0,0,1,0|0,0,0]=2 346 B10R1.13 CC(N)C1=NC=C(Br)C=N1 Q58772 [0,1,0,0,1,0|2,0,0]=4 347 B10R1.13 CC(N)C1=NC=C(F)C=C1 C-3369 [0,1,0,0,1,0|1,0,0]=3 348 B10R1.13 CC(N)C1=NC=C(F)C=N1 L14507 [0,1,0,0,1,0|2,0,0]=4 349 B10R1.13 CC(N)C1=NC=C(F)C=N1 P51601 [0,1,0,0,1,0|2,0,0]=4 350 B10R1.13 CC(O)C1=CC=C(Cl)N=C1 P39514 [0,1,0,0,1,0|2,0,0]=4 351 B10R1.13 CC(O)C1=CC=C(N)C=C1 P41199 [0,1,0,0,1,0|1,0,0]=3 352 B10R1.13 CC(O)C1=CC=C(O)C=C1 P39467 [0,1,0,0,1,0|1,0,0]=3 353 B10R1.13 CC(O)C1=CN=C(Br)C=C1 N26195 [0,1,0,0,1,0|2,0,0]=4 354 B10R1.13 CC1=CC=C(C(C)Br)C=C1 M23020 [0,1,0,0,1,0|1,0,0]=3 355 B10R1.13 CC1=CC=C(C(C)O)C=N1 P43130 [0,1,0,0,1,0|2,0,0]=4 356 B10R1.13 C[C@@H](N)C1=CN=C(Cl)N=C1 F-4669 [0,1,0,0,1,0|2,0,0]=4 357 B10R1.13 C[C@@H](O)C1=CC=C(Br)N=C1 Q64116 [0,1,0,0,1,0|2,0,0]=4 358 B10R1.13 C[C@@H](O)C1=NC=C(Br)C=C1 Q62335 [0,1,0,0,1,0|2,0,0]=4 359 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 O32464 [0,1,0,0,1,0|1,0,0]=3 360 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 O32601 [0,1,0,0,1,0|2,0,0]=4 361 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 Q55738 [0,1,0,0,1,0|2,0,0]=4 362 B10R1.13 C[C@H](O)C1=CC=C(Br)N=C1 Q64115 [0,1,0,0,1,0|2,0,0]=4 363 B10R1.13 C[C@H](O)C1=NC=C(Br)C=C1 Q62334 [0,1,0,0,1,0|2,0,0]=4 364 B10R1.13 FC(F)C1=CC=C(Br)C=C1 P37690 [0,1,0,0,1,0|2,0,0]=4 365 B10R1.13 NC1=CC=C(C(F)F)C=C1 M23361 [0,1,0,0,1,0|2,0,0]=4 366 B10R1.28 CC(C)(N)C1=CC=CN=C1 S72454 [0,1,0,0,1,0|1,0,0]=3 367 B10R1.28 CC(C)(N)C1=NC=CC=C1 O32487 [0,1,0,0,1,0|1,0,0]=3 368 B10R1.28 CC(C)(N)C1=NC=CC=C1 O32488 [0,1,0,0,1,0|1,0,0]=3 369 B10R1.28 CC(C)(N)C1=NC=CC=C1 O32489 [0,1,0,0,1,0|1,0,0]=3 370 B10R1.28 CC(C)(O)C1=NC=CC=C1 M15802 [0,1,0,0,1,0|2,0,0]=4 371 B10R1.28 NP(N)(=O)C1=CC=CC=C1 L19832 [0,1,0,0,1,0|2,0,0]=4 372 B10R1.61 CC(Br)C1=CC=CC=C1F O31043 [0,1,0,0,1,0|1,0,0]=3 373 B10R1.61 CC(C)C1=C(Br)C=NC=C1 Q54489 [0,1,0,0,1,0|2,0,0]=4 374 B10R1.61 CC(C)C1=CC=CN=C1N O33456 [0,1,0,0,1,0|2,0,0]=4 375 B10R1.61 CC(Cl)C1=CC=CC=C1Cl P40025 [0,1,0,0,1,0|1,0,0]=3 376 B10R1.61 CC(N)C1=CC=CC=C1Br O34378 [0,1,0,0,1,0|0,0,0]=2 377 B10R1.61 CC(N)C1=CC=CC=C1Cl P38305 [0,1,0,0,1,0|0,0,0]=2 378 B10R1.61 CC(N)C1=CC=CC=C1F P36297 [0,1,0,0,1,0|0,0,0]=2 379 B10R1.61 CC(N)C1=CC=CC=C1N P38310 [0,1,0,0,1,0|0,0,0]=2 380 B10R1.61 CC(O)C1=C(F)C=NC=C1 Q65366 [0,1,0,0,1,0|2,0,0]=4 381 B10R1.61 CC(O)C1=CC=CN=C1Br O30716 [0,1,0,0,1,0|2,0,0]=4 382 B10R1.61 CC(O)C1=CC=CN=C1Cl P41711 [0,1,0,0,1,0|2,0,0]=4 383 B10R1.61 CC(O)C1=CC=CN=C1F N26796 [0,1,0,0,1,0|2,0,0]=4 384 B10R1.61 CC1=CC=CC=C1C(C)N P38147 [0,1,0,0,1,0|0,0,0]=2 385 B10R1.61 CN(C)C1=CC=CC=C1O P38469 [0,1,0,0,1,0|2,0,0]=4 386 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 H-8943 [0,1,0,0,1,0|1,0,0]=3 387 B10R1.61 C[C@@H](O)C1=CC=CN=C1N Q62533 [0,1,0,0,1,0|2,0,0]=4 388 B10R1.61 C[C@H](N)C1=CC=CC=C1Br P51405 [0,1,0,0,1,0|0,0,0]=2 389 B10R1.61 C[C@H](O)C1=CC=CC=C1Cl P41701 [0,1,0,0,1,0|1,0,0]=3 390 B10R1.61 C[C@H](O)C1=CC=CN=C1N Q62532 [0,1,0,0,1,0|2,0,0]=4 391 B10R1.61 N=C(N)C1=CC=CC=C1F P51589 [0,1,0,0,1,0|1,0,1]=4 392 B10R1.113 C=C(C)C1=CC(C)=CC=C1 P42602 [0,1,0,0,1,0|1,0,1]=4 393 B10R1.113 CC(C)C1=CC(Cl)=NC=C1 Q52823 [0,1,0,0,1,0|2,0,0]=4 394 B10R1.113 CC(C)C1=CC(O)=NC=C1 Q52824 [0,1,0,0,1,0|2,0,0]=4 395 B10R1.113 