0 B6R1.2 Br[C@H]1CCNC1 B40246 [0,0,0,0,0,0|4,0,0]=4 1 B6R1.2 Br[C@H]1CCOC1 B0393 [0,0,0,0,0,0|4,0,0]=4 2 B6R1.2 CC1=CC=CS1 M39179 [0,0,0,0,0,0|1,0,3]=4 3 B6R1.2 CC1=CN=CS1 M40166 [0,0,0,0,0,0|2,0,2]=4 4 B6R1.2 CC1=NC=CS1 M40165 [0,0,0,0,0,0|1,0,3]=4 5 B6R1.2 CC1=NCCC1 M41239 [0,0,0,0,0,0|2,0,1]=3 6 B6R1.2 C[C@@H]1CCCN1 M23610 [0,0,0,0,0,0|2,0,0]=2 7 B6R1.2 C[C@@H]1CCNC1 M22540 [0,0,0,0,0,0|3,0,0]=3 8 B6R1.2 C[C@H]1CCCN1 M21836 [0,0,0,0,0,0|2,0,0]=2 9 B6R1.2 C[C@H]1CCCN1 M24199 [0,0,0,0,0,0|2,0,0]=2 10 B6R1.2 C[C@H]1CCCN1 M24435 [0,0,0,0,0,0|2,0,0]=2 11 B6R1.2 C[C@H]1CCNC1 M22012 [0,0,0,0,0,0|3,0,0]=3 12 B6R1.2 C[C@H]1CCNC1 M69520 [0,0,0,0,0,0|3,0,0]=3 13 B6R1.2 F[C@@H]1CCNC1 F7494 [0,0,0,0,0,0|4,0,0]=4 14 B6R1.2 F[C@H]1CCNC1 F0136 [0,0,0,0,0,0|4,0,0]=4 15 B6R1.2 F[C@H]1CCNC1 F7493 [0,0,0,0,0,0|4,0,0]=4 16 B6R1.2 IC1CCCC1 I20419 [0,0,0,0,0,0|3,0,0]=3 17 B6R1.2 I[C@@H]1CCOC1 I1538 [0,0,0,0,0,0|4,0,0]=4 18 B6R1.2 I[C@H]1CCOC1 I0392 [0,0,0,0,0,0|4,0,0]=4 19 B6R1.2 I[C@H]1CCOC1 I1672 [0,0,0,0,0,0|4,0,0]=4 20 B6R1.2 NC1=NCCC1 D38561 [0,0,0,0,0,0|3,0,1]=4 21 B6R1.2 N[C@@H]1CCNC1 P16877 [0,0,0,0,0,0|4,0,0]=4 22 B6R1.2 N[C@@H]1CCNC1 P16878 [0,0,0,0,0,0|4,0,0]=4 23 B6R1.2 N[C@@H]1CCOC1 A7431 [0,0,0,0,0,0|4,0,0]=4 24 B6R1.2 N[C@@H]1CCOC1 X16388 [0,0,0,0,0,0|4,0,0]=4 25 B6R1.2 N[C@H]1CCNC1 P16879 [0,0,0,0,0,0|4,0,0]=4 26 B6R1.2 N[C@H]1CCNC1 P68854 [0,0,0,0,0,0|4,0,0]=4 27 B6R1.2 N[C@H]1CCOC1 A0023 [0,0,0,0,0,0|4,0,0]=4 28 B6R1.2 N[C@H]1CCOC1 A7432 [0,0,0,0,0,0|4,0,0]=4 29 B6R1.2 N[C@H]1CCOC1 T40344 [0,0,0,0,0,0|4,0,0]=4 30 B6R1.2 N[C@H]1CCOC1 X22238 [0,0,0,0,0,0|4,0,0]=4 31 B6R1.2 O=C1NCCN1 K62398 [0,0,0,0,0,0|3,0,1]=4 32 B6R1.2 O=C1NCCS1 T39859 [0,0,0,0,0,0|2,0,1]=3 33 B6R1.2 O[C@@H]1CCNC1 H7458 [0,0,0,0,0,0|4,0,0]=4 34 B6R1.2 O[C@@H]1CCNC1 P4643 [0,0,0,0,0,0|4,0,0]=4 35 B6R1.2 O[C@@H]1CCOC1 H7563 [0,0,0,0,0,0|4,0,0]=4 36 B6R1.2 O[C@H]1CCNC1 H0275 [0,0,0,0,0,0|4,0,0]=4 37 B6R1.2 O[C@H]1CCNC1 H7496 [0,0,0,0,0,0|4,0,0]=4 38 B6R1.2 O[C@H]1CCNC1 P0679 [0,0,0,0,0,0|4,0,0]=4 39 B6R1.2 O[C@H]1CCOC1 H0466 [0,0,0,0,0,0|4,0,0]=4 40 B6R1.2 O[C@H]1CCOC1 H10322 [0,0,0,0,0,0|4,0,0]=4 41 B6R1.2 [Mg+][C@H]1CCOC1 T2962 [0,0,0,0,0,0|4,0,0]=4 42 B5R1.1 C1=CCNC1 D40328 [1,0,0,0,0,0|2,0,1]=4 43 B5R1.1 C1CNNC1 P39938 [1,0,0,0,0,0|3,0,0]=4 44 B5R1.1 C1CSCN1 T38217 [1,0,0,0,0,0|1,0,0]=2 45 B5R1.1 C1CSCN1 T60563 [1,0,0,0,0,0|1,0,0]=2 46 B7R1.1 BrCC1=CCCC1 B7551 [0,1,0,0,0,0|2,0,1]=4 47 B7R1.1 BrCC1CCCC1 B23399 [0,1,0,0,0,0|2,0,0]=3 48 B7R1.1 BrC[C@H]1CCCO1 B17294 [0,1,0,0,0,0|1,1,0]=3 49 B7R1.1 BrC[C@H]1CCOC1 T0399 [0,1,0,0,0,0|3,0,0]=4 50 B7R1.1 CC[C@@H]1CCNC1 E22541 [0,1,0,0,0,0|3,0,0]=4 51 B7R1.1 CC[C@H]1CCNC1 E22542 [0,1,0,0,0,0|3,0,0]=4 52 B7R1.1 CN[C@@H]1CCOC1 M15031 [0,1,0,0,0,0|3,0,0]=4 53 B7R1.1 CN[C@H]1CCOC1 M1156 [0,1,0,0,0,0|3,0,0]=4 54 B7R1.1 COC1=NCCC1 M69559 [0,1,0,0,0,0|2,0,1]=4 55 B7R1.1 CO[C@@H]1CCNC1 M0200 [0,1,0,0,0,0|3,0,0]=4 56 B7R1.1 CO[C@@H]1CCNC1 M12251 [0,1,0,0,0,0|3,0,0]=4 57 B7R1.1 CO[C@H]1CCNC1 M1159 [0,1,0,0,0,0|3,0,0]=4 58 B7R1.1 CO[C@H]1CCNC1 M7459 [0,1,0,0,0,0|3,0,0]=4 59 B7R1.1 ClCC1=NCCN1 C69471 [0,1,0,0,0,0|2,0,1]=4 60 B7R1.1 FC[C@@H]1CCCN1 F1127 [0,1,0,0,0,0|2,0,0]=3 61 B7R1.1 FC[C@@H]1CCNC1 F60420 [0,1,0,0,0,0|3,0,0]=4 62 B7R1.1 FC[C@H]1CCCN1 F12954 [0,1,0,0,0,0|2,0,0]=3 63 B7R1.1 IC[C@H]1CCOC1 I12451 [0,1,0,0,0,0|3,0,0]=4 64 B7R1.1 N#C[C@@H]1CCCN1 C10155 [0,1,0,0,0,0|2,0,1]=4 65 B7R1.1 N#C[C@@H]1CCCN1 C10523 [0,1,0,0,0,0|2,0,1]=4 66 B7R1.1 N#C[C@@H]1CCCN1 C12934 [0,1,0,0,0,0|2,0,1]=4 67 B7R1.1 N#C[C@@H]1CCCN1 C12935 [0,1,0,0,0,0|2,0,1]=4 68 B7R1.1 N#C[C@H]1CCCN1 C10524 [0,1,0,0,0,0|2,0,1]=4 69 B7R1.1 N#C[C@H]1CCCN1 C12936 [0,1,0,0,0,0|2,0,1]=4 70 B7R1.1 NCC1CCCC1 C5395 [0,1,0,0,0,0|2,0,0]=3 71 B7R1.1 NC[C@@H]1CCCN1 A7822 [0,1,0,0,0,0|2,0,0]=3 72 B7R1.1 NC[C@@H]1CCCO1 T25038 [0,1,0,0,0,0|1,1,0]=3 73 B7R1.1 NC[C@@H]1CCOC1 T10325 [0,1,0,0,0,0|3,0,0]=4 74 B7R1.1 NC[C@@H]1CCOC1 T1675 [0,1,0,0,0,0|3,0,0]=4 75 B7R1.1 NC[C@H]1CCCN1 A60830 [0,1,0,0,0,0|2,0,0]=3 76 B7R1.1 NC[C@H]1CCOC1 T10324 [0,1,0,0,0,0|3,0,0]=4 77 B7R1.1 NC[C@H]1CCOC1 T1153 [0,1,0,0,0,0|3,0,0]=4 78 B7R1.1 NC[C@H]1CCOC1 T1674 [0,1,0,0,0,0|3,0,0]=4 79 B7R1.1 NC[C@H]1CCOC1 T7262 [0,1,0,0,0,0|3,0,0]=4 80 B7R1.1 NNC1CCCC1 C22580 [0,1,0,0,0,0|3,0,0]=4 81 B7R1.1 O=CC1CCCC1 C25963 [0,1,0,0,0,0|2,0,1]=4 82 B7R1.1 OCC1CCCC1 C23297 [0,1,0,0,0,0|2,0,0]=3 83 B7R1.1 OCC1OCCO1 D40256 [0,1,0,0,0,0|0,2,0]=3 84 B7R1.1 OC[C@@H]1CCCN1 P1125 [0,1,0,0,0,0|2,0,0]=3 85 B7R1.1 OC[C@@H]1CCCN1 P1542 [0,1,0,0,0,0|2,0,0]=3 86 B7R1.1 OC[C@@H]1CCCO1 T40383 [0,1,0,0,0,0|1,1,0]=3 87 B7R1.1 OC[C@@H]1CCNC1 H11286 [0,1,0,0,0,0|3,0,0]=4 88 B7R1.1 OC[C@@H]1CCNC1 P1348 [0,1,0,0,0,0|3,0,0]=4 89 B7R1.1 OC[C@@H]1CCOC1 T0397 [0,1,0,0,0,0|3,0,0]=4 90 B7R1.1 OC[C@H]1CCCN1 P14128 [0,1,0,0,0,0|2,0,0]=3 91 B7R1.1 OC[C@H]1CCCN1 P67898 [0,1,0,0,0,0|2,0,0]=3 92 B7R1.1 OC[C@H]1CCCO1 T67581 [0,1,0,0,0,0|1,1,0]=3 93 B7R1.1 OC[C@H]1CCCO1 T68627 [0,1,0,0,0,0|1,1,0]=3 94 B7R1.1 OC[C@H]1CCNC1 H1594 [0,1,0,0,0,0|3,0,0]=4 95 B7R1.1 OC[C@H]1CCNC1 H7915 [0,1,0,0,0,0|3,0,0]=4 96 B7R1.1 OC[C@H]1CCNC1 P1155 [0,1,0,0,0,0|3,0,0]=4 97 B7R1.1 OC[C@H]1CCNC1 P41328 [0,1,0,0,0,0|3,0,0]=4 98 B7R1.1 OC[C@H]1CCNC1 P6954 [0,1,0,0,0,0|3,0,0]=4 99 B7R1.1 OC[C@H]1CCOC1 T0396 [0,1,0,0,0,0|3,0,0]=4 100 B7R1.1 OC[C@H]1CCOC1 T0398 [0,1,0,0,0,0|3,0,0]=4 101 B7R1.2 CN1CC[C@@H](N)C1 M0134 [0,1,0,0,0,0|3,0,0]=4 102 B7R1.2 CN1CC[C@@H](O)C1 H0285 [0,1,0,0,0,0|3,0,0]=4 103 B7R1.2 CN1CC[C@H](N)C1 M0133 [0,1,0,0,0,0|3,0,0]=4 104 B7R1.2 CN1CC[C@H](N)C1 M0135 [0,1,0,0,0,0|3,0,0]=4 105 B7R1.2 CN1CC[C@H](O)C1 H0283 [0,1,0,0,0,0|3,0,0]=4 106 B7R1.2 CN1CC[C@H](O)C1 H0284 [0,1,0,0,0,0|3,0,0]=4 107 B7R1.2 C[C@@H]1CC[C@@H](C)N1 D60301 [0,1,0,0,0,0|2,0,0]=3 108 B7R1.2 C[C@@H]1C[C@H](O)CN1 M29502 [0,1,0,0,0,0|2,0,0]=3 109 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [0,1,0,0,0,0|2,0,1]=4 110 B7R1.2 C[C@H]1C[C@H](O)CN1 M29501 [0,1,0,0,0,0|2,0,0]=3 111 B7R1.2 NC1CCC(O)C1 A1764 [0,1,0,0,0,0|3,0,0]=4 112 B7R1.2 N[C@@H]1CC[C@@H](O)C1 A27718 [0,1,0,0,0,0|3,0,0]=4 113 B7R1.2 N[C@@H]1CC[C@H](O)C1 A11831 [0,1,0,0,0,0|3,0,0]=4 114 B7R1.2 N[C@@H]1CC[C@H](O)C1 A18160 [0,1,0,0,0,0|3,0,0]=4 115 B7R1.2 N[C@H]1CC[C@@H](F)C1 F60334 [0,1,0,0,0,0|3,0,0]=4 116 B7R1.2 N[C@H]1CC[C@@H](N)C1 C41386 [0,1,0,0,0,0|3,0,0]=4 117 B7R1.2 N[C@H]1CC[C@@H](O)C1 A18401 [0,1,0,0,0,0|3,0,0]=4 118 B7R1.2 N[C@H]1CC[C@H](N)C1 C41388 [0,1,0,0,0,0|3,0,0]=4 119 B7R1.2 N[C@H]1CC[C@H](O)C1 A11832 [0,1,0,0,0,0|3,0,0]=4 120 B7R1.2 N[C@H]1CC[C@H](O)C1 A20210 [0,1,0,0,0,0|3,0,0]=4 121 B7R1.2 OC1CCC(O)C1 C24450 [0,1,0,0,0,0|3,0,0]=4 122 B7R1.2 O[C@@H]1CC[C@@H](O)C1 C20800 [0,1,0,0,0,0|3,0,0]=4 123 B7R1.2 O[C@H]1CC[C@@H](O)C1 C20799 [0,1,0,0,0,0|3,0,0]=4 124 B7R1.4 CN1CCCC1=S M6872 [0,1,0,0,0,0|3,0,0]=4 125 B7R1.4 C[C@@H]1CNC[C@@H]1O M22730 [0,1,0,0,0,0|3,0,0]=4 126 B7R1.4 C[C@@H]1COC[C@H]1N F30099 [0,1,0,0,0,0|3,0,0]=4 127 B7R1.4 C[C@@H]1OCCC1=O M41223 [0,1,0,0,0,0|1,1,0]=3 128 B7R1.4 C[C@H]1CCCC1=O M41458 [0,1,0,0,0,0|2,0,0]=3 129 B7R1.4 C[C@H]1CCNC1=O M41257 [0,1,0,0,0,0|3,0,0]=4 130 B7R1.4 C[C@H]1CCOC1=O M41224 [0,1,0,0,0,0|3,0,0]=4 131 B7R1.4 NC1CCCC1O A40401 [0,1,0,0,0,0|3,0,0]=4 132 B7R1.4 N[C@@H]1CCC[C@@H]1O A67556 [0,1,0,0,0,0|3,0,0]=4 133 B7R1.4 N[C@@H]1CCC[C@H]1F F59997 [0,1,0,0,0,0|3,0,0]=4 134 B7R1.4 N[C@@H]1CCC[C@H]1N C41387 [0,1,0,0,0,0|3,0,0]=4 135 B7R1.4 N[C@@H]1CCC[C@H]1O A27146 [0,1,0,0,0,0|3,0,0]=4 136 B7R1.4 N[C@@H]1CCC[C@H]1O A40405 [0,1,0,0,0,0|3,0,0]=4 137 B7R1.4 N[C@@H]1CCC[C@H]1O A41326 [0,1,0,0,0,0|3,0,0]=4 138 B7R1.4 N[C@H]1CCC[C@@H]1O A24888 [0,1,0,0,0,0|3,0,0]=4 139 B7R1.4 N[C@H]1CCC[C@H]1O A41327 [0,1,0,0,0,0|3,0,0]=4 140 B7R1.4 O[C@@H]1CCC[C@H]1O C67710 [0,1,0,0,0,0|3,0,0]=4 141 B7R1.14 CC1(C)CCCN1 D24602 [0,1,0,0,0,0|2,0,0]=3 142 B7R1.14 CC1(C)CCNC1 D1149 [0,1,0,0,0,0|3,0,0]=4 143 B7R1.14 CC1(O)CCCC1 M41551 [0,1,0,0,0,0|2,0,0]=3 144 B7R1.14 C[C@@]1(O)CCNC1 M23456 [0,1,0,0,0,0|3,0,0]=4 145 B7R1.14 C[C@]1(F)CCNC1 F29656 [0,1,0,0,0,0|3,0,0]=4 146 B7R1.14 C[C@]1(N)CCOC1 A11772 [0,1,0,0,0,0|3,0,0]=4 147 B7R1.14 C[C@]1(O)CCNC1 H0280 [0,1,0,0,0,0|3,0,0]=4 148 B7R1.14 C[C@]1(O)CCNC1 M10113 [0,1,0,0,0,0|3,0,0]=4 149 B7R1.14 C[C@]1(O)CCNC1 M18574 [0,1,0,0,0,0|3,0,0]=4 150 B7R1.14 C[C@]1(O)CCNC1 M59983 [0,1,0,0,0,0|3,0,0]=4 151 B5R0.1 C=C(C)OCC E5573 [0,0,1,0,0,0|1,1,1]=4 152 B5R0.1 CC#C[C@H](C)O B1790 [0,0,1,0,0,0|1,1,1]=4 153 B5R0.1 CCC[C@@H](C)N P16023 [0,0,1,0,0,0|2,0,0]=3 154 B5R0.1 CCC[C@H](C)N P22363 [0,0,1,0,0,0|2,0,0]=3 155 B5R0.1 CCOC(C)=N