0 B10R1.18 CC(=O)CC1=NC=CN=C1 P10609 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.18 C[C@H](Br)CC1=CC=CC=C1 75436 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.18 C[C@H](N)CC1=CC=CN=C1 S12145 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 AT26580 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.8 CCOC1=CN=NC=C1 C16860 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.8 CNCC1=NC=CN=C1 P10399 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.8 CNCC1=NC=NC=C1 AT18327 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.8 CNCC1=NC=NC=C1 I11999 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.8 CSCC1=CC=CC=C1 D88728 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.8 CSCC1=CN=CC=C1 E72352 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.8 C\C=C/C1=CC=CC=C1 D91456 [1,0,0,0,0,0|0,0,2]=3 11 B9R1.8 C\C=C\C1=CC=CC=C1 H10852 [1,0,0,0,0,0|0,0,2]=3 12 B9R1.8 ClCCC1=NC=CC=C1 D83590 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 D91021 [0,1,0,0,0,0|1,0,1]=3 14 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 D88481 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.20 CC1=CC=C(CC(=O)Cl)C=C1 AC5981 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.20 CC1=CC=C(OC(F)F)C=C1 F20986 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.20 N=C(N)NC1=CC=C(Br)C=C1 D95501 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.20 NC(=S)CC1=CC=C(Cl)C=C1 A10506 [0,1,0,0,0,0|1,0,1]=3 19 B11R1.20 O=C(Cl)CC1=CC=C(Cl)C=C1 S10930 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 28966 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.36 CC(C)C(=O)C1=CN=CC=C1 N12503 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 F16873 [0,1,0,0,0,0|1,0,0]=2 23 B11R1.36 CC(C)[C@H](N)C1=CC=NC=C1 F30606 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.36 C[C@H](Br)C(=O)C1=CC=CC=C1 F14834 [0,1,0,0,0,0|1,0,1]=3 25 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 A11584 [0,1,0,0,0,0|1,0,1]=3 26 B11R1.36 O=C(O)[C@H](F)C1=CC=CC=C1 22843 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.36 O=C([O-])[C@H](O)C1=CC=CC=C1 D91272 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.40 CCN(C)CC1=CC=CC=C1 AB10334 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.40 COC(=O)CC1=CC=NC=C1 31807 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.40 C[C@@H](CN)OC1=CC=CC=C1 77458 [0,1,0,0,0,0|1,0,0]=2 31 B11R1.40 C[C@@H](CO)OC1=CC=CC=C1 98060 