0 B7R0.1 C=CCCCCCBr B43831 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.1 C=CCCCCNC M43901 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.1 C=CCCCCNC M46504 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.1 CCCCCCCBr B43897 [0,0,0,0,0,0|1,0,3]=4 4 B7R0.1 CCCCCCC[Mg+] H31707 [0,0,0,0,0,0|1,0,3]=4 5 B7R0.1 O=CCCCCC=O A3137 [0,0,0,0,0,0|1,0,3]=4 6 B7R0.1 [N-]=[N+]=NCCCC=O A3802 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.6 C=CCCCCBr B9212 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.6 C=CCCCCO H41549 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.6 C=CCCCC[Mg+] H5025 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.6 CC=CCCCO H41548 [1,0,0,0,0,0|0,0,2]=3 11 B6R0.6 CCCCCC[Mg+] H31703 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.6 CCCCCNC M41618 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.6 CCC\C=C\CO H41550 [1,0,0,0,0,0|1,0,1]=3 14 B6R0.6 CCOCCC#N E41255 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.6 C\C=C\C=C\CO H69109 [1,0,0,0,0,0|0,0,3]=4 16 B6R0.6 O=CCCCCCl C41277 [1,0,0,0,0,0|1,0,1]=3 17 B6R0.6 O=CCCCCO H32202 [1,0,0,0,0,0|1,0,1]=3 18 B8R0.1 CCOC(=O)CCC#N E63052 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.1 CCOC(=O)CCCBr B69333 [0,1,0,0,0,0|2,0,1]=4 20 B8R0.1 CCOC(=O)CCCI E31893 [0,1,0,0,0,0|2,0,1]=4 21 B8R0.1 CCOC(=O)CCCN E43487 [0,1,0,0,0,0|2,0,1]=4 22 B8R0.1 CCOC(=O)CCNC E41584 [0,1,0,0,0,0|3,0,0]=4 23 B8R0.1 CCOC(=O)CCSC E39202 [0,1,0,0,0,0|3,0,0]=4 24 B8R0.1 CCOC(=O)\C=C\C=O E69342 [0,1,0,0,0,0|1,0,2]=4 25 B8R0.4 C=CCCCCCCCl C47108 [0,1,0,0,0,0|1,0,2]=4 26 B8R0.7 NCCNCCC(=O)[O-] S41302 [0,1,0,0,0,0|2,0,1]=4 27 B8R0.7 NCCOCCC(=O)O A40415 [0,1,0,0,0,0|2,0,1]=4 28 B8R0.7 O=C(O)CCCCCBr B67880 [0,1,0,0,0,0|1,0,2]=4 29 B8R0.7 O=C(O)CCCCCCl C41527 [0,1,0,0,0,0|1,0,2]=4 30 B8R0.7 O=C(O)CCOCCBr B41274 [0,1,0,0,0,0|2,0,1]=4 31 B8R0.7 O=C([O-])CCCCCO P41406 [0,1,0,0,0,0|1,0,2]=4 32 B8R1.2 BrCC1=CCCCC1 B10308 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.2 CCC1=NC=CN=C1 E43180 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.2 O=CC1CCOCC1 T0115 [0,0,0,1,0,0|1,0,1]=3 35 B8R1.2 O=CC1CCSCC1 T31827 [0,0,0,1,0,0|1,0,1]=3 36 B8R1.2 O=CN1CCCCC1 P68910 [0,0,0,1,0,0|1,0,2]=4 