0 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 BB31-2799 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.27 COC(=O)C#CC1=NC=CC=C1 BB31-6213 [0,0,0,0,0,0|1,0,2]=3 2 B12R1.27 COC(=O)CCC1=NC=CC=C1 BB31-4510 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.27 COC(=O)CNC1=CC=CC=C1 BB32-1728 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.27 O=C(CBr)NCC1=CC=CN=C1 BB52-9526 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.27 O=C(CBr)NCC1=CC=NC=C1 BB53-0757 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.27 O=C(CBr)NCC1=NC=CC=C1 BB53-1125 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.27 O=C(CCl)NCC1=CC=NC=C1 BB53-1145 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.28 CCCCCC1=CC=NC=C1 BB31-4566 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.91 NC(=O)CCC1=CN=CC=C1 BB31-6760 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.91 NC(=O)CNC1=CC=CC=C1 BB32-1447 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.91 O=C(O)C#CC1=CC=NC=C1 BB31-5726 [1,0,0,0,0,0|1,0,2]=4 12 B11R1.91 O=C(O)C#CC1=CN=CC=C1 BB32-3318 [1,0,0,0,0,0|1,0,2]=4 13 B11R1.91 O=C(O)CCC1=CC=NC=C1 BB52-8563 [1,0,0,0,0,0|1,0,0]=2 14 B11R1.91 O=C(O)CCC1=NC=CC=C1 BB52-8590 [1,0,0,0,0,0|1,0,0]=2 15 B11R1.91 O=C(O)COC1=CN=CC=C1 BB31-6546 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.91 O=C(O)CSC1=NC=CC=C1 BB52-3334 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.91 O=C(O)CSC1=NC=CC=N1 BB52-1566 [1,0,0,0,0,0|3,0,0]=4 18 B13R1.11 COC(=O)CC(N)C1=CN=CC=C1 BB31-8370 [0,1,0,0,0,0|1,0,0]=2 19 B13R1.14 COC(=O)C#CC1=CC=C(F)C=C1 BB32-1958 [0,1,0,0,0,0|0,0,2]=3 20 B13R1.14 COC(=O)CCC1=CC=C(C)C=C1 BB32-3522 [0,1,0,0,0,0|0,0,0]=1 21 B13R1.14 COC(=O)CCC1=CC=C(F)C=C1 BB31-4540 [0,1,0,0,0,0|0,0,0]=1 22 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 BB32-1808 [0,1,0,0,0,0|0,0,0]=1 23 B13R1.14 COC(=O)CSC1=CC=C(Cl)N=N1 BB52-5734 [0,1,0,0,0,0|3,0,0]=4 24 B13R1.15 CNC(=O)CCC1=CC(N)=CC=C1 BB31-9102 [0,1,0,0,0,0|1,0,0]=2 25 B13R1.15 COC(=O)CCC1=CC=CC(F)=C1 BB32-2078 [0,1,0,0,0,0|0,0,0]=1 26 B13R1.42 C=CNC(=O)OCC1=CC=CC=C1 BB31-5020 [0,1,0,0,0,0|2,0,1]=4 27 B13R1.42 O=C(CCBr)OCC1=CC=CC=C1 BB31-7456 [0,1,0,0,0,0|2,0,0]=3 28 B13R1.42 O=C(CCCl)NCC1=CC=CN=C1 BB52-9649 [0,1,0,0,0,0|3,0,0]=4 29 B13R1.42 O=C(CCCl)NCC1=CC=NC=C1 BB52-8927 [0,1,0,0,0,0|3,0,0]=4 30 B13R1.42 O=C(CCCl)NCC1=NC=CC=C1 BB52-9996 [0,1,0,0,0,0|3,0,0]=4 31 B13R1.42 O=C(COC1=CC=CC=C1)N=C=S BB12-5747 [0,1,0,0,0,0|2,0,1]=4 32 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 