0 B14R2.781 CC(=O)C1=CC2=C(C=C1)CCCC2 BB17-2211 [0,0,0,0,0,0|0,0,4]=4 1 B14R2.781 CC(O)C1=CC=C2N=CC=CC2=C1 BB57-2159 [0,0,0,0,0,0|1,0,2]=3 2 B14R2.781 O=C(O)C1=CC=C2N=CC=CC2=C1 BB01-8345 [0,0,0,0,0,0|2,0,0]=2 3 B14R2.781 O=C(O)C1=NC2=C(C=CC=C2)C=C1 BB01-6134 [0,0,0,0,0,0|2,0,0]=2 4 B14R2.781 O=C(O)C1=NC2=C(C=CC=C2)N=C1 BB57-5156 [0,0,0,0,0,0|3,0,0]=3 5 B14R2.781 O=C(O)C1=NC2=NC=CC=C2C=C1 BB58-3843 [0,0,0,0,0,0|3,0,0]=3 6 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 BB55-7351 [1,0,0,0,0,0|2,0,0]=3 7 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 BB57-7194 [1,0,0,0,0,0|1,0,0]=2 8 B13R2.57 O=CC1=CC2=CC=CC=C2OC1 BB01-5679 [1,0,0,0,0,0|1,0,1]=3 9 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 BB57-0554 [1,0,0,0,0,0|1,0,0]=2 10 B13R2.57 O=CC1=NC2=C(C=CC=C2)C=C1 BB01-5977 [1,0,0,0,0,0|1,0,0]=2 11 B15R2.984 CC(=O)C1=CC2=CC=CC=C2OC1=O BB17-2381 [0,1,0,0,0,0|1,0,0]=2 12 B15R2.1601 COC(=O)C1=CC2=C(C=C1)N=CC=C2 BB01-7963 [0,1,0,0,0,0|1,0,0]=2 13 B15R2.1601 COC(=O)C1=NC2=CC=CC=C2C=C1 BB57-5953 [0,1,0,0,0,0|1,0,0]=2 14 B15R2.1601 NNC(=O)C1=CC=C2C=CC=CC2=C1 BB55-0725 [0,1,0,0,0,0|1,0,0]=2 15 B15R2.1601 NNC(=O)C1=CC=C2N=CC=CC2=C1 BB01-5063 [0,1,0,0,0,0|2,0,0]=3 16 B15R2.1601 NNC(=O)C1=NC2=C(C=CC=C2)C=C1 BB58-2157 [0,1,0,0,0,0|2,0,0]=3 17 B15R2.7180 O=C(O)C1=CC=C2C=C(O)C=CC2=C1 BB58-1686 [0,1,0,0,0,0|1,0,0]=2 18 B15R2.14951 O=C(O)C1=CC(=O)C2=C(C=CC=C2)O1 BB01-8278 [0,1,0,0,0,0|2,0,0]=3 19 B15R2.14951 O=C(O)C1=NC2=CC=CC=C2C(O)=C1 BB55-7480 [0,1,0,0,0,0|2,0,0]=3 20 B15R2.61353 CN(C)C1=NC2=C(O)C=CC=C2C=C1 BB58-1181 [0,1,0,0,0,0|3,0,0]=4 21 B13R1.74 C=CCOC1=CC=C(C(C)=O)C=C1 BB55-2307 [0,0,1,0,0,0|1,0,1]=3 22 B13R1.74 O=C\C=C\C1=CC=C([N+](=O)[O-])C=C1 BB17-1754 [0,0,1,0,0,0|3,0,0]=4 23 B13R1.90 COC1=CC=CC=C1\C=C\C(=O)Cl BB55-6101 [0,0,1,0,0,0|2,0,1]=4 24 B13R1.90 COC1=CC=CC=C1\C=C\C(=O)O BB01-2918 [0,0,1,0,0,0|2,0,1]=4 25 B13R1.568 C=CCOC1=CC(C(C)=O)=CC=C1 BB55-2308 [0,0,1,0,0,0|1,0,1]=3 26 B13R2.72 CC(=O)N1CCC2=CC=CC=C21 BB01-3057 [0,0,0,0,1,0|1,0,2]=4 27 B13R2.72 O=C(O)C1=CNC2=CC=CC=C21 BB01-6108 [0,0,0,0,1,0|2,0,0]=3 28 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 BB55-0123 [0,0,0,0,1,0|2,0,0]=3 29 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 BB01-5800 [0,0,0,0,1,0|3,0,0]=4 30 