0 B7R0.1 BrCCCCCCBr D41534 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.1 C#CCCCCCO H67855 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.1 C=CCCCCCBr B43831 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.1 C=CCCCCNC M43901 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.1 C=CCCCCNC M46504 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.1 CCCCCCCBr B43897 [0,0,0,0,0,0|1,0,1]=2 6 B7R0.1 CCCCCCC[Mg+] H31707 [0,0,0,0,0,0|1,0,1]=2 7 B7R0.1 CCCCCN=[N+]=[N-] A1948 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.1 CNCCCCNC D41624 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.1 COCCOCCI K40420 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.1 COCCOCCN M38824 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.1 ClCCCCCCBr B39200 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.1 ClCCCCCCI C38559 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.1 ICCCCCCI D41535 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.1 N#CCOCCCO H31839 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.1 NCCCCCCN H68834 [0,0,0,0,0,0|2,0,1]=3 16 B7R0.1 NCCCCCCO A36606 [0,0,0,0,0,0|1,0,2]=3 17 B7R0.1 NCCCNCCBr B40441 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.1 NCCCNCCO H38578 [0,0,0,0,0,0|2,0,2]=4 19 B7R0.1 O=CCCCCC=O A3137 [0,0,0,0,0,0|1,0,1]=2 20 B7R0.1 OCCCCCCBr B41603 [0,0,0,0,0,0|1,0,2]=3 21 B7R0.1 OCCCCCCCl C64682 [0,0,0,0,0,0|1,0,2]=3 22 B7R0.1 OCCCCCCI I4468 [0,0,0,0,0,0|1,0,2]=3 23 B7R0.1 [N-]=[N+]=NCCCC=O A3802 [0,0,0,0,0,0|3,0,0]=3 24 B7R0.1 [N-]=[N+]=NCCCCN A1951 [0,0,0,0,0,0|4,0,0]=4 25 B7R0.1 [N-]=[N+]=NCCCCO A3815 [0,0,0,0,0,0|4,0,0]=4 26 B6R0.6 BrCCNCCBr B28721 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.6 C#CCCCCI K43321 [1,0,0,0,0,0|1,0,2]=4 28 B6R0.6 C#CCCCCO H41456 [1,0,0,0,0,0|0,0,3]=4 29 B6R0.6 C=CCCCCBr B9212 [1,0,0,0,0,0|1,0,1]=3 30 B6R0.6 C=CCCCCO H41549 [1,0,0,0,0,0|1,0,1]=3 31 B6R0.6 C=CCCCC[Mg+] H5025 [1,0,0,0,0,0|1,0,1]=3 32 B6R0.6 CC=CCCCO H41548 [1,0,0,0,0,0|0,0,3]=4 33 B6R0.6 CCCCCC[Mg+] H31703 [1,0,0,0,0,0|1,0,0]=2 34 B6R0.6 CCCCCNC M41618 [1,0,0,0,0,0|1,0,1]=3 35 B6R0.6 CCCCN=[N+]=[N-] A1814 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.6 CCC\C=C\CO H41550 [1,0,0,0,0,0|0,0,3]=4 37 B6R0.6 CCOCCC#N E41255 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.6 CNCCCCBr B40429 [1,0,0,0,0,0|2,0,0]=3 39 B6R0.6 CNCCCCO M38840 [1,0,0,0,0,0|1,0,1]=3 40 B6R0.6 COCCCCBr B40422 [1,0,0,0,0,0|2,0,0]=3 41 B6R0.6 ClCCCCCBr B39164 [1,0,0,0,0,0|2,0,0]=3 42 B6R0.6 ClCCNCCCl B69332 [1,0,0,0,0,0|3,0,0]=4 43 B6R0.6 FCCCCCBr B37978 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.6 ICCCCCI D24633 [1,0,0,0,0,0|2,0,0]=3 45 B6R0.6 N#CCCCCBr B41217 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.6 N#CCCCCCl C69554 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.6 N#CCCCCN A6983 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.6 NCCNCCO A68374 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.6 NCCOCCN X39968 [1,0,0,0,0,0|3,0,0]=4 50 B6R0.6 NCCOCCN X40357 [1,0,0,0,0,0|3,0,0]=4 51 B6R0.6 O=CCCCCCl C41277 [1,0,0,0,0,0|1,0,0]=2 52 B6R0.6 O=CCCCCO H32202 [1,0,0,0,0,0|1,0,0]=2 53 B6R0.6 OCCOCCCl C60784 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.6 OCCOCCO D43939 [1,0,0,0,0,0|2,0,1]=4 55 B8R0.1 CCCC[C@H](N)CCO A62132 [0,1,0,0,0,0|0,0,2]=3 56 B8R0.4 BrCCCCCCCBr D43869 [0,1,0,0,0,0|1,0,1]=3 57 B8R0.4 C#CCCCCCCO O5669 [0,1,0,0,0,0|1,0,1]=3 58 B8R0.4 C=CCCCCCCCl C47108 [0,1,0,0,0,0|1,0,0]=2 59 B8R0.4 CCCCCCCNC M47212 [0,1,0,0,0,0|1,0,1]=3 60 B8R0.4 CCCCCCN=[N+]=[N-] A1818 [0,1,0,0,0,0|2,0,0]=3 61 B8R0.4 CCOCCOCCO E60752 [0,1,0,0,0,0|1,0,2]=4 62 B8R0.4 COCCCCCCBr B43941 [0,1,0,0,0,0|1,0,1]=3 63 B8R0.4 COCCNCCOC B64968 [0,1,0,0,0,0|3,0,0]=4 64 B8R0.4 OCCCCCCCBr B43940 [0,1,0,0,0,0|0,0,2]=3 65 B8R0.4 OCCCNCCCO A37173 [0,1,0,0,0,0|1,0,2]=4 66 B8R0.4 [N-]=[N+]=NCCCCCN A1952 [0,1,0,0,0,0|3,0,0]=4 67 B8R0.6 CCCCCC(=O)CBr B43868 [0,1,0,0,0,0|1,0,2]=4 68 B8R0.6 CCCCC[C@@H](O)CC X47206 [0,1,0,0,0,0|1,0,1]=3 69 B8R0.6 NCCCC[C@H](N)CO D43570 [0,1,0,0,0,0|1,0,2]=4 70 B8R0.7 C#CCCCCC(=O)O H43713 [0,1,0,0,0,0|0,0,2]=3 71 B8R0.7 C#CCOCCC(=O)O P43310 [0,1,0,0,0,0|1,0,2]=4 72 B8R0.7 C=CCCCCC(=O)O H63383 [0,1,0,0,0,0|0,0,2]=3 73 B8R0.7 CC(C)NCCCCO I38536 [0,1,0,0,0,0|1,0,2]=4 74 B8R0.7 CCCCCCB(O)O H41623 [0,1,0,0,0,0|1,0,1]=3 75 B8R0.7 CCCCCC[C@@H](C)O X47207 [0,1,0,0,0,0|0,0,2]=3 76 B8R0.7 CCNCCCN(C)C E11170 [0,1,0,0,0,0|3,0,0]=4 77 B8R0.7 COCCOCC(=O)O M37948 [0,1,0,0,0,0|2,0,0]=3 78 B8R0.7 N=C(N)NCCCCN A37883 [0,1,0,0,0,0|3,0,0]=4 79 B8R0.7 N=C(N)NCCCCN A41393 [0,1,0,0,0,0|3,0,0]=4 80 B8R0.7 NCCNCCC(=O)[O-] S41302 [0,1,0,0,0,0|2,0,0]=3 81 B8R0.7 NCCOCCC(=O)O A40415 [0,1,0,0,0,0|2,0,0]=3 82 B8R0.7 O=C(O)CCCCCBr B67880 [0,1,0,0,0,0|1,0,0]=2 83 B8R0.7 O=C(O)CCCCCCl C41527 [0,1,0,0,0,0|1,0,0]=2 84 B8R0.7 O=C(O)CCOCCBr B41274 [0,1,0,0,0,0|2,0,0]=3 85 B8R0.7 O=C([O-])CCCCCO P41406 [0,1,0,0,0,0|1,0,0]=2 86 B8R0.7 [N-]=[N+]=NCCCC(=O)O A1941 [0,1,0,0,0,0|3,0,0]=4 87 B8R1.2 BrCC1CCCCC1 B43832 [0,0,0,1,0,0|1,0,1]=3 88 B8R1.2 BrCC1CCNCC1 B1292 [0,0,0,1,0,0|2,0,1]=4 89 B8R1.2 BrCC1CCOCC1 B3933 [0,0,0,1,0,0|2,0,1]=4 90 B8R1.2 BrC[C@H]1CCCOC1 B8026 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.2 C#CC1CCNCC1 E24220 [0,0,0,1,0,0|2,0,1]=4 92 B8R1.2 C#CC1CCOCC1 E0568 [0,0,0,1,0,0|2,0,1]=4 93 B8R1.2 C#CC1CCSCC1 E13094 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.2 C#C[C@H]1CCCNC1 E14072 [0,0,0,1,0,0|2,0,1]=4 95 B8R1.2 C#C[C@H]1CCCOC1 E14193 [0,0,0,1,0,0|2,0,1]=4 96 B8R1.2 CCC1COCCN1 O5554 [0,0,0,1,0,0|2,0,1]=4 97 B8R1.2 