0 B12R1.43 CN(C)C(=O)OC1=CC=CC=C1 BB32-3884 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O BB31-3006 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.43 O=C(O)[C@H](Br)CC1=CC=CC=C1 BB31-7674 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.91 NC(=O)CNC1=CC=CC=C1 BB32-1447 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.133 CC(CC1=CC=C(F)C=C1)C(=O)O BB32-0888 [0,1,0,0,0,0|1,0,2]=4 5 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 BB31-5428 [0,1,0,0,0,0|1,0,2]=4 6 B13R1.135 COC(=O)C(Br)CC1=CC=CC=C1 BB32-1982 [0,1,0,0,0,0|1,0,2]=4 7 B13R1.135 COC(=O)C(Cl)CC1=CC=CC=C1 BB31-4052 [0,1,0,0,0,0|1,0,2]=4 8 B13R1.148 C\C(=C/C1=CC=CC(Br)=C1)[N+](=O)[O-] BB32-0338 [0,1,0,0,0,0|2,0,0]=3 9 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O BB31-3737 [0,1,0,0,0,0|1,0,2]=4 10 B13R1.418 O=C(O)[C@@H](CO)CC1=CC=CC=C1 BB31-0992 [0,1,0,0,0,0|1,0,2]=4 11 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)Cl BB12-7959 [0,1,0,0,0,0|2,0,1]=4 12 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O BB12-7957 [0,1,0,0,0,0|2,0,1]=4 13 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(N)=O BB12-7958 [0,1,0,0,0,0|2,0,1]=4 14 B13R2.369 CC1=CC2=CC=CC=C2C=C1O BB31-5686 [0,0,0,1,0,0|0,0,2]=3 15 B13R2.369 CC1=NC2=CC=CC=C2C=C1Cl BB31-0296 [0,0,0,1,0,0|2,0,0]=3 16 B13R2.369 NC1=CC2=CC=CC=C2C=C1Br BB32-2439 [0,0,0,1,0,0|2,0,1]=4 17 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1Br BB31-7389 [0,0,0,1,0,0|2,0,0]=3 18 B13R2.369 OC1=NC2=CC=CC=C2C=C1Br BB31-7203 [0,0,0,1,0,0|2,0,1]=4 19 B13R2.435 NC(=O)C1=CC2=C(C=CC=C2)N1 BB32-0448 [0,0,0,1,0,0|2,0,0]=3 20 B13R2.435 NC(=O)C1=CC2=C(N=CC=C2)N1 BB32-1130 [0,0,0,1,0,0|3,0,0]=4 21 B13R2.435 NC(=O)C1=CC2=CC=CC=C2O1 BB52-4124 [0,0,0,1,0,0|2,0,0]=3 22 B13R2.435 NC(=O)C1=CN2C=CC=CC2=N1 BB32-2117 [0,0,0,1,0,0|3,0,0]=4 23 B13R2.435 NC(=O)C1=NC2=C(C=CC=C2)N1 BB31-5523 [0,0,0,1,0,0|3,0,0]=4 24 B13R2.435 NC(=O)C1=NN2C=CC=CC2=C1 BB31-6403 [0,0,0,1,0,0|3,0,0]=4 25 B13R2.435 NC(=S)C1=CC2=C(C=CC=C2)N1 BB32-3186 [0,0,0,1,0,0|2,1,0]=4 26 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)N1 BB32-0944 [0,0,0,1,0,0|3,0,0]=4 27 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)S1 BB31-4928 [0,0,0,1,0,0|3,0,0]=4 28 B13R2.435 O=C(O)C1=CN2C=CC=CC2=C1 BB32-1633 [0,0,0,1,0,0|2,0,1]=4 29 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 BB51-0827 [0,0,0,1,0,0|3,0,0]=4 30 B11R1.36 C=C(C1=CC=CC=C1)C(C)C BB31-3442 [0,0,0,0,1,0|1,0,2]=4 31 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 BB32-1369 [0,0,0,0,1,0|1,0,1]=3 32 B11R1.36 CC(C)C(C)C1=CC=CC=C1 BB31-5345 [0,0,0,0,1,0|1,0,2]=4 33 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 BB32-1690 [0,0,0,0,0,1|1,0,1]=3 34 B13R1.351 CC(CCC1=CC=CC=C1)C(=O)O BB32-0518 [0,0,0,0,0,1|1,0,2]=4 