0 B10R1.4 C#CCN1C=CC=CC1=O AT19221 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.4 CC1=C(CC=O)C=CC=C1 W16821 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.4 CC1=C(CON)C=CC=C1 D77271 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.4 CC1=CC=CN=C1CC#N C90297 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.4 CCCC1=C(C)C=CC=C1 T71577 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.4 CCCC1=CN=CN=C1Cl F11792 [0,0,0,0,0,0|3,1,0]=4 6 B10R1.4 CCNC1=C(F)C=CC=C1 D87863 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.4 CCNC1=CC=CN=C1O F30124 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.4 CCNC1=NC=CC=C1N AC7989 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.4 CCOC1=C(C)C=CN=C1 AC4346 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.4 CCOC1=C(F)C=CC=N1 F53248 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.4 CCOC1=CC=CN=C1Cl W17868 [0,0,0,0,0,0|3,1,0]=4 12 B10R1.4 CCSC1=C(Br)C=CC=C1 AT20838 [0,0,0,0,0,0|2,1,0]=3 13 B10R1.4 CCSC1=C(O)C=CC=C1 AT20889 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.4 CNCC1=C(F)C=CC=N1 P10655 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.4 CNCC1=C(F)C=CC=N1 P20450 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.4 CNCC1=C(N)C=CC=C1 F13330 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.4 N#CCC1=C(Br)C=NC=C1 C72683 [0,0,0,0,0,0|1,1,2]=4 18 B10R1.4 N#CCN1C=CC=CC1=O AT19223 [0,0,0,0,0,0|2,0,2]=4 19 B10R1.4 NC1=C(CCF)C=NC=C1 P14647 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.4 NCCN1C=CC=CC1=O F15207 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.4 NCCN1C=CC=NC1=O AT13871 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.4 NCCN1C=NC=CC1=O AT13878 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.4 NNCC1=C(Cl)C=CC=C1 W12211 [0,0,0,0,0,0|1,1,0]=2 24 B10R1.4 O=C1C=CC=CN1CCBr AT19229 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.4 O=C1C=CN=CN1CCO AT13876 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.4 O=CCC1=C(Cl)C=CC=C1 W16822 [0,0,0,0,0,0|1,1,1]=3 27 B9R1.8 BrCCC1=CN=CC=C1 C77647 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.8 C#C[I+]C1=CC=CC=C1 T71678 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.8 CCCC1=CC=CN=C1 O11051 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.8 CCC[N+]1=CC=CC=C1 T72121 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.8 CNNC1=CC=CC=C1 C77159 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.8 FCCC1=CC=CC=C1 75534 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.8 IC#CC1=CC=CC=C1 N11813 [1,0,0,0,0,0|1,0,2]=4 34 B9R1.8 NCCC1=CC=CC=C1 T71816 [1,0,0,0,0,0|0,0,0]=1 35 B9R1.8 NCCC1=CC=CC=C1 T72591 [1,0,0,0,0,0|0,0,0]=1 36 B9R1.8 NCCC1=NC=CC=N1 83201 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.8 NCCC1=NC=CC=N1 P10852 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.8 NCCC1=NC=CN=C1 AT22557 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.8 NCCC1=NC=NC=C1 P10950 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.8 NNCC1=NC=CC=C1 P10521 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.8 NNCC1=NC=CN=C1 D78817 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.8 NNCC1=NC=CN=C1 P19174 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.8 OCCC1=CC=NC=C1 T72404 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.8 OCCC1=NN=CC=C1 D77083 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.8 SCCC1=NC=CC=C1 F18309 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 AC8779 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.8 [C-]#[N+]CC1=CN=CC=C1 F16136 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.15 C=CC1=C(C)C=CC=C1 T72704 [1,0,0,0,0,0|1,0,2]=4 49 B9R1.15 C=CC1=CC=CN=C1F P13082 [1,0,0,0,0,0|1,0,2]=4 50 B9R1.15 CC1=C(CBr)C=CC=N1 FD9046 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.15 CC1=C(CBr)C=CC=N1 P11218 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.15 CC1=C(CCl)C=CC=N1 P10970 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.15 CC1=C(CCl)C=NC=C1 P10971 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.15 CC1=CC=CN=C1CBr D97530 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.15 CC1=NC=CN=C1CN 38702 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.15 CCC1=C(Br)C=CN=C1 H11182 [1,0,0,0,0,0|1,1,0]=3 57 B9R1.15 CCC1=C(N)N=NC=C1 S11451 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.15 CCC1=CC=CN=C1C 75814 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.15 CCC1=CN=CN=C1O C15413 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.15 CNC1=C(F)C=NC=N1 AT18309 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.15 COC1=C(Br)C=CN=C1 F10479 [1,0,0,0,0,0|2,1,0]=4 62 B9R1.15 COC1=C(C)C=NC=C1 D74380 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.15 ClC1=CC=CN=C1CBr 79180 [1,0,0,0,0,0|2,1,0]=4 64 B9R1.15 ClC1=CC=CN=C1CBr 86640 [1,0,0,0,0,0|2,1,0]=4 65 B9R1.15 ClCC1=CC=CN=C1Br 55187 [1,0,0,0,0,0|2,1,0]=4 66 B9R1.15 FC1=C(CBr)C=CC=N1 AT20654 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.15 N#CC1=C(S)C=CC=C1 AT20892 [1,0,0,0,0,0|1,0,2]=4 68 B9R1.15 NC1=C(CCl)C=CC=N1 89794 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.15 NCC1=C(Br)C=NC=C1 98160 [1,0,0,0,0,0|1,1,0]=3 70 B9R1.15 NCC1=C(Cl)C=CN=C1 C11073 [1,0,0,0,0,0|1,1,0]=3 71 B9R1.15 NCC1=C(F)C=CN=C1 C90218 [1,0,0,0,0,0|1,0,0]=2 72 B9R1.15 NCC1=C(I)C=CC=C1 AT26620 [1,0,0,0,0,0|0,1,0]=2 73 B9R1.15 NCC1=C(O)C=CC=N1 C73700 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.15 NCC1=C(O)C=CN=C1 AT18117 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.15 NCC1=CC=CN=C1Cl 37571 [1,0,0,0,0,0|1,1,0]=3 76 B9R1.15 NCC1=CC=CN=C1N CL0345 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.15 NCC1=[N+]([O-])C=CC=C1 D86206 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.15 NNC1=C(Br)C=CC=N1 F30216 [1,0,0,0,0,0|2,1,0]=4 79 B9R1.15 NNC1=CC=CN=C1Cl D76828 [1,0,0,0,0,0|2,1,0]=4 80 B9R1.15 OCC1=C(F)C=CN=C1 P11878 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.15 [2H]CC1=C(F)C=CC=C1 D99779 [1,0,0,0,0,0|1,0,0]=2 82 B9R1.15 [C-]#[N+]C1=C(Cl)C=CC=C1 AC9402 [1,0,0,0,0,0|1,1,1]=4 83 B11R1.13 C=CCC1=C(O)C(C)=CC=C1 AC5932 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.13 CC1=C(Cl)C=CC=C1CC#N C90793 [0,1,0,0,0,0|1,0,2]=4 85 B11R1.13 CCOC1=C(C)C(N)=CC=C1 F18648 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.13 CN1C(=O)C=CN=C1CCN AT13879 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.13 ClC1=CC=CC(CCBr)=C1Cl C78633 [0,1,0,0,0,0|1,1,0]=3 88 B11R1.13 FC1=CC=CC(N=C=S)=C1F CK2529 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.13 N#CCC1=CC=CC(Br)=C1Cl D96283 [0,1,0,0,0,0|0,1,2]=4 90 B11R1.13 N#CCC1=CC=CC(F)=C1Cl 94661 [0,1,0,0,0,0|0,1,2]=4 91 B11R1.13 O=CCC1=CC=CC(F)=C1F 22736 [0,1,0,0,0,0|1,0,1]=3 92 B11R1.13 OCCC1=NC=CC(Cl)=C1Br W11042 [0,1,0,0,0,0|2,1,0]=4 93 B11R1.17 BrCCCC1=C(Br)C=CC=C1 C77748 [0,1,0,0,0,0|1,1,0]=3 94 B11R1.17 C#CCOC1=C(Br)C=CC=C1 AT23367 [0,1,0,0,0,0|1,1,1]=4 95 B11R1.17 C#CCOC1=C(Cl)C=CC=C1 AT23368 [0,1,0,0,0,0|1,1,1]=4 96 B11R1.17 C#CCOC1=C(I)C=CC=C1 AT23373 [0,1,0,0,0,0|1,1,1]=4 97 B11R1.17 C=CCCC1=C(Br)C=NC=C1 S10194 [0,1,0,0,0,0|2,1,0]=4 98 B11R1.17 CC1=CC=CN=C1CCCN W10139 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.17 CCCOC1=C(N)C=CC=C1 AC7746 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.17 CCNCC1=C(Cl)C=CC=C1 C16114 [0,1,0,0,0,0|1,1,0]=3 101 B11R1.17 CNCCC1=C(C)C=CC=C1 C78447 [0,1,0,0,0,0|1,0,0]=2 102 B11R1.17 CNCCC1=C(Cl)C=CC=C1 C78279 [0,1,0,0,0,0|0,1,0]=2 103 B11R1.17 ClC1=C(CCCBr)C=CC=C1 C78298 [0,1,0,0,0,0|1,1,0]=3 104 B11R1.17 N#CCOC1=C(Cl)C=CC=C1 AC7530 [0,1,0,0,0,0|0,1,2]=4 105 B11R1.17 NCCCC1=C(Cl)C=CC=C1 C78000 [0,1,0,0,0,0|0,1,0]=2 106 B11R1.17 NCCCC1=C(F)C=CC=C1 F20045 [0,1,0,0,0,0|0,0,0]=1 107 B11R1.17 NCCCN1C=CC=CC1=O AT19227 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.17 NCCOC1=C(Cl)C=CC=C1 L10067 [0,1,0,0,0,0|0,1,0]=2 109 B11R1.17 O=C1C=CC=CN1CCCO AT19228 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.17 OCC#CC1=C(Br)C=CC=C1 S11832 [0,1,0,0,0,0|1,1,1]=4 111 B11R1.17 OCC#CC1=C(Cl)C=CC=C1 A50678 [0,1,0,0,0,0|1,1,1]=4 112 B11R1.17 OCCCC1=C(O)C=CC=N1 85302 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.41 CCC1=C(CCO)C=CC=C1 C15362 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.41 CCSC1=C(C#N)C=CC=C1 AT20895 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.41 COC1=C(CNN)C=CC=C1 P10476 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.81 CCCC1=C(O)C=C(C)C=C1 A10895 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.81 CCNC1=C(N)C=C(Br)C=C1 89427 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.81 CCOC1=C(Br)C=C(N)C=C1 N12647 [0,1,0,0,0,0|2,1,0]=4 119 B11R1.81 CCOC1=C(C)C=C(N)C=C1 N12561 [0,1,0,0,0,0|3,0,0]=4 120 B11R1.81 CNCC1=C(Cl)C=C(F)C=C1 76695 [0,1,0,0,0,0|2,1,0]=4 121 B11R1.81 CNCC1=C(F)C=C(F)C=C1 36787 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.81 COCC1=C(Cl)C=C(Br)C=C1 N11614 [0,1,0,0,0,0|2,1,0]=4 123 B11R1.81 N#CCC1=C(I)C=C(Br)C=C1 D85729 [0,1,0,0,0,0|0,1,2]=4 124 B11R1.81 NCCC1=C(Br)C=C(Br)C=C1 P18612 [0,1,0,0,0,0|0,1,0]=2 125 B11R1.81 NCCC1=C(Br)C=C(Cl)C=C1 AC3186 [0,1,0,0,0,0|0,1,0]=2 126 B11R1.81 NCCC1=C(Br)C=C(F)C=C1 AC7044 [0,1,0,0,0,0|0,1,0]=2 127 B11R1.81 NCCC1=C(F)C=C(Br)C=C1 50240 [0,1,0,0,0,0|0,0,0]=1 128 B11R1.81 NCCC1=C(F)C=C(O)C=C1 F51014 [0,1,0,0,0,0|0,0,0]=1 129 B11R1.81 