0 B6R1.2 Br[C@H]1CCNC1 B40246 [0,0,0,0,0,0|2,0,0]=2 1 B6R1.2 Br[C@H]1CCOC1 B0393 [0,0,0,0,0,0|2,0,0]=2 2 B6R1.2 CC1=NCCC1 M41239 [0,0,0,0,0,0|2,0,1]=3 3 B6R1.2 C[C@@H]1CCCN1 M23610 [0,0,0,0,0,0|2,0,0]=2 4 B6R1.2 C[C@@H]1CCNC1 M22540 [0,0,0,0,0,0|2,0,0]=2 5 B6R1.2 C[C@H]1CCCN1 M21836 [0,0,0,0,0,0|2,0,0]=2 6 B6R1.2 C[C@H]1CCCN1 M24199 [0,0,0,0,0,0|2,0,0]=2 7 B6R1.2 C[C@H]1CCCN1 M24435 [0,0,0,0,0,0|2,0,0]=2 8 B6R1.2 C[C@H]1CCNC1 M22012 [0,0,0,0,0,0|2,0,0]=2 9 B6R1.2 C[C@H]1CCNC1 M69520 [0,0,0,0,0,0|2,0,0]=2 10 B6R1.2 F[C@@H]1CCNC1 F7494 [0,0,0,0,0,0|2,0,0]=2 11 B6R1.2 F[C@H]1CCNC1 F0136 [0,0,0,0,0,0|2,0,0]=2 12 B6R1.2 F[C@H]1CCNC1 F7493 [0,0,0,0,0,0|2,0,0]=2 13 B6R1.2 IC1CCCC1 I20419 [0,0,0,0,0,0|1,0,0]=1 14 B6R1.2 I[C@@H]1CCOC1 I1538 [0,0,0,0,0,0|2,0,0]=2 15 B6R1.2 I[C@H]1CCOC1 I0392 [0,0,0,0,0,0|2,0,0]=2 16 B6R1.2 I[C@H]1CCOC1 I1672 [0,0,0,0,0,0|2,0,0]=2 17 B6R1.2 NC1=NCCC1 D38561 [0,0,0,0,0,0|2,0,1]=3 18 B6R1.2 NC1CC=CC1 A13279 [0,0,0,0,0,0|1,0,2]=3 19 B6R1.2 N[C@@H]1CCNC1 P16877 [0,0,0,0,0,0|2,0,0]=2 20 B6R1.2 N[C@@H]1CCNC1 P16878 [0,0,0,0,0,0|2,0,0]=2 21 B6R1.2 N[C@@H]1CCOC1 A7431 [0,0,0,0,0,0|2,0,0]=2 22 B6R1.2 N[C@@H]1CCOC1 X16388 [0,0,0,0,0,0|2,0,0]=2 23 B6R1.2 N[C@H]1CCNC1 P16879 [0,0,0,0,0,0|2,0,0]=2 24 B6R1.2 N[C@H]1CCNC1 P68854 [0,0,0,0,0,0|2,0,0]=2 25 B6R1.2 N[C@H]1CCOC1 A0023 [0,0,0,0,0,0|2,0,0]=2 26 B6R1.2 N[C@H]1CCOC1 A7432 [0,0,0,0,0,0|2,0,0]=2 27 B6R1.2 N[C@H]1CCOC1 T40344 [0,0,0,0,0,0|2,0,0]=2 28 B6R1.2 N[C@H]1CCOC1 X22238 [0,0,0,0,0,0|2,0,0]=2 29 B6R1.2 O=C1C=CCC1 C26583 [0,0,0,0,0,0|0,1,3]=4 30 B6R1.2 O=C1CC=CC1 C19712 [0,0,0,0,0,0|0,1,3]=4 31 B6R1.2 O=C1CCNC1 P0198 [0,0,0,0,0,0|1,1,1]=3 32 B6R1.2 O=C1CCNN1 P39917 [0,0,0,0,0,0|2,1,1]=4 33 B6R1.2 O=C1CCOC1 X0391 [0,0,0,0,0,0|1,1,1]=3 34 B6R1.2 O=C1CCSC1 D10906 [0,0,0,0,0,0|1,1,1]=3 35 B6R1.2 O=C1NCCN1 K62398 [0,0,0,0,0,0|2,1,1]=4 36 B6R1.2 O=C1NCCS1 T39859 [0,0,0,0,0,0|2,1,1]=4 37 B6R1.2 OC1CC=CC1 C67522 [0,0,0,0,0,0|0,1,2]=3 38 B6R1.2 O[C@@H]1CCNC1 H7458 [0,0,0,0,0,0|1,1,0]=2 39 B6R1.2 O[C@@H]1CCNC1 P4643 [0,0,0,0,0,0|1,1,0]=2 40 B6R1.2 O[C@@H]1CCOC1 H7563 [0,0,0,0,0,0|1,1,0]=2 41 B6R1.2 O[C@H]1CCNC1 H0275 [0,0,0,0,0,0|1,1,0]=2 42 B6R1.2 O[C@H]1CCNC1 H7496 [0,0,0,0,0,0|1,1,0]=2 43 B6R1.2 O[C@H]1CCNC1 P0679 [0,0,0,0,0,0|1,1,0]=2 44 B6R1.2 O[C@H]1CCOC1 H0466 [0,0,0,0,0,0|1,1,0]=2 45 B6R1.2 O[C@H]1CCOC1 H10322 [0,0,0,0,0,0|1,1,0]=2 46 B6R1.2 O[C@H]1CNOC1 K39924 [0,0,0,0,0,0|2,1,0]=3 47 B6R1.2 [Mg+][C@H]1CCOC1 T2962 [0,0,0,0,0,0|2,0,0]=2 48 B5R1.1 C1=CCNC1 D40328 [1,0,0,0,0,0|1,0,2]=4 49 B5R1.1 C1CNNC1 P39938 [1,0,0,0,0,0|2,0,0]=3 50 B5R1.1 C1CSCN1 T38217 [1,0,0,0,0,0|2,0,0]=3 51 B5R1.1 C1CSCN1 T60563 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.1 BrCC1=CCCC1 B7551 [0,1,0,0,0,0|1,0,2]=4 53 B7R1.1 BrCC1CCCC1 B23399 [0,1,0,0,0,0|1,0,0]=2 54 B7R1.1 BrC[C@H]1CCCO1 B17294 [0,1,0,0,0,0|2,0,0]=3 55 B7R1.1 BrC[C@H]1CCOC1 T0399 [0,1,0,0,0,0|2,0,0]=3 56 B7R1.1 C#C[C@H]1CCOC1 E11326 [0,1,0,0,0,0|2,0,0]=3 57 B7R1.1 CC[C@@H]1CCNC1 E22541 [0,1,0,0,0,0|2,0,0]=3 58 B7R1.1 CC[C@H]1CCNC1 E22542 [0,1,0,0,0,0|2,0,0]=3 59 B7R1.1 CN[C@@H]1CCOC1 M15031 [0,1,0,0,0,0|2,0,0]=3 60 B7R1.1 CN[C@H]1CCOC1 M1156 [0,1,0,0,0,0|2,0,0]=3 61 B7R1.1 COC1=NCCC1 M69559 [0,1,0,0,0,0|1,1,1]=4 62 B7R1.1 CO[C@@H]1CCNC1 M0200 [0,1,0,0,0,0|1,1,0]=3 63 B7R1.1 CO[C@@H]1CCNC1 M12251 [0,1,0,0,0,0|1,1,0]=3 64 B7R1.1 CO[C@H]1CCNC1 M1159 [0,1,0,0,0,0|1,1,0]=3 65 B7R1.1 CO[C@H]1CCNC1 M7459 [0,1,0,0,0,0|1,1,0]=3 66 B7R1.1 FC[C@@H]1CCCN1 F1127 [0,1,0,0,0,0|2,0,0]=3 67 B7R1.1 FC[C@@H]1CCNC1 F60420 [0,1,0,0,0,0|2,0,0]=3 68 B7R1.1 FC[C@H]1CCCN1 F12954 [0,1,0,0,0,0|2,0,0]=3 69 B7R1.1 IC[C@H]1CCOC1 I12451 [0,1,0,0,0,0|2,0,0]=3 70 B7R1.1 N#C[C@@H]1CCCN1 C10155 [0,1,0,0,0,0|2,0,0]=3 71 B7R1.1 N#C[C@@H]1CCCN1 C10523 [0,1,0,0,0,0|2,0,0]=3 72 B7R1.1 N#C[C@@H]1CCCN1 C12934 [0,1,0,0,0,0|2,0,0]=3 73 B7R1.1 N#C[C@@H]1CCCN1 C12935 [0,1,0,0,0,0|2,0,0]=3 74 B7R1.1 N#C[C@@H]1CCNC1 P1832 [0,1,0,0,0,0|2,0,0]=3 75 B7R1.1 N#C[C@@H]1CCOC1 T12072 [0,1,0,0,0,0|2,0,0]=3 76 B7R1.1 N#C[C@H]1CCCN1 C10524 [0,1,0,0,0,0|2,0,0]=3 77 B7R1.1 N#C[C@H]1CCCN1 C12936 [0,1,0,0,0,0|2,0,0]=3 78 B7R1.1 N#C[C@H]1CCNC1 C7506 [0,1,0,0,0,0|2,0,0]=3 79 B7R1.1 N#C[C@H]1CCNC1 P12308 [0,1,0,0,0,0|2,0,0]=3 80 B7R1.1 N#C[C@H]1CCNC1 P1833 [0,1,0,0,0,0|2,0,0]=3 81 B7R1.1 N#C[C@H]1CCOC1 T12073 [0,1,0,0,0,0|2,0,0]=3 82 B7R1.1 N#C[C@H]1CCOC1 T12452 [0,1,0,0,0,0|2,0,0]=3 83 B7R1.1 NCC1CCCC1 C5395 [0,1,0,0,0,0|1,0,0]=2 84 B7R1.1 NC[C@@H]1CCCN1 A7822 [0,1,0,0,0,0|2,0,0]=3 85 B7R1.1 NC[C@@H]1CCCO1 T25038 [0,1,0,0,0,0|2,0,0]=3 86 B7R1.1 NC[C@@H]1CCOC1 T10325 [0,1,0,0,0,0|2,0,0]=3 87 B7R1.1 NC[C@@H]1CCOC1 T1675 [0,1,0,0,0,0|2,0,0]=3 88 B7R1.1 NC[C@H]1CCCN1 A60830 [0,1,0,0,0,0|2,0,0]=3 89 B7R1.1 NC[C@H]1CCOC1 T10324 [0,1,0,0,0,0|2,0,0]=3 90 B7R1.1 NC[C@H]1CCOC1 T1153 [0,1,0,0,0,0|2,0,0]=3 91 B7R1.1 NC[C@H]1CCOC1 T1674 [0,1,0,0,0,0|2,0,0]=3 92 B7R1.1 NC[C@H]1CCOC1 T7262 [0,1,0,0,0,0|2,0,0]=3 93 B7R1.1 NNC1CCCC1 C22580 [0,1,0,0,0,0|1,0,0]=2 94 B7R1.1 O=CC1=CCCC1 C69466 [0,1,0,0,0,0|0,1,2]=4 95 B7R1.1 O=CC1CCCC1 C25963 [0,1,0,0,0,0|0,1,0]=2 96 B7R1.1 OCC1CC=CC1 C11867 [0,1,0,0,0,0|0,1,2]=4 97 B7R1.1 OCC1CCCC1 C23297 [0,1,0,0,0,0|0,1,0]=2 98 B7R1.1 OCC1OCCO1 D40256 [0,1,0,0,0,0|2,1,0]=4 99 B7R1.1 OC[C@@H]1CCCN1 P1125 [0,1,0,0,0,0|1,1,0]=3 100 B7R1.1 OC[C@@H]1CCCN1 P1542 [0,1,0,0,0,0|1,1,0]=3 101 B7R1.1 OC[C@@H]1CCCO1 T40383 [0,1,0,0,0,0|1,1,0]=3 102 B7R1.1 OC[C@@H]1CCNC1 H11286 [0,1,0,0,0,0|1,1,0]=3 103 B7R1.1 OC[C@@H]1CCNC1 P1348 [0,1,0,0,0,0|1,1,0]=3 104 B7R1.1 OC[C@@H]1CCOC1 T0397 [0,1,0,0,0,0|1,1,0]=3 105 B7R1.1 OC[C@H]1CCCN1 P14128 [0,1,0,0,0,0|1,1,0]=3 106 B7R1.1 OC[C@H]1CCCN1 P67898 [0,1,0,0,0,0|1,1,0]=3 107 B7R1.1 OC[C@H]1CCCO1 T67581 [0,1,0,0,0,0|1,1,0]=3 108 B7R1.1 OC[C@H]1CCCO1 T68627 [0,1,0,0,0,0|1,1,0]=3 109 B7R1.1 OC[C@H]1CCNC1 H1594 [0,1,0,0,0,0|1,1,0]=3 110 B7R1.1 OC[C@H]1CCNC1 H7915 [0,1,0,0,0,0|1,1,0]=3 111 B7R1.1 OC[C@H]1CCNC1 P1155 [0,1,0,0,0,0|1,1,0]=3 112 B7R1.1 OC[C@H]1CCNC1 P41328 [0,1,0,0,0,0|1,1,0]=3 113 B7R1.1 OC[C@H]1CCNC1 P6954 [0,1,0,0,0,0|1,1,0]=3 114 B7R1.1 OC[C@H]1CCOC1 T0396 [0,1,0,0,0,0|1,1,0]=3 115 B7R1.1 OC[C@H]1CCOC1 T0398 [0,1,0,0,0,0|1,1,0]=3 116 B7R1.2 CN1CCC(=O)C1 M5444 [0,1,0,0,0,0|1,1,1]=4 117 B7R1.2 CN1CC[C@@H](N)C1 M0134 [0,1,0,0,0,0|2,0,0]=3 118 B7R1.2 CN1CC[C@@H](O)C1 H0285 [0,1,0,0,0,0|1,1,0]=3 119 B7R1.2 CN1CC[C@H](N)C1 M0133 [0,1,0,0,0,0|2,0,0]=3 120 B7R1.2 CN1CC[C@H](N)C1 M0135 [0,1,0,0,0,0|2,0,0]=3 121 B7R1.2 CN1CC[C@H](O)C1 H0283 [0,1,0,0,0,0|1,1,0]=3 122 B7R1.2 CN1CC[C@H](O)C1 H0284 [0,1,0,0,0,0|1,1,0]=3 123 B7R1.2 C[C@@H]1CC[C@@H](C)N1 D60301 [0,1,0,0,0,0|2,0,0]=3 124 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [0,1,0,0,0,0|1,1,1]=4 125 B7R1.2 C[C@@H]1C[C@H](O)CN1 M29502 [0,1,0,0,0,0|1,1,0]=3 126 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [0,1,0,0,0,0|1,1,1]=4 127 B7R1.2 C[C@H]1C[C@H](O)CN1 M29501 [0,1,0,0,0,0|1,1,0]=3 128 B7R1.2 NC1CCC(O)C1 A1764 [0,1,0,0,0,0|0,1,0]=2 129 B7R1.2 N[C@@H]1CC[C@@H](O)C1 A27718 [0,1,0,0,0,0|0,1,0]=2 130 B7R1.2 N[C@@H]1CC[C@H](O)C1 A11831 [0,1,0,0,0,0|0,1,0]=2 131 B7R1.2 N[C@@H]1CC[C@H](O)C1 A18160 [0,1,0,0,0,0|0,1,0]=2 132 B7R1.2 N[C@@H]1CNC(=O)C1 A11620 [0,1,0,0,0,0|1,1,1]=4 133 B7R1.2 N[C@@H]1CNC(=O)C1 A20556 [0,1,0,0,0,0|1,1,1]=4 134 B7R1.2 N[C@@H]1CNC(=O)C1 A24834 [0,1,0,0,0,0|1,1,1]=4 135 B7R1.2 N[C@@H]1CNC(=O)C1 P21713 [0,1,0,0,0,0|1,1,1]=4 136 