0 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 SY015679 [0,0,0,0,0,0|1,0,1]=2 1 B14R1.818 O=C(O)CC(=O)OCC1=CC=CC=C1 SY259398 [0,0,0,0,0,0|2,0,1]=3 2 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 SY192902 [1,0,0,0,0,0|1,0,0]=2 3 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 SY010778 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 SY013603 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.42 CCOC(=O)CCC1=CC=CN=C1 SY022460 [1,0,0,0,0,0|3,0,0]=4 6 B13R1.42 CCOC(=O)CCC1=CC=NC=C1 SY022459 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.42 CCOC(=O)CCC1=NC=CC=C1 SY022461 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 SY049148 [1,0,0,0,0,0|3,0,0]=4 9 B13R1.42 CCOC(=O)COC1=CC=CC=C1 SY017862 [1,0,0,0,0,0|3,0,0]=4 10 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 SY005492 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.42 O=C(CCF)OCC1=CC=CC=C1 SY017432 [1,0,0,0,0,0|1,0,0]=2 12 B13R1.42 O=C(CCO)OCC1=CC=CC=C1 SY017868 [1,0,0,0,0,0|1,0,0]=2 13 B13R1.42 [C-]#[N+]CC(=O)OCC1=CC=CC=C1 SY249703 [1,0,0,0,0,0|1,0,1]=3 14 B15R1.741 COC(=O)CC(=O)OCC1=CC=CC=C1 SY047273 [0,1,0,0,0,0|1,0,1]=3 15 B15R1.741 C[C@@H](CO)NC(=O)OCC1=CC=CC=C1 SY038505 [0,1,0,0,0,0|1,0,0]=2 16 B15R1.741 C[C@H](CO)NC(=O)OCC1=CC=CC=C1 SY027496 [0,1,0,0,0,0|1,0,0]=2 17 B15R1.3465 CC(C)(C)OC(=O)COC1=CC=CC=C1 SY265377 [0,1,0,0,0,0|3,0,0]=4 18 B15R1.3465 CC(C)(C)OC(=O)NCC1=CC=CC=N1 SY003873 [0,1,0,0,0,0|3,0,0]=4 19 B15R1.3678 CC(C)[C@H](N)C(=O)OCC1=CC=CC=C1 SY033670 [0,1,0,0,0,0|0,0,0]=1 20 B15R1.3678 C[C@@H](O)[C@H](N)C(=O)OCC1=CC=CC=C1 SY120978 [0,1,0,0,0,0|1,0,0]=2 21 B15R2.27 O=C1CC(=O)CC(C2=CC=CC=C2)C1 SY078762 [0,0,0,1,0,0|2,0,1]=4 22 B15R2.27 O=C1CC(=O)NC(C2=CC=CC=C2)C1 SY002494 [0,0,0,1,0,0|2,0,1]=4 23 B15R2.325 NC1CC(=O)N(CC2=CC=CC=C2)C1 SY024471 [0,0,0,1,0,0|2,0,0]=3 24 B15R2.505 C[C@H]1CN1C(=O)OCC2=CC=CC=C2 SY245345 [0,0,0,1,0,0|1,0,0]=2 25 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 SY273281 [0,0,0,0,1,0|2,0,1]=4 26 B13R1.351 C[C@@H](O)[C@@H](C)OCC1=CC=CC=C1 SY261830 [0,0,0,0,1,0|2,0,1]=4 27 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 SY029626 [0,0,0,0,1,0|1,0,0]=2 28 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 SY030492 [0,0,0,0,1,0|1,0,0]=2 29 B13R1.351 