37 B8R1.2 O=CN1CCOCC1 M68909 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.2 O=C[C@@H]1CCC=CO1 D15376 [0,0,0,1,0,0|1,0,0]=2 39 B8R1.2 OC[C@@H]1CC=CCC1 C43800 [0,0,0,1,0,0|0,0,2]=3 40 B8R1.5 CC1=CC=CNC1=O M68618 [0,0,0,1,0,0|1,0,2]=4 41 B8R1.5 CC1=CC=NNC1=O M5790 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.5 CN1C=CC=CC1=O M62252 [0,0,0,1,0,0|1,0,2]=4 43 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,0,0,1,0,0|0,0,2]=3 44 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,0,0,1,0,0|1,0,2]=4 45 B8R1.5 C[C@H]1CCNCC1=O M14887 [0,0,0,1,0,0|1,0,2]=4 46 B8R1.5 C[C@H]1CNCCC1=O M14880 [0,0,0,1,0,0|1,0,1]=3 47 B8R1.5 C[C@H]1CNCCC1=O M41497 [0,0,0,1,0,0|1,0,1]=3 48 B8R1.5 C[C@H]1COCCC1=O M11408 [0,0,0,1,0,0|1,0,1]=3 49 B8R1.5 N[C@H]1CCCCC1=O A63504 [0,0,0,1,0,0|1,0,2]=4 50 B8R1.5 O=C1CCCC=C1Br B3408 [0,0,0,1,0,0|1,0,2]=4 51 B8R1.5 O=C1CCNC[C@@H]1F F11694 [0,0,0,1,0,0|2,0,1]=4 52 B8R1.5 O=C1CCNC[C@@H]1F F13759 [0,0,0,1,0,0|2,0,1]=4 53 B8R1.5 O=C1CCOC[C@@H]1Br B7711 [0,0,0,1,0,0|2,0,1]=4 54 B8R1.5 O=C1CCOC[C@@H]1F F5739 [0,0,0,1,0,0|2,0,1]=4 55 B8R1.11 CC1=C(C=O)NC=C1 M63105 [0,0,0,1,0,0|1,0,2]=4 56 B8R1.11 CC1=C(C=O)SC=C1 M39271 [0,0,0,1,0,0|1,0,2]=4 57 B8R1.11 CC[C@H]1CCCC1=O E43799 [0,0,0,1,0,0|0,0,2]=3 58 B8R1.11 CN1C=CC=C1C=O M17296 [0,0,0,1,0,0|1,0,2]=4 59 B8R1.11 CN1C=CN=C1C=O M14037 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.11 O=C1CCC[C@@H]1CO H41464 [0,0,0,1,0,0|1,0,2]=4 61 B8R1.22 O=C1CCCNCC1 H12307 [0,0,0,1,0,0|1,0,1]=3 62 B8R1.22 O=C1CCOCCN1 X16165 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.22 O=C1CCSCCN1 T6235 [0,0,0,1,0,0|2,0,1]=4 64 B8R1.49 C1=CCCC=CCC1 B62320 [0,0,0,1,0,0|1,0,0]=2 65 B8R1.49 C1=CCCC=CCC1 B68003 [0,0,0,1,0,0|1,0,0]=2 66 B5R0.2 BrC\C=C\CBr D60806 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.2 C=CCCCBr B41237 [2,0,0,0,0,0|1,0,1]=4 68 B5R0.2 C=CCCCCl C41238 [2,0,0,0,0,0|1,0,1]=4 69 B5R0.2 C=CCCCO P36921 [2,0,0,0,0,0|0,0,2]=4 70 B5R0.2 CCCCON B40310 [2,0,0,0,0,0|2,0,0]=4 71 B5R0.2 CCO\C=C/Br B2725 [2,0,0,0,0,0|2,0,0]=4 72 B5R0.2 NC\C=C/CCl C65470 [2,0,0,0,0,0|2,0,0]=4 73 B5R0.2 NC\C=C/CN B69714 [2,0,0,0,0,0|2,0,0]=4 74 B5R0.2 OC\C=C\CO B64254 [2,0,0,0,0,0|1,0,1]=4 75 B7R0.3 COC(=O)CNC=O M40228 [1,1,0,0,0,0|2,0,0]=4 76 B7R0.4 CC(=O)CCCCBr B41532 [1,1,0,0,0,0|1,0,1]=4 77 B7R0.4 CCCCOC(N)=O B39165 [1,1,0,0,0,0|1,0,1]=4 78 B7R0.4 CCCOCC(=O)O P40387 [1,1,0,0,0,0|1,0,1]=4 79 B7R0.4 CCC\C=C\C(=O)O H41460 [1,1,0,0,0,0|0,0,2]=4 80 B7R0.4 CCOC=CC(=O)O E41226 [1,1,0,0,0,0|1,0,1]=4 81 B7R0.4 CNCCCC(=O)O M63276 [1,1,0,0,0,0|1,0,1]=4 82 B7R0.4 COCCCC(=O)O M67387 [1,1,0,0,0,0|1,0,1]=4 83 B7R0.4 O=C(O)CCCCBr B39187 [1,1,0,0,0,0|1,0,1]=4 84 B7R0.4 O=C(O)CCCCCl C39191 [1,1,0,0,0,0|1,0,1]=4 85 B7R0.4 O=C(O)CCCCO H37199 [1,1,0,0,0,0|1,0,1]=4 86 B7R0.4 O=C([O-])CCCCO S41306 [1,1,0,0,0,0|1,0,1]=4 87 B7R0.7 CCOC(=O)CCBr E39188 [1,1,0,0,0,0|2,0,0]=4 88 B7R0.7 CCOC(=O)CCI E41273 [1,1,0,0,0,0|2,0,0]=4 89 B7R0.7 CCOC(=O)CCO E36682 [1,1,0,0,0,0|1,0,1]=4 90 B7R0.7 CCOC(=O)[CH-]C=O E29890 [1,1,0,0,0,0|1,0,1]=4 91 B9R0.48 C=C(C)CCC(=O)OCC E69099 [0,2,0,0,0,0|2,0,0]=4 92 B9R0.48 CCOC(=O)CCC(C)=O E36601 [0,2,0,0,0,0|1,0,0]=3 93 B9R0.48 CCOC(=O)CNC(C)=O E68877 [0,2,0,0,0,0|2,0,0]=4 94 B9R0.2 NCCCCCCC(=O)O A46516 [0,2,0,0,0,0|0,0,2]=4 95 B9R0.2 NCCCCCCC(=O)O A67452 [0,2,0,0,0,0|0,0,2]=4 96 B9R0.2 O=C(O)CCCCCCBr B43862 [0,2,0,0,0,0|0,0,2]=4 97 B9R0.2 O=C(O)CCCCCCO H36659 [0,2,0,0,0,0|0,0,2]=4 98 B9R0.1 COC(=O)CCCC(=O)Cl M43405 [0,2,0,0,0,0|1,0,1]=4 99 B9R0.1 COC(=O)CCCC(=O)O M37961 [0,2,0,0,0,0|1,0,1]=4 100 B9R0.1 COC(=O)CCCC(C)=O M62839 [0,2,0,0,0,0|1,0,1]=4 101 B9R0.47 CCCCC[C@@H](N)C(=O)O A43920 [0,2,0,0,0,0|0,0,2]=4 102 B9R0.47 CCCCC[C@H](N)C(=O)O A43919 [0,2,0,0,0,0|0,0,2]=4 103 B9R0.47 CCCCC[C@H](N)C(=O)O A43921 [0,2,0,0,0,0|0,0,2]=4 104 B7R1.1 BrCC1=CCCC1 B7551 [1,0,0,1,0,0|1,0,1]=4 105 B7R1.1 O=CC1=CCCC1 C69466 [1,0,0,1,0,0|0,0,2]=4 106 B7R1.1 O=CC1CCCC1 C25963 [1,0,0,1,0,0|0,0,1]=3 107 B7R1.1 OCC1CC=CC1 C11867 [1,0,0,1,0,0|0,0,2]=4 108 B7R1.3 C=C1CCNCC1 M19855 [1,0,0,1,0,0|2,0,0]=4 109 B7R1.3 C=C1CCOCC1 M23324 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.3 CC1=CCCNC1 M12102 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.3 O=C1CCCCN1 P69632 [1,0,0,1,0,0|1,0,1]=4 112 B7R1.3 O=C1CCCNC1 P1523 [1,0,0,1,0,0|1,0,1]=4 113 B7R1.3 O=C1CCCNC1 P31811 [1,0,0,1,0,0|1,0,1]=4 114 B7R1.3 O=C1CCCOC1 T7026 [1,0,0,1,0,0|1,0,1]=4 115 B7R1.3 O=C1CCCSC1 T1776 [1,0,0,1,0,0|1,0,1]=4 116 