0 B9R1.6 CC(=O)C1CCCCC1 C25535 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.6 CC(=O)C1CCNCC1 P69462 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 CC(=O)C1CCOCC1 T11195 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.6 CC(=O)N1CCNCC1 A67843 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.6 CN(C)C1CCNCC1 D23980 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.6 CN(C)C1CCNCC1 D46522 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.6 CN(C)C1CCNCC1 D46603 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.6 C[C@H](Br)C1CCCCC1 B37545 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.6 FC(F)C1CCNCC1 D1937 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.6 FC(F)[C@H]1CCCNC1 D6079 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.6 N=C(N)C1CCOCC1 T7867 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.6 NC(=O)C1CCNCC1 P10277 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.6 NC(=O)C1CCNCC1 P43467 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.6 NC(=O)[C@@H]1CCCNC1 P12324 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.6 NC(=O)[C@@H]1CCCNC1 P7512 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.6 NC(=O)[C@H]1CCCNC1 P12323 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.6 NC(=O)[C@H]1CCCNC1 P7513 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.6 O=C(Cl)C1CCOCC1 T3932 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.6 O=C(O)C1=CCCCO1 D43311 [0,0,0,0,0,0|1,0,2]=3 19 B9R1.6 O=C(O)C1=COCCC1 D23573 [0,0,0,0,0,0|1,0,2]=3 20 B9R1.6 O=C(O)C1CCCCC1 C64950 [0,0,0,0,0,0|0,0,0]=0 21 B9R1.6 O=C(O)C1CCNCC1 P23933 [0,0,0,0,0,0|1,0,0]=1 22 B9R1.6 O=C(O)C1CCNCC1 P24453 [0,0,0,0,0,0|1,0,0]=1 23 B9R1.6 O=C(O)C1CCOCC1 T0117 [0,0,0,0,0,0|1,0,0]=1 24 B9R1.6 O=C(O)C1CCSCC1 T13091 [0,0,0,0,0,0|1,0,0]=1 25 B9R1.6 O=C(O)N1CCCCC1 P62582 [0,0,0,0,0,0|1,0,0]=1 26 B9R1.6 O=C(O)[C@@H]1CC=CCC1 C11079 [0,0,0,0,0,0|0,0,2]=2 27 B9R1.6 O=C(O)[C@@H]1CC=CCC1 C68354 [0,0,0,0,0,0|0,0,2]=2 28 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43440 [0,0,0,0,0,0|1,0,0]=1 29 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43443 [0,0,0,0,0,0|1,0,0]=1 30 B9R1.6 O=C(O)[C@@H]1CCCCO1 T31331 [0,0,0,0,0,0|1,0,0]=1 31 B9R1.6 O=C(O)[C@@H]1CCCNC1 P12310 [0,0,0,0,0,0|1,0,0]=1 32 B9R1.6 O=C(O)[C@@H]1CNCCN1 P10721 [0,0,0,0,0,0|2,0,0]=2 33 B9R1.6 O=C(O)[C@@H]1CNCCN1 P11877 [0,0,0,0,0,0|2,0,0]=2 34 B9R1.6 O=C(O)[C@@H]1CNCCN1 P13373 [0,0,0,0,0,0|2,0,0]=2 35 B9R1.6 O=C(O)[C@@H]1CNCCN1 P41382 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.6 O=C(O)[C@@H]1CNCCO1 M41374 [0,0,0,0,0,0|2,0,0]=2 37 B9R1.6 O=C(O)[C@@H]1CNCCO1 M61070 [0,0,0,0,0,0|2,0,0]=2 38 B9R1.6 O=C(O)[C@@H]1COCCN1 M15337 [0,0,0,0,0,0|2,0,0]=2 39 B9R1.6 O=C(O)[C@@H]1COCCN1 M17082 [0,0,0,0,0,0|2,0,0]=2 40 B9R1.6 O=C(O)[C@@H]1COCCN1 M31616 [0,0,0,0,0,0|2,0,0]=2 41 B9R1.6 O=C(O)[C@@H]1COCCO1 D41234 [0,0,0,0,0,0|2,0,0]=2 42 B9R1.6 O=C(O)[C@H]1CC=CCC1 C11080 [0,0,0,0,0,0|0,0,2]=2 43 B9R1.6 O=C(O)[C@H]1CCCCN1 P28251 [0,0,0,0,0,0|1,0,0]=1 44 B9R1.6 O=C(O)[C@H]1CCCNC1 P12311 [0,0,0,0,0,0|1,0,0]=1 45 B9R1.6 O=C(O)[C@H]1CCCNC1 P43444 [0,0,0,0,0,0|1,0,0]=1 46 B9R1.6 O=C(O)[C@H]1CCCOC1 T0697 [0,0,0,0,0,0|1,0,0]=1 47 B9R1.6 O=C(O)[C@H]1CCCSC1 T1163 [0,0,0,0,0,0|1,0,0]=1 48 B9R1.6 O=C(O)[C@H]1CNCCN1 P10722 [0,0,0,0,0,0|2,0,0]=2 49 B9R1.6 O=C(O)[C@H]1CNCCN1 P11878 [0,0,0,0,0,0|2,0,0]=2 50 B9R1.6 O=C(O)[C@H]1CNCCO1 M18388 [0,0,0,0,0,0|2,0,0]=2 51 B9R1.6 O=C(O)[C@H]1CNCCO1 M63934 [0,0,0,0,0,0|2,0,0]=2 52 B9R1.6 O=C(O)[C@H]1COCCN1 M15338 [0,0,0,0,0,0|2,0,0]=2 53 B9R1.6 O=C(O)[C@H]1COCCN1 M41376 [0,0,0,0,0,0|2,0,0]=2 54 B9R1.6 O=C(O)[C@H]1COCCO1 D41233 [0,0,0,0,0,0|2,0,0]=2 55 B9R1.6 OB(O)C1=CCCCC1 C31070 [0,0,0,0,0,0|1,0,3]=4 56 B9R1.6 OB(O)C1CCCCC1 C2380 [0,0,0,0,0,0|1,0,1]=2 57 B9R1.6 OB(O)C1CCSCC1 T31828 [0,0,0,0,0,0|2,0,1]=3 58 B8R1.2 BrCC1CCCCC1 B43832 [1,0,0,0,0,0|1,0,1]=3 59 B8R1.2 BrCC1CCNCC1 B1292 [1,0,0,0,0,0|2,0,1]=4 60 B8R1.2 BrCC1CCOCC1 B3933 [1,0,0,0,0,0|2,0,1]=4 61 B8R1.2 BrC[C@H]1CCCOC1 B8026 [1,0,0,0,0,0|2,0,1]=4 62 B8R1.2 C#CC1CCNCC1 E24220 [1,0,0,0,0,0|2,0,1]=4 63 B8R1.2 C#CC1CCOCC1 E0568 [1,0,0,0,0,0|2,0,1]=4 64 B8R1.2 C#CC1CCSCC1 E13094 [1,0,0,0,0,0|2,0,1]=4 65 B8R1.2 C#C[C@H]1CCCNC1 E14072 [1,0,0,0,0,0|2,0,1]=4 66 B8R1.2 C#C[C@H]1CCCOC1 E14193 [1,0,0,0,0,0|2,0,1]=4 67 B8R1.2 CC[C@H]1CCCCN1 E46502 [1,0,0,0,0,0|2,0,1]=4 68 B8R1.2 CNC1CCNCC1 M13774 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.2 CNC1CCOCC1 M10218 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.2 CN[C@H]1CCCNC1 M43509 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.2 CN[C@H]1CCCNC1 M43560 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.2 COC1CCNCC1 M0482 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.2 COC1CCNCC1 M1164 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.2 CO[C@@H]1CCCNC1 M10269 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.2 CO[C@@H]1CCCNC1 M10270 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.2 CO[C@H]1CCCNC1 M10271 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.2 CO[C@H]1CCCNC1 M1167 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.2 CO[C@H]1CCCNC1 M7502 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.2 ClC[C@H]1CCCCN1 C41543 [1,0,0,0,0,0|2,0,1]=4 80 B8R1.2 FCC1CCNCC1 F1237 [1,0,0,0,0,0|2,0,1]=4 81 B8R1.2 FCC1CCNCC1 F14211 [1,0,0,0,0,0|2,0,1]=4 82 B8R1.2 FC[C@H]1CCCCN1 F1342 [1,0,0,0,0,0|2,0,1]=4 83 B8R1.2 ICC1CCCCC1 I38363 [1,0,0,0,0,0|1,0,1]=3 84 B8R1.2 ICC1CCOCC1 I10217 [1,0,0,0,0,0|2,0,1]=4 85 B8R1.2 I[Zn]C1CCOCC1 T31854 [1,0,0,0,0,0|3,0,0]=4 86 B8R1.2 N#CC1CCCCC1 C69224 [1,0,0,0,0,0|1,0,1]=3 87 B8R1.2 N#CC1CCCCN1 P20239 [1,0,0,0,0,0|2,0,1]=4 88 B8R1.2 N#CC1CCNCC1 C10273 [1,0,0,0,0,0|2,0,1]=4 89 B8R1.2 N#CC1CCOCC1 C1508 [1,0,0,0,0,0|2,0,1]=4 90 B8R1.2 N#CC1CCSCC1 T13089 [1,0,0,0,0,0|2,0,1]=4 91 B8R1.2 N#C[C@@H]1CCCCN1 C13305 [1,0,0,0,0,0|2,0,1]=4 92 B8R1.2 N#C[C@@H]1CCCCN1 P43432 [1,0,0,0,0,0|2,0,1]=4 93 B8R1.2 N#C[C@@H]1CCCNC1 C15044 [1,0,0,0,0,0|2,0,1]=4 94 B8R1.2 N#C[C@H]1CCCNC1 C15045 [1,0,0,0,0,0|2,0,1]=4 95 B8R1.2 N#C[C@H]1CCCNC1 C1622 [1,0,0,0,0,0|2,0,1]=4 96 B8R1.2 NCC1CCCCC1 C43900 [1,0,0,0,0,0|1,0,1]=3 97 B8R1.2 NCC1CCOCC1 T1166 [1,0,0,0,0,0|2,0,1]=4 98 B8R1.2 NCC1CCSCC1 T13090 [1,0,0,0,0,0|2,0,1]=4 99 B8R1.2 NC[C@@H]1CCCOC1 T14517 [1,0,0,0,0,0|2,0,1]=4 100 B8R1.2 NC[C@H]1CCCCN1 P68366 [1,0,0,0,0,0|2,0,1]=4 101 B8R1.2 NC[C@H]1CCCNC1 P60926 [1,0,0,0,0,0|2,0,1]=4 102 B8R1.2 NC[C@H]1CCCOC1 A14515 [1,0,0,0,0,0|2,0,1]=4 103 B8R1.2 NC[C@H]1CCCOC1 T14516 [1,0,0,0,0,0|2,0,1]=4 104 B8R1.2 NNC1CCCCC1 C43508 [1,0,0,0,0,0|2,0,0]=3 105 B8R1.2 NNC1CCOCC1 T12041 [1,0,0,0,0,0|3,0,0]=4 106 B8R1.2 NNC1CCOCC1 T64234 [1,0,0,0,0,0|3,0,0]=4 107 B8R1.2 NO[C@@H]1CCCCO1 T24832 [1,0,0,0,0,0|3,0,0]=4 108 B8R1.2 O=CC1=CCCOC1 D43308 [1,0,0,0,0,0|1,0,2]=4 109 B8R1.2 O=CC1=COCCC1 D43307 [1,0,0,0,0,0|1,0,2]=4 110 B8R1.2 O=CC1CCOCC1 T0115 [1,0,0,0,0,0|1,0,0]=2 111 B8R1.2 O=CC1CCSCC1 T31827 [1,0,0,0,0,0|1,0,0]=2 112 B8R1.2 O=CN1CCCCC1 P68910 [1,0,0,0,0,0|1,0,0]=2 113 B8R1.2 O=CN1CCOCC1 M68909 [1,0,0,0,0,0|2,0,0]=3 114 B8R1.2 O=C[C@@H]1CCC=CO1 D15376 [1,0,0,0,0,0|1,0,2]=4 115 B8R1.2 OCC1CCNCC1 P0766 [1,0,0,0,0,0|1,0,1]=3 116 B8R1.2 OCC1CCOCC1 H0390 [1,0,0,0,0,0|1,0,1]=3 117 B8R1.2 OCC1CCSCC1 T13093 [1,0,0,0,0,0|1,0,1]=3 118 B8R1.2 OC[C@@H]1CC=CCC1 C43800 [1,0,0,0,0,0|0,0,3]=4 119 B8R1.2 OC[C@@H]1CCCCN1 P7111 [1,0,0,0,0,0|1,0,1]=3 120 B8R1.2 OC[C@@H]1CCCCO1 X24024 [1,0,0,0,0,0|1,0,1]=3 121 B8R1.2 OC[C@@H]1CCCNC1 P41579 [1,0,0,0,0,0|1,0,1]=3 122 B8R1.2 OC[C@@H]1CCCNC1 P60999 [1,0,0,0,0,0|1,0,1]=3 123 B8R1.2 OC[C@@H]1CCCOC1 