0 B10R1.20 C#CC1=C(OC)C=CC=N1 A10754 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.20 C=CC1=C(C=C)C=CC=C1 A11741 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.20 C=CC1=C(CO)C=CC=C1 S11028 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.20 CCC1=CC=CN=C1C=O AT24573 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.20 COC1=C(C=O)C=NC=N1 AT18299 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.20 COC1=C(CCl)C=NC=N1 F30438 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.20 COC1=NC=CN=C1CN D77026 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.20 COC1=NN=CC=C1CN F30455 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.15 CC1=C(C=O)C=NN=C1 AT10311 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.15 CC1=CC=NN=C1C=O AT10310 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.15 CC1=[13C](C=O)C=CC=C1 D98794 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.15 COC1=C(N)N=NC=C1 D86048 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.15 COC1=CN=CN=C1Br D88097 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.15 COC1=NN=CC=C1N D74369 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.15 O=CC1=C(F)C=CN=C1 P10446 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.37 C#CC1=C(OC)C=CC(N)=C1 AT26781 [0,1,0,0,0,0|0,0,2]=3 16 B11R1.37 CCC1=C(C=O)C=C(O)C=C1 C91311 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.37 COC1=C(C#N)N=C(Cl)C=C1 AT10101 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.37 COC1=C(C=O)C=C(C)C=N1 D74457 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.37 COC1=CC(Br)=NC=C1C=O D76576 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.37 COC1=NC=C(Br)C=C1CN Y14112 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.41 COCC1=C(CO)C=CC=C1 C16099 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.53 CC(C)C1=CC=CN=C1C=O AT24574 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.53 C[C@H](N)C1=C(CO)C=CC=C1 N14391 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.53 C[C@H](N)C1=C(CO)C=CC=C1 Y12531 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.265 CCC1=C(Br)C=CC=C1OC W15772 [0,1,0,0,0,0|0,0,2]=3 26 B11R1.265 COC1=C(N)C=CC=C1C#N AT10652 [0,1,0,0,0,0|1,0,1]=3 27 B11R1.265 COC1=NC=CC(F)=C1C#N P15135 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.265 COC1=NC=CC(I)=C1OC D74372 [0,1,0,0,0,0|2,0,1]=4 29 B11R2.1 BrC1=NOC2=C1C=CC=C2 D77128 [0,0,0,1,0,0|2,0,0]=3 30 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E73009 [0,0,0,1,0,0|2,0,1]=4 31 B11R2.1 NC1=C2C=CC=CC2=NO1 AC2203 [0,0,0,1,0,0|3,0,0]=4 