0 B12R2.612 CC1=CC2=C(C=C1)B(O)OC2 D73935 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.612 CC1=CC2=C(C=C1)C(Cl)=NO2 O10990 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.612 CC1=CC2=C(C=N1)C(I)=NN2 AT24665 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.612 CC1=NC=C2C(=C1)NN=C2N AT20053 [0,0,0,0,0,0|4,0,0]=4 4 B12R2.612 ClC1=CN=C2C(Br)=CNC2=C1 D76364 [0,0,0,0,0,0|4,0,0]=4 5 B12R2.612 ClC1=CN=C2C(Br)=NNC2=N1 D72157 [0,0,0,0,0,0|4,0,0]=4 6 B12R2.612 ClC1=NSC2=C1C=CC(Br)=C2 AT19021 [0,0,0,0,0,0|1,2,0]=3 7 B12R2.612 NC1=CC2=C(C=C1)C(=O)CO2 D76407 [0,0,0,0,0,0|2,0,1]=3 8 B12R2.612 NC1=CC2=C(C=C1)C(Br)=CS2 F13553 [0,0,0,0,0,0|3,1,0]=4 9 B12R2.612 NC1=NNC2=C1C=CC(O)=C2 D86129 [0,0,0,0,0,0|3,0,0]=3 10 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 59815 [0,0,0,0,0,0|2,0,1]=3 11 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 F12585 [0,0,0,0,0,0|2,0,1]=3 12 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 N16513 [0,0,0,0,0,0|2,0,1]=3 13 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 N11243 [0,0,0,0,0,0|2,1,1]=4 14 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 N13249 [0,0,0,0,0,0|2,1,1]=4 15 B12R2.612 O=C1CCC2=CC(Cl)=NC=C12 AT11786 [0,0,0,0,0,0|3,0,1]=4 16 B12R2.612 O=C1CSC2=C1C=CC(Br)=C2 D76235 [0,0,0,0,0,0|1,2,1]=4 17 B12R2.612 OC1=CC2=C(C=C1)[C@@H](O)CO2 AT23843 [0,0,0,0,0,0|2,0,1]=3 18 B11R2.1 BrC1=NOC2=C1C=CC=C2 D77128 [1,0,0,0,0,0|1,0,0]=2 19 B11R2.1 NC1=C2C=CC=CC2=NO1 AC2203 [1,0,0,0,0,0|3,0,0]=4 20 B11R2.1 N[C@H]1COC2=C1C=CC=C2 F16957 [1,0,0,0,0,0|2,0,1]=4 21 B11R2.1 OC1=CSC2=C1C=CN=C2 AT25103 [1,0,0,0,0,0|2,1,0]=4 22 B11R2.36 BrC1=CC2=C(C=C1)C=NS2 O11556 [1,0,0,0,0,0|0,2,0]=3 23 B11R2.36 BrC1=CN2N=NC=C2C=C1 AT11043 [1,0,0,0,0,0|2,1,0]=4 24 B11R2.36 CC1=CC2=NN=CN2C=C1 D74513 [1,0,0,0,0,0|3,0,0]=4 25 B11R2.36 CC1=NC=C2C=NNC2=C1 AT24664 [1,0,0,0,0,0|3,0,0]=4 26 B11R2.36 ClC1=CN2C=NC=C2C=N1 P20768 [1,0,0,0,0,0|3,0,0]=4 27 B11R2.36 ClC1=CN2N=CC=C2C=C1 AT22590 [1,0,0,0,0,0|3,0,0]=4 28 B11R2.36 FC1=CN=C2C=NNC2=C1 P11922 [1,0,0,0,0,0|2,1,0]=4 29 B11R2.36 IC1=CN=C2C=COC2=C1 D74385 [1,0,0,0,0,0|2,1,0]=4 30 B11R2.36 NC1=CC2=C(C=CS2)C=C1 F51265 [1,0,0,0,0,0|2,1,0]=4 31 B11R2.36 NC1=CC2=NSC=C2C=C1 AC2202 [1,0,0,0,0,0|3,0,0]=4 