0 B7R1.3 BrC1CCCCC1 B69054 [0,0,0,0,0,0|1,0,1]=2 1 B7R1.3 BrC1CCNCC1 B40375 [0,0,0,0,0,0|2,0,1]=3 2 B7R1.3 BrC1CCOCC1 B1507 [0,0,0,0,0,0|2,0,1]=3 3 B7R1.3 BrC1CCSCC1 B31817 [0,0,0,0,0,0|2,0,1]=3 4 B7R1.3 C=C1CCNCC1 M19855 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.3 C=C1CCOCC1 M23324 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.3 CC1=CCCNC1 M12102 [0,0,0,0,0,0|2,0,1]=3 7 B7R1.3 CC1=CCNCC1 M26826 [0,0,0,0,0,0|2,0,1]=3 8 B7R1.3 CC1SCCCS1 M63108 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.3 CN1CCNCC1 M13367 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.3 C[C@@H]1CCCNC1 M43474 [0,0,0,0,0,0|2,0,1]=3 11 B7R1.3 C[C@@H]1CNCCN1 M10716 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.3 C[C@@H]1CNCCO1 M15403 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.3 C[C@@H]1CNCCO1 M28760 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.3 C[C@@H]1COCCN1 M26868 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.3 C[C@@H]1COCCN1 M9009 [0,0,0,0,0,0|3,0,1]=4 16 B7R1.3 C[C@H]1CCCCN1 M43475 [0,0,0,0,0,0|2,0,1]=3 17 B7R1.3 C[C@H]1CNCCN1 M10717 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.3 C[C@H]1CNCCO1 M15401 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.3 C[C@H]1CNCCO1 M15402 [0,0,0,0,0,0|3,0,1]=4 20 B7R1.3 C[C@H]1CNCCO1 M29509 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.3 C[C@H]1CNCCO1 M41323 [0,0,0,0,0,0|3,0,1]=4 22 B7R1.3 C[C@H]1COCCN1 M23631 [0,0,0,0,0,0|3,0,1]=4 23 B7R1.3 C[C@H]1COCCN1 M41324 [0,0,0,0,0,0|3,0,1]=4 24 B7R1.3 C[C@H]1COCCN1 M8924 [0,0,0,0,0,0|3,0,1]=4 25 B7R1.3 ClC1CCNCC1 C40376 [0,0,0,0,0,0|2,0,1]=3 26 B7R1.3 ClC1CCOCC1 C4527 [0,0,0,0,0,0|2,0,1]=3 27 B7R1.3 FC1CCNCC1 F6080 [0,0,0,0,0,0|2,0,1]=3 28 B7R1.3 F[C@@H]1CCCNC1 F7495 [0,0,0,0,0,0|2,0,1]=3 29 B7R1.3 F[C@H]1CCCNC1 F1651 [0,0,0,0,0,0|2,0,1]=3 30 B7R1.3 F[C@H]1CCCNC1 F7461 [0,0,0,0,0,0|2,0,1]=3 31 B7R1.3 IC1CCOCC1 I1189 [0,0,0,0,0,0|2,0,1]=3 32 B7R1.3 IC1CCSCC1 I31818 [0,0,0,0,0,0|2,0,1]=3 33 B7R1.3 NC1=NCCCN1 A40341 [0,0,0,0,0,0|3,0,0]=3 34 B7R1.3 NC1CCCCC1 C39283 [0,0,0,0,0,0|1,0,1]=2 35 B7R1.3 NC1CCNCC1 P67610 [0,0,0,0,0,0|2,0,1]=3 36 B7R1.3 NC1CCOCC1 A1504 [0,0,0,0,0,0|2,0,1]=3 37 B7R1.3 NC1CCOCC1 T1169 [0,0,0,0,0,0|2,0,1]=3 38 B7R1.3 NC1CCSCC1 T22381 [0,0,0,0,0,0|2,0,1]=3 39 B7R1.3 NC1CCSCC1 T5312 [0,0,0,0,0,0|2,0,1]=3 40 B7R1.3 NN1CCOCC1 A39946 [0,0,0,0,0,0|3,0,0]=3 41 B7R1.3 N[C@@H]1CCCNC1 A10836 [0,0,0,0,0,0|2,0,1]=3 42 B7R1.3 N[C@@H]1CCCNC1 P32424 [0,0,0,0,0,0|2,0,1]=3 43 B7R1.3 N[C@@H]1CCCOC1 X18615 [0,0,0,0,0,0|2,0,1]=3 44 B7R1.3 N[C@H]1CCCNC1 P41385 [0,0,0,0,0,0|2,0,1]=3 45 B7R1.3 N[C@H]1CCCNC1 P67457 [0,0,0,0,0,0|2,0,1]=3 46 B7R1.3 N[C@H]1CCCOC1 T1132 [0,0,0,0,0,0|2,0,1]=3 47 B7R1.3 N[C@H]1CCCOC1 X17960 [0,0,0,0,0,0|2,0,1]=3 48 B7R1.3 O=C1C=CCCN1 D67780 [0,0,0,0,0,0|1,0,2]=3 49 B7R1.3 O=C1C=CCOC1 P26982 [0,0,0,0,0,0|1,0,2]=3 50 B7R1.3 O=C1CCCCN1 P69632 [0,0,0,0,0,0|1,0,0]=1 51 B7R1.3 O=C1CCCNC1 P1523 [0,0,0,0,0,0|1,0,0]=1 52 B7R1.3 O=C1CCCNC1 P31811 [0,0,0,0,0,0|1,0,0]=1 53 B7R1.3 O=C1CCCOC1 T7026 [0,0,0,0,0,0|1,0,0]=1 54 B7R1.3 O=C1CCCSC1 T1776 [0,0,0,0,0,0|1,0,0]=1 55 B7R1.3 O=C1CCNCC1 P23503 [0,0,0,0,0,0|1,0,0]=1 56 B7R1.3 O=C1CCOCC1 T4632 [0,0,0,0,0,0|1,0,0]=1 57 B7R1.3 O=C1CCSCC1 T6200 [0,0,0,0,0,0|1,0,0]=1 58 B7R1.3 O=C1CNCCN1 P10419 [0,0,0,0,0,0|2,0,0]=2 59 B7R1.3 O=C1COCCN1 M7700 [0,0,0,0,0,0|2,0,0]=2 60 B7R1.3 O=C1COCCO1 D38663 [0,0,0,0,0,0|2,0,0]=2 61 B7R1.3 O=C1CSCCN1 T40230 [0,0,0,0,0,0|2,0,0]=2 62 B7R1.3 O=S1CCNCC1 T5787 [0,0,0,0,0,0|2,0,0]=2 63 B7R1.3 OC1CCNCC1 P24137 [0,0,0,0,0,0|1,0,2]=3 64 B7R1.3 OC1CCNCC1 P41321 [0,0,0,0,0,0|1,0,2]=3 65 B7R1.3 OC1CCOCC1 H0389 [0,0,0,0,0,0|1,0,2]=3 66 B7R1.3 OC1CCSCC1 H31816 [0,0,0,0,0,0|1,0,2]=3 67 B7R1.3 OC1COCOC1 D38760 [0,0,0,0,0,0|2,0,2]=4 68 B7R1.3 O[C@@H]1CCCNC1 H12298 [0,0,0,0,0,0|1,0,2]=3 69 B7R1.3 O[C@@H]1CCCNC1 H1652 [0,0,0,0,0,0|1,0,2]=3 70 B7R1.3 O[C@@H]1CCCOC1 T15984 [0,0,0,0,0,0|1,0,2]=3 71 B7R1.3 O[C@@H]1CNCCO1 M40347 [0,0,0,0,0,0|2,0,2]=4 72 B7R1.3 O[C@H]1CCCNC1 H0276 [0,0,0,0,0,0|1,0,2]=3 73 B7R1.3 O[C@H]1CCCNC1 H10264 [0,0,0,0,0,0|1,0,2]=3 74 B7R1.3 O[C@H]1CCCNC1 H10265 [0,0,0,0,0,0|1,0,2]=3 75 B7R1.3 O[C@H]1CCCNC1 H4736 [0,0,0,0,0,0|1,0,2]=3 76 B7R1.3 O[C@H]1CCCOC1 H11398 [0,0,0,0,0,0|1,0,2]=3 77 B7R1.3 O[C@H]1CCCOC1 T25087 [0,0,0,0,0,0|1,0,2]=3 78 B7R1.3 SC1CCNCC1 P11895 [0,0,0,0,0,0|1,1,1]=3 79 B7R1.3 S[C@H]1CCCNC1 P15399 [0,0,0,0,0,0|1,1,1]=3 80 B7R1.3 [Mg+]C1CCCCC1 C31701 [0,0,0,0,0,0|1,0,1]=2 81 B7R1.3 [Mg+]C1CCOCC1 T8353 [0,0,0,0,0,0|2,0,1]=3 82 B7R1.3 [Mg+]C1CCOCC1 T8354 [0,0,0,0,0,0|2,0,1]=3 83 B7R1.3 [Mg+]C1CCSCC1 T31824 [0,0,0,0,0,0|2,0,1]=3 84 B6R1.1 C1=CCNCC1 T0540 [1,0,0,0,0,0|1,0,1]=3 85 B6R1.1 C1=CCOCC1 D10810 [1,0,0,0,0,0|1,0,1]=3 86 B6R1.1 C1CCNCC1 P67647 [1,0,0,0,0,0|1,0,0]=2 87 B6R1.1 C1CCNNC1 H8288 [1,0,0,0,0,0|2,0,0]=3 88 B6R1.1 C1CCONC1 X13780 [1,0,0,0,0,0|2,0,0]=3 89 B6R1.1 C1CCONC1 X40342 [1,0,0,0,0,0|2,0,0]=3 90 B6R1.1 C1CNCOC1 X40263 [1,0,0,0,0,0|2,0,0]=3 91 B6R1.1 C1CSCCN1 T17901 [1,0,0,0,0,0|2,0,0]=3 92 B8R1.2 BrCC1=CCCCC1 B10308 [0,1,0,0,0,0|1,0,1]=3 93 B8R1.2 BrCC1CCCCC1 B43832 [0,1,0,0,0,0|1,0,1]=3 94 B8R1.2 BrCC1CCNCC1 B1292 [0,1,0,0,0,0|2,0,1]=4 95 B8R1.2 BrCC1CCOCC1 B3933 [0,1,0,0,0,0|2,0,1]=4 96 B8R1.2 BrC[C@H]1CCCOC1 B8026 [0,1,0,0,0,0|2,0,1]=4 97 B8R1.2 C#CC1CCNCC1 E24220 [0,1,0,0,0,0|2,0,1]=4 98 B8R1.2 C#CC1CCOCC1 E0568 [0,1,0,0,0,0|2,0,1]=4 99 B8R1.2 C#CC1CCSCC1 E13094 [0,1,0,0,0,0|2,0,1]=4 100 B8R1.2 C#C[C@H]1CCCNC1 E14072 [0,1,0,0,0,0|2,0,1]=4 101 B8R1.2 C#C[C@H]1CCCOC1 E14193 [0,1,0,0,0,0|2,0,1]=4 102 B8R1.2 CCN1CCNCC1 E13368 [0,1,0,0,0,0|3,0,0]=4 103 B8R1.2 CC[C@H]1CCCCN1 E46502 [0,1,0,0,0,0|2,0,1]=4 104 B8R1.2 CNC1CCNCC1 M13774 [0,1,0,0,0,0|2,0,1]=4 105 B8R1.2 CNC1CCOCC1 M10218 [0,1,0,0,0,0|2,0,1]=4 106 B8R1.2 CN[C@H]1CCCNC1 M43509 [0,1,0,0,0,0|2,0,1]=4 107 B8R1.2 CN[C@H]1CCCNC1 M43560 [0,1,0,0,0,0|2,0,1]=4 108 B8R1.2 COC1=CCOCC1 M5825 [0,1,0,0,0,0|1,0,2]=4 109 B8R1.2 COC1CCNCC1 M0482 [0,1,0,0,0,0|1,0,2]=4 110 B8R1.2 COC1CCNCC1 M1164 [0,1,0,0,0,0|1,0,2]=4 111 B8R1.2 CO[C@@H]1CCCNC1 M10269 [0,1,0,0,0,0|1,0,2]=4 112 B8R1.2 CO[C@@H]1CCCNC1 M10270 [0,1,0,0,0,0|1,0,2]=4 113 B8R1.2 CO[C@H]1CCCNC1 M10271 [0,1,0,0,0,0|1,0,2]=4 114 B8R1.2 CO[C@H]1CCCNC1 M1167 [0,1,0,0,0,0|1,0,2]=4 115 B8R1.2 CO[C@H]1CCCNC1 M7502 [0,1,0,0,0,0|1,0,2]=4 116 B8R1.2 ClC[C@H]1CCCCN1 C41543 [0,1,0,0,0,0|2,0,1]=4 117 B8R1.2 FCC1CCNCC1 F1237 [0,1,0,0,0,0|2,0,1]=4 118 B8R1.2 FCC1CCNCC1 F14211 [0,1,0,0,0,0|2,0,1]=4 119 B8R1.2 FC[C@H]1CCCCN1 F1342 [0,1,0,0,0,0|2,0,1]=4 120 B8R1.2 ICC1CCCCC1 I38363 [0,1,0,0,0,0|1,0,1]=3 121 B8R1.2 ICC1CCOCC1 I10217 [0,1,0,0,0,0|2,0,1]=4 122 B8R1.2 I[Zn]C1CCOCC1 T31854 [0,1,0,0,0,0|2,0,1]=4 123 B8R1.2 N#CC1=CCCCO1 D43135 [0,1,0,0,0,0|2,0,1]=4 124 B8R1.2 N#CC1CCCCC1 C69224 [0,1,0,0,0,0|1,0,1]=3 125 B8R1.2 N#CC1CCCCN1 P20239 [0,1,0,0,0,0|2,0,1]=4 126 B8R1.2 N#CC1CCNCC1 C10273 [0,1,0,0,0,0|2,0,1]=4 127 B8R1.2 N#CC1CCOCC1 C1508 [0,1,0,0,0,0|2,0,1]=4 128 B8R1.2 N#CC1CCSCC1 T13089 [0,1,0,0,0,0|2,0,1]=4 129 B8R1.2 N#C[C@@H]1CCCCN1 C13305 [0,1,0,0,0,0|2,0,1]=4 130 B8R1.2 N#C[C@@H]1CCCCN1 P43432 [0,1,0,0,0,0|2,0,1]=4 131 B8R1.2 N#C[C@@H]1CCCNC1 C15044 [0,1,0,0,0,0|2,0,1]=4 132 B8R1.2 N#C[C@H]1CCCNC1 C15045 [0,1,0,0,0,0|2,0,1]=4 133 B8R1.2 N#C[C@H]1CCCNC1 C1622 [0,1,0,0,0,0|2,0,1]=4 134 B8R1.2 NCC1CCCCC1 C43900 [0,1,0,0,0,0|1,0,1]=3 135 B8R1.2 NCC1CCOCC1 T1166 [0,1,0,0,0,0|2,0,1]=4 136 B8R1.2 NCC1CCSCC1 T13090 [0,1,0,0,0,0|2,0,1]=4 137 B8R1.2 NC[C@@H]1CCCOC1 T14517 [0,1,0,0,0,0|2,0,1]=4 138 B8R1.2 NC[C@H]1CCCCN1 P68366 [0,1,0,0,0,0|2,0,1]=4 139 B8R1.2 NC[C@H]1CCCNC1 P60926 [0,1,0,0,0,0|2,0,1]=4 140 B8R1.2 NC[C@H]1CCCOC1 A14515 [0,1,0,0,0,0|2,0,1]=4 141 B8R1.2 NC[C@H]1CCCOC1 T14516 [0,1,0,0,0,0|2,0,1]=4 142 B8R1.2 NNC1CCCCC1 C43508 [0,1,0,0,0,0|1,0,1]=3 143 B8R1.2 NNC1CCOCC1 T12041 [0,1,0,0,0,0|2,0,1]=4 144 B8R1.2 NNC1CCOCC1 T64234 [0,1,0,0,0,0|2,0,1]=4 145 B8R1.2 NO[C@@H]1CCCCO1 T24832 [0,1,0,0,0,0|1,0,2]=4 146 B8R1.2 O=CC1=CCCOC1 D43308 [0,1,0,0,0,0|1,0,1]=3 147 B8R1.2 O=CC1=COCCC1 D43307 [0,1,0,0,0,0|1,0,1]=3 148 B8R1.2 O=CC1CCOCC1 T0115 [0,1,0,0,0,0|1,0,1]=3 149 B8R1.2 O=CC1CCSCC1 T31827 [0,1,0,0,0,0|1,0,1]=3 150 B8R1.2 O=CN1CCCCC1 P68910 [0,1,0,0,0,0|1,0,0]=2 151 B8R1.2 O=CN1CCOCC1 M68909 [0,1,0,0,0,0|2,0,0]=3 152 B8R1.2 OCC1CCNCC1 P0766 [0,1,0,0,0,0|1,0,2]=4 153 B8R1.2 OCC1CCOCC1 H0390 [0,1,0,0,0,0|1,0,2]=4 154 B8R1.2 OCC1CCSCC1 T13093 [0,1,0,0,0,0|1,0,2]=4 155 B8R1.2 OC[C@@H]1CCCCN1 P7111 [0,1,0,0,0,0|1,0,2]=4 156 B8R1.2 OC[C@@H]1CCCCO1 X24024 [0,1,0,0,0,0|1,0,2]=4 157 B8R1.2 OC[C@@H]1CCCNC1 P41579 [0,1,0,0,0,0|1,0,2]=4 158 B8R1.2 OC[C@@H]1CCCNC1 P60999 [0,1,0,0,0,0|1,0,2]=4 159 B8R1.2 OC[C@@H]1CCCOC1 X59846 [0,1,0,0,0,0|1,0,2]=4 160 B8R1.2 OC[C@H]1CCCCN1 H41578 [0,1,0,0,0,0|1,0,2]=4 161 B8R1.2 OC[C@H]1CCCCN1 P7110 [0,1,0,0,0,0|1,0,2]=4 162 B8R1.2 OC[C@H]1CCCNC1 P0762 [0,1,0,0,0,0|1,0,2]=4 163 B8R1.2 OC[C@H]1CCCNC1 P41576 [0,1,0,0,0,0|1,0,2]=4 164 B8R1.2 OC[C@H]1CCCOC1 H11515 [0,1,0,0,0,0|1,0,2]=4 165 B8R1.2 OC[C@H]1CCCOC1 X59849 [0,1,0,0,0,0|1,0,2]=4 166 B8R1.2 ON=C1CCOCC1 T0658 [0,1,0,0,0,0|1,0,1]=3 167 B8R1.2 ON=C1CCSCC1 T6161 [0,1,0,0,0,0|1,0,1]=3 168 B8R1.2 ONC1CCCCC1 C43480 [0,1,0,0,0,0|0,0,2]=3 169 B8R1.2 [Mg+]CC1CCCCC1 C31706 [0,1,0,0,0,0|1,0,1]=3 170 B8R1.3 CC1=NNC(=O)CC1 M41199 [0,1,0,0,0,0|2,0,1]=4 171 B8R1.3 CC1CCC(=O)CC1 M39288 [0,1,0,0,0,0|0,0,0]=1 172 B8R1.3 CC1CCC(O)CC1 M61965 [0,1,0,0,0,0|0,0,2]=3 173 B8R1.3 CN1CCC(=O)CC1 M28326 [0,1,0,0,0,0|1,0,0]=2 174 B8R1.3 CN1CCC(Cl)CC1 C68578 [0,1,0,0,0,0|2,0,0]=3 175 B8R1.3 CN1CCC(N)CC1 A7503 [0,1,0,0,0,0|2,0,0]=3 176 B8R1.3 CN1CCC(O)CC1 H12302 [0,1,0,0,0,0|2,0,0]=3 177 B8R1.3 CN1CCC([Mg+])CC1 M8352 [0,1,0,0,0,0|2,0,0]=3 178 B8R1.3 CN1CCC([Zn+])CC1 M7236 [0,1,0,0,0,0|2,0,0]=3 179 B8R1.3 CN1CCN(N)CC1 M62380 [0,1,0,0,0,0|3,0,0]=4 180 B8R1.3 C[C@@H]1CC[C@H](O)CN1 M59818 [0,1,0,0,0,0|1,0,2]=4 181 B8R1.3 C[C@@H]1CNC(=O)CN1 M29571 [0,1,0,0,0,0|2,0,0]=3 182 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [0,1,0,0,0,0|1,0,0]=2 183 B8R1.3 C[C@H]1CC[C@@H](N)CC1 M46505 [0,1,0,0,0,0|1,0,1]=3 184 B8R1.3 C[C@H]1CC[C@H](N)CC1 M46506 [0,1,0,0,0,0|1,0,1]=3 185 B8R1.3 C[C@H]1CC[C@H](N)CC1 M68368 [0,1,0,0,0,0|1,0,1]=3 186 B8R1.3 C[C@H]1CNC(=O)CN1 M17917 [0,1,0,0,0,0|2,0,0]=3 187 B8R1.3 NC1CCC(=O)CC1 A38581 [0,1,0,0,0,0|0,0,0]=1 188 B8R1.3 NC1CCC(Br)CC1 B41541 [0,1,0,0,0,0|1,0,1]=3 189 B8R1.3 NC1CCC(O)CC1 A43478 [0,1,0,0,0,0|0,0,2]=3 190 B8R1.3 NN1CCC(O)CC1 A61614 [0,1,0,0,0,0|2,0,0]=3 191 B8R1.3 N[C@H]1CCC(=O)NC1 A0587 [0,1,0,0,0,0|1,0,0]=2 192 B8R1.3 N[C@H]1CC[C@@H](O)CC1 A23551 [0,1,0,0,0,0|0,0,2]=3 193 B8R1.3 N[C@H]1CC[C@@H](O)CC1 A29883 [0,1,0,0,0,0|0,0,2]=3 194 B8R1.3 N[C@H]1CC[C@H](N)CC1 C67917 [0,1,0,0,0,0|1,0,1]=3 195 B8R1.3 N[C@H]1CC[C@H](O)CC1 A4686 [0,1,0,0,0,0|0,0,2]=3 196 B8R1.3 O=C1CCC(=O)NC1 P24057 [0,1,0,0,0,0|1,0,1]=3 197 B8R1.3 O=C1CCC(O)CC1 H18838 [0,1,0,0,0,0|0,0,0]=1 198 B8R1.3 O=C1CC[C@H](O)CN1 H22093 [0,1,0,0,0,0|1,0,0]=2 199 B8R1.3 O=C1CNC(=O)CN1 P61806 [0,1,0,0,0,0|2,0,1]=4 200 B8R1.3 O=C1COC(=O)CO1 D40112 [0,1,0,0,0,0|2,0,1]=4 201 B8R1.3 O[C@H]1CC[C@@H](O)CC1 C11596 [0,1,0,0,0,0|0,0,2]=3 202 B8R1.3 O[C@H]1CC[C@H](O)CC1 C24967 [0,1,0,0,0,0|0,0,2]=3 203 B8R1.4 CC1CC(N)CCO1 M26284 [0,1,0,0,0,0|2,0,1]=4 204 B8R1.4 CC1CC(O)CCN1 M11589 [0,1,0,0,0,0|1,0,2]=4 205 B8R1.4 CC1CC(O)CCO1 M14345 [0,1,0,0,0,0|1,0,2]=4 206 B8R1.4 CC1CNCC(C)C1 D39299 [0,1,0,0,0,0|2,0,1]=4 207 B8R1.4 CN1CCCC(=O)C1 M13651 [0,1,0,0,0,0|1,0,0]=2 208 B8R1.4 CN1CCC[C@@H](N)C1 A1653 [0,1,0,0,0,0|2,0,0]=3 209 B8R1.4 CN1CCC[C@@H](N)C1 M16827 [0,1,0,0,0,0|2,0,0]=3 210 B8R1.4 CN1CCC[C@@H](O)C1 H1521 [0,1,0,0,0,0|2,0,0]=3 211 B8R1.4 CN1CCC[C@H](N)C1 A0282 [0,1,0,0,0,0|2,0,0]=3 212 B8R1.4 CN1CCC[C@H](N)C1 A1654 [0,1,0,0,0,0|2,0,0]=3 213 B8R1.4 CN1CCC[C@H](N)C1 A7504 [0,1,0,0,0,0|2,0,0]=3 214 B8R1.4 CN1CCC[C@H](O)C1 H0286 [0,1,0,0,0,0|2,0,0]=3 215 B8R1.4 CN1CCC[C@H](O)C1 H1522 [0,1,0,0,0,0|2,0,0]=3 216 B8R1.4 CN1CCNC(=O)C1 M6975 [0,1,0,0,0,0|2,0,0]=3 217 B8R1.4 CN1CCOC(=O)C1 M41260 [0,1,0,0,0,0|2,0,0]=3 218 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,1,0,0,0,0|1,0,0]=2 219 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,1,0,0,0,0|1,0,0]=2 220 B8R1.4 C[C@@H]1CN(C)CCN1 D27738 [0,1,0,0,0,0|3,0,0]=4 221 B8R1.4 C[C@@H]1CN(C)CCN1 D62333 [0,1,0,0,0,0|3,0,0]=4 222 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [0,1,0,0,0,0|2,0,0]=3 223 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [0,1,0,0,0,0|2,0,0]=3 224 B8R1.4 C[C@@H]1C[C@H](O)CCN1 M31245 [0,1,0,0,0,0|1,0,2]=4 225 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,1,0,0,0,0|1,0,0]=2 226 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,1,0,0,0,0|1,0,0]=2 227 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,1,0,0,0,0|1,0,0]=2 228 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,1,0,0,0,0|1,0,0]=2 229 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,1,0,0,0,0|1,0,0]=2 230 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,1,0,0,0,0|1,0,0]=2 231 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [0,1,0,0,0,0|1,0,0]=2 232 B8R1.4 C[C@H]1CN(C)CCN1 D41607 [0,1,0,0,0,0|3,0,0]=4 233 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [0,1,0,0,0,0|2,0,0]=3 234 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M11590 [0,1,0,0,0,0|1,0,2]=4 235 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M8079 [0,1,0,0,0,0|1,0,2]=4 236 B8R1.4 NC1=CC(=O)CCC1 A9456 [0,1,0,0,0,0|0,0,2]=3 237 B8R1.4 NC1CCCC(O)C1 A24893 [0,1,0,0,0,0|0,0,2]=3 238 B8R1.4 NC1CCCC(O)C1 A43477 [0,1,0,0,0,0|0,0,2]=3 239 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 A17953 [0,1,0,0,0,0|0,0,2]=3 240 B8R1.4 N[C@@H]1CCC[C@H](O)C1 A24958 [0,1,0,0,0,0|0,0,2]=3 241 B8R1.4 N[C@@H]1CCC[C@H](O)C1 A32382 [0,1,0,0,0,0|0,0,2]=3 242 B8R1.4 N[C@H]1CCC[C@@H](N)C1 C23932 [0,1,0,0,0,0|1,0,1]=3 243 B8R1.4 N[C@H]1CCC[C@@H](O)C1 A31661 [0,1,0,0,0,0|0,0,2]=3 244 B8R1.4 N[C@H]1CCC[C@H](N)C1 C29966 [0,1,0,0,0,0|1,0,1]=3 245 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [0,1,0,0,0,0|1,0,0]=2 246 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [0,1,0,0,0,0|1,0,0]=2 247 B8R1.4 O=C1CCCC(=O)C1 C38740 [0,1,0,0,0,0|0,0,1]=2 248 B8R1.4 O=C1CCCC(=O)N1 P69653 [0,1,0,0,0,0|1,0,1]=3 249 B8R1.4 O=C1CCNC(=O)C1 P7969 [0,1,0,0,0,0|1,0,1]=3 250 B8R1.4 O=C1CNCC(=O)N1 P10757 [0,1,0,0,0,0|2,0,1]=4 251 B8R1.4 O=C1COCC(=O)C1 P7984 [0,1,0,0,0,0|1,0,1]=3 252 B8R1.4 O=C1CSCC(=O)C1 T15232 [0,1,0,0,0,0|1,0,1]=3 253 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [0,1,0,0,0,0|1,0,0]=2 254 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [0,1,0,0,0,0|1,0,0]=2 255 B8R1.4 O=C1[CH-]C(=O)COC1 S41303 [0,1,0,0,0,0|1,0,2]=4 256 B8R1.5 CC1=NCCCN1C D39201 [0,1,0,0,0,0|3,0,0]=4 257 B8R1.5 CC1CCNCC1O H11697 [0,1,0,0,0,0|1,0,2]=4 258 B8R1.5 CC1CCNCC1O H11698 [0,1,0,0,0,0|1,0,2]=4 259 B8R1.5 CC1CNCCC1O M17031 [0,1,0,0,0,0|1,0,2]=4 260 B8R1.5 CC1CNCCC1O M41575 [0,1,0,0,0,0|1,0,2]=4 261 B8R1.5 CN1CCNCC1=O M12652 [0,1,0,0,0,0|2,0,0]=3 262 B8R1.5 CN1CCNCC1=O M4395 [0,1,0,0,0,0|2,0,0]=3 263 B8R1.5 C[C@@H]1CCCC[C@@H]1N M46507 [0,1,0,0,0,0|1,0,1]=3 264 B8R1.5 C[C@@H]1CCNC[C@@H]1O H14889 [0,1,0,0,0,0|1,0,2]=4 265 B8R1.5 C[C@@H]1CCNC[C@H]1O H11699 [0,1,0,0,0,0|1,0,2]=4 266 B8R1.5 C[C@@H]1CCNC[C@H]1O H14888 [0,1,0,0,0,0|1,0,2]=4 267 B8R1.5 C[C@@H]1CNCCN1C D10718 [0,1,0,0,0,0|3,0,0]=4 268 B8R1.5 C[C@@H]1CNCC[C@H]1O M30026 [0,1,0,0,0,0|1,0,2]=4 269 B8R1.5 C[C@@H]1COCC[C@H]1N M14514 [0,1,0,0,0,0|2,0,1]=4 270 B8R1.5 C[C@@H]1COCC[C@H]1N M27647 [0,1,0,0,0,0|2,0,1]=4 271 B8R1.5 C[C@@H]1COCC[C@H]1N M59772 [0,1,0,0,0,0|2,0,1]=4 272 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,1,0,0,0,0|0,0,0]=1 273 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,1,0,0,0,0|1,0,0]=2 274 B8R1.5 C[C@H]1CCNCC1=O M14887 [0,1,0,0,0,0|1,0,0]=2 275 B8R1.5 C[C@H]1CCNC[C@H]1O H11700 [0,1,0,0,0,0|1,0,2]=4 276 B8R1.5 C[C@H]1CNCCC1=O M14880 [0,1,0,0,0,0|1,0,0]=2 277 B8R1.5 C[C@H]1CNCCC1=O M41497 [0,1,0,0,0,0|1,0,0]=2 278 B8R1.5 C[C@H]1CNCCN1C D11166 [0,1,0,0,0,0|3,0,0]=4 279 B8R1.5 C[C@H]1CNCCN1C D23865 [0,1,0,0,0,0|3,0,0]=4 280 B8R1.5 C[C@H]1CNCCN1C D41606 [0,1,0,0,0,0|3,0,0]=4 281 B8R1.5 C[C@H]1COCCC1=O M11408 [0,1,0,0,0,0|1,0,0]=2 282 B8R1.5 C[C@H]1COCC[C@@H]1N M59773 [0,1,0,0,0,0|2,0,1]=4 283 B8R1.5 C[C@H]1COCC[C@H]1N M11514 [0,1,0,0,0,0|2,0,1]=4 284 B8R1.5 F[C@@H]1CCNC[C@H]1F D15106 [0,1,0,0,0,0|2,0,1]=4 285 B8R1.5 F[C@H]1CCNC[C@H]1F D15107 [0,1,0,0,0,0|2,0,1]=4 286 B8R1.5 NC1COCCC1O A7869 [0,1,0,0,0,0|1,0,2]=4 287 B8R1.5 NN1CCCCC1=O A41312 [0,1,0,0,0,0|1,0,0]=2 288 B8R1.5 N[C@@H]1CCCC[C@H]1N C22236 [0,1,0,0,0,0|1,0,1]=3 289 B8R1.5 N[C@@H]1CCCC[C@H]1N C60843 [0,1,0,0,0,0|1,0,1]=3 290 B8R1.5 N[C@@H]1CCCC[C@H]1O A41577 [0,1,0,0,0,0|0,0,2]=3 291 B8R1.5 N[C@@H]1CCCC[C@H]1O A43481 [0,1,0,0,0,0|0,0,2]=3 292 B8R1.5 N[C@@H]1CCCNC1=O A41314 [0,1,0,0,0,0|1,0,0]=2 293 B8R1.5 N[C@@H]1CCOC[C@@H]1F F20714 [0,1,0,0,0,0|2,0,1]=4 294 B8R1.5 N[C@@H]1CCOC[C@@H]1F F60225 [0,1,0,0,0,0|2,0,1]=4 295 B8R1.5 N[C@@H]1CCOC[C@@H]1O A11506 [0,1,0,0,0,0|1,0,2]=4 296 B8R1.5 N[C@@H]1CCOC[C@@H]1O A20209 [0,1,0,0,0,0|1,0,2]=4 297 B8R1.5 N[C@@H]1CCOC[C@H]1F F19599 [0,1,0,0,0,0|2,0,1]=4 298 B8R1.5 N[C@@H]1CCOC[C@H]1O A11507 [0,1,0,0,0,0|1,0,2]=4 299 B8R1.5 N[C@@H]1CCOC[C@H]1O A20694 [0,1,0,0,0,0|1,0,2]=4 300 B8R1.5 N[C@@H]1COCC[C@@H]1O A20910 [0,1,0,0,0,0|1,0,2]=4 301 B8R1.5 N[C@@H]1COCC[C@@H]1O A21545 [0,1,0,0,0,0|1,0,2]=4 302 B8R1.5 N[C@@H]1COCC[C@H]1O A12092 [0,1,0,0,0,0|1,0,2]=4 303 B8R1.5 N[C@H]1CCCCC1=O A63504 [0,1,0,0,0,0|0,0,0]=1 304 B8R1.5 N[C@H]1CCCC[C@@H]1N C65455 [0,1,0,0,0,0|1,0,1]=3 305 B8R1.5 N[C@H]1CCCC[C@@H]1O A43482 [0,1,0,0,0,0|0,0,2]=3 306 B8R1.5 N[C@H]1CCCC[C@@H]1O A64879 [0,1,0,0,0,0|0,0,2]=3 307 B8R1.5 N[C@H]1CCCC[C@H]1N C67193 [0,1,0,0,0,0|1,0,1]=3 308 B8R1.5 N[C@H]1CCCC[C@H]1O A38152 [0,1,0,0,0,0|0,0,2]=3 309 B8R1.5 N[C@H]1CCCC[C@H]1O A43479 [0,1,0,0,0,0|0,0,2]=3 310 B8R1.5 N[C@H]1CCCNC1=O A38933 [0,1,0,0,0,0|1,0,0]=2 311 B8R1.5 N[C@H]1CCCNC1=O A41313 [0,1,0,0,0,0|1,0,0]=2 312 B8R1.5 N[C@H]1CCCNC1=O A64847 [0,1,0,0,0,0|1,0,0]=2 313 B8R1.5 N[C@H]1CCOC[C@@H]1F F27830 [0,1,0,0,0,0|2,0,1]=4 314 B8R1.5 N[C@H]1CCOC[C@@H]1F P20737 [0,1,0,0,0,0|2,0,1]=4 315 B8R1.5 N[C@H]1CCOC[C@@H]1O A16546 [0,1,0,0,0,0|1,0,2]=4 316 B8R1.5 N[C@H]1CCOC[C@H]1O A10117 [0,1,0,0,0,0|1,0,2]=4 317 B8R1.5 N[C@H]1CCOC[C@H]1O A27832 [0,1,0,0,0,0|1,0,2]=4 318 B8R1.5 N[C@H]1COCC[C@@H]1O A20755 [0,1,0,0,0,0|1,0,2]=4 319 B8R1.5 N[C@H]1COCC[C@H]1O A59650 [0,1,0,0,0,0|1,0,2]=4 320 B8R1.5 O=C1CCCC=C1Br B3408 [0,1,0,0,0,0|0,0,2]=3 321 B8R1.5 O=C1CCCCC1=O C67839 [0,1,0,0,0,0|0,0,1]=2 322 B8R1.5 O=C1CCNC[C@@H]1F F11694 [0,1,0,0,0,0|1,0,0]=2 323 B8R1.5 O=C1CCNC[C@@H]1F F13759 [0,1,0,0,0,0|1,0,0]=2 324 B8R1.5 O=C1CCOC[C@@H]1Br B7711 [0,1,0,0,0,0|1,0,0]=2 325 B8R1.5 O=C1CCOC[C@@H]1F F5739 [0,1,0,0,0,0|1,0,0]=2 326 B8R1.5 O=C1NCCC[C@@H]1Br B41219 [0,1,0,0,0,0|1,0,0]=2 327 B8R1.5 O=C1NCCC[C@@H]1O H36756 [0,1,0,0,0,0|1,0,0]=2 328 B8R1.5 OC1CCCCC1Cl C41533 [0,1,0,0,0,0|0,0,2]=3 329 B8R1.5 OC1CCNCC1F F32301 [0,1,0,0,0,0|1,0,2]=4 330 B8R1.5 OC1CCOCC1F F20039 [0,1,0,0,0,0|1,0,2]=4 331 B8R1.5 O[C@@H]1CCNC[C@@H]1F F12118 [0,1,0,0,0,0|1,0,2]=4 332 B8R1.5 O[C@@H]1CCNC[C@H]1O D31613 [0,1,0,0,0,0|1,0,2]=4 333 B8R1.5 O[C@@H]1CCOC[C@H]1F F59990 [0,1,0,0,0,0|1,0,2]=4 334 B8R1.5 O[C@@H]1CNCC[C@H]1F F26881 [0,1,0,0,0,0|1,0,2]=4 335 B8R1.5 O[C@H]1CCCC[C@H]1O C61980 [0,1,0,0,0,0|0,0,2]=3 336 B8R1.5 O[C@H]1CCNC[C@@H]1F F10552 [0,1,0,0,0,0|1,0,2]=4 337 B8R1.5 O[C@H]1CCNC[C@@H]1F F19740 [0,1,0,0,0,0|1,0,2]=4 338 B8R1.5 O[C@H]1CCNC[C@H]1F F10553 [0,1,0,0,0,0|1,0,2]=4 339 B8R1.5 O[C@H]1CCNC[C@H]1F F20213 [0,1,0,0,0,0|1,0,2]=4 340 B8R1.5 O[C@H]1CCOC[C@H]1F F59954 [0,1,0,0,0,0|1,0,2]=4 341 B8R1.5 O[C@H]1CCOC[C@H]1F F60449 [0,1,0,0,0,0|1,0,2]=4 342 B8R1.5 O[C@H]1CNCC[C@@H]1F F10551 [0,1,0,0,0,0|1,0,2]=4 343 B8R1.5 O[C@H]1CNCC[C@H]1O P10148 [0,1,0,0,0,0|1,0,2]=4 344 B8R1.72 CC1(C)CCNCC1 D0628 [0,1,0,0,0,0|2,0,1]=4 345 B8R1.72 CC1(F)CCNCC1 F43473 [0,1,0,0,0,0|2,0,1]=4 346 B8R1.72 CC1(N)CCOCC1 M10391 [0,1,0,0,0,0|2,0,1]=4 347 B8R1.72 CC1(O)CCCCC1 M43886 [0,1,0,0,0,0|0,0,2]=3 348 B8R1.72 CC1(O)CCNCC1 H7439 [0,1,0,0,0,0|1,0,2]=4 349 B8R1.72 CC1(O)CCNCC1 M0127 [0,1,0,0,0,0|1,0,2]=4 350 B8R1.72 CC1(O)CCOCC1 M25219 [0,1,0,0,0,0|1,0,2]=4 351 B8R1.72 CC1(O)CCSCC1 M41569 [0,1,0,0,0,0|1,0,2]=4 352 B8R1.72 C[C@]1(O)CCCNC1 M1131 [0,1,0,0,0,0|1,0,2]=4 353 B8R1.72 C[C@]1(O)CCCNC1 M59908 [0,1,0,0,0,0|1,0,2]=4 354 B8R1.72 C[Si]1(C)CCNCC1 D29603 [0,1,0,0,0,0|2,1,0]=4 355 B8R1.72 FC1(F)CCCNC1 D36815 [0,1,0,0,0,0|2,0,1]=4 356 B8R1.72 FC1(F)CCCNC1 D7460 [0,1,0,0,0,0|2,0,1]=4 357 B8R1.72 FC1(F)CCNCC1 D41254 [0,1,0,0,0,0|2,0,1]=4 358 B8R1.72 FC1(F)CCNCC1 D6081 [0,1,0,0,0,0|2,0,1]=4 359 B8R1.72 O=S1(=O)CCCCN1 T40268 [0,1,0,0,0,0|2,0,0]=3 360 B8R1.72 O=S1(=O)CCCCO1 B69155 [0,1,0,0,0,0|2,0,0]=3 361 B8R1.72 O=S1(=O)CCNCC1 T12458 [0,1,0,0,0,0|2,0,0]=3 362 B8R1.72 O=S1(=O)CCNCC1 T7565 [0,1,0,0,0,0|2,0,0]=3 363 B8R1.72 O=S1(=O)CCOCC1 D40257 [0,1,0,0,0,0|2,0,0]=3 364 B8R1.72 OC1(O)CCNCC1 P0354 [0,1,0,0,0,0|1,0,2]=4 365 B6R0.1 C#CCC(=O)OC M41116 [0,0,1,0,0,0|1,0,2]=4 366 B6R0.1 CC#CC(=O)OC M62298 [0,0,1,0,0,0|1,0,2]=4 367 B6R0.1 CC=CC(=O)CC H41457 [0,0,1,0,0,0|0,0,2]=3 368 B6R0.1 CCC[C@@H](Cl)CC C63946 [0,0,1,0,0,0|1,0,1]=3 369 B6R0.1 CCC[C@H](N)CO A40443 [0,0,1,0,0,0|2,0,1]=4 370 B6R0.1 CCC[C@H](N)CO A66421 [0,0,1,0,0,0|2,0,1]=4 371 B6R0.1 CCOC(=O)C#N E15572 [0,0,1,0,0,0|2,0,1]=4 372 B6R0.1 CCOC(=O)CN G69291 [0,0,1,0,0,0|2,0,0]=3 373 