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [0,1,0,0,0,0|1,1,1]=4 137 B7R1.2 N[C@H]1CC[C@@H](F)C1 F60334 [0,1,0,0,0,0|1,0,0]=2 138 B7R1.2 N[C@H]1CC[C@@H](N)C1 C41386 [0,1,0,0,0,0|1,0,0]=2 139 B7R1.2 N[C@H]1CC[C@@H](O)C1 A18401 [0,1,0,0,0,0|0,1,0]=2 140 B7R1.2 N[C@H]1CC[C@H](N)C1 C41388 [0,1,0,0,0,0|1,0,0]=2 141 B7R1.2 N[C@H]1CC[C@H](O)C1 A11832 [0,1,0,0,0,0|0,1,0]=2 142 B7R1.2 N[C@H]1CC[C@H](O)C1 A20210 [0,1,0,0,0,0|0,1,0]=2 143 B7R1.2 N[C@H]1CNC(=O)C1 A27147 [0,1,0,0,0,0|1,1,1]=4 144 B7R1.2 N[C@H]1COC(=O)C1 A37707 [0,1,0,0,0,0|1,1,1]=4 145 B7R1.2 O=C1CCC(=O)C1 C13761 [0,1,0,0,0,0|0,1,2]=4 146 B7R1.2 O=C1CC[C@H](O)C1 H22750 [0,1,0,0,0,0|0,1,1]=3 147 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [0,1,0,0,0,0|1,1,1]=4 148 B7R1.2 O=C1C[C@@H](S)CN1 M12154 [0,1,0,0,0,0|1,0,1]=3 149 B7R1.2 O=C1C[C@H](O)CN1 H15629 [0,1,0,0,0,0|1,1,1]=4 150 B7R1.2 O=C1C[C@H](O)CN1 H38056 [0,1,0,0,0,0|1,1,1]=4 151 B7R1.2 OC1CCC(O)C1 C24450 [0,1,0,0,0,0|0,1,0]=2 152 B7R1.2 O[C@@H]1CC[C@@H](O)C1 C20800 [0,1,0,0,0,0|0,1,0]=2 153 B7R1.2 O[C@H]1CC[C@@H](O)C1 C20799 [0,1,0,0,0,0|0,1,0]=2 154 B7R1.4 BrC1=C(Br)CCC1 D68539 [0,1,0,0,0,0|1,0,2]=4 155 B7R1.4 CN1CCCC1=S M6872 [0,1,0,0,0,0|1,0,2]=4 156 B7R1.4 C[C@@H]1CNC[C@@H]1O M22730 [0,1,0,0,0,0|1,1,0]=3 157 B7R1.4 C[C@@H]1COC[C@H]1N F30099 [0,1,0,0,0,0|2,0,0]=3 158 B7R1.4 C[C@@H]1OCCC1=O M41223 [0,1,0,0,0,0|1,1,1]=4 159 B7R1.4 C[C@H]1CCCC1=O M41458 [0,1,0,0,0,0|0,1,1]=3 160 B7R1.4 C[C@H]1CCNC1=O M41257 [0,1,0,0,0,0|1,1,1]=4 161 B7R1.4 C[C@H]1CCOC1=O M41224 [0,1,0,0,0,0|1,1,1]=4 162 B7R1.4 F[C@@H]1CNC[C@H]1F D59711 [0,1,0,0,0,0|2,0,0]=3 163 B7R1.4 F[C@H]1CNC[C@@H]1F D25918 [0,1,0,0,0,0|2,0,0]=3 164 B7R1.4 F[C@H]1CNC[C@H]1F D11635 [0,1,0,0,0,0|2,0,0]=3 165 B7R1.4 NC1CCCC1O A40401 [0,1,0,0,0,0|0,1,0]=2 166 B7R1.4 NC1COCC1O A32163 [0,1,0,0,0,0|1,1,0]=3 167 B7R1.4 NN1CCCC1=O A22230 [0,1,0,0,0,0|1,1,1]=4 168 B7R1.4 N[C@@H]1CCC[C@@H]1O A67556 [0,1,0,0,0,0|0,1,0]=2 169 B7R1.4 N[C@@H]1CCC[C@H]1F F59997 [0,1,0,0,0,0|1,0,0]=2 170 B7R1.4 N[C@@H]1CCC[C@H]1N C41387 [0,1,0,0,0,0|1,0,0]=2 171 B7R1.4 N[C@@H]1CCC[C@H]1O A27146 [0,1,0,0,0,0|0,1,0]=2 172 B7R1.4 N[C@@H]1CCC[C@H]1O A40405 [0,1,0,0,0,0|0,1,0]=2 173 B7R1.4 N[C@@H]1CCC[C@H]1O A41326 [0,1,0,0,0,0|0,1,0]=2 174 B7R1.4 N[C@@H]1CCNC1=O A40242 [0,1,0,0,0,0|1,1,1]=4 175 B7R1.4 N[C@@H]1CCNC1=O A62971 [0,1,0,0,0,0|1,1,1]=4 176 B7R1.4 N[C@@H]1CCOC1=O H68344 [0,1,0,0,0,0|1,1,1]=4 177 B7R1.4 N[C@@H]1CNC[C@H]1F F63102 [0,1,0,0,0,0|2,0,0]=3 178 B7R1.4 N[C@@H]1COC[C@@H]1N T10671 [0,1,0,0,0,0|2,0,0]=3 179 B7R1.4 N[C@@H]1COC[C@@H]1N X29480 [0,1,0,0,0,0|2,0,0]=3 180 B7R1.4 N[C@@H]1COC[C@H]1N T10670 [0,1,0,0,0,0|2,0,0]=3 181 B7R1.4 N[C@@H]1COC[C@H]1O A13516 [0,1,0,0,0,0|1,1,0]=3 182 B7R1.4 N[C@@H]1COC[C@H]1O A20318 [0,1,0,0,0,0|1,1,0]=3 183 B7R1.4 N[C@@H]1COC[C@H]1O A40351 [0,1,0,0,0,0|1,1,0]=3 184 B7R1.4 N[C@H]1CCC[C@@H]1O A24888 [0,1,0,0,0,0|0,1,0]=2 185 B7R1.4 N[C@H]1CCC[C@H]1O A41327 [0,1,0,0,0,0|0,1,0]=2 186 B7R1.4 N[C@H]1CCNC1=O A24294 [0,1,0,0,0,0|1,1,1]=4 187 B7R1.4 N[C@H]1CCOC1=O A40300 [0,1,0,0,0,0|1,1,1]=4 188 B7R1.4 N[C@H]1CCOC1=O A40335 [0,1,0,0,0,0|1,1,1]=4 189 B7R1.4 N[C@H]1COC[C@@H]1N T10669 [0,1,0,0,0,0|2,0,0]=3 190 B7R1.4 N[C@H]1COC[C@@H]1N T10672 [0,1,0,0,0,0|2,0,0]=3 191 B7R1.4 N[C@H]1COC[C@@H]1O A13517 [0,1,0,0,0,0|1,1,0]=3 192 B7R1.4 O=C1NCC[C@@H]1O H20173 [0,1,0,0,0,0|1,1,1]=4 193 B7R1.4 O=C1NCC[C@@H]1O H37914 [0,1,0,0,0,0|1,1,1]=4 194 B7R1.4 O=C1NCC[C@H]1O H40227 [0,1,0,0,0,0|1,1,1]=4 195 B7R1.4 O=C1OCC[C@@H]1Br B31114 [0,1,0,0,0,0|1,1,1]=4 196 B7R1.4 O[C@@H]1CCC[C@H]1O C67710 [0,1,0,0,0,0|0,1,0]=2 197 B7R1.4 O[C@@H]1CNC[C@@H]1F F59931 [0,1,0,0,0,0|1,1,0]=3 198 B7R1.4 O[C@@H]1CNC[C@H]1F F11643 [0,1,0,0,0,0|1,1,0]=3 199 B7R1.4 O[C@@H]1CNC[C@H]1F F20203 [0,1,0,0,0,0|1,1,0]=3 200 B7R1.4 O[C@@H]1CNC[C@H]1O P11870 [0,1,0,0,0,0|1,1,0]=3 201 B7R1.4 O[C@H]1CNC[C@@H]1O D11637 [0,1,0,0,0,0|1,1,0]=3 202 B7R1.4 O[C@H]1CNC[C@@H]1O P11869 [0,1,0,0,0,0|1,1,0]=3 203 B7R1.4 O[C@H]1CNC[C@@H]1O P31835 [0,1,0,0,0,0|1,1,0]=3 204 B7R1.4 O[C@H]1CNC[C@H]1O D11638 [0,1,0,0,0,0|1,1,0]=3 205 B7R1.4 O[C@H]1COC[C@H]1O A10821 [0,1,0,0,0,0|1,1,0]=3 206 B7R1.14 CC1(C)CCCN1 D24602 [0,1,0,0,0,0|2,0,0]=3 207 B7R1.14 CC1(C)CCNC1 D1149 [0,1,0,0,0,0|2,0,0]=3 208 B7R1.14 CC1(O)CCCC1 M41551 [0,1,0,0,0,0|0,1,0]=2 209 B7R1.14 C[C@@]1(O)CCNC1 M23456 [0,1,0,0,0,0|1,1,0]=3 210 B7R1.14 C[C@]1(F)CCNC1 F29656 [0,1,0,0,0,0|2,0,0]=3 211 B7R1.14 C[C@]1(N)CCOC1 A11772 [0,1,0,0,0,0|2,0,0]=3 212 B7R1.14 C[C@]1(O)CCNC1 H0280 [0,1,0,0,0,0|1,1,0]=3 213 B7R1.14 C[C@]1(O)CCNC1 M10113 [0,1,0,0,0,0|1,1,0]=3 214 B7R1.14 C[C@]1(O)CCNC1 M18574 [0,1,0,0,0,0|1,1,0]=3 215 B7R1.14 C[C@]1(O)CCNC1 M59983 [0,1,0,0,0,0|1,1,0]=3 216 B7R1.14 FC1(F)CCNC1 D5712 [0,1,0,0,0,0|2,0,0]=3 217 B7R1.14 O=S1(=O)CCCN1 P12719 [0,1,0,0,0,0|2,1,0]=4 218 B7R1.14 O=S1(=O)CCCO1 X68360 [0,1,0,0,0,0|2,1,0]=4 219 B5R0.1 C=C(C)OCC E5573 [0,0,1,0,0,0|2,0,1]=4 220 B5R0.1 C=CC[C@H](C)O P62507 [0,0,1,0,0,0|0,1,2]=4 221 B5R0.1 CC#C[C@H](C)O B1790 [0,0,1,0,0,0|0,1,2]=4 222 B5R0.1 CC(=O)CCCl C69539 [0,0,1,0,0,0|1,1,1]=4 223 B5R0.1 CC(C)CNN B40316 [0,0,1,0,0,0|3,0,0]=4 224 B5R0.1 CCCB(O)O P5056 [0,0,1,0,0,0|2,1,0]=4 225 B5R0.1 CCC[C@@H](C)N P16023 [0,0,1,0,0,0|1,0,0]=2 226 B5R0.1 CCC[C@H](C)N P22363 [0,0,1,0,0,0|1,0,0]=2 227 B5R0.1 CCOC(C)=N E68065 [0,0,1,0,0,0|2,0,1]=4 228 B5R0.1 CN(C)CCBr B39953 [0,0,1,0,0,0|3,0,0]=4 229 B5R0.1 COC[C@@H](C)N M40311 [0,0,1,0,0,0|2,0,0]=3 230 B5R0.1 COC[C@@H](C)O M39959 [0,0,1,0,0,0|1,1,0]=3 231 B5R0.1 COC[C@H](C)O M61064 [0,0,1,0,0,0|1,1,0]=3 232 B5R0.1 C[C@@H](N)CCO A10772 [0,0,1,0,0,0|2,0,0]=3 233 B5R0.1 C[C@H](N)CCO A10771 [0,0,1,0,0,0|2,0,0]=3 234 B5R0.1 C[C@H](N)CCO A39964 [0,0,1,0,0,0|2,0,0]=3 235 B5R0.1 C[C@H](O)CCO B68917 [0,0,1,0,0,0|1,1,0]=3 236 B5R0.1 OCCC(F)F D60407 [0,0,1,0,0,0|3,0,0]=4 237 B5R0.2 BrCCCCBr D69410 [0,0,1,0,0,0|2,0,0]=3 238 B5R0.2 C#CCCCCl C68183 [0,0,1,0,0,0|1,0,2]=4 239 B5R0.2 C#CCCCI I8474 [0,0,1,0,0,0|1,0,2]=4 240 B5R0.2 C#CCCCN P41368 [0,0,1,0,0,0|1,0,2]=4 241 B5R0.2 C#CCCCO P68382 [0,0,1,0,0,0|0,1,2]=4 242 B5R0.2 C=CCCCBr B41237 [0,0,1,0,0,0|1,0,2]=4 243 B5R0.2 C=CCCCCl C41238 [0,0,1,0,0,0|1,0,2]=4 244 B5R0.2 C=CCCCO P36921 [0,0,1,0,0,0|0,1,2]=4 245 B5R0.2 CCCCON B40310 [0,0,1,0,0,0|2,0,0]=3 246 B5R0.2 CNCCCCl C39954 [0,0,1,0,0,0|2,0,0]=3 247 B5R0.2 CNCCCO M36844 [0,0,1,0,0,0|1,1,0]=3 248 B5R0.2 CNCCOC M23409 [0,0,1,0,0,0|3,0,0]=4 249 B5R0.2 COCCC#N M39153 [0,0,1,0,0,0|2,0,1]=4 250 B5R0.2 COCCCBr B68335 [0,0,1,0,0,0|2,0,0]=3 251 B5R0.2 COCCCO M69411 [0,0,1,0,0,0|1,1,0]=3 252 B5R0.2 ClCCCCI C40239 [0,0,1,0,0,0|2,0,0]=3 253 B5R0.2 ICCCCI D37834 [0,0,1,0,0,0|2,0,0]=3 254 B5R0.2 N#CCCCBr B67593 [0,0,1,0,0,0|2,0,1]=4 255 B5R0.2 N#CCCCCl C64907 [0,0,1,0,0,0|2,0,1]=4 256 B5R0.2 NCCCCBr B39952 [0,0,1,0,0,0|2,0,0]=3 257 B5R0.2 NCCCCN D39162 [0,0,1,0,0,0|2,0,0]=3 258 B5R0.2 OCCCCBr B67330 [0,0,1,0,0,0|1,1,0]=3 259 B5R0.3 CC(CBr)CBr D40238 [0,0,1,0,0,0|3,0,0]=4 260 B5R0.3 CC(CO)CO M60880 [0,0,1,0,0,0|3,0,0]=4 261 B5R0.3 CCC(=O)CN A32390 [0,0,1,0,0,0|1,1,1]=4 262 B5R0.3 CCC(=O)CO H36713 [0,0,1,0,0,0|1,1,1]=4 263 B5R0.3 CCC(N)CC P40440 [0,0,1,0,0,0|1,0,0]=2 264 B5R0.3 CC[C@@H](N)CO A39144 [0,0,1,0,0,0|2,0,0]=3 265 B5R0.3 CC[C@@H](O)CO B39955 [0,0,1,0,0,0|1,1,0]=3 266 B5R0.3 CC[C@H](N)CO A39145 [0,0,1,0,0,0|2,0,0]=3 267 B5R0.3 CC[C@H](O)CO B39956 [0,0,1,0,0,0|1,1,0]=3 268 B5R0.3 CO[C@@H](C)CN