E68065 [0,0,1,0,0,0|1,1,1]=4 156 B5R0.1 COC[C@@H](C)N M40311 [0,0,1,0,0,0|3,0,0]=4 157 B5R0.1 COC[C@@H](C)O M39959 [0,0,1,0,0,0|2,1,0]=4 158 B5R0.1 COC[C@H](C)O M61064 [0,0,1,0,0,0|2,1,0]=4 159 B5R0.1 C[C@@H](N)CCO A10772 [0,0,1,0,0,0|3,0,0]=4 160 B5R0.1 C[C@H](N)CCO A10771 [0,0,1,0,0,0|3,0,0]=4 161 B5R0.1 C[C@H](N)CCO A39964 [0,0,1,0,0,0|3,0,0]=4 162 B5R0.1 C[C@H](O)CCO B68917 [0,0,1,0,0,0|2,1,0]=4 163 B5R0.2 BrCCCCBr D69410 [0,0,1,0,0,0|3,0,0]=4 164 B5R0.2 CCCCON B40310 [0,0,1,0,0,0|3,0,0]=4 165 B5R0.2 CNCCCCl C39954 [0,0,1,0,0,0|3,0,0]=4 166 B5R0.2 CNCCCO M36844 [0,0,1,0,0,0|2,1,0]=4 167 B5R0.2 COCCCBr B68335 [0,0,1,0,0,0|3,0,0]=4 168 B5R0.2 COCCCO M69411 [0,0,1,0,0,0|2,1,0]=4 169 B5R0.2 ClCCCCI C40239 [0,0,1,0,0,0|3,0,0]=4 170 B5R0.2 ICCCCI D37834 [0,0,1,0,0,0|3,0,0]=4 171 B5R0.2 NCCCCBr B39952 [0,0,1,0,0,0|3,0,0]=4 172 B5R0.2 NCCCCN D39162 [0,0,1,0,0,0|3,0,0]=4 173 B5R0.2 OCCCCBr B67330 [0,0,1,0,0,0|2,1,0]=4 174 B5R0.3 CCC(N)CC P40440 [0,0,1,0,0,0|3,0,0]=4 175 B5R0.3 CO[C@@H](C)CN M40313 [0,0,1,0,0,0|2,1,0]=4 176 B5R0.3 CO[C@@H](C)CO M68380 [0,0,1,0,0,0|2,1,0]=4 177 B5R0.3 CO[C@H](C)CN M40312 [0,0,1,0,0,0|2,1,0]=4 178 B5R0.3 CO[C@H](C)CO M68381 [0,0,1,0,0,0|2,1,0]=4 179 B7R2.11 C1NC2CC1C2 A10797 [0,0,0,1,0,0|2,0,0]=3 180 B7R2.11 C1NC2CC1C2 A6593 [0,0,0,1,0,0|2,0,0]=3 181 B7R2.13 C1CC2CC2N1 A13958 [0,0,0,1,0,0|2,0,0]=3 182 B7R2.13 C1CC2CC2N1 A25593 [0,0,0,1,0,0|2,0,0]=3 183 B7R2.13 C1NCC2CC12 A13737 [0,0,0,1,0,0|3,0,0]=4 184 B7R2.13 C1NCC2CC12 A1579 [0,0,0,1,0,0|3,0,0]=4 185 B5R1.2 BrC1CCC1 B23687 [0,0,0,0,1,0|2,0,0]=3 186 B5R1.2 BrC1CNC1 B13326 [0,0,0,0,1,0|3,0,0]=4 187 B5R1.2 BrC1COC1 B5688 [0,0,0,0,1,0|3,0,0]=4 188 B5R1.2 CC1CNC1 M1321 [0,0,0,0,1,0|2,0,0]=3 189 B5R1.2 C[C@H]1CCN1 M29512 [0,0,0,0,1,0|1,0,0]=2 190 B5R1.2 ClC1CNC1 C1323 [0,0,0,0,1,0|3,0,0]=4 191 B5R1.2 ClC1COC1 C8470 [0,0,0,0,1,0|3,0,0]=4 192 B5R1.2 FC1CNC1 F5255 [0,0,0,0,1,0|3,0,0]=4 193 B5R1.2 IC1CCC1 I23424 [0,0,0,0,1,0|2,0,0]=3 194 B5R1.2 IC1CNC1 I13327 [0,0,0,0,1,0|3,0,0]=4 195 B5R1.2 IC1COC1 I5689 [0,0,0,0,1,0|3,0,0]=4 196 B5R1.2 NC1CCC1 C60561 [0,0,0,0,1,0|2,0,0]=3 197 B5R1.2 NC1CNC1 A5482 [0,0,0,0,1,0|3,0,0]=4 198 B5R1.2 NC1COC1 O5613 [0,0,0,0,1,0|3,0,0]=4 199 B5R1.2 NC1CSC1 T6025 [0,0,0,0,1,0|3,0,0]=4 200 B5R1.2 O=C1CCC1 C8674 [0,0,0,0,1,0|2,0,1]=4 201 B5R1.2 OC1CNC1 H2864 [0,0,0,0,1,0|3,0,0]=4 202 B5R1.2 OC1COC1 O5686 [0,0,0,0,1,0|3,0,0]=4 203 B5R1.2 SC1CNC1 A11453 [0,0,0,0,1,0|3,0,0]=4 204 B5R1.2 SC1COC1 O8471 [0,0,0,0,1,0|3,0,0]=4 205 B5R1.2 [Mg+]C1CCC1 P5028 [0,0,0,0,1,0|2,0,0]=3 206 B7R1.3 BrC1CCCCC1 B69054 [0,0,0,0,0,1|3,0,0]=4 207 B7R1.3 BrC1CCNCC1 B40375 [0,0,0,0,0,1|3,0,0]=4 208 B7R1.3 BrC1CCOCC1 B1507 [0,0,0,0,0,1|3,0,0]=4 209 B7R1.3 BrC1CCSCC1 B31817 [0,0,0,0,0,1|3,0,0]=4 210 B7R1.3 CC1=CCCNC1 M12102 [0,0,0,0,0,1|2,0,1]=4 211 B7R1.3 CC1=CCNCC1 M26826 [0,0,0,0,0,1|2,0,1]=4 212 B7R1.3 CC1SCCCS1 M63108 [0,0,0,0,0,1|0,0,0]=1 213 B7R1.3 CN1CCNCC1 M13367 [0,0,0,0,0,1|3,0,0]=4 214 B7R1.3 C[C@@H]1CCCNC1 M43474 [0,0,0,0,0,1|2,0,0]=3 215 B7R1.3 C[C@@H]1CNCCN1 M10716 [0,0,0,0,0,1|2,0,0]=3 216 B7R1.3 C[C@@H]1CNCCO1 M15403 [0,0,0,0,0,1|1,1,0]=3 217 B7R1.3 C[C@@H]1CNCCO1 M28760 [0,0,0,0,0,1|1,1,0]=3 218 B7R1.3 C[C@@H]1COCCN1 M26868 [0,0,0,0,0,1|1,1,0]=3 219 B7R1.3 C[C@@H]1COCCN1 M9009 [0,0,0,0,0,1|1,1,0]=3 220 B7R1.3 C[C@H]1CCCCN1 M43475 [0,0,0,0,0,1|2,0,0]=3 221 B7R1.3 C[C@H]1CNCCN1 M10717 [0,0,0,0,0,1|2,0,0]=3 222 B7R1.3 C[C@H]1CNCCO1 M15401 [0,0,0,0,0,1|1,1,0]=3 223 B7R1.3 C[C@H]1CNCCO1 M15402 [0,0,0,0,0,1|1,1,0]=3 224 B7R1.3 C[C@H]1CNCCO1 M29509 [0,0,0,0,0,1|1,1,0]=3 225 B7R1.3 C[C@H]1CNCCO1 M41323 [0,0,0,0,0,1|1,1,0]=3 226 B7R1.3 C[C@H]1COCCN1 M23631 [0,0,0,0,0,1|1,1,0]=3 227 B7R1.3 C[C@H]1COCCN1 M41324 [0,0,0,0,0,1|1,1,0]=3 228 B7R1.3 C[C@H]1COCCN1 M8924 [0,0,0,0,0,1|1,1,0]=3 229 B7R1.3 ClC1CCNCC1 C40376 [0,0,0,0,0,1|3,0,0]=4 230 B7R1.3 ClC1CCOCC1 C4527 [0,0,0,0,0,1|3,0,0]=4 231 B7R1.3 FC1CCNCC1 F6080 [0,0,0,0,0,1|3,0,0]=4 232 B7R1.3 F[C@@H]1CCCNC1 F7495 [0,0,0,0,0,1|3,0,0]=4 233 B7R1.3 F[C@H]1CCCNC1 F1651 [0,0,0,0,0,1|3,0,0]=4 234 B7R1.3 F[C@H]1CCCNC1 F7461 [0,0,0,0,0,1|3,0,0]=4 235 B7R1.3 IC1CCOCC1 I1189 [0,0,0,0,0,1|3,0,0]=4 236 B7R1.3 IC1CCSCC1 I31818 [0,0,0,0,0,1|3,0,0]=4 237 B7R1.3 NC1CCCCC1 C39283 [0,0,0,0,0,1|3,0,0]=4 238 B7R1.3 NC1CCNCC1 P67610 [0,0,0,0,0,1|3,0,0]=4 239 B7R1.3 NC1CCOCC1 A1504 [0,0,0,0,0,1|3,0,0]=4 240 B7R1.3 NC1CCOCC1 T1169 [0,0,0,0,0,1|3,0,0]=4 241 B7R1.3 NC1CCSCC1 T22381 [0,0,0,0,0,1|3,0,0]=4 242 B7R1.3 NC1CCSCC1 T5312 [0,0,0,0,0,1|3,0,0]=4 243 B7R1.3 N[C@@H]1CCCNC1 A10836 [0,0,0,0,0,1|3,0,0]=4 244 B7R1.3 N[C@@H]1CCCNC1 P32424 [0,0,0,0,0,1|3,0,0]=4 245 B7R1.3 N[C@@H]1CCCOC1 X18615 [0,0,0,0,0,1|2,1,0]=4 246 B7R1.3 N[C@H]1CCCNC1 P41385 [0,0,0,0,0,1|3,0,0]=4 247 B7R1.3 N[C@H]1CCCNC1 P67457 [0,0,0,0,0,1|3,0,0]=4 248 B7R1.3 N[C@H]1CCCOC1 T1132 [0,0,0,0,0,1|2,1,0]=4 249 B7R1.3 N[C@H]1CCCOC1 X17960 [0,0,0,0,0,1|2,1,0]=4 250 B7R1.3 O=C1CCCSC1 T1776 [0,0,0,0,0,1|2,0,1]=4 251 B7R1.3 O=C1CSCCN1 T40230 [0,0,0,0,0,1|2,0,1]=4 252 B7R1.3 OC1CCNCC1 P24137 [0,0,0,0,0,1|3,0,0]=4 253 B7R1.3 OC1CCNCC1 P41321 [0,0,0,0,0,1|3,0,0]=4 254 B7R1.3 OC1CCOCC1 H0389 [0,0,0,0,0,1|3,0,0]=4 255 B7R1.3 OC1CCSCC1 H31816 [0,0,0,0,0,1|3,0,0]=4 256 B7R1.3 O[C@@H]1CCCNC1 H12298 [0,0,0,0,0,1|3,0,0]=4 257 B7R1.3 O[C@@H]1CCCNC1 H1652 [0,0,0,0,0,1|3,0,0]=4 258 B7R1.3 O[C@@H]1CCCOC1 T15984 [0,0,0,0,0,1|2,1,0]=4 259 B7R1.3 O[C@@H]1CNCCO1 M40347 [0,0,0,0,0,1|2,1,0]=4 260 B7R1.3 O[C@H]1CCCNC1 H0276 [0,0,0,0,0,1|3,0,0]=4 261 B7R1.3 O[C@H]1CCCNC1 H10264 [0,0,0,0,0,1|3,0,0]=4 262 B7R1.3 O[C@H]1CCCNC1 H10265 [0,0,0,0,0,1|3,0,0]=4 263 B7R1.3 O[C@H]1CCCNC1 H4736 [0,0,0,0,0,1|3,0,0]=4 264 B7R1.3 O[C@H]1CCCOC1 H11398 [0,0,0,0,0,1|2,1,0]=4 265 B7R1.3 O[C@H]1CCCOC1 T25087 [0,0,0,0,0,1|2,1,0]=4 266 B7R1.3 SC1CCNCC1 P11895 [0,0,0,0,0,1|3,0,0]=4 267 B7R1.3 S[C@H]1CCCNC1 P15399 [0,0,0,0,0,1|3,0,0]=4 268 B7R1.3 [Mg+]C1CCCCC1 C31701 [0,0,0,0,0,1|3,0,0]=4 269 B7R1.3 [Mg+]C1CCOCC1 T8353 [0,0,0,0,0,1|3,0,0]=4 270 B7R1.3 [Mg+]C1CCOCC1 T8354 [0,0,0,0,0,1|3,0,0]=4 271 B7R1.3 [Mg+]C1CCSCC1 T31824 [0,0,0,0,0,1|3,0,0]=4 272 B4R0.1 CC(C)NN P67395 [1,0,1,0,0,0|2,0,0]=4 273 B4R0.1 CC(C)NO P39934 [1,0,1,0,0,0|2,0,0]=4 274 B4R0.1 CC(C)ON P39935 [1,0,1,0,0,0|1,1,0]=4 275 B4R0.1 CC[C@H](C)N B62608 [1,0,1,0,0,0|1,0,0]=3 276 B4R0.1 CNN(C)C T66359 [1,0,1,0,0,0|2,0,0]=4 277 B4R0.1 C[C@@H](Cl)CO C39879 [1,0,1,0,0,0|2,0,0]=4 278 B4R0.1 C[C@@H](N)CN D39937 [1,0,1,0,0,0|2,0,0]=4 279 B4R0.1 C[C@@H](N)CO A13415 [1,0,1,0,0,0|2,0,0]=4 280 B4R0.1 C[C@@H](O)CCl C67728 [1,0,1,0,0,0|1,1,0]=4 281 B4R0.1 C[C@@H](O)CN A67482 [1,0,1,0,0,0|1,1,0]=4 282 B4R0.1 C[C@H](Br)CN B39885 [1,0,1,0,0,0|2,0,0]=4 283 B4R0.1 C[C@H](Cl)CO C39880 [1,0,1,0,0,0|2,0,0]=4 284 B4R0.1 C[C@H](N)CF F62811 [1,0,1,0,0,0|2,0,0]=4 285 B4R0.1 C[C@H](N)CN P39936 [1,0,1,0,0,0|2,0,0]=4 286 B4R0.1 C[C@H](N)CO A13416 [1,0,1,0,0,0|2,0,0]=4 287 B4R0.1 C[C@H](N)CO A69136 [1,0,1,0,0,0|2,0,0]=4 288 B4R0.1 C[C@H](O)CN A69178 [1,0,1,0,0,0|1,1,0]=4 289 B4R0.1 C[C@H](O)CO P60705 [1,0,1,0,0,0|1,1,0]=4 290 B4R0.2 BrCCCBr D69412 [1,0,1,0,0,0|2,0,0]=4 291 B4R0.2 CCCNN P39906 [1,0,1,0,0,0|2,0,0]=4 292 B4R0.2 CNCCBr B38473 [1,0,1,0,0,0|2,0,0]=4 293 B4R0.2 CNCCCl C39886 [1,0,1,0,0,0|2,0,0]=4 294 B4R0.2 COCCBr B39138 [1,0,1,0,0,0|1,1,0]=4 295 B4R0.2 COCCI K39881 [1,0,1,0,0,0|1,1,0]=4 296 B4R0.2 CSCCN M62136 [1,0,1,0,0,0|1,0,0]=3 297 B4R0.2 ClCCCI C1367 [1,0,1,0,0,0|2,0,0]=4 298 B4R0.2 ICCCI D39865 [1,0,1,0,0,0|2,0,0]=4 299 B4R0.2 N#CCCS M39860 [1,0,1,0,0,0|1,0,1]=4 300 B4R0.2 NCCCCl C37835 [1,0,1,0,0,0|2,0,0]=4 301 B4R0.2 NCCCO A69322 [1,0,1,0,0,0|1,1,0]=4 302 B4R0.2 OCCCBr B39137 [1,0,1,0,0,0|1,1,0]=4 303 B4R0.2 OCCCO P69117 [1,0,1,0,0,0|1,1,0]=4 304 B6R0.1 CCC[C@@H](Cl)CC C63946 [0,1,1,0,0,0|2,0,0]=4 305 B6R0.1 CCC[C@H](N)CO A40443 [0,1,1,0,0,0|2,0,0]=4 306 B6R0.1 CCC[C@H](N)CO A66421 [0,1,1,0,0,0|2,0,0]=4 307 B6R0.2 CC(C)C[C@H](C)N M43511 [0,1,1,0,0,0|2,0,0]=4 308 B6R0.2 CC(C)NC(C)C D64760 [0,1,1,0,0,0|2,0,0]=4 309 B6R0.2 C[C@@H](O)C[C@@H](C)O P40432 [0,1,1,0,0,0|1,1,0]=4 310 B6R0.2 C[C@H](O)C[C@H](C)O P40433 [0,1,1,0,0,0|1,1,0]=4 311 B6R0.4 CC(C)CCCO M67872 [0,1,1,0,0,0|2,0,0]=4 312 B6R0.4 CC(C)NCCCl C40431 [0,1,1,0,0,0|2,0,0]=4 313 B6R0.4 CC(C)OCCBr B69154 [0,1,1,0,0,0|1,1,0]=4 314 B6R0.6 BrCCNCCBr B28721 [0,1,1,0,0,0|2,0,0]=4 315 B6R0.6 CCCCCC[Mg+] H31703 [0,1,1,0,0,0|2,0,0]=4 316 B6R0.6 CCCCCNC M41618 [0,1,1,0,0,0|2,0,0]=4 317 B6R0.6 CCOCCC#N E41255 [0,1,1,0,0,0|1,1,0]=4 318 B6R0.6 CNCCCCBr B40429 [0,1,1,0,0,0|2,0,0]=4 