0 B9R1.6 CC(=O)[C@@H]1CNCCO1 90399 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.6 CC(C)C1CCNCC1 T72018 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.6 CN(C)[C@H]1CCCNC1 P19624 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.6 CN(C)[C@H]1CCCNC1 S11097 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.6 C[C@H](N)C1CCCCC1 N11990 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.6 C[C@H](N)C1CCOCC1 52485 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.6 C[C@H](N)C1CCOCC1 52508 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.6 C[C@H](N)C1CCOCC1 53162 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.6 C[C@H](O)C1CCNCC1 50851 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.6 C[C@H](O)C1CCOCC1 72533 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.6 C[C@H](O)C1CCOCC1 D96636 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.6 FC(F)C1CCNCC1 38478 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.6 FC(F)[C@H]1CCCNC1 S11388 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.6 N=C(N)C1CCOCC1 38314 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.6 N=C(N)C1CCOCC1 P11933 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.6 N=C(N)N1CCCCC1 W16161 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.6 N=C(N)N1CCOCC1 77296 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.6 N=C(N)N1CCSCC1 W16063 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.6 NC(=O)C1CCNCC1 C75011 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.6 NC(=O)[C@H]1CCCNC1 37191 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.6 NC(=O)[C@H]1CCCNC1 64553 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.6 NC(=O)[C@H]1CCCNC1 69862 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.6 O=C(O)C1=CCNCC1 30668 [0,0,0,0,0,0|1,0,2]=3 23 B9R1.6 O=C(O)C1CCSCC1 24425 [0,0,0,0,0,0|1,0,0]=1 24 B9R1.6 O=C(O)C1SCCCS1 W18220 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.6 O=C(O)[C@@H]1CCCCO1 P15808 [0,0,0,0,0,0|1,0,0]=1 26 B9R1.6 O=C(O)[C@@H]1CCCCO1 P16420 [0,0,0,0,0,0|1,0,0]=1 27 B9R1.6 O=C(O)[C@@H]1CNCCN1 P16892 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.6 O=C(O)[C@@H]1CNCCO1 77638 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.6 O=C(O)[C@@H]1CNCCO1 F18966 [0,0,0,0,0,0|2,0,0]=2 30 B9R1.6 O=C(O)[C@@H]1CNCCO1 F19034 [0,0,0,0,0,0|2,0,0]=2 31 B9R1.6 O=C(O)[C@@H]1CNCCS1 F52105 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.6 O=C(O)[C@@H]1COCCN1 24948 [0,0,0,0,0,0|2,0,0]=2 33 B9R1.6 O=C(O)[C@@H]1COCCN1 70235 [0,0,0,0,0,0|2,0,0]=2 34 B9R1.6 O=C(O)[C@@H]1COCCN1 70713 [0,0,0,0,0,0|2,0,0]=2 35 B9R1.6 O=C(O)[C@@H]1COCCO1 F31034 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.6 O=C(O)[C@@H]1COCCO1 F31049 [0,0,0,0,0,0|2,0,0]=2 37 B9R1.6 O=C(O)[C@@H]1CSCCN1 66696 [0,0,0,0,0,0|2,0,0]=2 38 B9R1.6 O=C(O)[C@@H]1CSCCN1 77693 [0,0,0,0,0,0|2,0,0]=2 39 B9R1.6 O=C(O)[C@H]1CCCSC1 37673 [0,0,0,0,0,0|1,0,0]=1 40 B9R1.6 O=C(O)[C@H]1NCCCS1 C76501 [0,0,0,0,0,0|2,0,0]=2 41 B9R1.6 O=[N+]([O-])C1CCNCC1 P21112 [0,0,0,0,0,0|2,0,1]=3 42 B8R1.2 BrC[C@H]1CCCNC1 AC3913 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.2 BrC[C@H]1CCCOC1 38662 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.2 C#CC1CCNCC1 P12507 [1,0,0,0,0,0|2,0,1]=4 45 B8R1.2 C#CC1CCOCC1 37550 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.2 C#C[C@@H]1CCCCN1 CS2055 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.2 C#C[C@H]1CCCNC1 P11150 [1,0,0,0,0,0|2,0,1]=4 48 B8R1.2 C#C[C@H]1CCCNC1 P11485 [1,0,0,0,0,0|2,0,1]=4 49 B8R1.2 CCC1CCNCC1 W10090 [1,0,0,0,0,0|2,0,1]=4 50 B8R1.2 CC[C@H]1CCCCN1 Y10457 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.2 CNC1CCNCC1 Y10435 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.2 CNC1CCSCC1 D93432 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.2 ClCC1CCNCC1 P17439 [1,0,0,0,0,0|2,0,1]=4 54 B8R1.2 ClCC1CCOCC1 C77585 [1,0,0,0,0,0|2,0,1]=4 55 B8R1.2 ClC[C@H]1CCCCN1 87776 [1,0,0,0,0,0|2,0,1]=4 56 B8R1.2 FCC1CCNCC1 F10330 [1,0,0,0,0,0|2,0,1]=4 57 B8R1.2 FC[C@H]1CCCNC1 24250 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.2 ICC1CCCCC1 AC1131 [1,0,0,0,0,0|1,0,1]=3 59 B8R1.2 IC[C@H]1CCCCO1 P19885 [1,0,0,0,0,0|2,0,1]=4 60 B8R1.2 IC[C@H]1CCCOC1 P20725 [1,0,0,0,0,0|2,0,1]=4 61 B8R1.2 N#CC1CCSCC1 29706 [1,0,0,0,0,0|2,0,1]=4 62 B8R1.2 N#CN1CCCCC1 A12086 [1,0,0,0,0,0|2,0,1]=4 63 B8R1.2 N#C[C@@H]1CCCCN1 CS1001 [1,0,0,0,0,0|2,0,1]=4 64 B8R1.2 N#C[C@@H]1CCCCN1 P16178 [1,0,0,0,0,0|2,0,1]=4 65 B8R1.2 N#C[C@@H]1CCCCN1 P17459 [1,0,0,0,0,0|2,0,1]=4 66 B8R1.2 N#C[C@@H]1CCCCN1 P17460 [1,0,0,0,0,0|2,0,1]=4 67 B8R1.2 N#C[C@@H]1CCCCO1 W16123 [1,0,0,0,0,0|2,0,1]=4 68 B8R1.2 N#C[C@H]1CCCNC1 81492 [1,0,0,0,0,0|2,0,1]=4 69 B8R1.2 N#C[C@H]1CCCNC1 81537 [1,0,0,0,0,0|2,0,1]=4 70 B8R1.2 N#C[C@H]1CCCNC1 P11046 [1,0,0,0,0,0|2,0,1]=4 71 B8R1.2 N#C[C@H]1CCCNC1 P18961 [1,0,0,0,0,0|2,0,1]=4 72 B8R1.2 NCC1CCSCC1 P11855 [1,0,0,0,0,0|2,0,1]=4 73 B8R1.2 NCC1CCSCC1 P17457 [1,0,0,0,0,0|2,0,1]=4 74 B8R1.2 NC[C@H]1CCCOC1 SC1491 [1,0,0,0,0,0|2,0,1]=4 75 B8R1.2 NNC1CCNCC1 BL010349 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.2 NNC1CCOCC1 F51905 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.2 NNC1CCSCC1 BL010348 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.2 NN[C@H]1CCCOC1 P17922 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.2 O=CN1CCCCC1 D77795 [1,0,0,0,0,0|1,0,0]=2 80 B8R1.2 O=C[C@@H]1CCCCN1 62054 [1,0,0,0,0,0|1,0,0]=2 81 B8R1.2 O=C[C@@H]1CCCCO1 79885 [1,0,0,0,0,0|1,0,0]=2 82 B8R1.2 O=C[C@@H]1COCCO1 D78647 [1,0,0,0,0,0|2,0,0]=3 83 B8R1.2 O=C[C@H]1CCCOC1 79874 [1,0,0,0,0,0|1,0,0]=2 84 B8R1.2 O=NN1CCOCC1 T72681 [1,0,0,0,0,0|3,0,0]=4 85 B8R1.2 OC[C@H]1CCCNC1 36372 [1,0,0,0,0,0|1,0,1]=3 86 B8R1.2 OC[C@H]1CCCNC1 F14592 [1,0,0,0,0,0|1,0,1]=3 87 B8R1.2 OC[C@H]1CCCNC1 H10949 [1,0,0,0,0,0|1,0,1]=3 88 B8R1.2 OC[C@H]1CCCOC1 38674 [1,0,0,0,0,0|1,0,1]=3 89 B8R1.2 OC[C@H]1CNCCN1 C14871 [1,0,0,0,0,0|2,0,1]=4 90 B8R1.2 OC[C@H]1CNCCN1 I11571 [1,0,0,0,0,0|2,0,1]=4 91 B8R1.2 OC[C@H]1CNCCO1 25692 [1,0,0,0,0,0|2,0,1]=4 92 B8R1.2 OC[C@H]1CNCCO1 