M40313 [0,0,1,0,0,0|3,0,0]=4 269 B5R0.3 CO[C@@H](C)CO M68380 [0,0,1,0,0,0|3,0,0]=4 270 B5R0.3 CO[C@H](C)CN M40312 [0,0,1,0,0,0|3,0,0]=4 271 B5R0.3 CO[C@H](C)CO M68381 [0,0,1,0,0,0|3,0,0]=4 272 B5R0.3 NCC(O)CN D38498 [0,0,1,0,0,0|2,1,0]=4 273 B5R0.3 NC[C@@H](O)CCl A39888 [0,0,1,0,0,0|2,1,0]=4 274 B5R0.3 NC[C@@H](O)CO A67523 [0,0,1,0,0,0|2,1,0]=4 275 B5R0.3 NC[C@H](Br)CBr D9273 [0,0,1,0,0,0|3,0,0]=4 276 B5R0.3 NC[C@H](O)CCl A36622 [0,0,1,0,0,0|2,1,0]=4 277 B5R0.3 NC[C@H](O)CCl A39887 [0,0,1,0,0,0|2,1,0]=4 278 B5R0.3 NC[C@H](O)CF A28629 [0,0,1,0,0,0|2,1,0]=4 279 B5R0.3 NC[C@H](O)CO A38562 [0,0,1,0,0,0|2,1,0]=4 280 B5R0.3 NC[C@H](O)CO A67451 [0,0,1,0,0,0|2,1,0]=4 281 B5R0.3 OC[C@@H](O)CCl C69122 [0,0,1,0,0,0|2,1,0]=4 282 B5R0.3 OC[C@@H](O)CF F60905 [0,0,1,0,0,0|2,1,0]=4 283 B5R0.3 OC[C@H](O)CCl C68371 [0,0,1,0,0,0|2,1,0]=4 284 B5R0.3 OC[C@H](O)CF F60904 [0,0,1,0,0,0|2,1,0]=4 285 B7R2.11 C1CN2CN1C2 D40240 [0,0,0,1,0,0|3,0,0]=4 286 B7R2.11 C1NC2CC1C2 A10797 [0,0,0,1,0,0|2,0,0]=3 287 B7R2.11 C1NC2CC1C2 A6593 [0,0,0,1,0,0|2,0,0]=3 288 B7R2.13 C1CC2CC2N1 A13958 [0,0,0,1,0,0|2,0,0]=3 289 B7R2.13 C1CC2CC2N1 A25593 [0,0,0,1,0,0|2,0,0]=3 290 B7R2.13 C1NCC2CC12 A13737 [0,0,0,1,0,0|2,0,0]=3 291 B7R2.13 C1NCC2CC12 A1579 [0,0,0,1,0,0|2,0,0]=3 292 B7R2.13 C1OCC2OC12 E12004 [0,0,0,1,0,0|1,1,0]=3 293 B5R1.2 BrC1CCC1 B23687 [0,0,0,0,1,0|1,0,0]=2 294 B5R1.2 BrC1CNC1 B13326 [0,0,0,0,1,0|2,0,0]=3 295 B5R1.2 BrC1COC1 B5688 [0,0,0,0,1,0|2,0,0]=3 296 B5R1.2 CC1CNC1 M1321 [0,0,0,0,1,0|2,0,0]=3 297 B5R1.2 C[C@H]1CCN1 M29512 [0,0,0,0,1,0|2,0,0]=3 298 B5R1.2 ClC1CNC1 C1323 [0,0,0,0,1,0|2,0,0]=3 299 B5R1.2 ClC1COC1 C8470 [0,0,0,0,1,0|2,0,0]=3 300 B5R1.2 FC1CNC1 F5255 [0,0,0,0,1,0|2,0,0]=3 301 B5R1.2 IC1CCC1 I23424 [0,0,0,0,1,0|1,0,0]=2 302 B5R1.2 IC1CNC1 I13327 [0,0,0,0,1,0|2,0,0]=3 303 B5R1.2 IC1COC1 I5689 [0,0,0,0,1,0|2,0,0]=3 304 B5R1.2 NC1CCC1 C60561 [0,0,0,0,1,0|1,0,0]=2 305 B5R1.2 NC1CNC1 A5482 [0,0,0,0,1,0|2,0,0]=3 306 B5R1.2 NC1COC1 O5613 [0,0,0,0,1,0|2,0,0]=3 307 B5R1.2 NC1CSC1 T6025 [0,0,0,0,1,0|2,0,0]=3 308 B5R1.2 O=C1CCC1 C8674 [0,0,0,0,1,0|0,1,1]=3 309 B5R1.2 O=C1CNC1 A1318 [0,0,0,0,1,0|1,1,1]=4 310 B5R1.2 O=C1COC1 O4015 [0,0,0,0,1,0|1,1,1]=4 311 B5R1.2 O=C1CSC1 T6026 [0,0,0,0,1,0|1,1,1]=4 312 B5R1.2 OC1CNC1 H2864 [0,0,0,0,1,0|1,1,0]=3 313 B5R1.2 OC1COC1 O5686 [0,0,0,0,1,0|1,1,0]=3 314 B5R1.2 SC1CNC1 A11453 [0,0,0,0,1,0|1,0,0]=2 315 B5R1.2 SC1COC1 O8471 [0,0,0,0,1,0|1,0,0]=2 316 B5R1.2 [Mg+]C1CCC1 P5028 [0,0,0,0,1,0|1,0,0]=2 317 B7R1.3 BrC1CCCCC1 B69054 [0,0,0,0,0,1|1,0,0]=2 318 B7R1.3 BrC1CCNCC1 B40375 [0,0,0,0,0,1|1,0,0]=2 319 B7R1.3 BrC1CCOCC1 B1507 [0,0,0,0,0,1|1,0,0]=2 320 B7R1.3 BrC1CCSCC1 B31817 [0,0,0,0,0,1|1,0,0]=2 321 B7R1.3 C=C1CCNCC1 M19855 [0,0,0,0,0,1|1,0,1]=3 322 B7R1.3 C=C1CCOCC1 M23324 [0,0,0,0,0,1|1,0,1]=3 323 B7R1.3 CC1=CCCNC1 M12102 [0,0,0,0,0,1|1,0,2]=4 324 B7R1.3 CC1=CCNCC1 M26826 [0,0,0,0,0,1|1,0,2]=4 325 B7R1.3 CC1SCCCS1 M63108 [0,0,0,0,0,1|2,0,0]=3 326 B7R1.3 CN1CCNCC1 M13367 [0,0,0,0,0,1|2,0,0]=3 327 B7R1.3 C[C@@H]1CCCNC1 M43474 [0,0,0,0,0,1|1,0,0]=2 328 B7R1.3 C[C@@H]1CNCCN1 M10716 [0,0,0,0,0,1|2,0,0]=3 329 B7R1.3 C[C@@H]1CNCCO1 M15403 [0,0,0,0,0,1|2,0,0]=3 330 B7R1.3 C[C@@H]1CNCCO1 M28760 [0,0,0,0,0,1|2,0,0]=3 331 B7R1.3 C[C@@H]1COCCN1 M26868 [0,0,0,0,0,1|2,0,0]=3 332 B7R1.3 C[C@@H]1COCCN1 M9009 [0,0,0,0,0,1|2,0,0]=3 333 B7R1.3 C[C@H]1CCCCN1 M43475 [0,0,0,0,0,1|1,0,0]=2 334 B7R1.3 C[C@H]1CNCCN1 M10717 [0,0,0,0,0,1|2,0,0]=3 335 B7R1.3 C[C@H]1CNCCO1 M15401 [0,0,0,0,0,1|2,0,0]=3 336 B7R1.3 C[C@H]1CNCCO1 M15402 [0,0,0,0,0,1|2,0,0]=3 337 B7R1.3 C[C@H]1CNCCO1 M29509 [0,0,0,0,0,1|2,0,0]=3 338 B7R1.3 C[C@H]1CNCCO1 M41323 [0,0,0,0,0,1|2,0,0]=3 339 B7R1.3 C[C@H]1COCCN1 M23631 [0,0,0,0,0,1|2,0,0]=3 340 B7R1.3 C[C@H]1COCCN1 M41324 [0,0,0,0,0,1|2,0,0]=3 341 B7R1.3 C[C@H]1COCCN1 M8924 [0,0,0,0,0,1|2,0,0]=3 342 B7R1.3 ClC1CCNCC1 C40376 [0,0,0,0,0,1|1,0,0]=2 343 B7R1.3 ClC1CCOCC1 C4527 [0,0,0,0,0,1|1,0,0]=2 344 B7R1.3 FC1CCNCC1 F6080 [0,0,0,0,0,1|1,0,0]=2 345 B7R1.3 F[C@@H]1CCCNC1 F7495 [0,0,0,0,0,1|1,0,0]=2 346 B7R1.3 F[C@H]1CCCNC1 F1651 [0,0,0,0,0,1|1,0,0]=2 347 B7R1.3 F[C@H]1CCCNC1 F7461 [0,0,0,0,0,1|1,0,0]=2 348 B7R1.3 IC1CCOCC1 I1189 [0,0,0,0,0,1|1,0,0]=2 349 B7R1.3 IC1CCSCC1 I31818 [0,0,0,0,0,1|1,0,0]=2 350 B7R1.3 NC1=NCCCN1 A40341 [0,0,0,0,0,1|2,0,1]=4 351 B7R1.3 NC1CCCCC1 C39283 [0,0,0,0,0,1|1,0,0]=2 352 B7R1.3 NC1CCNCC1 P67610 [0,0,0,0,0,1|1,0,0]=2 353 B7R1.3 NC1CCOCC1 A1504 [0,0,0,0,0,1|1,0,0]=2 354 B7R1.3 NC1CCOCC1 T1169 [0,0,0,0,0,1|1,0,0]=2 355 B7R1.3 NC1CCSCC1 T22381 [0,0,0,0,0,1|1,0,0]=2 356 B7R1.3 NC1CCSCC1 T5312 [0,0,0,0,0,1|1,0,0]=2 357 B7R1.3 NN1CCOCC1 A39946 [0,0,0,0,0,1|2,0,0]=3 358 B7R1.3 N[C@@H]1CCCNC1 A10836 [0,0,0,0,0,1|1,0,0]=2 359 B7R1.3 N[C@@H]1CCCNC1 P32424 [0,0,0,0,0,1|1,0,0]=2 360 B7R1.3 N[C@@H]1CCCOC1 X18615 [0,0,0,0,0,1|1,0,0]=2 361 B7R1.3 N[C@H]1CCCNC1 P41385 [0,0,0,0,0,1|1,0,0]=2 362 B7R1.3 N[C@H]1CCCNC1 P67457 [0,0,0,0,0,1|1,0,0]=2 363 B7R1.3 N[C@H]1CCCOC1 T1132 [0,0,0,0,0,1|1,0,0]=2 364 B7R1.3 N[C@H]1CCCOC1 X17960 [0,0,0,0,0,1|1,0,0]=2 365 B7R1.3 O=C1CCCCN1 P69632 [0,0,0,0,0,1|0,1,1]=3 366 B7R1.3 O=C1CCCNC1 P1523 [0,0,0,0,0,1|0,1,1]=3 367 B7R1.3 O=C1CCCNC1 P31811 [0,0,0,0,0,1|0,1,1]=3 368 B7R1.3 O=C1CCCOC1 T7026 [0,0,0,0,0,1|0,1,1]=3 369 B7R1.3 O=C1CCCSC1 T1776 [0,0,0,0,0,1|0,1,1]=3 370 B7R1.3 O=C1CCNCC1 P23503 [0,0,0,0,0,1|0,1,1]=3 371 B7R1.3 O=C1CCOCC1 T4632 [0,0,0,0,0,1|0,1,1]=3 372 B7R1.3 O=C1CCSCC1 T6200 [0,0,0,0,0,1|0,1,1]=3 373 B7R1.3 O=C1CNCCN1 P10419 [0,0,0,0,0,1|1,1,1]=4 374 B7R1.3 O=C1COCCN1 M7700 [0,0,0,0,0,1|1,1,1]=4 375 B7R1.3 O=C1COCCO1 D38663 [0,0,0,0,0,1|1,1,1]=4 376 B7R1.3 O=C1CSCCN1 T40230 [0,0,0,0,0,1|1,1,1]=4 377 B7R1.3 O=S1CCNCC1 T5787 [0,0,0,0,0,1|1,1,0]=3 378 B7R1.3 OC1CCNCC1 P24137 [0,0,0,0,0,1|0,1,0]=2 379 B7R1.3 OC1CCNCC1 P41321 [0,0,0,0,0,1|0,1,0]=2 380 B7R1.3 OC1CCOCC1 H0389 [0,0,0,0,0,1|0,1,0]=2 381 B7R1.3 OC1CCSCC1 H31816 [0,0,0,0,0,1|0,1,0]=2 382 B7R1.3 OC1COCOC1 D38760 [0,0,0,0,0,1|1,1,0]=3 383 B7R1.3 O[C@@H]1CCCNC1 H12298 [0,0,0,0,0,1|0,1,0]=2 384 B7R1.3 O[C@@H]1CCCNC1 H1652 [0,0,0,0,0,1|0,1,0]=2 385 B7R1.3 O[C@@H]1CCCOC1 T15984 [0,0,0,0,0,1|0,1,0]=2 386 B7R1.3 O[C@@H]1CNCCO1 M40347 [0,0,0,0,0,1|1,1,0]=3 387 B7R1.3 O[C@H]1CCCNC1 H0276 [0,0,0,0,0,1|0,1,0]=2 388 B7R1.3 O[C@H]1CCCNC1 H10264 [0,0,0,0,0,1|0,1,0]=2 389 B7R1.3 O[C@H]1CCCNC1 H10265 [0,0,0,0,0,1|0,1,0]=2 390 B7R1.3 O[C@H]1CCCNC1 H4736 [0,0,0,0,0,1|0,1,0]=2 391 B7R1.3 O[C@H]1CCCOC1 H11398 [0,0,0,0,0,1|0,1,0]=2 392 B7R1.3 O[C@H]1CCCOC1 T25087 [0,0,0,0,0,1|0,1,0]=2 393 B7R1.3 SC1CCNCC1 P11895 [0,0,0,0,0,1|0,0,0]=1 394 B7R1.3 S[C@H]1CCCNC1 P15399 [0,0,0,0,0,1|0,0,0]=1 395 B7R1.3 [Mg+]C1CCCCC1 C31701 [0,0,0,0,0,1|1,0,0]=2 396 B7R1.3 [Mg+]C1CCOCC1 T8353 [0,0,0,0,0,1|1,0,0]=2 397 B7R1.3 [Mg+]C1CCOCC1 T8354 [0,0,0,0,0,1|1,0,0]=2 398 B7R1.3 [Mg+]C1CCSCC1 T31824 [0,0,0,0,0,1|1,0,0]=2 399 B4R0.1 CC[C@H](C)N B62608 [1,0,1,0,0,0|1,0,0]=3 400 B4R0.1 C[C@@H](Cl)CO C39879 [1,0,1,0,0,0|2,0,0]=4 401 B4R0.1 C[C@@H](N)CN D39937 [1,0,1,0,0,0|2,0,0]=4 402 B4R0.1 C[C@@H](N)CO A13415 [1,0,1,0,0,0|2,0,0]=4 403 B4R0.1 C[C@@H](O)CCl C67728 [1,0,1,0,0,0|1,1,0]=4 404 B4R0.1 C[C@@H](O)CN A67482 [1,0,1,0,0,0|1,1,0]=4 405 B4R0.1 C[C@H](Br)CN B39885 [1,0,1,0,0,0|2,0,0]=4 406 B4R0.1 C[C@H](Cl)CO C39880 [1,0,1,0,0,0|2,0,0]=4 407 B4R0.1 C[C@H](N)CF F62811 [1,0,1,0,0,0|2,0,0]=4 408 B4R0.1 C[C@H](N)CN P39936 [1,0,1,0,0,0|2,0,0]=4 