B6R0.1 CCOC(=O)CO E37817 [0,0,1,0,0,0|2,0,0]=3 374 B6R0.1 CCOC(=O)NN E39139 [0,0,1,0,0,0|3,0,0]=4 375 B6R0.1 CCOC(=O)OC E40254 [0,0,1,0,0,0|2,0,0]=3 376 B6R0.1 CNC(=O)CC#N C40181 [0,0,1,0,0,0|2,0,1]=4 377 B6R0.1 CNC(=O)CCN A40306 [0,0,1,0,0,0|2,0,0]=3 378 B6R0.1 COC(=O)CC#N M68915 [0,0,1,0,0,0|2,0,1]=4 379 B6R0.1 COC(=O)CCBr M39155 [0,0,1,0,0,0|2,0,0]=3 380 B6R0.1 COC(=O)CCN M67902 [0,0,1,0,0,0|2,0,0]=3 381 B6R0.1 COC(=O)CCO M24551 [0,0,1,0,0,0|2,0,0]=3 382 B6R0.1 COC(=O)OCCl C62332 [0,0,1,0,0,0|3,0,0]=4 383 B6R0.1 COCC(=O)NN M39884 [0,0,1,0,0,0|3,0,0]=4 384 B6R0.4 C#CCCC(=O)O P68088 [0,0,1,0,0,0|1,0,2]=4 385 B6R0.4 C=CCCC(=O)O P37823 [0,0,1,0,0,0|1,0,2]=4 386 B6R0.4 C=CCCC(N)=O P5022 [0,0,1,0,0,0|1,0,2]=4 387 B6R0.4 CC(=O)CCCCl C68599 [0,0,1,0,0,0|1,0,0]=2 388 B6R0.4 CC(=O)NCCN A68626 [0,0,1,0,0,0|2,0,0]=3 389 B6R0.4 CC(=O)NCCO H68625 [0,0,1,0,0,0|2,0,0]=3 390 B6R0.4 CC(=O)OCCBr B67892 [0,0,1,0,0,0|2,0,0]=3 391 B6R0.4 CC(C)=CCCBr B0351 [0,0,1,0,0,0|2,0,1]=4 392 B6R0.4 CC(C)=CCC[Mg+] M31885 [0,0,1,0,0,0|2,0,1]=4 393 B6R0.4 CC(C)CCCO M67872 [0,0,1,0,0,0|2,0,1]=4 394 B6R0.4 CCCCC(=N)N P41343 [0,0,1,0,0,0|2,0,0]=3 395 B6R0.4 CCCCC(=O)[O-] S38573 [0,0,1,0,0,0|1,0,0]=2 396 B6R0.4 CCCOC(N)=O P40264 [0,0,1,0,0,0|2,0,0]=3 397 B6R0.4 CN(C)CCCBr B40430 [0,0,1,0,0,0|3,0,0]=4 398 B6R0.4 CN(C)CCCCl C69241 [0,0,1,0,0,0|3,0,0]=4 399 B6R0.4 CNCCC(=O)O M40350 [0,0,1,0,0,0|2,0,0]=3 400 B6R0.4 CNCCN(C)C T41392 [0,0,1,0,0,0|3,0,0]=4 401 B6R0.4 COC=CC(C)=O M41222 [0,0,1,0,0,0|1,0,2]=4 402 B6R0.4 COCCC(=O)O M40255 [0,0,1,0,0,0|2,0,0]=3 403 B6R0.4 N#CCCC(=O)O C69146 [0,0,1,0,0,0|2,0,1]=4 404 B6R0.4 NCCCC(N)=O A40304 [0,0,1,0,0,0|2,0,0]=3 405 B6R0.4 O=C(O)CCCBr B39154 [0,0,1,0,0,0|2,0,0]=3 406 B6R0.4 O=C(O)CCCCl C40232 [0,0,1,0,0,0|2,0,0]=3 407 B6R0.6 C#CCCCCI K43321 [0,0,1,0,0,0|2,0,1]=4 408 B6R0.6 C#CCCCCO H41456 [0,0,1,0,0,0|2,0,1]=4 409 B6R0.6 C=CCCCCBr B9212 [0,0,1,0,0,0|2,0,0]=3 410 B6R0.6 C=CCCCCO H41549 [0,0,1,0,0,0|2,0,0]=3 411 B6R0.6 C=CCCCC[Mg+] H5025 [0,0,1,0,0,0|2,0,0]=3 412 B6R0.6 CC=CCCCO H41548 [0,0,1,0,0,0|2,0,1]=4 413 B6R0.6 CCCCCC[Mg+] H31703 [0,0,1,0,0,0|1,0,1]=3 414 B6R0.6 CCCCCNC M41618 [0,0,1,0,0,0|2,0,0]=3 415 B6R0.6 CCCCN=[N+]=[N-] A1814 [0,0,1,0,0,0|3,0,0]=4 416 B6R0.6 CCOCCC#N E41255 [0,0,1,0,0,0|2,0,1]=4 417 B6R0.6 CNCCCCBr B40429 [0,0,1,0,0,0|2,0,1]=4 418 B6R0.6 CNCCCCO M38840 [0,0,1,0,0,0|1,0,2]=4 419 B6R0.6 COCCCCBr B40422 [0,0,1,0,0,0|2,0,1]=4 420 B6R0.6 ClCCCCCBr B39164 [0,0,1,0,0,0|2,0,1]=4 421 B6R0.6 FCCCCCBr B37978 [0,0,1,0,0,0|2,0,1]=4 422 B6R0.6 ICCCCCI D24633 [0,0,1,0,0,0|2,0,1]=4 423 B6R0.6 N#CCCCCBr B41217 [0,0,1,0,0,0|2,0,1]=4 424 B6R0.6 N#CCCCCCl C69554 [0,0,1,0,0,0|2,0,1]=4 425 B6R0.6 N#CCCCCN A6983 [0,0,1,0,0,0|2,0,1]=4 426 B6R0.6 O=CCCCCCl C41277 [0,0,1,0,0,0|1,0,0]=2 427 B6R0.6 O=CCCCCO H32202 [0,0,1,0,0,0|1,0,0]=2 428 B8R2.11 NC1C2COCC12 X38891 [0,0,0,1,0,0|2,0,1]=4 429 B8R2.11 N[C@@H]1[C@H]2COC[C@H]21 A13626 [0,0,0,1,0,0|2,0,1]=4 430 B8R2.11 O[C@H]1[C@@H]2CNC[C@H]12 A27611 [0,0,0,1,0,0|1,0,2]=4 431 B8R2.18 NC1CC2CC2C1 B11091 [0,0,0,1,0,0|1,0,1]=3 432 B8R2.18 O=C1CC2CC2C1 B43299 [0,0,0,1,0,0|0,0,0]=1 433 B8R2.23 C1NCC2CC1C2 A31840 [0,0,0,1,0,0|2,0,1]=4 434 B8R2.23 C1NCC2CC1O2 X15474 [0,0,0,1,0,0|1,0,2]=4 435 B8R2.23 C1NCC2CC1O2 X19506 [0,0,0,1,0,0|1,0,2]=4 436 B8R2.23 C1OCC2CC1N2 X30108 [0,0,0,1,0,0|2,0,1]=4 437 B8R2.25 C1CC2OC2CO1 D13598 [0,0,0,1,0,0|1,0,2]=4 438 B8R2.34 C1CC2CCC1N2 A0698 [0,0,0,1,0,0|1,0,1]=3 439 B8R2.34 C1CC2CCC1N2 A8159 [0,0,0,1,0,0|1,0,1]=3 440 B6R1.2 Br[C@H]1CCNC1 B40246 [0,0,0,0,1,0|2,0,1]=4 441 B6R1.2 Br[C@H]1CCOC1 B0393 [0,0,0,0,1,0|2,0,1]=4 442 B6R1.2 CC1=NCCC1 M41239 [0,0,0,0,1,0|2,0,0]=3 443 B6R1.2 C[C@@H]1CCCN1 M23610 [0,0,0,0,1,0|2,0,1]=4 444 B6R1.2 C[C@@H]1CCNC1 M22540 [0,0,0,0,1,0|2,0,1]=4 445 B6R1.2 C[C@H]1CCCN1 M21836 [0,0,0,0,1,0|2,0,1]=4 446 B6R1.2 C[C@H]1CCCN1 M24199 [0,0,0,0,1,0|2,0,1]=4 447 B6R1.2 C[C@H]1CCCN1 M24435 [0,0,0,0,1,0|2,0,1]=4 448 B6R1.2 C[C@H]1CCNC1 M22012 [0,0,0,0,1,0|2,0,1]=4 449 B6R1.2 C[C@H]1CCNC1 M69520 [0,0,0,0,1,0|2,0,1]=4 450 B6R1.2 F[C@@H]1CCNC1 F7494 [0,0,0,0,1,0|2,0,1]=4 451 B6R1.2 F[C@H]1CCNC1 F0136 [0,0,0,0,1,0|2,0,1]=4 452 B6R1.2 F[C@H]1CCNC1 F7493 [0,0,0,0,1,0|2,0,1]=4 453 B6R1.2 IC1CCCC1 I20419 [0,0,0,0,1,0|1,0,1]=3 454 B6R1.2 I[C@@H]1CCOC1 I1538 [0,0,0,0,1,0|2,0,1]=4 455 B6R1.2 I[C@H]1CCOC1 I0392 [0,0,0,0,1,0|2,0,1]=4 456 B6R1.2 I[C@H]1CCOC1 I1672 [0,0,0,0,1,0|2,0,1]=4 457 B6R1.2 NC1=NCCC1 D38561 [0,0,0,0,1,0|2,0,0]=3 458 B6R1.2 N[C@@H]1CCNC1 P16877 [0,0,0,0,1,0|2,0,1]=4 459 B6R1.2 N[C@@H]1CCNC1 P16878 [0,0,0,0,1,0|2,0,1]=4 460 B6R1.2 N[C@@H]1CCOC1 A7431 [0,0,0,0,1,0|2,0,1]=4 461 B6R1.2 N[C@@H]1CCOC1 X16388 [0,0,0,0,1,0|2,0,1]=4 462 B6R1.2 N[C@H]1CCNC1 P16879 [0,0,0,0,1,0|2,0,1]=4 463 B6R1.2 N[C@H]1CCNC1 P68854 [0,0,0,0,1,0|2,0,1]=4 464 B6R1.2 N[C@H]1CCOC1 A0023 [0,0,0,0,1,0|2,0,1]=4 465 B6R1.2 N[C@H]1CCOC1 A7432 [0,0,0,0,1,0|2,0,1]=4 466 B6R1.2 N[C@H]1CCOC1 T40344 [0,0,0,0,1,0|2,0,1]=4 467 B6R1.2 N[C@H]1CCOC1 X22238 [0,0,0,0,1,0|2,0,1]=4 468 B6R1.2 O=C1C=CCC1 C26583 [0,0,0,0,1,0|0,0,2]=3 469 B6R1.2 O=C1C=CCO1 F5673 [0,0,0,0,1,0|1,0,2]=4 470 B6R1.2 O=C1CC=CC1 C19712 [0,0,0,0,1,0|0,0,2]=3 471 B6R1.2 O=C1CC=NN1 P39834 [0,0,0,0,1,0|2,0,1]=4 472 B6R1.2 O=C1CCNC1 P0198 [0,0,0,0,1,0|1,0,0]=2 473 B6R1.2 O=C1CCNN1 P39917 [0,0,0,0,1,0|2,0,0]=3 474 B6R1.2 O=C1CCOC1 X0391 [0,0,0,0,1,0|1,0,0]=2 475 B6R1.2 O=C1CCSC1 D10906 [0,0,0,0,1,0|1,0,0]=2 476 B6R1.2 O=C1NCCN1 K62398 [0,0,0,0,1,0|2,0,0]=3 477 B6R1.2 O=C1NCCS1 T39859 [0,0,0,0,1,0|2,0,0]=3 478 B6R1.2 O[C@@H]1CCNC1 H7458 [0,0,0,0,1,0|1,0,2]=4 479 B6R1.2 O[C@@H]1CCNC1 P4643 [0,0,0,0,1,0|1,0,2]=4 480 B6R1.2 O[C@@H]1CCOC1 H7563 [0,0,0,0,1,0|1,0,2]=4 481 B6R1.2 O[C@H]1CCNC1 H0275 [0,0,0,0,1,0|1,0,2]=4 482 B6R1.2 O[C@H]1CCNC1 H7496 [0,0,0,0,1,0|1,0,2]=4 483 B6R1.2 O[C@H]1CCNC1 P0679 [0,0,0,0,1,0|1,0,2]=4 484 B6R1.2 O[C@H]1CCOC1 H0466 [0,0,0,0,1,0|1,0,2]=4 485 B6R1.2 O[C@H]1CCOC1 H10322 [0,0,0,0,1,0|1,0,2]=4 486 B6R1.2 [Mg+][C@H]1CCOC1 T2962 [0,0,0,0,1,0|2,0,1]=4 487 B8R1.22 CN1CCCNCC1 M1344 [0,0,0,0,0,1|2,0,0]=3 488 B8R1.22 C[C@H]1CCNCCN1 M13937 [0,0,0,0,0,1|2,0,1]=4 489 B8R1.22 F[C@H]1CCCNCC1 F12235 [0,0,0,0,0,1|1,0,1]=3 490 B8R1.22 N[C@@H]1CCCCNC1 A14699 [0,0,0,0,0,1|1,0,1]=3 491 B8R1.22 N[C@H]1CCCCNC1 A41604 [0,0,0,0,0,1|1,0,1]=3 492 B8R1.22 O=C1C=CCCCC1 C67890 [0,0,0,0,0,1|0,0,1]=2 493 B8R1.22 O=C1CCCNCC1 H12307 [0,0,0,0,0,1|0,0,0]=1 494 B8R1.22 O=C1CCOCCN1 X16165 [0,0,0,0,0,1|1,0,0]=2 495 B8R1.22 O=C1CCSCCN1 T6235 [0,0,0,0,0,1|1,0,0]=2 496 B8R1.22 O=C1CNCCCN1 D38834 [0,0,0,0,0,1|1,0,0]=2 497 B8R1.22 O[C@H]1CCCNCC1 H12234 [0,0,0,0,0,1|0,0,2]=3 498 B5R0.1 C=C(C)OCC E5573 [1,0,1,0,0,0|2,0,0]=4 499 B5R0.1 CC(=O)CC#N X40158 [1,0,1,0,0,0|1,0,1]=4 500 B5R0.1 CC(=O)CCCl C69539 [1,0,1,0,0,0|1,0,0]=3 501 B5R0.1 CCC[C@@H](C)N P16023 [1,0,1,0,0,0|1,0,1]=4 502 B5R0.1 CCC[C@H](C)N P22363 [1,0,1,0,0,0|1,0,1]=4 503 B5R0.1 CCOC(C)=N E68065 [1,0,1,0,0,0|2,0,0]=4 504 B5R0.1 CNCC(=O)O M68590 [1,0,1,0,0,0|2,0,0]=4 505 B5R0.1 CNCC(N)=O M68358 [1,0,1,0,0,0|2,0,0]=4 506 B5R0.1 COCC(=O)O M69331 [1,0,1,0,0,0|2,0,0]=4 507 B5R0.1 NCCC(N)=O A67869 [1,0,1,0,0,0|2,0,0]=4 508 B5R0.2 BrCCCCBr