0 B6R1.2 BrC1=CSC=C1 B39148 [0,0,0,0,0,0|1,0,3]=4 1 B6R1.2 BrC1=CSC=N1 B2171 [0,0,0,0,0,0|2,0,2]=4 2 B6R1.2 BrC1=CSN=C1 B39812 [0,0,0,0,0,0|2,0,2]=4 3 B6R1.2 BrC1=NSC=C1 B39811 [0,0,0,0,0,0|2,0,2]=4 4 B6R1.2 Br[C@H]1CCNC1 B40246 [0,0,0,0,0,0|2,0,1]=3 5 B6R1.2 Br[C@H]1CCOC1 B0393 [0,0,0,0,0,0|1,1,1]=3 6 B6R1.2 CC1=CSC=N1 M24933 [0,0,0,0,0,0|2,0,2]=4 7 B6R1.2 CC1=NCCC1 M41239 [0,0,0,0,0,0|3,0,0]=3 8 B6R1.2 C[C@@H]1CCCN1 M23610 [0,0,0,0,0,0|3,0,1]=4 9 B6R1.2 C[C@@H]1CCNC1 M22540 [0,0,0,0,0,0|2,0,1]=3 10 B6R1.2 C[C@H]1CCCN1 M21836 [0,0,0,0,0,0|3,0,1]=4 11 B6R1.2 C[C@H]1CCCN1 M24199 [0,0,0,0,0,0|3,0,1]=4 12 B6R1.2 C[C@H]1CCCN1 M24435 [0,0,0,0,0,0|3,0,1]=4 13 B6R1.2 C[C@H]1CCNC1 M22012 [0,0,0,0,0,0|2,0,1]=3 14 B6R1.2 C[C@H]1CCNC1 M69520 [0,0,0,0,0,0|2,0,1]=3 15 B6R1.2 ClC1=CSC=C1 C40018 [0,0,0,0,0,0|1,0,3]=4 16 B6R1.2 ClC1=CSC=N1 C9773 [0,0,0,0,0,0|2,0,2]=4 17 B6R1.2 F[C@@H]1CCNC1 F7494 [0,0,0,0,0,0|2,0,1]=3 18 B6R1.2 F[C@H]1CCNC1 F0136 [0,0,0,0,0,0|2,0,1]=3 19 B6R1.2 F[C@H]1CCNC1 F7493 [0,0,0,0,0,0|2,0,1]=3 20 B6R1.2 IC1=CSC=C1 K40019 [0,0,0,0,0,0|1,0,3]=4 21 B6R1.2 IC1CCCC1 I20419 [0,0,0,0,0,0|2,0,1]=3 22 B6R1.2 I[C@@H]1CCOC1 I1538 [0,0,0,0,0,0|1,1,1]=3 23 B6R1.2 I[C@H]1CCOC1 I0392 [0,0,0,0,0,0|1,1,1]=3 24 B6R1.2 I[C@H]1CCOC1 I1672 [0,0,0,0,0,0|1,1,1]=3 25 B6R1.2 NC1=CSC=C1 A40167 [0,0,0,0,0,0|1,0,3]=4 26 B6R1.2 NC1=CSC=C1 T10330 [0,0,0,0,0,0|1,0,3]=4 27 B6R1.2 NC1=CSC=C1 T64858 [0,0,0,0,0,0|1,0,3]=4 28 B6R1.2 NC1=CSC=N1 T39908 [0,0,0,0,0,0|2,0,2]=4 29 B6R1.2 NC1=NCCC1 D38561 [0,0,0,0,0,0|3,0,0]=3 30 B6R1.2 NC1CC=CC1 A13279 [0,0,0,0,0,0|2,0,2]=4 31 B6R1.2 N[C@@H]1CCNC1 P16877 [0,0,0,0,0,0|2,0,1]=3 32 B6R1.2 N[C@@H]1CCNC1 P16878 [0,0,0,0,0,0|2,0,1]=3 33 B6R1.2 N[C@@H]1CCOC1 A7431 [0,0,0,0,0,0|1,1,1]=3 34 B6R1.2 N[C@@H]1CCOC1 X16388 [0,0,0,0,0,0|1,1,1]=3 35 B6R1.2 N[C@H]1CCNC1 P16879 [0,0,0,0,0,0|2,0,1]=3 36 B6R1.2 N[C@H]1CCNC1 P68854 [0,0,0,0,0,0|2,0,1]=3 37 B6R1.2 N[C@H]1CCOC1 A0023 [0,0,0,0,0,0|1,1,1]=3 38 B6R1.2 N[C@H]1CCOC1 A7432 [0,0,0,0,0,0|1,1,1]=3 39 B6R1.2 N[C@H]1CCOC1 T40344 [0,0,0,0,0,0|1,1,1]=3 40 B6R1.2 N[C@H]1CCOC1 X22238 [0,0,0,0,0,0|1,1,1]=3 41 B6R1.2 O=C1C=CCC1 C26583 [0,0,0,0,0,0|1,0,1]=2 42 B6R1.2 O=C1C=CCO1 F5673 [0,0,0,0,0,0|2,0,1]=3 43 B6R1.2 O=C1C=CNN1 P32282 [0,0,0,0,0,0|2,0,2]=4 44 B6R1.2 O=C1C=CSN1 T60536 [0,0,0,0,0,0|1,0,2]=3 45 B6R1.2 O=C1CC=CC1 C19712 [0,0,0,0,0,0|1,0,1]=2 46 B6R1.2 O=C1CC=NN1 P39834 [0,0,0,0,0,0|2,0,1]=3 47 B6R1.2 O=C1CCNC1 P0198 [0,0,0,0,0,0|1,0,0]=1 48 B6R1.2 O=C1CCNN1 P39917 [0,0,0,0,0,0|2,0,0]=2 49 B6R1.2 O=C1CCOC1 X0391 [0,0,0,0,0,0|0,1,0]=1 50 B6R1.2 O=C1CCSC1 D10906 [0,0,0,0,0,0|0,0,0]=0 51 B6R1.2 O=C1NC=CN1 K39835 [0,0,0,0,0,0|3,0,1]=4 52 B6R1.2 O=C1NC=CO1 X39828 [0,0,0,0,0,0|3,0,1]=4 53 B6R1.2 O=C1NCCN1 K62398 [0,0,0,0,0,0|3,0,0]=3 54 B6R1.2 O=C1NCCS1 T39859 [0,0,0,0,0,0|3,0,0]=3 55 B6R1.2 OC1CC=CC1 C67522 [0,0,0,0,0,0|1,0,3]=4 56 B6R1.2 O[C@@H]1CCNC1 H7458 [0,0,0,0,0,0|1,0,2]=3 57 B6R1.2 O[C@@H]1CCNC1 P4643 [0,0,0,0,0,0|1,0,2]=3 58 B6R1.2 O[C@@H]1CCOC1 H7563 [0,0,0,0,0,0|0,1,2]=3 59 B6R1.2 O[C@H]1CCNC1 H0275 [0,0,0,0,0,0|1,0,2]=3 60 B6R1.2 O[C@H]1CCNC1 H7496 [0,0,0,0,0,0|1,0,2]=3 61 B6R1.2 O[C@H]1CCNC1 P0679 [0,0,0,0,0,0|1,0,2]=3 62 B6R1.2 O[C@H]1CCOC1 H0466 [0,0,0,0,0,0|0,1,2]=3 63 B6R1.2 O[C@H]1CCOC1 H10322 [0,0,0,0,0,0|0,1,2]=3 64 B6R1.2 O[C@H]1CNOC1 K39924 [0,0,0,0,0,0|1,1,2]=4 65 B6R1.2 [Mg+][C@H]1CCOC1 T2962 [0,0,0,0,0,0|1,1,1]=3 66 B5R1.1 C1=CCNC1 D40328 [1,0,0,0,0,0|1,0,1]=3 67 B5R1.1 C1=CSC=N1 T0971 [1,0,0,0,0,0|1,0,2]=4 68 B5R1.1 C1=CSN=C1 T39830 [1,0,0,0,0,0|1,0,2]=4 69 B5R1.1 C1CNNC1 P39938 [1,0,0,0,0,0|2,0,1]=4 70 B5R1.1 C1CSCN1 T38217 [1,0,0,0,0,0|1,0,0]=2 71 B5R1.1 C1CSCN1 T60563 [1,0,0,0,0,0|1,0,0]=2 72 B7R1.1 BrCC1=CCCC1 B7551 [0,1,0,0,0,0|2,0,1]=4 73 B7R1.1 BrCC1CCCC1 B23399 [0,1,0,0,0,0|2,0,1]=4 74 B7R1.1 BrC[C@H]1CCOC1 T0399 [0,1,0,0,0,0|1,1,1]=4 75 B7R1.1 C#C[C@H]1CCOC1 E11326 [0,1,0,0,0,0|1,1,1]=4 76 B7R1.1 CC[C@@H]1CCNC1 E22541 [0,1,0,0,0,0|2,0,1]=4 77 B7R1.1 CC[C@H]1CCNC1 E22542 [0,1,0,0,0,0|2,0,1]=4 78 B7R1.1 CN[C@@H]1CCOC1 M15031 [0,1,0,0,0,0|1,1,1]=4 79 B7R1.1 CN[C@H]1CCOC1 M1156 [0,1,0,0,0,0|1,1,1]=4 80 B7R1.1 COC1=NCCC1 M69559 [0,1,0,0,0,0|2,0,1]=4 81 B7R1.1 CO[C@@H]1CCNC1 M0200 [0,1,0,0,0,0|1,0,2]=4 82 B7R1.1 CO[C@@H]1CCNC1 M12251 [0,1,0,0,0,0|1,0,2]=4 83 B7R1.1 CO[C@H]1CCNC1 M1159 [0,1,0,0,0,0|1,0,2]=4 84 B7R1.1 CO[C@H]1CCNC1 M7459 [0,1,0,0,0,0|1,0,2]=4 85 B7R1.1 FC[C@@H]1CCNC1 F60420 [0,1,0,0,0,0|2,0,1]=4 86 B7R1.1 IC[C@H]1CCOC1 I12451 [0,1,0,0,0,0|1,1,1]=4 87 B7R1.1 N#C[C@@H]1CCNC1 P1832 [0,1,0,0,0,0|2,0,1]=4 88 B7R1.1 N#C[C@@H]1CCOC1 T12072 [0,1,0,0,0,0|1,1,1]=4 89 B7R1.1 N#C[C@H]1CCNC1 C7506 [0,1,0,0,0,0|2,0,1]=4 90 B7R1.1 N#C[C@H]1CCNC1 P12308 [0,1,0,0,0,0|2,0,1]=4 91 B7R1.1 N#C[C@H]1CCNC1 P1833 [0,1,0,0,0,0|2,0,1]=4 92 B7R1.1 N#C[C@H]1CCOC1 T12073 [0,1,0,0,0,0|1,1,1]=4 93 B7R1.1 N#C[C@H]1CCOC1 T12452 [0,1,0,0,0,0|1,1,1]=4 94 B7R1.1 NCC1CCCC1 C5395 [0,1,0,0,0,0|2,0,1]=4 95 B7R1.1 NC[C@@H]1CCOC1 T10325 [0,1,0,0,0,0|1,1,1]=4 96 