NCCN1C=CC(=O)NC1=O F17292 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.81 NCCN1C=CC(=O)NC1=O F20734 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.81 NNCC1=C(Br)C=C(F)C=C1 AC5368 [0,1,0,0,0,0|1,1,0]=3 132 B11R1.81 NNCC1=C(Cl)C=C(Cl)C=C1 AC4339 [0,1,0,0,0,0|1,1,0]=3 133 B11R1.81 NNCC1=C(Cl)C=C(Cl)C=C1 P10432 [0,1,0,0,0,0|1,1,0]=3 134 B11R1.81 NNCC1=C(Cl)C=C(F)C=C1 A12240 [0,1,0,0,0,0|1,1,0]=3 135 B11R1.81 NNCC1=C(Cl)C=C(F)C=C1 P10526 [0,1,0,0,0,0|1,1,0]=3 136 B11R1.81 NNCC1=C(F)C=C(Br)C=C1 AC5349 [0,1,0,0,0,0|1,0,0]=2 137 B11R1.81 NNCC1=C(F)C=C(F)C=C1 AC5364 [0,1,0,0,0,0|1,0,0]=2 138 B11R1.81 N\N=C/C1=C(F)C=C(Br)C=C1 A50963 [0,1,0,0,0,0|1,0,1]=3 139 B11R1.81 O=C1C=C(Br)C=CN1CCO AT13847 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.81 O=CCC1=C(Cl)C=C(Cl)C=C1 C15524 [0,1,0,0,0,0|1,1,1]=4 141 B11R1.81 OCCC1=C(Br)C=C(Cl)C=C1 D85895 [0,1,0,0,0,0|1,1,0]=3 142 B11R1.81 OCCC1=C(F)C=C(F)C=C1 A50720 [0,1,0,0,0,0|1,0,0]=2 143 B11R1.81 O\N=C\C1=C(F)C=C(F)C=C1 W18455 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.86 CC(C)NC1=C(Br)C=CC=C1 C77931 [0,1,0,0,0,0|2,1,0]=4 145 B11R1.86 CC(C)NC1=C(Cl)C=CC=C1 C78464 [0,1,0,0,0,0|2,1,0]=4 146 B11R1.86 CC(C)NC1=C(F)C=CC=C1 C77765 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.86 CC(C)NC1=C(S)C=CC=C1 AC8476 [0,1,0,0,0,0|3,0,0]=4 148 B11R1.86 CC1=C(C[C@H](C)N)C=CC=C1 N10867 [0,1,0,0,0,0|1,0,0]=2 149 B11R1.86 C[C@H](N)CC1=C(Br)C=CC=C1 N11144 [0,1,0,0,0,0|0,1,0]=2 150 B11R1.86 C[C@H](N)CC1=C(Cl)C=CC=C1 N11063 [0,1,0,0,0,0|0,1,0]=2 151 B11R1.86 C[C@H](O)CC1=C(Br)C=NC=C1 AT12941 [0,1,0,0,0,0|2,1,0]=4 152 B11R1.86 FC(F)OC1=C(Cl)C=CC=C1 F19093 [0,1,0,0,0,0|2,1,0]=4 153 B11R1.86 FC1=C(OC(F)F)C=CC=C1 F18842 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.86 NC(=O)CC1=NC=CC=C1O D87092 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.182 CC1=C(CC#N)C=C(Cl)C=C1 AT13429 [0,1,0,0,0,0|1,0,2]=4 156 B11R1.182 CC1=C(CCN)C=C(Cl)C=C1 AT13431 [0,1,0,0,0,0|1,0,0]=2 157 B11R1.182 CC1=CC(CC#N)=C(Br)C=C1 D96277 [0,1,0,0,0,0|0,1,2]=4 158 B11R1.182 CCCC1=C(Br)C=CC(O)=C1 57995 [0,1,0,0,0,0|1,1,0]=3 159 B11R1.182 CCCN1C=C(N)C=CC1=O AT19282 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.182 CCOC1=C(F)C=CC(Br)=C1 H11056 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.182 CCOC1=CC(Br)=NC=C1F AT26884 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.182 CNCC1=C(Cl)C=CC(Cl)=C1 76693 [0,1,0,0,0,0|2,1,0]=4 163 B11R1.182 CNCC1=C(F)C=CC(Br)=C1 36267 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.182 COCC1=C(Br)C=CC(F)=C1 N11817 [0,1,0,0,0,0|2,1,0]=4 165 B11R1.182 ClC1=CC(CCBr)=C(Cl)C=C1 C78205 [0,1,0,0,0,0|1,1,0]=3 166 B11R1.182 N#CCC1=CC(Br)=CN=C1F AT21644 [0,1,0,0,0,0|1,0,2]=4 167 B11R1.182 NC1=CN(CCO)C(=O)C=C1 AT19231 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.182 NCCC1=C(Br)C=CC(Cl)=C1 AT11063 [0,1,0,0,0,0|0,1,0]=2 169 B11R1.182 NCCC1=C(F)C=CC(Br)=C1 N12525 [0,1,0,0,0,0|0,0,0]=1 170 B11R1.182 NCCC1=C(F)C=CC(F)=C1 AT21560 [0,1,0,0,0,0|0,0,0]=1 171 B11R1.182 NCCN1C=C(Br)C=CC1=O AT19269 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.182 NNCC1=C(Br)C=CC(Cl)=C1 AC5350 [0,1,0,0,0,0|1,1,0]=3 173 B11R1.182 NNCC1=C(Cl)C=CC(F)=C1 AC5377 [0,1,0,0,0,0|1,1,0]=3 174 B11R1.182 NNCC1=C(F)C=CC(Br)=C1 AC5379 [0,1,0,0,0,0|1,0,0]=2 175 B11R1.182 N\N=C\C1=C(F)C=CC(Br)=C1 36791 [0,1,0,0,0,0|1,0,1]=3 176 B11R1.182 O=C1C=CC(Br)=CN1CCO AT13854 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.222 C#C[C@@H](O)C1=C(Br)C=CC=C1 AC5641 [0,1,0,0,0,0|1,1,1]=4 178 B11R1.222 C#C[C@@H](O)C1=C(C)C=CC=C1 AC4137 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.222 C#C[C@@H](O)C1=C(Cl)C=CC=C1 AC5063 [0,1,0,0,0,0|1,1,1]=4 180 B11R1.222 C#C[C@@H](O)C1=C(F)C=CC=C1 AC5690 [0,1,0,0,0,0|1,0,1]=3 181 B11R1.222 C#C[C@@H](O)C1=C(O)C=CC=C1 AC5065 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.222 C=C[C@H](N)C1=C(Br)C=CC=C1 N15249 [0,1,0,0,0,0|1,1,1]=4 183 B11R1.222 C=C[C@H](N)C1=C(Br)C=CC=C1 N15250 [0,1,0,0,0,0|1,1,1]=4 184 B11R1.222 C=C[C@H](N)C1=C(Br)C=CC=C1 N15251 [0,1,0,0,0,0|1,1,1]=4 185 B11R1.222 C=C[C@H](N)C1=C(C)C=CC=C1 N15259 [0,1,0,0,0,0|2,0,1]=4 186 B11R1.222 C=C[C@H](N)C1=C(C)C=CC=C1 N15260 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.222 C=C[C@H](N)C1=C(C)C=CC=C1 N15261 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.222 C=C[C@H](N)C1=C(Cl)C=CC=C1 N15239 [0,1,0,0,0,0|1,1,1]=4 189 B11R1.222 C=C[C@H](N)C1=C(Cl)C=CC=C1 N15240 [0,1,0,0,0,0|1,1,1]=4 190 B11R1.222 C=C[C@H](N)C1=C(Cl)C=CC=C1 N15241 [0,1,0,0,0,0|1,1,1]=4 191 B11R1.222 C=C[C@H](N)C1=C(F)C=CC=C1 N15232 [0,1,0,0,0,0|1,0,1]=3 192 B11R1.222 C=C[C@H](N)C1=C(F)C=CC=C1 N15233 [0,1,0,0,0,0|1,0,1]=3 193 B11R1.222 C=C[C@H](N)C1=C(F)C=CC=C1 N15234 [0,1,0,0,0,0|1,0,1]=3 194 B11R1.222 C=C[C@H](N)C1=C(O)C=CC=C1 N15292 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.222 C=C[C@H](N)C1=C(O)C=CC=C1 N15293 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.222 C=C[C@H](N)C1=C(O)C=CC=C1 N15294 [0,1,0,0,0,0|2,0,1]=4 197 B11R1.222 CC1=C(C(=O)CO)C=CC=C1 AC4310 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.222 CC1=C([C@@H](N)CF)C=CC=C1 N14610 [0,1,0,0,0,0|2,0,0]=3 199 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13426 [0,1,0,0,0,0|1,0,0]=2 200 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13427 [0,1,0,0,0,0|1,0,0]=2 201 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13428 [0,1,0,0,0,0|1,0,0]=2 202 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13449 [0,1,0,0,0,0|1,0,0]=2 203 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13450 [0,1,0,0,0,0|1,0,0]=2 204 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13451 [0,1,0,0,0,0|1,0,0]=2 205 B11R1.222 CC1=C([C@@H](N)CO)C=CC=C1 N15069 [0,1,0,0,0,0|2,0,0]=3 206 B11R1.222 CC1=CC=CN=C1[C@@H](N)CN N14901 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.222 CCC(=O)C1=C(Br)C=CC=C1 72058 [0,1,0,0,0,0|1,1,1]=4 208 B11R1.222 CCC(=O)C1=C(F)C=CC=N1 N14248 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.222 CCC(=O)C1=C(F)C=NC=C1 N14283 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.222 CCC(=O)C1=CC=CN=C1F N14261 [0,1,0,0,0,0|2,0,1]=4 211 B11R1.222 CC[C@H](C)C1=C(N)C=CC=C1 35361 [0,1,0,0,0,0|2,0,0]=3 212 B11R1.222 CC[C@H](N)C1=C(Br)C=CC=C1 N13015 [0,1,0,0,0,0|1,1,0]=3 213 B11R1.222 CC[C@H](N)C1=C(Cl)C=NC=C1 N14403 [0,1,0,0,0,0|2,1,0]=4 214 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13856 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13857 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13858 [0,1,0,0,0,0|3,0,0]=4 217 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13859 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.222 CC[C@H](O)C1=C(Br)C=CC=C1 N12628 [0,1,0,0,0,0|1,1,0]=3 219 B11R1.222 CC[C@H](O)C1=C(C)C=CC=C1 N14414 [0,1,0,0,0,0|2,0,0]=3 220 B11R1.222 CC[C@H](O)C1=C(Cl)C=CC=C1 N14413 [0,1,0,0,0,0|1,1,0]=3 221 B11R1.222 CN[C@@H](C)C1=C(Br)C=CC=C1 N12718 [0,1,0,0,0,0|2,1,0]=4 222 B11R1.222 CN[C@@H](C)C1=C(C)C=CC=C1 N12531 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.222 CN[C@@H](C)C1=C(O)C=CC=C1 N12719 [0,1,0,0,0,0|3,0,0]=4 224 B11R1.222 N#C[C@@H](N)C1=C(F)C=CC=C1 AT10485 [0,1,0,0,0,0|0,0,2]=3 225 B11R1.222 NC1=C(C(=O)CCl)C=CC=C1 72272 [0,1,0,0,0,0|2,0,1]=4 226 B11R1.222 NCC(=O)C1=C(Br)C=CC=C1 W17616 [0,1,0,0,0,0|0,1,1]=3 227 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13418 [0,1,0,0,0,0|0,1,0]=2 228 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13419 [0,1,0,0,0,0|0,1,0]=2 229 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13441 [0,1,0,0,0,0|0,1,0]=2 230 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13442 [0,1,0,0,0,0|0,1,0]=2 231 B11R1.222 NC[C@H](N)C1=C(Cl)C=CC=C1 N13403 [0,1,0,0,0,0|0,1,0]=2 232 B11R1.222 NC[C@H](N)C1=C(Cl)C=CC=C1 N13409 [0,1,0,0,0,0|0,1,0]=2 233 B11R1.222 NC[C@H](N)C1=C(Cl)C=CC=C1 N13410 [0,1,0,0,0,0|0,1,0]=2 234 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13390 [0,1,0,0,0,0|0,0,0]=1 235 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13391 [0,1,0,0,0,0|0,0,0]=1 236 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13392 [0,1,0,0,0,0|0,0,0]=1 237 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13393 [0,1,0,0,0,0|0,0,0]=1 238 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13394 [0,1,0,0,0,0|0,0,0]=1 239 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13395 [0,1,0,0,0,0|0,0,0]=1 240 B11R1.222 NC[C@H](O)C1=C(Br)C=CC=C1 71742 [0,1,0,0,0,0|0,1,0]=2 241 B11R1.222 NC[C@H](O)C1=C(F)C=CC=C1 C78140 [0,1,0,0,0,0|0,0,0]=1 242 B11R1.222 NC[C@H](O)C1=C(I)C=CC=C1 O10641 [0,1,0,0,0,0|0,1,0]=2 243 B11R1.222 N[C@@H](CF)C1=C(F)C=CC=C1 N14609 [0,1,0,0,0,0|1,0,0]=2 244 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 C77783 [0,1,0,0,0,0|1,1,0]=3 245 B11R1.222 N[C@@H](CO)C1=C(Cl)C=NC=C1 N14404 [0,1,0,0,0,0|2,1,0]=4 246 B11R1.222 N[C@@H](CO)C1=C(O)C=CC=C1 N15244 [0,1,0,0,0,0|2,0,0]=3 247 B11R1.222 N[C@@H](CO)C1=C(O)C=CC=C1 N15255 [0,1,0,0,0,0|2,0,0]=3 248 B11R1.222 N[C@@H](CO)C1=C(O)C=CC=N1 N14918 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.222 O=C(CBr)C1=NC=CC=C1F F13389 [0,1,0,0,0,0|2,0,1]=4 250 B11R1.222 O=C(CCl)C1=C(Cl)C=CC=C1 D71120 [0,1,0,0,0,0|1,1,1]=4 251 B11R1.222 O=C(CF)C1=CC=CN=C1F AT10155 [0,1,0,0,0,0|2,0,1]=4 252 B11R1.222 O=C(CO)C1=C(Br)C=CC=C1 AC7495 [0,1,0,0,0,0|1,1,1]=4 253 B11R1.222 O=C(CO)C1=C(F)C=CC=C1 AC5617 [0,1,0,0,0,0|1,0,1]=3 