C[C@H](O)C(=O)OCC1=CC=CC=C1 SY059510 [0,0,0,0,1,0|1,0,0]=2 30 B13R1.351 O=C(Cl)C(=O)OCC1=CC=CC=C1 SY292158 [0,0,0,0,1,0|2,0,1]=4 31 B15R1.5919 CC(C)COC(=O)\C=C\C1=CC=CC=C1 SY015388 [0,0,0,0,0,1|1,0,1]=3 32 B15R1.5919 O=C(O)CCC(=O)OCC1=CC=CC=C1 SY022564 [0,0,0,0,0,1|2,0,1]=4 33 B15R1.5919 O=C(O)CNC(=O)OCC1=CC=CC=C1 SY006638 [0,0,0,0,0,1|2,0,1]=4 34 B15R1.9084 O=C(O)CC(=O)COCC1=CC=CC=C1 SY248351 [0,0,0,0,0,1|2,0,1]=4 35 B12R1.8 BrCCCOCC1=CC=CC=C1 SY013896 [2,0,0,0,0,0|1,0,1]=4 36 B12R1.8 OCCCOCC1=CC=CC=C1 SY015683 [2,0,0,0,0,0|1,0,1]=4 37 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 SY004327 [2,0,0,0,0,0|0,0,2]=4 38 B12R1.27 COC(=O)CCC1=CC=CC=C1 SY017877 [2,0,0,0,0,0|2,0,0]=4 39 B12R1.27 NCC(=O)OCC1=CC=CC=C1 SY021003 [2,0,0,0,0,0|1,0,0]=3 40 B12R1.27 NCC(=O)OCC1=CC=CC=C1 SY038933 [2,0,0,0,0,0|1,0,0]=3 41 B12R1.27 NNC(=O)OCC1=CC=CC=C1 SY017007 [2,0,0,0,0,0|2,0,0]=4 42 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 SY002918 [2,0,0,0,0,0|1,0,0]=3 43 B12R1.27 O=C(CO)OCC1=CC=CC=C1 SY115712 [2,0,0,0,0,0|1,0,0]=3 44 B12R1.27 O=C(NO)OCC1=CC=CC=C1 SY024162 [2,0,0,0,0,0|2,0,0]=4 45 B14R1.29 CCOC(=O)CC(C)C1=CC=CC=C1 SY249487 [1,1,0,0,0,0|2,0,0]=4 46 B14R1.29 CCOC(=O)N[C@@H](C)C1=CC=CC=C1 SY008014 [1,1,0,0,0,0|2,0,0]=4 47 B14R1.32 CCOC(=O)CCC1=CC=CC(N)=C1 SY030602 [1,1,0,0,0,0|2,0,0]=4 48 B14R1.60 CCOC(=O)C(=O)CC1=CC=CC=C1 SY265033 [1,1,0,0,0,0|2,0,0]=4 49 B14R1.60 CCOC(=O)C(N)CC1=CC=CC=C1 SY275019 [1,1,0,0,0,0|2,0,0]=4 50 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 SY066417 [1,1,0,0,0,0|2,0,0]=4 51 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 SY066848 [1,1,0,0,0,0|1,0,0]=3 52 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 SY102986 [1,1,0,0,0,0|1,0,0]=3 53 B14R1.156 O=C(CCCBr)OCC1=CC=CC=C1 SY105692 [1,1,0,0,0,0|0,0,0]=2 54 B14R1.156 O=C(NCCBr)OCC1=CC=CC=C1 SY008543 [1,1,0,0,0,0|1,0,0]=3 55 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 SY051387 [1,1,0,0,0,0|1,0,0]=3 56 B14R1.156 O=C=NCC(=O)OCC1=CC=CC=C1 SY249695 [1,1,0,0,0,0|1,0,1]=4 57 B14R1.156 O=CCNC(=O)OCC1=CC=CC=C1 SY280161 [1,1,0,0,0,0|1,0,1]=4 58 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 SY021681 [1,1,0,0,0,0|2,0,0]=4 59 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 SY043383 [1,1,0,0,0,0|2,0,0]=4 