B7R1.3 O=C1CCNCC1 P23503 [1,0,0,1,0,0|1,0,0]=3 117 B7R1.3 O=C1CCOCC1 T4632 [1,0,0,1,0,0|1,0,0]=3 118 B7R1.3 O=C1CCSCC1 T6200 [1,0,0,1,0,0|1,0,0]=3 119 B7R1.3 O=S1CCNCC1 T5787 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.4 CN1N=CCC1=O M40183 [1,0,0,1,0,0|2,0,0]=4 121 B7R1.4 C[C@@H]1OCCC1=O M41223 [1,0,0,1,0,0|1,0,0]=3 122 B7R1.4 C[C@H]1CCCC1=O M41458 [1,0,0,1,0,0|0,0,1]=3 123 B7R1.4 C[C@H]1CCNC1=O M41257 [1,0,0,1,0,0|1,0,1]=4 124 B7R1.4 C[C@H]1CCOC1=O M41224 [1,0,0,1,0,0|1,0,1]=4 125 B7R1.4 O=C1CCC=C1Br B3409 [1,0,0,1,0,0|1,0,0]=3 126 B7R1.4 O=C1CCC=C1O H41119 [1,0,0,1,0,0|1,0,0]=3 127 B7R1.8 O=C1CC[C@@H]1CO H13228 [1,0,0,1,0,0|1,0,1]=4 128 B7R1.24 C1=CCCNCC1 T67173 [1,0,0,1,0,0|1,0,0]=3 129 B9R1.2 CCC1=CC(=O)NN=C1 E43197 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.8 O=CCC1CCOCC1 T12448 [0,1,0,1,0,0|0,0,2]=4 131 B9R1.8 O=CCN1CCOCC1 M13720 [0,1,0,1,0,0|1,0,1]=4 132 B9R1.15 CCC1=CC=NNC1=O E43195 [0,1,0,1,0,0|1,0,1]=4 133 B9R1.15 CCC1=NC=CNC1=O E43188 [0,1,0,1,0,0|1,0,1]=4 134 B9R1.15 CO[C@H]1COCCC1=O M10506 [0,1,0,1,0,0|1,0,1]=4 135 B9R1.50 Br[C@@H]1CCC=CCCC1 B47049 [0,1,0,1,0,0|1,0,1]=4 136 B9R1.50 O=C1CCCCCCC1 C67881 [0,1,0,1,0,0|0,0,2]=4 137 B9R1.50 O=C1CCCCCCN1 A69570 [0,1,0,1,0,0|0,0,2]=4 138 B9R1.50 O[C@@H]1CCC=CCCC1 C9796 [0,1,0,1,0,0|0,0,2]=4 139 B9R1.69 C[C@@H]1NC(=O)CNC1=O M65174 [0,1,0,1,0,0|2,0,0]=4 140 B9R1.69 C[C@H]1CN(C)CCC1=O D23777 [0,1,0,1,0,0|1,0,1]=4 141 B9R1.5 CN1CCCCCC1=O M39292 [0,1,0,1,0,0|0,0,2]=4 142 B9R1.5 CN1CCNCCC1=O M41536 [0,1,0,1,0,0|1,0,1]=4 143 B9R1.5 CN1CCNCCC1=O M43468 [0,1,0,1,0,0|1,0,1]=4 144 B9R1.14 CCN1C=CN=C1C=O E43212 [0,1,0,1,0,0|1,0,1]=4 145 B9R1.1 O=CC1CCC(=O)CC1 X43715 [0,1,0,1,0,0|0,0,1]=3 146 B9R1.3 CC1C(=O)CCCC1=O M69234 [0,1,0,1,0,0|0,0,1]=3 147 B9R1.3 CN1C(=O)CCCC1=O M37753 [0,1,0,1,0,0|1,0,1]=4 148 B9R1.21 CCC1=CSC(C=O)=N1 E43175 [0,1,0,1,0,0|1,0,1]=4 149 B9R1.118 CC1(C=O)CCOCC1 M29900 [0,1,0,1,0,0|1,0,1]=4 150 B9R1.6 CC(=O)C1CCCCC1 C25535 [0,1,0,1,0,0|0,0,2]=4 151 B9R1.6 CC(=O)C1CCNCC1 P69462 [0,1,0,1,0,0|1,0,1]=4 152 B9R1.6 CC(=O)C1CCOCC1 T11195 [0,1,0,1,0,0|1,0,1]=4 153 B9R1.6 NC(=O)C1CCNCC1 P10277 [0,1,0,1,0,0|1,0,1]=4 154 B9R1.6 NC(=O)C1CCNCC1 P43467 [0,1,0,1,0,0|1,0,1]=4 155 B9R1.6 