0 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 B64382 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 P68581 [0,0,0,0,0,0|0,0,2]=2 2 B10R1.15 C=C(CC)C1=CC=CC=C1 B52673 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.15 C=C[S@](=O)C1=CC=CC=C1 V62500 [0,0,0,0,0,0|1,0,3]=4 4 B10R1.15 CCC(=O)C1=CN=CC=C1 P49262 [0,0,0,0,0,0|1,0,2]=3 5 B10R1.15 CCC(=O)C1=NC=CC=N1 P61892 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.15 CCC(=O)C1=NC=CN=C1 P14589 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.15 CC[C@@H](N)C1=NC=CC=C1 P49666 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.15 CC[C@H](N)C1=CC=CN=C1 P46964 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P14590 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.15 CC[C@H](N)C1=NC=CN=C1 P27649 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M50312 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M52164 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.15 COC(=O)C1=CC=NC=C1 M64933 [0,0,0,0,0,0|2,0,2]=4 15 B10R1.15 COC(=O)C1=NC=CC=C1 M28469 [0,0,0,0,0,0|2,0,2]=4 16 B10R1.15 CO[S@@](=O)C1=CC=CC=C1 M46243 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P37912 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P39584 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P60945 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 P10845 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 B48763 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A67914 [0,0,0,0,0,0|1,0,0]=1 23 B10R1.15 NC[C@@H](O)C1=CN=CC=C1 A46466 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.15 NC[C@H](N)C1=CC=CC=C1 P49663 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.15 NC[C@H](O)C1=NC=CC=C1 A46589 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.15 NNC(=O)C1=CC=CC=C1 B69029 [0,0,0,0,0,0|2,0,2]=4 27 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 A67686 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 P39434 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.15 N[C@H](CO)C1=CC=CC=C1 A37812 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.15 O=C(CBr)C1=CN=CC=C1 B68250 [0,0,0,0,0,0|2,0,2]=4 31 B10R1.15 O=C(CBr)C1=NC=CC=C1 B45477 [0,0,0,0,0,0|2,0,2]=4 32 B10R1.15 O=C(CCl)C1=CN=CC=C1 C45489 [0,0,0,0,0,0|2,0,2]=4 33 B10R1.15 O=C(CO)C1=CC=CC=C1 H67472 [0,0,0,0,0,0|1,0,2]=3 34 B10R1.15 O=CC(=O)C1=CC=CC=C1 P48113 [0,0,0,0,0,0|1,0,3]=4 35 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P46829 [0,0,0,0,0,0|1,0,0]=1 36 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P46828 [0,0,0,0,0,0|1,0,0]=1 37 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 C49445 [0,0,0,0,0,0|1,0,0]=1 38 B9R1.6 CC(C)C1=NC=CC=C1 I0627 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.6 CN(C)C1=CC=NC=C1 P68104 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.6 C[C@@H](N)C1=CC=CC=C1 P68072 [1,0,0,0,0,0|1,0,0]=2 41 B9R1.6 C[C@@H](N)C1=CC=CN=C1 P43620 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P43606 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P46584 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.6 C[C@@H](N)C1=CN=CN=C1 A12922 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.6 C[C@@H](N)C1=CN=CN=C1 P27095 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P43619 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P46583 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.6 C[C@@H](O)C1=CC=CC=C1 P46824 [1,0,0,0,0,0|0,0,0]=1 49 B9R1.6 C[C@@H](O)C1=CC=NC=C1 P46383 [1,0,0,0,0,0|1,0,0]=2 50 B9R1.6 C[C@@H](O)C1=NC=CC=C1 P46382 [1,0,0,0,0,0|1,0,0]=2 51 B9R1.6 C[C@H](Br)C1=NC=CN=C1 B42963 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.6 C[C@H](N)C1=CC=CC=C1 P68597 [1,0,0,0,0,0|1,0,0]=2 53 B9R1.6 C[C@H](N)C1=CC=CC=C1 P69271 [1,0,0,0,0,0|1,0,0]=2 54 B9R1.6 C[C@H](N)C1=CC=CN=C1 P43604 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.6 C[C@H](N)C1=CC=CN=C1 P46585 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.6 C[C@H](N)C1=CC=CN=C1 P61653 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.6 C[C@H](N)C1=CC=NC=C1 P43607 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.6 C[C@H](N)C1=CC=NC=C1 P46582 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.6 C[C@H](N)C1=CN=CN=C1 A12921 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.6 C[C@H](N)C1=CN=CN=C1 A7447 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.6 C[C@H](N)C1=CN=NC=C1 P30996 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.6 C[C@H](N)C1=NC=CC=C1 P43621 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.6 C[C@H](N)C1=NC=CC=C1 P66366 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.6 C[C@H](N)C1=NC=CC=N1 P36807 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.6 C[C@H](N)C1=NC=CN=C1 P14583 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.6 C[C@H](N)C1=NC=NC=C1 A12259 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.6 C[C@H](O)C1=CC=CC=C1 P46823 [1,0,0,0,0,0|0,0,0]=1 68 B9R1.6 C[C@H](O)C1=CC=NC=C1 P38118 [1,0,0,0,0,0|1,0,0]=2 69 B9R1.6 C[C@H](O)C1=NC=CC=C1 P46375 [1,0,0,0,0,0|1,0,0]=2 70 B9R1.6 C[C@H](O)C1=NC=CN=C1 P43187 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.6 C[S@](=O)C1=CC=CC=C1 M61814 [1,0,0,0,0,0|1,0,1]=3 72 B9R1.6 C[S@](=O)C1=NC=CC=C1 M43172 [1,0,0,0,0,0|2,0,1]=4 73 B9R1.6 N=C(N)C1=CC=CC=C1 B39428 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.6 NC(=O)C1=CC=CC=C1 B69845 [1,0,0,0,0,0|1,0,2]=4 75 B9R1.6 O=C(O)C1=NC=CC=C1 P62145 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.6 O=[S@]([O-])C1=CC=CC=C1 S68689 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.6 OB(O)C1=CC=NC=C1 P5100 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.6 OB(O)C1=CN=CC=C1 P5080 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.6 OB(O)C1=NC=CC=C1 P36680 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.8 BrCCC1=CC=NC=C1 B46088 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.8 CC#CC1=CC=CC=C1 P68608 [1,0,0,0,0,0|0,0,2]=3 82 B9R1.8 CCCC1=NC=CC=C1 P46859 [1,0,0,0,0,0|1,0,0]=2 83 B9R1.8 CCCC1=NC=CN=C1 P43598 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.8 CCNC1=NC=CN=C1 E43330 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.8 CCOC1=NC=CC=C1 E46369 [1,0,0,0,0,0|2,0,0]=3 86 B9R1.8 CNCC1=CC=NC=C1 M43623 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.8 CNCC1=CN=CN=C1 N11436 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.8 CNCC1=CN=NC=C1 M12238 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.8 CNCC1=CN=NC=C1 M27035 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.8 CNCC1=NC=CC=N1 M14362 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.8 CNCC1=NC=CC=N1 M31227 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.8 CNCC1=NC=CN=C1 M14584 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.8 CNNC1=CC=CC=C1 M46459 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.8 COCC1=NC=CC=C1 M46377 [1,0,0,0,0,0|2,0,0]=3 95 B9R1.8 C\C=C\C1=CC=CC=C1 P62367 [1,0,0,0,0,0|0,0,2]=3 96 B9R1.8 IC#CC1=CC=CC=C1 I1886 [1,0,0,0,0,0|1,0,2]=4 97 B9R1.8 N#CCC1=CN=CC=C1 P38543 [1,0,0,0,0,0|2,0,1]=4 98 B9R1.8 N#CCC1=NC=CC=C1 P45196 [1,0,0,0,0,0|2,0,1]=4 99 B9R1.8 N#COC1=CC=CC=C1 P44923 [1,0,0,0,0,0|2,0,1]=4 100 B9R1.8 NCCC1=CC=CN=C1 P43605 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.8 NCCC1=NC=CC=C1 P67673 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.8 NCCC1=NC=NC=C1 P14666 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.8 NCCC1=NC=NC=C1 P29961 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.8 NNCC1=CC=CC=C1 B6123 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.8 NNCC1=CC=CC=C1 B68081 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.8 NNCC1=CC=CN=C1 H0097 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.8 NNCC1=CC=CN=C1 H36962 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.8 NNCC1=CC=NC=C1 H0096 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.8 NNCC1=CC=NC=C1 H26285 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.8 NNCC1=NC=CC=C1 H0098 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.8 NOCC1=CC=CC=C1 B68114 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.8 O=COC1=CC=CC=C1 P45508 [1,0,0,0,0,0|2,0,1]=4 113 B9R1.8 OCCC1=CC=NC=C1 H46381 [1,0,0,0,0,0|2,0,0]=3 114 B9R1.8 OCCC1=CN=CC=C1 P46376 [1,0,0,0,0,0|2,0,0]=3 115 B9R1.8 OCCC1=NC=CN=C1 P24824 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.8 ONCC1=CC=CC=C1 B36744 [1,0,0,0,0,0|2,0,0]=3 117 B9R1.8 ONCC1=CC=CC=C1 B46575 [1,0,0,0,0,0|2,0,0]=3 118 B9R1.8 O\N=C\C1=CC=CC=C1 B61148 [1,0,0,0,0,0|2,0,1]=4 119 B9R1.8 S=C=NC1=CC=CC=C1 T64712 [1,0,0,0,0,0|2,0,1]=4 120 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B66761 [1,0,0,0,0,0|1,0,1]=3 121 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [1,0,0,0,0,0|1,0,0]=2 122 B11R1.7 C#CC(C)(C)C1=CC=CC=C1 M64383 [0,1,0,0,0,0|1,0,2]=4 123 B11R1.7 C#C[C@@](C)(O)C1=CC=CC=C1 P52408 [0,1,0,0,0,0|0,0,2]=3 124 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 M62343 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.7 CC(C)(CN)C1=CC=CC=C1 M53116 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 M46268 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.7 NCC(F)(F)C1=NC=CC=C1 D64291 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.7 NCC(F)(F)C1=NC=CC=C1 P12649 [0,1,0,0,0,0|3,0,0]=4 129 B11R1.7 O=S(=O)(CCl)C1=CC=CC=C1 C45914 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.7 OCC(F)(F)C1=NC=CC=C1 D1557 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.12 CCB(CC)C1=CC=CN=C1 D50430 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.12 CN[C@H](CO)C1=CC=CC=C1 M52180 [0,1,0,0,0,0|1,0,0]=2 133 B11R1.12 COB(OC)C1=NC=CC=C1 P5060 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.12 COC(OC)C1=CC=CC=C1 B69843 [0,1,0,0,0,0|1,0,0]=2 135 B11R1.12 COC(OC)C1=NC=NC=C1 D14447 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.12 