409 B4R0.1 C[C@H](N)CO A13416 [1,0,1,0,0,0|2,0,0]=4 410 B4R0.1 C[C@H](N)CO A69136 [1,0,1,0,0,0|2,0,0]=4 411 B4R0.1 C[C@H](O)CN A69178 [1,0,1,0,0,0|1,1,0]=4 412 B4R0.1 C[C@H](O)CO P60705 [1,0,1,0,0,0|1,1,0]=4 413 B4R0.2 BrCCCBr D69412 [1,0,1,0,0,0|2,0,0]=4 414 B4R0.2 CCCNN P39906 [1,0,1,0,0,0|2,0,0]=4 415 B4R0.2 CNCCBr B38473 [1,0,1,0,0,0|2,0,0]=4 416 B4R0.2 CNCCCl C39886 [1,0,1,0,0,0|2,0,0]=4 417 B4R0.2 COCCBr B39138 [1,0,1,0,0,0|2,0,0]=4 418 B4R0.2 COCCI K39881 [1,0,1,0,0,0|2,0,0]=4 419 B4R0.2 CSCCN M62136 [1,0,1,0,0,0|2,0,0]=4 420 B4R0.2 ClCCCI C1367 [1,0,1,0,0,0|2,0,0]=4 421 B4R0.2 ICCCI D39865 [1,0,1,0,0,0|2,0,0]=4 422 B4R0.2 N#CCCS M39860 [1,0,1,0,0,0|1,0,1]=4 423 B4R0.2 NCCCCl C37835 [1,0,1,0,0,0|2,0,0]=4 424 B4R0.2 NCCCO A69322 [1,0,1,0,0,0|1,1,0]=4 425 B4R0.2 OCCCBr B39137 [1,0,1,0,0,0|1,1,0]=4 426 B4R0.2 OCCCO P69117 [1,0,1,0,0,0|1,1,0]=4 427 B6R0.1 CCC[C@@H](Cl)CC C63946 [0,1,1,0,0,0|1,0,0]=3 428 B6R0.1 CCC[C@H](N)CO A40443 [0,1,1,0,0,0|1,0,0]=3 429 B6R0.1 CCC[C@H](N)CO A66421 [0,1,1,0,0,0|1,0,0]=3 430 B6R0.1 CNC[C@H](O)CO M37886 [0,1,1,0,0,0|1,1,0]=4 431 B6R0.1 CO[C@@H](C)CCO M68623 [0,1,1,0,0,0|1,1,0]=4 432 B6R0.2 CC(C)C[C@H](C)N M43511 [0,1,1,0,0,0|1,0,0]=3 433 B6R0.2 CC(C)NC(C)C D64760 [0,1,1,0,0,0|2,0,0]=4 434 B6R0.2 C[C@@H](O)C[C@@H](C)O P40432 [0,1,1,0,0,0|0,1,0]=3 435 B6R0.2 C[C@H](O)C[C@H](C)O P40433 [0,1,1,0,0,0|0,1,0]=3 436 B6R0.3 CC(C)[C@@H](N)CO V15808 [0,1,1,0,0,0|2,0,0]=4 437 B6R0.3 CC(C)[C@H](N)CO V40442 [0,1,1,0,0,0|2,0,0]=4 438 B6R0.3 C[C@@H](O)[C@H](N)CO A68622 [0,1,1,0,0,0|1,1,0]=4 439 B6R0.3 C[C@H](O)[C@@H](N)CO T39965 [0,1,1,0,0,0|1,1,0]=4 440 B6R0.4 CC(=O)CCCCl C68599 [0,1,1,0,0,0|0,1,1]=4 441 B6R0.4 CC(C)CCCO M67872 [0,1,1,0,0,0|1,0,0]=3 442 B6R0.4 CC(C)NCCCl C40431 [0,1,1,0,0,0|2,0,0]=4 443 B6R0.4 CC(C)OCCBr B69154 [0,1,1,0,0,0|2,0,0]=4 444 B6R0.4 CN(C)CCCBr B40430 [0,1,1,0,0,0|2,0,0]=4 445 B6R0.4 CN(C)CCCCl C69241 [0,1,1,0,0,0|2,0,0]=4 446 B6R0.4 CNCCN(C)C T41392 [0,1,1,0,0,0|2,0,0]=4 447 B6R0.5 CC(C)(C)CCBr B41571 [0,1,1,0,0,0|2,0,0]=4 448 B6R0.5 CC(C)(F)CCN F62077 [0,1,1,0,0,0|2,0,0]=4 449 B6R0.5 CC(C)(N)CCN M37075 [0,1,1,0,0,0|2,0,0]=4 450 B6R0.5 CC(C)(N)CCO A40444 [0,1,1,0,0,0|2,0,0]=4 451 B6R0.5 CC(C)(O)CCN A61563 [0,1,1,0,0,0|1,1,0]=4 452 B6R0.5 CCC[N+](C)(C)C T43586 [0,1,1,0,0,0|2,0,0]=4 453 B6R0.5 CNCC(C)(C)O M40445 [0,1,1,0,0,0|1,1,0]=4 454 B6R0.5 COCC(C)(C)O M40434 [0,1,1,0,0,0|1,1,0]=4 455 B6R0.6 BrCCNCCBr B28721 [0,1,1,0,0,0|2,0,0]=4 456 B6R0.6 C#CCCCCI K43321 [0,1,1,0,0,0|1,0,1]=4 457 B6R0.6 C#CCCCCO H41456 [0,1,1,0,0,0|0,1,1]=4 458 B6R0.6 C=CCCCCBr B9212 [0,1,1,0,0,0|1,0,1]=4 459 B6R0.6 C=CCCCCO H41549 [0,1,1,0,0,0|0,1,1]=4 460 B6R0.6 C=CCCCC[Mg+] H5025 [0,1,1,0,0,0|1,0,1]=4 461 B6R0.6 CC=CCCCO H41548 [0,1,1,0,0,0|0,1,1]=4 462 B6R0.6 CCCCCC[Mg+] H31703 [0,1,1,0,0,0|1,0,0]=3 463 B6R0.6 CCCCCNC M41618 [0,1,1,0,0,0|1,0,0]=3 464 B6R0.6 CCCCN=[N+]=[N-] A1814 [0,1,1,0,0,0|2,0,0]=4 465 B6R0.6 CCC\C=C\CO H41550 [0,1,1,0,0,0|0,1,1]=4 466 B6R0.6 CCOCCC#N E41255 [0,1,1,0,0,0|1,0,1]=4 467 B6R0.6 CNCCCCBr B40429 [0,1,1,0,0,0|1,0,0]=3 468 B6R0.6 CNCCCCO M38840 [0,1,1,0,0,0|0,1,0]=3 469 B6R0.6 COCCCCBr B40422 [0,1,1,0,0,0|1,0,0]=3 470 B6R0.6 ClCCCCCBr B39164 [0,1,1,0,0,0|1,0,0]=3 471 B6R0.6 ClCCNCCCl B69332 [0,1,1,0,0,0|2,0,0]=4 472 B6R0.6 FCCCCCBr B37978 [0,1,1,0,0,0|1,0,0]=3 473 B6R0.6 ICCCCCI D24633 [0,1,1,0,0,0|1,0,0]=3 474 B6R0.6 N#CCCCCBr B41217 [0,1,1,0,0,0|1,0,1]=4 475 B6R0.6 N#CCCCCCl C69554 [0,1,1,0,0,0|1,0,1]=4 476 B6R0.6 N#CCCCCN A6983 [0,1,1,0,0,0|1,0,1]=4 477 B6R0.6 NCCNCCO A68374 [0,1,1,0,0,0|1,1,0]=4 478 B6R0.6 NCCOCCN X39968 [0,1,1,0,0,0|2,0,0]=4 479 B6R0.6 NCCOCCN X40357 [0,1,1,0,0,0|2,0,0]=4 480 B6R0.6 O=CCCCCCl C41277 [0,1,1,0,0,0|0,1,1]=4 481 B6R0.6 O=CCCCCO H32202 [0,1,1,0,0,0|0,1,1]=4 482 B6R0.6 OCCOCCCl C60784 [0,1,1,0,0,0|1,1,0]=4 483 B6R0.6 OCCOCCO D43939 [0,1,1,0,0,0|1,1,0]=4 484 B6R0.9 CCC(CC)C[Mg+] E31704 [0,1,1,0,0,0|1,0,0]=3 485 B6R0.9 CCN(C=O)CC D68184 [0,1,1,0,0,0|1,1,0]=4 486 B6R1.4 CC1NCC1F F21597 [0,1,0,0,1,0|2,0,0]=4 487 B6R1.4 C[C@@H]1NC[C@@H]1O M60046 [0,1,0,0,1,0|1,1,0]=4 488 B6R1.5 CC1CC(=O)C1 M17286 [0,1,0,0,1,0|0,1,1]=4 489 B6R1.5 CC1CC(N)C1 M41317 [0,1,0,0,1,0|1,0,0]=3 490 B6R1.5 CN1CC(N)C1 M0108 [0,1,0,0,1,0|2,0,0]=4 491 B6R1.5 CN1CC(O)C1 H0109 [0,1,0,0,1,0|1,1,0]=4 492 B6R1.5 NC1CC(=O)C1 A0660 [0,1,0,0,1,0|0,1,1]=4 493 B6R1.5 NC1CC(F)C1 F0321 [0,1,0,0,1,0|1,0,0]=3 494 B6R1.5 NC1CC(N)C1 C11439 [0,1,0,0,1,0|1,0,0]=3 495 B6R1.5 NC1CC(O)C1 A0319 [0,1,0,0,1,0|0,1,0]=3 496 B6R1.5 NC1CC(O)C1 A23779 [0,1,0,0,1,0|0,1,0]=3 497 B6R1.5 N[C@H]1C[C@@H](F)C1 F11662 [0,1,0,0,1,0|1,0,0]=3 498 B6R1.5 N[C@H]1C[C@@H](N)C1 C11440 [0,1,0,0,1,0|1,0,0]=3 499 B6R1.5 N[C@H]1C[C@@H](N)C1 C14367 [0,1,0,0,1,0|1,0,0]=3 500 B6R1.5 N[C@H]1C[C@@H](O)C1 A0711 [0,1,0,0,1,0|0,1,0]=3 501 B6R1.5 N[C@H]1C[C@@H](O)C1 A15550 [0,1,0,0,1,0|0,1,0]=3 502 B6R1.5 N[C@H]1C[C@H](F)C1 F11661 [0,1,0,0,1,0|1,0,0]=3 503 B6R1.5 N[C@H]1C[C@H](F)C1 F14834 [0,1,0,0,1,0|1,0,0]=3 504 B6R1.5 N[C@H]1C[C@H](N)C1 C11441 [0,1,0,0,1,0|1,0,0]=3 505 B6R1.5 N[C@H]1C[C@H](N)C1 C11442 [0,1,0,0,1,0|1,0,0]=3 506 B6R1.5 N[C@H]1C[C@H](O)C1 A0712 [0,1,0,0,1,0|0,1,0]=3 507 B6R1.5 N[C@H]1C[C@H](O)C1 SB8170 [0,1,0,0,1,0|0,1,0]=3 508 B6R1.5 O=C1CC(Br)C1 B8012 [0,1,0,0,1,0|0,1,1]=4 509 B6R1.5 O=C1CC(F)C1 F13109 [0,1,0,0,1,0|0,1,1]=4 510 B6R1.5 O=C1CC(O)C1 H10121 [0,1,0,0,1,0|0,1,1]=4 511 B6R1.5 OC1CC(F)C1 F13605 [0,1,0,0,1,0|0,1,0]=3 512 B6R1.5 O[C@H]1C[C@@H](F)C1 F14837 [0,1,0,0,1,0|0,1,0]=3 513 B6R1.5 O[C@H]1C[C@H](F)C1 F11668 [0,1,0,0,1,0|0,1,0]=3 514 B6R1.6 BrCC1COC1 B19169 [0,1,0,0,1,0|2,0,0]=4 515 B6R1.6 BrC[C@H]1CCO1 B0614 [0,1,0,0,1,0|2,0,0]=4 516 B6R1.6 C#CC1COC1 E59987 [0,1,0,0,1,0|2,0,0]=4 517 B6R1.6 CNC1CNC1 M1333 [0,1,0,0,1,0|2,0,0]=4 518 B6R1.6 CNC1COC1 M5690 [0,1,0,0,1,0|2,0,0]=4 519 B6R1.6 CN[C@@H]1CCN1 A7337 [0,1,0,0,1,0|2,0,0]=4 520 B6R1.6 COC1CNC1 M0107 [0,1,0,0,1,0|1,1,0]=4 521 B6R1.6 CSC1CNC1 M0303 [0,1,0,0,1,0|1,0,0]=3 522 B6R1.6 FCC1CNC1 F21648 [0,1,0,0,1,0|2,0,0]=4 523 B6R1.6 ICC1CCC1 I29708 [0,1,0,0,1,0|1,0,0]=3 524 B6R1.6 ICC1COC1 I6937 [0,1,0,0,1,0|2,0,0]=4 525 B6R1.6 IC[C@H]1CCO1 I6940 [0,1,0,0,1,0|2,0,0]=4 526 B6R1.6 N#CC1CCC1 C5653 [0,1,0,0,1,0|1,0,0]=3 527 B6R1.6 N#CC1CNC1 A0188 [0,1,0,0,1,0|2,0,0]=4 528 B6R1.6 N#CC1COC1 X61554 [0,1,0,0,1,0|2,0,0]=4 529 B6R1.6 N#C[C@H]1CCN1 A60326 [0,1,0,0,1,0|2,0,0]=4 530 B6R1.6 NCC1CCC1 C0310 [0,1,0,0,1,0|1,0,0]=3 531 B6R1.6 NCC1CCC1 C1144 [0,1,0,0,1,0|1,0,0]=3 532 B6R1.6 NCC1CNC1 A13410 [0,1,0,0,1,0|2,0,0]=4 533 B6R1.6 NCC1COC1 O5691 [0,1,0,0,1,0|2,0,0]=4 534 B6R1.6 NCC1CSC1 T6978 [0,1,0,0,1,0|2,0,0]=4 535 B6R1.6 NC[C@H]1CCO1 X6187 [0,1,0,0,1,0|2,0,0]=4 536 B6R1.6 NNC1CCC1 C37776 [0,1,0,0,1,0|1,0,0]=3 537 B6R1.6 OCC1CCC1 C67424 [0,1,0,0,1,0|0,1,0]=3 538 B6R1.6 OCC1CNC1 A5874 [0,1,0,0,1,0|1,1,0]=4 539 B6R1.6 OCC1CNC1 H12177 [0,1,0,0,1,0|1,1,0]=4 540 B6R1.6 OCC1COC1 X6263 [0,1,0,0,1,0|1,1,0]=4 541 B6R1.6 OCC1CSC1 T20107 [0,1,0,0,1,0|1,1,0]=4 542 B6R1.6 OC[C@@H]1CCN1 A11256 [0,1,0,0,1,0|1,1,0]=4 543 B6R1.6 OC[C@H]1CCN1 A11255 [0,1,0,0,1,0|1,1,0]=4 544 B6R1.6 OC[C@H]1CCN1 A11257 [0,1,0,0,1,0|1,1,0]=4 545 B6R1.6 OC[C@H]1CCO1 X6188 [0,1,0,0,1,0|1,1,0]=4 546 B6R1.6 [Mg+]CC1CCC1 C5036 [0,1,0,0,1,0|1,0,0]=3 547 B6R1.10 CC1(C)CNC1 D11454 [0,1,0,0,1,0|2,0,0]=4 548 B6R1.10 CC1(F)CNC1 F11719 [0,1,0,0,1,0|2,0,0]=4 549 B6R1.10 CC1(N)CCC1 M15665 [0,1,0,0,1,0|1,0,0]=3 550 B6R1.10 CC1(N)CCC1 M15666 [0,1,0,0,1,0|1,0,0]=3 551 B6R1.10 CC1(N)CCC1 M6467 [0,1,0,0,1,0|1,0,0]=3 552 B6R1.10 CC1(N)CNC1 A10361 [0,1,0,0,1,0|2,0,0]=4 553 B6R1.10 CC1(N)COC1 M5614 [0,1,0,0,1,0|2,0,0]=4 554 B6R1.10 CC1(N)COC1 M7167 [0,1,0,0,1,0|2,0,0]=4 555 B6R1.10 CC1(N)CSC1 M30085 [0,1,0,0,1,0|2,0,0]=4 556 B6R1.10 CC1(O)CNC1 H0307 [0,1,0,0,1,0|1,1,0]=4 557 B6R1.10 CC1(O)COC1 M6651 [0,1,0,0,1,0|1,1,0]=4 558 B6R1.10 CC1(O)CSC1 M29793 [0,1,0,0,1,0|1,1,0]=4 559 B6R1.10 FC1(F)CNC1 D0001 [0,1,0,0,1,0|2,0,0]=4 560 B6R1.10 O=S1(=O)CCC1 T5974 [0,1,0,0,1,0|1,1,0]=4 561 B8R1.2 BrCC1=CCCCC1 B10308 [0,1,0,0,0,1|1,0,1]=4 562 B8R1.2 BrCC1CCCCC1 B43832 [0,1,0,0,0,1|1,0,0]=3 563 B8R1.2 BrCC1CCNCC1 B1292 [0,1,0,0,0,1|1,0,0]=3 564 B8R1.2 BrCC1CCOCC1 B3933 [0,1,0,0,0,1|1,0,0]=3 565 B8R1.2 BrC[C@H]1CCCOC1 B8026 [0,1,0,0,0,1|1,0,0]=3 566 B8R1.2 C#CC1CCNCC1 E24220 [0,1,0,0,0,1|1,0,0]=3 567 B8R1.2 C#CC1CCOCC1 E0568 [0,1,0,0,0,1|1,0,0]=3 568 B8R1.2 C#CC1CCSCC1 E13094 [0,1,0,0,0,1|1,0,0]=3 569 B8R1.2 C#C[C@H]1CCCNC1 E14072 [0,1,0,0,0,1|1,0,0]=3 570 B8R1.2 C#C[C@H]1CCCOC1 E14193 [0,1,0,0,0,1|1,0,0]=3 571 B8R1.2 CCC1COCCN1 O5554 [0,1,0,0,0,1|2,0,0]=4 572 B8R1.2 CCN1CCNCC1 E13368 [0,1,0,0,0,1|2,0,0]=4 573 B8R1.2 CC[C@@H]1CNCCN1 E67103 [0,1,0,0,0,1|2,0,0]=4 574 B8R1.2 CC[C@H]1CCCCN1 E46502 [0,1,0,0,0,1|1,0,0]=3 575 B8R1.2 CC[C@H]1CNCCN1 E13389 [0,1,0,0,0,1|2,0,0]=4 576 B8R1.2 CC[C@H]1CNCCN1 E13401 [0,1,0,0,0,1|2,0,0]=4 577 B8R1.2 CC[C@H]1CNCCN1 E65175 [0,1,0,0,0,1|2,0,0]=4 578 B8R1.2 CC[C@H]1COCCN1 E22377 [0,1,0,0,0,1|2,0,0]=4 579 B8R1.2 CNC1CCNCC1 M13774 [0,1,0,0,0,1|1,0,0]=3 580 B8R1.2 CNC1CCOCC1 M10218 [0,1,0,0,0,1|1,0,0]=3 581 B8R1.2 CN[C@H]1CCCNC1 M43509 [0,1,0,0,0,1|1,0,0]=3 582 B8R1.2 CN[C@H]1CCCNC1 M43560 [0,1,0,0,0,1|1,0,0]=3 583 B8R1.2 COC1CCNCC1 M0482 [0,1,0,0,0,1|0,1,0]=3 584 B8R1.2 COC1CCNCC1 M1164 [0,1,0,0,0,1|0,1,0]=3 585 B8R1.2 CO[C@@H]1CCCNC1 M10269 [0,1,0,0,0,1|0,1,0]=3 586 B8R1.2 CO[C@@H]1CCCNC1 M10270 [0,1,0,0,0,1|0,1,0]=3 587 B8R1.2 CO[C@H]1CCCNC1 M10271 [0,1,0,0,0,1|0,1,0]=3 588 B8R1.2 CO[C@H]1CCCNC1 M1167 [0,1,0,0,0,1|0,1,0]=3 589 B8R1.2 CO[C@H]1CCCNC1 M7502 [0,1,0,0,0,1|0,1,0]=3 590 B8R1.2 ClC[C@H]1CCCCN1 C41543 [0,1,0,0,0,1|1,0,0]=3 591 B8R1.2 FCC1CCNCC1 F1237 [0,1,0,0,0,1|1,0,0]=3 592 B8R1.2 FCC1CCNCC1 F14211 [0,1,0,0,0,1|1,0,0]=3 593 B8R1.2 FC[C@H]1CCCCN1 F1342 [0,1,0,0,0,1|1,0,0]=3 594 B8R1.2 ICC1CCCCC1 I38363 [0,1,0,0,0,1|1,0,0]=3 595 B8R1.2 ICC1CCOCC1 I10217 [0,1,0,0,0,1|1,0,0]=3 596 B8R1.2 I[Zn]C1CCOCC1 T31854 [0,1,0,0,0,1|1,0,0]=3 597 B8R1.2 N#CC1CCCCC1 C69224 [0,1,0,0,0,1|1,0,0]=3 598 B8R1.2 N#CC1CCCCN1 P20239 [0,1,0,0,0,1|1,0,0]=3 599 B8R1.2 N#CC1CCNCC1 C10273 [0,1,0,0,0,1|1,0,0]=3 600 B8R1.2 N#CC1CCOCC1 C1508 [0,1,0,0,0,1|1,0,0]=3 601 B8R1.2 N#CC1CCSCC1 T13089 [0,1,0,0,0,1|1,0,0]=3 602 B8R1.2 N#C[C@@H]1CCCCN1 C13305 [0,1,0,0,0,1|1,0,0]=3 603 B8R1.2 N#C[C@@H]1CCCCN1 P43432 [0,1,0,0,0,1|1,0,0]=3 604 B8R1.2 N#C[C@@H]1CCCNC1 C15044 [0,1,0,0,0,1|1,0,0]=3 605 B8R1.2 N#C[C@@H]1CNCCN1 P41397 [0,1,0,0,0,1|2,0,0]=4 606 B8R1.2 N#C[C@@H]1CNCCO1 M41361 [0,1,0,0,0,1|2,0,0]=4 607 B8R1.2 N#C[C@@H]1CNCCO1 M41363 [0,1,0,0,0,1|2,0,0]=4 608 B8R1.2 N#C[C@@H]1COCCN1 M41194 [0,1,0,0,0,1|2,0,0]=4 609 B8R1.2 N#C[C@H]1CCCNC1 C15045 [0,1,0,0,0,1|1,0,0]=3 610 B8R1.2 N#C[C@H]1CCCNC1 C1622 [0,1,0,0,0,1|1,0,0]=3 611 B8R1.2 N#C[C@H]1CNCCN1 P64311 [0,1,0,0,0,1|2,0,0]=4 612 B8R1.2 NCC1CCCCC1 C43900 [0,1,0,0,0,1|1,0,0]=3 613 B8R1.2 NCC1CCOCC1 T1166 [0,1,0,0,0,1|1,0,0]=3 614 B8R1.2 NCC1CCSCC1 T13090 [0,1,0,0,0,1|1,0,0]=3 615 B8R1.2 NC[C@@H]1CCCOC1 T14517 [0,1,0,0,0,1|1,0,0]=3 616 B8R1.2 NC[C@@H]1COCCO1 D11964 [0,1,0,0,0,1|2,0,0]=4 617 B8R1.2 NC[C@H]1CCCCN1 P68366 [0,1,0,0,0,1|1,0,0]=3 618 B8R1.2 NC[C@H]1CCCNC1 P60926 [0,1,0,0,0,1|1,0,0]=3 619 B8R1.2 NC[C@H]1CCCOC1 A14515 [0,1,0,0,0,1|1,0,0]=3 620 B8R1.2 NC[C@H]1CCCOC1 T14516 [0,1,0,0,0,1|1,0,0]=3 621 B8R1.2 NC[C@H]1CNCCO1 M61772 [0,1,0,0,0,1|2,0,0]=4 622 B8R1.2 NC[C@H]1COCCO1 D11965 [0,1,0,0,0,1|2,0,0]=4 623 B8R1.2 NC[C@H]1COCCO1 D15491 [0,1,0,0,0,1|2,0,0]=4 624 B8R1.2 NNC1CCCCC1 C43508 [0,1,0,0,0,1|1,0,0]=3 625 B8R1.2 NNC1CCOCC1 T12041 [0,1,0,0,0,1|1,0,0]=3 626 B8R1.2 NNC1CCOCC1 T64234 [0,1,0,0,0,1|1,0,0]=3 627 B8R1.2 NO[C@@H]1CCCCO1 T24832 [0,1,0,0,0,1|0,1,0]=3 628 B8R1.2 O=CC1CCOCC1 T0115 [0,1,0,0,0,1|0,1,0]=3 629 B8R1.2 O=CC1CCSCC1 T31827 [0,1,0,0,0,1|0,1,0]=3 630 B8R1.2 O=CN1CCCCC1 P68910 [0,1,0,0,0,1|1,1,0]=4 631 B8R1.2 O=CN1CCOCC1 M68909 [0,1,0,0,0,1|1,1,0]=4 632 B8R1.2 OCC1CCNCC1 P0766 [0,1,0,0,0,1|0,1,0]=3 633 B8R1.2 OCC1CCOCC1 H0390 [0,1,0,0,0,1|0,1,0]=3 634 B8R1.2 OCC1CCSCC1 T13093 [0,1,0,0,0,1|0,1,0]=3 635 B8R1.2 OC[C@@H]1CC=CCC1 C43800 [0,1,0,0,0,1|0,1,1]=4 636 B8R1.2 OC[C@@H]1CCCCN1 P7111 [0,1,0,0,0,1|0,1,0]=3 637 B8R1.2 OC[C@@H]1CCCCO1 X24024 [0,1,0,0,0,1|0,1,0]=3 638 B8R1.2 OC[C@@H]1CCCNC1 P41579 [0,1,0,0,0,1|0,1,0]=3 639 B8R1.2 OC[C@@H]1CCCNC1 P60999 [0,1,0,0,0,1|0,1,0]=3 640 B8R1.2 OC[C@@H]1CCCOC1 X59846 [0,1,0,0,0,1|0,1,0]=3 641 B8R1.2 OC[C@@H]1CNCCO1 M18586 [0,1,0,0,0,1|1,1,0]=4 642 B8R1.2 OC[C@@H]1COCCN1 H40409 [0,1,0,0,0,1|1,1,0]=4 643 B8R1.2 OC[C@@H]1COCCN1 M41331 [0,1,0,0,0,1|1,1,0]=4 644 B8R1.2 OC[C@@H]1COCCO1 D23560 [0,1,0,0,0,1|1,1,0]=4 645 B8R1.2 OC[C@H]1CCCCN1 H41578 [0,1,0,0,0,1|0,1,0]=3 646 B8R1.2 OC[C@H]1CCCCN1 P7110 [0,1,0,0,0,1|0,1,0]=3 647 B8R1.2 OC[C@H]1CCCNC1 P0762 [0,1,0,0,0,1|0,1,0]=3 648 B8R1.2 OC[C@H]1CCCNC1 P41576 [0,1,0,0,0,1|0,1,0]=3 649 B8R1.2 OC[C@H]1CCCOC1 H11515 [0,1,0,0,0,1|0,1,0]=3 650 B8R1.2 OC[C@H]1CCCOC1 X59849 [0,1,0,0,0,1|0,1,0]=3 651 B8R1.2 OC[C@H]1CNCCN1 P41389 [0,1,0,0,0,1|1,1,0]=4 652 B8R1.2 OC[C@H]1CNCCN1 P41390 [0,1,0,0,0,1|1,1,0]=4 653 B8R1.2 OC[C@H]1CNCCO1 M19813 [0,1,0,0,0,1|1,1,0]=4 654 B8R1.2 OC[C@H]1CNCCO1 M40407 [0,1,0,0,0,1|1,1,0]=4 655 B8R1.2 OC[C@H]1CNCCO1 M41329 [0,1,0,0,0,1|1,1,0]=4 656 B8R1.2 OC[C@H]1COCCN1 M41332 [0,1,0,0,0,1|1,1,0]=4 657 B8R1.2 OC[C@H]1COCCN1 M61069 [0,1,0,0,0,1|1,1,0]=4 658 B8R1.2 OC[C@H]1COCCN1 M61885 [0,1,0,0,0,1|1,1,0]=4 659 B8R1.2 OC[C@H]1COCCO1 D23561 [0,1,0,0,0,1|1,1,0]=4 660 B8R1.2 OC[C@H]1COCCO1 D40389 [0,1,0,0,0,1|1,1,0]=4 661 B8R1.2 ON=C1CCOCC1 T0658 [0,1,0,0,0,1|0,1,1]=4 662 B8R1.2 ON=C1CCSCC1 T6161 [0,1,0,0,0,1|0,1,1]=4 663 B8R1.2 ONC1CCCCC1 C43480 [0,1,0,0,0,1|0,1,0]=3 664 B8R1.2 [Mg+]CC1CCCCC1 C31706 [0,1,0,0,0,1|1,0,0]=3 665 B8R1.3 CC1CCC(=O)CC1 M39288 [0,1,0,0,0,1|1,0,0]=3 666 B8R1.3 CC1CCC(O)CC1 M61965 [0,1,0,0,0,1|0,1,0]=3 667 B8R1.3 CN1CCC(=O)CC1 M28326 [0,1,0,0,0,1|0,1,1]=4 668 B8R1.3 CN1CCC(Cl)CC1 C68578 [0,1,0,0,0,1|1,0,0]=3 669 B8R1.3 CN1CCC(N)CC1 A7503 [0,1,0,0,0,1|1,0,0]=3 670 B8R1.3 CN1CCC(O)CC1 H12302 [0,1,0,0,0,1|0,1,0]=3 671 B8R1.3 CN1CCC([Mg+])CC1 M8352 [0,1,0,0,0,1|1,0,0]=3 672 B8R1.3 CN1CCC([Zn+])CC1 M7236 [0,1,0,0,0,1|1,0,0]=3 673 B8R1.3 CN1CCN(N)CC1 M62380 [0,1,0,0,0,1|2,0,0]=4 674 B8R1.3 C[C@@H]1CC[C@H](O)CN1 M59818 [0,1,0,0,0,1|0,1,0]=3 675 B8R1.3 C[C@@H]1CO[C@H](C)CN1 D43484 [0,1,0,0,0,1|2,0,0]=4 676 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [0,1,0,0,0,1|0,1,1]=4 677 B8R1.3 C[C@H]1CC[C@@H](N)CC1 M46505 [0,1,0,0,0,1|1,0,0]=3 678 B8R1.3 C[C@H]1CC[C@H](N)CC1 M46506 [0,1,0,0,0,1|1,0,0]=3 679 B8R1.3 C[C@H]1CC[C@H](N)CC1 M68368 [0,1,0,0,0,1|1,0,0]=3 680 B8R1.3 C[C@H]1CN[C@@H](C)CN1 D11163 [0,1,0,0,0,1|2,0,0]=4 681 B8R1.3 C[C@H]1CN[C@H](C)CN1 D41608 [0,1,0,0,0,1|2,0,0]=4 682 B8R1.3 C[C@H]1CN[C@H](C)CO1 D41580 [0,1,0,0,0,1|2,0,0]=4 683 B8R1.3 