0 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 BB31-2799 [0,0,0,0,0,0|0,0,2]=2 1 B12R1.27 COC(=O)C#CC1=NC=CC=C1 BB31-6213 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.27 COC(=O)CCC1=NC=CC=C1 BB31-4510 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.27 COC(=O)CNC1=CC=CC=C1 BB32-1728 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 BB32-1672 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.27 O=C(CBr)NCC1=CC=CN=C1 BB52-9526 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.27 O=C(CBr)NCC1=CC=NC=C1 BB53-0757 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.27 O=C(CBr)NCC1=NC=CC=C1 BB53-1125 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.27 O=C(CCl)NCC1=CC=NC=C1 BB53-1145 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.28 CCCC#CC1=CC=CC=C1 BB31-3592 [1,0,0,0,0,0|1,0,2]=4 10 B11R1.28 CCCCCC1=CC=NC=C1 BB31-4566 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.91 NC(=O)CCC1=CN=CC=C1 BB31-6760 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.91 NC(=O)CNC1=CC=CC=C1 BB32-1447 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.91 O=C(O)CCC1=CC=NC=C1 BB52-8563 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.91 O=C(O)CCC1=NC=CC=C1 BB52-8590 [1,0,0,0,0,0|3,0,0]=4 15 B13R1.11 COC(=O)CC(N)C1=CN=CC=C1 BB31-8370 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.14 COC(=O)C#CC1=CC=C(F)C=C1 BB32-1958 [0,1,0,0,0,0|2,0,1]=4 17 B13R1.14 COC(=O)CCC1=CC=C(C)C=C1 BB32-3522 [0,1,0,0,0,0|2,0,0]=3 18 B13R1.14 COC(=O)CCC1=CC=C(F)C=C1 BB31-4540 [0,1,0,0,0,0|2,0,0]=3 19 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 BB32-1808 [0,1,0,0,0,0|2,0,0]=3 20 B13R1.15 CNC(=O)CCC1=CC(N)=CC=C1 BB31-9102 [0,1,0,0,0,0|2,0,0]=3 21 B13R1.15 COC(=O)CCC1=CC=CC(F)=C1 BB32-2078 [0,1,0,0,0,0|2,0,0]=3 22 B13R1.42 C=CNC(=O)OCC1=CC=CC=C1 BB31-5020 [0,1,0,0,0,0|0,0,2]=3 23 B13R1.42 O=C(CCBr)OCC1=CC=CC=C1 BB31-7456 [0,1,0,0,0,0|0,0,0]=1 24 B13R1.42 O=C(CCCl)NCC1=CC=CN=C1 BB52-9649 [0,1,0,0,0,0|2,0,0]=3 25 B13R1.42 O=C(CCCl)NCC1=CC=NC=C1 BB52-8927 [0,1,0,0,0,0|2,0,0]=3 26 B13R1.42 O=C(CCCl)NCC1=NC=CC=C1 BB52-9996 [0,1,0,0,0,0|2,0,0]=3 27 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 BB31-5428 [0,1,0,0,0,0|2,0,0]=3 28 B13R1.135 COC(=O)C(Br)CC1=CC=CC=C1 BB32-1982 [0,1,0,0,0,0|2,0,0]=3 29 B13R1.135 COC(=O)C(Cl)CC1=CC=CC=C1 BB31-4052 [0,1,0,0,0,0|2,0,0]=3 30 B13R1.254 CC(C)(CO)OCC1=CC=CC=C1 BB31-5662 [0,1,0,0,0,0|2,0,1]=4 31 B13R1.351 CC(Br)C(=O)NCC1=CC=CN=C1 BB53-0024 [0,1,0,0,0,0|2,0,0]=3 32 B13R1.351 CC(Br)C(=O)NCC1=CC=NC=C1 BB52-9340 [0,1,0,0,0,0|2,0,0]=3 33 B13R1.351 CC(Br)C(=O)NCC1=NC=CC=C1 BB52-9901 [0,1,0,0,0,0|2,0,0]=3 34 B13R1.351 CC(Cl)C(=O)NCC1=CC=CN=C1 BB52-9801 [0,1,0,0,0,0|2,0,0]=3 35 B13R1.351 CC(Cl)C(=O)NCC1=CC=NC=C1 BB53-0945 [0,1,0,0,0,0|2,0,0]=3 36 B13R1.351 CC(Cl)C(=O)NCC1=NC=CC=C1 