0 B6R1.1 C1=CCNCC1 T0540 [0,0,0,0,0,0|1,0,1]=2 1 B6R1.1 C1=CCOCC1 D10810 [0,0,0,0,0,0|2,0,1]=3 2 B6R1.1 C1CCNCC1 P67647 [0,0,0,0,0,0|1,0,0]=1 3 B6R1.1 C1CCNNC1 H8288 [0,0,0,0,0,0|2,0,0]=2 4 B6R1.1 C1CCONC1 X13780 [0,0,0,0,0,0|2,0,0]=2 5 B6R1.1 C1CCONC1 X40342 [0,0,0,0,0,0|2,0,0]=2 6 B6R1.1 C1CNCOC1 X40263 [0,0,0,0,0,0|2,0,0]=2 7 B6R1.1 C1CSCCN1 T17901 [0,0,0,0,0,0|1,0,0]=1 8 B7R1.3 BrC1CCCCC1 B69054 [0,1,0,0,0,0|2,0,0]=3 9 B7R1.3 BrC1CCNCC1 B40375 [0,1,0,0,0,0|1,0,0]=2 10 B7R1.3 BrC1CCOCC1 B1507 [0,1,0,0,0,0|2,0,0]=3 11 B7R1.3 BrC1CCSCC1 B31817 [0,1,0,0,0,0|2,0,0]=3 12 B7R1.3 C=C1CCNCC1 M19855 [0,1,0,0,0,0|1,0,0]=2 13 B7R1.3 C=C1CCOCC1 M23324 [0,1,0,0,0,0|2,0,0]=3 14 B7R1.3 CC1=CCCNC1 M12102 [0,1,0,0,0,0|1,0,1]=3 15 B7R1.3 CC1=CCNCC1 M26826 [0,1,0,0,0,0|1,0,1]=3 16 B7R1.3 CC1SCCCS1 M63108 [0,1,0,0,0,0|3,0,0]=4 17 B7R1.3 CN1CCNCC1 M13367 [0,1,0,0,0,0|0,0,0]=1 18 B7R1.3 C[C@@H]1CCCNC1 M43474 [0,1,0,0,0,0|1,0,0]=2 19 B7R1.3 C[C@@H]1CNCCN1 M10716 [0,1,0,0,0,0|0,0,0]=1 20 B7R1.3 C[C@@H]1CNCCO1 M15403 [0,1,0,0,0,0|1,0,0]=2 21 B7R1.3 C[C@@H]1CNCCO1 M28760 [0,1,0,0,0,0|1,0,0]=2 22 B7R1.3 C[C@@H]1COCCN1 M26868 [0,1,0,0,0,0|1,0,0]=2 23 B7R1.3 C[C@@H]1COCCN1 M9009 [0,1,0,0,0,0|1,0,0]=2 24 B7R1.3 C[C@H]1CCCCN1 M43475 [0,1,0,0,0,0|1,0,0]=2 25 B7R1.3 C[C@H]1CNCCN1 M10717 [0,1,0,0,0,0|0,0,0]=1 26 B7R1.3 C[C@H]1CNCCO1 M15401 [0,1,0,0,0,0|1,0,0]=2 27 B7R1.3 C[C@H]1CNCCO1 M15402 [0,1,0,0,0,0|1,0,0]=2 28 B7R1.3 C[C@H]1CNCCO1 M29509 [0,1,0,0,0,0|1,0,0]=2 29 B7R1.3 C[C@H]1CNCCO1 M41323 [0,1,0,0,0,0|1,0,0]=2 30 B7R1.3 C[C@H]1COCCN1 M23631 [0,1,0,0,0,0|1,0,0]=2 31 B7R1.3 C[C@H]1COCCN1 M41324 [0,1,0,0,0,0|1,0,0]=2 32 B7R1.3 C[C@H]1COCCN1 M8924 [0,1,0,0,0,0|1,0,0]=2 33 B7R1.3 ClC1CCNCC1 C40376 [0,1,0,0,0,0|1,0,0]=2 34 B7R1.3 ClC1CCOCC1 C4527 [0,1,0,0,0,0|2,0,0]=3 35 B7R1.3 FC1CCNCC1 F6080 [0,1,0,0,0,0|1,0,0]=2 36 B7R1.3 F[C@@H]1CCCNC1 F7495 [0,1,0,0,0,0|1,0,0]=2 37 B7R1.3 F[C@H]1CCCNC1 F1651 [0,1,0,0,0,0|1,0,0]=2 38 B7R1.3 F[C@H]1CCCNC1 F7461 [0,1,0,0,0,0|1,0,0]=2 39 B7R1.3 IC1CCOCC1 I1189 [0,1,0,0,0,0|2,0,0]=3 40 B7R1.3 IC1CCSCC1 I31818 [0,1,0,0,0,0|2,0,0]=3 41 B7R1.3 NC1=NCCCN1 A40341 [0,1,0,0,0,0|2,0,1]=4 42 B7R1.3 NC1CCCCC1 C39283 [0,1,0,0,0,0|2,0,0]=3 43 B7R1.3 NC1CCNCC1 P67610 [0,1,0,0,0,0|1,0,0]=2 44 B7R1.3 NC1CCOCC1 A1504 [0,1,0,0,0,0|2,0,0]=3 45 B7R1.3 NC1CCOCC1 T1169 [0,1,0,0,0,0|2,0,0]=3 46 B7R1.3 NC1CCSCC1 T22381 [0,1,0,0,0,0|2,0,0]=3 47 B7R1.3 NC1CCSCC1 T5312 [0,1,0,0,0,0|2,0,0]=3 48 B7R1.3 NN1CCOCC1 A39946 [0,1,0,0,0,0|1,0,0]=2 49 B7R1.3 N[C@@H]1CCCNC1 A10836 [0,1,0,0,0,0|1,0,0]=2 50 B7R1.3 N[C@@H]1CCCNC1 P32424 [0,1,0,0,0,0|1,0,0]=2 51 B7R1.3 N[C@@H]1CCCOC1 X18615 [0,1,0,0,0,0|2,0,0]=3 52 B7R1.3 N[C@H]1CCCNC1 P41385 [0,1,0,0,0,0|1,0,0]=2 53 B7R1.3 N[C@H]1CCCNC1 P67457 [0,1,0,0,0,0|1,0,0]=2 54 B7R1.3 N[C@H]1CCCOC1 T1132 [0,1,0,0,0,0|2,0,0]=3 55 B7R1.3 N[C@H]1CCCOC1 X17960 [0,1,0,0,0,0|2,0,0]=3 56 B7R1.3 O=C1C=CCCN1 D67780 [0,1,0,0,0,0|1,0,2]=4 57 B7R1.3 O=C1CCCCN1 P69632 [0,1,0,0,0,0|1,0,1]=3 58 B7R1.3 O=C1CCCNC1 P1523 [0,1,0,0,0,0|1,0,1]=3 59 B7R1.3 O=C1CCCNC1 P31811 [0,1,0,0,0,0|1,0,1]=3 60 B7R1.3 O=C1CCCOC1 T7026 [0,1,0,0,0,0|2,0,1]=4 61 B7R1.3 O=C1CCCSC1 T1776 [0,1,0,0,0,0|2,0,1]=4 62 B7R1.3 O=C1CCNCC1 P23503 [0,1,0,0,0,0|1,0,0]=2 63 B7R1.3 O=C1CCOCC1 T4632 [0,1,0,0,0,0|2,0,0]=3 64 B7R1.3 O=C1CCSCC1 T6200 [0,1,0,0,0,0|2,0,0]=3 65 B7R1.3 O=C1CNCCN1 P10419 [0,1,0,0,0,0|0,0,1]=2 66 B7R1.3 O=C1COCCN1 M7700 [0,1,0,0,0,0|1,0,1]=3 67 B7R1.3 O=C1COCCO1 D38663 [0,1,0,0,0,0|2,0,1]=4 68 B7R1.3 O=C1CSCCN1 T40230 [0,1,0,0,0,0|1,0,1]=3 69 B7R1.3 O=S1CCNCC1 T5787 [0,1,0,0,0,0|1,0,0]=2 70 B7R1.3 OC1CCNCC1 P24137 [0,1,0,0,0,0|1,0,0]=2 71 B7R1.3 OC1CCNCC1 P41321 [0,1,0,0,0,0|1,0,0]=2 72 B7R1.3 OC1CCOCC1 H0389 [0,1,0,0,0,0|2,0,0]=3 73 B7R1.3 OC1CCSCC1 H31816 [0,1,0,0,0,0|2,0,0]=3 74 B7R1.3 OC1COCOC1 D38760 [0,1,0,0,0,0|3,0,0]=4 75 B7R1.3 O[C@@H]1CCCNC1 H12298 [0,1,0,0,0,0|1,0,0]=2 76 B7R1.3 O[C@@H]1CCCNC1 H1652 [0,1,0,0,0,0|1,0,0]=2 77 B7R1.3 O[C@@H]1CCCOC1 T15984 [0,1,0,0,0,0|2,0,0]=3 78 B7R1.3 O[C@@H]1CNCCO1 M40347 [0,1,0,0,0,0|1,0,0]=2 79 B7R1.3 O[C@H]1CCCNC1 H0276 [0,1,0,0,0,0|1,0,0]=2 80 B7R1.3 O[C@H]1CCCNC1 H10264 [0,1,0,0,0,0|1,0,0]=2 81 B7R1.3 O[C@H]1CCCNC1 