CC(C)C1=CC=CC(I)=N1 N26566 [0,1,0,0,1,0|2,0,0]=4 396 B10R1.113 CC(C)C1=CN=CC(O)=C1 Q52825 [0,1,0,0,1,0|2,0,0]=4 397 B10R1.113 CC(N)C1=CC(N)=CC=C1 P41777 [0,1,0,0,1,0|0,0,0]=2 398 B10R1.113 CC(N)C1=CC(O)=CC=C1 P36908 [0,1,0,0,1,0|0,0,0]=2 399 B10R1.113 CC(N)C1=CC=CC(Br)=C1 O34417 [0,1,0,0,1,0|0,0,0]=2 400 B10R1.113 CC(N)C1=CC=CC(Br)=C1 P36288 [0,1,0,0,1,0|0,0,0]=2 401 B10R1.113 CC(N)C1=CC=CC(Cl)=C1 P39424 [0,1,0,0,1,0|0,0,0]=2 402 B10R1.113 CC(N)C1=CC=CC(F)=C1 P36296 [0,1,0,0,1,0|0,0,0]=2 403 B10R1.113 CC(N)C1=CN=CC(F)=C1 Q58352 [0,1,0,0,1,0|1,0,0]=3 404 B10R1.113 CC(N)C1=CN=CC(F)=C1 Q58353 [0,1,0,0,1,0|1,0,0]=3 405 B10R1.113 CC(O)C1=CC(Cl)=NC=C1 P42079 [0,1,0,0,1,0|2,0,0]=4 406 B10R1.113 CC(O)C1=NC=CC(Br)=C1 Q53431 [0,1,0,0,1,0|2,0,0]=4 407 B10R1.113 CC1=CC(C(C)N)=CC=C1 O30538 [0,1,0,0,1,0|0,0,0]=2 408 B10R1.113 CC1=CC(C(C)N)=CC=C1 P36543 [0,1,0,0,1,0|0,0,0]=2 409 B10R1.113 CC1=NC(C(C)N)=NC=C1 Q58773 [0,1,0,0,1,0|2,0,0]=4 410 B10R1.113 CC1=NC([C@@H](C)N)=CC=C1 Q58193 [0,1,0,0,1,0|1,0,0]=3 411 B10R1.113 CC1=NC([C@H](C)N)=CC=C1 Q58196 [0,1,0,0,1,0|1,0,0]=3 412 B10R1.113 CC1=NC=NC(C(C)N)=C1 Q56712 [0,1,0,0,1,0|2,0,0]=4 413 B10R1.113 CN(C)C1=CC=CC(F)=C1 P39813 [0,1,0,0,1,0|2,0,0]=4 414 B10R1.113 C[C@@H](N)C1=CC(Cl)=NC=C1 F-4328 [0,1,0,0,1,0|1,0,0]=3 415 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 O29507 [0,1,0,0,1,0|1,0,0]=3 416 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 P43499 [0,1,0,0,1,0|1,0,0]=3 417 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 P51333 [0,1,0,0,1,0|0,0,0]=2 418 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 P37042 [0,1,0,0,1,0|1,0,1]=4 419 B10R1.27 N[C@@H](CO)CC1=CNC=N1 P36246 [0,1,0,0,1,0|2,0,0]=4 420 B10R1.27 N[C@H](CO)CC1=CNC=N1 P40873 [0,1,0,0,1,0|2,0,0]=4 421 B12R1.21 CC(=O)NCC1=CC=C(Br)C=C1 P35246 [0,1,0,0,0,1|1,0,1]=4 422 B12R1.21 CC(C)COC1=CC=C(Br)C=C1 N25559 [0,1,0,0,0,1|1,0,0]=3 423 B12R1.21 CC(C)COC1=CC=C(F)C=C1 N26826 [0,1,0,0,0,1|1,0,0]=3 424 B12R1.21 CC(C)COC1=NC=C(Br)C=C1 Q67764 [0,1,0,0,0,1|2,0,0]=4 425 B12R1.21 CC(C)NCC1=CC=C(Br)C=C1 P37152 [0,1,0,0,0,1|1,0,0]=3 426 B12R1.21 CC(C)NCC1=CC=C(Cl)C=C1 P38287 [0,1,0,0,0,1|1,0,0]=3 427 B12R1.21 CC(C)NCC1=CC=C(F)C=C1 P41482 [0,1,0,0,0,1|1,0,0]=3 428 B12R1.21 CC(N)COC1=CC=C(Br)C=C1 P36534 [0,1,0,0,0,1|0,0,0]=2 429 B12R1.21 CC(N)COC1=CC=C(Cl)C=C1 P39492 [0,1,0,0,0,1|0,0,0]=2 430 B12R1.21 CC(N)COC1=CC=C(F)C=C1 P42374 [0,1,0,0,0,1|0,0,0]=2 431 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 P36503 [0,1,0,0,0,1|1,0,0]=3 432 B12R1.21 CC1=CC=C(OCC(C)N)C=C1 P39024 [0,1,0,0,0,1|0,0,0]=2 433 B12R1.21 CN(C)CCC1=CC=C(N)C=C1 P37394 [0,1,0,0,0,1|2,0,0]=4 434 B12R1.21 NC(=O)CCC1=CC=C(Br)C=C1 P37285 [0,1,0,0,0,1|1,0,1]=4 435 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 P38386 [0,1,0,0,0,1|1,0,1]=4 436 B12R1.21 NC(=O)CNC1=CC=C(N)C=C1 Q66022 [0,1,0,0,0,1|1,0,1]=4 437 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 P37247 [0,1,0,0,0,1|1,0,1]=4 438 B12R1.27 C#CC(O)CCC1=CC=CC=C1 L19306 [0,1,0,0,0,1|1,0,1]=4 439 B12R1.27 CC(CO)NCC1=CC=CC=C1 Q66178 [0,1,0,0,0,1|1,0,0]=3 440 B12R1.27 CC(CO)NCC1=CC=CC=N1 Q58145 [0,1,0,0,0,1|2,0,0]=4 441 B12R1.27 CC(CO)NCC1=CC=CN=C1 Q58150 [0,1,0,0,0,1|2,0,0]=4 442 B12R1.27 CC(CO)NCC1=CC=NC=C1 Q58149 [0,1,0,0,0,1|2,0,0]=4 