0 B6R0.2 C=C(C)CC(=O)O SC-31698 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.2 CC(=O)CC(=O)O SC-69749 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.2 CC(=O)CC(C)=O SC-68118 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.2 CC(=O)CC(C)=O SC-77723 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.2 CC(=O)NC(=N)N SC-45115 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.2 CC(=O)NC(C)C SC-A3057 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.2 CC(=O)NC(N)=O SC-87858 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.2 CC(=O)[CH-]C(C)=O SC-19438 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.2 CC(=O)\C=C(\C)N SC-89382 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.2 CC(=O)\C=C(\C)O SC-20333 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.2 CC(=O)\C=C(\C)O SC-67757 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.2 CC(C)=CC(=O)Cl SC-17934 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.2 CC(C)=CC(=O)O SC-16257 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.2 CC(C)CB(O)O SC-06923 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.2 CC(C)CC(=N)N SC-40541 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.2 CC(C)CC(C)Br SC-26522 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.2 CC(C)OC(=O)Cl SC-26628 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.2 CC(Cl)OC(=O)Cl SC-13624 [0,0,0,0,0,0|4,0,0]=4 18 B6R0.2 CC(O)CC(=O)[O-] SC-85388 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.2 CN(C)CC(=O)Cl SC-48853 [0,0,0,0,0,0|1,0,0]=1 20 B6R0.2 CN(C)CC(=O)O SC-09555 [0,0,0,0,0,0|1,0,0]=1 21 B6R0.2 CN(C)CC(=O)O SC-51828 [0,0,0,0,0,0|1,0,0]=1 22 B6R0.2 CN(C)CC(N)=O SC-89197 [0,0,0,0,0,0|0,0,0]=0 23 B6R0.2 CN(C)CC(N)=S SC-62281 [0,0,0,0,0,0|0,1,0]=1 24 B6R0.2 CN(C)CN(C)C SC-65765 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.2 C[C@@H](N)CC(=O)O SC-10059 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.2 C[C@@H](N)CC(=O)O SC-44142 [0,0,0,0,0,0|3,0,0]=3 27 B6R0.2 C[C@H](N)CC(=O)O SC-21979 [0,0,0,0,0,0|3,0,0]=3 28 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [0,0,0,0,0,0|3,0,0]=3 29 B6R0.2 C[S+](C)CC(=O)[O-] SC-72907 [0,0,0,0,0,0|2,0,0]=2 30 B6R0.2 NC(=O)CC(N)=O SC-47182 [0,0,0,0,0,0|3,0,0]=3 31 B6R0.2 O=C(Cl)CC(=O)Cl SC-98168 [0,0,0,0,0,0|4,0,0]=4 32 B6R0.2 O=C(O)CC(=O)O SC-77641 [0,0,0,0,0,0|4,0,0]=4 33 B6R0.2 O=C([O-])CC(=O)[O-] SC-94719 [0,0,0,0,0,0|4,0,0]=4 34 B5R0.1 C#CCC(=O)O SC-40344 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.1 C=CCC(=O)O SC-49093 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.1 C=CCC(C)O SC-49226 [1,0,0,0,0,0|3,0,0]=4 37 B5R0.1 C=CC[C@H](C)O SC-70432 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.1 CC#CC(=O)O SC-76460 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.1 CC(=O)CC#N SC-26510 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.1 CC(=O)CCCl SC-21586 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.1 CC(=O)CCO SC-65678 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.1 CC(Br)CCN SC-40141 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.1 CC(C)=CC=O SC-00290 [1,0,0,0,0,0|1,0,1]=3 44 B5R0.1 CC(C)=CCN SC-51952 [1,0,0,0,0,0|1,0,2]=4 45 B5R0.1 CC(C)CNN SC-A4531 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.1 CC(C)N=C=O SC-22633 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.1 CC(N)CCN SC-66926 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.1 CCCC(=N)N SC-19347 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.1 CCCC(=O)[O-] SC-15718 [1,0,0,0,0,0|2,0,0]=3 50 B5R0.1 CCCC(C)N SC-53929 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.1 CCC[C@@H](C)N SC-A6013 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.1 CCC[C@@H](C)N SC-A6071 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.1 CCC[C@H](C)N SC-A6072 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.1 CCN=C(N)N SC-15057 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.1 CCSC(=N)N SC-20585 [1,0,0,0,0,0|3,0,0]=4 56 B5R0.1 CCSC(=N)N SC-53442 [1,0,0,0,0,0|3,0,0]=4 