CC[C@@H]1CNCCN1 E67103 [0,0,0,1,0,0|2,0,1]=4 98 B8R1.2 CC[C@H]1CCCCN1 E46502 [0,0,0,1,0,0|1,0,1]=3 99 B8R1.2 CC[C@H]1CNCCN1 E13389 [0,0,0,1,0,0|2,0,1]=4 100 B8R1.2 CC[C@H]1CNCCN1 E13401 [0,0,0,1,0,0|2,0,1]=4 101 B8R1.2 CC[C@H]1CNCCN1 E65175 [0,0,0,1,0,0|2,0,1]=4 102 B8R1.2 CC[C@H]1COCCN1 E22377 [0,0,0,1,0,0|2,0,1]=4 103 B8R1.2 CNC1CCNCC1 M13774 [0,0,0,1,0,0|3,0,0]=4 104 B8R1.2 CNC1CCOCC1 M10218 [0,0,0,1,0,0|3,0,0]=4 105 B8R1.2 CN[C@H]1CCCNC1 M43509 [0,0,0,1,0,0|3,0,0]=4 106 B8R1.2 CN[C@H]1CCCNC1 M43560 [0,0,0,1,0,0|3,0,0]=4 107 B8R1.2 COC1CCNCC1 M0482 [0,0,0,1,0,0|3,0,0]=4 108 B8R1.2 COC1CCNCC1 M1164 [0,0,0,1,0,0|3,0,0]=4 109 B8R1.2 CO[C@@H]1CCCNC1 M10269 [0,0,0,1,0,0|3,0,0]=4 110 B8R1.2 CO[C@@H]1CCCNC1 M10270 [0,0,0,1,0,0|3,0,0]=4 111 B8R1.2 CO[C@H]1CCCNC1 M10271 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.2 CO[C@H]1CCCNC1 M1167 [0,0,0,1,0,0|3,0,0]=4 113 B8R1.2 CO[C@H]1CCCNC1 M7502 [0,0,0,1,0,0|3,0,0]=4 114 B8R1.2 ClC[C@H]1CCCCN1 C41543 [0,0,0,1,0,0|2,0,1]=4 115 B8R1.2 FCC1CCNCC1 F1237 [0,0,0,1,0,0|2,0,1]=4 116 B8R1.2 FCC1CCNCC1 F14211 [0,0,0,1,0,0|2,0,1]=4 117 B8R1.2 FC[C@H]1CCCCN1 F1342 [0,0,0,1,0,0|2,0,1]=4 118 B8R1.2 ICC1CCCCC1 I38363 [0,0,0,1,0,0|1,0,1]=3 119 B8R1.2 ICC1CCOCC1 I10217 [0,0,0,1,0,0|2,0,1]=4 120 B8R1.2 I[Zn]C1CCOCC1 T31854 [0,0,0,1,0,0|3,0,0]=4 121 B8R1.2 N#CC1CCCCC1 C69224 [0,0,0,1,0,0|1,0,1]=3 122 B8R1.2 N#CC1CCCCN1 P20239 [0,0,0,1,0,0|2,0,1]=4 123 B8R1.2 N#CC1CCNCC1 C10273 [0,0,0,1,0,0|2,0,1]=4 124 B8R1.2 N#CC1CCOCC1 C1508 [0,0,0,1,0,0|2,0,1]=4 125 B8R1.2 N#CC1CCSCC1 T13089 [0,0,0,1,0,0|2,0,1]=4 126 B8R1.2 N#C[C@@H]1CCCCN1 C13305 [0,0,0,1,0,0|2,0,1]=4 127 B8R1.2 N#C[C@@H]1CCCCN1 P43432 [0,0,0,1,0,0|2,0,1]=4 128 B8R1.2 N#C[C@@H]1CCCNC1 C15044 [0,0,0,1,0,0|2,0,1]=4 129 B8R1.2 N#C[C@H]1CCCNC1 C15045 [0,0,0,1,0,0|2,0,1]=4 130 B8R1.2 N#C[C@H]1CCCNC1 C1622 [0,0,0,1,0,0|2,0,1]=4 131 B8R1.2 NCC1CCCCC1 C43900 [0,0,0,1,0,0|1,0,1]=3 132 B8R1.2 NCC1CCOCC1 T1166 [0,0,0,1,0,0|2,0,1]=4 133 B8R1.2 NCC1CCSCC1 T13090 [0,0,0,1,0,0|2,0,1]=4 134 B8R1.2 NC[C@@H]1CCCOC1 T14517 [0,0,0,1,0,0|2,0,1]=4 135 B8R1.2 NC[C@H]1CCCCN1 P68366 [0,0,0,1,0,0|2,0,1]=4 136 B8R1.2 NC[C@H]1CCCNC1 P60926 [0,0,0,1,0,0|2,0,1]=4 137 B8R1.2 NC[C@H]1CCCOC1 A14515 [0,0,0,1,0,0|2,0,1]=4 138 B8R1.2 NC[C@H]1CCCOC1 T14516 [0,0,0,1,0,0|2,0,1]=4 139 B8R1.2 NNC1CCCCC1 C43508 [0,0,0,1,0,0|2,0,0]=3 140 B8R1.2 NNC1CCOCC1 T12041 [0,0,0,1,0,0|3,0,0]=4 141 B8R1.2 NNC1CCOCC1 T64234 [0,0,0,1,0,0|3,0,0]=4 142 B8R1.2 NO[C@@H]1CCCCO1 T24832 [0,0,0,1,0,0|3,0,0]=4 143 B8R1.2 O=CC1=CCCOC1 D43308 [0,0,0,1,0,0|1,0,2]=4 144 B8R1.2 O=CC1=COCCC1 D43307 [0,0,0,1,0,0|1,0,2]=4 145 B8R1.2 O=CC1CCOCC1 T0115 [0,0,0,1,0,0|1,0,0]=2 146 B8R1.2 O=CC1CCSCC1 T31827 [0,0,0,1,0,0|1,0,0]=2 147 B8R1.2 O=CN1CCCCC1 P68910 [0,0,0,1,0,0|1,0,0]=2 148 B8R1.2 O=CN1CCOCC1 M68909 [0,0,0,1,0,0|2,0,0]=3 149 B8R1.2 O=C[C@@H]1CCC=CO1 D15376 [0,0,0,1,0,0|1,0,2]=4 150 B8R1.2 OCC1CCNCC1 P0766 [0,0,0,1,0,0|1,0,2]=4 151 B8R1.2 OCC1CCOCC1 H0390 [0,0,0,1,0,0|1,0,2]=4 152 B8R1.2 OCC1CCSCC1 T13093 [0,0,0,1,0,0|1,0,2]=4 153 B8R1.2 OC[C@@H]1CC=CCC1 C43800 [0,0,0,1,0,0|2,0,1]=4 154 B8R1.2 OC[C@@H]1CCCCN1 P7111 [0,0,0,1,0,0|1,0,2]=4 155 B8R1.2 OC[C@@H]1CCCCO1 X24024 [0,0,0,1,0,0|1,0,2]=4 156 B8R1.2 OC[C@@H]1CCCNC1 P41579 [0,0,0,1,0,0|1,0,2]=4 157 B8R1.2 OC[C@@H]1CCCNC1 P60999 [0,0,0,1,0,0|1,0,2]=4 158 B8R1.2 OC[C@@H]1CCCOC1 X59846 [0,0,0,1,0,0|1,0,2]=4 159 B8R1.2 OC[C@H]1CCCCN1 H41578 [0,0,0,1,0,0|1,0,2]=4 160 B8R1.2 OC[C@H]1CCCCN1 P7110 [0,0,0,1,0,0|1,0,2]=4 161 B8R1.2 OC[C@H]1CCCNC1 P0762 [0,0,0,1,0,0|1,0,2]=4 162 B8R1.2 OC[C@H]1CCCNC1 P41576 [0,0,0,1,0,0|1,0,2]=4 163 B8R1.2 OC[C@H]1CCCOC1 H11515 [0,0,0,1,0,0|1,0,2]=4 164 B8R1.2 OC[C@H]1CCCOC1 X59849 [0,0,0,1,0,0|1,0,2]=4 165 B8R1.2 ONC1CCCCC1 C43480 [0,0,0,1,0,0|1,0,1]=3 166 B8R1.2 [Mg+]CC1CCCCC1 C31706 [0,0,0,1,0,0|1,0,1]=3 167 B8R1.5 CC1=NCCCN1C D39201 [0,0,0,1,0,0|3,0,0]=4 168 B8R1.5 CC1CCNCC1O H11697 [0,0,0,1,0,0|1,0,2]=4 169 B8R1.5 CC1CCNCC1O H11698 [0,0,0,1,0,0|1,0,2]=4 170 B8R1.5 CC1CNCCC1O M17031 [0,0,0,1,0,0|1,0,2]=4 171 B8R1.5 CC1CNCCC1O M41575 [0,0,0,1,0,0|1,0,2]=4 172 B8R1.5 CN1CCNCC1=O M12652 [0,0,0,1,0,0|2,0,0]=3 173 B8R1.5 CN1CCNCC1=O M4395 [0,0,0,1,0,0|2,0,0]=3 174 B8R1.5 C[C@@H]1CCCC[C@@H]1N M46507 [0,0,0,1,0,0|1,0,1]=3 175 B8R1.5 C[C@@H]1CCNC[C@@H]1O H14889 [0,0,0,1,0,0|1,0,2]=4 176 B8R1.5 C[C@@H]1CCNC[C@H]1O H11699 [0,0,0,1,0,0|1,0,2]=4 177 B8R1.5 C[C@@H]1CCNC[C@H]1O H14888 [0,0,0,1,0,0|1,0,2]=4 178 B8R1.5 C[C@@H]1CNCCN1C D10718 [0,0,0,1,0,0|3,0,0]=4 179 B8R1.5 C[C@@H]1CNCC[C@H]1O M30026 [0,0,0,1,0,0|1,0,2]=4 180 B8R1.5 C[C@@H]1COCC[C@H]1N M14514 [0,0,0,1,0,0|2,0,1]=4 181 B8R1.5 C[C@@H]1COCC[C@H]1N M27647 [0,0,0,1,0,0|2,0,1]=4 182 B8R1.5 C[C@@H]1COCC[C@H]1N M59772 [0,0,0,1,0,0|2,0,1]=4 183 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,0,0,1,0,0|0,0,0]=1 184 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,0,0,1,0,0|1,0,0]=2 185 B8R1.5 C[C@H]1CCNCC1=O M14887 [0,0,0,1,0,0|1,0,0]=2 186 B8R1.5 C[C@H]1CCNC[C@H]1O H11700 [0,0,0,1,0,0|1,0,2]=4 187 B8R1.5 C[C@H]1CNCCC1=O M14880 [0,0,0,1,0,0|1,0,0]=2 188 B8R1.5 C[C@H]1CNCCC1=O M41497 [0,0,0,1,0,0|1,0,0]=2 189 B8R1.5 C[C@H]1CNCCN1C D11166 [0,0,0,1,0,0|3,0,0]=4 190 B8R1.5 C[C@H]1CNCCN1C D23865 [0,0,0,1,0,0|3,0,0]=4 191 B8R1.5 C[C@H]1CNCCN1C D41606 [0,0,0,1,0,0|3,0,0]=4 192 B8R1.5 C[C@H]1COCCC1=O M11408 [0,0,0,1,0,0|1,0,0]=2 193 B8R1.5 C[C@H]1COCC[C@@H]1N M59773 [0,0,0,1,0,0|2,0,1]=4 194 B8R1.5 C[C@H]1COCC[C@H]1N M11514 [0,0,0,1,0,0|2,0,1]=4 195 B8R1.5 NN1CCCCC1=O A41312 [0,0,0,1,0,0|2,0,0]=3 196 B8R1.5 N[C@@H]1CCCC[C@H]1N C22236 [0,0,0,1,0,0|2,0,1]=4 197 B8R1.5 