H10265 [0,1,0,0,0,0|1,0,0]=2 82 B7R1.3 O[C@H]1CCCNC1 H4736 [0,1,0,0,0,0|1,0,0]=2 83 B7R1.3 O[C@H]1CCCOC1 H11398 [0,1,0,0,0,0|2,0,0]=3 84 B7R1.3 O[C@H]1CCCOC1 T25087 [0,1,0,0,0,0|2,0,0]=3 85 B7R1.3 SC1CCNCC1 P11895 [0,1,0,0,0,0|1,0,0]=2 86 B7R1.3 S[C@H]1CCCNC1 P15399 [0,1,0,0,0,0|1,0,0]=2 87 B7R1.3 [Mg+]C1CCCCC1 C31701 [0,1,0,0,0,0|2,0,0]=3 88 B7R1.3 [Mg+]C1CCOCC1 T8353 [0,1,0,0,0,0|2,0,0]=3 89 B7R1.3 [Mg+]C1CCOCC1 T8354 [0,1,0,0,0,0|2,0,0]=3 90 B7R1.3 [Mg+]C1CCSCC1 T31824 [0,1,0,0,0,0|2,0,0]=3 91 B5R0.2 BrCCCCBr D69410 [0,0,1,0,0,0|3,0,0]=4 92 B5R0.2 C#CCCCN P41368 [0,0,1,0,0,0|1,0,2]=4 93 B5R0.2 CCCCON B40310 [0,0,1,0,0,0|2,0,0]=3 94 B5R0.2 CNCCCCl C39954 [0,0,1,0,0,0|2,0,0]=3 95 B5R0.2 CNCCCO M36844 [0,0,1,0,0,0|2,0,0]=3 96 B5R0.2 CNCCOC M23409 [0,0,1,0,0,0|1,0,0]=2 97 B5R0.2 COCCC#N M39153 [0,0,1,0,0,0|3,0,0]=4 98 B5R0.2 COCCCBr B68335 [0,0,1,0,0,0|3,0,0]=4 99 B5R0.2 COCCCO M69411 [0,0,1,0,0,0|3,0,0]=4 100 B5R0.2 ClCCCCI C40239 [0,0,1,0,0,0|3,0,0]=4 101 B5R0.2 ICCCCI D37834 [0,0,1,0,0,0|3,0,0]=4 102 B5R0.2 NCCCCBr B39952 [0,0,1,0,0,0|2,0,0]=3 103 B5R0.2 NCCCCN D39162 [0,0,1,0,0,0|2,0,0]=3 104 B5R0.2 NC\C=C/CCl C65470 [0,0,1,0,0,0|2,0,1]=4 105 B5R0.2 NC\C=C/CN B69714 [0,0,1,0,0,0|2,0,1]=4 106 B5R0.2 OCCCCBr B67330 [0,0,1,0,0,0|3,0,0]=4 107 B7R2.13 C1CC2CC2N1 A13958 [0,0,0,1,0,0|1,0,0]=2 108 B7R2.13 C1CC2CC2N1 A25593 [0,0,0,1,0,0|1,0,0]=2 109 B7R2.13 C1NCC2CC12 A13737 [0,0,0,1,0,0|1,0,0]=2 110 B7R2.13 C1NCC2CC12 A1579 [0,0,0,1,0,0|1,0,0]=2 111 B7R2.13 C1OCC2OC12 E12004 [0,0,0,1,0,0|2,0,0]=3 112 B5R1.1 C1=CCNC1 D40328 [0,0,0,0,1,0|0,0,2]=3 113 B5R1.1 C1CNNC1 P39938 [0,0,0,0,1,0|1,0,0]=2 114 B5R1.1 C1CSCN1 T38217 [0,0,0,0,1,0|1,0,0]=2 115 B5R1.1 C1CSCN1 T60563 [0,0,0,0,1,0|1,0,0]=2 116 B7R1.24 C1=CCCNCC1 T67173 [0,0,0,0,0,1|1,0,0]=2 117 B7R1.24 C1CCCNCC1 H64495 [0,0,0,0,0,1|1,0,0]=2 118 B7R1.24 C1CNCCNC1 H67920 [0,0,0,0,0,1|0,0,0]=1 119 B7R1.24 C1CNCCOC1 X1345 [0,0,0,0,0,1|1,0,0]=2 120 B7R1.24 C1CNCCSC1 H6236 [0,0,0,0,0,1|1,0,0]=2 121 B4R0.2 BrCCCBr D69412 [1,0,1,0,0,0|2,0,0]=4 122 B4R0.2 C#CCCN B40327 [1,0,1,0,0,0|0,0,2]=4 123 B4R0.2 C#CCNC M60803 [1,0,1,0,0,0|0,0,2]=4 124 B4R0.2 C=CCCN B21913 [1,0,1,0,0,0|0,0,2]=4 125 B4R0.2 CCCNN P39906 [1,0,1,0,0,0|1,0,0]=3 126 B4R0.2 CNCC#N M39141 [1,0,1,0,0,0|0,0,2]=4 127 B4R0.2 CNCCBr B38473 [1,0,1,0,0,0|1,0,0]=3 128 B4R0.2 CNCCCl C39886 [1,0,1,0,0,0|1,0,0]=3 129 B4R0.2 COCCBr B39138 [1,0,1,0,0,0|2,0,0]=4 130 B4R0.2 COCCI K39881 [1,0,1,0,0,0|2,0,0]=4 131 B4R0.2 CSCCN M62136 [1,0,1,0,0,0|1,0,0]=3 132 B4R0.2 ClCCCI C1367 [1,0,1,0,0,0|2,0,0]=4 133 B4R0.2 ICCCI D39865 [1,0,1,0,0,0|2,0,0]=4 134 B4R0.2 N#CCCN C64951 [1,0,1,0,0,0|1,0,1]=4 135 B4R0.2 NCCCCl C37835 [1,0,1,0,0,0|1,0,0]=3 136 B4R0.2 NCCCO A69322 [1,0,1,0,0,0|1,0,0]=3 137 B4R0.2 NOCCO A39786 [1,0,1,0,0,0|2,0,0]=4 138 B4R0.2 OCCCBr B39137 [1,0,1,0,0,0|2,0,0]=4 139 B4R0.2 OCCCO P69117 [1,0,1,0,0,0|2,0,0]=4 140 B6R0.1 CCC[C@@H](Cl)CC C63946 [0,1,1,0,0,0|2,0,0]=4 141 B6R0.1 CCC[C@H](N)CO A40443 [0,1,1,0,0,0|2,0,0]=4 142 B6R0.1 CCC[C@H](N)CO A66421 [0,1,1,0,0,0|2,0,0]=4 143 B6R0.1 CCOC(=O)CN G69291 [0,1,1,0,0,0|1,0,1]=4 144 B6R0.1 CNC(=O)CCN A40306 [0,1,1,0,0,0|2,0,0]=4 145 B6R0.1 CNC[C@H](O)CO M37886 [0,1,1,0,0,0|2,0,0]=4 146 B6R0.1 COC(=O)CCN M67902 [0,1,1,0,0,0|2,0,0]=4 147 B6R0.4 CC(=O)NCCN A68626 [0,1,1,0,0,0|0,0,1]=3 148 B6R0.4 CC(=O)NCCO H68625 [0,1,1,0,0,0|1,0,1]=4 149 B6R0.4 CC(C)CCCO M67872 [0,1,1,0,0,0|2,0,0]=4 150 B6R0.4 CC(C)NCCCl C40431 [0,1,1,0,0,0|1,0,0]=3 151 B6R0.4 CC(C)OCCBr B69154 [0,1,1,0,0,0|2,0,0]=4 152 B6R0.4 CCCCC(=N)N P41343 [0,1,1,0,0,0|1,0,1]=4 153 B6R0.4 CN(C)CCCBr B40430 [0,1,1,0,0,0|2,0,0]=4 154 B6R0.4 CN(C)CCCCl C69241 [0,1,1,0,0,0|2,0,0]=4 155 B6R0.4 CNCCC(=O)O M40350 [0,1,1,0,0,0|2,0,0]=4 156 B6R0.4 CNCCN(C)C T41392 [0,1,1,0,0,0|0,0,0]=2 157 B6R0.6 BrCCNCCBr B28721 [0,1,1,0,0,0|1,0,0]=3 158 B6R0.6 CCCCCC[Mg+] H31703 [0,1,1,0,0,0|2,0,0]=4 159 B6R0.6 CCCCCNC M41618 [0,1,1,0,0,0|1,0,0]=3 160 B6R0.6 CCOCCC#N E41255 [0,1,1,0,0,0|1,0,1]=4 161 B6R0.6 CNCCCCBr B40429 [0,1,1,0,0,0|1,0,0]=3 162 B6R0.6 CNCCCCO M38840 [0,1,1,0,0,0|1,0,0]=3 163 B6R0.6 COCCCCBr B40422 [0,1,1,0,0,0|2,0,0]=4 164 B6R0.6 ClCCCCCBr B39164 [0,1,1,0,0,0|2,0,0]=4 165 B6R0.6 ClCCNCCCl B69332 [0,1,1,0,0,0|1,0,0]=3 166 B6R0.6 FCCCCCBr B37978 [0,1,1,0,0,0|2,0,0]=4 167 B6R0.6 ICCCCCI D24633 [0,1,1,0,0,0|2,0,0]=4 168 B6R0.6 N#CCCCCN A6983 [0,1,1,0,0,0|1,0,1]=4 169 B6R0.6 NCCNCCO A68374 [0,1,1,0,0,0|0,0,0]=2 170 B6R0.6 NCCOCCN X39968 [0,1,1,0,0,0|1,0,0]=3 171 B6R0.6 NCCOCCN X40357 [0,1,1,0,0,0|1,0,0]=3 172 B6R0.6 OCCOCCCl C60784 [0,1,1,0,0,0|2,0,0]=4 173 B6R0.6 OCCOCCO D43939 [0,1,1,0,0,0|2,0,0]=4 174 B6R1.2 Br[C@H]1CCNC1 B40246 [0,1,0,0,1,0|0,0,0]=2 175 B6R1.2 Br[C@H]1CCOC1 B0393 [0,1,0,0,1,0|1,0,0]=3 176 B6R1.2 CC1=NCCC1 M41239 [0,1,0,0,1,0|0,0,2]=4 177 B6R1.2 C[C@@H]1CCCN1 M23610 [0,1,0,0,1,0|0,0,0]=2 178 B6R1.2 C[C@@H]1CCNC1 M22540 [0,1,0,0,1,0|0,0,0]=2 179 B6R1.2 C[C@H]1CCCN1 M21836 [0,1,0,0,1,0|0,0,0]=2 180 B6R1.2 C[C@H]1CCCN1 M24199 [0,1,0,0,1,0|0,0,0]=2 181 B6R1.2 C[C@H]1CCCN1 M24435 [0,1,0,0,1,0|0,0,0]=2 182 B6R1.2 C[C@H]1CCNC1 M22012 [0,1,0,0,1,0|0,0,0]=2 183 B6R1.2 C[C@H]1CCNC1 M69520 [0,1,0,0,1,0|0,0,0]=2 184 B6R1.2 F[C@@H]1CCNC1 F7494 [0,1,0,0,1,0|0,0,0]=2 185 B6R1.2 F[C@H]1CCNC1 F0136 [0,1,0,0,1,0|0,0,0]=2 186 B6R1.2 F[C@H]1CCNC1 F7493 [0,1,0,0,1,0|0,0,0]=2 187 B6R1.2 IC1CCCC1 I20419 [0,1,0,0,1,0|1,0,0]=3 188 B6R1.2 I[C@@H]1CCOC1 I1538 [0,1,0,0,1,0|1,0,0]=3 189 B6R1.2 I[C@H]1CCOC1 I0392 [0,1,0,0,1,0|1,0,0]=3 190 B6R1.2 I[C@H]1CCOC1 I1672 [0,1,0,0,1,0|1,0,0]=3 191 B6R1.2 NC1=NCCC1 D38561 [0,1,0,0,1,0|0,0,2]=4 192 B6R1.2 NC1CC=CC1 A13279 [0,1,0,0,1,0|1,0,1]=4 193 B6R1.2 N[C@@H]1CCNC1 P16877 [0,1,0,0,1,0|0,0,0]=2 194 B6R1.2 N[C@@H]1CCNC1 P16878 [0,1,0,0,1,0|0,0,0]=2 195 B6R1.2 N[C@@H]1CCOC1 A7431 [0,1,0,0,1,0|1,0,0]=3 196 B6R1.2 N[C@@H]1CCOC1 X16388 [0,1,0,0,1,0|1,0,0]=3 197 B6R1.2 N[C@H]1CCNC1 P16879 [0,1,0,0,1,0|0,0,0]=2 198 B6R1.2 N[C@H]1CCNC1 P68854 [0,1,0,0,1,0|0,0,0]=2 199 B6R1.2 N[C@H]1CCOC1 A0023 [0,1,0,0,1,0|1,0,0]=3 200 B6R1.2 N[C@H]1CCOC1 A7432 [0,1,0,0,1,0|1,0,0]=3 201 B6R1.2 N[C@H]1CCOC1 T40344 [0,1,0,0,1,0|1,0,0]=3 202 B6R1.2 N[C@H]1CCOC1 X22238 [0,1,0,0,1,0|1,0,0]=3 203 B6R1.2 O=C1CCNC1 P0198 [0,1,0,0,1,0|0,0,1]=3 204 B6R1.2 O=C1CCNN1 P39917 [0,1,0,0,1,0|1,0,1]=4 205 B6R1.2 O=C1CCOC1 X0391 [0,1,0,0,1,0|1,0,1]=4 206 B6R1.2 O=C1CCSC1 D10906 [0,1,0,0,1,0|1,0,1]=4 207 B6R1.2 O=C1NCCN1 K62398 [0,1,0,0,1,0|0,0,1]=3 208 B6R1.2 O=C1NCCS1 T39859 [0,1,0,0,1,0|1,0,1]=4 209 B6R1.2 OC1CC=CC1 C67522 [0,1,0,0,1,0|1,0,1]=4 210 B6R1.2 O[C@@H]1CCNC1 H7458 [0,1,0,0,1,0|0,0,0]=2 211 B6R1.2 O[C@@H]1CCNC1 P4643 [0,1,0,0,1,0|0,0,0]=2 212 B6R1.2 O[C@@H]1CCOC1 H7563 [0,1,0,0,1,0|1,0,0]=3 213 B6R1.2 O[C@H]1CCNC1 H0275 [0,1,0,0,1,0|0,0,0]=2 214 B6R1.2 O[C@H]1CCNC1 H7496 [0,1,0,0,1,0|0,0,0]=2 215 B6R1.2 O[C@H]1CCNC1 P0679 [0,1,0,0,1,0|0,0,0]=2 216 B6R1.2 O[C@H]1CCOC1 H0466 [0,1,0,0,1,0|1,0,0]=3 217 B6R1.2 O[C@H]1CCOC1 H10322 [0,1,0,0,1,0|1,0,0]=3 218 B6R1.2 O[C@H]1CNOC1 K39924 [0,1,0,0,1,0|1,0,0]=3 219 B6R1.2 [Mg+][C@H]1CCOC1 T2962 [0,1,0,0,1,0|1,0,0]=3 220 B8R1.22 CN1CCCNCC1 M1344 [0,1,0,0,0,1|0,0,0]=2 221 B8R1.22 C[C@H]1CCNCCN1 M13937 [0,1,0,0,0,1|0,0,0]=2 222 B8R1.22 F[C@H]1CCCNCC1 F12235 [0,1,0,0,0,1|1,0,0]=3 223 B8R1.22 N[C@@H]1CCCCNC1 A14699 [0,1,0,0,0,1|1,0,0]=3 224 B8R1.22 N[C@H]1CCCCNC1 A41604 [0,1,0,0,0,1|1,0,0]=3 225 B8R1.22 O=C1CCCNCC1 H12307 [0,1,0,0,0,1|1,0,0]=3 226 B8R1.22 O=C1CCOCCN1 X16165 [0,1,0,0,0,1|1,0,0]=3 227 B8R1.22 O=C1CCSCCN1 T6235 [0,1,0,0,0,1|1,0,0]=3 228 B8R1.22 O=C1CNCCCN1 D38834 [0,1,0,0,0,1|0,0,1]=3 229 B8R1.22 O[C@H]1CCCNCC1 H12234 [0,1,0,0,0,1|1,0,0]=3 230 B8R1.2 BrCC1CCCCC1 B43832 [0,2,0,0,0,0|2,0,0]=4 231 B8R1.2 BrCC1CCNCC1 B1292 [0,2,0,0,0,0|1,0,0]=3 232 B8R1.2 BrCC1CCOCC1 B3933 [0,2,0,0,0,0|2,0,0]=4 233 B8R1.2 BrC[C@H]1CCCOC1 B8026 [0,2,0,0,0,0|2,0,0]=4 234 B8R1.2 C#CC1CCNCC1 E24220 [0,2,0,0,0,0|1,0,0]=3 235 B8R1.2 C#CC1CCOCC1 E0568 [0,2,0,0,0,0|2,0,0]=4 236 B8R1.2 C#CC1CCSCC1 E13094 [0,2,0,0,0,0|2,0,0]=4 237 B8R1.2 C#C[C@H]1CCCNC1 E14072 [0,2,0,0,0,0|1,0,0]=3 238 B8R1.2 C#C[C@H]1CCCOC1 E14193 [0,2,0,0,0,0|2,0,0]=4 239 B8R1.2 CCC1COCCN1 O5554 [0,2,0,0,0,0|1,0,0]=3 240 B8R1.2 CCN1CCNCC1 E13368 [0,2,0,0,0,0|0,0,0]=2 241 B8R1.2 CC[C@@H]1CNCCN1 E67103 [0,2,0,0,0,0|0,0,0]=2 242 B8R1.2 CC[C@H]1CCCCN1 E46502 [0,2,0,0,0,0|1,0,0]=3 243 B8R1.2 CC[C@H]1CNCCN1 