0 B10R1.18 CC(=O)CC1=NC=CN=C1 P10609 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.18 C[C@H](Br)CC1=CC=CC=C1 75436 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.18 C[C@H](N)CC1=CC=CN=C1 S12145 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 AT26580 [0,0,0,0,0,0|1,0,1]=2 4 B9R1.8 CSCC1=CC=CC=C1 D88728 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.8 CSCC1=CN=CC=C1 E72352 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.8 C\C=C/C1=CC=CC=C1 D91456 [1,0,0,0,0,0|1,0,1]=3 7 B9R1.8 C\C=C\C1=CC=CC=C1 H10852 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.8 ClCCC1=NC=CC=C1 D83590 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.8 O\N=C\C1=CC=NC=C1 H10302 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.8 O\N=C\C1=NC=CC=C1 W16238 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 D91021 [0,1,0,0,0,0|1,0,0]=2 12 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 D88481 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.20 CC(=O)NC1=CN=C(Br)C=C1 78670 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.20 CC(=O)NC1=NC=C(I)C=C1 T71190 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.20 CC1=CC=C(CC(=O)Cl)C=C1 AC5981 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.20 N=C(N)NC1=CC=C(Br)C=C1 D95501 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.20 NC(=S)CC1=CC=C(Cl)C=C1 A10506 [0,1,0,0,0,0|1,1,0]=3 18 B11R1.20 O=C(Cl)CC1=CC=C(Cl)C=C1 S10930 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 28966 [0,1,0,0,0,0|1,0,0]=2 20 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 O10485 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.20 S=C(Cl)OC1=CC=C(Cl)C=C1 T71479 [0,1,0,0,0,0|2,1,0]=4 22 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 F16873 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 A11584 [0,1,0,0,0,0|1,0,0]=2 24 B11R1.36 O=C(O)[C@H](F)C1=CC=CC=C1 22843 [0,1,0,0,0,0|0,0,0]=1 25 B11R1.36 O=C([O-])[C@H](O)C1=CC=CC=C1 D91272 [0,1,0,0,0,0|0,0,1]=2 26 B11R1.40 CCN(C)CC1=CC=CC=C1 AB10334 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.40 COC(=O)CC1=CC=NC=C1 31807 [0,1,0,0,0,0|1,0,0]=2 28 B11R1.40 C[C@@H](CO)OC1=CC=CC=C1 98060 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.40 NC[C@@H](O)CC1=CC=CC=C1 AR2912 [0,1,0,0,0,0|1,0,1]=3 30 B11R1.40 O=CC(Cl)=CC1=CC=CC=C1 D94582 [0,1,0,0,0,0|1,0,1]=3 31 B11R1.86 CC(=O)CC1=C(C)C=CC=C1 N12425 [0,1,0,0,0,0|1,0,0]=2 32 B11R1.86 CC(=O)OC1=C(F)C=CC=C1 F13223 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.86 CN(C)CC1=C(F)C=CC=C1 L10043 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.86 CN(C)CC1=C(N)C=CC=C1 