NC(=O)[C@@H]1CCCNC1 P12324 [0,1,0,1,0,0|1,0,1]=4 156 B9R1.6 NC(=O)[C@@H]1CCCNC1 P7512 [0,1,0,1,0,0|1,0,1]=4 157 B9R1.6 NC(=O)[C@H]1CCCNC1 P12323 [0,1,0,1,0,0|1,0,1]=4 158 B9R1.6 NC(=O)[C@H]1CCCNC1 P7513 [0,1,0,1,0,0|1,0,1]=4 159 B9R1.6 O=C(Cl)C1CCOCC1 T3932 [0,1,0,1,0,0|1,0,1]=4 160 B9R1.6 O=C(O)C1CCCCC1 C64950 [0,1,0,1,0,0|0,0,2]=4 161 B9R1.6 O=C(O)C1CCNCC1 P23933 [0,1,0,1,0,0|1,0,1]=4 162 B9R1.6 O=C(O)C1CCNCC1 P24453 [0,1,0,1,0,0|1,0,1]=4 163 B9R1.6 O=C(O)C1CCOCC1 T0117 [0,1,0,1,0,0|1,0,1]=4 164 B9R1.6 O=C(O)C1CCSCC1 T13091 [0,1,0,1,0,0|1,0,1]=4 165 B9R1.6 O=C(O)[C@@H]1CC=CCC1 C11079 [0,1,0,1,0,0|0,0,0]=2 166 B9R1.6 O=C(O)[C@@H]1CC=CCC1 C68354 [0,1,0,1,0,0|0,0,0]=2 167 B9R1.6 O=C(O)[C@@H]1CCCNC1 P12310 [0,1,0,1,0,0|1,0,1]=4 168 B9R1.6 O=C(O)[C@H]1CC=CCC1 C11080 [0,1,0,1,0,0|0,0,0]=2 169 B9R1.6 O=C(O)[C@H]1CCCNC1 P12311 [0,1,0,1,0,0|1,0,1]=4 170 B9R1.6 O=C(O)[C@H]1CCCNC1 P43444 [0,1,0,1,0,0|1,0,1]=4 171 B9R1.6 O=C(O)[C@H]1CCCOC1 T0697 [0,1,0,1,0,0|1,0,1]=4 172 B9R1.6 O=C(O)[C@H]1CCCSC1 T1163 [0,1,0,1,0,0|1,0,1]=4 173 B9R1.13 O=C(O)CC1CCCC1 C16642 [0,1,0,1,0,0|0,0,2]=4 174 B9R1.13 O=C(O)C[C@@H]1CCCN1 H14057 [0,1,0,1,0,0|1,0,1]=4 175 B9R1.13 O=C(O)C[C@@H]1CCCN1 P41505 [0,1,0,1,0,0|1,0,1]=4 176 B9R1.13 O=C(O)C[C@@H]1CCNC1 P14180 [0,1,0,1,0,0|1,0,1]=4 177 B9R1.13 O=C(O)C[C@H]1CCCN1 H14056 [0,1,0,1,0,0|1,0,1]=4 178 B9R1.13 O=C(O)C[C@H]1CCCN1 P43445 [0,1,0,1,0,0|1,0,1]=4 179 B9R1.13 O=C(O)C[C@H]1CCCN1 P69047 [0,1,0,1,0,0|1,0,1]=4 180 B9R1.13 O=C(O)C[C@H]1CCNC1 P10341 [0,1,0,1,0,0|1,0,1]=4 181 B9R1.13 O=C(O)C[C@H]1CCNC1 P14181 [0,1,0,1,0,0|1,0,1]=4 182 B9R1.13 O=C(O)C[C@H]1CCNC1 P43442 [0,1,0,1,0,0|1,0,1]=4 183 B9R1.13 O=C(O)C[C@H]1CCOC1 X19979 [0,1,0,1,0,0|1,0,1]=4 184 B9R1.40 CC1(C)CNCCC1=O D11692 [0,1,0,1,0,0|1,0,1]=4 185 B9R1.40 CC1(C)COCCC1=O D24609 [0,1,0,1,0,0|1,0,1]=4 186 B9R1.96 CCN1CC[C@H]1C(=O)O E29784 [0,1,0,1,0,0|1,0,1]=4 187 B9R2.53 O=C1C2CNCC1C2 A20053 [0,0,0,2,0,0|1,0,1]=4 188 B9R2.39 O=C1NC2C=CC1C2 A0848 [0,0,0,2,0,0|1,0,0]=3 189 B9R2.39 O=C1N[C@@H]2C=C[C@H]1C2 A29605 [0,0,0,2,0,0|1,0,0]=3 190 B9R2.39 O=C1N[C@H]2C=C[C@@H]1C2 A25418 [0,0,0,2,0,0|1,0,0]=3 191 B9R2.39 OC1CC2C=CC1C2 B43711 [0,0,0,2,0,0|0,0,2]=4 192 B9R2.109 O=C1CCCC2CC12 B13672 [0,0,0,2,0,0|0,0,2]=4