35 B10R1.18 CC(=O)CC1=CN=CC=C1 BB32-2986 [2,0,0,0,0,0|1,0,1]=4 36 B12R1.34 C=C(C(=O)OC)C1=CC=CC=C1 BB32-0740 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.21 O=C(O)\C=C\C1=NC=C(F)C=C1 BB31-7518 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.27 COC(=O)CNC1=CC=CC=C1 BB32-1728 [1,1,0,0,0,0|1,0,1]=4 39 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 BB32-3562 [1,1,0,0,0,0|1,0,0]=3 40 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 BB31-8714 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 BB31-8656 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.20 CC(C(=O)O)C1=CC=C(Br)C=C1 BB32-2376 [0,1,0,0,1,0|1,0,1]=4 43 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 BB32-3174 [0,1,0,0,1,0|1,0,1]=4 44 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 BB32-3698 [0,1,0,0,1,0|2,0,0]=4 45 B12R1.20 O=C(O)C(=O)C1=CC=C(O)C=C1 BB31-2963 [0,1,0,0,1,0|2,0,0]=4 46 B12R1.124 CC(C(=O)O)C1=C(Cl)C=CC=C1 BB31-8139 [0,1,0,0,1,0|1,0,1]=4 47 B12R1.124 NC1=C(C(=O)C(=O)[O-])C=CC=C1 BB31-3615 [0,1,0,0,1,0|2,0,0]=4 48 B12R1.124 O=C(O)C(=O)C1=C(Cl)C=CC=C1 BB31-4381 [0,1,0,0,1,0|2,0,0]=4 49 B12R1.478 CCC(C(N)=O)C1=CC=CC=C1 BB31-4874 [0,1,0,0,1,0|1,0,1]=4 50 B12R1.478 CN[C@H](C(=O)O)C1=CC=CC=C1 BB31-4378 [0,1,0,0,1,0|1,0,1]=4 51 B12R1.478 NC[C@@H](C(=O)O)C1=CC=CC=C1 BB31-2435 [0,1,0,0,1,0|1,0,1]=4 52 B12R1.478 O=C(O)[C@@H](CO)C1=CC=CC=C1 BB32-0839 [0,1,0,0,1,0|1,0,1]=4 53 B12R1.478 O=C(O)[C@H](CO)C1=CC=CC=C1 BB32-0834 [0,1,0,0,1,0|1,0,1]=4 54 B14R1.1031 CN[C@@H](CC1=CC=CC=C1)C(=O)OC BB31-3544 [0,2,0,0,0,0|0,0,2]=4 55 B14R1.1107 COC(=O)C(C)(C)OC1=CC=CC=C1 BB12-7960 [0,2,0,0,0,0|1,0,1]=4 56 B12R2.18 CC1=C(C)C2=C(C=CC=C2)O1 BB32-1322 [1,0,0,1,0,0|1,0,0]=3 57 B12R2.18 CC1=C(C)C2=CC=CN=C2N1 BB31-5615 [1,0,0,1,0,0|2,0,0]=4 58 B12R2.18 O=C1SC2=C(C=CC=C2)C1=O BB31-7685 [1,0,0,1,0,0|2,0,0]=4 59 B12R2.24 FC1=CC2=CC=CC=C2N=C1 BB32-1722 [1,0,0,1,0,0|2,0,0]=4 60 B12R2.24 IC1=CC2=CC=CC=C2N=C1 BB31-6878 [1,0,0,1,0,0|2,0,0]=4 61 B12R2.24 NC1=CC2=CC=CC=C2N=C1 BB52-6146 [1,0,0,1,0,0|2,0,0]=4 62 B12R2.32 O=CC1=CC2=C(C=CN=C2)N1 BB32-2985 [1,0,0,1,0,0|2,0,0]=4 63 B12R2.32 O=CC1=CC2=CC=CN=C2S1 BB32-2422 [1,0,0,1,0,0|2,0,0]=4 64 B12R2.32 O=CC1CC2=C(C=CC=C2)C1 BB32-1577 [1,0,0,1,0,0|0,0,2]=4 65 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 BB32-3180 [1,0,0,1,0,0|1,0,1]=4 66 B14R2.19 O=C1C=C(SC2=CC=CC=N2)CC1 BB52-7465 [0,0,0,1,0,1|2,0,0]=4 67 B14R2.738 CC1=NC2=CC=CC=C2NC(=O)C1 BB52-1545 [0,0,0,1,0,1|2,0,0]=4 68 B14R2.741 CN1N=CC2=C(C=CC=C2)CC1=O BB32-1533 [0,0,0,1,0,1|1,0,0]=3 69 B14R2.781 CC(=O)C1=CC2=CC=CC=C2N=C1 BB31-5758 [0,0,0,1,0,1|0,0,1]=3 70 B14R2.4529 CC(=O)C1=CC2=C(C=C(Br)C=C2)O1 BB31-9406 [0,1,0,1,0,0|1,0,0]=3 71 B14R2.4529 CC(=O)C1=NC2=CC=C(Cl)C=C2N1 BB52-8617 [0,1,0,1,0,0|2,0,0]=4 72 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)O2 BB31-7591 [0,1,0,1,0,0|2,0,0]=4 73 B14R2.4529 CC1=CC2=C(C=C1)OC(C(=O)O)=C2 BB31-0318 [0,1,0,1,0,0|2,0,0]=4 74 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)O1 BB32-2611 [0,1,0,1,0,0|2,0,0]=4 75 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)O1 BB31-4369 [0,1,0,1,0,0|2,0,0]=4 76 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)O1 BB31-4948 [0,1,0,1,0,0|2,0,0]=4 77 B14R2.8239 CC1=CC2=CC(Cl)=CC=C2N=C1Cl BB31-1927 [0,1,0,1,0,0|2,0,0]=4 78 B14R2.8239 CC1=CC=C2N=C(C)C(=O)NC2=C1 BB51-0034 [0,1,0,1,0,0|2,0,0]=4 79 B14R2.8239 CC1=NC2=CC(Br)=CC=C2NC1=O BB51-0035 [0,1,0,1,0,0|2,0,0]=4 80 B14R2.8239 CC1=NC2=CC=C(Cl)C=C2NC1=O BB51-0033 [0,1,0,1,0,0|2,0,0]=4 81 B14R2.972 COC(=O)C1=CC2=C(C=NC=C2)S1 BB31-8559 [0,1,0,1,0,0|2,0,0]=4 82 B14R2.972 COC(=O)C1=CC2=CC=CN=C2S1 BB32-0535 [0,1,0,1,0,0|2,0,0]=4 83 B14R2.972 COC(=O)C1=CN2C=CC=CC2=C1 BB32-0550 [0,1,0,1,0,0|1,0,1]=4 84 B14R2.972 COC(=O)C1=NN2C=CC=CC2=C1 BB31-6241 [0,1,0,1,0,0|2,0,0]=4 85 B14R2.1128 COC1=CC2=CC=CC=C2C=C1O BB31-5802 [0,1,0,1,0,0|0,0,2]=4 86 B14R2.1128 O=C1NC2=C(C=CC=C2)C=C1CO BB31-7473 [0,1,0,1,0,0|1,0,0]=3 87 B14R2.1128 O=CC1=CC2=C(C=CC=C2)OC1=O BB52-7366 [0,1,0,1,0,0|1,0,1]=4 88 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1O BB31-5796 [0,1,0,1,0,0|1,0,1]=4 89 B14R2.1128 OCC1=CC2=CC=CC=C2N=C1Cl BB31-1316 [0,1,0,1,0,0|2,0,0]=4 90 B14R2.8188 CC1=C(O)C2=C(C=CC=C2)NC1=O BB32-0539 [0,1,0,1,0,0|1,0,0]=3 91 B14R2.8188 CC1=NC2=CC=CC=C2C(O)=C1Br BB32-3659 [0,1,0,1,0,0|2,0,0]=4 92 B14R2.8188 CC1=NC2=CC=CC=C2C(O)=C1I BB32-3084 [0,1,0,1,0,0|2,0,0]=4 93 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)S2 BB31-3400 [0,1,0,1,0,0|2,0,0]=4 94 B14R2.7969 CC1=CC=CC2=C1OC(C(=O)O)=C2 BB32-0840 [0,1,0,1,0,0|2,0,0]=4 95 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2N1 BB52-6028 [0,1,0,1,0,0|2,0,0]=4 96 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 BB31-6787 [0,1,0,1,0,0|2,0,0]=4 97 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 BB52-6029 [0,1,0,1,0,0|2,0,0]=4 98 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2N1 BB52-6030 [0,1,0,1,0,0|2,0,0]=4 99 B14R2.28472 CC1=C(N)C=C2C=CC=C(F)C2=N1 BB31-1422 [0,1,0,1,0,0|2,0,0]=4 100 B14R2.450 CC(=O)C1=C(N)C2=CC=CC=C2O1 BB52-8372 [0,1,0,1,0,0|1,0,0]=3 101 B14R2.450 CC1=C(C(=O)O)CC2=C1C=CC=C2 BB31-5807 [0,1,0,1,0,0|1,0,0]=3 102 B14R2.450 NC(=O)C1=C(Cl)C2=CC=CC=C2S1 BB52-4017 [0,1,0,1,0,0|2,0,0]=4 103 B14R2.450 NC1=C(C(=O)O)SC2=C1C=CC=C2 BB32-1371 [0,1,0,1,0,0|2,0,0]=4 104 B14R2.450 O=C(Cl)C1=C(Cl)C2=C(C=CC=C2)S1 BB52-5061 [0,1,0,1,0,0|2,0,0]=4 105 B10R1.15 C=C(CC)C1=CC=CC=C1 BB31-3793 [1,0,0,0,1,0|0,0,2]=4 106 B10R1.15 COC(=N)C1=CC=CC=C1 BB31-6235 [1,0,0,0,1,0|2,0,0]=4