F18327 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.86 CN(C)CC1=C([Pd+2])C=CC=C1 D90232 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.86 N=C(N)NC1=C(F)C=CC=C1 25412 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.86 NC(=O)CC1=C(N)C=CC=C1 D78598 [0,1,0,0,0,0|1,0,0]=2 38 B11R1.86 NC(=O)NC1=C(Br)C=CC=C1 H11652 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.86 NC1=[N+](CC(=O)[O-])C=CC=C1 O10455 [0,1,0,0,0,0|1,0,1]=3 40 B11R1.86 O=C(Cl)CC1=C(Cl)C=CC=C1 D97686 [0,1,0,0,0,0|1,0,0]=2 41 B11R1.86 O=C(Cl)CC1=C(F)C=CC=C1 A10511 [0,1,0,0,0,0|1,0,0]=2 42 B11R1.157 CC(=O)OC1=CC=CC(Br)=C1 76449 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.157 CC1=CC=CC(NC(N)=S)=C1 S12350 [0,1,0,0,0,0|2,1,0]=4 44 B11R1.157 O=C(Cl)CC1=CC(F)=CC=C1 C13922 [0,1,0,0,0,0|1,0,0]=2 45 B11R1.509 CC(C)(C)CC1=CC=CC=C1 D92053 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 D88825 [0,1,0,0,0,0|3,0,0]=4 47 B11R2.10 ClB1OC2=C(C=CC=C2)O1 D89444 [0,0,0,1,0,0|3,0,0]=4 48 B11R2.10 NC1CC2=C(C=CC=C2)C1 75403 [0,0,0,1,0,0|2,0,1]=4 49 B11R2.10 O=C1O[N+]2=C(C=CC=C2)S1 T73044 [0,0,0,1,0,0|2,0,0]=3 50 B11R2.238 C1=CC=C(C[C@H]2CO2)C=C1 F20875 [0,0,0,1,0,0|1,0,1]=3 51 B9R1.6 CN(C)C1=CC=CC=C1 D95371 [0,0,0,0,1,0|3,0,0]=4 52 B9R1.6 CN(N)C1=CC=CC=C1 Y14873 [0,0,0,0,1,0|3,0,0]=4 53 B9R1.6 CP(C)C1=CC=CC=C1 D90262 [0,0,0,0,1,0|3,0,0]=4 54 B9R1.6 C[C@H](Cl)C1=CC=CC=C1 A10187 [0,0,0,0,1,0|2,0,1]=4 55 B9R1.6 N=C(N)C1=CC=NC=C1 I11702 [0,0,0,0,1,0|3,0,0]=4 56 B9R1.6 O=C(Cl)C1=CN=CN=C1 S11745 [0,0,0,0,1,0|3,0,0]=4 57 B9R1.6 O=C([O-])C1=NC=CC=C1 D91960 [0,0,0,0,1,0|1,0,1]=3 58 B9R1.6 O=[Se](O)C1=CC=CC=C1 D88899 [0,0,0,0,1,0|1,0,0]=2 59 B9R1.13 CC(=O)NC1=CC=CS1 Y10605 [0,0,0,0,1,0|3,0,0]=4 60 B9R1.13 O=C(O)CN1C=CC=C1 AT16135 [0,0,0,0,1,0|1,0,0]=2 61 B11R1.91 C=C(C)OCC1=CC=CC=C1 T70780 [0,0,0,0,0,1|2,0,0]=3 62 B11R1.91 CC(C)=NCC1=CC=CC=C1 92550 [0,0,0,0,0,1|2,0,0]=3 63 B11R1.91 CC(C)CCC1=CC=CC=C1 D91368 [0,0,0,0,0,1|2,0,1]=4 64 B11R1.91 CN(C)CCC1=CC=CC=C1 F12472 [0,0,0,0,0,1|3,0,0]=4 65 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 30788 [0,0,0,0,0,1|2,0,1]=4 66 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 F20201 [0,0,0,0,0,1|2,0,1]=4 67 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 D97163 [0,0,0,0,0,1|1,0,1]=3 68 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 D97164 [0,0,0,0,0,1|1,0,1]=3 69 B11R1.91 N=C(N)COC1=CC=CC=C1 29590 [0,0,0,0,0,1|2,0,0]=3 70 B11R1.91 NC(=O)CSC1=CC=CC=C1 97376 [0,0,0,0,0,1|1,0,0]=2 71 B11R1.91 O=C([O-])COC1=CC=CC=C1 D91898 [0,0,0,0,0,1|0,0,1]=2 72 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 H10800 [0,0,0,0,0,1|0,0,2]=3 