E13389 [0,2,0,0,0,0|0,0,0]=2 244 B8R1.2 CC[C@H]1CNCCN1 E13401 [0,2,0,0,0,0|0,0,0]=2 245 B8R1.2 CC[C@H]1CNCCN1 E65175 [0,2,0,0,0,0|0,0,0]=2 246 B8R1.2 CC[C@H]1COCCN1 E22377 [0,2,0,0,0,0|1,0,0]=3 247 B8R1.2 CNC1CCNCC1 M13774 [0,2,0,0,0,0|1,0,0]=3 248 B8R1.2 CNC1CCOCC1 M10218 [0,2,0,0,0,0|2,0,0]=4 249 B8R1.2 CN[C@H]1CCCNC1 M43509 [0,2,0,0,0,0|1,0,0]=3 250 B8R1.2 CN[C@H]1CCCNC1 M43560 [0,2,0,0,0,0|1,0,0]=3 251 B8R1.2 COC1CCNCC1 M0482 [0,2,0,0,0,0|1,0,0]=3 252 B8R1.2 COC1CCNCC1 M1164 [0,2,0,0,0,0|1,0,0]=3 253 B8R1.2 CO[C@@H]1CCCNC1 M10269 [0,2,0,0,0,0|1,0,0]=3 254 B8R1.2 CO[C@@H]1CCCNC1 M10270 [0,2,0,0,0,0|1,0,0]=3 255 B8R1.2 CO[C@H]1CCCNC1 M10271 [0,2,0,0,0,0|1,0,0]=3 256 B8R1.2 CO[C@H]1CCCNC1 M1167 [0,2,0,0,0,0|1,0,0]=3 257 B8R1.2 CO[C@H]1CCCNC1 M7502 [0,2,0,0,0,0|1,0,0]=3 258 B8R1.2 ClC[C@H]1CCCCN1 C41543 [0,2,0,0,0,0|1,0,0]=3 259 B8R1.2 FCC1CCNCC1 F1237 [0,2,0,0,0,0|1,0,0]=3 260 B8R1.2 FCC1CCNCC1 F14211 [0,2,0,0,0,0|1,0,0]=3 261 B8R1.2 FC[C@H]1CCCCN1 F1342 [0,2,0,0,0,0|1,0,0]=3 262 B8R1.2 ICC1CCCCC1 I38363 [0,2,0,0,0,0|2,0,0]=4 263 B8R1.2 ICC1CCOCC1 I10217 [0,2,0,0,0,0|2,0,0]=4 264 B8R1.2 I[Zn]C1CCOCC1 T31854 [0,2,0,0,0,0|2,0,0]=4 265 B8R1.2 N#CC1CCCCC1 C69224 [0,2,0,0,0,0|2,0,0]=4 266 B8R1.2 N#CC1CCCCN1 P20239 [0,2,0,0,0,0|1,0,0]=3 267 B8R1.2 N#CC1CCNCC1 C10273 [0,2,0,0,0,0|1,0,0]=3 268 B8R1.2 N#CC1CCOCC1 C1508 [0,2,0,0,0,0|2,0,0]=4 269 B8R1.2 N#CC1CCSCC1 T13089 [0,2,0,0,0,0|2,0,0]=4 270 B8R1.2 N#C[C@@H]1CCCCN1 C13305 [0,2,0,0,0,0|1,0,0]=3 271 B8R1.2 N#C[C@@H]1CCCCN1 P43432 [0,2,0,0,0,0|1,0,0]=3 272 B8R1.2 N#C[C@@H]1CCCNC1 C15044 [0,2,0,0,0,0|1,0,0]=3 273 B8R1.2 N#C[C@@H]1CNCCN1 P41397 [0,2,0,0,0,0|0,0,0]=2 274 B8R1.2 N#C[C@@H]1CNCCO1 M41361 [0,2,0,0,0,0|1,0,0]=3 275 B8R1.2 N#C[C@@H]1CNCCO1 M41363 [0,2,0,0,0,0|1,0,0]=3 276 B8R1.2 N#C[C@@H]1COCCN1 M41194 [0,2,0,0,0,0|1,0,0]=3 277 B8R1.2 N#C[C@H]1CCCNC1 C15045 [0,2,0,0,0,0|1,0,0]=3 278 B8R1.2 N#C[C@H]1CCCNC1 C1622 [0,2,0,0,0,0|1,0,0]=3 279 B8R1.2 N#C[C@H]1CNCCN1 P64311 [0,2,0,0,0,0|0,0,0]=2 280 B8R1.2 NCC1CCCCC1 C43900 [0,2,0,0,0,0|2,0,0]=4 281 B8R1.2 NCC1CCOCC1 T1166 [0,2,0,0,0,0|2,0,0]=4 282 B8R1.2 NCC1CCSCC1 T13090 [0,2,0,0,0,0|2,0,0]=4 283 B8R1.2 NC[C@@H]1CCCOC1 T14517 [0,2,0,0,0,0|2,0,0]=4 284 B8R1.2 NC[C@@H]1COCCO1 D11964 [0,2,0,0,0,0|2,0,0]=4 285 B8R1.2 NC[C@H]1CCCCN1 P68366 [0,2,0,0,0,0|1,0,0]=3 286 B8R1.2 NC[C@H]1CCCNC1 P60926 [0,2,0,0,0,0|1,0,0]=3 287 B8R1.2 NC[C@H]1CCCOC1 A14515 [0,2,0,0,0,0|2,0,0]=4 288 B8R1.2 NC[C@H]1CCCOC1 T14516 [0,2,0,0,0,0|2,0,0]=4 289 B8R1.2 NC[C@H]1CNCCO1 M61772 [0,2,0,0,0,0|1,0,0]=3 290 B8R1.2 NC[C@H]1COCCO1 D11965 [0,2,0,0,0,0|2,0,0]=4 291 B8R1.2 NC[C@H]1COCCO1 D15491 [0,2,0,0,0,0|2,0,0]=4 292 B8R1.2 NNC1CCCCC1 C43508 [0,2,0,0,0,0|2,0,0]=4 293 B8R1.2 NNC1CCOCC1 T12041 [0,2,0,0,0,0|2,0,0]=4 294 B8R1.2 NNC1CCOCC1 T64234 [0,2,0,0,0,0|2,0,0]=4 295 B8R1.2 NO[C@@H]1CCCCO1 T24832 [0,2,0,0,0,0|2,0,0]=4 296 B8R1.2 O=CC1CCOCC1 T0115 [0,2,0,0,0,0|2,0,0]=4 297 B8R1.2 O=CC1CCSCC1 T31827 [0,2,0,0,0,0|2,0,0]=4 298 B8R1.2 O=CN1CCCCC1 P68910 [0,2,0,0,0,0|1,0,0]=3 299 B8R1.2 O=CN1CCOCC1 M68909 [0,2,0,0,0,0|1,0,0]=3 300 B8R1.2 OCC1CCNCC1 P0766 [0,2,0,0,0,0|1,0,0]=3 301 B8R1.2 OCC1CCOCC1 H0390 [0,2,0,0,0,0|2,0,0]=4 302 B8R1.2 OCC1CCSCC1 T13093 [0,2,0,0,0,0|2,0,0]=4 303 B8R1.2 OC[C@@H]1CCCCN1 P7111 [0,2,0,0,0,0|1,0,0]=3 304 B8R1.2 OC[C@@H]1CCCCO1 X24024 [0,2,0,0,0,0|2,0,0]=4 305 B8R1.2 OC[C@@H]1CCCNC1 P41579 [0,2,0,0,0,0|1,0,0]=3 306 B8R1.2 OC[C@@H]1CCCNC1 P60999 [0,2,0,0,0,0|1,0,0]=3 307 B8R1.2 OC[C@@H]1CCCOC1 X59846 [0,2,0,0,0,0|2,0,0]=4 308 B8R1.2 OC[C@@H]1CNCCO1 M18586 [0,2,0,0,0,0|1,0,0]=3 309 B8R1.2 OC[C@@H]1COCCN1 H40409 [0,2,0,0,0,0|1,0,0]=3 310 B8R1.2 OC[C@@H]1COCCN1 M41331 [0,2,0,0,0,0|1,0,0]=3 311 B8R1.2 OC[C@@H]1COCCO1 D23560 [0,2,0,0,0,0|2,0,0]=4 312 B8R1.2 OC[C@H]1CCCCN1 H41578 [0,2,0,0,0,0|1,0,0]=3 313 B8R1.2 OC[C@H]1CCCCN1 P7110 [0,2,0,0,0,0|1,0,0]=3 314 B8R1.2 OC[C@H]1CCCNC1 P0762 [0,2,0,0,0,0|1,0,0]=3 315 B8R1.2 OC[C@H]1CCCNC1 P41576 [0,2,0,0,0,0|1,0,0]=3 316 B8R1.2 OC[C@H]1CCCOC1 H11515 [0,2,0,0,0,0|2,0,0]=4 317 B8R1.2 OC[C@H]1CCCOC1 X59849 [0,2,0,0,0,0|2,0,0]=4 318 B8R1.2 OC[C@H]1CNCCN1 P41389 [0,2,0,0,0,0|0,0,0]=2 319 B8R1.2 OC[C@H]1CNCCN1 P41390 [0,2,0,0,0,0|0,0,0]=2 320 B8R1.2 OC[C@H]1CNCCO1 M19813 [0,2,0,0,0,0|1,0,0]=3 321 B8R1.2 OC[C@H]1CNCCO1 M40407 [0,2,0,0,0,0|1,0,0]=3 322 B8R1.2 OC[C@H]1CNCCO1 M41329 [0,2,0,0,0,0|1,0,0]=3 323 B8R1.2 OC[C@H]1COCCN1 M41332 [0,2,0,0,0,0|1,0,0]=3 324 B8R1.2 OC[C@H]1COCCN1 M61069 [0,2,0,0,0,0|1,0,0]=3 325 B8R1.2 OC[C@H]1COCCN1 M61885 [0,2,0,0,0,0|1,0,0]=3 326 B8R1.2 OC[C@H]1COCCO1 D23561 [0,2,0,0,0,0|2,0,0]=4 327 B8R1.2 OC[C@H]1COCCO1 D40389 [0,2,0,0,0,0|2,0,0]=4 328 B8R1.2 ON=C1CCOCC1 T0658 [0,2,0,0,0,0|2,0,0]=4 329 B8R1.2 ON=C1CCSCC1 T6161 [0,2,0,0,0,0|2,0,0]=4 330 B8R1.2 ONC1CCCCC1 C43480 [0,2,0,0,0,0|2,0,0]=4 331 B8R1.2 [Mg+]CC1CCCCC1 C31706 [0,2,0,0,0,0|2,0,0]=4 332 B8R1.3 CC1CCC(=O)CC1 M39288 [0,2,0,0,0,0|2,0,0]=4 333 B8R1.3 CC1CCC(O)CC1 M61965 [0,2,0,0,0,0|2,0,0]=4 334 B8R1.3 CN1CCC(=O)CC1 M28326 [0,2,0,0,0,0|1,0,0]=3 335 B8R1.3 CN1CCC(Cl)CC1 C68578 [0,2,0,0,0,0|1,0,0]=3 336 B8R1.3 CN1CCC(N)CC1 A7503 [0,2,0,0,0,0|1,0,0]=3 337 B8R1.3 CN1CCC(O)CC1 H12302 [0,2,0,0,0,0|1,0,0]=3 338 B8R1.3 CN1CCC([Mg+])CC1 M8352 [0,2,0,0,0,0|1,0,0]=3 339 B8R1.3 CN1CCC([Zn+])CC1 M7236 [0,2,0,0,0,0|1,0,0]=3 340 B8R1.3 CN1CCN(N)CC1 M62380 [0,2,0,0,0,0|0,0,0]=2 341 B8R1.3 C[C@@H]1CC[C@H](O)CN1 M59818 [0,2,0,0,0,0|1,0,0]=3 342 B8R1.3 C[C@@H]1CNC(=O)CN1 M29571 [0,2,0,0,0,0|0,0,1]=3 343 B8R1.3 C[C@@H]1CO[C@H](C)CN1 D43484 [0,2,0,0,0,0|1,0,0]=3 344 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [0,2,0,0,0,0|1,0,1]=4 345 B8R1.3 C[C@H]1CC[C@@H](N)CC1 M46505 [0,2,0,0,0,0|2,0,0]=4 346 B8R1.3 C[C@H]1CC[C@H](N)CC1 M46506 [0,2,0,0,0,0|2,0,0]=4 347 B8R1.3 C[C@H]1CC[C@H](N)CC1 M68368 [0,2,0,0,0,0|2,0,0]=4 348 B8R1.3 C[C@H]1CNC(=O)CN1 M17917 [0,2,0,0,0,0|0,0,1]=3 349 B8R1.3 C[C@H]1CN[C@@H](C)CN1 D11163 [0,2,0,0,0,0|0,0,0]=2 350 B8R1.3 C[C@H]1CN[C@H](C)CN1 D41608 [0,2,0,0,0,0|0,0,0]=2 351 B8R1.3 C[C@H]1CN[C@H](C)CO1 D41580 [0,2,0,0,0,0|1,0,0]=3 352 B8R1.3 C[C@H]1CO[C@@H](C)CN1 D43485 [0,2,0,0,0,0|1,0,0]=3 353 B8R1.3 NC1CCC(=O)CC1 A38581 [0,2,0,0,0,0|2,0,0]=4 354 B8R1.3 NC1CCC(Br)CC1 B41541 [0,2,0,0,0,0|2,0,0]=4 355 B8R1.3 NC1CCC(O)CC1 A43478 [0,2,0,0,0,0|2,0,0]=4 356 B8R1.3 NN1CCC(O)CC1 A61614 [0,2,0,0,0,0|1,0,0]=3 357 B8R1.3 N[C@H]1CCC(=O)NC1 A0587 [0,2,0,0,0,0|1,0,1]=4 358 B8R1.3 N[C@H]1CC[C@@H](O)CC1 A23551 [0,2,0,0,0,0|2,0,0]=4 359 B8R1.3 N[C@H]1CC[C@@H](O)CC1 A29883 [0,2,0,0,0,0|2,0,0]=4 360 B8R1.3 N[C@H]1CC[C@H](N)CC1 C67917 [0,2,0,0,0,0|2,0,0]=4 361 B8R1.3 N[C@H]1CC[C@H](O)CC1 A4686 [0,2,0,0,0,0|2,0,0]=4 362 B8R1.3 O=C1CCC(O)CC1 H18838 [0,2,0,0,0,0|2,0,0]=4 363 B8R1.3 O=C1CC[C@H](O)CN1 H22093 [0,2,0,0,0,0|1,0,1]=4 364 B8R1.3 O=C1CNC(=O)CN1 P61806 [0,2,0,0,0,0|0,0,2]=4 365 B8R1.3 OC1COC(O)CO1 D2034 [0,2,0,0,0,0|2,0,0]=4 366 B8R1.3 OC1CSC(O)CS1 D69077 [0,2,0,0,0,0|2,0,0]=4 367 B8R1.3 O[C@H]1CC[C@@H](O)CC1 C11596 [0,2,0,0,0,0|2,0,0]=4 368 B8R1.3 O[C@H]1CC[C@H](O)CC1 C24967 [0,2,0,0,0,0|2,0,0]=4 369 B8R1.4 CC1CC(N)CCO1 M26284 [0,2,0,0,0,0|2,0,0]=4 370 B8R1.4 CC1CC(O)CCN1 M11589 [0,2,0,0,0,0|1,0,0]=3 371 B8R1.4 CC1CC(O)CCO1 M14345 [0,2,0,0,0,0|2,0,0]=4 372 B8R1.4 CC1CNCC(C)C1 D39299 [0,2,0,0,0,0|1,0,0]=3 373 B8R1.4 CC1CNCC(C)N1 D4711 [0,2,0,0,0,0|0,0,0]=2 374 B8R1.4 CN1CCCC(=O)C1 M13651 [0,2,0,0,0,0|1,0,1]=4 375 B8R1.4 CN1CCC[C@@H](N)C1 A1653 [0,2,0,0,0,0|1,0,0]=3 376 B8R1.4 CN1CCC[C@@H](N)C1 M16827 [0,2,0,0,0,0|1,0,0]=3 377 B8R1.4 CN1CCC[C@@H](O)C1 H1521 [0,2,0,0,0,0|1,0,0]=3 378 B8R1.4 CN1CCC[C@H](N)C1 A0282 [0,2,0,0,0,0|1,0,0]=3 379 B8R1.4 CN1CCC[C@H](N)C1 A1654 [0,2,0,0,0,0|1,0,0]=3 380 B8R1.4 CN1CCC[C@H](N)C1 A7504 [0,2,0,0,0,0|1,0,0]=3 381 B8R1.4 CN1CCC[C@H](O)C1 H0286 [0,2,0,0,0,0|1,0,0]=3 382 B8R1.4 CN1CCC[C@H](O)C1 H1522 [0,2,0,0,0,0|1,0,0]=3 383 B8R1.4 CN1CCNC(=O)C1 M6975 [0,2,0,0,0,0|0,0,1]=3 384 B8R1.4 CN1CCOC(=O)C1 M41260 [0,2,0,0,0,0|1,0,1]=4 385 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,2,0,0,0,0|1,0,0]=3 386 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,2,0,0,0,0|2,0,0]=4 387 B8R1.4 C[C@@H]1CN(C)CCN1 D27738 [0,2,0,0,0,0|0,0,0]=2 388 B8R1.4 C[C@@H]1CN(C)CCN1 D62333 [0,2,0,0,0,0|0,0,0]=2 389 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [0,2,0,0,0,0|0,0,1]=3 390 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 D13904 [0,2,0,0,0,0|0,0,0]=2 391 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 D20228 [0,2,0,0,0,0|0,0,0]=2 392 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 D43561 [0,2,0,0,0,0|0,0,0]=2 393 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [0,2,0,0,0,0|1,0,1]=4 394 B8R1.4 C[C@@H]1COC[C@@H](C)N1 D27896 [0,2,0,0,0,0|1,0,0]=3 395 B8R1.4 C[C@@H]1C[C@H](O)CCN1 M31245 [0,2,0,0,0,0|1,0,0]=3 396 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,2,0,0,0,0|1,0,0]=3 397 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,2,0,0,0,0|1,0,0]=3 398 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,2,0,0,0,0|1,0,0]=3 399 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,2,0,0,0,0|2,0,0]=4 400 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,2,0,0,0,0|2,0,0]=4 401 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,2,0,0,0,0|1,0,1]=4 402 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [0,2,0,0,0,0|1,0,1]=4 403 B8R1.4 C[C@H]1CN(C)CCN1 D41607 [0,2,0,0,0,0|0,0,0]=2 404 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [0,2,0,0,0,0|0,0,1]=3 405 B8R1.4 C[C@H]1CNC[C@@H](C)N1 D10658 [0,2,0,0,0,0|0,0,0]=2 406 B8R1.4 C[C@H]1CNC[C@@H](C)O1 D14096 [0,2,0,0,0,0|1,0,0]=3 407 B8R1.4 C[C@H]1CNC[C@H](C)N1 D11159 [0,2,0,0,0,0|0,0,0]=2 408 B8R1.4 C[C@H]1CNC[C@H](C)N1 D20216 [0,2,0,0,0,0|0,0,0]=2 409 B8R1.4 C[C@H]1CNC[C@H](C)O1 D22785 [0,2,0,0,0,0|1,0,0]=3 410 B8R1.4 C[C@H]1CNC[C@H](C)O1 D7921 [0,2,0,0,0,0|1,0,0]=3 411 B8R1.4 C[C@H]1COC[C@@H](C)N1 D11279 [0,2,0,0,0,0|1,0,0]=3 412 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M11590 [0,2,0,0,0,0|1,0,0]=3 413 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M8079 [0,2,0,0,0,0|1,0,0]=3 414 B8R1.4 NC1CCCC(O)C1 A24893 [0,2,0,0,0,0|2,0,0]=4 415 B8R1.4 NC1CCCC(O)C1 A43477 [0,2,0,0,0,0|2,0,0]=4 416 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 A17953 [0,2,0,0,0,0|2,0,0]=4 417 B8R1.4 N[C@@H]1CCC[C@H](O)C1 A24958 [0,2,0,0,0,0|2,0,0]=4 418 B8R1.4 N[C@@H]1CCC[C@H](O)C1 A32382 [0,2,0,0,0,0|2,0,0]=4 419 B8R1.4 N[C@H]1CCC[C@@H](N)C1 C23932 [0,2,0,0,0,0|2,0,0]=4 420 B8R1.4 N[C@H]1CCC[C@@H](O)C1 A31661 [0,2,0,0,0,0|2,0,0]=4 421 B8R1.4 N[C@H]1CCC[C@H](N)C1 C29966 [0,2,0,0,0,0|2,0,0]=4 422 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [0,2,0,0,0,0|1,0,1]=4 423 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [0,2,0,0,0,0|1,0,1]=4 424 B8R1.4 O=C1CCNC(=O)C1 P7969 [0,2,0,0,0,0|1,0,1]=4 425 B8R1.4 O=C1CNCC(=O)N1 P10757 [0,2,0,0,0,0|0,0,2]=4 426 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [0,2,0,0,0,0|1,0,1]=4 427 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [0,2,0,0,0,0|1,0,1]=4 428 B8R1.5 CC1CCNCC1O H11697 [0,2,0,0,0,0|1,0,0]=3 429 B8R1.5 CC1CCNCC1O H11698 [0,2,0,0,0,0|1,0,0]=3 430 B8R1.5 CC1CNCCC1O M17031 [0,2,0,0,0,0|1,0,0]=3 431 B8R1.5 CC1CNCCC1O M41575 [0,2,0,0,0,0|1,0,0]=3 432 B8R1.5 CN1CCNCC1=O M12652 [0,2,0,0,0,0|0,0,1]=3 433 B8R1.5 CN1CCNCC1=O M4395 [0,2,0,0,0,0|0,0,1]=3 434 B8R1.5 C[C@@H]1CCCC[C@@H]1N M46507 [0,2,0,0,0,0|2,0,0]=4 435 B8R1.5 C[C@@H]1CCNC[C@@H]1O H14889 [0,2,0,0,0,0|1,0,0]=3 436 B8R1.5 C[C@@H]1CCNC[C@H]1O H11699 [0,2,0,0,0,0|1,0,0]=3 437 B8R1.5 C[C@@H]1CCNC[C@H]1O H14888 [0,2,0,0,0,0|1,0,0]=3 438 B8R1.5 C[C@@H]1CNCCN1C D10718 [0,2,0,0,0,0|0,0,0]=2 439 B8R1.5 C[C@@H]1CNCC[C@H]1O M30026 [0,2,0,0,0,0|1,0,0]=3 440 B8R1.5 C[C@@H]1COCC[C@H]1N M14514 [0,2,0,0,0,0|2,0,0]=4 441 B8R1.5 C[C@@H]1COCC[C@H]1N M27647 [0,2,0,0,0,0|2,0,0]=4 442 B8R1.5 C[C@@H]1COCC[C@H]1N M59772 [0,2,0,0,0,0|2,0,0]=4 443 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,2,0,0,0,0|2,0,0]=4 444 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,2,0,0,0,0|1,0,1]=4 445 B8R1.5 C[C@H]1CCNCC1=O M14887 [0,2,0,0,0,0|1,0,1]=4 446 B8R1.5 C[C@H]1CCNC[C@H]1O H11700 [0,2,0,0,0,0|1,0,0]=3 447 B8R1.5 C[C@H]1CNCCC1=O M14880 [0,2,0,0,0,0|1,0,0]=3 448 B8R1.5 C[C@H]1CNCCC1=O M41497 [0,2,0,0,0,0|1,0,0]=3 449 B8R1.5 C[C@H]1CNCCN1C D11166 [0,2,0,0,0,0|0,0,0]=2 450 B8R1.5 C[C@H]1CNCCN1C D23865 [0,2,0,0,0,0|0,0,0]=2 451 B8R1.5 C[C@H]1CNCCN1C D41606 [0,2,0,0,0,0|0,0,0]=2 452 B8R1.5 C[C@H]1COCCC1=O M11408 [0,2,0,0,0,0|2,0,0]=4 453 B8R1.5 C[C@H]1COCC[C@@H]1N M59773 [0,2,0,0,0,0|2,0,0]=4 454 