SC3851 [1,0,0,0,0,0|2,0,1]=4 93 B8R1.2 OC[C@H]1COCCN1 25689 [1,0,0,0,0,0|2,0,1]=4 94 B8R1.2 OC[C@H]1COCCN1 26203 [1,0,0,0,0,0|2,0,1]=4 95 B8R1.2 OC[C@H]1COCCN1 P15853 [1,0,0,0,0,0|2,0,1]=4 96 B8R1.2 OC[C@H]1COCCO1 Y10090 [1,0,0,0,0,0|2,0,1]=4 97 B8R1.2 OC[C@H]1COCCO1 Y10091 [1,0,0,0,0,0|2,0,1]=4 98 B8R1.2 [C-]#[N+]C1CCOCC1 AC9405 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.13 C=C1CCN(C(C)=O)CC1 F20166 [0,1,0,0,0,0|2,0,1]=4 100 B10R1.13 CC(=O)N1CCC(Cl)CC1 C73926 [0,1,0,0,0,0|2,0,0]=3 101 B10R1.13 CC(=O)N1CCN(C)CC1 AB1017 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.13 CC(=O)N1CCN(C)CC1 Y10612 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.13 CC(=O)[C@@H]1CC=C(C)CC1 25854 [0,1,0,0,0,0|1,0,2]=4 104 B10R1.13 CC(C)[C@H]1CC[C@@H](O)CC1 D78896 [0,1,0,0,0,0|2,0,1]=4 105 B10R1.13 CC(C)[C@H]1CC[C@H](O)CC1 T71864 [0,1,0,0,0,0|2,0,1]=4 106 B10R1.13 CC1=CC[C@@H](C(=O)O)CC1 71380 [0,1,0,0,0,0|0,0,2]=3 107 B10R1.13 CC1CCC(C(=O)O)CN1 50062 [0,1,0,0,0,0|1,0,0]=2 108 B10R1.13 CC1CCC(C(=O)O)CN1 AT20796 [0,1,0,0,0,0|1,0,0]=2 109 B10R1.13 CC1COC(C(=O)O)CN1 F18937 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.13 CN(C)C1CCC(N)CC1 25878 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.13 CN(C)[C@H]1CC[C@@H](O)CC1 20906 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.13 CN(C)[C@H]1CC[C@H](O)CC1 20835 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.13 CN1CCC(C(N)=O)CC1 AB1540 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.13 CN1CCN(C(=O)O)CC1 D81033 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.13 C[C@@H]1CC=C(C(=O)O)CC1 D79048 [0,1,0,0,0,0|0,0,2]=3 116 B10R1.13 NC(=O)C1CCC(=O)CC1 S11473 [0,1,0,0,0,0|1,0,1]=3 117 B10R1.13 O=C(O)C1CCC(F)CC1 P15397 [0,1,0,0,0,0|0,0,0]=1 118 B10R1.13 O=C(O)C1CCC(O)CN1 F30864 [0,1,0,0,0,0|1,0,0]=2 119 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 86182 [0,1,0,0,0,0|1,0,0]=2 120 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 P14578 [0,1,0,0,0,0|1,0,0]=2 121 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 P15745 [0,1,0,0,0,0|1,0,0]=2 122 B10R1.13 O=C(O)[C@H]1CC[C@@H](F)CC1 P16645 [0,1,0,0,0,0|0,0,0]=1 123 B10R1.13 O=C(O)[C@H]1CC[C@H](F)CC1 P16816 [0,1,0,0,0,0|0,0,0]=1 124 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 66144 [0,1,0,0,0,0|1,0,1]=3 125 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 O11485 [0,1,0,0,0,0|2,0,1]=4 126 B10R1.15 C#C[C@@H](O)C1CCCCC1 79797 [0,1,0,0,0,0|1,0,1]=3 127 B10R1.15 CCC(=O)C1CCCCC1 F53827 [0,1,0,0,0,0|1,0,0]=2 128 B10R1.15 CC[C@H](N)C1CCCCC1 N10674 [0,1,0,0,0,0|2,0,1]=4 129 B10R1.15 CC[C@H](N)C1CCCCC1 O10192 [0,1,0,0,0,0|2,0,1]=4 130 B10R1.15 CNC(=O)[C@H]1CCCNC1 D75606 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.15 CNC(=O)[C@H]1CCCNC1 P12591 [0,1,0,0,0,0|2,0,0]=3 132 B10R1.15 CNC(=O)[C@H]1CCCNC1 P12592 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.15 CN[C@@H](C)C1CCCCC1 78566 [0,1,0,0,0,0|2,0,1]=4 134 B10R1.15 COC(=O)C1=CCCNC1 AC6481 [0,1,0,0,0,0|1,0,2]=4 135 B10R1.15 COC(=O)C1=CCNCC1 31667 [0,1,0,0,0,0|1,0,2]=4 136 B10R1.15 COC(=O)C1=CNCCC1 P15502 [0,1,0,0,0,0|1,0,2]=4 137 B10R1.15 COC(=O)C1CCSCC1 74108 [0,1,0,0,0,0|1,0,0]=2 138 B10R1.15 COC(=O)N1CCOCC1 AC6632 [0,1,0,0,0,0|2,0,0]=3 139 B10R1.15 COC(=O)[C@@H]1COCCN1 25784 [0,1,0,0,0,0|2,0,0]=3 140 B10R1.15 COC(=O)[C@@H]1COCCN1 31155 [0,1,0,0,0,0|2,0,0]=3 141 B10R1.15 COC(=O)[C@@H]1COCCN1 P10713 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.15 COC(=O)[C@H]1CCCNC1 P10578 [0,1,0,0,0,0|1,0,0]=2 143 B10R1.15 NCC(=O)N1CCCCC1 F21140 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.15 NNC(=O)[C@H]1CCCOC1 P12180 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.15 O=C(CBr)C1CCOCC1 P11188 [0,1,0,0,0,0|2,0,0]=3 146 B10R1.15 O=C(CBr)N1CCCCC1 S12026 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.15 O=C(CO)C1CCCCC1 D93099 [0,1,0,0,0,0|0,0,0]=1 148 B10R1.15 O=C(CO)N1CCOCC1 W10210 [0,1,0,0,0,0|2,0,0]=3 149 B10R1.28 CC(C)(O)C1CCCCC1 P15991 [0,1,0,0,0,0|1,0,1]=3 150 B10R1.28 CS(=O)(=O)[C@H]1CCCNC1 37183 [0,1,0,0,0,0|2,0,1]=4 151 B10R1.28 CS(=O)(=O)[C@H]1CCCNC1 P12012 [0,1,0,0,0,0|2,0,1]=4 152 B10R1.28 CS(=O)(=O)[C@H]1CCCNC1 P12013 [0,1,0,0,0,0|2,0,1]=4 153 B10R1.28 NS(=O)(=O)C1CCNCC1 D79205 [0,1,0,0,0,0|2,0,1]=4 154 B10R1.28 NS(=O)(=O)C1CCOCC1 C77565 [0,1,0,0,0,0|2,0,1]=4 155 B10R1.28 NS(=O)(=O)[C@H]1CCCNC1 D79850 [0,1,0,0,0,0|2,0,1]=4 156 B10R1.61 CC(=O)N1CCCCC1=O 50302 [0,1,0,0,0,0|2,0,1]=4 157 B10R1.61 CC(C)C1CCCCC1O C77548 [0,1,0,0,0,0|2,0,1]=4 158 B10R1.61 CC1CCNCC1C(=O)O 85195 [0,1,0,0,0,0|1,0,0]=2 159 B10R1.61 CC1CNCCC1C(=O)O P12933 [0,1,0,0,0,0|1,0,0]=2 160 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1N C15575 [0,1,0,0,0,0|3,0,0]=4 161 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1N F16515 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.61 CN1CCCC[C@H]1C(=O)O F14430 [0,1,0,0,0,0|1,0,0]=2 163 B10R1.61 CN1CCCC[C@H]1C(=O)O Y13554 [0,1,0,0,0,0|1,0,0]=2 164 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O W15763 [0,1,0,0,0,0|0,0,2]=3 165 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 20637 [0,1,0,0,0,0|0,0,0]=1 166 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O 20800 [0,1,0,0,0,0|0,0,0]=1 167 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O F12968 [0,1,0,0,0,0|0,0,0]=1 168 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O F53490 [0,1,0,0,0,0|0,0,0]=1 169 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O F12964 [0,1,0,0,0,0|0,0,0]=1 170 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O F18377 [0,1,0,0,0,0|0,0,0]=1 171 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O P20265 [0,1,0,0,0,0|0,0,0]=1 172 B10R1.61 N[C@H]1COCC[C@H]1C(=O)O 51259 [0,1,0,0,0,0|1,0,0]=2 173 B10R1.61 O=C([O-])[C@@H]1CCCCC1=O F11699 [0,1,0,0,0,0|0,0,2]=3 174 B10R1.113 CC(=O)N1CCCC(=O)C1 F13225 [0,1,0,0,0,0|2,0,1]=4 175 B10R1.113 CC(=O)N1CCN[C@@H](C)C1 C15558 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.113 CC(=O)N1CCN[C@@H](C)C1 W10102 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.113 CC1CCCC(C(=O)O)N1 CL3106 [0,1,0,0,0,0|1,0,0]=2 178 B10R1.113 CC1CNCC(C(=O)O)O1 F18917 [0,1,0,0,0,0|2,0,0]=3 179 B10R1.113 CN(C)C1CCCC(N)C1 T71430 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.113 CN1CCC=C(C(=O)O)C1 O10419 [0,1,0,0,0,0|1,0,2]=4 181 B10R1.113 CN1CCC[C@H](C(=O)O)C1 P15822 [0,1,0,0,0,0|1,0,0]=2 182 B10R1.113 CN1CCC[C@H](C(=O)O)C1 P15830 [0,1,0,0,0,0|1,0,0]=2 183 B10R1.113 CN1CCN[C@H](C(=O)O)C1 AB1537 [0,1,0,0,0,0|2,0,0]=3 184 B10R1.113 CN1CCO[C@H](C(=O)O)C1 F17614 [0,1,0,0,0,0|2,0,0]=3 185 B10R1.113 C[C@H]1CCN[C@H](C(=O)O)C1 49321 [0,1,0,0,0,0|1,0,0]=2 186 B10R1.113 C[C@H]1C[C@@H](C(=O)O)CCN1 D78964 [0,1,0,0,0,0|1,0,0]=2 187 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 O10019 [0,1,0,0,0,0|0,0,0]=1 188 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P14630 [0,1,0,0,0,0|0,0,0]=1 189 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P15156 [0,1,0,0,0,0|0,0,0]=1 190 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P18748 [0,1,0,0,0,0|0,0,0]=1 191 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P14344 [0,1,0,0,0,0|0,0,0]=1 192 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P14570 [0,1,0,0,0,0|0,0,0]=1 193 B10R1.113 O=C(O)C1CCCC(O)C1 F30240 [0,1,0,0,0,0|0,0,0]=1 194 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P17607 [0,1,0,0,0,0|0,0,0]=1 195 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P17608 [0,1,0,0,0,0|0,0,0]=1 196 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 P19688 [0,1,0,0,0,0|0,0,0]=1 197 B10R1.113 O=C(O)[C@H]1CCC[C@H](O)C1 P21100 [0,1,0,0,0,0|0,0,0]=1 198 B10R1.113 O=C1C=CC[C@H](C(=O)O)C1 F18279 [0,1,0,0,0,0|0,0,3]=4 199 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 D96696 [0,1,0,0,0,0|0,0,1]=2 200 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 D96697 [0,1,0,0,0,0|0,0,1]=2 201 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 F30241 [0,1,0,0,0,0|0,0,1]=2 202 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 F13748 [0,1,0,0,0,0|1,0,1]=3 203 B10R1.363 CC(=O)C1(C)CCCCC1 A11159 [0,1,0,0,0,0|1,0,0]=2 204 B10R1.363 CC(=O)C1(C)CCOCC1 P13993 [0,1,0,0,0,0|2,0,0]=3 205 B10R1.363 CC(C)C1(O)CCCCC1 D93300 [0,1,0,0,0,0|2,0,1]=4 206 B10R1.363 CC1(C(=O)Cl)CCCCC1 CS1017 [0,1,0,0,0,0|1,0,0]=2 207 B10R1.363 CC1(C(=O)O)CCNCC1 30932 [0,1,0,0,0,0|1,0,0]=2 208 B10R1.363 CC1(C(=O)O)CCSCC1 P12320 [0,1,0,0,0,0|1,0,0]=2 209 B10R1.363 C[C@@]1(C(=O)O)CC=CCC1 W11357 [0,1,0,0,0,0|0,0,2]=3 210 B10R1.363 C[C@@]1(C(=O)O)COCCN1 89609 [0,1,0,0,0,0|2,0,0]=3 211 B10R1.363 C[C@@]1(C(N)=O)CC=CCC1 W12043 [0,1,0,0,0,0|1,0,2]=4 212 B10R1.363 C[C@]1(C(=O)O)CCCNC1 38435 [0,1,0,0,0,0|1,0,0]=2 213 B10R1.363 C[C@]1(C(=O)O)CCCNC1 55571 [0,1,0,0,0,0|1,0,0]=2 214 B10R1.363 NC(=O)C1(N)CCCCC1 20713 [0,1,0,0,0,0|1,0,0]=2 215 B10R1.363 NC(=O)C1(N)CCOCC1 AB8079 [0,1,0,0,0,0|2,0,0]=3 216 B10R1.363 NC1(C(=O)O)CCSCC1 AC6055 [0,1,0,0,0,0|1,0,0]=2 217 B10R1.363 O=C(O)C1(F)CCCCC1 85750 [0,1,0,0,0,0|0,0,0]=1 218 B10R1.363 O=C(O)C1(F)CCOCC1 38681 [0,1,0,0,0,0|1,0,0]=2 219 B10R1.363 O=C(O)C1(O)CCNCC1 F30328 [0,1,0,0,0,0|1,0,0]=2 220 B8R0.7 C#CCOCCC(=O)O 78672 [0,0,1,0,0,0|1,0,2]=4 221 B8R0.7 COCCNCC(=O)O W16095 [0,0,1,0,0,0|2,0,0]=3 222 B8R0.7 NCCCCCC(=O)O P19609 [0,0,1,0,0,0|1,0,0]=2 223 B8R0.7 NCCCCCC(N)=O AC6029 [0,0,1,0,0,0|2,0,0]=3 224 B8R0.7 O=C([O-])CCCCCO Y14708 [0,0,1,0,0,0|1,0,1]=3 225 B8R0.8 C=CCC[C@H](N)C(=O)O F12088 [0,0,1,0,0,0|1,0,2]=4 226 B8R0.8 C=CCC[C@H](N)C(=O)O F15989 [0,0,1,0,0,0|1,0,2]=4 227 B8R0.8 CCCC[C@H](N)C(N)=O C77276 [0,0,1,0,0,0|2,0,0]=3 228 B8R0.8 CCCC[C@H](O)C(=O)O C11377 [0,0,1,0,0,0|1,0,0]=2 229 B8R0.8 C[Se]CC[C@H](N)C(=O)O F20529 [0,0,1,0,0,0|2,0,0]=3 230 B8R0.15 CCC[C@@H](CO)C(=O)O 62408 [0,0,1,0,0,0|1,0,0]=2 231 B8R0.15 CCC[C@H](CC)C(=O)O F19344 [0,0,1,0,0,0|0,0,0]=1 232 B10R2.61 O=C1OC2C=CCC1C2 N13104 [0,0,0,1,0,0|0,0,2]=3 233 B10R2.62 O=C1CC2CCC1CC2 91055 [0,0,0,1,0,0|1,0,0]=2 234 B10R2.62 O=C1CC2CCC1CN2 P14923 [0,0,0,1,0,0|2,0,0]=3 235 B10R2.62 O=C1NC2CCC1CC2 38593 [0,0,0,1,0,0|1,0,0]=2 236 B10R2.62 OC1CC2CCC1NC2 37779 [0,0,0,1,0,0|2,0,1]=4 237 B10R2.62 O[C@H]1CC2CCC1CC2 C73587 [0,0,0,1,0,0|1,0,1]=3 238 B10R2.351 NC(=O)[C@@H]1[C@H]2CNC[C@H]21 P17252 [0,0,0,1,0,0|2,0,0]=3 239 B10R2.351 O=C(O)C1C2CCOC21 P17384 [0,0,0,1,0,0|1,0,0]=2 240 B10R2.355 O=C(O)C1NCC2CC21 P16025 [0,0,0,1,0,0|1,0,0]=2 241 B10R2.357 NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1 54180 [0,0,0,1,0,0|2,0,0]=3 242 B10R2.357 NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1 D82603 [0,0,0,1,0,0|2,0,0]=3 243 B10R2.357 O=C(O)C1CC2CC2C1 38234 [0,0,0,1,0,0|0,0,0]=1 244 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 38337 [0,0,0,1,0,0|1,0,0]=2 245 B8R1.7 CC(=O)[C@H]1CCOC1 79964 [0,0,0,0,1,0|2,0,0]=3 246 B8R1.7 CC(=O)[C@H]1NCCS1 C73779 [0,0,0,0,1,0|3,0,0]=4 247 B8R1.7 C[C@H](N)C1CCCC1 66137 [0,0,0,0,1,0|2,0,1]=4 248 B8R1.7 C[C@H](N)C1CCCC1 83604 [0,0,0,0,1,0|2,0,1]=4 249 B8R1.7 N=C(N)[C@@H]1CCCN1 D72051 [0,0,0,0,1,0|3,0,0]=4 250 B8R1.7 N=C(N)[C@@H]1CCCO1 C75904 [0,0,0,0,1,0|3,0,0]=4 251 B8R1.7 NC(=O)N1CCCC1 32811 [0,0,0,0,1,0|2,0,0]=3 252 B8R1.7 NC(=O)[C@H]1CCNC1 31795 [0,0,0,0,1,0|2,0,0]=3 253 B8R1.7 NC(=O)[C@H]1CCNC1 37190 [0,0,0,0,1,0|2,0,0]=3 254 B8R1.7 NC(=O)[C@H]1CCOC1 39026 [0,0,0,0,1,0|2,0,0]=3 255 B8R1.7 O=C(Cl)[C@@H]1CCCO1 P19141 [0,0,0,0,1,0|2,0,0]=3 256 B8R1.7 O=C(O)[C@@H]1CCCN1 D77952 [0,0,0,0,1,0|1,0,0]=2 257 B8R1.7 O=C(O)[C@@H]1COCN1 A11387 [0,0,0,0,1,0|2,0,0]=3 258 B8R1.7 O=C(O)[C@@H]1COCN1 C73113 [0,0,0,0,1,0|2,0,0]=3 259 B8R1.7 O=C(O)[C@H]1CCNC1 65432 [0,0,0,0,1,0|1,0,0]=2 260 B8R1.7 O=C(O)[C@H]1CCNC1 P10866 [0,0,0,0,1,0|1,0,0]=2 261 B8R1.7 O=C(O)[C@H]1CCOC1 59930 [0,0,0,0,1,0|1,0,0]=2 262 B8R1.7 O=C(O)[C@H]1CCOC1 66517 [0,0,0,0,1,0|1,0,0]=2 263 B10R1.18 CC(=O)C=C1CCCCC1 W15953 [0,0,0,0,0,1|1,0,1]=3 264 B10R1.18 CC(=O)CC1CCCCC1 D84585 [0,0,0,0,0,1|1,0,0]=2 265 B10R1.18 CC(=O)NC1CCCCC1 A11899 [0,0,0,0,0,1|1,0,0]=2 266 B10R1.18 CC(=O)N[C@H]1CCCNC1 C77680 [0,0,0,0,0,1|2,0,0]=3 267 B10R1.18 CN(C)CC1CCCCC1 78298 [0,0,0,0,0,1|3,0,0]=4 268 B10R1.18 NC(=S)NC1CCCCC1 T70976 [0,0,0,0,0,1|1,1,0]=3 269 B10R1.18 O=C(Cl)CC1CCOCC1 78876 [0,0,0,0,0,1|2,0,0]=3 270 B10R1.18 O=C(O)C=C1CCNCC1 D71979 [0,0,0,0,0,1|1,0,1]=3 271 B10R1.18 O=C(O)CC1CCNCC1 20237 [0,0,0,0,0,1|1,0,0]=2 272 B10R1.18 O=C(O)C[C@H]1CCCCN1 AC1464 [0,0,0,0,0,1|1,0,0]=2 273 B10R1.18 O=C(O)C[C@H]1CCCNC1 56293 [0,0,0,0,0,1|1,0,0]=2 274 B10R1.18 O=C(O)C[C@H]1CCCNC1 56295 [0,0,0,0,0,1|1,0,0]=2 275 B10R1.18 O=C(O)C[C@H]1CNCCO1 77652 [0,0,0,0,0,1|2,0,0]=3 276 B10R1.18 O=C(O)C[C@H]1CNCCO1 A50778 [0,0,0,0,0,1|2,0,0]=3 277 B10R1.18 O=C(O)C[C@H]1COCCN1 26941 [0,0,0,0,0,1|2,0,0]=3 278 B10R1.18 OB(O)CC1CCCCC1 W17229 [0,0,0,0,0,1|1,0,1]=3 279 B10R1.18 OB(O)CC1CCOCC1 AC8805 [0,0,0,0,0,1|2,0,1]=4 280 B10R1.348 CC(=O)N1CCCNCC1 W19159 [0,0,0,0,0,1|2,0,0]=3 281 B10R1.348 CN(C)[C@H]1CCCCNC1 F17126 [0,0,0,0,0,1|3,0,0]=4 282 B10R1.348 N=C(N)C1CCCCCC1 A11705 [0,0,0,0,0,1|2,0,0]=3 283 B10R1.348 NC(=O)C1CCCCCC1 C72770 [0,0,0,0,0,1|1,0,0]=2 284 B10R1.348 O=C(Cl)C1CCCCCC1 D96414 [0,0,0,0,0,1|1,0,0]=2 285 B10R1.348 O=C(O)C1CCC=CCC1 C73071 [0,0,0,0,0,1|0,0,1]=2 286 B10R1.348 O=C(O)[C@@H]1CCCCCN1 I10217 [0,0,0,0,0,1|0,0,0]=1 287 B10R1.348 O=C(O)[C@H]1CCCCNC1 81143 [0,0,0,0,0,1|0,0,0]=1 288 B7R0.1 C=CCCCCNC R10008 [1,0,1,0,0,0|2,0,0]=4 289 B7R0.1 CCCNCCCO AB4057 [1,0,1,0,0,0|1,0,1]=4 290 B7R0.1 COCOCCC=O 32199 [1,0,1,0,0,0|2,0,0]=4 291 B7R0.4 CC(=O)CCCCBr O11558 [1,0,1,0,0,0|2,0,0]=4 292 B7R0.4 CCCOCC(=O)O AC1647 [1,0,1,0,0,0|1,0,0]=3 293 B7R0.4 CCNCCC(N)=O AT24732 [1,0,1,0,0,0|2,0,0]=4 294 B7R0.4 CNCCCC(N)=O 21232 [1,0,1,0,0,0|2,0,0]=4 295 B7R0.4 COCCCC(=O)O 78063 [1,0,1,0,0,0|1,0,0]=3 296 B7R0.4 NCCNCC(=O)O FD21628 [1,0,1,0,0,0|2,0,0]=4 297 B7R0.5 CCC[C@H](O)C(=O)O 77792 [1,0,1,0,0,0|1,0,0]=3 298 B7R0.5 CNC[C@H](N)C(=O)O N10392 [1,0,1,0,0,0|2,0,0]=4 299 B7R0.5 COC[C@H](Br)C(=O)O C76037 [1,0,1,0,0,0|2,0,0]=4 300 B7R0.5 COC[C@H](Cl)C(=O)O T70661 [1,0,1,0,0,0|2,0,0]=4 301 B7R0.5 C[Se]C[C@H](N)C(=O)O D95282 [1,0,1,0,0,0|2,0,0]=4 302 B7R0.5 NCC[C@H](F)C(=O)O D71941 [1,0,1,0,0,0|2,0,0]=4 303 B7R0.5 NCC[C@H](N)C(=O)O FD1070 [1,0,1,0,0,0|2,0,0]=4 304 B7R0.5 N[C@@H](CCS)C(=O)O C11384 [1,0,1,0,0,0|2,0,0]=4 305 B7R0.5 N[C@@H](CCS)C(=O)O I11579 [1,0,1,0,0,0|2,0,0]=4 306 B7R0.12 CCCC(CO)CO AB7729 [1,0,1,0,0,0|1,0,1]=4 307 B7R0.12 CCN[C@@H](CC)CO 29377 [1,0,1,0,0,0|1,0,1]=4 308 B7R0.15 CCN(CC)C(=O)Cl F20301 [1,0,1,0,0,0|2,0,0]=4 309 B7R0.15 CC[C@H](NC)C(=O)O W18322 [1,0,1,0,0,0|1,0,0]=3 310 B7R0.15 CC[C@H](OC)C(=O)O AC6372 [1,0,1,0,0,0|1,0,0]=3 311 B7R0.15 CN[C@@H](CO)C(=O)O F11106 [1,0,1,0,0,0|2,0,0]=4 312 B7R1.3 C=C1CCNCC1 88914 [2,0,0,0,0,0|1,0,1]=4 313 B7R1.3 C=C1CCOCC1 84295 [2,0,0,0,0,0|1,0,1]=4 314 B7R1.3 C[C@H]1CCCCN1 C73894 [2,0,0,0,0,0|1,0,1]=4 315 B7R1.3 C[C@H]1CCCNC1 36405 [2,0,0,0,0,0|1,0,1]=4 316 B7R1.3 F[C@H]1CCCNC1 37161 [2,0,0,0,0,0|2,0,0]=4 317 B7R1.3 F[C@H]1CCCNC1 37162 [2,0,0,0,0,0|2,0,0]=4 318 B7R1.3 N[C@H]1CCCNC1 C72133 [2,0,0,0,0,0|2,0,0]=4 319 B7R1.3 N[C@H]1CCCOC1 F10442 [2,0,0,0,0,0|2,0,0]=4 320 B7R1.3 O=C1CCCCS1 D95162 [2,0,0,0,0,0|1,0,1]=4 321 B7R1.3 O[C@@H]1CNCCO1 26254 [2,0,0,0,0,0|2,0,0]=4 322 B7R1.3 O[C@H]1CCCOC1 P10754 [2,0,0,0,0,0|1,0,0]=3 323 B7R1.3 O[C@H]1CCCOC1 P10755 [2,0,0,0,0,0|1,0,0]=3 324 B7R1.3 SC1CCNCC1 39018 [2,0,0,0,0,0|1,1,0]=4 325 B7R1.3 SC1CCOCC1 AT12453 [2,0,0,0,0,0|1,1,0]=4 326 B7R1.3 S[C@H]1CCCNC1 P11853 [2,0,0,0,0,0|1,1,0]=4 327 B9R0.2 C#CCCCCCC(=O)O AT11953 [0,1,1,0,0,0|0,0,1]=3 328 B9R0.2 C=CCCCCCC(=O)O I11997 [0,1,1,0,0,0|0,0,1]=3 329 B9R0.2 C=CCOCCCC(=O)O W18610 [0,1,1,0,0,0|0,0,2]=4 330 B9R0.2 CCCCCCCC(=O)[O-] F12023 [0,1,1,0,0,0|0,0,1]=3 331 B9R0.2 CCC\C=C/CCC(=O)O E70288 [0,1,1,0,0,0|0,0,1]=3 332 B9R0.2 COCCOCCC(=O)O C70448 [0,1,1,0,0,0|1,0,0]=3 333 B9R0.2 O=C(O)CNCCCCO 72467 [0,1,1,0,0,0|1,0,0]=3 334 B9R0.4 CCCC[C@H](C)OC(=O)Cl S11041 [0,1,1,0,0,0|2,0,0]=4 335 B9R0.4 CSCC[C@H](N)CC(=O)O F12355 [0,1,1,0,0,0|1,0,0]=3 336 B9R0.4 CSCC[C@H](N)CC(=O)O FD10029 [0,1,1,0,0,0|1,0,0]=3 337 B9R0.4 CSCC[C@H](N)CC(=O)O FD10030 [0,1,1,0,0,0|1,0,0]=3 338 B9R0.38 NCCCCCS(=O)(=O)O D93036 [0,1,1,0,0,0|2,0,0]=4 339 B9R0.46 CCCCCC[C@H](O)CBr D93070 [0,1,1,0,0,0|1,0,1]=4 340 B9R0.46 CCNCCCC(=O)OC 72977 [0,1,1,0,0,0|1,0,0]=3 341 B9R0.46 COC(=O)CSCCCCl W12305 [0,1,1,0,0,0|2,0,0]=4 342 B9R0.47 C=CCCC[C@H](N)C(=O)O F15996 [0,1,1,0,0,0|0,0,2]=4 343 B9R0.47 CCCCC[C@H](N)C(=O)O C10639 [0,1,1,0,0,0|0,0,0]=2 344 B9R0.47 CCCCC[C@H](N)C(=O)O C75217 [0,1,1,0,0,0|0,0,0]=2 345 B9R0.47 CCSCC[C@H](N)C(=O)O A12005 [0,1,1,0,0,0|1,0,0]=3 346 B9R0.47 NCCCC[C@H](N)C(=O)O F10821 [0,1,1,0,0,0|1,0,0]=3 347 B9R0.47 NCCSC[C@H](N)C(=O)O FD21310 [0,1,1,0,0,0|2,0,0]=4 348 B9R0.47 N[C@@H](CSCCO)C(=O)O AB10207 [0,1,1,0,0,0|2,0,0]=4 349 B9R0.55 CC(C)CCCCC(=O)O D95053 [0,1,1,0,0,0|0,0,0]=2 350 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O 42863 [0,1,1,0,0,0|2,0,0]=4 351 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O E70211 [0,1,1,0,0,0|2,0,0]=4 352 B9R0.13 CCCC[C@H](CC)C(=O)O 86085 [0,1,1,0,0,0|0,0,0]=2 353 B9R0.13 CCCC[C@H](CC)C(=O)O 86086 [0,1,1,0,0,0|0,0,0]=2 354 B9R0.42 COC(=O)C[C@H](C)C(=O)O C76592 [0,1,1,0,0,0|1,0,1]=4 355 B9R0.51 C=CCCC(C)(C)C(=O)O AC8558 [0,1,1,0,0,0|0,0,2]=4 356 B9R0.51 C[C@](N)(CCCN)C(=O)O F11646 [0,1,1,0,0,0|1,0,0]=3 357 B9R0.15 CCCC(CCC)C(=O)O C76453 [0,1,1,0,0,0|0,0,0]=2 358 B9R0.15 CCCC(CCC)C(N)=O A12328 [0,1,1,0,0,0|1,0,0]=3 359 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O FD21799 [0,1,1,0,0,0|1,0,0]=3 360 B9R0.33 CCCC(C(=O)O)C(=O)O O10851 [0,1,1,0,0,0|1,0,1]=4 361 B9R0.39 CC[C@H](NC(C)=O)C(=O)O 73327 [0,1,1,0,0,0|1,0,1]=4 362 B9R0.74 CCC[C@](C)(CC)C(=O)O 27935 [0,1,1,0,0,0|0,0,0]=2 363 B9R1.1 C=C1CCC(CO)CC1 F13032 [1,1,0,0,0,0|0,0,2]=4 364 B9R1.1 CC1CCC(CO)CN1 72671 [1,1,0,0,0,0|1,0,1]=4 365 B9R1.1 CC1CCC(CO)NC1 73032 [1,1,0,0,0,0|1,0,1]=4 366 B9R1.1 CC[C@H]1CC[C@H](O)CC1 F19617 [1,1,0,0,0,0|1,0,1]=4 367 B9R1.1 CNC1CCC(N)CC1 CS1725 [1,1,0,0,0,0|2,0,0]=4 368 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 38918 [1,1,0,0,0,0|2,0,0]=4 369 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 C77279 [1,1,0,0,0,0|2,0,0]=4 370 B9R1.1 CN[C@H]1CC[C@H](O)CC1 C77158 [1,1,0,0,0,0|2,0,0]=4 371 B9R1.1 COC1CCC(N)CC1 26413 [1,1,0,0,0,0|2,0,0]=4 