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.40 NC[C@@H](O)CC1=CC=CC=C1 AR2912 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.86 CC(=O)CC1=C(C)C=CC=C1 N12425 [0,1,0,0,0,0|1,0,1]=3 34 B11R1.86 CC(=O)OC1=C(F)C=CC=C1 F13223 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.86 CC(C)OC1=C(Br)C=NC=C1 N11835 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.86 CN(C)CC1=C(F)C=CC=C1 L10043 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.86 CN(C)CC1=C(N)C=CC=C1 F18327 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.86 CN(C)CC1=C([Pd+2])C=CC=C1 D90232 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.86 N=C(N)NC1=C(F)C=CC=C1 25412 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.86 NC(=O)CC1=C(N)C=CC=C1 D78598 [0,1,0,0,0,0|1,0,1]=3 41 B11R1.86 NC(=O)NC1=C(Br)C=CC=C1 H11652 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.86 O=C(Cl)CC1=C(Cl)C=CC=C1 D97686 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.86 O=C(Cl)CC1=C(F)C=CC=C1 A10511 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.157 CC(=O)OC1=CC=CC(Br)=C1 76449 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.157 CC(C)OC1=CC=CC(Br)=N1 E72076 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.157 CC(C)SC1=CC=CC(Br)=C1 AT26737 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.157 CC1=CC=CC(NC(N)=S)=C1 S12350 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.157 O=C(Cl)CC1=CC(F)=CC=C1 C13922 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.509 CC(C)(C)CC1=CC=CC=C1 D92053 [0,1,0,0,0,0|1,0,0]=2 50 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 D88825 [0,1,0,0,0,0|2,0,0]=3 51 B11R2.10 NC1CC2=C(C=CC=C2)C1 75403 [0,0,0,1,0,0|0,0,0]=1 52 B11R2.238 C1=CC=C(C[C@H]2CO2)C=C1 F20875 [0,0,0,1,0,0|1,0,0]=2 53 B9R1.6 CN(C)C1=CC=CC=C1 D95371 [0,0,0,0,1,0|2,0,0]=3 54 B9R1.6 CN(C)C1=CC=CN=C1 N12098 [0,0,0,0,1,0|3,0,0]=4 55 B9R1.6 CN(N)C1=CC=CC=C1 Y14873 [0,0,0,0,1,0|1,0,0]=2 56 B9R1.6 CP(C)C1=CC=CC=C1 D90262 [0,0,0,0,1,0|2,0,0]=3 57 B9R1.6 C[C@H](Cl)C1=CC=CC=C1 A10187 [0,0,0,0,1,0|1,0,0]=2 58 B9R1.6 C[C@H](N)C1=NC=CC=C1 90515 [0,0,0,0,1,0|1,0,0]=2 59 B9R1.6 N=C(N)C1=CC=NC=C1 I11702 [0,0,0,0,1,0|2,0,1]=4 60 B9R1.6 O=[Se](O)C1=CC=CC=C1 D88899 [0,0,0,0,1,0|3,0,0]=4 61 B9R1.13 CC(C)CC1=NNC=C1 AC7490 [0,0,0,0,1,0|3,0,0]=4 62 B9R1.13 CN(C)C=C1C=CC=C1 C76211 [0,0,0,0,1,0|2,0,1]=4 63 B9R1.13 C[C@H](N)CC1=CC=CS1 AT16733 [0,0,0,0,1,0|1,0,0]=2 64 B9R1.13 C[C@H](N)CN1C=CC=N1 AT12541 [0,0,0,0,1,0|2,0,0]=3 65 B11R1.91 