319 B6R0.6 CNCCCCO M38840 [0,1,1,0,0,0|1,1,0]=4 320 B6R0.6 COCCCCBr B40422 [0,1,1,0,0,0|2,0,0]=4 321 B6R0.6 ClCCCCCBr B39164 [0,1,1,0,0,0|2,0,0]=4 322 B6R0.6 ClCCNCCCl B69332 [0,1,1,0,0,0|2,0,0]=4 323 B6R0.6 FCCCCCBr B37978 [0,1,1,0,0,0|2,0,0]=4 324 B6R0.6 ICCCCCI D24633 [0,1,1,0,0,0|2,0,0]=4 325 B6R0.6 NCCNCCO A68374 [0,1,1,0,0,0|1,1,0]=4 326 B6R0.6 NCCOCCN X39968 [0,1,1,0,0,0|1,1,0]=4 327 B6R0.6 NCCOCCN X40357 [0,1,1,0,0,0|1,1,0]=4 328 B6R0.6 OCCOCCCl C60784 [0,1,1,0,0,0|0,2,0]=4 329 B6R0.6 OCCOCCO D43939 [0,1,1,0,0,0|0,2,0]=4 330 B6R0.9 CCC(CC)C[Mg+] E31704 [0,1,1,0,0,0|2,0,0]=4 331 B6R0.9 COC(CBr)OC B25077 [0,1,1,0,0,0|0,2,0]=4 332 B6R0.9 COC(CN)OC D39146 [0,1,1,0,0,0|0,2,0]=4 333 B6R1.4 CC1NCC1F F21597 [0,1,0,0,1,0|1,0,0]=3 334 B6R1.4 C[C@@H]1NC[C@@H]1O M60046 [0,1,0,0,1,0|1,0,0]=3 335 B6R1.4 C[C@@H]1OCC1=O M61882 [0,1,0,0,1,0|0,1,1]=4 336 B6R1.4 C[C@H]1COC1=O M6342 [0,1,0,0,1,0|2,0,0]=4 337 B6R1.5 CC1CC(=O)C1 M17286 [0,1,0,0,1,0|1,0,1]=4 338 B6R1.5 CC1CC(N)C1 M41317 [0,1,0,0,1,0|1,0,0]=3 339 B6R1.5 CN1CC(N)C1 M0108 [0,1,0,0,1,0|2,0,0]=4 340 B6R1.5 CN1CC(O)C1 H0109 [0,1,0,0,1,0|2,0,0]=4 341 B6R1.5 NC1CC(F)C1 F0321 [0,1,0,0,1,0|2,0,0]=4 342 B6R1.5 NC1CC(N)C1 C11439 [0,1,0,0,1,0|2,0,0]=4 343 B6R1.5 NC1CC(O)C1 A0319 [0,1,0,0,1,0|2,0,0]=4 344 B6R1.5 NC1CC(O)C1 A23779 [0,1,0,0,1,0|2,0,0]=4 345 B6R1.5 N[C@H]1C[C@@H](F)C1 F11662 [0,1,0,0,1,0|2,0,0]=4 346 B6R1.5 N[C@H]1C[C@@H](N)C1 C11440 [0,1,0,0,1,0|2,0,0]=4 347 B6R1.5 N[C@H]1C[C@@H](N)C1 C14367 [0,1,0,0,1,0|2,0,0]=4 348 B6R1.5 N[C@H]1C[C@@H](O)C1 A0711 [0,1,0,0,1,0|2,0,0]=4 349 B6R1.5 N[C@H]1C[C@@H](O)C1 A15550 [0,1,0,0,1,0|2,0,0]=4 350 B6R1.5 N[C@H]1C[C@H](F)C1 F11661 [0,1,0,0,1,0|2,0,0]=4 351 B6R1.5 N[C@H]1C[C@H](F)C1 F14834 [0,1,0,0,1,0|2,0,0]=4 352 B6R1.5 N[C@H]1C[C@H](N)C1 C11441 [0,1,0,0,1,0|2,0,0]=4 353 B6R1.5 N[C@H]1C[C@H](N)C1 C11442 [0,1,0,0,1,0|2,0,0]=4 354 B6R1.5 N[C@H]1C[C@H](O)C1 A0712 [0,1,0,0,1,0|2,0,0]=4 355 B6R1.5 N[C@H]1C[C@H](O)C1 SB8170 [0,1,0,0,1,0|2,0,0]=4 356 B6R1.5 OC1CC(F)C1 F13605 [0,1,0,0,1,0|2,0,0]=4 357 B6R1.5 O[C@H]1C[C@@H](F)C1 F14837 [0,1,0,0,1,0|2,0,0]=4 358 B6R1.5 O[C@H]1C[C@H](F)C1 F11668 [0,1,0,0,1,0|2,0,0]=4 359 B6R1.6 BrCC1COC1 B19169 [0,1,0,0,1,0|2,0,0]=4 360 B6R1.6 BrC[C@H]1CCO1 B0614 [0,1,0,0,1,0|0,1,0]=3 361 B6R1.6 CNC1CNC1 M1333 [0,1,0,0,1,0|2,0,0]=4 362 B6R1.6 CNC1COC1 M5690 [0,1,0,0,1,0|2,0,0]=4 363 B6R1.6 CN[C@@H]1CCN1 A7337 [0,1,0,0,1,0|1,0,0]=3 364 B6R1.6 COC1CNC1 M0107 [0,1,0,0,1,0|2,0,0]=4 365 B6R1.6 CSC1CNC1 M0303 [0,1,0,0,1,0|2,0,0]=4 366 B6R1.6 FCC1CNC1 F21648 [0,1,0,0,1,0|2,0,0]=4 367 B6R1.6 ICC1CCC1 I29708 [0,1,0,0,1,0|1,0,0]=3 368 B6R1.6 ICC1COC1 I6937 [0,1,0,0,1,0|2,0,0]=4 369 B6R1.6 IC[C@H]1CCO1 I6940 [0,1,0,0,1,0|0,1,0]=3 370 B6R1.6 N#CC1CCC1 C5653 [0,1,0,0,1,0|1,0,1]=4 371 B6R1.6 N#C[C@H]1CCN1 A60326 [0,1,0,0,1,0|1,0,1]=4 372 B6R1.6 NCC1CCC1 C0310 [0,1,0,0,1,0|1,0,0]=3 373 B6R1.6 NCC1CCC1 C1144 [0,1,0,0,1,0|1,0,0]=3 374 B6R1.6 NCC1CNC1 A13410 [0,1,0,0,1,0|2,0,0]=4 375 B6R1.6 NCC1COC1 O5691 [0,1,0,0,1,0|2,0,0]=4 376 B6R1.6 NCC1CSC1 T6978 [0,1,0,0,1,0|2,0,0]=4 377 B6R1.6 NC[C@H]1CCO1 X6187 [0,1,0,0,1,0|0,1,0]=3 378 B6R1.6 NNC1CCC1 C37776 [0,1,0,0,1,0|2,0,0]=4 379 B6R1.6 OCC1CCC1 C67424 [0,1,0,0,1,0|1,0,0]=3 380 B6R1.6 OCC1CNC1 A5874 [0,1,0,0,1,0|2,0,0]=4 381 B6R1.6 OCC1CNC1 H12177 [0,1,0,0,1,0|2,0,0]=4 382 B6R1.6 OCC1COC1 X6263 [0,1,0,0,1,0|2,0,0]=4 383 B6R1.6 OCC1CSC1 T20107 [0,1,0,0,1,0|2,0,0]=4 384 B6R1.6 OC[C@@H]1CCN1 A11256 [0,1,0,0,1,0|1,0,0]=3 385 B6R1.6 OC[C@H]1CCN1 A11255 [0,1,0,0,1,0|1,0,0]=3 386 B6R1.6 OC[C@H]1CCN1 A11257 [0,1,0,0,1,0|1,0,0]=3 387 B6R1.6 OC[C@H]1CCO1 X6188 [0,1,0,0,1,0|0,1,0]=3 388 B6R1.6 [Mg+]CC1CCC1 C5036 [0,1,0,0,1,0|1,0,0]=3 389 B6R1.10 CC1(C)CNC1 D11454 [0,1,0,0,1,0|2,0,0]=4 390 B6R1.10 CC1(F)CNC1 F11719 [0,1,0,0,1,0|2,0,0]=4 391 B6R1.10 CC1(N)CCC1 M15665 [0,1,0,0,1,0|1,0,0]=3 392 B6R1.10 CC1(N)CCC1 M15666 [0,1,0,0,1,0|1,0,0]=3 393 B6R1.10 CC1(N)CCC1 M6467 [0,1,0,0,1,0|1,0,0]=3 394 B6R1.10 CC1(N)CNC1 A10361 [0,1,0,0,1,0|2,0,0]=4 395 B6R1.10 CC1(N)COC1 M5614 [0,1,0,0,1,0|2,0,0]=4 396 B6R1.10 CC1(N)COC1 M7167 [0,1,0,0,1,0|2,0,0]=4 397 B6R1.10 CC1(N)CSC1 M30085 [0,1,0,0,1,0|2,0,0]=4 398 B6R1.10 CC1(O)CNC1 H0307 [0,1,0,0,1,0|2,0,0]=4 399 B6R1.10 CC1(O)COC1 