0 B12R1.43 CC(SC1=NC=CC=N1)C(=O)O BB52-1567 [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|2,0,0]=2 2 B12R1.43 O=C(O)[C@H](Br)CC1=CC=CC=C1 BB31-7674 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.40 NCC(O)CC1=CC=CC=C1 BB32-2349 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.91 NC(=O)CCC1=CN=CC=C1 BB31-6760 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.91 NC(=O)CNC1=CC=CC=C1 BB32-1447 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.91 O=C(O)C#CC1=CC=NC=C1 BB31-5726 [1,0,0,0,0,0|1,0,2]=4 7 B11R1.91 O=C(O)C#CC1=CN=CC=C1 BB32-3318 [1,0,0,0,0,0|1,0,2]=4 8 B11R1.91 O=C(O)CCC1=CC=NC=C1 BB52-8563 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.91 O=C(O)CCC1=NC=CC=C1 BB52-8590 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.91 O=C(O)COC1=CN=CC=C1 BB31-6546 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.91 O=C(O)CSC1=NC=CC=C1 BB52-3334 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.91 O=C(O)CSC1=NC=CC=N1 BB52-1566 [1,0,0,0,0,0|3,0,0]=4 13 B13R1.133 CC(CC1=CC=C(F)C=C1)C(=O)O BB32-0888 [0,1,0,0,0,0|1,0,0]=2 14 B13R1.133 O=C(O)C(O)CC1=CC=C(Cl)C=C1 BB31-4228 [0,1,0,0,0,0|1,0,0]=2 15 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(F)C=C1 BB31-1106 [0,1,0,0,0,0|1,0,0]=2 16 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 BB31-5428 [0,1,0,0,0,0|1,0,0]=2 17 B13R1.135 COC(=O)C(Br)CC1=CC=CC=C1 BB32-1982 [0,1,0,0,0,0|1,0,0]=2 18 B13R1.135 COC(=O)C(Cl)CC1=CC=CC=C1 BB31-4052 [0,1,0,0,0,0|1,0,0]=2 19 B13R1.135 NC(CC1=CC=CC=C1)C(O)CCl BB31-7178 [0,1,0,0,0,0|1,0,1]=3 20 B13R1.148 N[C@@H](CC1=CC=CC(I)=C1)C(=O)O BB31-4114 [0,1,0,0,0,0|0,0,0]=1 21 B13R1.418 N#CC(CC1=CC=CC=C1)C(=O)O BB32-2248 [0,1,0,0,0,0|0,0,1]=2 22 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O BB31-3737 [0,1,0,0,0,0|0,0,0]=1 23 B13R1.418 O=C(O)[C@@H](CO)CC1=CC=CC=C1 BB31-0992 [0,1,0,0,0,0|1,0,0]=2 24 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)Cl BB12-7959 [0,1,0,0,0,0|3,0,0]=4 25 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O BB12-7957 [0,1,0,0,0,0|2,0,0]=3 26 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(N)=O BB12-7958 [0,1,0,0,0,0|3,0,0]=4 27 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1Br BB31-7389 [0,0,0,1,0,0|1,0,2]=4 28 B13R2.435 NC(=O)C1=CC2=C(C=CC=C2)N1 BB32-0448 [0,0,0,1,0,0|1,0,2]=4 29 B13R2.435 NC(=O)C1=NC2=C(C=CC=C2)N1 BB31-5523 [0,0,0,1,0,0|2,0,1]=4 30 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)N1 BB32-0944 [0,0,0,1,0,0|1,0,2]=4 31 B11R1.35 CC(CN1C=CC=N1)C(=O)O BB53-0168 [0,0,0,0,1,0|3,0,0]=4 32 B11R1.35 CC(CN1C=CN=C1)C(=O)O BB52-9189 [0,0,0,0,1,0|3,0,0]=4 33 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O BB32-1298 [0,0,0,0,1,0|1,0,0]=2 34 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 BB32-1369 [0,0,0,0,1,0|1,0,0]=2 35 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 BB31-5054 [0,0,0,0,1,0|2,0,1]=4 36 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 BB31-7042 [0,0,0,0,1,0|2,0,1]=4 37 B11R1.36 NC(C(=O)O)C1=NC=CC=C1 BB31-5646 [0,0,0,0,1,0|1,0,0]=2 38 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 BB32-1690 [0,0,0,0,0,1|2,0,1]=4 39 B13R1.348 CC(CC(=O)O)SC1=NC=CC=C1 BB53-0715 [0,0,0,0,0,1|3,0,0]=4 40 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 BB31-4405 [0,0,0,0,0,1|0,0,0]=1 41 B13R1.351 CC(CCC1=CC=CC=C1)C(=O)O BB32-0518 [0,0,0,0,0,1|1,0,0]=2 42 B13R1.351 CC(CSC1=NC=CC=C1)C(=O)O BB53-0290 [0,0,0,0,0,1|2,0,0]=3 43 B13R1.351 O=C(O)C(=O)NCC1=CC=CN=C1 BB52-9157 [0,0,0,0,0,1|2,0,1]=4 44 B13R1.351 O=C(O)C(=O)NCC1=CC=NC=C1 BB52-9602 [0,0,0,0,0,1|2,0,1]=4 45 B13R1.351 O=C(O)C(=O)NCC1=NC=CC=C1 BB53-0207 [0,0,0,0,0,1|2,0,1]=4 46 B13R1.351 O=C(O)C(Br)CCC1=CC=CC=C1 BB31-3255 [0,0,0,0,0,1|1,0,0]=2 47 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 BB32-3592 [1,1,0,0,0,0|0,0,1]=3 48 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 BB31-6128 [1,1,0,0,0,0|0,0,1]=3 49 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 BB31-6129 [1,1,0,0,0,0|0,0,1]=3 50 B12R1.21 CC1=CC=C(C#CC(=O)O)C=C1 BB31-7651 [1,1,0,0,0,0|0,0,2]=4 51 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 BB12-5413 [1,1,0,0,0,0|1,0,0]=3 52 B12R1.21 NC(=O)CCC1=CC=C(O)C=C1 BB31-8097 [1,1,0,0,0,0|1,0,0]=3 53 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB12-5412 [1,1,0,0,0,0|0,0,0]=2 54 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 BB31-2799 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.27 COC(=O)CCC1=NC=CC=C1 BB31-4510 [1,1,0,0,0,0|1,0,0]=3 56 B12R1.27 COC(=O)CNC1=CC=CC=C1 BB32-1728 [1,1,0,0,0,0|1,0,0]=3 57 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 BB31-5440 [1,1,0,0,0,0|0,0,0]=2 58 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 BB31-5414 [1,1,0,0,0,0|0,0,0]=2 59 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 BB31-8714 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 BB31-8656 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.125 O=C(O)C#CC1=C(F)C=CC=C1 BB32-3709 [1,1,0,0,0,0|0,0,2]=4 62 B12R1.226 O=C(O)C#CC1=CC=CC(Cl)=C1 BB31-6988 [1,1,0,0,0,0|0,0,2]=4 63 B12R1.20 CC(C(=O)O)C1=CC=C(Br)C=C1 BB32-2376 [0,1,0,0,1,0|1,0,0]=3 64 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 BB32-3174 [0,1,0,0,1,0|1,0,0]=3 65 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 BB32-0141 [0,1,0,0,1,0|0,0,0]=2 66 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 BB32-3698 [0,1,0,0,1,0|1,0,1]=4 