443 B12R1.27 CC(CO)OCC1=CC=CC=C1 P36528 [0,1,0,0,0,1|1,0,0]=3 444 B12R1.27 COC(=O)CNC1=CC=CC=C1 P39503 [0,1,0,0,0,1|1,0,1]=4 445 B12R1.27 COC(=O)NCC1=CC=CC=C1 O34236 [0,1,0,0,0,1|1,0,1]=4 446 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 O31764 [0,1,0,0,0,1|1,0,0]=3 447 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 10174 [0,1,0,0,0,1|1,0,0]=3 448 B12R1.27 NNC(=O)CCC1=CC=CC=C1 P38586 [0,1,0,0,0,1|1,0,1]=4 449 B12R1.27 OC(CCl)COC1=CC=CC=C1 O34043 [0,1,0,0,0,1|1,0,0]=3 450 B12R1.43 CC(C)C(=O)CC1=CC=CN=C1 Q58395 [0,1,0,0,0,1|2,0,0]=4 451 B12R1.107 CC(C)CC(=O)C1=CC=CN=C1 P35917 [0,1,0,0,0,1|2,0,0]=4 452 B12R1.107 CC(C)N[C@@H](C)C1=CC=CC=C1 L20607 [0,1,0,0,0,1|1,0,0]=3 453 B12R1.107 CN(C)CC(N)C1=CC=CC=C1 P38865 [0,1,0,0,0,1|2,0,0]=4 454 B12R1.107 CN(C)CC(O)C1=CC=CC=C1 P36593 [0,1,0,0,0,1|2,0,0]=4 455 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 P36537 [0,1,0,0,0,1|2,0,0]=4 456 B12R1.107 CN(C)C[C@H](N)C1=CC=CC=C1 P40514 [0,1,0,0,0,1|2,0,0]=4 457 B12R1.125 CC(=O)NCC1=CC=CC=C1Br P36330 [0,1,0,0,0,1|1,0,1]=4 458 B12R1.125 CC(C)CNC1=C(Br)C=CC=C1 F-4601 [0,1,0,0,0,1|1,0,0]=3 459 B12R1.125 CC(C)CNC1=C(N)C=CC=C1 L20241 [0,1,0,0,0,1|1,0,0]=3 460 B12R1.125 CC(C)NCC1=CC=CC=C1Br P35208 [0,1,0,0,0,1|1,0,0]=3 461 B12R1.125 CC(C)NCC1=CC=CC=C1Cl P37993 [0,1,0,0,0,1|1,0,0]=3 462 B12R1.125 CC(C)NCC1=CC=CC=C1F P35077 [0,1,0,0,0,1|1,0,0]=3 463 B12R1.125 CC1=CC=CC=C1CNC(C)C P35164 [0,1,0,0,0,1|1,0,0]=3 464 B12R1.125 CN(C)CCC1=CC=CC=C1N O29840 [0,1,0,0,0,1|2,0,0]=4 465 B12R1.125 NC(=O)CCC1=CC=CC=C1Br P37474 [0,1,0,0,0,1|1,0,1]=4 466 B12R1.226 CC(=O)NCC1=CC=CC(Br)=C1 P38728 [0,1,0,0,0,1|1,0,1]=4 467 B12R1.226 CC(C)NCC1=CC=CC(Br)=C1 P42663 [0,1,0,0,0,1|1,0,0]=3 468 B12R1.226 CC(C)NCC1=CC=CC(Cl)=C1 P35254 [0,1,0,0,0,1|1,0,0]=3 469 B12R1.226 CC(C)NCC1=CC=CC(F)=C1 P35255 [0,1,0,0,0,1|1,0,0]=3 470 B12R1.226 CC1=CC(CNC(C)C)=CC=C1 P35131 [0,1,0,0,0,1|1,0,0]=3 471 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 P37053 [0,1,0,0,0,1|1,0,1]=4 472 B12R1.891 CC(C)(O)C#CC1=CC=CC=C1 P40576 [0,1,0,0,0,1|1,0,1]=4 473 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 O30894 [0,2,0,0,0,0|2,0,0]=4 474 B12R1.4 CN(C)CC1=CC=C(C=O)C=C1 M23206 [0,2,0,0,0,0|2,0,0]=4 475 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 P38663 [0,2,0,0,0,0|2,0,0]=4 476 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 L19340 [0,2,0,0,0,0|1,0,1]=4 477 B12R1.4 COC1=CC=C(NC(C)C)C=C1 P40746 [0,2,0,0,0,0|2,0,0]=4 478 B12R1.19 CC(C)OC1=CC=C(Br)C(Cl)=C1 N24114 [0,2,0,0,0,0|2,0,0]=4 479 B12R1.19 CC(C)OC1=CC=C(Br)C(F)=C1 Q67472 [0,2,0,0,0,0|2,0,0]=4 480 B12R1.19 CC(C)OC1=CC=C(F)C(F)=C1 N24491 [0,2,0,0,0,0|2,0,0]=4 481 B12R1.19 CC(C)OC1=CC=C(F)C(O)=C1 N25367 [0,2,0,0,0,0|2,0,0]=4 482 B12R1.19 CC(C)OC1=CC=C(I)C(Cl)=C1 N26976 [0,2,0,0,0,0|2,0,0]=4 483 B12R1.19 CC1=C(N)C=NC(CC(C)C)=C1 Q62310 [0,2,0,0,0,0|2,0,0]=4 484 B12R1.19 CC1=CC(OC(C)C)=CC=C1Br N25021 [0,2,0,0,0,0|2,0,0]=4 485 B12R1.19 CC1=CC=C(CN(C)C)C=C1Br N27159 [0,2,0,0,0,0|2,0,0]=4 486 B12R1.19 CC1=CC=C(OC(C)C)C=C1Br Q67569 [0,2,0,0,0,0|2,0,0]=4 487 B12R1.19 CC1=CC=C(OC(C)C)C=C1I N27183 [0,2,0,0,0,0|2,0,0]=4 488 B12R1.19 CC1=CC=C(OC(C)C)C=C1O N26105 [0,2,0,0,0,0|2,0,0]=4 489 B12R1.19 CN(C)CC1=CC=C(Br)C(Cl)=C1 N25435 [0,2,0,0,0,0|2,0,0]=4 