C=C(C)OCC1=CC=CC=C1 T70780 [0,0,0,0,0,1|1,0,1]=3 66 B11R1.91 CC(C)=NCC1=CC=CC=C1 92550 [0,0,0,0,0,1|1,0,1]=3 67 B11R1.91 CC(C)CCC1=CC=CC=C1 D91368 [0,0,0,0,0,1|1,0,0]=2 68 B11R1.91 CN(C)CCC1=CC=CC=C1 F12472 [0,0,0,0,0,1|2,0,0]=3 69 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 30788 [0,0,0,0,0,1|0,0,0]=1 70 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 F20201 [0,0,0,0,0,1|0,0,0]=1 71 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 D97163 [0,0,0,0,0,1|1,0,0]=2 72 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 D97164 [0,0,0,0,0,1|1,0,0]=2 73 B11R1.91 N=C(N)COC1=CC=CC=C1 29590 [0,0,0,0,0,1|1,0,1]=3 74 B11R1.91 NC(=O)CSC1=CC=CC=C1 97376 [0,0,0,0,0,1|1,0,1]=3 75 B11R1.91 O=C([O-])COC1=CC=CC=C1 D91898 [0,0,0,0,0,1|2,0,1]=4 76 B8R1.2 BrCC1=NC=CC=C1 D87709 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.2 C#CC1=CC=CC=C1 D90456 [2,0,0,0,0,0|0,0,2]=4 78 B8R1.2 CCC1=CC=CN=C1 D87724 [2,0,0,0,0,0|1,0,0]=3 79 B8R1.2 CCC1=CC=NC=C1 D90449 [2,0,0,0,0,0|1,0,0]=3 80 B8R1.2 CCC1=NC=CC=C1 AT23190 [2,0,0,0,0,0|1,0,0]=3 81 B8R1.2 ClCC1=CC=NC=C1 D88171 [2,0,0,0,0,0|2,0,0]=4 82 B8R1.2 ICC1=CN=CC=C1 AC6646 [2,0,0,0,0,0|2,0,0]=4 83 B8R1.2 NCC1=CC=CC=C1 T70936 [2,0,0,0,0,0|0,0,0]=2 84 B8R1.2 NCC1=CN=CN=C1 P15266 [2,0,0,0,0,0|2,0,0]=4 85 B8R1.2 NNC1=CC=CC=C1 D91920 [2,0,0,0,0,0|1,0,0]=3 86 B8R1.2 NNC1=CC=NC=C1 76124 [2,0,0,0,0,0|2,0,0]=4 87 B8R1.2 NNC1=CC=NC=C1 W10667 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.1 C=CCC1=CC=C(C)C=C1 D76863 [1,1,0,0,0,0|0,0,2]=4 89 B10R1.1 CC1=CC=C(SCCl)C=C1 T70798 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.1 CCCC1=CC=C(C)C=C1 D92007 [1,1,0,0,0,0|0,0,0]=2 91 B10R1.1 CCNC1=CC=C(C)C=C1 D90452 [1,1,0,0,0,0|1,0,0]=3 92 B10R1.1 CCNC1=NC=C(Br)C=C1 97201 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.1 CCOC1=CC=C(Cl)C=C1 D89219 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.1 CCOC1=CC=C(S)C=C1 AT20902 [1,1,0,0,0,0|1,0,0]=3 95 B10R1.1 CCOC1=NC=C(F)C=C1 D74953 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.1 CCOC1=NC=C(N)C=C1 O11589 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.1 CNCC1=CC=C(F)C=C1 26027 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.1 FC1=CC=C(CCCl)C=C1 D90675 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.1 NCCC1=CC=C(F)C=C1 D90699 [1,1,0,0,0,0|0,0,0]=2 100 B10R1.1 NCCC1=CC=C(F)C=C1 D90702 [1,1,0,0,0,0|0,0,0]=2 101 B10R1.1 NNCC1=CC=C(Br)C=C1 P10525 [1,1,0,0,0,0|1,0,0]=3 102 B10R1.1 NNCC1=CC=C(Cl)C=C1 