254 B11R1.222 O=C(CO)C1=C(I)C=CC=C1 AC7053 [0,1,0,0,0,0|1,1,1]=4 255 B11R1.222 O[C@@H](CF)C1=CC=CN=C1F AT10158 [0,1,0,0,0,0|2,0,0]=3 256 B11R1.605 CCOC1=C(Br)C=CC=C1C N10239 [0,1,0,0,0,0|2,1,0]=4 257 B11R1.605 CCOC1=C(Cl)C=CC=C1N C77678 [0,1,0,0,0,0|2,1,0]=4 258 B11R1.605 CNCC1=C(F)C=CC=C1F 36785 [0,1,0,0,0,0|2,0,0]=3 259 B11R1.605 ClC1=CC=CC(Cl)=C1CCBr C78204 [0,1,0,0,0,0|1,1,0]=3 260 B11R1.605 NCCC1=C(F)C=CC=C1F AT21561 [0,1,0,0,0,0|0,0,0]=1 261 B11R1.605 NCCC1=C(F)C=CC=C1O F50611 [0,1,0,0,0,0|0,0,0]=1 262 B11R1.605 NCCN1C(=O)C=CNC1=O C15628 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.605 O=CCC1=C(F)C=CC=C1F 36768 [0,1,0,0,0,0|1,0,1]=3 264 B11R1.605 OCCC1=C(F)C=CC=C1F A50722 [0,1,0,0,0,0|1,0,0]=2 265 B11R2.10 N=C1CC2=C(C=CC=C2)N1 30671 [0,0,0,1,0,0|1,0,2]=4 266 B11R2.10 NC1=CC2=C(C=CC=C2)N1 79767 [0,0,0,1,0,0|1,0,2]=4 267 B11R2.10 NC1=CC2=C(C=CC=C2)N1 F13373 [0,0,0,1,0,0|1,0,2]=4 268 B11R2.10 O=C1CC2=C(C=CC=C2)S1 A51238 [0,0,0,1,0,0|2,0,1]=4 269 B11R2.20 C1=CN=C2CNCCC2=C1 P10652 [0,0,0,1,0,0|2,0,0]=3 270 B11R2.20 C1=NC=C2CCNCC2=N1 P19161 [0,0,0,1,0,0|3,0,0]=4 271 B11R2.55 BrC1=C(C2CC2)C=CN=C1 AT12865 [0,0,0,1,0,0|2,1,0]=4 272 B11R2.55 CC1=C(C2CC2)C=CC=C1 AC9736 [0,0,0,1,0,0|2,0,0]=3 273 B11R2.55 CC1=CC=CN=C1C2CC2 AC9685 [0,0,0,1,0,0|3,0,0]=4 274 B11R2.55 CC1=NC=CC=C1C2CC2 F13571 [0,0,0,1,0,0|3,0,0]=4 275 B11R2.55 ClC1=C([C@@H]2CO2)C=CC=C1 AT10463 [0,0,0,1,0,0|1,1,0]=3 276 B11R2.55 ClC1=C([C@@H]2CO2)C=CC=C1 CK2535 [0,0,0,1,0,0|1,1,0]=3 277 B11R2.55 NC1=C(C2CC2)C=CC=C1 A10978 [0,0,0,1,0,0|2,0,0]=3 278 B11R2.55 NC1=C(C2CC2)C=CN=C1 AT16333 [0,0,0,1,0,0|3,0,0]=4 279 B11R2.55 OC1=C(C2CC2)C=CC=C1 91444 [0,0,0,1,0,0|2,0,0]=3 280 B11R2.106 BrC1=C2CCCC2=NC=C1 F53407 [0,0,0,1,0,0|2,1,0]=4 281 B11R2.106 BrC1=C2CCOC2=CC=C1 F12556 [0,0,0,1,0,0|1,1,0]=3 282 B11R2.106 CC1=C2CCOC2=NC=C1 97225 [0,0,0,1,0,0|3,0,0]=4 283 B11R2.106 CC1=C2N=CNC2=CC=C1 31265 [0,0,0,1,0,0|2,0,1]=4 284 B11R2.106 CC1=CC=CC2=C1CNC2 W10109 [0,0,0,1,0,0|3,0,0]=4 285 B11R2.106 CC1=CC=CC2=C1N=NN2 C80091 [0,0,0,1,0,0|3,0,0]=4 286 B11R2.106 ClC1=C2CCCC2=CC=C1 N13077 [0,0,0,1,0,0|1,1,0]=3 287 B11R2.106 ClC1=C2CCOC2=NC=C1 97228 [0,0,0,1,0,0|2,1,0]=4 288 B11R2.106 ClC1=C2CNCC2=CC=C1 FD13081 [0,0,0,1,0,0|2,1,0]=4 289 B11R2.106 ClC1=C2OCCC2=CC=C1 F53809 [0,0,0,1,0,0|2,1,0]=4 290 B11R2.106 FC1=C2NCCC2=CC=C1 C73504 [0,0,0,1,0,0|2,0,0]=3 291 B11R2.106 FC1=C2OC=NC2=CC=C1 AC3567 [0,0,0,1,0,0|1,0,2]=4 292 B11R2.106 IC1=C2CCOC2=CC=C1 E72245 [0,0,0,1,0,0|1,1,0]=3 293 B11R2.106 IC1=C2N=NNC2=CC=C1 O11246 [0,0,0,1,0,0|2,1,0]=4 294 B11R2.106 NC1=C2N=CNC2=CC=C1 P10197 [0,0,0,1,0,0|2,0,1]=4 295 B11R2.106 NC1=NC=NC2=C1CCN2 C16504 [0,0,0,1,0,0|3,0,0]=4 296 B11R2.106 O=C1C=CC=C2NCCN12 O10576 [0,0,0,1,0,0|2,0,0]=3 297 B11R2.988 NC[C@H]1CC2=C1C=CC=C2 AT20374 [0,0,0,1,0,0|1,0,0]=2 298 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 67862 [0,0,0,1,0,0|2,0,0]=3 299 B9R1.33 CC1=C(CCN)N=CN1 C15676 [0,0,0,0,1,0|3,0,0]=4 300 B9R1.33 CC1=C(CCN)N=CO1 AT18666 [0,0,0,0,1,0|3,0,0]=4 301 B9R1.33 CC1=C(CCN)SC=N1 D84303 [0,0,0,0,1,0|3,0,0]=4 302 B9R1.33 CN1C=CN=C1CCN AT24187 [0,0,0,0,1,0|3,0,0]=4 303 B8R1.2 NCC1=CC=CC=C1 T70846 [2,0,0,0,0,0|0,0,0]=2 304 B8R1.2 [2H]OC1=CC=CC=C1 D99313 [2,0,0,0,0,0|2,0,0]=4 305 B8R1.5 CC1=[N+](C)C=CC=C1 D87448 [2,0,0,0,0,0|2,0,0]=4 306 B8R1.5 FC1=C(F)C=NC=C1 O10910 [2,0,0,0,0,0|2,0,0]=4 307 B8R1.5 FC1=CC=CN=C1S AT18759 [2,0,0,0,0,0|2,0,0]=4 308 B8R1.5 NC1=C(S)C=NC=C1 P11896 [2,0,0,0,0,0|2,0,0]=4 309 B8R1.5 OC1=[13C](O)C=CC=C1 D98565 [2,0,0,0,0,0|2,0,0]=4 310 B8R1.5 [2H]C1=C([2H])C=CC=C1 D97880 [2,0,0,0,0,0|2,0,0]=4 311 B10R1.1 CC1=CC=C(CNN)C=C1 O10110 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.1 CC1=CN=C(CCN)N=C1 AT18271 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.1 CC1=NC=C(CNN)C=C1 F15210 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.1 COCC1=CC=C(S)C=C1 AT20980 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.1 CSCC1=CC=C(Cl)C=C1 W18700 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.1 NC1=CC=C(OCF)C=C1 68782 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.1 NCCC1=CC=C(I)C=C1 C78427 [1,1,0,0,0,0|0,0,0]=2 318 B10R1.1 NCCC1=NC=C(Br)C=C1 P10593 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.1 NNCC1=CC=C(Br)C=C1 AC3503 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.1 NNCC1=CC=C(Cl)C=C1 37006 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.1 N\N=C\C1=CC=C(O)C=C1 F15571 [1,1,0,0,0,0|1,0,1]=4 322 B10R1.1 OCCC1=CN=C(Br)C=C1 AC9473 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.1 OCCC1=CN=C(F)C=C1 AC9525 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.10 CC1=CC=CC(CC=O)=C1 74805 [1,1,0,0,0,0|1,0,1]=4 325 B10R1.10 CC1=CC=CC(CCBr)=N1 AC6969 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.10 CC1=CC=CC(CCN)=N1 P19093 [1,1,0,0,0,0|1,0,0]=3 327 B10R1.10 CC1=NC=CC(CNN)=C1 F52070 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.10 CC1=NC=CC(CNN)=C1 F52466 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.10 CCCC1=CC=CC(F)=C1 36946 [1,1,0,0,0,0|1,0,0]=3 330 B10R1.10 CCNC1=CC=CC(Cl)=C1 L10102 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.10 CCNC1=CC=CC(O)=C1 F16135 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.10 CCOC1=CC=CC(S)=C1 T73015 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.10 CCSC1=CC(N)=CC=C1 AT20857 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.10 COCC1=CC(N)=CC=C1 30379 [1,1,0,0,0,0|2,0,0]=4 335 B10R1.10 CSCC1=CC(N)=CC=C1 AT15211 [1,1,0,0,0,0|2,0,0]=4 336 B10R1.10 NCCC1=CC=CC(I)=C1 C78608 [1,1,0,0,0,0|0,0,0]=2 337 B10R1.10 NNCC1=CC(Br)=CN=C1 P11105 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.10 NNCC1=CC=CC(Cl)=C1 P15270 [1,1,0,0,0,0|1,0,0]=3 339 B10R1.10 NNCC1=CC=CC(O)=C1 D87672 [1,1,0,0,0,0|1,0,0]=3 340 B10R1.10 N\N=C\C1=CC=CC(O)=C1 F15561 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.10 O=CCC1=CC=CC(Cl)=C1 W16823 [1,1,0,0,0,0|1,0,1]=4 342 B10R1.15 C=C(CO)C1=CC=CC=C1 A11577 [1,1,0,0,0,0|1,0,1]=4 343 B10R1.15 CC[C@H](N)C1=CC=CC=C1 N12648 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10611 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 L10186 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1146 [1,1,0,0,0,0|1,0,1]=4 347 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1167 [1,1,0,0,0,0|1,0,1]=4 348 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10550 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10551 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14528 [1,1,0,0,0,0|1,0,0]=3 351 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14530 [1,1,0,0,0,0|1,0,0]=3 352 B10R1.15 NCC(=O)C1=CN=CC=C1 D87739 [1,1,0,0,0,0|1,0,1]=4 353 B10R1.15 NCC(=O)C1=CN=CC=C1 F13353 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.15 NC[C@H](O)C1=CC=NC=C1 C78562 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.15 NC[C@H](O)C1=CN=CC=C1 33361 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y11546 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y12429 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12120 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12118 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12119 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12430 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.15 O[C@@H](CCl)C1=CN=CC=C1 Y10944 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.17 BrCCSC1=CC=NC=C1 AT18153 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.17 CNCCC1=CC=CN=C1 C73747 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.17 CNCCC1=CC=NC=C1 AR1715 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.17 CNNCC1=NC=CC=C1 30190 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.17 FCCNC1=CC=CC=C1 D77931 [1,1,0,0,0,0|1,0,0]=3 368 B10R1.17 NCCNC1=NC=CC=C1 O12009 [1,1,0,0,0,0|1,0,0]=3 369 B10R1.17 NCCNC1=NC=CC=N1 AT18241 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.17 NCCOC1=NC=CC=N1 AT18221 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.17 NC\C=C\C1=CC=CC=C1 A12523 [1,1,0,0,0,0|0,0,1]=3 372 B10R1.17 NNCCC1=CC=CC=C1 AC4670 [1,1,0,0,0,0|0,0,0]=2 373 B10R1.17 NOCCC1=CC=CC=C1 C10179 [1,1,0,0,0,0|0,0,0]=2 374 B10R1.17 O=CCCC1=NC=CC=C1 P20552 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.17 O=CCOC1=CC=CC=C1 C15303 [1,1,0,0,0,0|1,0,1]=4 376 B10R1.17 OCCCC1=CN=CC=C1 AC5531 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.17 OCCOC1=NC=CC=C1 C90307 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.17 SCCCC1=CN=CC=C1 F18019 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.17 SCCCC1=NC=CC=C1 F18728 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.18 CC(C)CC1=CC=NC=C1 AC2809 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.18 C[C@H](N)CC1=CC=NC=C1 F11581 [1,1,0,0,0,0|1,0,0]=3 382 B10R1.18 C[C@H](N)CC1=NC=CC=C1 F13183 [1,1,0,0,0,0|1,0,0]=3 383 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71821 [1,1,0,0,0,0|1,0,0]=3 384 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71861 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.18 N=C(N)CC1=CC=CC=C1 C15976 [1,1,0,0,0,0|0,0,1]=3 386 B10R1.18 OB(O)CC1=CC=CC=C1 32975 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.2 C=CC1=CC=CC(Br)=C1F H11842 [1,1,0,0,0,0|0,0,2]=4 388 B10R1.2 CC1=C(F)C=CC=C1CN N12172 [1,1,0,0,0,0|1,0,0]=3 389 B10R1.2 CC1=C(O)C=CC=C1CO 56654 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.2 