32 B11R2.36 OC1=CC2=NN=CN2C=C1 D74510 [1,0,0,0,0,0|3,0,0]=4 33 B13R2.662 N#CC1=NNC2=C1C=CC(F)=C2 C91930 [0,1,0,0,0,0|2,1,0]=4 34 B13R2.662 NCC1=NOC2=C1C=CC(Br)=C2 93321 [0,1,0,0,0,0|1,1,0]=3 35 B13R2.662 NCC1=NOC2=C1C=CC(F)=C2 95568 [0,1,0,0,0,0|1,1,0]=3 36 B13R2.662 O=CC1=NOC2=C1C=CC(F)=C2 93327 [0,1,0,0,0,0|0,1,1]=3 37 B13R2.662 OCC1=NOC2=C1C=CC(Cl)=C2 93317 [0,1,0,0,0,0|0,0,0]=1 38 B13R2.662 OCC1=NOC2=C1C=CC(F)=C2 93326 [0,1,0,0,0,0|0,1,0]=2 39 B13R2.2130 CC1=COC2=C1C=CC(C=O)=C2 98468 [0,1,0,0,0,0|3,0,0]=4 40 B13R2.2130 CC1=NOC2=C1C=CC(C=O)=C2 D77028 [0,1,0,0,0,0|2,0,0]=3 41 B13R2.2130 COC1=CC2=C(C=C1)C(Br)=NN2 20298 [0,1,0,0,0,0|3,0,0]=4 42 B13R2.5180 NC1=NNC2=C1C=CC(Br)=C2F AT24068 [0,1,0,0,0,0|2,1,0]=4 43 B13R2.5180 O[C@H]1CCC2=C1C=CC(Cl)=C2Br AT26144 [0,1,0,0,0,0|2,0,1]=4 44 B13R2.5187 CN1N=C(F)C2=C1C=C(Br)C=C2 AT16101 [0,1,0,0,0,0|2,1,0]=4 45 B13R2.5187 C[C@@H]1NC(=O)C2=C1C=C(Cl)C=C2 D72989 [0,1,0,0,0,0|1,0,2]=4 46 B13R2.11634 CC1=NNC2=CC(Br)=C(Cl)C=C21 AT21944 [0,1,0,0,0,0|2,1,0]=4 47 B13R2.11634 ClC1=CC2=C(C=C1Br)NN=C2I AT21942 [0,1,0,0,0,0|2,1,0]=4 48 B13R2.11642 CC1=CC(Br)=C2C(=C1)NN=C2N 51635 [0,1,0,0,0,0|3,0,0]=4 49 B13R2.11642 NC1=CC(F)=C2C(=C1)NN=C2Cl P10515 [0,1,0,0,0,0|3,0,0]=4 50 B13R2.11642 NC1=NNC2=CC(F)=CC(Br)=C21 51637 [0,1,0,0,0,0|2,1,0]=4 51 B11R1.22 O=C(CO)C1=CN=C(Cl)C=C1 C91057 [0,0,1,0,0,0|2,0,1]=4 52 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 AT17335 [0,0,1,0,0,0|1,1,1]=4 53 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 AT17408 [0,0,1,0,0,0|1,1,1]=4 54 B11R1.166 CC(=O)C1=C(O)N=C(Cl)C=C1 AT20297 [0,0,1,0,0,0|2,0,1]=4 55 B11R1.166 NC1=CC(S)=C(C(=O)O)C=C1 AT21193 [0,0,1,0,0,0|2,1,0]=4 56 B11R1.166 O=C(O)C1=C(I)C=C(Cl)N=C1 P12286 [0,0,1,0,0,0|3,0,0]=4 57 B11R1.166 O=C(O)C1=C(O)N=C(Br)C=C1 AC4834 [0,0,1,0,0,0|2,1,0]=4 58 B13R2.3683 CC1=NC=C2C=C(Br)C=CC2=N1 91139 [0,0,0,0,0,1|2,1,0]=4 59 B13R2.3683 ClC1=CC=C2N=C(Br)N=CC2=C1 AC8211 [0,0,0,0,0,1|2,0,0]=3 60 B13R2.3683 ClC1=NN=C2C=C(Br)C=CC2=C1 AT20866 [0,0,0,0,0,1|2,1,0]=4 61 B13R2.3683 FC1=CN=C2C=C(Cl)C=CC2=C1 AT16383 [0,0,0,0,0,1|3,0,0]=4 62 B13R2.3683 FC1=NN=C2C=C(Br)C=CC2=C1 AT20868 [0,0,0,0,0,1|2,1,0]=4 63 B13R2.3683 NC1=CC=C2C=C(Cl)N=CC2=C1 D74437 [0,0,0,0,0,1|3,0,0]=4 