0 B10R1.13 CC(=O)C1=CN=C(N)N=C1 O10258 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.13 CC(=O)C1=NC=C(O)C=N1 AT23878 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.13 CC1=CC=C([C@H](C)N)N=N1 56579 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.13 CC1=CC=C([C@H](C)N)N=N1 56581 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.13 CC1=CN=C(C(=N)N)N=C1 P13828 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 C91123 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 C92102 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.13 CC1=CN=C([C@H](C)N)C=N1 D96435 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 D96383 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 56587 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 56589 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 90823 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 90824 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 D96354 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.13 C[C@H](N)C1=CN=C(F)C=C1 AC7189 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10692 [0,0,0,0,0,0|2,0,2]=4 16 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10693 [0,0,0,0,0,0|2,0,2]=4 17 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50249 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50317 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.13 C[S@](=O)C1=CN=C(Br)C=C1 22983 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.13 N=C(N)C1=CN=C(Br)C=C1 W17790 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.13 NC(=O)C1=CN=C(Br)N=C1 D76256 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.13 O=C(F)C1=CC=C(F)C=C1 AT22483 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.13 O=C(O)C1=NC=C(O)C=N1 H11150 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.13 O=[S@]([O-])C1=NC=C(Cl)C=C1 D77054 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.13 OC1=CC=C(C(F)F)C=C1 78024 [0,0,0,0,0,0|3,0,1]=4 26 B9R1.1 CC1=CN=C(CBr)C=C1 AC9707 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.1 CCC1=NC=C(O)C=C1 D76529 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.1 COC1=NC=C(C)N=C1 AT23462 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.1 O=CC1=NC=C(O)C=N1 H11149 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.6 C=C(F)C1=CC=CC=C1 CS3204 [1,0,0,0,0,0|1,0,1]=3 31 B9R1.6 CN(N)C1=CC=CN=C1 D74848 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.6 CN(N)C1=NC=CC=C1 D86030 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.6 C[P@H](=O)C1=CC=CC=C1 O11981 [1,0,0,0,0,0|1,0,0]=2 34 B11R1.3 CNC1=CN=C([N+](=O)[O-])C=C1 D86002 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.3 CNC1=NC=C(C(=N)N)C=C1 AT24739 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.3 COC1=CN=C([C@H](C)N)C=C1 N14204 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.3 C[C@H](O)C1=CC=C(C=O)C=C1 D74867 [0,1,0,0,0,0|0,0,3]=4 38 B11R1.3 NCC1=NC=C(C(=O)O)C=N1 AT18397 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.3 NCC1=NC=C(C(N)=O)C=C1 O11498 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.3 O=C(O)C1=CC=C(CF)C=C1 E72963 [0,1,0,0,0,0|1,0,0]=2 41 B11R1.19 CC(C)(Br)C1=CC=C(Br)C=C1 AC9251 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.19 CC(C)(F)C1=CC=C(N)C=C1 AT21859 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.19 CC(C)(F)C1=CC=C(O)C=C1 AC6205 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 AT11670 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15910 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.19 CC1=NC=C(S(N)(=O)=O)C=C1 P20529 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.19 CP(C)(=O)C1=CC=C(Br)C=C1 D73584 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.19 C[S@](=N)(=O)C1=CC=C(N)C=C1 AT25737 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.19 O=P(O)(O)C1=CC=C(Br)C=C1 T70400 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.19 [2H]C1=CC=C(S(C)(=O)=O)C=C1 AC5556 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.21 CC1=C(S)C=C(C(=O)O)C=C1 D74668 [0,1,0,0,0,0|1,0,0]=2 52 B11R1.21 CC1=CC(C(=O)O)=NN=C1C AT17788 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 AT24134 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 AT24137 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 D76436 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.21 NC(=O)C1=CN=C(Cl)C(F)=C1 D97046 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=N1 F31272 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.21 NC1=CC(C(=O)O)=CN=C1F AT14227 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=N1 AT23489 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.21 O=C(O)C1=NC(F)=C(Br)C=C1 AT22891 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.21 [BH3-]C1=C(C)C=CC(C(N)=O)=C1 AC8800 [0,1,0,0,0,0|1,0,0]=2 62 B11R1.22 CNC(=S)C1=CC=C(Br)C=C1 AC9075 [0,1,0,0,0,0|1,1,0]=3 63 B11R1.22 COC(=O)C1=CN=C(Br)N=C1 AT22353 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.22 COC(=O)C1=NN=C(F)C=C1 AT24744 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.22 O=C(CBr)C1=NN=C(Cl)C=C1 W11188 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.22 