CC1=CC=CC(CN)=C1O N10504 [1,1,0,0,0,0|1,0,0]=3 391 B10R1.2 CCC1=C(Br)C(C)=CC=C1 D85933 [1,1,0,0,0,0|0,1,0]=3 392 B10R1.2 CCC1=CC=CC(Cl)=C1N W13802 [1,1,0,0,0,0|1,0,0]=3 393 B10R1.2 CCN1C=CC=C(N)C1=O AT19274 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.2 CN1C=CC=C(CN)C1=O P11876 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.2 CNC1=CC=CC(F)=C1N AC7422 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.2 COC1=C(N)C(N)=CC=C1 F52601 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.2 COC1=C(O)C(N)=CC=C1 O10655 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.2 COC1=CC=CC(Cl)=C1N CL9246 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.2 COC1=CC=CC(S)=C1N AT19649 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.2 COC1=NC=CC(I)=C1F N11837 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.2 CSC1=C(C)C(N)=CC=C1 AT20858 [1,1,0,0,0,0|2,0,0]=4 402 B10R1.2 CSC1=CC=CC(Br)=C1C AC7030 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.2 NCC1=CC=CC(F)=C1O N12979 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.2 NCC1=CC=CC(I)=C1Cl C72087 [1,1,0,0,0,0|0,1,0]=3 405 B10R1.2 NNC1=CC=CC(Br)=C1F 53855 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.2 OCC1=CC=CC(Cl)=C1F A12360 [1,1,0,0,0,0|1,0,0]=3 407 B10R1.20 CCC1=CC=CN=C1C#N 50481 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.20 CNC1=C(CO)C=CC=C1 C74490 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.20 CNC1=C(SC)C=CC=C1 AT20832 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.20 COC1=C(CN)C=CN=C1 P16442 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.20 COC1=C(CN)N=CC=C1 O10088 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.20 COC1=C(NN)C=CC=C1 71208 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.20 COC1=NC=CC=C1CN 36590 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.20 N#CC1=NC=CC=C1CN 92898 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.25 BrCC1=C(Br)C=C(Br)C=C1 C90776 [1,1,0,0,0,0|1,1,0]=4 416 B10R1.25 C=CC1=C(F)C=C(Cl)C=C1 AC6667 [1,1,0,0,0,0|0,0,2]=4 417 B10R1.25 CC1=C(CBr)C=CC(N)=C1 98280 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.25 CC1=C(CO)C=CC(Cl)=C1 T70197 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.25 CC1=C(CO)C=CC(F)=C1 CK2474 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.25 CC1=C(CO)C=CC(O)=C1 N13176 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.25 CC1=CC(C)=NC=C1CN W16199 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.25 CC1=CC(F)=C(CN)C=C1 A12837 [1,1,0,0,0,0|0,0,0]=2 423 B10R1.25 CC1=CC(F)=C(CO)C=C1 98275 [1,1,0,0,0,0|1,0,0]=3 424 B10R1.25 CC1=CC(F)=C(NN)C=C1 A12578 [1,1,0,0,0,0|1,0,0]=3 425 B10R1.25 CC1=CC(N)=C(CO)C=C1 O10038 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.25 CC1=CC(O)=C(CO)C=C1 N12596 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.25 CC1=CN=C(CN)C(C)=C1 D73748 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.25 CCC1=C(Br)C=C(Br)C=N1 F14393 [1,1,0,0,0,0|1,1,0]=4 429 B10R1.25 CCC1=C(N)C=C(F)C=C1 F20990 [1,1,0,0,0,0|1,0,0]=3 430 B10R1.25 CCN1C=CC(N)=CC1=O P12616 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.25 CNC1=C(F)C=C(Br)C=C1 AT23114 [1,1,0,0,0,0|1,0,0]=3 432 B10R1.25 CNC1=C(F)C=C(Cl)C=C1 C11094 [1,1,0,0,0,0|1,0,0]=3 433 B10R1.25 CNC1=NC=C(Cl)C=C1F N10103 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.25 COC1=C(F)C=C(O)C=N1 91782 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.25 COC1=C(I)C=C(I)C=C1 AT18541 [1,1,0,0,0,0|1,1,0]=4 436 B10R1.25 COC1=NC=C(Cl)C=C1F N10102 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.25 CSC1=C(Br)C=C(Br)C=C1 C13885 [1,1,0,0,0,0|1,1,0]=4 438 B10R1.25 CSC1=C(F)C=C(O)C=C1 94985 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.25 FC1=CC(F)=C(CS)C=C1 AT13686 [1,1,0,0,0,0|1,0,0]=3 440 B10R1.25 NC1=C(CO)C=CC(F)=C1 AC5155 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.25 NC1=CC(F)=C(CO)C=C1 AT26531 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.25 NC1=CC(O)=C(CO)C=C1 D76340 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.25 NCC1=C(Br)C=C(Br)C=N1 C91443 [1,1,0,0,0,0|1,1,0]=4 444 B10R1.25 NCC1=C(Br)C=C(Cl)C=N1 C91442 [1,1,0,0,0,0|1,1,0]=4 445 B10R1.25 NCC1=C(Br)C=C(F)C=C1 Y11648 [1,1,0,0,0,0|0,1,0]=3 446 B10R1.25 NCC1=C(Cl)C=C(O)C=C1 F52064 [1,1,0,0,0,0|0,1,0]=3 447 B10R1.25 NCC1=C(F)C=C(F)C=N1 AC1076 [1,1,0,0,0,0|1,0,0]=3 448 B10R1.25 NCC1=C(F)C=C(F)C=N1 O10070 [1,1,0,0,0,0|1,0,0]=3 449 B10R1.25 NCC1=C(F)C=C(N)C=C1 C90567 [1,1,0,0,0,0|0,0,0]=2 450 B10R1.25 NCC1=C(F)C=C(O)C=C1 N14307 [1,1,0,0,0,0|0,0,0]=2 451 B10R1.25 NCC1=C(N)C=C(Cl)C=C1 AC6575 [1,1,0,0,0,0|1,0,0]=3 452 B10R1.25 NCC1=C(O)C=C(Br)C=C1 AT19138 [1,1,0,0,0,0|1,0,0]=3 453 B10R1.25 NCC1=C(O)C=C(O)C=C1 I11211 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.25 NCC1=NC=C(Br)C=C1F P12061 [1,1,0,0,0,0|1,0,0]=3 455 B10R1.25 NCC1=NC=C(Cl)C=C1F W15622 [1,1,0,0,0,0|1,0,0]=3 456 B10R1.25 NNC1=C(Br)C=C(F)C=C1 69916 [1,1,0,0,0,0|1,1,0]=4 457 B10R1.25 NNC1=C(Cl)C=C(F)C=C1 C10398 [1,1,0,0,0,0|1,1,0]=4 458 B10R1.25 NNC1=NC=C(Br)C=C1F 96144 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.25 NNC1=NC=C(Cl)C=C1F 96147 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.25 OCC1=C(I)C=C(Cl)C=C1 C90809 [1,1,0,0,0,0|1,1,0]=4 461 B10R1.25 OCC1=C(O)C=C(F)C=C1 A51208 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.30 BrCC1=C(Br)C=CC(Br)=C1 68639 [1,1,0,0,0,0|1,1,0]=4 463 B10R1.30 BrCC1=C(Br)C=CC(I)=C1 CL9154 [1,1,0,0,0,0|1,1,0]=4 464 B10R1.30 BrCC1=C(I)C=CC(Br)=C1 CL9155 [1,1,0,0,0,0|1,1,0]=4 465 B10R1.30 C=CC1=C(F)C=CC(F)=C1 CK2551 [1,1,0,0,0,0|0,0,2]=4 466 B10R1.30 CC1=C(CBr)C=C(Cl)C=C1 73456 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.30 CC1=C(CO)C=C(O)C=C1 AC3540 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.30 CC1=CC(CBr)=C(F)C=C1 98276 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.30 CC1=CC(CO)=C(I)C=C1 H11526 [1,1,0,0,0,0|1,1,0]=4 470 B10R1.30 CC1=NC(CO)=C(F)C=C1 C91534 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.30 CCC1=C(Br)C=NC(Cl)=C1 AT13829 [1,1,0,0,0,0|1,1,0]=4 472 B10R1.30 CCC1=C(C)C=CC(C)=C1 T71937 [1,1,0,0,0,0|1,0,0]=3 473 B10R1.30 CCC1=CC(Br)=NC=C1N 51679 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.30 CCN1C=C(N)C=CC1=O AT19278 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.30 CNC1=C(F)C=CC(Br)=C1 AC3023 [1,1,0,0,0,0|1,0,0]=3 476 B10R1.30 CNC1=C(N)C=CC(Cl)=C1 C76710 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.30 CNC1=C(O)C=CC(C)=C1 C16345 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.30 CNC1=CC(Cl)=NC=C1F F13412 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.30 COC1=C(C)C=CC(O)=C1 AT19376 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.30 COC1=C(S)C=CC(N)=C1 D87749 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.30 COC1=CC(Br)=NC=C1F AT26883 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.30 CSC1=C(Br)C=CC(Br)=C1 C13369 [1,1,0,0,0,0|1,1,0]=4 483 B10R1.30 CSC1=C(N)C=CC(C)=C1 AT20827 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.30 FCC1=C(F)C=CC(Br)=N1 C92966 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.30 NCC1=C(Br)C=CC(F)=C1 AC7757 [1,1,0,0,0,0|0,1,0]=3 486 B10R1.30 NCC1=C(Br)C=CC(O)=C1 D88088 [1,1,0,0,0,0|0,1,0]=3 487 B10R1.30 NCC1=C(F)C=CC(N)=C1 AC9197 [1,1,0,0,0,0|0,0,0]=2 488 B10R1.30 NCC1=C(I)C=CC(Br)=C1 67324 [1,1,0,0,0,0|0,1,0]=3 489 B10R1.30 NCC1=C(N)C=CC(Br)=C1 O10495 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.30 NCC1=C(N)C=CC(F)=C1 CK2412 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.30 NCC1=C(O)C=CC(Br)=C1 76231 [1,1,0,0,0,0|1,0,0]=3 492 B10R1.30 NCC1=CC(Br)=CN=C1F P12283 [1,1,0,0,0,0|1,0,0]=3 493 B10R1.30 NCC1=CC(Br)=CN=C1N AC3840 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.30 NCC1=CC(Cl)=CN=C1O 79398 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.30 NNC1=C(Cl)C=CC(Br)=C1 E72103 [1,1,0,0,0,0|1,1,0]=4 496 B10R1.30 NNC1=C(F)C=CC(Cl)=C1 A51221 [1,1,0,0,0,0|1,0,0]=3 497 B10R1.30 OCC1=C(F)C=CC(Cl)=N1 A10682 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.30 OCC1=CC(Br)=CN=C1F P11806 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.30 OCC1=CC(F)=CN=C1F AT10048 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.61 C=C(C)C1=C(I)C=CC=C1 E72643 [1,1,0,0,0,0|0,1,1]=4 501 B10R1.61 CC(=O)C1=C(S)C=CC=C1 93483 [1,1,0,0,0,0|1,0,1]=4 502 B10R1.61 CC1=C(C(C)C)C=CC=C1 T71005 [1,1,0,0,0,0|1,0,0]=3 503 B10R1.61 C[C@H](Br)C1=C(Cl)C=CC=C1 C77623 [1,1,0,0,0,0|0,1,0]=3 504 B10R1.61 C[C@H](Cl)C1=C(Cl)C=CC=C1 A11172 [1,1,0,0,0,0|0,1,0]=3 505 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 70081 [1,1,0,0,0,0|1,1,0]=4 506 B10R1.61 C[C@H](N)C1=C(Cl)C=NC=C1 N14402 [1,1,0,0,0,0|1,1,0]=4 507 B10R1.61 C[C@H](N)C1=C(O)C=CC=N1 N14916 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.61 C[C@H](N)C1=CC=CN=C1N P19332 [1,1,0,0,0,0|2,0,0]=4 509 B10R1.61 C[C@H](O)C1=C(N)N=CC=C1 C10363 [1,1,0,0,0,0|2,0,0]=4 510 B10R1.61 N=C(N)C1=C(F)C=CC=C1 W10322 [1,1,0,0,0,0|0,0,1]=3 511 B10R1.61 N=C(N)C1=C(F)C=CC=N1 F51910 [1,1,0,0,0,0|1,0,1]=4 512 B10R1.61 NC(=O)C1=C(F)C=NC=C1 55531 [1,1,0,0,0,0|1,0,1]=4 513 B10R1.245 CC1=C(CN)C(=O)NC=C1 F18093 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.245 CC1=CC=CC(Br)=C1CO D96259 [1,1,0,0,0,0|1,1,0]=4 515 B10R1.245 CC1=CC=CC(N)=C1CO AC6550 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.245 