490 B12R1.20 CC(C)C(N)C1=CC=C(Cl)C=C1 P36067 [0,2,0,0,0,0|1,0,0]=3 491 B12R1.20 CC(N)C(O)C1=CC=C(Cl)C=C1 P37279 [0,2,0,0,0,0|0,0,0]=2 492 B12R1.20 CC(N)C(O)C1=CC=C(Cl)C=C1 P39460 [0,2,0,0,0,0|0,0,0]=2 493 B12R1.20 CC1=CC=C(C(N)C(C)C)C=C1 P35720 [0,2,0,0,0,0|1,0,0]=3 494 B12R1.49 CC(CN)OC1=CC=C(Cl)C=C1 P40582 [0,2,0,0,0,0|1,0,0]=3 495 B12R1.49 CC1=CC=C(CC(N)CO)C=C1 P38590 [0,2,0,0,0,0|0,0,0]=2 496 B12R1.49 CC1=CC=C(C[C@H](N)CO)C=C1 P35566 [0,2,0,0,0,0|0,0,0]=2 497 B12R1.49 CCC(=O)CC1=CC=C(Br)C=C1 O31002 [0,2,0,0,0,0|1,0,1]=4 498 B12R1.49 CCC(=O)CC1=CC=C(F)C=C1 P37023 [0,2,0,0,0,0|1,0,1]=4 499 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 P39469 [0,2,0,0,0,0|1,0,1]=4 500 B12R1.49 NC(CO)CC1=CC=C(Br)C=C1 P35633 [0,2,0,0,0,0|0,0,0]=2 501 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 P38593 [0,2,0,0,0,0|0,0,0]=2 502 B12R1.49 NC(CO)CC1=CC=C(F)C=C1 P38588 [0,2,0,0,0,0|0,0,0]=2 503 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 P37292 [0,2,0,0,0,0|1,0,1]=4 504 B12R1.49 N[C@@H](CO)CC1=CC=C(Cl)C=C1 P39975 [0,2,0,0,0,0|0,0,0]=2 505 B12R1.49 N[C@@H](CO)CC1=CC=C(F)C=C1 P38643 [0,2,0,0,0,0|0,0,0]=2 506 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 M23085 [0,2,0,0,0,0|0,0,0]=2 507 B12R1.49 N[C@H](CO)CC1=CC=C(Br)C=C1 P36332 [0,2,0,0,0,0|0,0,0]=2 508 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 P39974 [0,2,0,0,0,0|0,0,0]=2 509 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 P40016 [0,2,0,0,0,0|0,0,0]=2 510 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 P37803 [0,2,0,0,0,0|0,0,0]=2 511 B12R1.49 O=C(CBr)CC1=CC=C(Cl)C=C1 O29303 [0,2,0,0,0,0|1,0,1]=4 512 B12R1.106 CC(C)(N)CC1=CC=C(F)C=C1 P42336 [0,2,0,0,0,0|0,0,0]=2 513 B12R1.106 CC1=CC=C(CS(N)(=O)=O)C=C1 L20915 [0,2,0,0,0,0|2,0,0]=4 514 B12R1.106 NS(=O)(=O)CC1=CC=C(Cl)C=C1 P36442 [0,2,0,0,0,0|2,0,0]=4 515 B12R1.233 CC(C)NC1=CC=C(F)C=C1F P42072 [0,2,0,0,0,0|2,0,0]=4 516 B12R1.233 CC(C)OC1=C(Cl)C=C(O)C=C1 N25529 [0,2,0,0,0,0|2,0,0]=4 517 B12R1.233 CC(C)OC1=CC=C(Br)C=C1Cl Q67488 [0,2,0,0,0,0|2,0,0]=4 518 B12R1.233 CC(C)OC1=CC=C(Br)C=C1F Q67167 [0,2,0,0,0,0|2,0,0]=4 519 B12R1.233 CC(C)OC1=CC=C(Cl)C=C1Br Q67807 [0,2,0,0,0,0|2,0,0]=4 520 B12R1.233 CC(C)OC1=CC=C(Cl)C=C1Cl N25845 [0,2,0,0,0,0|2,0,0]=4 521 B12R1.233 CC(C)OC1=CC=C(F)C=C1Br Q67190 [0,2,0,0,0,0|2,0,0]=4 522 B12R1.233 CC(C)OC1=CC=C(F)C=C1F Q67332 [0,2,0,0,0,0|2,0,0]=4 523 B12R1.233 CC(C)OC1=CC=C(N)C=C1F O30088 [0,2,0,0,0,0|2,0,0]=4 524 B12R1.233 CC1=C(OC(C)C)C=CC(O)=C1 N25319 [0,2,0,0,0,0|2,0,0]=4 525 B12R1.233 CC1=CC(Br)=CC=C1OC(C)C Q67741 [0,2,0,0,0,0|2,0,0]=4 526 B12R1.233 CC1=CC=C(OC(C)C)C(Br)=C1 N24145 [0,2,0,0,0,0|2,0,0]=4 527 B12R1.233 CN(C)CC1=C(F)C=C(Br)C=C1 N24546 [0,2,0,0,0,0|2,0,0]=4 528 B12R1.233 CN(C)CC1=CC=C(Br)C=C1Cl Q67810 [0,2,0,0,0,0|2,0,0]=4 529 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 O30231 [0,2,0,0,0,0|1,0,1]=4 530 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 P38441 [0,2,0,0,0,0|1,0,1]=4 531 B12R1.225 CC(C)C(=O)C1=CC=CC(Br)=C1 P39436 [0,2,0,0,0,0|1,0,1]=4 532 B12R1.225 CC(N)C(O)C1=CC(O)=CC=C1 L20369 [0,2,0,0,0,0|0,0,0]=2 533 B12R1.225 CC1=NC(C(N)C(C)C)=CC=C1 Q58462 [0,2,0,0,0,0|2,0,0]=4 534 B12R1.478 CN(C)C(CN)C1=CC=CC=C1 P36921 [0,2,0,0,0,0|2,0,0]=4 535 B12R1.478 