C[C@H]1CO[C@@H](C)CN1 D43485 [0,1,0,0,0,1|2,0,0]=4 684 B8R1.3 NC1CCC(=O)CC1 A38581 [0,1,0,0,0,1|1,0,0]=3 685 B8R1.3 NC1CCC(Br)CC1 B41541 [0,1,0,0,0,1|1,0,0]=3 686 B8R1.3 NC1CCC(O)CC1 A43478 [0,1,0,0,0,1|0,1,0]=3 687 B8R1.3 NN1CCC(O)CC1 A61614 [0,1,0,0,0,1|0,1,0]=3 688 B8R1.3 N[C@H]1CCC(=O)NC1 A0587 [0,1,0,0,0,1|0,1,1]=4 689 B8R1.3 N[C@H]1CC[C@@H](O)CC1 A23551 [0,1,0,0,0,1|0,1,0]=3 690 B8R1.3 N[C@H]1CC[C@@H](O)CC1 A29883 [0,1,0,0,0,1|0,1,0]=3 691 B8R1.3 N[C@H]1CC[C@H](N)CC1 C67917 [0,1,0,0,0,1|1,0,0]=3 692 B8R1.3 N[C@H]1CC[C@H](O)CC1 A4686 [0,1,0,0,0,1|0,1,0]=3 693 B8R1.3 O=C1CCC(O)CC1 H18838 [0,1,0,0,0,1|0,1,0]=3 694 B8R1.3 O=C1CC[C@H](O)CN1 H22093 [0,1,0,0,0,1|0,1,1]=4 695 B8R1.3 OC1COC(O)CO1 D2034 [0,1,0,0,0,1|1,1,0]=4 696 B8R1.3 OC1CSC(O)CS1 D69077 [0,1,0,0,0,1|1,1,0]=4 697 B8R1.3 O[C@H]1CC[C@@H](O)CC1 C11596 [0,1,0,0,0,1|0,1,0]=3 698 B8R1.3 O[C@H]1CC[C@H](O)CC1 C24967 [0,1,0,0,0,1|0,1,0]=3 699 B8R1.4 CC1CC(N)CCO1 M26284 [0,1,0,0,0,1|1,0,0]=3 700 B8R1.4 CC1CC(O)CCN1 M11589 [0,1,0,0,0,1|0,1,0]=3 701 B8R1.4 CC1CC(O)CCO1 M14345 [0,1,0,0,0,1|0,1,0]=3 702 B8R1.4 CC1CNCC(C)C1 D39299 [0,1,0,0,0,1|1,0,0]=3 703 B8R1.4 CC1CNCC(C)N1 D4711 [0,1,0,0,0,1|2,0,0]=4 704 B8R1.4 CN1CCCC(=O)C1 M13651 [0,1,0,0,0,1|0,1,1]=4 705 B8R1.4 CN1CCC[C@@H](N)C1 A1653 [0,1,0,0,0,1|1,0,0]=3 706 B8R1.4 CN1CCC[C@@H](N)C1 M16827 [0,1,0,0,0,1|1,0,0]=3 707 B8R1.4 CN1CCC[C@@H](O)C1 H1521 [0,1,0,0,0,1|0,1,0]=3 708 B8R1.4 CN1CCC[C@H](N)C1 A0282 [0,1,0,0,0,1|1,0,0]=3 709 B8R1.4 CN1CCC[C@H](N)C1 A1654 [0,1,0,0,0,1|1,0,0]=3 710 B8R1.4 CN1CCC[C@H](N)C1 A7504 [0,1,0,0,0,1|1,0,0]=3 711 B8R1.4 CN1CCC[C@H](O)C1 H0286 [0,1,0,0,0,1|0,1,0]=3 712 B8R1.4 CN1CCC[C@H](O)C1 H1522 [0,1,0,0,0,1|0,1,0]=3 713 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,1,0,0,0,1|0,1,1]=4 714 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,1,0,0,0,1|0,1,1]=4 715 B8R1.4 C[C@@H]1CN(C)CCN1 D27738 [0,1,0,0,0,1|2,0,0]=4 716 B8R1.4 C[C@@H]1CN(C)CCN1 D62333 [0,1,0,0,0,1|2,0,0]=4 717 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 D13904 [0,1,0,0,0,1|2,0,0]=4 718 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 D20228 [0,1,0,0,0,1|2,0,0]=4 719 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 D43561 [0,1,0,0,0,1|2,0,0]=4 720 B8R1.4 C[C@@H]1COC[C@@H](C)N1 D27896 [0,1,0,0,0,1|2,0,0]=4 721 B8R1.4 C[C@@H]1C[C@H](O)CCN1 M31245 [0,1,0,0,0,1|0,1,0]=3 722 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,1,0,0,0,1|0,1,1]=4 723 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,1,0,0,0,1|0,1,1]=4 724 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,1,0,0,0,1|0,1,1]=4 725 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,1,0,0,0,1|0,1,1]=4 726 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,1,0,0,0,1|0,1,1]=4 727 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,1,0,0,0,1|0,1,1]=4 728 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [0,1,0,0,0,1|0,1,1]=4 729 B8R1.4 C[C@H]1CN(C)CCN1 D41607 [0,1,0,0,0,1|2,0,0]=4 730 B8R1.4 C[C@H]1CNC[C@@H](C)N1 D10658 [0,1,0,0,0,1|2,0,0]=4 731 B8R1.4 C[C@H]1CNC[C@@H](C)O1 D14096 [0,1,0,0,0,1|2,0,0]=4 732 B8R1.4 C[C@H]1CNC[C@H](C)N1 D11159 [0,1,0,0,0,1|2,0,0]=4 733 B8R1.4 C[C@H]1CNC[C@H](C)N1 D20216 [0,1,0,0,0,1|2,0,0]=4 734 B8R1.4 C[C@H]1CNC[C@H](C)O1 D22785 [0,1,0,0,0,1|2,0,0]=4 735 B8R1.4 C[C@H]1CNC[C@H](C)O1 D7921 [0,1,0,0,0,1|2,0,0]=4 736 B8R1.4 C[C@H]1COC[C@@H](C)N1 D11279 [0,1,0,0,0,1|2,0,0]=4 737 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M11590 [0,1,0,0,0,1|0,1,0]=3 738 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M8079 [0,1,0,0,0,1|0,1,0]=3 739 B8R1.4 NC1CCCC(O)C1 A24893 [0,1,0,0,0,1|0,1,0]=3 740 B8R1.4 NC1CCCC(O)C1 A43477 [0,1,0,0,0,1|0,1,0]=3 741 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 A17953 [0,1,0,0,0,1|0,1,0]=3 742 B8R1.4 N[C@@H]1CCC[C@H](O)C1 A24958 [0,1,0,0,0,1|0,1,0]=3 743 B8R1.4 N[C@@H]1CCC[C@H](O)C1 A32382 [0,1,0,0,0,1|0,1,0]=3 744 B8R1.4 N[C@H]1CCC[C@@H](N)C1 C23932 [0,1,0,0,0,1|1,0,0]=3 745 B8R1.4 N[C@H]1CCC[C@@H](O)C1 A31661 [0,1,0,0,0,1|0,1,0]=3 746 B8R1.4 N[C@H]1CCC[C@H](N)C1 C29966 [0,1,0,0,0,1|1,0,0]=3 747 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [0,1,0,0,0,1|0,1,1]=4 748 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [0,1,0,0,0,1|0,1,1]=4 749 B8R1.4 O=C1CCCC(=O)C1 C38740 [0,1,0,0,0,1|0,1,1]=4 750 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [0,1,0,0,0,1|0,1,1]=4 751 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [0,1,0,0,0,1|0,1,1]=4 752 B8R1.5 CC1CCNCC1O H11697 [0,1,0,0,0,1|0,1,0]=3 753 B8R1.5 CC1CCNCC1O H11698 [0,1,0,0,0,1|0,1,0]=3 754 B8R1.5 CC1CNCCC1O M17031 [0,1,0,0,0,1|0,1,0]=3 755 B8R1.5 CC1CNCCC1O M41575 [0,1,0,0,0,1|0,1,0]=3 756 B8R1.5 C[C@@H]1CCCC[C@@H]1N M46507 [0,1,0,0,0,1|1,0,0]=3 757 B8R1.5 C[C@@H]1CCNC[C@@H]1O H14889 [0,1,0,0,0,1|0,1,0]=3 758 B8R1.5 C[C@@H]1CCNC[C@H]1O H11699 [0,1,0,0,0,1|0,1,0]=3 759 B8R1.5 C[C@@H]1CCNC[C@H]1O H14888 [0,1,0,0,0,1|0,1,0]=3 760 B8R1.5 C[C@@H]1CNCCN1C D10718 [0,1,0,0,0,1|2,0,0]=4 761 B8R1.5 C[C@@H]1CNCC[C@H]1O M30026 [0,1,0,0,0,1|0,1,0]=3 762 B8R1.5 C[C@@H]1COCC[C@H]1N M14514 [0,1,0,0,0,1|1,0,0]=3 763 B8R1.5 C[C@@H]1COCC[C@H]1N M27647 [0,1,0,0,0,1|1,0,0]=3 764 B8R1.5 C[C@@H]1COCC[C@H]1N M59772 [0,1,0,0,0,1|1,0,0]=3 765 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,1,0,0,0,1|1,0,0]=3 766 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,1,0,0,0,1|0,1,1]=4 767 B8R1.5 C[C@H]1CCNCC1=O M14887 [0,1,0,0,0,1|0,1,1]=4 768 B8R1.5 C[C@H]1CCNC[C@H]1O H11700 [0,1,0,0,0,1|0,1,0]=3 769 B8R1.5 C[C@H]1CNCCC1=O M14880 [0,1,0,0,0,1|0,1,1]=4 770 B8R1.5 C[C@H]1CNCCC1=O M41497 [0,1,0,0,0,1|0,1,1]=4 771 B8R1.5 C[C@H]1CNCCN1C D11166 [0,1,0,0,0,1|2,0,0]=4 772 B8R1.5 C[C@H]1CNCCN1C D23865 [0,1,0,0,0,1|2,0,0]=4 773 B8R1.5 C[C@H]1CNCCN1C D41606 [0,1,0,0,0,1|2,0,0]=4 774 B8R1.5 C[C@H]1COCCC1=O M11408 [0,1,0,0,0,1|0,1,1]=4 775 B8R1.5 C[C@H]1COCC[C@@H]1N M59773 [0,1,0,0,0,1|1,0,0]=3 776 B8R1.5 C[C@H]1COCC[C@H]1N M11514 [0,1,0,0,0,1|1,0,0]=3 777 B8R1.5 F[C@@H]1CCNC[C@H]1F D15106 [0,1,0,0,0,1|1,0,0]=3 778 B8R1.5 F[C@H]1CCNC[C@H]1F D15107 [0,1,0,0,0,1|1,0,0]=3 779 B8R1.5 NC1COCCC1O A7869 [0,1,0,0,0,1|0,1,0]=3 780 B8R1.5 NN1CCCCC1=O A41312 [0,1,0,0,0,1|0,1,1]=4 781 B8R1.5 N[C@@H]1CCCC[C@H]1N C22236 [0,1,0,0,0,1|1,0,0]=3 782 B8R1.5 N[C@@H]1CCCC[C@H]1N C60843 [0,1,0,0,0,1|1,0,0]=3 783 B8R1.5 N[C@@H]1CCCC[C@H]1O A41577 [0,1,0,0,0,1|0,1,0]=3 784 B8R1.5 N[C@@H]1CCCC[C@H]1O A43481 [0,1,0,0,0,1|0,1,0]=3 785 B8R1.5 N[C@@H]1CCCNC1=O A41314 [0,1,0,0,0,1|0,1,1]=4 786 B8R1.5 N[C@@H]1CCOC[C@@H]1F F20714 [0,1,0,0,0,1|1,0,0]=3 787 B8R1.5 N[C@@H]1CCOC[C@@H]1F F60225 [0,1,0,0,0,1|1,0,0]=3 788 B8R1.5 N[C@@H]1CCOC[C@@H]1O A11506 [0,1,0,0,0,1|0,1,0]=3 789 B8R1.5 N[C@@H]1CCOC[C@@H]1O A20209 [0,1,0,0,0,1|0,1,0]=3 790 B8R1.5 N[C@@H]1CCOC[C@H]1F F19599 [0,1,0,0,0,1|1,0,0]=3 791 B8R1.5 N[C@@H]1CCOC[C@H]1O A11507 [0,1,0,0,0,1|0,1,0]=3 792 B8R1.5 N[C@@H]1CCOC[C@H]1O A20694 [0,1,0,0,0,1|0,1,0]=3 793 B8R1.5 N[C@@H]1COCC[C@@H]1O A20910 [0,1,0,0,0,1|0,1,0]=3 794 B8R1.5 N[C@@H]1COCC[C@@H]1O A21545 [0,1,0,0,0,1|0,1,0]=3 795 B8R1.5 N[C@@H]1COCC[C@H]1O A12092 [0,1,0,0,0,1|0,1,0]=3 796 B8R1.5 N[C@H]1CCCCC1=O A63504 [0,1,0,0,0,1|1,0,0]=3 797 B8R1.5 N[C@H]1CCCC[C@@H]1N C65455 [0,1,0,0,0,1|1,0,0]=3 798 B8R1.5 N[C@H]1CCCC[C@@H]1O A43482 [0,1,0,0,0,1|0,1,0]=3 799 B8R1.5 N[C@H]1CCCC[C@@H]1O A64879 [0,1,0,0,0,1|0,1,0]=3 800 B8R1.5 N[C@H]1CCCC[C@H]1N