0 B12R2.196 CC1=CC=CC2=C1CNC2=O 80956 [0,0,0,0,1,0|2,0,1]=4 1 B12R2.196 CC1=CC=CC2=C1NN=C2I 75854 [0,0,0,0,1,0|3,0,0]=4 2 B12R2.196 CC1=CC=CN2C(Br)=CN=C12 F30764 [0,0,0,0,1,0|3,0,0]=4 3 B12R2.196 CC1=CN=C2C(Br)=CC=CN12 85758 [0,0,0,0,1,0|3,0,0]=4 4 B12R2.196 CC1=CSC2=C(Cl)C=CN=C12 37520 [0,0,0,0,1,0|3,0,0]=4 5 B12R2.196 CC1=NNC2=C(Br)C=CC=C12 CL3496 [0,0,0,0,1,0|3,0,0]=4 6 B12R2.196 CC1=NOC2=C(Br)C=CC=C12 AC8269 [0,0,0,0,1,0|3,0,0]=4 7 B12R2.196 CN1C=CC2=C(Br)C=CC=C21 69935 [0,0,0,0,1,0|2,0,0]=3 8 B12R2.196 CN1C=CC2=C(Br)C=NC=C21 AT12897 [0,0,0,0,1,0|3,0,0]=4 9 B12R2.196 CN1C=CC2=C(N)C=CN=C21 N10011 [0,0,0,0,1,0|3,0,0]=4 10 B12R2.196 CN1C=CC2=C(O)C=CC=C21 25848 [0,0,0,0,1,0|2,0,0]=3 11 B12R2.196 CN1C=CC2=C1C=CC=C2N 51446 [0,0,0,0,1,0|2,0,0]=3 12 B12R2.196 CN1C=CC2=C1C=CN=C2Cl O11199 [0,0,0,0,1,0|3,0,0]=4 13 B12R2.196 CN1C=NC2=C(Br)C=CC=C21 35894 [0,0,0,0,1,0|3,0,0]=4 14 B12R2.196 CN1C=NC2=C(N)C=CC=C21 O10421 [0,0,0,0,1,0|3,0,0]=4 15 B12R2.196 CN1N=CC2=C(I)C=CC=C21 P11317 [0,0,0,0,1,0|3,0,0]=4 16 B12R2.196 CN1N=CC2=C(O)C=CC=C21 24174 [0,0,0,0,1,0|3,0,0]=4 17 B12R2.196 CN1N=CC2=C1C=CC=C2N 24173 [0,0,0,0,1,0|3,0,0]=4 18 B13R2.4023 BrC1=CC(Br)=C2C=CC=CC=C12 T70297 [1,1,0,0,0,0|1,0,0]=3 19 B13R2.9 CC1=CC=CC2=C1NC=C2CO 71546 [0,1,0,0,1,0|1,0,0]=3 20 B13R2.9 NCC1=CNC2=C(F)C=CC=C12 F17873 [0,1,0,0,1,0|2,0,0]=4 21 B13R2.573 CN1C=CC2=C(C=O)C=CC=C21 36097 [0,1,0,0,1,0|1,0,1]=4 22 B13R2.573 CN1C=CC2=C(CO)C=CN=C21 P15278 [0,1,0,0,1,0|2,0,0]=4 23 B13R2.573 CN1N=CC2=C1C=CC=C2CN 78908 [0,1,0,0,1,0|2,0,0]=4 24 B13R2.573 COC1=C2C=CN(C)C2=NC=C1 P14757 [0,1,0,0,1,0|2,0,0]=4 25 B13R2.3742 CC1=CC(Br)=CN2C(C)=CN=C12 D80843 [0,1,0,0,1,0|2,0,0]=4 26 B13R2.3742 CC1=CNC2=C(Br)C=C(F)C=C12 50163 [0,1,0,0,1,0|2,0,0]=4 27 B13R2.3742 CC1=NNC2=C(C)C=C(Br)C=C12 68320 [0,1,0,0,1,0|2,0,0]=4 28 B13R2.3742 CN1C=CC2=C(F)C=C(F)C=C21 87791 [0,1,0,0,1,0|2,0,0]=4 29 B13R2.4825 CC1=CC=CC2=C1OC(=O)N2C F20193 [0,1,0,0,1,0|2,0,0]=4 30 B13R2.5151 CN1C=CC2=C(Br)C=CC(Cl)=C21 W10466 [0,1,0,0,1,0|2,0,0]=4 31 