0 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 BB55-7351 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 BB57-7194 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.57 O=CC1=CC2=CC=CC=C2OC1 BB01-5679 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 BB57-0554 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.57 O=CC1=NC2=C(C=CC=C2)C=C1 BB01-5977 [0,0,0,0,0,0|3,0,0]=3 5 B12R2.24 BrC1=CN=C2C=CC=CC2=C1 BB01-7804 [1,0,0,0,0,0|2,0,0]=3 6 B12R2.24 ClC1=CC2=CN=CC=C2C=C1 BB32-1617 [1,0,0,0,0,0|2,0,0]=3 7 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 BB57-6789 [1,0,0,0,0,0|2,0,0]=3 8 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 BB01-7793 [1,0,0,0,0,0|1,0,1]=3 9 B12R2.24 OC1=CC2=C(C=CC=N2)C=C1 BB57-3407 [1,0,0,0,0,0|1,0,0]=2 10 B12R2.24 OC1=CC=C2C=CC=CC2=N1 BB17-2144 [1,0,0,0,0,0|1,0,0]=2 11 B14R2.92 O=CC1=COC2=C(C=CC=C2)C1=O BB01-7786 [0,1,0,0,0,0|3,0,0]=4 12 B14R2.134 COC1=CC2=C(C=C1)N=CC(O)=C2 BB58-1195 [0,1,0,0,0,0|1,0,0]=2 13 B14R2.134 COC1=CC=C2C=CC(O)=CC2=C1 BB57-6852 [0,1,0,0,0,0|0,0,0]=1 14 B14R2.142 N#CC1=NC2=C(O)C=CC=C2C=C1 BB58-1227 [0,1,0,0,0,0|3,0,0]=4 15 B14R2.142 O=CC1=NC2=C(C=CC=C2O)C=C1 BB57-3393 [0,1,0,0,0,0|3,0,0]=4 16 B14R2.781 CC(O)C1=CC=C2N=CC=CC2=C1 BB57-2159 [0,1,0,0,0,0|2,0,0]=3 17 B14R2.781 O=C(O)C1=CC=C2N=CC=CC2=C1 BB01-8345 [0,1,0,0,0,0|3,0,0]=4 18 B14R2.781 O=C(O)C1=NC2=C(C=CC=C2)C=C1 BB01-6134 [0,1,0,0,0,0|3,0,0]=4 19 B14R2.1128 O=CC1=C(Cl)N=C2C=CC=CC2=C1 BB01-5681 [0,1,0,0,0,0|3,0,0]=4 20 B14R2.1128 O=CC1=CC2=CC=CC=C2N=C1O BB17-2379 [0,1,0,0,0,0|3,0,0]=4 21 B14R2.1801 COC1=CC2=C(C=C1)C(O)=CC=N2 BB57-3399 [0,1,0,0,0,0|1,0,0]=2 22 B14R2.2332 COC1=CC=C2N=C(C)C=CC2=C1 BB01-4977 [0,1,0,0,0,0|1,0,0]=2 23 B14R2.2332 N#CC1=CC=C2C=C(O)C=CC2=C1 BB58-0320 [0,1,0,0,0,0|2,0,0]=3 24 B12R1.78 COC1=CC(OC)=C(C=O)C=C1 BB01-6047 [0,0,1,0,0,0|2,0,1]=4 25 B12R2.1 N#CC1=CNC2=CC=CC=C12 BB01-0917 [0,0,0,0,1,0|3,0,0]=4 26 B12R2.32 CCC1=NC2=C(C=CC=C2)S1 BB01-8168 [0,0,0,0,1,0|3,0,0]=4 27 B12R2.32 N#CC1=CC2=CC=CC=C2O1 BB58-4707 [0,0,0,0,1,0|3,0,0]=4 28 B12R2.32 O=CC1=CC2=CC=CC=C2S1 BB58-0480 [0,0,0,0,1,0|3,0,0]=4 29 B12R2.44 COC1=CC2=C(C=C1)NC=C2 BB01-4579 [0,0,0,0,1,0|1,0,0]=2 30 B12R2.44 COC1=CC2=C(C=C1)OCO2 BB57-6156 [0,0,0,0,1,0|2,0,1]=4 31 B12R2.44 COC1=CC2=C(C=CN2)C=C1 BB01-6798 [0,0,0,0,1,0|1,0,0]=2 32 B12R2.44 N#CC1=CC=C2NC=CC2=C1 BB57-4235 [0,0,0,0,1,0|3,0,0]=4 33 B12R2.44 O=CC1=CC=C2C=CNC2=C1 