0 B12R2.24 CC1=CC=C2C=CC=CC2=C1 C14098 [0,0,0,0,0,0|1,0,0]=1 1 B12R2.24 NC1=CC=C2C=CC=CC2=C1 C02227 [0,0,0,0,0,0|1,0,0]=1 2 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 C06415 [0,0,0,0,0,0|1,1,0]=2 3 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 C05851 [0,0,0,0,0,0|1,1,0]=2 4 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 C07728 [0,0,0,0,0,0|1,1,2]=4 5 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 C02274 [0,0,0,0,0,0|1,1,2]=4 6 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 C11713 [0,0,0,0,0,0|0,1,0]=1 7 B12R2.24 OC1=NC2=C(C=CC=C2)C=C1 C06338 [0,0,0,0,0,0|1,1,0]=2 8 B11R2.20 C1=CC2=C(C=C1)C=CC=C2 C00829 [1,0,0,0,0,0|0,0,0]=1 9 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 C06323 [1,0,0,0,0,0|1,0,0]=2 10 B11R2.20 C1=CC2=C(C=C1)N=CC=C2 C06413 [1,0,0,0,0,0|1,0,0]=2 11 B11R2.20 C1=CC2=NC=CN=C2C=C1 C18575 [1,0,0,0,0,0|2,0,0]=3 12 B13R2.32 CC1=C(C)C2=CC=CC=C2C=C1 C14329 [0,1,0,0,0,0|1,0,0]=2 13 B13R2.32 O=C1C(O)=CNC2=CC=CC=C12 C11503 [0,1,0,0,0,0|1,1,0]=3 14 B13R2.32 O=C1C=CC2=CC=CC=C2C1=O C14783 [0,1,0,0,0,0|0,1,0]=2 15 B13R2.32 OC1=C(O)C2=C(C=CC=C2)N=C1 C06330 [0,1,0,0,0,0|1,1,0]=3 16 B13R2.32 OC1=CC=C2C=CC=CC2=C1O C03012 [0,1,0,0,0,0|0,1,0]=2 17 B13R2.32 OC1C=CC2=CC=CC=C2C1O C06205 [0,1,0,0,0,0|0,1,2]=4 18 B13R2.32 O[C@H]1C=CC2=C(C=CC=C2)[C@@H]1O C04514 [0,1,0,0,0,0|0,1,2]=4 19 B13R2.32 O[C@H]1C=CC2=C(C=CC=C2)[C@H]1O C04314 [0,1,0,0,0,0|0,1,2]=4 20 B13R2.57 C(=O)C1=CC=C2C=CC=CC2=C1 C14099 [0,1,0,0,0,0|0,1,0]=2 21 B13R2.57 OCC1=CC=C2C=CC=CC2=C1 C02909 [0,1,0,0,0,0|0,1,0]=2 22 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)O1 C09315 [0,1,0,0,0,0|1,1,0]=3 23 B13R2.162 OC1=CC2=C(C=C1)N=CC=C2O C05639 [0,1,0,0,0,0|1,1,0]=3 24 B13R2.162 OC1=CC=CC2=C1N=C(O)C=C2 C06342 [0,1,0,0,0,0|1,1,0]=3 25 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)N1 C16716 [0,1,0,0,0,0|1,1,0]=3 26 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 C20414 [0,1,0,0,0,0|1,1,0]=3 27 B13R2.369 CC1=CC2=C(C=CC=C2)N=C1O C06345 [0,1,0,0,0,0|1,1,0]=3 28 B13R2.369 OC1=CC2=CC=CC=C2C=C1O C16213 [0,1,0,0,0,0|0,1,0]=2 29 B13R2.3683 CC1=CC=C2C=C(C)C=CC2=C1 C14330 [0,1,0,0,0,0|1,0,0]=2 30 B13R2.3683 OC1=CC2=C(C=C1)C=C(Br)C=C2 C14352 [0,1,0,0,0,0|0,1,0]=2 31 B13R2.5179 CC1=CC=C2C(C)=CC=CC2=C1 C14217 [0,1,0,0,0,0|1,0,0]=2 32 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 C05608 [0,0,1,0,0,0|1,1,0]=3 33 B11R1.1 OC\C=C\C1=CC=C(O)C=C1 C02646 [0,0,1,0,0,0|1,1,1]=4 34 B11R1.40 O\N=C(/S)CC1=CC=CC=C1 C03719 [0,0,1,0,0,0|2,0,1]=4 35 B11R1.41 O=CNC1=C(C=O)C=CC=C1 C03574 [0,0,1,0,0,0|2,1,0]=4 36 B11R1.81 [*]\C=C\C1=CC=C(O)C=C1O C18089 [0,0,1,0,0,0|2,1,0]=4 37 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 C00423 [0,0,1,0,0,0|1,1,0]=3 38 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 C10438 [0,0,1,0,0,0|1,1,0]=3 39 B13R3.28 C1=CC=C2C(=C1)C=C[C@@H]3O[C@H]23 C14786 [0,0,0,1,0,0|0,1,2]=4 40 B13R3.28 C1=CC=C2C(=C1)C=C[C@H]3O[C@@H]23 C14787 [0,0,0,1,0,0|0,1,2]=4 41 B11R2.1 CC1=CNC2=C1C=CC=C2 C08313 [0,0,0,0,1,0|2,0,0]=3 42 B11R2.1 NC1=CNC2=CC=CC=C12 C01819 [0,0,0,0,1,0|2,0,0]=3 43 B11R2.1 O=C1CCC2=C1C=CC=C2 C01504 [0,0,0,0,1,0|0,1,2]=4 44 B11R2.1 OC1=CNC2=CC=CC=C12 C05658 [0,0,0,0,1,0|1,1,0]=3 45 B11R2.10 NC1=NC2=C(C=CC=C2)N1 C10901 [0,0,0,0,1,0|3,0,0]=4 46 B11R2.10 O=C1CC2=C(C=CC=C2)N1 C12312 [0,0,0,0,1,0|1,1,1]=4 47 B11R2.10 O=C1CC2=CC=CC=C2C1 C07727 [0,0,0,0,1,0|0,1,2]=4 48 B11R2.10 SC1=NC2=C(C=CC=C2)S1 C14437 [0,0,0,0,1,0|2,0,0]=3 49 B11R2.36 ClC1=CC=C2C=CNC2=C1 C17089 [0,0,0,0,1,0|2,0,0]=3 50 B11R2.36 OC1=CC2=C(C=C1)NC=N2 C21764 [0,0,0,0,1,0|2,1,0]=4 51 B10R1.1 C=CCC1=CC=C(O)C=C1 C16930 [1,0,1,0,0,0|0,1,1]=4 52 B10R1.1 C\C=C\C1=CC=C(O)C=C1 C20464 [1,0,1,0,0,0|0,1,1]=4 53 B10R1.17 O=C\C=C\C1=CC=CC=C1 C00903 [1,0,1,0,0,0|0,1,0]=3 54 B10R1.17 OC\C=C\C1=CC=CC=C1 C02394 [1,0,1,0,0,0|0,1,1]=4 55 B12R1.21 CC(=O)\C=C\C1=CC=C(O)C=C1 C12088 [0,1,1,0,0,0|0,1,1]=4 56 B12R1.21 O=C(O)\C=C/C1=CC=C(O)C=C1 C06738 [0,1,1,0,0,0|1,1,0]=4 57 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 C00811 [0,1,1,0,0,0|1,1,0]=4 58 B12R1.71 COC1=CC=C(\C=C\C=O)C=C1 C10475 [0,1,1,0,0,0|1,1,0]=4 59 B12R1.385 O=C\C=C\C1=CC=C(O)C(O)=C1 C10945 [0,1,1,0,0,0|1,1,0]=4 60 B12R1.125 O=C(O)\C=C/C1=CC=CC=C1O C05838 [0,1,1,0,0,0|1,1,0]=4 61 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O C01772 [0,1,1,0,0,0|1,1,0]=4 62 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 C12621 [0,1,1,0,0,0|1,1,0]=4 63 B12R1.43 O=C(O)\C(O)=C\C1=CC=CC=C1 C02763 [0,1,1,0,0,0|1,1,0]=4 64 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 C06358 [0,1,1,0,0,0|0,1,1]=4 65 B12R1.27 [*]OC(=O)\C=C\C1=CC=CC=C1 C06357 [0,1,1,0,0,0|1,1,0]=4 66 B12R2.1081 CC1=C2C=CC=CC2=CC=C1 C14082 [1,1,0,0,0,0|0,0,0]=2 67 B12R2.1081 NC1=CC=CC2=CC=CC=C12 C14790 [1,1,0,0,0,0|0,0,0]=2 68 B12R2.1081 O=C1NC=CC2=C1C=CC=C2 C06324 [1,1,0,0,0,0|1,0,0]=3 69 B12R2.1081 O=C1NN=CC2=C1C=CC=C2 C14473 [1,1,0,0,0,0|2,0,0]=4 70 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 C18478 [1,1,0,0,0,0|1,0,0]=3 71 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 C19434 [1,1,0,0,0,0|1,0,0]=3 72 B12R2.1081 OC1=CC=CC2=C1C=CC=C2 