0 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 21102 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 8253 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 15217 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.21 Cc1ccc(CCC(=O)O)cc1 3031 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 16282 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 19769 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 12507 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 20127 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 3758 [0,0,0,0,0,0|2,0,2]=4 9 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 3630 [0,0,0,0,0,0|2,0,2]=4 10 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 3491 [0,0,0,0,0,0|2,0,2]=4 11 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 24323 [0,0,0,0,0,0|1,0,2]=3 12 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 8247 [0,0,0,0,0,0|1,0,2]=3 13 B11R1.1 CCCCC1=CC=C(Br)C=C1 15109 [1,0,0,0,0,0|1,0,1]=3 14 B11R1.1 CCCCC1=CC=C(I)C=C1 3969 [1,0,0,0,0,0|1,0,1]=3 15 B11R1.1 CCCCC1=CC=C(N)C=C1 23885 [1,0,0,0,0,0|1,0,1]=3 16 B11R1.1 CCCCC1=CC=C(N)C=N1 26081 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.1 CCCOC1=CC=C(O)C=C1 13204 [1,0,0,0,0,0|1,0,1]=3 18 B11R1.1 CNCCC1=CC=C(O)C=C1 15214 [1,0,0,0,0,0|1,0,0]=2 19 B11R1.1 COCCc1ccc(O)cc1 27303 [1,0,0,0,0,0|1,0,0]=2 20 B11R1.1 COCOC1=CC=C(C)C=C1 15106 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.1 ClC1=CC=C(CCCBr)C=C1 25685 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.1 ClCCCC1=CC=C(Cl)C=C1 23877 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.1 N#CCCC1=CC=C(Br)C=C1 20432 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.1 N#CCCC1=CC=C(O)C=C1 13636 [1,0,0,0,0,0|1,0,1]=3 25 B11R1.1 NCCCC1=CC=C(O)C=C1 35658 [1,0,0,0,0,0|1,0,1]=3 26 B11R1.1 O=C=NCC1=CC=C(F)C=C1 28902 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.1 O=CCCC1=CC=C(F)C=C1 31590 [1,0,0,0,0,0|1,0,0]=2 28 B11R1.1 O=CCCC1=CC=C(O)C=C1 13990 [1,0,0,0,0,0|0,0,0]=1 29 B11R1.1 O=C\C=C\C1=CC=C(F)C=C1 11046 [1,0,0,0,0,0|1,0,2]=4 30 B11R1.1 OCCCC1=CC=C(Br)C=C1 3984 [1,0,0,0,0,0|1,0,2]=4 31 B11R1.1 OCCCC1=CC=C(Cl)C=C1 9806 [1,0,0,0,0,0|1,0,2]=4 32 B11R1.1 OCCCC1=CC=C(O)C=C1 25607 [1,0,0,0,0,0|0,0,2]=3 33 B11R1.91 CC(=O)COC1=CC=CC=C1 20265 [1,0,0,0,0,0|1,0,0]=2 34 B11R1.91 CC(=O)NCC1=CC=CC=C1 19722 [1,0,0,0,0,0|1,0,0]=2 35 B11R1.91 CC(=O)NCC1=CC=CN=C1 13219 [1,0,0,0,0,0|2,0,0]=3 36 B11R1.91 CC(=O)NNC1=CC=CC=C1 7620 [1,0,0,0,0,0|2,0,0]=3 37 B11R1.91 CC(=O)OCC1=CC=NC=C1 1302 [1,0,0,0,0,0|2,0,0]=3 38 B11R1.91 CC(C)=NNC1=CC=CC=C1 19806 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.91 CC(N)CCC1=CC=CC=C1 21082 [1,0,0,0,0,0|1,0,1]=3 40 B11R1.91 C[C@H](O)COC1=CC=CC=C1 15590 [1,0,0,0,0,0|1,0,2]=4 41 B11R1.91 NC(=O)COC1=CC=CC=C1 12494 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.91 NC(=O)OCC1=CC=CC=C1 12421 [1,0,0,0,0,0|2,0,0]=3 43 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 11078 [1,0,0,0,0,0|1,0,2]=4 44 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 9173 [1,0,0,0,0,0|1,0,0]=2 45 B11R1.91 O=C(Cl)COC1=CC=CC=C1 30326 [1,0,0,0,0,0|2,0,0]=3 46 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 12079 [1,0,0,0,0,0|2,0,0]=3 47 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 25891 [1,0,0,0,0,0|1,0,2]=4 48 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 36191 [1,0,0,0,0,0|1,0,2]=4 49 B11R1.91 O=C(O)C#CC1=CC=CC=C1 13737 [1,0,0,0,0,0|1,0,2]=4 50 B11R1.91 O=C(O)CCC1=CC=CC=C1 8185 [1,0,0,0,0,0|1,0,0]=2 51 B11R1.91 O=C(O)CCC1=CC=CN=C1 8701 [1,0,0,0,0,0|2,0,0]=3 52 B11R1.91 O=C(O)COC1=CC=NC=C1 34778 [1,0,0,0,0,0|3,0,0]=4 53 B11R1.91 O=C(O)COC1=NC=CC=C1 18115 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 13612 [1,0,0,0,0,0|1,0,2]=4 55 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 8142 [1,0,0,0,0,0|1,0,2]=4 56 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 36133 [1,0,0,0,0,0|2,0,0]=3 57 B11R1.91 OB(O)CCc1ccccc1 14049 [1,0,0,0,0,0|2,0,1]=4 58 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 8251 [0,1,0,0,0,0|1,0,0]=2 59 B13R1.3 COC1=CC=C(\C=C\C(=O)Cl)C=C1 25637 [0,1,0,0,0,0|1,0,2]=4 60 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 35169 [0,1,0,0,0,0|1,0,2]=4 61 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 8248 [0,1,0,0,0,0|1,0,2]=4 62 B13R1.3 CSC1=CC=C(OCC(=O)O)C=C1 19218 [0,1,0,0,0,0|2,1,0]=4 63 B13R1.3 N#CC1=CC=C(NCC(=O)O)C=C1 18108 [0,1,0,0,0,0|3,0,0]=4 64 B13R1.3 N#CC1=CC=C(OCC(=O)O)C=C1 19213 [0,1,0,0,0,0|3,0,0]=4 65 B13R1.3 O=C(O)COC1=CC=C(CO)C=C1 11987 [0,1,0,0,0,0|2,0,0]=3 66 B13R1.3 O=CC1=CC=C(CCC(=O)O)C=C1 27618 [0,1,0,0,0,0|1,0,1]=3 67 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 28884 [0,1,0,0,0,0|0,0,0]=1 68 B13R1.14 COC(=O)COC1=CC=C(N)C=C1 31615 [0,1,0,0,0,0|2,0,0]=3 69 B13R1.14 COC(=O)\C=C\C1=CC=C(Cl)C=C1 