O=C(CO)C1=CN=C(Cl)C=C1 C91057 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 AT17335 [0,1,0,0,0,0|1,0,2]=4 68 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 AT17408 [0,1,0,0,0,0|1,0,2]=4 69 B11R1.166 CC(=O)C1=C(F)C=C(N)C=C1 AT16600 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.166 CC(=O)C1=C(O)N=C(Cl)C=C1 AT20297 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.166 CC(=O)C1=CN=C(Cl)C=C1N AC9826 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.166 CC(=O)C1=NC=C(Br)C=C1O AT21120 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.166 CC(C)C1=C(F)C=C(N)C=C1 AT16598 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.166 CC1=CC(Br)=C([C@H](C)N)C=C1 C92023 [0,1,0,0,0,0|1,0,1]=3 75 B11R1.166 CC1=CC(Br)=C([C@H](C)N)C=C1 C92046 [0,1,0,0,0,0|1,0,1]=3 76 B11R1.166 CC1=CC(Cl)=C([C@H](C)Br)C=C1 AT15344 [0,1,0,0,0,0|1,0,1]=3 77 B11R1.166 CC1=CC(Cl)=C([C@H](C)N)C=C1 D96376 [0,1,0,0,0,0|1,0,1]=3 78 B11R1.166 CC1=CC(Cl)=C([N+](=O)[O-])C=N1 P12234 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.166 C[C@H](N)C1=C(Br)C=C(Cl)C=C1 C91974 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.166 C[C@H](N)C1=C(Br)C=C(Cl)C=C1 C91977 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.166 C[C@H](N)C1=C(Br)C=C(F)C=C1 C92027 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.166 C[C@H](N)C1=C(Br)C=C(F)C=C1 C92048 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.166 C[C@H](N)C1=C(Cl)C=C(Br)C=C1 D96375 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.166 NC(=O)C1=NC=C(F)C=C1N AT14793 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.166 NC1=CC(S)=C(C(=O)O)C=C1 AT21193 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.166 O=C(O)C1=C(I)C=C(Br)N=C1 AT12762 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.166 O=C(O)C1=C(I)C=C(Cl)N=C1 P12286 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.166 O=C(O)C1=C(O)N=C(Br)C=C1 AC4834 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.166 [2H]C1=C(N(C)C)C=CC(Cl)=C1 AC5651 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.166 [2H]C1=C(N(C)C)C=CC(F)=C1 AC5650 [0,1,0,0,0,0|3,0,0]=4 91 B11R2.34 FC1=CC=C(C2CC2)C=C1 AC9033 [0,0,0,1,0,0|2,0,1]=4 92 B9R1.35 CC(=O)C1=CC(Br)=CO1 AT15600 [0,0,0,0,1,0|2,0,0]=3 93 B9R1.35 CC(=O)C1=CC(N)=NN1 P14350 [0,0,0,0,1,0|3,0,0]=4 94 B9R1.35 CC(=O)C1=CNC(Br)=C1 AC9410 [0,0,0,0,1,0|2,0,0]=3 95 B9R1.35 CC(=O)C1=NN(C)C=N1 91785 [0,0,0,0,1,0|3,0,0]=4 96 B9R1.35 CC1=CC(C(=O)O)=CO1 AT17486 [0,0,0,0,1,0|2,0,0]=3 97 B9R1.35 CC1=CC=C([C@H](C)N)O1 D96335 [0,0,0,0,1,0|2,0,1]=4 98 B9R1.35 CC1=CC=C([C@H](C)N)O1 D96391 [0,0,0,0,1,0|2,0,1]=4 99 B9R1.35 CC1=CC=C([C@H](C)N)O1 Y12181 [0,0,0,0,1,0|2,0,1]=4 100 B9R1.35 CC1=COC(C(=O)O)=C1 P12603 [0,0,0,0,1,0|2,0,0]=3 101 B9R1.35 CC1=COC(C(=O)O)=N1 94252 [0,0,0,0,1,0|3,0,0]=4 102 B9R1.35 O=C(O)C1=COC(Cl)=C1 AT17316 [0,0,0,0,1,0|3,0,0]=4 103 B9R1.35 O=C(O)C1=CSC(F)=C1 P10264 [0,0,0,0,1,0|3,0,0]=4 104 B11R1.20 CC(=O)NC1=CN=C(Br)C=N1 D76261 [0,0,0,0,0,1|3,0,0]=4 105 B11R1.20 CC1=CN=C(CC(=O)[O-])C=N1 C92933 [0,0,0,0,0,1|3,0,0]=4 106 B11R1.20 C[C@H](N)CC1=CC=C(I)C=C1 A10374 [0,0,0,0,0,1|2,0,1]=4 107 B11R1.20 O=C(O)CC1=CN=C(F)C=C1 AT23306 [0,0,0,0,0,1|3,0,0]=4 108 B11R1.20 O=C(O)CC1=CNC(=O)C=C1 D86041 [0,0,0,0,0,1|3,0,0]=4 109 B8R1.2 C[13CH2]C1=CC=CC=C1 D98792 [2,0,0,0,0,0|0,0,1]=3 110 B10R1.1 O=CCC1=CN=C(Br)C=C1 AC9639 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.3 CCC1=NC=C(C=O)C=C1 53643 [1,1,0,0,0,0|1,0,0]=3 112 B10R1.3 CNC1=CC=C(NC)C=C1 AT11002 [1,1,0,0,0,0|1,0,0]=3 113 B10R1.25 CC1=CC(Cl)=C(C=O)C=N1 AT24663 [1,1,0,0,0,0|1,0,0]=3 114 B10R1.25 CC1=CC(F)=CN=C1C=O P19560 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.25 COC1=C(I)C=C(C)C=N1 D74393 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.25 COC1=NC=C(C)C=C1O D74379 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.25 CSC1=C(Br)C=C(N)C=C1 D87910 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.25 O=CC1=CN=C(Cl)C=C1O AC9110 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.25 O=CC1=NC=C(Br)C=C1O AT21333 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.176 CC1=C(Br)C=C(CN)C=C1 AC7764 [1,1,0,0,0,0|1,0,1]=4 121 B10R1.176 COC1=CC(I)=C(F)C=C1 79389 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.176 COC1=CN=C(C)C(N)=C1 AT11250 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.176 CSC1=CC(Br)=C(O)C=C1 C14584 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.176 CSC1=CC(N)=C(N)C=C1 AT20962 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.176 NC1=C(Br)C=CC(C=O)=C1 AT23717 [1,1,0,0,0,0|1,0,0]=3 126 B10R1.176 O=CC1=CC(Br)=C(F)C=N1 AT22892 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.176 O=CC1=CC(Cl)=C(F)C=N1 AT23488 [1,1,0,0,0,0|2,0,0]=4 128 B10R1.176 O=CC1=CC=C(F)C(Br)=N1 54870 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.176 O=CC1=CNC(=O)C(I)=C1 D74794 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.176 O=CC1=NC(F)=C(Br)C=C1 AT22890 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 C12342 [1,1,0,0,0,0|1,0,1]=4 132 B10R1.15 C[C@H](ON)C1=CC=CC=C1 D74249 [1,1,0,0,0,0|0,0,2]=4 133 B10R1.15 