32 B11R2.1 N[C@H]1COC2=C1C=CC=C2 F16957 [0,0,0,1,0,0|1,0,1]=3 33 B11R2.20 C1=CC2=C(CCCO2)N=C1 85303 [0,0,0,1,0,0|1,0,2]=4 34 B9R1.14 COC1=CSC=C1CN C92311 [0,0,0,0,1,0|2,0,1]=4 35 B9R1.14 COC1=NSC=C1C=O AT11784 [0,0,0,0,1,0|3,0,0]=4 36 B8R1.2 C[13CH2]C1=CC=CC=C1 D98792 [2,0,0,0,0,0|1,0,0]=3 37 B8R1.5 OC1=C(F)C=CN=C1 98163 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.2 CC1=C(C=O)C=CN=C1F AC7965 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.2 CCC1=C(C)C(C)=CC=C1 T73080 [1,1,0,0,0,0|0,0,2]=4 40 B10R1.2 COC1=C(I)C(N)=CN=C1 D74406 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.2 NCC1=CC=CC(F)=C1O D85259 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.2 O=CC1=C(O)C(Br)=NC=C1 D73604 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.25 CC1=CC(F)=CN=C1C=O P19560 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.25 COC1=C(Br)C=C(F)N=C1 H10310 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.25 COC1=C(Br)C=C(N)N=C1 P18768 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.25 COC1=C(I)C=C(C)C=N1 D74393 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.25 COC1=C(N)N=C(Cl)C=C1 AT10100 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.25 COC1=NC=C(C)C=C1O D74379 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.25 CSC1=C(Br)C=C(N)C=C1 D87910 [1,1,0,0,0,0|1,1,0]=4 50 B10R1.25 N#CC1=C(O)C=C(I)C=C1 D76835 [1,1,0,0,0,0|1,0,1]=4 51 B10R1.25 O=CC1=CN=C(Cl)C=C1O AC9110 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.25 O=CC1=NC=C(Br)C=C1O AT21333 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.30 C#CC1=C(O)C=CC(N)=C1 AC8460 [1,1,0,0,0,0|0,0,2]=4 54 B10R1.30 C=CC1=C(F)C=CC(O)=C1 AC8373 [1,1,0,0,0,0|1,0,0]=3 55 B10R1.30 COC1=C(F)C=CC(F)=N1 AT14289 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.30 COC1=C(N)C=CC(I)=N1 AT11695 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.30 COC1=CC(O)=CN=C1Cl P11886 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.30 CSC1=C(C)C=CC(N)=C1 AT20855 [1,1,0,0,0,0|0,1,1]=4 59 B10R1.30 CSC1=C(F)C=CC(Br)=C1 E72635 [1,1,0,0,0,0|1,1,0]=4 60 B10R1.30 CSC1=C(O)C=CC(F)=C1 C11142 [1,1,0,0,0,0|1,0,1]=4 61 B10R1.61 CN(C)C1=C(O)C=CC=C1 AT26775 [1,1,0,0,0,0|1,0,1]=4 62 B10R1.61 C[C@H](O)C1=C(N)C=CC=C1 D75506 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.61 OC1=C(C(F)F)C=CC=C1 AT20035 [1,1,0,0,0,0|1,0,1]=4 64 B10R1.245 CC1=CN=CC(F)=C1C=O AT23108 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.245 COC1=C(Br)C=CN=C1Br D76094 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.245 COC1=C(Br)C=CN=C1Cl D76095 