CO[C@@H](CO)C1=CC=CC=C1 M50282 [0,1,0,0,0,0|1,0,0]=2 137 B11R1.12 OCC(CO)C1=CC=CC=C1 P67660 [0,1,0,0,0,0|1,0,0]=2 138 B11R1.16 C=CC[C@@H](N)C1=CC=CC=C1 P54139 [0,1,0,0,0,0|1,0,1]=3 139 B11R1.16 CC=CC(=O)C1=CC=CC=C1 P68339 [0,1,0,0,0,0|0,0,3]=4 140 B11R1.16 CCCC(=O)C1=CN=CC=C1 P50020 [0,1,0,0,0,0|1,0,2]=4 141 B11R1.16 CCCC(=O)C1=NC=CC=C1 B50017 [0,1,0,0,0,0|1,0,2]=4 142 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 P54182 [0,1,0,0,0,0|1,0,0]=2 143 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 P37698 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 P52255 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.16 CCOC(=N)C1=CC=NC=C1 E46648 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.16 CCOC(=O)C1=CC=NC=C1 E69401 [0,1,0,0,0,0|1,0,2]=4 147 B11R1.16 CCOC(=O)C1=CN=CC=C1 E68695 [0,1,0,0,0,0|1,0,2]=4 148 B11R1.16 CCOC(=O)C1=NC=CC=C1 E67964 [0,1,0,0,0,0|1,0,2]=4 149 B11R1.16 CCO[P@@H](=O)C1=CC=CC=C1 E46942 [0,1,0,0,0,0|1,0,1]=3 150 B11R1.16 CN(CCN)C1=CC=CC=C1 M52257 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.16 CN(CCO)C1=CC=CC=C1 M50351 [0,1,0,0,0,0|2,0,0]=3 152 B11R1.16 N#CCC(=O)C1=CC=CC=C1 X67635 [0,1,0,0,0,0|0,0,3]=4 153 B11R1.16 N#CC[C@H](O)C1=CC=CC=C1 H51766 [0,1,0,0,0,0|0,0,1]=2 154 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 A55426 [0,1,0,0,0,0|0,0,0]=1 155 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A37972 [0,1,0,0,0,0|1,0,0]=2 156 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A50352 [0,1,0,0,0,0|1,0,0]=2 157 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 H69256 [0,1,0,0,0,0|1,0,0]=2 158 B11R1.16 O=C(OCCl)C1=CC=CC=C1 C48587 [0,1,0,0,0,0|1,0,2]=4 159 B11R1.16 OCC[C@H](O)C1=NC=CC=C1 P46920 [0,1,0,0,0,0|1,0,0]=2 160 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C50162 [0,1,0,0,0,0|0,0,0]=1 161 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C69270 [0,1,0,0,0,0|0,0,0]=1 162 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 C50160 [0,1,0,0,0,0|0,0,0]=1 163 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 B52024 [0,1,0,0,0,0|1,0,2]=4 164 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 A52107 [0,1,0,0,0,0|1,0,2]=4 165 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 A52174 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 B16168 [0,1,0,0,0,0|0,0,2]=3 167 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 F39582 [0,1,0,0,0,0|0,0,2]=3 168 B11R1.22 CCC(=O)C1=CC=C(I)C=C1 K52052 [0,1,0,0,0,0|0,0,2]=3 169 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 T54185 [0,1,0,0,0,0|1,0,0]=2 170 B11R1.22 CC[C@@H](N)C1=CC=C(Cl)C=C1 C50244 [0,1,0,0,0,0|1,0,0]=2 171 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 F52146 [0,1,0,0,0,0|1,0,0]=2 172 B11R1.22 CC[C@H](C)C1=CC=C(Br)C=C1 B39008 [0,1,0,0,0,0|1,0,0]=2 173 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50231 [0,1,0,0,0,0|1,0,0]=2 174 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50235 [0,1,0,0,0,0|1,0,0]=2 175 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 C37034 [0,1,0,0,0,0|1,0,0]=2 176 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52142 [0,1,0,0,0,0|1,0,0]=2 177 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52149 [0,1,0,0,0,0|1,0,0]=2 178 B11R1.22 CNC(=O)C1=CC=C(Br)C=C1 B49023 [0,1,0,0,0,0|1,0,2]=4 179 B11R1.22 CNC(=O)C1=CC=C(I)C=C1 K63815 [0,1,0,0,0,0|1,0,2]=4 180 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 A69158 [0,1,0,0,0,0|1,0,2]=4 181 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 B50237 [0,1,0,0,0,0|2,0,0]=3 182 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 C50248 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.22 CN[C@H](C)C1=CC=C(Cl)C=C1 C50247 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 M39489 [0,1,0,0,0,0|1,0,2]=4 185 B11R1.22 COC(=O)C1=CC=C(C)C=C1 M60598 [0,1,0,0,0,0|1,0,2]=4 186 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 M64818 [0,1,0,0,0,0|1,0,2]=4 187 B11R1.22 COC(=O)C1=CC=C(F)C=C1 M67923 [0,1,0,0,0,0|1,0,2]=4 188 B11R1.22 C[C@@H](CN)C1=CC=C(O)C=C1 A28643 [0,1,0,0,0,0|2,0,0]=3 189 B11R1.22 C[C@H](C#N)C1=CC=C(Br)C=C1 B51451 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 B49032 [0,1,0,0,0,0|1,0,2]=4 191 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 A49045 [0,1,0,0,0,0|1,0,2]=4 192 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 A49617 [0,1,0,0,0,0|1,0,2]=4 193 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A38341 [0,1,0,0,0,0|2,0,0]=3 194 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A46796 [0,1,0,0,0,0|2,0,0]=3 195 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A46798 [0,1,0,0,0,0|2,0,0]=3 196 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 A46808 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 A46813 [0,1,0,0,0,0|2,0,0]=3 198 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 A46818 [0,1,0,0,0,0|2,0,0]=3 199 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 A49527 [0,1,0,0,0,0|2,0,0]=3 200 B11R1.22 N[C@@H](CO)C1=CN=C(Cl)C=C1 A46332 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.22 N[C@@H](CO)C1=NC=C(F)C=C1 A37122 [0,1,0,0,0,0|3,0,0]=4 202 B11R1.22 N[C@H](CO)C1=CC=C(Br)C=C1 A46797 [0,1,0,0,0,0|2,0,0]=3 203 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 A46811 [0,1,0,0,0,0|2,0,0]=3 204 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 A46821 [0,1,0,0,0,0|2,0,0]=3 205 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 A49517 [0,1,0,0,0,0|2,0,0]=3 206 B11R1.22 N[C@H](CO)C1=CC=C(O)C=C1 A49528 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 B48246 [0,1,0,0,0,0|1,0,2]=4 208 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 C69024 [0,1,0,0,0,0|1,0,2]=4 209 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 B49377 [0,1,0,0,0,0|1,0,0]=2 210 B11R1.23 CC1=CC=CC(C(=O)CBr)=C1 B52023 [0,1,0,0,0,0|1,0,2]=4 211 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 A50349 [0,1,0,0,0,0|2,0,0]=3 212 B11R1.23 CC1=CC=CC([C@H](N)CO)=C1 A50350 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.23 CC1=CC=CC([C@H](N)CO)=C1 A52173 [0,1,0,0,0,0|2,0,0]=3 214 B11R1.23 CCC(=O)C1=CC(O)=CC=C1 H49893 [0,1,0,0,0,0|0,0,2]=3 215 B11R1.23 CCC(=O)C1=CC=CC(Br)=N1 B61988 [0,1,0,0,0,0|1,0,2]=4 216 B11R1.23 CCC(=O)C1=CC=CC(F)=C1 F38669 [0,1,0,0,0,0|0,0,2]=3 217 B11R1.23 CCC(=O)C1=NC=CC(Cl)=C1 C49039 [0,1,0,0,0,0|1,0,2]=4 218 B11R1.23 CC[C@@H](N)C1=CC(C)=CC=C1 T54183 [0,1,0,0,0,0|1,0,0]=2 219 B11R1.23 CC[C@@H](N)C1=CC=CC(F)=C1 F52145 [0,1,0,0,0,0|1,0,0]=2 220 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 B50234 [0,1,0,0,0,0|1,0,0]=2 221 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 F52148 [0,1,0,0,0,0|1,0,0]=2 222 B11R1.23 CNC(=O)C1=CC=CC(Br)=C1 B69408 [0,1,0,0,0,0|1,0,2]=4 223 B11R1.23 CN[C@@H](C)C1=CC=CC(Br)=C1 B50236 [0,1,0,0,0,0|2,0,0]=3 224 B11R1.23 COC(=O)C1=CC(N)=CC=C1 M69084 [0,1,0,0,0,0|1,0,2]=4 225 B11R1.23 COC(=O)C1=CC(O)=CC=C1 M37841 [0,1,0,0,0,0|1,0,2]=4 226 B11R1.23 COC(=O)C1=CC=CC(Br)=C1 M48565 [0,1,0,0,0,0|1,0,2]=4 227 B11R1.23 COC(=O)C1=CC=CC(Cl)=C1 M22864 [0,1,0,0,0,0|1,0,2]=4 228 B11R1.23 COC(=O)C1=CC=CC(F)=C1 M39493 [0,1,0,0,0,0|1,0,2]=4 229 B11R1.23 COC(=O)C1=CC=CC(I)=C1 M48629 [0,1,0,0,0,0|1,0,2]=4 230 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 A46787 [0,1,0,0,0,0|2,0,0]=3 231 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 A46801 [0,1,0,0,0,0|2,0,0]=3 232 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 A46803 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 A64410 [0,1,0,0,0,0|2,0,0]=3 234 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 A66336 [0,1,0,0,0,0|2,0,0]=3 235 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 A49514 [0,1,0,0,0,0|2,0,0]=3 236 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=N1 A46570 [0,1,0,0,0,0|3,0,0]=4 237 B11R1.23 N[C@@H](CO)C1=CC=CC(O)=C1 A49526 [0,1,0,0,0,0|2,0,0]=3 238 B11R1.23 N[C@H](CO)C1=CC=CC(Br)=C1 A46799 [0,1,0,0,0,0|2,0,0]=3 239 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 A46804 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 A46810 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 A46820 [0,1,0,0,0,0|2,0,0]=3 242 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 A49516 [0,1,0,0,0,0|2,0,0]=3 243 B11R1.23 N[C@H](CO)C1=CC=CC(I)=C1 A11985 [0,1,0,0,0,0|2,0,0]=3 244 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 B48248 [0,1,0,0,0,0|1,0,2]=4 245 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 B48255 [0,1,0,0,0,0|1,0,2]=4 246 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 B68743 [0,1,0,0,0,0|1,0,2]=4 247 B11R1.23 O=C(CBr)C1=CC=CC(Br)=C1 B68490 [0,1,0,0,0,0|1,0,2]=4 248 B11R1.23 OC[C@H](O)C1=CC=CC(Cl)=C1 C49388 [0,1,0,0,0,0|1,0,0]=2 249 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 C36827 [0,1,0,0,0,0|1,0,0]=2 250 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 P69231 [0,1,0,0,0,0|0,0,3]=4 251 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 B39601 [0,1,0,0,0,0|0,0,2]=3 252 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 M39089 [0,1,0,0,0,0|1,0,0]=2 253 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M36968 [0,1,0,0,0,0|1,0,0]=2 254 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M53117 [0,1,0,0,0,0|1,0,0]=2 255 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 P49885 [0,1,0,0,0,0|2,0,1]=4 256 B11R1.36 C[C@@H](O)[C@@H](N)C1=CC=CC=C1 A52178 [0,1,0,0,0,0|1,0,0]=2 257 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 A52176 [0,1,0,0,0,0|1,0,0]=2 258 B11R1.36 C[C@H](Br)C(=O)C1=CC=CC=C1 B52026 [0,1,0,0,0,0|0,0,2]=3 259 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 P36930 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.36 C[C@H](O)[C@@H](N)C1=CC=CC=C1 A52179 [0,1,0,0,0,0|1,0,0]=2 261 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 A52177 [0,1,0,0,0,0|1,0,0]=2 262 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 A69457 [0,1,0,0,0,0|2,0,1]=4 263 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 