73 B8R1.2 BrCC1=NC=CC=C1 D87709 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.2 C#CC1=CC=CC=C1 D90456 [2,0,0,0,0,0|0,0,2]=4 75 B8R1.2 C=CC1=NC=CC=C1 91716 [2,0,0,0,0,0|1,0,1]=4 76 B8R1.2 CCC1=CC=CN=C1 D87724 [2,0,0,0,0,0|1,0,1]=4 77 B8R1.2 CCC1=CC=NC=C1 D90449 [2,0,0,0,0,0|1,0,1]=4 78 B8R1.2 CCC1=NC=CC=C1 AT23190 [2,0,0,0,0,0|1,0,1]=4 79 B8R1.2 ClCC1=CC=NC=C1 D88171 [2,0,0,0,0,0|2,0,0]=4 80 B8R1.2 ICC1=CN=CC=C1 AC6646 [2,0,0,0,0,0|2,0,0]=4 81 B8R1.2 NCC1=CC=CC=C1 T70936 [2,0,0,0,0,0|1,0,0]=3 82 B8R1.2 NNC1=CC=CC=C1 D91920 [2,0,0,0,0,0|2,0,0]=4 83 B8R1.2 OCC1=NC=CC=N1 W13843 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.1 C=CCC1=CC=C(C)C=C1 D76863 [1,1,0,0,0,0|1,0,0]=3 85 B10R1.1 CCCC1=CC=C(C)C=C1 D92007 [1,1,0,0,0,0|1,0,1]=4 86 B10R1.1 CNCC1=CC=C(F)C=C1 26027 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.1 FC1=CC=C(CCCl)C=C1 D90675 [1,1,0,0,0,0|1,0,1]=4 88 B10R1.1 NCCC1=CC=C(F)C=C1 D90699 [1,1,0,0,0,0|1,0,1]=4 89 B10R1.1 NCCC1=CC=C(F)C=C1 D90702 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.1 NNCC1=CC=C(Br)C=C1 P10525 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.1 NNCC1=CC=C(Cl)C=C1 D86183 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.1 NNCC1=CC=C(F)C=C1 P10415 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.1 O=C=NC1=CC=C(Br)C=C1 D88673 [1,1,0,0,0,0|1,0,1]=4 94 B10R1.4 C=CCC1=C(C)C=CC=C1 D97323 [1,1,0,0,0,0|1,0,0]=3 95 B10R1.4 C=CCC1=C(N)C=CC=C1 D88543 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.4 CCCC1=C(O)C=CC=C1 D86075 [1,1,0,0,0,0|1,0,1]=4 97 B10R1.4 COCC1=C(Br)C=CC=C1 CK2442 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.4 NCCC1=C(N)C=CC=C1 51438 [1,1,0,0,0,0|1,0,1]=4 99 B10R1.4 NOCC1=C(Cl)C=CC=C1 D87707 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.4 O=CNC1=C(Br)C=CC=C1 W12508 [1,1,0,0,0,0|1,0,0]=3 101 B10R1.4 OC1=C(CCBr)C=CC=C1 C78317 [1,1,0,0,0,0|1,0,1]=4 102 B10R1.4 O\N=C\C1=C(Cl)C=CC=C1 57820 [1,1,0,0,0,0|1,0,1]=4 103 B10R1.10 CCCC1=CC(C)=CC=C1 D92006 [1,1,0,0,0,0|1,0,1]=4 104 B10R1.10 CNCC1=CC=CC(Cl)=C1 L10045 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.10 NNCC1=CC=CC(Br)=C1 P10524 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.10 NNCC1=CC=CC(Cl)=C1 74963 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.10 NNCC1=CC=CC(F)=C1 75838 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.15 C=C[C@H](O)C1=CC=CC=C1 AB10386 [1,1,0,0,0,0|1,0,0]=3 109 B10R1.15 CC[C@H](C)C1=CC=CC=C1 N11903 [1,1,0,0,0,0|1,0,1]=4 110 B10R1.15 C[C@@H](CBr)C1=CC=CC=C1 C80054 [1,1,0,0,0,0|1,0,1]=4 111 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 