C67193 [0,1,0,0,0,1|1,0,0]=3 801 B8R1.5 N[C@H]1CCCC[C@H]1O A38152 [0,1,0,0,0,1|0,1,0]=3 802 B8R1.5 N[C@H]1CCCC[C@H]1O A43479 [0,1,0,0,0,1|0,1,0]=3 803 B8R1.5 N[C@H]1CCCNC1=O A38933 [0,1,0,0,0,1|0,1,1]=4 804 B8R1.5 N[C@H]1CCCNC1=O A41313 [0,1,0,0,0,1|0,1,1]=4 805 B8R1.5 N[C@H]1CCCNC1=O A64847 [0,1,0,0,0,1|0,1,1]=4 806 B8R1.5 N[C@H]1CCOC[C@@H]1F F27830 [0,1,0,0,0,1|1,0,0]=3 807 B8R1.5 N[C@H]1CCOC[C@@H]1F P20737 [0,1,0,0,0,1|1,0,0]=3 808 B8R1.5 N[C@H]1CCOC[C@@H]1O A16546 [0,1,0,0,0,1|0,1,0]=3 809 B8R1.5 N[C@H]1CCOC[C@H]1O A10117 [0,1,0,0,0,1|0,1,0]=3 810 B8R1.5 N[C@H]1CCOC[C@H]1O A27832 [0,1,0,0,0,1|0,1,0]=3 811 B8R1.5 N[C@H]1COCC[C@@H]1O A20755 [0,1,0,0,0,1|0,1,0]=3 812 B8R1.5 N[C@H]1COCC[C@H]1O A59650 [0,1,0,0,0,1|0,1,0]=3 813 B8R1.5 O=C1CCCCC1=O C67839 [0,1,0,0,0,1|0,1,1]=4 814 B8R1.5 O=C1CCNC[C@@H]1F F11694 [0,1,0,0,0,1|0,1,1]=4 815 B8R1.5 O=C1CCNC[C@@H]1F F13759 [0,1,0,0,0,1|0,1,1]=4 816 B8R1.5 O=C1CCOC[C@@H]1Br B7711 [0,1,0,0,0,1|0,1,1]=4 817 B8R1.5 O=C1CCOC[C@@H]1F F5739 [0,1,0,0,0,1|0,1,1]=4 818 B8R1.5 O=C1NCCC[C@@H]1Br B41219 [0,1,0,0,0,1|0,1,1]=4 819 B8R1.5 O=C1NCCC[C@@H]1O H36756 [0,1,0,0,0,1|0,1,1]=4 820 B8R1.5 OC1CCCCC1Cl C41533 [0,1,0,0,0,1|0,1,0]=3 821 B8R1.5 OC1CCNCC1F F32301 [0,1,0,0,0,1|0,1,0]=3 822 B8R1.5 OC1CCOCC1F F20039 [0,1,0,0,0,1|0,1,0]=3 823 B8R1.5 O[C@@H]1CCNC[C@@H]1F F12118 [0,1,0,0,0,1|0,1,0]=3 824 B8R1.5 O[C@@H]1CCNC[C@H]1O D31613 [0,1,0,0,0,1|0,1,0]=3 825 B8R1.5 O[C@@H]1CCOC[C@H]1F F59990 [0,1,0,0,0,1|0,1,0]=3 826 B8R1.5 O[C@@H]1CNCC[C@H]1F F26881 [0,1,0,0,0,1|0,1,0]=3 827 B8R1.5 O[C@H]1CCCC[C@H]1O C61980 [0,1,0,0,0,1|0,1,0]=3 828 B8R1.5 O[C@H]1CCNC[C@@H]1F F10552 [0,1,0,0,0,1|0,1,0]=3 829 B8R1.5 O[C@H]1CCNC[C@@H]1F F19740 [0,1,0,0,0,1|0,1,0]=3 830 B8R1.5 O[C@H]1CCNC[C@H]1F F10553 [0,1,0,0,0,1|0,1,0]=3 831 B8R1.5 O[C@H]1CCNC[C@H]1F F20213 [0,1,0,0,0,1|0,1,0]=3 832 B8R1.5 O[C@H]1CCOC[C@H]1F F59954 [0,1,0,0,0,1|0,1,0]=3 833 B8R1.5 O[C@H]1CCOC[C@H]1F F60449 [0,1,0,0,0,1|0,1,0]=3 834 B8R1.5 O[C@H]1CNCC[C@@H]1F F10551 [0,1,0,0,0,1|0,1,0]=3 835 B8R1.5 O[C@H]1CNCC[C@H]1O P10148 [0,1,0,0,0,1|0,1,0]=3 836 B8R1.72 CC1(C)CCNCC1 D0628 [0,1,0,0,0,1|1,0,0]=3 837 B8R1.72 CC1(C)CNCCN1 D13386 [0,1,0,0,0,1|2,0,0]=4 838 B8R1.72 CC1(C)CNCCO1 D11989 [0,1,0,0,0,1|2,0,0]=4 839 B8R1.72 CC1(C)CNCCO1 D1343 [0,1,0,0,0,1|2,0,0]=4 840 B8R1.72 CC1(C)COCCN1 D24429 [0,1,0,0,0,1|2,0,0]=4 841 B8R1.72 CC1(F)CCNCC1 F43473 [0,1,0,0,0,1|1,0,0]=3 842 B8R1.72 CC1(N)CCOCC1 M10391 [0,1,0,0,0,1|1,0,0]=3 843 B8R1.72 CC1(O)CCCCC1 M43886 [0,1,0,0,0,1|0,1,0]=3 844 B8R1.72 CC1(O)CCNCC1 H7439 [0,1,0,0,0,1|0,1,0]=3 845 B8R1.72 CC1(O)CCNCC1 M0127 [0,1,0,0,0,1|0,1,0]=3 846 B8R1.72 CC1(O)CCOCC1 M25219 [0,1,0,0,0,1|0,1,0]=3 847 B8R1.72 CC1(O)CCSCC1 M41569 [0,1,0,0,0,1|0,1,0]=3 848 B8R1.72 C[C@]1(O)CCCNC1 M1131 [0,1,0,0,0,1|0,1,0]=3 849 B8R1.72 C[C@]1(O)CCCNC1 M59908 [0,1,0,0,0,1|0,1,0]=3 850 B8R1.72 C[Si]1(C)CCNCC1 D29603 [0,1,0,0,0,1|1,1,0]=4 851 B8R1.72 FC1(F)CCCNC1 D36815 [0,1,0,0,0,1|1,0,0]=3 852 B8R1.72 FC1(F)CCCNC1 D7460 [0,1,0,0,0,1|1,0,0]=3 853 B8R1.72 FC1(F)CCNCC1 D41254 [0,1,0,0,0,1|1,0,0]=3 854 B8R1.72 FC1(F)CCNCC1 D6081 [0,1,0,0,0,1|1,0,0]=3 855 B8R1.72 O=S1(=O)CCCCN1 T40268 [0,1,0,0,0,1|1,1,0]=4 856 B8R1.72 O=S1(=O)CCCCO1 B69155 [0,1,0,0,0,1|1,1,0]=4 857 B8R1.72 O=S1(=O)CCNCC1 T12458 [0,1,0,0,0,1|1,1,0]=4 858 B8R1.72 O=S1(=O)CCNCC1 T7565 [0,1,0,0,0,1|1,1,0]=4 859 B8R1.72 O=S1(=O)CCOCC1 D40257 [0,1,0,0,0,1|1,1,0]=4 860 B8R1.72 OC1(O)CCNCC1 P0354 [0,1,0,0,0,1|0,1,0]=3 861 B8R1.1 CCN1CC[C@@H](N)C1 E29600 [0,2,0,0,0,0|2,0,0]=4 862 B8R1.1 CCN1CC[C@H](Cl)C1 C41542 [0,2,0,0,0,0|2,0,0]=4 863 B8R1.1 CCN1CC[C@H](N)C1 E29616 [0,2,0,0,0,0|2,0,0]=4 864 B8R1.1 CCN1CC[C@H](O)C1 E41574 [0,2,0,0,0,0|1,1,0]=4 865 B8R1.1 CN1CC[C@@H](CN)C1 M13066 [0,2,0,0,0,0|2,0,0]=4 866 B8R1.1 CN1CC[C@@H](CN)C1 M30093 [0,2,0,0,0,0|2,0,0]=4 867 B8R1.1 CN1CC[C@@H](CO)C1 H7261 [0,2,0,0,0,0|1,1,0]=4 868 B8R1.1 CN1CC[C@H](CN)C1 M13065 [0,2,0,0,0,0|2,0,0]=4 869 B8R1.1 CN1CC[C@H](CO)C1 H7260 [0,2,0,0,0,0|1,1,0]=4 870 B8R1.1 CN[C@@H]1CCN(C)C1 D25425 [0,2,0,0,0,0|2,0,0]=4 871 B8R1.1 CN[C@H]1CCN(C)C1 D1341 [0,2,0,0,0,0|2,0,0]=4 872 B8R1.1 CN[C@H]1CCN(C)C1 D25424 [0,2,0,0,0,0|2,0,0]=4 873 B8R1.1 CN[C@H]1CCN(C)C1 T24682 [0,2,0,0,0,0|2,0,0]=4 874 B8R1.1 COC1CCC(N)C1 M27196 [0,2,0,0,0,0|0,1,0]=3 875 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 H23845 [0,2,0,0,0,0|1,1,0]=4 876 B8R1.1 OC[C@@H]1C[C@H](O)CO1 H40394 [0,2,0,0,0,0|1,1,0]=4 877 B8R1.1 OC[C@H]1C[C@@H](O)CN1 H41336 [0,2,0,0,0,0|1,1,0]=4 878 B8R1.7 CC(=O)C1CCCC1 C69351 [0,2,0,0,0,0|0,1,0]=3 879 B8R1.7 CC(C)[C@@H]1CCCN1 P29867 [0,2,0,0,0,0|2,0,0]=4 880 B8R1.7 CC(C)[C@H]1CCCN1 P29967 [0,2,0,0,0,0|2,0,0]=4 881 B8R1.7 CC(O)C1CCNC1 P61134 [0,2,0,0,0,0|1,1,0]=4 882 B8R1.7 CN(C)[C@@H]1CCNC1 D41609 [0,2,0,0,0,0|2,0,0]=4 883 B8R1.7 CN(C)[C@@H]1CCNC1 D43563 [0,2,0,0,0,0|2,0,0]=4 884 B8R1.7 CN(C)[C@H]1CCNC1 D12657 [0,2,0,0,0,0|2,0,0]=4 885 B8R1.7 CN(C)[C@H]1CCNC1 D15773 [0,2,0,0,0,0|2,0,0]=4 886 B8R1.7 CN(C)[C@H]1CCNC1 D43562 [0,2,0,0,0,0|2,0,0]=4 887 B8R1.7 C[C@H](N)C1CCCC1 C31670 [0,2,0,0,0,0|1,0,0]=3 888 B8R1.7 FC(F)[C@@H]1CCCN1 D19357 [0,2,0,0,0,0|2,0,0]=4 889 B8R1.7 FC(F)[C@@H]1CCCN1 D19603 [0,2,0,0,0,0|2,0,0]=4 890 B8R1.7 FC(F)[C@H]1CCNC1 D19206 [0,2,0,0,0,0|2,0,0]=4 891 B8R1.7 N=C(N)[C@@H]1CCCN1 P69767 [0,2,0,0,0,0|2,0,0]=4 892 B8R1.7 N=C(N)[C@@H]1CCCO1 T41316 [0,2,0,0,0,0|2,0,0]=4 893 B8R1.7 NC(=O)[C@@H]1CCCN1 P23637 [0,2,0,0,0,0|1,1,0]=4 894 B8R1.7 NC(=O)[C@@H]1CCCN1 P64914 [0,2,0,0,0,0|1,1,0]=4 895 B8R1.7 NC(=O)[C@@H]1CCCN1 P67734 [0,2,0,0,0,0|1,1,0]=4 896 B8R1.7 NC(=O)[C@@H]1CCNC1 P0296 [0,2,0,0,0,0|1,1,0]=4 897 B8R1.7 NC(=O)[C@H]1CCCN1 P40370 [0,2,0,0,0,0|1,1,0]=4 898 B8R1.7 NC(=O)[C@H]1CCNC1 P0295 [0,2,0,0,0,0|1,1,0]=4 899 B8R1.7 NC(=O)[C@H]1CCNC1 P1146 [0,2,0,0,0,0|1,1,0]=4 900 B8R1.7 NC(=O)[C@H]1CCNC1 P7510 [0,2,0,0,0,0|1,1,0]=4 901 B8R1.7 NC(=O)[C@H]1CCNC1 P7511 [0,2,0,0,0,0|1,1,0]=4 902 B8R1.7 NC(=O)[C@H]1CCOC1 T11900 [0,2,0,0,0,0|1,1,0]=4 903 B8R1.7 O=C(Cl)[C@H]1CCOC1 T41177 [0,2,0,0,0,0|1,1,0]=4 904 B8R1.7 O=C(O)C1CCCC1 C23144 [0,2,0,0,0,0|0,1,0]=3 905 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [0,2,0,0,0,0|1,1,0]=4 906 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [0,2,0,0,0,0|1,1,0]=4 907 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [0,2,0,0,0,0|1,1,0]=4 908 B8R1.7 O=C(O)[C@@H]1CCCS1 T41225 [0,2,0,0,0,0|1,1,0]=4 909 B8R1.7 O=C(O)[C@@H]1CCNC1 P12309 [0,2,0,0,0,0|1,1,0]=4 910 B8R1.7 O=C(O)[C@@H]1CCNC1 P6961 [0,2,0,0,0,0|1,1,0]=4 911 B8R1.7 O=C(O)[C@@H]1CCOC1 T1673 [0,2,0,0,0,0|1,1,0]=4 912 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [0,2,0,0,0,0|1,1,0]=4 913 B8R1.7 O=C(O)[C@H]1CCNC1 P1152 [0,2,0,0,0,0|1,1,0]=4 914 B8R1.7 O=C(O)[C@H]1CCNC1 P1524 [0,2,0,0,0,0|1,1,0]=4 915 B8R1.7 O=C(O)[C@H]1CCNC1 P15767 [0,2,0,0,0,0|1,1,0]=4 916 B8R1.7 O=C(O)[C@H]1CCNC1 P41372 [0,2,0,0,0,0|1,1,0]=4 917 B8R1.7 O=C(O)[C@H]1CCOC1 T0394 [0,2,0,0,0,0|1,1,0]=4 918 B8R1.7 O=C(O)[C@H]1CCOC1 T0395 [0,2,0,0,0,0|1,1,0]=4 919 B8R1.7 OB(O)C1CCCC1 C2400 [0,2,0,0,0,0|0,1,0]=3 920 B8R1.8 C#CCN1CCCC1 P46471 [0,2,0,0,0,0|2,0,0]=4 921 B8R1.8 CCO[C@@H]1CCNC1 E13930 [0,2,0,0,0,0|1,1,0]=4 922 B8R1.8 CCO[C@H]1CCNC1 E14045 [0,2,0,0,0,0|1,1,0]=4 923 B8R1.8 CNC[C@H]1CCOC1 M1347 [0,2,0,0,0,0|2,0,0]=4 924 B8R1.8 COC[C@@H]1CCCN1 M14243 [0,2,0,0,0,0|1,1,0]=4 925 B8R1.8 COC[C@@H]1CCNC1 M14792 [0,2,0,0,0,0|1,1,0]=4 