B7R1.1 NC[C@@H]1CCOC1 T1675 [0,1,0,0,0,0|1,1,1]=4 97 B7R1.1 NC[C@H]1CCOC1 T10324 [0,1,0,0,0,0|1,1,1]=4 98 B7R1.1 NC[C@H]1CCOC1 T1153 [0,1,0,0,0,0|1,1,1]=4 99 B7R1.1 NC[C@H]1CCOC1 T1674 [0,1,0,0,0,0|1,1,1]=4 100 B7R1.1 NC[C@H]1CCOC1 T7262 [0,1,0,0,0,0|1,1,1]=4 101 B7R1.1 NNC1CCCC1 C22580 [0,1,0,0,0,0|2,0,1]=4 102 B7R1.1 O=CC1=CCCC1 C69466 [0,1,0,0,0,0|1,0,1]=3 103 B7R1.1 O=CC1=CSC=C1 T12697 [0,1,0,0,0,0|0,0,3]=4 104 B7R1.1 O=CC1=CSC=N1 T2159 [0,1,0,0,0,0|1,0,2]=4 105 B7R1.1 O=CC1CCCC1 C25963 [0,1,0,0,0,0|1,0,1]=3 106 B7R1.1 OCC1CCCC1 C23297 [0,1,0,0,0,0|1,0,2]=4 107 B7R1.1 OC[C@@H]1CCNC1 H11286 [0,1,0,0,0,0|1,0,2]=4 108 B7R1.1 OC[C@@H]1CCNC1 P1348 [0,1,0,0,0,0|1,0,2]=4 109 B7R1.1 OC[C@@H]1CCOC1 T0397 [0,1,0,0,0,0|0,1,2]=4 110 B7R1.1 OC[C@H]1CCNC1 H1594 [0,1,0,0,0,0|1,0,2]=4 111 B7R1.1 OC[C@H]1CCNC1 H7915 [0,1,0,0,0,0|1,0,2]=4 112 B7R1.1 OC[C@H]1CCNC1 P1155 [0,1,0,0,0,0|1,0,2]=4 113 B7R1.1 OC[C@H]1CCNC1 P41328 [0,1,0,0,0,0|1,0,2]=4 114 B7R1.1 OC[C@H]1CCNC1 P6954 [0,1,0,0,0,0|1,0,2]=4 115 B7R1.1 OC[C@H]1CCOC1 T0396 [0,1,0,0,0,0|0,1,2]=4 116 B7R1.1 OC[C@H]1CCOC1 T0398 [0,1,0,0,0,0|0,1,2]=4 117 B7R1.2 CC1=CC(=O)CC1 M22783 [0,1,0,0,0,0|1,0,1]=3 118 B7R1.2 CC1=CC(=O)CO1 M41117 [0,1,0,0,0,0|0,1,2]=4 119 B7R1.2 CC1=NNC(=O)C1 M68628 [0,1,0,0,0,0|2,0,1]=4 120 B7R1.2 CN1CCC(=O)C1 M5444 [0,1,0,0,0,0|1,0,0]=2 121 B7R1.2 CN1CC[C@@H](N)C1 M0134 [0,1,0,0,0,0|2,0,1]=4 122 B7R1.2 CN1CC[C@@H](O)C1 H0285 [0,1,0,0,0,0|1,0,2]=4 123 B7R1.2 CN1CC[C@H](N)C1 M0133 [0,1,0,0,0,0|2,0,1]=4 124 B7R1.2 CN1CC[C@H](N)C1 M0135 [0,1,0,0,0,0|2,0,1]=4 125 B7R1.2 CN1CC[C@H](O)C1 H0283 [0,1,0,0,0,0|1,0,2]=4 126 B7R1.2 CN1CC[C@H](O)C1 H0284 [0,1,0,0,0,0|1,0,2]=4 127 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [0,1,0,0,0,0|2,0,0]=3 128 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [0,1,0,0,0,0|3,0,0]=4 129 B7R1.2 C[C@@H]1C[C@H](O)CN1 M29502 [0,1,0,0,0,0|1,0,2]=4 130 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [0,1,0,0,0,0|2,0,0]=3 131 B7R1.2 C[C@H]1COC(=O)N1 M40226 [0,1,0,0,0,0|3,0,0]=4 132 B7R1.2 C[C@H]1C[C@H](O)CN1 M29501 [0,1,0,0,0,0|1,0,2]=4 133 B7R1.2 NC1=NC(=O)CO1 A39836 [0,1,0,0,0,0|1,1,1]=4 134 B7R1.2 NC1=NC(=O)CS1 A2444 [0,1,0,0,0,0|1,0,1]=3 135 B7R1.2 NC1=NC(=O)CS1 A67692 [0,1,0,0,0,0|1,0,1]=3 136 B7R1.2 NC1=NCC(=O)S1 A64749 [0,1,0,0,0,0|2,0,1]=4 137 B7R1.2 NC1=NNC(=O)C1 A39854 [0,1,0,0,0,0|2,0,1]=4 138 B7R1.2 NC1CCC(O)C1 A1764 [0,1,0,0,0,0|1,0,2]=4 139 B7R1.2 N[C@@H]1CC[C@@H](O)C1 A27718 [0,1,0,0,0,0|1,0,2]=4 140 B7R1.2 N[C@@H]1CC[C@H](O)C1 A11831 [0,1,0,0,0,0|1,0,2]=4 141 B7R1.2 N[C@@H]1CC[C@H](O)C1 A18160 [0,1,0,0,0,0|1,0,2]=4 142 B7R1.2 N[C@@H]1CNC(=O)C1 A11620 [0,1,0,0,0,0|2,0,0]=3 143 B7R1.2 N[C@@H]1CNC(=O)C1 A20556 [0,1,0,0,0,0|2,0,0]=3 144 B7R1.2 N[C@@H]1CNC(=O)C1 A24834 [0,1,0,0,0,0|2,0,0]=3 145 B7R1.2 N[C@@H]1CNC(=O)C1 P21713 [0,1,0,0,0,0|2,0,0]=3 146 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [0,1,0,0,0,0|2,0,0]=3 147 B7R1.2 N[C@H]1CC[C@@H](F)C1 F60334 [0,1,0,0,0,0|2,0,1]=4 148 B7R1.2 N[C@H]1CC[C@@H](N)C1 C41386 [0,1,0,0,0,0|2,0,1]=4 149 B7R1.2 N[C@H]1CC[C@@H](O)C1 A18401 [0,1,0,0,0,0|1,0,2]=4 150 B7R1.2 N[C@H]1CC[C@H](N)C1 C41388 [0,1,0,0,0,0|2,0,1]=4 151 B7R1.2 N[C@H]1CC[C@H](O)C1 A11832 [0,1,0,0,0,0|1,0,2]=4 152 B7R1.2 N[C@H]1CC[C@H](O)C1 A20210 [0,1,0,0,0,0|1,0,2]=4 153 B7R1.2 N[C@H]1CNC(=O)C1 A27147 [0,1,0,0,0,0|2,0,0]=3 154 B7R1.2 N[C@H]1COC(=O)C1 A37707 [0,1,0,0,0,0|2,0,0]=3 155 B7R1.2 O=C1C=C(Br)CO1 B3416 [0,1,0,0,0,0|2,0,1]=4 156 B7R1.2 O=C1CC(O)=CO1 H1405 [0,1,0,0,0,0|2,0,1]=4 157 B7R1.2 O=C1CCC(=O)C1 C13761 [0,1,0,0,0,0|1,0,0]=2 158 B7R1.2 O=C1CC[C@H](O)C1 H22750 [0,1,0,0,0,0|1,0,0]=2 159 B7R1.2 O=C1CNC(=O)N1 K68378 [0,1,0,0,0,0|2,0,1]=4 160 B7R1.2 O=C1CNC(=O)O1 X68377 [0,1,0,0,0,0|2,0,1]=4 161 B7R1.2 O=C1CSC(=O)N1 T69276 [0,1,0,0,0,0|1,0,1]=3 162 B7R1.2 O=C1CSC(=S)N1 T68348 [0,1,0,0,0,0|1,0,1]=3 163 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [0,1,0,0,0,0|2,0,0]=3 164 B7R1.2 O=C1C[C@@H](S)CN1 M12154 [0,1,0,0,0,0|2,0,0]=3 165 B7R1.2 O=C1C[C@H](O)CN1 H15629 [0,1,0,0,0,0|2,0,0]=3 166 B7R1.2 O=C1C[C@H](O)CN1 H38056 [0,1,0,0,0,0|2,0,0]=3 167 B7R1.2 O=C1OC[C@H](F)O1 F39135 [0,1,0,0,0,0|3,0,0]=4 168 B7R1.2 OC1CCC(O)C1 C24450 [0,1,0,0,0,0|1,0,2]=4 169 B7R1.2 O[C@@H]1CC[C@@H](O)C1 C20800 [0,1,0,0,0,0|1,0,2]=4 170 B7R1.2 O[C@H]1CC[C@@H](O)C1 C20799 [0,1,0,0,0,0|1,0,2]=4 171 B7R1.4 BrC1=C(Br)CCC1 D68539 [0,1,0,0,0,0|2,0,1]=4 172 B7R1.4 CN1CCCC1=S M6872 [0,1,0,0,0,0|2,1,0]=4 173 B7R1.4 CN1CCNC1=O M40241 [0,1,0,0,0,0|3,0,0]=4 174 B7R1.4 CN1N=CCC1=O M40183 [0,1,0,0,0,0|2,0,1]=4 175 B7R1.4 C[C@@H]1CNC[C@@H]1O M22730 [0,1,0,0,0,0|1,0,2]=4 176 B7R1.4 C[C@@H]1COC[C@H]1N F30099 [0,1,0,0,0,0|1,1,1]=4 177 B7R1.4 C[C@@H]1OCCC1=O M41223 [0,1,0,0,0,0|0,1,0]=2 178 B7R1.4 C[C@H]1CCCC1=O M41458 [0,1,0,0,0,0|1,0,0]=2 179 B7R1.4 C[C@H]1CCNC1=O M41257 [0,1,0,0,0,0|2,0,0]=3 180 B7R1.4 C[C@H]1CCOC1=O M41224 [0,1,0,0,0,0|2,0,0]=3 181 B7R1.4 F[C@@H]1CNC[C@H]1F D59711 [0,1,0,0,0,0|2,0,1]=4 182 B7R1.4 F[C@H]1CNC[C@@H]1F