67 B12R1.20 O=C(O)C(=O)C1=CC=C(O)C=C1 BB31-2963 [0,1,0,0,1,0|1,0,1]=4 68 B12R1.124 CC(C(=O)O)C1=C(Cl)C=CC=C1 BB31-8139 [0,1,0,0,1,0|1,0,0]=3 69 B12R1.124 NC(C(=O)O)C1=C(O)C=CC=C1 BB31-4343 [0,1,0,0,1,0|0,0,0]=2 70 B12R1.124 O=C(O)C(=O)C1=C(Cl)C=CC=C1 BB31-4381 [0,1,0,0,1,0|1,0,1]=4 71 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 BB32-0915 [0,1,0,0,1,0|0,0,0]=2 72 B12R1.253 O=C(O)C(F)(F)C1=NC=CC=C1 BB31-9287 [0,1,0,0,1,0|2,0,0]=4 73 B12R1.478 CCC(C(N)=O)C1=CC=CC=C1 BB31-4874 [0,1,0,0,1,0|2,0,0]=4 74 B12R1.478 CN[C@H](C(=O)O)C1=CC=CC=C1 BB31-4378 [0,1,0,0,1,0|0,0,0]=2 75 B12R1.478 N#CC(C(N)=O)C1=CC=CC=C1 BB31-7070 [0,1,0,0,1,0|1,0,1]=4 76 B12R1.478 NC[C@@H](C(=O)O)C1=CC=CC=C1 BB31-2435 [0,1,0,0,1,0|0,0,0]=2 77 B12R1.478 O=C(O)[C@@H](CO)C1=CC=CC=C1 BB32-0839 [0,1,0,0,1,0|1,0,0]=3 78 B12R1.478 O=C(O)[C@H](CO)C1=CC=CC=C1 BB32-0834 [0,1,0,0,1,0|1,0,0]=3 79 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Cl)C=C1 BB32-0893 [0,1,0,0,0,1|0,0,0]=2 80 B14R1.5978 N[C@H](CC(=O)O)CC1=CC=CC(Cl)=C1 BB32-1950 [0,1,0,0,0,1|0,0,0]=2 81 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(Br)C=C1 BB31-2342 [0,2,0,0,0,0|0,0,0]=2 82 B14R1.134 COC(=O)[C@H](O)CC1=CC=C(F)C=C1 BB31-1105 [0,2,0,0,0,0|1,0,0]=3 83 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O BB31-5790 [0,2,0,0,0,0|0,0,0]=2 84 B14R1.686 N[C@H](CC1=CC(F)=C(F)C=C1)C(=O)O BB31-4315 [0,2,0,0,0,0|0,0,0]=2 85 B14R1.686 O=C(O)C(=O)CC1=CC(O)=C(O)C=C1 BB32-1699 [0,2,0,0,0,0|1,0,1]=4 86 B14R1.6049 CC1=CC(C)=C(C[C@@H](N)C(=O)O)C=C1 BB31-7720 [0,2,0,0,0,0|0,0,0]=2 87 B14R1.6049 NC(CC1=C(F)C=C(Br)C=C1)C(=O)O BB32-2870 [0,2,0,0,0,0|0,0,0]=2 88 B14R1.7626 C[C@@](N)(CC1=CC=C(O)C=C1)C(=O)O BB31-7077 [0,2,0,0,0,0|0,0,0]=2 89 B14R1.135 COC(=O)C(O)CC1=CC(O)=CC=C1 BB31-2929 [0,2,0,0,0,0|1,0,0]=3 90 B14R1.1031 CN[C@@H](CC1=CC=CC=C1)C(=O)OC BB31-3544 [0,2,0,0,0,0|0,0,0]=2 91 B14R1.1107 COC(=O)C(C)(C)OC1=CC=CC=C1 BB12-7960 [0,2,0,0,0,0|2,0,0]=4 92 B14R1.75 NCC1=CC=CC(C[C@H](N)C(=O)O)=C1 BB32-3224 [0,2,0,0,0,0|0,0,0]=2 93 B14R1.4257 CC1=CC(C)=CC(CC(N)C(=O)O)=C1 BB31-9386 [0,2,0,0,0,0|0,0,0]=2 94 B14R1.4257 N[C@@H](CC1=CC(Cl)=CC(Cl)=C1)C(=O)O BB31-2471 [0,2,0,0,0,0|0,0,0]=2 95 B12R2.24 NC1CNC2=C(C=CC=C2)C1 BB32-1614 [1,0,0,1,0,0|1,0,1]=4 96 B12R2.24 NC1COC2=C(C=CC=C2)C1 BB31-4949 [1,0,0,1,0,0|0,0,1]=3 97 B12R2.32 O=CC1CC2=C(C=CC=C2)C1 BB32-1577 [1,0,0,1,0,0|1,0,0]=3 98 B12R2.32 OCC1CC2=C(C=CC=C2)C1 BB32-2348 [1,0,0,1,0,0|1,0,1]=4 99 B12R2.32 OC[C@@H]1CC2=C(C=CC=C2)N1 BB31-4454 [1,0,0,1,0,0|0,0,1]=3 100 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 BB32-3180 [1,0,0,1,0,0|1,0,0]=3 101 B12R2.3190 O=C(O)C1CC2=C1C=CC=C2 BB31-2766 [1,0,0,1,0,0|0,0,0]=2 102 