BB31-5428 [0,1,0,0,0,0|1,0,0]=2 33 B13R1.135 COC(=O)C(Br)CC1=CC=CC=C1 BB32-1982 [0,1,0,0,0,0|0,0,0]=1 34 B13R1.135 COC(=O)C(Cl)CC1=CC=CC=C1 BB31-4052 [0,1,0,0,0,0|0,0,0]=1 35 B13R1.351 CC(Br)C(=O)NCC1=CC=CN=C1 BB53-0024 [0,1,0,0,0,0|3,0,0]=4 36 B13R1.351 CC(Br)C(=O)NCC1=CC=NC=C1 BB52-9340 [0,1,0,0,0,0|3,0,0]=4 37 B13R1.351 CC(Br)C(=O)NCC1=NC=CC=C1 BB52-9901 [0,1,0,0,0,0|3,0,0]=4 38 B13R1.351 CC(Cl)C(=O)NCC1=CC=CN=C1 BB52-9801 [0,1,0,0,0,0|3,0,0]=4 39 B13R1.351 CC(Cl)C(=O)NCC1=CC=NC=C1 BB53-0945 [0,1,0,0,0,0|3,0,0]=4 40 B13R1.351 CC(Cl)C(=O)NCC1=NC=CC=C1 BB53-0856 [0,1,0,0,0,0|3,0,0]=4 41 B13R1.351 C[C@@H](O)C(=O)OCC1=CC=CC=C1 BB31-6885 [0,1,0,0,0,0|2,0,0]=3 42 B13R2.10 O=C1N=C(C2=CC=CC=C2)NO1 BB31-2554 [0,0,0,1,0,0|2,0,1]=4 43 B13R2.15272 COC(=O)C1CC2=C1C=CC=C2 BB32-2031 [0,0,0,1,0,0|0,0,0]=1 44 B11R1.25 COC(=O)CCN1C=CC=N1 BB52-8624 [0,0,0,0,1,0|2,0,0]=3 45 B11R1.40 NCC(=O)CC1=CC=CC=C1 BB31-4674 [0,0,0,0,1,0|2,0,0]=3 46 B11R1.40 NNC(=O)OC1=CC=CC=C1 BB31-5306 [0,0,0,0,1,0|3,0,0]=4 47 B11R1.40 O=C(CO)NC1=CC=CC=C1 BB32-2558 [0,0,0,0,1,0|3,0,0]=4 48 B13R1.718 COC(=O)CCNC1=NC=CC=C1 BB32-2272 [0,0,0,0,0,1|1,0,0]=2 49 B10R1.17 CCCCC1=CC=CN=C1 BB31-4701 [2,0,0,0,0,0|1,0,1]=4 50 B12R1.8 NCCCCCC1=CC=CC=C1 BB31-3637 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 BB32-3592 [1,1,0,0,0,0|0,0,1]=3 52 B12R1.267 COCCOC1=C(Br)C=CC=C1 BB31-8411 [1,1,0,0,0,0|1,0,1]=4 53 B12R1.267 COCCOC1=C(N)C=CC=C1 BB31-7064 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.21 CC1=CC=C(C#CC(=O)O)C=C1 BB31-7651 [1,1,0,0,0,0|0,0,2]=4 55 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 BB12-5413 [1,1,0,0,0,0|1,0,0]=3 56 B12R1.21 NC(=O)CCC1=CC=C(O)C=C1 BB31-8097 [1,1,0,0,0,0|1,0,0]=3 57 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB12-5412 [1,1,0,0,0,0|0,0,0]=2 58 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O BB31-3006 [1,1,0,0,0,0|1,0,0]=3 59 B12R1.43 O=C(O)[C@H](Br)CC1=CC=CC=C1 BB31-7674 [1,1,0,0,0,0|0,0,0]=2 60 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 BB32-3562 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 BB31-1753 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 BB31-5440 [1,1,0,0,0,0|0,0,0]=2 63 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 BB31-5414 [1,1,0,0,0,0|0,0,0]=2 64 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 BB31-8714 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 BB31-8656 [1,1,0,0,0,0|1,0,0]=3 66 B12R1.125 O=C(O)C#CC1=C(F)C=CC=C1 BB32-3709 [1,1,0,0,0,0|0,0,2]=4 67 B12R1.226 