372 B9R1.1 CO[C@H]1CC[C@@H](N)CC1 S11590 [1,1,0,0,0,0|2,0,0]=4 373 B9R1.1 CO[C@H]1CC[C@@H](N)CC1 S11591 [1,1,0,0,0,0|2,0,0]=4 374 B9R1.1 CO[C@H]1CC[C@H](N)CC1 S11822 [1,1,0,0,0,0|2,0,0]=4 375 B9R1.1 CO[C@H]1CC[C@H](O)CC1 D84292 [1,1,0,0,0,0|2,0,0]=4 376 B9R1.1 C[C@@H]1CC[C@H](CO)CN1 P15861 [1,1,0,0,0,0|1,0,1]=4 377 B9R1.1 N#CC1CCC(N)CC1 F52727 [1,1,0,0,0,0|1,0,1]=4 378 B9R1.1 N#CC1CCC(O)CC1 26849 [1,1,0,0,0,0|1,0,1]=4 379 B9R1.1 N#C[C@H]1CC[C@@H](N)CC1 AT13196 [1,1,0,0,0,0|1,0,1]=4 380 B9R1.1 N#C[C@H]1CC[C@H](N)CC1 AT13199 [1,1,0,0,0,0|1,0,1]=4 381 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 P14164 [1,1,0,0,0,0|1,0,1]=4 382 B9R1.1 NC[C@H]1CC[C@H](O)CC1 P14163 [1,1,0,0,0,0|1,0,1]=4 383 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 39277 [1,1,0,0,0,0|0,0,1]=3 384 B9R1.1 O=CC1CCC(=O)CC1 C77323 [1,1,0,0,0,0|0,0,1]=3 385 B9R1.1 OC[C@H]1CC[C@@H](O)CC1 P19128 [1,1,0,0,0,0|0,0,1]=3 386 B9R1.1 OC[C@H]1CC[C@H](O)CC1 T72373 [1,1,0,0,0,0|0,0,1]=3 387 B9R1.2 CO[C@H]1CCC[C@@H](N)C1 D96541 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.2 NC1CCOC(CO)C1 D79017 [1,1,0,0,0,0|1,0,1]=4 389 B9R1.2 N[C@H]1CCC[C@H](CO)C1 D79005 [1,1,0,0,0,0|0,0,1]=3 390 B9R1.2 O=C1CCC[C@H](CO)C1 Y10198 [1,1,0,0,0,0|0,0,2]=4 391 B9R1.2 OCC1CNCC(F)C1 72782 [1,1,0,0,0,0|1,0,1]=4 392 B9R1.8 CNCC1CCCCC1 F20557 [1,1,0,0,0,0|1,0,1]=4 393 B9R1.8 COC[C@H]1CCCCN1 39467 [1,1,0,0,0,0|1,0,1]=4 394 B9R1.8 COC[C@H]1CCCCN1 71896 [1,1,0,0,0,0|1,0,1]=4 395 B9R1.8 COC[C@H]1CCCNC1 F11112 [1,1,0,0,0,0|1,0,1]=4 396 B9R1.8 NCCC1CCCCC1 24486 [1,1,0,0,0,0|1,0,1]=4 397 B9R1.8 NCCC1CCCCC1 55664 [1,1,0,0,0,0|1,0,1]=4 398 B9R1.8 O=CCC1CCCCC1 11388 [1,1,0,0,0,0|0,0,0]=2 399 B9R1.8 OCCC1CCOCC1 62381 [1,1,0,0,0,0|1,0,1]=4 400 B9R1.8 OCC[C@H]1CCCCN1 62347 [1,1,0,0,0,0|1,0,1]=4 401 B9R1.8 OCC[C@H]1CCCCN1 88407 [1,1,0,0,0,0|1,0,1]=4 402 B9R1.8 OCC[C@H]1CCCCN1 F30243 [1,1,0,0,0,0|1,0,1]=4 403 B9R1.8 OCC[C@H]1CCCNC1 W17542 [1,1,0,0,0,0|1,0,1]=4 404 B9R1.15 CC1CCCCC1CN 72191 [1,1,0,0,0,0|1,0,1]=4 405 B9R1.15 CC1CCCNC1CO 72650 [1,1,0,0,0,0|1,0,1]=4 406 B9R1.15 CN1CCCC[C@@H]1CO O10154 [1,1,0,0,0,0|1,0,1]=4 407 B9R1.15 CN1CCCC[C@@H]1CO O10190 [1,1,0,0,0,0|1,0,1]=4 408 B9R1.15 CN[C@H]1CCCC[C@@H]1O D94629 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.15 COC1CCCCC1N O10822 [1,1,0,0,0,0|2,0,0]=4 410 B9R1.15 CO[C@H]1CCCC[C@@H]1N 89667 [1,1,0,0,0,0|2,0,0]=4 411 B9R1.15 CO[C@H]1CCCC[C@@H]1N P19687 [1,1,0,0,0,0|2,0,0]=4 412 B9R1.15 CO[C@H]1CCCC[C@H]1N D96624 [1,1,0,0,0,0|2,0,0]=4 413 B9R1.15 CO[C@H]1CCCC[C@H]1N P20243 [1,1,0,0,0,0|2,0,0]=4 414 B9R1.15 N[C@H]1CCCC[C@H]1CO P19621 [1,1,0,0,0,0|0,0,1]=3 415 B9R1.15 O=CC1=C(Br)CCCC1 AC9040 [1,1,0,0,0,0|0,0,2]=4 416 B9R1.15 O=CC1=C(Cl)CCCC1 31222 [1,1,0,0,0,0|0,0,2]=4 417 B9R1.15 OCC1CCNCC1O 72831 [1,1,0,0,0,0|1,0,1]=4 418 B9R1.15 OCC1CNCCC1O 73026 [1,1,0,0,0,0|1,0,1]=4 419 B9R1.15 OC[C@@H]1CCNC[C@@H]1F P14143 [1,1,0,0,0,0|1,0,1]=4 420 B9R1.118 C#CC1(C)CCCCC1 D82488 [1,1,0,0,0,0|1,0,1]=4 421 B9R1.118 CC1(C=O)CCOCC1 P15595 [1,1,0,0,0,0|1,0,0]=3 422 B9R1.118 CC1(CO)CCNCC1 26607 [1,1,0,0,0,0|1,0,1]=4 423 B9R1.118 CC1(CO)CCOCC1 31610 [1,1,0,0,0,0|1,0,1]=4 424 B9R1.118 CCC1(N)CCCCC1 21224 [1,1,0,0,0,0|1,0,1]=4 425 B9R1.118 C[C@]1(CO)CCCNC1 38434 [1,1,0,0,0,0|1,0,1]=4 426 B9R1.118 NC1(CO)CCNCC1 P19134 [1,1,0,0,0,0|1,0,1]=4 427 B9R1.118 NC1(CO)CCOCC1 30407 [1,1,0,0,0,0|1,0,1]=4 428 B9R1.118 NC1(CO)CCSCC1 AC1096 [1,1,0,0,0,0|1,0,1]=4 429 B9R1.118 NCC1(F)CCCCC1 85745 [1,1,0,0,0,0|1,0,1]=4 430 B9R1.118 O=NC1(Cl)CCCCC1 F15290 [1,1,0,0,0,0|1,0,0]=3 431 B9R1.118 OCC1(F)CCNCC1 37479 [1,1,0,0,0,0|1,0,1]=4 432 B9R1.118 OCC1(F)CCOCC1 38679 [1,1,0,0,0,0|1,0,1]=4 433 B9R1.118 OCC1(O)CCNCC1 37483 [1,1,0,0,0,0|1,0,1]=4 434 B9R1.118 OCC1(O)CCNCC1 70872 [1,1,0,0,0,0|1,0,1]=4 435 B9R1.118 OC[C@]1(O)CCCNC1 38750 [1,1,0,0,0,0|1,0,1]=4 436 B9R1.11 C#C[C@@H](O)C1CCCC1 AC1315 [0,1,0,0,1,0|1,0,1]=4 437 B9R1.11 CNC(=O)[C@@H]1CCCN1 C13792 [0,1,0,0,1,0|2,0,0]=4 438 B9R1.11 CNC(=O)[C@H]1CCNC1 C77874 [0,1,0,0,1,0|2,0,0]=4 439 B9R1.11 COC(=O)[C@@H]1CCCN1 D82335 [0,1,0,0,1,0|1,0,0]=3 440 B9R1.11 COC(=O)[C@H]1CCNC1 37185 [0,1,0,0,1,0|1,0,0]=3 441 B9R1.11 COC(=O)[C@H]1CCNC1 37186 [0,1,0,0,1,0|1,0,0]=3 442 B9R1.11 COC(=O)[C@H]1CCOC1 P12029 [0,1,0,0,1,0|1,0,0]=3 443 B9R1.11 COC(=O)[C@H]1CCOC1 P12030 [0,1,0,0,1,0|1,0,0]=3 444 B9R1.11 NCC(=O)N1CCCC1 W18110 [0,1,0,0,1,0|2,0,0]=4 445 B9R1.11 NNC(=O)[C@H]1CCOC1 28802 [0,1,0,0,1,0|2,0,0]=4 446 B9R1.11 O=C(CBr)C1CCCC1 P20314 [0,1,0,0,1,0|1,0,0]=3 447 B9R1.11 O=C(CO)N1CCCC1 W15877 [0,1,0,0,1,0|1,0,0]=3 448 B9R1.19 O=S(=O)(O)C1CCCC1 P15473 [0,1,0,0,1,0|1,0,0]=3 449 B9R1.35 CC(=O)N1CC[C@H](N)C1 AT25019 [0,1,0,0,1,0|2,0,0]=4 450 B9R1.35 CN1CC[C@H](C(=O)O)C1 38443 [0,1,0,0,1,0|1,0,0]=3 451 B9R1.35 CN1CC[C@H](C(=O)O)C1 P12609 [0,1,0,0,1,0|1,0,0]=3 452 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63832 [0,1,0,0,1,0|1,0,0]=3 453 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63834 [0,1,0,0,1,0|1,0,0]=3 454 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 D96519 [0,1,0,0,1,0|1,0,0]=3 455 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)O1 W10212 [0,1,0,0,1,0|1,0,0]=3 456 B9R1.35 NC(=O)[C@@H]1C[C@@H](F)CN1 D93157 [0,1,0,0,1,0|2,0,0]=4 457 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 77750 [0,1,0,0,1,0|0,0,2]=4 458 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 D76148 [0,1,0,0,1,0|0,0,2]=4 459 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 BL001270 [0,1,0,0,1,0|1,0,0]=3 460 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 72571 [0,1,0,0,1,0|0,0,0]=2 461 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 D87633 [0,1,0,0,1,0|0,0,0]=2 462 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 P13660 [0,1,0,0,1,0|0,0,0]=2 463 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 P16415 [0,1,0,0,1,0|0,0,0]=2 464 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 BL001269 [0,1,0,0,1,0|1,0,0]=3 465 B9R1.35 O=C(O)C1CCC(O)C1 D70618 [0,1,0,0,1,0|0,0,0]=2 466 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 37985 [0,1,0,0,1,0|1,0,0]=3 467 