D25918 [0,1,0,0,0,0|2,0,1]=4 183 B7R1.4 F[C@H]1CNC[C@H]1F D11635 [0,1,0,0,0,0|2,0,1]=4 184 B7R1.4 NC1CCCC1O A40401 [0,1,0,0,0,0|1,0,2]=4 185 B7R1.4 NC1COCC1O A32163 [0,1,0,0,0,0|0,1,2]=4 186 B7R1.4 NN1CCCC1=O A22230 [0,1,0,0,0,0|2,0,0]=3 187 B7R1.4 N[C@@H]1CCC[C@@H]1O A67556 [0,1,0,0,0,0|1,0,2]=4 188 B7R1.4 N[C@@H]1CCC[C@H]1F F59997 [0,1,0,0,0,0|2,0,1]=4 189 B7R1.4 N[C@@H]1CCC[C@H]1N C41387 [0,1,0,0,0,0|2,0,1]=4 190 B7R1.4 N[C@@H]1CCC[C@H]1O A27146 [0,1,0,0,0,0|1,0,2]=4 191 B7R1.4 N[C@@H]1CCC[C@H]1O A40405 [0,1,0,0,0,0|1,0,2]=4 192 B7R1.4 N[C@@H]1CCC[C@H]1O A41326 [0,1,0,0,0,0|1,0,2]=4 193 B7R1.4 N[C@@H]1CCNC1=O A40242 [0,1,0,0,0,0|2,0,0]=3 194 B7R1.4 N[C@@H]1CCNC1=O A62971 [0,1,0,0,0,0|2,0,0]=3 195 B7R1.4 N[C@@H]1CCOC1=O H68344 [0,1,0,0,0,0|2,0,0]=3 196 B7R1.4 N[C@@H]1CNC[C@H]1F F63102 [0,1,0,0,0,0|2,0,1]=4 197 B7R1.4 N[C@@H]1COC[C@@H]1N T10671 [0,1,0,0,0,0|1,1,1]=4 198 B7R1.4 N[C@@H]1COC[C@@H]1N X29480 [0,1,0,0,0,0|1,1,1]=4 199 B7R1.4 N[C@@H]1COC[C@H]1N T10670 [0,1,0,0,0,0|1,1,1]=4 200 B7R1.4 N[C@@H]1COC[C@H]1O A13516 [0,1,0,0,0,0|0,1,2]=4 201 B7R1.4 N[C@@H]1COC[C@H]1O A20318 [0,1,0,0,0,0|0,1,2]=4 202 B7R1.4 N[C@@H]1COC[C@H]1O A40351 [0,1,0,0,0,0|0,1,2]=4 203 B7R1.4 N[C@H]1CCC[C@@H]1O A24888 [0,1,0,0,0,0|1,0,2]=4 204 B7R1.4 N[C@H]1CCC[C@H]1O A41327 [0,1,0,0,0,0|1,0,2]=4 205 B7R1.4 N[C@H]1CCNC1=O A24294 [0,1,0,0,0,0|2,0,0]=3 206 B7R1.4 N[C@H]1CCOC1=O A40300 [0,1,0,0,0,0|2,0,0]=3 207 B7R1.4 N[C@H]1CCOC1=O A40335 [0,1,0,0,0,0|2,0,0]=3 208 B7R1.4 N[C@H]1COC[C@@H]1N T10669 [0,1,0,0,0,0|1,1,1]=4 209 B7R1.4 N[C@H]1COC[C@@H]1N T10672 [0,1,0,0,0,0|1,1,1]=4 210 B7R1.4 N[C@H]1COC[C@@H]1O A13517 [0,1,0,0,0,0|0,1,2]=4 211 B7R1.4 O=C1CCC=C1Br B3409 [0,1,0,0,0,0|1,0,1]=3 212 B7R1.4 O=C1CCC=C1O H41119 [0,1,0,0,0,0|1,0,1]=3 213 B7R1.4 O=C1NCC[C@@H]1O H20173 [0,1,0,0,0,0|2,0,0]=3 214 B7R1.4 O=C1NCC[C@@H]1O H37914 [0,1,0,0,0,0|2,0,0]=3 215 B7R1.4 O=C1NCC[C@H]1O H40227 [0,1,0,0,0,0|2,0,0]=3 216 B7R1.4 O=C1OCC[C@@H]1Br B31114 [0,1,0,0,0,0|2,0,0]=3 217 B7R1.4 O[C@@H]1CCC[C@H]1O C67710 [0,1,0,0,0,0|1,0,2]=4 218 B7R1.4 O[C@@H]1CNC[C@@H]1F F59931 [0,1,0,0,0,0|1,0,2]=4 219 B7R1.4 O[C@@H]1CNC[C@H]1F F11643 [0,1,0,0,0,0|1,0,2]=4 220 B7R1.4 O[C@@H]1CNC[C@H]1F F20203 [0,1,0,0,0,0|1,0,2]=4 221 B7R1.4 O[C@@H]1CNC[C@H]1O P11870 [0,1,0,0,0,0|1,0,2]=4 222 B7R1.4 O[C@H]1CNC[C@@H]1O D11637 [0,1,0,0,0,0|1,0,2]=4 223 B7R1.4 O[C@H]1CNC[C@@H]1O P11869 [0,1,0,0,0,0|1,0,2]=4 224 B7R1.4 O[C@H]1CNC[C@@H]1O P31835 [0,1,0,0,0,0|1,0,2]=4 225 B7R1.4 O[C@H]1CNC[C@H]1O D11638 [0,1,0,0,0,0|1,0,2]=4 226 B7R1.4 O[C@H]1COC[C@H]1O A10821 [0,1,0,0,0,0|0,1,2]=4 227 B7R1.14 CC1(C)CCNC1 D1149 [0,1,0,0,0,0|2,0,1]=4 228 B7R1.14 CC1(O)CCCC1 M41551 [0,1,0,0,0,0|1,0,2]=4 229 B7R1.14 C[C@@]1(O)CCNC1 M23456 [0,1,0,0,0,0|1,0,2]=4 230 B7R1.14 C[C@]1(F)CCNC1 F29656 [0,1,0,0,0,0|2,0,1]=4 231 B7R1.14 C[C@]1(N)CCOC1 A11772 [0,1,0,0,0,0|1,1,1]=4 232 B7R1.14 C[C@]1(O)CCNC1 H0280 [0,1,0,0,0,0|1,0,2]=4 233 B7R1.14 C[C@]1(O)CCNC1 M10113 [0,1,0,0,0,0|1,0,2]=4 234 B7R1.14 C[C@]1(O)CCNC1 M18574 [0,1,0,0,0,0|1,0,2]=4 235 B7R1.14 C[C@]1(O)CCNC1 M59983 [0,1,0,0,0,0|1,0,2]=4 236 B7R1.14 FC1(F)CCNC1 D5712 [0,1,0,0,0,0|2,0,1]=4 237 B7R1.14 O=S1(=O)C=CCC1 D1486 [0,1,0,0,0,0|2,0,1]=4 238 B7R1.14 O=S1(=O)CCCN1 P12719 [0,1,0,0,0,0|3,0,0]=4 239 B7R1.14 O=S1(=O)CCCO1 X68360 [0,1,0,0,0,0|3,0,0]=4 240 B5R0.1 C#CCC(=O)O B38084 [0,0,1,0,0,0|2,0,1]=4 241 B5R0.1 C=C(C)CON M40345 [0,0,1,0,0,0|2,1,0]=4 242 B5R0.1 C=C(C)OCC E5573 [0,0,1,0,0,0|3,0,0]=4 243 B5R0.1 CC#CC(=O)O B67945 [0,0,1,0,0,0|2,0,1]=4 244 B5R0.1 CC(=O)CC#N X40158 [0,0,1,0,0,0|1,0,1]=3 245 B5R0.1 CC(=O)CCCl C69539 [0,0,1,0,0,0|1,0,0]=2 246 B5R0.1 CCC[C@@H](C)N P16023 [0,0,1,0,0,0|2,0,1]=4 247 B5R0.1 CCC[C@H](C)N P22363 [0,0,1,0,0,0|2,0,1]=4 248 B5R0.1 CCOC(C)=N E68065 [0,0,1,0,0,0|3,0,0]=4 249 B5R0.1 CN(C)CCBr B39953 [0,0,1,0,0,0|3,0,0]=4 250 B5R0.1 CNCC(=O)O M68590 [0,0,1,0,0,0|2,0,0]=3 251 B5R0.1 CNCC(N)=O M68358 [0,0,1,0,0,0|2,0,0]=3 252 B5R0.1 COCC(=N)N M39928 [0,0,1,0,0,0|2,1,0]=4 253 B5R0.1 COCC(=O)O M69331 [0,0,1,0,0,0|1,1,0]=3 254 B5R0.1 COC[C@@H](C)N M40311 [0,0,1,0,0,0|1,1,1]=4 255 B5R0.1 COC[C@@H](C)O M39959 [0,0,1,0,0,0|0,1,2]=4 256 B5R0.1 COC[C@H](C)O M61064 [0,0,1,0,0,0|0,1,2]=4 257 B5R0.1 C[C@@H](N)CCO A10772 [0,0,1,0,0,0|1,1,1]=4 258 B5R0.1 C[C@H](N)CCO A10771 [0,0,1,0,0,0|1,1,1]=4 259 B5R0.1 C[C@H](N)CCO A39964 [0,0,1,0,0,0|1,1,1]=4 260 B5R0.1 C[C@H](O)CCO B68917 [0,0,1,0,0,0|0,1,2]=4 261 B5R0.1 N#CCC(N)=O C60562 [0,0,1,0,0,0|2,0,1]=4 262 B5R0.1 NCCC(N)=O A67869 [0,0,1,0,0,0|2,0,0]=3 263 B5R0.1 NCC[P@H](=O)O A39788 [0,0,1,0,0,0|3,0,0]=4 264 B5R0.1 NOCC(=O)O C40302 [0,0,1,0,0,0|2,1,0]=4 265 B5R0.1 O=[N+]([O-])CCO N39779 [0,0,1,0,0,0|2,1,0]=4 266 B5R0.2 C=CCCCBr B41237 [0,0,1,0,0,0|3,0,0]=4 267 B5R0.2 C=CCCCCl C41238 [0,0,1,0,0,0|3,0,0]=4 268 B5R0.2 C=CCCCO P36921 [0,0,1,0,0,0|3,0,0]=4 269 B5R0.2 CCCCON B40310 [0,0,1,0,0,0|3,0,0]=4 270 B5R0.2 CCO\C=C/Br B2725 [0,0,1,0,0,0|1,1,1]=4 271 B5R0.2 CNCCCCl C39954 [0,0,1,0,0,0|2,0,1]=4 