X59846 [1,0,0,0,0,0|1,0,1]=3 124 B8R1.2 OC[C@@H]1CNCCO1 M18586 [1,0,0,0,0,0|2,0,1]=4 125 B8R1.2 OC[C@@H]1COCCN1 H40409 [1,0,0,0,0,0|2,0,1]=4 126 B8R1.2 OC[C@@H]1COCCN1 M41331 [1,0,0,0,0,0|2,0,1]=4 127 B8R1.2 OC[C@@H]1COCCO1 D23560 [1,0,0,0,0,0|2,0,1]=4 128 B8R1.2 OC[C@H]1CCCCN1 H41578 [1,0,0,0,0,0|1,0,1]=3 129 B8R1.2 OC[C@H]1CCCCN1 P7110 [1,0,0,0,0,0|1,0,1]=3 130 B8R1.2 OC[C@H]1CCCNC1 P0762 [1,0,0,0,0,0|1,0,1]=3 131 B8R1.2 OC[C@H]1CCCNC1 P41576 [1,0,0,0,0,0|1,0,1]=3 132 B8R1.2 OC[C@H]1CCCOC1 H11515 [1,0,0,0,0,0|1,0,1]=3 133 B8R1.2 OC[C@H]1CCCOC1 X59849 [1,0,0,0,0,0|1,0,1]=3 134 B8R1.2 OC[C@H]1CNCCN1 P41389 [1,0,0,0,0,0|2,0,1]=4 135 B8R1.2 OC[C@H]1CNCCN1 P41390 [1,0,0,0,0,0|2,0,1]=4 136 B8R1.2 OC[C@H]1CNCCO1 M19813 [1,0,0,0,0,0|2,0,1]=4 137 B8R1.2 OC[C@H]1CNCCO1 M40407 [1,0,0,0,0,0|2,0,1]=4 138 B8R1.2 OC[C@H]1CNCCO1 M41329 [1,0,0,0,0,0|2,0,1]=4 139 B8R1.2 OC[C@H]1COCCN1 M41332 [1,0,0,0,0,0|2,0,1]=4 140 B8R1.2 OC[C@H]1COCCN1 M61069 [1,0,0,0,0,0|2,0,1]=4 141 B8R1.2 OC[C@H]1COCCN1 M61885 [1,0,0,0,0,0|2,0,1]=4 142 B8R1.2 OC[C@H]1COCCO1 D23561 [1,0,0,0,0,0|2,0,1]=4 143 B8R1.2 OC[C@H]1COCCO1 D40389 [1,0,0,0,0,0|2,0,1]=4 144 B8R1.2 ON=C1CCOCC1 T0658 [1,0,0,0,0,0|2,0,1]=4 145 B8R1.2 ON=C1CCSCC1 T6161 [1,0,0,0,0,0|2,0,1]=4 146 B8R1.2 ONC1CCCCC1 C43480 [1,0,0,0,0,0|1,0,0]=2 147 B8R1.2 [Mg+]CC1CCCCC1 C31706 [1,0,0,0,0,0|1,0,1]=3 148 B10R1.13 CC(=O)C1CCN(C)CC1 A61485 [0,1,0,0,0,0|2,0,0]=3 149 B10R1.13 CC(=O)N1CCC(=O)CC1 A38504 [0,1,0,0,0,0|2,0,1]=4 150 B10R1.13 CC(=O)N1CCC(Cl)CC1 C38339 [0,1,0,0,0,0|2,0,0]=3 151 B10R1.13 CC(=O)N1CCC(N)CC1 A12231 [0,1,0,0,0,0|2,0,0]=3 152 B10R1.13 CC(=O)N1CCC(N)CC1 A12232 [0,1,0,0,0,0|2,0,0]=3 153 B10R1.13 CC(=O)N1CCC(O)CC1 H7831 [0,1,0,0,0,0|2,0,0]=3 154 B10R1.13 CC(=O)N1CCN(C)CC1 M43876 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.13 CC1CCC(C(=O)O)CC1 M47086 [0,1,0,0,0,0|0,0,0]=1 156 B10R1.13 CN(C)C1CCC(N)CC1 D49684 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.13 CN(C)C1CCC(O)CC1 D38821 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.13 CN1CCC(C(=O)O)CC1 M3857 [0,1,0,0,0,0|1,0,0]=2 159 B10R1.13 CN1CCC(C(=O)O)CC1 M46487 [0,1,0,0,0,0|1,0,0]=2 160 B10R1.13 CN1CCC(C(N)=O)CC1 M3856 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 M47088 [0,1,0,0,0,0|0,0,0]=1 162 B10R1.13 NC(=O)C1CCC(=O)CC1 X69547 [0,1,0,0,0,0|1,0,1]=3 163 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 A17080 [0,1,0,0,0,0|0,0,0]=1 164 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 A8201 [0,1,0,0,0,0|0,0,0]=1 165 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 A15622 [0,1,0,0,0,0|0,0,0]=1 166 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 T1863 [0,1,0,0,0,0|0,0,0]=1 167 B10R1.13 O=C(O)C1CCC(F)CC1 F30022 [0,1,0,0,0,0|0,0,0]=1 168 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 H11578 [0,1,0,0,0,0|1,0,0]=2 169 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 H20354 [0,1,0,0,0,0|1,0,0]=2 170 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 H13281 [0,1,0,0,0,0|0,0,0]=1 171 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CN1 H15603 [0,1,0,0,0,0|1,0,0]=2 172 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CN1 H21751 [0,1,0,0,0,0|1,0,0]=2 173 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 H13280 [0,1,0,0,0,0|0,0,0]=1 174 B10R1.13 O=C1CCC(C(=O)O)CC1 X12147 [0,1,0,0,0,0|0,0,1]=2 175 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 X1308 [0,1,0,0,0,0|1,0,1]=3 176 B10R1.13 O=C1CC[C@H](C(=O)O)CN1 X1728 [0,1,0,0,0,0|1,0,1]=3 177 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 X41365 [0,1,0,0,0,0|2,0,1]=4 178 B10R1.15 CC[C@H](N)C1CCCCC1 C52215 [0,1,0,0,0,0|2,0,1]=4 179 B10R1.15 CC[C@H](O)C1CCNCC1 P62545 [0,1,0,0,0,0|2,0,1]=4 180 B10R1.15 CNC(=O)[C@@H]1CCCNC1 N16649 [0,1,0,0,0,0|2,0,0]=3 181 B10R1.15 CNC(=O)[C@H]1CCCNC1 M16650 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.15 CNC(=O)[C@H]1CCCNC1 M63083 [0,1,0,0,0,0|2,0,0]=3 183 B10R1.15 COC(=O)C1=CCCCC1 M47018 [0,1,0,0,0,0|0,0,2]=3 184 B10R1.15 COC(=O)C1=CCOCC1 D4955 [0,1,0,0,0,0|1,0,2]=4 185 B10R1.15 COC(=O)C1=CNCCC1 M29675 [0,1,0,0,0,0|1,0,2]=4 186 B10R1.15 COC(=O)C1=COCCC1 M43727 [0,1,0,0,0,0|1,0,2]=4 187 B10R1.15 COC(=O)C1CCNCC1 M25177 [0,1,0,0,0,0|1,0,0]=2 188 B10R1.15 COC(=O)C1CCNCC1 M39294 [0,1,0,0,0,0|1,0,0]=2 189 B10R1.15 COC(=O)C1CCOCC1 M10320 [0,1,0,0,0,0|1,0,0]=2 190 B10R1.15 COC(=O)C1CCSCC1 M13092 [0,1,0,0,0,0|1,0,0]=2 191 B10R1.15 COC(=O)N1CCNCC1 M62366 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.15 COC(=O)[C@@H]1CCCCN1 M28387 [0,1,0,0,0,0|1,0,0]=2 193 B10R1.15 COC(=O)[C@@H]1CCCCN1 M39293 [0,1,0,0,0,0|1,0,0]=2 194 B10R1.15 COC(=O)[C@@H]1CCCCN1 M39425 [0,1,0,0,0,0|1,0,0]=2 195 B10R1.15 COC(=O)[C@@H]1CCCCO1 M43819 [0,1,0,0,0,0|1,0,0]=2 196 B10R1.15 COC(=O)[C@@H]1CCCNC1 M18060 [0,1,0,0,0,0|1,0,0]=2 197 B10R1.15 COC(=O)[C@@H]1CCCNC1 M21650 [0,1,0,0,0,0|1,0,0]=2 198 B10R1.15 COC(=O)[C@@H]1CNCCN1 M43559 [0,1,0,0,0,0|2,0,0]=3 199 B10R1.15 COC(=O)[C@@H]1CNCCO1 M43453 [0,1,0,0,0,0|2,0,0]=3 200 B10R1.15 COC(=O)[C@@H]1CNCCO1 M43456 [0,1,0,0,0,0|2,0,0]=3 201 B10R1.15 COC(=O)[C@@H]1COCCN1 M13411 [0,1,0,0,0,0|2,0,0]=3 202 B10R1.15 COC(=O)[C@@H]1COCCN1 M18297 [0,1,0,0,0,0|2,0,0]=3 203 B10R1.15 COC(=O)[C@@H]1COCCN1 M19898 [0,1,0,0,0,0|2,0,0]=3 204 B10R1.15 COC(=O)[C@@H]1COCCN1 M41516 [0,1,0,0,0,0|2,0,0]=3 205 B10R1.15 COC(=O)[C@H]1CCCNC1 M21649 [0,1,0,0,0,0|1,0,0]=2 206 B10R1.15 COC(=O)[C@H]1CCCNC1 M26313 [0,1,0,0,0,0|1,0,0]=2 207 B10R1.15 COC(=O)[C@H]1CCCOC1 M5495 [0,1,0,0,0,0|1,0,0]=2 208 B10R1.15 COC(=O)[C@H]1CNCCN1 P15343 [0,1,0,0,0,0|2,0,0]=3 209 B10R1.15 COC(=O)[C@H]1CNCCO1 M37050 [0,1,0,0,0,0|2,0,0]=3 210 B10R1.15 COC(=O)[C@H]1CNCCO1 M43455 [0,1,0,0,0,0|2,0,0]=3 211 B10R1.15 COC(=O)[C@H]1COCCN1 M13412 [0,1,0,0,0,0|2,0,0]=3 212 B10R1.15 CSC(=S)N1CCCCC1 M43860 [0,1,0,0,0,0|1,2,0]=4 213 B10R1.15 NCC(=O)C1CCCCC1 A11156 [0,1,0,0,0,0|1,0,0]=2 214 B10R1.15 NCC(=O)N1CCCCC1 A46500 [0,1,0,0,0,0|2,0,0]=3 215 B10R1.15 NNC(=O)C1CCOCC1 T15051 [0,1,0,0,0,0|2,0,0]=3 216 B10R1.15 NNC(=O)[C@H]1CCCOC1 T15052 [0,1,0,0,0,0|2,0,0]=3 217 B10R1.15 N[C@H](CO)C1CCCCC1 A47172 [0,1,0,0,0,0|1,0,1]=3 218 B10R1.15 O=C(CBr)C1CCOCC1 B13722 [0,1,0,0,0,0|2,0,0]=3 219 B10R1.15 O=C(CBr)N1CCOCC1 B41454 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.15 O=C(CCl)N1CCOCC1 C41455 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.15 O=C(CO)N1CCOCC1 H41514 [0,1,0,0,0,0|2,0,0]=3 222 B10R1.28 CC(C)(O)C1CCCCC1 C29711 [0,1,0,0,0,0|1,0,1]=3 223 B10R1.28 CC(C)(O)C1CCNCC1 P11780 [0,1,0,0,0,0|2,0,1]=4 224 B10R1.28 CS(=O)(=O)C1CCNCC1 M0129 [0,1,0,0,0,0|2,0,1]=4 225 B10R1.28 CS(=O)(=O)[C@@H]1CCCNC1 M31004 [0,1,0,0,0,0|2,0,1]=4 226 B10R1.28 CS(=O)(=O)[C@H]1CCCNC1 M1655 [0,1,0,0,0,0|2,0,1]=4 227 B10R1.28 CS(=O)(=O)[C@H]1CCCNC1 M31005 [0,1,0,0,0,0|2,0,1]=4 228 B10R1.28 F[B-](F)(F)C1CCCCC1 P41404 [0,1,0,0,0,0|3,0,0]=4 229 B10R1.28 NS(=O)(=O)C1CCCCC1 C41590 [0,1,0,0,0,0|1,0,1]=3 230 B10R1.28 O=S(=O)(Cl)N1CCCCC1 P40377 [0,1,0,0,0,0|2,0,1]=4 231 B10R1.61 CC(C)C1CCCCC1O P50579 [0,1,0,0,0,0|2,0,1]=4 232 B10R1.61 CC1NCCCC1C(=O)O M46488 [0,1,0,0,0,0|1,0,0]=2 233 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1N D38732 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1N D47195 [0,1,0,0,0,0|3,0,0]=4 235 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1N D47196 [0,1,0,0,0,0|3,0,0]=4 236 B10R1.61 CN1CCCC[C@@H]1C(=O)O M23602 [0,1,0,0,0,0|1,0,0]=2 237 B10R1.61 CN1CCCC[C@H]1C(=O)O M23603 [0,1,0,0,0,0|1,0,0]=2 238 B10R1.61 CN1CCCC[C@H]1C(=O)O M46486 [0,1,0,0,0,0|1,0,0]=2 239 B10R1.61 C[C@@H]1OCCN[C@H]1C(=O)O M43457 [0,1,0,0,0,0|2,0,0]=3 240 B10R1.113 