8193 [0,1,0,0,0,0|1,0,2]=4 70 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 3126 [0,1,0,0,0,0|0,0,2]=3 71 B13R1.132 CC1=CC=C(C(N)CC(=O)O)C=C1 13897 [0,1,0,0,0,0|2,0,0]=3 72 B13R1.132 CC1=CC=C([C@@H](N)CC(=O)O)C=C1 24070 [0,1,0,0,0,0|2,0,0]=3 73 B13R1.132 CC1=CC=C([C@H](N)CC(=O)O)C=C1 14199 [0,1,0,0,0,0|2,0,0]=3 74 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 14764 [0,1,0,0,0,0|2,0,0]=3 75 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 13896 [0,1,0,0,0,0|2,0,0]=3 76 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 17337 [0,1,0,0,0,0|2,0,0]=3 77 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 17328 [0,1,0,0,0,0|2,0,0]=3 78 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(F)C=C1 17305 [0,1,0,0,0,0|2,0,0]=3 79 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 24048 [0,1,0,0,0,0|1,0,0]=2 80 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(Br)C=C1 20482 [0,1,0,0,0,0|2,0,0]=3 81 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(Cl)C=C1 14200 [0,1,0,0,0,0|2,0,0]=3 82 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(F)C=C1 17300 [0,1,0,0,0,0|2,0,0]=3 83 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(O)C=C1 13971 [0,1,0,0,0,0|1,0,0]=2 84 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(O)C=C1 24046 [0,1,0,0,0,0|1,0,0]=2 85 B13R1.133 CC(NC1=CC=C(Br)C=C1)C(=O)O 35889 [0,1,0,0,0,0|3,0,0]=4 86 B13R1.133 CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 29803 [0,1,0,0,0,0|2,0,0]=3 87 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 29802 [0,1,0,0,0,0|2,0,0]=3 88 B13R1.133 C[C@@H](Oc1ccc(O)cc1)C(=O)O 13613 [0,1,0,0,0,0|2,0,0]=3 89 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O 14882 [0,1,0,0,0,0|2,0,0]=3 90 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O 14881 [0,1,0,0,0,0|2,0,0]=3 91 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O 19059 [0,1,0,0,0,0|1,0,0]=2 92 B13R1.133 NC1=CC=C(C[C@@H](N)C(=O)O)C=C1 29898 [0,1,0,0,0,0|2,0,0]=3 93 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 12019 [0,1,0,0,0,0|2,0,0]=3 94 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 13161 [0,1,0,0,0,0|2,0,0]=3 95 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O 18012 [0,1,0,0,0,0|2,0,0]=3 96 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 17995 [0,1,0,0,0,0|2,0,0]=3 97 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 23297 [0,1,0,0,0,0|2,0,0]=3 98 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 17502 [0,1,0,0,0,0|2,0,0]=3 99 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 17965 [0,1,0,0,0,0|2,0,0]=3 100 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 12040 [0,1,0,0,0,0|2,0,0]=3 101 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 14347 [0,1,0,0,0,0|1,0,0]=2 102 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)[O-] 35571 [0,1,0,0,0,0|1,0,0]=2 103 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O 18011 [0,1,0,0,0,0|2,0,0]=3 104 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O 23285 [0,1,0,0,0,0|2,0,0]=3 105 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 12305 [0,1,0,0,0,0|2,0,0]=3 106 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 23298 [0,1,0,0,0,0|2,0,0]=3 107 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O 12021 [0,1,0,0,0,0|2,0,0]=3 108 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O 18647 [0,1,0,0,0,0|2,0,0]=3 109 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O 13030 [0,1,0,0,0,0|1,0,0]=2 110 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(F)C=C1 19256 [0,1,0,0,0,0|2,0,0]=3 111 B13R1.164 O=C(O)COC1=C(Cl)C=C(Cl)C=C1 22239 [0,1,0,0,0,0|3,0,0]=4 112 B13R1.511 CC1=C(C)C=C(CCC(=O)Cl)C=C1 25725 [0,1,0,0,0,0|2,0,0]=3 113 B13R1.511 CC1=C(C)C=C(CCC(=O)O)C=C1 25724 [0,1,0,0,0,0|2,0,0]=3 114 B13R1.511 NC1=C(Br)C=CC(CCC(=O)O)=C1 22866 [0,1,0,0,0,0|2,0,0]=3 115 B13R1.511 O=C(O)CCC1=CC(O)=C(O)C=C1 35050 [0,1,0,0,0,0|1,0,0]=2 116 B13R1.511 O=C(O)\C=C\C1=CC(O)=C(O)C=C1 8262 [0,1,0,0,0,0|1,0,2]=4 117 B13R2.155 NC1=CC=C2CCC(=O)NC2=C1 19778 [0,0,0,1,0,0|2,0,0]=3 118 B13R2.155 NC1CCC2=CC=C(Br)C=C2C1 16701 [0,0,0,1,0,0|2,0,1]=4 119 B13R2.155 N[C@@H]1CCC2=CC=C(O)C=C2C1 17353 [0,0,0,1,0,0|1,0,1]=3 120 B13R2.155 N[C@H]1CCC2=CC=C(O)C=C2C1 17355 [0,0,0,1,0,0|1,0,1]=3 121 B13R2.155 O=C1C=CC2=CC=C(O)C=C2N1 5866 [0,0,0,1,0,0|1,0,2]=4 122 B13R2.155 O=C1C=CC2=CC=C(O)C=C2O1 10607 [0,0,0,1,0,0|1,0,2]=4 123 B13R2.155 O=C1CCC2=CC=C(Br)C=C2C1 18150 [0,0,0,1,0,0|1,0,0]=2 124 B13R2.155 O=C1CCC2=CC=C(Cl)C=C2C1 18149 [0,0,0,1,0,0|1,0,0]=2 125 B13R2.155 O=C1CCC2=CC=C(Cl)C=C2N1 25678 [0,0,0,1,0,0|2,0,0]=3 126 B13R2.155 O=C1CCC2=CC=C(F)C=C2C1 18147 [0,0,0,1,0,0|1,0,0]=2 127 B13R2.155 O=C1CCC2=CC=C(O)C=C2N1 14908 [0,0,0,1,0,0|1,0,0]=2 128 B13R2.155 O=C1COC2=C(C=C(Br)C=C2)N1 16746 [0,0,0,1,0,0|3,0,0]=4 129 