BB01-0975 [0,0,0,0,1,0|3,0,0]=4 34 B12R2.44 O=CC1=CC=C2NC=CC2=C1 BB01-0974 [0,0,0,0,1,0|3,0,0]=4 35 B11R1.91 C=C(C)COC1=CC=CC=C1 BB58-4833 [1,0,1,0,0,0|1,0,1]=4 36 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 BB01-3764 [1,0,1,0,0,0|2,0,0]=4 37 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 BB55-7473 [1,0,1,0,0,0|2,0,0]=4 38 B11R1.1 O=C\C=C\C1=CC=C(Br)C=C1 BB17-2312 [1,0,1,0,0,0|2,0,0]=4 39 B11R1.279 COC1=CC(O)=C(C=O)C=C1 BB17-2320 [1,0,1,0,0,0|2,0,0]=4 40 B11R1.280 COC1=CC(C=O)=C(O)C=C1 BB17-2245 [1,0,1,0,0,0|2,0,0]=4 41 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 BB01-5922 [1,0,1,0,0,0|1,0,0]=3 42 B13R1.14 COC(=O)\C=C/C1=CC=C(O)C=C1 BB57-5750 [0,1,1,0,0,0|1,0,0]=3 43 B13R1.14 COC(=O)\C=C\C1=CC=C(F)C=C1 BB58-2525 [0,1,1,0,0,0|1,0,0]=3 44 B13R1.15 COC(=O)\C=C\C1=CC(N)=CC=C1 BB58-5444 [0,1,1,0,0,0|1,0,0]=3 45 B13R1.3 CCC1=CC=C(\C=C\C(=O)O)C=C1 BB01-2920 [0,1,1,0,0,0|2,0,0]=4 46 B13R1.3 COC1=CC=C(\C=C\C(=O)Cl)C=C1 BB55-6091 [0,1,1,0,0,0|1,0,0]=3 47 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 BB01-2913 [0,1,1,0,0,0|1,0,0]=3 48 B13R1.3 CSC1=CC=C(\C=C\C(=O)O)C=C1 BB01-7979 [0,1,1,0,0,0|1,1,0]=4 49 B13R1.5 C=CC(=O)NC1=CC=C(CC)C=C1 BB20-1289 [0,1,1,0,0,0|2,0,0]=4 50 B13R2.32 CC1=C(C)C2=CC=CC=C2C=C1 BB17-0559 [1,1,0,0,0,0|0,0,0]=2 51 B13R2.32 CC1=[N+](C)C2=CC=CC=C2C=C1 BB58-0123 [1,1,0,0,0,0|1,0,0]=3 52 B13R2.32 CN1C(=O)C=CC2=CC=CC=C21 BB58-5185 [1,1,0,0,0,0|1,0,1]=4 53 B13R2.32 CN1C(=S)C=CC2=CC=CC=C21 BB01-2473 [1,1,0,0,0,0|1,1,0]=4 54 B13R2.155 NC1=CC=C2C=CC(O)=CC2=C1 BB57-0154 [1,1,0,0,0,0|0,0,0]=2 55 B13R2.155 O=C1C=CC2=C(C=C(Cl)C=C2)N1 BB32-0891 [1,1,0,0,0,0|1,0,1]=4 56 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)O1 BB01-6013 [1,1,0,0,0,0|1,0,0]=3 57 B13R2.162 O=C1C=CC2=C(N1)C(O)=CC=C2 BB57-3401 [1,1,0,0,0,0|1,0,1]=4 58 B13R2.162 OC1=CC=CC2=C1N=C(Cl)C=C2 BB57-3392 [1,1,0,0,0,0|2,0,0]=4 59 B13R2.328 CC1=CC(Cl)=NC2=CC=CC=C12 BB58-4563 [1,1,0,0,0,0|2,0,0]=4 60 B13R2.328 CC1=NC2=C(C=CC=C2)C(N)=C1 BB01-8370 [1,1,0,0,0,0|1,0,0]=3 61 B13R2.328 CC1=NC2=CC=CC=C2C(O)=C1 BB01-2812 [1,1,0,0,0,0|1,0,0]=3 62 B13R2.328 ClC1=CC2=C(C=CC=C2)C(Cl)=N1 BB01-5981 [1,1,0,0,0,0|2,0,0]=4 63 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)N1 BB01-0958 [1,1,0,0,0,0|1,0,1]=4 64 B13R2.328 O=C1C=C(O)C2=CC=CC=C2O1 BB01-7795 [1,1,0,0,0,0|1,0,1]=4 65 B13R2.369 CC1=NC2=CC=CC=C2N=C1Cl BB57-5138 [1,1,0,0,0,0|2,0,0]=4 66 