D86183 [1,1,0,0,0,0|1,0,0]=3 103 B10R1.1 NNCC1=CC=C(F)C=C1 P10415 [1,1,0,0,0,0|1,0,0]=3 104 B10R1.4 C=CCC1=C(C)C=CC=C1 D97323 [1,1,0,0,0,0|0,0,2]=4 105 B10R1.4 C=CCC1=C(N)C=CC=C1 D88543 [1,1,0,0,0,0|0,0,2]=4 106 B10R1.4 CC1=C(N=NN)C=CC=C1 D88287 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.4 CCCC1=C(O)C=CC=C1 D86075 [1,1,0,0,0,0|0,0,0]=2 108 B10R1.4 CCCC1=NC=CN=C1C D91392 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.4 CCOC1=C(Cl)C=CC=C1 D89218 [1,1,0,0,0,0|1,0,0]=3 110 B10R1.4 CCOC1=C(N)C=CC=C1 D91895 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.4 COCC1=C(Br)C=CC=C1 CK2442 [1,1,0,0,0,0|1,0,0]=3 112 B10R1.4 NCCC1=C(N)C=CC=C1 51438 [1,1,0,0,0,0|0,0,0]=2 113 B10R1.4 NCCN1C=CC=CC1=O AT13457 [1,1,0,0,0,0|1,0,0]=3 114 B10R1.4 NOCC1=C(Cl)C=CC=C1 D87707 [1,1,0,0,0,0|1,0,0]=3 115 B10R1.4 N\N=C\C1=C(O)C=CC=C1 F15584 [1,1,0,0,0,0|1,0,1]=4 116 B10R1.4 OC1=C(CCBr)C=CC=C1 C78317 [1,1,0,0,0,0|1,0,0]=3 117 B10R1.10 CCCC1=CC(C)=CC=C1 D92006 [1,1,0,0,0,0|0,0,0]=2 118 B10R1.10 CCOC1=CC(O)=CC=C1 CK1178 [1,1,0,0,0,0|1,0,0]=3 119 B10R1.10 CCSC1=CC=CC(Br)=C1 AT20878 [1,1,0,0,0,0|1,0,0]=3 120 B10R1.10 CNCC1=CC=CC(Cl)=C1 L10045 [1,1,0,0,0,0|1,0,0]=3 121 B10R1.10 NNCC1=CC=CC(Br)=C1 P10524 [1,1,0,0,0,0|1,0,0]=3 122 B10R1.10 NNCC1=CC=CC(Cl)=C1 74963 [1,1,0,0,0,0|1,0,0]=3 123 B10R1.10 NNCC1=CC=CC(F)=C1 75838 [1,1,0,0,0,0|1,0,0]=3 124 B10R1.15 C=C[C@H](O)C1=CC=CC=C1 AB10386 [1,1,0,0,0,0|0,0,2]=4 125 B10R1.15 CCN(N)C1=CC=CC=C1 F14622 [1,1,0,0,0,0|1,0,0]=3 126 B10R1.15 CC[C@H](C)C1=CC=CC=C1 N11903 [1,1,0,0,0,0|0,0,0]=2 127 B10R1.15 CN[C@@H](C)C1=CC=NC=C1 AT18177 [1,1,0,0,0,0|2,0,0]=4 128 B10R1.15 CN[C@@H](C)C1=NC=CC=C1 F52397 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.15 C[C@@H](CBr)C1=CC=CC=C1 C80054 [1,1,0,0,0,0|1,0,0]=3 130 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 AT25357 [1,1,0,0,0,0|1,0,0]=3 131 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 AT25361 [1,1,0,0,0,0|1,0,0]=3 132 B10R1.15 C\C(=N/N)C1=CC=CC=C1 I11141 [1,1,0,0,0,0|1,0,1]=4 133 B10R1.15 N#C[C@@H](N)C1=CC=CC=C1 N11950 [1,1,0,0,0,0|0,0,2]=4 134 B10R1.17 C=CCCC1=CC=CC=C1 D91916 [1,1,0,0,0,0|0,0,1]=3 135 B10R1.17 CCC#CC1=CC=CC=C1 D91952 [1,1,0,0,0,0|0,0,1]=3 136 B10R1.17 COCCC1=NC=CC=C1 D91306 [1,1,0,0,0,0|1,0,0]=3 137 B10R1.17 NCC#CC1=CC=CC=C1 AB10165 [1,1,0,0,0,0|0,0,1]=3 138 B10R1.17 NCCNC1=NC=CC=C1 C78639 [1,1,0,0,0,0|1,0,0]=3 139 B10R1.17 NCCNC1=NC=CC=N1 O12010 [1,1,0,0,0,0|2,0,0]=4 140 B10R1.17 