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)N1 27691 [0,0,0,1,0,0|3,0,0]=4 130 B13R2.155 O=C1COC2=C(C=C(O)C=C2)N1 27892 [0,0,0,1,0,0|2,0,0]=3 131 B13R2.155 O=C1COC2=CC=C(Br)C=C2C1 18399 [0,0,0,1,0,0|2,0,0]=3 132 B13R2.155 O=C1COC2=CC=C(Cl)C=C2C1 18387 [0,0,0,1,0,0|2,0,0]=3 133 B13R2.155 O=C1COC2=CC=C(F)C=C2C1 18379 [0,0,0,1,0,0|2,0,0]=3 134 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 31604 [0,0,0,0,1,0|1,0,0]=2 135 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 28145 [0,0,0,0,1,0|1,0,0]=2 136 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 28133 [0,0,0,0,1,0|1,0,0]=2 137 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 35682 [0,0,0,0,1,0|0,0,0]=1 138 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 3342 [0,0,0,0,1,0|2,0,0]=3 139 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 26262 [0,0,0,0,1,0|2,0,0]=3 140 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 3293 [0,0,0,0,1,0|2,0,0]=3 141 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 17726 [0,0,0,0,1,0|1,0,0]=2 142 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 6832 [0,0,0,0,1,0|1,1,0]=3 143 B11R1.20 CC(=O)NC1=CN=C(Br)C=C1 9474 [0,0,0,0,1,0|3,0,0]=4 144 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 5546 [0,0,0,0,1,0|3,0,0]=4 145 B11R1.20 CC(=O)NC1=NC=C(F)C=C1 1298 [0,0,0,0,1,0|3,0,0]=4 146 B11R1.20 CC(=O)NC1=NC=C(N)C=C1 1297 [0,0,0,0,1,0|3,0,0]=4 147 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 3061 [0,0,0,0,1,0|2,0,0]=3 148 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 27490 [0,0,0,0,1,0|2,0,1]=4 149 B11R1.20 CC(C)OC1=CC=C(O)C=C1 34515 [0,0,0,0,1,0|2,0,1]=4 150 B11R1.20 CC(N)CC1=CC=C(F)C=C1 19961 [0,0,0,0,1,0|2,0,1]=4 151 B11R1.20 CC1=CC=C(CC(O)=S)C=C1 10789 [0,0,0,0,1,0|2,0,1]=4 152 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 17532 [0,0,0,0,1,0|1,0,0]=2 153 B11R1.20 NC1=CC=C(CC(=O)O)C=N1 25031 [0,0,0,0,1,0|3,0,0]=4 154 B11R1.20 NC1=CN=C(CC(=O)O)C=C1 32286 [0,0,0,0,1,0|3,0,0]=4 155 B11R1.20 Nc1ccc(CC(=O)O)cc1 22147 [0,0,0,0,1,0|2,0,0]=3 156 B11R1.20 O=C(Cl)CC1=CC=C(Cl)C=C1 44721 [0,0,0,0,1,0|2,0,0]=3 157 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 17517 [0,0,0,0,1,0|2,0,0]=3 158 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 4246 [0,0,0,0,1,0|2,0,0]=3 159 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 4250 [0,0,0,0,1,0|2,0,0]=3 160 B11R1.20 O=C(O)CC1=CC=C(Cl)N=C1 13909 [0,0,0,0,1,0|3,0,0]=4 161 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 13432 [0,0,0,0,1,0|2,0,0]=3 162 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 19614 [0,0,0,0,1,0|2,0,0]=3 163 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 18835 [0,0,0,0,1,0|2,0,0]=3 164 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 22193 [0,0,0,0,1,0|1,0,0]=2 165 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 34915 [0,0,0,0,1,0|1,1,0]=3 166 B11R1.20 O=C([O-])[ClH]C1=CC=C(Br)C=C1 28974 [0,0,0,0,1,0|3,0,0]=4 167 B11R1.20 O=C([O-])[ClH]C1=CC=C(F)C=C1 28972 [0,0,0,0,1,0|3,0,0]=4 168 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 16174 [0,0,0,0,0,1|2,0,0]=3 169 B10R1.1 BrCCC1=CC=C(Br)C=C1 16698 [2,0,0,0,0,0|2,0,0]=4 170 B10R1.1 CCCC1=CC=C(Br)C=C1 10762 [2,0,0,0,0,0|1,0,0]=3 171 B10R1.1 CCCC1=CC=C(N)C=N1 26082 [2,0,0,0,0,0|2,0,0]=4 172 B10R1.1 CCOC1=CC=C(Br)C=C1 3138 [2,0,0,0,0,0|2,0,0]=4 173 B10R1.1 CCOC1=CC=C(C)C=C1 3181 [2,0,0,0,0,0|2,0,0]=4 174 B10R1.1 CCOC1=CC=C(Cl)C=C1 3165 [2,0,0,0,0,0|2,0,0]=4 175 B10R1.1 CCOC1=CC=C(F)C=C1 3175 [2,0,0,0,0,0|2,0,0]=4 176 B10R1.1 CCOC1=CC=C(I)C=C1 3177 [2,0,0,0,0,0|2,0,0]=4 177 B10R1.1 CCOC1=CC=C(N)C=C1 9511 [2,0,0,0,0,0|2,0,0]=4 178 B10R1.1 CCOC1=CC=C(O)C=C1 9512 [2,0,0,0,0,0|1,0,0]=3 179 B10R1.1 CNCC1=CC=C(C)C=C1 10497 [2,0,0,0,0,0|2,0,0]=4 180 B10R1.1 CNCC1=CC=C(F)C=C1 31250 [2,0,0,0,0,0|2,0,0]=4 181 B10R1.1 ClC1=CC=C(CCBr)C=C1 28821 [2,0,0,0,0,0|2,0,0]=4 182 B10R1.1 ClCCC1=CC=C(Cl)C=C1 28820 [2,0,0,0,0,0|2,0,0]=4 183 B10R1.1 FC1=CC=C(CCBr)C=C1 25674 [2,0,0,0,0,0|2,0,0]=4 184 B10R1.1 FC1=CC=C(CCBr)C=C1 28825 [2,0,0,0,0,0|2,0,0]=4 185 B10R1.1 N#CCC1=CC=C(O)C=C1 18614 [2,0,0,0,0,0|1,0,1]=4 186 B10R1.1 NC1=CC=C(CCO)C=C1 4580 [2,0,0,0,0,0|1,0,1]=4 187 B10R1.1 NCCC1=CC=C(Br)C=C1 27051 [2,0,0,0,0,0|2,0,0]=4 188 B10R1.1 NCCC1=CC=C(Cl)C=C1 36132 [2,0,0,0,0,0|2,0,0]=4 189 B10R1.1 NCCC1=CC=C(F)C=C1 16712 [2,0,0,0,0,0|2,0,0]=4 190 B10R1.1 NCCC1=CC=C(F)C=C1 29725 [2,0,0,0,0,0|2,0,0]=4 191 B10R1.1 NCCC1=CC=C(N)C=C1 19815 [2,0,0,0,0,0|2,0,0]=4 192 B10R1.1 NCCC1=CC=C(N)C=C1 25418 [2,0,0,0,0,0|2,0,0]=4 193 B10R1.1 NCCC1=CC=C(O)C=C1 16668 [2,0,0,0,0,0|1,0,0]=3 194 B10R1.1 O=CCC1=CC=C(Cl)C=C1 26501 [2,0,0,0,0,0|1,0,0]=3 195 B10R1.1 OC1=CC=C(CCBr)C=C1 2349 [2,0,0,0,0,0|1,0,0]=3 196 B10R1.1 OCCC1=CC=C(Cl)C=C1 3093 [2,0,0,0,0,0|1,0,1]=4 197 B10R1.1 OCCC1=CC=C(F)C=C1 4585 [2,0,0,0,0,0|1,0,1]=4 198 B10R1.1 OCCC1=CC=C(O)C=C1 