A69199 [0,1,0,0,0,0|2,0,1]=4 264 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 A68336 [0,1,0,0,0,0|2,0,1]=4 265 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 A69083 [0,1,0,0,0,0|2,0,1]=4 266 B11R1.36 O=C(C1=CC=CC=C1)C(F)F D63183 [0,1,0,0,0,0|1,0,2]=4 267 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M64934 [0,1,0,0,0,0|1,0,1]=3 268 B11R1.36 O=C(O)[C@H](Cl)C1=CC=CC=C1 C48589 [0,1,0,0,0,0|2,0,1]=4 269 B11R1.222 CC1=C([C@H](C)C#N)C=CC=C1 T52504 [0,1,0,0,0,0|2,0,1]=4 270 B11R1.222 CCC(=O)C1=C(C)C=CC=C1 M52778 [0,1,0,0,0,0|0,0,2]=3 271 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 C52038 [0,1,0,0,0,0|0,0,2]=3 272 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 H39530 [0,1,0,0,0,0|0,0,2]=3 273 B11R1.222 CC[C@@H](N)C1=C(C)C=CC=C1 T54184 [0,1,0,0,0,0|1,0,0]=2 274 B11R1.222 CC[C@H](C)C1=C(N)C=CC=C1 B53112 [0,1,0,0,0,0|1,0,0]=2 275 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 C50243 [0,1,0,0,0,0|1,0,0]=2 276 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 F52141 [0,1,0,0,0,0|1,0,0]=2 277 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 F52147 [0,1,0,0,0,0|1,0,0]=2 278 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 A52170 [0,1,0,0,0,0|1,0,0]=2 279 B11R1.222 CNC(=O)C1=C(Br)C=CC=C1 B49022 [0,1,0,0,0,0|1,0,2]=4 280 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 A67666 [0,1,0,0,0,0|1,0,2]=4 281 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 M64518 [0,1,0,0,0,0|1,0,2]=4 282 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 M39488 [0,1,0,0,0,0|1,0,2]=4 283 B11R1.222 COC(=O)C1=C(C)C=CC=C1 M39531 [0,1,0,0,0,0|1,0,2]=4 284 B11R1.222 COC(=O)C1=C(F)C=CC=C1 M69073 [0,1,0,0,0,0|1,0,2]=4 285 B11R1.222 COC(=O)C1=C(I)C=CC=C1 M67835 [0,1,0,0,0,0|1,0,2]=4 286 B11R1.222 COC(=O)C1=C(S)C=CC=C1 M69035 [0,1,0,0,0,0|1,0,2]=4 287 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 A69482 [0,1,0,0,0,0|1,0,2]=4 288 B11R1.222 N[C@@H](CO)C1=C(Cl)C=NC=C1 A46331 [0,1,0,0,0,0|3,0,0]=4 289 B11R1.222 N[C@H](CO)C1=C(Cl)C=CC=C1 A46809 [0,1,0,0,0,0|2,0,0]=3 290 B11R1.222 N[C@H](CO)C1=C(F)C=CC=C1 A46819 [0,1,0,0,0,0|2,0,0]=3 291 B11R1.222 N[C@H](CO)C1=C(F)C=CC=C1 A49515 [0,1,0,0,0,0|2,0,0]=3 292 B11R1.222 O=C(CBr)C1=C(Cl)C=CC=C1 B60597 [0,1,0,0,0,0|1,0,2]=4 293 B11R1.222 O=C(CBr)C1=C(F)C=CC=C1 B48254 [0,1,0,0,0,0|1,0,2]=4 294 B11R1.222 O=C(CBr)C1=C(O)C=CC=C1 B48582 [0,1,0,0,0,0|1,0,2]=4 295 B11R1.222 O=C(CF)C1=C(F)C=CC=C1 F48290 [0,1,0,0,0,0|1,0,2]=4 296 B11R2.1 CC1=CCC2=C1C=CC=C2 M52270 [0,0,0,1,0,0|1,0,2]=4 297 B11R2.1 C[C@H]1CCC2=NC=CN=C21 M46644 [0,0,0,1,0,0|3,0,0]=4 298 B11R2.1 NC1=NCC2=C1C=CC=C2 K49609 [0,0,0,1,0,0|2,0,1]=4 299 B11R2.1 NC1=NCC2=C1C=CC=C2 K64548 [0,0,0,1,0,0|2,0,1]=4 300 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 D37063 [0,0,0,1,0,0|1,0,0]=2 301 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52091 [0,0,0,1,0,0|1,0,0]=2 302 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52092 [0,0,0,1,0,0|1,0,0]=2 303 B11R2.1 N[C@H]1CCC2=CC=CN=C21 D49490 [0,0,0,1,0,0|2,0,0]=3 304 B11R2.1 N[C@H]1COC2=NC=CC=C21 D64566 [0,0,0,1,0,0|3,0,0]=4 305 B11R2.1 O=C1CCC2=C1C=CC=N2 D5364 [0,0,0,1,0,0|1,0,2]=4 306 B11R2.1 O=C1CCC2=C1C=CN=C2 C23220 [0,0,0,1,0,0|1,0,2]=4 307 B11R2.1 O=C1CCC2=C1C=NC=C2 C24049 [0,0,0,1,0,0|1,0,2]=4 308 B11R2.1 O=C1CCC2=CC=CN=C12 C48452 [0,0,0,1,0,0|1,0,2]=4 309 B11R2.1 O=C1NCC2=C1C=CC=C2 I12007 [0,0,0,1,0,0|1,0,2]=4 310 B11R2.1 OB1OCC2=C1C=CC=C2 H3680 [0,0,0,1,0,0|2,0,0]=3 311 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 D68576 [0,0,0,1,0,0|0,0,0]=1 312 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D60804 [0,0,0,1,0,0|0,0,0]=1 313 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D68574 [0,0,0,1,0,0|0,0,0]=1 314 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D67550 [0,0,0,1,0,0|1,0,0]=2 315 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 P22144 [0,0,0,1,0,0|2,0,0]=3 316 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P24205 [0,0,0,1,0,0|2,0,0]=3 317 B11R2.40 NC1(C2=CC=CC=C2)CC1 P64329 [0,0,0,1,0,0|1,0,0]=2 318 B11R2.40 NC1(C2=CC=CN=C2)CC1 P49656 [0,0,0,1,0,0|2,0,0]=3 319 B11R2.40 NC1(C2=CC=NC=C2)CC1 P8762 [0,0,0,1,0,0|2,0,0]=3 320 B11R2.40 NC1(C2=NC=CC=C2)CC1 P61647 [0,0,0,1,0,0|2,0,0]=3 321 B11R2.40 NC1(C2=NC=CC=N2)CC1 P14441 [0,0,0,1,0,0|3,0,0]=4 322 B11R2.40 NC1(C2=NC=CC=N2)CC1 P31233 [0,0,0,1,0,0|3,0,0]=4 323 B11R2.40 NC1(C2=NC=CN=C2)CC1 P14585 [0,0,0,1,0,0|3,0,0]=4 324 B11R2.239 C1=CN=CC(C2CNC2)=C1 A49655 [0,0,0,1,0,0|3,0,0]=4 325 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 B49879 [0,0,0,1,0,0|2,0,0]=3 326 B9R1.11 N[C@@H](CO)C1=CC=CS1 A43554 [0,0,0,0,1,0|3,0,0]=4 327 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 P52407 [0,0,0,0,0,1|0,0,2]=3 328 B11R1.40 COC(=O)OC1=CC=CC=C1 M37596 [0,0,0,0,0,1|1,0,2]=4 329 B11R1.40 C[C@@H](C#N)NC1=CC=CC=C1 P38171 [0,0,0,0,0,1|2,0,1]=4 330 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 P69082 [0,0,0,0,0,1|2,0,0]=3 331 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 A38136 [0,0,0,0,0,1|2,0,0]=3 332 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P64903 [0,0,0,0,0,1|2,0,0]=3 333 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B49021 [0,0,0,0,0,1|1,0,2]=4 334 B11R1.40 O=C(CBr)NC1=CC=CC=C1 B64861 [0,0,0,0,0,1|1,0,2]=4 335 B11R1.40 O=C(CBr)OC1=CC=CC=C1 P48564 [0,0,0,0,0,1|1,0,2]=4 336 B11R1.40 O=C(CCl)NC1=CC=CC=C1 C38641 [0,0,0,0,0,1|1,0,2]=4 337 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 B50151 [0,0,0,0,0,1|2,0,0]=3 338 B11R1.40 OC[C@@H](Cl)CC1=CC=CC=C1 C50161 [0,0,0,0,0,1|2,0,0]=3 339 B8R1.2 BrCC1=CC=NC=C1 B36897 [2,0,0,0,0,0|2,0,0]=4 340 B8R1.2 BrCC1=CN=CC=C1 B23879 [2,0,0,0,0,0|2,0,0]=4 341 B8R1.2 BrCC1=NC=CC=C1 B42841 [2,0,0,0,0,0|2,0,0]=4 342 B8R1.2 CCC1=NC=CN=C1 E43180 [2,0,0,0,0,0|2,0,0]=4 343 B8R1.2 CNC1=CC=CN=C1 M38086 [2,0,0,0,0,0|2,0,0]=4 344 B8R1.2 CNC1=CC=NC=C1 M68620 [2,0,0,0,0,0|2,0,0]=4 345 B8R1.2 COC1=CC=NC=C1 M9391 [2,0,0,0,0,0|2,0,0]=4 346 B8R1.2 COC1=CN=CC=C1 M67978 [2,0,0,0,0,0|2,0,0]=4 347 B8R1.2 COC1=NC=CC=C1 M39277 [2,0,0,0,0,0|2,0,0]=4 348 B8R1.2 ClCC1=CC=NC=C1 C68845 [2,0,0,0,0,0|2,0,0]=4 349 B8R1.2 ClCC1=NC=CC=C1 C67870 [2,0,0,0,0,0|2,0,0]=4 350 B8R1.2 NCC1=CC=CN=C1 A69257 [2,0,0,0,0,0|2,0,0]=4 351 B8R1.2 NCC1=CC=NC=C1 P67743 [2,0,0,0,0,0|2,0,0]=4 352 B8R1.2 NNC1=CC=CC=C1 P68696 [2,0,0,0,0,0|2,0,0]=4 353 B8R1.2 NOC1=CC=CC=C1 P43533 [2,0,0,0,0,0|2,0,0]=4 354 B8R1.2 OCC1=CC=NC=C1 P43429 [2,0,0,0,0,0|1,0,0]=3 355 B8R1.2 OCC1=CC=NC=C1 P67894 [2,0,0,0,0,0|1,0,0]=3 356 B8R1.2 OCC1=CN=CC=C1 P15946 [2,0,0,0,0,0|1,0,0]=3 357 B8R1.2 OCC1=CN=CN=C1 P0145 [2,0,0,0,0,0|2,0,0]=4 358 B8R1.2 OCC1=NC=CC=C1 P69303 [2,0,0,0,0,0|1,0,0]=3 359 B8R1.2 OCC1=NC=CC=N1 P0151 [2,0,0,0,0,0|2,0,0]=4 360 B8R1.2 OCC1=NC=CN=C1 P0147 [2,0,0,0,0,0|2,0,0]=4 361 B8R1.2 OCC1=NC=NC=C1 P0160 [2,0,0,0,0,0|2,0,0]=4 362 B8R1.2 OCC1=NN=CC=C1 P0155 [2,0,0,0,0,0|2,0,0]=4 363 B8R1.2 ONC1=CC=CC=C1 P67873 [2,0,0,0,0,0|1,0,0]=3 364 B10R1.13 C=C(C)C1=CC=C(F)C=C1 F51670 [1,1,0,0,0,0|1,0,1]=4 365 B10R1.13 C=C(C)C1=CC=C(O)C=C1 P49877 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M68572 [1,1,0,0,0,0|0,0,2]=4 367 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C68865 [1,1,0,0,0,0|0,0,2]=4 368 B10R1.13 CC(=O)C1=CC=C(F)C=C1 F38426 [1,1,0,0,0,0|0,0,2]=4 369 B10R1.13 CC(=O)C1=CC=C(I)C=C1 K39500 [1,1,0,0,0,0|0,0,2]=4 370 B10R1.13 CC(=O)C1=CC=C(N)C=C1 A68181 [1,1,0,0,0,0|0,0,2]=4 371 B10R1.13 CC(=O)C1=CC=C(O)C=C1 H64899 [1,1,0,0,0,0|0,0,2]=4 372 B10R1.13 CC(C)C1=CC=C(Br)C=C1 B49963 [1,1,0,0,0,0|1,0,0]=3 373 B10R1.13 CC(C)C1=CC=C(N)C=C1 P69319 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.13 CC(C)C1=CC=C(O)C=C1 P60863 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.13 CC(C)C1=CC=C([Mg+])C=C1 P31759 [1,1,0,0,0,0|1,0,0]=3 376 B10R1.13 CC(C)C1=CN=C(Br)C=C1 B46728 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.13 CC(C)C1=CN=C(N)C=C1 P24474 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.13 CC(C)C1=NC=C(Br)C=C1 B32058 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.13 CC(C)C1=NC=C(N)C=C1 A12160 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.13 CC1=CC=C(B(O)O)C=C1 T5215 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.13 CC1=CC=C(C(=O)O)C=C1 M64877 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.13 CC1=CC=C(C(C)C)C=C1 D60786 [1,1,0,0,0,0|1,0,0]=3 383 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T52161 [1,1,0,0,0,0|1,0,0]=3 384 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T60511 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.13 CC1=CC=C([C@@H](C)O)C=C1 T50271 [1,1,0,0,0,0|0,0,0]=2 386 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 M65785 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 M49667 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.13 CC1=NC=C([C@H](C)O)C=C1 H64312 [1,1,0,0,0,0|1,0,0]=3 389 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 C46751 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.13 CN(C)C1=CC=C(I)C=C1 K46770 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.13 CN(C)C1=CC=C([Mg+])C=C1 D31762 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 B38580 [1,1,0,0,0,0|1,0,0]=3 393 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 C64533 [1,1,0,0,0,0|1,0,0]=3 394 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 F46766 [1,1,0,0,0,0|1,0,0]=3 395 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 F49509 [1,1,0,0,0,0|1,0,0]=3 396 B10R1.13 C[C@@H](N)C1=CN=C(Br)C=C1 B63698 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.13 C[C@@H](N)C1=NC=C(F)C=C1 F46566 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 B49428 [1,1,0,0,0,0|0,0,0]=2 399 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 C49454 [1,1,0,0,0,0|0,0,0]=2 400 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 F49461 [1,1,0,0,0,0|0,0,0]=2 401 B10R1.13 C[C@H](Br)C1=CC=C(F)C=C1 B36983 