57 B5R0.1 CCSC(=N)N SC-A3995 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.1 CN(C)CC=O SC-51643 [1,0,0,0,0,0|0,0,0]=1 59 B5R0.1 CN(C)CC=O SC-88142 [1,0,0,0,0,0|0,0,0]=1 60 B5R0.1 CN(C)CCBr SC-21756 [1,0,0,0,0,0|1,0,1]=3 61 B5R0.1 CN(C)CCBr SC-27529 [1,0,0,0,0,0|1,0,1]=3 62 B5R0.1 CN(C)CCCl SC-18600 [1,0,0,0,0,0|1,0,1]=3 63 B5R0.1 CN(C)CCCl SC-47184 [1,0,0,0,0,0|1,0,1]=3 64 B5R0.1 CN(C)CCO SC-87330 [1,0,0,0,0,0|0,0,2]=3 65 B5R0.1 CNCC(C)N SC-66085 [1,0,0,0,0,0|1,0,1]=3 66 B5R0.1 CNCC(F)F SC-34374 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.1 CNCC(N)=O SC-10429 [1,0,0,0,0,0|0,0,0]=1 68 B5R0.1 COCC(=N)N SC-41213 [1,0,0,0,0,0|2,0,0]=3 69 B5R0.1 COCC(=N)N SC-73218 [1,0,0,0,0,0|2,0,0]=3 70 B5R0.1 COCC(=O)Cl SC-27381 [1,0,0,0,0,0|2,0,0]=3 71 B5R0.1 COCC(C)=S SC-42217 [1,0,0,0,0,0|2,1,0]=4 72 B5R0.1 COCC(C)N SC-48787 [1,0,0,0,0,0|2,0,1]=4 73 B5R0.1 COC[C@@H](C)N SC-47724 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.1 COC[C@H](C)N SC-51779 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.1 CS(=O)CCN SC-89327 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.1 CSCC(=N)N SC-59669 [1,0,0,0,0,0|2,0,0]=3 77 B5R0.1 CSCC(N)=O SC-27108 [1,0,0,0,0,0|1,0,0]=2 78 B5R0.1 CSCS(C)=O SC-87090 [1,0,0,0,0,0|3,0,0]=4 79 B5R0.1 CSNC(C)=O SC-28667 [1,0,0,0,0,0|3,0,0]=4 80 B5R0.1 C\C=C/C(C)=O SC-48085 [1,0,0,0,0,0|2,0,1]=4 81 B5R0.1 C\C=C\C(=O)Cl SC-16256 [1,0,0,0,0,0|2,0,1]=4 82 B5R0.1 C\C=C\C(=O)O SC-25924 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.1 N#CCC(N)=O SC-26759 [1,0,0,0,0,0|2,0,0]=3 84 B5R0.1 N#CCC(N)=S SC-18277 [1,0,0,0,0,0|2,1,0]=4 85 B5R0.1 N=C(N)CCBr SC-59651 [1,0,0,0,0,0|3,0,0]=4 86 B5R0.1 N=C(N)CCCl SC-54448 [1,0,0,0,0,0|3,0,0]=4 87 B5R0.1 N=C(N)CCCl SC-58529 [1,0,0,0,0,0|3,0,0]=4 88 B5R0.1 N=C(N)CCN SC-69825 [1,0,0,0,0,0|3,0,0]=4 89 B5R0.1 NCCC(N)=O SC-48688 [1,0,0,0,0,0|2,0,0]=3 90 B5R0.1 NCCC(N)=O SC-84499 [1,0,0,0,0,0|2,0,0]=3 91 B5R0.1 O=C(Cl)CCCl SC-16310 [1,0,0,0,0,0|3,0,0]=4 92 B5R0.1 O=C(O)CCF SC-53145 [1,0,0,0,0,0|3,0,0]=4 93 B5R0.1 O=C(O)CCS SC-22642 [1,0,0,0,0,0|3,0,0]=4 94 B7R0.2 C=CC(=O)NC(C)C SC-47047 [0,1,0,0,0,0|3,0,0]=4 95 B7R0.2 CC(C)CC(C)NN SC-38647 [0,1,0,0,0,0|2,0,1]=4 96 B7R0.2 CC(C)C[C@@H](N)CO SC-15764 [0,1,0,0,0,0|1,0,2]=4 97 B7R0.2 CC(C)C\C(N)=N/O SC-56230 [0,1,0,0,0,0|1,0,1]=3 98 B7R0.2 CC(C)NC(=O)CBr SC-02491 [0,1,0,0,0,0|3,0,0]=4 99 B7R0.2 CC(CCl)CN(C)C SC-49474 [0,1,0,0,0,0|2,0,1]=4 100 B7R0.2 CC(CO)CN(C)C SC-49500 [0,1,0,0,0,0|1,0,2]=4 101 B7R0.2 CCC(C)OC(=O)Cl SC-69084 [0,1,0,0,0,0|3,0,0]=4 102 B7R0.2 CCC(N)CC(=O)O SC-59260 [0,1,0,0,0,0|3,0,0]=4 103 B7R0.2 CCC(O)CC(C)=O SC-92943 [0,1,0,0,0,0|3,0,0]=4 104 B7R0.2 COC(=O)CC(=O)O SC-21351 [0,1,0,0,0,0|3,0,0]=4 105 B7R0.2 COC(=O)CC(C)Br SC-67097 [0,1,0,0,0,0|3,0,0]=4 106 B7R0.2 COC(=O)CC(N)=O SC-67031 [0,1,0,0,0,0|2,0,0]=3 107 B7R0.2 COC(=O)C[C@@H](C)N SC-88822 [0,1,0,0,0,0|3,0,0]=4 108 B7R0.2 COC(=O)C[C@@H](C)N SC-A1096 [0,1,0,0,0,0|3,0,0]=4 109 B7R0.2 COC(=O)C[C@@H](C)O SC-08902 [0,1,0,0,0,0|3,0,0]=4 110 B7R0.2 C\C(C=O)=C/N(C)C SC-93331 [0,1,0,0,0,0|1,0,1]=3 111 B7R0.2 NCC(O)CC(=O)O SC-50844 [0,1,0,0,0,0|3,0,0]=4 112 B7R0.2 NC[C@@H](O)CC(=O)O SC-04302 [0,1,0,0,0,0|3,0,0]=4 113 B7R0.2 N[C@H](CO)CC(=O)O SC-72100 [0,1,0,0,0,0|3,0,0]=4 114 B7R0.9 CC(=O)CC(C)(C)S SC-82919 [0,1,0,0,0,0|2,0,0]=3 115 B7R0.9 CC(=O)N[Si](C)(C)C SC-10615 [0,1,0,0,0,0|3,0,0]=4 116 B7R0.9 CC(C)(C)OC(N)=O SC-44399 [0,1,0,0,0,0|2,0,0]=3 117 B7R0.9 CC(C)(N)CC(=O)O SC-43668 [0,1,0,0,0,0|2,0,0]=3 118 B7R0.9 CC(C)(O)CC(=N)N SC-13198 [0,1,0,0,0,0|2,0,0]=3 119 B7R0.9 CC(C)(O)CC(=O)[O-] SC-17999 [0,1,0,0,0,0|2,0,0]=3 120 B7R0.9 CC(C)=CS(N)(=O)=O SC-32958 [0,1,0,0,0,0|2,0,1]=4 121 B7R0.9 CC(C)CS(=O)(=O)Cl SC-51212 [0,1,0,0,0,0|3,0,0]=4 122 B7R0.9 CC(C)CS(N)(=O)=O SC-34991 [0,1,0,0,0,0|2,0,0]=3 123 B7R0.9 CN(C)CC(C)(C)O SC-48956 [0,1,0,0,0,0|1,0,2]=4 124 B7R0.9 CS(=O)(=O)CC(=N)N SC-40513 [0,1,0,0,0,0|3,0,0]=4 125 B7R0.9 CS(=O)(=O)CC(=O)O SC-23267 [0,1,0,0,0,0|3,0,0]=4 126 B7R0.9 C[N+](C)(C)CC(=O)O SC-27478 [0,1,0,0,0,0|1,0,1]=3 127 B7R0.16 