272 B5R0.2 CNCCCO M36844 [0,0,1,0,0,0|1,0,2]=4 273 B5R0.2 CNCCOC M23409 [0,0,1,0,0,0|2,1,0]=4 274 B5R0.2 COCCC#N M39153 [0,0,1,0,0,0|1,1,1]=4 275 B5R0.2 COCCCBr B68335 [0,0,1,0,0,0|1,1,1]=4 276 B5R0.2 COCCCO M69411 [0,0,1,0,0,0|0,1,2]=4 277 B5R0.3 C#CC(=O)OC M40108 [0,0,1,0,0,0|2,0,1]=4 278 B5R0.3 C=C(CBr)CBr B36829 [0,0,1,0,0,0|3,0,0]=4 279 B5R0.3 C=C(CCl)CCl C10867 [0,0,1,0,0,0|3,0,0]=4 280 B5R0.3 C=C(CO)CO M5145 [0,0,1,0,0,0|2,1,0]=4 281 B5R0.3 C=CC(=O)NC M37664 [0,0,1,0,0,0|2,0,1]=4 282 B5R0.3 CCC(=N)NO H39883 [0,0,1,0,0,0|2,1,0]=4 283 B5R0.3 CCC(=O)CN A32390 [0,0,1,0,0,0|1,0,0]=2 284 B5R0.3 CCC(=O)CO H36713 [0,0,1,0,0,0|0,1,0]=2 285 B5R0.3 CCC(N)CC P40440 [0,0,1,0,0,0|2,0,1]=4 286 B5R0.3 CC[C@@H](N)CO A39144 [0,0,1,0,0,0|1,1,1]=4 287 B5R0.3 CC[C@@H](O)CO B39955 [0,0,1,0,0,0|0,1,2]=4 288 B5R0.3 CC[C@H](N)CO A39145 [0,0,1,0,0,0|1,1,1]=4 289 B5R0.3 CC[C@H](O)CO B39956 [0,0,1,0,0,0|0,1,2]=4 290 B5R0.3 CNC(=O)CBr B60913 [0,0,1,0,0,0|2,0,0]=3 291 B5R0.3 CNC(=O)CCl C67921 [0,0,1,0,0,0|2,0,0]=3 292 B5R0.3 COC(=O)CN M69126 [0,0,1,0,0,0|2,0,0]=3 293 B5R0.3 COC(=O)CO M67586 [0,0,1,0,0,0|1,1,0]=3 294 B5R0.3 NNC(=O)CO H32091 [0,0,1,0,0,0|2,1,0]=4 295 B5R0.3 O=C(CCl)CCl D4849 [0,0,1,0,0,0|2,0,0]=3 296 B7R2.11 C1CN2CN1C2 D40240 [0,0,0,1,0,0|3,0,0]=4 297 B7R2.11 C1NC2CC1C2 A10797 [0,0,0,1,0,0|2,0,1]=4 298 B7R2.11 C1NC2CC1C2 A6593 [0,0,0,1,0,0|2,0,1]=4 299 B7R2.13 C1CC2CC2N1 A13958 [0,0,0,1,0,0|2,0,1]=4 300 B7R2.13 C1CC2CC2N1 A25593 [0,0,0,1,0,0|2,0,1]=4 301 B7R2.13 C1NCC2CC12 A13737 [0,0,0,1,0,0|2,0,1]=4 302 B7R2.13 C1NCC2CC12 A1579 [0,0,0,1,0,0|2,0,1]=4 303 B7R2.13 C1OCC2OC12 E12004 [0,0,0,1,0,0|0,1,2]=4 304 B5R1.2 BrC1CCC1 B23687 [0,0,0,0,1,0|1,0,1]=3 305 B5R1.2 BrC1CNC1 B13326 [0,0,0,0,1,0|2,0,1]=4 306 B5R1.2 BrC1COC1 B5688 [0,0,0,0,1,0|1,1,1]=4 307 B5R1.2 CC1CNC1 M1321 [0,0,0,0,1,0|2,0,1]=4 308 B5R1.2 C[C@H]1CCN1 M29512 [0,0,0,0,1,0|2,0,1]=4 309 B5R1.2 ClC1CNC1 C1323 [0,0,0,0,1,0|2,0,1]=4 310 B5R1.2 ClC1COC1 C8470 [0,0,0,0,1,0|1,1,1]=4 311 B5R1.2 FC1CNC1 F5255 [0,0,0,0,1,0|2,0,1]=4 312 B5R1.2 IC1CCC1 I23424 [0,0,0,0,1,0|1,0,1]=3 313 B5R1.2 IC1CNC1 I13327 [0,0,0,0,1,0|2,0,1]=4 314 B5R1.2 IC1COC1 I5689 [0,0,0,0,1,0|1,1,1]=4 315 B5R1.2 NC1CCC1 C60561 [0,0,0,0,1,0|1,0,1]=3 316 B5R1.2 NC1CNC1 A5482 [0,0,0,0,1,0|2,0,1]=4 317 B5R1.2 NC1COC1 O5613 [0,0,0,0,1,0|1,1,1]=4 318 B5R1.2 NC1CSC1 T6025 [0,0,0,0,1,0|1,0,1]=3 319 B5R1.2 O=C1CCC1 C8674 [0,0,0,0,1,0|0,0,0]=1 320 B5R1.2 O=C1CNC1 A1318 [0,0,0,0,1,0|1,0,0]=2 321 B5R1.2 O=C1COC1 O4015 [0,0,0,0,1,0|0,1,0]=2 322 B5R1.2 O=C1CSC1 T6026 [0,0,0,0,1,0|0,0,0]=1 323 B5R1.2 OC1CNC1 H2864 [0,0,0,0,1,0|1,0,2]=4 324 B5R1.2 OC1COC1 O5686 [0,0,0,0,1,0|0,1,2]=4 325 B5R1.2 SC1CNC1 A11453 [0,0,0,0,1,0|1,1,1]=4 326 B5R1.2 SC1COC1 O8471 [0,0,0,0,1,0|0,2,1]=4 327 B5R1.2 [Mg+]C1CCC1 P5028 [0,0,0,0,1,0|1,0,1]=3 328 B7R1.3 BrC1CCCCC1 B69054 [0,0,0,0,0,1|2,0,1]=4 329 B7R1.3 BrC1CCNCC1 B40375 [0,0,0,0,0,1|2,0,1]=4 330 B7R1.3 BrC1CCOCC1 B1507 [0,0,0,0,0,1|1,1,1]=4 331 B7R1.3 BrC1CCSCC1 B31817 [0,0,0,0,0,1|1,0,1]=3 332 B7R1.3 C=C1CCNCC1 M19855 [0,0,0,0,0,1|2,0,0]=3 333 B7R1.3 C=C1CCOCC1 M23324 [0,0,0,0,0,1|1,1,0]=3 334 B7R1.3 CC1=CCCNC1 M12102 [0,0,0,0,0,1|2,0,0]=3 335 B7R1.3 CC1=CCNCC1 M26826 [0,0,0,0,0,1|2,0,0]=3 336 B7R1.3 CN1CCNCC1 M13367 [0,0,0,0,0,1|3,0,0]=4 337 B7R1.3 C[C@@H]1CCCNC1 M43474 [0,0,0,0,0,1|2,0,1]=4 338 B7R1.3 C[C@@H]1CNCCN1 M10716 [0,0,0,0,0,1|2,0,1]=4 339 B7R1.3 C[C@@H]1CNCCO1 M15403 [0,0,0,0,0,1|2,0,1]=4 340 B7R1.3 C[C@@H]1CNCCO1 M28760 [0,0,0,0,0,1|2,0,1]=4 341 B7R1.3 C[C@@H]1COCCN1 M26868 [0,0,0,0,0,1|1,1,1]=4 342 B7R1.3 C[C@@H]1COCCN1 M9009 [0,0,0,0,0,1|1,1,1]=4 343 B7R1.3 C[C@H]1CCCCN1 M43475 [0,0,0,0,0,1|2,0,1]=4 344 B7R1.3 C[C@H]1CNCCN1 M10717 [0,0,0,0,0,1|2,0,1]=4 345 B7R1.3 C[C@H]1CNCCO1 M15401 [0,0,0,0,0,1|2,0,1]=4 346 B7R1.3 C[C@H]1CNCCO1 M15402 [0,0,0,0,0,1|2,0,1]=4 347 B7R1.3 C[C@H]1CNCCO1 M29509 [0,0,0,0,0,1|2,0,1]=4 348 B7R1.3 C[C@H]1CNCCO1 M41323 [0,0,0,0,0,1|2,0,1]=4 349 B7R1.3 C[C@H]1COCCN1 M23631 [0,0,0,0,0,1|1,1,1]=4 350 B7R1.3 C[C@H]1COCCN1 M41324 [0,0,0,0,0,1|1,1,1]=4 351 B7R1.3 C[C@H]1COCCN1 M8924 [0,0,0,0,0,1|1,1,1]=4 352 B7R1.3 ClC1CCNCC1 C40376 [0,0,0,0,0,1|2,0,1]=4 353 B7R1.3 ClC1CCOCC1 C4527 [0,0,0,0,0,1|1,1,1]=4 354 B7R1.3 FC1CCNCC1 F6080 [0,0,0,0,0,1|2,0,1]=4 355 B7R1.3 F[C@@H]1CCCNC1 F7495 [0,0,0,0,0,1|2,0,1]=4 356 B7R1.3 F[C@H]1CCCNC1 F1651 [0,0,0,0,0,1|2,0,1]=4 357 B7R1.3 F[C@H]1CCCNC1 F7461 [0,0,0,0,0,1|2,0,1]=4 358 B7R1.3 IC1CCOCC1 I1189 [0,0,0,0,0,1|1,1,1]=4 359 B7R1.3 IC1CCSCC1 I31818 [0,0,0,0,0,1|1,0,1]=3 360 B7R1.3 NC1=NCCCN1 A40341 [0,0,0,0,0,1|3,0,0]=4 361 B7R1.3 NC1CCCCC1 C39283 [0,0,0,0,0,1|2,0,1]=4 362 B7R1.3 NC1CCNCC1 P67610 [0,0,0,0,0,1|2,0,1]=4 363 B7R1.3 NC1CCOCC1 A1504 [0,0,0,0,0,1|1,1,1]=4 364 B7R1.3 NC1CCOCC1 T1169 [0,0,0,0,0,1|1,1,1]=4 365 B7R1.3 NC1CCSCC1 T22381 [0,0,0,0,0,1|1,0,1]=3 366 B7R1.3 NC1CCSCC1 T5312 [0,0,0,0,0,1|1,0,1]=3 367 B7R1.3 NN1CCOCC1 A39946 [0,0,0,0,0,1|2,1,0]=4 368 B7R1.3 N[C@@H]1CCCNC1 A10836 [0,0,0,0,0,1|2,0,1]=4 