N[C@@H]1CCCC[C@H]1N C60843 [0,0,0,1,0,0|2,0,1]=4 198 B8R1.5 N[C@@H]1CCCC[C@H]1O A41577 [0,0,0,1,0,0|1,0,2]=4 199 B8R1.5 N[C@@H]1CCCC[C@H]1O A43481 [0,0,0,1,0,0|1,0,2]=4 200 B8R1.5 N[C@@H]1CCCNC1=O A41314 [0,0,0,1,0,0|2,0,0]=3 201 B8R1.5 N[C@H]1CCCCC1=O A63504 [0,0,0,1,0,0|1,0,0]=2 202 B8R1.5 N[C@H]1CCCC[C@@H]1N C65455 [0,0,0,1,0,0|2,0,1]=4 203 B8R1.5 N[C@H]1CCCC[C@@H]1O A43482 [0,0,0,1,0,0|1,0,2]=4 204 B8R1.5 N[C@H]1CCCC[C@@H]1O A64879 [0,0,0,1,0,0|1,0,2]=4 205 B8R1.5 N[C@H]1CCCC[C@H]1N C67193 [0,0,0,1,0,0|2,0,1]=4 206 B8R1.5 N[C@H]1CCCC[C@H]1O A38152 [0,0,0,1,0,0|1,0,2]=4 207 B8R1.5 N[C@H]1CCCC[C@H]1O A43479 [0,0,0,1,0,0|1,0,2]=4 208 B8R1.5 N[C@H]1CCCNC1=O A38933 [0,0,0,1,0,0|2,0,0]=3 209 B8R1.5 N[C@H]1CCCNC1=O A41313 [0,0,0,1,0,0|2,0,0]=3 210 B8R1.5 N[C@H]1CCCNC1=O A64847 [0,0,0,1,0,0|2,0,0]=3 211 B8R1.5 O=C1CCCC=C1Br B3408 [0,0,0,1,0,0|1,0,2]=4 212 B8R1.5 O=C1CCCCC1=O C67839 [0,0,0,1,0,0|1,0,1]=3 213 B8R1.5 O=C1CCNC[C@@H]1F F11694 [0,0,0,1,0,0|2,0,0]=3 214 B8R1.5 O=C1CCNC[C@@H]1F F13759 [0,0,0,1,0,0|2,0,0]=3 215 B8R1.5 O=C1CCOC[C@@H]1Br B7711 [0,0,0,1,0,0|2,0,0]=3 216 B8R1.5 O=C1CCOC[C@@H]1F F5739 [0,0,0,1,0,0|2,0,0]=3 217 B8R1.5 O=C1NCCC[C@@H]1Br B41219 [0,0,0,1,0,0|2,0,0]=3 218 B8R1.5 O=C1NCCC[C@@H]1O H36756 [0,0,0,1,0,0|2,0,0]=3 219 B8R1.5 OC1CCCCC1Cl C41533 [0,0,0,1,0,0|1,0,2]=4 220 B8R1.5 O[C@H]1CCCC[C@H]1O C61980 [0,0,0,1,0,0|1,0,2]=4 221 B8R1.8 C#CCN1CCCC1 P46471 [0,0,0,1,0,0|2,0,1]=4 222 B8R1.8 CCO[C@@H]1CCNC1 E13930 [0,0,0,1,0,0|3,0,0]=4 223 B8R1.8 CCO[C@H]1CCNC1 E14045 [0,0,0,1,0,0|3,0,0]=4 224 B8R1.8 CNC[C@H]1CCOC1 M1347 [0,0,0,1,0,0|3,0,0]=4 225 B8R1.8 COC[C@@H]1CCCN1 M14243 [0,0,0,1,0,0|2,0,1]=4 226 B8R1.8 COC[C@@H]1CCNC1 M14792 [0,0,0,1,0,0|3,0,0]=4 227 B8R1.8 COC[C@@H]1CCNC1 M31656 [0,0,0,1,0,0|3,0,0]=4 228 B8R1.8 COC[C@H]1CCCN1 M14242 [0,0,0,1,0,0|2,0,1]=4 229 B8R1.8 COC[C@H]1CCNC1 M14793 [0,0,0,1,0,0|3,0,0]=4 230 B8R1.8 COC[C@H]1CCNC1 M26667 [0,0,0,1,0,0|3,0,0]=4 231 B8R1.8 COC[C@H]1CCNC1 M41581 [0,0,0,1,0,0|3,0,0]=4 232 B8R1.8 ClCCN1CCCC1 C41544 [0,0,0,1,0,0|2,0,1]=4 233 B8R1.8 N#CCN1CCCC1 C43583 [0,0,0,1,0,0|2,0,1]=4 234 B8R1.8 N#CCN1CCCC1 P38197 [0,0,0,1,0,0|2,0,1]=4 235 B8R1.8 NCCC1CCCC1 C46503 [0,0,0,1,0,0|1,0,1]=3 236 B8R1.8 NCCN1CCCC1 P41605 [0,0,0,1,0,0|2,0,1]=4 237 B8R1.8 NCC[C@H]1CCCO1 T1128 [0,0,0,1,0,0|1,0,2]=4 238 B8R1.8 OCC[C@H]1CCCN1 P11010 [0,0,0,1,0,0|1,0,2]=4 239 B8R1.8 OCC[C@H]1CCNC1 P29904 [0,0,0,1,0,0|1,0,2]=4 240 B8R1.8 [N-]=[N+]=NC1CCCC1 A5984 [0,0,0,1,0,0|3,0,0]=4 241 B8R1.10 [N-]=[N+]=NCC1CCC1 A5998 [0,0,0,1,0,0|3,0,0]=4 242 B8R1.11 CC[C@H]1CCCC1=O E43799 [0,0,0,1,0,0|0,0,0]=1 243 B8R1.11 CN1CCC[C@@H]1CN M8172 [0,0,0,1,0,0|2,0,1]=4 244 B8R1.11 CN1CCC[C@@H]1CO M14129 [0,0,0,1,0,0|1,0,2]=4 245 B8R1.11 CN1CCC[C@@H]1CO M41582 [0,0,0,1,0,0|1,0,2]=4 246 B8R1.11 CN1CCC[C@H]1CBr B41540 [0,0,0,1,0,0|2,0,1]=4 247 B8R1.11 CN1CCC[C@H]1CN M0297 [0,0,0,1,0,0|2,0,1]=4 248 B8R1.11 CN1CCC[C@H]1CN M43564 [0,0,0,1,0,0|2,0,1]=4 249 B8R1.11 CN1CCC[C@H]1CO M12480 [0,0,0,1,0,0|1,0,2]=4 250 B8R1.11 CO[C@H]1CCC[C@H]1N M60050 [0,0,0,1,0,0|2,0,1]=4 251 B8R1.11 C[C@@H]1CNC[C@H]1CO M41583 [0,0,0,1,0,0|1,0,2]=4 252 B8R1.11 C[C@H]1CNC[C@@H]1CO M60070 [0,0,0,1,0,0|1,0,2]=4 253 B8R1.11 N#C[C@@H]1CCC[C@@H]1N A13659 [0,0,0,1,0,0|2,0,1]=4 254 B8R1.11 N#C[C@H]1CCC[C@H]1N A20201 [0,0,0,1,0,0|2,0,1]=4 255 B8R1.11 N#C[C@H]1COCC1=O F13819 [0,0,0,1,0,0|2,0,1]=4 256 B8R1.11 N#C[C@H]1CSCC1=O X13820 [0,0,0,1,0,0|2,0,1]=4 257 B8R1.11 O=C1CCC[C@@H]1CO H41464 [0,0,0,1,0,0|1,0,0]=2 258 B8R1.11 O=C1NCC[C@@H]1CO H13645 [0,0,0,1,0,0|2,0,0]=3 259 B8R1.13 COC[C@@H]1CC[C@H]1N M60130 [0,0,0,1,0,0|2,0,1]=4 260 B8R1.13 COC[C@H]1CC[C@@H]1N M59762 [0,0,0,1,0,0|2,0,1]=4 261 B8R1.22 CN1CCCNCC1 M1344 [0,0,0,1,0,0|3,0,0]=4 262 B8R1.22 C[C@H]1CCNCCN1 M13937 [0,0,0,1,0,0|2,0,1]=4 263 B8R1.22 F[C@H]1CCCNCC1 F12235 [0,0,0,1,0,0|2,0,1]=4 264 B8R1.22 N[C@@H]1CCCCNC1 A14699 [0,0,0,1,0,0|2,0,1]=4 265 B8R1.22 N[C@H]1CCCCNC1 A41604 [0,0,0,1,0,0|2,0,1]=4 266 B8R1.22 O=C1C=CCCCC1 C67890 [0,0,0,1,0,0|0,0,2]=3 267 B8R1.22 O=C1CCCNCC1 H12307 [0,0,0,1,0,0|1,0,0]=2 268 B8R1.22 O=C1CCOCCN1 X16165 [0,0,0,1,0,0|2,0,0]=3 269 B8R1.22 O=C1CCSCCN1 T6235 [0,0,0,1,0,0|2,0,0]=3 270 B8R1.22 O=C1CNCCCN1 D38834 [0,0,0,1,0,0|2,0,0]=3 271 B8R1.22 O[C@H]1CCCNCC1 H12234 [0,0,0,1,0,0|1,0,2]=4 272 B8R1.49 C1=CCCC=CCC1 B62320 [0,0,0,1,0,0|1,0,2]=4 273 B8R1.49 C1=CCCC=CCC1 B68003 [0,0,0,1,0,0|1,0,2]=4 274 B5R0.2 BrCCCCBr D69410 [2,0,0,0,0,0|2,0,0]=4 275 B5R0.2 C=CCCCBr B41237 [2,0,0,0,0,0|1,0,1]=4 276 B5R0.2 C=CCCCCl C41238 [2,0,0,0,0,0|1,0,1]=4 277 B5R0.2 C=CCCCO P36921 [2,0,0,0,0,0|1,0,1]=4 278 B5R0.2 CCCCON B40310 [2,0,0,0,0,0|2,0,0]=4 279 B5R0.2 CNCCCCl C39954 [2,0,0,0,0,0|2,0,0]=4 280 B5R0.2 CNCCCO M36844 [2,0,0,0,0,0|1,0,1]=4 281 B5R0.2 CNCCOC M23409 [2,0,0,0,0,0|2,0,0]=4 282 B5R0.2 COCCCBr B68335 [2,0,0,0,0,0|2,0,0]=4 283 B5R0.2 COCCCO M69411 [2,0,0,0,0,0|1,0,1]=4 284 B5R0.2 ClCCCCI C40239 [2,0,0,0,0,0|2,0,0]=4 285 B5R0.2 ICCCCI D37834 [2,0,0,0,0,0|2,0,0]=4 286 B5R0.2 NCCCCBr B39952 [2,0,0,0,0,0|2,0,0]=4 287 B5R0.2 NCCCCN D39162 [2,0,0,0,0,0|2,0,0]=4 288 B5R0.2 OCCCCBr B67330 [2,0,0,0,0,0|1,0,1]=4 289 B7R0.3 CCCC[C@@H](N)CO A43512 [1,1,0,0,0,0|0,0,1]=3 290 B7R0.3 CCCC[C@@H]([Mg+])CC E31708 [1,1,0,0,0,0|0,0,1]=3 291 B7R0.4 C#CCCCC(=O)O H43301 [1,1,0,0,0,0|0,0,2]=4 292 B7R0.4 CC(=O)CCCCBr B41532 [1,1,0,0,0,0|1,0,0]=3 293 B7R0.4 CC(=O)OCCCBr B41266 [1,1,0,0,0,0|2,0,0]=4 294 B7R0.4 CC(=O)OCCCCl C39190 [1,1,0,0,0,0|2,0,0]=4 295 B7R0.4 CC(C)CCCCBr B43898 [1,1,0,0,0,0|1,0,0]=3 296 B7R0.4 CCCCCB(O)O P38628 [1,1,0,0,0,0|1,0,1]=4 297 B7R0.4 CCCCC[C@H](C)O H43947 [1,1,0,0,0,0|0,0,1]=3 298 B7R0.4 CCCCOC(N)=O B39165 [1,1,0,0,0,0|1,0,0]=3 299 B7R0.4 CCCOCC(=O)O P40387 [1,1,0,0,0,0|1,0,0]=3 300 B7R0.4 CCC\C=C\C(=O)O H41460 [1,1,0,0,0,0|0,0,2]=4 301 B7R0.4 CN(C)CCCCO D41621 [1,1,0,0,0,0|1,0,1]=4 302 B7R0.4 CNCCCC(=O)O M63276 [1,1,0,0,0,0|1,0,0]=3 303 B7R0.4 COCCCC(=O)O M67387 [1,1,0,0,0,0|1,0,0]=3 304 B7R0.4 COCCNC(N)=O M36648 [1,1,0,0,0,0|2,0,0]=4 305 B7R0.4 C[C@H](O)CNCCO H40448 [1,1,0,0,0,0|1,0,1]=4 306 B7R0.4 N#CCCCC(=O)O C41166 [1,1,0,0,0,0|1,0,1]=4 307 B7R0.4 NC(=O)COCCCl C40247 [1,1,0,0,0,0|2,0,0]=4 308 B7R0.4 O=C(O)CCCCBr B39187 [1,1,0,0,0,0|1,0,0]=3 309 B7R0.4 O=C(O)CCCCCl C39191 [1,1,0,0,0,0|1,0,0]=3 310 B7R0.4 O=C(O)CCCCO H37199 [1,1,0,0,0,0|1,0,0]=3 311 B7R0.4 O=C(O)CNCCO H40270 [1,1,0,0,0,0|2,0,0]=4 312 B7R0.4 O=C(O)COCCCl C40236 [1,1,0,0,0,0|2,0,0]=4 313 B7R0.4 O=C([O-])CCCCO S41306 [1,1,0,0,0,0|1,0,0]=3 314 B7R0.7 CCC[C@H](N)CCO A43513 [1,1,0,0,0,0|0,0,1]=3 315 B9R0.48 CCOC(=O)CCC(C)=O E36601 [0,2,0,0,0,0|1,0,1]=4 316 B9R0.2 CC(=O)OCCCCCBr B43861 [0,2,0,0,0,0|1,0,0]=3 317 B9R0.2 CC(C)NCCCCCO I38899 [0,2,0,0,0,0|0,0,2]=4 318 B9R0.2 CCCCCCCB(O)O H43957 [0,2,0,0,0,0|0,0,2]=4 319 B9R0.2 NCCCCCCC(=O)O A46516 [0,2,0,0,0,0|0,0,0]=2 320 B9R0.2 NCCCCCCC(=O)O A67452 [0,2,0,0,0,0|0,0,0]=2 321 B9R0.2 O=C(O)CCCCCCBr B43862 [0,2,0,0,0,0|0,0,0]=2 322 B9R0.2 O=C(O)CCCCCCO H36659 [0,2,0,0,0,0|0,0,0]=2 323 B9R0.2 [N-]=[N+]=NCCCCC(=O)O A1942 [0,2,0,0,0,0|2,0,0]=4 324 B9R0.45 BrCCCCCCCCBr D60579 [0,2,0,0,0,0|1,0,1]=4 325 B9R0.45 C#CCCCCCCCO N50499 [0,2,0,0,0,0|0,0,2]=4 326 B9R0.45 C=CCCCCCCCCl C50527 [0,2,0,0,0,0|1,0,0]=3 327 B9R0.45 CCCCCCCCC[Mg+] N31713 [0,2,0,0,0,0|1,0,1]=4 328 B9R0.45 CCCCCCCCNC M50621 [0,2,0,0,0,0|1,0,1]=4 329 B9R0.45 CCCCCCCN=[N+]=[N-] A1944 [0,2,0,0,0,0|1,0,1]=4 330 B9R0.45 CCCCCCCNCC E50620 [0,2,0,0,0,0|1,0,1]=4 331 B9R0.45 OCCCCCCC#CI I1888 [0,2,0,0,0,0|1,0,1]=4 332 B9R0.45 OCCCCCCCCBr B47189 [0,2,0,0,0,0|0,0,2]=4 333 B9R0.45 OCCCCCCCCCl C47190 [0,2,0,0,0,0|0,0,2]=4 334 B9R0.45 OCCCCCCCCO X39448 [0,2,0,0,0,0|0,0,2]=4 335 B9R0.45 [N-]=[N+]=NCCCCCCN A1949 [0,2,0,0,0,0|2,0,0]=4 336 B9R0.46 C=CC(=O)NCCCCO H43842 [0,2,0,0,0,0|2,0,0]=4 337 B9R0.46 CC[C@H](C)CCCCCO M50614 [0,2,0,0,0,0|0,0,2]=4 338 B9R0.46 COC(=O)CCCCCBr M39296 [0,2,0,0,0,0|1,0,0]=3 339 B9R0.46 COC(=O)CCCCCN M67967 [0,2,0,0,0,0|1,0,0]=3 340 B9R0.1 COC(=O)CCCC(=O)Cl M43405 [0,2,0,0,0,0|1,0,1]=4 341 B9R0.1 COC(=O)CCCC(=O)O M37961 [0,2,0,0,0,0|1,0,1]=4 342 B9R0.1 COC(=O)CCCC(C)=O M62839 [0,2,0,0,0,0|1,0,1]=4 343 B9R0.47 C=CCCC[C@H](N)C(=O)O A43841 [0,2,0,0,0,0|0,0,2]=4 344 B9R0.47 CCCCC[C@@H](N)C(=O)O A43920 [0,2,0,0,0,0|0,0,0]=2 345 B9R0.47 CCCCC[C@H](N)C(=O)O A43919 [0,2,0,0,0,0|0,0,0]=2 346 B9R0.47 CCCCC[C@H](N)C(=O)O A43921 [0,2,0,0,0,0|0,0,0]=2 347 B9R0.47 NCCCC[C@@H](N)C(=O)O L64962 [0,2,0,0,0,0|1,0,0]=3 348 B9R0.47 NCCCC[C@H](N)C(N)=O D43569 [0,2,0,0,0,0|1,0,0]=3 349 B9R0.38 CCCCCCS(=O)(=O)[O-] S41600 [0,2,0,0,0,0|1,0,0]=3 350 B9R0.38 CCCCCCS(=O)(=O)[O-] S41601 [0,2,0,0,0,0|1,0,0]=3 351 B9R0.55 CC(=O)CCCCC(=O)O A43811 [0,2,0,0,0,0|0,0,1]=3 352 B9R0.55 CC(=O)CCCOC(C)=O X62778 [0,2,0,0,0,0|1,0,1]=4 353 B7R1.1 BrCC1=CCCC1 B7551 [1,0,0,1,0,0|1,0,1]=4 354 B7R1.1 BrCC1CCCC1 B23399 [1,0,0,1,0,0|1,0,0]=3 355 B7R1.1 BrC[C@H]1CCCO1 B17294 [1,0,0,1,0,0|1,0,1]=4 356 B7R1.1 BrC[C@H]1CCOC1 T0399 [1,0,0,1,0,0|2,0,0]=4 357 B7R1.1 CC[C@@H]1CCNC1 E22541 [1,0,0,1,0,0|1,0,1]=4 358 B7R1.1 CC[C@H]1CCNC1 E22542 [1,0,0,1,0,0|1,0,1]=4 359 B7R1.1 FC[C@@H]1CCCN1 F1127 [1,0,0,1,0,0|2,0,0]=4 360 B7R1.1 FC[C@@H]1CCNC1 F60420 [1,0,0,1,0,0|2,0,0]=4 361 B7R1.1 FC[C@H]1CCCN1 F12954 [1,0,0,1,0,0|2,0,0]=4 362 B7R1.1 IC[C@H]1CCOC1 I12451 [1,0,0,1,0,0|2,0,0]=4 363 B7R1.1 NCC1CCCC1 C5395 [1,0,0,1,0,0|1,0,0]=3 364 B7R1.1 NC[C@@H]1CCCN1 A7822 [1,0,0,1,0,0|2,0,0]=4 365 B7R1.1 NC[C@@H]1CCCO1 T25038 [1,0,0,1,0,0|1,0,1]=4 366 B7R1.1 NC[C@@H]1CCOC1 T10325 [1,0,0,1,0,0|2,0,0]=4 367 B7R1.1 NC[C@@H]1CCOC1 T1675 [1,0,0,1,0,0|2,0,0]=4 368 B7R1.1 NC[C@H]1CCCN1 A60830 [1,0,0,1,0,0|2,0,0]=4 369 B7R1.1 NC[C@H]1CCOC1 T10324 [1,0,0,1,0,0|2,0,0]=4 370 B7R1.1 NC[C@H]1CCOC1 T1153 [1,0,0,1,0,0|2,0,0]=4 371 B7R1.1 NC[C@H]1CCOC1 T1674 [1,0,0,1,0,0|2,0,0]=4 372 B7R1.1 NC[C@H]1CCOC1 T7262 [1,0,0,1,0,0|2,0,0]=4 373 B7R1.1 NNC1CCCC1 C22580 [1,0,0,1,0,0|2,0,0]=4 374 B7R1.1 O=CC1=CCCC1 C69466 [1,0,0,1,0,0|0,0,2]=4 375 B7R1.1 O=CC1CCCC1 C25963 [1,0,0,1,0,0|0,0,0]=2 376 B7R1.1 OCC1CCCC1 C23297 [1,0,0,1,0,0|0,0,1]=3 377 B7R1.1 OC[C@@H]1CCCN1 P1125 [1,0,0,1,0,0|1,0,1]=4 378 B7R1.1 OC[C@@H]1CCCN1 P1542 [1,0,0,1,0,0|1,0,1]=4 379 B7R1.1 OC[C@@H]1CCCO1 T40383 [1,0,0,1,0,0|1,0,1]=4 380 B7R1.1 OC[C@@H]1CCNC1 H11286 [1,0,0,1,0,0|1,0,1]=4 381 B7R1.1 OC[C@@H]1CCNC1 P1348 [1,0,0,1,0,0|1,0,1]=4 382 B7R1.1 OC[C@@H]1CCOC1 T0397 [1,0,0,1,0,0|1,0,1]=4 383 B7R1.1 OC[C@H]1CCCN1 P14128 [1,0,0,1,0,0|1,0,1]=4 384 B7R1.1 OC[C@H]1CCCN1 P67898 [1,0,0,1,0,0|1,0,1]=4 385 B7R1.1 OC[C@H]1CCCO1 T67581 [1,0,0,1,0,0|1,0,1]=4 386 B7R1.1 OC[C@H]1CCCO1 T68627 [1,0,0,1,0,0|1,0,1]=4 387 B7R1.1 OC[C@H]1CCNC1 H1594 [1,0,0,1,0,0|1,0,1]=4 388 B7R1.1 OC[C@H]1CCNC1 H7915 [1,0,0,1,0,0|1,0,1]=4 389 B7R1.1 OC[C@H]1CCNC1 P1155 [1,0,0,1,0,0|1,0,1]=4 390 B7R1.1 OC[C@H]1CCNC1 P41328 [1,0,0,1,0,0|1,0,1]=4 391 B7R1.1 OC[C@H]1CCNC1 P6954 [1,0,0,1,0,0|1,0,1]=4 392 B7R1.1 OC[C@H]1CCOC1 T0396 [1,0,0,1,0,0|1,0,1]=4 393 B7R1.1 OC[C@H]1CCOC1 T0398 [1,0,0,1,0,0|1,0,1]=4 394 B7R1.3 BrC1CCCCC1 B69054 [1,0,0,1,0,0|1,0,0]=3 395 B7R1.3 BrC1CCNCC1 B40375 [1,0,0,1,0,0|2,0,0]=4 396 B7R1.3 BrC1CCOCC1 B1507 [1,0,0,1,0,0|2,0,0]=4 397 B7R1.3 BrC1CCSCC1 B31817 [1,0,0,1,0,0|2,0,0]=4 398 B7R1.3 C=C1CCNCC1 M19855 [1,0,0,1,0,0|1,0,1]=4 