M6651 [0,1,0,0,1,0|2,0,0]=4 400 B6R1.10 CC1(O)CSC1 M29793 [0,1,0,0,1,0|2,0,0]=4 401 B8R1.2 BrCC1CCCCC1 B43832 [0,1,0,0,0,1|2,0,0]=4 402 B8R1.2 BrCC1CCNCC1 B1292 [0,1,0,0,0,1|2,0,0]=4 403 B8R1.2 BrCC1CCOCC1 B3933 [0,1,0,0,0,1|2,0,0]=4 404 B8R1.2 BrC[C@H]1CCCOC1 B8026 [0,1,0,0,0,1|1,1,0]=4 405 B8R1.2 CCC1COCCN1 O5554 [0,1,0,0,0,1|1,1,0]=4 406 B8R1.2 CC[C@@H]1CNCCN1 E67103 [0,1,0,0,0,1|2,0,0]=4 407 B8R1.2 CC[C@H]1CCCCN1 E46502 [0,1,0,0,0,1|2,0,0]=4 408 B8R1.2 CC[C@H]1CNCCN1 E13389 [0,1,0,0,0,1|2,0,0]=4 409 B8R1.2 CC[C@H]1CNCCN1 E13401 [0,1,0,0,0,1|2,0,0]=4 410 B8R1.2 CC[C@H]1CNCCN1 E65175 [0,1,0,0,0,1|2,0,0]=4 411 B8R1.2 CC[C@H]1COCCN1 E22377 [0,1,0,0,0,1|1,1,0]=4 412 B8R1.2 CNC1CCNCC1 M13774 [0,1,0,0,0,1|2,0,0]=4 413 B8R1.2 CNC1CCOCC1 M10218 [0,1,0,0,0,1|2,0,0]=4 414 B8R1.2 CN[C@H]1CCCNC1 M43509 [0,1,0,0,0,1|2,0,0]=4 415 B8R1.2 CN[C@H]1CCCNC1 M43560 [0,1,0,0,0,1|2,0,0]=4 416 B8R1.2 COC1CCNCC1 M0482 [0,1,0,0,0,1|2,0,0]=4 417 B8R1.2 COC1CCNCC1 M1164 [0,1,0,0,0,1|2,0,0]=4 418 B8R1.2 CO[C@@H]1CCCNC1 M10269 [0,1,0,0,0,1|2,0,0]=4 419 B8R1.2 CO[C@@H]1CCCNC1 M10270 [0,1,0,0,0,1|2,0,0]=4 420 B8R1.2 CO[C@H]1CCCNC1 M10271 [0,1,0,0,0,1|2,0,0]=4 421 B8R1.2 CO[C@H]1CCCNC1 M1167 [0,1,0,0,0,1|2,0,0]=4 422 B8R1.2 CO[C@H]1CCCNC1 M7502 [0,1,0,0,0,1|2,0,0]=4 423 B8R1.2 ClC[C@H]1CCCCN1 C41543 [0,1,0,0,0,1|2,0,0]=4 424 B8R1.2 FCC1CCNCC1 F1237 [0,1,0,0,0,1|2,0,0]=4 425 B8R1.2 FCC1CCNCC1 F14211 [0,1,0,0,0,1|2,0,0]=4 426 B8R1.2 FC[C@H]1CCCCN1 F1342 [0,1,0,0,0,1|2,0,0]=4 427 B8R1.2 ICC1CCCCC1 I38363 [0,1,0,0,0,1|2,0,0]=4 428 B8R1.2 ICC1CCOCC1 I10217 [0,1,0,0,0,1|2,0,0]=4 429 B8R1.2 NCC1CCCCC1 C43900 [0,1,0,0,0,1|2,0,0]=4 430 B8R1.2 NCC1CCOCC1 T1166 [0,1,0,0,0,1|2,0,0]=4 431 B8R1.2 NCC1CCSCC1 T13090 [0,1,0,0,0,1|2,0,0]=4 432 B8R1.2 NC[C@@H]1CCCOC1 T14517 [0,1,0,0,0,1|1,1,0]=4 433 B8R1.2 NC[C@@H]1COCCO1 D11964 [0,1,0,0,0,1|0,2,0]=4 434 B8R1.2 NC[C@H]1CCCCN1 P68366 [0,1,0,0,0,1|2,0,0]=4 435 B8R1.2 NC[C@H]1CCCNC1 P60926 [0,1,0,0,0,1|2,0,0]=4 436 B8R1.2 NC[C@H]1CCCOC1 A14515 [0,1,0,0,0,1|1,1,0]=4 437 B8R1.2 NC[C@H]1CCCOC1 T14516 [0,1,0,0,0,1|1,1,0]=4 438 B8R1.2 NC[C@H]1CNCCO1 M61772 [0,1,0,0,0,1|1,1,0]=4 439 B8R1.2 NC[C@H]1COCCO1 D11965 [0,1,0,0,0,1|0,2,0]=4 440 B8R1.2 NC[C@H]1COCCO1 D15491 [0,1,0,0,0,1|0,2,0]=4 441 B8R1.2 OCC1CCNCC1 P0766 [0,1,0,0,0,1|2,0,0]=4 442 B8R1.2 OCC1CCOCC1 H0390 [0,1,0,0,0,1|2,0,0]=4 443 B8R1.2 OCC1CCSCC1 T13093 [0,1,0,0,0,1|2,0,0]=4 444 B8R1.2 OC[C@@H]1CCCCN1 P7111 [0,1,0,0,0,1|2,0,0]=4 445 B8R1.2 OC[C@@H]1CCCCO1 X24024 [0,1,0,0,0,1|1,1,0]=4 446 B8R1.2 OC[C@@H]1CCCNC1 P41579 [0,1,0,0,0,1|2,0,0]=4 447 B8R1.2 OC[C@@H]1CCCNC1 P60999 [0,1,0,0,0,1|2,0,0]=4 448 B8R1.2 OC[C@@H]1CCCOC1 X59846 [0,1,0,0,0,1|1,1,0]=4 449 B8R1.2 OC[C@@H]1CNCCO1 M18586 [0,1,0,0,0,1|1,1,0]=4 450 B8R1.2 OC[C@@H]1COCCN1 H40409 [0,1,0,0,0,1|1,1,0]=4 451 B8R1.2 OC[C@@H]1COCCN1 M41331 [0,1,0,0,0,1|1,1,0]=4 452 B8R1.2 OC[C@@H]1COCCO1 D23560 [0,1,0,0,0,1|0,2,0]=4 453 B8R1.2 OC[C@H]1CCCCN1 H41578 [0,1,0,0,0,1|2,0,0]=4 454 B8R1.2 OC[C@H]1CCCCN1 P7110 [0,1,0,0,0,1|2,0,0]=4 455 B8R1.2 OC[C@H]1CCCNC1 P0762 [0,1,0,0,0,1|2,0,0]=4 456 B8R1.2 OC[C@H]1CCCNC1 P41576 [0,1,0,0,0,1|2,0,0]=4 457 B8R1.2 OC[C@H]1CCCOC1 H11515 [0,1,0,0,0,1|1,1,0]=4 458 B8R1.2 OC[C@H]1CCCOC1 X59849 [0,1,0,0,0,1|1,1,0]=4 459 B8R1.2 OC[C@H]1CNCCN1 P41389 [0,1,0,0,0,1|2,0,0]=4 460 B8R1.2 OC[C@H]1CNCCN1 P41390 [0,1,0,0,0,1|2,0,0]=4 461 B8R1.2 OC[C@H]1CNCCO1 M19813 [0,1,0,0,0,1|1,1,0]=4 462 B8R1.2 OC[C@H]1CNCCO1 M40407 [0,1,0,0,0,1|1,1,0]=4 463 B8R1.2 OC[C@H]1CNCCO1 M41329 [0,1,0,0,0,1|1,1,0]=4 464 B8R1.2 OC[C@H]1COCCN1 M41332 [0,1,0,0,0,1|1,1,0]=4 465 B8R1.2 OC[C@H]1COCCN1 M61069 [0,1,0,0,0,1|1,1,0]=4 466 B8R1.2 OC[C@H]1COCCN1 M61885 [0,1,0,0,0,1|1,1,0]=4 467 B8R1.2 OC[C@H]1COCCO1 D23561 [0,1,0,0,0,1|0,2,0]=4 468 B8R1.2 OC[C@H]1COCCO1 D40389 [0,1,0,0,0,1|0,2,0]=4 469 B8R1.2 [Mg+]CC1CCCCC1 C31706 [0,1,0,0,0,1|2,0,0]=4 470 B8R1.3 CC1CCC(=O)CC1 M39288 [0,1,0,0,0,1|2,0,0]=4 471 B8R1.3 CC1CCC(O)CC1 M61965 [0,1,0,0,0,1|2,0,0]=4 472 B8R1.3 C[C@@H]1CC[C@H](O)CN1 M59818 [0,1,0,0,0,1|2,0,0]=4 473 B8R1.3 C[C@@H]1CO[C@H](C)CN1 D43484 [0,1,0,0,0,1|1,1,0]=4 474 B8R1.3 C[C@H]1CC[C@@H](N)CC1 M46505 [0,1,0,0,0,1|2,0,0]=4 475 B8R1.3 C[C@H]1CC[C@H](N)CC1 M46506 [0,1,0,0,0,1|2,0,0]=4 476 B8R1.3 