O=C(O)C#CC1=CC=CC(Cl)=C1 BB31-6988 [1,1,0,0,0,0|0,0,2]=4 68 B12R1.26 COC(=O)CCC1=CC(Cl)=NO1 BB52-3912 [0,1,0,0,1,0|2,0,0]=4 69 B12R1.51 CCOC(=O)CCN1C=CN=C1 BB52-8380 [0,1,0,0,1,0|2,0,0]=4 70 B12R1.108 COC(=O)C(C)CN1C=CC=N1 BB52-8679 [0,1,0,0,1,0|2,0,0]=4 71 B12R1.34 C=C(C(=O)OC)C1=CC=CC=C1 BB32-0740 [0,1,0,0,1,0|0,0,1]=3 72 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 BB12-7973 [0,1,0,0,1,0|0,0,0]=2 73 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 BB05-3247 [0,1,0,0,1,0|0,0,0]=2 74 B12R1.49 CCC(=O)CC1=CC=C(C)C=C1 BB31-5466 [0,1,0,0,1,0|1,0,0]=3 75 B12R1.371 CCC(=O)NC1=C(N)C=CC=C1 BB12-7663 [0,1,0,0,1,0|2,0,0]=4 76 B12R1.371 COC(=O)CC1=C(Br)C=CC=N1 BB31-4026 [0,1,0,0,1,0|1,0,0]=3 77 B12R1.371 COC(=O)CC1=C(Br)C=NC=C1 BB32-0491 [0,1,0,0,1,0|1,0,0]=3 78 B12R1.371 COC(=O)NC1=C(C)C=CN=C1 BB31-7217 [0,1,0,0,1,0|2,0,0]=4 79 B14R1.520 CCOC(=O)C\N=C\C1=CC=CC=C1 BB32-1957 [0,1,0,0,0,1|0,0,1]=3 80 B14R1.520 CCOC(=O)NOCC1=CC=CC=C1 BB32-2867 [0,1,0,0,0,1|1,0,0]=3 81 B14R1.10 COC(=O)C[C@@H](N)C1=CC=C(Br)C=C1 BB31-5327 [0,2,0,0,0,0|0,0,0]=2 82 B14R1.5 COC(=O)C#CC1=CC=C(OC)C=C1 BB31-7091 [0,2,0,0,0,0|0,0,2]=4 83 B14R1.5 COC(=O)CCC1=CC=C(C#N)C=C1 BB31-6898 [0,2,0,0,0,0|0,0,0]=2 84 B14R1.5 COC(=O)COC1=CC=C(C=O)C=C1 BB12-5455 [0,2,0,0,0,0|1,0,0]=3 85 B14R1.5 COC(=O)COC1=CC=C(CO)C=C1 BB12-5454 [0,2,0,0,0,0|1,0,0]=3 86 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 87 B14R1.134 COC(=O)[C@H](O)CC1=CC=C(F)C=C1 BB31-1105 [0,2,0,0,0,0|0,0,0]=2 88 B14R1.502 CCOC(=O)C#CC1=CC=C(F)C=C1 BB31-3401 [0,2,0,0,0,0|0,0,2]=4 89 B14R1.502 CCOC(=O)COC1=CC=C(F)C=C1 BB31-6869 [0,2,0,0,0,0|1,0,0]=3 90 B14R1.502 CCOC(=O)COC1=CC=C(O)C=C1 BB32-1011 [0,2,0,0,0,0|1,0,0]=3 91 B14R1.502 CCOC(=O)CSC1=CC=C(Cl)C=C1 BB32-2445 [0,2,0,0,0,0|1,0,0]=3 92 B14R1.727 COC(=O)\C=C\C1=C(Cl)C=C(Cl)C=C1 BB12-5129 [0,2,0,0,0,0|0,0,2]=4 93 B14R1.833 COC(=O)\C=C\C1=CC(F)=C(F)C=C1 BB32-1193 [0,2,0,0,0,0|0,0,2]=4 94 B14R1.32 CCOC(=O)CCC1=CC(C)=CC=C1 BB31-7208 [0,2,0,0,0,0|0,0,0]=2 95 B14R1.32 CCOC(=O)CCC1=CC(O)=CC=C1 BB32-1696 [0,2,0,0,0,0|0,0,0]=2 96 B14R1.32 CCOC(=O)CNC1=CC=CC(Br)=C1 BB31-4352 [0,2,0,0,0,0|1,0,0]=3 97 B14R1.77 COC(=O)COC1=CC=CC(C=O)=C1 BB12-5451 [0,2,0,0,0,0|1,0,0]=3 98 B14R1.77 COC(=O)COC1=CC=CC(CO)=C1 BB12-5452 [0,2,0,0,0,0|1,0,0]=3 99 B14R1.135 COC(=O)C(O)CC1=CC(O)=CC=C1 BB31-2929 [0,2,0,0,0,0|0,0,0]=2 100 B14R1.598 CCOC(=O)CCC1=C(Cl)C=CC=C1 BB32-1467 [0,2,0,0,0,0|0,0,0]=2 101 B14R1.598 CCOC(=O)CCC1=C(O)C=CC=C1 BB31-4130 [0,2,0,0,0,0|0,0,0]=2 102 B14R1.598 