COC1=C(Cl)C=CN=C1F 91699 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.245 COC1=C(I)C=CC=C1Cl C90767 [1,1,0,0,0,0|1,1,0]=4 518 B10R1.245 COC1=C(I)C=CN=C1F AT19119 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.245 COC1=C(O)C=CC=C1N AT15764 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.245 COC1=C(O)C=CN=C1F 91686 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.245 FC1=CN=CC(Br)=C1CCl 31765 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.245 FC1=CN=CC(Br)=C1CCl C73944 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.245 NCC1=C(Br)C=NC=C1Br AC3558 [1,1,0,0,0,0|1,1,0]=4 524 B10R1.245 NCC1=C(Cl)C=CN=C1N 81939 [1,1,0,0,0,0|1,1,0]=4 525 B10R1.245 OCC1=C(Br)C=CC=C1Cl C91616 [1,1,0,0,0,0|1,1,0]=4 526 B10R1.245 OCC1=C(Br)C=CC=C1O 75753 [1,1,0,0,0,0|1,1,0]=4 527 B10R1.187 NCCN1C(=O)C=CC1=O D73536 [0,1,0,0,1,0|2,0,0]=4 528 B12R1.24 C=C[C@H](N)C1=C(F)C(C)=CC=C1 N15328 [0,2,0,0,0,0|1,0,1]=4 529 B12R1.24 C=C[C@H](N)C1=C(F)C(C)=CC=C1 N15329 [0,2,0,0,0,0|1,0,1]=4 530 B12R1.24 C=C[C@H](N)C1=CC=CC(Br)=C1F N15325 [0,2,0,0,0,0|1,0,1]=4 531 B12R1.24 C=C[C@H](N)C1=CC=CC(Br)=C1F N15326 [0,2,0,0,0,0|1,0,1]=4 532 B12R1.24 C=C[C@H](N)C1=CC=CC(Br)=C1F N15327 [0,2,0,0,0,0|1,0,1]=4 533 B12R1.24 C=C[C@H](N)C1=CC=CC(Cl)=C1F N15322 [0,2,0,0,0,0|1,0,1]=4 534 B12R1.24 C=C[C@H](N)C1=CC=CC(Cl)=C1F N15323 [0,2,0,0,0,0|1,0,1]=4 535 B12R1.24 C=C[C@H](N)C1=CC=CC(Cl)=C1F N15324 [0,2,0,0,0,0|1,0,1]=4 536 B12R1.24 C=C[C@H](N)C1=CC=CC(F)=C1F N15319 [0,2,0,0,0,0|1,0,1]=4 537 B12R1.24 C=C[C@H](N)C1=CC=CC(F)=C1F N15320 [0,2,0,0,0,0|1,0,1]=4 538 B12R1.24 C=C[C@H](N)C1=CC=CC(F)=C1F N15321 [0,2,0,0,0,0|1,0,1]=4 539 B12R1.24 CC1=CC=CC([C@@H](N)CN)=C1Br N13711 [0,2,0,0,0,0|0,1,0]=3 540 B12R1.24 CC1=CC=CC([C@@H](N)CN)=C1Br N13712 [0,2,0,0,0,0|0,1,0]=3 541 B12R1.24 CC1=CC=CC([C@@H](N)CN)=C1Br N13713 [0,2,0,0,0,0|0,1,0]=3 542 B12R1.24 CC1=CC=CC([C@@H](N)CN)=C1C N13748 [0,2,0,0,0,0|1,0,0]=3 543 B12R1.24 CC1=CC=CC([C@@H](N)CN)=C1C N13749 [0,2,0,0,0,0|1,0,0]=3 544 B12R1.24 CC1=CC=CC([C@@H](N)CN)=C1C N13750 [0,2,0,0,0,0|1,0,0]=3 545 B12R1.24 CC1=CC=CC([C@@H](N)CN)=C1C N13751 [0,2,0,0,0,0|1,0,0]=3 546 B12R1.24 CC1=CC=CC([C@@H](N)CN)=C1C N13752 [0,2,0,0,0,0|1,0,0]=3 547 B12R1.24 CC1=CC=CC([C@@H](N)CN)=C1Cl N13574 [0,2,0,0,0,0|0,1,0]=3 548 B12R1.24 CC1=CC=CC([C@@H](N)CN)=C1Cl N13575 [0,2,0,0,0,0|0,1,0]=3 549 B12R1.24 CC1=CC=CC([C@@H](N)CN)=C1Cl N13576 [0,2,0,0,0,0|0,1,0]=3 550 B12R1.24 CC1=CC=CC([C@@H](N)CN)=C1F N13535 [0,2,0,0,0,0|0,0,0]=2 551 B12R1.24 CC1=CC=CC([C@@H](N)CN)=C1F N13536 [0,2,0,0,0,0|0,0,0]=2 552 B12R1.24 CC1=CC=CC([C@@H](N)CN)=C1F N13537 [0,2,0,0,0,0|0,0,0]=2 553 B12R1.24 CCC(=O)C1=C(F)C(C)=CC=C1 N14020 [0,2,0,0,0,0|1,0,1]=4 554 B12R1.24 CCC(=O)C1=CC=CC(Br)=C1F N14019 [0,2,0,0,0,0|1,0,1]=4 555 B12R1.24 CCC(=O)C1=CC=CC(Cl)=C1F 97466 [0,2,0,0,0,0|1,0,1]=4 556 B12R1.24 CC[C@H](N)C1=C(C)C(C)=CC=C1 N11288 [0,2,0,0,0,0|2,0,0]=4 557 B12R1.24 CC[C@H](N)C1=CC=CC(F)=C1F N11377 [0,2,0,0,0,0|1,0,0]=3 558 B12R1.24 CC[C@H](O)C1=C(C)C(C)=CC=C1 N14424 [0,2,0,0,0,0|2,0,0]=4 559 B12R1.24 CC[C@H](O)C1=CC=CC(Cl)=C1Cl N14420 [0,2,0,0,0,0|1,1,0]=4 560 B12R1.24 CC[C@H](O)C1=CC=CC(F)=C1F N14417 [0,2,0,0,0,0|1,0,0]=3 561 B12R1.24 NC[C@H](N)C1=CC=CC(Br)=C1F N13532 [0,2,0,0,0,0|0,0,0]=2 562 B12R1.24 NC[C@H](N)C1=CC=CC(Br)=C1F N13533 [0,2,0,0,0,0|0,0,0]=2 563 B12R1.24 NC[C@H](N)C1=CC=CC(Br)=C1F N13534 [0,2,0,0,0,0|0,0,0]=2 564 B12R1.24 NC[C@H](N)C1=CC=CC(Cl)=C1Cl N13571 [0,2,0,0,0,0|0,1,0]=3 565 B12R1.24 NC[C@H](N)C1=CC=CC(Cl)=C1Cl N13572 [0,2,0,0,0,0|0,1,0]=3 566 B12R1.24 NC[C@H](N)C1=CC=CC(Cl)=C1Cl N13573 [0,2,0,0,0,0|0,1,0]=3 567 B12R1.24 NC[C@H](N)C1=CC=CC(Cl)=C1F N13525 [0,2,0,0,0,0|0,0,0]=2 568 B12R1.24 NC[C@H](N)C1=CC=CC(Cl)=C1F N13528 [0,2,0,0,0,0|0,0,0]=2 569 B12R1.24 NC[C@H](N)C1=CC=CC(Cl)=C1F N13529 [0,2,0,0,0,0|0,0,0]=2 570 B12R1.24 NC[C@H](N)C1=CC=CC(Cl)=C1F N13530 [0,2,0,0,0,0|0,0,0]=2 571 B12R1.24 NC[C@H](N)C1=CC=CC(Cl)=C1F N13531 [0,2,0,0,0,0|0,0,0]=2 572 B12R1.24 NC[C@H](N)C1=CC=CC(F)=C1Cl N13568 [0,2,0,0,0,0|0,1,0]=3 573 B12R1.24 NC[C@H](N)C1=CC=CC(F)=C1Cl N13569 [0,2,0,0,0,0|0,1,0]=3 574 B12R1.24 NC[C@H](N)C1=CC=CC(F)=C1Cl N13570 [0,2,0,0,0,0|0,1,0]=3 575 B12R1.24 NC[C@H](N)C1=CC=CC(F)=C1F N13522 [0,2,0,0,0,0|0,0,0]=2 576 B12R1.24 NC[C@H](N)C1=CC=CC(F)=C1F N13523 [0,2,0,0,0,0|0,0,0]=2 577 B12R1.24 NC[C@H](N)C1=CC=CC(F)=C1F N13524 [0,2,0,0,0,0|0,0,0]=2 578 B12R1.24 NNC(=O)C1=CC=CC(Cl)=C1F 93034 [0,2,0,0,0,0|1,0,1]=4 579 B12R1.24 NNC(=O)C1=CC=CC(Cl)=C1F 93035 [0,2,0,0,0,0|1,0,1]=4 580 B12R1.24 N[C@@H](CO)C1=CC=CC(Cl)=C1Cl N12765 [0,2,0,0,0,0|1,1,0]=4 581 B12R1.24 N[C@@H](CO)C1=CC=CC(Cl)=C1F N13062 [0,2,0,0,0,0|1,0,0]=3 582 B12R1.25 CCCOC1=C(C)C(N)=CC=C1 F17950 [0,2,0,0,0,0|2,0,0]=4 583 B12R1.224 CC(C)OC1=C(F)C(O)=CC=C1 AT21292 [0,2,0,0,0,0|2,0,0]=4 584 B12R1.224 C[C@H](N)CC1=CC=CC(Cl)=C1Cl N11069 [0,2,0,0,0,0|0,1,0]=3 585 B12R1.224 FC1=C(Br)C=CC=C1OC(F)F F19075 [0,2,0,0,0,0|2,0,0]=4 586 B12R1.224 FC1=C(Cl)C=CC=C1OC(F)F F18979 [0,2,0,0,0,0|2,0,0]=4 587 B12R1.224 FC1=C(F)C(OC(F)F)=CC=C1 F18976 [0,2,0,0,0,0|2,0,0]=4 588 B12R1.224 FC1=C(I)C=CC=C1OC(F)F F19054 [0,2,0,0,0,0|2,0,0]=4 589 B12R1.224 NC(=O)CC1=CC=CC(Br)=C1F 92646 [0,2,0,0,0,0|0,0,1]=3 590 B12R1.280 COC1=C(O)C(CCN)=CC=C1 F30665 [0,2,0,0,0,0|1,0,0]=3 591 B12R1.280 COCC1=CC=CC(C#N)=C1F 94176 [0,2,0,0,0,0|2,0,0]=4 592 B12R1.497 NC1=C(CCO)C(F)=C(F)C=C1 12119 [0,2,0,0,0,0|1,0,0]=3 593 B12R1.497 OCCC1=C(Cl)C=CC(F)=C1Cl W12045 [0,2,0,0,0,0|1,1,0]=4 594 B12R1.542 CCN1C(=O)C=CC=C1CCN F13866 [0,2,0,0,0,0|2,0,0]=4 595 B12R1.544 N#CCC1=C(F)C(F)=C(Cl)C=C1 CL9562 [0,2,0,0,0,0|0,0,2]=4 596 B12R1.69 BrCCOC1=C(Br)C=C(Br)C=C1 CS2091 [0,2,0,0,0,0|1,1,0]=4 597 B12R1.69 CCNCC1=C(C)C=C(C)C=C1 W16027 [0,2,0,0,0,0|2,0,0]=4 598 B12R1.69 CNCCC1=C(Cl)C=C(Cl)C=C1 C78436 [0,2,0,0,0,0|0,1,0]=3 599 B12R1.69 FC1=CC(F)=C(CCCBr)C=C1 C77740 [0,2,0,0,0,0|1,0,0]=3 600 B12R1.69 NC1=C(NCCO)C=CC(Br)=C1 N10335 [0,2,0,0,0,0|2,0,0]=4 601 B12R1.69 NC1=CC(N)=C(OCCO)C=C1 F20765 [0,2,0,0,0,0|2,0,0]=4 602 B12R1.69 NCCCC1=C(Cl)C=C(Cl)C=C1 F20099 [0,2,0,0,0,0|0,1,0]=3 603 B12R1.69 NCCCC1=C(F)C=C(F)C=C1 C78172 [0,2,0,0,0,0|0,0,0]=2 604 B12R1.69 OCCCC1=C(F)C=C(F)C=C1 C78631 [0,2,0,0,0,0|1,0,0]=3 605 B12R1.121 CNCCC1=C(OC)C=CC=C1 C77728 [0,2,0,0,0,0|1,0,0]=3 606 B12R1.121 COC1=C(CCCBr)C=CC=C1 C78175 [0,2,0,0,0,0|2,0,0]=4 607 B12R1.121 O=CCCC1=C(CO)C=CC=C1 F19762 [0,2,0,0,0,0|2,0,0]=4 608 B12R1.125 CC(C)NCC1=C(Br)C=CC=C1 C78572 [0,2,0,0,0,0|1,1,0]=4 609 B12R1.125 CC(C)NCC1=C(Cl)C=CC=C1 C78237 [0,2,0,0,0,0|1,1,0]=4 610 B12R1.125 CC(C)NCC1=C(F)C=CC=C1 C78588 [0,2,0,0,0,0|1,0,0]=3 611 B12R1.125 CC(C)OCC1=C(Br)C=CC=C1 N10193 [0,2,0,0,0,0|1,1,0]=4 612 B12R1.125 NC1=C(CCC(=O)O)C=CC=C1 F52868 [0,2,0,0,0,0|2,0,0]=4 613 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 61030 [0,2,0,0,0,0|1,0,1]=4 614 B12R1.267 BrCCCCC1=C(Br)C=CC=C1 AT22148 [0,2,0,0,0,0|1,1,0]=4 615 B12R1.267 C=CCCOC1=C(Br)C=CC=C1 C11642 [0,2,0,0,0,0|1,1,0]=4 616 B12R1.267 C=CCOCC1=C(N)C=CC=C1 I11747 [0,2,0,0,0,0|2,0,0]=4 617 B12R1.267 CCCNCC1=C(Br)C=CC=C1 C78484 [0,2,0,0,0,0|1,1,0]=4 618 B12R1.267 CCCNCC1=C(C)C=CC=C1 C78482 [0,2,0,0,0,0|2,0,0]=4 619 B12R1.267 CCCNCC1=C(Cl)C=CC=C1 C78483 [0,2,0,0,0,0|1,1,0]=4 620 B12R1.267 CCCNCC1=C(F)C=CC=C1 C78370 [0,2,0,0,0,0|1,0,0]=3 621 B12R1.267 CCNCCC1=C(F)C=CC=C1 AC6701 [0,2,0,0,0,0|0,0,0]=2 622 B12R1.267 COCOCC1=C(Br)C=CC=C1 C11531 [0,2,0,0,0,0|1,1,0]=4 623 B12R1.267 ClCCCOC1=C(Br)C=CC=C1 N10153 [0,2,0,0,0,0|1,1,0]=4 624 B12R1.267 NCCCOC1=C(F)C=CC=C1 AC7557 [0,2,0,0,0,0|0,0,0]=2 625 B12R1.267 OCCNCC1=C(F)C=CC=C1 AT15322 [0,2,0,0,0,0|1,0,0]=3 626 B12R1.308 C=CC[C@H](O)C1=C(Cl)C=CC=C1 F14511 [0,2,0,0,0,0|1,1,0]=4 627 B12R1.308 CCCC(=O)C1=C(Br)C=CC=C1 N13959 [0,2,0,0,0,0|1,1,0]=4 628 B12R1.308 CCCC(=O)C1=C(C)C=CC=C1 N13966 [0,2,0,0,0,0|2,0,0]=4 629 B12R1.308 CCCC(=O)C1=C(Cl)C=CC=C1 N12776 [0,2,0,0,0,0|1,1,0]=4 630 B12R1.308 CCCC(=O)C1=C(F)C=CC=C1 N13948 [0,2,0,0,0,0|1,0,0]=3 631 B12R1.308 CCOC(=N)C1=C(F)C=CC=C1 AC6130 [0,2,0,0,0,0|1,0,1]=4 632 B12R1.308 N[C@@H](CCO)C1=C(Br)C=CC=C1 N13027 [0,2,0,0,0,0|1,1,0]=4 633 B12R1.308 N[C@@H](CCO)C1=C(Cl)C=CC=C1 58181 [0,2,0,0,0,0|1,1,0]=4 634 B12R1.308 N[C@@H](CCO)C1=C(F)C=CC=C1 N10902 [0,2,0,0,0,0|1,0,0]=3 635 B12R1.371 CC1=C(C[C@H](N)CO)C=CC=C1 C78603 [0,2,0,0,0,0|1,0,0]=3 636 B12R1.371 CC1=C(C[C@H](N)CO)C=CC=C1 N11149 [0,2,0,0,0,0|1,0,0]=3 637 B12R1.371 CC1=C(O[C@@H](C)CN)C=CC=C1 F50684 [0,2,0,0,0,0|1,0,0]=3 638 B12R1.371 CCC(=O)CC1=C(Br)C=CC=C1 N12602 [0,2,0,0,0,0|1,1,0]=4 639 B12R1.371 CCC(=O)CC1=C(C)C=CC=C1 N14163 [0,2,0,0,0,0|2,0,0]=4 640 B12R1.371 CCC(=O)CC1=C(Cl)C=CC=C1 N14147 [0,2,0,0,0,0|1,1,0]=4 641 B12R1.371 CC[C@H](N)CC1=C(Br)C=CC=C1 N14510 [0,2,0,0,0,0|0,1,0]=3 642 B12R1.371 CC[C@H](N)CC1=C(C)C=CC=C1 N14512 [0,2,0,0,0,0|1,0,0]=3 643 B12R1.371 CC[C@H](N)CC1=C(Cl)C=CC=C1 N14502 [0,2,0,0,0,0|0,1,0]=3 644 B12R1.371 CC[C@H](N)CC1=C(F)C=CC=C1 N14507 [0,2,0,0,0,0|0,0,0]=2 645 B12R1.371 NC[C@@H](N)CC1=C(F)C=CC=C1 N14640 [0,2,0,0,0,0|0,0,0]=2 646 B12R1.371 N[C@H](CO)CC1=C(Br)C=CC=C1 C77829 [0,2,0,0,0,0|0,1,0]=3 647 B12R1.371 N[C@H](CO)CC1=C(Cl)C=CC=C1 N11299 [0,2,0,0,0,0|0,1,0]=3 648 B12R1.371 N[C@H](CO)CC1=C(Cl)C=CC=C1 N11304 [0,2,0,0,0,0|0,1,0]=3 649 B12R1.371 N[C@H](CO)CC1=C(F)C=CC=C1 N11418 [0,2,0,0,0,0|0,0,0]=2 650 B12R1.374 CCOCC1=C(Br)C=CC(F)=C1 N10175 [0,2,0,0,0,0|1,1,0]=4 651 B12R1.374 CCOCC1=C(F)C=CC(Br)=C1 N10200 [0,2,0,0,0,0|1,0,0]=3 652 B12R1.374 ClC1=CC(OCCBr)=C(Br)C=C1 AT20088 [0,2,0,0,0,0|1,1,0]=4 653 B12R1.374 FC1=CC(CCCBr)=C(F)C=C1 C77741 [0,2,0,0,0,0|1,0,0]=3 654 B12R1.374 NCCCN1C=C(Br)C=CC1=O AT19270 [0,2,0,0,0,0|2,0,0]=4 655 B12R1.374 OCCCC1=C(F)C=CC(F)=C1 C78523 [0,2,0,0,0,0|1,0,0]=3 656 B12R1.1631 N#CCCC1=C(Cl)C=CC=C1Cl S10123 [0,2,0,0,0,0|0,1,1]=4 657 B12R1.75 COC1=C(C[C@H](C)N)C=CC=C1 N11278 [0,2,0,0,0,0|1,0,0]=3 658 B12R1.75 COC1=C(C[C@H](C)N)C=CC=C1 N11279 [0,2,0,0,0,0|1,0,0]=3 659 B12R1.77 CCC1=C([C@@H](N)CN)C=CC=C1 N13458 [0,2,0,0,0,0|1,0,0]=3 660 B12R1.77 CCC1=C([C@@H](N)CN)C=CC=C1 N13459 [0,2,0,0,0,0|1,0,0]=3 661 B12R1.77 CCC1=C([C@@H](N)CN)C=CC=C1 N13460 [0,2,0,0,0,0|1,0,0]=3 662 B12R1.77 CC[C@H](N)C1=C(CO)C=CC=C1 Y13011 [0,2,0,0,0,0|2,0,0]=4 663 B12R1.77 CC[C@H](O)C1=C(OC)C=CC=C1 N14415 [0,2,0,0,0,0|2,0,0]=4 664 B12R1.77 COC1=C(C(=O)CN)C=CC=C1 C74781 [0,2,0,0,0,0|1,0,1]=4 665 B12R1.77 COC1=C([C@@H](N)CN)C=CC=C1 N12819 [0,2,0,0,0,0|1,0,0]=3 666 B12R1.77 COC1=C([C@@H](N)CN)C=CC=C1 N13475 [0,2,0,0,0,0|1,0,0]=3 667 B12R1.77 COC1=C([C@@H](N)CN)C=CC=C1 N13476 [0,2,0,0,0,0|1,0,0]=3 668 B12R1.77 COC1=C([C@@H](N)CN)C=CC=C1 N13483 [0,2,0,0,0,0|1,0,0]=3 669 B12R1.77 COC1=C([C@@H](N)CN)C=CC=C1 N13484 [0,2,0,0,0,0|1,0,0]=3 670 B12R1.77 COC1=C([C@@H](N)CO)C=CC=C1 D81510 [0,2,0,0,0,0|2,0,0]=4 671 B12R1.77 COC1=C([C@@H](O)CO)C=CC=C1 W15251 [0,2,0,0,0,0|2,0,0]=4 672 B12R1.169 COCC1=C(CCO)C=CC=C1 C14460 [0,2,0,0,0,0|2,0,0]=4 673 B12R1.283 NNCC1=C([N+](=O)[O-])C=CC=C1 W16013 [0,2,0,0,0,0|2,0,0]=4 674 B12R1.1112 COC1=CC=CC(F)=C1CCN F50615 [0,2,0,0,0,0|0,0,0]=2 675 B12R1.233 CC(=O)CC1=C(F)C=C(Cl)C=C1 96498 [0,2,0,0,0,0|1,0,1]=4 676 B12R1.233 CN(C)CC1=C(F)C=C(Br)C=C1 N11554 [0,2,0,0,0,0|2,0,0]=4 677 B12R1.233 C[C@H](N)CC1=C(Cl)C=C(Cl)C=C1 N11064 [0,2,0,0,0,0|0,1,0]=3 678 B12R1.233 C[C@H](N)CC1=C(Cl)C=C(F)C=C1 N11062 [0,2,0,0,0,0|0,1,0]=3 679 B12R1.233 FC1=C(OC(F)F)C=CC(Cl)=C1 F18980 [0,2,0,0,0,0|2,0,0]=4 680 B12R1.233 FC1=CC(F)=C(OC(F)F)C=C1 F19079 [0,2,0,0,0,0|2,0,0]=4 681 B12R1.1123 CC1=CC(F)=C(CC#N)C=C1F 57260 [0,2,0,0,0,0|0,0,2]=4 682 B12R1.1123 CNCC1=CC(F)=C(F)C=C1F 36784 [0,2,0,0,0,0|2,0,0]=4 683 B12R1.1123 FC1=CC(F)=C(CCBr)C=C1F 39118 [0,2,0,0,0,0|1,0,0]=3 684 B12R1.1123 N#CCC1=CC(F)=C(Br)C=C1F AT12603 [0,2,0,0,0,0|0,0,2]=4 685 B12R1.1123 NCCC1=CC(O)=C(O)C=C1O D87854 [0,2,0,0,0,0|1,0,0]=3 686 B12R1.1703 C=C[C@H](N)C1=C(F)C=C(Br)C=C1 N15336 [0,2,0,0,0,0|1,0,1]=4 687 B12R1.1703 C=C[C@H](N)C1=C(F)C=C(Br)C=C1 N15337 [0,2,0,0,0,0|1,0,1]=4 688 B12R1.1703 C=C[C@H](N)C1=C(F)C=C(Br)C=C1 N15338 [0,2,0,0,0,0|1,0,1]=4 689 B12R1.1703 C=C[C@H](N)C1=C(F)C=C(C)C=C1 N15339 [0,2,0,0,0,0|1,0,1]=4 690 B12R1.1703 C=C[C@H](N)C1=C(F)C=C(C)C=C1 N15340 [0,2,0,0,0,0|1,0,1]=4 691 B12R1.1703 C=C[C@H](N)C1=C(F)C=C(C)C=C1 N15341 [0,2,0,0,0,0|1,0,1]=4 692 B12R1.1703 C=C[C@H](N)C1=C(F)C=C(Cl)C=C1 N15333 [0,2,0,0,0,0|1,0,1]=4 693 B12R1.1703 C=C[C@H](N)C1=C(F)C=C(Cl)C=C1 N15334 [0,2,0,0,0,0|1,0,1]=4 694 B12R1.1703 C=C[C@H](N)C1=C(F)C=C(Cl)C=C1 N15335 [0,2,0,0,0,0|1,0,1]=4 695 B12R1.1703 C=C[C@H](N)C1=C(F)C=C(F)C=C1 N15330 [0,2,0,0,0,0|1,0,1]=4 696 B12R1.1703 C=C[C@H](N)C1=C(F)C=C(F)C=C1 N15331 [0,2,0,0,0,0|1,0,1]=4 697 B12R1.1703 C=C[C@H](N)C1=C(F)C=C(F)C=C1 N15332 [0,2,0,0,0,0|1,0,1]=4 698 B12R1.1703 CC1=CC(C)=C([C@@H](N)CN)C=C1 N13753 [0,2,0,0,0,0|1,0,0]=3 699 B12R1.1703 CC1=CC(C)=C([C@@H](N)CN)C=C1 N13754 [0,2,0,0,0,0|1,0,0]=3 700 B12R1.1703 CC1=CC(C)=C([C@@H](N)CN)C=C1 N13755 [0,2,0,0,0,0|1,0,0]=3 701 B12R1.1703 CC1=CC(C)=C([C@@H](N)CN)C=C1 N13768 [0,2,0,0,0,0|1,0,0]=3 702 B12R1.1703 CC1=CC(C)=C([C@@H](N)CN)C=C1 N13769 [0,2,0,0,0,0|1,0,0]=3 703 B12R1.1703 CC1=CC(C)=C([C@@H](O)CN)C=C1 C77862 [0,2,0,0,0,0|1,0,0]=3 704 B12R1.1703 CC1=CC(Cl)=C([C@@H](N)CN)C=C1 N13631 [0,2,0,0,0,0|0,1,0]=3 705 B12R1.1703 CC1=CC(Cl)=C([C@@H](N)CN)C=C1 N13632 [0,2,0,0,0,0|0,1,0]=3 706 B12R1.1703 CC1=CC(Cl)=C([C@@H](N)CN)C=C1 N13633 [0,2,0,0,0,0|0,1,0]=3 707 B12R1.1703 CC1=CC(F)=C([C@@H](N)CN)C=C1 N13557 [0,2,0,0,0,0|0,0,0]=2 708 B12R1.1703 CC1=CC(F)=C([C@@H](N)CN)C=C1 N13558 [0,2,0,0,0,0|0,0,0]=2 709 B12R1.1703 CC1=CC(F)=C([C@@H](N)CN)C=C1 N13559 [0,2,0,0,0,0|0,0,0]=2 710 B12R1.1703 CCC(=O)C1=C(F)C=C(C)C=C1 N14029 [0,2,0,0,0,0|1,0,1]=4 711 B12R1.1703 CC[C@H](N)C1=C(C)C=C(C)C=C1 N12160 [0,2,0,0,0,0|2,0,0]=4 712 B12R1.1703 CC[C@H](N)C1=C(F)C=C(F)C=C1 N10945 [0,2,0,0,0,0|1,0,0]=3 713 B12R1.1703 CC[C@H](N)C1=C(F)C=C(F)C=C1 N11162 [0,2,0,0,0,0|1,0,0]=3 714 B12R1.1703 CC[C@H](N)C1=NC=C(Br)C=C1F N14396 [0,2,0,0,0,0|2,0,0]=4 715 B12R1.1703 CC[C@H](N)C1=NC=C(Br)C=C1F N14397 [0,2,0,0,0,0|2,0,0]=4 716 B12R1.1703 CC[C@H](N)C1=NC=C(Br)C=C1F N14398 [0,2,0,0,0,0|2,0,0]=4 717 B12R1.1703 CC[C@H](O)C1=C(C)C=C(C)C=C1 N14425 [0,2,0,0,0,0|2,0,0]=4 718 B12R1.1703 CC[C@H](O)C1=C(Cl)C=C(Cl)C=C1 N14422 [0,2,0,0,0,0|1,1,0]=4 719 B12R1.1703 CC[C@H](O)C1=C(F)C=C(Br)C=C1 97337 [0,2,0,0,0,0|1,0,0]=3 720 B12R1.1703 CC[C@H](O)C1=C(F)C=C(F)C=C1 N12683 [0,2,0,0,0,0|1,0,0]=3 721 B12R1.1703 CN[C@@H](C)C1=C(F)C=C(F)C=C1 N14215 [0,2,0,0,0,0|2,0,0]=4 722 B12R1.1703 CN[C@@H](C)C1=C(F)C=C(F)C=C1 N14216 [0,2,0,0,0,0|2,0,0]=4 723 B12R1.1703 N#C[C@@H](N)C1=C(F)C=C(F)C=C1 AT10486 [0,2,0,0,0,0|0,0,2]=4 724 B12R1.1703 NC[C@H](N)C1=C(Cl)C=C(Br)C=C1 N13628 [0,2,0,0,0,0|0,1,0]=3 725 B12R1.1703 NC[C@H](N)C1=C(Cl)C=C(Br)C=C1 N13629 [0,2,0,0,0,0|0,1,0]=3 726 B12R1.1703 NC[C@H](N)C1=C(Cl)C=C(Br)C=C1 N13630 [0,2,0,0,0,0|0,1,0]=3 727 B12R1.1703 NC[C@H](N)C1=C(Cl)C=C(Cl)C=C1 N13577 [0,2,0,0,0,0|0,1,0]=3 728 B12R1.1703 NC[C@H](N)C1=C(Cl)C=C(Cl)C=C1 N13578 [0,2,0,0,0,0|0,1,0]=3 729 B12R1.1703 NC[C@H](N)C1=C(Cl)C=C(Cl)C=C1 N13579 [0,2,0,0,0,0|0,1,0]=3 730 B12R1.1703 NC[C@H](N)C1=C(Cl)C=C(Cl)C=C1 N13580 [0,2,0,0,0,0|0,1,0]=3 731 B12R1.1703 NC[C@H](N)C1=C(Cl)C=C(F)C=C1 N13581 [0,2,0,0,0,0|0,1,0]=3 732 B12R1.1703 NC[C@H](N)C1=C(Cl)C=C(F)C=C1 N13582 [0,2,0,0,0,0|0,1,0]=3 733 B12R1.1703 NC[C@H](N)C1=C(Cl)C=C(F)C=C1 N13583 [0,2,0,0,0,0|0,1,0]=3 734 B12R1.1703 NC[C@H](N)C1=C(Cl)C=C(F)C=C1 N13585 [0,2,0,0,0,0|0,1,0]=3 735 B12R1.1703 NC[C@H](N)C1=C(Cl)C=C(F)C=C1 N13586 [0,2,0,0,0,0|0,1,0]=3 736 B12R1.1703 NC[C@H](N)C1=C(F)C=C(Br)C=C1 N13552 [0,2,0,0,0,0|0,0,0]=2 737 B12R1.1703 NC[C@H](N)C1=C(F)C=C(Br)C=C1 N13553 [0,2,0,0,0,0|0,0,0]=2 738 B12R1.1703 NC[C@H](N)C1=C(F)C=C(Br)C=C1 N13554 [0,2,0,0,0,0|0,0,0]=2 739 B12R1.1703 NC[C@H](N)C1=C(F)C=C(Br)C=C1 N13555 [0,2,0,0,0,0|0,0,0]=2 740 B12R1.1703 NC[C@H](N)C1=C(F)C=C(Br)C=C1 N13556 [0,2,0,0,0,0|0,0,0]=2 741 B12R1.1703 NC[C@H](N)C1=C(F)C=C(Cl)C=C1 N13549 [0,2,0,0,0,0|0,0,0]=2 742 B12R1.1703 NC[C@H](N)C1=C(F)C=C(Cl)C=C1 N13550 [0,2,0,0,0,0|0,0,0]=2 743 B12R1.1703 NC[C@H](N)C1=C(F)C=C(Cl)C=C1 N13551 [0,2,0,0,0,0|0,0,0]=2 744 B12R1.1703 NC[C@H](N)C1=C(F)C=C(F)C=C1 N13546 [0,2,0,0,0,0|0,0,0]=2 745 B12R1.1703 NC[C@H](N)C1=C(F)C=C(F)C=C1 N13547 [0,2,0,0,0,0|0,0,0]=2 746 B12R1.1703 NC[C@H](N)C1=C(F)C=C(F)C=C1 N13548 [0,2,0,0,0,0|0,0,0]=2 747 B12R1.1703 NC[C@H](O)C1=C(Cl)C=C(Cl)C=C1 C78542 [0,2,0,0,0,0|0,1,0]=3 748 B12R1.1703 NC[C@H](O)C1=C(F)C=C(F)C=C1 C78271 [0,2,0,0,0,0|0,0,0]=2 749 B12R1.1703 N[C@@H](CO)C1=C(Br)C=C(F)C=C1 AT10628 [0,2,0,0,0,0|1,1,0]=4 750 B12R1.1703 N[C@@H](CO)C1=C(Br)C=C(F)C=C1 AT10637 [0,2,0,0,0,0|1,1,0]=4 751 B12R1.1703 O=C(CO)C1=C(F)C=C(Br)C=C1 AC4523 [0,2,0,0,0,0|1,0,1]=4 752 B12R1.1703 O=C(CO)C1=C(F)C=C(F)C=C1 AC4317 [0,2,0,0,0,0|1,0,1]=4 753 B12R1.1703 O[C@@H](CBr)C1=C(Cl)C=C(Cl)C=C1 11639 [0,2,0,0,0,0|1,1,0]=4 754 B12R1.124 CC(=O)[C@H](N)C1=C(F)C=CC=C1 N15536 [0,2,0,0,0,0|1,0,1]=4 755 B12R1.124 CC(C)[C@H](N)C1=C(F)C=CC=C1 N13028 [0,2,0,0,0,0|1,0,0]=3 756 B12R1.124 CC(C)[C@H](N)C1=C(N)C=CC=C1 N13005 [0,2,0,0,0,0|2,0,0]=4 757 B12R1.124 CC(O)C(N)C1=C(Br)C=CC=C1 N15549 [0,2,0,0,0,0|1,1,0]=4 758 B12R1.124 CC(O)C(N)C1=C(Cl)C=CC=C1 N15543 [0,2,0,0,0,0|1,1,0]=4 759 B12R1.124 CC(O)C(N)C1=C(F)C=CC=C1 N15535 [0,2,0,0,0,0|1,0,0]=3 760 B12R1.124 CC(O)C(N)C1=C(O)C=CC=C1 N15626 [0,2,0,0,0,0|2,0,0]=4 761 B12R1.124 CC(O)[C@H](N)C1=C(Cl)C=CC=C1 N15541 [0,2,0,0,0,0|1,1,0]=4 762 B12R1.124 CC(O)[C@H](N)C1=C(F)C=CC=C1 N15534 [0,2,0,0,0,0|1,0,0]=3 763 B12R1.124 CC(O)[C@H](N)C1=C(O)C=CC=C1 N15627 [0,2,0,0,0,0|2,0,0]=4 764 B12R1.124 CC1=C(C(N)C(C)O)C=CC=C1 N15523 [0,2,0,0,0,0|2,0,0]=4 765 B12R1.124 CC1=C([C@@H](N)C(C)C)C=CC=C1 N12591 [0,2,0,0,0,0|2,0,0]=4 766 B12R1.124 CC1=C([C@@H](N)C(C)O)C=CC=C1 N15525 [0,2,0,0,0,0|2,0,0]=4 767 B12R1.124 CC1=C([C@@H](N)[C@@H](C)O)C=CC=C1 N15527 [0,2,0,0,0,0|2,0,0]=4 768 B12R1.124 CC1=C([C@@H](N)[C@@H](C)O)C=CC=C1 N15529 [0,2,0,0,0,0|2,0,0]=4 769 B12R1.124 CC1=C([C@@H](N)[C@H](C)O)C=CC=C1 N15526 [0,2,0,0,0,0|2,0,0]=4 770 B12R1.124 C[C@@H](O)[C@H](N)C1=C(Br)C=CC=C1 N15544 [0,2,0,0,0,0|1,1,0]=4 771 B12R1.124 C[C@@H](O)[C@H](N)C1=C(Br)C=CC=C1 N15546 [0,2,0,0,0,0|1,1,0]=4 772 B12R1.124 C[C@@H](O)[C@H](N)C1=C(Cl)C=CC=C1 N15537 [0,2,0,0,0,0|1,1,0]=4 773 B12R1.124 C[C@@H](O)[C@H](N)C1=C(Cl)C=CC=C1 N15539 [0,2,0,0,0,0|1,1,0]=4 774 B12R1.124 C[C@@H](O)[C@H](N)C1=C(F)C=CC=C1 N15530 [0,2,0,0,0,0|1,0,0]=3 775 B12R1.124 C[C@@H](O)[C@H](N)C1=C(F)C=CC=C1 N15532 [0,2,0,0,0,0|1,0,0]=3 776 B12R1.124 C[C@@H](O)[C@H](N)C1=C(N)C=CC=C1 N16152 [0,2,0,0,0,0|2,0,0]=4 777 B12R1.124 C[C@@H](O)[C@H](N)C1=C(N)C=CC=C1 N16154 [0,2,0,0,0,0|2,0,0]=4 778 B12R1.124 C[C@@H](O)[C@H](N)C1=C(O)C=CC=C1 N15629 [0,2,0,0,0,0|2,0,0]=4 779 B12R1.124 C[C@@H](O)[C@H](N)C1=C(O)C=CC=C1 N15631 [0,2,0,0,0,0|2,0,0]=4 780 B12R1.124 C[C@H](O)[C@H](N)C1=C(Br)C=CC=C1 N15548 [0,2,0,0,0,0|1,1,0]=4 781 B12R1.124 C[C@H](O)[C@H](N)C1=C(Cl)C=CC=C1 N15538 [0,2,0,0,0,0|1,1,0]=4 782 B12R1.124 C[C@H](O)[C@H](N)C1=C(F)C=CC=C1 N15531 [0,2,0,0,0,0|1,0,0]=3 783 B12R1.124 C[C@H](O)[C@H](N)C1=C(N)C=CC=C1 N16153 [0,2,0,0,0,0|2,0,0]=4 784 B12R1.124 C[C@H](O)[C@H](N)C1=C(O)C=CC=C1 N15628 [0,2,0,0,0,0|2,0,0]=4 785 B12R1.124 O=C(O)[C@H](F)C1=C(F)C=CC=C1 98563 [0,2,0,0,0,0|1,0,1]=4 786 B12R1.127 CN(C)CC1=C(F)C=CC(Br)=C1 N10241 [0,2,0,0,0,0|2,0,0]=4 787 B12R1.127 C[C@H](N)CC1=C(F)C=CC(F)=C1 N11067 [0,2,0,0,0,0|0,0,0]=2 788 B12R1.127 FC1=C(OC(F)F)C=C(Cl)C=C1 F18977 [0,2,0,0,0,0|2,0,0]=4 789 B12R1.127 FC1=CC(OC(F)F)=C(F)C=C1 F17634 [0,2,0,0,0,0|2,0,0]=4 790 B12R1.127 NC(=O)CC1=C(Br)C=CC(Cl)=C1 AT11065 [0,2,0,0,0,0|0,1,1]=4 791 B12R1.127 NC(=O)CC1=C(F)C=CC(Br)=C1 92705 [0,2,0,0,0,0|0,0,1]=3 792 B12R1.127 NC1=CC(OC(F)F)=C(F)C=C1 98237 [0,2,0,0,0,0|2,0,0]=4 793 B12R1.151 C[S@](=N)(=O)CC1=C(F)C=CC=C1 E71970 [0,2,0,0,0,0|1,0,1]=4 794 B12R1.151 FC1=C(SC(F)(F)F)C=CC=C1 F53605 [0,2,0,0,0,0|2,0,0]=4 795 B12R1.151 NS(=O)(=O)CC1=C(F)C=CC=C1 C90226 [0,2,0,0,0,0|1,0,0]=3 796 B12R1.151 O=S(=O)([O-])CC1=C(F)C=CC=C1 F53357 [0,2,0,0,0,0|2,0,0]=4 797 B12R1.1009 CC1=CC=CC(F)=C1OC(F)F F19088 [0,2,0,0,0,0|2,0,0]=4 798 B12R1.1009 C[C@H](N)CC1=C(Cl)C=CC=C1Cl N11065 [0,2,0,0,0,0|0,1,0]=3 799 B12R1.1009 FC1=CC=CC(Br)=C1OC(F)F F18845 [0,2,0,0,0,0|2,0,0]=4 800 B12R1.1009 FC1=CC=CC(Cl)=C1OC(F)F F19098 [0,2,0,0,0,0|2,0,0]=4 801 B12R1.1009 FC1=CC=CC(F)=C1OC(F)F F18974 [0,2,0,0,0,0|2,0,0]=4 802 B12R1.1009 FC1=CC=CC(I)=C1OC(F)F F19046 [0,2,0,0,0,0|2,0,0]=4 803 B12R1.270 CCCC1=C(Br)C=CC(C=O)=C1 97132 [0,2,0,0,0,0|1,1,0]=4 804 B12R1.354 C=C[C@H](N)C1=C(F)C=CC(Cl)=C1 N15348 [0,2,0,0,0,0|1,0,1]=4 805 B12R1.354 C=C[C@H](N)C1=C(F)C=CC(Cl)=C1 N15349 [0,2,0,0,0,0|1,0,1]=4 806 B12R1.354 C=C[C@H](N)C1=C(F)C=CC(Cl)=C1 N15350 [0,2,0,0,0,0|1,0,1]=4 807 B12R1.354 C=C[C@H](N)C1=C(F)C=CC(F)=C1 N15345 [0,2,0,0,0,0|1,0,1]=4 808 B12R1.354 C=C[C@H](N)C1=C(F)C=CC(F)=C1 N15346 [0,2,0,0,0,0|1,0,1]=4 809 B12R1.354 C=C[C@H](N)C1=C(F)C=CC(F)=C1 N15347 [0,2,0,0,0,0|1,0,1]=4 810 B12R1.354 CC1=CC([C@@H](N)CN)=C(C)C=C1 N13759 [0,2,0,0,0,0|1,0,0]=3 811 B12R1.354 CC1=CC([C@@H](N)CN)=C(C)C=C1 N13760 [0,2,0,0,0,0|1,0,0]=3 812 B12R1.354 CC1=CC([C@@H](N)CN)=C(C)C=C1 N13761 [0,2,0,0,0,0|1,0,0]=3 813 B12R1.354 CC1=CC([C@@H](N)CN)=C(C)C=C1 N13765 [0,2,0,0,0,0|1,0,0]=3 814 B12R1.354 CC1=CC([C@@H](N)CN)=C(C)C=C1 N13766 [0,2,0,0,0,0|1,0,0]=3 815 B12R1.354 CC1=CC([C@@H](N)CN)=C(C)C=C1 N13767 [0,2,0,0,0,0|1,0,0]=3 816 B12R1.354 CC1=CC([C@@H](N)CN)=C(Cl)C=C1 N13640 [0,2,0,0,0,0|0,1,0]=3 817 B12R1.354 CC1=CC([C@@H](N)CN)=C(Cl)C=C1 N13641 [0,2,0,0,0,0|0,1,0]=3 818 B12R1.354 CC1=CC([C@@H](N)CN)=C(Cl)C=C1 N13642 [0,2,0,0,0,0|0,1,0]=3 819 B12R1.354 CC1=CC([C@@H](N)CN)=C(F)C=C1 N13595 [0,2,0,0,0,0|0,0,0]=2 820 B12R1.354 CC1=CC([C@@H](N)CN)=C(F)C=C1 N13596 [0,2,0,0,0,0|0,0,0]=2 821 B12R1.354 CC1=CC([C@@H](N)CN)=C(F)C=C1 N13597 [0,2,0,0,0,0|0,0,0]=2 822 B12R1.354 CCC(=O)C1=C(F)C=CC(C)=C1 N14035 [0,2,0,0,0,0|1,0,1]=4 823 B12R1.354 CCC(=O)C1=C(F)C=CC(Cl)=C1 N14033 [0,2,0,0,0,0|1,0,1]=4 824 B12R1.354 CC[C@H](N)C1=C(F)C=CC(F)=C1 N11165 [0,2,0,0,0,0|1,0,0]=3 825 B12R1.354 CC[C@H](N)C1=C(F)C=CC(F)=C1 N12908 [0,2,0,0,0,0|1,0,0]=3 826 B12R1.354 CC[C@H](N)C1=C(O)C=CC(C)=C1 N14793 [0,2,0,0,0,0|2,0,0]=4 827 B12R1.354 CC[C@H](O)C1=C(C)C=CC(C)=C1 N14426 [0,2,0,0,0,0|2,0,0]=4 828 B12R1.354 CC[C@H](O)C1=C(F)C=CC(F)=C1 N14418 [0,2,0,0,0,0|1,0,0]=3 829 B12R1.354 NCC(=O)C1=C(F)C=CC(F)=C1 O10640 [0,2,0,0,0,0|0,0,1]=3 830 B12R1.354 NC[C@H](N)C1=C(Cl)C=CC(Br)=C1 N13699 [0,2,0,0,0,0|0,1,0]=3 831 B12R1.354 NC[C@H](N)C1=C(Cl)C=CC(Br)=C1 N13700 [0,2,0,0,0,0|0,1,0]=3 832 B12R1.354 NC[C@H](N)C1=C(Cl)C=CC(Br)=C1 N13701 [0,2,0,0,0,0|0,1,0]=3 833 B12R1.354 NC[C@H](N)C1=C(Cl)C=CC(Cl)=C1 N13696 [0,2,0,0,0,0|0,1,0]=3 834 B12R1.354 NC[C@H](N)C1=C(Cl)C=CC(Cl)=C1 N13697 [0,2,0,0,0,0|0,1,0]=3 835 B12R1.354 NC[C@H](N)C1=C(Cl)C=CC(Cl)=C1 N13698 [0,2,0,0,0,0|0,1,0]=3 836 B12R1.354 NC[C@H](N)C1=C(F)C=CC(Br)=C1 N13593 [0,2,0,0,0,0|0,0,0]=2 837 B12R1.354 NC[C@H](N)C1=C(F)C=CC(Br)=C1 N13594 [0,2,0,0,0,0|0,0,0]=2 838 B12R1.354 NC[C@H](N)C1=C(F)C=CC(Cl)=C1 N13590 [0,2,0,0,0,0|0,0,0]=2 839 B12R1.354 NC[C@H](N)C1=C(F)C=CC(Cl)=C1 N13591 [0,2,0,0,0,0|0,0,0]=2 840 B12R1.354 NC[C@H](N)C1=C(F)C=CC(Cl)=C1 N13592 [0,2,0,0,0,0|0,0,0]=2 841 B12R1.354 NC[C@H](N)C1=C(F)C=CC(F)=C1 N13584 [0,2,0,0,0,0|0,0,0]=2 842 B12R1.354 NC[C@H](N)C1=C(F)C=CC(F)=C1 N13587 [0,2,0,0,0,0|0,0,0]=2 843 B12R1.354 NC[C@H](N)C1=C(F)C=CC(F)=C1 N13588 [0,2,0,0,0,0|0,0,0]=2 844 B12R1.354 NC[C@H](N)C1=C(F)C=CC(F)=C1 N13589 [0,2,0,0,0,0|0,0,0]=2 845 B12R1.354 NC[C@H](O)C1=C(F)C=CC(F)=C1 C77859 [0,2,0,0,0,0|0,0,0]=2 846 B12R1.354 NNC(=S)C1=C(F)C=CC(F)=C1 W10670 [0,2,0,0,0,0|1,0,1]=4 847 B12R1.354 N[C@@H](CO)C1=C(F)C=CC(F)=C1 N12983 [0,2,0,0,0,0|1,0,0]=3 848 B12R1.354 O=C(CO)C1=C(F)C=CC(Br)=C1 AC4482 [0,2,0,0,0,0|1,0,1]=4 849 B12R1.354 O=C(CO)C1=C(F)C=CC(F)=C1 AC7306 [0,2,0,0,0,0|1,0,1]=4 850 B12R1.195 C[C@](N)(CO)C1=C(Cl)C=CC=C1 96073 [0,2,0,0,0,0|1,1,0]=4 851 B12R1.195 OCC(F)(F)C1=C(F)C=CC=C1 AC4058 [0,2,0,0,0,0|1,0,0]=3 852 B12R1.243 CN[C@@H](CO)C1=C(C)C=CC=C1 N12799 [0,2,0,0,0,0|2,0,0]=4 853 B12R1.3441 C=C[C@H](N)C1=C(Br)C=CC=C1F N15363 [0,2,0,0,0,0|1,0,1]=4 854 B12R1.3441 C=C[C@H](N)C1=C(Br)C=CC=C1F N15364 [0,2,0,0,0,0|1,0,1]=4 855 B12R1.3441 C=C[C@H](N)C1=C(Br)C=CC=C1F N15365 [0,2,0,0,0,0|1,0,1]=4 856 B12R1.3441 C=C[C@H](N)C1=C(Cl)C=CC=C1F N15360 [0,2,0,0,0,0|1,0,1]=4 857 B12R1.3441 C=C[C@H](N)C1=C(Cl)C=CC=C1F N15361 [0,2,0,0,0,0|1,0,1]=4 858 B12R1.3441 C=C[C@H](N)C1=C(Cl)C=CC=C1F N15362 [0,2,0,0,0,0|1,0,1]=4 859 B12R1.3441 C=C[C@H](N)C1=C(F)C=CC=C1F N15357 [0,2,0,0,0,0|1,0,1]=4 860 B12R1.3441 C=C[C@H](N)C1=C(F)C=CC=C1F N15358 [0,2,0,0,0,0|1,0,1]=4 861 B12R1.3441 C=C[C@H](N)C1=C(F)C=CC=C1F N15359 [0,2,0,0,0,0|1,0,1]=4 862 B12R1.3441 CC1=CC=CC(C)=C1[C@@H](N)CN N13772 [0,2,0,0,0,0|1,0,0]=3 863 B12R1.3441 CC1=CC=CC(C)=C1[C@@H](N)CN N13773 [0,2,0,0,0,0|1,0,0]=3 864 B12R1.3441 CC1=CC=CC(C)=C1[C@@H](N)CN N13774 [0,2,0,0,0,0|1,0,0]=3 865 B12R1.3441 CC1=CC=CC(C)=C1[C@@H](N)CN N13775 [0,2,0,0,0,0|1,0,0]=3 866 B12R1.3441 CC1=CC=CC(C)=C1[C@@H](N)CN N13776 [0,2,0,0,0,0|1,0,0]=3 867 B12R1.3441 CC1=CC=CC(F)=C1[C@@H](N)CN N13617 [0,2,0,0,0,0|0,0,0]=2 868 B12R1.3441 CC1=CC=CC(F)=C1[C@@H](N)CN N13618 [0,2,0,0,0,0|0,0,0]=2 869 B12R1.3441 CC1=CC=CC(F)=C1[C@@H](N)CN N13619 [0,2,0,0,0,0|0,0,0]=2 870 B12R1.3441 CCC(=O)C1=C(Br)C=CC=C1F N14041 [0,2,0,0,0,0|1,0,1]=4 871 B12R1.3441 CCC(=O)C1=C(Cl)C=CC=C1F N12941 [0,2,0,0,0,0|1,0,1]=4 872 B12R1.3441 CCC(=O)C1=C(F)C=CC=C1C N14043 [0,2,0,0,0,0|1,0,1]=4 873 B12R1.3441 CC[C@H](N)C1=C(F)C=CC=C1F E71897 [0,2,0,0,0,0|1,0,0]=3 874 B12R1.3441 CC[C@H](O)C1=C(C)C=CC=C1C N14427 [0,2,0,0,0,0|2,0,0]=4 875 B12R1.3441 CC[C@H](O)C1=C(Cl)C=CC=C1Cl N12880 [0,2,0,0,0,0|1,1,0]=4 876 B12R1.3441 CC[C@H](O)C1=C(F)C=CC=C1F N14419 [0,2,0,0,0,0|1,0,0]=3 877 B12R1.3441 NC[C@H](N)C1=C(Br)C=CC=C1F N13614 [0,2,0,0,0,0|0,0,0]=2 878 B12R1.3441 NC[C@H](N)C1=C(Br)C=CC=C1F N13615 [0,2,0,0,0,0|0,0,0]=2 879 B12R1.3441 NC[C@H](N)C1=C(Br)C=CC=C1F N13616 [0,2,0,0,0,0|0,0,0]=2 880 B12R1.3441 NC[C@H](N)C1=C(Br)C=NC=C1Br N14948 [0,2,0,0,0,0|1,1,0]=4 881 B12R1.3441 NC[C@H](N)C1=C(Cl)C=CC=C1Cl N13647 [0,2,0,0,0,0|0,1,0]=3 882 B12R1.3441 NC[C@H](N)C1=C(Cl)C=CC=C1Cl N13649 [0,2,0,0,0,0|0,1,0]=3 883 B12R1.3441 NC[C@H](N)C1=C(Cl)C=CC=C1Cl N13650 [0,2,0,0,0,0|0,1,0]=3 884 B12R1.3441 NC[C@H](N)C1=C(Cl)C=CC=C1Cl N13651 [0,2,0,0,0,0|0,1,0]=3 885 B12R1.3441 NC[C@H](N)C1=C(Cl)C=CC=C1F N13609 [0,2,0,0,0,0|0,0,0]=2 886 B12R1.3441 NC[C@H](N)C1=C(Cl)C=CC=C1F N13610 [0,2,0,0,0,0|0,0,0]=2 887 B12R1.3441 NC[C@H](N)C1=C(Cl)C=CC=C1F N13611 [0,2,0,0,0,0|0,0,0]=2 888 B12R1.3441 NC[C@H](N)C1=C(Cl)C=CC=C1F N13612 [0,2,0,0,0,0|0,0,0]=2 889 B12R1.3441 NC[C@H](N)C1=C(Cl)C=CC=C1F N13613 [0,2,0,0,0,0|0,0,0]=2 890 B12R1.3441 NC[C@H](N)C1=C(F)C=CC=C1F N12940 [0,2,0,0,0,0|0,0,0]=2 891 B12R1.3441 NC[C@H](N)C1=C(F)C=CC=C1F N13604 [0,2,0,0,0,0|0,0,0]=2 892 B12R1.3441 NC[C@H](N)C1=C(F)C=CC=C1F N13607 [0,2,0,0,0,0|0,0,0]=2 893 B12R1.3441 NC[C@H](N)C1=C(F)C=CC=C1F N13608 [0,2,0,0,0,0|0,0,0]=2 894 B12R1.3441 O=C(CO)C1=C(Cl)C=CC=C1F AC4000 [0,2,0,0,0,0|1,0,1]=4 895 B10R2.6 C1=CC(C2CC2)=CC=N1 59829 [1,0,0,1,0,0|2,0,0]=4 896 B10R2.7 C1=CC2=C(C=C1)SCO2 76474 [1,0,0,1,0,0|2,0,0]=4 897 B10R2.7 C1=CC2=C(C=C1)SCS2 D71935 [1,0,0,1,0,0|2,0,0]=4 898 B10R2.7 C1=CN=C2NCCC2=C1 C13729 [1,0,0,1,0,0|1,0,0]=3 899 B10R2.7 C1=CN=C2NCCC2=N1 P20982 [1,0,0,1,0,0|2,0,0]=4 900 B10R2.7 C1=NC=C2CCNC2=N1 93647 [1,0,0,1,0,0|2,0,0]=4 901 B10R2.7 C1=NC=C2CCNC2=N1 C90715 [1,0,0,1,0,0|2,0,0]=4 902 B10R2.320 N[C@H]1CC2=C1C=CC=C2 AT20398 [1,0,0,1,0,0|0,0,0]=2 903 B12R2.81 FC1=C(Cl)C=CC=C1C2CC2 AC9620 [0,1,0,1,0,0|1,0,0]=3 904 B12R2.82 FC1=C(Br)C=CC2=C1N=CN2 90408 [0,1,0,1,0,0|1,0,1]=4 905 B12R2.82 NC1=C(Br)C=CC2=C1CCC2 AT13423 [0,1,0,1,0,0|2,0,0]=4 906 B12R2.82 NC1=C(Br)C=CC2=C1CCC2 E72233 [0,1,0,1,0,0|2,0,0]=4 907 B12R2.202 NC1=NC2=C(F)C=CC=C2O1 AC4839 [0,1,0,1,0,0|1,0,1]=4 908 B12R2.202 NC1=NC2=CC=CC(F)=C2O1 P12618 [0,1,0,1,0,0|1,0,1]=4 909 B12R2.1081 BrC1=C2OCCNC2=CC=C1 D96169 [0,1,0,1,0,0|0,1,0]=3 910 B12R2.1081 BrC1=C2SCCNC2=CC=C1 69222 [0,1,0,1,0,0|0,1,0]=3 911 B12R2.1081 C=C1CCCC2=C1C=CC=C2 D87874 [0,1,0,1,0,0|2,0,0]=4 912 B12R2.1081 CC1=CC=CC2=C1CCOC2 N14603 [0,1,0,1,0,0|2,0,0]=4 913 B12R2.1081 CC1=CC=CC2=C1NCCO2 AC7135 [0,1,0,1,0,0|2,0,0]=4 914 B12R2.1081 CC1=CC=CC2=C1OCCO2 AC8962 [0,1,0,1,0,0|2,0,0]=4 915 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 71815 [0,1,0,1,0,0|1,0,0]=3 916 B12R2.1081 ClC1=C2CCCNC2=CC=C1 N14207 [0,1,0,1,0,0|0,1,0]=3 917 B12R2.1081 ClC1=C2CCNCC2=CC=C1 24212 [0,1,0,1,0,0|0,1,0]=3 918 B12R2.1081 ClC1=C2CCOCC2=CC=C1 N14602 [0,1,0,1,0,0|1,1,0]=4 919 B12R2.1081 ClC1=C2NCCSC2=CC=C1 72679 [0,1,0,1,0,0|1,1,0]=4 920 B12R2.1081 ClC1=C2SCCNC2=CC=C1 72678 [0,1,0,1,0,0|0,1,0]=3 921 B12R2.1081 ClC1=NC=CC2=C1CCNC2 F53692 [0,1,0,1,0,0|1,1,0]=4 922 B12R2.1081 Cl[C@H]1CCCC2=C1C=CC=C2 A11734 [0,1,0,1,0,0|1,1,0]=4 923 B12R2.1081 FC1=C2CCOCC2=CC=C1 N14601 [0,1,0,1,0,0|1,0,0]=3 924 B12R2.1081 FC1=C2NCCOC2=CC=C1 90425 [0,1,0,1,0,0|1,0,0]=3 925 B12R2.1081 NC1=C2CNCCC2=CC=C1 C10171 [0,1,0,1,0,0|1,0,0]=3 926 B12R2.1081 NC1=CC=CC2=C1NCCO2 80851 [0,1,0,1,0,0|2,0,0]=4 927 B12R2.1081 N[C@H]1CSCC2=C1C=CC=C2 SC2891 [0,1,0,1,0,0|2,0,0]=4 928 B12R2.1081 O=C1CNCC2=C1C=CC=C2 F12400 [0,1,0,1,0,0|1,0,1]=4 929 B12R2.1081 O=C1NCCC2=C1C=CN=C2 D84896 [0,1,0,1,0,0|2,0,0]=4 930 B12R2.1081 OC1=C2CCNCC2=CC=C1 20736 [0,1,0,1,0,0|1,0,0]=3 931 B12R2.1081 OC1=C2CNCCC2=CC=C1 AT24057 [0,1,0,1,0,0|1,0,0]=3 932 B12R2.1081 OC1=C2CNCCC2=CC=C1 C15586 [0,1,0,1,0,0|1,0,0]=3 933 B12R2.1081 OC1=C2OCCCC2=CC=C1 76490 [0,1,0,1,0,0|2,0,0]=4 934 B12R2.1081 OC1=CC=NC2=C1OCCN2 F52364 [0,1,0,1,0,0|2,0,0]=4 935 B12R2.1081 OC1=NC=CC2=C1CNCC2 F53632 [0,1,0,1,0,0|2,0,0]=4 936 B12R2.1081 O[C@H]1CNCC2=C1C=CC=C2 95583 [0,1,0,1,0,0|1,0,0]=3 937 B12R2.1081 O[C@H]1CNCC2=C1C=CC=C2 F13197 [0,1,0,1,0,0|1,0,0]=3 938 B12R2.24 BrC1=CC2=C(C=C1)CCN=C2 AT22654 [0,1,0,1,0,0|1,0,1]=4 939 B12R2.24 BrC1=NC2=C(C=C1)CNCC2 C13599 [0,1,0,1,0,0|2,0,0]=4 940 B12R2.24 Br[C@H]1CCC2=C(C=CC=C2)C1 F13406 [0,1,0,1,0,0|2,0,0]=4 941 B12R2.24 CC1=CC2=C(C=C1)CNCC2 C15799 [0,1,0,1,0,0|1,0,0]=3 942 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)C1 F50994 [0,1,0,1,0,0|2,0,0]=4 943 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 12711 [0,1,0,1,0,0|1,0,0]=3 944 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 C74526 [0,1,0,1,0,0|1,0,0]=3 945 B12R2.24 C[C@H]1CSC2=C(C=CC=C2)N1 W10084 [0,1,0,1,0,0|2,0,0]=4 946 B12R2.24 ClC1=CC2=C(C=C1)CCCC2 Y10725 [0,1,0,1,0,0|2,0,0]=4 947 B12R2.24 ClC1=CC2=C(C=C1)COCC2 N14606 [0,1,0,1,0,0|2,0,0]=4 948 B12R2.24 ClC1=CN=C2CCNCC2=C1 D87527 [0,1,0,1,0,0|2,0,0]=4 949 B12R2.24 FC1=CC2=C(C=C1)CCNC2 76409 [0,1,0,1,0,0|1,0,0]=3 950 B12R2.24 FC1=CC2=C(C=C1)COCC2 N14605 [0,1,0,1,0,0|2,0,0]=4 951 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 F20762 [0,1,0,1,0,0|1,0,0]=3 952 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F13193 [0,1,0,1,0,0|1,0,0]=3 953 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F18883 [0,1,0,1,0,0|1,0,0]=3 954 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F18889 [0,1,0,1,0,0|1,0,0]=3 955 B12R2.32 CNC1CC2=C(C=CC=C2)C1 D86972 [0,1,0,1,0,0|1,0,0]=3 956 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 AC1020 [0,1,0,1,0,0|1,0,1]=4 957 B12R2.32 NCC1=NC2=C(C=CC=C2)O1 20190 [0,1,0,1,0,0|1,0,1]=4 958 B12R2.196 CC1=C2OC[C@H](N)C2=CC=C1 N11245 [0,1,0,1,0,0|1,0,0]=3 959 B12R2.196 CC1=C2OC[C@H](N)C2=CC=C1 N16519 [0,1,0,1,0,0|1,0,0]=3 960 B12R2.196 CC1=C2OC[C@H](N)C2=CC=C1 N16520 [0,1,0,1,0,0|1,0,0]=3 961 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N N10987 [0,1,0,1,0,0|1,0,0]=3 962 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N N10988 [0,1,0,1,0,0|1,0,0]=3 963 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N N10989 [0,1,0,1,0,0|1,0,0]=3 964 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N N12838 [0,1,0,1,0,0|1,0,0]=3 965 B12R2.196 CN1CCC2=C(Br)C=CN=C21 F12668 [0,1,0,1,0,0|1,1,0]=4 966 B12R2.196 CN1CCC2=C1C=CC=C2N AC8036 [0,1,0,1,0,0|1,0,0]=3 967 B12R2.196 NC1=NOC2=C(F)C=CC=C12 AT10505 [0,1,0,1,0,0|1,0,1]=4 968 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 Y11667 [0,1,0,1,0,0|0,1,0]=3 969 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 F16929 [0,1,0,1,0,0|0,0,0]=2 970 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 N10489 [0,1,0,1,0,0|0,0,0]=2 971 B12R2.196 N[C@H]1COC2=C(Br)C=CC=C21 F16955 [0,1,0,1,0,0|0,1,0]=3 972 B12R2.196 N[C@H]1COC2=C(Br)C=CC=C21 F17000 [0,1,0,1,0,0|0,1,0]=3 973 B12R2.196 N[C@H]1COC2=C(Cl)C=CC=C21 59816 [0,1,0,1,0,0|0,1,0]=3 974 B12R2.196 N[C@H]1COC2=C(Cl)C=CC=C21 F16958 [0,1,0,1,0,0|0,1,0]=3 975 B12R2.196 N[C@H]1COC2=C(F)C=CC=C21 D81329 [0,1,0,1,0,0|0,0,0]=2 976 B12R2.225 BrC1=C(NC2CC2)C=CC=C1 AT17125 [0,1,0,1,0,0|1,1,0]=4 977 B12R2.225 BrC1=C(SC2CC2)C=CC=C1 AT20841 [0,1,0,1,0,0|1,1,0]=4 978 B12R2.225 FC1=C(OC2CC2)C=CC=C1 AT21296 [0,1,0,1,0,0|1,0,0]=3 979 B12R2.225 IC1=C(OC2CC2)C=CC=C1 F53780 [0,1,0,1,0,0|1,1,0]=4 980 B12R2.517 BrC1=C(C2CNC2)C=CC=C1 85614 [0,1,0,1,0,0|0,1,0]=3 981 B12R2.517 FC1=C(C2CNC2)C=CC=C1 85610 [0,1,0,1,0,0|0,0,0]=2 982 B12R2.1 NCC1=CNC2=C1C=CC=C2 C80078 [0,1,0,1,0,0|1,0,1]=4 983 B12R2.1 NCC1=COC2=C1C=CC=C2 AC4652 [0,1,0,1,0,0|1,0,1]=4 984 B12R2.1 NC[C@H]1CCC2=C1C=CC=C2 20176 [0,1,0,1,0,0|1,0,0]=3 985 B12R2.1 NC[C@H]1CCC2=CC=CN=C21 C77541 [0,1,0,1,0,0|2,0,0]=4 986 B12R2.1 NC[C@H]1CNC2=C1C=CC=C2 AC7339 [0,1,0,1,0,0|1,0,0]=3 987 B12R2.1 OC[C@H]1CCC2=C1C=CC=C2 AC3163 [0,1,0,1,0,0|2,0,0]=4 988 B12R2.18 N[C@H]1CC2=C(C=CC=C2)C1=O 66097 [0,1,0,1,0,0|1,0,0]=3 989 B12R2.315 COC1=C2CCCC2=CC=C1 C15321 [0,1,0,1,0,0|2,0,0]=4 990 B12R2.315 N#CC1=C2CCCC2=CC=C1 AT17195 [0,1,0,1,0,0|2,0,0]=4 991 B12R2.315 NCC1=CC=CC2=C1CCN2 F17823 [0,1,0,1,0,0|1,0,0]=3 992 B12R2.315 O=CC1=C2CCCC2=CC=C1 N10682 [0,1,0,1,0,0|2,0,0]=4 993 B12R2.315 O=CC1=C2CCCC2=CC=C1 Y10694 [0,1,0,1,0,0|2,0,0]=4 994 B12R2.2048 COC1=C(C2CC2)C=CC=C1 AC8615 [0,1,0,1,0,0|2,0,0]=4 995 B12R2.2048 NCC1=C(C2CC2)C=CC=C1 26242 [0,1,0,1,0,0|2,0,0]=4 996 B12R2.2048 SCC1=C(C2CC2)C=CC=C1 AT13698 [0,1,0,1,0,0|2,0,0]=4 997 B12R2.246 FC1=C2CNCC2=CC(Br)=C1 D82655 [0,1,0,1,0,0|2,0,0]=4 998 B12R2.246 FC1=CC(F)=C2CCNC2=C1 88121 [0,1,0,1,0,0|0,0,0]=2 999 B12R2.246 FC1=CC(F)=C2OCCC2=C1 H10353 [0,1,0,1,0,0|2,0,0]=4 1000 B12R2.606 NC1=CC2=C(C=C1)C[C@H](O)C2 94670 [0,1,0,1,0,0|2,0,0]=4 1001 B12R2.606 N[C@H]1CC2=C(C=C(Cl)C=C2)C1 C16302 [0,1,0,1,0,0|1,0,0]=3 1002 B12R2.606 N[C@H]1CC2=C(C=C(F)C=C2)C1 Y10225 [0,1,0,1,0,0|1,0,0]=3 1003 B12R2.606 N[C@H]1CC2=C(C=C(I)C=C2)C1 25202 [0,1,0,1,0,0|1,0,0]=3 1004 B12R2.606 N[C@H]1CC2=C(C=C(I)C=C2)C1 36607 [0,1,0,1,0,0|1,0,0]=3 1005 B12R2.606 OC1=CC2=C(C=C1)C[C@H](O)C2 F53501 [0,1,0,1,0,0|2,0,0]=4 1006 B12R2.1317 CC1=CC(C)=C(C2CC2)C=C1 AC9569 [0,1,0,1,0,0|2,0,0]=4 1007 B12R2.1317 FC1=CC(F)=C(C2CC2)C=C1 AC9452 [0,1,0,1,0,0|1,0,0]=3 1008 B12R2.1317 NC1=C(C2CC2)C=CC(Cl)=C1 AC9037 [0,1,0,1,0,0|2,0,0]=4 1009 B12R2.221 FC1=C2C=NNC2=C(F)C=C1 I11408 [0,1,0,1,0,0|1,0,1]=4 1010 B12R2.221 NC1=C2CCCC2=C(Br)C=C1 93743 [0,1,0,1,0,0|1,1,0]=4 1011 B12R2.221 OC1=C2CCCC2=C(Br)C=C1 AT25822 [0,1,0,1,0,0|1,1,0]=4 1012 B12R2.221 OC1=C2CCCC2=C(F)C=C1 N14302 [0,1,0,1,0,0|1,0,0]=3 1013 B12R2.1316 CC1=C(C2CC2)C=C(N)C=C1 AC9568 [0,1,0,1,0,0|2,0,0]=4 1014 B12R2.1316 CC1=CC(C2CC2)=C(C)C=C1 AC9678 [0,1,0,1,0,0|2,0,0]=4 1015 B12R2.1316 FC1=C(C2CC2)C=C(Cl)C=C1 AC8512 [0,1,0,1,0,0|1,0,0]=3 1016 B12R2.1316 NC1=C(C2CC2)C=C(F)C=C1 AC3387 [0,1,0,1,0,0|2,0,0]=4 1017 B12R2.1316 OC1=C(C2CC2)C=C(Br)C=C1 97770 [0,1,0,1,0,0|2,0,0]=4 1018 B12R2.88 C[C@@]1(C2=C(Cl)C=CC=C2)CO1 C11096 [0,1,0,1,0,0|1,1,0]=4 1019 B12R2.88 NC1(C2=C(Cl)C=CC=C2)CC1 28118 [0,1,0,1,0,0|1,1,0]=4 1020 B12R2.88 NC1(C2=C(Cl)C=CC=C2)CC1 32750 [0,1,0,1,0,0|1,1,0]=4 1021 B12R2.88 OC1(C2=C(Br)C=CC=C2)CC1 AT23530 [0,1,0,1,0,0|1,1,0]=4 1022 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 Y12096 [0,1,0,1,0,0|1,0,0]=3 1023 B12R2.203 N[C@H]1COC2=CC=CC(Br)=C21 N11252 [0,1,0,1,0,0|1,1,0]=4 1024 B12R2.203 N[C@H]1COC2=CC=CC(Br)=C21 N11253 [0,1,0,1,0,0|1,1,0]=4 1025 B12R2.203 N[C@H]1COC2=CC=CC(Cl)=C21 N11259 [0,1,0,1,0,0|1,1,0]=4 1026 B12R2.203 N[C@H]1COC2=CC=CC(Cl)=C21 N16516 [0,1,0,1,0,0|1,1,0]=4 1027 B12R2.203 O[C@H]1CSC2=CC=CC(Br)=C21 D76237 [0,1,0,1,0,0|1,1,0]=4 1028 B12R2.240 CC1=CC=CC(C)=C1C2CC2 AC8319 [0,1,0,1,0,0|2,0,0]=4 1029 B12R2.240 ClC1=CC=CC(Cl)=C1C2CC2 AC8509 [0,1,0,1,0,0|1,1,0]=4 1030 B12R2.240 FC1=CN=CC(Br)=C1C2CC2 81975 [0,1,0,1,0,0|2,0,0]=4 1031 B12R3.12 C1=CC2=C(C=C1)C3OC3C2 F51253 [0,0,0,2,0,0|2,0,0]=4 1032 B8R1.8 BrCCC1=CC=CS1 F20027 [1,0,0,0,1,0|2,0,0]=4 1033 B8R1.8 NCCC1=CN=CN1 S10979 [1,0,0,0,1,0|2,0,0]=4 1034 B8R1.8 NCCC1=CNN=C1 AC1363 [1,0,0,0,1,0|2,0,0]=4 1035 B8R1.8 NCCC1=CNN=C1 D85886 [1,0,0,0,1,0|2,0,0]=4 1036 B8R1.8 NCCC1=COC=N1 AT18667 [1,0,0,0,1,0|2,0,0]=4 1037 B8R1.8 NCCC1=NC=CS1 F51904 [1,0,0,0,1,0|2,0,0]=4 1038 B8R1.8 NCCC1=NNC=C1 AC2815 [1,0,0,0,1,0|2,0,0]=4 1039 B8R1.8 NCCN1C=CC=N1 AT10968 [1,0,0,0,1,0|2,0,0]=4 1040 B8R1.8 NNCC1=CC=CS1 P10519 [1,0,0,0,1,0|2,0,0]=4 1041 B8R1.8 NNCC1=CSC=C1 P10771 [1,0,0,0,1,0|2,0,0]=4 1042 B8R1.11 CC1=C(CN)C=CO1 AT17524 [1,0,0,0,1,0|2,0,0]=4 1043 B8R1.11 CC1=C(CN)C=CO1 AT17541 [1,0,0,0,1,0|2,0,0]=4 1044 B8R1.11 CC1=C(CN)C=CS1 AT16801 [1,0,0,0,1,0|2,0,0]=4 1045 B8R1.11 CC1=C(CN)OC=C1 AT17196 [1,0,0,0,1,0|2,0,0]=4 1046 B8R1.11 CC1=C(CN)SC=C1 71361 [1,0,0,0,1,0|2,0,0]=4 1047 B8R1.11 CC1=CSC=C1CN AT16790 [1,0,0,0,1,0|2,0,0]=4 1048 B8R1.11 C[S@H]1C=CC=C1CN AT17306 [1,0,0,0,1,0|2,0,0]=4 1049 B8R1.11 NCC1=C(Br)C=CS1 P10346 [1,0,0,0,1,0|1,1,0]=4 1050 B8R1.11 NCC1=CSC=C1Br AT16740 [1,0,0,0,1,0|1,1,0]=4 1051 B8R1.11 NCC1=CSC=C1Cl AT16880 [1,0,0,0,1,0|1,1,0]=4