CC(=O)C(C)C(C)=O SC-08152 [0,1,0,0,0,0|3,0,0]=4 128 B7R0.16 CC(C)C(=O)C(=O)O SC-27422 [0,1,0,0,0,0|2,0,1]=4 129 B7R0.16 CC(C)C(=O)C(=O)[O-] SC-13686 [0,1,0,0,0,0|2,0,1]=4 130 B7R0.16 CC(C)C(N)C(=O)O SC-09985 [0,1,0,0,0,0|2,0,0]=3 131 B7R0.16 CC(C)C(O)C(=O)O SC-08874 [0,1,0,0,0,0|2,0,0]=3 132 B7R0.16 CC(C)C(O)C(=O)O SC-A2103 [0,1,0,0,0,0|2,0,0]=3 133 B7R0.16 CC(C)[C@@H](O)C(=O)O SC-01716 [0,1,0,0,0,0|2,0,0]=3 134 B7R0.16 CC(C)[C@H](N)C(N)=O SC-19666 [0,1,0,0,0,0|1,0,0]=2 135 B7R0.16 CC(N)C(N)C(=O)O SC-10139 [0,1,0,0,0,0|3,0,0]=4 136 B7R0.16 CC(O)C(N)C(=O)O SC-09869 [0,1,0,0,0,0|3,0,0]=4 137 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SC-09868 [0,1,0,0,0,0|3,0,0]=4 138 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SC-09866 [0,1,0,0,0,0|3,0,0]=4 139 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O SC-09895 [0,1,0,0,0,0|2,0,0]=3 140 B7R0.16 C[C@H](O)C(N)C(=O)O SC-46538 [0,1,0,0,0,0|3,0,0]=4 141 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SC-09865 [0,1,0,0,0,0|3,0,0]=4 142 B7R0.16 NC(=O)C(N)C(N)=O SC-47934 [0,1,0,0,0,0|3,0,0]=4 143 B7R0.16 [C@@H](Cl)(C(=O)O)C(C)C SC-03021 [0,1,0,0,0,0|2,0,0]=3 144 B7R1.2 CC1=CC(=O)CC1 SC-18727 [0,0,0,1,0,0|2,0,1]=4 145 B7R1.2 CC1=CC(=O)OC1 SC-25541 [0,0,0,1,0,0|2,0,1]=4 146 B7R1.2 CC1=NN=C(N)C1 SC-66932 [0,0,0,1,0,0|3,0,0]=4 147 B7R1.2 CC1CCC(=O)C1 SC-93748 [0,0,0,1,0,0|2,0,0]=3 148 B7R1.2 CC1CCC(=O)N1 SC-89347 [0,0,0,1,0,0|3,0,0]=4 149 B7R1.2 CC1CNC(=O)C1 SC-50248 [0,0,0,1,0,0|1,0,0]=2 150 B7R1.2 CC1CNC(=O)N1 SC-65644 [0,0,0,1,0,0|2,0,0]=3 151 B7R1.2 CC1CNC(C)C1 SC-69891 [0,0,0,1,0,0|2,0,1]=4 152 B7R1.2 CC1COC(=O)C1 SC-60836 [0,0,0,1,0,0|2,0,0]=3 153 B7R1.2 CN1C=C(N)C=N1 SC-21891 [0,0,0,1,0,0|2,0,1]=4 154 B7R1.2 CN1C=C(N)C=N1 SC-49205 [0,0,0,1,0,0|2,0,1]=4 155 B7R1.2 CN1C=C(N)C=N1 SC-72308 [0,0,0,1,0,0|2,0,1]=4 156 B7R1.2 CN1C=CC(=O)N1 SC-98976 [0,0,0,1,0,0|2,0,1]=4 157 B7R1.2 CN1C=CC(N)=N1 SC-02055 [0,0,0,1,0,0|2,0,1]=4 158 B7R1.2 CN1C=NC(N)=C1 SC-35673 [0,0,0,1,0,0|1,0,2]=4 159 B7R1.2 CN1C=NC(N)=C1 SC-97593 [0,0,0,1,0,0|1,0,2]=4 160 B7R1.2 CN1C=NC(N)=N1 SC-18204 [0,0,0,1,0,0|2,0,1]=4 161 B7R1.2 CN1CCC(N)C1 SC-48840 [0,0,0,1,0,0|1,0,1]=3 162 B7R1.2 CN1CCC(N)C1 SC-A2513 [0,0,0,1,0,0|1,0,1]=3 163 B7R1.2 CN1CCC(O)C1 SC-15545 [0,0,0,1,0,0|1,0,2]=4 164 B7R1.2 CN1CC[C@@H](O)C1 SC-49684 [0,0,0,1,0,0|1,0,2]=4 165 B7R1.2 CN1CC[C@H](N)C1 SC-66196 [0,0,0,1,0,0|1,0,1]=3 166 B7R1.2 CN1CC[C@H](O)C1 SC-23905 [0,0,0,1,0,0|1,0,2]=4 167 B7R1.2 CN1N=CC(N)=N1 SC-A2415 [0,0,0,1,0,0|3,0,0]=4 168 B7R1.2 CN1N=CC(N)=N1 SC-A2707 [0,0,0,1,0,0|3,0,0]=4 169 B7R1.2 CN1N=NC(N)=N1 SC-15303 [0,0,0,1,0,0|3,0,0]=4 170 B7R1.2 C[C@@H]1CCC(=O)O1 SC-65777 [0,0,0,1,0,0|3,0,0]=4 171 B7R1.2 C[C@@H]1COC(=O)C1 SC-45465 [0,0,0,1,0,0|2,0,0]=3 172 B7R1.2 C[C@@H]1COC(=O)N1 SC-43641 [0,0,0,1,0,0|3,0,0]=4 173 B7R1.2 C[C@@H]1COC(=O)N1 SC-51055 [0,0,0,1,0,0|3,0,0]=4 174 B7R1.2 C[C@H]1CCC(=O)O1 SC-86851 [0,0,0,1,0,0|3,0,0]=4 175 B7R1.2 C[C@H]1COC(=O)N1 SC-51056 [0,0,0,1,0,0|3,0,0]=4 176 B7R1.2 C[C@H]1COC(=O)O1 SC-04943 [0,0,0,1,0,0|3,0,0]=4 177 B7R1.2 NC1CNC(=O)C1 SC-66063 [0,0,0,1,0,0|2,0,0]=3 178 B7R1.2 NC1COC(=O)C1 SC-34183 [0,0,0,1,0,0|3,0,0]=4 179 B7R1.2 N[C@@H]1COC(=O)C1 SC-71558 [0,0,0,1,0,0|3,0,0]=4 180 B7R1.2 N[C@H]1CNC(=O)C1 SC-52716 [0,0,0,1,0,0|2,0,0]=3 181 B7R1.2 O=C1CC(O)CN1 SC-29049 [0,0,0,1,0,0|2,0,0]=3 182 B7R1.2 O=C1CCC(=O)C1 SC-15331 [0,0,0,1,0,0|3,0,0]=4 183 B7R1.2 O=C1CNC(=O)C1 SC-88883 [0,0,0,1,0,0|2,0,0]=3 184 B7R1.2 O=C1CNC(=O)O1 SC-21301 [0,0,0,1,0,0|3,0,0]=4 185 B7R1.2 O=C1COC(=O)C1 SC-86968 [0,0,0,1,0,0|3,0,0]=4 186 B7R1.2 O=C1C[C@@H](O)CN1 SC-02616 [0,0,0,1,0,0|2,0,0]=3 187 B7R1.2 O=C1C[C@H](O)CN1 SC-13587 [0,0,0,1,0,0|2,0,0]=3 188 B7R1.2 O=C1C[C@H](O)CO1 SC-06559 [0,0,0,1,0,0|3,0,0]=4 189 B7R1.12 CC1CC1C(=O)Cl SC-60998 [0,0,0,1,0,0|2,0,0]=3 190 B7R1.12 CC1CC1C(=O)O SC-71058 [0,0,0,1,0,0|2,0,0]=3 191 B7R1.12 O=C(O)C1CC1F SC-85228 [0,0,0,1,0,0|3,0,0]=4 192 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-83847 [0,0,0,1,0,0|3,0,0]=4 193 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-A4679 [0,0,0,1,0,0|3,0,0]=4 194 B7R1.12 O=C(O)[C@H]1C[C@H]1F SC-72913 [0,0,0,1,0,0|3,0,0]=4 195 B7R1.20 CC(=O)CC1CC1 SC-21396 [0,0,0,1,0,0|2,0,0]=3 196 B7R1.20 N=C(N)CC1CC1 SC-40484 [0,0,0,1,0,0|2,0,0]=3 197 B7R1.20 NC(=O)NC1CC1 SC-84633 [0,0,0,1,0,0|2,0,0]=3 198 B7R1.20 O=C(O)CC1CC1 SC-13938 [0,0,0,1,0,0|2,0,0]=3 199 B5R0.5 C=C(C)C(N)=O SC-74591 [0,0,0,0,1,0|1,0,1]=3 200 B5R0.5 CC(=O)C(=O)[O-] SC-26010 [0,0,0,0,1,0|3,0,0]=4 201 B5R0.5 CC(=O)C(C)Br SC-44476 [0,0,0,0,1,0|3,0,0]=4 202 B5R0.5 CC(=O)C(C)Cl SC-46981 [0,0,0,0,1,0|3,0,0]=4 203 B5R0.5 CC(=O)C(C)S SC-17208 [0,0,0,0,1,0|3,0,0]=4 204 B5R0.5 CC(=O)N(C)C SC-54108 [0,0,0,0,1,0|1,0,0]=2 205 B5R0.5 CC(Br)C(N)=O SC-97497 [0,0,0,0,1,0|2,0,0]=3 206 B5R0.5 CC(C)=C(C)C SC-26845 [0,0,0,0,1,0|3,0,0]=4 207 B5R0.5 CC(C)C(=N)N SC-13079 [0,0,0,0,1,0|2,0,0]=3 208 B5R0.5 CC(C)C(C)N SC-27570 [0,0,0,0,1,0|2,0,1]=4 209 B5R0.5 CC(Cl)C(=N)N SC-39558 [0,0,0,0,1,0|3,0,0]=4 210 B5R0.5 CC(Cl)C(N)=O SC-50401 [0,0,0,0,1,0|2,0,0]=3 211 B5R0.5 CC(F)C(=O)O SC-83429 [0,0,0,0,1,0|3,0,0]=4 212 B5R0.5 CC(N)C(=O)O SC-09271 [0,0,0,0,1,0|3,0,0]=4 213 B5R0.5 CC(N)C(N)=O SC-94219 [0,0,0,0,1,0|2,0,0]=3 214 B5R0.5 CC(O)C(=O)O SC-20005 [0,0,0,0,1,0|3,0,0]=4 215 B5R0.5 CC(O)C(=O)[O-] SC-15837 [0,0,0,0,1,0|3,0,0]=4 216 B5R0.5 CC(O)C(=O)[O-] SC-18033 [0,0,0,0,1,0|3,0,0]=4 217 B5R0.5 CC(O)C(=O)[O-] SC-19308 [0,0,0,0,1,0|3,0,0]=4 218 B5R0.5 CC(O)C(=O)[O-] SC-46260 [0,0,0,0,1,0|3,0,0]=4 219 B5R0.5 CN(C)C(=O)Cl SC-15201 [0,0,0,0,1,0|1,0,0]=2 220 B5R0.5 CN(C)C(=S)Cl SC-15756 [0,0,0,0,1,0|1,1,0]=3 221 B5R0.5 CN(C)C(N)=S SC-A2077 [0,0,0,0,1,0|0,1,0]=2 222 B5R0.5 CN(N)C(=N)N SC-51509 [0,0,0,0,1,0|2,0,0]=3 223 B5R0.5 C[C@@H](Br)C(=O)O SC-08843 [0,0,0,0,1,0|3,0,0]=4 224 B5R0.5 C[C@@H](Cl)C(=O)O SC-06610 [0,0,0,0,1,0|3,0,0]=4 225 B5R0.5 C[C@@H](N)C(N)=O SC-09289 [0,0,0,0,1,0|2,0,0]=3 226 B5R0.5 C[C@@H](O)C(N)=O SC-92873 [0,0,0,0,1,0|2,0,0]=3 227 B5R0.5 C[C@H](Cl)C(=O)O SC-03218 [0,0,0,0,1,0|3,0,0]=4 228 B5R0.5 C[C@H](N)C(N)=O SC-03542 [0,0,0,0,1,0|2,0,0]=3 229 B5R0.5 C[C@H](O)C(N)=O SC-73228 [0,0,0,0,1,0|2,0,0]=3 230 B5R0.5 NC(=O)C(=O)[O-] SC-52623 [0,0,0,0,1,0|3,0,0]=4 231 B5R0.5 NC(=O)C(F)F SC-A2453 [0,0,0,0,1,0|3,0,0]=4 232 B5R0.5 [2H]C(=O)N(C)C SC-97589 [0,0,0,0,1,0|1,0,0]=2 233 B5R0.5 [C@@H](C)(N)C(N)=O SC-22084 [0,0,0,0,1,0|2,0,0]=3 234 B7R0.6 C=C(C)CCC(=O)O SC-31541 [0,0,0,0,0,1|2,0,1]=4 235 B7R0.6 CC(=O)CNC(C)=O SC-72248 [0,0,0,0,0,1|3,0,0]=4 236 B7R0.6 CC(=O)OCC(=O)O SC-65254 [0,0,0,0,0,1|3,0,0]=4 237 B7R0.6 CC(=O)\C=C\N(C)C SC-92543 [0,0,0,0,0,1|1,0,1]=3 238 B7R0.6 CC(C)CCC(=O)O SC-57917 [0,0,0,0,0,1|2,0,0]=3 239 B7R0.6 CC(C)CC[N+](=O)[O-] SC-93989 [0,0,0,0,0,1|3,0,0]=4 240 B7R0.6 CC(C)CNC(N)=S SC-88305 [0,0,0,0,0,1|1,1,0]=3 241 B7R0.6 CC(C)OCC(=O)O SC-88240 [0,0,0,0,0,1|2,0,0]=3 242 B7R0.6 CC(Cl)CCC(=O)Cl SC-74180 [0,0,0,0,0,1|3,0,0]=4 243 B7R0.6 CN(C)CCC(=N)N SC-40941 [0,0,0,0,0,1|1,0,0]=2 244 B7R0.6 CN(C)CCC(=O)O SC-84721 [0,0,0,0,0,1|1,0,0]=2 245 B7R0.6 CN(C)CCC(=O)O SC-84792 [0,0,0,0,0,1|1,0,0]=2 246 B7R0.6 CN(C)CCC(=O)O SC-98010 [0,0,0,0,0,1|1,0,0]=2 247 B7R0.6 CN(C)CCC(N)=O SC-89196 [0,0,0,0,0,1|0,0,0]=1 248 B7R0.6 CN(C)CCN(C)C SC-98070 [0,0,0,0,0,1|3,0,0]=4 249 B7R0.6 CN(C)\C=C\[N+](=O)[O-] SC-16745 [0,0,0,0,0,1|2,0,1]=4 250 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [0,0,0,0,0,1|3,0,0]=4 251 B7R0.6 N=C(N)CCC(N)=O SC-97509 [0,0,0,0,0,1|3,0,0]=4 252 B4R0.1 C=C(C)CN SC-43404 [2,0,0,0,0,0|1,0,1]=4 253 B4R0.1 C=C(C)CN SC-84159 [2,0,0,0,0,0|1,0,1]=4 254 B4R0.1 C=C(N)OC SC-01201 [2,0,0,0,0,0|2,0,0]=4 255 B4R0.1 CC(=O)CN SC-28532 [2,0,0,0,0,0|1,0,0]=3 256 B4R0.1 CC(=O)CN SC-89750 [2,0,0,0,0,0|1,0,0]=3 257 B4R0.1 CC(=O)NO SC-18498 [2,0,0,0,0,0|2,0,0]=4 258 B4R0.1 CC(C)=CBr SC-52196 [2,0,0,0,0,0|2,0,0]=4 259 B4R0.1 CC(C)=C[Mg+] SC-73153 [2,0,0,0,0,0|2,0,0]=4 260 B4R0.1 CC(C)C[Mg+] SC-69019 [2,0,0,0,0,0|2,0,0]=4 261 B4R0.1 CC(C)NN SC-21077 [2,0,0,0,0,0|2,0,0]=4 262 B4R0.1 CC(C)NN SC-73657 [2,0,0,0,0,0|2,0,0]=4 263 B4R0.1 CC(C)ON SC-87607 [2,0,0,0,0,0|2,0,0]=4 264 B4R0.1 CC(Cl)CN SC-40273 [2,0,0,0,0,0|2,0,0]=4 