CCOC(=O)\C=C\C1=C(F)C=CC=C1 BB31-6357 [0,2,0,0,0,0|0,0,2]=4 103 B14R1.1031 CN[C@@H](CC1=CC=CC=C1)C(=O)OC BB31-3544 [0,2,0,0,0,0|0,0,0]=2 104 B14R1.1107 COC(=O)C(C)(C)OC1=CC=CC=C1 BB12-7960 [0,2,0,0,0,0|1,0,0]=3 105 B12R2.41 C1=CC2=C(C=C1)CCNCC2 BB31-3408 [1,0,0,1,0,0|2,0,0]=4 106 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 BB31-3001 [1,0,0,1,0,0|1,0,1]=4 107 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 BB32-3180 [1,0,0,1,0,0|1,0,0]=3 108 B12R2.24 CC1=NC2=CC=CC=C2SC1 BB52-7622 [1,0,0,1,0,0|2,0,0]=4 109 B12R2.24 CN1CCC2=C(C=CC=C2)C1 BB32-2641 [1,0,0,1,0,0|2,0,0]=4 110 B12R2.3190 O=C(O)C1CC2=C1C=CC=C2 BB31-2766 [1,0,0,1,0,0|0,0,0]=2 111 B12R2.18 CN1C(=O)CC2=C1N=CC=C2 BB31-2974 [0,0,0,1,1,0|2,0,0]=4 112 B14R2.68 O=C1CCN(C2=CC=NC=C2)CC1 BB31-1589 [0,0,0,1,0,1|2,0,0]=4 113 B14R2.68 O=C1COC(C2=CC=CC=C2)CN1 BB32-2900 [0,0,0,1,0,1|1,0,0]=3 114 B14R2.95 COC(=O)C1=C2C=CC=CC2=CN1 BB32-3438 [0,0,0,1,0,1|0,0,2]=4 115 B14R2.95 COC(=O)C1=COC2=C1C=CC=C2 BB32-2832 [0,0,0,1,0,1|0,0,2]=4 116 B14R2.95 COC(=O)C1=CSC2=C1C=CC=C2 BB31-4185 [0,0,0,1,0,1|0,0,2]=4 117 B14R2.95 COC(=O)C1=NOC2=C1C=CC=C2 BB31-9365 [0,0,0,1,0,1|1,0,1]=4 118 B14R2.95 O=C(CBr)N1CCC2=CC=CC=C21 BB53-1072 [0,0,0,1,0,1|2,0,0]=4 119 B14R2.95 O=C(CS)N1CCC2=CC=CC=C21 BB52-7352 [0,0,0,1,0,1|2,0,0]=4 120 B14R2.21 O=C1CCCC(C2=CC=CC=C2)N1 BB32-1877 [0,1,0,1,0,0|2,0,0]=4 121 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 BB31-2627 [0,1,0,1,0,0|1,0,0]=3 122 B14R2.21 O=C1COC[C@H](C2=CC=CC=C2)N1 BB31-8770 [0,1,0,1,0,0|1,0,0]=3 123 B14R2.29369 CN1C(=O)CCC2=C1C=CC(N)=C2 BB32-1233 [0,1,0,1,0,0|1,0,0]=3 124 B14R2.30 O=C1C=CCN1CC2=CC=CC=C2 BB32-3374 [0,1,0,1,0,0|2,0,0]=4 125 B10R1.18 CC(=O)CC1=CN=CC=C1 BB32-2986 [1,0,0,0,1,0|1,0,0]=3 126 B10R1.18 O=C(O)CC1=NC=CN=C1 BB31-2541 [1,0,0,0,1,0|2,0,0]=4 127 B10R1.66 CC(=O)CCN1C=CC=N1 BB52-8699 [1,0,0,0,1,0|2,0,0]=4 128 B10R1.66 O=C(O)CCC1=CC=CN1 BB32-1801 [1,0,0,0,1,0|1,0,0]=3 129 B10R1.66 O=C(O)CCC1=CNC=N1 BB31-7932 [1,0,0,0,1,0|2,0,0]=4 130 B10R1.66 O=C(O)CCC1=NC=CN1 BB31-3671 [1,0,0,0,1,0|2,0,0]=4 131 B10R1.66 O=C(O)CCC1=NC=CS1 BB31-2782 [1,0,0,0,1,0|2,0,0]=4 132 B10R1.27 COC(=O)CN1C=CC=N1 BB31-6200 [0,0,0,0,2,0|2,0,0]=4 133 B10R1.27 COC(=O)CN1C=CN=C1 BB52-8512 [0,0,0,0,2,0|2,0,0]=4 134 B10R1.15 C=C(CC)C1=CC=CC=C1 BB31-3793 [0,0,0,0,2,0|2,0,0]=4 135 B10R1.15 COC(=N)C1=CC=CC=C1 BB31-6235 [0,0,0,0,2,0|1,0,0]=3 136 B10R1.15 COC(=O)C1=CN=NC=C1 BB31-6242 [0,0,0,0,2,0|2,0,0]=4 137 B14R1.716 COC(=O)CCCCC1=CC=CC=C1 BB31-3851 [0,0,0,0,0,2|0,0,0]=2