AT25357 [1,1,0,0,0,0|0,0,1]=3 112 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 AT25361 [1,1,0,0,0,0|0,0,1]=3 113 B10R1.15 N#C[C@@H](N)C1=CC=CC=C1 N11950 [1,1,0,0,0,0|1,0,1]=4 114 B10R1.17 C=CCCC1=CC=CC=C1 D91916 [1,1,0,0,0,0|1,0,0]=3 115 B10R1.17 COCCC1=NC=CC=C1 D91306 [1,1,0,0,0,0|1,0,1]=4 116 B10R1.17 OCCNC1=CC=NC=C1 AT18123 [1,1,0,0,0,0|1,0,1]=4 117 B10R1.17 OC\C=C\C1=CN=CC=C1 AC7736 [1,1,0,0,0,0|1,0,1]=4 118 B10R1.17 OC\C=C\C1=NC=CC=C1 31710 [1,1,0,0,0,0|1,0,1]=4 119 B10R1.13 C=C(C)C1=CC=C(Br)C=C1 AC1305 [0,1,0,0,1,0|2,0,0]=4 120 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 D97156 [0,1,0,0,1,0|1,0,1]=4 121 B10R1.13 CC1=CC=C([S@](=O)O)C=C1 F21290 [0,1,0,0,1,0|1,0,0]=3 122 B10R1.13 CC1=CN=C(C(=O)O)C=C1 23539 [0,1,0,0,1,0|1,0,0]=3 123 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 F13696 [0,1,0,0,1,0|1,1,0]=4 124 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 34960 [0,1,0,0,1,0|1,0,0]=3 125 B10R1.13 O=C(Cl)C1=NC=C(F)C=C1 D87634 [0,1,0,0,1,0|2,0,0]=4 126 B10R1.13 O=C(O)C1=CN=C(S)C=C1 N12019 [0,1,0,0,1,0|1,0,0]=3 127 B10R1.13 O=C1C=CC(C(=O)O)=CN1 P10104 [0,1,0,0,1,0|1,0,0]=3 128 B10R1.13 O=[S@](O)C1=CC=C(Br)C=C1 D82516 [0,1,0,0,1,0|1,0,0]=3 129 B10R1.13 OB(O)C1=CC=C(S)C=C1 64291 [0,1,0,0,1,0|1,0,1]=4 130 B10R1.28 O=P(Cl)(Cl)C1=CC=CC=C1 CL4120 [0,1,0,0,1,0|2,0,0]=4 131 B10R1.28 O=S(=O)(Cl)C1=CC=CC=C1 AR3950 [0,1,0,0,1,0|1,0,1]=4 132 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 D88593 [0,1,0,0,1,0|1,0,1]=4 133 B10R1.28 O[B-](O)(O)C1=CC=CC=C1 D92266 [0,1,0,0,1,0|1,0,1]=4 134 B10R1.61 C=C(C)C1=C(C)C=CC=C1 D91121 [0,1,0,0,1,0|2,0,0]=4 135 B10R1.61 NC(=O)C1=CC=CN=C1F 26317 [0,1,0,0,1,0|2,0,0]=4 136 B10R1.61 NC(=O)C1=NC=CC=C1O D90953 [0,1,0,0,1,0|2,0,0]=4 137 B10R1.61 NC(=S)C1=C(Br)C=CC=C1 V10037 [0,1,0,0,1,0|1,1,0]=4 138 B10R1.61 NC(=S)C1=C(Cl)C=CC=C1 A10483 [0,1,0,0,1,0|1,1,0]=4 139 B10R1.61 NC(=S)C1=C(F)C=CC=C1 A10480 [0,1,0,0,1,0|1,1,0]=4 140 B10R1.61 NC(=S)C1=C(O)C=CC=C1 A10504 [0,1,0,0,1,0|1,1,0]=4 141 B10R1.61 NC1=C(C(=O)O)C=CN=C1 O10944 [0,1,0,0,1,0|1,0,0]=3 142 B10R1.61 NC1=C([N+](=O)[O-])C=CC=C1 D91640 [0,1,0,0,1,0|1,0,1]=4 143 B10R1.61 NC1=CC=CN=C1C(=O)O O10945 [0,1,0,0,1,0|1,0,0]=3 144 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 I10233 [0,1,0,0,1,0|1,0,0]=3 145 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 CL0204 [0,1,0,0,1,0|1,0,0]=3 146 B10R1.61 O=C(O)C1=C(F)C=CC=N1 AC3521 [0,1,0,0,1,0|1,0,0]=3 147 B10R1.61 O=C(O)C1=CC=CN=C1S F14851 [0,1,0,0,1,0|1,0,0]=3 148 B10R1.61 O=C(O)C1=NC=CNC1=O FD9125 [0,1,0,0,1,0|2,0,0]=4 149 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D91263 [0,1,0,0,1,0|0,0,1]=3 150 B10R1.61 O=C([O-])C1=C([S-])C=CC=C1 H10793 [0,1,0,0,1,0|0,0,1]=3 151 B10R1.113 C=C(C)C1=CC=CC(I)=C1 D86695 [0,1,0,0,1,0|2,0,0]=4 152 B10R1.113 CC1=CC=CC(C(=N)N)=C1 I11458 [0,1,0,0,1,0|2,0,0]=4 153 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 C91518 [0,1,0,0,1,0|2,0,0]=4 154 B10R1.113 N=C(N)C1=CC(N)=CC=C1 F13532 [0,1,0,0,1,0|2,0,0]=4 155 B10R1.113 N=C(N)C1=CC(N)=CC=C1 H11407 [0,1,0,0,1,0|2,0,0]=4 156 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 D87873 [0,1,0,0,1,0|2,0,0]=4 157 B10R1.113 NC(=S)C1=CC(F)=CC=C1 W12701 [0,1,0,0,1,0|1,1,0]=4 158 B10R1.113 NC(=S)C1=CC(O)=CC=C1 A10505 [0,1,0,0,1,0|1,1,0]=4 159 B10R1.113 NC(=S)C1=CC=CC(Br)=C1 A10478 [0,1,0,0,1,0|1,1,0]=4 160 B10R1.113 NC1=CC(C(=O)O)=NC=C1 AC1887 [0,1,0,0,1,0|1,0,0]=3 161 B10R1.113 NC1=CC=CC(C(=O)[O-])=C1 D88239 [0,1,0,0,1,0|0,0,1]=3 162 B10R1.113 O=C(Cl)C1=CC=CC(I)=C1 D91195 [0,1,0,0,1,0|1,0,0]=3 163 B10R1.113 O=C([O-])C1=CC(O)=CC=C1 D90821 [0,1,0,0,1,0|0,0,1]=3 164 B10R1.113 O=C([O-])C1=CC=CC(F)=C1 CK1073 [0,1,0,0,1,0|0,0,1]=3 165 B10R1.23 C[C@@H](C(=O)O)N1C=CC=C1 AT16137 [0,1,0,0,1,0|1,0,0]=3 166 B10R1.54 CC1=CC=C(CC(=O)O)S1 94302 [0,1,0,0,1,0|1,0,0]=3 167 B10R1.64 CN1C=CC=C1CC(=O)O AT16218 [0,1,0,0,1,0|1,0,0]=3 168 B12R1.21 CC(=O)COC1=CC=C(Cl)C=C1 D78576 [0,1,0,0,0,1|1,0,0]=3 169 B12R1.21 CC(=O)COC1=CC=C(F)C=C1 D78577 [0,1,0,0,0,1|1,0,0]=3 170 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 F20951 [0,1,0,0,0,1|1,0,1]=4 171 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 CL8805 [0,1,0,0,0,1|0,0,0]=2 172 B12R1.21 CC1=CC=C(OCC(=O)Cl)C=C1 D97320 [0,1,0,0,0,1|1,0,0]=3 173 B12R1.21 CC1=CC=C(OC[C@H](C)O)C=C1 D91440 [0,1,0,0,0,1|1,0,1]=4 174 B12R1.21 N=C(N)NCC1=CC=C(N)C=C1 AC8833 [0,1,0,0,0,1|2,0,0]=4 175 B12R1.21 NC1=CC=C(SCC(=O)O)C=C1 F16048 [0,1,0,0,0,1|0,0,0]=2 176 B12R1.21 O=C(Cl)COC1=CC=C(Cl)C=C1 D89302 [0,1,0,0,0,1|1,0,0]=3 177 B12R1.21 O=C(O)CNC1=CC=C(Br)C=C1 CL8804 [0,1,0,0,0,1|0,0,0]=2 178 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 31261 [0,1,0,0,0,1|0,0,0]=2 179 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 D90832 [0,1,0,0,0,1|0,0,0]=2 180 B12R1.21 O=C(O)CSC1=CC=C(Br)C=C1 AT20944 [0,1,0,0,0,1|0,0,0]=2 181 B12R1.27 COC(=O)C#CC1=CN=CC=C1 S11689 [0,1,0,0,0,1|1,0,1]=4 182 B12R1.27 COC(=O)CCC1=CC=NC=C1 AC7192 [0,1,0,0,0,1|1,0,0]=3 183 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 D77610 [0,1,0,0,0,1|1,0,1]=4 184 B12R1.27 NCC(=O)OCC1=CC=CC=C1 H11970 [0,1,0,0,0,1|1,0,0]=3 185 B12R1.27 NC[C@H](O)COC1=CC=CC=C1 76907 [0,1,0,0,0,1|1,0,1]=4 186 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O A10414 [0,1,0,0,0,1|0,0,0]=2 187 B12R1.43 C[C@H](SC1=CC=CC=C1)C(=O)O W18223 [0,1,0,0,0,1|0,0,0]=2 188 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 78150 [0,1,0,0,0,1|0,0,1]=3 189 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F10693 [0,1,0,0,0,1|1,0,0]=3 190 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O N12125 [0,1,0,0,0,1|0,0,0]=2 191 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O A50242 [0,1,0,0,0,1|1,0,0]=3 192 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O N12178 [0,1,0,0,0,1|1,0,0]=3 193 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 29878 [0,1,0,0,0,1|0,0,1]=3 194 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 D77816 [0,1,0,0,0,1|0,0,0]=2 195 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CC=C1 N12371 [0,1,0,0,0,1|1,0,0]=3 196 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 C78433 [0,1,0,0,0,1|1,0,0]=3 197 B12R1.125 CC1=C(OC[C@H](C)O)C=CC=C1 D91438 [0,1,0,0,0,1|1,0,1]=4 198 B12R1.125 CC1=C(SCC(=O)O)C=CC=C1 AT20928 [0,1,0,0,0,1|0,0,0]=2 199 B12R1.125 N=C(N)COC1=C(Cl)C=CC=C1 29603 [0,1,0,0,0,1|2,0,0]=4 200 B12R1.125 NC1=C(C=CC(=O)O)C=CC=N1 77496 [0,1,0,0,0,1|1,0,1]=4 201 B12R1.125 NC1=C(SCC(=O)O)C=CC=C1 AT20950 [0,1,0,0,0,1|0,0,0]=2 202 B12R1.125 O=C(O)COC1=C(Br)C=CC=C1 A50576 [0,1,0,0,0,1|0,0,0]=2 203 B12R1.125 O=C(O)COC1=C(O)C=CC=C1 AT23402 [0,1,0,0,0,1|0,0,0]=2 204 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 77939 [0,1,0,0,0,1|0,0,1]=3 205 B12R1.226 CC(=O)NCC1=CC=CC(Br)=C1 C78150 [0,1,0,0,0,1|1,0,0]=3 206 B12R1.226 CC(=O)OCC1=NC(C)=CC=C1 C14592 [0,1,0,0,0,1|2,0,0]=4 207 B12R1.226 CC(=O)\C=C\C1=CC=CC(Br)=C1 D78766 [0,1,0,0,0,1|1,0,1]=4 208 B12R1.226 CC1=CC=CC(OCC(N)=O)=C1 D91460 [0,1,0,0,0,1|1,0,0]=3 209 B12R1.226 CC1=CC=CC(OC[C@H](C)O)=C1 D91439 [0,1,0,0,0,1|1,0,1]=4 210 B12R1.226 O=C(Cl)COC1=CC(F)=CC=C1 AC1397 [0,1,0,0,0,1|1,0,0]=3 211 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 I11536 [0,1,0,0,0,1|0,0,0]=2 212 B12R1.226 O=C(O)CNC1=CC=CC(Br)=C1 CL8803 [0,1,0,0,0,1|0,0,0]=2 213 B12R1.226 O=C(O)CSC1=CC=CC(Br)=C1 AT20947 [0,1,0,0,0,1|0,0,0]=2 214 B12R1.4 CNC1=CC=C(NC(C)=O)C=C1 D80930 [0,2,0,0,0,0|2,0,0]=4 215 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 71303 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.4 COC1=CC=C(NC(N)=O)C=C1 D97658 [0,2,0,0,0,0|2,0,0]=4 217 B12R1.4 CSC1=CC=C(NC(C)=O)C=C1 L10171 [0,2,0,0,0,0|2,0,0]=4 218 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 D72888 [0,2,0,0,0,0|0,0,0]=2 219 B12R1.19 CC(=O)NC1=CC(F)=C(Br)C=C1 36302 [0,2,0,0,0,0|2,0,0]=4 220 B12R1.19 CC(=O)NC1=CC(F)=C(F)C=C1 75671 [0,2,0,0,0,0|2,0,0]=4 221 B12R1.19 