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 78342 [0,1,0,0,1,0|1,0,0]=3 468 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 P12517 [0,1,0,0,1,0|1,0,0]=3 469 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 P15651 [0,1,0,0,1,0|1,0,0]=3 470 B9R1.35 O=C1CN[C@H](C(=O)O)C1 P15402 [0,1,0,0,1,0|1,0,1]=4 471 B9R1.35 O=C1C[C@H](C(=O)O)CN1 P11664 [0,1,0,0,1,0|1,0,1]=4 472 B9R1.41 CN1CCC[C@H]1C(=O)O C74581 [0,1,0,0,1,0|1,0,0]=3 473 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N D81146 [0,1,0,0,1,0|1,0,0]=3 474 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O C74853 [0,1,0,0,1,0|0,0,0]=2 475 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O C76009 [0,1,0,0,1,0|0,0,0]=2 476 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O F19718 [0,1,0,0,1,0|0,0,0]=2 477 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13996 [0,1,0,0,1,0|0,0,0]=2 478 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O C10521 [0,1,0,0,1,0|0,0,0]=2 479 B9R1.41 O=C(O)C1CNCC1O 73173 [0,1,0,0,1,0|1,0,0]=3 480 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O 35596 [0,1,0,0,1,0|1,0,0]=3 481 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O 89327 [0,1,0,0,1,0|1,0,0]=3 482 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P14663 [0,1,0,0,1,0|1,0,0]=3 483 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P15465 [0,1,0,0,1,0|1,0,0]=3 484 B9R1.163 CC(=O)C1(O)CCCC1 AB1008 [0,1,0,0,1,0|1,0,0]=3 485 B9R1.163 CC1(C(=O)O)CCCC1 D78698 [0,1,0,0,1,0|0,0,0]=2 486 B9R1.163 C[C@@]1(C(N)=O)CCCN1 32506 [0,1,0,0,1,0|2,0,0]=4 487 B9R1.163 C[C@]1(C(=O)O)CCNC1 C14721 [0,1,0,0,1,0|1,0,0]=3 488 B9R1.163 C[C@]1(C(=O)O)CCNC1 D79549 [0,1,0,0,1,0|1,0,0]=3 489 B9R1.163 C[C@]1(C(=O)O)CCNC1 F13601 [0,1,0,0,1,0|1,0,0]=3 490 B9R1.163 C[C@]1(C(=O)O)CCOC1 38928 [0,1,0,0,1,0|1,0,0]=3 491 B9R1.163 N[C@@]1(C(=O)O)CCNC1 F19621 [0,1,0,0,1,0|1,0,0]=3 492 B9R1.163 N[C@@]1(C(=O)O)CCOC1 53168 [0,1,0,0,1,0|1,0,0]=3 493 B9R1.163 N[C@@]1(C(=O)O)CCOC1 77577 [0,1,0,0,1,0|1,0,0]=3 494 B9R1.163 N[C@@]1(C(=O)O)CCOC1 77578 [0,1,0,0,1,0|1,0,0]=3 495 B9R1.163 N[C@@]1(C(=O)O)CCSC1 20638 [0,1,0,0,1,0|1,0,0]=3 496 B9R1.163 O=C(O)C1(F)CCCC1 85749 [0,1,0,0,1,0|0,0,0]=2 497 B11R1.20 CC(=O)NC1CCC(O)CC1 AC9234 [0,1,0,0,0,1|1,0,0]=3 498 B11R1.20 CC1CCC(CC(=O)O)CC1 74030 [0,1,0,0,0,1|0,0,0]=2 499 B11R1.20 CC1CCN(CC(=O)O)CC1 A50525 [0,1,0,0,0,1|1,0,0]=3 500 B11R1.20 CN1CCC(CC(=O)O)CC1 28183 [0,1,0,0,0,1|1,0,0]=3 501 B11R1.20 N[C@H]1CC[C@H](CC(=O)O)CC1 91099 [0,1,0,0,0,1|0,0,0]=2 502 B11R1.20 O=C(O)CC1CCC(=O)CC1 AB7696 [0,1,0,0,0,1|0,0,1]=3 503 B11R1.20 O=C(O)CC1CCC(O)CC1 C10165 [0,1,0,0,0,1|0,0,0]=2 504 B11R1.20 O=C(O)CN1CCC(=O)CC1 W10202 [0,1,0,0,0,1|1,0,1]=4 505 B11R1.36 CC(=O)N(C)C1CCNCC1 20980 [0,1,0,0,0,1|2,0,0]=4 506 B11R1.36 CC(=O)N(C)[C@H]1CCCNC1 P12902 [0,1,0,0,0,1|2,0,0]=4 507 B11R1.36 CC(=O)N(C)[C@H]1CCCNC1 P16280 [0,1,0,0,0,1|2,0,0]=4 508 B11R1.36 C[C@@H](C(=O)O)N1CCOCC1 AC8937 [0,1,0,0,0,1|2,0,0]=4 509 B11R1.36 C[C@H](C(=O)O)C1CCCCC1 C75828 [0,1,0,0,0,1|0,0,0]=2 510 B11R1.36 NC(C(=O)O)C1CCCCN1 65570 [0,1,0,0,0,1|1,0,0]=3 511 B11R1.36 NC(C(=O)O)C1CCCOC1 67371 [0,1,0,0,0,1|1,0,0]=3 512 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 50748 [0,1,0,0,0,1|1,0,0]=3 513 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 69702 [0,1,0,0,0,1|1,0,0]=3 514 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 69703 [0,1,0,0,0,1|1,0,0]=3 515 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 Y10358 [0,1,0,0,0,1|1,0,0]=3 516 B11R1.40 CCC(=O)NC1CCCCC1 D93363 [0,1,0,0,0,1|1,0,0]=3 517 B11R1.40 COC(=O)CN1CCNCC1 20983 [0,1,0,0,0,1|2,0,0]=4 518 B11R1.40 COC(=O)C[C@H]1CCCNC1 64247 [0,1,0,0,0,1|1,0,0]=3 519 B11R1.40 COC(=O)C[C@H]1CCCNC1 64248 [0,1,0,0,0,1|1,0,0]=3 520 B11R1.40 COC(=O)C[C@H]1COCCN1 67400 [0,1,0,0,0,1|2,0,0]=4 521 B11R1.86 CN1CCCC[C@@H]1CC(=O)O 33486 [0,1,0,0,0,1|1,0,0]=3 522 B11R1.157 CC1CCCC(CC(=O)O)C1 C77600 [0,1,0,0,0,1|0,0,0]=2 523 B11R1.509 O=S(=O)(Cl)NC1CCCCC1 32192 [0,1,0,0,0,1|1,0,1]=4 524 B11R1.928 CC1(CC(=O)O)CCOCC1 D84903 [0,1,0,0,0,1|1,0,0]=3 525 B11R1.928 NC1(CC(=O)O)CCCCC1 25188 [0,1,0,0,0,1|0,0,0]=2 526 B11R1.928 NC1(CC(=O)O)CCCCC1 A50498 [0,1,0,0,0,1|0,0,0]=2 527 B11R1.565 CN1CCC[C@H](C(=O)O)CC1 63140 [0,1,0,0,0,1|0,0,0]=2 528 B11R1.565 O=C1CCC[C@H](C(=O)O)CC1 64810 [0,1,0,0,0,1|0,0,0]=2 529 B11R1.737 NC1(C(=O)O)CCCCCC1 29636 [0,1,0,0,0,1|0,0,0]=2 530 B11R1.852 COC(=O)C1CCCCCC1 70466 [0,1,0,0,0,1|0,0,0]=2 531 B11R1.852 COC(=O)N1CCCNCC1 72804 [0,1,0,0,0,1|1,0,0]=3 532 B11R1.852 COC(=O)[C@H]1CCCNCC1 P12663 [0,1,0,0,0,1|0,0,0]=2 533 B11R1.3 CC(=O)N1CCC(C=O)CC1 AB8006 [0,2,0,0,0,0|2,0,0]=4 534 B11R1.3 CC(=O)N1CCC(CBr)CC1 72177 [0,2,0,0,0,0|2,0,0]=4 535 B11R1.3 CN[C@H]1CC[C@@H](C(=O)O)CC1 W15261 [0,2,0,0,0,0|0,0,0]=2 536 B11R1.3 CO[C@H]1CC[C@@H](C(=O)O)CC1 P15709 [0,2,0,0,0,0|0,0,0]=2 537 B11R1.3 CO[C@H]1CC[C@H](C(=O)O)CC1 P12782 [0,2,0,0,0,0|0,0,0]=2 538 B11R1.3 N#C[C@H]1CC[C@H](C(=O)O)CC1 89391 [0,2,0,0,0,0|0,0,0]=2 539 B11R1.3 NCC1CCC(C(=O)O)CC1 T71247 [0,2,0,0,0,0|0,0,0]=2 540 B11R1.3 NC[C@H]1CC[C@@H](C(=O)O)CC1 P20836 [0,2,0,0,0,0|0,0,0]=2 541 B11R1.3 O=C(O)C1CCC(CO)CC1 D86447 [0,2,0,0,0,0|0,0,0]=2 542 B11R1.3 O=C(O)[C@H]1CC[C@@H](CO)CC1 T72885 [0,2,0,0,0,0|0,0,0]=2 543 B11R1.19 CC(C)(O)[C@H]1CC[C@@H](N)CC1 D79676 [0,2,0,0,0,0|1,0,1]=4 544 B11R1.19 CC(C)(O)[C@H]1CC[C@H](N)CC1 52185 [0,2,0,0,0,0|1,0,1]=4 545 B11R1.22 COC(=O)C1CCC(C)NC1 81271 [0,2,0,0,0,0|1,0,0]=3 546 B11R1.22 COC(=O)C1CCC(N)CC1 AB9595 [0,2,0,0,0,0|0,0,0]=2 547 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 A50883 [0,2,0,0,0,0|1,0,0]=3 548 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 P17412 [0,2,0,0,0,0|1,0,0]=3 549 B11R1.22 COC(=O)[C@H]1CC[C@@H](N)CC1 SC5021 [0,2,0,0,0,0|0,0,0]=2 550 B11R1.22 COC(=O)[C@H]1CC[C@H](C)NC1 73036 [0,2,0,0,0,0|1,0,0]=3 551 B11R1.22 COC(=O)[C@H]1CC[C@H](C)NC1 P18942 [0,2,0,0,0,0|1,0,0]=3 552 B11R1.22 O=C(CCl)N1CCC(O)CC1 W15997 [0,2,0,0,0,0|2,0,0]=4 553 B11R1.220 CN1CCC(F)(C(=O)O)CC1 P21136 [0,2,0,0,0,0|1,0,0]=3 554 B11R1.220 CN1CCC(N)(C(=O)O)CC1 A10139 [0,2,0,0,0,0|1,0,0]=3 555 B11R1.220 