NC(=O)C(CO)C1=CC=CC=C1 P51093 [0,2,0,0,0,0|1,0,1]=4 536 B12R1.564 FC(F)(F)C(Br)C1=CC=CC=C1 P38095 [0,2,0,0,0,0|2,0,0]=4 537 B12R1.564 NC(C1=CC=CC=C1)C(F)(F)F O34421 [0,2,0,0,0,0|2,0,0]=4 538 B12R1.564 NC(C1=CC=CC=C1)C(F)(F)F P37706 [0,2,0,0,0,0|2,0,0]=4 539 B12R1.564 N[C@H](C1=CC=CC=C1)C(F)(F)F P51440 [0,2,0,0,0,0|2,0,0]=4 540 B12R1.32 C#CCN(C)CC1=CC=CC=C1 O33738 [0,2,0,0,0,0|2,0,0]=4 541 B12R1.32 CN(CCN)CC1=CC=CC=C1 P41340 [0,2,0,0,0,0|1,0,0]=3 542 B12R1.32 CONC(C)CC1=CC=CC=C1 O31441 [0,2,0,0,0,0|0,0,0]=2 543 B12R1.32 N#CCC(=O)CC1=CC=CC=C1 P40169 [0,2,0,0,0,0|1,0,1]=4 544 B12R1.50 CC1=CC(CC(N)CO)=CC=C1 P38591 [0,2,0,0,0,0|0,0,0]=2 545 B12R1.50 CC1=CC(C[C@@H](N)CO)=CC=C1 P36120 [0,2,0,0,0,0|0,0,0]=2 546 B12R1.50 CCC(=O)CC1=CC=CC(C)=C1 P40770 [0,2,0,0,0,0|1,0,1]=4 547 B12R1.50 CCC(=O)CC1=CC=CC(F)=C1 P37115 [0,2,0,0,0,0|1,0,1]=4 548 B12R1.50 COC(=O)CC1=CC=CC(I)=C1 M22875 [0,2,0,0,0,0|1,0,1]=4 549 B12R1.50 COC(=O)CC1=CC=CC(O)=C1 P38153 [0,2,0,0,0,0|1,0,1]=4 550 B12R1.50 NC(CO)CC1=CC=CC(Br)=C1 P39329 [0,2,0,0,0,0|0,0,0]=2 551 B12R1.50 NC(CO)CC1=CC=CC(Cl)=C1 P38434 [0,2,0,0,0,0|0,0,0]=2 552 B12R1.50 NC(CO)CC1=CC=CC(F)=C1 P38589 [0,2,0,0,0,0|0,0,0]=2 553 B12R1.50 NNC(=O)CC1=CC=CC(Cl)=C1 P36762 [0,2,0,0,0,0|1,0,1]=4 554 B12R1.50 N[C@@H](CO)CC1=CC=CC(F)=C1 P36121 [0,2,0,0,0,0|0,0,0]=2 555 B12R1.50 N[C@H](CO)CC1=CC=CC(Br)=C1 P37966 [0,2,0,0,0,0|0,0,0]=2 556 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 P34978 [0,2,0,0,0,0|0,0,0]=2 557 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 P34977 [0,2,0,0,0,0|0,0,0]=2 558 B12R1.50 O=C(CBr)CC1=CC=CC(Br)=C1 O32163 [0,2,0,0,0,0|1,0,1]=4 559 B12R1.50 O=C(CBr)CC1=CC=CC(Cl)=C1 O29302 [0,2,0,0,0,0|1,0,1]=4 560 B12R1.118 NCC(CO)CC1=CC=CN=C1 Q58251 [0,2,0,0,0,0|1,0,0]=3 561 B12R1.118 NCC(CO)CC1=CC=NC=C1 Q58252 [0,2,0,0,0,0|1,0,0]=3 562 B12R1.194 C#CC(C)(C)CC1=CC=CC=C1 L21351 [0,2,0,0,0,0|1,0,0]=3 563 B12R1.194 C[C@@](N)(CO)CC1=CC=CC=C1 10161 [0,2,0,0,0,0|0,0,0]=2 564 B12R1.371 CC(CN)OC1=CC=CC=C1Cl P35408 [0,2,0,0,0,0|1,0,0]=3 565 B12R1.371 CC1=CC=CC=C1CC(N)CO P38592 [0,2,0,0,0,0|0,0,0]=2 566 B12R1.371 CC1=CC=CC=C1C[C@H](N)CO P34976 [0,2,0,0,0,0|0,0,0]=2 567 B12R1.371 CCC(=O)CC1=CC=CC=C1C P39216 [0,2,0,0,0,0|1,0,1]=4 568 B12R1.371 CCC(=O)CC1=CC=CC=C1F P41070 [0,2,0,0,0,0|1,0,1]=4 569 B12R1.371 COC(=O)CC1=CC=CC=C1C P38193 [0,2,0,0,0,0|1,0,1]=4 570 B12R1.371 COC(=O)CC1=CC=CC=C1I M23155 [0,2,0,0,0,0|1,0,1]=4 571 B12R1.371 COC(=O)CC1=CC=CC=C1O P39566 [0,2,0,0,0,0|1,0,1]=4 572 B12R1.371 NC(CO)CC1=CC=CC=C1Br P41931 [0,2,0,0,0,0|0,0,0]=2 573 B12R1.371 NC(CO)CC1=CC=CC=C1Cl P38433 [0,2,0,0,0,0|0,0,0]=2 574 B12R1.371 NC(CO)CC1=CC=CC=C1F P40521 [0,2,0,0,0,0|0,0,0]=2 575 B12R1.371 N[C@@H](CO)CC1=CC=CC=C1Cl P42911 [0,2,0,0,0,0|0,0,0]=2 576 B12R1.371 N[C@H](CO)CC1=CC=CC=C1Cl P42910 [0,2,0,0,0,0|0,0,0]=2 577 B12R1.371 N[C@H](CO)CC1=CC=CC=C1F P41132 [0,2,0,0,0,0|0,0,0]=2 578 B12R1.371 O=C(CBr)CC1=CC=CC=C1Cl O29301 [0,2,0,0,0,0|1,0,1]=4 579 B12R1.127 CC(C)OC1=CC(Br)=CC=C1Br Q67742 [0,2,0,0,0,0|2,0,0]=4 580 B12R1.127 CC(C)OC1=CC(Br)=CC=C1Cl Q67788 [0,2,0,0,0,0|2,0,0]=4 581 B12R1.127 CC(C)OC1=CC(Br)=CC=C1F Q67481 [0,2,0,0,0,0|2,0,0]=4 582 B12R1.127 CC(C)OC1=CC(F)=CC=C1Br Q67483 [0,2,0,0,0,0|2,0,0]=4 583 B12R1.127 CC1=CC=C(Br)C(CN(C)C)=C1 