NC[C@H](F)C1=CC=CC=C1 E72838 [1,1,0,0,0,0|1,0,1]=4 134 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 72623 [1,1,0,0,0,0|1,0,1]=4 135 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 AC4819 [1,1,0,0,0,0|1,0,1]=4 136 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11733 [1,1,0,0,0,0|1,0,1]=4 137 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 W11734 [1,1,0,0,0,0|1,0,1]=4 138 B10R1.15 O=C(CBr)C1=CN=CN=C1 O10670 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.61 CN(C)C1=C(O)C=CC=C1 AT26775 [1,1,0,0,0,0|2,0,0]=4 140 B10R1.61 C[C@H](O)C1=C(N)C=CC=C1 D75506 [1,1,0,0,0,0|0,0,2]=4 141 B10R1.61 O=C(O)C1=C(S)C=CN=C1 AT16203 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.113 CC(=O)C1=NC(C)=CC=N1 P10715 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.113 CC1=CC=CC([S@](=O)[O-])=C1 C14953 [1,1,0,0,0,0|2,0,0]=4 144 B10R1.14 COC(=O)C1=CC(Cl)=CN1 P18992 [0,1,0,0,1,0|2,0,0]=4 145 B10R1.14 COC(=O)C1=CC(O)=CN1 D75981 [0,1,0,0,1,0|2,0,0]=4 146 B10R1.31 CCC1=CC=C(C(=O)O)N1 D74884 [0,1,0,0,1,0|2,0,0]=4 147 B10R1.31 COC1=NSC(C(C)=O)=C1 AT11832 [0,1,0,0,1,0|2,0,0]=4 148 B10R1.59 CC1=CN(N)C(C(N)=O)=C1 P11521 [0,1,0,0,1,0|2,0,0]=4 149 B10R1.194 CC(=O)C1=C(F)N(C)N=C1 E73005 [0,1,0,0,1,0|2,0,0]=4 150 B10R1.194 CC1=CSC(C(=O)O)=C1N 35392 [0,1,0,0,1,0|2,0,0]=4 151 B12R1.4 C#CC1=CC=C(NC(C)=O)C=C1 D75638 [0,1,0,0,0,1|0,0,1]=3 152 B12R1.4 CC(=O)NC1=CC=C(O[13CH3])C=C1 41458 [0,1,0,0,0,1|0,0,0]=2 153 B12R1.20 CC1=CC=C([C@@H](C)C(=O)O)C=C1 Y11047 [0,1,0,0,0,1|1,0,0]=3 154 B12R1.20 CC1=CC=C([C@@H](F)C(=O)O)C=C1 AC9335 [0,1,0,0,0,1|1,0,0]=3 155 B12R1.20 CC1=CC=C([C@@H](N)[C@H](C)O)C=C1 N15706 [0,1,0,0,0,1|0,0,2]=4 156 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Br)C=C1 D85983 [0,1,0,0,0,1|2,0,0]=4 157 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Br)C=C1 D86053 [0,1,0,0,0,1|2,0,0]=4 158 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Br)C=C1 D87730 [0,1,0,0,0,1|2,0,0]=4 159 B12R1.20 NC1=CC=C([C@@H](N)C(=O)O)C=C1 N14372 [0,1,0,0,0,1|2,0,0]=4 160 B12R1.106 CS(C)(=O)=NC1=CC=C(Br)C=C1 AT18486 [0,1,0,0,0,1|2,0,0]=4 161 B12R1.106 CS(C)(=O)=NC1=CC=C(N)C=C1 AT18477 [0,1,0,0,0,1|2,0,0]=4 162 B12R1.106 C[S@](=N)(=O)CC1=CC=C(Cl)C=C1 E72405 [0,1,0,0,0,1|2,0,0]=4 163 B12R1.233 CC1=CC=C(CC(=O)O)C(Cl)=N1 AT21641 [0,1,0,0,0,1|2,0,0]=4 164 B12R1.233 O=C(O)CC1=C(I)C=C(Br)C=C1 D85730 [0,1,0,0,0,1|2,0,0]=4 165 B12R1.233 O=C(O)CC1=C(I)C=C(Cl)C=C1 D85731 [0,1,0,0,0,1|2,0,0]=4 166 B12R1.233 O=C(O)CC1=C(I)C=C(F)C=C1 AT25194 [0,1,0,0,0,1|2,0,0]=4 167 B12R1.5 C#CC1=CC=C(C(=O)NC)C=C1 D75637 [0,2,0,0,0,0|0,0,1]=3 168 B12R1.5 COC(=O)C1=CN=C(CN)N=C1 P12852 [0,2,0,0,0,0|2,0,0]=4 169 B12R1.5 COC(=O)C1=CN=C(CN)N=C1 P14737 [0,2,0,0,0,0|2,0,0]=4 170 B12R1.6 NCC1=CC=C(P(=O)(O)O)C=C1 D74914 [0,2,0,0,0,0|2,0,0]=4 171 B12R1.113 CC#CC1=CC=C(C(=O)O)C=C1 C74152 [0,2,0,0,0,0|1,0,0]=3 172 B12R1.256 CC(=O)C1=CN=C(C(F)F)C=C1 E73013 [0,2,0,0,0,0|1,0,0]=3 173 B12R1.256 C[C@H](N)C1=CC=C(N(C)C)C=C1 Y11595 [0,2,0,0,0,0|1,0,1]=4 174 B12R1.452 COC1=CC(Br)=C([C@H](C)N)C=C1 C92025 [0,2,0,0,0,0|1,0,1]=4 175 B12R1.452 COC1=CC(Br)=C([C@H](C)N)C=C1 C92056 [0,2,0,0,0,0|1,0,1]=4 176 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 E72732 [0,2,0,0,0,0|1,0,1]=4 177 B12R1.452 NCC1=CC(F)=C([N+](=O)[O-])C=C1 F53652 [0,2,0,0,0,0|2,0,0]=4 178 B12R1.452 NCC1=CC(F)=C([N+](=O)[O-])C=C1 O10084 [0,2,0,0,0,0|2,0,0]=4 179 B12R1.452 O=CC1=CC(O)=C(C(=O)O)C=C1 O11231 [0,2,0,0,0,0|1,0,1]=4 180 B12R1.23 CC1=C(F)C=C(C(C)(C)N)C=C1 AT22342 [0,2,0,0,0,0|1,0,1]=4 181 B12R1.23 CC1=C(N)C=CC(P(C)(C)=O)=C1 AT21927 [0,2,0,0,0,0|2,0,0]=4 182 B12R1.23 CP(C)(=O)C1=CC(F)=C(N)C=C1 AT21933 [0,2,0,0,0,0|2,0,0]=4 183 B12R1.126 CC1=CC(I)=C(S(=O)(=O)Cl)C=C1 AT11639 [0,2,0,0,0,0|2,0,0]=4 184 B12R1.56 COC1=C(F)C=NC(C(C)=O)=C1 AT26885 [0,2,0,0,0,0|2,0,0]=4 185 B12R1.56 NCC1=C(F)C=CC(C(=O)O)=C1 AC6784 [0,2,0,0,0,0|2,0,0]=4 186 B12R1.232 CC1=C(Cl)C=C(C(=O)O)C(Cl)=N1 AT21679 [0,2,0,0,0,0|2,0,0]=4 187 B12R1.232 CC1=C(Cl)C=C(O)C(C(=O)O)=C1 AC7035 [0,2,0,0,0,0|2,0,0]=4 188 B12R1.232 CC1=CC(F)=C(I)C=C1C(=O)O AT25998 [0,2,0,0,0,0|2,0,0]=4 189 B12R1.232 O=C(O)C1=C(Br)C=C(O)C(F)=C1 AT17981 [0,2,0,0,0,0|2,0,0]=4 190 B12R1.232 O=C(O)C1=CC(F)=C(Cl)C=C1O D76073 [0,2,0,0,0,0|2,0,0]=4 191 B12R1.232 O=C(O)C1=CC(O)=C(Br)C=C1F AT11232 [0,2,0,0,0,0|2,0,0]=4 192 B12R1.232 O=C(O)C1=CC(O)=C(Cl)C=C1Cl D76122 [0,2,0,0,0,0|2,0,0]=4 193 B12R1.367 CC1=C(Cl)C=C(\C(C)=N\O)C=C1 D72579 [0,2,0,0,0,0|0,0,1]=3 194 B12R1.367 CCC(=O)C1=CC(Cl)=C(O)C=C1 AT26585 [0,2,0,0,0,0|1,0,0]=3 195 B12R1.367 COC(=O)C1=CC(N)=C(Cl)C=N1 AT24932 [0,2,0,0,0,0|2,0,0]=4 196 B12R1.367 COC(=O)C1=CN=C(Br)C(Br)=C1 AT24221 [0,2,0,0,0,0|2,0,0]=4 197 B12R1.367 COC(=O)C1=CN=C(Br)C(N)=C1 D85762 [0,2,0,0,0,0|2,0,0]=4 198 B12R1.367 COC(=O)C1=CN=C(C)C(N)=C1 AT14218 [0,2,0,0,0,0|1,0,0]=3 199 B12R1.367 COC(=O)C1=CN=C(F)C(N)=C1 AT14234 [0,2,0,0,0,0|2,0,0]=4 200 B12R1.367 COC(=O)C1=CN=C(I)C(Cl)=C1 AT24238 [0,2,0,0,0,0|2,0,0]=4 201 B12R1.367 COC(=O)C1=CN=C(I)C(F)=C1 AT24237 [0,2,0,0,0,0|2,0,0]=4 202 B12R1.367 COC(=O)C1=NC(C)=C(N)C=C1 89605 [0,2,0,0,0,0|2,0,0]=4 203 B12R1.367 COC(=O)C1=NC=C(O)C(C)=C1 P12287 [0,2,0,0,0,0|2,0,0]=4 