BB53-0856 [0,1,0,0,0,0|2,0,0]=3 37 B13R1.351 C[C@@H](O)C(=O)OCC1=CC=CC=C1 BB31-6885 [0,1,0,0,0,0|0,0,0]=1 38 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 BB51-2840 [0,0,0,1,0,0|2,0,1]=4 39 B13R2.15272 COC(=O)C1CC2=C1C=CC=C2 BB32-2031 [0,0,0,1,0,0|2,0,0]=3 40 B11R1.25 O=C(CBr)NCC1=CC=CO1 BB53-0885 [0,0,0,0,1,0|3,0,0]=4 41 B11R1.40 NCC(=O)CC1=CC=CC=C1 BB31-4674 [0,0,0,0,1,0|1,0,0]=2 42 B11R1.40 NCC(O)CC1=CC=CC=C1 BB32-2349 [0,0,0,0,1,0|1,0,2]=4 43 B11R1.40 NNC(=O)OC1=CC=CC=C1 BB31-5306 [0,0,0,0,1,0|2,0,0]=3 44 B11R1.40 O=C(CO)NC1=CC=CC=C1 BB32-2558 [0,0,0,0,1,0|2,0,0]=3 45 B13R1.718 COC(=O)CCNC1=NC=CC=C1 BB32-2272 [0,0,0,0,0,1|3,0,0]=4 46 B10R1.17 CCCCC1=CC=CN=C1 BB31-4701 [2,0,0,0,0,0|1,0,1]=4 47 B12R1.8 NCCCCCC1=CC=CC=C1 BB31-3637 [1,1,0,0,0,0|1,0,1]=4 48 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 BB12-5413 [1,1,0,0,0,0|2,0,0]=4 49 B12R1.21 NC(=O)CCC1=CC=C(O)C=C1 BB31-8097 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB12-5412 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.43 O=C(O)[C@H](Br)CC1=CC=CC=C1 BB31-7674 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 BB32-3562 [1,1,0,0,0,0|1,0,1]=4 53 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 BB31-5440 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 BB31-5414 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 BB31-8714 [1,1,0,0,0,0|1,0,0]=3 56 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 BB31-8656 [1,1,0,0,0,0|1,0,0]=3 57 B12R1.51 O=C(CCCl)NCC1=CC=CO1 BB52-8951 [0,1,0,0,1,0|2,0,0]=4 58 B12R1.264 CC(Cl)C(=O)NCC1=CC=CO1 BB53-0139 [0,1,0,0,1,0|2,0,0]=4 59 B12R1.34 C=C(C(=O)OC)C1=CC=CC=C1 BB32-0740 [0,1,0,0,1,0|1,0,1]=4 60 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 BB12-7973 [0,1,0,0,1,0|1,0,0]=3 61 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 BB05-3247 [0,1,0,0,1,0|1,0,0]=3 62 B12R1.49 CCC(=O)CC1=CC=C(C)C=C1 BB31-5466 [0,1,0,0,1,0|0,0,0]=2 63 B12R1.371 CCC(=O)NC1=C(N)C=CC=C1 BB12-7663 [0,1,0,0,1,0|1,0,0]=3 64 B12R1.371 COC(=O)CC1=C(Br)C=CC=N1 BB31-4026 [0,1,0,0,1,0|2,0,0]=4 65 B12R1.371 COC(=O)CC1=C(Br)C=NC=C1 BB32-0491 [0,1,0,0,1,0|2,0,0]=4 66 B14R1.520 CCOC(=O)C\N=C\C1=CC=CC=C1 BB32-1957 [0,1,0,0,0,1|1,0,1]=4 67 B14R1.520 CCOC(=O)NOCC1=CC=CC=C1 BB32-2867 [0,1,0,0,0,1|0,0,0]=2 68 B14R1.10 COC(=O)C[C@@H](N)C1=CC=C(Br)C=C1 BB31-5327 [0,2,0,0,0,0|2,0,0]=4 69 B14R1.5 COC(=O)CCC1=CC=C(C#N)C=C1 BB31-6898 [0,2,0,0,0,0|2,0,0]=4 70 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(Br)C=C1 BB31-2342 [0,2,0,0,0,0|2,0,0]=4 71 B14R1.134 COC(=O)[C@H](O)CC1=CC=C(F)C=C1 BB31-1105 [0,2,0,0,0,0|2,0,0]=4 72 B14R1.502 CCOC(=O)C#CC1=CC=C(F)C=C1 BB31-3401 [0,2,0,0,0,0|1,0,1]=4 73 B14R1.502 CCOC(=O)COC1=CC=C(F)C=C1 BB31-6869 [0,2,0,0,0,0|2,0,0]=4 74 B14R1.502 CCOC(=O)COC1=CC=C(O)C=C1 BB32-1011 [0,2,0,0,0,0|2,0,0]=4 75 B14R1.502 