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2N1 BB52-0905 [0,0,0,1,0,1|1,0,1]=4 103 B14R2.741 CC1CNC2=CC=CC=C2NC1=O BB52-0222 [0,0,0,1,0,1|2,0,0]=4 104 B14R2.779 O=C(O)C1CC(C2=CC=CC=C2)C1 BB32-3835 [0,0,0,1,0,1|1,0,0]=3 105 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 BB51-1488 [0,0,0,1,0,1|1,0,1]=4 106 B14R2.781 O=C(O)C1CCC2=C(C=CC=N2)C1 BB31-1265 [0,0,0,1,0,1|2,0,0]=4 107 B14R2.781 O=C(O)C1CNC2=C(C=CC=C2)C1 BB31-0567 [0,0,0,1,0,1|1,0,0]=3 108 B14R2.4529 O=C(O)C1=NC2=CC(Cl)=CC=C2N1 BB52-8433 [0,1,0,1,0,0|1,0,1]=4 109 B14R2.4529 O=C(O)C1=NC2=CC(F)=CC=C2N1 BB52-8434 [0,1,0,1,0,0|1,0,1]=4 110 B14R2.4529 O=C(O)C1CC2=C(C=CC(Cl)=C2)N1 BB31-0317 [0,1,0,1,0,0|0,0,0]=2 111 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2N1 BB52-6028 [0,1,0,1,0,0|0,0,2]=4 112 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 BB31-6787 [0,1,0,1,0,0|0,0,2]=4 113 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 BB52-6029 [0,1,0,1,0,0|0,0,2]=4 114 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2N1 BB52-6030 [0,1,0,1,0,0|0,0,2]=4 115 B14R2.7969 O=C(O)C1CC2=CC=CC(Br)=C2C1 BB31-4132 [0,1,0,1,0,0|1,0,0]=3 116 B14R2.450 CC1=C(C(=O)O)CC2=C1C=CC=C2 BB31-5807 [0,1,0,1,0,0|1,0,1]=4 117 B14R2.450 NC1=C(C(=O)O)SC2=C1C=CC=C2 BB32-1371 [0,1,0,1,0,0|1,0,1]=4 118 B14R2.789 NC1(C(=O)O)CC2=C(C=CC=C2)C1 BB31-8045 [0,1,0,1,0,0|0,0,0]=2 119 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 BB31-4000 [1,0,0,0,1,0|1,0,1]=4 120 B10R1.15 C[C@H](CO)C1=CC=CC=C1 BB31-5425 [1,0,0,0,1,0|1,0,1]=4 121 B10R1.15 NC(CO)C1=NC=CC=C1 BB31-5647 [1,0,0,0,1,0|1,0,1]=4 122 B10R1.66 O=C(O)CCC1=CC=CN1 BB32-1801 [1,0,0,0,1,0|1,0,0]=3 123 B10R1.66 O=C(O)CCC1=CNC=N1 BB31-7932 [1,0,0,0,1,0|2,0,0]=4 124 B10R1.66 O=C(O)CCC1=NC=CN1 BB31-3671 [1,0,0,0,1,0|2,0,0]=4 125 B10R1.66 O=C(O)CCC1=NC=CS1 BB31-2782 [1,0,0,0,1,0|2,0,0]=4 126 B10R1.23 N[C@H](C(=O)O)C1=CSC=C1 BB31-0809 [0,0,0,0,2,0|1,0,0]=3 127 B12R1.252 O=C(O)CCSC1=NC=CC=C1 BB53-1033 [1,0,0,0,0,1|1,0,0]=3 128 B12R1.252 O=C(O)CNCC1=CC=NC=C1 BB52-9214 [1,0,0,0,0,1|1,0,0]=3 129 B12R1.252 O=C(O)CNCC1=CN=CC=C1 BB52-9756 [1,0,0,0,0,1|1,0,0]=3 130 B12R1.252 O=C(O)CNCC1=NC=CC=C1 BB52-9714 [1,0,0,0,0,1|1,0,0]=3 131 B14R1.818 CC(CC(=O)O)NCC1=CC=CN=C1 BB52-9510 [0,0,0,0,0,2|2,0,0]=4 132 B14R1.818 CC(CC(=O)O)NCC1=CC=NC=C1 BB52-9220 [0,0,0,0,0,2|2,0,0]=4 133 B14R1.818 CC(CC(=O)O)NCC1=NC=CC=C1 BB52-9809 [0,0,0,0,0,2|2,0,0]=4 134 B14R1.6449 CC(CNCC1=CC=CN=C1)C(=O)O BB52-9188 [0,0,0,0,0,2|2,0,0]=4 135 B14R1.6449 CC(CNCC1=CC=NC=C1)C(=O)O BB52-9687 [0,0,0,0,0,2|2,0,0]=4 136 B14R1.6449 CC(CNCC1=NC=CC=C1)C(=O)O BB53-1023 [0,0,0,0,0,2|2,0,0]=4 137 B14R1.6449 N[C@@H](C\C=C\C1=CC=CC=C1)C(=O)O BB32-0889 [0,0,0,0,0,2|0,0,0]=2