CC(=O)N1CCN[C@@H](C)C1 M46501 [0,1,0,0,0,0|3,0,0]=4 241 B10R1.113 CC1CCCC(C(=O)O)N1 M43847 [0,1,0,0,0,0|1,0,0]=2 242 B10R1.113 CN1CCC[C@H](C(=O)O)C1 M12564 [0,1,0,0,0,0|1,0,0]=2 243 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 M25194 [0,1,0,0,0,0|1,0,0]=2 244 B10R1.113 C[C@@H]1CNC[C@H](C(=O)O)C1 M59674 [0,1,0,0,0,0|1,0,0]=2 245 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)C1 M59675 [0,1,0,0,0,0|1,0,0]=2 246 B10R1.113 C[C@H]1CNC[C@H](C(=O)O)C1 M59698 [0,1,0,0,0,0|1,0,0]=2 247 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 A15487 [0,1,0,0,0,0|0,0,0]=1 248 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 A27720 [0,1,0,0,0,0|0,0,0]=1 249 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 A27835 [0,1,0,0,0,0|0,0,0]=1 250 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A13773 [0,1,0,0,0,0|0,0,0]=1 251 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A15702 [0,1,0,0,0,0|0,0,0]=1 252 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A27836 [0,1,0,0,0,0|0,0,0]=1 253 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A46492 [0,1,0,0,0,0|0,0,0]=1 254 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 A27837 [0,1,0,0,0,0|0,0,0]=1 255 B10R1.113 O=C(O)C1CC(O)CCN1 H36833 [0,1,0,0,0,0|1,0,0]=2 256 B10R1.113 O=C(O)C1CCCC(O)C1 H43817 [0,1,0,0,0,0|0,0,0]=1 257 B10R1.113 O=C(O)[C@H]1C[C@H](O)CCN1 H43459 [0,1,0,0,0,0|1,0,0]=2 258 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 P69097 [0,1,0,0,0,0|1,0,1]=3 259 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 X43724 [0,1,0,0,0,0|0,0,1]=2 260 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 X63709 [0,1,0,0,0,0|1,0,1]=3 261 B10R1.113 O=C1C[C@@H](C(=O)O)CCN1 X1724 [0,1,0,0,0,0|1,0,1]=3 262 B10R1.363 CC(=O)C1(C)CCOCC1 M26198 [0,1,0,0,0,0|2,0,0]=3 263 B10R1.363 CC1(C(=O)O)CCNCC1 M26508 [0,1,0,0,0,0|1,0,0]=2 264 B10R1.363 CC1(C(=O)O)CCOCC1 M0516 [0,1,0,0,0,0|1,0,0]=2 265 B10R1.363 CC1(C(=O)O)CCSCC1 M13095 [0,1,0,0,0,0|1,0,0]=2 266 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 M61881 [0,1,0,0,0,0|1,0,0]=2 267 B10R1.363 C[C@]1(C(=O)O)CCCCN1 M16273 [0,1,0,0,0,0|1,0,0]=2 268 B10R1.363 C[C@]1(C(=O)O)CCCNC1 M11314 [0,1,0,0,0,0|1,0,0]=2 269 B10R1.363 C[C@]1(C(=O)O)CCCNC1 M11315 [0,1,0,0,0,0|1,0,0]=2 270 B10R1.363 NC1(C(=O)O)CCCCC1 A68884 [0,1,0,0,0,0|0,0,0]=1 271 B10R1.363 NC1(C(=O)O)CCNCC1 A15544 [0,1,0,0,0,0|1,0,0]=2 272 B10R1.363 NC1(C(=O)O)CCOCC1 A12039 [0,1,0,0,0,0|1,0,0]=2 273 B10R1.363 NC1(C(=O)O)CCOCC1 A43458 [0,1,0,0,0,0|1,0,0]=2 274 B10R1.363 O=C(O)C1(F)CCOCC1 F11519 [0,1,0,0,0,0|1,0,0]=2 275 B10R1.363 O=C(O)C1(O)CCCCC1 H43816 [0,1,0,0,0,0|0,0,0]=1 276 B10R1.363 O=C(O)C1(O)CCOCC1 H23960 [0,1,0,0,0,0|1,0,0]=2 277 B8R0.7 C#CCCCCC(=O)O H43713 [0,0,1,0,0,0|0,0,2]=3 278 B8R0.7 C#CCOCCC(=O)O P43310 [0,0,1,0,0,0|1,0,2]=4 279 B8R0.7 C=CCCCCC(=O)O H63383 [0,0,1,0,0,0|0,0,2]=3 280 B8R0.7 CCCCCCB(O)O H41623 [0,0,1,0,0,0|1,0,1]=3 281 B8R0.7 CCCCCC[C@@H](C)O X47207 [0,0,1,0,0,0|1,0,1]=3 282 B8R0.7 COCCOCC(=O)O M37948 [0,0,1,0,0,0|2,0,0]=3 283 B8R0.7 NCCNCCC(=O)[O-] S41302 [0,0,1,0,0,0|2,0,1]=4 284 B8R0.7 NCCOCCC(=O)O A40415 [0,0,1,0,0,0|2,0,0]=3 285 B8R0.7 O=C(O)CCCCCBr B67880 [0,0,1,0,0,0|1,0,0]=2 286 B8R0.7 O=C(O)CCCCCCl C41527 [0,0,1,0,0,0|1,0,0]=2 287 B8R0.7 O=C(O)CCOCCBr B41274 [0,0,1,0,0,0|2,0,0]=3 288 B8R0.7 O=C([O-])CCCCCO P41406 [0,0,1,0,0,0|1,0,1]=3 289 B8R0.7 [N-]=[N+]=NCCCC(=O)O A1941 [0,0,1,0,0,0|3,0,0]=4 290 B8R0.8 C=CCC[C@H](N)C(=O)O A41502 [0,0,1,0,0,0|1,0,2]=4 291 B8R0.8 CC#CC[C@H](N)C(=O)O A32035 [0,0,1,0,0,0|1,0,2]=4 292 B8R0.8 CCCC[C@H](N)C(=O)O A68582 [0,0,1,0,0,0|1,0,0]=2 293 B8R0.8 CSCCC(O)C(=O)[O-] C54080 [0,0,1,0,0,0|2,0,1]=4 294 B8R0.8 CSCC[C@H](N)C(=O)O M60616 [0,0,1,0,0,0|2,0,0]=3 295 B10R2.61 O=C1OC2C=CCC1C2 X38973 [0,0,0,1,0,0|0,0,2]=3 296 B10R2.61 OC1CC2CCCC1N2 A14772 [0,0,0,1,0,0|2,0,1]=4 297 B10R2.61 O[C@@H]1C[C@H]2CCC[C@@H]1N2 A14870 [0,0,0,1,0,0|2,0,1]=4 298 B10R2.61 O[C@@H]1C[C@H]2CCC[C@@H]1N2 A27659 [0,0,0,1,0,0|2,0,1]=4 299 B10R2.61 O[C@H]1C[C@H]2CCC[C@@H]1N2 A14871 [0,0,0,1,0,0|2,0,1]=4 300 B10R2.61 O[C@H]1C[C@H]2CCC[C@@H]1N2 A27660 [0,0,0,1,0,0|2,0,1]=4 301 B10R2.62 O=C1CN2CCC1CC2 A17311 [0,0,0,1,0,0|2,0,0]=3 302 B10R2.62 O=C1NC2CCC1CC2 A11449 [0,0,0,1,0,0|1,0,0]=2 303 B10R2.62 OC1CC2CCC1NC2 H10664 [0,0,0,1,0,0|2,0,1]=4 304 B10R2.62 O[C@H]1CC2CCC1CC2 B47081 [0,0,0,1,0,0|1,0,1]=3 305 B10R2.344 O=C(O)C12CNCC1C2 A11245 [0,0,0,1,0,0|1,0,0]=2 306 B10R2.344 O=C(O)[C@@]12CC1CCN2 A59678 [0,0,0,1,0,0|1,0,0]=2 307 B10R2.351 NC(=O)[C@@H]1[C@H]2CNC[C@H]21 A11243 [0,0,0,1,0,0|2,0,0]=3 308 B10R2.351 NC(=O)[C@@H]1[C@H]2CNC[C@H]21 A31829 [0,0,0,1,0,0|2,0,0]=3 309 B10R2.351 O=C(O)C1C2COCC21 X43312 [0,0,0,1,0,0|1,0,0]=2 310 B10R2.351 O=C(O)[C@@H]1[C@H]2COC[C@H]21 X13542 [0,0,0,1,0,0|1,0,0]=2 311 B10R2.351 O=C(O)[C@H]1[C@H]2COC[C@H]21 X24260 [0,0,0,1,0,0|1,0,0]=2 312 B10R2.355 O=C(O)[C@@H]1NC[C@@H]2C[C@@H]21 A8244 [0,0,0,1,0,0|1,0,0]=2 313 B10R2.355 O=C(O)[C@@H]1NC[C@H]2C[C@H]21 A60096 [0,0,0,1,0,0|1,0,0]=2 314 B10R2.355 O=C(O)[C@H]1NC[C@@H]2CC12 A15434 [0,0,0,1,0,0|1,0,0]=2 315 B10R2.357 O=C(O)C1CC2CC2C1 B11090 [0,0,0,1,0,0|0,0,0]=1 316 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 A11247 [0,0,0,1,0,0|1,0,0]=2 317 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 A13960 [0,0,0,1,0,0|1,0,0]=2 318 B8R1.7 CC(=O)C1CCCC1 C69351 [0,0,0,0,1,0|1,0,0]=2 319 B8R1.7 CC(=O)[C@H]1NCCS1 T41381 [0,0,0,0,1,0|3,0,0]=4 320 B8R1.7 CC(O)C1CCNC1 P61134 [0,0,0,0,1,0|2,0,1]=4 321 B8R1.7 C[C@H](N)C1CCCC1 C31670 [0,0,0,0,1,0|2,0,1]=4 322 B8R1.7 N=C(N)[C@@H]1CCCN1 P69767 [0,0,0,0,1,0|3,0,0]=4 323 B8R1.7 N=C(N)[C@@H]1CCCO1 T41316 [0,0,0,0,1,0|3,0,0]=4 324 B8R1.7 NC(=O)[C@@H]1CCCN1 P23637 [0,0,0,0,1,0|2,0,0]=3 325 B8R1.7 NC(=O)[C@@H]1CCCN1 P64914 [0,0,0,0,1,0|2,0,0]=3 326 B8R1.7 NC(=O)[C@@H]1CCCN1 P67734 [0,0,0,0,1,0|2,0,0]=3 327 B8R1.7 NC(=O)[C@@H]1CCNC1 P0296 [0,0,0,0,1,0|2,0,0]=3 328 B8R1.7 NC(=O)[C@H]1CCCN1 P40370 [0,0,0,0,1,0|2,0,0]=3 329 B8R1.7 NC(=O)[C@H]1CCNC1 P0295 [0,0,0,0,1,0|2,0,0]=3 330 B8R1.7 NC(=O)[C@H]1CCNC1 P1146 [0,0,0,0,1,0|2,0,0]=3 331 B8R1.7 NC(=O)[C@H]1CCNC1 P7510 [0,0,0,0,1,0|2,0,0]=3 332 B8R1.7 NC(=O)[C@H]1CCNC1 P7511 [0,0,0,0,1,0|2,0,0]=3 333 B8R1.7 NC(=O)[C@H]1CCOC1 T11900 [0,0,0,0,1,0|2,0,0]=3 334 B8R1.7 O=C(Cl)[C@H]1CCOC1 T41177 [0,0,0,0,1,0|2,0,0]=3 335 B8R1.7 O=C(O)C1=CCCC1 C43305 [0,0,0,0,1,0|0,0,2]=3 336 B8R1.7 O=C(O)C1=COCC1 D8190 [0,0,0,0,1,0|1,0,2]=4 337 B8R1.7 O=C(O)C1CC=CC1 C11537 [0,0,0,0,1,0|0,0,2]=3 338 B8R1.7 O=C(O)C1CCCC1 C23144 [0,0,0,0,1,0|0,0,0]=1 339 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41170 [0,0,0,0,1,0|1,0,2]=4 340 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41356 [0,0,0,0,1,0|1,0,2]=4 341 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [0,0,0,0,1,0|1,0,0]=2 342 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [0,0,0,0,1,0|1,0,0]=2 343 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [0,0,0,0,1,0|1,0,0]=2 344 B8R1.7 O=C(O)[C@@H]1CCCS1 T41225 [0,0,0,0,1,0|1,0,0]=2 345 B8R1.7 O=C(O)[C@@H]1CCNC1 P12309 [0,0,0,0,1,0|1,0,0]=2 346 B8R1.7 O=C(O)[C@@H]1CCNC1 P6961 [0,0,0,0,1,0|1,0,0]=2 347 B8R1.7 O=C(O)[C@@H]1CCOC1 T1673 [0,0,0,0,1,0|1,0,0]=2 348 B8R1.7 O=C(O)[C@@H]1COCN1 X40338 [0,0,0,0,1,0|2,0,0]=3 349 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [0,0,0,0,1,0|1,0,0]=2 350 B8R1.7 O=C(O)[C@H]1CCNC1 P1152 [0,0,0,0,1,0|1,0,0]=2 351 B8R1.7 O=C(O)[C@H]1CCNC1 P1524 [0,0,0,0,1,0|1,0,0]=2 352 B8R1.7 O=C(O)[C@H]1CCNC1 P15767 [0,0,0,0,1,0|1,0,0]=2 353 B8R1.7 O=C(O)[C@H]1CCNC1 P41372 [0,0,0,0,1,0|1,0,0]=2 354 B8R1.7 O=C(O)[C@H]1CCOC1 T0394 [0,0,0,0,1,0|1,0,0]=2 355 B8R1.7 O=C(O)[C@H]1CCOC1 T0395 [0,0,0,0,1,0|1,0,0]=2 356 B8R1.7 O=C(O)[C@H]1CSCN1 T63317 [0,0,0,0,1,0|2,0,0]=3 357 B8R1.7 OB(O)C1CCCC1 C2400 [0,0,0,0,1,0|1,0,1]=3 358 B10R1.18 CC(=O)NC1CCNCC1 A43874 [0,0,0,0,0,1|2,0,0]=3 359 B10R1.18 C[C@H](N)CC1CCCCC1 C52214 [0,0,0,0,0,1|2,0,1]=4 360 B10R1.18 NC(=O)CC1CCNCC1 P13834 [0,0,0,0,0,1|2,0,0]=3 361 B10R1.18 O=C(O)C=C1CCNCC1 P64007 [0,0,0,0,0,1|1,0,1]=3 362 B10R1.18 O=C(O)CC1CCCCC1 C69214 [0,0,0,0,0,1|0,0,0]=1 363 B10R1.18 O=C(O)CC1CCNCC1 P7877 [0,0,0,0,0,1|1,0,0]=2 364 B10R1.18 O=C(O)CC1CCOCC1 T0118 [0,0,0,0,0,1|1,0,0]=2 365 B10R1.18 O=C(O)CN1CCOCC1 M41512 [0,0,0,0,0,1|2,0,0]=3 366 B10R1.18 O=C(O)CN1CCOCC1 M43451 [0,0,0,0,0,1|2,0,0]=3 367 B10R1.18 O=C(O)C[C@H]1CCCCO1 T37652 [0,0,0,0,0,1|1,0,0]=2 368 B10R1.18 O=C(O)C[C@H]1CCCNC1 P10342 [0,0,0,0,0,1|1,0,0]=2 369 B10R1.18 O=C(O)C[C@H]1CCCNC1 P46485 [0,0,0,0,0,1|1,0,0]=2 370 B10R1.18 O=C(O)C[C@H]1CNCCO1 M43454 [0,0,0,0,0,1|2,0,0]=3 371 B10R1.18 O=C(O)C[C@H]1COCCN1 M13099 [0,0,0,0,0,1|2,0,0]=3 372 B10R1.18 O=C(O)C[C@H]1COCCN1 M43452 [0,0,0,0,0,1|2,0,0]=3 373 B10R1.18 O=C(O)C[C@H]1COCCO1 D11968 [0,0,0,0,0,1|2,0,0]=3 374 B10R1.18 OB(O)CC1CCCCC1 C43936 [0,0,0,0,0,1|1,0,1]=3 375 B10R1.348 CC(=O)N1CCCNCC1 D43875 [0,0,0,0,0,1|2,0,0]=3 376 B10R1.348 NC(=O)C1CCCCCC1 C47114 [0,0,0,0,0,1|1,0,0]=2 377 B10R1.348 O=C(O)C1CCC=CCC1 C47016 [0,0,0,0,0,1|0,0,1]=2 378 B10R1.348 O=C(O)[C@H]1CCCNCC1 H1656 [0,0,0,0,0,1|0,0,0]=1 379 B7R0.1 C=CCCCCCBr B43831 [1,0,1,0,0,0|2,0,0]=4 380 B7R0.1 C=CCCCCNC M43901 [1,0,1,0,0,0|2,0,0]=4 381 B7R0.1 C=CCCCCNC M46504 [1,0,1,0,0,0|2,0,0]=4 382 B7R0.1 CCCCCCCBr B43897 [1,0,1,0,0,0|1,0,1]=4 383 B7R0.1 CCCCCCC[Mg+] H31707 [1,0,1,0,0,0|1,0,1]=4 384 B7R0.1 NCCCCCCO A36606 [1,0,1,0,0,0|1,0,1]=4 385 B7R0.1 O=CCCCCC=O A3137 [1,0,1,0,0,0|1,0,1]=4 386 B7R0.1 OCCCCCCBr B41603 [1,0,1,0,0,0|1,0,1]=4 387 B7R0.1 OCCCCCCCl C64682 [1,0,1,0,0,0|1,0,1]=4 388 B7R0.1 OCCCCCCI I4468 [1,0,1,0,0,0|1,0,1]=4 389 B7R0.4 C#CCCCC(=O)O H43301 [1,0,1,0,0,0|0,0,2]=4 390 B7R0.4 CC(=O)CCCCBr B41532 [1,0,1,0,0,0|2,0,0]=4 391 B7R0.4 CCCCCB(O)O P38628 [1,0,1,0,0,0|1,0,1]=4 392 B7R0.4 CCCCC[C@H](C)O H43947 [1,0,1,0,0,0|1,0,1]=4 393 B7R0.4 CCCCOC(N)=O B39165 [1,0,1,0,0,0|2,0,0]=4 394 B7R0.4 CCCOCC(=O)O P40387 [1,0,1,0,0,0|1,0,0]=3 395 B7R0.4 CCC\C=C\C(=O)O H41460 [1,0,1,0,0,0|0,0,2]=4 396 B7R0.4 CNCCCC(=O)O M63276 [1,0,1,0,0,0|1,0,0]=3 397 B7R0.4 COCCCC(=O)O M67387 [1,0,1,0,0,0|1,0,0]=3 398 B7R0.4 N#CCCCC(=O)O C41166 [1,0,1,0,0,0|1,0,1]=4 399 B7R0.4 O=C(O)CCCCBr B39187 [1,0,1,0,0,0|1,0,0]=3 400 B7R0.4 O=C(O)CCCCCl C39191 [1,0,1,0,0,0|1,0,0]=3 401 B7R0.4 O=C(O)CCCCO H37199 [1,0,1,0,0,0|1,0,0]=3 402 B7R0.4 O=C(O)CNCCO H40270 [1,0,1,0,0,0|2,0,0]=4 403 B7R0.4 O=C(O)COCCCl C40236 [1,0,1,0,0,0|2,0,0]=4 404 B7R0.4 O=C([O-])CCCCO S41306 [1,0,1,0,0,0|1,0,1]=4 405 B7R0.3 CCCC[C@@H](N)CO A43512 [1,0,1,0,0,0|1,0,1]=4 406 B7R0.5 CCC=C(C)C(=O)O M39198 [1,0,1,0,0,0|0,0,2]=4 407 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [1,0,1,0,0,0|1,0,0]=3 408 B7R0.5 CCC[C@H](O)C(=O)O H40390 [1,0,1,0,0,0|1,0,0]=3 409 B7R0.5 CC\C=C(/C)C(=O)O M41462 [1,0,1,0,0,0|0,0,2]=4 410 B7R0.5 COC[C@@H](N)C(=O)O A40353 [1,0,1,0,0,0|2,0,0]=4 411 B7R0.5 COC[C@@H](N)C(=O)O A61058 [1,0,1,0,0,0|2,0,0]=4 412 B7R0.5 COC[C@H](Br)C(=O)O B40233 [1,0,1,0,0,0|2,0,0]=4 413 B7R0.5 COC[C@H](N)C(=O)O A40354 [1,0,1,0,0,0|2,0,0]=4 414 B7R0.5 COC[C@H](N)C(=O)O A67760 [1,0,1,0,0,0|2,0,0]=4 415 B7R0.5 NCC[C@@H](N)C(=O)O D40355 [1,0,1,0,0,0|2,0,0]=4 416 B7R0.5 NCC[C@H](F)C(=O)O A63044 [1,0,1,0,0,0|2,0,0]=4 417 B7R0.5 NCC[C@H](N)C(=O)O D37858 [1,0,1,0,0,0|2,0,0]=4 418 B7R0.5 NCC[C@H](N)C(=O)O D68313 [1,0,1,0,0,0|2,0,0]=4 419 B7R0.5 NCC[C@H](O)C(=O)O A39157 [1,0,1,0,0,0|2,0,0]=4 420 B7R0.5 N[C@@H](CCBr)C(=O)O A37762 [1,0,1,0,0,0|2,0,0]=4 421 B7R0.5 N[C@@H](CCO)C(=O)O A68603 [1,0,1,0,0,0|2,0,0]=4 422 B7R0.5 N[C@@H](CCS)C(=O)O H68345 [1,0,1,0,0,0|2,0,0]=4 423 B7R0.5 N[C@H](CCO)C(=O)O A68363 [1,0,1,0,0,0|2,0,0]=4 424 B7R0.5 N[C@H](CCS)C(=O)O A66150 [1,0,1,0,0,0|2,0,0]=4 425 B7R0.15 CCC(CC)C(=O)[O-] M43580 [1,0,1,0,0,0|0,0,1]=3 426 B7R0.15 O=C(O)C(CBr)CBr B40213 [1,0,1,0,0,0|2,0,0]=4 427 B7R0.15 O=C(O)C(CS)CS M67176 [1,0,1,0,0,0|2,0,0]=4 428 B7R1.3 BrC1CCCCC1 B69054 [2,0,0,0,0,0|1,0,0]=3 429 B7R1.3 BrC1CCNCC1 B40375 [2,0,0,0,0,0|2,0,0]=4 430 B7R1.3 BrC1CCOCC1 B1507 [2,0,0,0,0,0|2,0,0]=4 431 B7R1.3 BrC1CCSCC1 B31817 [2,0,0,0,0,0|2,0,0]=4 432 B7R1.3 C=C1CCNCC1 M19855 [2,0,0,0,0,0|1,0,1]=4 433 B7R1.3 C=C1CCOCC1 M23324 [2,0,0,0,0,0|1,0,1]=4 434 B7R1.3 C[C@@H]1CCCNC1 M43474 [2,0,0,0,0,0|1,0,1]=4 435 B7R1.3 C[C@H]1CCCCN1 M43475 [2,0,0,0,0,0|1,0,1]=4 436 B7R1.3 ClC1CCNCC1 C40376 [2,0,0,0,0,0|2,0,0]=4 437 B7R1.3 ClC1CCOCC1 C4527 [2,0,0,0,0,0|2,0,0]=4 438 B7R1.3 FC1CCNCC1 F6080 [2,0,0,0,0,0|2,0,0]=4 439 B7R1.3 F[C@@H]1CCCNC1 F7495 [2,0,0,0,0,0|2,0,0]=4 440 B7R1.3 F[C@H]1CCCNC1 F1651 [2,0,0,0,0,0|2,0,0]=4 441 B7R1.3 F[C@H]1CCCNC1 F7461 [2,0,0,0,0,0|2,0,0]=4 442 B7R1.3 IC1CCOCC1 I1189 [2,0,0,0,0,0|2,0,0]=4 443 B7R1.3 IC1CCSCC1 I31818 [2,0,0,0,0,0|2,0,0]=4 444 B7R1.3 NC1CCCCC1 C39283 [2,0,0,0,0,0|1,0,0]=3 445 B7R1.3 NC1CCNCC1 P67610 [2,0,0,0,0,0|2,0,0]=4 446 B7R1.3 NC1CCOCC1 A1504 [2,0,0,0,0,0|2,0,0]=4 447 B7R1.3 NC1CCOCC1 T1169 [2,0,0,0,0,0|2,0,0]=4 448 B7R1.3 NC1CCSCC1 T22381 [2,0,0,0,0,0|2,0,0]=4 449 B7R1.3 NC1CCSCC1 T5312 [2,0,0,0,0,0|2,0,0]=4 450 B7R1.3 N[C@@H]1CCCNC1 A10836 [2,0,0,0,0,0|2,0,0]=4 451 B7R1.3 N[C@@H]1CCCNC1 P32424 [2,0,0,0,0,0|2,0,0]=4 452 B7R1.3 N[C@@H]1CCCOC1 X18615 [2,0,0,0,0,0|2,0,0]=4 453 B7R1.3 N[C@H]1CCCNC1 P41385 [2,0,0,0,0,0|2,0,0]=4 454 B7R1.3 N[C@H]1CCCNC1 P67457 [2,0,0,0,0,0|2,0,0]=4 455 B7R1.3 N[C@H]1CCCOC1 T1132 [2,0,0,0,0,0|2,0,0]=4 456 B7R1.3 N[C@H]1CCCOC1 X17960 [2,0,0,0,0,0|2,0,0]=4 457 B7R1.3 O=C1CCCCN1 P69632 [2,0,0,0,0,0|1,0,1]=4 458 B7R1.3 O=C1CCCNC1 P1523 [2,0,0,0,0,0|1,0,1]=4 459 B7R1.3 O=C1CCCNC1 P31811 [2,0,0,0,0,0|1,0,1]=4 460 B7R1.3 O=C1CCCOC1 T7026 [2,0,0,0,0,0|1,0,1]=4 461 B7R1.3 O=C1CCCSC1 T1776 [2,0,0,0,0,0|1,0,1]=4 462 B7R1.3 O=C1CCNCC1 P23503 [2,0,0,0,0,0|1,0,1]=4 463 B7R1.3 O=C1CCOCC1 T4632 [2,0,0,0,0,0|1,0,1]=4 464 B7R1.3 O=C1CCSCC1 T6200 [2,0,0,0,0,0|1,0,1]=4 465 B7R1.3 O=S1CCNCC1 T5787 [2,0,0,0,0,0|2,0,0]=4 466 B7R1.3 OC1CCNCC1 P24137 [2,0,0,0,0,0|1,0,0]=3 467 B7R1.3 OC1CCNCC1 P41321 [2,0,0,0,0,0|1,0,0]=3 468 B7R1.3 OC1CCOCC1 H0389 [2,0,0,0,0,0|1,0,0]=3 469 B7R1.3 OC1CCSCC1 H31816 [2,0,0,0,0,0|1,0,0]=3 470 B7R1.3 OC1COCOC1 D38760 [2,0,0,0,0,0|2,0,0]=4 471 B7R1.3 O[C@@H]1CCCNC1 H12298 [2,0,0,0,0,0|1,0,0]=3 472 B7R1.3 O[C@@H]1CCCNC1 H1652 [2,0,0,0,0,0|1,0,0]=3 473 B7R1.3 O[C@@H]1CCCOC1 T15984 [2,0,0,0,0,0|1,0,0]=3 474 B7R1.3 O[C@@H]1CNCCO1 M40347 [2,0,0,0,0,0|2,0,0]=4 475 B7R1.3 O[C@H]1CCCNC1 H0276 [2,0,0,0,0,0|1,0,0]=3 476 B7R1.3 O[C@H]1CCCNC1 H10264 [2,0,0,0,0,0|1,0,0]=3 477 B7R1.3 O[C@H]1CCCNC1 H10265 [2,0,0,0,0,0|1,0,0]=3 478 B7R1.3 O[C@H]1CCCNC1 H4736 [2,0,0,0,0,0|1,0,0]=3 479 B7R1.3 O[C@H]1CCCOC1 H11398 [2,0,0,0,0,0|1,0,0]=3 480 B7R1.3 O[C@H]1CCCOC1 T25087 [2,0,0,0,0,0|1,0,0]=3 481 B7R1.3 SC1CCNCC1 P11895 [2,0,0,0,0,0|1,1,0]=4 482 B7R1.3 S[C@H]1CCCNC1 P15399 [2,0,0,0,0,0|1,1,0]=4 483 B7R1.3 [Mg+]C1CCCCC1 C31701 [2,0,0,0,0,0|1,0,0]=3 484 B7R1.3 [Mg+]C1CCOCC1 T8353 [2,0,0,0,0,0|2,0,0]=4 485 B7R1.3 [Mg+]C1CCOCC1 T8354 [2,0,0,0,0,0|2,0,0]=4 486 B7R1.3 [Mg+]C1CCSCC1 T31824 [2,0,0,0,0,0|2,0,0]=4 487 B9R0.1 COC(=O)CCCC(=O)O M37961 [0,1,1,0,0,0|1,0,1]=4 488 B9R0.2 CC(=O)OCCCCCBr B43861 [0,1,1,0,0,0|2,0,0]=4 489 B9R0.2 CCCCCCCB(O)O H43957 [0,1,1,0,0,0|1,0,1]=4 490 B9R0.2 NCCCCCCC(=O)O A46516 [0,1,1,0,0,0|0,0,0]=2 491 B9R0.2 NCCCCCCC(=O)O A67452 [0,1,1,0,0,0|0,0,0]=2 492 B9R0.2 O=C(O)CCCCCCBr B43862 [0,1,1,0,0,0|0,0,0]=2 493 B9R0.2 