0 B7R0.6 C=C(Br)CCC(=C)Br SC-87522 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.6 C=C(C)CCC(=O)O SC-31541 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.6 CC(=O)CNC(C)=O SC-72248 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.6 CC(=O)NCB(O)O SC-87534 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.6 CC(=O)OCC(=O)O SC-65254 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.6 CC(=O)\C=C\C(=O)O SC-94119 [0,0,0,0,0,0|0,0,2]=2 6 B7R0.6 CC(C)CCC(=O)O SC-57917 [0,0,0,0,0,0|1,0,1]=2 7 B7R0.6 CC(C)CCC(C)O SC-53086 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.6 CC(C)CC[N+](=O)[O-] SC-93989 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.6 CC(C)OCC(=O)O SC-88240 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.6 CC(Cl)CCC(=O)Cl SC-74180 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.6 CC(O)CCC(C)O SC-92842 [0,0,0,0,0,0|1,0,3]=4 12 B7R0.6 CN(C)CCC(=N)N SC-40941 [0,0,0,0,0,0|4,0,0]=4 13 B7R0.6 CN(C)CCC(=O)O SC-84721 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.6 CN(C)CCC(=O)O SC-84792 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.6 CN(C)CCC(=O)O SC-98010 [0,0,0,0,0,0|2,0,0]=2 16 B7R0.6 CN(C)CCC(N)=O SC-89196 [0,0,0,0,0,0|3,0,0]=3 17 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [0,0,0,0,0,0|1,0,2]=3 18 B7R0.6 C[C@H](O)CC[C@H](C)O SC-03635 [0,0,0,0,0,0|1,0,3]=4 19 B7R0.6 N=C(N)CCC(N)=O SC-97509 [0,0,0,0,0,0|3,0,0]=3 20 B7R0.6 NC(=O)\N=N\C(N)=O SC-80021 [0,0,0,0,0,0|4,0,0]=4 21 B7R0.6 O=C(O)CC[N+](=O)[O-] SC-89718 [0,0,0,0,0,0|2,0,0]=2 22 B7R0.6 O=C([O-])C#CC(=O)O SC-16425 [0,0,0,0,0,0|1,0,2]=3 23 B7R0.6 O=C([O-])CCC(=O)[O-] SC-50216 [0,0,0,0,0,0|1,0,1]=2 24 B7R0.6 O=C([O-])\N=N\C(=O)[O-] SC-18812 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.4 C#CCCC(=O)O SC-51038 [1,0,0,0,0,0|0,0,2]=3 26 B6R0.4 C#CCOC(C)=O SC-90220 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.4 C=C(C)CCCBr SC-32900 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.4 C=C(C)CCCO SC-14313 [1,0,0,0,0,0|1,0,1]=3 29 B6R0.4 C=CCCC(=O)Cl SC-20705 [1,0,0,0,0,0|1,0,1]=3 30 B6R0.4 C=CCCC(=O)O SC-25836 [1,0,0,0,0,0|0,0,1]=2 31 B6R0.4 C=CCNC(C)=O SC-48071 [1,0,0,0,0,0|2,0,0]=3 32 B6R0.4 C=CNCC(=O)O SC-20808 [1,0,0,0,0,0|1,0,1]=3 33 B6R0.4 C=CNCC(=O)O SC-21370 [1,0,0,0,0,0|1,0,1]=3 34 B6R0.4 CC(=O)CCCBr SC-91341 [1,0,0,0,0,0|1,0,1]=3 35 B6R0.4 CC(=O)OCCO SC-95931 [1,0,0,0,0,0|1,0,1]=3 36 B6R0.4 CC(C)=NNC=O SC-26098 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.4 CC(C)CCCO SC-67391 [1,0,0,0,0,0|1,0,2]=4 38 B6R0.4 CCCCB(O)O SC-04512 [1,0,0,0,0,0|1,0,2]=4 39 B6R0.4 CCCCC(=O)Cl SC-46867 [1,0,0,0,0,0|1,0,1]=3 40 B6R0.4 