399 B7R1.3 C=C1CCOCC1 M23324 [1,0,0,1,0,0|1,0,1]=4 400 B7R1.3 CC1=CCCNC1 M12102 [1,0,0,1,0,0|1,0,1]=4 401 B7R1.3 CC1=CCNCC1 M26826 [1,0,0,1,0,0|1,0,1]=4 402 B7R1.3 CC1SCCCS1 M63108 [1,0,0,1,0,0|1,1,0]=4 403 B7R1.3 C[C@@H]1CCCNC1 M43474 [1,0,0,1,0,0|1,0,1]=4 404 B7R1.3 C[C@@H]1CNCCN1 M10716 [1,0,0,1,0,0|2,0,0]=4 405 B7R1.3 C[C@@H]1CNCCO1 M15403 [1,0,0,1,0,0|1,0,1]=4 406 B7R1.3 C[C@@H]1CNCCO1 M28760 [1,0,0,1,0,0|1,0,1]=4 407 B7R1.3 C[C@@H]1COCCN1 M26868 [1,0,0,1,0,0|2,0,0]=4 408 B7R1.3 C[C@@H]1COCCN1 M9009 [1,0,0,1,0,0|2,0,0]=4 409 B7R1.3 C[C@H]1CCCCN1 M43475 [1,0,0,1,0,0|1,0,0]=3 410 B7R1.3 C[C@H]1CNCCN1 M10717 [1,0,0,1,0,0|2,0,0]=4 411 B7R1.3 C[C@H]1CNCCO1 M15401 [1,0,0,1,0,0|1,0,1]=4 412 B7R1.3 C[C@H]1CNCCO1 M15402 [1,0,0,1,0,0|1,0,1]=4 413 B7R1.3 C[C@H]1CNCCO1 M29509 [1,0,0,1,0,0|1,0,1]=4 414 B7R1.3 C[C@H]1CNCCO1 M41323 [1,0,0,1,0,0|1,0,1]=4 415 B7R1.3 C[C@H]1COCCN1 M23631 [1,0,0,1,0,0|2,0,0]=4 416 B7R1.3 C[C@H]1COCCN1 M41324 [1,0,0,1,0,0|2,0,0]=4 417 B7R1.3 C[C@H]1COCCN1 M8924 [1,0,0,1,0,0|2,0,0]=4 418 B7R1.3 ClC1CCNCC1 C40376 [1,0,0,1,0,0|2,0,0]=4 419 B7R1.3 ClC1CCOCC1 C4527 [1,0,0,1,0,0|2,0,0]=4 420 B7R1.3 FC1CCNCC1 F6080 [1,0,0,1,0,0|2,0,0]=4 421 B7R1.3 F[C@@H]1CCCNC1 F7495 [1,0,0,1,0,0|2,0,0]=4 422 B7R1.3 F[C@H]1CCCNC1 F1651 [1,0,0,1,0,0|2,0,0]=4 423 B7R1.3 F[C@H]1CCCNC1 F7461 [1,0,0,1,0,0|2,0,0]=4 424 B7R1.3 IC1CCOCC1 I1189 [1,0,0,1,0,0|2,0,0]=4 425 B7R1.3 IC1CCSCC1 I31818 [1,0,0,1,0,0|2,0,0]=4 426 B7R1.3 NC1CCCCC1 C39283 [1,0,0,1,0,0|1,0,0]=3 427 B7R1.3 NC1CCNCC1 P67610 [1,0,0,1,0,0|2,0,0]=4 428 B7R1.3 NC1CCOCC1 A1504 [1,0,0,1,0,0|2,0,0]=4 429 B7R1.3 NC1CCOCC1 T1169 [1,0,0,1,0,0|2,0,0]=4 430 B7R1.3 NC1CCSCC1 T22381 [1,0,0,1,0,0|2,0,0]=4 431 B7R1.3 NC1CCSCC1 T5312 [1,0,0,1,0,0|2,0,0]=4 432 B7R1.3 N[C@@H]1CCCNC1 A10836 [1,0,0,1,0,0|2,0,0]=4 433 B7R1.3 N[C@@H]1CCCNC1 P32424 [1,0,0,1,0,0|2,0,0]=4 434 B7R1.3 N[C@@H]1CCCOC1 X18615 [1,0,0,1,0,0|2,0,0]=4 435 B7R1.3 N[C@H]1CCCNC1 P41385 [1,0,0,1,0,0|2,0,0]=4 436 B7R1.3 N[C@H]1CCCNC1 P67457 [1,0,0,1,0,0|2,0,0]=4 437 B7R1.3 N[C@H]1CCCOC1 T1132 [1,0,0,1,0,0|2,0,0]=4 438 B7R1.3 N[C@H]1CCCOC1 X17960 [1,0,0,1,0,0|2,0,0]=4 439 B7R1.3 O=C1CCCCN1 P69632 [1,0,0,1,0,0|1,0,0]=3 440 B7R1.3 O=C1CCCNC1 P1523 [1,0,0,1,0,0|1,0,0]=3 441 B7R1.3 O=C1CCCNC1 P31811 [1,0,0,1,0,0|1,0,0]=3 442 B7R1.3 O=C1CCCOC1 T7026 [1,0,0,1,0,0|1,0,0]=3 443 B7R1.3 O=C1CCCSC1 T1776 [1,0,0,1,0,0|1,0,0]=3 444 B7R1.3 O=C1CCNCC1 P23503 [1,0,0,1,0,0|1,0,0]=3 445 B7R1.3 O=C1CCOCC1 T4632 [1,0,0,1,0,0|1,0,0]=3 446 B7R1.3 O=C1CCSCC1 T6200 [1,0,0,1,0,0|1,0,0]=3 447 B7R1.3 O=C1CNCCN1 P10419 [1,0,0,1,0,0|2,0,0]=4 448 B7R1.3 O=C1COCCN1 M7700 [1,0,0,1,0,0|2,0,0]=4 449 B7R1.3 O=C1COCCO1 D38663 [1,0,0,1,0,0|2,0,0]=4 450 B7R1.3 O=C1CSCCN1 T40230 [1,0,0,1,0,0|2,0,0]=4 451 B7R1.3 O=S1CCNCC1 T5787 [1,0,0,1,0,0|2,0,0]=4 452 B7R1.3 OC1CCNCC1 P24137 [1,0,0,1,0,0|1,0,1]=4 453 B7R1.3 OC1CCNCC1 P41321 [1,0,0,1,0,0|1,0,1]=4 454 B7R1.3 OC1CCOCC1 H0389 [1,0,0,1,0,0|1,0,1]=4 455 B7R1.3 OC1CCSCC1 H31816 [1,0,0,1,0,0|1,0,1]=4 456 B7R1.3 O[C@@H]1CCCNC1 H12298 [1,0,0,1,0,0|1,0,1]=4 457 B7R1.3 O[C@@H]1CCCNC1 H1652 [1,0,0,1,0,0|1,0,1]=4 458 B7R1.3 O[C@@H]1CCCOC1 T15984 [1,0,0,1,0,0|1,0,1]=4 459 B7R1.3 O[C@H]1CCCNC1 H0276 [1,0,0,1,0,0|1,0,1]=4 460 B7R1.3 O[C@H]1CCCNC1 H10264 [1,0,0,1,0,0|1,0,1]=4 461 B7R1.3 O[C@H]1CCCNC1 H10265 [1,0,0,1,0,0|1,0,1]=4 462 B7R1.3 O[C@H]1CCCNC1 H4736 [1,0,0,1,0,0|1,0,1]=4 463 B7R1.3 O[C@H]1CCCOC1 H11398 [1,0,0,1,0,0|1,0,1]=4 464 B7R1.3 O[C@H]1CCCOC1 T25087 [1,0,0,1,0,0|1,0,1]=4 465 B7R1.3 SC1CCNCC1 P11895 [1,0,0,1,0,0|1,1,0]=4 466 B7R1.3 S[C@H]1CCCNC1 P15399 [1,0,0,1,0,0|1,1,0]=4 467 B7R1.3 [Mg+]C1CCCCC1 C31701 [1,0,0,1,0,0|1,0,0]=3 468 B7R1.3 [Mg+]C1CCOCC1 T8353 [1,0,0,1,0,0|2,0,0]=4 469 B7R1.3 [Mg+]C1CCOCC1 T8354 [1,0,0,1,0,0|2,0,0]=4 470 B7R1.3 [Mg+]C1CCSCC1 T31824 [1,0,0,1,0,0|2,0,0]=4 471 B7R1.4 CN1CCCC1=S M6872 [1,0,0,1,0,0|1,1,0]=4 472 B7R1.4 CN1CCNC1=O M40241 [1,0,0,1,0,0|2,0,0]=4 473 B7R1.4 C[C@@H]1CNC[C@@H]1O M22730 [1,0,0,1,0,0|1,0,1]=4 474 B7R1.4 C[C@@H]1COC[C@H]1N F30099 [1,0,0,1,0,0|2,0,0]=4 475 B7R1.4 C[C@@H]1OCCC1=O M41223 [1,0,0,1,0,0|1,0,0]=3 476 B7R1.4 C[C@H]1CCCC1=O M41458 [1,0,0,1,0,0|0,0,0]=2 477 B7R1.4 C[C@H]1CCNC1=O M41257 [1,0,0,1,0,0|1,0,0]=3 478 B7R1.4 C[C@H]1CCOC1=O M41224 [1,0,0,1,0,0|1,0,0]=3 479 B7R1.4 NC1CCCC1O A40401 [1,0,0,1,0,0|1,0,1]=4 480 B7R1.4 NN1CCCC1=O A22230 [1,0,0,1,0,0|2,0,0]=4 481 B7R1.4 N[C@@H]1CCC[C@@H]1O A67556 [1,0,0,1,0,0|1,0,1]=4 482 B7R1.4 N[C@@H]1CCC[C@H]1F F59997 [1,0,0,1,0,0|2,0,0]=4 483 B7R1.4 N[C@@H]1CCC[C@H]1N C41387 [1,0,0,1,0,0|2,0,0]=4 484 B7R1.4 N[C@@H]1CCC[C@H]1O A27146 [1,0,0,1,0,0|1,0,1]=4 485 B7R1.4 N[C@@H]1CCC[C@H]1O A40405 [1,0,0,1,0,0|1,0,1]=4 486 B7R1.4 N[C@@H]1CCC[C@H]1O A41326 [1,0,0,1,0,0|1,0,1]=4 487 B7R1.4 N[C@@H]1CCNC1=O A40242 [1,0,0,1,0,0|2,0,0]=4 488 B7R1.4 N[C@@H]1CCNC1=O A62971 [1,0,0,1,0,0|2,0,0]=4 489 B7R1.4 N[C@@H]1CCOC1=O H68344 [1,0,0,1,0,0|2,0,0]=4 490 B7R1.4 N[C@H]1CCC[C@@H]1O A24888 [1,0,0,1,0,0|1,0,1]=4 491 B7R1.4 N[C@H]1CCC[C@H]1O A41327 [1,0,0,1,0,0|1,0,1]=4 492 B7R1.4 N[C@H]1CCNC1=O A24294 [1,0,0,1,0,0|2,0,0]=4 493 B7R1.4 N[C@H]1CCOC1=O A40300 [1,0,0,1,0,0|2,0,0]=4 494 B7R1.4 N[C@H]1CCOC1=O A40335 [1,0,0,1,0,0|2,0,0]=4 495 B7R1.4 O=C1NCC[C@@H]1O H20173 [1,0,0,1,0,0|2,0,0]=4 496 B7R1.4 O=C1NCC[C@@H]1O H37914 [1,0,0,1,0,0|2,0,0]=4 497 B7R1.4 O=C1NCC[C@H]1O H40227 [1,0,0,1,0,0|2,0,0]=4 498 B7R1.4 O=C1OCC[C@@H]1Br B31114 [1,0,0,1,0,0|2,0,0]=4 499 B7R1.4 O[C@@H]1CCC[C@H]1O C67710 [1,0,0,1,0,0|1,0,1]=4 500 B7R1.6 C=CCC1CNC1 P20750 [1,0,0,1,0,0|1,0,1]=4 501 B7R1.6 COC[C@@H]1CCN1 M11645 [1,0,0,1,0,0|2,0,0]=4 502 B7R1.6 