C[C@H]1CC[C@H](N)CC1 M68368 [0,1,0,0,0,1|2,0,0]=4 477 B8R1.3 C[C@H]1CN[C@@H](C)CN1 D11163 [0,1,0,0,0,1|2,0,0]=4 478 B8R1.3 C[C@H]1CN[C@H](C)CN1 D41608 [0,1,0,0,0,1|2,0,0]=4 479 B8R1.3 C[C@H]1CN[C@H](C)CO1 D41580 [0,1,0,0,0,1|1,1,0]=4 480 B8R1.3 C[C@H]1CO[C@@H](C)CN1 D43485 [0,1,0,0,0,1|1,1,0]=4 481 B8R1.3 OC1CSC(O)CS1 D69077 [0,1,0,0,0,1|1,0,0]=3 482 B8R1.4 CC1CC(N)CCO1 M26284 [0,1,0,0,0,1|1,1,0]=4 483 B8R1.4 CC1CC(O)CCN1 M11589 [0,1,0,0,0,1|2,0,0]=4 484 B8R1.4 CC1CC(O)CCO1 M14345 [0,1,0,0,0,1|1,1,0]=4 485 B8R1.4 CC1CNCC(C)C1 D39299 [0,1,0,0,0,1|2,0,0]=4 486 B8R1.4 CC1CNCC(C)N1 D4711 [0,1,0,0,0,1|2,0,0]=4 487 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,1,0,0,0,1|2,0,0]=4 488 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,1,0,0,0,1|1,1,0]=4 489 B8R1.4 C[C@@H]1CN(C)CCN1 D27738 [0,1,0,0,0,1|2,0,0]=4 490 B8R1.4 C[C@@H]1CN(C)CCN1 D62333 [0,1,0,0,0,1|2,0,0]=4 491 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 D13904 [0,1,0,0,0,1|2,0,0]=4 492 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 D20228 [0,1,0,0,0,1|2,0,0]=4 493 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 D43561 [0,1,0,0,0,1|2,0,0]=4 494 B8R1.4 C[C@@H]1COC[C@@H](C)N1 D27896 [0,1,0,0,0,1|1,1,0]=4 495 B8R1.4 C[C@@H]1C[C@H](O)CCN1 M31245 [0,1,0,0,0,1|2,0,0]=4 496 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,1,0,0,0,1|2,0,0]=4 497 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,1,0,0,0,1|2,0,0]=4 498 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,1,0,0,0,1|2,0,0]=4 499 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,1,0,0,0,1|1,1,0]=4 500 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,1,0,0,0,1|1,1,0]=4 501 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,1,0,0,0,1|2,0,0]=4 502 B8R1.4 C[C@H]1CN(C)CCN1 D41607 [0,1,0,0,0,1|2,0,0]=4 503 B8R1.4 C[C@H]1CNC[C@@H](C)N1 D10658 [0,1,0,0,0,1|2,0,0]=4 504 B8R1.4 C[C@H]1CNC[C@@H](C)O1 D14096 [0,1,0,0,0,1|1,1,0]=4 505 B8R1.4 C[C@H]1CNC[C@H](C)N1 D11159 [0,1,0,0,0,1|2,0,0]=4 506 B8R1.4 C[C@H]1CNC[C@H](C)N1 D20216 [0,1,0,0,0,1|2,0,0]=4 507 B8R1.4 C[C@H]1CNC[C@H](C)O1 D22785 [0,1,0,0,0,1|1,1,0]=4 508 B8R1.4 C[C@H]1CNC[C@H](C)O1 D7921 [0,1,0,0,0,1|1,1,0]=4 509 B8R1.4 C[C@H]1COC[C@@H](C)N1 D11279 [0,1,0,0,0,1|1,1,0]=4 510 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M11590 [0,1,0,0,0,1|2,0,0]=4 511 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M8079 [0,1,0,0,0,1|2,0,0]=4 512 B8R1.5 CC1CCNCC1O H11697 [0,1,0,0,0,1|2,0,0]=4 513 B8R1.5 CC1CCNCC1O H11698 [0,1,0,0,0,1|2,0,0]=4 514 B8R1.5 CC1CNCCC1O M17031 [0,1,0,0,0,1|2,0,0]=4 515 B8R1.5 CC1CNCCC1O M41575 [0,1,0,0,0,1|2,0,0]=4 516 B8R1.5 C[C@@H]1CCCC[C@@H]1N M46507 [0,1,0,0,0,1|2,0,0]=4 517 B8R1.5 C[C@@H]1CCNC[C@@H]1O H14889 [0,1,0,0,0,1|2,0,0]=4 518 B8R1.5 C[C@@H]1CCNC[C@H]1O H11699 [0,1,0,0,0,1|2,0,0]=4 519 B8R1.5 C[C@@H]1CCNC[C@H]1O H14888 [0,1,0,0,0,1|2,0,0]=4 520 B8R1.5 C[C@@H]1CNCCN1C D10718 [0,1,0,0,0,1|2,0,0]=4 521 B8R1.5 C[C@@H]1CNCC[C@H]1O M30026 [0,1,0,0,0,1|2,0,0]=4 522 B8R1.5 C[C@@H]1COCC[C@H]1N M14514 [0,1,0,0,0,1|1,1,0]=4 523 B8R1.5 C[C@@H]1COCC[C@H]1N M27647 [0,1,0,0,0,1|1,1,0]=4 524 B8R1.5 C[C@@H]1COCC[C@H]1N M59772 [0,1,0,0,0,1|1,1,0]=4 525 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,1,0,0,0,1|2,0,0]=4 526 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,1,0,0,0,1|2,0,0]=4 527 B8R1.5 C[C@H]1CCNCC1=O M14887 [0,1,0,0,0,1|2,0,0]=4 528 B8R1.5 C[C@H]1CCNC[C@H]1O H11700 [0,1,0,0,0,1|2,0,0]=4 529 B8R1.5 C[C@H]1CNCCC1=O M14880 [0,1,0,0,0,1|2,0,0]=4 530 B8R1.5 C[C@H]1CNCCC1=O M41497 [0,1,0,0,0,1|2,0,0]=4 531 B8R1.5 C[C@H]1CNCCN1C D11166 [0,1,0,0,0,1|2,0,0]=4 532 B8R1.5 C[C@H]1CNCCN1C D23865 [0,1,0,0,0,1|2,0,0]=4 533 B8R1.5 C[C@H]1CNCCN1C D41606 [0,1,0,0,0,1|2,0,0]=4 534 B8R1.5 C[C@H]1COCCC1=O M11408 [0,1,0,0,0,1|1,1,0]=4 535 B8R1.5 C[C@H]1COCC[C@@H]1N M59773 [0,1,0,0,0,1|1,1,0]=4 536 B8R1.5 C[C@H]1COCC[C@H]1N M11514 [0,1,0,0,0,1|1,1,0]=4 537 B8R1.72 CC1(C)CCNCC1 D0628 [0,1,0,0,0,1|2,0,0]=4 538 B8R1.72 CC1(C)CNCCN1 D13386 [0,1,0,0,0,1|2,0,0]=4 539 B8R1.72 CC1(C)CNCCO1 D11989 [0,1,0,0,0,1|1,1,0]=4 540 B8R1.72 CC1(C)CNCCO1 D1343 [0,1,0,0,0,1|1,1,0]=4 541 B8R1.72 CC1(C)COCCN1 D24429 [0,1,0,0,0,1|1,1,0]=4 542 B8R1.72 CC1(F)CCNCC1 F43473 [0,1,0,0,0,1|2,0,0]=4 543 