0 B12R2.32 CSC1=NC2=C(C=CC=C2)S1 C10910 [0,0,0,0,0,0|3,1,0]=4 1 B12R2.32 ON=C1CC2=C(C=CC=C2)C1 C14639 [0,0,0,0,0,0|2,0,2]=4 2 B11R2.10 NC1=NC2=C(C=CC=C2)N1 C10901 [1,0,0,0,0,0|3,0,0]=4 3 B11R2.10 O=C1CC2=C(C=CC=C2)N1 C12312 [1,0,0,0,0,0|1,0,1]=3 4 B11R2.10 O=C1CC2=CC=CC=C2C1 C07727 [1,0,0,0,0,0|1,0,1]=3 5 B11R2.10 SC1=NC2=C(C=CC=C2)S1 C14437 [1,0,0,0,0,0|1,2,0]=4 6 B13R2.26 NCCC1=CC2=CC=CC=C2N1 C02548 [0,1,0,0,0,0|2,0,1]=4 7 B13R2.45 O=CC1CC2=CC=CC=C2C1=O C07719 [0,1,0,0,0,0|1,0,1]=3 8 B13R2.57 C(=O)C1=CC=C2C=CC=CC2=C1 C14099 [0,0,0,0,0,1|1,0,0]=2 9 B13R2.57 OCC1=CC=C2C=CC=CC2=C1 C02909 [0,0,0,0,0,1|1,0,2]=4 10 B10R1.17 O=CNCC1=CC=CC=C1 C15561 [1,0,1,0,0,0|1,0,1]=4 11 B10R1.17 O=COCC1=CC=CC=C1 C05613 [1,0,1,0,0,0|1,0,1]=4 12 B10R1.17 O=C\C=C\C1=CC=CC=C1 C00903 [1,0,1,0,0,0|0,0,0]=2 13 B10R1.17 OC\C=C\C1=CC=CC=C1 C02394 [1,0,1,0,0,0|0,0,2]=4 14 B10R1.18 CC(=O)CC1=CC=CC=C1 C15512 [1,0,1,0,0,0|1,0,1]=4 15 B10R1.18 CC(=O)NC1=CC=CC=C1 C07565 [1,0,1,0,0,0|1,0,1]=4 16 B10R1.18 CC(=O)OC1=CC=CC=C1 C00548 [1,0,1,0,0,0|0,0,1]=3 17 B10R1.18 CC(=O)OC1=CC=CC=C1 C15583 [1,0,1,0,0,0|0,0,1]=3 18 B10R1.18 NC(=O)CC1=CC=CC=C1 C02505 [1,0,1,0,0,0|1,0,1]=4 19 B10R1.18 O=C(O)CC1=CC=CC=C1 C07086 [1,0,1,0,0,0|0,0,1]=3 20 B10R1.18 [*]C(=O)NC1=CC=CC=C1 C00484 [1,0,1,0,0,0|2,0,0]=4 21 B10R1.18 [*]C(=O)NC1=CC=CC=C1 C01402 [1,0,1,0,0,0|2,0,0]=4 22 B10R2.7 C1=CC2=C(C=C1)NC=C2 C00463 [2,0,0,0,0,0|1,0,0]=3 23 B10R2.7 C1=CC=C2NC=NC2=C1 C02009 [2,0,0,0,0,0|2,0,0]=4 24 B10R2.7 C1=CC=C2OC=CC2=C1 C14512 [2,0,0,0,0,0|0,0,0]=2 25 B12R1.125 O=C(O)CCC1=CC=CC=C1O C01198 [0,1,1,0,0,0|0,0,2]=4 26 B12R1.125 O=C(O)\C=C/C1=CC=CC=C1O C05838 [0,1,1,0,0,0|0,0,0]=2 27 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O C01772 [0,1,1,0,0,0|0,0,0]=2 28 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 C00166 [0,1,1,0,0,0|0,0,2]=4 29 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 C05607 [0,1,1,0,0,0|0,0,2]=4 30 B12R1.43 O=C(O)\C(O)=C\C1=CC=CC=C1 C02763 [0,1,1,0,0,0|0,0,0]=2 31 B12R2.18 C=C1C(=O)NC2=CC=CC=C12 