204 B12R1.893 CC1=C(C(=O)O)C=CC(F)=C1Br AT21197 [0,2,0,0,0,0|2,0,0]=4 205 B12R1.893 CN1C=CC(C(=O)O)=C(O)C1=O AT19249 [0,2,0,0,0,0|2,0,0]=4 206 B12R1.1005 O=C(O)C1=CC(Br)=C(F)C(O)=C1 AT11235 [0,2,0,0,0,0|2,0,0]=4 207 B12R1.1703 COC(=O)C1=C(I)C=C(Br)C=N1 AT22218 [0,2,0,0,0,0|2,0,0]=4 208 B12R1.1703 COC(=O)C1=C(I)C=C(Cl)N=C1 AT19633 [0,2,0,0,0,0|2,0,0]=4 209 B12R1.1703 COC(=O)C1=NC=C(O)C=C1C AC8222 [0,2,0,0,0,0|2,0,0]=4 210 B12R1.1000 CC1=CC(Br)=CC(Br)=C1C(=O)O AC8815 [0,2,0,0,0,0|2,0,0]=4 211 B12R1.1000 CC1=CC(Br)=CC(C)=C1C(N)=O AT22851 [0,2,0,0,0,0|2,0,0]=4 212 B12R1.1000 O=C(O)C1=C(I)C=C(Br)C=C1I AT18566 [0,2,0,0,0,0|2,0,0]=4 213 B12R1.1000 O=C(O)C1=C(I)C=C(F)C=C1I AT18563 [0,2,0,0,0,0|2,0,0]=4 214 B10R2.6 C1=CC=C(C2CC2)C=C1 W16080 [1,0,0,1,0,0|1,0,1]=4 215 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 89380 [1,0,0,1,0,0|1,0,1]=4 216 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 89381 [1,0,0,1,0,0|1,0,1]=4 217 B12R2.606 CC1=CC2=C(C=C1)N=C(Cl)O2 AC6003 [0,0,0,1,0,1|1,0,1]=4 218 B12R2.606 CC1=CC2=C(C=N1)CC(=O)N2 D72985 [0,0,0,1,0,1|2,0,0]=4 219 B12R2.606 NC1=CC2=C(C=N1)NC(=O)C2 D72978 [0,0,0,1,0,1|2,0,0]=4 220 B12R2.606 O=C1NC2=C(C=C(O)C=C2)S1 AC8237 [0,0,0,1,0,1|2,0,0]=4 221 B12R2.9 CNC1=CC=C(C2CC2)C=C1 AC8470 [0,1,0,1,0,0|1,0,1]=4 222 B12R2.291 CC1=C(C)C=C(C2CC2)C=C1 AC9677 [0,1,0,1,0,0|1,0,1]=4 223 B12R2.612 CC1=CC2=C(C=C1)B(O)OC2 D73935 [0,1,0,1,0,0|1,0,1]=4 224 B12R2.612 CC1=CC2=C(C=C1)C(Cl)=NO2 O10990 [0,1,0,1,0,0|1,0,1]=4 225 B12R2.612 NC1=CC2=C(C=C1)C(=O)CO2 D76407 [0,1,0,1,0,0|1,0,0]=3 226 B12R2.612 NC1=CN=C2C(=O)OCC2=C1 AT26563 [0,1,0,1,0,0|2,0,0]=4 227 B12R2.612 O=C1CCC2=C1C=CC(Br)=N2 D72218 [0,1,0,1,0,0|2,0,0]=4 228 B12R2.612 O=C1CCC2=CC(Cl)=NC=C12 AT11786 [0,1,0,1,0,0|2,0,0]=4 229 B12R2.612 O=C1CSC2=C1C=CC(Br)=C2 D76235 [0,1,0,1,0,0|1,0,0]=3 230 B12R2.2302 CC1=CC=C(C2CCC2)C=C1 F53454 [0,1,0,1,0,0|1,0,1]=4 231 B8R1.1 CC1=CC(C=O)=NS1 F14135 [1,0,0,0,1,0|2,0,0]=4 232 B8R1.1 CC1=COC(C=O)=C1 P11782 [1,0,0,0,1,0|1,0,0]=3 233 B8R1.1 O=CC1=CC(Cl)=CN1 P10223 [1,0,0,0,1,0|2,0,0]=4 234 B8R1.1 O=CC1=CC(F)=CS1 D74660 [1,0,0,0,1,0|2,0,0]=4 235 B8R1.1 O=CC1=CC=C(F)S1 87160 [1,0,0,0,1,0|2,0,0]=4 236 B8R1.1 O=CC1=CNC(I)=C1 AC9285 [1,0,0,0,1,0|2,0,0]=4 237 B8R1.7 CC(=O)C1=NSC=C1 AT21125 [1,0,0,0,1,0|2,0,0]=4 238 B10R1.18 CC(=O)CC1=NC=CC=N1 P10714 [1,0,0,0,0,1|2,0,0]=4 239 B10R1.18 O=C(Cl)NC1=CC=CC=C1 D86031 [1,0,0,0,0,1|1,0,0]=3 240 B10R1.18 O=C(O)CC1=CC=CC=C1 AT24078 [1,0,0,0,0,1|1,0,0]=3 241 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 D74777 [0,0,0,0,0,2|2,0,0]=4