9418 [2,0,0,0,0,0|0,0,1]=3 199 B10R1.17 BrCCCC1=CC=CC=C1 3832 [2,0,0,0,0,0|1,0,1]=4 200 B10R1.17 C=CCOC1=CC=CC=C1 29359 [2,0,0,0,0,0|1,0,1]=4 201 B10R1.17 C=COCC1=CC=CC=C1 36172 [2,0,0,0,0,0|1,0,1]=4 202 B10R1.17 CCCCC1=CC=CC=C1 13571 [2,0,0,0,0,0|0,0,1]=3 203 B10R1.17 CNCCC1=CC=NC=C1 14195 [2,0,0,0,0,0|2,0,0]=4 204 B10R1.17 NNCCC1=CC=CC=C1 16246 [2,0,0,0,0,0|2,0,0]=4 205 B10R1.17 O=C\C=C\C1=CC=CC=C1 24958 [2,0,0,0,0,0|0,0,2]=4 206 B10R1.17 OCCCC1=CC=CC=C1 15023 [2,0,0,0,0,0|0,0,2]=4 207 B12R1.1 CCCCCC1=CC=C(N)C=C1 20586 [1,1,0,0,0,0|1,0,1]=4 208 B12R1.1 CCCCCc1ccc(Br)cc1 10634 [1,1,0,0,0,0|1,0,1]=4 209 B12R1.1 CCCCOC1=CC=C(O)C=C1 13206 [1,1,0,0,0,0|0,0,1]=3 210 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 21420 [1,1,0,0,0,0|0,0,2]=4 211 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 18243 [1,1,0,0,0,0|1,0,0]=3 212 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 19751 [1,1,0,0,0,0|1,0,1]=4 213 B12R1.69 CCCCC1=C(O)C=C(O)C=C1 34144 [1,1,0,0,0,0|0,0,1]=3 214 B12R1.71 C#CC1=CC=C(CCCC)C=C1 10978 [1,1,0,0,0,0|1,0,1]=4 215 B12R1.71 CCNCC1=CC=C(OC)C=C1 26458 [1,1,0,0,0,0|1,0,1]=4 216 B12R1.71 COC1=CC=C(CCC=O)C=C1 10913 [1,1,0,0,0,0|0,0,0]=2 217 B12R1.71 COC1=CC=C(CCCN)C=C1 13994 [1,1,0,0,0,0|1,0,1]=4 218 B12R1.71 COC1=CC=C(CCCO)C=C1 14210 [1,1,0,0,0,0|0,0,2]=4 219 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 23442 [1,1,0,0,0,0|1,0,1]=4 220 B12R1.27 COC(=O)CCC1=CC=CC=C1 18417 [1,1,0,0,0,0|0,0,0]=2 221 B12R1.27 COC(=O)COC1=CC=CC=C1 12489 [1,1,0,0,0,0|1,0,0]=3 222 B12R1.27 COC(=O)CSC1=CC=CC=C1 10851 [1,1,0,0,0,0|1,0,0]=3 223 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 8189 [1,1,0,0,0,0|0,0,2]=4 224 B12R1.27 NCC(=O)OCC1=CC=CC=C1 11141 [1,1,0,0,0,0|1,0,0]=3 225 B12R1.27 NNC(=O)OCC1=CC=CC=C1 13705 [1,1,0,0,0,0|2,0,0]=4 226 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 7461 [1,1,0,0,0,0|1,0,0]=3 227 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 12461 [1,1,0,0,0,0|1,0,0]=3 228 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 22780 [1,1,0,0,0,0|1,0,0]=3 229 B12R1.27 O=C(NO)OCC1=CC=CC=C1 22874 [1,1,0,0,0,0|2,0,0]=4 230 B12R1.43 CC(CC1=CC=CC=C1)[N+](=O)[O-] 35813 [1,1,0,0,0,0|2,0,0]=4 231 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O 16952 [1,1,0,0,0,0|2,0,0]=4 232 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 20603 [1,1,0,0,0,0|1,0,0]=3 233 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 19011 [1,1,0,0,0,0|1,0,0]=3 234 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 2375 [1,1,0,0,0,0|1,0,0]=3 235 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O 21965 [1,1,0,0,0,0|2,0,0]=4 236 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 11004 [1,1,0,0,0,0|1,0,0]=3 237 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 18595 [1,1,0,0,0,0|1,0,0]=3 238 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O 20966 [1,1,0,0,0,0|2,0,0]=4 239 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O 24900 [1,1,0,0,0,0|2,0,0]=4 240 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O 20967 [1,1,0,0,0,0|2,0,0]=4 241 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O 5696 [1,1,0,0,0,0|2,0,0]=4 242 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 10975 [1,1,0,0,0,0|1,0,0]=3 243 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O 15910 [1,1,0,0,0,0|2,0,0]=4 244 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O 29810 [1,1,0,0,0,0|2,0,0]=4 245 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 10725 [1,1,0,0,0,0|1,0,0]=3 246 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 6413 [1,1,0,0,0,0|1,0,0]=3 247 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 6414 [1,1,0,0,0,0|1,0,0]=3 248 B12R1.107 CC(=O)CC(=O)C1=CC=NC=C1 16697 [1,1,0,0,0,0|1,0,1]=4 249 B12R1.107 CC(=O)CC(=O)C1=NC=CC=C1 35878 [1,1,0,0,0,0|1,0,1]=4 250 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 25350 [1,1,0,0,0,0|1,0,0]=3 251 B12R1.107 CC(=O)NC(C)c1ccccc1 28161 [1,1,0,0,0,0|1,0,0]=3 252 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 13889 [1,1,0,0,0,0|1,0,0]=3 253 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 13900 [1,1,0,0,0,0|2,0,0]=4 254 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 17293 [1,1,0,0,0,0|1,0,0]=3 255 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CN=C1 15111 [1,1,0,0,0,0|2,0,0]=4 256 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 15101 [1,1,0,0,0,0|2,0,0]=4 257 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 15116 [1,1,0,0,0,0|2,0,0]=4 258 B12R1.107 N[C@@H](CC(=O)O)c1ccccc1 5926 [1,1,0,0,0,0|1,0,0]=3 259 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 14014 [1,1,0,0,0,0|1,0,0]=3 260 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 5925 [1,1,0,0,0,0|1,0,0]=3 261 B12R1.107 N[C@H](CC(=O)O)C1=CC=CN=C1 15114 [1,1,0,0,0,0|2,0,0]=4 262 B12R1.107 