D69410 [1,0,1,0,0,0|2,0,0]=4 509 B5R0.2 C=CCCCBr B41237 [1,0,1,0,0,0|1,0,1]=4 510 B5R0.2 C=CCCCCl C41238 [1,0,1,0,0,0|1,0,1]=4 511 B5R0.2 C=CCCCO P36921 [1,0,1,0,0,0|1,0,1]=4 512 B5R0.2 CCCCON B40310 [1,0,1,0,0,0|2,0,0]=4 513 B5R0.2 CNCCCCl C39954 [1,0,1,0,0,0|2,0,0]=4 514 B5R0.2 CNCCCO M36844 [1,0,1,0,0,0|1,0,1]=4 515 B5R0.2 CNCCOC M23409 [1,0,1,0,0,0|2,0,0]=4 516 B5R0.2 COCCCBr B68335 [1,0,1,0,0,0|2,0,0]=4 517 B5R0.2 COCCCO M69411 [1,0,1,0,0,0|1,0,1]=4 518 B5R0.2 ClCCCCI C40239 [1,0,1,0,0,0|2,0,0]=4 519 B5R0.2 ICCCCI D37834 [1,0,1,0,0,0|2,0,0]=4 520 B5R0.2 NCCCCBr B39952 [1,0,1,0,0,0|2,0,0]=4 521 B5R0.2 NCCCCN D39162 [1,0,1,0,0,0|2,0,0]=4 522 B5R0.2 OCCCCBr B67330 [1,0,1,0,0,0|1,0,1]=4 523 B5R0.3 CCC(=O)CN A32390 [1,0,1,0,0,0|1,0,0]=3 524 B5R0.3 CCC(=O)CO H36713 [1,0,1,0,0,0|1,0,0]=3 525 B5R0.3 CCC(N)CC P40440 [1,0,1,0,0,0|1,0,1]=4 526 B5R0.3 CNC(=O)CBr B60913 [1,0,1,0,0,0|2,0,0]=4 527 B5R0.3 CNC(=O)CCl C67921 [1,0,1,0,0,0|2,0,0]=4 528 B5R0.3 COC(=O)CN M69126 [1,0,1,0,0,0|2,0,0]=4 529 B5R0.3 COC(=O)CO M67586 [1,0,1,0,0,0|2,0,0]=4 530 B5R0.3 O=C(CCl)CCl D4849 [1,0,1,0,0,0|2,0,0]=4 531 B7R0.2 CC(C)NC(=O)CCl P40378 [0,1,1,0,0,0|2,0,0]=4 532 B7R0.2 CC(C)OC(=O)CO I38145 [0,1,1,0,0,0|2,0,0]=4 533 B7R0.2 CCC(=O)CC(C)=O H69646 [0,1,1,0,0,0|0,0,1]=3 534 B7R0.2 CCC(=O)OC(C)=O A41227 [0,1,1,0,0,0|1,0,1]=4 535 B7R0.2 COC(=O)C[C@@H](C)N M41333 [0,1,1,0,0,0|1,0,0]=3 536 B7R0.2 COC(=O)C[C@@H](C)O M68364 [0,1,1,0,0,0|1,0,0]=3 537 B7R0.2 COC(=O)C[C@H](C)O M37970 [0,1,1,0,0,0|1,0,0]=3 538 B7R0.3 CCCCC(=O)NN P40425 [0,1,1,0,0,0|2,0,0]=4 539 B7R0.3 CCCC[C@@H]([Mg+])CC E31708 [0,1,1,0,0,0|1,0,1]=4 540 B7R0.3 CCCOC(=O)OC M40388 [0,1,1,0,0,0|1,0,0]=3 541 B7R0.3 CNCCC(=O)OC M40412 [0,1,1,0,0,0|1,0,0]=3 542 B7R0.3 COC(=N)CCCCl M40379 [0,1,1,0,0,0|2,0,0]=4 543 B7R0.3 COC(=O)CCCBr M39189 [0,1,1,0,0,0|1,0,0]=3 544 B7R0.3 COC(=O)CCCCl M60517 [0,1,1,0,0,0|1,0,0]=3 545 B7R0.3 COC(=O)CCCN M32376 [0,1,1,0,0,0|1,0,0]=3 546 B7R0.5 CC(C)C(=O)CC#N M43378 [0,1,1,0,0,0|1,0,1]=4 547 B7R0.5 CC(C)C(=O)OCCl C24559 [0,1,1,0,0,0|2,0,0]=4 548 B7R0.5 CCOC(=O)C(C)=O E60800 [0,1,1,0,0,0|1,0,1]=4 549 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [0,1,1,0,0,0|1,0,0]=3 550 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [0,1,1,0,0,0|1,0,0]=3 551 B7R0.5 CCOC(=O)[C@H](C)F E41270 [0,1,1,0,0,0|1,0,0]=3 552 B7R0.5 CCOC(=O)[C@H](C)S E40385 [0,1,1,0,0,0|1,0,0]=3 553 B7R0.7 CC#CC(=O)OCC E36835 [0,1,1,0,0,0|0,0,2]=4 554 B7R0.7 CCC[C@H](N)CCO A43513 [0,1,1,0,0,0|1,0,1]=4 555 B7R0.7 CCNC(=O)NCC D40424 [0,1,1,0,0,0|1,0,0]=3 556 B7R0.7 CCOC(=O)CCBr E39188 [0,1,1,0,0,0|1,0,0]=3 557 B7R0.7 CCOC(=O)CCI E41273 [0,1,1,0,0,0|1,0,0]=3 558 B7R0.7 CCOC(=O)CCO E36682 [0,1,1,0,0,0|1,0,0]=3 559 B7R0.7 CCOC(=O)CNC S69399 [0,1,1,0,0,0|1,0,0]=3 560 B7R0.7 CCOC(=O)CNN E67459 [0,1,1,0,0,0|2,0,0]=4 561 B7R0.7 CCOC(=O)CSC E40386 [0,1,1,0,0,0|1,0,0]=3 562 B7R0.7 CCOC(=O)OCCl C38646 [0,1,1,0,0,0|2,0,0]=4 563 B7R0.7 COCC(=O)COC D40391 [0,1,1,0,0,0|1,0,0]=3 564 B7R0.7 O=C(CCCl)CCCl D67616 [0,1,1,0,0,0|1,0,0]=3 565 B7R0.10 CCC(=O)C(=O)CC H41459 [0,1,1,0,0,0|0,0,1]=3 566 B7R0.10 CCC(=O)N(C)OC M40411 [0,1,1,0,0,0|2,0,0]=4 567 B7R0.10 CC[C@@H](N)C(=O)OC M61982 [0,1,1,0,0,0|1,0,0]=3 568 B7R0.10 CC[C@H](Br)C(=O)OC M68973 [0,1,1,0,0,0|1,0,0]=3 569 B7R0.10 CC[C@H](N)C(=O)OC M40408 [0,1,1,0,0,0|1,0,0]=3 570 B7R0.10 CC[C@H](N)C(=O)OC M41330 [0,1,1,0,0,0|1,0,0]=3 571 B7R0.10 CC[C@H](N)C(=O)OC M41334 [0,1,1,0,0,0|1,0,0]=3 572 B7R0.10 CN[C@@H](C)C(=O)OC M62351 [0,1,1,0,0,0|2,0,0]=4 573 B7R0.10 COC(=O)[C@@H](Br)CO M40234 [0,1,1,0,0,0|2,0,0]=4 574 B7R0.10 COC(=O)[C@@H](C)CBr M41268 [0,1,1,0,0,0|2,0,0]=4 575 B7R0.10 COC(=O)[C@@H](C)CO M25480 [0,1,1,0,0,0|2,0,0]=4 576 B7R0.10 COC(=O)[C@@H](Cl)CCl M69066 [0,1,1,0,0,0|2,0,0]=4 577 B7R0.10 COC(=O)[C@@H](F)CO M60918 [0,1,1,0,0,0|2,0,0]=4 578 B7R0.10 COC(=O)[C@@H](N)CO M68693 [0,1,1,0,0,0|2,0,0]=4 579 B7R0.10 COC(=O)[C@@H](N)CO S64541 [0,1,1,0,0,0|2,0,0]=4 580 B7R0.10 COC(=O)[C@@H](O)CN M61501 [0,1,1,0,0,0|2,0,0]=4 581 B7R0.10 COC(=O)[C@@H](O)CO M40259 [0,1,1,0,0,0|2,0,0]=4 582 B7R0.10 COC(=O)[C@H](C)CO M40393 [0,1,1,0,0,0|2,0,0]=4 583 B7R0.10 COC(=O)[C@H](N)CCl M69012 [0,1,1,0,0,0|2,0,0]=4 584 B7R0.10 COC(=O)[C@H](N)CS M69349 [0,1,1,0,0,0|2,0,0]=4 585 B7R0.10 COC(=O)[C@H](O)CO M40258 [0,1,1,0,0,0|2,0,0]=4 586 B7R0.4 C#CCCCC(=O)O H43301 [0,1,1,0,0,0|1,0,1]=4 587 B7R0.4 CC(=O)CCCCBr B41532 [0,1,1,0,0,0|0,0,0]=2 588 B7R0.4 CC(=O)OCCCBr B41266 [0,1,1,0,0,0|1,0,0]=3 589 B7R0.4 CC(=O)OCCCCl C39190 [0,1,1,0,0,0|1,0,0]=3 590 B7R0.4 CC(C)CCCCBr B43898 [0,1,1,0,0,0|1,0,1]=4 591 B7R0.4 CCCCC[C@H](C)O H43947 [0,1,1,0,0,0|0,0,2]=4 592 B7R0.4 CCCCOC(N)=O B39165 [0,1,1,0,0,0|1,0,0]=3 593 B7R0.4 CCCOCC(=O)O P40387 [0,1,1,0,0,0|1,0,0]=3 594 B7R0.4 CCC\C=C\C(=O)O H41460 [0,1,1,0,0,0|1,0,1]=4 595 B7R0.4 CN(C)CCCCO D41621 [0,1,1,0,0,0|2,0,0]=4 596 B7R0.4 CNCCCC(=O)O M63276 [0,1,1,0,0,0|1,0,0]=3 597 B7R0.4 COCCCC(=O)O M67387 [0,1,1,0,0,0|1,0,0]=3 598 B7R0.4 COCCNC(N)=O M36648 [0,1,1,0,0,0|2,0,0]=4 599 B7R0.4 N#CCCCC(=O)O C41166 [0,1,1,0,0,0|1,0,1]=4 600 B7R0.4 NC(=O)COCCCl C40247 [0,1,1,0,0,0|2,0,0]=4 601 B7R0.4 O=C(O)CCCCBr B39187 [0,1,1,0,0,0|1,0,0]=3 602 B7R0.4 O=C(O)CCCCCl C39191 [0,1,1,0,0,0|1,0,0]=3 603 B7R0.4 O=C(O)CCCCO H37199 [0,1,1,0,0,0|1,0,0]=3 604 B7R0.4 O=C(O)CNCCO H40270 [0,1,1,0,0,0|2,0,0]=4 605 B7R0.4 O=C(O)COCCCl C40236 [0,1,1,0,0,0|2,0,0]=4 606 B7R0.4 O=C([O-])CCCCO S41306 [0,1,1,0,0,0|1,0,0]=3 607 B7R0.6 CC(=O)CCC(C)=O H64912 [0,1,1,0,0,0|0,0,1]=3 608 B7R0.6 CC(=O)CNC(C)=O X41261 [0,1,1,0,0,0|1,0,1]=4 609 B7R0.6 CC(=O)NNC(C)C P40426 [0,1,1,0,0,0|2,0,0]=4 610 B7R0.6 CN(C)CCC(=O)O D41335 [0,1,1,0,0,0|2,0,0]=4 611 B7R0.6 C[C@H](O)CC[C@H](C)O H68605 [0,1,1,0,0,0|0,0,2]=4 612 B7R0.6 O=C(O)CCC(F)F D59737 [0,1,1,0,0,0|2,0,0]=4 613 B7R0.8 CS(=O)(=O)CCCO M6981 [0,1,1,0,0,0|2,0,0]=4 614 B7R0.1 BrCCCCCCBr D41534 [0,1,1,0,0,0|1,0,1]=4 615 B7R0.1 C#CCCCCCO H67855 [0,1,1,0,0,0|1,0,1]=4 616 B7R0.1 C=CCCCCCBr B43831 [0,1,1,0,0,0|1,0,0]=3 617 B7R0.1 C=CCCCCNC M43901 [0,1,1,0,0,0|1,0,0]=3 618 B7R0.1 C=CCCCCNC M46504 [0,1,1,0,0,0|1,0,0]=3 619 B7R0.1 CCCCCCCBr B43897 [0,1,1,0,0,0|1,0,1]=4 620 B7R0.1 CCCCCCC[Mg+] H31707 [0,1,1,0,0,0|1,0,1]=4 621 B7R0.1 CCCCCN=[N+]=[N-] A1948 [0,1,1,0,0,0|2,0,0]=4 622 B7R0.1 CNCCCCNC D41624 [0,1,1,0,0,0|2,0,0]=4 623 B7R0.1 ClCCCCCCBr B39200 [0,1,1,0,0,0|1,0,1]=4 624 B7R0.1 ClCCCCCCI C38559 [0,1,1,0,0,0|1,0,1]=4 625 B7R0.1 ICCCCCCI D41535 [0,1,1,0,0,0|1,0,1]=4 626 B7R0.1 NCCCCCCN H68834 [0,1,1,0,0,0|1,0,1]=4 627 B7R0.1 NCCCCCCO A36606 [0,1,1,0,0,0|0,0,2]=4 628 B7R0.1 O=CCCCCC=O A3137 [0,1,1,0,0,0|0,0,1]=3 629 B7R0.1 OCCCCCCBr B41603 [0,1,1,0,0,0|0,0,2]=4 630 B7R0.1 OCCCCCCCl C64682 [0,1,1,0,0,0|0,0,2]=4 631 B7R0.1 OCCCCCCI I4468 [0,1,1,0,0,0|0,0,2]=4 632 B7R0.1 [N-]=[N+]=NCCCC=O A3802 [0,1,1,0,0,0|2,0,0]=4 633 B7R1.1 BrCC1=CCCC1 B7551 [0,1,0,0,1,0|1,0,1]=4 634 B7R1.1 BrCC1CCCC1 B23399 [0,1,0,0,1,0|1,0,1]=4 635 B7R1.1 COC1=NCCC1 M69559 [0,1,0,0,1,0|1,0,1]=4 636 B7R1.1 NCC1CCCC1 C5395 [0,1,0,0,1,0|1,0,1]=4 637 B7R1.1 NNC1CCCC1 C22580 [0,1,0,0,1,0|1,0,1]=4 638 B7R1.1 O=CC1=CCCC1 C69466 [0,1,0,0,1,0|0,0,1]=3 639 B7R1.1 O=CC1CCCC1 