0 B13R1.718 CCC(=O)COCC1=CC=CC=C1 B54766 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.718 COC(=O)CCNC1=CC=CC=C1 M52952 [0,0,0,0,0,0|1,0,0]=1 2 B13R1.718 COC(=O)CNCC1=CC=CC=C1 M52944 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.8 CCCCCCC1=CC=NC=C1 H54975 [1,0,0,0,0,0|2,0,1]=4 4 B12R1.252 CC(=O)COCC1=CC=CC=C1 B22478 [1,0,0,0,0,0|1,0,0]=2 5 B12R1.252 CN(C)CCOC1=CC=CC=C1 D53142 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 B37631 [1,0,0,0,0,0|1,0,2]=4 7 B12R1.252 O=C(O)CCCC1=NC=CC=C1 P50052 [1,0,0,0,0,0|1,0,0]=2 8 B12R1.252 O=C(O)CCNC1=CC=CC=C1 P50051 [1,0,0,0,0,0|1,0,0]=2 9 B12R1.252 O=C(O)COCC1=CC=CC=C1 B67512 [1,0,0,0,0,0|1,0,0]=2 10 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 M67740 [0,1,0,0,0,0|0,0,0]=1 11 B14R1.520 CCOC(=O)CCNC1=NC=CC=C1 E53049 [0,1,0,0,0,0|2,0,0]=3 12 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 E65599 [0,1,0,0,0,0|1,0,0]=2 13 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 E68308 [0,1,0,0,0,0|1,0,0]=2 14 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 E54787 [0,1,0,0,0,0|1,0,0]=2 15 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 E54861 [0,1,0,0,0,0|1,0,0]=2 16 B14R1.546 COC(COCC1=CC=CC=C1)OC B54962 [0,1,0,0,0,0|1,0,2]=4 17 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 M54573 [0,1,0,0,0,0|0,0,1]=2 18 B14R1.756 COC(=O)C(=O)C=CC1=CC=CC=C1 M54350 [0,1,0,0,0,0|0,0,3]=4 19 B14R1.756 COC(=O)[C@@H](C)OCC1=CC=CC=C1 M67097 [0,1,0,0,0,0|1,0,0]=2 20 B14R1.837 COC(=O)CCCC1=C(O)C=CC=C1 M54799 [0,1,0,0,0,0|0,0,0]=1 21 B14R2.19 O=C1C=C(SC2=CC=CC=C2)CO1 P5649 [0,0,0,1,0,0|1,0,2]=4 22 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 B6949 [0,0,0,1,0,0|2,0,0]=3 23 B14R2.19 O=C1C[C@H](CC2=CC=CC=C2)CO1 B54554 [0,0,0,1,0,0|0,0,0]=1 24 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B27980 [0,0,0,1,0,0|1,0,0]=2 25 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CS1 B52611 [0,0,0,1,0,0|1,2,0]=4 26 B14R2.31 O=C1CC[C@@H]1OCC2=CC=CC=C2 B13430 [0,0,0,1,0,0|2,0,0]=3 27 B14R2.68 C[C@H]1CN[C@@H](C2=CC=CC=C2)CO1 M55498 [0,0,0,1,0,0|2,0,1]=4 28 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 P39676 [0,0,0,1,0,0|1,0,0]=2 29 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 P54629 [0,0,0,1,0,0|2,0,0]=3 30 B14R2.68 O=C1CCN(C2=CC=NC=C2)CC1 P52686 [0,0,0,1,0,0|3,0,0]=4 31 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 P19914 [0,0,0,1,0,0|1,0,0]=2 32 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 P54109 [0,0,0,1,0,0|1,0,0]=2 33 B14R2.68 O=C1COC(C2=CC=CC=C2)OC1 P52455 [0,0,0,1,0,0|3,0,0]=4 34 