N[C@H](CC(=O)O)C1=CC=NC=C1 15103 [1,1,0,0,0,0|2,0,0]=4 263 B12R1.107 N[C@H](CC(=O)O)C1=NC=CC=C1 15113 [1,1,0,0,0,0|2,0,0]=4 264 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 13910 [1,1,0,0,0,0|1,0,0]=3 265 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 31589 [1,1,0,0,0,0|1,0,0]=3 266 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 15787 [1,1,0,0,0,0|1,0,0]=3 267 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 19768 [1,1,0,0,0,0|1,0,0]=3 268 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 13945 [1,1,0,0,0,0|2,0,0]=4 269 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 19212 [1,1,0,0,0,0|2,0,0]=4 270 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 25873 [1,1,0,0,0,0|1,0,0]=3 271 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 25814 [1,1,0,0,0,0|1,0,0]=3 272 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 13947 [1,1,0,0,0,0|1,0,0]=3 273 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 26050 [1,1,0,0,0,0|1,0,0]=3 274 B12R1.226 O=C(O)COC1=CC(F)=CC=C1 19211 [1,1,0,0,0,0|2,0,0]=4 275 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 31402 [1,1,0,0,0,0|2,0,0]=4 276 B12R1.4 C=CC1=CC=C(OC(C)=O)C=C1 16000 [0,1,0,0,1,0|2,0,0]=4 277 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 13216 [0,1,0,0,1,0|2,0,0]=4 278 B12R1.4 CC(=O)Nc1ccc(C=O)cc1 7786 [0,1,0,0,1,0|1,0,1]=4 279 B12R1.4 CCC1=CC=C(CC(C)=O)C=C1 19953 [0,1,0,0,1,0|1,0,0]=3 280 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 19844 [0,1,0,0,1,0|1,0,0]=3 281 B12R1.4 COC1=CC=C(C[C@@H](C)N)C=C1 36095 [0,1,0,0,1,0|1,0,1]=4 282 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 3327 [0,1,0,0,1,0|1,0,0]=3 283 B12R1.4 CSC1=CC=C(CC(=O)O)C=C1 10785 [0,1,0,0,1,0|1,1,0]=4 284 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 19712 [0,1,0,0,1,0|2,0,0]=4 285 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 31939 [0,1,0,0,1,0|2,0,0]=4 286 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 16459 [0,1,0,0,1,0|2,0,0]=4 287 B12R1.4 O=C(O)CC1=CC=C(CO)C=C1 19630 [0,1,0,0,1,0|1,0,0]=3 288 B12R1.19 CC(=O)NC1=CC(Cl)=C(O)C=C1 35738 [0,1,0,0,1,0|1,0,0]=3 289 B12R1.19 CC(=O)OC1=CC(Br)=C(Cl)C=C1 3056 [0,1,0,0,1,0|2,0,0]=4 290 B12R1.19 CC1=C(Br)C=CC(CC(=O)O)=C1 24119 [0,1,0,0,1,0|2,0,0]=4 291 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 10440 [0,1,0,0,1,0|2,0,0]=4 292 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 28862 [0,1,0,0,1,0|2,0,0]=4 293 B12R1.19 CC1=C(F)C=C(CC(=O)O)C=C1 5864 [0,1,0,0,1,0|2,0,0]=4 294 B12R1.19 CC1=C(F)C=CC(CC(=O)O)=C1 31506 [0,1,0,0,1,0|2,0,0]=4 295 B12R1.19 CC1=C(O)C=CC(CC(=O)O)=C1 31480 [0,1,0,0,1,0|1,0,0]=3 296 B12R1.19 NC1=C(F)C=C(CC(=O)O)C=C1 16866 [0,1,0,0,1,0|2,0,0]=4 297 B12R1.19 O=C(O)CC1=CC(Br)=C(Cl)C=C1 31765 [0,1,0,0,1,0|2,0,0]=4 298 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 15175 [0,1,0,0,1,0|1,0,0]=3 299 B12R1.19 O=C(O)CC1=CC(Cl)=C(Br)C=C1 31528 [0,1,0,0,1,0|2,0,0]=4 300 B12R1.19 O=C(O)CC1=CC(Cl)=C(Cl)C=C1 20195 [0,1,0,0,1,0|2,0,0]=4 301 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 4260 [0,1,0,0,1,0|2,0,0]=4 302 B12R1.19 O=C(O)CC1=CC(Cl)=C(O)C=C1 12996 [0,1,0,0,1,0|1,0,0]=3 303 B12R1.19 O=C(O)CC1=CC(F)=C(Br)C=C1 35106 [0,1,0,0,1,0|2,0,0]=4 304 B12R1.19 O=C(O)CC1=CC(F)=C(Cl)C=C1 4301 [0,1,0,0,1,0|2,0,0]=4 305 B12R1.19 O=C(O)CC1=CC(F)=C(F)C=C1 4154 [0,1,0,0,1,0|2,0,0]=4 306 B12R1.19 O=C(O)CC1=CC(F)=C(I)C=C1 31430 [0,1,0,0,1,0|2,0,0]=4 307 B12R1.19 O=C(O)CC1=CC(F)=C(O)C=C1 26176 [0,1,0,0,1,0|1,0,0]=3 308 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 24320 [0,1,0,0,1,0|1,0,0]=3 309 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 16056 [0,1,0,0,1,0|1,0,1]=4 310 B12R1.20 CC1=CC=C(C(N)C(=O)O)C=C1 14073 [0,1,0,0,1,0|2,0,0]=4 311 B12R1.20 NC(=O)[C@H](N)C1=CC=C(O)C=C1 13166 [0,1,0,0,1,0|1,0,0]=3 312 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 31444 [0,1,0,0,1,0|2,0,0]=4 313 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 5745 [0,1,0,0,1,0|2,0,0]=4 314 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 20743 [0,1,0,0,1,0|2,0,0]=4 315 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 23753 [0,1,0,0,1,0|2,0,0]=4 316 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 5933 [0,1,0,0,1,0|2,0,0]=4 317 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 12445 [0,1,0,0,1,0|1,0,0]=3 318 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 13435 [0,1,0,0,1,0|2,0,0]=4 319 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 5931 [0,1,0,0,1,0|2,0,0]=4 320 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 13975 [0,1,0,0,1,0|1,0,0]=3 321 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 26486 [0,1,0,0,1,0|1,0,0]=3 322 B12R1.233 CC(=O)NC1=C(F)C=C(Br)C=C1 14886 [0,1,0,0,1,0|2,0,0]=4 323 B12R1.233 CC1=C(CC(=O)O)C=CC(Br)=C1 31490 [0,1,0,0,1,0|2,0,0]=4 324 B12R1.233 CC1=C(CC(=O)O)C=CC(F)=C1 