0 B12R1.128 C1=C(C(=NN=C1Cl)Cl)C(C)(C)C AK-29020 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.128 FC(F)(F)C1=CC(O)=CC=C1Br AK-34669 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.128 NC1=C(C=C(O)C=C1)C(F)(F)F AK-35187 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.128 OC1=CC=C(Br)C=C1C(F)(F)F AK-35381 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.128 OC1=CC=C(Cl)C(C(F)(F)F)=C1 AK-53838 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.128 OC1=CC=C(Cl)C=C1C(C)(C)C AK101481 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.128 OC1=CC=C(F)C(C(F)(F)F)=C1 AK-30250 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.87 C1=CC=CC(=C1C(F)(F)F)O AK-50536 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.87 CC(C)(O)C1=C(Br)C=CC=C1 AK-38217 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.87 CC(C1=CC=CC=C1Br)(C)C AK148384 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.87 CC(C1=NC=NC=C1Br)(C)C AK132495 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.87 CC(N)(C1=CC=CC=C1Br)C AK122030 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.87 CC(O)(C1=CC=CC=C1N)C AK125202 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.87 CC(O)(C1=NC=CC=C1Br)C AK167904 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.87 CP(C)(=O)C1=C(N)C=CC=C1 AK103382 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.87 NC1=CC=CC=C1C(C)(C)C AK-77148 [1,0,0,0,0,0|1,0,0]=2 16 B11R1.155 CC(C)(C)C1=NC(Cl)=CC=N1 AK-37365 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.155 CC(N)(C1=CC=CC(F)=C1)C AK164905 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.155 CC(O)(C1=CC(Br)=NC=C1)C AK167907 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.155 CC(O)(C1=CC=CC(Br)=C1)C AK-41777 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.155 CC(O)(C1=NC=CC(Br)=C1)C AK123539 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.155 ClC1=NC=CC(C(C)(C)C)=C1 AK155433 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.155 ClC1=NC=CC(C(C)(C)C)=N1 AK198818 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.155 NC1=CC=CC(C(C)(C)C)=C1 AK-39836 [1,0,0,0,0,0|1,0,0]=2 24 B11R1.155 OC1=CC=CC(C(C)(O)C)=C1 AK116134 [1,0,0,0,0,0|1,0,0]=2 25 B11R1.155 OC1=CC=CC(C(F)(F)F)=C1 AK-44156 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.167 C1=C(Br)C=CC(=C1C(=O)C)O AK-47862 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 AK-30761 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 AK-30762 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.167 CC(C1=CC(F)=CC=C1O)=O AK-45396 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.167 CC(C1=CC(I)=CC=C1F)C AK685324 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.167 CC(C1=CC(N)=CC=C1O)=O AK116395 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.167 