B14R2.95 COC(=O)C1=CNC2=C1C=CC=C2 M26715 [0,0,0,1,0,0|1,0,2]=4 35 B14R2.95 COC(=O)C1=NNC2=C1C=CC=C2 M1830 [0,0,0,1,0,0|2,0,1]=4 36 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 B52541 [0,0,0,0,1,0|2,0,1]=4 37 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 B52417 [0,0,0,0,1,0|2,0,1]=4 38 B12R1.27 COC(=O)C#CC1=CC=CC=C1 M53792 [0,0,0,0,1,0|0,0,2]=3 39 B12R1.27 COC(=O)CCC1=CC=CC=C1 M39604 [0,0,0,0,1,0|0,0,0]=1 40 B12R1.27 COC(=O)COC1=CC=CC=C1 M37813 [0,0,0,0,1,0|1,0,0]=2 41 B12R1.27 COC(=O)NCC1=CC=CC=C1 M50032 [0,0,0,0,1,0|1,0,0]=2 42 B12R1.27 NCC(=O)OCC1=CC=CC=C1 B67680 [0,0,0,0,1,0|3,0,0]=4 43 B12R1.27 NNC(=O)OCC1=CC=CC=C1 B68841 [0,0,0,0,1,0|3,0,0]=4 44 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 B52666 [0,0,0,0,1,0|2,0,0]=3 45 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 B68284 [0,0,0,0,1,0|3,0,0]=4 46 B12R1.27 O=C(CO)OCC1=CC=CC=C1 B22937 [0,0,0,0,1,0|3,0,0]=4 47 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 M54865 [0,0,0,0,0,1|0,0,0]=1 48 B14R1.716 COC(=O)CCOCC1=CC=CC=C1 M54788 [0,0,0,0,0,1|0,0,0]=1 49 B11R1.28 BrCCCCC1=CC=CC=C1 B52867 [2,0,0,0,0,0|1,0,1]=4 50 B11R1.28 C=CCOCC1=CC=CC=C1 A52780 [2,0,0,0,0,0|1,0,1]=4 51 B11R1.28 CCCCCC1=CC=CN=C1 P53110 [2,0,0,0,0,0|1,0,1]=4 52 B11R1.28 CCCCCC1=NC=CC=C1 P53109 [2,0,0,0,0,0|1,0,1]=4 53 B11R1.28 CCCNCC1=CC=CC=C1 B22211 [2,0,0,0,0,0|1,0,1]=4 54 B11R1.28 O=CCCOC1=CC=CC=C1 P49880 [2,0,0,0,0,0|1,0,0]=3 55 B11R1.28 O=CCOCC1=CC=CC=C1 B24494 [2,0,0,0,0,0|1,0,0]=3 56 B11R1.28 OCCCCC1=CC=CC=C1 P69087 [2,0,0,0,0,0|0,0,1]=3 57 B11R1.28 OCCCCC1=CC=NC=C1 P50342 [2,0,0,0,0,0|1,0,1]=4 58 B11R1.28 OCCCCC1=CN=CC=C1 P50341 [2,0,0,0,0,0|1,0,1]=4 59 B11R1.28 OCCCCC1=NC=CC=C1 P50340 [2,0,0,0,0,0|1,0,1]=4 60 B11R1.28 OCCOCC1=CC=CC=C1 B24595 [2,0,0,0,0,0|1,0,1]=4 61 B13R1.9 CCCCCCC1=CC=C(Br)C=C1 B56113 [1,1,0,0,0,0|1,0,1]=4 62 B13R1.9 CCCCCCC1=CC=C(N)C=C1 H56227 [1,1,0,0,0,0|1,0,1]=4 63 B13R1.45 C[C@@H](NCC(=O)O)C1=CC=CC=C1 P52966 [1,1,0,0,0,0|1,0,0]=3 64 B13R1.45 C[C@H](NCC(=O)O)C1=CC=CC=C1 P52967 [1,1,0,0,0,0|1,0,0]=3 65 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 A54160 [1,1,0,0,0,0|0,0,0]=2 66 B13R1.149 O=C(O)CCCC1=CC=CC(Br)=C1 B52614 [1,1,0,0,0,0|0,0,0]=2 67 B13R1.149 O=C(O)CCOC1=CC=CC(F)=C1 F51992 [1,1,0,0,0,0|1,0,0]=3 68 B13R1.158 O=C(O)CCCC1=C(F)C=CC=C1 F52641 [1,1,0,0,0,0|0,0,0]=2 69 B13R1.158 O=C(O)CCOC1=C(F)C=CC=C1 F51991 [1,1,0,0,0,0|1,0,0]=3 70 B13R1.158 O=C(O)C\C=C\C1=C(F)C=CC=C1 F65412 [1,1,0,0,0,0|0,0,2]=4 71 B13R1.351 C[C@@H](OCC1=CC=CC=C1)C(=O)O B67100 [1,1,0,0,0,0|1,0,0]=3 72 