COC[C@@H]1CCN1 M20218 [1,0,0,1,0,0|2,0,0]=4 503 B7R1.6 COC[C@H]1CCN1 M11646 [1,0,0,1,0,0|2,0,0]=4 504 B7R1.6 COC[C@H]1CCN1 M14791 [1,0,0,1,0,0|2,0,0]=4 505 B7R1.6 ClCCN1CCC1 C11577 [1,0,0,1,0,0|2,0,0]=4 506 B7R1.6 NCCC1CCC1 C15341 [1,0,0,1,0,0|1,0,0]=3 507 B7R1.6 NCCN1CCC1 A25439 [1,0,0,1,0,0|2,0,0]=4 508 B7R1.6 NNCC1CCC1 C17979 [1,0,0,1,0,0|2,0,0]=4 509 B7R1.6 OCCC1COC1 X6653 [1,0,0,1,0,0|1,0,1]=4 510 B7R1.6 OCCN1CCC1 A25441 [1,0,0,1,0,0|1,0,1]=4 511 B7R1.6 OCC[C@H]1CCO1 X59677 [1,0,0,1,0,0|1,0,1]=4 512 B7R1.8 CN1CC[C@@H]1CN A14392 [1,0,0,1,0,0|2,0,0]=4 513 B7R1.8 CN1CC[C@@H]1CN A14394 [1,0,0,1,0,0|2,0,0]=4 514 B7R1.8 CN1CC[C@H]1CN A14393 [1,0,0,1,0,0|2,0,0]=4 515 B7R1.8 CO[C@@H]1CC[C@H]1N M59743 [1,0,0,1,0,0|2,0,0]=4 516 B7R1.8 NCC1CCC1F F59751 [1,0,0,1,0,0|2,0,0]=4 517 B7R1.8 O=C1CC[C@@H]1CO H13228 [1,0,0,1,0,0|1,0,0]=3 518 B7R1.8 OCC1CCC1F F60214 [1,0,0,1,0,0|1,0,1]=4 519 B7R1.24 C1=CCCNCC1 T67173 [1,0,0,1,0,0|1,0,1]=4 520 B7R1.24 C1CCCNCC1 H64495 [1,0,0,1,0,0|1,0,0]=3 521 B7R1.24 C1CNCCNC1 H67920 [1,0,0,1,0,0|2,0,0]=4 522 B7R1.24 C1CNCCOC1 X1345 [1,0,0,1,0,0|1,0,1]=4 523 B7R1.24 C1CNCCSC1 H6236 [1,0,0,1,0,0|1,1,0]=4 524 B9R1.2 CC1CCCC(CO)N1 M13497 [0,1,0,1,0,0|0,0,2]=4 525 B9R1.2 CCN1CCNC(=O)C1 E43465 [0,1,0,1,0,0|2,0,0]=4 526 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 M59938 [0,1,0,1,0,0|2,0,0]=4 527 B9R1.2 N#C[C@H]1CCCC(=O)C1 X46385 [0,1,0,1,0,0|1,0,1]=4 528 B9R1.2 NC[C@H]1CCCC(=O)N1 A37687 [0,1,0,1,0,0|1,0,0]=3 529 B9R1.2 NC[C@H]1CCNC(=O)C1 A7242 [0,1,0,1,0,0|2,0,0]=4 530 B9R1.2 O=C1COC[C@H](CO)N1 H37541 [0,1,0,1,0,0|2,0,0]=4 531 B9R1.2 O=C1C[C@@H](CO)CCN1 X0577 [0,1,0,1,0,0|2,0,0]=4 532 B9R1.7 CCC[C@H]1COC(=O)C1 P43806 [0,1,0,1,0,0|1,0,0]=3 533 B9R1.8 BrCCC1CCCCC1 B0374 [0,1,0,1,0,0|1,0,1]=4 534 B9R1.8 BrCCN1CCCCC1 B43882 [0,1,0,1,0,0|1,0,1]=4 535 B9R1.8 C=CC[C@H]1COCCN1 A37189 [0,1,0,1,0,0|2,0,0]=4 536 B9R1.8 CCCC1CCNCC1 P49579 [0,1,0,1,0,0|1,0,1]=4 537 B9R1.8 CCC[C@H]1CCCCN1 P49580 [0,1,0,1,0,0|1,0,1]=4 538 B9R1.8 CNCC1CCOCC1 M1162 [0,1,0,1,0,0|2,0,0]=4 539 B9R1.8 CNC[C@H]1CCCOC1 M13661 [0,1,0,1,0,0|2,0,0]=4 540 B9R1.8 COCC1CCNCC1 M14337 [0,1,0,1,0,0|2,0,0]=4 541 B9R1.8 COCC1CCNCC1 M26475 [0,1,0,1,0,0|2,0,0]=4 542 B9R1.8 COC[C@H]1CCCCN1 M46509 [0,1,0,1,0,0|1,0,1]=4 543 B9R1.8 COC[C@H]1CCCCN1 M46512 [0,1,0,1,0,0|1,0,1]=4 544 B9R1.8 ClCCN1CCCCC1 C13526 [0,1,0,1,0,0|1,0,1]=4 545 B9R1.8 ICCC1CCCCC1 I0264 [0,1,0,1,0,0|1,0,1]=4 546 B9R1.8 N#CCC1CCCCC1 C47050 [0,1,0,1,0,0|1,0,1]=4 547 B9R1.8 N#CCC1CCNCC1 P0816 [0,1,0,1,0,0|1,0,1]=4 548 B9R1.8 N#CCC1CCOCC1 T43772 [0,1,0,1,0,0|1,0,1]=4 549 B9R1.8 N#CC[C@H]1CCCNC1 P0995 [0,1,0,1,0,0|1,0,1]=4 550 B9R1.8 NCCC1CCCCC1 C49581 [0,1,0,1,0,0|1,0,1]=4 551 B9R1.8 NCCC1CCOCC1 A1671 [0,1,0,1,0,0|1,0,1]=4 552 B9R1.8 NCCC1CCOCC1 T46515 [0,1,0,1,0,0|1,0,1]=4 553 B9R1.8 NCCN1CCCCC1 P22781 [0,1,0,1,0,0|1,0,1]=4 554 B9R1.8 NCCN1CCCCC1 P46604 [0,1,0,1,0,0|1,0,1]=4 555 B9R1.8 NNCC1CCOCC1 T18614 [0,1,0,1,0,0|2,0,0]=4 556 B9R1.8 O=CCC1CCOCC1 T12448 [0,1,0,1,0,0|0,0,0]=2 557 B9R1.8 O=CCN1CCOCC1 M13720 [0,1,0,1,0,0|1,0,0]=3 558 B9R1.8 OCCC1CCNCC1 P24598 [0,1,0,1,0,0|0,0,2]=4 559 B9R1.8 OCCC1CCOCC1 H10319 [0,1,0,1,0,0|0,0,2]=4 560 B9R1.8 OCC[C@@H]1CCCCN1 P16189 [0,1,0,1,0,0|0,0,2]=4 561 B9R1.8 OCC[C@H]1CCCCN1 P39300 [0,1,0,1,0,0|0,0,2]=4 562 B9R1.8 OCC[C@H]1CCCCN1 P43911 [0,1,0,1,0,0|0,0,2]=4 563 B9R1.8 OCC[C@H]1CCCCN1 P46511 [0,1,0,1,0,0|0,0,2]=4 564 B9R1.8 OCC[C@H]1CCCNC1 P69769 [0,1,0,1,0,0|0,0,2]=4 565 B9R1.8 [Mg+]CCC1CCCCC1 C31709 [0,1,0,1,0,0|1,0,1]=4 566 B9R1.8 [N-]=[N+]=NC1CCCCC1 A5618 [0,1,0,1,0,0|2,0,0]=4 567 B9R1.12 BrCCCN1CCCC1 B43883 [0,1,0,1,0,0|1,0,1]=4 568 B9R1.12 COCC[C@H]1CCCN1 M9079 [0,1,0,1,0,0|1,0,1]=4 569 B9R1.12 ClCCCN1CCCC1 C24351 [0,1,0,1,0,0|1,0,1]=4 570 B9R1.12 ClCCCN1CCCC1 C43884 [0,1,0,1,0,0|1,0,1]=4 571 B9R1.12 N#C\C=C\C1CCCC1 C24427 [0,1,0,1,0,0|1,0,1]=4 572 B9R1.12 NCCCN1CCCC1 P43942 [0,1,0,1,0,0|1,0,1]=4 573 B9R1.12 OCCCN1CCCC1 P43909 [0,1,0,1,0,0|0,0,2]=4 574 B9R1.15 CN1CCCC[C@@H]1CCl C43885 [0,1,0,1,0,0|1,0,1]=4 575 B9R1.15 CN1CCCC[C@@H]1CO M43912 [0,1,0,1,0,0|0,0,2]=4 576 B9R1.15 CN1CCCC[C@@H]1CO M43916 [0,1,0,1,0,0|0,0,2]=4 577 B9R1.15 CN1CCCC[C@H]1CO M43917 [0,1,0,1,0,0|0,0,2]=4 578 B9R1.15 CO[C@H]1COCCC1=O M10506 [0,1,0,1,0,0|1,0,0]=3 579 B9R1.15 N#C[C@H]1CNCCC1=O C10195 [0,1,0,1,0,0|1,0,1]=4 580 B9R1.15 O=CC1=C(Cl)CCCC1 C46451 [0,1,0,1,0,0|0,0,2]=4 581 B9R1.33 CN1CCC[C@@H]1CCN A68588 [0,1,0,1,0,0|1,0,1]=4 582 B9R1.33 CN1CCC[C@@H]1CCN M30075 [0,1,0,1,0,0|1,0,1]=4 583 B9R1.33 CN1CCC[C@@H]1CCO M24819 [0,1,0,1,0,0|0,0,2]=4 584 B9R1.33 CN1CCC[C@H]1CCN M13734 [0,1,0,1,0,0|1,0,1]=4 585 B9R1.33 NCCN1CCNC1=O A3994 [0,1,0,1,0,0|2,0,0]=4 586 B9R1.33 NCCN1CCOC1=O A61391 [0,1,0,1,0,0|2,0,0]=4 587 B9R1.48 C[C@H]1CC(=O)NCCN1 H7872 [0,1,0,1,0,0|2,0,0]=4 588 B9R1.48 O=C1CCCCC(=O)C1 C37584 [0,1,0,1,0,0|0,0,1]=3 589 B9R1.48 O=C1CCCNC(=O)C1 A43379 [0,1,0,1,0,0|1,0,1]=4 590 B9R1.49 CN1CCC[C@H](N)CC1 M0131 [0,1,0,1,0,0|2,0,0]=4 591 B9R1.49 CN1CCC[C@H](O)CC1 H12303 [0,1,0,1,0,0|2,0,0]=4 592 B9R1.49 CN1CCNC(=O)CC1 M10175 [0,1,0,1,0,0|2,0,0]=4 593 B9R1.49 N[C@H]1CCCC(=O)NC1 A43464 [0,1,0,1,0,0|1,0,0]=3 594 B9R1.49 O=C1CCC[C@H](O)CN1 H41499 [0,1,0,1,0,0|1,0,0]=3 595 B9R1.50 Br[C@@H]1CCC=CCCC1 B47049 [0,1,0,1,0,0|1,0,0]=3 596 B9R1.50 O=C1CCCCCCC1 C67881 [0,1,0,1,0,0|0,0,0]=2 597 B9R1.50 O=C1CCCCCCN1 A69570 [0,1,0,1,0,0|0,0,0]=2 598 B9R1.50 O[C@@H]1CCC=CCCC1 C9796 [0,1,0,1,0,0|1,0,0]=3 599 B9R1.69 CC1CC(N)CCN1C D13560 [0,1,0,1,0,0|2,0,0]=4 600 B9R1.69 CN1CC[C@H](N)CC1=O A0206 [0,1,0,1,0,0|1,0,0]=3 601 B9R1.69 CN1CC[C@H](N)CC1=O M7462 [0,1,0,1,0,0|1,0,0]=3 