O=C(O)CCCCCCO H36659 [0,1,1,0,0,0|0,0,0]=2 494 B9R0.2 [N-]=[N+]=NCCCCC(=O)O A1942 [0,1,1,0,0,0|2,0,0]=4 495 B9R0.38 CCCCCCS(=O)(=O)[O-] S41600 [0,1,1,0,0,0|1,0,1]=4 496 B9R0.38 CCCCCCS(=O)(=O)[O-] S41601 [0,1,1,0,0,0|1,0,1]=4 497 B9R0.46 COC(=O)CCCCCBr M39296 [0,1,1,0,0,0|1,0,0]=3 498 B9R0.46 COC(=O)CCCCCN M67967 [0,1,1,0,0,0|1,0,0]=3 499 B9R0.47 C=CCCC[C@H](N)C(=O)O A43841 [0,1,1,0,0,0|0,0,2]=4 500 B9R0.47 CCCCC[C@@H](N)C(=O)O A43920 [0,1,1,0,0,0|0,0,0]=2 501 B9R0.47 CCCCC[C@H](N)C(=O)O A43919 [0,1,1,0,0,0|0,0,0]=2 502 B9R0.47 CCCCC[C@H](N)C(=O)O A43921 [0,1,1,0,0,0|0,0,0]=2 503 B9R0.47 NCCCC[C@@H](N)C(=O)O L64962 [0,1,1,0,0,0|1,0,0]=3 504 B9R0.47 NCCCC[C@H](N)C(N)=O D43569 [0,1,1,0,0,0|2,0,0]=4 505 B9R0.55 CC(=O)CCCCC(=O)O A43811 [0,1,1,0,0,0|0,0,1]=3 506 B9R0.7 CC(C)CC[C@@H](N)C(=O)O A43927 [0,1,1,0,0,0|1,0,0]=3 507 B9R0.7 C[C@H](CCC(=O)O)C(=O)O M62172 [0,1,1,0,0,0|1,0,1]=4 508 B9R0.8 CCCC[C@H](N)C(=O)OC M46518 [0,1,1,0,0,0|1,0,0]=3 509 B9R0.8 COC(=O)[C@@H](Br)CCCBr M41466 [0,1,1,0,0,0|2,0,0]=4 510 B9R0.13 CCCC[C@H](CC)C(=O)[O-] P46623 [0,1,1,0,0,0|0,0,1]=3 511 B9R0.42 COC(=O)C[C@@H](C)C(=O)O M41477 [0,1,1,0,0,0|1,0,1]=4 512 B9R0.39 CC(C)C[C@@H](CN)C(=O)O A43933 [0,1,1,0,0,0|1,0,0]=3 513 B9R0.39 CC(C)C[C@H](CN)C(=O)O A43932 [0,1,1,0,0,0|1,0,0]=3 514 B9R0.39 CC[C@@H](NC(C)=O)C(=O)O A41513 [0,1,1,0,0,0|1,0,1]=4 515 B9R1.1 C#C[C@H]1CC[C@H](N)CC1 E59721 [1,1,0,0,0,0|1,0,1]=4 516 B9R1.1 C#C[C@H]1CC[C@H](O)CC1 E60262 [1,1,0,0,0,0|1,0,1]=4 517 B9R1.1 CC1CCC(CO)CN1 M29794 [1,1,0,0,0,0|1,0,1]=4 518 B9R1.1 CCC1CCC(O)CC1 E47155 [1,1,0,0,0,0|1,0,1]=4 519 B9R1.1 CN1CCC(CO)CC1 M0388 [1,1,0,0,0,0|1,0,1]=4 520 B9R1.1 CNC1CCC(O)CC1 M43910 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 M11757 [1,1,0,0,0,0|2,0,0]=4 522 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 M46513 [1,1,0,0,0,0|2,0,0]=4 523 B9R1.1 CN[C@H]1CC[C@H](O)CC1 M11758 [1,1,0,0,0,0|2,0,0]=4 524 B9R1.1 CN[C@H]1CC[C@H](O)CC1 M26528 [1,1,0,0,0,0|2,0,0]=4 525 B9R1.1 COC1CCC(N)CC1 M43906 [1,1,0,0,0,0|2,0,0]=4 526 B9R1.1 COC1CCC(O)CC1 M43887 [1,1,0,0,0,0|2,0,0]=4 527 B9R1.1 CO[C@H]1CC[C@H](N)CC1 M43914 [1,1,0,0,0,0|2,0,0]=4 528 B9R1.1 CO[C@H]1CC[C@H](O)CC1 M43889 [1,1,0,0,0,0|2,0,0]=4 529 B9R1.1 N#CC1CCC(N)CC1 A46478 [1,1,0,0,0,0|1,0,1]=4 530 B9R1.1 N#CC1CCC(O)CC1 H43771 [1,1,0,0,0,0|1,0,1]=4 531 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 A13284 [1,1,0,0,0,0|1,0,1]=4 532 B9R1.1 NC[C@H]1CC[C@H](O)CC1 A10700 [1,1,0,0,0,0|1,0,1]=4 533 B9R1.1 NC[C@H]1CC[C@H](O)CC1 A18732 [1,1,0,0,0,0|1,0,1]=4 534 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 A12151 [1,1,0,0,0,0|0,0,1]=3 535 B9R1.1 N[C@H]1CC[C@H](CO)CC1 A12152 [1,1,0,0,0,0|0,0,1]=3 536 B9R1.1 N[C@H]1CC[C@H](CO)CC1 A19999 [1,1,0,0,0,0|0,0,1]=3 537 B9R1.1 O=CC1CCC(=O)CC1 X43715 [1,1,0,0,0,0|0,0,1]=3 538 B9R1.2 CC1CCCC(CO)N1 M13497 [1,1,0,0,0,0|1,0,1]=4 539 B9R1.2 CN1CCC[C@@H](CO)C1 M22241 [1,1,0,0,0,0|1,0,1]=4 540 B9R1.2 CN1CCC[C@H](CO)C1 M43913 [1,1,0,0,0,0|1,0,1]=4 541 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 M59938 [1,1,0,0,0,0|2,0,0]=4 542 B9R1.8 BrCCC1CCCCC1 B0374 [1,1,0,0,0,0|1,0,1]=4 543 B9R1.8 COCC1CCNCC1 M14337 [1,1,0,0,0,0|1,0,1]=4 544 B9R1.8 COCC1CCNCC1 M26475 [1,1,0,0,0,0|1,0,1]=4 545 B9R1.8 COC[C@H]1CCCCN1 M46509 [1,1,0,0,0,0|1,0,1]=4 546 B9R1.8 COC[C@H]1CCCCN1 M46512 [1,1,0,0,0,0|1,0,1]=4 547 B9R1.8 ICCC1CCCCC1 I0264 [1,1,0,0,0,0|1,0,1]=4 548 B9R1.8 N#CCC1CCCCC1 C47050 [1,1,0,0,0,0|1,0,1]=4 549 B9R1.8 NCCC1CCCCC1 C49581 [1,1,0,0,0,0|1,0,1]=4 550 B9R1.8 O=CCC1CCOCC1 T12448 [1,1,0,0,0,0|1,0,0]=3 551 B9R1.8 O=CCN1CCOCC1 M13720 [1,1,0,0,0,0|2,0,0]=4 552 B9R1.8 OCCC1CCNCC1 P24598 [1,1,0,0,0,0|1,0,1]=4 553 B9R1.8 OCCC1CCOCC1 H10319 [1,1,0,0,0,0|1,0,1]=4 554 B9R1.8 OCC[C@@H]1CCCCN1 P16189 [1,1,0,0,0,0|1,0,1]=4 555 B9R1.8 OCC[C@H]1CCCCN1 P39300 [1,1,0,0,0,0|1,0,1]=4 556 B9R1.8 OCC[C@H]1CCCCN1 P43911 [1,1,0,0,0,0|1,0,1]=4 557 B9R1.8 OCC[C@H]1CCCCN1 P46511 [1,1,0,0,0,0|1,0,1]=4 558 B9R1.8 OCC[C@H]1CCCNC1 P69769 [1,1,0,0,0,0|1,0,1]=4 559 B9R1.8 [Mg+]CCC1CCCCC1 C31709 [1,1,0,0,0,0|1,0,1]=4 560 B9R1.8 [N-]=[N+]=NC1CCCCC1 A5618 [1,1,0,0,0,0|2,0,0]=4 561 B9R1.15 CN1CCCC[C@@H]1CO M43912 [1,1,0,0,0,0|1,0,1]=4 562 B9R1.15 CN1CCCC[C@@H]1CO M43916 [1,1,0,0,0,0|1,0,1]=4 563 B9R1.15 CN1CCCC[C@H]1CO M43917 [1,1,0,0,0,0|1,0,1]=4 564 B9R1.15 O=CC1=C(Cl)CCCC1 C46451 [1,1,0,0,0,0|0,0,2]=4 565 B9R1.15 OC[C@@H]1CCNC[C@@H]1O H15443 [1,1,0,0,0,0|1,0,1]=4 566 B9R1.15 OC[C@@H]1CCNC[C@H]1O H15444 [1,1,0,0,0,0|1,0,1]=4 567 B9R1.15 OC[C@H]1CCNC[C@H]1F F1908 [1,1,0,0,0,0|1,0,1]=4 568 B9R1.118 CC1(C=O)CCOCC1 M29900 [1,1,0,0,0,0|1,0,0]=3 569 B9R1.118 CC1(CO)CCNCC1 H7952 [1,1,0,0,0,0|1,0,1]=4 570 B9R1.118 CC1(CO)CCOCC1 H14518 [1,1,0,0,0,0|1,0,1]=4 571 B9R1.118 C[C@]1(CO)CCCNC1 H1804 [1,1,0,0,0,0|1,0,1]=4 572 B9R1.118 C[C@]1(CO)CCCNC1 H7938 [1,1,0,0,0,0|1,0,1]=4 573 B9R1.118 NC1(CO)CCOCC1 A1161 [1,1,0,0,0,0|1,0,1]=4 574 B9R1.118 NCC1(N)CCCCC1 A62273 [1,1,0,0,0,0|1,0,1]=4 575 B9R1.118 NCC1(O)CCCCC1 A63077 [1,1,0,0,0,0|1,0,1]=4 576 B9R1.118 OCC1(F)CCNCC1 F1707 [1,1,0,0,0,0|1,0,1]=4 577 B9R1.118 OCC1(F)CCNCC1 F36854 [1,1,0,0,0,0|1,0,1]=4 578 B9R1.118 OCC1(F)CCOCC1 H8035 [1,1,0,0,0,0|1,0,1]=4 579 B9R1.118 OCC1(O)CCNCC1 H0546 [1,1,0,0,0,0|1,0,1]=4 580 B9R1.118 OCC1(O)CCNCC1 H7646 [1,1,0,0,0,0|1,0,1]=4 581 B9R1.118 OC[C@]1(O)CCCNC1 H0769 [1,1,0,0,0,0|1,0,1]=4 582 B9R1.11 CNC(=O)[C@@H]1CCCN1 M43471 [0,1,0,0,1,0|2,0,0]=4 583 B9R1.11 COC(=O)C1=CCCC1 M43720 [0,1,0,0,1,0|0,0,2]=4 584 B9R1.11 COC(=O)C1CC=CC1 M13554 [0,1,0,0,1,0|0,0,2]=4 585 B9R1.11 COC(=O)C1CCCC1 M43805 [0,1,0,0,1,0|0,0,0]=2 586 B9R1.11 COC(=O)[C@@H]1CCCN1 M38491 [0,1,0,0,1,0|1,0,0]=3 587 B9R1.11 COC(=O)[C@@H]1CCNC1 M20211 [0,1,0,0,1,0|1,0,0]=3 588 B9R1.11 COC(=O)[C@@H]1CCNC1 M25987 [0,1,0,0,1,0|1,0,0]=3 589 B9R1.11 COC(=O)[C@@H]1CCOC1 M10323 [0,1,0,0,1,0|1,0,0]=3 590 B9R1.11 COC(=O)[C@H]1CCNC1 E6960 [0,1,0,0,1,0|1,0,0]=3 591 B9R1.11 COC(=O)[C@H]1CCNC1 M10274 [0,1,0,0,1,0|1,0,0]=3 592 B9R1.11 COC(=O)[C@H]1CCNC1 M20204 [0,1,0,0,1,0|1,0,0]=3 593 B9R1.11 COC(=O)[C@H]1CCNC1 P12312 [0,1,0,0,1,0|1,0,0]=3 594 B9R1.11 COC(=O)[C@H]1CCOC1 M12450 [0,1,0,0,1,0|1,0,0]=3 595 B9R1.11 COC(=O)[C@H]1CCOC1 M7564 [0,1,0,0,1,0|1,0,0]=3 596 B9R1.11 NNC(=O)[C@H]1CCOC1 T15050 [0,1,0,0,1,0|2,0,0]=4 597 B9R1.19 O=S(=O)(O)C1CCCC1 C29755 [0,1,0,0,1,0|1,0,0]=3 598 B9R1.35 CC(=O)N1CC[C@@H](O)C1 A7835 [0,1,0,0,1,0|2,0,0]=4 599 B9R1.35 CC(=O)N1CC[C@H](N)C1 A14633 [0,1,0,0,1,0|2,0,0]=4 600 B9R1.35 CC(=O)N1CC[C@H](O)C1 H41507 [0,1,0,0,1,0|2,0,0]=4 601 B9R1.35 CN1CC[C@@H](C(=O)O)C1 M14179 [0,1,0,0,1,0|1,0,0]=3 602 B9R1.35 CN1CC[C@@H](C(=O)O)C1 M27617 [0,1,0,0,1,0|1,0,0]=3 603 B9R1.35 CN1CC[C@H](C(=O)O)C1 M11319 [0,1,0,0,1,0|1,0,0]=3 604 B9R1.35 CN1CC[C@H](C(=O)O)C1 M23984 [0,1,0,0,1,0|1,0,0]=3 605 B9R1.35 CN1CC[C@H](C(=O)O)C1 M7624 [0,1,0,0,1,0|1,0,0]=3 606 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 M60259 [0,1,0,0,1,0|1,0,0]=3 607 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 M60278 [0,1,0,0,1,0|1,0,0]=3 608 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 F5735 [0,1,0,0,1,0|2,0,0]=4 609 B9R1.35 NC1CCC(C(=O)O)C1 A11845 [0,1,0,0,1,0|0,0,0]=2 610 B9R1.35 NC1CCC(C(=O)O)C1 A15670 [0,1,0,0,1,0|0,0,0]=2 611 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 A15249 [0,1,0,0,1,0|0,0,0]=2 612 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 A20649 [0,1,0,0,1,0|0,0,0]=2 613 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 A15248 [0,1,0,0,1,0|0,0,0]=2 614 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 A43449 [0,1,0,0,1,0|0,0,0]=2 615 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 A41383 [0,1,0,0,1,0|1,0,0]=3 616 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 A41384 [0,1,0,0,1,0|1,0,0]=3 617 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 A43384 [0,1,0,0,1,0|0,0,2]=4 618 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 A43553 [0,1,0,0,1,0|0,0,2]=4 619 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 A25040 [0,1,0,0,1,0|0,0,0]=2 620 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 A43450 [0,1,0,0,1,0|0,0,0]=2 621 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 A60941 [0,1,0,0,1,0|1,0,0]=3 622 B9R1.35 O=C(O)C1CCC(O)C1 H41473 [0,1,0,0,1,0|0,0,0]=2 623 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 F24489 [0,1,0,0,1,0|1,0,0]=3 624 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 F4406 [0,1,0,0,1,0|1,0,0]=3 625 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 H24020 [0,1,0,0,1,0|1,0,0]=3 626 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 H41377 [0,1,0,0,1,0|1,0,0]=3 627 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 S60350 [0,1,0,0,1,0|1,0,0]=3 628 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 F13520 [0,1,0,0,1,0|1,0,0]=3 629 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 F13680 [0,1,0,0,1,0|1,0,0]=3 630 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 H41378 [0,1,0,0,1,0|1,0,0]=3 631 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 M15630 [0,1,0,0,1,0|1,0,0]=3 632 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 F13522 [0,1,0,0,1,0|1,0,0]=3 633 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 F20223 [0,1,0,0,1,0|1,0,0]=3 634 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 H15420 [0,1,0,0,1,0|1,0,0]=3 635 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 H29938 [0,1,0,0,1,0|1,0,0]=3 636 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 F13521 [0,1,0,0,1,0|1,0,0]=3 637 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 F4408 [0,1,0,0,1,0|1,0,0]=3 638 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 H41373 [0,1,0,0,1,0|1,0,0]=3 639 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 X15326 [0,1,0,0,1,0|0,0,1]=3 640 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X22343 [0,1,0,0,1,0|1,0,1]=4 641 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X38776 [0,1,0,0,1,0|1,0,1]=4 642 B9R1.35 O=C1CC[C@@H](C(=O)O)S1 X10747 [0,1,0,0,1,0|1,0,1]=4 643 B9R1.35 O=C1CC[C@H](C(=O)O)C1 O7893 [0,1,0,0,1,0|0,0,1]=3 644 B9R1.35 O=C1CC[C@H](C(=O)O)C1 X15325 [0,1,0,0,1,0|0,0,1]=3 645 B9R1.35 O=C1CC[C@H](C(=O)O)O1 X37943 [0,1,0,0,1,0|1,0,1]=4 646 B9R1.35 O=C1CN[C@H](C(=O)O)C1 X30036 [0,1,0,0,1,0|1,0,1]=4 647 B9R1.35 O=C1C[C@H](C(=O)O)CN1 X13558 [0,1,0,0,1,0|1,0,1]=4 648 B9R1.41 CN1CCC[C@@H]1C(=O)O M24378 [0,1,0,0,1,0|1,0,0]=3 649 B9R1.41 CN1CCC[C@@H]1C(=O)O M29559 [0,1,0,0,1,0|1,0,0]=3 650 B9R1.41 CN1CCC[C@@H]1C(=O)O M43438 [0,1,0,0,1,0|1,0,0]=3 651 B9R1.41 CN1CCC[C@H]1C(=O)O M22169 [0,1,0,0,1,0|1,0,0]=3 652 B9R1.41 CN1CCC[C@H]1C(=O)O M24873 [0,1,0,0,1,0|1,0,0]=3 653 B9R1.41 CN1CCC[C@H]1C(=O)O M43447 [0,1,0,0,1,0|1,0,0]=3 654 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O A23278 [0,1,0,0,1,0|0,0,0]=2 655 B9R1.41 O=C(O)[C@@H]1CCNC1=O X15532 [0,1,0,0,1,0|1,0,1]=4 656 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H13252 [0,1,0,0,1,0|1,0,0]=3 657 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H23787 [0,1,0,0,1,0|1,0,0]=3 658 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H27028 [0,1,0,0,1,0|1,0,0]=3 659 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H27029 [0,1,0,0,1,0|1,0,0]=3 660 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O H13665 [0,1,0,0,1,0|1,0,0]=3 661 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O H27030 [0,1,0,0,1,0|1,0,0]=3 662 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O H14383 [0,1,0,0,1,0|1,0,0]=3 663 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O H27031 [0,1,0,0,1,0|1,0,0]=3 664 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O H13249 [0,1,0,0,1,0|1,0,0]=3 665 B9R1.163 C[C@@]1(C(=O)O)CCCN1 M20146 [0,1,0,0,1,0|1,0,0]=3 666 B9R1.163 C[C@]1(C(=O)O)CCCN1 M17794 [0,1,0,0,1,0|1,0,0]=3 667 B9R1.163 C[C@]1(C(=O)O)CCCN1 M7933 [0,1,0,0,1,0|1,0,0]=3 668 B9R1.163 C[C@]1(C(=O)O)CCNC1 M62974 [0,1,0,0,1,0|1,0,0]=3 669 B9R1.163 C[C@]1(C(=O)O)CCOC1 M11773 [0,1,0,0,1,0|1,0,0]=3 670 B9R1.163 NC(=O)C1(N)CCCC1 A41537 [0,1,0,0,1,0|1,0,0]=3 671 B9R1.163 N[C@@]1(C(=O)O)CCNC1 A65489 [0,1,0,0,1,0|1,0,0]=3 672 B9R1.163 N[C@@]1(C(=O)O)CCOC1 A0696 [0,1,0,0,1,0|1,0,0]=3 673 B9R1.163 N[C@@]1(C(=O)O)CCOC1 A60223 [0,1,0,0,1,0|1,0,0]=3 674 B9R1.163 N[C@@]1(C(=O)O)CCOC1 A64109 [0,1,0,0,1,0|1,0,0]=3 675 B9R1.163 N[C@]1(C(=O)O)CCOC1 A60224 [0,1,0,0,1,0|1,0,0]=3 676 B9R1.163 O=C(O)C1(F)CCCC1 F38406 [0,1,0,0,1,0|0,0,0]=2 677 B9R1.163 O=C(O)C1(O)CCCC1 H41472 [0,1,0,0,1,0|0,0,0]=2 678 B9R1.163 O=C(O)[C@]1(F)CCNC1 F14431 [0,1,0,0,1,0|1,0,0]=3 679 B11R1.20 CC(=O)N[C@H]1CC[C@H](O)CC1 H47124 [0,1,0,0,0,1|1,0,0]=3 680 B11R1.20 CC(=O)OC1CCC(=O)CC1 X47022 [0,1,0,0,0,1|1,0,1]=4 681 B11R1.20 CC1CCC(CC(=O)O)CC1 M63198 [0,1,0,0,0,1|0,0,0]=2 682 B11R1.20 CN1CCC(CC(=O)O)CC1 M11229 [0,1,0,0,0,1|1,0,0]=3 683 B11R1.20 CN1CCN(CC(=O)O)CC1 M24200 [0,1,0,0,0,1|2,0,0]=4 684 B11R1.20 N[C@H]1CC[C@H](CC(=O)O)CC1 A25282 [0,1,0,0,0,1|0,0,0]=2 685 B11R1.20 O=C(O)CC1CCC(O)CC1 H39090 [0,1,0,0,0,1|0,0,0]=2 686 B11R1.20 O=C(O)CN1CCC(=O)CC1 X43776 [0,1,0,0,0,1|1,0,1]=4 687 B11R1.36 CC(=O)N(C)C1CCNCC1 M13072 [0,1,0,0,0,1|2,0,0]=4 688 B11R1.36 CC(=O)N(C)[C@@H]1CCCNC1 M13074 [0,1,0,0,0,1|2,0,0]=4 689 B11R1.36 CC(=O)N(C)[C@H]1CCCNC1 M13073 [0,1,0,0,0,1|2,0,0]=4 690 B11R1.36 CC(=O)N(C)[C@H]1CCCNC1 M13075 [0,1,0,0,0,1|2,0,0]=4 691 B11R1.36 CC(=O)N(C)[C@H]1CCCNC1 M30094 [0,1,0,0,0,1|2,0,0]=4 692 B11R1.36 C[C@H](C(=O)O)C1CCCCC1 C50503 [0,1,0,0,0,1|0,0,0]=2 693 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 A61536 [0,1,0,0,0,1|0,0,0]=2 694 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 A64974 [0,1,0,0,0,1|0,0,0]=2 695 B11R1.36 N[C@@H](C(=O)O)C1CCOCC1 A43858 [0,1,0,0,0,1|1,0,0]=3 696 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 A24313 [0,1,0,0,0,1|0,0,0]=2 697 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 A49569 [0,1,0,0,0,1|0,0,0]=2 698 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 A66203 [0,1,0,0,0,1|0,0,0]=2 699 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 A64837 [0,1,0,0,0,1|1,0,0]=3 700 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 T12042 [0,1,0,0,0,1|1,0,0]=3 701 B11R1.36 O=C(O)C(=O)C1CCCCC1 C23673 [0,1,0,0,0,1|0,0,0]=2 702 B11R1.40 COC(=O)CC1CCNCC1 M49566 [0,1,0,0,0,1|1,0,0]=3 703 B11R1.40 COC(=O)CC1CCOCC1 M20436 [0,1,0,0,0,1|1,0,0]=3 704 B11R1.928 NC1(CC(=O)O)CCCCC1 A47122 [0,1,0,0,0,1|0,0,0]=2 705 B11R1.852 COC(=O)[C@H]1CCCNCC1 M15039 [0,1,0,0,0,1|0,0,0]=2 706 B11R1.3 CC(=O)N1CCC(CN)CC1 A13458 [0,2,0,0,0,0|2,0,0]=4 707 B11R1.3 CCC1CCC(C(=O)O)CC1 E50505 [0,2,0,0,0,0|0,0,0]=2 708 B11R1.3 CC[C@H]1CC[C@H](C(=O)O)CC1 E50506 [0,2,0,0,0,0|0,0,0]=2 709 B11R1.3 CNC1CCN(C(C)=O)CC1 M49578 [0,2,0,0,0,0|2,0,0]=4 710 B11R1.3 CO[C@H]1CC[C@H](C(=O)O)CC1 M25143 [0,2,0,0,0,0|0,0,0]=2 711 B11R1.3 O=C(O)[C@H]1CC[C@@H](CO)CC1 H62147 [0,2,0,0,0,0|0,0,0]=2 712 B11R1.3 O=C(O)[C@H]1CC[C@H](CO)CC1 H24783 [0,2,0,0,0,0|0,0,0]=2 713 B11R1.3 O=CN1CCC(C(=O)O)CC1 F11011 [0,2,0,0,0,0|1,0,0]=3 714 B11R1.19 CC(C)(O)[C@H]1CC[C@H](N)CC1 A7845 [0,2,0,0,0,0|1,0,1]=4 715 B11R1.21 CN1CC[C@H](C(=O)O)CC1=O M0207 [0,2,0,0,0,0|1,0,1]=4 716 B11R1.21 CN1C[C@@H](C(=O)O)CCC1=O M12741 [0,2,0,0,0,0|1,0,1]=4 717 B11R1.22 CNC(=O)[C@H]1CC[C@@H](N)CC1 A65469 [0,2,0,0,0,0|1,0,0]=3 718 B11R1.22 COC(=O)C1CCC(=O)CC1 M47024 [0,2,0,0,0,0|0,0,1]=3 