C25963 [0,1,0,0,1,0|0,0,1]=3 640 B7R1.1 OCC1CCCC1 C23297 [0,1,0,0,1,0|0,0,2]=4 641 B7R1.2 CC1=CC(=O)CC1 M22783 [0,1,0,0,1,0|0,0,2]=4 642 B7R1.2 CN1CCC(=O)C1 M5444 [0,1,0,0,1,0|1,0,0]=3 643 B7R1.2 CN1CC[C@@H](N)C1 M0134 [0,1,0,0,1,0|2,0,0]=4 644 B7R1.2 CN1CC[C@@H](O)C1 H0285 [0,1,0,0,1,0|2,0,0]=4 645 B7R1.2 CN1CC[C@H](N)C1 M0133 [0,1,0,0,1,0|2,0,0]=4 646 B7R1.2 CN1CC[C@H](N)C1 M0135 [0,1,0,0,1,0|2,0,0]=4 647 B7R1.2 CN1CC[C@H](O)C1 H0283 [0,1,0,0,1,0|2,0,0]=4 648 B7R1.2 CN1CC[C@H](O)C1 H0284 [0,1,0,0,1,0|2,0,0]=4 649 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [0,1,0,0,1,0|1,0,0]=3 650 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [0,1,0,0,1,0|2,0,0]=4 651 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [0,1,0,0,1,0|1,0,0]=3 652 B7R1.2 C[C@H]1COC(=O)N1 M40226 [0,1,0,0,1,0|2,0,0]=4 653 B7R1.2 NC1CCC(O)C1 A1764 [0,1,0,0,1,0|0,0,2]=4 654 B7R1.2 N[C@@H]1CC[C@@H](O)C1 A27718 [0,1,0,0,1,0|0,0,2]=4 655 B7R1.2 N[C@@H]1CC[C@H](O)C1 A11831 [0,1,0,0,1,0|0,0,2]=4 656 B7R1.2 N[C@@H]1CC[C@H](O)C1 A18160 [0,1,0,0,1,0|0,0,2]=4 657 B7R1.2 N[C@@H]1CNC(=O)C1 A11620 [0,1,0,0,1,0|1,0,0]=3 658 B7R1.2 N[C@@H]1CNC(=O)C1 A20556 [0,1,0,0,1,0|1,0,0]=3 659 B7R1.2 N[C@@H]1CNC(=O)C1 A24834 [0,1,0,0,1,0|1,0,0]=3 660 B7R1.2 N[C@@H]1CNC(=O)C1 P21713 [0,1,0,0,1,0|1,0,0]=3 661 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [0,1,0,0,1,0|1,0,0]=3 662 B7R1.2 N[C@H]1CC[C@@H](F)C1 F60334 [0,1,0,0,1,0|1,0,1]=4 663 B7R1.2 N[C@H]1CC[C@@H](N)C1 C41386 [0,1,0,0,1,0|1,0,1]=4 664 B7R1.2 N[C@H]1CC[C@@H](O)C1 A18401 [0,1,0,0,1,0|0,0,2]=4 665 B7R1.2 N[C@H]1CC[C@H](N)C1 C41388 [0,1,0,0,1,0|1,0,1]=4 666 B7R1.2 N[C@H]1CC[C@H](O)C1 A11832 [0,1,0,0,1,0|0,0,2]=4 667 B7R1.2 N[C@H]1CC[C@H](O)C1 A20210 [0,1,0,0,1,0|0,0,2]=4 668 B7R1.2 N[C@H]1CNC(=O)C1 A27147 [0,1,0,0,1,0|1,0,0]=3 669 B7R1.2 N[C@H]1COC(=O)C1 A37707 [0,1,0,0,1,0|1,0,0]=3 670 B7R1.2 O=C1CCC(=O)C1 C13761 [0,1,0,0,1,0|0,0,1]=3 671 B7R1.2 O=C1CC[C@H](O)C1 H22750 [0,1,0,0,1,0|0,0,0]=2 672 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [0,1,0,0,1,0|1,0,0]=3 673 B7R1.2 O=C1C[C@@H](S)CN1 M12154 [0,1,0,0,1,0|1,0,0]=3 674 B7R1.2 O=C1C[C@H](O)CN1 H15629 [0,1,0,0,1,0|1,0,0]=3 675 B7R1.2 O=C1C[C@H](O)CN1 H38056 [0,1,0,0,1,0|1,0,0]=3 676 B7R1.2 O=C1OC[C@H](F)O1 F39135 [0,1,0,0,1,0|2,0,0]=4 677 B7R1.2 OC1CCC(O)C1 C24450 [0,1,0,0,1,0|0,0,2]=4 678 B7R1.2 O[C@@H]1CC[C@@H](O)C1 C20800 [0,1,0,0,1,0|0,0,2]=4 679 B7R1.2 O[C@H]1CC[C@@H](O)C1 C20799 [0,1,0,0,1,0|0,0,2]=4 680 B7R1.4 BrC1=C(Br)CCC1 D68539 [0,1,0,0,1,0|1,0,1]=4 681 B7R1.4 CN1CCCC1=S M6872 [0,1,0,0,1,0|1,1,0]=4 682 B7R1.4 CN1CCNC1=O M40241 [0,1,0,0,1,0|2,0,0]=4 683 B7R1.4 C[C@@H]1OCCC1=O M41223 [0,1,0,0,1,0|1,0,0]=3 684 B7R1.4 C[C@H]1CCCC1=O M41458 [0,1,0,0,1,0|0,0,0]=2 685 B7R1.4 C[C@H]1CCNC1=O M41257 [0,1,0,0,1,0|1,0,0]=3 686 B7R1.4 C[C@H]1CCOC1=O M41224 [0,1,0,0,1,0|1,0,0]=3 687 B7R1.4 NC1CCCC1O A40401 [0,1,0,0,1,0|0,0,2]=4 688 B7R1.4 NN1CCCC1=O A22230 [0,1,0,0,1,0|1,0,0]=3 689 B7R1.4 N[C@@H]1CCC[C@@H]1O A67556 [0,1,0,0,1,0|0,0,2]=4 690 B7R1.4 N[C@@H]1CCC[C@H]1F F59997 [0,1,0,0,1,0|1,0,1]=4 691 B7R1.4 N[C@@H]1CCC[C@H]1N C41387 [0,1,0,0,1,0|1,0,1]=4 692 B7R1.4 N[C@@H]1CCC[C@H]1O A27146 [0,1,0,0,1,0|0,0,2]=4 693 B7R1.4 N[C@@H]1CCC[C@H]1O A40405 [0,1,0,0,1,0|0,0,2]=4 694 B7R1.4 N[C@@H]1CCC[C@H]1O A41326 [0,1,0,0,1,0|0,0,2]=4 695 B7R1.4 N[C@@H]1CCNC1=O A40242 [0,1,0,0,1,0|1,0,0]=3 696 B7R1.4 N[C@@H]1CCNC1=O A62971 [0,1,0,0,1,0|1,0,0]=3 697 B7R1.4 N[C@@H]1CCOC1=O H68344 [0,1,0,0,1,0|1,0,0]=3 698 B7R1.4 N[C@H]1CCC[C@@H]1O A24888 [0,1,0,0,1,0|0,0,2]=4 699 B7R1.4 N[C@H]1CCC[C@H]1O A41327 [0,1,0,0,1,0|0,0,2]=4 700 B7R1.4 N[C@H]1CCNC1=O A24294 [0,1,0,0,1,0|1,0,0]=3 701 B7R1.4 N[C@H]1CCOC1=O A40300 [0,1,0,0,1,0|1,0,0]=3 702 B7R1.4 N[C@H]1CCOC1=O A40335 [0,1,0,0,1,0|1,0,0]=3 703 B7R1.4 O=C1CCC=C1Br B3409 [0,1,0,0,1,0|0,0,2]=4 704 B7R1.4 O=C1CCC=C1O H41119 [0,1,0,0,1,0|0,0,2]=4 705 B7R1.4 O=C1NCC[C@@H]1O H20173 [0,1,0,0,1,0|1,0,0]=3 706 B7R1.4 O=C1NCC[C@@H]1O H37914 [0,1,0,0,1,0|1,0,0]=3 707 B7R1.4 O=C1NCC[C@H]1O H40227 [0,1,0,0,1,0|1,0,0]=3 708 B7R1.4 O=C1OCC[C@@H]1Br B31114 [0,1,0,0,1,0|1,0,0]=3 709 B7R1.4 O[C@@H]1CCC[C@H]1O C67710 [0,1,0,0,1,0|0,0,2]=4 710 B7R1.14 CC1(O)CCCC1 M41551 [0,1,0,0,1,0|0,0,2]=4 711 B7R1.14 O=S1(=O)CCCN1 P12719 [0,1,0,0,1,0|2,0,0]=4 712 B7R1.14 O=S1(=O)CCCO1 X68360 [0,1,0,0,1,0|2,0,0]=4 713 B9R1.5 CN1CCCCCC1=O M39292 [0,1,0,0,0,1|0,0,0]=2 714 B9R1.5 CN1CCCNCC1=O M1178 [0,1,0,0,0,1|1,0,0]=3 715 B9R1.5 CN1CCNCCC1=O M41536 [0,1,0,0,0,1|1,0,0]=3 716 B9R1.5 CN1CCNCCC1=O M43468 [0,1,0,0,0,1|1,0,0]=3 717 B9R1.5 N[C@@H]1CCCCNC1=O A43466 [0,1,0,0,0,1|0,0,0]=2 718 B9R1.5 N[C@H]1CCCCNC1=O A24830 [0,1,0,0,0,1|0,0,0]=2 719 B9R1.5 N[C@H]1CCCCNC1=O A43463 [0,1,0,0,0,1|0,0,0]=2 720 B9R1.48 C[C@H]1CC(=O)NCCN1 H7872 [0,1,0,0,0,1|1,0,0]=3 721 B9R1.48 O=C1CCCCC(=O)C1 C37584 [0,1,0,0,0,1|0,0,0]=2 722 B9R1.48 O=C1CCCNC(=O)C1 A43379 [0,1,0,0,0,1|0,0,1]=3 723 B9R1.49 CN1CCC[C@H](N)CC1 M0131 [0,1,0,0,0,1|1,0,1]=4 724 B9R1.49 CN1CCC[C@H](O)CC1 H12303 [0,1,0,0,0,1|0,0,2]=4 725 B9R1.49 CN1CCNC(=O)CC1 M10175 [0,1,0,0,0,1|1,0,0]=3 726 B9R1.49 N[C@H]1CCCC(=O)NC1 A43464 [0,1,0,0,0,1|0,0,0]=2 727 B9R1.49 O=C1CCC[C@H](O)CN1 H41499 [0,1,0,0,0,1|0,0,0]=2 728 B9R1.89 COC1=NCCCCC1 M43840 [0,1,0,0,0,1|0,0,1]=3 729 B9R1.89 CO[C@H]1CCCNCC1 M16379 [0,1,0,0,0,1|0,0,2]=4 730 B9R1.89 CO[C@H]1CCCNCC1 M1861 [0,1,0,0,0,1|0,0,2]=4 731 B9R1.89 N#CC1CCCCCC1 C62451 [0,1,0,0,0,1|1,0,1]=4 732 B9R1.89 N#C[C@H]1CCCNCC1 A29590 [0,1,0,0,0,1|1,0,1]=4 733 B9R1.89 NCC1CCCCCC1 C49582 [0,1,0,0,0,1|1,0,1]=4 734 B9R1.89 OC[C@@H]1CCCCCN1 A64396 [0,1,0,0,0,1|0,0,2]=4 735 B9R1.89 OC[C@H]1CCCCNC1 A15700 [0,1,0,0,0,1|0,0,2]=4 736 B9R1.148 C[C@]1(O)CCCNCC1 H10268 [0,1,0,0,0,1|0,0,2]=4 737 B9R1.148 FC1(F)CCCNCC1 D1639 [0,1,0,0,0,1|1,0,1]=4 738 B9R1.148 O=S1(=O)CCCNCC1 T6238 [0,1,0,0,0,1|1,0,0]=3 739 B9R1.1 C#C[C@H]1CC[C@H](N)CC1 E59721 [0,2,0,0,0,0|1,0,1]=4 740 B9R1.1 C#C[C@H]1CC[C@H](O)CC1 E60262 [0,2,0,0,0,0|0,0,2]=4 741 B9R1.1 CCC1CCC(=O)CC1 E39441 [0,2,0,0,0,0|0,0,0]=2 742 B9R1.1 CCC1CCC(O)CC1 E47155 [0,2,0,0,0,0|0,0,2]=4 743 B9R1.1 CCN1CCC(O)CC1 E23233 [0,2,0,0,0,0|2,0,0]=4 744 B9R1.1 CN1CCC(C#N)CC1 M64041 [0,2,0,0,0,0|2,0,0]=4 745 B9R1.1 CN1CCC(CN)CC1 M7514 [0,2,0,0,0,0|2,0,0]=4 746 B9R1.1 CN1CCC(CO)CC1 M0388 [0,2,0,0,0,0|2,0,0]=4 747 B9R1.1 CN1CCC(NN)CC1 H41619 [0,2,0,0,0,0|2,0,0]=4 748 B9R1.1 CNC1CCC(O)CC1 M43910 [0,2,0,0,0,0|0,0,2]=4 749 B9R1.1 CNC1CCN(C)CC1 M25129 [0,2,0,0,0,0|2,0,0]=4 750 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 M11757 [0,2,0,0,0,0|0,0,2]=4 751 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 M46513 [0,2,0,0,0,0|0,0,2]=4 752 B9R1.1 CN[C@H]1CC[C@H](O)CC1 M11758 [0,2,0,0,0,0|0,0,2]=4 753 B9R1.1 CN[C@H]1CC[C@H](O)CC1 M26528 [0,2,0,0,0,0|0,0,2]=4 754 B9R1.1 COC1CCC(N)CC1 M43906 [0,2,0,0,0,0|0,0,2]=4 755 B9R1.1 COC1CCC(O)CC1 M43887 [0,2,0,0,0,0|0,0,2]=4 756 B9R1.1 CO[C@H]1CC[C@H](N)CC1 M43914 [0,2,0,0,0,0|0,0,2]=4 757 B9R1.1 CO[C@H]1CC[C@H](O)CC1 M43889 [0,2,0,0,0,0|0,0,2]=4 758 B9R1.1 N#CC1CCC(=O)CC1 X46386 [0,2,0,0,0,0|0,0,0]=2 759 B9R1.1 N#CC1CCC(N)CC1 A46478 [0,2,0,0,0,0|1,0,1]=4 760 B9R1.1 N#CC1CCC(O)CC1 H43771 [0,2,0,0,0,0|0,0,2]=4 