B13R2.155 CC1=CC=C2C=CC(C)=CC2=C1 71004 [0,0,1,1,0,0|0,0,0]=2 32 B13R2.155 CC1=CC=C2C=CC(C)=NC2=C1 I11455 [0,0,1,1,0,0|1,0,0]=3 33 B13R2.155 CC1=CC=C2C=CC(Cl)=NC2=C1 97613 [0,0,1,1,0,0|2,0,0]=4 34 B13R2.155 CC1=CC=C2C=CC(O)=CC2=C1 N12964 [0,0,1,1,0,0|1,0,0]=3 35 B13R2.155 CC1=CC=C2C=CC(O)=CC2=N1 AC4651 [0,0,1,1,0,0|2,0,0]=4 36 B13R2.155 CC1=CN=C2C=CC(Br)=CC2=C1 AC8709 [0,0,1,1,0,0|2,0,0]=4 37 B13R2.155 CC1=NC=C2C=CC(Cl)=CC2=C1 C72624 [0,0,1,1,0,0|2,0,0]=4 38 B13R2.155 ClC1=CC=C2C=CC(Br)=CC2=C1 74553 [0,0,1,1,0,0|2,0,0]=4 39 B13R2.155 NC1=CC=C2C=CC(N)=CC2=C1 D82402 [0,0,1,1,0,0|2,0,0]=4 40 B13R2.155 NC1=CC=C2C=CC(O)=CC2=C1 C75426 [0,0,1,1,0,0|2,0,0]=4 41 B13R2.155 OC1=CC=C2C=CC(Cl)=CC2=C1 N14581 [0,0,1,1,0,0|2,0,0]=4 42 B13R2.5179 CC1=C2C=CC(Br)=CC2=CC=N1 D79822 [0,0,1,1,0,0|2,0,0]=4 43 B13R2.5179 CC1=C2C=CC(O)=CC2=NC=C1 C72923 [0,0,1,1,0,0|2,0,0]=4 44 B13R2.5179 CC1=C2N=CC(Br)=CC2=CC=C1 P17587 [0,0,1,1,0,0|2,0,0]=4 45 B13R2.5179 CC1=CC2=C(C=C1)C(=O)NC=C2 W11384 [0,0,1,1,0,0|2,0,0]=4 46 B13R2.5179 CC1=CC2=CC=CC(N)=C2N=C1 D72054 [0,0,1,1,0,0|2,0,0]=4 47 B13R2.5179 CC1=CC=C2C(Br)=CC=CC2=N1 AC2042 [0,0,1,1,0,0|2,0,0]=4 48 B13R2.5179 CC1=CC=C2C(Cl)=CC=CC2=N1 H10153 [0,0,1,1,0,0|2,0,0]=4 49 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=C1 C71537 [0,0,1,1,0,0|1,0,0]=3 50 B13R2.5179 CC1=CN=C2C(O)=CC=CC2=C1 D82795 [0,0,1,1,0,0|2,0,0]=4 51 B13R2.5179 CC1=NC2=CC=CC(N)=C2C=C1 76214 [0,0,1,1,0,0|2,0,0]=4 52 B13R2.5179 CC1=NC=C2C(Br)=CC=CC2=C1 D79826 [0,0,1,1,0,0|2,0,0]=4 53 B13R2.5179 NC1=CC=C2C(O)=CC=CC2=C1 A51054 [0,0,1,1,0,0|2,0,0]=4 54 B13R2.5179 OC1=C2C=CC(Br)=CC2=CC=C1 21067 [0,0,1,1,0,0|2,0,0]=4 55 B13R2.5179 OC1=C2C=CC(Cl)=CC2=CC=C1 53844 [0,0,1,1,0,0|2,0,0]=4 56 B13R2.5179 OC1=C2C=CC(F)=CC2=CC=C1 53843 [0,0,1,1,0,0|2,0,0]=4 57 B13R2.5179 OC1=CC=C2C(Br)=CC=CC2=C1 N14953 [0,0,1,1,0,0|2,0,0]=4 58 B13R2.5179 OC1=CC=C2C(F)=CC=CC2=C1 N14954 [0,0,1,1,0,0|2,0,0]=4 59 B11R1.17 O=C\C=C\C1=C(F)C=CC=C1 24137 [0,0,1,0,1,0|2,0,0]=4 60 B11R1.159 CC(=O)C1=C(N)C(C)=CC=C1 