265 B4R0.1 CCC(=N)N SC-39291 [2,0,0,0,0,0|1,0,0]=3 266 B4R0.1 CCC(=N)N SC-53846 [2,0,0,0,0,0|1,0,0]=3 267 B4R0.1 CCC(=O)[O-] SC-47286 [2,0,0,0,0,0|1,0,0]=3 268 B4R0.1 CCC(N)=O SC-18213 [2,0,0,0,0,0|0,0,0]=2 269 B4R0.1 CCN(C)N SC-A4596 [2,0,0,0,0,0|1,0,1]=4 270 B4R0.1 CCS(=O)[O-] SC-20356 [2,0,0,0,0,0|2,0,0]=4 271 B4R0.1 CC[C@H](C)N SC-81828 [2,0,0,0,0,0|1,0,1]=4 272 B4R0.1 CC[C@H](C)N SC-A5647 [2,0,0,0,0,0|1,0,1]=4 273 B4R0.1 CNC(=N)N SC-18775 [2,0,0,0,0,0|1,0,0]=3 274 B4R0.1 CNC(=N)N SC-78334 [2,0,0,0,0,0|1,0,0]=3 275 B4R0.1 CNN(C)C SC-41461 [2,0,0,0,0,0|1,0,1]=4 276 B4R0.1 COC(=N)N SC-46936 [2,0,0,0,0,0|2,0,0]=4 277 B4R0.1 COC(=N)N SC-65775 [2,0,0,0,0,0|2,0,0]=4 278 B4R0.1 C[C@@H](N)CN SC-08946 [2,0,0,0,0,0|1,0,1]=4 279 B4R0.1 C[C@@H](O)CN SC-03087 [2,0,0,0,0,0|2,0,0]=4 280 B4R0.1 C[C@H](N)CN SC-08947 [2,0,0,0,0,0|1,0,1]=4 281 B4R0.1 C[C@H](O)CN SC-03088 [2,0,0,0,0,0|2,0,0]=4 282 B4R0.1 N=C(N)CCl SC-69732 [2,0,0,0,0,0|2,0,0]=4 283 B4R0.1 N=C(N)CF SC-40566 [2,0,0,0,0,0|2,0,0]=4 284 B4R0.1 N=C(N)CO SC-41719 [2,0,0,0,0,0|2,0,0]=4 285 B4R0.1 N=C(N)CO SC-50460 [2,0,0,0,0,0|2,0,0]=4 286 B4R0.1 N=C(N)NN SC-15685 [2,0,0,0,0,0|2,0,0]=4 287 B4R0.1 N=C(N)NN SC-18816 [2,0,0,0,0,0|2,0,0]=4 288 B4R0.1 NC(=O)CBr SC-17752 [2,0,0,0,0,0|1,0,0]=3 289 B4R0.1 NC(=O)CI SC-18913 [2,0,0,0,0,0|1,0,0]=3 290 B4R0.1 NC(=O)CO SC-26304 [2,0,0,0,0,0|1,0,0]=3 291 B4R0.1 NC(=O)NO SC-17803 [2,0,0,0,0,0|1,0,0]=3 292 B4R0.1 NCC(=O)O SC-26815 [2,0,0,0,0,0|1,0,0]=3 293 B4R0.1 NCC(=O)O SC-26884 [2,0,0,0,0,0|1,0,0]=3 294 B4R0.1 NCC(N)=O SC-18427 [2,0,0,0,0,0|0,0,0]=2 295 B4R0.1 NNC(N)=O SC-47308 [2,0,0,0,0,0|1,0,0]=3 296 B4R0.1 O=C(Cl)CBr SC-49267 [2,0,0,0,0,0|2,0,0]=4 297 B4R0.1 O=C(O)CBr SC-18211 [2,0,0,0,0,0|2,0,0]=4 298 B4R0.1 O=C(O)CI SC-57980 [2,0,0,0,0,0|2,0,0]=4 299 B4R0.1 O=C(O)CO SC-26092 [2,0,0,0,0,0|2,0,0]=4 300 B4R0.1 O=C(O)CO SC-85771 [2,0,0,0,0,0|2,0,0]=4 301 B4R0.1 O=C(O)CS SC-18319 [2,0,0,0,0,0|2,0,0]=4 302 B4R0.1 O=C([O-])CBr SC-50549 [2,0,0,0,0,0|2,0,0]=4 303 B4R0.1 O=C([O-])CI SC-80290 [2,0,0,0,0,0|2,0,0]=4 304 B4R0.1 O=C([O-])CO SC-89096 [2,0,0,0,0,0|2,0,0]=4 305 B4R0.2 C#CCNC SC-87202 [2,0,0,0,0,0|1,0,1]=4 306 B4R0.2 C=CCNC SC-05902 [2,0,0,0,0,0|1,0,0]=3 307 B4R0.2 C=CCNN SC-54870 [2,0,0,0,0,0|2,0,0]=4 308 B4R0.2 C=CCOC SC-62245 [2,0,0,0,0,0|2,0,0]=4 309 B4R0.2 C=CCSC SC-47211 [2,0,0,0,0,0|2,0,0]=4 310 B4R0.2 CCCNC SC-27548 [2,0,0,0,0,0|1,0,1]=4 311 B4R0.2 CCCNN SC-66226 [2,0,0,0,0,0|2,0,0]=4 312 B4R0.2 CCCNN SC-88572 [2,0,0,0,0,0|2,0,0]=4 313 B4R0.2 CCCNN SC-A5919 [2,0,0,0,0,0|2,0,0]=4 314 B4R0.2 CNCC#N SC-13788 [2,0,0,0,0,0|0,0,2]=4 315 B4R0.2 CNCCBr SC-98001 [2,0,0,0,0,0|1,0,1]=4 316 B4R0.2 CNCCO SC-26626 [2,0,0,0,0,0|0,0,2]=4 317 B4R0.2 COCC=O SC-48883 [2,0,0,0,0,0|1,0,0]=3 318 B4R0.2 COCCN SC-22236 [2,0,0,0,0,0|1,0,1]=4 319 B4R0.2 CSCCN SC-28443 [2,0,0,0,0,0|1,0,1]=4 320 B4R0.2 CSCCN SC-40144 [2,0,0,0,0,0|1,0,1]=4 321 B4R0.2 CSCCN SC-83550 [2,0,0,0,0,0|1,0,1]=4 322 B4R0.2 O=CCCCl SC-71322 [2,0,0,0,0,0|2,0,0]=4 323 B4R0.2 O=CCCO SC-52939 [2,0,0,0,0,0|2,0,0]=4 324 B6R0.1 CC#CC(=O)NN SC-50891 [1,1,0,0,0,0|1,0,1]=4 325 B6R0.1 CCOC(=O)CN SC-09569 [1,1,0,0,0,0|2,0,0]=4 326 B6R0.1 CCOC(=O)CN SC-48652 [1,1,0,0,0,0|2,0,0]=4 327 B6R0.1 CN(CO)CCO SC-42099 [1,1,0,0,0,0|0,0,2]=4 328 B6R0.1 CNC(=O)CC#N SC-97600 [1,1,0,0,0,0|2,0,0]=4 329 B6R0.1 CNCC(=O)OC SC-10432 [1,1,0,0,0,0|1,0,0]=3 330 B6R0.1 COC(=O)CC=O SC-53143 [1,1,0,0,0,0|2,0,0]=4 331 B6R0.1 COC(=O)CSC SC-20536 [1,1,0,0,0,0|2,0,0]=4 332 B6R0.1 COCC(=O)NN SC-54001 [1,1,0,0,0,0|1,0,0]=3 333 B6R0.1 COC\C(N)=N\O SC-29295 [1,1,0,0,0,0|1,0,1]=4 334 B6R0.1 N#CCC(=O)NN SC-39668 [1,1,0,0,0,0|2,0,0]=4 335 B6R0.3 CC(C)C(C)NN SC-41530 [1,1,0,0,0,0|2,0,0]=4 336 B6R0.3 CC(C)C(O)CN SC-34918 [1,1,0,0,0,0|1,0,1]=4 337 B6R0.3 CC(C)C(O)CN SC-A3273 [1,1,0,0,0,0|1,0,1]=4 338 B6R0.3 CC(C)C(O)CN SC-A3426 [1,1,0,0,0,0|1,0,1]=4 339 B6R0.3 CC(CN)N(C)C SC-29496 [1,1,0,0,0,0|0,0,1]=3 340 B6R0.3 CCC(C)C(=N)N SC-40567 [1,1,0,0,0,0|2,0,0]=4 341 B6R0.3 CCC(C)C(=O)O SC-22738 [1,1,0,0,0,0|2,0,0]=4 342 B6R0.3 CCC(Cl)C(=O)O