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CS2 BB55-8507 [0,0,0,0,1,0|3,0,0]=4 31 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=N2 BB01-0986 [0,0,0,0,1,0|3,0,0]=4 32 B13R2.430 O=C(O)C1=CC=C2C=CNC2=C1 BB01-0941 [0,0,0,0,1,0|2,0,0]=3 33 B13R2.430 O=C(O)C1=CC=C2NC=CC2=C1 BB01-0995 [0,0,0,0,1,0|2,0,0]=3 34 B13R2.430 O=C(O)C1=CN2C=CN=C2C=C1 BB58-1076 [0,0,0,0,1,0|3,0,0]=4 35 B13R2.435 CC(=O)C1=NC2=CC=CC=C2N1 BB01-3362 [0,0,0,0,1,0|2,0,0]=3 36 B13R2.435 CC(=O)C1=NC2=CC=CC=C2S1 BB55-8425 [0,0,0,0,1,0|2,0,0]=3 37 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 BB01-4568 [0,0,0,0,1,0|2,0,0]=3 38 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 BB57-1578 [0,0,0,0,1,0|2,0,0]=3 39 B15R2.1668 O=C(O)CC1=CC2=CC=CC=C2C=C1 BB57-0248 [0,0,0,0,0,1|1,0,0]=2 40 B12R1.71 C=CCOC1=CC=C(C=O)C=C1 BB55-0799 [1,0,1,0,0,0|1,0,1]=4 41 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)Cl BB55-6108 [1,0,1,0,0,0|1,0,1]=4 42 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1Br BB55-6106 [1,0,1,0,0,0|2,0,0]=4 43 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1Cl BB55-6085 [1,0,1,0,0,0|2,0,0]=4 44 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1F BB55-6103 [1,0,1,0,0,0|2,0,0]=4 45 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 BB01-2229 [1,0,1,0,0,0|2,0,0]=4 46 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br BB55-6081 [1,0,1,0,0,0|2,0,0]=4 47 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl BB01-2911 [1,0,1,0,0,0|2,0,0]=4 48 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O BB57-6763 [1,0,1,0,0,0|2,0,0]=4 49 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 BB01-6174 [1,0,1,0,0,0|1,0,1]=4 50 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O BB57-6615 [1,0,1,0,0,0|1,0,1]=4 51 B12R1.43 O=C(O)\C(Cl)=C\C1=CC=CC=C1 BB57-2332 [1,0,1,0,0,0|2,0,0]=4 52 B12R1.382 C=CCOC1=CC(C=O)=CC=C1 BB57-7191 [1,0,1,0,0,0|1,0,1]=4 53 B12R2.24 BrC1=CN=C2C=CC=CC2=C1 BB01-7804 [2,0,0,0,0,0|2,0,0]=4 54 B12R2.24 ClC1=CC2=CN=CC=C2C=C1 BB32-1617 [2,0,0,0,0,0|2,0,0]=4 55 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 BB57-6789 [2,0,0,0,0,0|2,0,0]=4 56 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 BB01-7793 [2,0,0,0,0,0|1,0,0]=3 57 B12R2.24 OC1=CC2=C(C=CC=N2)C=C1 BB57-3407 [2,0,0,0,0,0|1,0,1]=4 