719 B11R1.22 COC(=O)C1CCC(N)CC1 M47125 [0,2,0,0,0,0|0,0,0]=2 720 B11R1.22 COC(=O)C1CCC(O)CC1 M8610 [0,2,0,0,0,0|0,0,0]=2 721 B11R1.22 COC(=O)C1CCN(C)CC1 M21735 [0,2,0,0,0,0|1,0,0]=3 722 B11R1.22 COC(=O)N1CCC(=O)CC1 M43780 [0,2,0,0,0,0|1,0,1]=4 723 B11R1.22 COC(=O)N1CCC(N)CC1 M43878 [0,2,0,0,0,0|1,0,0]=3 724 B11R1.22 COC(=O)[C@@H]1CC[C@@H](C)NC1 M29475 [0,2,0,0,0,0|1,0,0]=3 725 B11R1.22 COC(=O)[C@@H]1CC[C@@H](C)NC1 M29476 [0,2,0,0,0,0|1,0,0]=3 726 B11R1.22 COC(=O)[C@@H]1CC[C@H](C)NC1 M66014 [0,2,0,0,0,0|1,0,0]=3 727 B11R1.22 COC(=O)[C@@H]1CC[C@H](O)CN1 M14678 [0,2,0,0,0,0|1,0,0]=3 728 B11R1.22 COC(=O)[C@H]1CCC(=O)NC1 M0586 [0,2,0,0,0,0|1,0,1]=4 729 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 M11802 [0,2,0,0,0,0|1,0,0]=3 730 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 M66013 [0,2,0,0,0,0|1,0,0]=3 731 B11R1.22 COC(=O)[C@H]1CC[C@@H](N)CC1 M12150 [0,2,0,0,0,0|0,0,0]=2 732 B11R1.22 COC(=O)[C@H]1CC[C@@H](O)CC1 M13282 [0,2,0,0,0,0|0,0,0]=2 733 B11R1.22 COC(=O)[C@H]1CC[C@H](C)NC1 M60290 [0,2,0,0,0,0|1,0,0]=3 734 B11R1.22 COC(=O)[C@H]1CC[C@H](N)CC1 M1501 [0,2,0,0,0,0|0,0,0]=2 735 B11R1.22 COC(=O)[C@H]1CC[C@H](O)CC1 M13283 [0,2,0,0,0,0|0,0,0]=2 736 B11R1.166 C[C@@H]1CC(=O)CC[C@H]1C(=O)O M59967 [0,2,0,0,0,0|0,0,1]=3 737 B11R1.166 C[C@H]1CC(=O)CC[C@H]1C(=O)O M60235 [0,2,0,0,0,0|0,0,1]=3 738 B11R1.220 CC1(C(=O)O)CCC(=O)CC1 M22599 [0,2,0,0,0,0|0,0,1]=3 739 B11R1.220 C[C@]1(C(=O)O)CC[C@H](O)CC1 H60197 [0,2,0,0,0,0|0,0,0]=2 740 B11R1.727 CC(=O)C1CCC(F)(F)CC1 D17611 [0,2,0,0,0,0|1,0,0]=3 741 B11R1.727 O=C(O)C1CCC(F)(F)CC1 D14122 [0,2,0,0,0,0|0,0,0]=2 742 B11R1.727 O=C(O)C1CCS(=O)(=O)CC1 D8036 [0,2,0,0,0,0|1,0,0]=3 743 B11R1.727 O=C(O)[C@@H]1CCC(F)(F)CN1 D11005 [0,2,0,0,0,0|1,0,0]=3 744 B11R1.16 CCOC(=O)C1CCNCC1 E29669 [0,2,0,0,0,0|1,0,0]=3 745 B11R1.16 CCOC(=O)C1CCNCC1 P28285 [0,2,0,0,0,0|1,0,0]=3 746 B11R1.16 CCOC(=O)C1CCOCC1 E47102 [0,2,0,0,0,0|1,0,0]=3 747 B11R1.16 CCOC(=O)C1OCCCO1 D10084 [0,2,0,0,0,0|2,0,0]=4 748 B11R1.16 CCOC(=O)C1SCCCS1 D10076 [0,2,0,0,0,0|2,0,0]=4 749 B11R1.16 CCOC(=O)N1CCCCC1 E47120 [0,2,0,0,0,0|1,0,0]=3 750 B11R1.16 CCOC(=O)N1CCNCC1 E39297 [0,2,0,0,0,0|2,0,0]=4 751 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 E47117 [0,2,0,0,0,0|1,0,0]=3 752 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 E49565 [0,2,0,0,0,0|1,0,0]=3 753 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 E49567 [0,2,0,0,0,0|1,0,0]=3 754 B11R1.16 CCOC(=O)[C@@H]1CCCCO1 E63418 [0,2,0,0,0,0|1,0,0]=3 755 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 D21711 [0,2,0,0,0,0|1,0,0]=3 756 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 E1816 [0,2,0,0,0,0|1,0,0]=3 757 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 E22645 [0,2,0,0,0,0|1,0,0]=3 758 B11R1.16 CCOC(=O)[C@@H]1CNCCN1 E46602 [0,2,0,0,0,0|2,0,0]=4 759 B11R1.16 CCOC(=O)[C@@H]1CNCCO1 E43856 [0,2,0,0,0,0|2,0,0]=4 760 B11R1.16 CCOC(=O)[C@@H]1COCCN1 E46494 [0,2,0,0,0,0|2,0,0]=4 761 B11R1.16 CCOC(=O)[C@H]1CCCNC1 D25574 [0,2,0,0,0,0|1,0,0]=3 762 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E1843 [0,2,0,0,0,0|1,0,0]=3 763 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E23938 [0,2,0,0,0,0|1,0,0]=3 764 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E39525 [0,2,0,0,0,0|1,0,0]=3 765 B11R1.16 N#CCC(=O)C1CCOCC1 X12641 [0,2,0,0,0,0|2,0,0]=4 766 B11R1.23 COC(=O)C1CC(O)CCN1 M43857 [0,2,0,0,0,0|1,0,0]=3 767 B11R1.23 COC(=O)C1CCCC(O)C1 M47101 [0,2,0,0,0,0|0,0,0]=2 768 B11R1.23 COC(=O)C1CNCC(C)C1 M9144 [0,2,0,0,0,0|1,0,0]=3 769 B11R1.23 COC(=O)[C@@H]1CC(=O)CCN1 O7322 [0,2,0,0,0,0|1,0,1]=4 770 B11R1.23 COC(=O)[C@@H]1CCC[C@H](O)C1 M24974 [0,2,0,0,0,0|0,0,0]=2 771 B11R1.23 COC(=O)[C@@H]1CCN[C@H](C)C1 M11586 [0,2,0,0,0,0|1,0,0]=3 772 B11R1.23 COC(=O)[C@@H]1CCN[C@H](C)C1 M60158 [0,2,0,0,0,0|1,0,0]=3 773 B11R1.23 COC(=O)[C@H]1CCCC(=O)C1 M47023 [0,2,0,0,0,0|0,0,1]=3 774 B11R1.23 COC(=O)[C@H]1CCC[C@@H](O)C1 M20059 [0,2,0,0,0,0|0,0,0]=2 775 B11R1.23 COC(=O)[C@H]1CCNC(=O)C1 M7686 [0,2,0,0,0,0|1,0,1]=4 776 B11R1.23 COC(=O)[C@H]1CNC[C@@H](C)C1 M21608 [0,2,0,0,0,0|1,0,0]=3 777 B11R1.222 COC(=O)C1CCNCC1F M59820 [0,2,0,0,0,0|1,0,0]=3 778 B11R1.222 COC(=O)C1CNCCC1O M46495 [0,2,0,0,0,0|1,0,0]=3 779 B11R1.222 COC(=O)[C@@H]1CCCCC1=O M23599 [0,2,0,0,0,0|0,0,1]=3 780 B11R1.222 COC(=O)[C@@H]1CCCNC1=O M43779 [0,2,0,0,0,0|1,0,1]=4 781 B11R1.222 COC(=O)[C@@H]1CNCCC1=O M46477 [0,2,0,0,0,0|1,0,1]=4 782 B11R1.222 COC(=O)[C@@H]1CNCCN1C M43879 [0,2,0,0,0,0|2,0,0]=4 783 B11R1.222 COC(=O)[C@@H]1COCCC1=O M18404 [0,2,0,0,0,0|1,0,1]=4 784 B11R1.222 COC(=O)[C@@H]1COCC[C@@H]1N M32271 [0,2,0,0,0,0|1,0,0]=3 785 B11R1.222 COC(=O)[C@@H]1CSCCC1=O M8265 [0,2,0,0,0,0|1,0,1]=4 786 B11R1.878 COC(=O)C1(C)CCNCC1 M12045 [0,2,0,0,0,0|1,0,0]=3 787 B11R1.878 COC(=O)C1(C)CCOCC1 M8033 [0,2,0,0,0,0|1,0,0]=3 788 B11R1.878 COC(=O)C1(F)CCOCC1 M11565 [0,2,0,0,0,0|1,0,0]=3 789 B11R1.878 COC(=O)C1(N)CCCCC1 M49571 [0,2,0,0,0,0|0,0,0]=2 790 B11R1.878 COC(=O)C1(N)CCOCC1 M12044 [0,2,0,0,0,0|1,0,0]=3 791 B11R1.878 COC(=O)C1(N)CCOCC1 M29746 [0,2,0,0,0,0|1,0,0]=3 792 B11R1.878 COC(=O)C1(O)CCNCC1 M46496 [0,2,0,0,0,0|1,0,0]=3 793 B11R1.878 COC(=O)C1(O)CCOCC1 M12108 [0,2,0,0,0,0|1,0,0]=3 794 B11R1.878 COC(=O)[C@@]1(C)CCCNC1 M11316 [0,2,0,0,0,0|1,0,0]=3 795 B11R1.878 COC(=O)[C@]1(C)COCCN1 M10768 [0,2,0,0,0,0|2,0,0]=4 796 B11R1.878 COC(=O)[C@]1(O)CCCNC1 M37711 [0,2,0,0,0,0|1,0,0]=3 797 B11R1.167 CN1CCN(C)[C@H](C(=O)O)C1 D63116 [0,2,0,0,0,0|2,0,0]=4 798 B11R1.177 CC1(C)SCCN[C@@H]1C(=O)O D10977 [0,2,0,0,0,0|2,0,0]=4 799 B11R1.177 O=C(O)[C@H]1CCNCC1(F)F D60310 [0,2,0,0,0,0|1,0,0]=3 800 B11R1.74 O=C1CC(=O)CC(C(=O)O)C1 D62166 [0,2,0,0,0,0|0,0,2]=4 801 B11R1.730 O=C(O)[C@@H]1CNCC(F)(F)C1 D28091 [0,2,0,0,0,0|1,0,0]=3 802 B11R1.730 O=C(O)[C@@H]1CNCC(F)(F)C1 D37809 [0,2,0,0,0,0|1,0,0]=3 803 B11R1.1074 COC1(C(=O)O)CCNCC1 M18206 [0,2,0,0,0,0|1,0,0]=3 804 B11R1.1074 N#CC1(C(=O)O)CCOCC1 C46433 [0,2,0,0,0,0|1,0,0]=3 805 B9R1.7 CCC[C@H]1COC(=O)C1 P43806 [0,0,1,1,0,0|2,0,0]=4 806 B9R1.13 O=C(Cl)OC1CCCC1 C43402 [0,0,1,1,0,0|2,0,0]=4 807 B9R1.13 O=C(O)CC1CCCC1 C16642 [0,0,1,1,0,0|0,0,0]=2 808 B9R1.13 O=C(O)CN1CCCC1 P41503 [0,0,1,1,0,0|1,0,0]=3 809 B9R1.13 O=C(O)CN1CCCC1 P43441 [0,0,1,1,0,0|1,0,0]=3 810 B9R1.13 O=C(O)C[C@@H]1CCCN1 H14057 [0,0,1,1,0,0|1,0,0]=3 811 B9R1.13 O=C(O)C[C@@H]1CCCN1 P41505 [0,0,1,1,0,0|1,0,0]=3 812 B9R1.13 O=C(O)C[C@@H]1CCNC1 P14180 [0,0,1,1,0,0|1,0,0]=3 813 B9R1.13 O=C(O)C[C@H]1CCCN1 H14056 [0,0,1,1,0,0|1,0,0]=3 814 B9R1.13 O=C(O)C[C@H]1CCCN1 P43445 [0,0,1,1,0,0|1,0,0]=3 815 B9R1.13 O=C(O)C[C@H]1CCCN1 P69047 [0,0,1,1,0,0|1,0,0]=3 816 B9R1.13 O=C(O)C[C@H]1CCNC1 P10341 [0,0,1,1,0,0|1,0,0]=3 817 B9R1.13 O=C(O)C[C@H]1CCNC1 P14181 [0,0,1,1,0,0|1,0,0]=3 818 B9R1.13 O=C(O)C[C@H]1CCNC1 P43442 [0,0,1,1,0,0|1,0,0]=3 819 B9R1.13 O=C(O)C[C@H]1CCOC1 X19979 [0,0,1,1,0,0|1,0,0]=3 820 B9R1.50 O=C1CCCCCCC1 C67881 [0,0,1,1,0,0|1,0,0]=3 821 B9R1.50 O=C1CCCCCCN1 A69570 [0,0,1,1,0,0|1,0,0]=3 822 B9R1.96 CCC1CN[C@@H]1C(=O)O A30119 [0,0,1,1,0,0|1,0,0]=3 823 B9R1.96 CCN1CC[C@H]1C(=O)O E29784 [0,0,1,1,0,0|1,0,0]=3 824 B9R1.5 CN1CCCCCC1=O M39292 [0,0,1,1,0,0|2,0,0]=4 825 B9R1.5 N[C@@H]1CCCCNC1=O A43466 [0,0,1,1,0,0|2,0,0]=4 826 B9R1.5 N[C@H]1CCCCNC1=O A24830 [0,0,1,1,0,0|2,0,0]=4 827 B9R1.5 N[C@H]1CCCCNC1=O A43463 [0,0,1,1,0,0|2,0,0]=4 828 B9R1.95 COC1CC(C(=O)O)C1 M11729 [0,0,1,1,0,0|1,0,0]=3 829 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 M11730 [0,0,1,1,0,0|1,0,0]=3 830 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 M11731 [0,0,1,1,0,0|1,0,0]=3 831 B9R1.95 NCC1CC(C(=O)O)C1 A15397 [0,0,1,1,0,0|1,0,0]=3 832 B9R1.95 NCC1CC(C(=O)O)C1 A30087 [0,0,1,1,0,0|1,0,0]=3 833 B9R1.95 O=C(O)C1CC(CO)C1 H11330 [0,0,1,1,0,0|1,0,0]=3 834 B9R1.110 CC(C(=O)O)C1CCO1 X59781 [0,0,1,1,0,0|1,0,0]=3 835 B9R1.110 N[C@@H](C(=O)O)C1CCC1 A12996 [0,0,1,1,0,0|1,0,0]=3 836 B9R1.110 N[C@@H](C(=O)O)C1COC1 A8466 [0,0,1,1,0,0|2,0,0]=4 837 B9R1.110 N[C@H](C(=O)O)C1CCC1 A10555 [0,0,1,1,0,0|1,0,0]=3 838 B9R1.110 N[C@H](C(=O)O)C1CCC1 A12995 [0,0,1,1,0,0|1,0,0]=3 839 B9R1.110 N[C@H](C(=O)O)C1COC1 A8464 [0,0,1,1,0,0|2,0,0]=4 840 B9R1.110 N[C@H](C(=O)O)C1COC1 A8465 [0,0,1,1,0,0|2,0,0]=4 841 B9R1.112 N[C@@H](CC1CC1)C(=O)O A41508 [0,0,1,1,0,0|1,0,0]=3 842 B9R1.112 N[C@H](CC1CC1)C(=O)O C68587 [0,0,1,1,0,0|1,0,0]=3 843 B9R1.33 NCCN1CCOC1=O A61391 [0,0,1,1,0,0|2,0,0]=4 844 B9R1.119 CCC1(C(=O)O)COC1 E6215 [0,0,1,1,0,0|1,0,0]=3 845 B9R1.119 CCC1(C(C)=O)COC1 E8500 [0,0,1,1,0,0|2,0,0]=4 846 B9R1.119 CC[C@@]1(C(=O)O)CCO1 E60473 [0,0,1,1,0,0|1,0,0]=3 847 B9R1.119 COC1(C(=O)O)CNC1 M11827 [0,0,1,1,0,0|2,0,0]=4 848 B9R1.179 NCCC1(C(=O)O)CC1 A29654 [0,0,1,1,0,0|1,0,0]=3 849 B9R1.179 NCCC1(C(=O)O)CC1 A31056 [0,0,1,1,0,0|1,0,0]=3 850 B9R2.49 C1CC2CCC1CN2 A11448 [1,0,0,1,0,0|1,0,1]=4 851 B9R2.49 C1CC2CCC1CN2 A8975 [1,0,0,1,0,0|1,0,1]=4 852 B9R2.49 C1CC2CNC1CO2 X11762 [1,0,0,1,0,0|1,0,1]=4 853 B9R2.53 O=C1C2CNCC1C2 A20053 [1,0,0,1,0,0|1,0,0]=3 854 B9R2.53 OC1C2CNCC1C2 A13735 [1,0,0,1,0,0|1,0,1]=4 855 B9R2.53 OC1C2CNCC1C2 A7297 [1,0,0,1,0,0|1,0,1]=4 856 B9R2.56 OCC12CNCC1C2 A11517 [1,0,0,1,0,0|1,0,1]=4 857 B9R2.56 OCC12CNCC1C2 A14525 [1,0,0,1,0,0|1,0,1]=4 858 B9R2.65 OC[C@@H]1[C@H]2CNC[C@H]21 A10413 [1,0,0,1,0,0|1,0,1]=4 859 B9R2.65 OC[C@H]1[C@@H]2COC[C@H]12 X10839 [1,0,0,1,0,0|1,0,1]=4 860 B9R2.65 OC[C@H]1[C@H]2CNC[C@@H]12 E13455 [1,0,0,1,0,0|1,0,1]=4 861 B9R2.65 OC[C@H]1[C@H]2CNC[C@@H]12 E31654 [1,0,0,1,0,0|1,0,1]=4 862 B9R2.70 OC[C@H]1NC[C@@H]2C[C@H]12 A30151 [1,0,0,1,0,0|1,0,1]=4 863 B9R2.70 OC[C@H]1NC[C@H]2C[C@H]21 A1762 [1,0,0,1,0,0|1,0,1]=4 864 B9R2.70 OC[C@H]1NC[C@H]2C[C@H]21 A27172 [1,0,0,1,0,0|1,0,1]=4 865 B9R2.123 NC1C2CCCCC12 B60253 [1,0,0,1,0,0|1,0,1]=4 866 B9R2.174 C1CC2(CCO1)CO2 D22002 [1,0,0,1,0,0|1,0,1]=4 867 B9R2.39 O=C1NC2CCC1C2 A64651 [0,0,0,1,1,0|1,0,0]=3 868 B9R2.39 O=C1OC2CCC1C2 X31814 [0,0,0,1,1,0|0,0,0]=2 869 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 X43582 [0,0,0,1,1,0|1,0,0]=3 870 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1C2 B62162 [0,0,0,1,1,0|1,0,1]=4 871 B11R2.10 O=C1NC2CCNCC2O1 X19636 [0,0,0,1,0,1|1,0,0]=3 872 B11R2.10 S=C1NC2CCCCC2N1 H43795 [0,0,0,1,0,1|1,1,0]=4 873 B11R2.433 O=C1CC2CCN(CC2)C1 A12979 [0,0,0,1,0,1|2,0,0]=4 874 B11R2.678 O=C1C[C@@H]2CCC[C@H](C1)N2 A14879 [0,0,0,1,0,1|2,0,0]=4 875 B11R2.703 O=C1CC2(CCNCC2)C1 A19336 [0,0,0,1,0,1|2,0,0]=4 876 B11R2.703 O=C1CC2(CCNCC2)N1 D60725 [0,0,0,1,0,1|2,0,0]=4 877 B11R2.703 O=C1CC2(CCOCC2)C1 X18768 [0,0,0,1,0,1|2,0,0]=4 878 B11R2.824 O=C(O)[C@@H]1C2CCN1CC2 A64985 [0,0,0,1,0,1|1,0,0]=3 879 B11R2.860 O=C(O)C[C@H]1[C@@H]2COC[C@@H]21 X10890 [0,0,0,1,0,1|1,0,0]=3 880 B11R2.1824 CC(=O)N1C2CNCC1C2 D60363 [0,0,0,1,0,1|2,0,0]=4 881 B11R2.1824 O=C(O)C1C2CNCC1C2 A13186 [0,0,0,1,0,1|1,0,0]=3 882 B11R2.813 O=C(O)C12CNCCC1C2 A62409 [0,0,0,1,0,1|0,0,0]=2 883 B11R2.822 O=C(O)[C@@H]1NC[C@@H]2CC[C@@H]21 A59770 [0,0,0,1,0,1|0,0,0]=2 884 B11R2.822 O=C(O)[C@H]1NC[C@@H]2CC[C@H]12 A59667 [0,0,0,1,0,1|0,0,0]=2 885 B11R2.1 O=C1NC[C@@H]2CCNC[C@H]12 O1562 [0,1,0,1,0,0|2,0,0]=4 886 B11R2.1 O=C1NC[C@H]2CCNC[C@@H]12 X14209 [0,1,0,1,0,0|2,0,0]=4 887 B11R2.1 O=C1OC[C@@H]2CNCCN12 H13025 [0,1,0,1,0,0|2,0,0]=4 888 B11R2.1 O=C1OC[C@H]2CNCCN12 H8753 [0,1,0,1,0,0|2,0,0]=4 889 B11R2.12 O=C1NCC12CCNCC2 D13655 [0,1,0,1,0,0|2,0,0]=4 890 B11R2.12 O=C1NCC12CCNCC2 D30159 [0,1,0,1,0,0|2,0,0]=4 891 B11R2.895 COC(=O)C12CNCC1C2 M20319 [0,1,0,1,0,0|1,0,0]=3 892 B11R2.905 COC(=O)[C@@H]1[C@H]2CNC[C@H]21 M13240 [0,1,0,1,0,0|1,0,0]=3 893 B11R2.911 COC(=O)[C@H]1NC[C@@H]2CC12 A15435 [0,1,0,1,0,0|1,0,0]=3 894 B11R2.911 COC(=O)[C@H]1NC[C@H]2C[C@H]21 A8246 [0,1,0,1,0,0|1,0,0]=3 895 B11R2.914 COC(=O)C1CC2OC2C1 M13555 [0,1,0,1,0,0|1,0,0]=3 896 B11R2.914 COC(=O)C1C[C@@H]2O[C@@H]2C1 M29970 [0,1,0,1,0,0|1,0,0]=3 897 B11R2.845 O=C(O)C1CC2C=CC1C2 B46835 [0,1,0,1,0,0|0,0,2]=4 898 B11R2.845 O=C(O)C1CC2CNC1C2 A30141 [0,1,0,1,0,0|1,0,0]=3 899 B11R2.845 O=C(O)C1NC2CCC1C2 A15364 [0,1,0,1,0,0|1,0,0]=3 900 B11R2.845 O=C(O)[C@@H]1NC2CCC1C2 A15368 [0,1,0,1,0,0|1,0,0]=3 901 B11R2.845 O=C(O)[C@@H]1N[C@H]2CC[C@@H]1C2 A59859 [0,1,0,1,0,0|1,0,0]=3 902 B11R2.845 O=C(O)[C@H]1C[C@H]2CCN1C2 A64984 [0,1,0,1,0,0|1,0,0]=3 903 B11R2.845 O=C(O)[C@H]1NC2CCC1C2 A15367 [0,1,0,1,0,0|1,0,0]=3 904 B11R2.1826 O=C(O)C12CC(CCN1)C2 A15269 [0,1,0,1,0,0|1,0,0]=3 905 B7R1.1 BrCC1CCCC1 B23399 [1,0,0,0,1,0|1,0,1]=4 906 B7R1.1 NCC1CCCC1 C5395 [1,0,0,0,1,0|1,0,1]=4 907 B7R1.1 NNC1CCCC1 C22580 [1,0,0,0,1,0|2,0,0]=4 908 B7R1.1 O=CC1=CCCC1 C69466 [1,0,0,0,1,0|0,0,2]=4 909 B7R1.1 O=CC1CCCC1 C25963 [1,0,0,0,1,0|0,0,0]=2 910 B7R1.1 OCC1CCCC1 C23297 [1,0,0,0,1,0|0,0,1]=3 911 B7R1.1 OC[C@@H]1CCCN1 P1125 [1,0,0,0,1,0|1,0,1]=4 912 B7R1.1 OC[C@@H]1CCCN1 P1542 [1,0,0,0,1,0|1,0,1]=4 913 B7R1.1 OC[C@@H]1CCCO1 T40383 [1,0,0,0,1,0|1,0,1]=4 914 B7R1.1 OC[C@@H]1CCNC1 H11286 [1,0,0,0,1,0|1,0,1]=4 915 B7R1.1 OC[C@@H]1CCNC1 P1348 [1,0,0,0,1,0|1,0,1]=4 916 B7R1.1 OC[C@@H]1CCOC1 T0397 [1,0,0,0,1,0|1,0,1]=4 917 B7R1.1 OC[C@H]1CCCN1 P14128 [1,0,0,0,1,0|1,0,1]=4 918 B7R1.1 OC[C@H]1CCCN1 P67898 [1,0,0,0,1,0|1,0,1]=4 919 B7R1.1 OC[C@H]1CCCO1 T67581 [1,0,0,0,1,0|1,0,1]=4 920 B7R1.1 OC[C@H]1CCCO1 T68627 [1,0,0,0,1,0|1,0,1]=4 921 B7R1.1 OC[C@H]1CCNC1 H1594 [1,0,0,0,1,0|1,0,1]=4 922 B7R1.1 OC[C@H]1CCNC1 H7915 [1,0,0,0,1,0|1,0,1]=4 923 B7R1.1 OC[C@H]1CCNC1 P1155 [1,0,0,0,1,0|1,0,1]=4 924 B7R1.1 OC[C@H]1CCNC1 P41328 [1,0,0,0,1,0|1,0,1]=4 925 B7R1.1 OC[C@H]1CCNC1 P6954 [1,0,0,0,1,0|1,0,1]=4 926 B7R1.1 OC[C@H]1CCOC1 T0396 [1,0,0,0,1,0|1,0,1]=4 927 B7R1.1 OC[C@H]1CCOC1 T0398 [1,0,0,0,1,0|1,0,1]=4 928 B7R1.18 CC(=O)C1CCC1 C22926 [0,0,0,0,2,0|1,0,0]=3 929 B7R1.18 CC(=O)C1CNC1 A18542 [0,0,0,0,2,0|2,0,0]=4 930 B7R1.18 N=C(N)C1CCC1 C11379 [0,0,0,0,2,0|2,0,0]=4 931 B7R1.18 NC(=O)C1CCC1 C36760 [0,0,0,0,2,0|1,0,0]=3 932 B7R1.18 NC(=O)C1CNC1 A0189 [0,0,0,0,2,0|2,0,0]=4 933 B7R1.18 NC(=O)C1CNC1 A10232 [0,0,0,0,2,0|2,0,0]=4 934 B7R1.18 O=C(O)C1CCC1 C39184 [0,0,0,0,2,0|0,0,0]=2 935 B7R1.18 O=C(O)C1CNC1 A0022 [0,0,0,0,2,0|1,0,0]=3 936 B7R1.18 O=C(O)C1CNC1 A62344 [0,0,0,0,2,0|1,0,0]=3 937 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [0,0,0,0,2,0|1,0,0]=3 938 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [0,0,0,0,2,0|1,0,0]=3 939 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [0,0,0,0,2,0|1,0,0]=3 940 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [0,0,0,0,2,0|1,0,0]=3 941 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [0,0,0,0,2,0|1,0,0]=3 942 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [0,0,0,0,2,0|1,0,0]=3 943 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [0,0,0,0,2,0|1,0,0]=3 944 B7R1.18 OB(O)C1CCC1 C38656 [0,0,0,0,2,0|1,0,1]=4 945 B9R1.89 CO[C@H]1CCCNCC1 M16379 [1,0,0,0,0,1|2,0,0]=4 946 B9R1.89 CO[C@H]1CCCNCC1 M1861 [1,0,0,0,0,1|2,0,0]=4 947 B9R1.89 N#CC1CCCCCC1 C62451 [1,0,0,0,0,1|1,0,1]=4 948 B9R1.89 N#C[C@H]1CCCNCC1 A29590 [1,0,0,0,0,1|1,0,1]=4 949 B9R1.89 NCC1CCCCCC1 C49582 [1,0,0,0,0,1|1,0,1]=4 950 B9R1.89 OC[C@@H]1CCCCCN1 A64396 [1,0,0,0,0,1|0,0,1]=3 951 B9R1.89 OC[C@H]1CCCCNC1 A15700 [1,0,0,0,0,1|0,0,1]=3 952 B11R1.91 O=C(O)CCC1CCCCC1 C39553 [0,0,0,0,0,2|0,0,0]=2 953 B11R1.91 O=C(O)CCC1CCNCC1 P60724 [0,0,0,0,0,2|1,0,0]=3 954 B11R1.91 O=C(O)CCN1CCOCC1 M43855 [0,0,0,0,0,2|2,0,0]=4 955 B11R1.91 O=C(O)\C=C\C1CCCCC1 C9422 [0,0,0,0,0,2|0,0,0]=2