4174 [0,1,0,0,1,0|2,0,0]=4 325 B12R1.233 Cc1ccc(CC(=O)O)c(C)c1 26355 [0,1,0,0,1,0|2,0,0]=4 326 B12R1.233 NC1=CC(F)=C(CC(=O)O)C=C1 28844 [0,1,0,0,1,0|2,0,0]=4 327 B12R1.233 O=C(O)CC1=C(Br)C=C(Cl)C=C1 11165 [0,1,0,0,1,0|2,0,0]=4 328 B12R1.233 O=C(O)CC1=C(Br)C=C(F)C=C1 2703 [0,1,0,0,1,0|2,0,0]=4 329 B12R1.233 O=C(O)CC1=C(Cl)C=C(Br)C=C1 31433 [0,1,0,0,1,0|2,0,0]=4 330 B12R1.233 O=C(O)CC1=C(Cl)C=C(Cl)C=C1 15026 [0,1,0,0,1,0|2,0,0]=4 331 B12R1.233 O=C(O)CC1=C(Cl)C=C(F)C=C1 2710 [0,1,0,0,1,0|2,0,0]=4 332 B12R1.233 O=C(O)CC1=C(F)C=C(Br)C=C1 13742 [0,1,0,0,1,0|2,0,0]=4 333 B12R1.233 O=C(O)CC1=C(F)C=C(Cl)C=C1 4292 [0,1,0,0,1,0|2,0,0]=4 334 B12R1.233 O=C(O)CC1=C(F)C=C(F)C=C1 4093 [0,1,0,0,1,0|2,0,0]=4 335 B12R1.233 O=C(O)CC1=C(F)C=C(O)C=C1 4194 [0,1,0,0,1,0|1,0,0]=3 336 B12R1.233 O=C(O)CC1=C(O)C=C(Br)C=C1 31469 [0,1,0,0,1,0|2,0,0]=4 337 B12R1.233 O=C(O)CC1=C(O)C=C(O)C=C1 15519 [0,1,0,0,1,0|1,0,0]=3 338 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 15207 [0,1,0,0,0,1|1,0,0]=3 339 B14R1.4 COC1=CC=C(CCCC(N)=O)C=C1 29039 [0,1,0,0,0,1|1,0,0]=3 340 B14R1.4 COC1=CC=C(OCCC(=O)O)C=C1 19220 [0,1,0,0,0,1|1,0,0]=3 341 B14R1.4 CSC1=CC=C(OCCC(=O)O)C=C1 19236 [0,1,0,0,0,1|1,1,0]=4 342 B14R1.4 N#CC1=CC=C(OCCC(=O)O)C=C1 19227 [0,1,0,0,0,1|2,0,0]=4 343 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 31807 [0,1,0,0,0,1|1,0,0]=3 344 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 31821 [0,1,0,0,0,1|1,0,0]=3 345 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 33726 [0,1,0,0,0,1|2,0,0]=4 346 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 23490 [0,1,0,0,0,1|2,0,0]=4 347 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 3484 [0,1,0,0,0,1|2,0,0]=4 348 B14R1.687 O=C(O)CCOC1=CC(F)=C(F)C=C1 12498 [0,1,0,0,0,1|2,0,0]=4 349 B14R1.698 CC1=CC=C(C[C@H](N)CC(=O)O)C=C1 30152 [0,1,0,0,0,1|2,0,0]=4 350 B14R1.698 Cc1ccc(C[C@@H](N)CC(=O)O)cc1 30064 [0,1,0,0,0,1|2,0,0]=4 351 B14R1.698 N[C@@H](CC(=O)O)Cc1ccc(Cl)cc1 30106 [0,1,0,0,0,1|2,0,0]=4 352 B14R1.698 N[C@@H](CC(=O)O)Cc1ccc(I)cc1 30077 [0,1,0,0,0,1|2,0,0]=4 353 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Cl)C=C1 30153 [0,1,0,0,0,1|2,0,0]=4 354 B14R1.698 N[C@H](CC(=O)O)Cc1ccc(Br)cc1 30165 [0,1,0,0,0,1|2,0,0]=4 355 B14R1.698 N[C@H](CC(=O)O)Cc1ccc(F)cc1 30147 [0,1,0,0,0,1|2,0,0]=4 356 B14R1.698 N[C@H](CC(=O)O)Cc1ccc(I)cc1 30128 [0,1,0,0,0,1|2,0,0]=4 357 B14R1.698 N[C@H](CC(=O)O)Cc1ccc(O)cc1 30126 [0,1,0,0,0,1|1,0,0]=3 358 B14R1.2 COC1=CC=C(C(N)CC(=O)O)C=C1 13902 [0,2,0,0,0,0|1,0,0]=3 359 B14R1.2 COC1=CC=C([C@@H](N)CC(=O)O)C=C1 24028 [0,2,0,0,0,0|1,0,0]=3 360 B14R1.2 COC1=CC=C([C@@H](N)CC(=O)O)C=C1 30247 [0,2,0,0,0,0|1,0,0]=3 361 B14R1.3 COC1=CC=C(C[C@@H](N)C(=O)O)C=C1 17346 [0,2,0,0,0,0|1,0,0]=3 362 B14R1.3 COC1=CC=C(C[C@@H](N)C(=O)O)C=C1 18019 [0,2,0,0,0,0|1,0,0]=3 363 B14R1.3 COC1=CC=C(C[C@@H](N)C(=O)O)C=C1 23307 [0,2,0,0,0,0|1,0,0]=3 364 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 13163 [0,2,0,0,0,0|1,0,0]=3 365 B14R1.3 N#CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 13160 [0,2,0,0,0,0|2,0,0]=4 366 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 18610 [0,2,0,0,0,0|2,0,0]=4 367 B14R1.419 CC(=O)NCC1=CC=C(B(O)O)C=C1 14580 [0,2,0,0,0,0|1,0,0]=3 368 B14R1.419 O=C(O)CCC1=CC=C(C(=O)O)C=C1 19268 [0,2,0,0,0,0|1,0,0]=3 369 B14R1.419 O=C(O)CCC1=CC=C([N+](=O)[O-])C=C1 13615 [0,2,0,0,0,0|1,0,1]=4 370 B14R1.3653 COC1=C(O)C=C(CC[N+](=O)[O-])C=C1 19593 [0,2,0,0,0,0|2,0,0]=4 371 B14R1.10 COC(=O)CC(=O)C1=CC=C(Cl)C=C1 28888 [0,2,0,0,0,0|1,0,1]=4 372 B14R1.10 COC(=O)CC(=O)C1=CC=C(F)C=C1 16721 [0,2,0,0,0,0|1,0,1]=4 373 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 10889 [0,2,0,0,0,0|0,0,0]=2 374 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 10902 [0,2,0,0,0,0|0,0,0]=2 375 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(O)C=C1 10891 [0,2,0,0,0,0|0,0,0]=2 376 B14R1.134 COC(=O)[C@H](O)CC1=CC=C(F)C=C1 19257 [0,2,0,0,0,0|1,0,0]=3 377 B14R1.134 NNC(=O)[C@@H](N)CC1=CC=C(O)C=C1 27073 [0,2,0,0,0,0|1,0,0]=3 378 B14R1.502 CCOC(=O)CCC1=CC=C(N)C=C1 27582 [0,2,0,0,0,0|1,0,0]=3 379 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 20092 [0,2,0,0,0,0|0,0,0]=2 380 B14R1.1019 CC1=CC=C([C@@H](CN)CC(=O)O)C=C1 18296 [0,2,0,0,0,0|2,0,0]=4 381 B14R1.1019 CC1=CC=C([C@H](CN)CC(=O)O)C=C1 18295 [0,2,0,0,0,0|2,0,0]=4 382 B14R1.1019 NC[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 18294 [0,2,0,0,0,0|2,0,0]=4 383 B14R1.1019 NC[C@@H](CC(=O)O)C1=CC=C(F)C=C1 18293 [0,2,0,0,0,0|2,0,0]=4 384 B14R1.1019 NC[C@H](CC(=O)O)C1=CC=C(Cl)C=C1 18285 [0,2,0,0,0,0|2,0,0]=4 385 B14R1.1019 NC[C@H](CC(=O)O)C1=CC=C(F)C=C1 18292 [0,2,0,0,0,0|2,0,0]=4 386 B14R1.6048 N[C@@H](CC(=O)O)C1=C(Cl)C=C(Cl)C=C1 30179 [0,2,0,0,0,0|2,0,0]=4 387 B14R1.6048 N[C@H](CC(=O)O)C1=C(Cl)C=C(Cl)C=C1 30193 [0,2,0,0,0,0|2,0,0]=4 388 B14R1.686 