SC-96228 [1,1,0,0,0,0|2,0,0]=4 343 B6R0.3 CCC(N)C(=O)O SC-25570 [1,1,0,0,0,0|2,0,0]=4 344 B6R0.3 CCC(N)C(N)=O SC-67619 [1,1,0,0,0,0|1,0,0]=3 345 B6R0.3 CCC(O)C(=N)N SC-41904 [1,1,0,0,0,0|2,0,0]=4 346 B6R0.3 CCC(S)C(=O)O SC-90417 [1,1,0,0,0,0|2,0,0]=4 347 B6R0.3 CC[C@@H](C)C(=O)O SC-92309 [1,1,0,0,0,0|2,0,0]=4 348 B6R0.3 CC[C@@H](Cl)C(=O)O SC-52915 [1,1,0,0,0,0|2,0,0]=4 349 B6R0.3 CC[C@@H](N)C(=O)O SC-10051 [1,1,0,0,0,0|2,0,0]=4 350 B6R0.3 CC[C@@H](O)C(=O)O SC-53865 [1,1,0,0,0,0|2,0,0]=4 351 B6R0.3 CC[C@H](N)C(=O)O SC-10052 [1,1,0,0,0,0|2,0,0]=4 352 B6R0.3 CC[C@H](N)C(N)=O SC-15825 [1,1,0,0,0,0|1,0,0]=3 353 B6R0.3 CC[C@H](O)C(=O)O SC-06416 [1,1,0,0,0,0|2,0,0]=4 354 B6R0.3 CN(C)C(=O)CN SC-48680 [1,1,0,0,0,0|0,0,2]=4 355 B6R0.3 CN[C@H](C)C(=O)O SC-45134 [1,1,0,0,0,0|1,0,0]=3 356 B6R0.3 COC(C)C(=O)O SC-49776 [1,1,0,0,0,0|2,0,0]=4 357 B6R0.3 CO[C@@H](C)C(=O)O SC-89341 [1,1,0,0,0,0|2,0,0]=4 358 B6R0.3 CO[C@H](C)C(=O)O SC-A3340 [1,1,0,0,0,0|2,0,0]=4 359 B6R0.3 N#CC(N)C(N)=O SC-12334 [1,1,0,0,0,0|2,0,0]=4 360 B6R0.3 NC(=O)C(N)CO SC-53653 [1,1,0,0,0,0|2,0,0]=4 361 B6R0.3 NC(=O)[C@@H](N)CO SC-09855 [1,1,0,0,0,0|2,0,0]=4 362 B6R0.3 [C@@H](N)(CC)C(N)=O SC-49088 [1,1,0,0,0,0|1,0,0]=3 363 B6R0.4 C=C(C)CNCC SC-47240 [1,1,0,0,0,0|2,0,0]=4 364 B6R0.4 C=CNCC(=O)O SC-20808 [1,1,0,0,0,0|1,0,1]=4 365 B6R0.4 C=CNCC(=O)O SC-21370 [1,1,0,0,0,0|1,0,1]=4 366 B6R0.4 C=COCC(C)C SC-19102 [1,1,0,0,0,0|2,0,0]=4 367 B6R0.4 CC(=O)CCCBr SC-91341 [1,1,0,0,0,0|2,0,0]=4 368 B6R0.4 CC(C)=NNC=O SC-26098 [1,1,0,0,0,0|2,0,0]=4 369 B6R0.4 CCCCC(=O)Cl SC-46867 [1,1,0,0,0,0|2,0,0]=4 370 B6R0.4 CN(C)CCCBr SC-12824 [1,1,0,0,0,0|1,0,1]=4 371 B6R0.4 CN(C)CCCBr SC-48972 [1,1,0,0,0,0|1,0,1]=4 372 B6R0.4 CN(C)CCCCl SC-18516 [1,1,0,0,0,0|1,0,1]=4 373 B6R0.4 CN(C)CCCCl SC-53120 [1,1,0,0,0,0|1,0,1]=4 374 B6R0.4 CN(C)\C=C\C#N SC-53543 [1,1,0,0,0,0|0,0,2]=4 375 B6R0.4 CN(C)\C=C\C#N SC-69703 [1,1,0,0,0,0|0,0,2]=4 376 B6R0.4 CN(C)\C=C\C=O SC-19334 [1,1,0,0,0,0|0,0,1]=3 377 B6R0.4 CNCCC(=O)O SC-27492 [1,1,0,0,0,0|1,0,0]=3 378 B6R0.4 CNCCC(=O)O SC-52914 [1,1,0,0,0,0|1,0,0]=3 379 B6R0.4 CNCCN(C)C SC-29103 [1,1,0,0,0,0|0,0,1]=3 380 B6R0.4 COCCC(=N)N SC-40396 [1,1,0,0,0,0|2,0,0]=4 381 B6R0.4 COCCC(=O)O SC-50255 [1,1,0,0,0,0|2,0,0]=4 382 B6R0.4 COCCN(C)C SC-21743 [1,1,0,0,0,0|0,0,2]=4 383 B6R0.4 CSCCC(=O)O SC-96567 [1,1,0,0,0,0|2,0,0]=4 384 B6R0.4 C\C=C\CC(=O)O SC-10968 [1,1,0,0,0,0|2,0,0]=4 385 B6R0.4 N=C(N)CCCCl SC-55395 [1,1,0,0,0,0|2,0,0]=4 386 B6R0.4 N=C(N)CCCO SC-70213 [1,1,0,0,0,0|2,0,0]=4 387 B6R0.4 NCCCC(=O)O SC-10045 [1,1,0,0,0,0|2,0,0]=4 388 B6R0.4 O=C(Cl)CCCBr SC-70369 [1,1,0,0,0,0|2,0,0]=4 389 B6R0.4 O=C(O)CCCBr SC-02994 [1,1,0,0,0,0|2,0,0]=4 390 B6R0.4 O=C(O)CCCCl SC-89723 [1,1,0,0,0,0|2,0,0]=4 391 B6R0.5 C=CCC(C)(C)O SC-70433 [1,1,0,0,0,0|2,0,0]=4 392 B6R0.5 C=CC[P+](C)(C)C SC-95670 [1,1,0,0,0,0|1,1,0]=4 393 B6R0.5 CC(C)(O)CCN SC-14242 [1,1,0,0,0,0|1,0,1]=4 394 B6R0.5 CCCS(N)(=O)=O SC-95067 [1,1,0,0,0,0|2,0,0]=4 395 B6R0.7 CC(=O)C(C)(C)Br SC-94430 [0,1,0,0,1,0|2,0,0]=4 396 B6R0.7 CC(=O)C(C)(C)O SC-68565 [0,1,0,0,1,0|2,0,0]=4 397 B6R0.7 CC(C)(Br)C(=O)O SC-76089 [0,1,0,0,1,0|2,0,0]=4 398 B6R0.7 CC(C)(Br)C(N)=O SC-97499 [0,1,0,0,1,0|1,0,0]=3 399 B6R0.7 CC(C)(C)C(=N)N SC-22034 [0,1,0,0,1,0|2,0,0]=4 400 B6R0.7 CC(C)(C)C(=N)N SC-40395 [0,1,0,0,1,0|2,0,0]=4 401 B6R0.7 CC(C)(C)C(=O)[O-] SC-91732 [0,1,0,0,1,0|2,0,0]=4 402 B6R0.7 CC(C)(C)C(=O)[O-] SC-A5883 [0,1,0,0,1,0|2,0,0]=4 403 B6R0.7 CC(C)(C)C(N)=O SC-68560 [0,1,0,0,1,0|1,0,0]=3 404 B6R0.7 CC(C)(C)C(N)=S SC-14578 [0,1,0,0,1,0|1,1,0]=4 405 B6R0.7 CC(C)(C)S(N)=O SC-01163 [0,1,0,0,1,0|2,0,0]=4 406 B6R0.7 CC(C)(C)[S@@](N)=O SC-03634 [0,1,0,0,1,0|2,0,0]=4 407 B6R0.7 CC(C)(C)[S@](N)=O SC-02142 [0,1,0,0,1,0|2,0,0]=4 408 B6R0.7 CC(C)(Cl)C(=O)Cl SC-72836 [0,1,0,0,1,0|2,0,0]=4 409 B6R0.7 CC(C)(F)C(=O)O SC-70278 [0,1,0,0,1,0|2,0,0]=4 410 B6R0.7 CC(C)(N)C(=O)O SC-25938 [0,1,0,0,1,0|2,0,0]=4 411 B6R0.7 CC(C)(N)C(N)=O SC-43988 [0,1,0,0,1,0|1,0,0]=3 412 B6R0.7 CC(C)(O)C(=N)N SC-40716 [0,1,0,0,1,0|2,0,0]=4 413 B6R0.7 CC(C)(O)C(=O)[O-] SC-08910 [0,1,0,0,1,0|2,0,0]=4 414 B6R0.7 CC(C)S(N)(=O)=O SC-33161 [0,1,0,0,1,0|2,0,0]=4 415 B6R0.7 CN(C)S(N)(=O)=O SC-26947 [0,1,0,0,1,0|1,0,0]=3 416 B8R0.9 CC(C)CCC(=O)NN SC-59735 [0,1,0,0,0,1|1,0,0]=3 417 B8R0.9 CC(CCl)CCC(=O)Cl SC-A5387 [0,1,0,0,0,1|2,0,0]=4 418 B8R0.9 COC(=O)CCC(N)=O SC-88449 [0,1,0,0,0,1|2,0,0]=4 419 B8R0.23 C=C(CC(C)C)C(C)=O SC-A2921 [0,1,0,0,0,1|2,0,0]=4 420 B8R0.23 CC(C)CC(=O)C(=O)O SC-13856 [0,1,0,0,0,1|2,0,0]=4 421 B8R0.23 CC(C)CC(=O)C(=O)[O-] SC-19264 [0,1,0,0,0,1|2,0,0]=4 422 B8R0.23 CC(C)CC(Br)C(=O)O SC-A4035 [0,1,0,0,0,1|2,0,0]=4 423 B8R0.23 CC(C)CC(N)C(=O)O SC-09638 [0,1,0,0,0,1|2,0,0]=4 424 B8R0.23 CC(C)CC(N)C(=O)O SC-09639 [0,1,0,0,0,1|2,0,0]=4 425 B8R0.23 CC(C)CC(O)C(=O)O SC-08876 [0,1,0,0,0,1|2,0,0]=4 426 B8R0.23 CC(C)CC(O)C(=O)O SC-25183 [0,1,0,0,0,1|2,0,0]=4 427 B8R0.23 CC(C)C[C@@H](N)C(=O)O SC-09637 [0,1,0,0,0,1|2,0,0]=4 428 B8R0.23 CC(C)C[C@@H](O)C(=O)O SC-13459 [0,1,0,0,0,1|2,0,0]=4 429 B8R0.23 CC(C)C[C@H](Cl)C(=O)O SC-08865 [0,1,0,0,0,1|2,0,0]=4 430 B8R0.23 CC(C)C[C@H](N)C(N)=O SC-09656 [0,1,0,0,0,1|1,0,0]=3 431 B8R0.23 CN(C)C(=N)NC(=N)N SC-17468 [0,1,0,0,0,1|1,0,1]=4 432 B8R0.29 CC(C)(C)CCC(=O)O SC-49427 [0,1,0,0,0,1|2,0,0]=4 433 B8R0.29 CC(C)(C)NCC(=O)O SC-82899 [0,1,0,0,0,1|2,0,0]=4 434 B8R0.29 CC(C)(C)OCC(=O)O SC-46034 [0,1,0,0,0,1|2,0,0]=4 435 B8R0.2 CCC(C)C(N)C(=O)O SC-09608 [0,2,0,0,0,0|2,0,0]=4 436 B8R0.2 COC(=O)C(Br)C(C)C SC-16269 [0,2,0,0,0,0|2,0,0]=4 437 B8R0.2 CON(C)C(=O)C(=O)O SC-32952 [0,2,0,0,0,0|1,0,1]=4 438 B8R0.2 CON(C)C(=O)C(C)=O SC-33432 [0,2,0,0,0,0|1,0,1]=4 439 B8R0.2 [C@@H](N)(C(=O)O)[C@@H](C)OC SC-22105 [0,2,0,0,0,0|2,0,0]=4 440 B8R0.2 [C@H](C)(CC)[C@@H](N)C(=O)O SC-09606 [0,2,0,0,0,0|2,0,0]=4 441 B8R0.5 CCCC(=O)CC(C)C SC-99431 [0,2,0,0,0,0|2,0,0]=4 442 B8R0.5 CCOC(=O)CN(C)C SC-17425 [0,2,0,0,0,0|1,0,0]=3 443 B8R0.5 CCOC(=O)C[S+](C)C SC-43826 [0,2,0,0,0,0|2,0,0]=4 444 B8R0.16 CCN(CC)CC(=N)N SC-40403 [0,2,0,0,0,0|1,0,0]=3 445 B8R0.16 COC(CC(=N)N)OC SC-40215 [0,2,0,0,0,0|2,0,0]=4 446 B8R0.24 CC(C)(C)OC(=O)CN SC-09572 [0,2,0,0,0,0|2,0,0]=4 447 B8R0.24 CC(C)(C)OC(=O)CN SC-12172 [0,2,0,0,0,0|2,0,0]=4 448 B8R0.24 CC(C)(C)OC(=O)NN SC-15961 [0,2,0,0,0,0|2,0,0]=4 449 B8R0.24 CC(C)(C)OC(=O)NO SC-18661 [0,2,0,0,0,0|2,0,0]=4 450 B8R0.24 CCC(C)CS(N)(=O)=O SC-91047 [0,2,0,0,0,0|2,0,0]=4 451 B8R0.24 CNC(=O)CS(C)(=O)=O SC-02350 [0,2,0,0,0,0|2,0,0]=4 452 B8R0.27 CC(C)(C)C(N)C(=O)O SC-10341 [0,2,0,0,0,0|2,0,0]=4 453 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O SC-10342 [0,2,0,0,0,0|2,0,0]=4 454 B8R0.27 CC(C)(C)[C@H](N)C(=O)O SC-10343 [0,2,0,0,0,0|2,0,0]=4 455 B8R0.27 CC(C)(C)[C@H](N)C(N)=O SC-B0298 [0,2,0,0,0,0|1,0,0]=3 456 B8R0.27 CC(C)(O)[C@H](N)C(=O)O SC-58234 [0,2,0,0,0,0|2,0,0]=4 457 B8R0.27 CC(C)(S)C(N)C(=O)O SC-11163 [0,2,0,0,0,0|2,0,0]=4 458 B8R0.33 CC(C)(C)CS(N)(=O)=O SC-35348 [0,2,0,0,0,0|2,0,0]=4 459 B8R0.18 CC(C)[C@@H](CN)C(=O)O SC-A1204 [0,2,0,0,0,0|2,0,0]=4 460 B8R0.18 CC(C)[C@@H](CN)C(=O)O SC-A1205 [0,2,0,0,0,0|2,0,0]=4 461 B8R0.18 CC(C)[C@H](CN)C(=O)O SC-A1208 [0,2,0,0,0,0|2,0,0]=4 462 B8R0.18 CC(C)[C@H](CN)C(=O)O SC-A1209 [0,2,0,0,0,0|2,0,0]=4 463 B6R1.2 CC1CCNC1 SC-49333 [1,0,0,1,0,0|1,0,1]=4 464 B6R1.2 CN1CCCC1 SC-19022 [1,0,0,1,0,0|1,0,1]=4 465 B6R1.2 C[C@@H]1CCNC1 SC-23714 [1,0,0,1,0,0|1,0,1]=4 466 B6R1.2 C[C@@H]1CCNC1 SC-50232 [1,0,0,1,0,0|1,0,1]=4 467 B6R1.2 C[C@H]1CCNC1 SC-23913 [1,0,0,1,0,0|1,0,1]=4 468 B6R1.2 C[C@H]1CCNC1 SC-50233 [1,0,0,1,0,0|1,0,1]=4 469 B6R1.2 NC1=NCCC1 SC-68430 [1,0,0,1,0,0|2,0,0]=4 470 B6R1.2 NC1CCNC1 SC-62350 [1,0,0,1,0,0|1,0,1]=4 471 B6R1.2 O=C1C=CCN1 SC-67116 [1,0,0,1,0,0|1,0,1]=4 472 B6R1.2 O=C1CC=NN1 SC-89969 [1,0,0,1,0,0|2,0,0]=4 473 B6R1.2 O=C1CCCN1 SC-85210 [1,0,0,1,0,0|1,0,0]=3 474 B6R1.2 O=C1CCNC1 SC-24328 [1,0,0,1,0,0|1,0,0]=3 475 B6R1.2 O=C1CCNC1 SC-50749 [1,0,0,1,0,0|1,0,0]=3 476 B6R1.2 O=C1CCNN1 SC-21405 [1,0,0,1,0,0|2,0,0]=4 477 B6R1.2 O=C1CCOC1 SC-21867 [1,0,0,1,0,0|2,0,0]=4 478 B6R1.2 O=C1NCCS1 SC-27050 [1,0,0,1,0,0|2,0,0]=4 479 B6R1.2 [C@@H]1(N)CCNC1 SC-00476 [1,0,0,1,0,0|1,0,1]=4 480 B6R1.3 NCCC1CC1 SC-14247 [1,0,0,1,0,0|1,0,1]=4 481 B6R1.3 NCCC1CC1 SC-99606 [1,0,0,1,0,0|1,0,1]=4 482 B6R1.3 NNCC1CC1 SC-67047 [1,0,0,1,0,0|2,0,0]=4 483 B6R1.5 CN1CC(N)C1 SC-48566 [1,0,0,1,0,0|0,0,1]=3 484 B6R1.5 CN1CC(N)C1 SC-96394 [1,0,0,1,0,0|0,0,1]=3 485 B6R1.5 CN1CC(N)C1 SC-98163 [1,0,0,1,0,0|0,0,1]=3 486 B6R1.5 CN1CC(O)C1 SC-92160 [1,0,0,1,0,0|0,0,2]=4 487 B6R1.5 CO1CC(N)C1 SC-53803 [1,0,0,1,0,0|1,0,1]=4 488 B6R1.5 NC1CC(=O)C1 SC-50311 [1,0,0,1,0,0|2,0,0]=4 489 B6R1.5 NC1CC(=O)C1 SC-67476 [1,0,0,1,0,0|2,0,0]=4 490 B6R1.5 O=C1CC(Br)C1 SC-67930 [1,0,0,1,0,0|2,0,0]=4 491 B6R1.11 CC(=O)C1CO1 SC-70647 [1,0,0,1,0,0|2,0,0]=4 492 B6R1.11 CN(C)C1CC1 SC-00873 [1,0,0,1,0,0|1,0,1]=4 493 B6R1.11 N=C(N)C1CC1 SC-12465 [1,0,0,1,0,0|2,0,0]=4 494 B6R1.11 NC(=O)C1CC1 SC-92415 [1,0,0,1,0,0|1,0,0]=3 495 B6R1.11 O=C(Cl)C1CC1 SC-19263 [1,0,0,1,0,0|2,0,0]=4 496 B6R1.11 O=C(O)C1CC1 SC-22620 [1,0,0,1,0,0|2,0,0]=4 497 B6R1.11 O=C(O)C1CO1 SC-83949 [1,0,0,1,0,0|2,0,0]=4 498 B6R1.11 O=C(O)C1CS1 SC-70775 [1,0,0,1,0,0|2,0,0]=4 499 B8R1.3 CC1=CCC(=O)CC1 SC-83877 [0,0,0,1,0,1|2,0,0]=4 500 B8R1.3 CC1CCC(=O)CC1 SC-27685 [0,0,0,1,0,1|2,0,0]=4 501 B8R1.3 CN1CCC(=O)CC1 SC-01124 [0,0,0,1,0,1|1,0,0]=3 502 B8R1.3 CN1CCC(=S)CC1 SC-42847 [0,0,0,1,0,1|1,1,0]=4 503 B8R1.3 CN1CCN(N)CC1 SC-06294 [0,0,0,1,0,1|2,0,0]=4 504 B8R1.3 N[C@H]1CCC(=O)NC1 SC-A3084 [0,0,0,1,0,1|2,0,0]=4 505 B8R1.3 O=C1CCC(O)CN1 SC-14920 [0,0,0,1,0,1|2,0,0]=4 506 B8R1.3 O=C1CC[C@@H](O)CN1 SC-69872 [0,0,0,1,0,1|2,0,0]=4 507 B8R1.3 O=C1CC[C@H](O)CN1 SC-69873 [0,0,0,1,0,1|2,0,0]=4 508 B8R1.23 CC1CC(C(=O)O)C1 SC-73078 [0,0,0,1,0,1|2,0,0]=4 509 B8R1.23 CN1CC(C(=O)O)C1 SC-49053 [0,0,0,1,0,1|1,0,0]=3 510 B8R1.35 O=C(O)CCC1CC1 SC-31428 [0,0,0,1,0,1|2,0,0]=4 511 B8R1.51 CC1(C)CCC(=O)O1 SC-21203 [0,0,0,1,0,1|2,0,0]=4 512 B8R1.51 CC1(C)CNC(=O)C1 SC-70558 [0,0,0,1,0,1|2,0,0]=4 513 B8R1.1 CN1CCC(CN)C1 SC-29935 [0,1,0,1,0,0|1,0,1]=4 514 B8R1.1 CN1CCC(CN)C1 SC-51576 [0,1,0,1,0,0|1,0,1]=4 515 B8R1.1 CNC1CCN(C)C1 SC-46028 [0,1,0,1,0,0|1,0,1]=4 516 B8R1.1 COC1=CC(=O)NC1 SC-62904 [0,1,0,1,0,0|1,0,1]=4 517 B8R1.1 O=C1CC(CO)CN1 SC-66045 [0,1,0,1,0,0|1,0,0]=3 518 B8R1.1 O=C1NC[C@H](CCl)O1 SC-73276 [0,1,0,1,0,0|2,0,0]=4 519 B8R1.4 CC1CC(=O)CCN1 SC-14913 [0,1,0,1,0,0|2,0,0]=4 520 B8R1.4 CC1CC(=O)CCN1 SC-26346 [0,1,0,1,0,0|2,0,0]=4 521 B8R1.4 CC1CC(=O)CCO1 SC-43658 [0,1,0,1,0,0|2,0,0]=4 522 B8R1.4 CC1CCNC(=O)C1 SC-65553 [0,1,0,1,0,0|1,0,0]=3 523 B8R1.4 CC1CN(C)CCN1 SC-93123 [0,1,0,1,0,0|1,0,1]=4 524 B8R1.4 CC1CNCC(=O)N1 SC-68745 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.4 CN1CCCC(=O)C1 SC-88063 [0,1,0,1,0,0|1,0,0]=3 526 B8R1.4 CN1CCCC(N)C1 SC-48794 [0,1,0,1,0,0|1,0,1]=4 527 B8R1.4 CN1CCCC(N)C1 SC-52262 [0,1,0,1,0,0|1,0,1]=4 528 B8R1.4 CN1CCNC(=O)C1 SC-43594 [0,1,0,1,0,0|0,0,0]=2 529 B8R1.4 C[C@H]1CN(C)CCN1 SC-A3639 [0,1,0,1,0,0|1,0,1]=4 530 B8R1.4 NC1CCNC(=O)C1 SC-86171 [0,1,0,1,0,0|2,0,0]=4 531 B8R1.4 O=C1CC(O)CCN1 SC-14921 [0,1,0,1,0,0|2,0,0]=4 532 B8R1.4 O=C1CC(O)CCN1 SC-26449 [0,1,0,1,0,0|2,0,0]=4 533 B8R1.18 CC1=CC(N)=NN1C SC-51478 [0,1,0,1,0,0|2,0,0]=4 534 B8R1.18 CN1CC(N)CC1=O SC-B8397 [0,1,0,1,0,0|2,0,0]=4 535 B8R1.18 NN1CC(=O)NC1=O SC-48553 [0,1,0,1,0,0|1,0,1]=4 536 B8R1.34 CN(C)CC1CNC1 SC-A5390 [0,1,0,1,0,0|1,0,1]=4 537 B8R1.34 CN(C)CC1CNC1 SC-B8402 [0,1,0,1,0,0|1,0,1]=4 538 B8R1.34 O=C(O)CC1CCC1 SC-26391 [0,1,0,1,0,0|2,0,0]=4 539 B8R1.34 O=C(O)CC1COC1 SC-70807 [0,1,0,1,0,0|2,0,0]=4 540 B8R1.34 O=C(O)CN1CCC1 SC-A4384 [0,1,0,1,0,0|1,0,0]=3 541 B8R1.40 COC(=O)CC1CC1 SC-93890 [0,1,0,1,0,0|2,0,0]=4 542 B8R1.40 NCC(=O)OC1CC1 SC-19491 [0,1,0,1,0,0|2,0,0]=4 543 B8R1.40 NNC(=O)CC1CC1 SC-91241 [0,1,0,1,0,0|1,0,0]=3 544 B8R1.50 CC1=NNC(=O)C1C SC-21957 [0,1,0,1,0,0|2,0,0]=4 545 B8R1.54 NC(C(=O)O)C1CC1 SC-45627 [0,1,0,1,0,0|2,0,0]=4 546 B8R1.54 N[C@H](C(=O)O)C1CC1 SC-20216 [0,1,0,1,0,0|2,0,0]=4 547 B8R0.28 CC(C)C\C=C\C(=O)O SC-96534 [0,0,0,0,0,2|2,0,0]=4 548 B8R0.28 CN(C)CCCC(=N)N SC-42054 [0,0,0,0,0,2|1,0,0]=3 549 B8R0.28 CN(C)C\C=C\C(=O)O SC-20214 [0,0,0,0,0,2|1,0,0]=3 550 B8R0.28 CN(C)C\C=C\C(=O)O SC-82699 [0,0,0,0,0,2|1,0,0]=3