CC(=O)NC1=CC(O)=C(Cl)C=C1 E72215 [0,2,0,0,0,0|2,0,0]=4 222 B12R1.19 NC1=C(Cl)C=C(CC(=O)O)C=C1 98290 [0,2,0,0,0,0|0,0,0]=2 223 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 W16664 [0,2,0,0,0,0|0,0,0]=2 224 B12R1.49 C=CC(=O)NC1=CC=C(Br)C=C1 N11714 [0,2,0,0,0,0|2,0,0]=4 225 B12R1.49 C=CC(=O)NC1=CC=C(F)C=C1 N11717 [0,2,0,0,0,0|2,0,0]=4 226 B12R1.106 CC1=CC=C(CC(C)(C)O)C=C1 D78400 [0,2,0,0,0,0|1,0,1]=4 227 B12R1.106 O=P(O)(O)CC1=CC=C(O)C=C1 T73053 [0,2,0,0,0,0|1,0,0]=3 228 B12R1.233 CC1=CC(=O)N(CC(=O)O)C=C1 AT19235 [0,2,0,0,0,0|1,0,0]=3 229 B12R1.233 CC1=CC(Br)=C(CC(=O)O)C=C1 D87833 [0,2,0,0,0,0|0,0,0]=2 230 B12R1.233 O=C(Cl)OC1=C(F)C=C(F)C=C1 AC6073 [0,2,0,0,0,0|2,0,0]=4 231 B12R1.34 CNC(=O)C(=O)C1=CC=CC=C1 E72128 [0,2,0,0,0,0|1,0,1]=4 232 B12R1.34 OCC(Br)C(Br)C1=CC=CC=C1 AC6013 [0,2,0,0,0,0|1,0,1]=4 233 B12R1.124 N[C@@H](C(=O)O)C1=C(F)C=CC=C1 N12038 [0,2,0,0,0,0|0,0,0]=2 234 B12R1.124 N[C@@H](C(=O)O)C1=C(O)C=CC=C1 N10976 [0,2,0,0,0,0|0,0,0]=2 235 B12R1.225 CC(=O)C(=O)C1=CC=CC(Cl)=C1 C14096 [0,2,0,0,0,0|1,0,1]=4 236 B12R1.225 CC1=CC=CC([C@@H](N)C(=O)O)=C1 N12323 [0,2,0,0,0,0|0,0,0]=2 237 B12R1.225 C[C@@H](C(=O)O)C1=CC=CC(Br)=C1 O10464 [0,2,0,0,0,0|0,0,0]=2 238 B12R1.225 N[C@@H](C(=O)O)C1=CC(O)=CC=C1 A50297 [0,2,0,0,0,0|0,0,0]=2 239 B12R1.225 N[C@@H](C(=O)O)C1=CC(O)=CC=C1 A50298 [0,2,0,0,0,0|0,0,0]=2 240 B12R1.225 N[C@@H](C(=O)O)C1=CC(O)=CC=C1 A50299 [0,2,0,0,0,0|0,0,0]=2 241 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 12056 [0,2,0,0,0,0|0,0,0]=2 242 B12R1.253 C[C@](O)(C(=O)O)C1=CC=CC=C1 D78561 [0,2,0,0,0,0|0,0,0]=2 243 B12R1.253 C[C@](O)(C(=O)O)C1=CC=CC=C1 D78562 [0,2,0,0,0,0|0,0,0]=2 244 B12R1.253 NC(=O)C(F)(F)C1=CC=CC=C1 AC8926 [0,2,0,0,0,0|1,0,0]=3 245 B12R1.253 O=C(O)C(F)(F)C1=CC=CC=C1 22295 [0,2,0,0,0,0|0,0,0]=2 246 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 86267 [0,2,0,0,0,0|0,0,0]=2 247 B12R1.32 CNCC(=O)NC1=CC=CC=C1 L10077 [0,2,0,0,0,0|2,0,0]=4 248 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB10382 [0,2,0,0,0,0|1,0,1]=4 249 B12R1.32 CSCC(=O)NC1=CC=CC=C1 L10078 [0,2,0,0,0,0|1,1,0]=4 250 B12R1.50 C=CC(=O)NC1=CC=CC(F)=C1 N11718 [0,2,0,0,0,0|2,0,0]=4 251 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 23335 [0,2,0,0,0,0|0,0,0]=2 252 B12R1.371 CNC(=O)CC1=C(Br)C=CC=C1 72287 [0,2,0,0,0,0|1,0,0]=3 253 B12R1.75 CCC1=C(NC(C)=O)C=CC=C1 78691 [0,2,0,0,0,0|2,0,0]=4 254 B12R1.75 COC1=C(CC(N)=O)C=CC=C1 C12522 [0,2,0,0,0,0|1,0,0]=3 255 B12R1.127 CC(=O)OC1=C(Cl)C=CC(N)=C1 AC8847 [0,2,0,0,0,0|2,0,0]=4 256 B12R1.127 CC1=CC(CC(=O)Cl)=C(C)C=C1 D90268 [0,2,0,0,0,0|1,0,0]=3 257 B12R1.127 NC1=CC(CC(=O)O)=C(Br)C=C1 95685 [0,2,0,0,0,0|0,0,0]=2 258 B12R1.151 O=S(=O)(Cl)CC1=C(F)C=CC=C1 S11970 [0,2,0,0,0,0|1,0,1]=4 259 B12R1.1009 NC1=CC=CC(Br)=C1CC(=O)O D83287 [0,2,0,0,0,0|0,0,0]=2 260 B12R1.1009 OB(O)CC1=C(Cl)C=CC=C1Cl C14130 [0,2,0,0,0,0|1,0,1]=4 261 B12R1.101 CC(=O)NC1=CC(C)=CC(C)=C1 D86204 [0,2,0,0,0,0|2,0,0]=4 262 B12R1.101 O=C(Cl)CC1=CC(F)=CC(F)=C1 F20987 [0,2,0,0,0,0|1,0,0]=3 263 B12R1.119 O=S(=O)(Cl)CC1=CC=CC(Br)=C1 S11987 [0,2,0,0,0,0|1,0,1]=4 264 B12R1.438 CC(=O)NC1=CC=CC(CS)=C1 D91521 [0,2,0,0,0,0|2,0,0]=4 265 B12R1.438 COC1=CC=CC(NC(N)=O)=C1 L10046 [0,2,0,0,0,0|2,0,0]=4 266 B12R1.438 CSC1=CC(CC(=O)O)=CC=C1 W18883 [0,2,0,0,0,0|0,0,0]=2 267 B10R1.66 O=C(O)\C=C/C1=CC=CS1 D86404 [0,0,1,1,0,0|1,0,1]=4 268 B10R1.66 O=C(O)\C=C\C1=CC=CN1 D87751 [0,0,1,1,0,0|1,0,1]=4 269 B10R2.7 C1=CC2=C(C=C1)OC=C2 D88596 [1,0,0,1,0,0|0,0,1]=3 270 B10R2.7 C1=CC2=C(C=C1)[S+]=CS2 D88761 [1,0,0,1,0,0|1,1,0]=4 271 B12R2.24 OC1=NC2=CC=CC=C2N=C1 P50007 [0,0,0,1,0,1|1,0,1]=4 272 B12R2.2057 C1=CC=C(OC[C@H]2CO2)C=C1 T72863 [0,0,0,1,0,1|1,0,1]=4 273 B12R2.606 FC1=CC2=C(C=C1)N=C(S)O2 AC4312 [0,1,0,1,0,0|1,1,0]=4 274 B12R2.606 NC1=CC2=C(C=C1)N=C(S)O2 51516 [0,1,0,1,0,0|1,1,0]=4 275 B12R2.606 NC1=NC2=C(C=C(F)C=C2)O1 P11628 [0,1,0,1,0,0|2,0,0]=4 276 B12R2.606 O=C1CC2=C(C=C(O)C=C2)N1 S11541 [0,1,0,1,0,0|1,0,0]=3 277 B12R2.606 O=C1NC2=C(C=C(I)C=C2)O1 D78645 [0,1,0,1,0,0|1,0,0]=3 278 B12R2.606 S=C1NC2=C(C=C(Br)C=C2)O1 C15388 [0,1,0,1,0,0|1,1,0]=4 279 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 D87899 [0,1,0,1,0,0|1,0,0]=3 280 B12R2.18 NC1C2=C(C=CC=C2)CC1O 32663 [0,1,0,1,0,0|1,0,1]=4 281 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@H]1O D86558 [0,1,0,1,0,0|1,0,1]=4 282 B12R2.18 OC1CC2=C(C=CC=C2)C1O D90171 [0,1,0,1,0,0|0,0,2]=4 283 B12R2.32 CCC1=CC2=C(C=CC=C2)O1 D97187 [0,1,0,1,0,0|1,0,1]=4 284 B12R2.32 COC1=NC2=C(C=CC=C2)N1 D87080 [0,1,0,1,0,0|2,0,0]=4 285 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 AC5785 [0,1,0,1,0,0|1,0,1]=4 286 B12R2.202 CC1=NC2=C(C=CC=C2N)O1 AC5951 [0,1,0,1,0,0|2,0,0]=4 287 B12R2.202 O=C1NC2=CC=CC(F)=C2O1 AC2178 [0,1,0,1,0,0|1,0,0]=3 288 B8R1.8 OCCN1C=CC=C1 T72813 [1,0,0,0,1,0|1,0,1]=4 289 B8R1.7 CC(=O)C1=CCC=C1 77833 [0,0,0,0,2,0|1,0,1]=4 290 B8R1.7 O=C(Cl)C1=CSC=C1 AT17064 [0,0,0,0,2,0|2,0,0]=4 291 B8R1.7 O=C(O)C1=CC=NN1 W10252 [0,0,0,0,2,0|2,0,0]=4 292 B8R1.7 O=C(O)C1=CN=CN1 VT1381 [0,0,0,0,2,0|2,0,0]=4 293 B8R1.7 O=C([O-])C1=CC=CS1 D80257 [0,0,0,0,2,0|1,0,1]=4 294 B12R1.252 CC(=O)CSCC1=CC=CC=C1 D85829 [0,0,0,0,0,2|1,0,0]=3 295 B12R1.252 O=C(O)CCCC1=CC=NC=C1 C16278 [0,0,0,0,0,2|1,0,0]=3 296 B12R1.252 O=C(O)CSCC1=CC=CC=C1 52680 [0,0,0,0,0,2|0,0,0]=2