N27101 [0,2,0,0,0,0|2,0,0]=4 584 B12R1.127 CC1=CC=C(Br)C(OC(C)C)=C1 N27234 [0,2,0,0,0,0|2,0,0]=4 585 B12R1.127 CC1=CC=C(Br)C=C1OC(C)C Q66416 [0,2,0,0,0,0|2,0,0]=4 586 B12R1.127 CC1=CC=C(O)C(OC(C)C)=C1 Q68478 [0,2,0,0,0,0|2,0,0]=4 587 B12R1.127 CN(C)CC1=C(F)C=CC(Br)=C1 N24552 [0,2,0,0,0,0|2,0,0]=4 588 B12R1.151 CC(C)(N)CC1=CC=CC=C1F P40320 [0,2,0,0,0,0|0,0,0]=2 589 B12R1.224 CC(C)OC1=C(F)C(F)=CC=C1 Q67485 [0,2,0,0,0,0|2,0,0]=4 590 B12R1.224 CC(C)OC1=CC=CC(Br)=C1F N26217 [0,2,0,0,0,0|2,0,0]=4 591 B12R1.224 CN(C)CC1=CC=CC(Br)=C1F N26641 [0,2,0,0,0,0|2,0,0]=4 592 B12R1.1009 CC(C)OC1=C(Br)C=CC=C1F N24154 [0,2,0,0,0,0|2,0,0]=4 593 B12R1.1009 CC(C)OC1=C(Cl)C=CC=C1Cl N26834 [0,2,0,0,0,0|2,0,0]=4 594 B12R1.1009 CC(C)OC1=C(F)C=CC=C1F N26819 [0,2,0,0,0,0|2,0,0]=4 595 B12R1.1009 CC(C)OC1=C(O)C=CC=C1F N27294 [0,2,0,0,0,0|2,0,0]=4 596 B12R1.101 CC(C)OC1=CC(Br)=CC(Br)=C1 Q67475 [0,2,0,0,0,0|2,0,0]=4 597 B12R1.101 CC(C)OC1=CC(F)=CC(Br)=C1 N24800 [0,2,0,0,0,0|2,0,0]=4 598 B12R1.101 CC(C)OC1=CC(F)=CC(F)=C1 N24543 [0,2,0,0,0,0|2,0,0]=4 599 B12R1.101 CC1=CC(C)=CC(OC(C)C)=C1 P38913 [0,2,0,0,0,0|2,0,0]=4 600 B12R1.101 CC1=CC(F)=CC(OC(C)C)=C1 N26546 [0,2,0,0,0,0|2,0,0]=4 601 B12R1.438 CC(C)OC1=CC(C=O)=CC=C1 P36227 [0,2,0,0,0,0|2,0,0]=4 602 B12R1.438 CC(C)OC1=CC(CBr)=CC=C1 P40307 [0,2,0,0,0,0|2,0,0]=4 603 B12R1.438 CN(C)CC1=CC(CN)=CC=C1 P39401 [0,2,0,0,0,0|2,0,0]=4 604 B12R1.438 COC1=CC(CC(C)=O)=CC=C1 P38947 [0,2,0,0,0,0|1,0,1]=4 605 B10R2.6 C1=CC(C2CC2)=CC=N1 N25361 [1,0,0,1,0,0|1,0,0]=3 606 B10R2.6 C1=CC=C(C2CN2)C=C1 P41085 [1,0,0,1,0,0|0,0,0]=2 607 B10R2.6 C1=CN=C(C2CC2)C=C1 K12338 [1,0,0,1,0,0|1,0,0]=3 608 B10R2.7 C1=CC2=C(C=N1)CNC2 M15466 [1,0,0,1,0,0|2,0,0]=4 609 B10R2.7 C1=CC2=C(C=N1)CNC2 M15469 [1,0,0,1,0,0|2,0,0]=4 610 B10R2.7 C1=CC=C2CNCC2=C1 P44607 [1,0,0,1,0,0|1,0,0]=3 611 B10R2.7 C1=CN=C2CCNC2=C1 O29585 [1,0,0,1,0,0|1,0,0]=3 612 B10R2.7 C1=CN=C2CNCC2=C1 B-1200 [1,0,0,1,0,0|2,0,0]=4 613 B10R2.7 C1=CN=C2NCCC2=C1 C-3425 [1,0,0,1,0,0|1,0,0]=3 614 B10R2.7 C1=NC=C2CNCC2=C1 G-5769 [1,0,0,1,0,0|2,0,0]=4 615 B10R2.320 NC1CC2=C1C=CC=C2 L19725 [1,0,0,1,0,0|0,0,0]=2 616 B12R2.22 NC1CC(C2=CC=CC=C2)C1 L13852 [0,0,0,1,0,1|0,0,0]=2 617 B12R2.22 NC1CN(C2=CC=CC=C2)C1 L21688 [0,0,0,1,0,1|0,0,0]=2 618 B12R2.22 NC1CN(C2=CC=NC=N2)C1 P46250 [0,0,0,1,0,1|2,0,0]=4 619 B12R2.22 NC1CN(C2=CN=CN=C2)C1 O33339 [0,0,0,1,0,1|2,0,0]=4 620 B12R2.22 NC1CN(C2=NC=CC=N2)C1 O33530 [0,0,0,1,0,1|2,0,0]=4 621 B12R2.22 N[C@H]1C[C@@H](C2=CC=CC=C2)C1 I-9024 [0,0,0,1,0,1|0,0,0]=2 622 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 I-9025 [0,0,0,1,0,1|0,0,0]=2 623 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 O30293 [0,0,0,1,0,1|1,0,1]=4 624 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 D-2509 [0,0,0,1,0,1|1,0,1]=4 625 B12R2.22 OC1CN(C2=CC=CC=C2)C1 L18106 [0,0,0,1,0,1|1,0,0]=3 626 B12R2.24 NC1CNC2=C(C=CC=C2)C1 O32222 [0,0,0,1,0,1|0,0,0]=2 627 B12R2.24 NC1COC2=C(C=CC=C2)C1 O34395 [0,0,0,1,0,1|0,0,0]=2 628 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 O34281 [0,0,0,1,0,1|0,0,0]=2 629 B12R2.24 N[C@H]1COC2=C(C=CC=C2)C1 O34576 [0,0,0,1,0,1|0,0,0]=2 630 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 P39429 [0,0,0,1,0,1|1,0,1]=4 631 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 