CC1=C(C)C=C(CC(N)C(=O)O)C=C1 14840 [0,2,0,0,0,0|2,0,0]=4 389 B14R1.686 NC(CC1=CC(F)=C(F)C=C1)C(=O)O 8478 [0,2,0,0,0,0|2,0,0]=4 390 B14R1.686 N[C@@H](CC1=CC(Cl)=C(Cl)C=C1)C(=O)O 11970 [0,2,0,0,0,0|2,0,0]=4 391 B14R1.686 N[C@@H](CC1=CC(Cl)=C(Cl)C=C1)C(=O)O 18710 [0,2,0,0,0,0|2,0,0]=4 392 B14R1.686 N[C@@H](CC1=CC(Cl)=C(O)C=C1)C(=O)O 11980 [0,2,0,0,0,0|1,0,0]=3 393 B14R1.686 N[C@@H](CC1=CC(F)=C(F)C=C1)C(=O)O 17977 [0,2,0,0,0,0|2,0,0]=4 394 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O 13968 [0,2,0,0,0,0|1,0,0]=3 395 B14R1.686 N[C@H](CC1=CC(Cl)=C(Cl)C=C1)C(=O)O 18703 [0,2,0,0,0,0|2,0,0]=4 396 B14R1.686 N[C@H](CC1=CC(F)=C(F)C=C1)C(=O)O 17976 [0,2,0,0,0,0|2,0,0]=4 397 B14R1.686 N[C@H](CC1=CC(F)=C(F)C=C1)C(=O)O 29784 [0,2,0,0,0,0|2,0,0]=4 398 B14R1.686 N[C@H](CC1=CC(O)=C(O)C=C1)C(=O)O 35743 [0,2,0,0,0,0|1,0,0]=3 399 B14R1.6049 NC(CC1=C(F)C=C(F)C=C1)C(=O)O 8475 [0,2,0,0,0,0|2,0,0]=4 400 B14R1.6049 N[C@@H](CC1=C(F)C=C(F)C=C1)C(=O)O 17969 [0,2,0,0,0,0|2,0,0]=4 401 B14R1.6049 N[C@H](CC1=C(Cl)C=C(Cl)C=C1)C(=O)O 29758 [0,2,0,0,0,0|2,0,0]=4 402 B14R1.6049 N[C@H](CC1=C(F)C=C(F)C=C1)C(=O)O 17968 [0,2,0,0,0,0|2,0,0]=4 403 B14R1.7626 C[C@](N)(Cc1ccc(F)cc1)C(=O)O 30175 [0,2,0,0,0,0|2,0,0]=4 404 B14R1.42 COC1=C(O)C=CC(CCC(=O)O)=C1 36106 [0,2,0,0,0,0|1,0,0]=3 405 B14R1.42 COC1=C(O)C=CC(CC[N+](=O)[O-])=C1 19446 [0,2,0,0,0,0|2,0,0]=4 406 B12R2.24 BrC1=CC=C2CCC=CC2=C1 25683 [1,0,0,1,0,0|1,0,1]=4 407 B12R2.24 BrC1=CC=C2CCNCC2=C1 24727 [1,0,0,1,0,0|2,0,0]=4 408 B12R2.24 ClC1=CC=C2CCNCC2=C1 31894 [1,0,0,1,0,0|2,0,0]=4 409 B12R2.24 FC1=CC=C2CCNCC2=C1 31895 [1,0,0,1,0,0|2,0,0]=4 410 B12R2.24 NC1=CC=C2CCNCC2=C1 34159 [1,0,0,1,0,0|2,0,0]=4 411 B12R2.24 OC1=CC2=C(C=C1)CCCC2 15404 [1,0,0,1,0,0|0,0,1]=3 412 B12R2.24 OC1=CC2=C(CCNC2)N=C1 17766 [1,0,0,1,0,0|2,0,0]=4 413 B12R2.24 OC1=CC=C2CCCNC2=C1 12787 [1,0,0,1,0,0|1,0,1]=4 414 B12R2.24 OC1=CC=C2CNCCC2=C1 13941 [1,0,0,1,0,0|1,0,1]=4 415 B12R2.24 OC1=CC=C2CNCCC2=C1 8301 [1,0,0,1,0,0|1,0,1]=4 416 B12R2.24 OC1=CC=C2NCCCC2=C1 12785 [1,0,0,1,0,0|1,0,1]=4 417 B12R2.24 OC1=CC=C2OCCCC2=C1 25609 [1,0,0,1,0,0|1,0,1]=4 418 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 8851 [1,0,0,1,0,0|1,0,0]=3 419 B12R2.132 CC1=CNC2=CC=C(O)C=C12 21876 [1,0,0,1,0,0|1,0,1]=4 420 B12R2.132 CC1=NNC2=CC=C(O)C=C21 32538 [1,0,0,1,0,0|2,0,0]=4 421 B12R2.132 NC1=CC=C2COC(=O)C2=C1 6988 [1,0,0,1,0,0|2,0,0]=4 422 B12R2.132 NC1CCC2=CC=C(O)C=C21 23073 [1,0,0,1,0,0|1,0,1]=4 423 B12R2.132 N[C@@H]1CCc2ccc(O)cc21 23068 [1,0,0,1,0,0|1,0,1]=4 424 B12R2.132 O=C1CCC2=CC=C(Br)C=C12 13783 [1,0,0,1,0,0|1,0,0]=3 425 B12R2.132 O=C1CCC2=CC=C(Cl)C=C12 13778 [1,0,0,1,0,0|1,0,0]=3 426 B12R2.132 O=C1CCC2=CC=C(F)C=C12 8856 [1,0,0,1,0,0|1,0,0]=3 427 B12R2.132 O=C1CCC2=CC=C(I)C=C12 17865 [1,0,0,1,0,0|1,0,0]=3 428 B12R2.132 O=C1CCC2=CC=C(O)C=C12 9660 [1,0,0,1,0,0|0,0,0]=2 429 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 17377 [1,0,0,1,0,0|2,0,0]=4 430 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 18004 [1,0,0,1,0,0|2,0,0]=4 431 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 18005 [1,0,0,1,0,0|2,0,0]=4 432 B12R2.132 O=C1COC2=C1C=C(Cl)C=C2 18003 [1,0,0,1,0,0|2,0,0]=4 433 B12R2.132 O=C1NCC2=CC=C(Br)C=C12 27906 [1,0,0,1,0,0|2,0,0]=4 434 B12R2.132 O=C1NCC2=CC=C(Cl)C=C12 16925 [1,0,0,1,0,0|2,0,0]=4 435 B12R2.132 O=C1OCC2=CC=C(Br)C=C12 22582 [1,0,0,1,0,0|2,0,0]=4 436 B12R2.132 O=C1OCC2=CC=C(Cl)C=C12 22575 [1,0,0,1,0,0|2,0,0]=4 437 B12R2.132 O=C1OCC2=CC=C(F)C=C12 22583 [1,0,0,1,0,0|2,0,0]=4 438 B12R2.132 O=C1OCC2=CC=C(O)C=C12 22513 [1,0,0,1,0,0|1,0,0]=3 439 B12R2.606 CC1=CC2=CC(O)=CC=C2N1 8551 [0,0,0,1,1,0|2,0,0]=4 440 B12R2.606 CC1=CC2=CC=C(O)C=C2N1 19945 [0,0,0,1,1,0|1,0,1]=4 441 B12R2.606 CC1=CC=C2NC(=O)CC2=C1 8314 [0,0,0,1,1,0|2,0,0]=4 442 B12R2.606 CC1=NC2=C(C=C(O)C=C2)O1 24256 [0,0,0,1,1,0|1,0,1]=4 443 B12R2.606 CC1=NC2=C(C=C(O)C=C2)S1 17329 [0,0,0,1,1,0|1,1,0]=4 444 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 33731 [0,0,0,1,1,0|2,0,0]=4 445 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 7209 [0,0,0,1,1,0|2,0,0]=4 446 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 7169 [0,0,0,1,1,0|2,0,0]=4 447 B12R2.606 O=C1CC2=CC(Cl)=CC=C2N1 1673 [0,0,0,1,1,0|2,0,0]=4 448 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 1687 [0,0,0,1,1,0|2,0,0]=4 449 B12R2.606 O=C1CC2=CC(O)=CC=C2N1 7348 [0,0,0,1,1,0|1,0,0]=3 450 B12R2.606 O=C1CC2=CC=C(Br)C=C2C1 18044 [0,0,0,1,1,0|1,0,0]=3 451 B12R2.606 O=C1CC2=CC=C(Br)C=C2N1 7320 [0,0,0,1,1,0|2,0,0]=4 452 B12R2.606 O=C1CC2=CC=C(Cl)C=C2C1 18039 [0,0,0,1,1,0|1,0,0]=3 453 B12R2.606 O=C1CC2=CC=C(Cl)C=C2N1 1674 [0,0,0,1,1,0|2,0,0]=4 454 B12R2.606 O=C1CC2=CC=C(F)C=C2C1 18032 [0,0,0,1,1,0|1,0,0]=3 455 B12R2.606 O=C1CC2=CC=C(F)C=C2N1 1688 [0,0,0,1,1,0|2,0,0]=4 456 B12R2.606 O=C1CC2=CC=C(I)C=C2C1 18087 [0,0,0,1,1,0|1,0,0]=3 457 B12R2.606 