W18414 [0,0,1,0,1,0|2,0,0]=4 61 B11R2.106 CC1=C2CC=CC2=CC=C1 Y10332 [1,0,0,0,1,0|0,0,1]=3 62 B11R2.106 CC1=CC=CC2=C1C=CS2 C72689 [1,0,0,0,1,0|1,0,0]=3 63 B11R2.106 CC1=CC=CN2C=CN=C12 F30773 [1,0,0,0,1,0|2,0,0]=4 64 B11R2.106 CC1=NC=CC2=C1C=CN2 P11267 [1,0,0,0,1,0|2,0,0]=4 65 B11R2.106 CC1=NC=CC2=C1NC=C2 76423 [1,0,0,0,1,0|2,0,0]=4 66 B11R2.106 ClC1=C2CC=CC2=CC=C1 C75442 [1,0,0,0,1,0|1,0,1]=4 67 B11R2.106 ClC1=C2OC=CC2=CC=C1 AC5711 [1,0,0,0,1,0|2,0,0]=4 68 B11R2.106 ClC1=C2SC=CC2=CC=C1 82930 [1,0,0,0,1,0|2,0,0]=4 69 B11R2.106 FC1=C2OC=CC2=CC=C1 52893 [1,0,0,0,1,0|2,0,0]=4 70 B11R2.106 FC1=C2SC=CC2=CC=C1 F13949 [1,0,0,0,1,0|2,0,0]=4 71 B11R2.106 FC1=CC=CC2=C1C=CS2 70408 [1,0,0,0,1,0|2,0,0]=4 72 B11R2.106 IC1=C2NC=CC2=CC=C1 94618 [1,0,0,0,1,0|2,0,0]=4 73 B11R2.106 NC1=C2OC=CC2=CC=C1 F20181 [1,0,0,0,1,0|2,0,0]=4 74 B11R2.106 NC1=C2OC=CC2=CC=C1 P16876 [1,0,0,0,1,0|2,0,0]=4 75 B11R2.106 NC1=CC=CC2=C1C=CO2 52950 [1,0,0,0,1,0|2,0,0]=4 76 B11R2.106 NC1=CC=CC2=C1C=CS2 51426 [1,0,0,0,1,0|2,0,0]=4 77 B11R2.106 NC1=CC=CC2=C1C=CS2 Y11369 [1,0,0,0,1,0|2,0,0]=4 78 B11R2.106 OC1=C2OC=CC2=CC=C1 70790 [1,0,0,0,1,0|2,0,0]=4 79 B11R2.1 CC1=CCC2=C1C=CC=C2 C76459 [1,0,0,0,1,0|0,0,1]=3 80 B11R2.1 CC1=CNC2=C1C=CN=C2 P11265 [1,0,0,0,1,0|2,0,0]=4 81 B11R2.1 CC1=CNC2=C1C=NC=C2 P11266 [1,0,0,0,1,0|2,0,0]=4 82 B11R2.1 CC1=CNC2=CC=CN=C12 F13594 [1,0,0,0,1,0|2,0,0]=4 83 B11R2.1 CN1C=CC2=C1C=NC=C2 P18393 [1,0,0,0,1,0|2,0,0]=4 84 B11R2.1 CN1C=CC2=CC=CN=C21 24845 [1,0,0,0,1,0|2,0,0]=4 85 B11R2.1 CN1N=CC2=C1C=CC=C2 P10138 [1,0,0,0,1,0|2,0,0]=4 86 B11R2.1 ClC1=COC2=C1C=CC=C2 F14423 [1,0,0,0,1,0|2,0,0]=4 87 B11R2.1 NC1=CNC2=C1C=CC=C2 51896 [1,0,0,0,1,0|2,0,0]=4 88 B11R2.1 NC1=CSC2=C1C=CC=C2 25380 [1,0,0,0,1,0|2,0,0]=4 89 B11R2.1 O=C1C=CC2=C1C=CC=C2 O10409 [1,0,0,0,1,0|1,0,0]=3 90 B13R2.342 BrC1=CC=CC2=C(Br)C=CN=C12 C71270 [0,0,0,0,1,1|2,0,0]=4 91 B13R2.342 CC1=C2C=CC=C(Br)C2=NC=C1 97750 [0,0,0,0,1,1|1,0,0]=3 92 B13R2.342 CC1=C2C=CC=C(Br)C2=NC=N1 Y10093 [0,0,0,0,1,1|2,0,0]=4 93 B13R2.342 