O34499 [0,0,0,1,0,1|1,0,1]=4 632 B12R2.24 O=C1CSC2=C(C=CC=C2)C1 P51461 [0,0,0,1,0,1|1,0,1]=4 633 B12R2.24 OC1CNC2=C(C=CC=C2)C1 O33538 [0,0,0,1,0,1|1,0,0]=3 634 B12R2.24 O[C@@H]1CCC2=C(C=CC=C2)C1 Q69508 [0,0,0,1,0,1|1,0,0]=3 635 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 O33190 [0,0,0,1,0,1|1,0,0]=3 636 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 O32386 [0,0,0,1,0,1|1,0,0]=3 637 B12R2.24 O[C@H]1CNC2=C(C=CC=C2)C1 O33189 [0,0,0,1,0,1|1,0,0]=3 638 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 P41656 [0,0,0,1,0,1|1,0,0]=3 639 B12R2.2403 CC1(C)CNC2=C1C=CC=C2 I-9043 [0,0,0,1,0,1|1,0,0]=3 640 B12R2.2403 CC1(C)CNC2=NC=CC=C21 P47822 [0,0,0,1,0,1|2,0,0]=4 641 B12R2.2403 CC1(C)NCC2=C1C=CC=C2 G-7597 [0,0,0,1,0,1|1,0,0]=3 642 B12R2.79 CC1=CC=C(C2CC2N)C=C1 Q69960 [0,1,0,1,0,0|0,0,0]=2 643 B12R2.79 FC1=CC=C(C2CC2Br)C=C1 O29607 [0,1,0,1,0,0|1,0,0]=3 644 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 O34315 [0,1,0,1,0,0|0,0,0]=2 645 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 Q69959 [0,1,0,1,0,0|0,0,0]=2 646 B12R2.79 NC1CC1C2=CC=C(Cl)C=C2 Q69961 [0,1,0,1,0,0|0,0,0]=2 647 B12R2.79 NC1CC1C2=CC=C(F)C=C2 O34585 [0,1,0,1,0,0|0,0,0]=2 648 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(F)C=C2 O34571 [0,1,0,1,0,0|0,0,0]=2 649 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 O34573 [0,1,0,1,0,0|0,0,0]=2 650 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(O)C=C2 L14742 [0,1,0,1,0,0|0,0,0]=2 651 B12R2.79 N[C@H]1C[C@@H]1C2=CN=C(Br)C=C2 L14757 [0,1,0,1,0,0|1,0,0]=3 652 B12R2.294 BrC1=CC=C(OC2CC2)C=C1 P38401 [0,1,0,1,0,0|2,0,0]=4 653 B12R2.294 FC1=CC=C(NC2CC2)C=C1 P41523 [0,1,0,1,0,0|2,0,0]=4 654 B12R2.606 CC1=CC2=C(C=C(Cl)C=C2)N1 A-742 [0,1,0,1,0,0|0,0,2]=4 655 B12R2.606 CC1=CC2=C(C=C(F)C=C2)N1 Q69286 [0,1,0,1,0,0|0,0,2]=4 656 B12R2.606 CC1=CC2=C(C=C(I)C=C2)N1 L14421 [0,1,0,1,0,0|0,0,2]=4 657 B12R2.606 CC1=CC2=C(C=C(N)C=C2)N1 I-9602 [0,1,0,1,0,0|0,0,2]=4 658 B12R2.606 CC1=CC2=C(C=CC(I)=C2)N1 Q55414 [0,1,0,1,0,0|0,0,2]=4 659 B12R2.606 CC1=NC2=CC(Br)=CC=C2N1 A-848 [0,1,0,1,0,0|1,0,1]=4 660 B12R2.606 NC1=CC=C2CC(=O)NC2=C1 P44528 [0,1,0,1,0,0|1,0,1]=4 661 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 C-2304 [0,1,0,1,0,0|1,0,1]=4 662 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 G-5187 [0,1,0,1,0,0|1,0,1]=4 663 B12R2.606 O=C1CC2=C(C=C(O)C=C2)N1 O30335 [0,1,0,1,0,0|1,0,1]=4 664 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 C-3428 [0,1,0,1,0,0|1,0,1]=4 665 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 E-3094 [0,1,0,1,0,0|1,0,1]=4 666 B12R2.18 CC1=NC2=CC=CC=C2N1C Q68028 [0,1,0,1,0,0|1,0,1]=4 667 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O I-9168 [0,1,0,1,0,0|1,0,0]=3 668 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O G-6897 [0,1,0,1,0,0|1,0,0]=3 669 B12R2.23 O=C1CCC1C2=CC=CC=C2 F-4430 [0,1,0,1,0,0|1,0,1]=4 670 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 P39493 [0,1,0,1,0,0|1,0,0]=3 671 B12R2.2075 N[C@@H](C1=CC=CC=C1)C2CC2 P51521 [0,1,0,1,0,0|1,0,0]=3 672 B12R2.27 N#CC1CC1C2=CC=CC=C2 P43268 [0,1,0,1,0,0|0,0,1]=3 673 B12R2.27 N#C[C@@H]1C[C@H]1C2=CC=CC=C2 M15885 [0,1,0,1,0,0|0,0,1]=3 674 B12R2.27 NCC1CC1C2=CC=CC=C2 L19913 [0,1,0,1,0,0|0,0,0]=2 675 B12R2.27 