O=C1OC2=C(C=C(O)C=C2)S1 15342 [0,0,0,1,1,0|2,0,0]=4 458 B14R2.380 O=C1CCNC2=C(C=C(Br)C=C2)N1 31900 [0,0,0,1,0,1|2,0,0]=4 459 B14R2.5816 CC(=O)N1CCC2=CC=C(N)C=C21 14155 [0,0,0,1,0,1|1,0,0]=3 460 B14R2.134 COC1=CC=C2CCC(=O)CC2=C1 18169 [0,1,0,1,0,0|0,0,0]=2 461 B14R2.134 COC1=CC=C2CC[C@H](N)CC2=C1 32029 [0,1,0,1,0,0|1,0,1]=4 462 B14R2.134 COC1=CC=C2OCC(=O)CC2=C1 33816 [0,1,0,1,0,0|1,0,0]=3 463 B14R2.8239 NC1CC2=CC=C(Cl)C=C2NC1=O 14885 [0,1,0,1,0,0|2,0,0]=4 464 B10R1.18 CC(=O)CC1=CC=NC=C1 21323 [1,0,0,0,1,0|1,0,0]=3 465 B10R1.18 CC(=O)CC1=NC=CC=C1 32233 [1,0,0,0,1,0|1,0,0]=3 466 B10R1.18 CC(=O)SC1=CC=CC=C1 15324 [1,0,0,0,1,0|1,0,0]=3 467 B10R1.18 CC(O)CC1=CC=CC=C1 36130 [1,0,0,0,1,0|0,0,2]=4 468 B10R1.18 O=C(Cl)CC1=CC=CC=C1 35236 [1,0,0,0,1,0|1,0,0]=3 469 B10R1.18 O=C(O)CC1=CC=CN=C1 13998 [1,0,0,0,1,0|2,0,0]=4 470 B10R1.18 O=C(O)CC1=CC=NC=C1 14000 [1,0,0,0,1,0|2,0,0]=4 471 B10R1.18 O=C(O)CC1=NC=CC=C1 14404 [1,0,0,0,1,0|2,0,0]=4 472 B10R1.18 O=C([O-])CC1=CC=CC=C1 20019 [1,0,0,0,1,0|1,0,0]=3 473 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 16807 [1,0,0,0,1,0|2,0,0]=4 474 B10R1.18 OC(=S)CC1=CC=CC=C1 10786 [1,0,0,0,1,0|1,0,1]=4 475 B10R1.66 CC(=O)OCC1=CC=CO1 9970 [1,0,0,0,1,0|2,0,0]=4 476 B10R1.66 O=C(O)CCc1cccs1 23928 [1,0,0,0,1,0|2,0,0]=4 477 B10R1.13 C=C(C)C1=CC=C(O)C=C1 27834 [0,0,0,0,2,0|1,0,0]=3 478 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 3294 [0,0,0,0,2,0|1,0,0]=3 479 B10R1.13 CC(=O)C1=CC=C(C)C=C1 3326 [0,0,0,0,2,0|1,0,0]=3 480 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 3297 [0,0,0,0,2,0|1,0,0]=3 481 B10R1.13 CC(=O)C1=CC=C(F)C=C1 10587 [0,0,0,0,2,0|1,0,0]=3 482 B10R1.13 CC(=O)C1=CC=C(I)C=C1 3323 [0,0,0,0,2,0|1,0,0]=3 483 B10R1.13 CC(=O)C1=CC=C(N)C=C1 3288 [0,0,0,0,2,0|1,0,0]=3 484 B10R1.13 CC(=O)C1=CC=C(O)C=C1 3311 [0,0,0,0,2,0|0,0,0]=2 485 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 5959 [0,0,0,0,2,0|2,0,0]=4 486 B10R1.13 CC(=O)C1=CN=C(C)C=C1 14412 [0,0,0,0,2,0|2,0,0]=4 487 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 14411 [0,0,0,0,2,0|2,0,0]=4 488 B10R1.13 CC(=O)C1=CN=C(O)C=C1 29236 [0,0,0,0,2,0|1,0,0]=3 489 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 20326 [0,0,0,0,2,0|2,0,0]=4 490 B10R1.13 CC(=O)C1=NC=C(C)C=C1 16371 [0,0,0,0,2,0|2,0,0]=4 491 B10R1.13 CC(=O)C1=NC=C(N)C=C1 33797 [0,0,0,0,2,0|2,0,0]=4 492 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 15455 [0,0,0,0,2,0|2,0,0]=4 493 B10R1.13 CC1=CC=C(C(=O)O)C=C1 15433 [0,0,0,0,2,0|2,0,0]=4 494 B10R1.13 CC1=CC=C(C(N)=O)C=C1 27569 [0,0,0,0,2,0|2,0,0]=4 495 B10R1.13 CN(C)C1=CC=C(O)C=C1 27800 [0,0,0,0,2,0|2,0,0]=4 496 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 2454 [0,0,0,0,2,0|1,0,1]=4 497 B10R1.13 N=C(N)C1=CC=C(O)C=C1 18174 [0,0,0,0,2,0|2,0,0]=4 498 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 3737 [0,0,0,0,2,0|2,0,0]=4 499 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 3619 [0,0,0,0,2,0|2,0,0]=4 500 B10R1.13 NC(=O)C1=CC=C(F)C=C1 3407 [0,0,0,0,2,0|2,0,0]=4 501 B10R1.13 NC(=O)C1=CC=C(N)C=C1 35461 [0,0,0,0,2,0|2,0,0]=4 502 B10R1.13 NC(=S)C1=CC=C(O)C=C1 13555 [0,0,0,0,2,0|1,1,0]=4 503 B10R1.13 NC1=CC=C(C(=O)O)C=C1 13422 [0,0,0,0,2,0|2,0,0]=4 504 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 16513 [0,0,0,0,2,0|2,0,0]=4 505 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 14145 [0,0,0,0,2,0|2,0,0]=4 506 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 19744 [0,0,0,0,2,0|2,0,0]=4 507 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 27236 [0,0,0,0,2,0|2,0,0]=4 508 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 3741 [0,0,0,0,2,0|2,0,0]=4 509 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 8985 [0,0,0,0,2,0|2,0,0]=4 510 B10R1.13 O=C(O)C1=CC=C(F)C=C1 8221 [0,0,0,0,2,0|2,0,0]=4 511 B10R1.13 O=C(O)C1=CC=C(I)C=C1 3928 [0,0,0,0,2,0|2,0,0]=4 512 B10R1.13 O=C(O)C1=CC=C(O)C=C1 16819 [0,0,0,0,2,0|1,0,0]=3 513 B10R1.13 O=C(O)C1=CC=C(S)C=C1 6842 [0,0,0,0,2,0|1,1,0]=4 514 B10R1.13 O=C(O)C1=CN=C(O)C=C1 15641 [0,0,0,0,2,0|2,0,0]=4 515 B10R1.13 O=C(O)C1=NC=C(O)C=C1 10094 [0,0,0,0,2,0|2,0,0]=4 516 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 19727 [0,0,0,0,2,0|2,0,0]=4 517 B12R1.252 CC(=O)CCCC1=CC=CC=C1 23541 [1,0,0,0,0,1|0,0,0]=2 518 B12R1.252 CC(=O)COCC1=CC=CC=C1 16411 [1,0,0,0,0,1|0,0,0]=2 519 B12R1.252 CC(=O)NCCC1=CC=CC=C1 18566 [1,0,0,0,0,1|0,0,0]=2 520 B12R1.252 NC(=O)NOCC1=CC=CC=C1 19804 [1,0,0,0,0,1|2,0,0]=4 521 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 14437 [1,0,0,0,0,1|1,0,0]=3 522 B12R1.252 O=C(O)CCSC1=CC=CC=C1 19766 [1,0,0,0,0,1|1,0,0]=3 523 B12R1.252 O=C(O)CNCC1=CC=CC=C1 23196 [1,0,0,0,0,1|1,0,0]=3 524 B12R1.252 O=C(O)COCC1=CC=CC=C1 28933 [1,0,0,0,0,1|1,0,0]=3 525 B12R1.252 O=C(O)CSCC1=CC=CC=C1 25337 [1,0,0,0,0,1|1,0,0]=3 526 B14R1.677 O=C(O)CCCCC1=CC=C(O)C=C1 16852 [0,0,0,0,0,2|1,0,0]=3