NCCNC1=NC=CN=C1 O12008 [1,1,0,0,0,0|2,0,0]=4 141 B10R1.17 NCCOC1=CN=CC=C1 E71907 [1,1,0,0,0,0|1,0,0]=3 142 B10R1.17 OCCNC1=CC=NC=C1 AT18123 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.13 C=C(C)C1=CC=C(Br)C=C1 AC1305 [0,1,0,0,1,0|1,0,1]=4 144 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 N12036 [0,1,0,0,1,0|0,0,0]=2 145 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 D97156 [0,1,0,0,1,0|1,0,0]=3 146 B10R1.13 CN(C)C1=CC=C(N)C=C1 D89717 [0,1,0,0,1,0|2,0,0]=4 147 B10R1.13 C[C@H](Cl)C1=CC=C(Br)C=C1 W15990 [0,1,0,0,1,0|1,0,0]=3 148 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 61144 [0,1,0,0,1,0|0,0,0]=2 149 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 N11998 [0,1,0,0,1,0|0,0,0]=2 150 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y10878 [0,1,0,0,1,0|0,0,0]=2 151 B10R1.13 C[S+](C)C1=CC=C(O)C=C1 D90991 [0,1,0,0,1,0|2,0,0]=4 152 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 F13696 [0,1,0,0,1,0|1,0,1]=4 153 B10R1.28 CC(C)(Cl)C1=CC=CC=C1 A10188 [0,1,0,0,1,0|1,0,0]=3 154 B10R1.61 C=C(C)C1=C(C)C=CC=C1 D91121 [0,1,0,0,1,0|1,0,1]=4 155 B10R1.61 CC1=C(N(C)C)C=CC=C1 D89722 [0,1,0,0,1,0|2,0,0]=4 156 B10R1.61 CC1=CC=CN=C1[C@H](C)N F16866 [0,1,0,0,1,0|1,0,0]=3 157 B10R1.61 NC(=S)C1=C(Br)C=CC=C1 V10037 [0,1,0,0,1,0|1,0,1]=4 158 B10R1.61 NC(=S)C1=C(Cl)C=CC=C1 A10483 [0,1,0,0,1,0|1,0,1]=4 159 B10R1.61 NC(=S)C1=C(F)C=CC=C1 A10480 [0,1,0,0,1,0|1,0,1]=4 160 B10R1.61 NC(=S)C1=C(O)C=CC=C1 A10504 [0,1,0,0,1,0|1,0,1]=4 161 B10R1.113 C=C(C)C1=CC=CC(I)=C1 D86695 [0,1,0,0,1,0|1,0,1]=4 162 B10R1.113 CC(C)C1=CC=CC(O)=C1 D87686 [0,1,0,0,1,0|1,0,0]=3 163 B10R1.113 CC1=CC=CC(C(=N)N)=C1 I11458 [0,1,0,0,1,0|1,0,1]=4 164 B10R1.113 CC1=CC=CC(N(C)N)=C1 T72879 [0,1,0,0,1,0|1,0,0]=3 165 B10R1.113 CN(C)C1=CC(N)=CC=C1 D84323 [0,1,0,0,1,0|2,0,0]=4 166 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 C91518 [0,1,0,0,1,0|2,0,0]=4 167 B10R1.113 FC1=CC(C(F)F)=CC=C1 34821 [0,1,0,0,1,0|2,0,0]=4 168 B10R1.113 FC1=CC=CC(C(Br)Br)=C1 D90657 [0,1,0,0,1,0|2,0,0]=4 169 B10R1.113 N=C(N)C1=CC(N)=CC=C1 F13532 [0,1,0,0,1,0|1,0,1]=4 170 B10R1.113 N=C(N)C1=CC(N)=CC=C1 H11407 [0,1,0,0,1,0|1,0,1]=4 171 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 D87873 [0,1,0,0,1,0|1,0,1]=4 172 B10R1.113 NC(=S)C1=CC(F)=CC=C1 W12701 [0,1,0,0,1,0|1,0,1]=4 173 B10R1.113 NC(=S)C1=CC(O)=CC=C1 A10505 [0,1,0,0,1,0|1,0,1]=4 174 B10R1.113 NC(=S)C1=CC=CC(Br)=C1 A10478 [0,1,0,0,1,0|1,0,1]=4 175 B10R1.23 CC(C)[C@H](N)C1=CC=CS1 