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B46724 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B46735 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B65383 [1,1,0,0,0,0|1,0,0]=3 405 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 F36974 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 F64415 [1,1,0,0,0,0|1,0,0]=3 407 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 K46768 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 K46771 [1,1,0,0,0,0|1,0,0]=3 409 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 A46957 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 B46292 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 B46296 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F0635 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F46612 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 B49431 [1,1,0,0,0,0|0,0,0]=2 415 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 C49442 [1,1,0,0,0,0|0,0,0]=2 416 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 C49449 [1,1,0,0,0,0|0,0,0]=2 417 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 F49463 [1,1,0,0,0,0|0,0,0]=2 418 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 H46826 [1,1,0,0,0,0|0,0,0]=2 419 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 B63199 [1,1,0,0,0,0|1,0,1]=4 420 B10R1.13 FC(F)C1=CC=C(Cl)C=C1 C44732 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.13 FC(F)C1=CC=C(I)C=C1 D44733 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.13 NC1=CC=C(B(O)O)C=C1 A1420 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.13 NC1=CC=C(C(F)F)C=C1 D46546 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 C67273 [1,1,0,0,0,0|1,0,1]=4 425 B10R1.13 O=C(O)C1=CC=C(I)C=C1 K39365 [1,1,0,0,0,0|1,0,1]=4 426 B10R1.13 O=C(O)C1=CC=C(S)C=C1 M69070 [1,1,0,0,0,0|1,0,1]=4 427 B10R1.13 O=[S@](O)C1=CC=C(Br)C=C1 B42696 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.13 OB(O)C1=CC=C(Br)C=C1 B1940 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 C2280 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.13 OB(O)C1=CC=C(F)C=C1 F3380 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.28 CC(C)(N)C1=CC=CC=C1 P32201 [1,1,0,0,0,0|1,0,0]=3 432 B10R1.28 CC(C)(N)C1=NC=CC=C1 P32222 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.28 CC(C)(O)C1=CC=CC=C1 P24569 [1,1,0,0,0,0|0,0,0]=2 434 B10R1.28 CC(C)(O)C1=CN=CC=C1 P46904 [1,1,0,0,0,0|1,0,0]=3 435 B10R1.28 CC(C)(O)C1=NC=CC=C1 P38223 [1,1,0,0,0,0|1,0,0]=3 436 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 M39415 [1,1,0,0,0,0|1,0,1]=4 437 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 T68550 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 T69020 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.61 C=C(C)C1=C(N)C=CC=C1 P49976 [1,1,0,0,0,0|1,0,1]=4 440 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 B48708 [1,1,0,0,0,0|0,0,2]=4 441 B10R1.61 CC(=O)C1=C(C)C=CC=C1 T39529 [1,1,0,0,0,0|0,0,2]=4 442 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 C68333 [1,1,0,0,0,0|0,0,2]=4 443 B10R1.61 CC(=O)C1=C(F)C=CC=C1 F69325 [1,1,0,0,0,0|0,0,2]=4 444 B10R1.61 CC(=O)C1=C(I)C=CC=C1 K48750 [1,1,0,0,0,0|0,0,2]=4 445 B10R1.61 CC(=O)C1=C(N)C=CC=C1 A49645 [1,1,0,0,0,0|0,0,2]=4 446 B10R1.61 CC(C)C1=C(Br)C=CC=C1 B49961 [1,1,0,0,0,0|1,0,0]=3 447 B10R1.61 CC(C)C1=C(I)C=CC=C1 K49972 [1,1,0,0,0,0|1,0,0]=3 448 B10R1.61 CC(C)C1=C(N)C=CN=C1 P46960 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.61 CC(C)C1=C([Mg+])C=CC=C1 P31757 [1,1,0,0,0,0|1,0,0]=3 450 B10R1.61 CC(C)C1=CC=CN=C1Br B32081 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.61 CC(C)C1=CC=CN=C1Cl C36678 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.61 CC(C)C1=NC=CC=C1N P46959 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.61 CC1=C(B(O)O)C=CC=C1 T5230 [1,1,0,0,0,0|2,0,0]=4 454 B10R1.61 CC1=C(C(=O)O)C=CC=C1 T69330 [1,1,0,0,0,0|1,0,1]=4 455 B10R1.61 CC1=C([C@@H](C)N)C=CC=C1 T52160 [1,1,0,0,0,0|1,0,0]=3 456 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 T52162 [1,1,0,0,0,0|1,0,0]=3 457 B10R1.61 CN(C)C1=C(Br)C=CC=C1 B46731 [1,1,0,0,0,0|2,0,0]=4 458 B10R1.61 CN(C)C1=C(Cl)C=CC=C1 C46747 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.61 CN(C)C1=C(N)C=CC=C1 D68123 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.61 CN(C)C1=C(O)C=CC=C1 D23348 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.61 C[C@@H](N)C1=C(Br)C=CC=C1 B37416 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.61 C[C@@H](N)C1=C(Br)C=CC=C1 B46741 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 F46764 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 F49507 [1,1,0,0,0,0|1,0,0]=3 465 B10R1.61 C[C@@H](O)C1=C(Br)C=CC=C1 B25268 [1,1,0,0,0,0|0,0,0]=2 466 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 C49446 [1,1,0,0,0,0|0,0,0]=2 467 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 F49460 [1,1,0,0,0,0|0,0,0]=2 468 B10R1.61 C[C@H](Br)C1=C(F)C=CC=C1 B48765 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 B19470 [1,1,0,0,0,0|1,0,0]=3 470 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 B46723 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 B46742 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 C46756 [1,1,0,0,0,0|1,0,0]=3 473 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 F46760 [1,1,0,0,0,0|1,0,0]=3 474 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 F49510 [1,1,0,0,0,0|1,0,0]=3 475 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 F64880 [1,1,0,0,0,0|1,0,0]=3 476 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 B49429 [1,1,0,0,0,0|0,0,0]=2 477 B10R1.61 C[C@H](O)C1=C(Br)C=CC=N1 B37274 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 C49448 [1,1,0,0,0,0|0,0,0]=2 479 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 C66089 [1,1,0,0,0,0|0,0,0]=2 480 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 F49462 [1,1,0,0,0,0|0,0,0]=2 481 B10R1.61 C[C@H](O)C1=C(F)C=NC=C1 F46213 [1,1,0,0,0,0|1,0,0]=3 482 B10R1.61 C[C@H](O)C1=C(N)N=CC=C1 A65242 [1,1,0,0,0,0|1,0,0]=3 483 B10R1.61 C[C@H](O)C1=CC=CN=C1Cl C46191 [1,1,0,0,0,0|1,0,0]=3 484 B10R1.61 FC(F)C1=C(Br)C=CC=C1 B67317 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.61 NC1=C(B(O)O)C=CC=C1 A1340 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.61 OB(O)C1=C(Br)C=CC=C1 B42940 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.61 OB(O)C1=C(Cl)C=CC=C1 C2240 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.61 OB(O)C1=C(F)C=CC=C1 F3340 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.61 OB(O)C1=C(O)C=CC=C1 H3736 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.61 OC1=C(C(F)F)C=CC=C1 D37751 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.113 CC(=O)C1=CC(C)=CC=C1 T39528 [1,1,0,0,0,0|0,0,2]=4 492 B10R1.113 CC(=O)C1=CC(N)=CC=C1 A68568 [1,1,0,0,0,0|0,0,2]=4 493 B10R1.113 CC(=O)C1=CC(O)=CC=C1 H60763 [1,1,0,0,0,0|0,0,2]=4 494 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 C69069 [1,1,0,0,0,0|0,0,2]=4 495 B10R1.113 CC(=O)C1=CC=CC(F)=C1 F48736 [1,1,0,0,0,0|0,0,2]=4 496 B10R1.113 CC(=O)C1=CC=CC(I)=C1 I37889 [1,1,0,0,0,0|0,0,2]=4 497 B10R1.113 CC(C)C1=CC(Br)=CN=C1 B32128 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.113 CC(C)C1=CC(Br)=NC=C1 B46727 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.113 CC(C)C1=CC=CC(Br)=C1 B49962 [1,1,0,0,0,0|1,0,0]=3 500 B10R1.113 CC(C)C1=CC=CC(Br)=N1 B46729 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 C37539 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.113 CC(C)C1=CC=CC(N)=C1 P50307 [1,1,0,0,0,0|1,0,0]=3 503 B10R1.113 CC(C)C1=CC=CC([Mg+])=C1 P31758 [1,1,0,0,0,0|1,0,0]=3 504 B10R1.113 CC(C)C1=CN=CC(N)=C1 I32297 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.113 CC(C)C1=NC=CC(Br)=C1 B63808 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 C39059 [1,1,0,0,0,0|2,0,0]=4 507 B10R1.113 CC1=CC=CC(B(O)O)=C1 T5210 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.113 CC1=CC=CC(N(C)C)=C1 T39548 [1,1,0,0,0,0|2,0,0]=4 509 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 T50311 [1,1,0,0,0,0|1,0,0]=3 510 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 T52159 [1,1,0,0,0,0|1,0,0]=3 511 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 T50309 [1,1,0,0,0,0|1,0,0]=3 512 B10R1.113 CN(C)C1=CC(N)=CC=C1 D49538 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.113 CN(C)C1=CC(N)=CC=C1 D49665 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.113 CN(C)C1=CC=CC(Br)=C1 B68052 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.113 CN(C)C1=CC=CC(F)=C1 F46763 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.113 CN(C)C1=CC=CC([Mg+])=C1 D31761 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.113 C[C@@H](N)C1=CC(Br)=NC=C1 B46295 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 B46734 [1,1,0,0,0,0|1,0,0]=3 519 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=N1 B46291 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.113 C[C@@H](N)C1=CC=CC(F)=C1 F46765 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.113 C[C@@H](N)C1=CC=CC(F)=C1 F49508 [1,1,0,0,0,0|1,0,0]=3 522 B10R1.113 C[C@@H](N)C1=CC=CC(F)=N1 F46611 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.113 C[C@@H](N)C1=CC=CC(O)=C1 A49524 [1,1,0,0,0,0|1,0,0]=3 524 B10R1.113 C[C@@H](O)C1=CC=CC(Cl)=C1 C49447 [1,1,0,0,0,0|0,0,0]=2 525 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 C13483 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 F46567 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 B46739 [1,1,0,0,0,0|1,0,0]=3 528 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 B46743 [1,1,0,0,0,0|1,0,0]=3 529 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 B64158 [1,1,0,0,0,0|1,0,0]=3 530 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 C46299 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 F46761 [1,1,0,0,0,0|1,0,0]=3 532 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 