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.245 COC1=C(O)C=CC=C1C AT19440 [1,1,0,0,0,0|0,0,1]=3 68 B10R1.245 CSC1=C(I)C=CC=C1Cl D85832 [1,1,0,0,0,0|1,1,0]=4 69 B10R1.245 O=CC1=C(I)C=CC=C1I AT18530 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.46 C=CC1=C(C(=O)O)C=C(Cl)C=C1 D77884 [0,2,0,0,0,0|2,0,0]=4 71 B12R1.46 COC1=C(C(C)=O)C=C(C)C=N1 D74378 [0,2,0,0,0,0|1,0,1]=4 72 B12R1.46 COC1=C(C(F)F)C=C(N)C=C1 AT26538 [0,2,0,0,0,0|1,0,1]=4 73 B12R1.46 COC1=C([C@H](C)O)C=C(F)C=C1 F52411 [0,2,0,0,0,0|0,0,2]=4 74 B12R1.46 COC1=CC=C(C)N=C1C(C)=O AT25055 [0,2,0,0,0,0|1,0,1]=4 75 B12R1.57 COC1=C(C(=O)O)C=CC(F)=N1 AC9249 [0,2,0,0,0,0|2,0,0]=4 76 B12R1.57 COC1=CC(Br)=NC=C1C(=O)O C91420 [0,2,0,0,0,0|2,0,0]=4 77 B12R1.78 COC1=C(C#N)C=CC(CBr)=C1 E10134 [0,2,0,0,0,0|1,0,1]=4 78 B12R1.78 COC1=C(CN)C=CC(C#N)=C1 D86042 [0,2,0,0,0,0|1,0,1]=4 79 B12R1.78 COC1=CC(OC)=C(C=O)C=N1 97683 [0,2,0,0,0,0|2,0,0]=4 80 B12R1.234 COC1=CC(Br)=CC(F)=C1C#N 95547 [0,2,0,0,0,0|1,0,1]=4 81 B12R1.75 O=CC1=CC=CN=C1OC(F)F D84767 [0,2,0,0,0,0|2,0,0]=4 82 B12R1.261 C[C@H](N)C1=C(C(N)=O)C=CC=C1 Y14057 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.437 CCC1=CC=CC(O)=C1C(=O)O D76421 [0,2,0,0,0,0|2,0,0]=4 84 B12R1.1879 CCC1=CC=CC(OC)=C1CO AT24260 [0,2,0,0,0,0|1,0,1]=4 85 B10R1.172 [C-]#[N+]C1=CC=CC(OC)=C1 AC9601 [0,0,1,1,0,0|1,0,1]=4 86 B10R1.176 COC1=CC(I)=C(F)C=C1 79389 [0,0,1,1,0,0|2,0,0]=4 87 B10R2.7 C1=CC2=C(C=C1)[Se]C=C2 AC9469 [1,0,0,1,0,0|0,1,0]=3 88 B10R2.7 C1=CC2=C(C=N1)CCO2 D75261 [1,0,0,1,0,0|1,0,1]=4 89 B10R2.7 C1=CC2=C(C=N1)OC=C2 C73709 [1,0,0,1,0,0|1,0,0]=3 90 B12R2.24 IC1=CC2=NC=CC=C2C=C1 F13952 [0,1,0,1,0,0|1,0,1]=4 91 B12R2.24 [2H]C1=CC2=CC=CC=C2N=C1 AC4553 [0,1,0,1,0,0|1,0,1]=4 92 B12R2.24 [2H]C1=CC=C2C=CC=NC2=C1 AC4557 [0,1,0,1,0,0|1,0,1]=4 93 B12R2.24 [2H]C1=CC=C2N=CC=CC2=C1 AC4556 [0,1,0,1,0,0|1,0,1]=4 94 B12R2.24 [2H]C1=NC2=CC=CC=C2C=C1 AC4552 [0,1,0,1,0,0|1,0,1]=4 95 B12R2.132 CC1=CNC2=C1C=C(N)C=C2 AT22652 [0,1,0,1,0,0|2,0,0]=4 96 B12R2.132 N[C@H]1COC2=C1C=C(Br)C=C2 33360 [0,1,0,1,0,0|1,0,1]=4 97 B12R2.132 N[C@H]1COC2=C1C=C(F)C=C2 N11246 [0,1,0,1,0,0|1,0,1]=4 98 B12R2.132 OC1=CC2=C(C=C1)OC[C@@H]2O AT23844 [0,1,0,1,0,0|1,0,1]=4 99 B12R2.132 O[C@H]1COC2=C1C=C(Cl)C=C2 AT23846 [0,1,0,1,0,0|1,0,1]=4 100 B12R2.132 O[C@H]1COC2=C1C=C(F)C=C2 AT23851 [0,1,0,1,0,0|1,0,1]=4 101 B12R2.132 [2H]C1=CC2=C(C=C1)C=CN2C AC5657 [0,1,0,1,0,0|1,0,0]=3 102 B12R2.612 CC1=CC2=C(C=C1)C(Cl)=NO2 O10990 [0,1,0,1,0,0|2,0,0]=4 103 B12R2.612 NC1=CC2=C(C=C1)C(=O)CO2 D76407 [0,1,0,1,0,0|1,0,0]=3 104 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 