CC(C1=CC(O)=CC=C1O)=O AK-51301 [1,0,0,0,0,0|1,0,1]=3 33 B11R1.167 CC(N)C1=CC(Cl)=CC=C1F AK338981 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.167 CC(O)C1=C(C)C=CC(Cl)=C1 AK425566 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.167 CC(O)C1=CC(Br)=CC=C1F AK-28060 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.167 OC(=O)C1=C(O)C=CC(O)=C1 AK-49825 [1,0,0,0,0,0|2,0,1]=4 37 B11R1.167 OC1=CC=C(C)C=C1C(C)C AK126296 [1,0,0,0,0,0|1,0,0]=2 38 B11R1.167 OC1=CC=C(I)C(N(C)C)=C1 AK549977 [1,0,0,0,0,0|2,0,0]=3 39 B13R1.98 CCC1=CC(=C(O)C=C1)C(C)(C)C AK-88056 [0,1,0,0,0,0|1,0,0]=2 40 B13R1.98 N#CC1=CC=C(O)C(C(C)(C)C)=C1 AK-94318 [0,1,0,0,0,0|1,0,0]=2 41 B13R1.3090 N#CC1=CC=C(Br)C=C1C(C)(C)C AK167240 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.496 O=C1C=CC(N1C(C)(C)C)=O AK129978 [0,0,0,0,1,0|1,0,2]=4 43 B10R1.28 CC(C)(C)C1=CC=NC=C1 AK-88357 [2,0,0,0,0,0|1,0,0]=3 44 B10R1.28 CC(C)(O)C1=NC=CC=C1 AK111321 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.28 CC(N)(C1=CC=CC=C1)C AK116559 [2,0,0,0,0,0|1,0,0]=3 46 B10R1.28 CC(N)(C1=CC=CN=C1)C AK-86166 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.28 CC(N)(C1=NC=CC=C1)C AK-64527 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 AK-59630 [2,0,0,0,0,0|1,0,0]=3 49 B10R1.28 C[Si](C)(C)C1=CC=CC=N1 AK-47822 [2,0,0,0,0,0|1,1,0]=4 50 B10R1.61 C1=CC(=C(C=C1)N(C)C)N AK-65098 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.61 C1=CC=CC(=C1O)C(=O)C AK-44482 [2,0,0,0,0,0|1,0,1]=4 52 B10R1.61 CC(C1=CC=CC=C1Br)C AK-80369 [2,0,0,0,0,0|1,0,0]=3 53 B10R1.61 CC(C1=CC=CC=C1I)C AK113600 [2,0,0,0,0,0|1,0,0]=3 54 B10R1.61 CC(N)C1=CC=CC=C1Br AK548207 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.61 CC(N)C1=CC=CC=C1Cl AK-78769 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.61 CC(N)C1=CC=CC=C1Cl AK133214 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.61 CC(N)C1=CC=CC=C1F AK-78757 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.61 CN(C)C1=C(O)C=CC=C1 AK-49738 [2,0,0,0,0,0|1,0,0]=3 59 B10R1.61 CN(C)C1=CC=CC=C1Br AK-86039 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.61 C[C@@H](N)C1=CC=CC=C1Br AK114068 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.61 C[C@@H](N)C1=CC=CC=C1Br AK155333 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.61 C[C@@H](N)C1=CC=CC=C1C AK-45079 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.61 C[C@@H](N)C1=CC=CC=C1Cl AK-42131 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.61 C[C@@H](N)C1=CC=CC=C1F AK-33841 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.61 C[C@@H](O)C1=CC=CC=C1Cl AK-49059 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.61 C[C@H](N)C1=CC=CC=C1Br AK-59163 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.61 C[C@H](N)C1=CC=CC=C1Br AK174547 