N12452 [0,1,0,0,1,0|2,0,0]=4 176 B12R1.21 CC(=O)COC1=CC=C(Cl)C=C1 D78576 [0,1,0,0,0,1|1,0,1]=4 177 B12R1.21 CC(=O)COC1=CC=C(F)C=C1 D78577 [0,1,0,0,0,1|1,0,1]=4 178 B12R1.21 CC(C)CNC1=CC=C(Br)C=C1 F53163 [0,1,0,0,0,1|1,0,0]=3 179 B12R1.21 CC(C)CNC1=NC=C(Br)C=C1 O11389 [0,1,0,0,0,1|2,0,0]=4 180 B12R1.21 CC1=CC=C(OC[C@H](C)O)C=C1 D91440 [0,1,0,0,0,1|1,0,0]=3 181 B12R1.21 N=C(N)NCC1=CC=C(N)C=C1 AC8833 [0,1,0,0,0,1|1,0,1]=4 182 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 D77610 [0,1,0,0,0,1|1,0,0]=3 183 B12R1.27 NCC(=O)OCC1=CC=CC=C1 H11970 [0,1,0,0,0,1|1,0,1]=4 184 B12R1.27 NC[C@H](O)COC1=CC=CC=C1 76907 [0,1,0,0,0,1|1,0,0]=3 185 B12R1.43 CC(C)C(=O)CC1=CC=CC=C1 D88734 [0,1,0,0,0,1|1,0,0]=3 186 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F10693 [0,1,0,0,0,1|1,0,1]=4 187 B12R1.107 CC(C)C[C@H](N)C1=CC=CN=C1 F30605 [0,1,0,0,0,1|2,0,0]=4 188 B12R1.107 CC(C)NC(=O)C1=CC=CC=C1 L10184 [0,1,0,0,0,1|1,0,1]=4 189 B12R1.107 CC(C)N[C@@H](C)C1=CC=CC=C1 L10160 [0,1,0,0,0,1|1,0,0]=3 190 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 C78433 [0,1,0,0,0,1|1,0,1]=4 191 B12R1.125 CC1=C(OC[C@H](C)O)C=CC=C1 D91438 [0,1,0,0,0,1|1,0,0]=3 192 B12R1.125 N=C(N)COC1=C(Cl)C=CC=C1 29603 [0,1,0,0,0,1|1,0,1]=4 193 B12R1.226 CC(=O)NCC1=CC=CC(Br)=C1 C78150 [0,1,0,0,0,1|1,0,1]=4 194 B12R1.226 CC1=CC=CC(OCC(N)=O)=C1 D91460 [0,1,0,0,0,1|1,0,1]=4 195 B12R1.226 CC1=CC=CC(OC[C@H](C)O)=C1 D91439 [0,1,0,0,0,1|1,0,0]=3 196 B12R1.891 CC(C)(C)\N=C\C1=CC=CC=C1 A10209 [0,1,0,0,0,1|1,0,1]=4 197 B12R1.891 C[Si](C)(C)CSC1=CC=CC=C1 D92083 [0,1,0,0,0,1|1,1,0]=4 198 B12R1.891 C[Si](C)(C)NCC1=CC=CC=C1 T70310 [0,1,0,0,0,1|1,1,0]=4 199 B12R1.891 C[Si](C)(C)OCC1=CC=CC=C1 D89173 [0,1,0,0,0,1|1,1,0]=4 200 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 D86769 [0,2,0,0,0,0|2,0,0]=4 201 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 71303 [0,2,0,0,0,0|1,0,1]=4 202 B12R1.19 CC(C)OC1=CC(Cl)=C(Br)C=C1 C15552 [0,2,0,0,0,0|2,0,0]=4 203 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(F)C=C1 96354 [0,2,0,0,0,0|1,0,1]=4 204 B12R1.20 C[C@H](N)[C@H](O)C1=CC=C(Cl)C=C1 AC8012 [0,2,0,0,0,0|0,0,0]=2 205 B12R1.106 CC(C)(N)CC1=CC=C(F)C=C1 75091 [0,2,0,0,0,0|0,0,0]=2 206 B12R1.106 CC1=CC=C(CC(C)(C)O)C=C1 D78400 [0,2,0,0,0,0|1,0,0]=3 207 B12R1.106 FC(F)(F)CC1=CC=C(Br)C=C1 72051 [0,2,0,0,0,0|2,0,0]=4 208 B12R1.233 CC(C)NC1=C(F)C=C(F)C=C1 C77822 [0,2,0,0,0,0|2,0,0]=4 209 B12R1.34 OCC(Br)C(Br)C1=CC=CC=C1 AC6013 [0,2,0,0,0,0|1,0,0]=3 210 B12R1.253 