60 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 SY018459 [1,1,0,0,0,0|2,0,0]=4 61 B14R1.756 N#CC(N)C(=O)OCC1=CC=CC=C1 SY131076 [1,1,0,0,0,0|1,0,1]=4 62 B14R1.756 N[C@@H](CO)C(=O)OCC1=CC=CC=C1 SY030490 [1,1,0,0,0,0|1,0,0]=3 63 B14R1.756 N[C@H](CO)C(=O)NCC1=CC=CC=C1 SY265477 [1,1,0,0,0,0|2,0,0]=4 64 B14R1.756 N[C@H](CO)C(=O)OCC1=CC=CC=C1 SY066432 [1,1,0,0,0,0|1,0,0]=3 65 B14R1.756 N[C@H](CO)C(=O)OCC1=CC=CC=C1 SY308648 [1,1,0,0,0,0|1,0,0]=3 66 B14R1.433 CC(C)(C)OC(=O)OC1=CC=CC=C1 SY012265 [0,1,0,0,1,0|1,0,0]=3 67 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 SY005594 [0,1,0,0,1,0|1,0,1]=4 68 B14R1.3099 CC(C)(C)C(=O)CCC1=CC=CN=C1 SY004011 [0,1,0,0,1,0|2,0,0]=4 69 B14R1.3099 CC(C)(N)C(=O)OCC1=CC=CC=C1 SY253574 [0,1,0,0,1,0|0,0,0]=2 70 B14R1.3099 CC(C)(O)C(=O)OCC1=CC=CC=C1 SY018846 [0,1,0,0,1,0|0,0,0]=2 71 B16R1.1343 COC(=O)CNC(=O)OCC1=CC=CC=C1 SY033233 [0,1,0,0,0,1|1,0,1]=4 72 B16R1.1343 NCC(=O)NCC(=O)OCC1=CC=CC=C1 SY038316 [0,1,0,0,0,1|1,0,1]=4 73 B16R1.6944 CC(C)C[C@H](N)C(=O)OCC1=CC=CC=C1 SY033675 [0,1,0,0,0,1|0,0,0]=2 74 B16R1.12547 CC(C)(C)OC(=O)NOCC1=CC=CC=C1 SY037078 [0,1,0,0,0,1|1,0,0]=3 75 B16R1.7422 CC(C)(C)OC(=O)NCC1=CC=CC=C1Br SY018574 [0,2,0,0,0,0|2,0,0]=4 76 B16R1.7422 CC(C)(C)OC(=O)NCC1=CC=CC=C1O SY031532 [0,2,0,0,0,0|2,0,0]=4 77 B16R1.12572 CC(C)(C)OC(=O)[C@@H](N)CC1=CC=CC=C1 SY021500 [0,2,0,0,0,0|2,0,0]=4 78 B16R1.12572 CC(C)(C)OC(=O)[C@H](N)CC1=CC=CC=C1 SY030365 [0,2,0,0,0,0|2,0,0]=4 79 B16R1.7289 O=C(NC(CO)CO)OCC1=CC=CC=C1 SY004947 [0,2,0,0,0,0|1,0,0]=3 80 B16R1.1040 CC(C)(C)OC(=O)NCC1=CC=C(Br)C=C1 SY083430 [0,2,0,0,0,0|2,0,0]=4 81 B16R1.1040 CC(C)(C)OC(=O)NCC1=CC=C(N)C=C1 SY027299 [0,2,0,0,0,0|2,0,0]=4 82 B16R1.1040 CC(C)(C)OC(=O)NCC1=CC=C(O)C=C1 SY044728 [0,2,0,0,0,0|2,0,0]=4 83 B16R1.11198 CC(C)(C)OC(=O)NCC1=CC=CC(Br)=C1 SY020980 [0,2,0,0,0,0|2,0,0]=4 84 B16R1.11198 CC(C)(C)OC(=O)NCC1=CC=CC(N)=C1 SY043063 [0,2,0,0,0,0|2,0,0]=4 85 B14R2.21 O=C1CC(C2=CC=CC=C2)CCN1 SY035301 [1,0,0,1,0,0|2,0,0]=4 86 B14R2.21 O=C1COCC(C2=CC=CC=C2)N1 SY030001 [1,0,0,1,0,0|2,0,0]=4 87 B14R2.21 O=C1COC[C@H](C2=CC=CC=C2)N1 SY207241 [1,0,0,1,0,0|2,0,0]=4 88 B14R2.30 O=C1CCCN1CC2=CC=CC=C2 SY019726 [1,0,0,1,0,0|1,0,0]=3 89 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 SY012059 [1,0,0,1,0,0|1,0,0]=3 