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O B52822 [1,1,0,0,0,0|1,0,0]=3 73 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O B65085 [1,1,0,0,0,0|1,0,0]=3 74 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O A38614 [1,1,0,0,0,0|0,0,0]=2 75 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O A61136 [1,1,0,0,0,0|1,0,0]=3 76 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 X52456 [1,1,0,0,0,0|0,0,1]=3 77 B13R1.351 O=C(O)[C@@H](Br)CCC1=CC=CC=C1 B65537 [1,1,0,0,0,0|0,0,0]=2 78 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 H52834 [1,1,0,0,0,0|0,0,0]=2 79 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 H61047 [1,1,0,0,0,0|0,0,0]=2 80 B13R1.513 CC1=CC=C(CCCC(=O)O)C=C1 P54767 [1,1,0,0,0,0|0,0,0]=2 81 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 A68979 [1,1,0,0,0,0|0,0,0]=2 82 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 B52615 [1,1,0,0,0,0|0,0,0]=2 83 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 C38697 [1,1,0,0,0,0|0,0,0]=2 84 B13R1.513 O=C(O)CCCC1=CC=C(I)C=C1 K52648 [1,1,0,0,0,0|0,0,0]=2 85 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 H69215 [1,1,0,0,0,0|0,0,0]=2 86 B13R1.513 O=C(O)CCNC1=CC=C(Br)C=C1 B49795 [1,1,0,0,0,0|1,0,0]=3 87 B13R1.3523 CS(=O)(=O)OCCC1=CC=CC=C1 P50302 [1,1,0,0,0,0|2,0,0]=4 88 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 M52457 [0,1,0,0,1,0|0,0,1]=3 89 B13R1.11 COC(=O)CC(=O)C1=CC=NC=C1 M51823 [0,1,0,0,1,0|1,0,1]=4 90 B13R1.11 COC(=O)CC(=O)C1=NC=CC=C1 M51824 [0,1,0,0,1,0|1,0,1]=4 91 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 M54166 [0,1,0,0,1,0|0,0,0]=2 92 B13R1.11 COC(=O)C[C@H](N)C1=NC=CC=C1 M52253 [0,1,0,0,1,0|1,0,0]=3 93 B13R1.14 COC(=O)C=CC1=CC=C(Br)C=C1 M53987 [0,1,0,0,1,0|0,0,2]=4 94 B13R1.14 COC(=O)C=CC1=CC=C(C)C=C1 M54553 [0,1,0,0,1,0|0,0,2]=4 95 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 M52626 [0,1,0,0,1,0|0,0,0]=2 96 B13R1.14 COC(=O)CCC1=CC=C(I)C=C1 M52652 [0,1,0,0,1,0|0,0,0]=2 97 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 M38944 [0,1,0,0,1,0|0,0,0]=2 98 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 M54163 [0,1,0,0,1,0|0,0,0]=2 99 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 M68976 [0,1,0,0,1,0|0,0,0]=2 100 B13R1.14 COC(=O)COC1=CC=C(Cl)C=C1 M51987 [0,1,0,0,1,0|1,0,0]=3 101 B13R1.15 COC(=O)CCC1=CC(O)=CC=C1 M52841 [0,1,0,0,1,0|0,0,0]=2 102 B13R1.15 COC(=O)CCC1=CC=CC(Br)=C1 M38076 [0,1,0,0,1,0|0,0,0]=2 103 B13R1.15 COC(=O)\C=C\C1=CC(N)=CC=C1 M52568 [0,1,0,0,1,0|0,0,2]=4 104 B13R1.135 CNC(=O)[C@H](N)CC1=CC=CC=C1 A53040 [0,1,0,0,1,0|1,0,0]=3 105 B13R1.135 