926 B8R1.8 COC[C@@H]1CCNC1 M31656 [0,2,0,0,0,0|1,1,0]=4 927 B8R1.8 COC[C@H]1CCCN1 M14242 [0,2,0,0,0,0|1,1,0]=4 928 B8R1.8 COC[C@H]1CCNC1 M14793 [0,2,0,0,0,0|1,1,0]=4 929 B8R1.8 COC[C@H]1CCNC1 M26667 [0,2,0,0,0,0|1,1,0]=4 930 B8R1.8 COC[C@H]1CCNC1 M41581 [0,2,0,0,0,0|1,1,0]=4 931 B8R1.8 ClCCN1CCCC1 C41544 [0,2,0,0,0,0|2,0,0]=4 932 B8R1.8 N#CCN1CCCC1 C43583 [0,2,0,0,0,0|2,0,0]=4 933 B8R1.8 N#CCN1CCCC1 P38197 [0,2,0,0,0,0|2,0,0]=4 934 B8R1.8 NCCC1CCCC1 C46503 [0,2,0,0,0,0|1,0,0]=3 935 B8R1.8 NCCN1CCCC1 P41605 [0,2,0,0,0,0|2,0,0]=4 936 B8R1.8 NCC[C@H]1CCCO1 T1128 [0,2,0,0,0,0|2,0,0]=4 937 B8R1.8 OCC[C@H]1CCCN1 P11010 [0,2,0,0,0,0|1,1,0]=4 938 B8R1.8 OCC[C@H]1CCNC1 P29904 [0,2,0,0,0,0|1,1,0]=4 939 B8R1.8 [N-]=[N+]=NC1CCCC1 A5984 [0,2,0,0,0,0|1,0,0]=3 940 B8R1.8 [N-]=[N+]=N[C@H]1CCOC1 A3365 [0,2,0,0,0,0|2,0,0]=4 941 B8R1.11 CC[C@H]1CCCC1=O E43799 [0,2,0,0,0,0|0,1,1]=4 942 B8R1.11 CN1CCC[C@@H]1CN M8172 [0,2,0,0,0,0|2,0,0]=4 943 B8R1.11 CN1CCC[C@@H]1CO M14129 [0,2,0,0,0,0|1,1,0]=4 944 B8R1.11 CN1CCC[C@@H]1CO M41582 [0,2,0,0,0,0|1,1,0]=4 945 B8R1.11 CN1CCC[C@H]1CBr B41540 [0,2,0,0,0,0|2,0,0]=4 946 B8R1.11 CN1CCC[C@H]1CN M0297 [0,2,0,0,0,0|2,0,0]=4 947 B8R1.11 CN1CCC[C@H]1CN M43564 [0,2,0,0,0,0|2,0,0]=4 948 B8R1.11 CN1CCC[C@H]1CO M12480 [0,2,0,0,0,0|1,1,0]=4 949 B8R1.11 CO[C@@H]1CNC[C@@H]1O M23798 [0,2,0,0,0,0|1,1,0]=4 950 B8R1.11 CO[C@@H]1CNC[C@H]1F F11644 [0,2,0,0,0,0|1,1,0]=4 951 B8R1.11 CO[C@@H]1CNC[C@H]1O M11642 [0,2,0,0,0,0|1,1,0]=4 952 B8R1.11 CO[C@H]1CCC[C@H]1N M60050 [0,2,0,0,0,0|0,1,0]=3 953 B8R1.11 CO[C@H]1CNC[C@H]1O M59760 [0,2,0,0,0,0|1,1,0]=4 954 B8R1.11 C[C@@H]1CNC[C@H]1CO M41583 [0,2,0,0,0,0|1,1,0]=4 955 B8R1.11 C[C@H]1CNC[C@@H]1CO M60070 [0,2,0,0,0,0|1,1,0]=4 956 B8R1.11 N#C[C@@H]1CCC[C@@H]1N A13659 [0,2,0,0,0,0|1,0,0]=3 957 B8R1.11 N#C[C@H]1CCC[C@H]1N A20201 [0,2,0,0,0,0|1,0,0]=3 958 B8R1.11 NC[C@@H]1COC[C@H]1O A20782 [0,2,0,0,0,0|1,1,0]=4 959 B8R1.11 NC[C@H]1COC[C@H]1O A20734 [0,2,0,0,0,0|1,1,0]=4 960 B8R1.11 O=C1CCC[C@@H]1CO H41464 [0,2,0,0,0,0|0,1,1]=4 961 B8R1.52 C#C[C@]1(O)CCOC1 E15001 [0,2,0,0,0,0|1,1,0]=4 962 B8R1.52 CC[N+]1(C)CCCC1 E46620 [0,2,0,0,0,0|2,0,0]=4 963 B8R1.52 C[C@@]1(CO)CCCN1 M27669 [0,2,0,0,0,0|1,1,0]=4 964 B8R1.52 C[C@]1(C#N)CCNC1 C13548 [0,2,0,0,0,0|2,0,0]=4 965 B8R1.52 C[C@]1(CBr)CCOC1 B13265 [0,2,0,0,0,0|2,0,0]=4 966 B8R1.52 C[C@]1(CN)CCCO1 M31869 [0,2,0,0,0,0|2,0,0]=4 967 B8R1.52 C[C@]1(CN)CCNC1 M1124 [0,2,0,0,0,0|2,0,0]=4 968 B8R1.52 C[C@]1(CN)CCOC1 A11774 [0,2,0,0,0,0|2,0,0]=4 969 B8R1.52 C[C@]1(CO)CCCN1 M27670 [0,2,0,0,0,0|1,1,0]=4 970 B8R1.52 C[C@]1(CO)CCOC1 M13264 [0,2,0,0,0,0|1,1,0]=4 971 B8R1.52 NCC1(F)CCCC1 F60053 [0,2,0,0,0,0|1,0,0]=3 972 B8R1.52 NCC1(O)CCCC1 A1151 [0,2,0,0,0,0|0,1,0]=3 973 B8R1.52 NCC1(O)CCCC1 A43483 [0,2,0,0,0,0|0,1,0]=3 974 B8R1.52 N[C@@]1(CO)CCOC1 A11595 [0,2,0,0,0,0|1,1,0]=4 975 B8R1.52 OC[C@]1(O)CCNC1 H14632 [0,2,0,0,0,0|1,1,0]=4 976 B8R1.52 OC[C@]1(O)CCNC1 H31243 [0,2,0,0,0,0|1,1,0]=4 977 B8R1.52 O[C@@]1(CF)CCNC1 F27103 [0,2,0,0,0,0|1,1,0]=4 978 B8R1.51 CC1(C)C[C@H](O)CN1 D60304 [0,2,0,0,0,0|1,1,0]=4 979 B8R1.51 CC1(O)CCC(N)C1 H14948 [0,2,0,0,0,0|0,1,0]=3 980 B8R1.51 N[C@@H]1CCC(F)(F)C1 D11726 [0,2,0,0,0,0|1,0,0]=3 981 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 A64489 [0,2,0,0,0,0|1,1,0]=4 982 B8R1.51 N[C@H]1CCC(F)(F)C1 D11724 [0,2,0,0,0,0|1,0,0]=3 983 B8R1.51 N[C@H]1CCC(F)(F)C1 D7892 [0,2,0,0,0,0|1,0,0]=3 984 B8R1.51 N[C@H]1CCS(=O)(=O)C1 A12453 [0,2,0,0,0,0|1,1,0]=4 985 B8R1.51 N[C@H]1CCS(=O)(=O)C1 A24037 [0,2,0,0,0,0|1,1,0]=4 986 B8R1.51 N[C@H]1CCS(=O)(=O)C1 A64487 [0,2,0,0,0,0|1,1,0]=4 987 B8R1.51 O[C@@H]1CCC(F)(F)C1 D59655 [0,2,0,0,0,0|0,1,0]=3 988 B8R1.51 O[C@H]1CCC(F)(F)C1 D26064 [0,2,0,0,0,0|0,1,0]=3 989 B8R1.51 O[C@H]1CCC(F)(F)C1 D59656 [0,2,0,0,0,0|0,1,0]=3 990 B8R1.19 C[C@H]1CNCC1(F)F D29727 [0,2,0,0,0,0|2,0,0]=4 991 B8R1.19 O[C@@H]1CNCC1(F)F D59712 [0,2,0,0,0,0|1,1,0]=4 992 B8R1.19 O[C@H]1CNCC1(F)F D21280 [0,2,0,0,0,0|1,1,0]=4 993 B6R1.3 CNCC1CC1 C25333 [0,0,1,1,0,0|2,0,0]=4 994 B6R1.3 ICCC1CC1 I23113 [0,0,1,1,0,0|2,0,0]=4 995 B6R1.3 NCCC1CC1 C7864 [0,0,1,1,0,0|2,0,0]=4 996 B6R1.3 OCCC1CC1 C7861 [0,0,1,1,0,0|2,0,0]=4 997 B6R1.9 CC1(C)C[C@@H]1Br B60254 [0,0,1,1,0,0|2,0,0]=4 998 B6R1.11 C[C@@H](N)C1CC1 C61147 [0,0,1,1,0,0|1,0,0]=3 999 B6R1.11 C[C@H](N)C1CC1 C41318 [0,0,1,1,0,0|1,0,0]=3 1000 B6R1.1 C1CCNCC1 P67647 [0,0,1,1,0,0|1,0,0]=3 1001 B6R1.1 C1CCNNC1 H8288 [0,0,1,1,0,0|2,0,0]=4 1002 B6R1.1 C1CCONC1 X13780 [0,0,1,1,0,0|1,1,0]=4 1003 B6R1.1 C1CCONC1 X40342 [0,0,1,1,0,0|1,1,0]=4 1004 B6R1.1 C1CNCOC1 X40263 [0,0,1,1,0,0|1,1,0]=4 1005 B6R1.1 C1CSCCN1 T17901 [0,0,1,1,0,0|1,0,0]=3 1006 B6R1.7 CC1(CN)CC1 M41319 [0,0,1,1,0,0|2,0,0]=4 1007 B6R1.7 CC1(CO)CC1 M29792 [0,0,1,1,0,0|2,0,0]=4 1008 B6R1.7 CCC1(N)CC1 E29724 [0,0,1,1,0,0|1,0,0]=3 1009 B6R1.7 NC1(CO)CC1 A1400 [0,0,1,1,0,0|2,0,0]=4 1010 B6R1.7 NC1(CO)CC1 A16823 [0,0,1,1,0,0|2,0,0]=4 1011 B6R1.7 NCC1(F)CC1 F60284 [0,0,1,1,0,0|2,0,0]=4 1012 B6R1.7 NCC1(O)CC1 A13658 [0,0,1,1,0,0|1,1,0]=4 1013 B8R2.11 NC1C2COCC12 X38891 [0,0,0,1,0,1|1,0,0]=3 1014 B8R2.11 N[C@@H]1[C@H]2COC[C@H]21 A13626 [0,0,0,1,0,1|1,0,0]=3 1015 B8R2.11 O[C@H]1[C@@H]2CNC[C@H]12 A27611 [0,0,0,1,0,1|0,1,0]=3 1016 B8R2.18 NC1CC2CC2C1 B11091 [0,0,0,1,0,1|1,0,0]=3 1017 B8R2.18 O=C1CC2CC2C1 B43299 [0,0,0,1,0,1|0,1,1]=4 1018 B8R2.23 C1NCC2CC1C2 A31840 [0,0,0,1,0,1|1,0,0]=3 1019 B8R2.23 C1NCC2CC1O2 X15474 [0,0,0,1,0,1|0,1,0]=3 1020 B8R2.23 C1NCC2CC1O2 X19506 [0,0,0,1,0,1|0,1,0]=3 1021 B8R2.23 C1OCC2CC1N2 X30108 [0,0,0,1,0,1|1,0,0]=3 1022 B8R2.25 C1CC2OC2CO1 D13598 [0,0,0,1,0,1|0,1,0]=3 1023 B8R2.25 C1CNC2CC2N1 D60443 [0,0,0,1,0,1|2,0,0]=4 1024 B8R2.25 C1COC2CC2N1 X41370 [0,0,0,1,0,1|2,0,0]=4 1025 B8R2.34 C1CC2CCC1N2 A0698 [0,0,0,1,0,1|1,0,0]=3 1026 B8R2.34 C1CC2CCC1N2 A8159 [0,0,0,1,0,1|1,0,0]=3 1027 B8R2.34 C1OC2CNC1C2 X26396 [0,0,0,1,0,1|2,0,0]=4 1028 B8R2.34 C1O[C@@H]2CN[C@H]1C2 X11751 [0,0,0,1,0,1|2,0,0]=4 1029 B8R2.34 C1O[C@@H]2CN[C@H]1C2 X14975 [0,0,0,1,0,1|2,0,0]=4 1030 B8R2.34 C1O[C@@H]2CN[C@H]1C2 X20221 [0,0,0,1,0,1|2,0,0]=4 1031 B8R2.34 C1O[C@H]2CN[C@@H]1C2 X11749 [0,0,0,1,0,1|2,0,0]=4 1032 B8R2.34 C1O[C@H]2CN[C@@H]1C2 X11750 [0,0,0,1,0,1|2,0,0]=4 1033 B8R2.34 C1O[C@H]2CN[C@@H]1C2 X20220 [0,0,0,1,0,1|2,0,0]=4 1034 B8R2.22 C1CC2CNCC12 A11809 [0,1,0,1,0,0|2,0,0]=4 1035 B8R2.22 C1CC2CNCC12 A15175 [0,1,0,1,0,0|2,0,0]=4 1036 B8R2.55 C1CC2(CC2)CN1 A8605 [0,1,0,1,0,0|2,0,0]=4 1037 B8R2.55 C1CNC2(C1)CC2 A8604 [0,1,0,1,0,0|2,0,0]=4 1038 B4R1.1 C1CNC1 A1584 [1,0,0,0,1,0|1,0,0]=3 1039 B4R1.1 C1CNC1 A31833 [1,0,0,0,1,0|1,0,0]=3 1040 B4R1.2 BrC1CC1 B23669 [0,0,0,0,2,0|1,0,0]=3 1041 B4R1.2 C[C@@H]1CN1 M6947 [0,0,0,0,2,0|2,0,0]=4 1042 B4R1.2 C[C@H]1CN1 M6944 [0,0,0,0,2,0|2,0,0]=4 1043 B4R1.2 OC1CC1 C21681 [0,0,0,0,2,0|0,1,0]=3 1044 B8R1.22 CN1CCCNCC1 M1344 [0,0,0,0,0,2|2,0,0]=4 1045 B8R1.22 C[C@H]1CCNCCN1 M13937 [0,0,0,0,0,2|1,0,0]=3 1046 B8R1.22 F[C@H]1CCCNCC1 F12235 [0,0,0,0,0,2|1,0,0]=3 1047 B8R1.22 N[C@@H]1CCCCNC1 A14699 [0,0,0,0,0,2|1,0,0]=3 1048 B8R1.22 N[C@H]1CCCCNC1 A41604 [0,0,0,0,0,2|1,0,0]=3 1049 B8R1.22 O=C1C=CCCCC1 C67890 [0,0,0,0,0,2|0,1,1]=4 1050 B8R1.22 O=C1CCCNCC1 H12307 [0,0,0,0,0,2|0,1,1]=4 1051 B8R1.22 O=C1CCOCCN1 X16165 [0,0,0,0,0,2|0,1,1]=4 1052 B8R1.22 O=C1CCSCCN1 T6235 [0,0,0,0,0,2|0,1,1]=4 1053 B8R1.22 O=C1CNCCCN1 D38834 [0,0,0,0,0,2|0,1,1]=4 1054 B8R1.22 O[C@H]1CCCNCC1 H12234 [0,0,0,0,0,2|0,1,0]=3