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.61 C[C@H](N)C1=CC=CC=C1C AK162902 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.61 C[C@H](N)C1=CC=CC=C1F AK-36100 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.61 C[C@H](N)C1=CC=CC=C1F AK162903 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.61 C[C@H](O)C1=CC=CC=C1Cl AK-57726 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.61 C[C@H](O)C1=CC=CC=C1F AK114295 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.61 NC(C1=CC=CC=C1Br)C AK-50562 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.61 NC1=C(C(C)C)C=NC=C1 AK349169 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.61 N[C@@H](C1=CC=CC=C1F)C AK-42098 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.113 C1=C(C(C)=O)C=C(C=C1)O AK-46681 [2,0,0,0,0,0|1,0,1]=4 77 B10R1.113 CC(C1=CC(Br)=CC=C1)C AK-61854 [2,0,0,0,0,0|1,0,0]=3 78 B10R1.113 CC(N)C1=CC=CC(C)=C1 AK-95787 [2,0,0,0,0,0|2,0,0]=4 79 B10R1.113 CN(C)C1=CC=CC(Br)=C1 AK-63444 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.113 C[C@@H](C1=CC=CC(N)=C1)N AK326677 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 AK-33750 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 AK338979 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.113 C[C@@H](N)C1=CC=CC(C)=C1 AK-45077 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.113 C[C@@H](N)C1=CC=CC(C)=C1 AK133442 [2,0,0,0,0,0|2,0,0]=4 85 B10R1.113 C[C@@H](N)C1=CC=CC(F)=C1 AK-29516 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.113 C[C@@H](O)C1=CC=CC(Cl)=C1 AK103057 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 AK-33217 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 AK338984 [2,0,0,0,0,0|2,0,0]=4 89 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 AK-35182 [2,0,0,0,0,0|2,0,0]=4 90 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 AK-58281 [2,0,0,0,0,0|2,0,0]=4 91 B10R1.113 NC1=CC(N(C)C)=CC=C1 AK162007 [2,0,0,0,0,0|2,0,0]=4 92 B10R1.113 NC1=NC(C(C)C)=CC=C1 AK-29534 [2,0,0,0,0,0|2,0,0]=4 93 B10R1.113 N[C@@H](C1=CC=CC(F)=C1)C AK-45028 [2,0,0,0,0,0|2,0,0]=4 94 B10R1.113 N[C@H](C1=CC=CC(F)=C1)C AK-42995 [2,0,0,0,0,0|2,0,0]=4 95 B10R1.113 OC1=CC=CC(N(C)C)=C1 AK-51741 [2,0,0,0,0,0|1,0,0]=3 96 B10R1.113 OC1=CC=CC([C@H](N)C)=C1 AK-77840 [2,0,0,0,0,0|1,0,0]=3 97 B10R1.30 C1=C(Br)C=CC(=C1CO)O AK-34249 [2,0,0,0,0,0|2,0,0]=4 98 B10R1.30 CC1=CC=C(O)C(CC)=N1 AK-28571 [2,0,0,0,0,0|2,0,0]=4 99 B10R1.30 CCC1=NC(C)=CC=C1O AK-57887 [2,0,0,0,0,0|2,0,0]=4 100 B10R1.30 FC1=CC=C(Br)C=C1CC AK136297 [2,0,0,0,0,0|2,0,0]=4 101 B10R1.30 N#CC1=CC(O)=CC=C1O AK383593 [2,0,0,0,0,0|1,0,1]=4 102 B10R1.30 NC1=CC=C(Cl)C=C1CC AK-41750 [2,0,0,0,0,0|2,0,0]=4 103 B10R1.30 OC1=CC=C(Br)C(CC)=C1 AK207125 [2,0,0,0,0,0|1,0,0]=3 104 B10R1.30 OC1=CC=C(Br)C(OC)=C1 AK-49206 [2,0,0,0,0,0|2,0,0]=4 105 B10R1.30 OC1=CC=C(Br)C=C1OC AK-79389 [2,0,0,0,0,0|2,0,0]=4 106 B10R1.30 OC1=CC=C(C)C=C1OC AK-75601 [2,0,0,0,0,0|2,0,0]=4 107 B10R1.30 OC1=CC=C(C)N=C1CC AK-41005 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.30 OC1=CC=C(F)C(OC)=C1 AK-94399 [2,0,0,0,0,0|2,0,0]=4 109 B10R1.30 OC1=CC=C(N)C=C1OC AK-79118 [2,0,0,0,0,0|2,0,0]=4 110 B12R1.126 CC(N)(C1=CC=C(Cl)C=C1Cl)C AK164911 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.126 NC1=CC=C(C(C)(C)C)C(Br)=C1 AK130597 [1,1,0,0,0,0|1,0,0]=3 112 B12R1.195 CC(C)(C1=CC=CC=C1Br)C#N AK197950 [1,1,0,0,0,0|1,0,1]=4 113 B12R1.10 CC(C)(C1=CC=CC(Br)=C1)CO AK158872 [1,1,0,0,0,0|1,0,0]=3 114 B12R1.10 CC(C)(C1=CC=CC(N)=C1)C#N AK-51110 [1,1,0,0,0,0|1,0,1]=4 115 B12R1.10 C[N+](C)(CC)C1=CC=CC(O)=C1 AK-95497 [1,1,0,0,0,0|1,0,0]=3 116 B12R1.23 C1=C(C(=CC(=C1)C(C)(C)C)Br)O AK-49083 [1,1,0,0,0,0|1,0,0]=3 117 B12R1.23 CC(C)(C)C1=CC(Br)=C(Br)C=C1 AK-40366 [1,1,0,0,0,0|1,0,0]=3 118 B12R1.23 CC(C)(C)C1=CC(Cl)=C(N)C=C1 AK110887 [1,1,0,0,0,0|1,0,0]=3 119 B12R1.23 CC(C)(C)C1=CC(N)=C(O)C=C1 AK-44340 [1,1,0,0,0,0|1,0,0]=3 120 B12R1.23 ClC1=CC(C(C)(C)C)=CC=C1Br AK-88567 [1,1,0,0,0,0|1,0,0]=3 121 B12R1.23 NC1=CC=C(C(C)(C)C)C=C1N AK-51314 [1,1,0,0,0,0|1,0,0]=3 122 B12R1.23 OC1=CC=C(C(C)(C)C)C=C1C AK135448 [1,1,0,0,0,0|1,0,0]=3 123 B12R1.102 CC(N)(C1=CC(Cl)=CC(Cl)=C1)C AK552584 [1,1,0,0,0,0|2,0,0]=4 124 B12R1.102 CC(N)(C1=CC(F)=CC(F)=C1)C AK164907 [1,1,0,0,0,0|2,0,0]=4 125 B12R1.102 CC(N)(C1=CC(F)=CC(F)=C1)C AK552650 [1,1,0,0,0,0|2,0,0]=4 126 B12R1.102 FC1=CC(C(C)(C)C)=CC(Br)=C1 AK153156 [1,1,0,0,0,0|1,0,0]=3 127 B12R1.436 COC1=CC(C(C)(C)C)=CC=C1 AK154924 [1,1,0,0,0,0|0,0,0]=2 128 B12R1.436 N#CC1=CC=CC(C(C)(C)C)=C1 AK130643 [1,1,0,0,0,0|1,0,0]=3 129 B12R1.436 O=CC1=CC=NC(C(C)(C)C)=C1 AK155432 [1,1,0,0,0,0|1,0,1]=4 130 B12R1.46 CC1=CC=C(OC)C(C(C)C)=C1 AK127708 [1,1,0,0,0,0|1,0,0]=3 131 B12R1.46 NC1=CC=C(OC)C(C(C)C)=C1 AK140561 [1,1,0,0,0,0|1,0,0]=3 132 B12R1.232 CC(C1=CC(O)=C(O)C=C1O)=O AK153502 [1,1,0,0,0,0|1,0,1]=4 133 B12R1.232 O=C1C(C(C)C)=CC(C(C)=C1)=O AK101679 [1,1,0,0,0,0|0,0,2]=4 134 B12R1.354 C1=C(O)C=CC(=C1C(OC)=O)O AK-46580 [1,1,0,0,0,0|1,0,1]=4 135 B12R2.88 NC1(C2=CC=CC=C2F)CC1 AK-90843 [1,0,0,1,0,0|2,0,0]=4 136 B12R2.2403 CC1(C)CNC2=C1C=CC=C2 AK139225 [1,0,0,1,0,0|1,0,0]=3 137 B14R2.4507 CC1=NC2=CC=C(Cl)C=C2C1(C)C AK-87601 [0,1,0,1,0,0|2,0,0]=4 138 B14R2.4536 CC1(C)CCNC2=C1C=C(Br)C=C2 AK-27554 [0,1,0,1,0,0|2,0,0]=4 139 B14R2.4536 CC1(C)CNCC2=C1C=C(Br)C=C2 AK132642 [0,1,0,1,0,0|2,0,0]=4 140 B14R3.19564 BrC1=CC=2C3(CC3)CNC2C=C1 AK-30853 [0,0,0,2,0,0|2,0,0]=4 141 B14R3.19564 FC1=CC=C2C(=C1)C3(CN2)CC3 AK-30852 [0,0,0,2,0,0|2,0,0]=4 142 B12R1.127 CC(OC1=CC(Br)=CC=C1Cl)C AK167908 [1,0,0,0,0,1|2,0,0]=4 143 B12R1.127 NC1=CC=C(F)C=C1OC(C)C AK158053 [1,0,0,0,0,1|2,0,0]=4