COC(=O)[C@@H](Br)CC1=CC=CC=C1 M52623 [0,1,0,0,1,0|0,0,0]=2 106 B13R1.135 COC(=O)[C@@H](Cl)CC1=CC=CC=C1 M22031 [0,1,0,0,1,0|0,0,0]=2 107 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 M69265 [0,1,0,0,1,0|0,0,0]=2 108 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 M37251 [0,1,0,0,1,0|0,0,0]=2 109 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 M52845 [0,1,0,0,1,0|0,0,0]=2 110 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 M52844 [0,1,0,0,1,0|0,0,0]=2 111 B13R1.528 COC(=O)C=CC1=C(N)C=CC=C1 M52562 [0,1,0,0,1,0|0,0,2]=4 112 B13R1.528 COC(=O)CCC1=C(Br)C=CC=C1 M52625 [0,1,0,0,1,0|0,0,0]=2 113 B15R1.741 COC(=O)CC(=O)OCC1=CC=CC=C1 B54585 [0,1,0,0,0,1|0,0,1]=3 114 B15R1.778 CCOC(=O)CCNCC1=CC=CC=C1 E22546 [0,1,0,0,0,1|0,0,0]=2 115 B15R1.959 COC(=O)CCCC(=O)C1=CC=CC=C1 M55924 [0,1,0,0,0,1|0,0,0]=2 116 B15R1.11 CCOC(=O)CCCC1=CC=C(Br)C=C1 E37053 [0,2,0,0,0,0|0,0,0]=2 117 B15R1.112 CC(C)C(=O)NCCC1=CC=C(Br)C=C1 B56064 [0,2,0,0,0,0|2,0,0]=4 118 B15R1.132 COC(=O)CCC(=O)C1=CC=C(Br)C=C1 M54463 [0,2,0,0,0,0|0,0,1]=3 119 B15R1.206 COC(=O)CCCC1=CC=C(OC)C=C1 M56099 [0,2,0,0,0,0|0,0,0]=2 120 B15R1.1001 COC(=O)[C@@H](N)\C=C\C1=CC=C(F)C=C1 M55450 [0,2,0,0,0,0|0,0,2]=4 121 B15R1.1094 COC(=O)CNS(=O)(=O)C1=CC=CC=C1 P50114 [0,2,0,0,0,0|2,0,0]=4 122 B15R1.809 CCOC(=O)CC(=O)CC1=CC=CC=C1 E55926 [0,2,0,0,0,0|0,0,1]=3 123 B15R1.826 CCOC(=O)[C@@H](N)CCC1=CC=CC=C1 E67497 [0,2,0,0,0,0|0,0,0]=2 124 B15R1.826 CCOC(=O)[C@H](N)CCC1=CC=CC=C1 H56622 [0,2,0,0,0,0|0,0,0]=2 125 B15R1.826 CCOC(=O)[C@H](O)CCC1=CC=CC=C1 E68769 [0,2,0,0,0,0|0,0,0]=2 126 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 C68848 [1,0,0,1,0,0|1,0,1]=4 127 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 P28437 [1,0,0,1,0,0|2,0,0]=4 128 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 P13331 [1,0,0,1,0,0|1,0,1]=4 129 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 P52920 [1,0,0,1,0,0|1,0,1]=4 130 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 P23480 [1,0,0,1,0,0|1,0,1]=4 131 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 P23657 [1,0,0,1,0,0|1,0,1]=4 132 B13R2.3 C1=CC=C([C@H]2COCCN2)C=C1 P61270 [1,0,0,1,0,0|1,0,1]=4 133 B13R2.64 C1=CC=C(CN2CC=CC2)C=C1 B12263 [1,0,0,1,0,0|2,0,0]=4 134 B13R2.1613 CCC1=NCCC2=C1C=CC=C2 E54603 [1,0,0,1,0,0|2,0,0]=4 135 B13R2.2382 C1=CC=C(COC[C@@H]2CO2)C=C1 B52803 [1,0,0,1,0,0|1,0,1]=4 136 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 B37857 [1,0,0,1,0,0|1,0,1]=4 137 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 B52802 [1,0,0,1,0,0|1,0,1]=4 138 B13R2.2383 