B8R1.72 CC1(N)CCOCC1 M10391 [0,1,0,0,0,1|2,0,0]=4 544 B8R1.72 CC1(O)CCCCC1 M43886 [0,1,0,0,0,1|2,0,0]=4 545 B8R1.72 CC1(O)CCNCC1 H7439 [0,1,0,0,0,1|2,0,0]=4 546 B8R1.72 CC1(O)CCNCC1 M0127 [0,1,0,0,0,1|2,0,0]=4 547 B8R1.72 CC1(O)CCOCC1 M25219 [0,1,0,0,0,1|2,0,0]=4 548 B8R1.72 CC1(O)CCSCC1 M41569 [0,1,0,0,0,1|2,0,0]=4 549 B8R1.72 C[C@]1(O)CCCNC1 M1131 [0,1,0,0,0,1|2,0,0]=4 550 B8R1.72 C[C@]1(O)CCCNC1 M59908 [0,1,0,0,0,1|2,0,0]=4 551 B8R1.1 COC1CCC(N)C1 M27196 [0,2,0,0,0,0|2,0,0]=4 552 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 H23845 [0,2,0,0,0,0|2,0,0]=4 553 B8R1.1 OC[C@@H]1C[C@H](O)CO1 H40394 [0,2,0,0,0,0|1,1,0]=4 554 B8R1.1 OC[C@H]1C[C@@H](O)CN1 H41336 [0,2,0,0,0,0|2,0,0]=4 555 B8R1.7 CC(=O)C1CCCC1 C69351 [0,2,0,0,0,0|2,0,0]=4 556 B8R1.7 CC(=O)[C@H]1NCCS1 T41381 [0,2,0,0,0,0|1,0,0]=3 557 B8R1.7 CC(C)[C@@H]1CCCN1 P29867 [0,2,0,0,0,0|2,0,0]=4 558 B8R1.7 CC(C)[C@H]1CCCN1 P29967 [0,2,0,0,0,0|2,0,0]=4 559 B8R1.7 C[C@H](N)C1CCCC1 C31670 [0,2,0,0,0,0|2,0,0]=4 560 B8R1.7 FC(F)[C@@H]1CCCN1 D19357 [0,2,0,0,0,0|2,0,0]=4 561 B8R1.7 FC(F)[C@@H]1CCCN1 D19603 [0,2,0,0,0,0|2,0,0]=4 562 B8R1.7 O=C(O)[C@@H]1CCCS1 T41225 [0,2,0,0,0,0|1,0,1]=4 563 B8R1.8 BrCCC1OCCO1 B41267 [0,2,0,0,0,0|0,2,0]=4 564 B8R1.8 COC[C@@H]1CCCN1 M14243 [0,2,0,0,0,0|2,0,0]=4 565 B8R1.8 COC[C@H]1CCCN1 M14242 [0,2,0,0,0,0|2,0,0]=4 566 B8R1.8 NCCC1CCCC1 C46503 [0,2,0,0,0,0|2,0,0]=4 567 B8R1.8 NCC[C@H]1CCCO1 T1128 [0,2,0,0,0,0|1,1,0]=4 568 B8R1.8 OCC[C@H]1CCCN1 P11010 [0,2,0,0,0,0|2,0,0]=4 569 B8R1.11 CC[C@H]1CCCC1=O E43799 [0,2,0,0,0,0|2,0,0]=4 570 B8R1.11 CN1CCC[C@@H]1CN M8172 [0,2,0,0,0,0|2,0,0]=4 571 B8R1.11 CN1CCC[C@@H]1CO M14129 [0,2,0,0,0,0|2,0,0]=4 572 B8R1.11 CN1CCC[C@@H]1CO M41582 [0,2,0,0,0,0|2,0,0]=4 573 B8R1.11 CN1CCC[C@H]1CBr B41540 [0,2,0,0,0,0|2,0,0]=4 574 B8R1.11 CN1CCC[C@H]1CN M0297 [0,2,0,0,0,0|2,0,0]=4 575 B8R1.11 CN1CCC[C@H]1CN M43564 [0,2,0,0,0,0|2,0,0]=4 576 B8R1.11 CN1CCC[C@H]1CO M12480 [0,2,0,0,0,0|2,0,0]=4 577 B8R1.11 CO[C@H]1CCC[C@H]1N M60050 [0,2,0,0,0,0|2,0,0]=4 578 B8R1.11 O=C1CCC[C@@H]1CO H41464 [0,2,0,0,0,0|2,0,0]=4 579 B8R1.52 CC1(CBr)OCCO1 B5418 [0,2,0,0,0,0|0,2,0]=4 580 B8R1.52 CC1(CN)OCCO1 M40413 [0,2,0,0,0,0|0,2,0]=4 581 B8R1.52 CC1(CO)OCCO1 M37741 [0,2,0,0,0,0|0,2,0]=4 582 B8R1.52 C[C@@]1(CO)CCCN1 M27669 [0,2,0,0,0,0|2,0,0]=4 583 B8R1.52 C[C@]1(CN)CCCO1 M31869 [0,2,0,0,0,0|1,1,0]=4 584 B8R1.52 C[C@]1(CO)CCCN1 M27670 [0,2,0,0,0,0|2,0,0]=4 585 B8R1.52 NCC1(F)CCCC1 F60053 [0,2,0,0,0,0|2,0,0]=4 586 B8R1.52 NCC1(O)CCCC1 A1151 [0,2,0,0,0,0|2,0,0]=4 587 B8R1.52 NCC1(O)CCCC1 A43483 [0,2,0,0,0,0|2,0,0]=4 588 B8R1.50 CC1C(=O)CCC1=O M25293 [0,2,0,0,0,0|2,0,0]=4 589 B8R1.51 CC1(C)C[C@H](O)CN1 D60304 [0,2,0,0,0,0|2,0,0]=4 590 B8R1.51 CC1(O)CCC(N)C1 H14948 [0,2,0,0,0,0|2,0,0]=4 591 B6R1.11 C[C@@H](N)C1CC1 C61147 [0,0,1,1,0,0|2,0,0]=4 592 B6R1.11 C[C@H](N)C1CC1 C41318 [0,0,1,1,0,0|2,0,0]=4 593 B6R1.1 C1CCNCC1 P67647 [0,0,1,1,0,0|2,0,0]=4 594 B6R1.1 C1CSCCN1 T17901 [0,0,1,1,0,0|1,0,0]=3 595 B8R2.23 C1NCC2CC1C2 A31840 [0,0,0,1,0,1|2,0,0]=4 596 B8R2.23 C1NCC2CC1O2 X15474 [0,0,0,1,0,1|1,1,0]=4 597 B8R2.23 C1NCC2CC1O2 X19506 [0,0,0,1,0,1|1,1,0]=4 598 B8R2.23 C1OCC2CC1N2 X30108 [0,0,0,1,0,1|1,1,0]=4 599 B8R2.25 C1CNC2CC2N1 D60443 [0,0,0,1,0,1|2,0,0]=4 600 B8R2.25 C1COC2CC2N1 X41370 [0,0,0,1,0,1|1,1,0]=4 601 B8R2.34 C1=CC2CC1CN2 A13306 [0,0,0,1,0,1|2,0,0]=4 602 B8R2.34 C1=CC2CC1CN2 B30096 [0,0,0,1,0,1|2,0,0]=4 603 B8R2.34 C1OC2CNC1C2 X26396 [0,0,0,1,0,1|1,1,0]=4 604 B8R2.34 C1O[C@@H]2CN[C@H]1C2 X11751 [0,0,0,1,0,1|1,1,0]=4 605 B8R2.34 C1O[C@@H]2CN[C@H]1C2 X14975 [0,0,0,1,0,1|1,1,0]=4 606 B8R2.34 C1O[C@@H]2CN[C@H]1C2 X20221 [0,0,0,1,0,1|1,1,0]=4 607 B8R2.34 C1O[C@H]2CN[C@@H]1C2 X11749 [0,0,0,1,0,1|1,1,0]=4 608 B8R2.34 C1O[C@H]2CN[C@@H]1C2 X11750 [0,0,0,1,0,1|1,1,0]=4 609 B8R2.34 C1O[C@H]2CN[C@@H]1C2 X20220 [0,0,0,1,0,1|1,1,0]=4 610 B8R2.55 C1CNC2(C1)CC2 A8604 [0,1,0,1,0,0|2,0,0]=4 611 B4R1.1 C1CNC1 A1584 [1,0,0,0,1,0|1,0,0]=3 612 B4R1.1 C1CNC1 A31833 [1,0,0,0,1,0|1,0,0]=3 613 B4R1.2 BrC1CC1 B23669 [0,0,0,0,2,0|1,0,0]=3 614 B4R1.2 C[C@@H]1CN1 M6947 [0,0,0,0,2,0|1,0,0]=3 615 B4R1.2 C[C@H]1CN1 M6944 [0,0,0,0,2,0|1,0,0]=3 616 B4R1.2 OC1CC1 C21681 [0,0,0,0,2,0|1,0,0]=3 617 B8R1.22 C[C@H]1CCNCCN1 M13937 [0,0,0,0,0,2|2,0,0]=4