58 B12R2.24 OC1=CC=C2C=CC=CC2=N1 BB17-2144 [2,0,0,0,0,0|1,0,1]=4 59 B14R1.863 COC(=O)\C=C\C1=C(OC)C=CC=C1 BB58-5126 [0,1,1,0,0,0|1,0,1]=4 60 B14R1.436 C=CCC1=C(O)C=CC(C(=O)OC)=C1 BB58-4944 [0,1,1,0,0,0|1,0,1]=4 61 B14R2.92 O=CC1=COC2=C(C=CC=C2)C1=O BB01-7786 [1,1,0,0,0,0|1,0,0]=3 62 B14R2.134 COC1=CC2=C(C=C1)N=CC(O)=C2 BB58-1195 [1,1,0,0,0,0|2,0,0]=4 63 B14R2.134 COC1=CC=C2C=CC(O)=CC2=C1 BB57-6852 [1,1,0,0,0,0|1,0,0]=3 64 B14R2.142 O=CC1=NC2=C(C=CC=C2O)C=C1 BB57-3393 [1,1,0,0,0,0|1,0,0]=3 65 B14R2.1128 O=CC1=C(Cl)N=C2C=CC=CC2=C1 BB01-5681 [1,1,0,0,0,0|1,0,0]=3 66 B14R2.1128 O=CC1=CC2=CC=CC=C2N=C1O BB17-2379 [1,1,0,0,0,0|1,0,0]=3 67 B14R2.1801 COC1=CC2=C(C=C1)C(O)=CC=N2 BB57-3399 [1,1,0,0,0,0|2,0,0]=4 68 B14R2.2332 COC1=CC=C2N=C(C)C=CC2=C1 BB01-4977 [1,1,0,0,0,0|2,0,0]=4 69 B14R2.2332 N#CC1=CC=C2C=C(O)C=CC2=C1 BB58-0320 [1,1,0,0,0,0|1,0,1]=4 70 B14R2.95 COC(=O)C1=C2C=CC=CN2N=C1 BB32-3027 [0,1,0,0,1,0|2,0,0]=4 71 B14R2.95 NNC(=O)C1=CNC2=C1C=CC=C2 BB55-1931 [0,1,0,0,1,0|2,0,0]=4 72 B14R2.95 NNC(=O)C1=CSC2=C1C=CC=C2 BB55-1925 [0,1,0,0,1,0|2,0,0]=4 73 B14R2.95 O=C(CCl)C1=CNC2=C1C=CC=C2 BB01-4555 [0,1,0,0,1,0|1,0,0]=3 74 B14R2.642 CC(=O)N1C(=O)CC2=CC=CC=C21 BB20-1433 [0,1,0,0,1,0|1,0,1]=4 75 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=C2 BB01-0965 [0,1,0,0,1,0|1,0,0]=3 76 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 BB55-0070 [0,1,0,0,1,0|2,0,0]=4 77 B14R2.450 CN1C(C(=O)O)=CC2=CC=CC=C21 BB01-2131 [0,1,0,0,1,0|2,0,0]=4 78 B14R2.450 NC(=O)C1=CC2=CC=CC=C2N1C BB01-3059 [0,1,0,0,1,0|2,0,0]=4 79 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)S1 BB55-0050 [0,1,0,0,1,0|2,0,0]=4 80 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 BB01-0992 [0,1,0,0,1,0|1,0,0]=3 81 B14R2.972 COC(=O)C1=CC2=CC=CC=C2S1 BB57-5413 [0,1,0,0,1,0|1,0,0]=3 82 B14R2.972 COC(=O)C1=NC2=CC=CC=C2N1 BB20-1023 [0,1,0,0,1,0|2,0,0]=4 83 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 BB01-6370 [0,1,0,0,1,0|2,0,0]=4 84 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)S1 BB58-1541 [0,1,0,0,1,0|2,0,0]=4 85 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2N1 BB01-0934 [0,1,0,0,1,0|2,0,0]=4 86 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)S1 BB58-1550 [0,1,0,0,1,0|2,0,0]=4 87 