369 B7R1.3 N[C@@H]1CCCNC1 P32424 [0,0,0,0,0,1|2,0,1]=4 370 B7R1.3 N[C@@H]1CCCOC1 X18615 [0,0,0,0,0,1|1,1,1]=4 371 B7R1.3 N[C@H]1CCCNC1 P41385 [0,0,0,0,0,1|2,0,1]=4 372 B7R1.3 N[C@H]1CCCNC1 P67457 [0,0,0,0,0,1|2,0,1]=4 373 B7R1.3 N[C@H]1CCCOC1 T1132 [0,0,0,0,0,1|1,1,1]=4 374 B7R1.3 N[C@H]1CCCOC1 X17960 [0,0,0,0,0,1|1,1,1]=4 375 B7R1.3 O=C1C=CCCN1 D67780 [0,0,0,0,0,1|1,0,1]=3 376 B7R1.3 O=C1C=CCOC1 P26982 [0,0,0,0,0,1|0,1,1]=3 377 B7R1.3 O=C1CCCCN1 P69632 [0,0,0,0,0,1|1,0,0]=2 378 B7R1.3 O=C1CCCNC1 P1523 [0,0,0,0,0,1|1,0,0]=2 379 B7R1.3 O=C1CCCNC1 P31811 [0,0,0,0,0,1|1,0,0]=2 380 B7R1.3 O=C1CCCOC1 T7026 [0,0,0,0,0,1|0,1,0]=2 381 B7R1.3 O=C1CCCSC1 T1776 [0,0,0,0,0,1|0,0,0]=1 382 B7R1.3 O=C1CCNCC1 P23503 [0,0,0,0,0,1|1,0,0]=2 383 B7R1.3 O=C1CCOCC1 T4632 [0,0,0,0,0,1|0,1,0]=2 384 B7R1.3 O=C1CCSCC1 T6200 [0,0,0,0,0,1|0,0,0]=1 385 B7R1.3 O=C1CNCCN1 P10419 [0,0,0,0,0,1|1,0,0]=2 386 B7R1.3 O=C1COCCN1 M7700 [0,0,0,0,0,1|0,1,0]=2 387 B7R1.3 O=C1COCCO1 D38663 [0,0,0,0,0,1|0,1,0]=2 388 B7R1.3 O=C1CSCCN1 T40230 [0,0,0,0,0,1|0,0,0]=1 389 B7R1.3 O=S1CCNCC1 T5787 [0,0,0,0,0,1|2,0,0]=3 390 B7R1.3 OC1CCNCC1 P24137 [0,0,0,0,0,1|1,0,2]=4 391 B7R1.3 OC1CCNCC1 P41321 [0,0,0,0,0,1|1,0,2]=4 392 B7R1.3 OC1CCOCC1 H0389 [0,0,0,0,0,1|0,1,2]=4 393 B7R1.3 OC1CCSCC1 H31816 [0,0,0,0,0,1|0,0,2]=3 394 B7R1.3 OC1COCOC1 D38760 [0,0,0,0,0,1|0,1,2]=4 395 B7R1.3 O[C@@H]1CCCNC1 H12298 [0,0,0,0,0,1|1,0,2]=4 396 B7R1.3 O[C@@H]1CCCNC1 H1652 [0,0,0,0,0,1|1,0,2]=4 397 B7R1.3 O[C@@H]1CCCOC1 T15984 [0,0,0,0,0,1|0,1,2]=4 398 B7R1.3 O[C@@H]1CNCCO1 M40347 [0,0,0,0,0,1|1,0,2]=4 399 B7R1.3 O[C@H]1CCCNC1 H0276 [0,0,0,0,0,1|1,0,2]=4 400 B7R1.3 O[C@H]1CCCNC1 H10264 [0,0,0,0,0,1|1,0,2]=4 401 B7R1.3 O[C@H]1CCCNC1 H10265 [0,0,0,0,0,1|1,0,2]=4 402 B7R1.3 O[C@H]1CCCNC1 H4736 [0,0,0,0,0,1|1,0,2]=4 403 B7R1.3 O[C@H]1CCCOC1 H11398 [0,0,0,0,0,1|0,1,2]=4 404 B7R1.3 O[C@H]1CCCOC1 T25087 [0,0,0,0,0,1|0,1,2]=4 405 B7R1.3 SC1CCNCC1 P11895 [0,0,0,0,0,1|1,1,1]=4 406 B7R1.3 S[C@H]1CCCNC1 P15399 [0,0,0,0,0,1|1,1,1]=4 407 B7R1.3 [Mg+]C1CCCCC1 C31701 [0,0,0,0,0,1|2,0,1]=4 408 B7R1.3 [Mg+]C1CCOCC1 T8353 [0,0,0,0,0,1|1,1,1]=4 409 B7R1.3 [Mg+]C1CCOCC1 T8354 [0,0,0,0,0,1|1,1,1]=4 410 B7R1.3 [Mg+]C1CCSCC1 T31824 [0,0,0,0,0,1|1,0,1]=3 411 B4R0.1 CC(=O)CN A38843 [1,0,1,0,0,0|1,0,0]=3 412 B4R0.1 CC(=O)CO H60801 [1,0,1,0,0,0|0,1,0]=3 413 B4R0.1 CC(=O)NN A64932 [1,0,1,0,0,0|2,0,0]=4 414 B4R0.1 CCC(=N)N P39882 [1,0,1,0,0,0|2,0,0]=4 415 B4R0.1 CCC(=N)N P39927 [1,0,1,0,0,0|2,0,0]=4 416 B4R0.1 CCC(N)=O P68920 [1,0,1,0,0,0|1,0,0]=3 417 B4R0.1 CC[C@H](C)N B62608 [1,0,1,0,0,0|1,0,1]=4 418 B4R0.1 CC[S@](=O)[O-] S39781 [1,0,1,0,0,0|1,1,0]=4 419 B4R0.1 CSC(=N)N M60715 [1,0,1,0,0,0|2,0,0]=4 420 B4R0.1 NC(=O)CBr B39771 [1,0,1,0,0,0|2,0,0]=4 421 B4R0.1 NC(=O)CI K60849 [1,0,1,0,0,0|2,0,0]=4 422 B4R0.1 NC(=O)CO H68919 [1,0,1,0,0,0|1,1,0]=4 423 B4R0.1 NCC(N)=O G69255 [1,0,1,0,0,0|2,0,0]=4 424 B4R0.2 C=CCCN B21913 [1,0,1,0,0,0|1,0,1]=4 425 B4R0.2 C=CCCO B40252 [1,0,1,0,0,0|0,1,1]=4 426 B4R0.2 CCCNN P39906 [1,0,1,0,0,0|2,0,0]=4 427 B4R0.2 CNCCBr B38473 [1,0,1,0,0,0|2,0,0]=4 428 B4R0.2 CNCCCl C39886 [1,0,1,0,0,0|2,0,0]=4 429 B4R0.2 COCCBr B39138 [1,0,1,0,0,0|1,1,0]=4 430 B4R0.2 COCCI K39881 [1,0,1,0,0,0|1,1,0]=4 431 B4R0.2 CSCCN M62136 [1,0,1,0,0,0|1,0,0]=3 432 B4R0.2 N#CCCS M39860 [1,0,1,0,0,0|1,0,1]=4 433 B6R0.1 C#CCC(=O)OC M41116 [0,1,1,0,0,0|1,0,1]=4 434 B6R0.1 CC#CC(=O)OC M62298 [0,1,1,0,0,0|1,0,1]=4 435 B6R0.1 CC=CC(=O)CC H41457 [0,1,1,0,0,0|1,0,1]=4 436 B6R0.1 CCOC(=O)CN G69291 [0,1,1,0,0,0|2,0,0]=4 437 B6R0.1 CCOC(=O)CO E37817 [0,1,1,0,0,0|2,0,0]=4 438 B6R0.1 CCOC(=O)OC E40254 [0,1,1,0,0,0|2,0,0]=4 439 B6R0.1 CNC(=O)CC#N C40181 [0,1,1,0,0,0|1,0,1]=4 440 B6R0.1 CNC(=O)CCN A40306 [0,1,1,0,0,0|1,0,0]=3 441 B6R0.1 COC(=O)CC#N M68915 [0,1,1,0,0,0|1,0,1]=4 442 B6R0.1 COC(=O)CCBr M39155 [0,1,1,0,0,0|1,0,0]=3 443 B6R0.1 COC(=O)CCN M67902 [0,1,1,0,0,0|1,0,0]=3 444 B6R0.1 COC(=O)CCO M24551 [0,1,1,0,0,0|0,1,0]=3 445 B6R0.1 COC(=O)OCCl C62332 [0,1,1,0,0,0|2,0,0]=4 446 B6R0.1 COCC(=O)NN M39884 [0,1,1,0,0,0|1,1,0]=4 447 B6R0.2 CC(=O)C=C(C)N A41256 [0,1,1,0,0,0|1,0,1]=4 448 B6R0.2 CC(=O)NC(C)C P40402 [0,1,1,0,0,0|2,0,0]=4 449 B6R0.2 CC(=O)O[C@H](C)Br B40231 [0,1,1,0,0,0|2,0,0]=4 450 B6R0.2 CN(C)CC(=O)Cl D40251 [0,1,1,0,0,0|2,0,0]=4 451 B6R0.2 C[C@@H](N)CC(=O)O A37837 [0,1,1,0,0,0|2,0,0]=4 452 B6R0.2 C[C@@H](N)CC(=O)O A40348 [0,1,1,0,0,0|2,0,0]=4 453 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [0,1,1,0,0,0|1,1,0]=4 454 B6R0.2 C[C@H](N)CC(=O)O A40265 [0,1,1,0,0,0|2,0,0]=4 455 B6R0.2 C[C@H](O)CC(=O)O H38871 [0,1,1,0,0,0|1,1,0]=4 456 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [0,1,1,0,0,0|1,1,0]=4 457 B6R0.3 CCN(C)C(C)=O E40404 [0,1,1,0,0,0|2,0,0]=4 458 B6R0.3 CC[C@@H](C)C(=O)O M40381 [0,1,1,0,0,0|2,0,0]=4 459 B6R0.3 CC[C@@H](N)C(N)=O A40305 [0,1,1,0,0,0|2,0,0]=4 460 B6R0.3 CC[C@H](N)C(=O)O A40349 [0,1,1,0,0,0|2,0,0]=4 461 B6R0.3 CC[C@H](N)C(=O)O A68376 [0,1,1,0,0,0|2,0,0]=4 462 B6R0.3 CC[C@H](N)C(N)=O A64477 [0,1,1,0,0,0|2,0,0]=4 463 B6R0.3 CC[C@H](O)C(=O)O H23105 [0,1,1,0,0,0|2,0,0]=4 464 B6R0.3 CN[C@@H](C)C(=O)O M68914 [0,1,1,0,0,0|2,0,0]=4 465 B6R0.3 CN[C@H](C)C(=O)O M63076 [0,1,1,0,0,0|2,0,0]=4 466 B6R0.3 CON(C)C(C)=O M3307 [0,1,1,0,0,0|1,1,0]=4 467 B6R0.3 CO[C@@H](C)C(=O)O M11053 [0,1,1,0,0,0|1,1,0]=4 468 B6R0.3 CO[C@@H](C)C(=O)O M69861 [0,1,1,0,0,0|1,1,0]=4 469 B6R0.3 CO[C@H](C)C(=O)O M8894 [0,1,1,0,0,0|1,1,0]=4 470 B6R0.3 C[C@H](CN)C(=O)O A40352 [0,1,1,0,0,0|2,0,0]=4 471 B6R0.3 NC(=O)[C@H](N)CO A39930 [0,1,1,0,0,0|1,1,0]=4 472 B6R0.3 NC[C@@H](O)C(=O)O A39878 [0,1,1,0,0,0|2,0,0]=4 473 B6R0.3 NC[C@H](N)C(=O)O D39929 [0,1,1,0,0,0|2,0,0]=4 474 B6R0.3 NC[C@H](O)C(=O)O S39877 [0,1,1,0,0,0|2,0,0]=4 475 B6R0.3 N[C@@H](CS)C(=O)O A39926 [0,1,1,0,0,0|1,0,0]=3 476 B6R0.3 N[C@H](CCl)C(=O)O A39869 [0,1,1,0,0,0|2,0,0]=4 477 B6R0.3 N[C@H](CCl)C(=O)O A63558 [0,1,1,0,0,0|2,0,0]=4 478 B6R0.3 N[C@H](CS)C(=O)O A37860 [0,1,1,0,0,0|1,0,0]=3 479 B6R0.3 N[C@H](CS)C(=O)O C67456 [0,1,1,0,0,0|1,0,0]=3 480 B6R0.3 N[C@H](CS)C(=O)O C69203 [0,1,1,0,0,0|1,0,0]=3 481 B6R0.3 O=C(O)[C@@H](Br)CBr D39848 [0,1,1,0,0,0|2,0,0]=4 482 B6R0.3 O=C(O)[C@@H](O)CO D38851 [0,1,1,0,0,0|1,1,0]=4 483 B6R0.4 C#CCCC(=O)O P68088 [0,1,1,0,0,0|2,0,0]=4 484 B6R0.4 C=CCCC(=O)O P37823 [0,1,1,0,0,0|2,0,0]=4 485 B6R0.4 C=CCCC(N)=O P5022 [0,1,1,0,0,0|2,0,0]=4 486 B6R0.4 CC(=O)CCCCl C68599 [0,1,1,0,0,0|1,0,0]=3 487 B6R0.4 CC(=O)NCCN A68626 [0,1,1,0,0,0|1,0,0]=3 488 B6R0.4 CC(=O)NCCO H68625 [0,1,1,0,0,0|0,1,0]=3 489 B6R0.4 CC(=O)OCCBr B67892 [0,1,1,0,0,0|1,0,0]=3 490 B6R0.4 CC(C)=CCCBr B0351 [0,1,1,0,0,0|2,0,0]=4 491 B6R0.4 CC(C)=CCC[Mg+] M31885 [0,1,1,0,0,0|2,0,0]=4 492 B6R0.4 CCCCC(=O)[O-] S38573 [0,1,1,0,0,0|2,0,0]=4 493 B6R0.4 CCCOC(N)=O P40264 [0,1,1,0,0,0|2,0,0]=4 494 B6R0.4 CNCCC(=O)O M40350 [0,1,1,0,0,0|2,0,0]=4 495 B6R0.4 COC=CC(C)=O M41222 [0,1,1,0,0,0|0,1,1]=4 496 B6R0.4 COCCC(=O)O M40255 [0,1,1,0,0,0|1,1,0]=4 497 B6R0.4 N#CCCC(=O)O C69146 [0,1,1,0,0,0|2,0,0]=4 498 B6R0.4 NCCCC(N)=O A40304 [0,1,1,0,0,0|2,0,0]=4 499 B6R0.4 O=C(O)CCCBr B39154 [0,1,1,0,0,0|2,0,0]=4 500 B6R0.4 O=C(O)CCCCl C40232 [0,1,1,0,0,0|2,0,0]=4 501 B6R0.5 CS(=O)(=O)CCBr M62603 [0,1,1,0,0,0|2,0,0]=4 502 B6R0.5 CS(=O)(=O)CCN M37292 [0,1,1,0,0,0|2,0,0]=4 503 B6R0.6 C=CCCCCBr B9212 [0,1,1,0,0,0|2,0,0]=4 504 B6R0.6 C=CCCCCO H41549 [0,1,1,0,0,0|2,0,0]=4 505 B6R0.6 C=CCCCC[Mg+] H5025 [0,1,1,0,0,0|2,0,0]=4 506 B6R0.6 O=CCCCCCl C41277 [0,1,1,0,0,0|1,0,0]=3 507 B6R0.6 O=CCCCCO H32202 [0,1,1,0,0,0|1,0,0]=3 508 B6R0.9 CCN(C=O)CC D68184 [0,1,1,0,0,0|2,0,0]=4 509 B6R1.4 C[C@@H]1OCC1=O M61882 [0,1,0,0,1,0|0,1,0]=3 510 B6R1.4 C[C@H]1COC1=O M6342 [0,1,0,0,1,0|0,1,0]=3 511 B6R1.4 N[C@@H]1CNC1=O A60450 [0,1,0,0,1,0|1,0,0]=3 512 B6R1.4 N[C@H]1CNC1=O A39918 [0,1,0,0,1,0|1,0,0]=3 513 B6R1.5 CC1CC(=O)C1 M17286 [0,1,0,0,1,0|0,0,0]=2 514 B6R1.5 CC1CC(N)C1 M41317 [0,1,0,0,1,0|1,0,1]=4 515 B6R1.5 CN1CC(N)C1 M0108 [0,1,0,0,1,0|2,0,0]=4 516 B6R1.5 CN1CC(O)C1 H0109 [0,1,0,0,1,0|2,0,0]=4 517 B6R1.5 NC1CC(=O)C1 A0660 [0,1,0,0,1,0|0,0,0]=2 518 B6R1.5 NC1CC(F)C1 F0321 [0,1,0,0,1,0|1,0,1]=4 519 B6R1.5 NC1CC(N)C1 C11439 [0,1,0,0,1,0|1,0,1]=4 520 B6R1.5 NC1CC(O)C1 A0319 [0,1,0,0,1,0|0,0,2]=4 521 B6R1.5 NC1CC(O)C1 A23779 [0,1,0,0,1,0|0,0,2]=4 522 B6R1.5 N[C@H]1C[C@@H](F)C1 F11662 [0,1,0,0,1,0|1,0,1]=4 523 B6R1.5 N[C@H]1C[C@@H](N)C1 C11440 [0,1,0,0,1,0|1,0,1]=4 524 B6R1.5 N[C@H]1C[C@@H](N)C1 C14367 [0,1,0,0,1,0|1,0,1]=4 525 B6R1.5 N[C@H]1C[C@@H](O)C1 A0711 [0,1,0,0,1,0|0,0,2]=4 526 B6R1.5 N[C@H]1C[C@@H](O)C1 A15550 [0,1,0,0,1,0|0,0,2]=4 527 B6R1.5 N[C@H]1C[C@H](F)C1 F11661 [0,1,0,0,1,0|1,0,1]=4 528 B6R1.5 N[C@H]1C[C@H](F)C1 F14834 [0,1,0,0,1,0|1,0,1]=4 529 B6R1.5 N[C@H]1C[C@H](N)C1 C11441 [0,1,0,0,1,0|1,0,1]=4 530 B6R1.5 N[C@H]1C[C@H](N)C1 C11442 [0,1,0,0,1,0|1,0,1]=4 531 B6R1.5 N[C@H]1C[C@H](O)C1 A0712 [0,1,0,0,1,0|0,0,2]=4 532 B6R1.5 N[C@H]1C[C@H](O)C1 SB8170 [0,1,0,0,1,0|0,0,2]=4 533 B6R1.5 O=C1CC(Br)C1 B8012 [0,1,0,0,1,0|0,0,0]=2 534 B6R1.5 O=C1CC(F)C1 F13109 [0,1,0,0,1,0|0,0,0]=2 535 B6R1.5 O=C1CC(O)C1 H10121 [0,1,0,0,1,0|0,0,0]=2 536 B6R1.5 OC1CC(F)C1 F13605 [0,1,0,0,1,0|0,0,2]=4 537 B6R1.5 O[C@H]1C[C@@H](F)C1 F14837 [0,1,0,0,1,0|0,0,2]=4 538 B6R1.5 O[C@H]1C[C@H](F)C1 F11668 [0,1,0,0,1,0|0,0,2]=4 539 B6R1.6 ICC1CCC1 I29708 [0,1,0,0,1,0|1,0,1]=4 540 B6R1.6 N#CC1CCC1 C5653 [0,1,0,0,1,0|1,0,1]=4 541 B6R1.6 NCC1CCC1 C0310 [0,1,0,0,1,0|1,0,1]=4 542 B6R1.6 NCC1CCC1 C1144 [0,1,0,0,1,0|1,0,1]=4 543 B6R1.6 NCC1CSC1 T6978 [0,1,0,0,1,0|1,0,1]=4 544 B6R1.6 NNC1CCC1 C37776 [0,1,0,0,1,0|1,0,1]=4 545 B6R1.6 OCC1CCC1 C67424 [0,1,0,0,1,0|0,0,2]=4 546 B6R1.6 OCC1CSC1 T20107 [0,1,0,0,1,0|0,0,2]=4 547 B6R1.6 [Mg+]CC1CCC1 C5036 [0,1,0,0,1,0|1,0,1]=4 548 B6R1.10 CC1(N)CCC1 M15665 [0,1,0,0,1,0|1,0,1]=4 549 B6R1.10 CC1(N)CCC1 M15666 [0,1,0,0,1,0|1,0,1]=4 550 B6R1.10 CC1(N)CCC1 M6467 [0,1,0,0,1,0|1,0,1]=4 551 B6R1.10 CC1(N)CSC1 M30085 [0,1,0,0,1,0|1,0,1]=4 552 B6R1.10 CC1(O)CSC1 M29793 [0,1,0,0,1,0|0,0,2]=4 553 B6R1.10 O=S1(=O)CCC1 T5974 [0,1,0,0,1,0|1,0,0]=3 