O=CC1CC1C2=CC=CC=C2 L20873 [0,1,0,1,0,0|1,0,0]=3 676 B12R2.27 OCC1CC1C2=CC=CC=C2 P51570 [0,1,0,1,0,0|1,0,0]=3 677 B12R2.32 CNC1=NC2=CC=CC=C2N1 P51365 [0,1,0,1,0,0|1,0,1]=4 678 B12R2.32 NCC1=NC2=CC=CC=C2N1 O34510 [0,1,0,1,0,0|1,0,1]=4 679 B12R2.32 OCC1CC2=C(C=CC=C2)N1 M23283 [0,1,0,1,0,0|0,0,0]=2 680 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 I-9423 [0,1,0,1,0,0|0,0,0]=2 681 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 M22647 [0,1,0,1,0,0|0,0,0]=2 682 B12R2.2058 C1=CC=C(CN2CCC2)C=C1 P45197 [0,1,0,1,0,0|2,0,0]=4 683 B12R2.2058 C1=CC=C(NC2CNC2)C=C1 P36319 [0,1,0,1,0,0|1,0,0]=3 684 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 G-7276 [0,1,0,1,0,0|1,0,0]=3 685 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 M22662 [0,1,0,1,0,0|1,0,0]=3 686 B12R2.2058 C1=CN=C(OC2CNC2)C=C1 P35306 [0,1,0,1,0,0|2,0,0]=4 687 B12R2.2058 C1=CN=CC(OC2CNC2)=C1 P39560 [0,1,0,1,0,0|2,0,0]=4 688 B12R2.115 NC1CC1C2=CC=CC=C2F Q70161 [0,1,0,1,0,0|0,0,0]=2 689 B12R2.202 CC1=CC2=C(C1)C(Br)=CC=C2 G-6916 [0,1,0,1,0,0|1,0,1]=4 690 B12R2.202 CC1=CC2=C(C=CC=C2Br)N1 L22373 [0,1,0,1,0,0|0,0,2]=4 691 B12R2.202 CC1=CC2=C(C=CC=C2Cl)N1 Q55413 [0,1,0,1,0,0|0,0,2]=4 692 B12R2.202 CC1=CC=CC2=C1CC(=O)N2 M15511 [0,1,0,1,0,0|1,0,1]=4 693 B12R2.202 CC1CC2=C(N)C=CC=C2O1 Q69331 [0,1,0,1,0,0|1,0,0]=3 694 B12R2.202 NC1=CC=CC2=C1CC(=O)N2 O30052 [0,1,0,1,0,0|1,0,1]=4 695 B12R2.202 O=C1CC2=C(C1)C(Br)=CC=C2 G-5797 [0,1,0,1,0,0|1,0,1]=4 696 B12R2.202 O=C1CC2=C(C=CC=C2Br)N1 S86334 [0,1,0,1,0,0|1,0,1]=4 697 B12R2.202 O=C1CC2=C(C=CC=C2I)N1 M15095 [0,1,0,1,0,0|1,0,1]=4 698 B12R2.202 O=C1CC2=C(C=CC=C2O)N1 M15233 [0,1,0,1,0,0|1,0,1]=4 699 B12R2.202 O=C1CC2=C(Cl)C=CC=C2N1 O32907 [0,1,0,1,0,0|1,0,1]=4 700 B12R2.225 BrC1=CC=CC=C1OC2CC2 P38400 [0,1,0,1,0,0|2,0,0]=4 701 B12R2.225 NC1=CC=CC=C1NC2CC2 P42424 [0,1,0,1,0,0|2,0,0]=4 702 B12R2.80 NC1CC1C2=CC=CC(Cl)=C2 O34598 [0,1,0,1,0,0|0,0,0]=2 703 B12R2.80 NC1CC1C2=CC=CC(F)=C2 O34562 [0,1,0,1,0,0|0,0,0]=2 704 B12R2.1286 BrC1=CC=CC(OC2CC2)=C1 P42912 [0,1,0,1,0,0|2,0,0]=4 705 B8R1.8 CNCC1=CC=CO1 K10906 [1,0,0,0,1,0|2,0,0]=4 706 B8R1.8 CNCC1=COC=C1 P39518 [1,0,0,0,1,0|2,0,0]=4 707 B8R1.8 CNCC1=CSC=C1 P39815 [1,0,0,0,1,0|2,0,0]=4 708 B8R1.8 COCC1=CC=CS1 N26844 [1,0,0,0,1,0|2,0,0]=4 709 B8R1.8 NCCC1=CC=CO1 O34064 [1,0,0,0,1,0|1,0,0]=3 710 B8R1.8 NCCC1=CSC=C1 G-7583 [1,0,0,0,1,0|1,0,0]=3 711 B8R1.8 NCCN1C=CC=C1 P38998 [1,0,0,0,1,0|1,0,0]=3 712 B8R1.8 NCCN1C=CC=N1 P43070 [1,0,0,0,1,0|2,0,0]=4 713 B8R1.8 NCCN1C=CN=C1 O32262 [1,0,0,0,1,0|2,0,0]=4 714 B8R1.8 NCCN1C=CN=C1 P37320 [1,0,0,0,1,0|2,0,0]=4 715 B8R1.8 OCCC1=CC=CS1 I-9194 [1,0,0,0,1,0|2,0,0]=4 716 B8R1.7 CC(C)C1=CC=CO1 A-982 [0,0,0,0,2,0|2,0,0]=4 717 B8R1.7 CC(N)C1=CC=NN1 O29815 [0,0,0,0,2,0|2,0,0]=4 718 B8R1.7 CC(N)C1=NC=CS1 P51364 [0,0,0,0,2,0|2,0,0]=4 719 B8R1.7 CC(O)C1=CSC=C1 O31068 [0,0,0,0,2,0|2,0,0]=4 720 B8R1.7 C[C@@H](N)C1=NC=CS1 P51442 [0,0,0,0,2,0|2,0,0]=4 721 B8R1.7 C[C@H](N)C1=CN=CO1 L19494 [0,0,0,0,2,0|2,0,0]=4 722 B8R1.7 C[C@H](N)C1=NC=CS1 P51443 [0,0,0,0,2,0|2,0,0]=4 723 B12R1.252 CC(O)CNCC1=CC=CC=C1 Q66161 [0,0,0,0,0,2|1,0,0]=3 724 B12R1.252 C[C@@H](O)CNCC1=CC=CC=C1 Q66162 [0,0,0,0,0,2|1,0,0]=3 725 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 Q66163 [0,0,0,0,0,2|1,0,0]=3