F49511 [1,1,0,0,0,0|1,0,0]=3 533 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 F46568 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 A46961 [1,1,0,0,0,0|1,0,0]=3 535 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 A64155 [1,1,0,0,0,0|1,0,0]=3 536 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 A64991 [1,1,0,0,0,0|1,0,0]=3 537 B10R1.113 C[C@H](O)C1=CC(N)=CC=C1 A46893 [1,1,0,0,0,0|0,0,0]=2 538 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 B49430 [1,1,0,0,0,0|0,0,0]=2 539 B10R1.113 C[C@H](O)C1=CC=CC(Br)=N1 B37443 [1,1,0,0,0,0|1,0,0]=3 540 B10R1.113 C[C@H](O)C1=NC=CC(Cl)=C1 C46192 [1,1,0,0,0,0|1,0,0]=3 541 B10R1.113 FC(F)C1=CC=CC(Br)=C1 B44723 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.113 NC1=CC=CC(B(O)O)=C1 A1370 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.113 NC1=CC=CC(B(O)O)=C1 A2231 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.113 NC1=CC=CC(B(O)O)=C1 A31607 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.113 NC1=CC=CC(B(O)O)=C1 A56559 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.113 NC1=CC=CC(C(=O)O)=C1 A69286 [1,1,0,0,0,0|1,0,1]=4 547 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 B39364 [1,1,0,0,0,0|1,0,1]=4 548 B10R1.113 O=C(O)C1=CC=CC(F)=C1 F68888 [1,1,0,0,0,0|1,0,1]=4 549 B10R1.113 O=C(O)C1=CC=CC(I)=C1 K68155 [1,1,0,0,0,0|1,0,1]=4 550 B10R1.113 OB(O)C1=CC=CC(Br)=C1 B1920 [1,1,0,0,0,0|2,0,0]=4 551 B10R1.113 OB(O)C1=CC=CC(Cl)=C1 C2260 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.113 OB(O)C1=CC=CC(F)=C1 F3360 [1,1,0,0,0,0|2,0,0]=4 553 B10R1.113 OB(O)C1=CC=CC(I)=C1 K3840 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.113 OB(O)C1=CC=CC(O)=C1 H3740 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.1 CC1=CC=C(CC#N)C=C1 M39574 [1,1,0,0,0,0|1,0,1]=4 556 B10R1.1 CC1=CC=C(CCBr)C=C1 B0463 [1,1,0,0,0,0|1,0,0]=3 557 B10R1.1 CC1=CC=C(CCO)C=C1 T50265 [1,1,0,0,0,0|1,0,0]=3 558 B10R1.1 CC1=CC=C(CC[Mg+])C=C1 M31724 [1,1,0,0,0,0|1,0,0]=3 559 B10R1.1 CC1=CC=C(CNN)C=C1 M49662 [1,1,0,0,0,0|2,0,0]=4 560 B10R1.1 CC1=NC=C(CCO)C=C1 M15913 [1,1,0,0,0,0|2,0,0]=4 561 B10R1.1 CCCC1=CC=C(Br)C=C1 B39542 [1,1,0,0,0,0|0,0,0]=2 562 B10R1.1 CCCC1=CC=C(N)C=C1 P68566 [1,1,0,0,0,0|0,0,0]=2 563 B10R1.1 CCCC1=CC=C([Mg+])C=C1 P31760 [1,1,0,0,0,0|0,0,0]=2 564 B10R1.1 CCNC1=CC=C(F)C=C1 E46759 [1,1,0,0,0,0|1,0,0]=3 565 B10R1.1 CCOC1=CC=C(I)C=C1 E49468 [1,1,0,0,0,0|1,0,0]=3 566 B10R1.1 CCOC1=CC=C(O)C=C1 E68898 [1,1,0,0,0,0|1,0,0]=3 567 B10R1.1 CCOC1=CC=C([Mg+])C=C1 E31767 [1,1,0,0,0,0|1,0,0]=3 568 B10R1.1 CCOC1=CN=C(Br)C=C1 B46151 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.1 CCOC1=CN=C(Cl)C=C1 C46184 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.1 CCOC1=CN=C(N)C=C1 E43625 [1,1,0,0,0,0|2,0,0]=4 571 B10R1.1 CCOC1=NC=C(Br)C=C1 B4568 [1,1,0,0,0,0|2,0,0]=4 572 B10R1.1 CCOC1=NC=C(I)C=C1 E46226 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.1 CCSC1=CC=C([Mg+])C=C1 E31791 [1,1,0,0,0,0|1,0,0]=3 574 B10R1.1 CNCC1=CC=C(Br)C=C1 B46738 [1,1,0,0,0,0|1,0,0]=3 575 B10R1.1 CNCC1=CC=C(Br)C=C1 M46740 [1,1,0,0,0,0|1,0,0]=3 576 B10R1.1 CNCC1=CC=C(C)C=C1 M50315 [1,1,0,0,0,0|1,0,0]=3 577 B10R1.1 CNCC1=CC=C(C)C=C1 M52163 [1,1,0,0,0,0|1,0,0]=3 578 B10R1.1 CNCC1=CC=C(Cl)C=C1 C46755 [1,1,0,0,0,0|1,0,0]=3 579 B10R1.1 CNCC1=CC=C(Cl)C=C1 M46757 [1,1,0,0,0,0|1,0,0]=3 580 B10R1.1 COCC1=CC=C(N)C=C1 M46895 [1,1,0,0,0,0|1,0,0]=3 581 B10R1.1 ClC1=CC=C(CCBr)C=C1 B48760 [1,1,0,0,0,0|1,0,0]=3 582 B10R1.1 FC1=CC=C(CCBr)C=C1 B13769 [1,1,0,0,0,0|1,0,0]=3 583 B10R1.1 FC1=CC=C(CC[Mg+])C=C1 F31725 [1,1,0,0,0,0|1,0,0]=3 584 B10R1.1 N#CCC1=CC=C(Cl)C=C1 C69078 [1,1,0,0,0,0|1,0,1]=4 585 B10R1.1 N#CCC1=CC=C(I)C=C1 K47988 [1,1,0,0,0,0|1,0,1]=4 586 B10R1.1 N#CCC1=CC=C(N)C=C1 A67449 [1,1,0,0,0,0|1,0,1]=4 587 B10R1.1 N#CCC1=CC=C(O)C=C1 H68900 [1,1,0,0,0,0|1,0,1]=4 588 B10R1.1 NCCC1=CC=C(Cl)C=C1 C67656 [1,1,0,0,0,0|1,0,0]=3 589 B10R1.1 NCCC1=CC=C(F)C=C1 F69101 [1,1,0,0,0,0|1,0,0]=3 590 B10R1.1 NCCC1=NC=C(Br)C=C1 A1731 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.1 NNCC1=CC=C(Br)C=C1 B0093 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.1 NNCC1=CC=C(Br)C=C1 B12215 [1,1,0,0,0,0|2,0,0]=4 593 B10R1.1 NNCC1=CC=C(Cl)C=C1 C0094 [1,1,0,0,0,0|2,0,0]=4 594 B10R1.1 NNCC1=CC=C(Cl)C=C1 C10206 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.1 NNCC1=CC=C(F)C=C1 F0090 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.1 NOCC1=CC=C(Cl)C=C1 C64524 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.1 NOCC1=CC=C(F)C=C1 F46562 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.1 O=CCC1=CC=C(Br)C=C1 B48709 [1,1,0,0,0,0|1,0,1]=4 599 B10R1.1 O=CCC1=CC=C(Cl)C=C1 C48725 [1,1,0,0,0,0|1,0,1]=4 600 B10R1.1 OC1=CC=C(CCBr)C=C1 B49426 [1,1,0,0,0,0|1,0,0]=3 601 B10R1.1 OCCC1=CC=C(Br)C=C1 B36776 [1,1,0,0,0,0|1,0,0]=3 602 B10R1.1 OCCC1=CC=C(Cl)C=C1 C39522 [1,1,0,0,0,0|1,0,0]=3 603 B10R1.1 OCCC1=CC=C(F)C=C1 F49459 [1,1,0,0,0,0|1,0,0]=3 604 B10R1.1 OCCC1=CC=C(I)C=C1 K49469 [1,1,0,0,0,0|1,0,0]=3 605 B10R1.1 OCCC1=CN=C(Cl)C=C1 C37718 [1,1,0,0,0,0|2,0,0]=4 606 B10R1.1 OCCC1=NC=C(Br)C=C1 B7705 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.1 [Mg+]CCC1=CC=C(Cl)C=C1 C31726 [1,1,0,0,0,0|1,0,0]=3 608 B10R1.4 CC1=C(CC#N)C=CC=C1 T69238 [1,1,0,0,0,0|1,0,1]=4 609 B10R1.4 CC1=C(CCO)C=CC=C1 T50264 [1,1,0,0,0,0|1,0,0]=3 610 B10R1.4 CCOC1=C(I)C=CC=N1 E46225 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.4 CCOC1=C(N)C=CN=C1 E26317 [1,1,0,0,0,0|2,0,0]=4 612 B10R1.4 CCOC1=C(N)C=NC=C1 E38360 [1,1,0,0,0,0|2,0,0]=4 613 B10R1.4 CCOC1=C([Mg+])C=CC=C1 E31764 [1,1,0,0,0,0|1,0,0]=3 614 B10R1.4 CCOC1=CC=CNC1=O E46398 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.4 CCSC1=C(N)C=CC=C1 E46939 [1,1,0,0,0,0|1,0,0]=3 616 B10R1.4 CNCC1=C(Br)C=CC=C1 B46737 [1,1,0,0,0,0|1,0,0]=3 617 B10R1.4 CNCC1=C(C)C=CC=C1 M50314 [1,1,0,0,0,0|1,0,0]=3 618 B10R1.4 CNCC1=C(Cl)C=CC=C1 C46748 [1,1,0,0,0,0|1,0,0]=3 619 B10R1.4 CNCC1=C(F)C=CC=C1 F67727 [1,1,0,0,0,0|1,0,0]=3 620 B10R1.4 CNCC1=C(F)C=CC=N1 F14667 [1,1,0,0,0,0|2,0,0]=4 621 B10R1.4 COCC1=C(O)C=CC=C1 M69473 [1,1,0,0,0,0|1,0,0]=3 622 B10R1.4 N#CCC1=C(Br)C=CC=C1 B69236 [1,1,0,0,0,0|1,0,1]=4 623 B10R1.4 N#CCC1=C(Cl)C=CC=C1 C39466 [1,1,0,0,0,0|1,0,1]=4 624 B10R1.4 N#CCC1=C(F)C=CC=C1 F68569 [1,1,0,0,0,0|1,0,1]=4 625 B10R1.4 N#CCC1=C(I)C=CC=C1 K47987 [1,1,0,0,0,0|1,0,1]=4 626 B10R1.4 N#CCC1=C(N)C=CC=C1 A48786 [1,1,0,0,0,0|1,0,1]=4 627 B10R1.4 NC1=C(CCO)C=CC=C1 A46894 [1,1,0,0,0,0|1,0,0]=3 628 B10R1.4 NCCC1=C(Br)C=CC=C1 B68553 [1,1,0,0,0,0|1,0,0]=3 629 B10R1.4 NCCC1=C(Br)C=CC=N1 B14102 [1,1,0,0,0,0|2,0,0]=4 630 B10R1.4 NCCC1=C(Cl)C=CC=C1 C69206 [1,1,0,0,0,0|1,0,0]=3 631 B10R1.4 NCCC1=C(O)C=CC=C1 A46892 [1,1,0,0,0,0|1,0,0]=3 632 B10R1.4 NNCC1=C(Br)C=CC=C1 B10205 [1,1,0,0,0,0|2,0,0]=4 633 B10R1.4 NNCC1=C(Br)C=CC=C1 B7428 [1,1,0,0,0,0|2,0,0]=4 634 B10R1.4 NNCC1=C(Cl)C=CC=C1 C10207 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.4 NNCC1=C(F)C=CC=C1 F0092 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.4 NNCC1=C(F)C=CC=C1 F7427 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.4 NOCC1=C(F)C=CC=C1 F63413 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.4 OCCC1=C(Br)C=CC=C1 B16411 [1,1,0,0,0,0|1,0,0]=3 639 B10R1.4 OCCC1=C(Cl)C=CC=C1 C49443 [1,1,0,0,0,0|1,0,0]=3 640 B10R1.4 OCCC1=C(F)C=CC=C1 F49457 [1,1,0,0,0,0|1,0,0]=3 641 B10R1.4 OCCC1=C(I)C=CC=C1 K49472 [1,1,0,0,0,0|1,0,0]=3 642 B10R1.10 BrCCC1=CC=CC(Br)=C1 B23535 [1,1,0,0,0,0|1,0,0]=3 643 B10R1.10 CC1=CC=CC(CC#N)=C1 M67706 [1,1,0,0,0,0|1,0,1]=4 644 B10R1.10 CC1=CC=CC(CCCl)=C1 C49969 [1,1,0,0,0,0|1,0,0]=3 645 B10R1.10 CCNC1=NC=CC(N)=C1 A43751 [1,1,0,0,0,0|2,0,0]=4 646 B10R1.10 CCOC1=CC(Br)=CN=C1 B46155 [1,1,0,0,0,0|2,0,0]=4 647 B10R1.10 CCOC1=CC(Br)=NC=C1 B21763 [1,1,0,0,0,0|2,0,0]=4 648 B10R1.10 CCOC1=CC(Cl)=NC=C1 C46183 [1,1,0,0,0,0|2,0,0]=4 649 B10R1.10 CCOC1=CC(F)=NC=C1 E46208 [1,1,0,0,0,0|2,0,0]=4 650 B10R1.10 CCOC1=CC(N)=CC=C1 E64076 [1,1,0,0,0,0|1,0,0]=3 651 B10R1.10 CCOC1=CC(N)=NC=C1 A43626 [1,1,0,0,0,0|2,0,0]=4 652 B10R1.10 CCOC1=CC=CC(Br)=C1 B49423 [1,1,0,0,0,0|1,0,0]=3 653 B10R1.10 CCOC1=CC=CC(F)=C1 E49455 [1,1,0,0,0,0|1,0,0]=3 654 B10R1.10 CCOC1=CC=CC([Mg+])=C1 E31766 [1,1,0,0,0,0|1,0,0]=3 655 B10R1.10 CCOC1=CN=CC(N)=C1 E36780 [1,1,0,0,0,0|2,0,0]=4 656 B10R1.10 CCOC1=NC=CC(Br)=C1 B24368 [1,1,0,0,0,0|2,0,0]=4 657 B10R1.10 CCOC1=NC=CC(N)=C1 A43627 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.10 CCSC1=CC=CC(Br)=C1 B3190 [1,1,0,0,0,0|1,0,0]=3 659 B10R1.10 CNCC1=CC(Br)=CN=C1 B46290 [1,1,0,0,0,0|2,0,0]=4 660 B10R1.10 CNCC1=CC(C)=CC=C1 M50313 [1,1,0,0,0,0|1,0,0]=3 661 B10R1.10 CNCC1=CC(N)=CC=C1 M46965 [1,1,0,0,0,0|1,0,0]=3 662 B10R1.10 CNCC1=CC=CC(Cl)=C1 C46754 [1,1,0,0,0,0|1,0,0]=3 663 B10R1.10 CNCC1=NC=CC(Cl)=C1 C46305 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.10 ClC1=CC=CC(CCBr)=C1 C48759 [1,1,0,0,0,0|1,0,0]=3 665 B10R1.10 N#CCC1=CC(N)=CC=C1 A48787 [1,1,0,0,0,0|1,0,1]=4 666 B10R1.10 N#CCC1=CC=CC(Br)=C1 B23025 [1,1,0,0,0,0|1,0,1]=4 667 B10R1.10 N#CCC1=CC=CC(Cl)=C1 C69079 [1,1,0,0,0,0|1,0,1]=4 668 B10R1.10 N#CCC1=CC=CC(F)=C1 F39467 [1,1,0,0,0,0|1,0,1]=4 669 B10R1.10 N#CCC1=CC=CC(O)=C1 H48451 [1,1,0,0,0,0|1,0,1]=4 670 B10R1.10 NCCC1=CC(=O)NC=C1 A46457 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.10 NCCC1=CC=CC(Br)=C1 B46722 [1,1,0,0,0,0|1,0,0]=3 672 B10R1.10 NCCC1=CC=CC(Br)=C1 B68552 [1,1,0,0,0,0|1,0,0]=3 673 B10R1.10 NCCC1=CC=CC(Cl)=C1 C10742 [1,1,0,0,0,0|1,0,0]=3 674 B10R1.10 NCCC1=CC=CC(F)=C1 F38570 [1,1,0,0,0,0|1,0,0]=3 675 B10R1.10 NCCC1=CC=CC(F)=C1 F46762 [1,1,0,0,0,0|1,0,0]=3 676 B10R1.10 NCCC1=CC=CC(O)=C1 A49522 [1,1,0,0,0,0|1,0,0]=3 677 B10R1.10 NNCC1=CC=CC(Br)=C1 B12216 [1,1,0,0,0,0|2,0,0]=4 678 B10R1.10 NNCC1=CC=CC(Cl)=C1 C12217 [1,1,0,0,0,0|2,0,0]=4 679 B10R1.10 NNCC1=CC=CC(Cl)=C1 C46306 [1,1,0,0,0,0|2,0,0]=4 680 B10R1.10 NNCC1=CC=CC(F)=C1 F0091 [1,1,0,0,0,0|2,0,0]=4 681 B10R1.10 NNCC1=CC=CC(F)=C1 F10204 [1,1,0,0,0,0|2,0,0]=4 682 B10R1.10 OCCC1=CC=CC(Br)=C1 B22812 [1,1,0,0,0,0|1,0,0]=3 683 B10R1.10 OCCC1=CC=CC(Br)=N1 B46160 [1,1,0,0,0,0|2,0,0]=4 684 B10R1.10 OCCC1=CC=CC(Cl)=C1 C49444 [1,1,0,0,0,0|1,0,0]=3 685 B10R1.10 OCCC1=CC=CC(F)=C1 F49458 [1,1,0,0,0,0|1,0,0]=3 686 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [1,1,0,0,0,0|0,0,0]=2 687 B10R1.17 BrCCOC1=CC=CC=C1 B68804 [1,1,0,0,0,0|1,0,0]=3 688 B10R1.17 C#CCCC1=CC=CC=C1 P62501 [1,1,0,0,0,0|0,0,1]=3 689 B10R1.17 C=CCOC1=CC=CC=C1 A68573 [1,1,0,0,0,0|0,0,2]=4 690 B10R1.17 C=COCC1=CC=CC=C1 B26636 [1,1,0,0,0,0|0,0,2]=4 691 B10R1.17 CCCCC1=CC=NC=C1 B50306 [1,1,0,0,0,0|1,0,0]=3 692 B10R1.17 CCCC[N+]1=CC=CC=C1 B52268 [1,1,0,0,0,0|1,0,0]=3 693 B10R1.17 CCCOC1=CC=CC=C1 P50263 [1,1,0,0,0,0|0,0,0]=2 694 B10R1.17 CCNCC1=CC=CC=C1 B39547 [1,1,0,0,0,0|0,0,0]=2 695 B10R1.17 CCNCC1=NC=CC=C1 P46970 [1,1,0,0,0,0|1,0,0]=3 696 B10R1.17 CCOCC1=CC=CC=C1 E50267 [1,1,0,0,0,0|0,0,0]=2 697 B10R1.17 CNCCC1=CC=CN=C1 M46974 [1,1,0,0,0,0|1,0,0]=3 698 B10R1.17 ClCC#CC1=CC=CC=C1 C51043 [1,1,0,0,0,0|0,0,2]=4 699 B10R1.17 ClCCOC1=CC=CC=C1 C39521 [1,1,0,0,0,0|1,0,0]=3 700 B10R1.17 ClCCSC1=CC=CC=C1 C49161 [1,1,0,0,0,0|1,0,0]=3 701 B10R1.17 N#CCOC1=CC=CC=C1 P48439 [1,1,0,0,0,0|1,0,1]=4 702 B10R1.17 NCCCC1=CC=NC=C1 P46966 [1,1,0,0,0,0|1,0,0]=3 703 B10R1.17 NCCNC1=CC=CC=C1 P61733 [1,1,0,0,0,0|1,0,0]=3 704 B10R1.17 NCCOC1=CC=CC=C1 P46889 [1,1,0,0,0,0|1,0,0]=3 705 B10R1.17 NCCOC1=CC=NC=C1 P46588 [1,1,0,0,0,0|2,0,0]=4 706 B10R1.17 NCCOC1=NC=CC=C1 P43633 [1,1,0,0,0,0|2,0,0]=4 707 B10R1.17 OCC#CC1=CC=CC=C1 P51545 [1,1,0,0,0,0|0,0,2]=4 708 B10R1.17 OCCCC1=CC=NC=C1 P46905 [1,1,0,0,0,0|1,0,0]=3 709 B10R1.17 OCCCC1=NC=CC=C1 P62447 [1,1,0,0,0,0|1,0,0]=3 710 B10R1.17 OCCCC1=NC=CC=C1 P7829 [1,1,0,0,0,0|1,0,0]=3 711 B10R1.17 OCCSC1=NC=CC=C1 P46439 [1,1,0,0,0,0|2,0,0]=4 712 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [1,1,0,0,0,0|0,0,0]=2 713 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 B9123 [1,1,0,0,0,0|2,0,0]=4 714 B10R1.18 CC(=O)CC1=CC=NC=C1 P49256 [1,1,0,0,0,0|1,0,1]=4 715 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [1,1,0,0,0,0|1,0,1]=4 716 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [1,1,0,0,0,0|1,0,1]=4 717 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [1,1,0,0,0,0|0,0,2]=4 718 B10R1.18 CC(C)NC1=CC=CC=C1 P69278 [1,1,0,0,0,0|1,0,0]=3 719 B10R1.18 CC(C)OC1=CN=CC=C1 P46891 [1,1,0,0,0,0|2,0,0]=4 720 B10R1.18 CC(C)OC1=NC=CC=C1 P46890 [1,1,0,0,0,0|2,0,0]=4 721 B10R1.18 FC(F)OC1=CC=CC=C1 D45605 [1,1,0,0,0,0|2,0,0]=4 722 B10R1.18 N=C(N)CC1=CC=CC=C1 P22633 [1,1,0,0,0,0|1,0,1]=4 723 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [1,1,0,0,0,0|1,0,1]=4 724 B10R1.14 CC[C@@H](N)C1=CC=C(C)O1 M49548 [0,1,0,0,1,0|2,0,0]=4 725 B12R1.32 CCCC(=O)CC1=CC=CC=C1 P54754 [0,1,0,0,0,1|0,0,2]=4 726 B12R1.32 CN(CCO)CC1=CC=CC=C1 B39619 [0,1,0,0,0,1|2,0,0]=4 727 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 M54757 [0,1,0,0,0,1|1,0,1]=4 728 B12R1.43 C[C@H](N)C(=O)CC1=CC=CC=C1 A54150 [0,1,0,0,0,1|0,0,2]=4 729 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 H49929 [0,1,0,0,0,1|1,0,1]=4 730 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H49928 [0,1,0,0,0,1|1,0,1]=4 731 B12R1.49 CCC(=O)OC1=CC=C(O)C=C1 H64154 [0,1,0,0,0,1|0,0,2]=4 732 B12R1.49 N[C@@H](CO)CC1=CC=C(F)C=C1 A52152 [0,1,0,0,0,1|2,0,0]=4 733 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 A69484 [0,1,0,0,0,1|2,0,0]=4 734 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 A50259 [0,1,0,0,0,1|2,0,0]=4 735 B12R1.118 CCN(CC)CC1=CC=CC=C1 B60762 [0,1,0,0,0,1|2,0,0]=4 736 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 M39108 [0,1,0,0,0,1|1,0,0]=3 737 B12R1.118 NC[C@@H](CO)CC1=CC=CC=C1 A53136 [0,1,0,0,0,1|1,0,0]=3 738 B12R1.118 OCC(CO)CC1=CC=CC=C1 B66122 [0,1,0,0,0,1|1,0,0]=3 739 B12R1.371 N[C@H](CO)CC1=C(Cl)C=CC=C1 A50258 [0,1,0,0,0,1|2,0,0]=4 740 B12R1.9 CCS(=O)(=O)C1=CC=C(Br)C=C1 B63054 [0,2,0,0,0,0|1,0,1]=4 741 B12R1.10 CC(C)(CO)C1=CC=CC(Br)=C1 B53017 [0,2,0,0,0,0|2,0,0]=4 742 B12R1.10 CCS(=O)(=O)C1=CC=CC(Br)=C1 B1476 [0,2,0,0,0,0|1,0,1]=4 743 B12R1.39 CC(C)(CC=O)C1=CC=CC=C1 M54755 [0,2,0,0,0,0|1,0,1]=4 744 B12R1.39 CCOS(=O)(=O)C1=CC=CC=C1 E46851 [0,2,0,0,0,0|1,0,1]=4 745 B12R1.39 O=S(=O)(CCCl)C1=CC=CC=C1 C65009 [0,2,0,0,0,0|1,0,1]=4 746 B12R1.475 COP(=O)(OC)C1=CC=CC=C1 D46952 [0,2,0,0,0,0|2,0,0]=4 747 B12R1.12 COC(OC)C1=CC=C(Cl)C=C1 C0943 [0,2,0,0,0,0|1,0,0]=3 748 B12R1.13 COC(OC)C1=CC(N)=NC=C1 A7778 [0,2,0,0,0,0|2,0,0]=4 749 B12R1.478 CC[C@@H](C(=O)Cl)C1=CC=CC=C1 P52669 [0,2,0,0,0,0|0,0,1]=3 750 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 M68323 [0,2,0,0,0,0|1,0,0]=3 751 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 M49926 [0,2,0,0,0,0|1,0,0]=3 752 B12R1.16 C=CC[C@@H](N)C1=CC=C(F)C=C1 F54124 [0,2,0,0,0,0|1,0,1]=4 753 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 C68955 [0,2,0,0,0,0|0,0,2]=4 754 B12R1.16 CCCC(=O)C1=CC=C(F)C=C1 F52671 [0,2,0,0,0,0|0,0,2]=4 755 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 H52799 [0,2,0,0,0,0|0,0,2]=4 756 B12R1.16 CCC[C@@H](N)C1=CC=C(C)C=C1 T55524 [0,2,0,0,0,0|1,0,0]=3 757 B12R1.16 CCOC(=O)C1=CC=C(C)C=C1 E69403 [0,2,0,0,0,0|0,0,2]=4 758 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 E68949 [0,2,0,0,0,0|0,0,2]=4 759 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 E69037 [0,2,0,0,0,0|0,0,2]=4 760 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 E39579 [0,2,0,0,0,0|0,0,2]=4 761 B12R1.16 COCC(=O)C1=CC=C(O)C=C1 H49931 [0,2,0,0,0,0|0,0,2]=4 762 B12R1.16 NC1=CC=C([C@@H](N)CCO)C=C1 A52258 [0,2,0,0,0,0|1,0,0]=3 763 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 A50260 [0,2,0,0,0,0|1,0,0]=3 764 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 A63764 [0,2,0,0,0,0|1,0,0]=3 765 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 A50262 [0,2,0,0,0,0|1,0,0]=3 766 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 B51653 [0,2,0,0,0,0|0,0,2]=4 767 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 C51659 [0,2,0,0,0,0|0,0,2]=4 768 B12R1.17 C=CC[C@H](N)C1=CC=CC(Cl)=C1 C62600 [0,2,0,0,0,0|1,0,1]=4 769 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 E64578 [0,2,0,0,0,0|0,0,2]=4 770 B12R1.17 CCOC(=O)C1=CC(O)=CC=C1 E39534 [0,2,0,0,0,0|0,0,2]=4 771 B12R1.17 CCOC(=O)C1=CC=CC(Br)=C1 E51874 [0,2,0,0,0,0|0,0,2]=4 772 B12R1.17 CCOC(=O)C1=CC=CC(Cl)=C1 E51913 [0,2,0,0,0,0|0,0,2]=4 773 B12R1.17 CCOC(=O)C1=CC=CC(I)=C1 E39580 [0,2,0,0,0,0|0,0,2]=4 774 B12R1.30 C#CCN[C@@H](C)C1=CC=CC=C1 P54604 [0,2,0,0,0,0|1,0,1]=4 775 B12R1.30 CCOC[C@H](N)C1=CC=CC=C1 E62365 [0,2,0,0,0,0|1,0,0]=3 776 B12R1.30 CNCCC(=O)C1=CC=CC=C1 M54151 [0,2,0,0,0,0|0,0,2]=4 777 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 A54196 [0,2,0,0,0,0|1,0,0]=3 778 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 A60951 [0,2,0,0,0,0|1,0,0]=3 779 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 P68692 [0,2,0,0,0,0|0,0,2]=4 780 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 P65406 [0,2,0,0,0,0|1,0,1]=4 781 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 P38479 [0,2,0,0,0,0|1,0,1]=4 782 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 M63385 [0,2,0,0,0,0|1,0,0]=3 783 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 A53182 [0,2,0,0,0,0|1,0,0]=3 784 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 P69050 [0,2,0,0,0,0|1,0,1]=4 785 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A38671 [0,2,0,0,0,0|1,0,1]=4 786 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A52121 [0,2,0,0,0,0|1,0,1]=4 787 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A67450 [0,2,0,0,0,0|1,0,1]=4 788 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A50069 [0,2,0,0,0,0|1,0,1]=4 789 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A52115 [0,2,0,0,0,0|1,0,1]=4 790 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 H69518 [0,2,0,0,0,0|0,0,1]=3 791 B12R1.308 CCC[C@@H](N)C1=C(C)C=CC=C1 T54978 [0,2,0,0,0,0|1,0,0]=3 792 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 E3305 [0,2,0,0,0,0|0,0,2]=4 793 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 E51932 [0,2,0,0,0,0|0,0,2]=4 794 B12R1.308 CCOC(=O)C1=C(I)C=CC=C1 E51956 [0,2,0,0,0,0|0,0,2]=4 795 B12R1.308 O=C(CCCl)C1=C(F)C=CC=C1 C51658 [0,2,0,0,0,0|0,0,2]=4 796 B12R1.5 CCC(=O)C1=CC=C(CC)C=C1 E22775 [0,2,0,0,0,0|0,0,2]=4 797 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 A50364 [0,2,0,0,0,0|2,0,0]=4 798 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 A52181 [0,2,0,0,0,0|2,0,0]=4 799 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 A52182 [0,2,0,0,0,0|2,0,0]=4 800 B12R1.20 CC(C)C(=O)C1=CC=C(Cl)C=C1 C52670 [0,2,0,0,0,0|0,0,2]=4 801 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 B53066 [0,2,0,0,0,0|1,0,0]=3 802 B12R1.20 CC(C)[C@H](N)C1=CC=C(Cl)C=C1 C53070 [0,2,0,0,0,0|1,0,0]=3 803 B12R1.20 CC(C)[S@](=O)C1=CC=C(Br)C=C1 B50158 [0,2,0,0,0,0|1,0,1]=4 804 B12R1.20 CC1=CC=C([C@@H](N)C(C)C)C=C1 M55525 [0,2,0,0,0,0|1,0,0]=3 805 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(Br)C=C1 B68482 [0,2,0,0,0,0|0,0,2]=4 806 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(O)C=C1 B51910 [0,2,0,0,0,0|0,0,2]=4 807 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Cl)C=C1 C48668 [0,2,0,0,0,0|1,0,1]=4 808 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 C48666 [0,2,0,0,0,0|1,0,1]=4 809 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 C61967 [0,2,0,0,0,0|1,0,1]=4 810 B12R1.20 O=C(O)[C@H](O)C1=CC=C(F)C=C1 F61925 [0,2,0,0,0,0|1,0,1]=4 811 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 H37553 [0,2,0,0,0,0|1,0,1]=4 812 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 H49119 [0,2,0,0,0,0|1,0,1]=4 813 B12R1.20 O=C([O-])[C@H](O)C1=CC=C(O)C=C1 S49483 [0,2,0,0,0,0|1,0,1]=4 814 B12R1.367 CCC(=O)C1=CC(C)=C(C)C=C1 D54760 [0,2,0,0,0,0|0,0,2]=4 815 B12R1.367 CCC(=O)C1=CC(Cl)=C(Cl)C=C1 D51656 [0,2,0,0,0,0|0,0,2]=4 816 B12R1.367 CCC(=O)C1=CC(F)=C(F)C=C1 