761 B9R1.1 NC[C@H]1CCC(=O)NC1 A10714 [0,2,0,0,0,0|1,0,0]=3 762 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 A13284 [0,2,0,0,0,0|0,0,2]=4 763 B9R1.1 NC[C@H]1CC[C@H](O)CC1 A10700 [0,2,0,0,0,0|0,0,2]=4 764 B9R1.1 NC[C@H]1CC[C@H](O)CC1 A18732 [0,2,0,0,0,0|0,0,2]=4 765 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 A12151 [0,2,0,0,0,0|0,0,2]=4 766 B9R1.1 N[C@H]1CC[C@H](CO)CC1 A12152 [0,2,0,0,0,0|0,0,2]=4 767 B9R1.1 N[C@H]1CC[C@H](CO)CC1 A19999 [0,2,0,0,0,0|0,0,2]=4 768 B9R1.1 O=C1CC[C@H](CO)CN1 H38263 [0,2,0,0,0,0|1,0,0]=3 769 B9R1.1 O=C1CO[C@@H](CO)CN1 H26506 [0,2,0,0,0,0|2,0,0]=4 770 B9R1.1 O=C1CO[C@@H](CO)CN1 H41263 [0,2,0,0,0,0|2,0,0]=4 771 B9R1.1 O=C1CO[C@H](CO)CN1 H25634 [0,2,0,0,0,0|2,0,0]=4 772 B9R1.1 O=CC1CCC(=O)CC1 X43715 [0,2,0,0,0,0|0,0,0]=2 773 B9R1.2 CCN1CCNC(=O)C1 E43465 [0,2,0,0,0,0|2,0,0]=4 774 B9R1.2 CN1CCC[C@@H](CN)C1 M7250 [0,2,0,0,0,0|2,0,0]=4 775 B9R1.2 CN1CCC[C@@H](CN)C1 M7515 [0,2,0,0,0,0|2,0,0]=4 776 B9R1.2 CN1CCC[C@@H](CO)C1 M22241 [0,2,0,0,0,0|2,0,0]=4 777 B9R1.2 CN1CCC[C@H](CN)C1 M0254 [0,2,0,0,0,0|2,0,0]=4 778 B9R1.2 CN1CCC[C@H](CN)C1 M12326 [0,2,0,0,0,0|2,0,0]=4 779 B9R1.2 CN1CCC[C@H](CN)C1 M7251 [0,2,0,0,0,0|2,0,0]=4 780 B9R1.2 CN1CCC[C@H](CO)C1 M43913 [0,2,0,0,0,0|2,0,0]=4 781 B9R1.2 CN[C@H]1CCCN(C)C1 D63768 [0,2,0,0,0,0|2,0,0]=4 782 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 M59938 [0,2,0,0,0,0|0,0,2]=4 783 B9R1.2 N#C[C@H]1CCCC(=O)C1 X46385 [0,2,0,0,0,0|0,0,0]=2 784 B9R1.2 NC[C@H]1CCCC(=O)N1 A37687 [0,2,0,0,0,0|1,0,0]=3 785 B9R1.2 NC[C@H]1CCNC(=O)C1 A7242 [0,2,0,0,0,0|1,0,0]=3 786 B9R1.2 O=C1COC[C@H](CO)N1 H37541 [0,2,0,0,0,0|2,0,0]=4 787 B9R1.2 O=C1C[C@@H](CO)CCN1 X0577 [0,2,0,0,0,0|1,0,0]=3 788 B9R1.6 CC(=O)C1CCCCC1 C25535 [0,2,0,0,0,0|0,0,1]=3 789 B9R1.6 CC(=O)C1CCNCC1 P69462 [0,2,0,0,0,0|1,0,1]=4 790 B9R1.6 CC(=O)C1CCOCC1 T11195 [0,2,0,0,0,0|1,0,1]=4 791 B9R1.6 CC(=O)N1CCNCC1 A67843 [0,2,0,0,0,0|2,0,0]=4 792 B9R1.6 C[C@H](Br)C1CCCCC1 B37545 [0,2,0,0,0,0|1,0,1]=4 793 B9R1.6 NC(=O)C1CCNCC1 P10277 [0,2,0,0,0,0|1,0,1]=4 794 B9R1.6 NC(=O)C1CCNCC1 P43467 [0,2,0,0,0,0|1,0,1]=4 795 B9R1.6 NC(=O)[C@@H]1CCCNC1 P12324 [0,2,0,0,0,0|1,0,1]=4 796 B9R1.6 NC(=O)[C@@H]1CCCNC1 P7512 [0,2,0,0,0,0|1,0,1]=4 797 B9R1.6 NC(=O)[C@H]1CCCNC1 P12323 [0,2,0,0,0,0|1,0,1]=4 798 B9R1.6 NC(=O)[C@H]1CCCNC1 P7513 [0,2,0,0,0,0|1,0,1]=4 799 B9R1.6 O=C(Cl)C1CCOCC1 T3932 [0,2,0,0,0,0|1,0,1]=4 800 B9R1.6 O=C(O)C1=CCCCO1 D43311 [0,2,0,0,0,0|1,0,1]=4 801 B9R1.6 O=C(O)C1=COCCC1 D23573 [0,2,0,0,0,0|1,0,1]=4 802 B9R1.6 O=C(O)C1CCCCC1 C64950 [0,2,0,0,0,0|0,0,1]=3 803 B9R1.6 O=C(O)C1CCNCC1 P23933 [0,2,0,0,0,0|1,0,1]=4 804 B9R1.6 O=C(O)C1CCNCC1 P24453 [0,2,0,0,0,0|1,0,1]=4 805 B9R1.6 O=C(O)C1CCOCC1 T0117 [0,2,0,0,0,0|1,0,1]=4 806 B9R1.6 O=C(O)C1CCSCC1 T13091 [0,2,0,0,0,0|1,0,1]=4 807 B9R1.6 O=C(O)N1CCCCC1 P62582 [0,2,0,0,0,0|1,0,0]=3 808 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43440 [0,2,0,0,0,0|1,0,1]=4 809 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43443 [0,2,0,0,0,0|1,0,1]=4 810 B9R1.6 O=C(O)[C@@H]1CCCCO1 T31331 [0,2,0,0,0,0|1,0,1]=4 811 B9R1.6 O=C(O)[C@@H]1CCCNC1 P12310 [0,2,0,0,0,0|1,0,1]=4 812 B9R1.6 O=C(O)[C@H]1CCCCN1 P28251 [0,2,0,0,0,0|1,0,1]=4 813 B9R1.6 O=C(O)[C@H]1CCCNC1 P12311 [0,2,0,0,0,0|1,0,1]=4 814 B9R1.6 O=C(O)[C@H]1CCCNC1 P43444 [0,2,0,0,0,0|1,0,1]=4 815 B9R1.6 O=C(O)[C@H]1CCCOC1 T0697 [0,2,0,0,0,0|1,0,1]=4 816 B9R1.6 O=C(O)[C@H]1CCCSC1 T1163 [0,2,0,0,0,0|1,0,1]=4 817 B9R1.6 OB(O)C1=CCCCC1 C31070 [0,2,0,0,0,0|0,0,2]=4 818 B9R1.6 OB(O)C1CCCCC1 C2380 [0,2,0,0,0,0|0,0,2]=4 819 B9R1.8 BrCCC1CCCCC1 B0374 [0,2,0,0,0,0|1,0,1]=4 820 B9R1.8 BrCCN1CCCCC1 B43882 [0,2,0,0,0,0|2,0,0]=4 821 B9R1.8 ClCCN1CCCCC1 C13526 [0,2,0,0,0,0|2,0,0]=4 822 B9R1.8 ICCC1CCCCC1 I0264 [0,2,0,0,0,0|1,0,1]=4 823 B9R1.8 N#CCC1CCCCC1 C47050 [0,2,0,0,0,0|1,0,1]=4 824 B9R1.8 NCCC1CCCCC1 C49581 [0,2,0,0,0,0|1,0,1]=4 825 B9R1.8 NCCN1CCCCC1 P22781 [0,2,0,0,0,0|2,0,0]=4 826 B9R1.8 NCCN1CCCCC1 P46604 [0,2,0,0,0,0|2,0,0]=4 827 B9R1.8 O=CCC1CCOCC1 T12448 [0,2,0,0,0,0|1,0,1]=4 828 B9R1.8 O=CCN1CCOCC1 M13720 [0,2,0,0,0,0|2,0,0]=4 829 B9R1.8 [Mg+]CCC1CCCCC1 C31709 [0,2,0,0,0,0|1,0,1]=4 830 B9R1.8 [N-]=[N+]=NC1CCCCC1 A5618 [0,2,0,0,0,0|1,0,1]=4 831 B9R1.15 CN1CCCC[C@@H]1CCl C43885 [0,2,0,0,0,0|2,0,0]=4 832 B9R1.15 CN1CCCC[C@@H]1CO M43912 [0,2,0,0,0,0|2,0,0]=4 833 B9R1.15 CN1CCCC[C@@H]1CO M43916 [0,2,0,0,0,0|2,0,0]=4 834 B9R1.15 CN1CCCC[C@H]1CO M43917 [0,2,0,0,0,0|2,0,0]=4 835 B9R1.15 CO[C@H]1COCCC1=O M10506 [0,2,0,0,0,0|1,0,0]=3 836 B9R1.15 N#C[C@H]1CNCCC1=O C10195 [0,2,0,0,0,0|1,0,0]=3 837 B9R1.15 O=CC1=C(Cl)CCCC1 C46451 [0,2,0,0,0,0|0,0,1]=3 838 B9R1.118 CC1(C=O)CCOCC1 M29900 [0,2,0,0,0,0|1,0,1]=4 839 B9R1.118 NCC1(N)CCCCC1 A62273 [0,2,0,0,0,0|1,0,1]=4 840 B9R1.118 NCC1(O)CCCCC1 A63077 [0,2,0,0,0,0|0,0,2]=4 841 B9R1.10 CC1(C)C=CC(=O)CC1 D47014 [0,2,0,0,0,0|0,0,2]=4 842 B9R1.10 CC1(C)CCC(=O)CC1 D23641 [0,2,0,0,0,0|0,0,0]=2 843 B9R1.10 CC1(C)CCC(N)CC1 D22258 [0,2,0,0,0,0|1,0,1]=4 844 B9R1.10 CC1(C)CCC(O)CC1 D26593 [0,2,0,0,0,0|0,0,2]=4 845 B9R1.10 CC1(C)CNC(=O)CN1 D25392 [0,2,0,0,0,0|2,0,0]=4 846 B9R1.10 CC1(C)OCC(=O)CO1 D25156 [0,2,0,0,0,0|2,0,0]=4 847 B9R1.10 CC1(O)CCC(N)CC1 A12148 [0,2,0,0,0,0|0,0,2]=4 848 B9R1.10 C[C@]1(N)CC[C@@H](O)CC1 A15689 [0,2,0,0,0,0|0,0,2]=4 849 B9R1.10 C[C@]1(N)CC[C@@H](O)CC1 A26537 [0,2,0,0,0,0|0,0,2]=4 850 B9R1.10 C[C@]1(N)CC[C@H](O)CC1 A11689 [0,2,0,0,0,0|0,0,2]=4 851 B9R1.10 C[C@]1(O)CC[C@@H](O)CC1 M29578 [0,2,0,0,0,0|0,0,2]=4 852 B9R1.10 C[C@]1(O)CC[C@H](N)CC1 A8199 [0,2,0,0,0,0|0,0,2]=4 853 B9R1.10 C[C@]1(O)CC[C@H](N)CC1 A8200 [0,2,0,0,0,0|0,0,2]=4 854 B9R1.10 FC1(F)CCC(Br)CC1 B29545 [0,2,0,0,0,0|1,0,1]=4 855 B9R1.10 NC1CCC(F)(F)CC1 D5736 [0,2,0,0,0,0|1,0,1]=4 856 B9R1.10 NC1CCS(=O)(=O)CC1 A6164 [0,2,0,0,0,0|1,0,0]=3 857 B9R1.10 NC1CCS(=O)(=O)CC1 D11520 [0,2,0,0,0,0|1,0,0]=3 858 B9R1.10 O=C1CCC(F)(F)CC1 D5709 [0,2,0,0,0,0|0,0,0]=2 859 B9R1.10 O=C1CCC(F)(F)CN1 D15393 [0,2,0,0,0,0|1,0,0]=3 860 B9R1.10 O=C1CCS(=O)(=O)CC1 T6205 [0,2,0,0,0,0|1,0,0]=3 861 B9R1.10 O=S1(=O)CCC(O)CC1 H40395 [0,2,0,0,0,0|1,0,0]=3 862 B9R1.10 OC1CCC(F)(F)CC1 D22468 [0,2,0,0,0,0|0,0,2]=4 863 B9R1.69 CC1CC(N)CCN1C D13560 [0,2,0,0,0,0|2,0,0]=4 864 B9R1.69 CN1CC[C@H](N)CC1=O A0206 [0,2,0,0,0,0|1,0,0]=3 865 B9R1.69 CN1CC[C@H](N)CC1=O M7462 [0,2,0,0,0,0|1,0,0]=3 866 B9R1.69 CN1C[C@@H](N)CCC1=O A0588 [0,2,0,0,0,0|1,0,0]=3 867 B9R1.69 CN1C[C@@H](N)CCC1=O A12740 [0,2,0,0,0,0|1,0,0]=3 868 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 D13688 [0,2,0,0,0,0|2,0,0]=4 869 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 D43469 [0,2,0,0,0,0|2,0,0]=4 870 B9R1.69 C[C@H]1CCC(=O)NC1=O M43382 [0,2,0,0,0,0|1,0,1]=4 871 B9R1.69 C[C@H]1CN(C)C(=O)CN1 D13682 [0,2,0,0,0,0|2,0,0]=4 872 B9R1.69 C[C@H]1CN(C)C(=O)CN1 D30098 [0,2,0,0,0,0|2,0,0]=4 873 B9R1.69 C[C@H]1CN(C)CCC1=O D23777 [0,2,0,0,0,0|1,0,0]=3 874 B9R1.69 N[C@H]1CCC(=O)NC1=O A29783 [0,2,0,0,0,0|1,0,1]=4 875 B9R1.69 N[C@H]1CCC(=O)NC1=O A41311 [0,2,0,0,0,0|1,0,1]=4 876 B9R1.69 O=C1CC[C@H](Br)C(=O)N1 B41113 [0,2,0,0,0,0|1,0,1]=4 877 B9R1.3 CC1C(=O)CCCC1=O M69234 [0,2,0,0,0,0|0,0,1]=3 878 B9R1.3 CC1CCCC(O)C1C D47156 [0,2,0,0,0,0|0,0,2]=4 