CC1=C2C=CN=C(Cl)C2=CC=C1 Y10371 [0,0,0,0,1,1|1,0,0]=3 94 B13R2.342 CC1=C2N=CC=C(Br)C2=CC=C1 C74859 [0,0,0,0,1,1|1,0,0]=3 95 B13R2.342 CC1=C2N=CC=C(Br)C2=NC=C1 C72694 [0,0,0,0,1,1|2,0,0]=4 96 B13R2.342 CC1=C2N=CC=C(O)C2=CC=C1 C74210 [0,0,0,0,1,1|1,0,0]=3 97 B13R2.342 CC1=C2N=CN=C(Cl)C2=CC=C1 31342 [0,0,0,0,1,1|2,0,0]=4 98 B13R2.342 CC1=CC=NC2=C(N)C=CC=C12 24309 [0,0,0,0,1,1|1,0,0]=3 99 B13R2.342 CC1=NC=CC2=C(C)C=CC=C12 F30682 [0,0,0,0,1,1|0,0,0]=2 100 B13R2.342 ClC1=C2C=CC=C(Br)C2=CC=C1 A12840 [0,0,0,0,1,1|2,0,0]=4 101 B13R2.342 ClC1=C2C=CC=C(Br)C2=CC=N1 58043 [0,0,0,0,1,1|2,0,0]=4 102 B13R2.342 ClC1=C2C=CC=C(I)C2=CC=N1 D71005 [0,0,0,0,1,1|2,0,0]=4 103 B13R2.342 ClC1=C2C=NC=C(Br)C2=CC=C1 33265 [0,0,0,0,1,1|2,0,0]=4 104 B13R2.342 ClC1=NC=CC2=C(Cl)C=CC=C12 80661 [0,0,0,0,1,1|2,0,0]=4 105 B13R2.342 FC1=C2C=CN=C(Cl)C2=CC=C1 80688 [0,0,0,0,1,1|2,0,0]=4 106 B13R2.342 FC1=C2C=NC=C(Br)C2=CC=C1 69667 [0,0,0,0,1,1|2,0,0]=4 107 B13R2.342 IC1=CC=CC2=C(I)C=CC=C12 C90444 [0,0,0,0,1,1|2,0,0]=4 108 B13R2.342 NC1=C2C=CC=C(Br)C2=CC=N1 Y10960 [0,0,0,0,1,1|2,0,0]=4 109 B13R2.342 NC1=C2C=CC=C(Cl)C2=CC=C1 25829 [0,0,0,0,1,1|2,0,0]=4 110 B13R2.342 NC1=C2C=CC=C(Cl)C2=CN=C1 33275 [0,0,0,0,1,1|2,0,0]=4 111 B13R2.342 NC1=C2C=CN=C(Cl)C2=CC=C1 CS1338 [0,0,0,0,1,1|2,0,0]=4 112 B13R2.342 NC1=C2C=NC=C(Br)C2=CC=C1 57058 [0,0,0,0,1,1|2,0,0]=4 113 B13R2.342 NC1=C2N=CC=C(Br)C2=CC=C1 80375 [0,0,0,0,1,1|2,0,0]=4 114 B13R2.342 O=C1NC=CC2=C(Cl)C=CC=C12 69136 [0,0,0,0,1,1|2,0,0]=4 115 B13R2.342 O=C1OC=CC2=C(Br)C=CC=C12 32120 [0,0,0,0,1,1|2,0,0]=4 116 B13R2.342 OC1=C2C=CC=C(Br)C2=CC=C1 Y11133 [0,0,0,0,1,1|2,0,0]=4 117 B13R2.342 OC1=C2C=CC=C(F)C2=CC=C1 W16628 [0,0,0,0,1,1|2,0,0]=4 118 B13R2.342 OC1=C2C=CC=C(F)C2=CC=N1 81016 [0,0,0,0,1,1|2,0,0]=4 119 B13R2.342 OC1=C2C=CC=C(I)C2=CC=C1 AB7355 [0,0,0,0,1,1|2,0,0]=4 120 B13R2.342 OC1=C2C=NC=C(Br)C2=CC=C1 K10065 [0,0,0,0,1,1|2,0,0]=4 121 B13R2.342 OC1=C2N=CC=C(Br)C2=CC=C1 24297 [0,0,0,0,1,1|2,0,0]=4 122 B13R2.342 OC1=NC=CC2=C(O)C=CC=C12 AT25381 [0,0,0,0,1,1|2,0,0]=4