C11714 [1,1,0,0,0,0|0,0,0]=2 73 B12R2.1081 OC1=CC=NC2=C1C=CC=C2 C06343 [1,1,0,0,0,0|1,0,0]=3 74 B12R2.1081 [O-]C1=CC=CC2=C1N=CC=C2 C18879 [1,1,0,0,0,0|1,0,0]=3 75 B12R2.1 NCC1=CNC2=CC=CC=C12 C21601 [0,1,0,0,1,0|2,0,0]=4 76 B12R2.1 O=CC1=CNC2=C1C=CC=C2 C08493 [0,1,0,0,1,0|1,1,0]=4 77 B12R2.18 C=C1C(=O)NC2=CC=CC=C12 C02796 [0,1,0,0,1,0|2,0,0]=4 78 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O C11129 [0,1,0,0,1,0|1,1,0]=4 79 B12R2.18 OC1=C(O)C2=CC=CC=C2N1 C02775 [0,1,0,0,1,0|1,1,0]=4 80 B12R2.32 CSC1=NC2=C(C=CC=C2)S1 C10910 [0,1,0,0,1,0|2,0,0]=4 81 B12R2.100 O=C1C=C2C=CNC2=CC1=O C05579 [0,1,0,0,1,0|1,1,0]=4 82 B12R2.100 OC1=C(O)C=C2NC=CC2=C1 C05578 [0,1,0,0,1,0|1,1,0]=4 83 B14R2.92 O=CC1=C(O)C2=C(C=CC=C2)C=C1 C11427 [0,2,0,0,0,0|0,1,0]=3 84 B14R2.4513 O=C1C=CC2=C(O1)C(O)=C(O)C=C2 C03093 [0,2,0,0,0,0|1,1,0]=4 85 B14R2.7724 CC1=CC(=O)C2=C(C=CC=C2)C1=O C05377 [0,2,0,0,0,0|1,0,0]=3 86 B14R2.7724 CC1=CC(O)=C2C=CC=CC2=C1O C07126 [0,2,0,0,0,0|1,0,0]=3 87 B14R2.7724 O=C1C=C(Cl)C(=O)C2=C1C=CC=C2 C03753 [0,2,0,0,0,0|1,0,0]=3 88 B14R2.7724 O=C1C=C(O)C(=O)C2=C1C=CC=C2 C10368 [0,2,0,0,0,0|0,1,0]=3 89 B14R2.7724 OC1=C2N=CC=CC2=C(I)C=C1I C07636 [0,2,0,0,0,0|2,0,0]=4 90 B14R2.8188 CC1=C(O)C(=O)C2=CC=CC=C2N1 C11504 [0,2,0,0,0,0|1,1,0]=4 91 B14R2.8188 CC1=NC2=C(C=CC=C2)C(O)=C1O C06331 [0,2,0,0,0,0|1,1,0]=4 92 B14R2.28523 CC1=C2C(=CC=C1)C=CC(O)=C2O C14084 [0,2,0,0,0,0|0,1,0]=3 93 B14R2.134 COC1=CC2=C(C=CC(=O)O2)C=C1 C09268 [0,2,0,0,0,0|1,1,0]=4 94 B14R2.781 O=C(O)C1=CC=C2C=CC=CC2=C1 C14101 [0,2,0,0,0,0|0,1,0]=3 95 B14R2.781 O=C(O)C1=NC2=C(C=CC=C2)C=C1 C06325 [0,2,0,0,0,0|1,1,0]=4 96 B14R2.781 O=[N+]([O-])C1=CC=C2C=CC=CC2=C1 C19474 [0,2,0,0,0,0|0,1,0]=3 97 B14R2.8239 O=C1C=CC2=C(C=C(O)C(O)=C2)O1 C09263 [0,2,0,0,0,0|1,1,0]=4 98 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(N)=C2 C01386 [0,2,0,0,0,0|1,1,0]=4 99 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(O)=C2 C03081 [0,2,0,0,0,0|1,1,0]=4 100 B14R2.28472 CC1=CC2=C(N=C1O)C(O)=CC=C2 C06344 [0,2,0,0,0,0|1,1,0]=4 101 B14R2.28480 CC1=CC2=CC=CC(O)=C2C(C)=N1 C12346 [0,2,0,0,0,0|2,0,0]=4 102 B14R2.28480 CC1=CC2=CC=CC(O)=C2C(O)=C1 C12344 [0,2,0,0,0,0|1,0,0]=3 103 B14R2.28480 O=C1C=COC2=C1C(O)=CC(O)=C2 C09001 [0,2,0,0,0,0|1,1,0]=4 104 B14R2.28480 OC1=CC2=C(C(O)=CC=C2)C(O)=C1 C01173 [0,2,0,0,0,0|0,1,0]=3 105 B10R1.15 C=C(C=O)C1=CC=CC=C1 C16592 [0,0,1,0,1,0|2,0,0]=4 106 B10R2.7 C1=CC2=C(C=C1)NC=C2 C00463 [1,0,0,0,1,0|1,0,0]=3 107 B10R2.7 C1=CC=C2NC=NC2=C1 C02009 [1,0,0,0,1,0|2,0,0]=4 108 B10R2.7 C1=CC=C2OC=CC2=C1 C14512 [1,0,0,0,1,0|1,0,0]=3