90 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2=CC=CC=C2 SY012058 [1,0,0,1,0,0|1,0,0]=3 91 B14R2.3018 C1=CC=C(COCCC2CO2)C=C1 SY028858 [1,0,0,1,0,0|1,0,1]=4 92 B14R2.3018 C1=CC=C(COCC[C@@H]2CO2)C=C1 SY263579 [1,0,0,1,0,0|1,0,1]=4 93 B16R2.3322 NC1CN(C(=O)OCC2=CC=CC=C2)C1 SY042012 [0,0,0,1,0,1|1,0,0]=3 94 B16R2.3322 O=C(OCC1=CC=CC=C1)N2CC(Br)C2 SY097069 [0,0,0,1,0,1|1,0,0]=3 95 B16R2.3322 O=C(OCC1=CC=CC=C1)N2CC(O)C2 SY018172 [0,0,0,1,0,1|1,0,0]=3 96 B16R2.3322 O=C1CC(C(=O)OCC2=CC=CC=C2)C1 SY011053 [0,0,0,1,0,1|1,0,1]=4 97 B16R2.3322 O=C1CN(C(=O)OCC2=CC=CC=C2)C1 SY020133 [0,0,0,1,0,1|1,0,1]=4 98 B16R2.3322 O=C1C[C@@H](C(=O)OCC2=CC=CC=C2)N1 SY096980 [0,0,0,1,0,1|1,0,1]=4 99 B16R2.2822 CC1CC(=O)CN(CC2=CC=CC=C2)C1 SY128842 [0,0,0,1,0,1|1,0,0]=3 100 B16R2.312 NC1CCN(CC2=CC=CC=C2)C(=O)C1 SY026427 [0,1,0,1,0,0|2,0,0]=4 101 B16R2.296 C[C@H]1CCN1C(=O)OCC2=CC=CC=C2 SY257757 [0,1,0,1,0,0|1,0,0]=3 102 B16R2.2400 O=C1CC(CO)CN1CC2=CC=CC=C2 SY030075 [0,1,0,1,0,0|1,0,0]=3 103 B16R2.44148 O=C(NC1CNC1)OCC2=CC=CC=C2 SY042094 [0,1,0,1,0,0|1,0,0]=3 104 B16R2.2991 CC(C)C1C(=O)CCC2=C1C=CC(F)=C2 SY116213 [0,1,0,1,0,0|1,0,0]=3 105 B16R2.2991 CC(C)[C@@H]1C(=O)CCC2=C1C=CC(F)=C2 SY123874 [0,1,0,1,0,0|1,0,0]=3 106 B12R1.32 CCOC(=O)CC1=CC=CN=C1 SY021549 [1,0,0,0,1,0|2,0,0]=4 107 B12R1.32 CCOC(=O)CC1=CC=NC=C1 SY011574 [1,0,0,0,1,0|2,0,0]=4 108 B12R1.32 CCOC(=O)CC1=NC=CC=C1 SY001136 [1,0,0,0,1,0|2,0,0]=4 109 B12R1.32 COCC(=O)OC1=CC=CC=C1 SY261726 [1,0,0,0,1,0|1,0,0]=3 110 B12R1.252 CC(=O)COCC1=CC=CC=C1 SY107427 [1,0,0,0,1,0|1,0,1]=4 111 B12R1.252 CC(O)COCC1=CC=CC=C1 SY115719 [1,0,0,0,1,0|1,0,0]=3 112 B12R1.252 C[C@@H](O)CNCC1=CC=CC=C1 SY046157 [1,0,0,0,1,0|2,0,0]=4 113 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 SY226247 [1,0,0,0,1,0|1,0,0]=3 114 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 SY059957 [1,0,0,0,1,0|1,0,0]=3 115 B12R1.43 CC(N)C(=O)CC1=CC=CC=C1 SY147169 [0,0,0,0,2,0|1,0,0]=3 116 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 SY011141 [0,0,0,0,2,0|1,0,1]=4 117 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 SY021454 [1,0,0,0,0,1|1,0,0]=3 118 B14R1.520 N#CCC(=O)COCC1=CC=CC=C1 SY273320 [1,0,0,0,0,1|1,0,1]=4 119 B16R1.608 CC(=O)CCNC(=O)OCC1=CC=CC=C1 SY041215 [0,0,0,0,0,2|1,0,1]=4