CN1CCC(N)(C(=O)O)CC1 AB3036 [0,2,0,0,0,0|1,0,0]=3 556 B11R1.727 CC(=O)C1CCS(=O)(=O)CC1 AT13040 [0,2,0,0,0,0|2,0,0]=4 557 B11R1.727 CC1(C)CCC(C(=O)O)CC1 W15975 [0,2,0,0,0,0|0,0,0]=2 558 B11R1.727 CC1(C)CCC(C(O)O)CC1 S11101 [0,2,0,0,0,0|0,0,2]=4 559 B11R1.727 CC1(C)CN[C@H](C(=O)O)CO1 60616 [0,2,0,0,0,0|2,0,0]=4 560 B11R1.727 O=C(O)[C@@H]1CCC(F)(F)CN1 38169 [0,2,0,0,0,0|1,0,0]=3 561 B11R1.7 CO[Si](C)(C)C1CCCCC1 A11396 [0,2,0,0,0,0|1,1,0]=4 562 B11R1.7 O=S(=O)(CCl)C1CCCCC1 71882 [0,2,0,0,0,0|1,0,1]=4 563 B11R1.16 CCOC(=O)[C@@H]1CCCCO1 S11652 [0,2,0,0,0,0|1,0,0]=3 564 B11R1.16 CCOC(=O)[C@@H]1CNCCO1 31686 [0,2,0,0,0,0|2,0,0]=4 565 B11R1.16 CCOC(=O)[C@@H]1CNCCS1 32555 [0,2,0,0,0,0|2,0,0]=4 566 B11R1.16 CCOC(=O)[C@@H]1CSCCN1 66701 [0,2,0,0,0,0|2,0,0]=4 567 B11R1.16 N#CCC(=O)C1CCOCC1 P12066 [0,2,0,0,0,0|2,0,0]=4 568 B11R1.16 O=C(OCCl)N1CCOCC1 F52722 [0,2,0,0,0,0|2,0,0]=4 569 B11R1.16 [C-]#[N+]CC(=O)N1CCCCC1 P20789 [0,2,0,0,0,0|2,0,0]=4 570 B11R1.23 COC(=O)C1CC(O)CCN1 C15611 [0,2,0,0,0,0|1,0,0]=3 571 B11R1.23 COC(=O)C1CCCC(O)C1 A10766 [0,2,0,0,0,0|0,0,0]=2 572 B11R1.23 COC(=O)C1CNCC(C)C1 CS2727 [0,2,0,0,0,0|1,0,0]=3 573 B11R1.23 COC(=O)C1CNCC(F)C1 92538 [0,2,0,0,0,0|1,0,0]=3 574 B11R1.23 COC(=O)[C@@H]1CCCC(=O)N1 72112 [0,2,0,0,0,0|1,0,1]=4 575 B11R1.23 COC(=O)[C@@H]1CCC[C@H](O)C1 P15151 [0,2,0,0,0,0|0,0,0]=2 576 B11R1.23 COC(=O)[C@@H]1CCC[C@H](O)C1 P17744 [0,2,0,0,0,0|0,0,0]=2 577 B11R1.23 COC(=O)[C@@H]1CCC[C@H](O)C1 P18936 [0,2,0,0,0,0|0,0,0]=2 578 B11R1.23 COC(=O)[C@@H]1C[C@@H](O)CCN1 W15863 [0,2,0,0,0,0|1,0,0]=3 579 B11R1.23 COC(=O)[C@@H]1C[C@H](O)CCN1 W15785 [0,2,0,0,0,0|1,0,0]=3 580 B11R1.23 COC(=O)[C@H]1CCCN(C)C1 AB1526 [0,2,0,0,0,0|1,0,0]=3 581 B11R1.23 COC(=O)[C@H]1CCC[C@H](N)C1 P19685 [0,2,0,0,0,0|0,0,0]=2 582 B11R1.23 COC(=O)[C@H]1CCC[C@H](N)C1 P20495 [0,2,0,0,0,0|0,0,0]=2 583 B11R1.23 COC(=O)[C@H]1CCC[C@H](O)C1 D79008 [0,2,0,0,0,0|0,0,0]=2 584 B11R1.23 COC(=O)[C@H]1CCC[C@H](O)C1 D79009 [0,2,0,0,0,0|0,0,0]=2 585 B11R1.23 COC(=O)[C@H]1CCN[C@@H](C)C1 38747 [0,2,0,0,0,0|1,0,0]=3 586 B11R1.23 COC(=O)[C@H]1CCN[C@@H](C)C1 P20451 [0,2,0,0,0,0|1,0,0]=3 587 B11R1.222 COC(=O)C1CCNCC1C P18679 [0,2,0,0,0,0|1,0,0]=3 588 B11R1.222 COC(=O)C1CNCCC1C 85191 [0,2,0,0,0,0|1,0,0]=3 589 B11R1.222 COC(=O)[C@@H]1CCCNC1=O A11870 [0,2,0,0,0,0|1,0,1]=4 590 B11R1.222 COC(=O)[C@@H]1CNCCN1C C15749 [0,2,0,0,0,0|2,0,0]=4 591 B11R1.222 COC(=O)[C@@H]1COCC[C@@H]1N P18320 [0,2,0,0,0,0|1,0,0]=3 592 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N AB11610 [0,2,0,0,0,0|0,0,0]=2 593 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N P16222 [0,2,0,0,0,0|0,0,0]=2 594 B11R1.222 COC(=O)[C@H]1CCNC[C@H]1C 60938 [0,2,0,0,0,0|1,0,0]=3 595 B11R1.222 COC(=O)[C@H]1CNCC[C@H]1C P16722 [0,2,0,0,0,0|1,0,0]=3 596 B11R1.878 CNC(=O)C1(N)CCOCC1 F53162 [0,2,0,0,0,0|2,0,0]=4 597 B11R1.878 COC(=O)C1(C)CCNCC1 39162 [0,2,0,0,0,0|1,0,0]=3 598 B11R1.878 COC(=O)C1(F)CCOCC1 38721 [0,2,0,0,0,0|1,0,0]=3 599 B11R1.878 COC(=O)C1(O)CCNCC1 F30327 [0,2,0,0,0,0|1,0,0]=3 600 B11R1.878 COC(=O)C1(O)CCNCC1 P17749 [0,2,0,0,0,0|1,0,0]=3 601 B11R1.878 COC(=O)[C@]1(C)CCCCN1 P16726 [0,2,0,0,0,0|1,0,0]=3 602 B11R1.878 COC(=O)[C@]1(C)COCCN1 84768 [0,2,0,0,0,0|2,0,0]=4 603 B11R1.177 CC1(C)SCCN[C@@H]1C(=O)O 38086 [0,2,0,0,0,0|2,0,0]=4 604 B11R1.177 O=C(O)[C@H]1CCCCC1(F)F W16640 [0,2,0,0,0,0|0,0,0]=2 605 B11R1.177 O=C(O)[C@H]1CCNCC1(F)F P14894 [0,2,0,0,0,0|1,0,0]=3 606 B11R1.74 CC1CC(C(=O)O)CC(C)O1 P19169 [0,2,0,0,0,0|1,0,0]=3 607 B11R1.74 C[C@@H]1C[C@H](C(=O)O)C[C@H](C)C1 P18307 [0,2,0,0,0,0|0,0,0]=2 608 B11R1.730 CC1(C)CCN[C@H](C(=O)O)C1 W18527 [0,2,0,0,0,0|1,0,0]=3 609 B11R1.730 O=C(O)[C@H]1CCCC(F)(F)C1 P19167 [0,2,0,0,0,0|0,0,0]=2 610 B11R1.1074 CC[C@@]1(C(=O)O)COCCN1 AC1773 [0,2,0,0,0,0|2,0,0]=4 611 B11R1.1074 COC1(C(=O)O)CCCCC1 D79224 [0,2,0,0,0,0|0,0,0]=2 612 B11R1.1074 COC1(C(=O)O)CCNCC1 P12341 [0,2,0,0,0,0|1,0,0]=3 613 B11R1.1074 N#CC1(C(=O)O)CCOCC1 59349 [0,2,0,0,0,0|1,0,0]=3 614 B11R1.1074 NCC1(C(=O)O)CCOCC1 51616 [0,2,0,0,0,0|1,0,0]=3 615 B11R1.1074 O=C(O)C1(CO)CCOCC1 A10605 [0,2,0,0,0,0|1,0,0]=3 616 B9R1.7 CCC[C@@H]1COC(=O)C1 S10720 [0,0,1,1,0,0|2,0,0]=4 617 B9R1.7 CCC[C@H]1CCC(=O)C1 A10517 [0,0,1,1,0,0|1,0,0]=3 618 B9R1.13 NC(=O)NC1CCCC1 W17339 [0,0,1,1,0,0|2,0,0]=4 619 B9R1.13 O=C(O)C[C@H]1CCCN1 70865 [0,0,1,1,0,0|1,0,0]=3 620 B9R1.13 O=C(O)C[C@H]1CCCN1 F11179 [0,0,1,1,0,0|1,0,0]=3 621 B9R1.13 O=C(O)C[C@H]1CCCN1 F12356 [0,0,1,1,0,0|1,0,0]=3 622 B9R1.13 O=C(O)C[C@H]1CCCN1 P10210 [0,0,1,1,0,0|1,0,0]=3 623 B9R1.13 O=C(O)C[C@H]1CCNC1 50100 [0,0,1,1,0,0|1,0,0]=3 624 B9R1.13 O=C(O)C[C@H]1CCNC1 P10779 [0,0,1,1,0,0|1,0,0]=3 625 B9R1.13 O=C(O)C[C@H]1CCOC1 68888 [0,0,1,1,0,0|1,0,0]=3 626 B9R1.13 O=C(O)C[C@H]1CCOC1 68890 [0,0,1,1,0,0|1,0,0]=3 627 B9R1.48 C[C@H]1CCCCC(=O)N1 W19298 [0,0,1,1,0,0|1,0,0]=3 628 B9R1.50 O=C1NCCCCCN1 W17640 [0,0,1,1,0,0|2,0,0]=4 629 B9R1.59 CCOC1CC1C(=O)O C77470 [0,0,1,1,0,0|1,0,0]=3 630 B9R1.84 O=C(O)CCC1CCC1 86885 [0,0,1,1,0,0|0,0,0]=2 631 B9R1.84 O=C(O)COC1CCC1 27934 [0,0,1,1,0,0|1,0,0]=3 632 B9R1.84 O=C(O)COC1CNC1 P19012 [0,0,1,1,0,0|2,0,0]=4 633 B9R1.84 O=C(O)\C=C\C1CCC1 F53092 [0,0,1,1,0,0|0,0,2]=4 634 B9R1.84 O=C([O-])CCN1CCC1 F50895 [0,0,1,1,0,0|1,0,1]=4 635 B9R1.86 CCC1CC1CC(=O)O D79896 [0,0,1,1,0,0|0,0,0]=2 636 B9R1.96 CCN1CC[C@H]1C(=O)O P15973 [0,0,1,1,0,0|1,0,0]=3 637 B9R1.96 N#CC1CCC1C(=O)O P15990 [0,0,1,1,0,0|1,0,1]=4 638 B9R1.5 C[C@@H]1NCCCNC1=O F50270 [0,0,1,1,0,0|2,0,0]=4 639 B9R1.5 C[C@@H]1NCCCNC1=O F50344 [0,0,1,1,0,0|2,0,0]=4 640 B9R1.5 C[C@H]1CCNCCC1=O 73013 [0,0,1,1,0,0|2,0,0]=4 641 B9R1.5 N[C@H]1CCCCNC1=O A56020 [0,0,1,1,0,0|2,0,0]=4 642 B9R1.23 CN1C[C@H](CO)OC1=O 56525 [0,0,1,1,0,0|2,0,0]=4 643 B9R1.23 CN1C[C@H](CO)OC1=O 56533 [0,0,1,1,0,0|2,0,0]=4 644 B9R1.69 CC1CCC(C)C(=O)C1 T71472 [0,0,1,1,0,0|1,0,0]=3 645 B9R1.95 CCC1CC(C(=O)O)C1 20648 [0,0,1,1,0,0|0,0,0]=2 646 B9R1.95 COC1CC(C(=O)O)C1 P10644 [0,0,1,1,0,0|1,0,0]=3 647 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 38899 [0,0,1,1,0,0|1,0,0]=3 648 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 38900 [0,0,1,1,0,0|1,0,0]=3 649 B9R1.95 