CCOC(=O)CSC1=CC=C(Cl)C=C1 BB32-2445 [0,2,0,0,0,0|2,0,0]=4 76 B14R1.32 CCOC(=O)CCC1=CC(C)=CC=C1 BB31-7208 [0,2,0,0,0,0|1,0,0]=3 77 B14R1.32 CCOC(=O)CCC1=CC(O)=CC=C1 BB32-1696 [0,2,0,0,0,0|1,0,0]=3 78 B14R1.32 CCOC(=O)CNC1=CC=CC(Br)=C1 BB31-4352 [0,2,0,0,0,0|2,0,0]=4 79 B14R1.135 COC(=O)C(O)CC1=CC(O)=CC=C1 BB31-2929 [0,2,0,0,0,0|2,0,0]=4 80 B14R1.598 CCOC(=O)CCC1=C(Cl)C=CC=C1 BB32-1467 [0,2,0,0,0,0|1,0,0]=3 81 B14R1.598 CCOC(=O)CCC1=C(O)C=CC=C1 BB31-4130 [0,2,0,0,0,0|1,0,0]=3 82 B14R1.598 CCOC(=O)\C=C\C1=C(F)C=CC=C1 BB31-6357 [0,2,0,0,0,0|1,0,1]=4 83 B14R1.1031 CN[C@@H](CC1=CC=CC=C1)C(=O)OC BB31-3544 [0,2,0,0,0,0|2,0,0]=4 84 B12R2.1 CCC1=CNC2=C1C=CC=C2 BB31-2843 [1,0,0,1,0,0|2,0,0]=4 85 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 BB32-3315 [1,0,0,1,0,0|1,0,1]=4 86 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 BB32-3398 [1,0,0,1,0,0|1,0,1]=4 87 B12R2.41 C1=CC2=C(C=C1)CCNCC2 BB31-3408 [1,0,0,1,0,0|2,0,0]=4 88 B12R2.1081 OC1COCC2=C1C=CC=C2 BB31-4134 [1,0,0,1,0,0|1,0,1]=4 89 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 BB32-3180 [1,0,0,1,0,0|1,0,0]=3 90 B12R2.3190 O=C(O)C1CC2=C1C=CC=C2 BB31-2766 [1,0,0,1,0,0|2,0,0]=4 91 B12R2.18 CC1=C(C)C2=C(C=CC=C2)O1 BB32-1322 [0,0,0,1,1,0|1,0,1]=4 92 B12R2.18 CN1C(=O)CC2=C1N=CC=C2 BB31-2974 [0,0,0,1,1,0|2,0,0]=4 93 B12R2.32 BrCC1=NC2=C(C=CC=C2)O1 BB31-7029 [0,0,0,1,1,0|2,0,0]=4 94 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 BB51-3114 [0,0,0,1,1,0|2,0,0]=4 95 B12R2.32 NCC1=NC2=CC=CC=C2O1 BB52-8719 [0,0,0,1,1,0|2,0,0]=4 96 B14R2.68 O=C1CCN(C2=CC=NC=C2)CC1 BB31-1589 [0,0,0,1,0,1|2,0,0]=4 97 B14R2.68 O=C1COC(C2=CC=CC=C2)CN1 BB32-2900 [0,0,0,1,0,1|1,0,0]=3 98 B14R2.95 O=C(CBr)N1CCC2=CC=CC=C21 BB53-1072 [0,0,0,1,0,1|2,0,0]=4 99 B14R2.95 O=C(CS)N1CCC2=CC=CC=C21 BB52-7352 [0,0,0,1,0,1|2,0,0]=4 100 B14R2.21 O=C1CCCC(C2=CC=CC=C2)N1 BB32-1877 [0,1,0,1,0,0|1,0,0]=3 101 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 BB31-2627 [0,1,0,1,0,0|1,0,0]=3 102 B14R2.21 O=C1COC[C@H](C2=CC=CC=C2)N1 BB31-8770 [0,1,0,1,0,0|1,0,0]=3 103 B14R2.29369 CN1C(=O)CCC2=C1C=CC(N)=C2 BB32-1233 [0,1,0,1,0,0|2,0,0]=4 104 B14R2.30 O=C1C=CCN1CC2=CC=CC=C2 BB32-3374 [0,1,0,1,0,0|1,0,1]=4 105 B14R2.436 BrC1CC(OCC2=CC=CC=C2)C1 BB31-2787 [0,1,0,1,0,0|1,0,1]=4 106 B14R2.436 N[C@H]1C[C@@H](OCC2=CC=CC=C2)C1 BB31-4085 [0,1,0,1,0,0|1,0,1]=4 107 B14R2.436 O[C@H]1C[C@@H](OCC2=CC=CC=C2)C1 BB31-4221 [0,1,0,1,0,0|1,0,1]=4 108 B14R2.436 O[C@H]1C[C@H](OCC2=CC=CC=C2)C1 BB31-2392 [0,1,0,1,0,0|1,0,1]=4 109 B10R1.18 CC(=O)CC1=CN=CC=C1 BB32-2986 [1,0,0,0,1,0|1,0,0]=3 110 B10R1.15 C=C(CC)C1=CC=CC=C1 BB31-3793 [0,0,0,0,2,0|1,0,0]=3 111 B10R1.15 CCC(=O)C1=NC=CN=C1 BB32-2771 [0,0,0,0,2,0|2,0,0]=4 112 B10R1.15 COC(=N)C1=CC=CC=C1 BB31-6235 [0,0,0,0,2,0|2,0,0]=4 113 B14R1.716 COC(=O)CCCCC1=CC=CC=C1 BB31-3851 [0,0,0,0,0,2|2,0,0]=4