D51660 [0,2,0,0,0,0|0,0,2]=4 817 B12R1.367 CC[C@@H](N)C1=CC(F)=C(F)C=C1 D52097 [0,2,0,0,0,0|1,0,0]=3 818 B12R1.367 CC[C@H](N)C1=CC(F)=C(F)C=C1 D52099 [0,2,0,0,0,0|1,0,0]=3 819 B12R1.367 N[C@@H](CO)C1=CC(Cl)=C(Cl)C=C1 A49366 [0,2,0,0,0,0|2,0,0]=4 820 B12R1.367 N[C@H](CO)C1=CC(Cl)=C(Cl)C=C1 A49369 [0,2,0,0,0,0|2,0,0]=4 821 B12R1.367 N[C@H](CO)C1=CC(Cl)=C(F)C=C1 A49371 [0,2,0,0,0,0|2,0,0]=4 822 B12R1.367 OC[C@H](O)C1=CC(F)=C(Cl)C=C1 C62605 [0,2,0,0,0,0|1,0,0]=3 823 B12R1.367 OC[C@H](O)C1=CC(F)=C(Cl)C=C1 C67021 [0,2,0,0,0,0|1,0,0]=3 824 B12R1.367 O[C@H](CCl)C1=CC(F)=C(F)C=C1 C60696 [0,2,0,0,0,0|1,0,0]=3 825 B12R1.1703 CCC(=O)C1=C(Cl)C=C(Cl)C=C1 D51655 [0,2,0,0,0,0|0,0,2]=4 826 B12R1.1703 CCC(=O)C1=C(F)C=C(Br)C=C1 B51654 [0,2,0,0,0,0|0,0,2]=4 827 B12R1.1703 CC[C@H](N)C1=C(C)C=C(C)C=C1 D55527 [0,2,0,0,0,0|1,0,0]=3 828 B12R1.1703 N[C@@H](CO)C1=C(Cl)C=C(Cl)C=C1 A49365 [0,2,0,0,0,0|2,0,0]=4 829 B12R1.1703 N[C@@H](CO)C1=C(Cl)C=C(Cl)C=C1 A49368 [0,2,0,0,0,0|2,0,0]=4 830 B12R1.24 CC1=C(F)C=CC=C1[C@@H](N)CO A52157 [0,2,0,0,0,0|2,0,0]=4 831 B12R1.24 CC1=C(F)C=CC=C1[C@H](N)CO A52158 [0,2,0,0,0,0|2,0,0]=4 832 B12R1.24 N[C@H](CO)C1=CC=CC(Cl)=C1F A49370 [0,2,0,0,0,0|2,0,0]=4 833 B12R1.225 CC(C)[C@@H](N)C1=CC=CC(Cl)=C1 C53069 [0,2,0,0,0,0|1,0,0]=3 834 B12R1.225 CC(C)[C@@H](N)C1=CC=CC(Cl)=C1 C53071 [0,2,0,0,0,0|1,0,0]=3 835 B12R1.225 C[C@H](C1=CC=CC(O)=C1)N(C)C D53145 [0,2,0,0,0,0|2,0,0]=4 836 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 C64552 [0,2,0,0,0,0|1,0,1]=4 837 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 C64588 [0,2,0,0,0,0|1,0,1]=4 838 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(F)=C1 F48687 [0,2,0,0,0,0|1,0,1]=4 839 B12R1.354 CCC(=O)C1=C(F)C=CC(Br)=C1 B13762 [0,2,0,0,0,0|0,0,2]=4 840 B12R1.354 CCC(=O)C1=C(F)C=CC(F)=C1 D63769 [0,2,0,0,0,0|0,0,2]=4 841 B12R1.354 CC[C@H](N)C1=C(F)C=CC(F)=C1 D52098 [0,2,0,0,0,0|1,0,0]=3 842 B12R1.354 CC[C@H](O)C1=C(C)C=CC(Cl)=C1 C37554 [0,2,0,0,0,0|0,0,0]=2 843 B12R1.354 N[C@H](CO)C1=C(F)C=CC(F)=C1 A49652 [0,2,0,0,0,0|2,0,0]=4 844 B12R1.358 CCC(=O)C1=CC(Cl)=CC(Cl)=C1 D51657 [0,2,0,0,0,0|0,0,2]=4 845 B12R1.358 N[C@@H](CO)C1=CC(Cl)=CC(Cl)=C1 A49367 [0,2,0,0,0,0|2,0,0]=4 846 B12R1.358 N[C@@H](CO)C1=CC(F)=CC(F)=C1 A49651 [0,2,0,0,0,0|2,0,0]=4 847 B12R1.358 N[C@H](CO)C1=CC(F)=CC(F)=C1 A49653 [0,2,0,0,0,0|2,0,0]=4 848 B12R1.435 CCC(=O)C1=CC(OC)=CC=C1 M52788 [0,2,0,0,0,0|0,0,2]=4 849 B12R1.435 CC[C@@H](N)C1=CC=CC(C#N)=C1 A54118 [0,2,0,0,0,0|1,0,0]=3 850 B12R1.435 CC[C@@H](N)C1=CC=CC(OC)=C1 M54197 [0,2,0,0,0,0|1,0,0]=3 851 B12R1.435 COC1=CC([C@H](N)CO)=CC=C1 A37413 [0,2,0,0,0,0|2,0,0]=4 852 B12R1.435 COC1=CC([C@H](N)CO)=CC=C1 A52184 [0,2,0,0,0,0|2,0,0]=4 853 B12R1.435 CSC1=CC([C@H](N)CO)=CC=C1 A52187 [0,2,0,0,0,0|2,0,0]=4 854 B12R1.435 N#CC1=CC=CC([C@@H](N)CO)=C1 A52062 [0,2,0,0,0,0|2,0,0]=4 855 B12R1.124 CC(C)C(=O)C1=C(F)C=CC=C1 F63717 [0,2,0,0,0,0|0,0,2]=4 856 B12R1.124 C[C@H](Br)C(=O)C1=C(Cl)C=CC=C1 B51651 [0,2,0,0,0,0|0,0,2]=4 857 B12R1.124 O=C(O)[C@@H](O)C1=C(Cl)C=CC=C1 C48667 [0,2,0,0,0,0|1,0,1]=4 858 B12R1.124 O=C(O)[C@H](O)C1=C(Cl)C=CC=C1 C67488 [0,2,0,0,0,0|1,0,1]=4 859 B12R1.124 O=C(O)[C@H](O)C1=C(F)C=CC=C1 F61964 [0,2,0,0,0,0|1,0,1]=4 860 B12R1.564 CC(C)(C)[C@@H](N)C1=CC=CC=C1 D55526 [0,2,0,0,0,0|1,0,0]=3 861 B12R1.564 CC(C)(C)[C@H](N)C1=CC=CC=C1 D38881 [0,2,0,0,0,0|1,0,0]=3 862 B12R1.564 N[C@H](C1=CC=CC=C1)C(F)(F)F T48896 [0,2,0,0,0,0|2,0,0]=4 863 B12R1.564 O[C@@H](C1=CC=CC=C1)C(F)(F)F T48748 [0,2,0,0,0,0|1,0,0]=3 864 B12R1.77 COC1=C([C@H](N)CO)C=CC=C1 A52183 [0,2,0,0,0,0|2,0,0]=4 865 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 P68601 [1,0,0,1,0,0|0,0,0]=2 866 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 P68362 [1,0,0,1,0,0|0,0,0]=2 867 B10R2.320 Br[C@H]1CC2=C1C=CC=C2 B68954 [1,0,0,1,0,0|1,0,0]=3 868 B10R2.320 O=C1CC2=C1C=CC=C2 B36727 [1,0,0,1,0,0|0,0,2]=4 869 B10R2.7 C1=CC2=C(C=C1)CNC2 D64953 [1,0,0,1,0,0|1,0,0]=3 870 B10R2.7 C1=CC2=C(C=C1)OCC2 D65079 [1,0,0,1,0,0|1,0,0]=3 871 B10R2.7 C1=CC2=C(C=C1)OCO2 B69389 [1,0,0,1,0,0|2,0,0]=4 872 B10R2.7 C1=CC2=C(C=C1)SCS2 B61366 [1,0,0,1,0,0|2,0,0]=4 873 B10R2.7 C1=CC2=C(C=N1)CNC2 D3869 [1,0,0,1,0,0|2,0,0]=4 874 B10R2.7 C1=CC2=C(C=N1)COC2 D46549 [1,0,0,1,0,0|2,0,0]=4 875 B10R2.7 C1=CC2=C(C=N1)NCC2 D36872 [1,0,0,1,0,0|2,0,0]=4 876 B10R2.7 C1=CC2=C(C=N1)NCC2 D46553 [1,0,0,1,0,0|2,0,0]=4 877 B10R2.7 C1=CN=C2CCCC2=C1 C67437 [1,0,0,1,0,0|1,0,0]=3 878 B10R2.7 C1=CN=C2CNCC2=C1 D12180 [1,0,0,1,0,0|2,0,0]=4 879 B10R2.7 C1=CN=C2CNCC2=C1 D3602 [1,0,0,1,0,0|2,0,0]=4 880 B10R2.7 C1=CN=C2NCCC2=C1 D0150 [1,0,0,1,0,0|2,0,0]=4 881 B10R2.7 C1=CN=C2NCCC2=C1 D65478 [1,0,0,1,0,0|2,0,0]=4 882 B10R2.32 O[C@H]1CCN2C=CN=C12 P60959 [0,0,0,1,1,0|2,0,0]=4 883 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O A18987 [0,0,0,1,0,1|1,0,0]=3 884 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O A10679 [0,0,0,1,0,1|1,0,0]=3 885 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 P13262 [0,0,0,1,0,1|0,0,2]=4 886 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)C1 M52877 [0,0,0,1,0,1|2,0,0]=4 887 B12R2.24 C[C@H]1CCC2=C(C=CC=C2)N1 T69232 [0,0,0,1,0,1|1,0,0]=3 888 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 T52882 [0,0,0,1,0,1|1,0,0]=3 889 B12R2.24 N[C@@H]1CNC2=C(C=CC=C2)C1 T50166 [0,0,0,1,0,1|2,0,0]=4 890 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T52883 [0,0,0,1,0,1|1,0,0]=3 891 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T54140 [0,0,0,1,0,1|1,0,0]=3 892 B12R2.24 N[C@H]1CCC2=CC=CN=C2C1 T37224 [0,0,0,1,0,1|2,0,0]=4 893 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 D67464 [0,0,0,1,0,1|0,0,2]=4 894 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 T60427 [0,0,0,1,0,1|1,0,0]=3 895 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 T38300 [0,0,0,1,0,1|0,0,0]=2 896 B12R2.27 OCC1CC1C2=CC=CC=C2 P52781 [0,0,0,1,0,1|2,0,0]=4 897 B12R2.32 BrCC1=NC2=C(C=CC=C2)O1 B48072 [0,0,0,1,0,1|1,0,1]=4 898 B12R2.32 CCC1=CC2=C(C=CC=C2)N1 E52501 [0,0,0,1,0,1|1,0,1]=4 899 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 E37955 [0,0,0,1,0,1|1,0,1]=4 900 B12R2.32 CCC1=NC2=C(C=CC=C2)O1 E51753 [0,0,0,1,0,1|0,0,1]=3 901 B12R2.32 CCC1=NC2=C(C=CC=N2)O1 E48800 [0,0,0,1,0,1|1,0,1]=4 902 B12R2.32 CNC1CC2=C(C=CC=C2)C1 M62130 [0,0,0,1,0,1|2,0,0]=4 903 B12R2.32 CSC1=NC2=C(C=CC=C2)O1 M48556 [0,0,0,1,0,1|1,0,1]=4 904 B12R2.32 ClCC1=NC2=C(C=CC=C2)O1 C48088 [0,0,0,1,0,1|1,0,1]=4 905 B12R2.32 OCC1=NC2=C(C=CC=C2)O1 B48459 [0,0,0,1,0,1|1,0,1]=4 906 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 D15699 [0,0,0,1,0,1|2,0,0]=4 907 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)O1 D49898 [0,0,0,1,0,1|1,0,0]=3 908 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 P11527 [0,0,0,1,0,1|2,0,0]=4 909 B12R2.48 N#CC1(C2=CC=CC=C2)CC1 P53837 [0,1,0,1,0,0|1,0,0]=3 910 B12R2.48 N#CC1(C2=CN=CC=C2)CC1 P51339 [0,1,0,1,0,0|2,0,0]=4 911 B12R2.116 NC1(C2=CC=CC=C2)CCC1 P69467 [0,1,0,1,0,0|1,0,0]=3 912 B12R2.116 NC1(C2=CC=CC=C2)COC1 P7034 [0,1,0,1,0,0|1,0,0]=3 913 B12R2.116 OC1(C2=CC=CC=C2)CNC1 H11459 [0,1,0,1,0,0|0,0,0]=2 914 B12R2.116 OC1(C2=CC=CC=C2)COC1 P1182 [0,1,0,1,0,0|0,0,0]=2 915 B12R2.2403 CC1(C)CNC2=C1C=CC=C2 D15351 [0,1,0,1,0,0|2,0,0]=4 916 B12R2.2403 CC1(C)NCC2=C1C=CC=C2 D10522 [0,1,0,1,0,0|2,0,0]=4 917 B12R2.1 BrCC1=NOC2=C1C=CC=C2 B48074 [0,1,0,1,0,0|1,0,1]=4 918 B12R2.1 C#C[C@H]1CCC2=C1C=CC=C2 E64384 [0,1,0,1,0,0|1,0,0]=3 919 B12R2.1 ClCC1=COC2=C1C=CC=C2 C51318 [0,1,0,1,0,0|1,0,1]=4 920 B12R2.2 C1=CC(C2=NCCO2)=CN=C1 P48813 [0,1,0,1,0,0|1,0,1]=4 921 B12R2.2 C1=CC([C@@H]2CCCN2)=CC=N1 P8797 [0,1,0,1,0,0|2,0,0]=4 922 B12R2.2 C1=CC=C(N2CCCC2)C=C1 P52876 [0,1,0,1,0,0|2,0,0]=4 923 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P15957 [0,1,0,1,0,0|1,0,0]=3 924 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P24436 [0,1,0,1,0,0|1,0,0]=3 925 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P54138 [0,1,0,1,0,0|1,0,0]=3 926 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 P1193 [0,1,0,1,0,0|0,0,0]=2 927 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 P24304 [0,1,0,1,0,0|1,0,0]=3 928 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P24713 [0,1,0,1,0,0|1,0,0]=3 929 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P25684 [0,1,0,1,0,0|1,0,0]=3 930 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P25740 [0,1,0,1,0,0|1,0,0]=3 931 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P26657 [0,1,0,1,0,0|1,0,0]=3 932 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 P14241 [0,1,0,1,0,0|2,0,0]=4 933 B12R2.2 C1=CN=C([C@H]2CCNC2)C=C1 P60923 [0,1,0,1,0,0|2,0,0]=4 934 B12R2.2 C1=CN=C([C@H]2CCNC2)C=C1 P64140 [0,1,0,1,0,0|2,0,0]=4 935 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 P52249 [0,1,0,1,0,0|2,0,0]=4 936 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 P67466 [0,1,0,1,0,0|2,0,0]=4 937 B12R2.2 C1=CN=CC([C@H]2CCCN2)=C1 P52248 [0,1,0,1,0,0|2,0,0]=4 938 B12R2.22 NC1CC(C2=CC=CC=C2)C1 P15206 [0,1,0,1,0,0|1,0,0]=3 939 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 P11821 [0,1,0,1,0,0|1,0,0]=3 940 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 P15205 [0,1,0,1,0,0|1,0,1]=4 941 B12R2.22 OC1CN(C2=CC=CC=C2)C1 H14395 [0,1,0,1,0,0|2,0,0]=4 942 B12R2.1081 CN1CCNC2=C1C=CC=C2 M52251 [0,1,0,1,0,0|2,0,0]=4 943 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M54143 [0,1,0,1,0,0|1,0,0]=3 944 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M67524 [0,1,0,1,0,0|1,0,0]=3 945 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 M52878 [0,1,0,1,0,0|1,0,0]=3 946 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 M54141 [0,1,0,1,0,0|1,0,0]=3 947 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 M54144 [0,1,0,1,0,0|1,0,0]=3 948 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 T22529 [0,1,0,1,0,0|1,0,0]=3 949 B12R2.1081 N[C@@H]1CCCC2=CC=CN=C21 T66114 [0,1,0,1,0,0|2,0,0]=4 950 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 