64 B13R2.3683 NC1=CC=C2N=C(N)N=CC2=C1 D74584 [0,0,0,0,0,1|3,0,0]=4 65 B13R2.3683 O=C1COC2=C(C=CC(O)=C2)N1 AT20434 [0,0,0,0,0,1|2,0,1]=4 66 B13R2.3683 OC1=CN=C2C=C(Cl)C=NC2=C1 K10131 [0,0,0,0,0,1|3,0,0]=4 67 B13R2.3683 OC1=NN=C2C=C(Br)C=CC2=C1 AT20864 [0,0,0,0,0,1|1,1,0]=3 68 B13R2.5179 C=C1COCC2=C1C=CC(Br)=C2 AT16087 [0,0,0,0,0,1|2,1,0]=4 69 B13R2.5179 CC1=C2C=CC(Br)=CC2=CN=C1 D75503 [0,0,0,0,0,1|2,1,0]=4 70 B13R2.5179 CC1=C2C=CC(Cl)=CC2=CN=C1 D75502 [0,0,0,0,0,1|2,0,0]=3 71 B13R2.5179 CC1=CC=C2C(=C1)N=CN=C2N D74591 [0,0,0,0,0,1|3,0,0]=4 72 B13R2.5179 ClC1=CC=C2C(=C1)C=NN=C2Cl P11442 [0,0,0,0,0,1|2,0,0]=3 73 B13R2.5179 ClC1=CC=C2C(Cl)=NC=CC2=N1 58276 [0,0,0,0,0,1|3,0,0]=4 74 B13R2.5179 NC1=C2C=CC(F)=CC2=CN=C1 K10009 [0,0,0,0,0,1|2,1,0]=4 75 B13R2.5179 NC1=C2C=CC(F)=CC2=NC=N1 D74556 [0,0,0,0,0,1|2,1,0]=4 76 B13R2.5179 O=C1CCOC2=C1C=CC(Cl)=N2 AT13337 [0,0,0,0,0,1|2,0,1]=4 77 B13R2.5179 O=C1COCC2=C1C=CC(Cl)=C2 AT26633 [0,0,0,0,0,1|1,0,1]=3 78 B10R1.25 O=CC1=CN=C(Cl)C=C1O AC9110 [1,0,1,0,0,0|1,0,1]=4 79 B10R2.7 C1=CC2=C(C=C1)[Se]C=C2 AC9469 [2,0,0,0,0,0|1,1,0]=4 80 B10R2.7 C1=CC2=C(C=N1)OC=C2 C73709 [2,0,0,0,0,0|2,0,0]=4 81 B12R1.367 CC1=C(Cl)C=C(\C(C)=N\O)C=C1 D72579 [0,1,1,0,0,0|2,0,0]=4 82 B12R1.367 OC[C@H](O)C1=CC(F)=C(Cl)C=C1 D74559 [0,1,1,0,0,0|1,0,1]=4 83 B12R1.232 CC1=C(Cl)C=C(O)C(C(=O)O)=C1 AC7035 [0,1,1,0,0,0|1,0,0]=3 84 B12R1.232 O=C(O)C1=CC(F)=C(Cl)C=C1O D76073 [0,1,1,0,0,0|1,0,0]=3 85 B12R1.232 O=C(O)C1=CC(O)=C(Cl)C=C1Cl D76122 [0,1,1,0,0,0|2,0,0]=4 86 B12R1.452 O=CC1=CC(O)=C(C(=O)O)C=C1 O11231 [0,1,1,0,0,0|2,0,0]=4 87 B12R1.1000 CC1=CC(Cl)=CC(O)=C1B(O)O 96457 [0,1,1,0,0,0|2,0,0]=4 88 B12R1.1000 OB(O)C1=C(Cl)C=C(Cl)C=C1O 96458 [0,1,1,0,0,0|2,0,0]=4 89 B12R2.1 OC[C@H]1COC2=C1C=CC=C2 86172 [1,1,0,0,0,0|1,0,1]=4 90 B12R2.1 OC[C@H]1COC2=C1C=CC=C2 AT24013 [1,1,0,0,0,0|1,0,1]=4 91 B12R2.1 OC[C@H]1COC2=C1C=CC=C2 AT24014 [1,1,0,0,0,0|1,0,1]=4 92 B12R2.132 ClC1=NSC2=C1C=C(Br)C=C2 AT19019 [1,1,0,0,0,0|1,1,0]=4 93 B12R2.132 FC1=CC2=C(C=C1)SN=C2Cl AT19023 [1,1,0,0,0,0|1,1,0]=4 94 B12R2.132 FC1=NNC2=C1C=C(Br)C=C2 AC2044 [1,1,0,0,0,0|2,0,0]=4 95 B12R2.132 OC1=CC2=C(C=C1)OC[C@@H]2O AT23844 [1,1,0,0,0,0|1,0,1]=4 96 B12R2.132 O[C@H]1COC2=C1C=C(Cl)C=C2 AT23846 [1,1,0,0,0,0|1,0,1]=4 97 B12R2.132 O[C@H]1COC2=C1C=C(F)C=C2 AT23851 [1,1,0,0,0,0|1,0,1]=4 98 B12R2.203 ClC1=NOC2=CC=CC(Cl)=C21 AT25191 [1,1,0,0,0,0|1,0,0]=3 99 B12R2.203 ClC1=NSC2=CC=CC(Br)=C21 AT19020 [1,1,0,0,0,0|1,1,0]=4 100 B12R2.203 FC1=C2C(=CC=C1)ON=C2Cl O10978 [1,1,0,0,0,0|1,0,0]=3 101 B12R2.203 FC1=NNC2=CC=CC(Br)=C21 AT22909 [1,1,0,0,0,0|2,0,0]=4 102 B12R2.203 O=C1NOC2=CC=CC(Cl)=C12 75132 [1,1,0,0,0,0|0,0,2]=4 103 B12R2.203 O[C@H]1COC2=CC=CC(Br)=C21 AT23849 [1,1,0,0,0,0|1,0,1]=4 104 B12R2.203 O[C@H]1COC2=CC=CC(Cl)=C21 AT23845 [1,1,0,0,0,0|1,0,1]=4 105 B12R2.44 BrCC1=CC2=C(C=C1)C=NN2 W18990 [1,1,0,0,0,0|1,1,0]=4 106 B12R2.44 ClCC1=CN2C=NC=C2C=C1 55181 [1,1,0,0,0,0|2,0,0]=4 107 B12R2.44 NCC1=CC2=C(C=CO2)C=C1 AT26015 [1,1,0,0,0,0|2,0,0]=4 108 B12R2.44 NCC1=CC2=C(C=CO2)C=C1 F20182 [1,1,0,0,0,0|2,0,0]=4 109 B12R2.82 CC1=C(O)C2=C(C=C1)C=NN2 P13994 [1,1,0,0,0,0|2,0,0]=4 110 B12R2.82 ClC1=C(Cl)C2=CN=CN2C=C1 AT13888 [1,1,0,0,0,0|2,0,0]=4 111 B12R2.82 ClC1=C(I)C2=C(C=C1)NN=C2 AT22647 [1,1,0,0,0,0|2,0,0]=4 112 B12R2.82 FC1=C(Br)C=CC2=C1OC=C2 AC4215 [1,1,0,0,0,0|1,1,0]=4 113 B12R2.82 FC1=C(Cl)C=CN2C=NC=C12 AT25588 [1,1,0,0,0,0|2,0,0]=4 114 B12R2.82 NC1=C(Cl)C=CC2=C1C=NN2 AT22648 [1,1,0,0,0,0|2,0,0]=4 115 B12R2.100 ClC1=C(I)C=C2C=NNC2=N1 AT18491 [1,1,0,0,0,0|2,0,0]=4 116 B12R2.100 NC1=CC2=C(C=C1N)NN=C2 78774 [1,1,0,0,0,0|2,0,0]=4 117 B12R2.246 ClC1=CC2=C(C=CO2)C(Cl)=N1 D77133 [1,1,0,0,0,0|2,0,0]=4 118 B12R2.246 ClC1=CC2=CN=CN2C(Cl)=C1 C91445 [1,1,0,0,0,0|2,0,0]=4 119 B14R2.2332 COC1=NC=C2C=C(Br)C=CC2=N1 D71281 [0,1,0,0,0,1|1,1,0]=4 120 B14R2.2332 COC1=NN=C2C=C(Br)C=CC2=C1 AT22080 [0,1,0,0,0,1|1,1,0]=4 121 B14R2.8235 NC1=N[N+]([O-])=C2C=C(Cl)C=CC2=N1 W18705 [0,1,0,0,0,1|2,0,0]=4 122 B14R2.29369 NC1=NC=C2C(=N1)C=CC(Cl)=C2F AT24756 [0,1,0,0,0,1|2,0,0]=4 123 B14R2.29369 N[C@@H]1C2=C(C=C(Cl)C=C2)OC[C@@H]1O 58538 [0,1,0,0,0,1|1,0,1]=4 124 B14R2.8751 O=C1NN=C(Br)C2=C1C=C(Cl)C=C2 AT14855 [0,1,0,0,0,1|2,0,0]=4 125 B14R2.28472 ClC1=CC2=NC=NC(Cl)=C2C=C1I AT26724 [0,1,0,0,0,1|2,0,0]=4 126 B14R2.152 COC1=CC2=C(C=C1)C(C#N)=NO2 28146 [0,2,0,0,0,0|2,0,0]=4 127 B14R2.300 O=C(O)C1=NOC2=C1C=CC(F)=C2 93328 [0,2,0,0,0,0|0,1,0]=3 128 B12R1.233 O=C(O)CC1=C(I)C=C(Cl)C=C1 D85731 [0,0,1,0,0,1|2,0,0]=4