879 B9R1.3 CN1C(=O)CCCC1=O M37753 [0,2,0,0,0,0|1,0,1]=4 880 B9R1.3 CN1CCC[C@H](N)C1=O A11570 [0,2,0,0,0,0|1,0,0]=3 881 B9R1.3 CN1CCC[C@H](N)C1=O A14658 [0,2,0,0,0,0|1,0,0]=3 882 B9R1.3 CN1CCC[C@H](N)C1=O A43470 [0,2,0,0,0,0|1,0,0]=3 883 B9R1.3 O=C1CCCC(O)=C1I H60380 [0,2,0,0,0,0|0,0,2]=4 884 B9R1.34 CC1CC(=O)CC(=O)C1 M43717 [0,2,0,0,0,0|0,0,1]=3 885 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 D19918 [0,2,0,0,0,0|1,0,0]=3 886 B9R1.66 CC1(C)CC(=O)CCN1 D46484 [0,2,0,0,0,0|1,0,0]=3 887 B9R1.66 CC1(C)CC(=O)CCO1 D17314 [0,2,0,0,0,0|1,0,0]=3 888 B9R1.66 CC1(C)CCCC(=O)C1 D22905 [0,2,0,0,0,0|0,0,0]=2 889 B9R1.66 CC1(C)CCC[C@H](N)C1 D59653 [0,2,0,0,0,0|1,0,1]=4 890 B9R1.66 CN1CCC[C@](C)(N)C1 D17891 [0,2,0,0,0,0|2,0,0]=4 891 B9R1.66 O=C1CS(=O)(=O)CCN1 T63235 [0,2,0,0,0,0|2,0,0]=4 892 B9R1.40 CC1(C)CCCOC1=O D63281 [0,2,0,0,0,0|1,0,0]=3 893 B9R1.40 CC1(C)CNCCC1=O D11692 [0,2,0,0,0,0|1,0,0]=3 894 B9R1.40 CC1(C)COCCC1=O D24609 [0,2,0,0,0,0|1,0,0]=3 895 B9R1.40 CC1(C)NCCNC1=O D10774 [0,2,0,0,0,0|2,0,0]=4 896 B9R1.40 N[C@@H]1CCCCC1(F)F D20953 [0,2,0,0,0,0|1,0,1]=4 897 B9R1.40 N[C@H]1CCCCC1(F)F D20887 [0,2,0,0,0,0|1,0,1]=4 898 B9R1.40 O=C1CCNCC1(F)F D11695 [0,2,0,0,0,0|1,0,0]=3 899 B7R1.8 O=C1CC[C@@H]1CO H13228 [0,0,1,1,0,0|1,0,0]=3 900 B7R1.22 CCC(=O)C1CC1 C24823 [0,0,1,1,0,0|0,0,0]=2 901 B7R1.22 CC[C@H](O)C1CC1 C29750 [0,0,1,1,0,0|0,0,2]=4 902 B7R1.22 NNC(=O)C1CC1 C7568 [0,0,1,1,0,0|2,0,0]=4 903 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [0,0,1,1,0,0|1,0,0]=3 904 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [0,0,1,1,0,0|1,0,0]=3 905 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [0,0,1,1,0,0|1,0,0]=3 906 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [0,0,1,1,0,0|1,0,0]=3 907 B7R1.12 O=C(O)C1CC1F F20460 [0,0,1,1,0,0|2,0,0]=4 908 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F F8695 [0,0,1,1,0,0|2,0,0]=4 909 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I K67056 [0,0,1,1,0,0|2,0,0]=4 910 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F18516 [0,0,1,1,0,0|2,0,0]=4 911 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F21701 [0,0,1,1,0,0|2,0,0]=4 912 B7R1.12 O=C(O)[C@H]1C[C@@H]1F F21702 [0,0,1,1,0,0|2,0,0]=4 913 B7R1.18 CC(=O)C1CCC1 C22926 [0,0,1,1,0,0|0,0,0]=2 914 B7R1.18 CC(=O)C1CNC1 A18542 [0,0,1,1,0,0|1,0,0]=3 915 B7R1.18 C[C@H](N)C1CCC1 C29990 [0,0,1,1,0,0|1,0,1]=4 916 B7R1.18 N=C(N)C1CCC1 C11379 [0,0,1,1,0,0|2,0,0]=4 917 B7R1.18 NC(=O)C1CCC1 C36760 [0,0,1,1,0,0|1,0,0]=3 918 B7R1.18 NC(=O)C1CNC1 A0189 [0,0,1,1,0,0|2,0,0]=4 919 B7R1.18 NC(=O)C1CNC1 A10232 [0,0,1,1,0,0|2,0,0]=4 920 B7R1.18 O=C(O)C1CCC1 C39184 [0,0,1,1,0,0|1,0,0]=3 921 B7R1.18 O=C(O)C1CNC1 A0022 [0,0,1,1,0,0|2,0,0]=4 922 B7R1.18 O=C(O)C1CNC1 A62344 [0,0,1,1,0,0|2,0,0]=4 923 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [0,0,1,1,0,0|2,0,0]=4 924 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [0,0,1,1,0,0|2,0,0]=4 925 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [0,0,1,1,0,0|2,0,0]=4 926 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [0,0,1,1,0,0|2,0,0]=4 927 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [0,0,1,1,0,0|2,0,0]=4 928 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [0,0,1,1,0,0|2,0,0]=4 929 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [0,0,1,1,0,0|2,0,0]=4 930 B7R1.20 O=C(O)CC1CC1 C11216 [0,0,1,1,0,0|1,0,0]=3 931 B7R1.24 C1=CCCNCC1 T67173 [0,0,1,1,0,0|2,0,0]=4 932 B7R1.24 C1CCCNCC1 H64495 [0,0,1,1,0,0|1,0,1]=4 933 B7R2.13 C1CC2CC2N1 A13958 [1,0,0,1,0,0|1,0,0]=3 934 B7R2.13 C1CC2CC2N1 A25593 [1,0,0,1,0,0|1,0,0]=3 935 B7R2.13 C1NCC2CC12 A13737 [1,0,0,1,0,0|1,0,0]=3 936 B7R2.13 C1NCC2CC12 A1579 [1,0,0,1,0,0|1,0,0]=3 937 B7R2.13 C1OCC2OC12 E12004 [1,0,0,1,0,0|2,0,0]=4 938 B9R2.6 CC12CCNCC1C2 M15531 [0,0,0,1,0,1|1,0,1]=4 939 B9R2.6 CC12CCNCC1C2 M29994 [0,0,0,1,0,1|1,0,1]=4 940 B9R2.6 NC12CCCCC1C2 B60483 [0,0,0,1,0,1|1,0,1]=4 941 B9R2.7 CN1CC2CNCC21 M13131 [0,0,0,1,0,1|2,0,0]=4 942 B9R2.7 CN1C[C@@H]2CNC[C@@H]21 M13126 [0,0,0,1,0,1|2,0,0]=4 943 B9R2.7 CN1C[C@H]2CNC[C@H]21 M13127 [0,0,0,1,0,1|2,0,0]=4 944 B9R2.21 O=C1CC2CC2CN1 A59683 [0,0,0,1,0,1|0,0,0]=2 945 B9R2.33 CN1CC2CNC2C1 M13128 [0,0,0,1,0,1|2,0,0]=4 946 B9R2.33 CN1C[C@@H]2CN[C@@H]2C1 M13130 [0,0,0,1,0,1|2,0,0]=4 947 B9R2.33 CN1C[C@H]2CN[C@H]2C1 M13129 [0,0,0,1,0,1|2,0,0]=4 948 B9R2.68 C1CC2CCC(C1)N2 A1635 [0,0,0,1,0,1|1,0,1]=4 949 B9R2.68 C1CC2CCC(C1)N2 A29908 [0,0,0,1,0,1|1,0,1]=4 950 B9R2.68 C1CC2CNCC1N2 D43558 [0,0,0,1,0,1|1,0,1]=4 951 B9R2.68 C1CC2CNCC1O2 X14974 [0,0,0,1,0,1|0,0,2]=4 952 B9R2.68 C1CC2CNCC1O2 X6234 [0,0,0,1,0,1|0,0,2]=4 953 B9R2.68 C1CC2COCC1N2 X11304 [0,0,0,1,0,1|1,0,1]=4 954 B9R2.68 C1CC2COCC1N2 X14120 [0,0,0,1,0,1|1,0,1]=4 955 B9R2.68 C1CN2CCC(C2)N1 D11752 [0,0,0,1,0,1|2,0,0]=4 956 B9R2.68 C1CN2CC[C@@H](C2)N1 D14976 [0,0,0,1,0,1|2,0,0]=4 957 B9R2.68 C1CN2CC[C@H](C2)N1 D11753 [0,0,0,1,0,1|2,0,0]=4 958 B9R2.109 O=C1CCCC2CC12 B13672 [0,0,0,1,0,1|0,0,0]=2 959 B9R2.109 O=C1CCCC2OC12 X43306 [0,0,0,1,0,1|0,0,0]=2 960 B9R2.123 NC1C2CCCCC12 B60253 [0,0,0,1,0,1|1,0,1]=4 961 B9R2.49 C1CC2CCC1CN2 A11448 [0,1,0,1,0,0|1,0,1]=4 962 B9R2.49 C1CC2CCC1CN2 A8975 [0,1,0,1,0,0|1,0,1]=4 963 B9R2.49 C1CN2CCC1CC2 Q68615 [0,1,0,1,0,0|2,0,0]=4 964 B9R2.53 O=C1C2CNCC1C2 A20053 [0,1,0,1,0,0|1,0,0]=3 965 B9R2.19 O=C1NCC2CC1N2 X13999 [0,1,0,1,0,0|1,0,0]=3 966 B9R2.54 CN1C[C@H]2[C@H](N)[C@H]2C1 M0505 [0,1,0,1,0,0|2,0,0]=4 967 B9R2.8 CN1CC2CC(C1)N2 M60019 [0,1,0,1,0,0|2,0,0]=4 968 B9R2.8 O=C1CC2CC(C1)C2 B60206 [0,1,0,1,0,0|0,0,0]=2 969 B9R2.25 O=C1OC(=O)C2CC12 X24282 [0,1,0,1,0,0|1,0,1]=4 970 B9R2.38 CN1CC2CC2(N)C1 M60086 [0,1,0,1,0,0|2,0,0]=4 971 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 B61600 [0,1,0,1,0,0|1,0,1]=4 972 B9R2.39 O=C1NC2CCC1C2 A64651 [0,1,0,1,0,0|1,0,0]=3 973 B9R2.39 O=C1OC2CCC1C2 X31814 [0,1,0,1,0,0|1,0,0]=3 974 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 X43582 [0,1,0,1,0,0|2,0,0]=4 975 B9R2.39 O[C@@H]1C[C@@H]2CC[C@H]1N2 A27101 [0,1,0,1,0,0|0,0,2]=4 976 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1C2 B62162 [0,1,0,1,0,0|0,0,2]=4 977 B9R2.39 O[C@@H]1C[C@H]2CC[C@H]1N2 A13086 [0,1,0,1,0,0|0,0,2]=4 978 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1N2 A27100 [0,1,0,1,0,0|0,0,2]=4 979 B9R2.39 O[C@H]1C[C@H]2CC[C@H]1N2 A13085 [0,1,0,1,0,0|0,0,2]=4 980 B5R1.1 C1=CCNC1 D40328 [1,0,0,0,1,0|1,0,1]=4 981 B5R1.1 C1CNNC1 P39938 [1,0,0,0,1,0|2,0,0]=4 982 B5R1.1 C1CSCN1 T38217 [1,0,0,0,1,0|2,0,0]=4 983 B5R1.1 C1CSCN1 T60563 [1,0,0,0,1,0|2,0,0]=4 984 B5R1.2 BrC1CCC1 B23687 [0,0,0,0,2,0|1,0,1]=4 985 B5R1.2 IC1CCC1 I23424 [0,0,0,0,2,0|1,0,1]=4 986 B5R1.2 NC1CCC1 C60561 [0,0,0,0,2,0|1,0,1]=4 987 B5R1.2 O=C1CCC1 C8674 [0,0,0,0,2,0|0,0,0]=2 988 B5R1.2 O=C1CNC1 A1318 [0,0,0,0,2,0|1,0,0]=3 989 B5R1.2 O=C1COC1 O4015 [0,0,0,0,2,0|1,0,0]=3 990 B5R1.2 O=C1CSC1 T6026 [0,0,0,0,2,0|1,0,0]=3 991 B5R1.2 [Mg+]C1CCC1 P5028 [0,0,0,0,2,0|1,0,1]=4 992 B9R1.50 Br[C@@H]1CCC=CCCC1 B47049 [0,0,0,0,0,2|1,0,1]=4 993 B9R1.50 O=C1CCCCCCC1 C67881 [0,0,0,0,0,2|0,0,0]=2 994 B9R1.50 O=C1CCCCCCN1 A69570 [0,0,0,0,0,2|0,0,0]=2 995 B9R1.50 O[C@@H]1CCC=CCCC1 C9796 [0,0,0,0,0,2|0,0,2]=4