C1=CC=C(CNC2COC2)C=C1 B56557 [1,0,0,1,0,0|1,0,1]=4 139 B13R2.10 C[C@H]1CCC(C2=CC=CC=C2)N1 M30077 [1,0,0,1,0,0|1,0,1]=4 140 B13R2.10 O=C1CN=C(C2=CC=CC=C2)O1 P37550 [1,0,0,1,0,0|1,0,1]=4 141 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 P32385 [1,0,0,1,0,0|1,0,0]=3 142 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 P61078 [1,0,0,1,0,0|2,0,0]=4 143 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CS1 P11961 [1,0,0,1,0,0|2,0,0]=4 144 B13R2.31 O=C1CC(OC2=CC=CC=C2)C1 P13335 [1,0,0,1,0,0|1,0,0]=3 145 B13R2.72 CC(=O)N1CCC2=C1C=CC=C2 K52542 [1,0,0,1,0,0|1,0,0]=3 146 B13R2.72 O=C(O)[C@@H]1CCC2=C1C=CC=C2 K52427 [1,0,0,1,0,0|0,0,0]=2 147 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 K52237 [1,0,0,1,0,0|1,0,0]=3 148 B13R2.72 O=C(O)[C@H]1NCC2=C1C=CC=C2 K52238 [1,0,0,1,0,0|1,0,0]=3 149 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 D52553 [1,0,0,1,0,0|1,0,0]=3 150 B13R2.163 O=C1CCCC2=CC=CN=C2N1 D49730 [1,0,0,1,0,0|2,0,0]=4 151 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 P38188 [1,0,0,1,0,0|0,0,0]=2 152 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 P51791 [1,0,0,1,0,0|1,0,0]=3 153 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 P30012 [1,0,0,1,0,0|0,0,0]=2 154 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 P30011 [1,0,0,1,0,0|0,0,0]=2 155 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 D54551 [0,0,0,1,1,0|1,0,0]=3 156 B13R2.15272 COC(=O)[C@@H]1CC2=C1C=CC=C2 M52443 [0,0,0,1,1,0|0,0,0]=2 157 B15R2.4 COC(=O)CC1=NNC2=C1C=CC=C2 M52306 [0,0,0,1,0,1|1,0,1]=4 158 B15R2.29 BrC1=CCN(CC2=CC=CC=C2)CC1 B6207 [0,0,0,1,0,1|2,0,0]=4 159 B15R2.29 O=C1CCN(CC2=CC=CC=C2)CC1 B37824 [0,0,0,1,0,1|1,0,0]=3 160 B15R2.29 O=C1CCN(CC2=CC=NC=C2)CC1 P54699 [0,0,0,1,0,1|2,0,0]=4 161 B15R2.3 O=C1CCC(C2=CC=C(Br)C=C2)CC1 B55849 [0,1,0,1,0,0|1,0,0]=3 162 B15R2.3 O=C1CCC(C2=CC=C(Cl)C=C2)CC1 C38089 [0,1,0,1,0,0|1,0,0]=3 163 B15R2.3 O=C1CCC(C2=CC=C(O)C=C2)CC1 H55918 [0,1,0,1,0,0|1,0,0]=3 164 B15R2.98 NC1=CC=C(C[C@H]2COC(=O)N2)C=C1 A52696 [0,1,0,1,0,0|1,0,0]=3 165 B15R2.50022 CN1C(=O)CCCC2=C1C=C(N)C=C2 A14222 [0,1,0,1,0,0|1,0,0]=3 166 B15R2.96 C[C@@]1(C2=CC=CC=C2)C=CC(=O)CC1 M56880 [0,1,0,1,0,0|1,0,1]=4 167 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 B56595 [0,1,0,1,0,0|2,0,0]=4 168 B15R2.325 C[C@H]1CC(=O)CN1CC2=CC=CC=C2 B55973 [0,1,0,1,0,0|2,0,0]=4 169 B15R2.325 O=C1N[C@@H](CC2=CC=CC=C2)C(=O)O1 B53954 [0,1,0,1,0,0|1,0,1]=4 170 B15R2.325 O=C1N[C@@H](CC2=CC=CC=C2)C(=O)O1 P69617 [0,1,0,1,0,0|1,0,1]=4 171 B15R2.1342 CCOC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2 