NCC1CC(C(=O)O)C1 86804 [0,0,1,1,0,0|1,0,0]=3 650 B9R1.95 O=C(O)C1CC(CBr)C1 D79069 [0,0,1,1,0,0|1,0,0]=3 651 B9R1.95 O=C(O)C1CC(CF)C1 D97099 [0,0,1,1,0,0|1,0,0]=3 652 B9R1.95 O=C(O)C1CC(CO)C1 70868 [0,0,1,1,0,0|1,0,0]=3 653 B9R1.110 C[C@H](C(=O)O)C1CNC1 D96727 [0,0,1,1,0,0|1,0,0]=3 654 B9R1.110 N[C@H](C(=O)O)C1CCC1 67397 [0,0,1,1,0,0|1,0,0]=3 655 B9R1.110 N[C@H](C(=O)O)C1CCC1 67404 [0,0,1,1,0,0|1,0,0]=3 656 B9R1.110 N[C@H](C(=O)O)C1COC1 59698 [0,0,1,1,0,0|2,0,0]=4 657 B9R1.110 N[C@H](C(=O)O)C1COC1 CS3552 [0,0,1,1,0,0|2,0,0]=4 658 B9R1.112 NC(=O)[C@@H](N)CC1CC1 P18029 [0,0,1,1,0,0|2,0,0]=4 659 B9R1.112 N[C@@H](CC1CC1)C(=O)O 51303 [0,0,1,1,0,0|1,0,0]=3 660 B9R1.112 N[C@@H](CC1CC1)C(=O)O 67427 [0,0,1,1,0,0|1,0,0]=3 661 B9R1.33 NCCN1CCOC1=O C13660 [0,0,1,1,0,0|2,0,0]=4 662 B9R1.119 CCC1(C(=O)O)CCC1 72573 [0,0,1,1,0,0|0,0,0]=2 663 B9R1.119 CC[C@@]1(C(=O)O)CCO1 P18489 [0,0,1,1,0,0|1,0,0]=3 664 B9R1.119 COC1(C(=O)O)CNC1 38963 [0,0,1,1,0,0|2,0,0]=4 665 B9R1.119 N#CC1(C(=O)O)CCC1 P17752 [0,0,1,1,0,0|1,0,1]=4 666 B9R1.119 O=C(O)C1(CBr)COC1 W10206 [0,0,1,1,0,0|2,0,0]=4 667 B9R1.119 O=C(O)C1(CO)CCC1 F31332 [0,0,1,1,0,0|1,0,0]=3 668 B9R1.179 C=CCC1(C(=O)O)CC1 P17143 [0,0,1,1,0,0|0,0,2]=4 669 B9R1.179 CCOC1(C(=O)O)CC1 55707 [0,0,1,1,0,0|1,0,0]=3 670 B9R1.179 COCC1(C(=O)O)CC1 P15888 [0,0,1,1,0,0|1,0,0]=3 671 B9R1.179 NCCC1(C(=O)O)CC1 P15280 [0,0,1,1,0,0|1,0,0]=3 672 B9R1.179 NCCC1(C(=O)O)CC1 P16475 [0,0,1,1,0,0|1,0,0]=3 673 B9R1.179 O=C(O)C1(CCCl)CC1 P17144 [0,0,1,1,0,0|1,0,0]=3 674 B9R2.49 C1CC2CCC1CN2 20492 [1,0,0,1,0,0|1,0,1]=4 675 B9R2.49 C1CC2CCC1CN2 38592 [1,0,0,1,0,0|1,0,1]=4 676 B9R2.49 C1C[C@@H]2CN[C@H]1CO2 P14533 [1,0,0,1,0,0|1,0,1]=4 677 B9R2.53 OC1[C@@H]2CNC[C@H]1C2 D97015 [1,0,0,1,0,0|1,0,1]=4 678 B9R2.56 OCC12CNCC1C2 38677 [1,0,0,1,0,0|1,0,1]=4 679 B9R2.56 OCC12COCC1C2 D79110 [1,0,0,1,0,0|1,0,1]=4 680 B9R2.65 O=C[C@@H]1[C@H]2COC[C@H]21 P18294 [1,0,0,1,0,0|1,0,0]=3 681 B9R2.65 OCC1C2COCC12 69809 [1,0,0,1,0,0|1,0,1]=4 682 B9R2.65 OC[C@@H]1[C@@H]2COC[C@@H]21 P14535 [1,0,0,1,0,0|1,0,1]=4 683 B9R2.65 OC[C@@H]1[C@H]2CNC[C@H]21 37491 [1,0,0,1,0,0|1,0,1]=4 684 B9R2.65 OC[C@H]1[C@@H]2COC[C@H]12 37929 [1,0,0,1,0,0|1,0,1]=4 685 B9R2.39 O=C1CC2CC1CN2 D84847 [0,0,0,1,1,0|2,0,0]=4 686 B9R2.39 O=C1NC2CCC1C2 W18193 [0,0,0,1,1,0|1,0,0]=3 687 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 86118 [0,0,0,1,1,0|1,0,0]=3 688 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 D96860 [0,0,0,1,1,0|1,0,0]=3 689 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 I11656 [0,0,0,1,1,0|1,0,0]=3 690 B9R2.39 O[C@H]1C[C@H]2CC[C@@H]1C2 P19938 [0,0,0,1,1,0|1,0,1]=4 691 B11R2.10 S=C1NC2CCCCC2N1 78314 [0,0,0,1,0,1|1,1,0]=4 692 B11R2.678 O=C1CC2CCCC(C1)N2 CS1263 [0,0,0,1,0,1|2,0,0]=4 693 B11R2.703 O=C1CC2(CCCCC2)C1 W16071 [0,0,0,1,0,1|1,0,0]=3 694 B11R2.703 O=C1CC2(CCNCC2)C1 32032 [0,0,0,1,0,1|2,0,0]=4 695 B11R2.703 O=C1CC2(CCNCC2)N1 83090 [0,0,0,1,0,1|2,0,0]=4 696 B11R2.703 O=C1CC2(CCOCC2)C1 P16619 [0,0,0,1,0,1|2,0,0]=4 697 B11R2.703 O=C1C[C@@]2(CCCNC2)N1 P17665 [0,0,0,1,0,1|2,0,0]=4 698 B11R2.824 O=C(O)C1C2CCC1CC2 C12122 [0,0,0,1,0,1|0,0,0]=2 699 B11R2.860 O=C(O)CC1C2CNCC21 D79300 [0,0,0,1,0,1|1,0,0]=3 700 B11R2.700 CN1C[C@@H]2C(C(=O)O)[C@@H]2C1 D79647 [0,1,0,1,0,0|1,0,0]=3 701 B11R2.1 O=C1NC[C@@H]2CCNC[C@H]12 P15471 [0,1,0,1,0,0|2,0,0]=4 702 B11R2.1 O=C1OCC2CCCCC12 D93790 [0,1,0,1,0,0|0,0,0]=2 703 B11R2.1 O=C1OC[C@H]2CNCCN12 62156 [0,1,0,1,0,0|2,0,0]=4 704 B11R2.12 O=C1CCC12CCCCC2 84858 [0,1,0,1,0,0|1,0,0]=3 705 B11R2.12 O=C1NCC12CCNCC2 P11601 [0,1,0,1,0,0|2,0,0]=4 706 B11R2.12 O=C1NCC12CCNCC2 P15327 [0,1,0,1,0,0|2,0,0]=4 707 B11R2.12 O[C@H]1CCC12CCCCC2 84857 [0,1,0,1,0,0|1,0,1]=4 708 B11R2.13 N#C[C@H]1OC12CCCCC2 S10079 [0,1,0,1,0,0|1,0,1]=4 709 B11R2.895 COC(=O)C12CNCC1C2 P14871 [0,1,0,1,0,0|1,0,0]=3 710 B11R2.911 COC(=O)[C@H]1NC[C@H]2C[C@H]21 P15759 [0,1,0,1,0,0|1,0,0]=3 711 B11R2.845 O=C(O)C1NC2CCC1C2 P10477 [0,1,0,1,0,0|1,0,0]=3 712 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1O2 W14576 [0,1,0,1,0,0|0,0,0]=2 713 B11R2.845 O=C(O)[C@H]1N[C@@H]2CC[C@H]1C2 P10586 [0,1,0,1,0,0|1,0,0]=3 714 B11R2.845 O=C([O-])[C@H]1C[C@@H]2CC[C@H]1C2 12454 [0,1,0,1,0,0|0,0,1]=3 715 B11R2.47 O=C1CC2CCC1CC2=O D83633 [0,1,0,1,0,0|1,0,1]=4 716 B7R1.1 C=CC1CCCC1 T72385 [1,0,0,0,1,0|1,0,0]=3 717 B7R1.1 NCC1CCCC1 P10292 [1,0,0,0,1,0|1,0,1]=4 718 B7R1.1 NNC1CCCC1 BL010355 [1,0,0,0,1,0|2,0,0]=4 719 B7R1.1 NOC1CCCC1 97655 [1,0,0,0,1,0|2,0,0]=4 720 B7R1.1 O=CC1=CCCC1 26227 [1,0,0,0,1,0|0,0,2]=4 721 B7R1.1 OC[C@H]1CCCO1 66575 [1,0,0,0,1,0|1,0,1]=4 722 B7R1.1 OC[C@H]1CCNC1 24481 [1,0,0,0,1,0|1,0,1]=4 723 B7R1.1 OC[C@H]1CCNC1 29239 [1,0,0,0,1,0|1,0,1]=4 724 B7R1.1 OC[C@H]1CCNC1 30959 [1,0,0,0,1,0|1,0,1]=4 725 B7R1.1 OC[C@H]1CCOC1 37313 [1,0,0,0,1,0|1,0,1]=4 726 B7R1.1 OC[C@H]1CCOC1 37314 [1,0,0,0,1,0|1,0,1]=4 727 B7R1.1 [C-]#[N+]C1CCCC1 T71226 [1,0,0,0,1,0|2,0,0]=4 728 B7R1.18 CC(=O)C1COC1 79962 [0,0,0,0,2,0|2,0,0]=4 729 B7R1.18 NC(=O)C1CCC1 20365 [0,0,0,0,2,0|1,0,0]=3 730 B7R1.18 NC(=O)[C@@H]1CCN1 20741 [0,0,0,0,2,0|2,0,0]=4 731 B7R1.18 NC(=O)[C@@H]1CCN1 21273 [0,0,0,0,2,0|2,0,0]=4 732 B7R1.18 O=C(O)C1=CCC1 P16818 [0,0,0,0,2,0|0,0,2]=4 733 B7R1.18 O=C(O)C1COC1 81314 [0,0,0,0,2,0|1,0,0]=3 734 B7R1.18 O=C(O)C1CSC1 P12604 [0,0,0,0,2,0|1,0,0]=3 735 B7R1.18 O=C(O)[C@@H]1CCO1 32900 [0,0,0,0,2,0|1,0,0]=3 736 B7R1.18 O=[N+]([O-])C1CCC1 30647 [0,0,0,0,2,0|1,0,1]=4 737 B9R0.14 CCC[C@H](CC)OC(=O)Cl S11051 [0,0,1,0,0,1|1,0,0]=3 738 B9R1.89 CN[C@H]1CCCCNC1 M59314 [1,0,0,0,0,1|2,0,0]=4 739 B9R1.89 CO[C@H]1CCCNCC1 37044 [1,0,0,0,0,1|2,0,0]=4 740 B9R1.89 CO[C@H]1CCCNCC1 37045 [1,0,0,0,0,1|2,0,0]=4 741 B9R1.89 N#CC1CCCCCC1 F53544 [1,0,0,0,0,1|1,0,1]=4 742 B9R1.89 N#C[C@H]1CCCNCC1 P13588 [1,0,0,0,0,1|1,0,1]=4 743 B9R1.89 NNC1CCCCCC1 AB1363 [1,0,0,0,0,1|2,0,0]=4 744 B9R1.89 OC[C@H]1CCCCCN1 C12372 [1,0,0,0,0,1|0,0,1]=3 745 B9R1.89 OC[C@H]1CCCCNC1 P12855 [1,0,0,0,0,1|0,0,1]=3 746 B9R1.89 OC[C@H]1CNCCCO1 32212 [1,0,0,0,0,1|1,0,1]=4 747 B9R1.89 OC[C@H]1CNCCCO1 53535 [1,0,0,0,0,1|1,0,1]=4 748 B11R1.91 OB(O)\C=C\C1CCCCC1 D76075 [0,0,0,0,0,2|1,0,1]=4