602 B9R1.69 CN1C[C@@H](N)CCC1=O A0588 [0,1,0,1,0,0|1,0,0]=3 603 B9R1.69 CN1C[C@@H](N)CCC1=O A12740 [0,1,0,1,0,0|1,0,0]=3 604 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 D13688 [0,1,0,1,0,0|2,0,0]=4 605 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 D43469 [0,1,0,1,0,0|2,0,0]=4 606 B9R1.69 C[C@H]1CCC(=O)NC1=O M43382 [0,1,0,1,0,0|1,0,1]=4 607 B9R1.69 C[C@H]1CN(C)C(=O)CN1 D13682 [0,1,0,1,0,0|2,0,0]=4 608 B9R1.69 C[C@H]1CN(C)C(=O)CN1 D30098 [0,1,0,1,0,0|2,0,0]=4 609 B9R1.69 C[C@H]1CN(C)CCC1=O D23777 [0,1,0,1,0,0|1,0,0]=3 610 B9R1.134 N#CCC1(N)CCCC1 A46479 [0,1,0,1,0,0|1,0,1]=4 611 B9R1.134 OCCC1(O)CCCC1 H6282 [0,1,0,1,0,0|0,0,2]=4 612 B9R1.5 CN1CCCCCC1=O M39292 [0,1,0,1,0,0|0,0,0]=2 613 B9R1.5 CN1CCCNCC1=O M1178 [0,1,0,1,0,0|1,0,0]=3 614 B9R1.5 CN1CCNCCC1=O M41536 [0,1,0,1,0,0|1,0,0]=3 615 B9R1.5 CN1CCNCCC1=O M43468 [0,1,0,1,0,0|1,0,0]=3 616 B9R1.5 N[C@@H]1CCCCNC1=O A43466 [0,1,0,1,0,0|1,0,0]=3 617 B9R1.5 N[C@H]1CCCCNC1=O A24830 [0,1,0,1,0,0|1,0,0]=3 618 B9R1.5 N[C@H]1CCCCNC1=O A43463 [0,1,0,1,0,0|1,0,0]=3 619 B9R1.14 CCN1CCC[C@@H]1CN A15583 [0,1,0,1,0,0|1,0,1]=4 620 B9R1.14 CCN1CCC[C@@H]1CN A15585 [0,1,0,1,0,0|1,0,1]=4 621 B9R1.14 CCN1CCC[C@H]1CN A15584 [0,1,0,1,0,0|1,0,1]=4 622 B9R1.16 C=CCCC[C@@H]1C[C@H]1O P66476 [0,1,0,1,0,0|1,0,0]=3 623 B9R1.89 COC1=NCCCCC1 M43840 [0,1,0,1,0,0|1,0,1]=4 624 B9R1.89 CO[C@H]1CCCNCC1 M16379 [0,1,0,1,0,0|2,0,0]=4 625 B9R1.89 CO[C@H]1CCCNCC1 M1861 [0,1,0,1,0,0|2,0,0]=4 626 B9R1.89 N#CC1CCCCCC1 C62451 [0,1,0,1,0,0|1,0,1]=4 627 B9R1.89 N#C[C@H]1CCCNCC1 A29590 [0,1,0,1,0,0|1,0,1]=4 628 B9R1.89 NCC1CCCCCC1 C49582 [0,1,0,1,0,0|1,0,1]=4 629 B9R1.89 OC[C@@H]1CCCCCN1 A64396 [0,1,0,1,0,0|0,0,2]=4 630 B9R1.89 OC[C@H]1CCCCNC1 A15700 [0,1,0,1,0,0|0,0,2]=4 631 B9R1.1 C#C[C@H]1CC[C@H](N)CC1 E59721 [0,1,0,1,0,0|1,0,1]=4 632 B9R1.1 C#C[C@H]1CC[C@H](O)CC1 E60262 [0,1,0,1,0,0|1,0,1]=4 633 B9R1.1 CCC1CCC(O)CC1 E47155 [0,1,0,1,0,0|1,0,1]=4 634 B9R1.1 CNC1CCC(O)CC1 M43910 [0,1,0,1,0,0|2,0,0]=4 635 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 M11757 [0,1,0,1,0,0|2,0,0]=4 636 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 M46513 [0,1,0,1,0,0|2,0,0]=4 637 B9R1.1 CN[C@H]1CC[C@H](O)CC1 M11758 [0,1,0,1,0,0|2,0,0]=4 638 B9R1.1 CN[C@H]1CC[C@H](O)CC1 M26528 [0,1,0,1,0,0|2,0,0]=4 639 B9R1.1 COC1CCC(N)CC1 M43906 [0,1,0,1,0,0|2,0,0]=4 640 B9R1.1 COC1CCC(O)CC1 M43887 [0,1,0,1,0,0|2,0,0]=4 641 B9R1.1 CO[C@H]1CC[C@H](N)CC1 M43914 [0,1,0,1,0,0|2,0,0]=4 642 B9R1.1 CO[C@H]1CC[C@H](O)CC1 M43889 [0,1,0,1,0,0|2,0,0]=4 643 B9R1.1 N#CC1CCC(N)CC1 A46478 [0,1,0,1,0,0|1,0,1]=4 644 B9R1.1 N#CC1CCC(O)CC1 H43771 [0,1,0,1,0,0|1,0,1]=4 645 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 A13284 [0,1,0,1,0,0|1,0,1]=4 646 B9R1.1 NC[C@H]1CC[C@H](O)CC1 A10700 [0,1,0,1,0,0|1,0,1]=4 647 B9R1.1 NC[C@H]1CC[C@H](O)CC1 A18732 [0,1,0,1,0,0|1,0,1]=4 648 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 A12151 [0,1,0,1,0,0|0,0,2]=4 649 B9R1.1 N[C@H]1CC[C@H](CO)CC1 A12152 [0,1,0,1,0,0|0,0,2]=4 650 B9R1.1 N[C@H]1CC[C@H](CO)CC1 A19999 [0,1,0,1,0,0|0,0,2]=4 651 B9R1.1 O=CC1CCC(=O)CC1 X43715 [0,1,0,1,0,0|0,0,1]=3 652 B9R1.3 CC1C(=O)CCCC1=O M69234 [0,1,0,1,0,0|0,0,1]=3 653 B9R1.3 CC1CCCC(O)C1C D47156 [0,1,0,1,0,0|0,0,2]=4 654 B9R1.3 CN1C(=O)CCCC1=O M37753 [0,1,0,1,0,0|1,0,1]=4 655 B9R1.3 CN1CCC[C@H](N)C1=O A11570 [0,1,0,1,0,0|1,0,0]=3 656 B9R1.3 CN1CCC[C@H](N)C1=O A14658 [0,1,0,1,0,0|1,0,0]=3 657 B9R1.3 CN1CCC[C@H](N)C1=O A43470 [0,1,0,1,0,0|1,0,0]=3 658 B9R1.11 CCC(C)C1CCNC1 M69776 [0,1,0,1,0,0|2,0,0]=4 659 B9R1.118 CC1(C=O)CCOCC1 M29900 [0,1,0,1,0,0|1,0,0]=3 660 B9R1.118 NCC1(N)CCCCC1 A62273 [0,1,0,1,0,0|1,0,1]=4 661 B9R1.118 NCC1(O)CCCCC1 A63077 [0,1,0,1,0,0|1,0,1]=4 662 B9R1.132 CN1CC[C@H](CO)C1=O H41509 [0,1,0,1,0,0|2,0,0]=4 663 B9R1.6 CC(=O)C1CCCCC1 C25535 [0,1,0,1,0,0|0,0,0]=2 664 B9R1.6 CC(=O)C1CCNCC1 P69462 [0,1,0,1,0,0|1,0,0]=3 665 B9R1.6 CC(=O)C1CCOCC1 T11195 [0,1,0,1,0,0|1,0,0]=3 666 B9R1.6 CC(=O)N1CCNCC1 A67843 [0,1,0,1,0,0|2,0,0]=4 667 B9R1.6 C[C@H](Br)C1CCCCC1 B37545 [0,1,0,1,0,0|1,0,1]=4 668 B9R1.6 N=C(N)C1CCOCC1 T7867 [0,1,0,1,0,0|2,0,0]=4 669 B9R1.6 NC(=O)C1CCNCC1 P10277 [0,1,0,1,0,0|1,0,0]=3 670 B9R1.6 NC(=O)C1CCNCC1 P43467 [0,1,0,1,0,0|1,0,0]=3 671 B9R1.6 NC(=O)[C@@H]1CCCNC1 P12324 [0,1,0,1,0,0|1,0,0]=3 672 B9R1.6 NC(=O)[C@@H]1CCCNC1 P7512 [0,1,0,1,0,0|1,0,0]=3 673 B9R1.6 NC(=O)[C@H]1CCCNC1 P12323 [0,1,0,1,0,0|1,0,0]=3 674 B9R1.6 NC(=O)[C@H]1CCCNC1 P7513 [0,1,0,1,0,0|1,0,0]=3 675 B9R1.6 O=C(Cl)C1CCOCC1 T3932 [0,1,0,1,0,0|1,0,0]=3 676 B9R1.6 O=C(O)C1CCCCC1 C64950 [0,1,0,1,0,0|0,0,0]=2 677 B9R1.6 O=C(O)C1CCNCC1 P23933 [0,1,0,1,0,0|1,0,0]=3 678 B9R1.6 O=C(O)C1CCNCC1 P24453 [0,1,0,1,0,0|1,0,0]=3 679 B9R1.6 O=C(O)C1CCOCC1 T0117 [0,1,0,1,0,0|1,0,0]=3 680 B9R1.6 O=C(O)C1CCSCC1 T13091 [0,1,0,1,0,0|1,0,0]=3 681 B9R1.6 O=C(O)N1CCCCC1 P62582 [0,1,0,1,0,0|1,0,0]=3 682 B9R1.6 O=C(O)[C@@H]1CC=CCC1 C11079 [0,1,0,1,0,0|0,0,2]=4 683 B9R1.6 O=C(O)[C@@H]1CC=CCC1 C68354 [0,1,0,1,0,0|0,0,2]=4 684 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43440 [0,1,0,1,0,0|1,0,0]=3 685 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43443 [0,1,0,1,0,0|1,0,0]=3 686 B9R1.6 O=C(O)[C@@H]1CCCCO1 T31331 [0,1,0,1,0,0|1,0,0]=3 687 B9R1.6 O=C(O)[C@@H]1CCCNC1 P12310 [0,1,0,1,0,0|1,0,0]=3 688 B9R1.6 O=C(O)[C@@H]1CNCCN1 P10721 [0,1,0,1,0,0|2,0,0]=4 689 B9R1.6 O=C(O)[C@@H]1CNCCN1 P11877 [0,1,0,1,0,0|2,0,0]=4 690 B9R1.6 O=C(O)[C@@H]1CNCCN1 P13373 [0,1,0,1,0,0|2,0,0]=4 691 B9R1.6 O=C(O)[C@@H]1CNCCN1 P41382 [0,1,0,1,0,0|2,0,0]=4 692 B9R1.6 O=C(O)[C@@H]1CNCCO1 M41374 [0,1,0,1,0,0|2,0,0]=4 693 B9R1.6 O=C(O)[C@@H]1CNCCO1 M61070 [0,1,0,1,0,0|2,0,0]=4 694 B9R1.6 O=C(O)[C@@H]1COCCN1 M15337 [0,1,0,1,0,0|2,0,0]=4 695 B9R1.6 O=C(O)[C@@H]1COCCN1 M17082 [0,1,0,1,0,0|2,0,0]=4 696 B9R1.6 O=C(O)[C@@H]1COCCN1 M31616 [0,1,0,1,0,0|2,0,0]=4 697 B9R1.6 O=C(O)[C@@H]1COCCO1 D41234 [0,1,0,1,0,0|2,0,0]=4 698 B9R1.6 O=C(O)[C@H]1CC=CCC1 C11080 [0,1,0,1,0,0|0,0,2]=4 699 B9R1.6 O=C(O)[C@H]1CCCCN1 P28251 [0,1,0,1,0,0|1,0,0]=3 700 B9R1.6 O=C(O)[C@H]1CCCNC1 P12311 [0,1,0,1,0,0|1,0,0]=3 701 B9R1.6 O=C(O)[C@H]1CCCNC1 P43444 [0,1,0,1,0,0|1,0,0]=3 702 B9R1.6 O=C(O)[C@H]1CCCOC1 T0697 [0,1,0,1,0,0|1,0,0]=3 703 B9R1.6 O=C(O)[C@H]1CCCSC1 T1163 [0,1,0,1,0,0|1,0,0]=3 704 B9R1.6 O=C(O)[C@H]1CNCCN1 P10722 [0,1,0,1,0,0|2,0,0]=4 705 B9R1.6 O=C(O)[C@H]1CNCCN1 P11878 [0,1,0,1,0,0|2,0,0]=4 706 B9R1.6 O=C(O)[C@H]1CNCCO1 M18388 [0,1,0,1,0,0|2,0,0]=4 707 B9R1.6 O=C(O)[C@H]1CNCCO1 M63934 [0,1,0,1,0,0|2,0,0]=4 708 B9R1.6 O=C(O)[C@H]1COCCN1 M15338 [0,1,0,1,0,0|2,0,0]=4 709 B9R1.6 O=C(O)[C@H]1COCCN1 M41376 [0,1,0,1,0,0|2,0,0]=4 710 B9R1.6 O=C(O)[C@H]1COCCO1 D41233 [0,1,0,1,0,0|2,0,0]=4 711 B9R1.6 OB(O)C1CCCCC1 C2380 [0,1,0,1,0,0|1,0,1]=4 712 B9R1.13 CC(=O)N[C@@H]1CCNC1 A14336 [0,1,0,1,0,0|2,0,0]=4 713 B9R1.13 CC(=O)N[C@H]1CCNC1 A14335 [0,1,0,1,0,0|2,0,0]=4 714 B9R1.13 CC(=O)N[C@H]1CCNC1 P63075 [0,1,0,1,0,0|2,0,0]=4 715 B9R1.13 O=C(Cl)OC1CCCC1 C43402 [0,1,0,1,0,0|1,0,0]=3 716 B9R1.13 O=C(O)CC1CCCC1 C16642 [0,1,0,1,0,0|0,0,0]=2 717 B9R1.13 O=C(O)CN1CCCC1 P41503 [0,1,0,1,0,0|1,0,0]=3 718 B9R1.13 O=C(O)CN1CCCC1 P43441 [0,1,0,1,0,0|1,0,0]=3 719 B9R1.13 O=C(O)C[C@@H]1CCCN1 H14057 [0,1,0,1,0,0|1,0,0]=3 720 B9R1.13 O=C(O)C[C@@H]1CCCN1 P41505 [0,1,0,1,0,0|1,0,0]=3 721 B9R1.13 O=C(O)C[C@@H]1CCNC1 P14180 [0,1,0,1,0,0|1,0,0]=3 722 B9R1.13 O=C(O)C[C@H]1CCCN1 H14056 [0,1,0,1,0,0|1,0,0]=3 723 B9R1.13 O=C(O)C[C@H]1CCCN1 P43445 [0,1,0,1,0,0|1,0,0]=3 724 B9R1.13 O=C(O)C[C@H]1CCCN1 P69047 [0,1,0,1,0,0|1,0,0]=3 725 B9R1.13 O=C(O)C[C@H]1CCNC1 P10341 [0,1,0,1,0,0|1,0,0]=3 726 B9R1.13 O=C(O)C[C@H]1CCNC1 P14181 [0,1,0,1,0,0|1,0,0]=3 727 B9R1.13 O=C(O)C[C@H]1CCNC1 P43442 [0,1,0,1,0,0|1,0,0]=3 728 B9R1.13 O=C(O)C[C@H]1CCOC1 X19979 [0,1,0,1,0,0|1,0,0]=3 729 B9R1.40 CC1(C)CCCOC1=O D63281 [0,1,0,1,0,0|1,0,0]=3 730 B9R1.40 CC1(C)CNCCC1=O D11692 [0,1,0,1,0,0|1,0,0]=3 731 B9R1.40 CC1(C)COCCC1=O D24609 [0,1,0,1,0,0|1,0,0]=3 732 B9R1.40 CC1(C)NCCNC1=O D10774 [0,1,0,1,0,0|2,0,0]=4 733 B9R1.40 O=C1CCNCC1(F)F D11695 [0,1,0,1,0,0|2,0,0]=4 734 B9R1.41 CC(=O)[C@@H]1CCOC1=O A60775 [0,1,0,1,0,0|1,0,1]=4 735 B9R1.41 CN1CCC[C@@H]1C(=O)O M24378 [0,1,0,1,0,0|1,0,0]=3 736 B9R1.41 CN1CCC[C@@H]1C(=O)O M29559 [0,1,0,1,0,0|1,0,0]=3 737 B9R1.41 CN1CCC[C@@H]1C(=O)O M43438 [0,1,0,1,0,0|1,0,0]=3 738 B9R1.41 CN1CCC[C@H]1C(=O)O M22169 [0,1,0,1,0,0|1,0,0]=3 739 B9R1.41 CN1CCC[C@H]1C(=O)O M24873 [0,1,0,1,0,0|1,0,0]=3 740 B9R1.41 CN1CCC[C@H]1C(=O)O M43447 [0,1,0,1,0,0|1,0,0]=3 741 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O A23278 [0,1,0,1,0,0|1,0,0]=3 742 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H13252 [0,1,0,1,0,0|2,0,0]=4 743 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H23787 [0,1,0,1,0,0|2,0,0]=4 744 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H27028 [0,1,0,1,0,0|2,0,0]=4 745 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H27029 [0,1,0,1,0,0|2,0,0]=4 746 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O H13665 [0,1,0,1,0,0|2,0,0]=4 747 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O H27030 [0,1,0,1,0,0|2,0,0]=4 748 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O H14383 [0,1,0,1,0,0|2,0,0]=4 749 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O H27031 [0,1,0,1,0,0|2,0,0]=4 750 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O H13249 [0,1,0,1,0,0|2,0,0]=4 751 B9R1.96 CCC1CN[C@@H]1C(=O)O A30119 [0,1,0,1,0,0|1,0,0]=3 752 B9R1.96 CCN1CC[C@H]1C(=O)O E29784 [0,1,0,1,0,0|1,0,0]=3 753 B9R1.148 O=S1(=O)CCCNCC1 T6238 [0,1,0,1,0,0|2,0,0]=4 754 B9R2.49 C1CC2CCC1CN2 A11448 [0,0,0,2,0,0|1,0,1]=4 755 B9R2.49 C1CC2CCC1CN2 A8975 [0,0,0,2,0,0|1,0,1]=4 756 B9R2.53 O=C1C2CNCC1C2 A20053 [0,0,0,2,0,0|1,0,0]=3 757 B9R2.68 C1CC2CCC(C1)N2 A1635 [0,0,0,2,0,0|1,0,1]=4 758 B9R2.68 C1CC2CCC(C1)N2 A29908 [0,0,0,2,0,0|1,0,1]=4 759 B9R2.123 NC1C2CCCCC12 B60253 [0,0,0,2,0,0|1,0,1]=4 760 B9R2.6 NC12CCCCC1C2 B60483 [0,0,0,2,0,0|1,0,1]=4 761 B9R2.19 O=C1NCC2CC1N2 X13999 [0,0,0,2,0,0|2,0,0]=4 762 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 B61600 [0,0,0,2,0,0|1,0,1]=4 763 B9R2.39 O=C1NC2CCC1C2 A64651 [0,0,0,2,0,0|1,0,0]=3 764 B9R2.39 O=C1OC2CCC1C2 X31814 [0,0,0,2,0,0|1,0,0]=3 765 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 X43582 [0,0,0,2,0,0|2,0,0]=4 766 B9R2.39 OC1CC2C=CC1C2 B43711 [0,0,0,2,0,0|2,0,0]=4 767 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1C2 B62162 [0,0,0,2,0,0|0,0,2]=4 768 B9R2.109 O=C1CCCC2CC12 B13672 [0,0,0,2,0,0|0,0,0]=2 769 B9R2.109 O=C1CCCC2OC12 X43306 [0,0,0,2,0,0|1,0,0]=3 770 B9R2.2 C1C[C@H](C2CC2)CN1 C43833 [0,0,0,2,0,0|2,0,0]=4 771 B9R2.3 C1CC2CNCC2C1 X37040 [0,0,0,2,0,0|1,0,1]=4 772 B9R2.3 C1C[C@@H]2CNC[C@@H]2C1 X14333 [0,0,0,2,0,0|1,0,1]=4 773 B9R2.173 C1CC2(C1)CCNC2 A20236 [0,0,0,2,0,0|2,0,0]=4 774 B9R2.173 C1CC2(C1)CCNC2 A7181 [0,0,0,2,0,0|2,0,0]=4 775 B9R2.173 C1CCC2(C1)CCN2 A14687 [0,0,0,2,0,0|1,0,1]=4 776 B9R2.173 C1CCC2(C1)CNC2 A12064 [0,0,0,2,0,0|2,0,0]=4 777 B9R2.173 C1CCC2(C1)CNC2 A15578 [0,0,0,2,0,0|2,0,0]=4 778 B9R2.173 C1CNC2(C1)CCC2 A15582 [0,0,0,2,0,0|1,0,1]=4 779 B9R2.173 C1CNC2(C1)CCC2 A7184 [0,0,0,2,0,0|1,0,1]=4 780 B9R2.21 O=C1CC2CC2CN1 A59683 [0,0,0,2,0,0|1,0,0]=3 781 B9R2.140 N[C@H]1CCC12CCC2 S59785 [0,0,0,2,0,0|1,0,1]=4