554 B8R1.2 BrCC1=CCCCC1 B10308 [0,1,0,0,0,1|2,0,0]=4 555 B8R1.2 C#CC1CCSCC1 E13094 [0,1,0,0,0,1|1,0,1]=4 556 B8R1.2 COC1=CCOCC1 M5825 [0,1,0,0,0,1|0,1,1]=4 557 B8R1.2 N#CC1CCSCC1 T13089 [0,1,0,0,0,1|1,0,1]=4 558 B8R1.2 NCC1CCSCC1 T13090 [0,1,0,0,0,1|1,0,1]=4 559 B8R1.2 O=CC1=CCCOC1 D43308 [0,1,0,0,0,1|0,1,0]=3 560 B8R1.2 O=CC1=COCCC1 D43307 [0,1,0,0,0,1|0,1,1]=4 561 B8R1.2 O=CC1CCOCC1 T0115 [0,1,0,0,0,1|0,1,1]=4 562 B8R1.2 O=CC1CCSCC1 T31827 [0,1,0,0,0,1|0,0,1]=3 563 B8R1.2 O=CN1CCCCC1 P68910 [0,1,0,0,0,1|2,0,0]=4 564 B8R1.2 O=CN1CCOCC1 M68909 [0,1,0,0,0,1|1,1,0]=4 565 B8R1.2 OCC1CCSCC1 T13093 [0,1,0,0,0,1|0,0,2]=4 566 B8R1.2 ON=C1CCOCC1 T0658 [0,1,0,0,0,1|0,1,1]=4 567 B8R1.2 ON=C1CCSCC1 T6161 [0,1,0,0,0,1|0,0,1]=3 568 B8R1.3 CC1=NNC(=O)CC1 M41199 [0,1,0,0,0,1|2,0,0]=4 569 B8R1.3 CC1CCC(=O)CC1 M39288 [0,1,0,0,0,1|1,0,0]=3 570 B8R1.3 CN1CCC(=O)CC1 M28326 [0,1,0,0,0,1|1,0,0]=3 571 B8R1.3 C[C@@H]1CNC(=O)CN1 M29571 [0,1,0,0,0,1|1,0,0]=3 572 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [0,1,0,0,0,1|1,0,0]=3 573 B8R1.3 C[C@H]1CNC(=O)CN1 M17917 [0,1,0,0,0,1|1,0,0]=3 574 B8R1.3 NC1CCC(=O)CC1 A38581 [0,1,0,0,0,1|1,0,0]=3 575 B8R1.3 N[C@H]1CCC(=O)NC1 A0587 [0,1,0,0,0,1|1,0,0]=3 576 B8R1.3 O=C1CCC(=O)NC1 P24057 [0,1,0,0,0,1|1,0,0]=3 577 B8R1.3 O=C1CCC(O)CC1 H18838 [0,1,0,0,0,1|1,0,0]=3 578 B8R1.3 O=C1CC[C@H](O)CN1 H22093 [0,1,0,0,0,1|1,0,0]=3 579 B8R1.3 O=C1CNC(=O)CN1 P61806 [0,1,0,0,0,1|1,0,1]=4 580 B8R1.3 O=C1COC(=O)CO1 D40112 [0,1,0,0,0,1|0,1,1]=4 581 B8R1.3 OC1CSC(O)CS1 D69077 [0,1,0,0,0,1|0,0,2]=4 582 B8R1.4 CN1CCCC(=O)C1 M13651 [0,1,0,0,0,1|1,0,0]=3 583 B8R1.4 CN1CCNC(=O)C1 M6975 [0,1,0,0,0,1|1,0,0]=3 584 B8R1.4 CN1CCOC(=O)C1 M41260 [0,1,0,0,0,1|1,0,0]=3 585 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,1,0,0,0,1|1,0,0]=3 586 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,1,0,0,0,1|0,1,0]=3 587 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [0,1,0,0,0,1|1,0,0]=3 588 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [0,1,0,0,0,1|0,1,0]=3 589 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,1,0,0,0,1|1,0,0]=3 590 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,1,0,0,0,1|1,0,0]=3 591 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,1,0,0,0,1|1,0,0]=3 592 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,1,0,0,0,1|0,1,0]=3 593 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,1,0,0,0,1|0,1,0]=3 594 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,1,0,0,0,1|1,0,0]=3 595 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [0,1,0,0,0,1|1,0,0]=3 596 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [0,1,0,0,0,1|1,0,0]=3 597 B8R1.4 NC1=CC(=O)CCC1 A9456 [0,1,0,0,0,1|1,0,1]=4 598 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [0,1,0,0,0,1|1,0,0]=3 599 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [0,1,0,0,0,1|1,0,0]=3 600 B8R1.4 O=C1CCCC(=O)C1 C38740 [0,1,0,0,0,1|1,0,0]=3 601 B8R1.4 O=C1CCCC(=O)N1 P69653 [0,1,0,0,0,1|1,0,1]=4 602 B8R1.4 O=C1CCNC(=O)C1 P7969 [0,1,0,0,0,1|1,0,0]=3 603 B8R1.4 O=C1CNCC(=O)N1 P10757 [0,1,0,0,0,1|1,0,1]=4 604 B8R1.4 O=C1COCC(=O)C1 P7984 [0,1,0,0,0,1|0,1,0]=3 605 B8R1.4 O=C1CSCC(=O)C1 T15232 [0,1,0,0,0,1|0,0,0]=2 606 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [0,1,0,0,0,1|1,0,0]=3 607 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [0,1,0,0,0,1|1,0,0]=3 608 B8R1.4 O=C1[CH-]C(=O)COC1 S41303 [0,1,0,0,0,1|0,1,1]=4 609 B8R1.5 CN1CCNCC1=O M12652 [0,1,0,0,0,1|1,0,0]=3 610 B8R1.5 CN1CCNCC1=O M4395 [0,1,0,0,0,1|1,0,0]=3 611 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,1,0,0,0,1|1,0,0]=3 612 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,1,0,0,0,1|1,0,0]=3 613 B8R1.5 C[C@H]1CCNCC1=O M14887 [0,1,0,0,0,1|1,0,0]=3 614 B8R1.5 C[C@H]1CNCCC1=O M14880 [0,1,0,0,0,1|1,0,0]=3 615 B8R1.5 C[C@H]1CNCCC1=O M41497 [0,1,0,0,0,1|1,0,0]=3 616 B8R1.5 C[C@H]1COCCC1=O M11408 [0,1,0,0,0,1|0,1,0]=3 617 B8R1.5 NN1CCCCC1=O A41312 [0,1,0,0,0,1|1,0,0]=3 618 B8R1.5 N[C@@H]1CCCNC1=O A41314 [0,1,0,0,0,1|1,0,0]=3 619 B8R1.5 N[C@H]1CCCCC1=O A63504 [0,1,0,0,0,1|1,0,0]=3 620 B8R1.5 N[C@H]1CCCNC1=O A38933 [0,1,0,0,0,1|1,0,0]=3 621 B8R1.5 N[C@H]1CCCNC1=O A41313 [0,1,0,0,0,1|1,0,0]=3 622 B8R1.5 N[C@H]1CCCNC1=O A64847 [0,1,0,0,0,1|1,0,0]=3 623 B8R1.5 O=C1CCCC=C1Br B3408 [0,1,0,0,0,1|1,0,1]=4 624 B8R1.5 O=C1CCCCC1=O C67839 [0,1,0,0,0,1|1,0,0]=3 625 B8R1.5 O=C1CCNC[C@@H]1F F11694 [0,1,0,0,0,1|1,0,0]=3 626 B8R1.5 O=C1CCNC[C@@H]1F F13759 [0,1,0,0,0,1|1,0,0]=3 627 B8R1.5 O=C1CCOC[C@@H]1Br B7711 [0,1,0,0,0,1|0,1,0]=3 628 B8R1.5 O=C1CCOC[C@@H]1F F5739 [0,1,0,0,0,1|0,1,0]=3 629 B8R1.5 O=C1NCCC[C@@H]1Br B41219 [0,1,0,0,0,1|1,0,0]=3 630 B8R1.5 O=C1NCCC[C@@H]1O H36756 [0,1,0,0,0,1|1,0,0]=3 631 B8R1.72 CC1(O)CCSCC1 M41569 [0,1,0,0,0,1|0,0,2]=4 632 B8R1.72 O=S1(=O)CCCCN1 T40268 [0,1,0,0,0,1|2,0,0]=4 633 B8R1.72 O=S1(=O)CCCCO1 B69155 [0,1,0,0,0,1|2,0,0]=4 634 B8R1.72 O=S1(=O)CCNCC1 T12458 [0,1,0,0,0,1|2,0,0]=4 635 B8R1.72 O=S1(=O)CCNCC1 T7565 [0,1,0,0,0,1|2,0,0]=4 636 B8R1.72 O=S1(=O)CCOCC1 D40257 [0,1,0,0,0,1|1,1,0]=4 637 B8R1.1 C=C[C@@H]1COC(=O)C1 V64256 [0,2,0,0,0,0|2,0,0]=4 638 B8R1.1 C=C[C@@H]1COC(=O)C1 V64417 [0,2,0,0,0,0|2,0,0]=4 639 B8R1.1 COC1=CC(=O)CC1 M61379 [0,2,0,0,0,0|1,0,1]=4 640 B8R1.1 NC[C@@H]1CCC(=O)N1 A19938 [0,2,0,0,0,0|2,0,0]=4 641 B8R1.1 NC[C@@H]1CNC(=O)C1 A15732 [0,2,0,0,0,0|2,0,0]=4 642 B8R1.1 NC[C@@H]1CNC(=O)C1 A27672 [0,2,0,0,0,0|2,0,0]=4 643 B8R1.1 NC[C@@H]1CNC(=O)C1 A7263 [0,2,0,0,0,0|2,0,0]=4 644 B8R1.1 NC[C@H]1CCC(=O)N1 A64040 [0,2,0,0,0,0|2,0,0]=4 645 B8R1.1 NC[C@H]1CNC(=O)C1 A18478 [0,2,0,0,0,0|2,0,0]=4 646 B8R1.1 NC[C@H]1CNC(=O)C1 A27671 [0,2,0,0,0,0|2,0,0]=4 647 B8R1.1 O=C1CC[C@@H](CBr)N1 B41220 [0,2,0,0,0,0|2,0,0]=4 648 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [0,2,0,0,0,0|2,0,0]=4 649 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [0,2,0,0,0,0|2,0,0]=4 650 B8R1.1 O=C1CC[C@H](CBr)N1 B32099 [0,2,0,0,0,0|2,0,0]=4 651 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [0,2,0,0,0,0|2,0,0]=4 652 B8R1.1 O=C1CC[C@H](CI)N1 I2851 [0,2,0,0,0,0|2,0,0]=4 653 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [0,2,0,0,0,0|2,0,0]=4 654 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [0,2,0,0,0,0|2,0,0]=4 655 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [0,2,0,0,0,0|2,0,0]=4 656 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [0,2,0,0,0,0|2,0,0]=4 657 B8R1.1 O=C1C[C@H](CO)CN1 H14660 [0,2,0,0,0,0|2,0,0]=4 658 B8R1.7 CC(=O)C1CCCC1 C69351 [0,2,0,0,0,0|1,0,1]=4 659 B8R1.7 NC(=O)[C@@H]1CCNC1 P0296 [0,2,0,0,0,0|1,0,1]=4 660 B8R1.7 NC(=O)[C@H]1CCNC1 P0295 [0,2,0,0,0,0|1,0,1]=4 661 B8R1.7 NC(=O)[C@H]1CCNC1 P1146 [0,2,0,0,0,0|1,0,1]=4 662 B8R1.7 NC(=O)[C@H]1CCNC1 P7510 [0,2,0,0,0,0|1,0,1]=4 663 B8R1.7 NC(=O)[C@H]1CCNC1 P7511 [0,2,0,0,0,0|1,0,1]=4 664 B8R1.7 NC(=O)[C@H]1CCOC1 T11900 [0,2,0,0,0,0|0,1,1]=4 665 B8R1.7 O=C(Cl)[C@H]1CCOC1 T41177 [0,2,0,0,0,0|0,1,1]=4 666 B8R1.7 O=C(O)C1=CCCC1 C43305 [0,2,0,0,0,0|1,0,1]=4 667 B8R1.7 O=C(O)C1=COCC1 D8190 [0,2,0,0,0,0|0,1,1]=4 668 B8R1.7 O=C(O)C1CCCC1 C23144 [0,2,0,0,0,0|1,0,1]=4 669 B8R1.7 O=C(O)[C@@H]1CCNC1 P12309 [0,2,0,0,0,0|1,0,1]=4 670 B8R1.7 O=C(O)[C@@H]1CCNC1 P6961 [0,2,0,0,0,0|1,0,1]=4 671 B8R1.7 O=C(O)[C@@H]1CCOC1 T1673 [0,2,0,0,0,0|0,1,1]=4 672 B8R1.7 O=C(O)[C@H]1CCNC1 P1152 [0,2,0,0,0,0|1,0,1]=4 673 B8R1.7 O=C(O)[C@H]1CCNC1 P1524 [0,2,0,0,0,0|1,0,1]=4 674 B8R1.7 O=C(O)[C@H]1CCNC1 P15767 [0,2,0,0,0,0|1,0,1]=4 675 B8R1.7 O=C(O)[C@H]1CCNC1 P41372 [0,2,0,0,0,0|1,0,1]=4 676 B8R1.7 O=C(O)[C@H]1CCOC1 T0394 [0,2,0,0,0,0|0,1,1]=4 677 B8R1.7 O=C(O)[C@H]1CCOC1 T0395 [0,2,0,0,0,0|0,1,1]=4 678 B8R1.7 O=C(O)[C@H]1CSCN1 T63317 [0,2,0,0,0,0|1,0,1]=4 679 B8R1.7 O=[N+]([O-])C1=NOCC1 N39838 [0,2,0,0,0,0|1,1,0]=4 680 B8R1.11 CC[C@H]1CCCC1=O E43799 [0,2,0,0,0,0|1,0,0]=3 681 B8R1.11 N#C[C@H]1COCC1=O F13819 [0,2,0,0,0,0|0,1,0]=3 682 B8R1.11 N#C[C@H]1CSCC1=O X13820 [0,2,0,0,0,0|0,0,0]=2 683 B8R1.11 O=C1CCC[C@@H]1CO H41464 [0,2,0,0,0,0|1,0,0]=3 684 B8R1.11 O=C1NCC[C@@H]1CO H13645 [0,2,0,0,0,0|2,0,0]=4 685 B8R1.18 CC1=CC(=O)C[C@@H]1C D43712 [0,2,0,0,0,0|1,0,1]=4 686 B8R1.18 CN1C[C@@H](N)CC1=O A14746 [0,2,0,0,0,0|2,0,0]=4 687 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [0,2,0,0,0,0|2,0,0]=4 688 B8R1.50 CC1C(=O)CCC1=O M25293 [0,2,0,0,0,0|1,0,0]=3 689 B8R1.50 CN1C(=O)CSC1=O M40160 [0,2,0,0,0,0|1,0,1]=4 690 B8R1.50 CN1C(=O)CSC1=S M29859 [0,2,0,0,0,0|1,0,1]=4 691 B8R1.50 O=C1CCC(=O)N1Br B37031 [0,2,0,0,0,0|2,0,0]=4 692 B8R1.50 O=C1CCC(=O)N1I I1787 [0,2,0,0,0,0|2,0,0]=4 693 B8R1.50 O=C1CCC(=O)N1O H68064 [0,2,0,0,0,0|2,0,0]=4 694 B8R1.50 O=C1OC[C@@H](O)[C@H]1O D40215 [0,2,0,0,0,0|2,0,0]=4 695 B8R1.51 CC1(C)CCC(=O)N1 D38848 [0,2,0,0,0,0|2,0,0]=4 696 B8R1.51 CC1(C)CCC(=O)O1 D41465 [0,2,0,0,0,0|2,0,0]=4 697 B8R1.51 CC1(C)CNC(=O)C1 D6966 [0,2,0,0,0,0|2,0,0]=4 698 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 A64489 [0,2,0,0,0,0|2,0,0]=4 699 B8R1.51 N[C@H]1CCS(=O)(=O)C1 A12453 [0,2,0,0,0,0|2,0,0]=4 700 B8R1.51 N[C@H]1CCS(=O)(=O)C1 A24037 [0,2,0,0,0,0|2,0,0]=4 701 B8R1.51 N[C@H]1CCS(=O)(=O)C1 A64487 [0,2,0,0,0,0|2,0,0]=4 702 B8R1.51 O=C1CCS(=O)(=O)C1 D8866 [0,2,0,0,0,0|0,0,1]=3 703 B8R1.19 CC1(C)CCNC1=O D13691 [0,2,0,0,0,0|2,0,0]=4 704 B8R1.19 O=C1NCCC1(F)F D29703 [0,2,0,0,0,0|2,0,0]=4 705 B6R1.11 O=C(O)C1CC1 C69104 [0,0,1,1,0,0|2,0,0]=4 706 B6R1.1 C1=CCNCC1 T0540 [0,0,1,1,0,0|2,0,0]=4 707 B6R1.1 C1=CCOCC1 D10810 [0,0,1,1,0,0|1,1,0]=4 708 B6R1.1 C1CSCCN1 T17901 [0,0,1,1,0,0|1,0,1]=4 709 B8R2.18 O=C1CC2CC2C1 B43299 [0,0,0,1,0,1|1,0,0]=3 710 B4R1.1 C1CNC1 A1584 [1,0,0,0,1,0|1,0,0]=3 711 B4R1.1 C1CNC1 A31833 [1,0,0,0,1,0|1,0,0]=3 712 B4R1.2 BrC1CC1 B23669 [0,0,0,0,2,0|1,0,1]=4 713 B4R1.2 OC1CC1 C21681 [0,0,0,0,2,0|0,0,2]=4 714 B8R1.22 O=C1C=CCCCC1 C67890 [0,0,0,0,0,2|1,0,0]=3 715 B8R1.22 O=C1CCCNCC1 H12307 [0,0,0,0,0,2|1,0,0]=3 716 B8R1.22 O=C1CCOCCN1 X16165 [0,0,0,0,0,2|0,1,0]=3 717 B8R1.22 O=C1CCSCCN1 T6235 [0,0,0,0,0,2|0,0,0]=2 718 B8R1.22 O=C1CNCCCN1 D38834 [0,0,0,0,0,2|1,0,0]=3