59815 [0,1,0,1,0,0|1,0,1]=4 105 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 F12585 [0,1,0,1,0,0|1,0,1]=4 106 B12R2.612 N[C@H]1COC2=C1C=CC(Cl)=C2 N16513 [0,1,0,1,0,0|1,0,1]=4 107 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 N11243 [0,1,0,1,0,0|1,0,1]=4 108 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 N13249 [0,1,0,1,0,0|1,0,1]=4 109 B12R2.612 O=C1CSC2=C1C=CC(Br)=C2 D76235 [0,1,0,1,0,0|1,1,0]=4 110 B12R2.612 OC1=CC2=C(C=C1)[C@@H](O)CO2 AT23843 [0,1,0,1,0,0|1,0,1]=4 111 B12R2.612 [2H]C1=CC2=C(C=C1)N(C)C=C2 AC4998 [0,1,0,1,0,0|1,0,0]=3 112 B12R2.1 CON1C=CC2=C1C=CC=C2 D76676 [0,1,0,1,0,0|0,0,0]=2 113 B12R2.1 O=CC1=C2C=CC=CC2=NO1 AC6722 [0,1,0,1,0,0|2,0,0]=4 114 B12R2.1 O=C[C@@H]1COC2=C1C=CC=C2 AT24011 [0,1,0,1,0,0|0,0,1]=3 115 B12R2.1 OC[C@H]1COC2=C1C=CC=C2 86172 [0,1,0,1,0,0|0,0,2]=4 116 B12R2.1 OC[C@H]1COC2=C1C=CC=C2 AT24013 [0,1,0,1,0,0|0,0,2]=4 117 B12R2.1 OC[C@H]1COC2=C1C=CC=C2 AT24014 [0,1,0,1,0,0|0,0,2]=4 118 B12R2.18 [2H]C1=CC2=C(C=CC=C2)N1C AC6975 [0,1,0,1,0,0|1,0,0]=3 119 B12R2.315 COC1=CC=CC2=NC=NN12 AC4216 [0,1,0,1,0,0|2,0,0]=4 120 B12R2.315 NCC1=C2OC=CC2=CC=C1 Y14738 [0,1,0,1,0,0|2,0,0]=4 121 B12R2.315 NCC1=CC=CC2=C1C=CO2 C91343 [0,1,0,1,0,0|2,0,0]=4 122 B12R2.1081 BrC1=CN=CC2=CC=CC=C12 12214 [0,1,0,1,0,0|2,0,0]=4 123 B12R2.1081 C=C1CCOC2=C1N=CC=C2 50589 [0,1,0,1,0,0|1,0,0]=3 124 B12R2.1081 O=C1CCOC2=C1C=CC=N2 AT19775 [0,1,0,1,0,0|1,0,1]=4 125 B12R2.1081 O=C1CCOC2=C1C=CN=C2 AT19772 [0,1,0,1,0,0|1,0,1]=4 126 B12R2.1081 O=C1COCC2=C1C=CN=C2 P20308 [0,1,0,1,0,0|2,0,0]=4 127 B12R2.1081 OC1=C2OCCNC2=CC=C1 F20690 [0,1,0,1,0,0|1,0,1]=4 128 B12R2.1081 [2H]C1=C2C=CC=NC2=CC=C1 AC4555 [0,1,0,1,0,0|1,0,1]=4 129 B12R2.1081 [2H]C1=C2N=CC=CC2=CC=C1 AC4558 [0,1,0,1,0,0|1,0,1]=4 130 B12R2.1081 [2H]C1=CC=NC2=CC=CC=C12 AC4554 [0,1,0,1,0,0|1,0,1]=4 131 B12R2.1806 COC1=C2C(=O)CC2=CC=C1 70904 [0,1,0,1,0,0|0,0,1]=3 132 B12R2.196 CN1C=CC2=C1C=CN=C2N C14029 [0,1,0,1,0,0|2,0,0]=4 133 B12R2.196 [2H]C1=CC=CC2=C1C=CN2C AC5544 [0,1,0,1,0,0|1,0,0]=3 134 B12R2.203 ClC1=NOC2=CC=CC(Cl)=C21 AT25191 [0,1,0,1,0,0|2,0,0]=4 135 B12R2.203 FC1=C2C(=CC=C1)ON=C2Cl O10978 [0,1,0,1,0,0|2,0,0]=4 136 B12R2.203 N[C@H]1COC2=CC=CC(Cl)=C21 59814 [0,1,0,1,0,0|1,0,1]=4 137 B12R2.203 N[C@H]1COC2=CC=CC(F)=C21 N11398 [0,1,0,1,0,0|1,0,1]=4 138 B12R2.203 O=C1NOC2=CC=CC(Cl)=C12 75132 [0,1,0,1,0,0|2,0,0]=4 139 B12R2.203 O[C@H]1COC2=CC=CC(Br)=C21 AT23849 [0,1,0,1,0,0|1,0,1]=4 140 B12R2.203 O[C@H]1COC2=CC=CC(Cl)=C21 AT23845 [0,1,0,1,0,0|1,0,1]=4 141 B12R2.203 [2H]C1=C2C(=CC=C1)C=CN2C AC5545 [0,1,0,1,0,0|1,0,0]=3