C22307 [0,1,0,1,0,0|1,0,0]=3 951 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 C52103 [0,1,0,1,0,0|1,0,0]=3 952 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 T22530 [0,1,0,1,0,0|1,0,0]=3 953 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 D66113 [0,1,0,1,0,0|2,0,0]=4 954 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 T52250 [0,1,0,1,0,0|2,0,0]=4 955 B12R2.1081 N[C@H]1CCCC2=NC=CC=C21 A12037 [0,1,0,1,0,0|2,0,0]=4 956 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 T50167 [0,1,0,1,0,0|1,0,0]=3 957 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C22029 [0,1,0,1,0,0|1,0,0]=3 958 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C52100 [0,1,0,1,0,0|1,0,0]=3 959 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 C52104 [0,1,0,1,0,0|1,0,0]=3 960 B12R2.1081 N[C@H]1CNCC2=C1C=CC=C2 T37381 [0,1,0,1,0,0|1,0,0]=3 961 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 C63239 [0,1,0,1,0,0|1,0,0]=3 962 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 D4046 [0,1,0,1,0,0|1,0,0]=3 963 B12R2.1081 O=C1CCNC2=C1C=CC=C2 D39113 [0,1,0,1,0,0|0,0,2]=4 964 B12R2.1081 O=C1CCOC2=C1C=CC=C2 C67858 [0,1,0,1,0,0|0,0,2]=4 965 B12R2.1081 O=C1COCC2=C1C=CC=C2 I4950 [0,1,0,1,0,0|0,0,2]=4 966 B12R2.1081 O=C1CSCC2=C1C=CC=C2 T62209 [0,1,0,1,0,0|0,0,2]=4 967 B12R2.1081 O=C1NCCC2=C1C=CC=C2 D37571 [0,1,0,1,0,0|0,0,2]=4 968 B12R2.1081 O=C1OCCC2=C1C=CC=C2 C51549 [0,1,0,1,0,0|0,0,2]=4 969 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T67609 [0,1,0,1,0,0|0,0,0]=2 970 B12R2.1081 O[C@H]1CCCC2=CC=CN=C21 T50023 [0,1,0,1,0,0|1,0,0]=3 971 B12R2.1081 O[C@H]1CCNC2=C1C=CC=C2 T50022 [0,1,0,1,0,0|0,0,0]=2 972 B12R2.2028 O=C1O[C@H](O)C2=C1C=CC=C2 H37964 [0,1,0,1,0,0|1,0,1]=4 973 B12R2.2075 O[C@H](C1=CN=CC=C1)C2CC2 A50027 [0,1,0,1,0,0|1,0,0]=3 974 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(O)C=C2 A29485 [0,1,0,1,0,0|2,0,0]=4 975 B12R2.290 NC1(C2=CC=C(Br)C=C2)CC1 B23185 [0,1,0,1,0,0|1,0,0]=3 976 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 C49770 [0,1,0,1,0,0|1,0,0]=3 977 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 C60522 [0,1,0,1,0,0|1,0,0]=3 978 B12R2.290 NC1(C2=CC=C(F)C=C2)CC1 F69407 [0,1,0,1,0,0|1,0,0]=3 979 B12R2.290 OC1(C2=CC=C(Br)C=C2)CC1 B52027 [0,1,0,1,0,0|0,0,0]=2 980 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 M52405 [0,1,0,1,0,0|0,0,2]=4 981 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 M52880 [0,1,0,1,0,0|1,0,0]=3 982 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 A3834 [0,1,0,1,0,0|0,0,2]=4 983 B12R2.612 N[C@@H]1CCC2=C1C=CC(Br)=C2 B38120 [0,1,0,1,0,0|1,0,0]=3 984 B12R2.612 N[C@@H]1CCC2=C1C=CC(Cl)=C2 C49774 [0,1,0,1,0,0|1,0,0]=3 985 B12R2.612 N[C@@H]1CCC2=C1C=CC(F)=C2 F52068 [0,1,0,1,0,0|1,0,0]=3 986 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B36894 [0,1,0,1,0,0|1,0,0]=3 987 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B63483 [0,1,0,1,0,0|1,0,0]=3 988 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B63647 [0,1,0,1,0,0|1,0,0]=3 989 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 B63729 [0,1,0,1,0,0|1,0,0]=3 990 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 C49775 [0,1,0,1,0,0|1,0,0]=3 991 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 C49782 [0,1,0,1,0,0|1,0,0]=3 992 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 C69644 [0,1,0,1,0,0|1,0,0]=3 993 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 F52071 [0,1,0,1,0,0|1,0,0]=3 994 B12R2.612 N[C@H]1COC2=C1C=CC(Br)=C2 B37370 [0,1,0,1,0,0|2,0,0]=4 995 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 C49046 [0,1,0,1,0,0|2,0,0]=4 996 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 F49618 [0,1,0,1,0,0|2,0,0]=4 997 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 B23186 [0,1,0,1,0,0|0,0,2]=4 998 B12R2.612 O=C1CCC2=C1C=CC(Cl)=C2 C39570 [0,1,0,1,0,0|0,0,2]=4 999 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 F51326 [0,1,0,1,0,0|0,0,2]=4 1000 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 D9498 [0,1,0,1,0,0|0,0,2]=4 1001 B12R2.612 O=C1CCC2=C1C=CC(O)=C2 H38546 [0,1,0,1,0,0|0,0,2]=4 1002 B12R2.612 OB1OCC2=C1C=CC(O)=C2 D29533 [0,1,0,1,0,0|2,0,0]=4 1003 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 B52029 [0,1,0,1,0,0|0,0,0]=2 1004 B12R2.612 O[C@H]1CCC2=C1C=CC(Cl)=C2 C52041 [0,1,0,1,0,0|0,0,0]=2 1005 B12R2.612 O[C@H]1CCC2=C1C=CC(F)=C2 F52046 [0,1,0,1,0,0|0,0,0]=2 1006 B12R2.612 O[C@H]1COC2=C1C=CC(Br)=C2 B48578 [0,1,0,1,0,0|1,0,0]=3 1007 B12R2.2302 BrC1=CC=C(C2COC2)C=C1 B8588 [0,1,0,1,0,0|2,0,0]=4 1008 B12R2.2302 NC1=CC=C(C2COC2)C=C1 X17674 [0,1,0,1,0,0|2,0,0]=4 1009 B12R2.132 NC1=CC2=C(C=C1)CCC2=O A4485 [0,1,0,1,0,0|0,0,2]=4 1010 B12R2.132 NC1=CC2=C(C=C1)COB2O A1210 [0,1,0,1,0,0|2,0,0]=4 1011 B12R2.132 N[C@@H]1CCC2=C1C=C(Br)C=C2 B13142 [0,1,0,1,0,0|1,0,0]=3 1012 B12R2.132 N[C@@H]1CCC2=C1C=C(F)C=C2 F52069 [0,1,0,1,0,0|1,0,0]=3 1013 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 A31037 [0,1,0,1,0,0|1,0,0]=3 1014 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 H13146 [0,1,0,1,0,0|1,0,0]=3 1015 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 B13143 [0,1,0,1,0,0|1,0,0]=3 1016 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 B63650 [0,1,0,1,0,0|1,0,0]=3 1017 B12R2.132 N[C@H]1CCC2=C1C=C(Cl)C=C2 C49778 [0,1,0,1,0,0|1,0,0]=3 1018 B12R2.132 N[C@H]1CCC2=C1C=C(Cl)C=C2 C63653 [0,1,0,1,0,0|1,0,0]=3 1019 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 F52065 [0,1,0,1,0,0|1,0,0]=3 1020 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 F52067 [0,1,0,1,0,0|1,0,0]=3 1021 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 H13147 [0,1,0,1,0,0|1,0,0]=3 1022 B12R2.132 N[C@H]1COC2=C1C=C(Cl)C=C2 C49041 [0,1,0,1,0,0|2,0,0]=4 1023 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 B13141 [0,1,0,1,0,0|0,0,2]=4 1024 B12R2.132 O=C1CCC2=C1C=C(Cl)C=C2 C13148 [0,1,0,1,0,0|0,0,2]=4 1025 B12R2.132 O=C1CCC2=C1C=C(F)C=C2 F51322 [0,1,0,1,0,0|0,0,2]=4 1026 B12R2.132 O=C1CCC2=C1C=C(I)C=C2 D9500 [0,1,0,1,0,0|0,0,2]=4 1027 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 H51556 [0,1,0,1,0,0|0,0,2]=4 1028 B12R2.132 OB1OCC2=C1C=C(F)C=C2 F62428 [0,1,0,1,0,0|2,0,0]=4 1029 B12R2.132 O[C@H]1CCC2=C1C=C(Br)C=C2 B52030 [0,1,0,1,0,0|0,0,0]=2 1030 B12R2.196 CC1=CC=CC2=C1CCC2=O M52415 [0,1,0,1,0,0|0,0,2]=4 1031 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N M54145 [0,1,0,1,0,0|1,0,0]=3 1032 B12R2.196 NC1=CC=CC2=C1CCC2=O A3795 [0,1,0,1,0,0|0,0,2]=4 1033 B12R2.196 N[C@@H]1CCC2=C(Br)C=CC=C21 B61894 [0,1,0,1,0,0|1,0,0]=3 1034 B12R2.196 N[C@@H]1COC2=C(Cl)C=CC=C21 C49047 [0,1,0,1,0,0|2,0,0]=4 1035 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 B37290 [0,1,0,1,0,0|1,0,0]=3 1036 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 B49765 [0,1,0,1,0,0|1,0,0]=3 1037 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 B49768 [0,1,0,1,0,0|1,0,0]=3 1038 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 C49777 [0,1,0,1,0,0|1,0,0]=3 1039 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 C49781 [0,1,0,1,0,0|1,0,0]=3 1040 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 F52070 [0,1,0,1,0,0|1,0,0]=3 1041 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 I0551 [0,1,0,1,0,0|0,0,2]=4 1042 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 C0554 [0,1,0,1,0,0|0,0,2]=4 1043 B12R2.196 O=C1CCC2=C(F)C=CC=C12 F51325 [0,1,0,1,0,0|0,0,2]=4 1044 B12R2.196 O=C1CCC2=C1C=CC=C2O H38442 [0,1,0,1,0,0|0,0,2]=4 1045 B12R2.196 OB1OCC2=C(F)C=CC=C12 F62423 [0,1,0,1,0,0|2,0,0]=4 1046 B12R2.196 O[C@H]1CCC2=C(Cl)C=CN=C21 C49044 [0,1,0,1,0,0|1,0,0]=3 1047 B12R2.1282 NC1(C2=CC(Br)=CN=C2)CC1 B15441 [0,1,0,1,0,0|2,0,0]=4 1048 B12R2.1282 NC1(C2=CC(Br)=CN=C2)CC1 B60464 [0,1,0,1,0,0|2,0,0]=4 1049 B12R2.1282 NC1(C2=CC=CC(Br)=C2)CC1 B49761 [0,1,0,1,0,0|1,0,0]=3 1050 B12R2.1282 NC1(C2=CC=CC(Cl)=C2)CC1 C49769 [0,1,0,1,0,0|1,0,0]=3 1051 B12R2.1282 NC1(C2=CC=CC(F)=C2)CC1 F52066 [0,1,0,1,0,0|1,0,0]=3 1052 B12R2.2313 BrC1=CC(C2COC2)=CC=C1 B8384 [0,1,0,1,0,0|2,0,0]=4 1053 B12R2.203 CC1=C2C(=O)CCC2=CC=C1 M52416 [0,1,0,1,0,0|0,0,2]=4 1054 B12R2.203 N[C@H]1CCC2=CC=CC(Br)=C21 B49763 [0,1,0,1,0,0|1,0,0]=3 1055 B12R2.203 N[C@H]1CCC2=CC=CC(Br)=C21 B49766 [0,1,0,1,0,0|1,0,0]=3 1056 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 F52072 [0,1,0,1,0,0|1,0,0]=3 1057 B12R2.203 O=C1CCC2=CC=CC(Br)=C12 B64882 [0,1,0,1,0,0|0,0,2]=4 1058 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 C51316 [0,1,0,1,0,0|0,0,2]=4 1059 B12R2.203 O=C1CCC2=CC=CC(F)=C12 F51324 [0,1,0,1,0,0|0,0,2]=4 1060 B12R2.203 O=C1CCC2=CC=CC(O)=C12 H51557 [0,1,0,1,0,0|0,0,2]=4 1061 B12R2.203 O[C@H]1CCC2=CC=CC(Br)=C21 B63750 [0,1,0,1,0,0|0,0,0]=2 1062 B12R2.203 O[C@H]1CSC2=CC=CC(Br)=C21 B63765 [0,1,0,1,0,0|1,0,0]=3 1063 B8R1.7 CC(C)C1=CC=CO1 P43710 [1,0,0,0,1,0|2,0,0]=4 1064 B8R1.7 C[C@@H](N)C1=CC=CS1 T43397 [1,0,0,0,1,0|2,0,0]=4 1065 B8R1.7 C[C@@H](O)C1=CC=CO1 F43302 [1,0,0,0,1,0|1,0,0]=3 1066 B8R1.7 C[C@H](N)C1=CC=CS1 T43555 [1,0,0,0,1,0|2,0,0]=4 1067 B8R1.8 CCCC1=CC=CS1 P43744 [1,0,0,0,1,0|1,0,0]=3 1068 B8R1.8 CCCC1=NC=CN1 P68616 [1,0,0,0,1,0|2,0,0]=4 1069 B8R1.8 CCCC1=NC=CS1 P43394 [1,0,0,0,1,0|2,0,0]=4 1070 B8R1.8 CNCC1=CC=CS1 M43398 [1,0,0,0,1,0|2,0,0]=4 1071 B8R1.8 CNCC1=CSC=C1 M43396 [1,0,0,0,1,0|2,0,0]=4 1072 B8R1.8 NCCC1=CC=CS1 T12818 [1,0,0,0,1,0|2,0,0]=4 1073 B8R1.8 NCCC1=CSC=C1 T1049 [1,0,0,0,1,0|2,0,0]=4 1074 B8R1.8 NCCC1=CSC=C1 T10491 [1,0,0,0,1,0|2,0,0]=4 1075 B8R1.8 NCCN1C=CC=C1 P41427 [1,0,0,0,1,0|2,0,0]=4 1076 B8R1.8 OCCC1=CC=CS1 T12817 [1,0,0,0,1,0|2,0,0]=4 1077 B8R1.8 OCCC1=CSC=C1 T12832 [1,0,0,0,1,0|2,0,0]=4 1078 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 B53141 [0,0,0,0,0,2|2,0,0]=4 1079 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 B67328 [0,0,0,0,0,2|2,0,0]=4 1080 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 B53085 [0,0,0,0,0,2|2,0,0]=4 1081 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 B53140 [0,0,0,0,0,2|2,0,0]=4