B8R1.5 C[C@H]1COCC[C@H]1N M11514 [0,2,0,0,0,0|2,0,0]=4 455 B8R1.5 F[C@@H]1CCNC[C@H]1F D15106 [0,2,0,0,0,0|1,0,0]=3 456 B8R1.5 F[C@H]1CCNC[C@H]1F D15107 [0,2,0,0,0,0|1,0,0]=3 457 B8R1.5 NC1COCCC1O A7869 [0,2,0,0,0,0|2,0,0]=4 458 B8R1.5 NN1CCCCC1=O A41312 [0,2,0,0,0,0|1,0,1]=4 459 B8R1.5 N[C@@H]1CCCC[C@H]1N C22236 [0,2,0,0,0,0|2,0,0]=4 460 B8R1.5 N[C@@H]1CCCC[C@H]1N C60843 [0,2,0,0,0,0|2,0,0]=4 461 B8R1.5 N[C@@H]1CCCC[C@H]1O A41577 [0,2,0,0,0,0|2,0,0]=4 462 B8R1.5 N[C@@H]1CCCC[C@H]1O A43481 [0,2,0,0,0,0|2,0,0]=4 463 B8R1.5 N[C@@H]1CCCNC1=O A41314 [0,2,0,0,0,0|1,0,1]=4 464 B8R1.5 N[C@@H]1CCOC[C@@H]1F F20714 [0,2,0,0,0,0|2,0,0]=4 465 B8R1.5 N[C@@H]1CCOC[C@@H]1F F60225 [0,2,0,0,0,0|2,0,0]=4 466 B8R1.5 N[C@@H]1CCOC[C@@H]1O A11506 [0,2,0,0,0,0|2,0,0]=4 467 B8R1.5 N[C@@H]1CCOC[C@@H]1O A20209 [0,2,0,0,0,0|2,0,0]=4 468 B8R1.5 N[C@@H]1CCOC[C@H]1F F19599 [0,2,0,0,0,0|2,0,0]=4 469 B8R1.5 N[C@@H]1CCOC[C@H]1O A11507 [0,2,0,0,0,0|2,0,0]=4 470 B8R1.5 N[C@@H]1CCOC[C@H]1O A20694 [0,2,0,0,0,0|2,0,0]=4 471 B8R1.5 N[C@@H]1COCC[C@@H]1O A20910 [0,2,0,0,0,0|2,0,0]=4 472 B8R1.5 N[C@@H]1COCC[C@@H]1O A21545 [0,2,0,0,0,0|2,0,0]=4 473 B8R1.5 N[C@@H]1COCC[C@H]1O A12092 [0,2,0,0,0,0|2,0,0]=4 474 B8R1.5 N[C@H]1CCCCC1=O A63504 [0,2,0,0,0,0|2,0,0]=4 475 B8R1.5 N[C@H]1CCCC[C@@H]1N C65455 [0,2,0,0,0,0|2,0,0]=4 476 B8R1.5 N[C@H]1CCCC[C@@H]1O A43482 [0,2,0,0,0,0|2,0,0]=4 477 B8R1.5 N[C@H]1CCCC[C@@H]1O A64879 [0,2,0,0,0,0|2,0,0]=4 478 B8R1.5 N[C@H]1CCCC[C@H]1N C67193 [0,2,0,0,0,0|2,0,0]=4 479 B8R1.5 N[C@H]1CCCC[C@H]1O A38152 [0,2,0,0,0,0|2,0,0]=4 480 B8R1.5 N[C@H]1CCCC[C@H]1O A43479 [0,2,0,0,0,0|2,0,0]=4 481 B8R1.5 N[C@H]1CCCNC1=O A38933 [0,2,0,0,0,0|1,0,1]=4 482 B8R1.5 N[C@H]1CCCNC1=O A41313 [0,2,0,0,0,0|1,0,1]=4 483 B8R1.5 N[C@H]1CCCNC1=O A64847 [0,2,0,0,0,0|1,0,1]=4 484 B8R1.5 N[C@H]1CCOC[C@@H]1F F27830 [0,2,0,0,0,0|2,0,0]=4 485 B8R1.5 N[C@H]1CCOC[C@@H]1F P20737 [0,2,0,0,0,0|2,0,0]=4 486 B8R1.5 N[C@H]1CCOC[C@@H]1O A16546 [0,2,0,0,0,0|2,0,0]=4 487 B8R1.5 N[C@H]1CCOC[C@H]1O A10117 [0,2,0,0,0,0|2,0,0]=4 488 B8R1.5 N[C@H]1CCOC[C@H]1O A27832 [0,2,0,0,0,0|2,0,0]=4 489 B8R1.5 N[C@H]1COCC[C@@H]1O A20755 [0,2,0,0,0,0|2,0,0]=4 490 B8R1.5 N[C@H]1COCC[C@H]1O A59650 [0,2,0,0,0,0|2,0,0]=4 491 B8R1.5 O=C1CCNC[C@@H]1F F11694 [0,2,0,0,0,0|1,0,0]=3 492 B8R1.5 O=C1CCNC[C@@H]1F F13759 [0,2,0,0,0,0|1,0,0]=3 493 B8R1.5 O=C1CCOC[C@@H]1Br B7711 [0,2,0,0,0,0|2,0,0]=4 494 B8R1.5 O=C1CCOC[C@@H]1F F5739 [0,2,0,0,0,0|2,0,0]=4 495 B8R1.5 O=C1NCCC[C@@H]1Br B41219 [0,2,0,0,0,0|1,0,1]=4 496 B8R1.5 O=C1NCCC[C@@H]1O H36756 [0,2,0,0,0,0|1,0,1]=4 497 B8R1.5 OC1CCCCC1Cl C41533 [0,2,0,0,0,0|2,0,0]=4 498 B8R1.5 OC1CCNCC1F F32301 [0,2,0,0,0,0|1,0,0]=3 499 B8R1.5 OC1CCOCC1F F20039 [0,2,0,0,0,0|2,0,0]=4 500 B8R1.5 O[C@@H]1CCNC[C@@H]1F F12118 [0,2,0,0,0,0|1,0,0]=3 501 B8R1.5 O[C@@H]1CCNC[C@H]1O D31613 [0,2,0,0,0,0|1,0,0]=3 502 B8R1.5 O[C@@H]1CCOC[C@H]1F F59990 [0,2,0,0,0,0|2,0,0]=4 503 B8R1.5 O[C@@H]1CNCC[C@H]1F F26881 [0,2,0,0,0,0|1,0,0]=3 504 B8R1.5 O[C@H]1CCCC[C@H]1O C61980 [0,2,0,0,0,0|2,0,0]=4 505 B8R1.5 O[C@H]1CCNC[C@@H]1F F10552 [0,2,0,0,0,0|1,0,0]=3 506 B8R1.5 O[C@H]1CCNC[C@@H]1F F19740 [0,2,0,0,0,0|1,0,0]=3 507 B8R1.5 O[C@H]1CCNC[C@H]1F F10553 [0,2,0,0,0,0|1,0,0]=3 508 B8R1.5 O[C@H]1CCNC[C@H]1F F20213 [0,2,0,0,0,0|1,0,0]=3 509 B8R1.5 O[C@H]1CCOC[C@H]1F F59954 [0,2,0,0,0,0|2,0,0]=4 510 B8R1.5 O[C@H]1CCOC[C@H]1F F60449 [0,2,0,0,0,0|2,0,0]=4 511 B8R1.5 O[C@H]1CNCC[C@@H]1F F10551 [0,2,0,0,0,0|1,0,0]=3 512 B8R1.5 O[C@H]1CNCC[C@H]1O P10148 [0,2,0,0,0,0|1,0,0]=3 513 B8R1.72 CC1(C)CCNCC1 D0628 [0,2,0,0,0,0|1,0,0]=3 514 B8R1.72 CC1(C)CNCCN1 D13386 [0,2,0,0,0,0|0,0,0]=2 515 B8R1.72 CC1(C)CNCCO1 D11989 [0,2,0,0,0,0|1,0,0]=3 516 B8R1.72 CC1(C)CNCCO1 D1343 [0,2,0,0,0,0|1,0,0]=3 517 B8R1.72 CC1(C)COCCN1 D24429 [0,2,0,0,0,0|1,0,0]=3 518 B8R1.72 CC1(F)CCNCC1 F43473 [0,2,0,0,0,0|1,0,0]=3 519 B8R1.72 CC1(N)CCOCC1 M10391 [0,2,0,0,0,0|2,0,0]=4 520 B8R1.72 CC1(O)CCCCC1 M43886 [0,2,0,0,0,0|2,0,0]=4 521 B8R1.72 CC1(O)CCNCC1 H7439 [0,2,0,0,0,0|1,0,0]=3 522 B8R1.72 CC1(O)CCNCC1 M0127 [0,2,0,0,0,0|1,0,0]=3 523 B8R1.72 CC1(O)CCOCC1 M25219 [0,2,0,0,0,0|2,0,0]=4 524 B8R1.72 CC1(O)CCSCC1 M41569 [0,2,0,0,0,0|2,0,0]=4 525 B8R1.72 