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Cl)=CC=C2 BB58-1546 [0,1,0,0,1,0|2,0,0]=4 88 B16R2.5347 O=C(CCl)NC1=CC=C2C=CC=CC2=C1 BB57-2886 [0,1,0,0,0,1|0,0,0]=2 89 B16R2.83538 CC(=O)NC1=C(Br)C2=CC=CC=C2C=C1 BB55-7256 [0,1,0,0,0,1|0,0,0]=2 90 B16R2.126902 CC(=O)NC1=NC2=C(O)C=CC=C2C=C1 BB58-1185 [0,1,0,0,0,1|1,0,0]=3 91 B16R2.1229 NNC(=O)C1=C(O)C2=C(C=CC=C2)C=C1 BB55-1929 [0,2,0,0,0,0|1,0,0]=3 92 B16R2.6148 COC1=C(C(=O)O)C=CC2=CC=CC=C21 BB57-6461 [0,2,0,0,0,0|1,0,0]=3 93 B16R2.12044 O=C(O)C1=CNC2=CC=C(Cl)C=C2C1=O BB58-3997 [0,2,0,0,0,0|2,0,0]=4 94 B16R2.22861 O=C(O)C1=C(O)C2=CC=CC(Cl)=C2N=C1 BB26-0753 [0,2,0,0,0,0|2,0,0]=4 95 B16R2.22861 O=C(O)C1=C(O)C2=CC=CC(F)=C2N=C1 BB26-0776 [0,2,0,0,0,0|2,0,0]=4 96 B16R2.22861 O=C(O)C1=CNC2=C(Cl)C=CC=C2C1=O BB58-4039 [0,2,0,0,0,0|2,0,0]=4 97 B16R2.23372 CC(=O)C1=C(O)C2=CC=CC=C2OC1=O BB53-1745 [0,2,0,0,0,0|1,0,0]=3 98 B16R2.23372 CC1=C(C(=O)O)C(=O)OC2=CC=CC=C21 BB58-4967 [0,2,0,0,0,0|2,0,0]=4 99 B16R2.133456 O=C(O)C1=CNC2=CC(Cl)=CC=C2C1=O BB58-3998 [0,2,0,0,0,0|2,0,0]=4 100 B16R2.1612 COC1=CC2=CC=CC=C2C=C1C(=O)O BB57-6158 [0,2,0,0,0,0|1,0,0]=3 101 B16R2.23521 CC(=O)C1=CC2=C(C=CC(Br)=C2)OC1=O BB01-0011 [0,2,0,0,0,0|1,0,0]=3 102 B16R2.23521 CC1=CC=C2N=C(C)C(C(=O)O)=CC2=C1 BB55-8428 [0,2,0,0,0,0|2,0,0]=4 103 B16R2.23521 O=C(O)C1=CC2=C(C=CC(Br)=C2)OC1=O BB01-0012 [0,2,0,0,0,0|2,0,0]=4 104 B16R2.23521 O=C(O)C1=CC2=C(C=CC(Cl)=C2)OC1=O BB55-0098 [0,2,0,0,0,0|2,0,0]=4 105 B16R2.33941 COC(=O)C1=CC2=CC=CC=C2C=C1O BB57-4662 [0,2,0,0,0,0|0,0,0]=2 106 B16R2.33941 O=C(CBr)C1=CC2=CC=CC=C2OC1=O BB53-1754 [0,2,0,0,0,0|1,0,0]=3 107 B14R2.31359 CC(=O)C1=NC=CC2=CC=CC=C21 BB32-3053 [0,0,1,1,0,0|1,0,0]=3 108 B14R2.31359 CC(N)C1=CC=CC2=C1C=CC=C2 BB55-1647 [0,0,1,1,0,0|1,0,1]=4 109 B14R2.31359 O=C(O)C1=C2C=CC=CC2=CC=N1 BB01-6135 [0,0,1,1,0,0|2,0,0]=4 110 B14R2.31359 O=C(O)C1=C2N=CC=CC2=CC=C1 BB55-6178 [0,0,1,1,0,0|2,0,0]=4 111 B12R2.32 O=CC1=CC2=CC=CC=C2S1 BB58-0480 [1,0,0,0,1,0|1,0,0]=3 112 B12R2.32 O=CC1=NC2=CC=CC=C2S1 BB55-8341 [1,0,0,0,1,0|2,0,0]=4 113 B12R2.44 COC1=CC2=C(C=C1)NC=C2 BB01-4579 [1,0,0,0,1,0|2,0,0]=4 114 B12R2.44 COC1=CC2=C(C=CN2)C=C1 BB01-6798 [1,0,0,0,1,0|2,0,0]=4 115 B12R2.44 O=CC1=CC=C2C=CNC2=C1 BB01-0975 [1,0,0,0,1,0|1,0,0]=3 116 B12R2.44 O=CC1=CC=C2NC=CC2=C1 BB01-0974 [1,0,0,0,1,0|1,0,0]=3