C02796 [1,1,0,0,0,0|1,0,0]=3 32 B12R2.18 CC1C(=O)NC2=CC=CC=C21 C02366 [1,1,0,0,0,0|1,0,1]=4 33 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O C11129 [1,1,0,0,0,0|1,0,0]=3 34 B12R2.18 O=C1NC2=C(C=CC=C2)C1O C11130 [1,1,0,0,0,0|1,0,1]=4 35 B12R2.18 OC1=C(O)C2=CC=CC=C2N1 C02775 [1,1,0,0,0,0|1,0,1]=4 36 B12R2.606 NC1=NC2=CC(Cl)=CC=C2O1 C13841 [1,1,0,0,0,0|2,0,0]=4 37 B12R2.606 OC1=NC2=C(C=CC(Cl)=C2)O1 C07931 [1,1,0,0,0,0|1,0,1]=4 38 B14R2.92 O=CC1=C(O)C2=C(C=CC=C2)C=C1 C11427 [0,1,0,0,0,1|1,0,0]=3 39 B14R2.781 O=C(O)C1=CC=C2C=CC=CC2=C1 C14101 [0,1,0,0,0,1|1,0,0]=3 40 B14R2.781 O=C(O)C1=NC2=C(C=CC=C2)C=C1 C06325 [0,1,0,0,0,1|1,0,0]=3 41 B14R2.781 O=C(O)C1=NC2=C(C=CC=C2)N=C1 C18624 [0,1,0,0,0,1|1,0,0]=3 42 B14R2.781 O=[N+]([O-])C1=CC=C2C=CC=CC2=C1 C19474 [0,1,0,0,0,1|2,0,0]=4 43 B10R0.91 CC(\C=C\C=O)=C/C=C/C=O C20697 [0,0,2,0,0,0|2,0,0]=4 44 B12R2.24 CC1=CC=C2C=CC=CC2=C1 C14098 [0,0,1,1,0,0|2,0,0]=4 45 B12R2.24 NC1=CC=C2C=CC=CC2=C1 C02227 [0,0,1,1,0,0|2,0,0]=4 46 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 C06415 [0,0,1,1,0,0|1,0,0]=3 47 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 C05851 [0,0,1,1,0,0|0,0,0]=2 48 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 C02274 [0,0,1,1,0,0|0,0,2]=4 49 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 C11713 [0,0,1,1,0,0|1,0,1]=4 50 B12R2.24 OC1=NC2=C(C=CC=C2)C=C1 C06338 [0,0,1,1,0,0|1,0,1]=4 51 B12R2.1081 CC1=C2C=CC=CC2=CC=C1 C14082 [0,0,1,1,0,0|2,0,0]=4 52 B12R2.1081 NC1=CC=CC2=CC=CC=C12 C14790 [0,0,1,1,0,0|2,0,0]=4 53 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 C18478 [0,0,1,1,0,0|2,0,0]=4 54 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 C19434 [0,0,1,1,0,0|2,0,0]=4 55 B12R2.1081 OC1=CC=CC2=C1C=CC=C2 C11714 [0,0,1,1,0,0|1,0,0]=3 56 B12R2.1081 OC1=CC=NC2=C1C=CC=C2 C06343 [0,0,1,1,0,0|2,0,0]=4 57 B12R2.1 O=CC1=CNC2=C1C=CC=C2 C08493 [0,0,1,1,0,0|2,0,0]=4 58 B10R1.15 C=C(C=O)C1=CC=CC=C1 C16592 [0,0,1,0,1,0|0,0,0]=2 59 B10R1.15 NC(=S=O)C1=CC=CC=C1 C16283 [0,0,1,0,1,0|2,0,0]=4