NC(=O)C(F)(F)C1=CC=CC=C1 AC8926 [0,2,0,0,0,0|1,0,1]=4 211 B12R1.32 CN(CCCl)CC1=CC=CC=C1 30794 [0,2,0,0,0,0|2,0,0]=4 212 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB10382 [0,2,0,0,0,0|0,0,0]=2 213 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 23335 [0,2,0,0,0,0|1,0,1]=4 214 B12R1.371 CNC(=O)CC1=C(Br)C=CC=C1 72287 [0,2,0,0,0,0|1,0,1]=4 215 B12R1.75 CC(C)OC1=C(CN)C=CC=C1 C13549 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.75 COC1=C(CC(N)=O)C=CC=C1 C12522 [0,2,0,0,0,0|1,0,1]=4 217 B12R1.75 COC1=C(C[C@H](C)N)C=CC=C1 70935 [0,2,0,0,0,0|0,0,0]=2 218 B12R1.151 CC(C)(N)CC1=C(Br)C=CC=C1 E72146 [0,2,0,0,0,0|0,0,0]=2 219 B12R1.438 CC(C)OC1=CC(CN)=CC=C1 S11094 [0,2,0,0,0,0|2,0,0]=4 220 B12R1.438 CC(C)OC1=CC(CO)=CC=C1 I11298 [0,2,0,0,0,0|2,0,0]=4 221 B12R1.438 CN(C)CC1=CC(CN)=CC=C1 F12762 [0,2,0,0,0,0|2,0,0]=4 222 B10R2.7 C1=CC2=C(C=N1)CNC2 C15858 [1,0,0,1,0,0|2,0,0]=4 223 B12R2.2057 C1=CC(CNC2CC2)=CC=N1 W18555 [0,0,0,1,0,1|2,0,0]=4 224 B12R2.2057 C1=CC=C(OC[C@H]2CO2)C=C1 T72863 [0,0,0,1,0,1|1,0,0]=3 225 B12R2.2057 C1=CN=CC(CNC2CC2)=C1 AC4955 [0,0,0,1,0,1|2,0,0]=4 226 B12R2.606 CC1=NC2=C(C=CC(N)=C2)N1 24730 [0,1,0,1,0,0|1,0,1]=4 227 B12R2.606 CC1=NC2=C(C=CC(N)=C2)N1 O10831 [0,1,0,1,0,0|1,0,1]=4 228 B12R2.606 O=C1CC2=C(C=C(O)C=C2)N1 S11541 [0,1,0,1,0,0|1,0,1]=4 229 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)N1 F11727 [0,1,0,1,0,0|0,0,2]=4 230 B12R2.18 NC1C2=C(C=CC=C2)CC1O 32663 [0,1,0,1,0,0|1,0,0]=3 231 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@H]1O D86558 [0,1,0,1,0,0|1,0,0]=3 232 B12R2.18 OC1CC2=C(C=CC=C2)C1O D90171 [0,1,0,1,0,0|1,0,0]=3 233 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 F14028 [0,1,0,1,0,0|1,0,0]=3 234 B12R2.2075 N[C@H](C1=NC=CC=C1)C2CC2 32628 [0,1,0,1,0,0|2,0,0]=4 235 B12R2.32 COC1=NC2=C(C=CC=C2)N1 D87080 [0,1,0,1,0,0|1,0,1]=4 236 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 AC5785 [0,1,0,1,0,0|0,0,0]=2 237 B12R2.202 CC1=NC2=C(N1)C(N)=CC=C2 D84092 [0,1,0,1,0,0|1,0,1]=4 238 B12R2.1286 BrC1=CC(SC2CC2)=CC=C1 F30463 [0,1,0,1,0,0|2,0,0]=4 239 B8R1.8 CCCC1=CC=CO1 D92136 [1,0,0,0,1,0|1,0,0]=3 240 B8R1.8 CCNC1=CC=CS1 23456 [1,0,0,0,1,0|2,0,0]=4 241 B8R1.8 NCCC1=CC=CS1 F14846 [1,0,0,0,1,0|1,0,0]=3 242 B8R1.8 OCCN1C=CC=C1 T72813 [1,0,0,0,1,0|2,0,0]=4 243 B8R1.7 C[C@H](O)C1=CC=CO1 F17602 [0,0,0,0,2,0|2,0,0]=4 244 B12R1.252 CC(=O)CSCC1=CC=CC=C1 D85829 [0,0,0,0,0,2|1,0,1]=4 245 B12R1.252 CN(C)\C=N\CC1=CC=CC=C1 F53348 [0,0,0,0,0,2|2,0,0]=4