C[C@]1(O)CCCNC1 M1131 [0,2,0,0,0,0|1,0,0]=3 526 B8R1.72 C[C@]1(O)CCCNC1 M59908 [0,2,0,0,0,0|1,0,0]=3 527 B8R1.72 C[Si]1(C)CCNCC1 D29603 [0,2,0,0,0,0|1,0,0]=3 528 B8R1.72 FC1(F)CCCNC1 D36815 [0,2,0,0,0,0|1,0,0]=3 529 B8R1.72 FC1(F)CCCNC1 D7460 [0,2,0,0,0,0|1,0,0]=3 530 B8R1.72 FC1(F)CCNCC1 D41254 [0,2,0,0,0,0|1,0,0]=3 531 B8R1.72 FC1(F)CCNCC1 D6081 [0,2,0,0,0,0|1,0,0]=3 532 B8R1.72 O=S1(=O)CCCCN1 T40268 [0,2,0,0,0,0|2,0,0]=4 533 B8R1.72 O=S1(=O)CCNCC1 T12458 [0,2,0,0,0,0|1,0,0]=3 534 B8R1.72 O=S1(=O)CCNCC1 T7565 [0,2,0,0,0,0|1,0,0]=3 535 B8R1.72 O=S1(=O)CCOCC1 D40257 [0,2,0,0,0,0|2,0,0]=4 536 B8R1.72 OC1(O)CCNCC1 P0354 [0,2,0,0,0,0|1,0,0]=3 537 B6R1.3 CNCC1CC1 C25333 [0,0,1,1,0,0|1,0,0]=3 538 B6R1.3 ICCC1CC1 I23113 [0,0,1,1,0,0|2,0,0]=4 539 B6R1.3 NCCC1CC1 C7864 [0,0,1,1,0,0|1,0,0]=3 540 B6R1.3 NNCC1CC1 C25488 [0,0,1,1,0,0|2,0,0]=4 541 B6R1.3 NOCC1CC1 C36851 [0,0,1,1,0,0|2,0,0]=4 542 B6R1.3 OCCC1CC1 C7861 [0,0,1,1,0,0|2,0,0]=4 543 B6R1.3 OCCN1CC1 A69643 [0,0,1,1,0,0|1,0,0]=3 544 B6R1.4 CC1NCC1F F21597 [0,0,1,1,0,0|1,0,0]=3 545 B6R1.4 C[C@@H]1NC[C@@H]1O M60046 [0,0,1,1,0,0|1,0,0]=3 546 B6R1.4 N[C@@H]1CNC1=O A60450 [0,0,1,1,0,0|1,0,1]=4 547 B6R1.4 N[C@H]1CNC1=O A39918 [0,0,1,1,0,0|1,0,1]=4 548 B6R1.6 BrC[C@H]1CCO1 B0614 [0,0,1,1,0,0|2,0,0]=4 549 B6R1.6 CNC1CNC1 M1333 [0,0,1,1,0,0|0,0,0]=2 550 B6R1.6 CNC1COC1 M5690 [0,0,1,1,0,0|1,0,0]=3 551 B6R1.6 CN[C@@H]1CCN1 A7337 [0,0,1,1,0,0|2,0,0]=4 552 B6R1.6 COC1CNC1 M0107 [0,0,1,1,0,0|1,0,0]=3 553 B6R1.6 CSC1CNC1 M0303 [0,0,1,1,0,0|1,0,0]=3 554 B6R1.6 FCC1CNC1 F21648 [0,0,1,1,0,0|2,0,0]=4 555 B6R1.6 ICC1CCC1 I29708 [0,0,1,1,0,0|2,0,0]=4 556 B6R1.6 IC[C@H]1CCO1 I6940 [0,0,1,1,0,0|2,0,0]=4 557 B6R1.6 N#CC1CNC1 A0188 [0,0,1,1,0,0|2,0,0]=4 558 B6R1.6 N#C[C@H]1CCN1 A60326 [0,0,1,1,0,0|0,0,2]=4 559 B6R1.6 NCC1CCC1 C0310 [0,0,1,1,0,0|1,0,0]=3 560 B6R1.6 NCC1CCC1 C1144 [0,0,1,1,0,0|1,0,0]=3 561 B6R1.6 NCC1CNC1 A13410 [0,0,1,1,0,0|2,0,0]=4 562 B6R1.6 NCC1COC1 O5691 [0,0,1,1,0,0|2,0,0]=4 563 B6R1.6 NCC1CSC1 T6978 [0,0,1,1,0,0|2,0,0]=4 564 B6R1.6 NC[C@H]1CCO1 X6187 [0,0,1,1,0,0|1,0,0]=3 565 B6R1.6 NNC1CCC1 C37776 [0,0,1,1,0,0|2,0,0]=4 566 B6R1.6 OCC1CCC1 C67424 [0,0,1,1,0,0|2,0,0]=4 567 B6R1.6 OCC1CNC1 A5874 [0,0,1,1,0,0|2,0,0]=4 568 B6R1.6 OCC1CNC1 H12177 [0,0,1,1,0,0|2,0,0]=4 569 B6R1.6 OC[C@@H]1CCN1 A11256 [0,0,1,1,0,0|1,0,0]=3 570 B6R1.6 OC[C@H]1CCN1 A11255 [0,0,1,1,0,0|1,0,0]=3 571 B6R1.6 OC[C@H]1CCN1 A11257 [0,0,1,1,0,0|1,0,0]=3 572 B6R1.6 OC[C@H]1CCO1 X6188 [0,0,1,1,0,0|2,0,0]=4 573 B6R1.6 [Mg+]CC1CCC1 C5036 [0,0,1,1,0,0|2,0,0]=4 574 B8R2.22 C1CC2CNCC12 A11809 [0,0,0,1,0,1|1,0,0]=3 575 B8R2.22 C1CC2CNCC12 A15175 [0,0,0,1,0,1|1,0,0]=3 576 B8R2.25 C1CC2OC2CO1 D13598 [0,0,0,1,0,1|2,0,0]=4 577 B8R2.25 C1CNC2CC2N1 D60443 [0,0,0,1,0,1|0,0,0]=2 578 B8R2.25 C1COC2CC2N1 X41370 [0,0,0,1,0,1|1,0,0]=3 579 B8R2.11 NC1C2COCC12 X38891 [0,1,0,1,0,0|2,0,0]=4 580 B8R2.11 N[C@@H]1[C@H]2COC[C@H]21 A13626 [0,1,0,1,0,0|2,0,0]=4 581 B8R2.11 O[C@H]1[C@@H]2CNC[C@H]12 A27611 [0,1,0,1,0,0|1,0,0]=3 582 B8R2.18 NC1CC2CC2C1 B11091 [0,1,0,1,0,0|2,0,0]=4 583 B8R2.18 O=C1CC2CC2C1 B43299 [0,1,0,1,0,0|2,0,0]=4 584 B8R2.23 C1NCC2CC1C2 A31840 [0,1,0,1,0,0|1,0,0]=3 585 B8R2.23 C1NCC2CC1O2 X15474 [0,1,0,1,0,0|1,0,0]=3 586 B8R2.23 C1NCC2CC1O2 X19506 [0,1,0,1,0,0|1,0,0]=3 587 B8R2.23 C1OCC2CC1N2 X30108 [0,1,0,1,0,0|1,0,0]=3 588 B8R2.34 C1=CC2CC1CN2 A13306 [0,1,0,1,0,0|1,0,1]=4 589 B8R2.34 C1=CC2CC1CN2 B30096 [0,1,0,1,0,0|1,0,1]=4 590 B8R2.34 C1CC2CCC1N2 A0698 [0,1,0,1,0,0|2,0,0]=4 591 B8R2.34 C1CC2CCC1N2 A8159 [0,1,0,1,0,0|2,0,0]=4 592 B8R2.34 C1OC2CNC1C2 X26396 [0,1,0,1,0,0|1,0,0]=3 593 B8R2.34 C1O[C@@H]2CN[C@H]1C2 X11751 [0,1,0,1,0,0|1,0,0]=3 594 B8R2.34 C1O[C@@H]2CN[C@H]1C2 X14975 [0,1,0,1,0,0|1,0,0]=3 595 B8R2.34 C1O[C@@H]2CN[C@H]1C2 X20221 [0,1,0,1,0,0|1,0,0]=3 596 B8R2.34 C1O[C@H]2CN[C@@H]1C2 X11749 [0,1,0,1,0,0|1,0,0]=3 597 B8R2.34 C1O[C@H]2CN[C@@H]1C2 X11750 [0,1,0,1,0,0|1,0,0]=3 598 B8R2.34 C1O[C@H]2CN[C@@H]1C2 X20220 [0,1,0,1,0,0|1,0,0]=3 599 B4R1.1 C1CNC1 A1584 [0,0,0,0,2,0|0,0,0]=2 600 B4R1.1 C1CNC1 A31833 [0,0,0,0,2,0|0,0,0]=2 601 B8R1.49 C1=CCCC=CCC1 B62320 [0,0,0,0,0,2|2,0,0]=4 602 B8R1.49 C1=CCCC=CCC1 B68003 [0,0,0,0,0,2|2,0,0]=4