E30019 [0,1,0,1,0,0|0,0,0]=2 172 B15R2.1601 COC(=O)[C@@H]1CC2=C(C=CC=C2)CN1 M55465 [0,1,0,1,0,0|1,0,0]=3 173 B15R2.1601 COC(=O)[C@@H]1CC2=C(C=CC=C2)CN1 M55469 [0,1,0,1,0,0|1,0,0]=3 174 B15R2.1601 COC(=O)[C@@H]1COC2=C(C=CC=C2)O1 M52482 [0,1,0,1,0,0|1,0,0]=3 175 B15R2.1601 COC(=O)[C@H]1CC2=C(C=CC=C2)CN1 M55468 [0,1,0,1,0,0|1,0,0]=3 176 B15R2.15770 CN1C(=O)[C@@H](N)COC2=C1C=CC=C2 A61664 [0,1,0,1,0,0|2,0,0]=4 177 B15R2.308 O=C1CCC(C2=C(F)C=CC=C2)CC1 F36654 [0,1,0,1,0,0|1,0,0]=3 178 B15R2.28 O=C1CCC(C2=CC=CC(Cl)=C2)CC1 C55852 [0,1,0,1,0,0|1,0,0]=3 179 B15R2.28 O=C1CCC(C2=CC=CC(F)=C2)CC1 F32089 [0,1,0,1,0,0|1,0,0]=3 180 B15R2.63978 CN1C(=O)CCCC2=C1C=CC(N)=C2 A14223 [0,1,0,1,0,0|1,0,0]=3 181 B11R1.91 CC(=O)NNC1=CC=CC=C1 P69088 [1,0,0,0,1,0|2,0,0]=4 182 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 P68564 [1,0,0,0,1,0|0,0,2]=4 183 B11R1.91 NC(=O)CSC1=CC=CC=C1 P10024 [1,0,0,0,1,0|2,0,0]=4 184 B11R1.91 NC(=O)OCC1=CC=CC=C1 B37832 [1,0,0,0,1,0|2,0,0]=4 185 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 H52037 [1,0,0,0,1,0|1,0,0]=3 186 B11R1.91 O=C(O)C#CC1=CC=CC=C1 P67832 [1,0,0,0,1,0|0,0,2]=4 187 B11R1.91 O=C(O)CCC1=CN=NC=C1 P60455 [1,0,0,0,1,0|2,0,0]=4 188 B11R1.91 O=C(O)CCC1=NC=CC=C1 P49281 [1,0,0,0,1,0|1,0,0]=3 189 B11R1.91 O=C(O)CNC1=CC=CC=C1 P68874 [1,0,0,0,1,0|1,0,0]=3 190 B11R1.91 O=C(O)CNC1=CN=CC=C1 P46005 [1,0,0,0,1,0|2,0,0]=4 191 B11R1.91 O=C(O)COC1=CC=NC=C1 P45840 [1,0,0,0,1,0|2,0,0]=4 192 B11R1.91 O=C(O)COC1=CN=CC=C1 P45834 [1,0,0,0,1,0|2,0,0]=4 193 B11R1.91 O=C(O)CSC1=CC=NC=C1 P68840 [1,0,0,0,1,0|2,0,0]=4 194 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 C37831 [1,0,0,0,1,0|0,0,2]=4 195 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 N69452 [1,0,0,0,1,0|1,0,1]=4 196 B11R1.91 OB(O)CCC1=CC=CC=C1 P4926 [1,0,0,0,1,0|1,0,1]=4 197 B11R1.172 O=C(O)CCCC1=CC=CS1 T69302 [1,0,0,0,1,0|1,0,0]=3 198 B11R1.25 COC(=O)CCC1=CC=CN1 M32114 [0,0,0,0,2,0|1,0,0]=3 199 B11R1.40 CNC(=O)CC1=CN=CC=C1 M46657 [0,0,0,0,2,0|2,0,0]=4 200 B11R1.40 COC(=O)CC1=CC=NC=C1 M22906 [0,0,0,0,2,0|1,0,0]=3 201 B11R1.40 COC(=O)CC1=CN=CC=C1 M12485 [0,0,0,0,2,0|1,0,0]=3 202 B11R1.40 COC(=O)CC1=CN=NC=C1 M10235 [0,0,0,0,2,0|2,0,0]=4 203 B11R1.40 COC(=O)CC1=NC=CC=C1 M12486 [0,0,0,0,2,0|1,0,0]=3 204 B11R1.40 COC(=O)CC1=NC=CC=N1 M46001 [0,0,0,0,2,0|2,0,0]=4 205 B11R1.40 COC(=O)CC1=NC=CN=C1 M12293 [0,0,0,0,2,0|2,0,0]=4 206 B11R1.40 COC(=O)CC1=NC=NC=C1 M12914 [0,0,0,0,2,0|2,0,0]=4 207 B11R1.40 COC(=O)CC1=NN=CC=C1 M10253 [0,0,0,0,2,0|2,0,0]=4 208 B11R1.40 COC(=O)OC1=CC=CC=C1 M37596 [0,0,0,0,2,0|1,0,0]=3