B13R2.369 CC1=NC2=CC=CC=C2NC1=O BB01-2991 [1,1,0,0,0,0|2,0,0]=4 67 B13R2.369 FC1=CC2=CN=CC=C2C=C1Br BB31-1311 [1,1,0,0,0,0|2,0,0]=4 68 B13R2.369 OC1=NC2=CC=CC=C2N=C1O BB01-5089 [1,1,0,0,0,0|2,0,0]=4 69 B13R2.3683 CC1=CC2=CC=C(C)N=C2C=C1 BB17-2145 [1,1,0,0,0,0|1,0,0]=3 70 B13R2.3683 CC1=CC=C2C=C(C)C=CC2=C1 BB17-0560 [1,1,0,0,0,0|0,0,0]=2 71 B13R2.3683 OC1=CC=C2C=C(O)C=CC2=C1 BB57-6846 [1,1,0,0,0,0|0,0,0]=2 72 B13R2.5179 CC1=CC=C2C(C)=CC=CC2=C1 BB55-7384 [1,1,0,0,0,0|0,0,0]=2 73 B13R2.5179 SC1=CC=NC2=CC(Cl)=CC=C12 BB57-5115 [1,1,0,0,0,0|2,0,0]=4 74 B13R2.1 NCCC1=CNC2=CC=CC=C12 BB57-2086 [0,1,0,0,1,0|2,0,0]=4 75 B13R2.26 COCC1=NC2=CC=CC=C2N1 BB58-1848 [0,1,0,0,1,0|2,0,0]=4 76 B13R2.599 COC1=C(Cl)C=C2C=CNC2=C1 BB31-7385 [0,1,0,0,1,0|1,0,0]=3 77 B13R2.2121 COC1=CC2=C(C=C1)N=C(N)S2 BB01-5948 [0,1,0,0,1,0|2,0,0]=4 78 B13R2.2121 COC1=CC2=C(C=C1)NC(C)=C2 BB01-6538 [0,1,0,0,1,0|1,0,0]=3 79 B15R2.2115 COC1=C(C=O)C2=C(C=CC=C2)C=C1 BB57-6659 [0,2,0,0,0,0|0,0,0]=2 80 B15R2.1601 COC(=O)C1=CC2=C(C=C1)N=CC=C2 BB01-7963 [0,2,0,0,0,0|1,0,0]=3 81 B15R2.1601 COC(=O)C1=NC2=CC=CC=C2C=C1 BB57-5953 [0,2,0,0,0,0|1,0,0]=3 82 B15R2.1601 NNC(=O)C1=CC=C2C=CC=CC2=C1 BB55-0725 [0,2,0,0,0,0|2,0,0]=4 83 B15R2.1668 O=C(O)CC1=CC2=CC=CC=C2C=C1 BB57-0248 [0,2,0,0,0,0|1,0,1]=4 84 B15R2.89396 COC1=CC=C2C(C)=CC(=O)OC2=C1 BB57-4478 [0,2,0,0,0,0|1,0,0]=3 85 B15R2.21329 CCC1=CC=C2N=C(Cl)C=C(C)C2=C1 BB57-6422 [0,2,0,0,0,0|2,0,0]=4 86 B15R2.21329 CCC1=CC=C2NC(=O)C=C(C)C2=C1 BB57-7049 [0,2,0,0,0,0|2,0,0]=4 87 B15R2.61353 CN(C)C1=NC2=C(O)C=CC=C2C=C1 BB58-1181 [0,2,0,0,0,0|2,0,0]=4 88 B15R2.984 CC(=O)C1=CC2=CC=CC=C2OC1=O BB17-2381 [0,2,0,0,0,0|2,0,0]=4 89 B15R2.7180 O=C(O)C1=CC=C2C=C(O)C=CC2=C1 BB58-1686 [0,2,0,0,0,0|2,0,0]=4 90 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 BB01-1053 [0,0,1,1,0,0|2,0,0]=4 91 B11R1.222 COC(=O)C1=C(Cl)C=CC=C1 BB17-2141 [0,0,1,0,1,0|2,0,0]=4 92 B11R1.222 COC(=O)C1=C(F)C=CC=C1 BB01-6088 [0,0,1,0,1,0|2,0,0]=4 93 B11R2.1 CC1=CNC2=CC=CC=C12 BB01-6044 [1,0,0,0,1,0|1,0,0]=3 94 B11R2.1 CC1=NNC2=CC=CC=C21 BB57-2499 [1,0,0,0,1,0|2,0,0]=4 95 B11R2.10 CC1=NC2=C(C=CC=C2)S1 BB01-7803 [1,0,0,0,1,0|2,0,0]=4 96 B11R2.36 BrC1=CC2=C(C=C1)NC=C2 BB01-6196 [1,0,0,0,1,0|2,0,0]=4 97 B11R2.36 CC1=CC=C2NC=CC2=C1 BB01-8311 [1,0,0,0,1,0|1,0,0]=3 98 B11R2.36 ClC1=CC2=C(C=C1)NC=C2 BB01-1062 [1,0,0,0,1,0|2,0,0]=4 99 B11R2.36 ClC1=CC2=C(C=CN2)C=C1 BB01-0989 [1,0,0,0,1,0|2,0,0]=4