CC\C=C\C(=O)O SC-92876 [1,0,0,0,0,0|0,0,3]=4 41 B6R0.4 CNCCC(=O)O SC-27492 [1,0,0,0,0,0|1,0,0]=2 42 B6R0.4 CNCCC(=O)O SC-52914 [1,0,0,0,0,0|1,0,0]=2 43 B6R0.4 COCCC(=N)N SC-40396 [1,0,0,0,0,0|3,0,0]=4 44 B6R0.4 COCCC(=O)O SC-50255 [1,0,0,0,0,0|1,0,0]=2 45 B6R0.4 CSCCC(=O)O SC-96567 [1,0,0,0,0,0|1,0,0]=2 46 B6R0.4 C\C=C\CC(=O)O SC-10968 [1,0,0,0,0,0|0,0,1]=2 47 B6R0.4 N#CCCC(=O)O SC-49854 [1,0,0,0,0,0|1,0,1]=3 48 B6R0.4 N=C(N)CCCO SC-70213 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.4 NCCCC(=O)O SC-10045 [1,0,0,0,0,0|1,0,1]=3 50 B6R0.4 O=C(Cl)CCCBr SC-70369 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.4 O=C(O)CCCBr SC-02994 [1,0,0,0,0,0|1,0,1]=3 52 B6R0.4 O=C(O)CCCCl SC-89723 [1,0,0,0,0,0|1,0,1]=3 53 B8R0.9 C=CC(N)CCC(=O)O SC-82297 [0,1,0,0,0,0|1,0,2]=4 54 B8R0.9 CC(=O)OCC(=O)CCl SC-53558 [0,1,0,0,0,0|2,0,0]=3 55 B8R0.9 CC(C)CCC(=O)NN SC-59735 [0,1,0,0,0,0|2,0,1]=4 56 B8R0.9 CC(CCl)CCC(=O)Cl SC-A5387 [0,1,0,0,0,0|2,0,1]=4 57 B8R0.9 CCC(=O)CCC(=O)O SC-58454 [0,1,0,0,0,0|0,0,0]=1 58 B8R0.9 CNC(=O)CCC(=O)O SC-70809 [0,1,0,0,0,0|0,0,0]=1 59 B8R0.9 COC(=O)CCC(=O)Cl SC-13608 [0,1,0,0,0,0|1,0,0]=2 60 B8R0.9 COC(=O)CCC(C)=O SC-74448 [0,1,0,0,0,0|0,0,0]=1 61 B8R0.9 COC(=O)CCC(N)=O SC-88449 [0,1,0,0,0,0|1,0,0]=2 62 B8R0.9 COC(=O)CCS(=O)[O-] SC-49113 [0,1,0,0,0,0|1,0,1]=3 63 B8R0.9 COC(=O)CNC(C)=O SC-66088 [0,1,0,0,0,0|1,0,0]=2 64 B8R0.9 COC(=O)NCC(=O)O SC-01599 [0,1,0,0,0,0|1,0,0]=2 65 B8R0.9 COC(=O)\C=C\C(=O)[O-] SC-65689 [0,1,0,0,0,0|0,0,3]=4 66 B8R0.9 NCC(=O)CCC(=O)O SC-15622 [0,1,0,0,0,0|0,0,0]=1 67 B8R0.9 NCC(=O)CCC(=O)O SC-52394 [0,1,0,0,0,0|0,0,0]=1 68 B8R0.23 C=C(Br)C[C@H](N)C(=O)O SC-A2609 [0,1,0,0,0,0|1,0,1]=3 69 B8R0.23 C=C(CC(=O)O)C(=O)O SC-75279 [0,1,0,0,0,0|1,0,1]=3 70 B8R0.23 C=C(NC(C)=O)C(=O)O SC-48847 [0,1,0,0,0,0|1,0,1]=3 71 B8R0.23 CC(=O)C(C)CC(=O)O SC-21504 [0,1,0,0,0,0|0,0,0]=1 72 B8R0.23 CC(=O)CC(O)[C@H](C)N SC-76554 [0,1,0,0,0,0|2,0,1]=4 73 B8R0.23 CC(=O)NC(C)C(=O)O SC-19084 [0,1,0,0,0,0|1,0,0]=2 74 B8R0.23 CC(=O)N[C@@H](C)C(=O)O SC-09273 [0,1,0,0,0,0|1,0,0]=2 75 B8R0.23 CC(=O)O[C@@H](C)C(N)=S SC-53477 [0,1,0,0,0,0|2,1,0]=4 76 B8R0.23 CC(C)CC(=O)C(=O)O SC-13856 [0,1,0,0,0,0|1,0,2]=4 77 B8R0.23 CC(C)CC(Br)C(=O)O SC-A4035 [0,1,0,0,0,0|1,0,1]=3 78 B8R0.23 CC(C)CC(N)C(=O)O SC-09638 [0,1,0,0,0,0|1,0,1]=3 79 B8R0.23 CC(C)CC(N)C(=O)O SC-09639 [0,1,0,0,0,0|1,0,1]=3 80 B8R0.23 CC(C)CC(O)C(=O)O SC-08876 [0,1,0,0,0,0|1,0,1]=3 81 B8R0.23 CC(C)CC(O)C(=O)O SC-25183 [0,1,0,0,0,0|1,0,1]=3 82 B8R0.23 CC(C)C[C@@H](N)C(=O)O SC-09637 [0,1,0,0,0,0|1,0,1]=3 83 B8R0.23 CC(C)C[C@@H](O)C(=O)O SC-13459 [0,1,0,0,0,0|1,0,1]=3 84 B8R0.23 CC(C)C[C@H](Cl)C(=O)O SC-08865 [0,1,0,0,0,0|1,0,1]=3 85 B8R0.23 CC(C)C[C@H](N)C(N)=O SC-09656 [0,1,0,0,0,0|2,0,1]=4 86 B8R0.23 CC(CC(=O)O)C(=O)O SC-51763 [0,1,0,0,0,0|1,0,0]=2 87 B8R0.23 CN(CC(=O)O)C(=N)N SC-46919 [0,1,0,0,0,0|3,0,0]=4 88 B8R0.23 C[C@@H](CC(=O)O)C(=O)O SC-08886 [0,1,0,0,0,0|1,0,0]=2 89 B8R0.23 NC(=O)C[C@@H](N)C(=O)O SC-09347 [0,1,0,0,0,0|1,0,0]=2 90 B8R0.23 NC(=O)NC(O)C(=O)O SC-49973 [0,1,0,0,0,0|2,0,0]=3 91 B8R0.23 NC(CC(=O)O)C(=O)[O-] SC-20735 [0,1,0,0,0,0|1,0,0]=2 92 B8R0.23 NC(CC(F)F)C(=O)O SC-48857 [0,1,0,0,0,0|2,0,1]=4 93 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] SC-15827 [0,1,0,0,0,0|1,0,0]=2 94 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] SC-19578 [0,1,0,0,0,0|1,0,0]=2 95 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] SC-65201 [0,1,0,0,0,0|1,0,0]=2 96 B8R0.23 O=C(O)CC(=O)C(=O)O SC-26830 [0,1,0,0,0,0|1,0,1]=3 97 B8R0.23 O=C(O)CC(O)C(=O)O SC-19305 [0,1,0,0,0,0|1,0,0]=2 98 B8R0.23 O=C(O)CC(O)C(=O)O SC-43909 [0,1,0,0,0,0|1,0,0]=2 99 B8R0.23 O=C(O)C[C@@H](Cl)C(=O)O SC-04187 [0,1,0,0,0,0|1,0,0]=2 100 B8R0.23 O=C(O)C[C@@H](O)C(=O)O SC-05990 [0,1,0,0,0,0|1,0,0]=2 101 B8R0.23 O=C(O)C[C@H](Br)C(=O)O SC-26843 [0,1,0,0,0,0|1,0,0]=2 102 B8R0.23 [C@@H](C)(OC(C)=O)C(=O)O SC-08840 [0,1,0,0,0,0|1,0,0]=2 103 B8R0.29 CC(C)(C)CCC(=O)O SC-49427 [0,1,0,0,0,0|1,0,1]=3 104 B8R0.29 CC(C)(C)NCC(=O)O SC-82899 [0,1,0,0,0,0|2,0,1]=4 105 B8R0.29 CC(C)(C)OCC(=O)O SC-46034 [0,1,0,0,0,0|2,0,1]=4 106 B8R0.29 CC(F)(F)CCC(=O)O SC-34612 [0,1,0,0,0,0|1,0,1]=3 107 B8R0.29 O=C(O)CCC(F)(F)F SC-44467 [0,1,0,0,0,0|2,0,1]=4 108 B8R1.3 CC1=CCC(=O)CC1 SC-83877 [0,0,0,1,0,0|2,0,0]=3 109 B8R1.3 CC1CCC(=O)CC1 SC-27685 [0,0,0,1,0,0|2,0,1]=4 110 B8R1.3 CN1CCC(=O)CC1 SC-01124 [0,0,0,1,0,0|3,0,0]=4 111 B8R1.3 NC1CCC(=O)CC1 SC-51421 [0,0,0,1,0,0|2,0,1]=4 112 B8R1.3 NC1CCC(=O)CC1 SC-94303 [0,0,0,1,0,0|2,0,1]=4 113 B8R1.3 N[C@H]1CCC(=O)NC1 SC-A3084 [0,0,0,1,0,0|2,0,1]=4 114 B8R1.3 O=C1CCC(=O)CC1 SC-15336 [0,0,0,1,0,0|1,0,0]=2 115 B8R1.3 O=C1CCC(=O)NN1 SC-90383 [0,0,0,1,0,0|2,0,0]=3 116 B8R1.3 O=C1CCC(Br)CC1 SC-97780 [0,0,0,1,0,0|2,0,1]=4 117 B8R1.3 O=C1CCC(O)CC1 SC-22101 [0,0,0,1,0,0|1,0,1]=3 118 B8R1.3 O=C1CCC(O)CN1 SC-14920 [0,0,0,1,0,0|1,0,2]=4 119 B8R1.3 O=C1CC[C@@H](O)CN1 SC-69872 [0,0,0,1,0,0|1,0,2]=4 120 B8R1.3 O=C1CC[C@H](O)CN1 SC-69873 [0,0,0,1,0,0|1,0,2]=4 121 B8R1.3 O=C1COC(=O)CO1 SC-86894 [0,0,0,1,0,0|1,0,0]=2 122 B8R1.23 C=C1CC(C(=O)O)C1 SC-20999 [0,0,0,1,0,0|1,0,0]=2 123 B8R1.23 CC(=O)N1CC(=O)C1 SC-49225 [0,0,0,1,0,0|2,0,0]=3 124 B8R1.23 CC(=O)N1CC(O)C1 SC-93602 [0,0,0,1,0,0|2,0,1]=4 125 B8R1.23 CC1CC(C(=O)O)C1 SC-73078 [0,0,0,1,0,0|1,0,1]=3 126 B8R1.23 CN1CC(C(=O)O)C1 SC-49053 [0,0,0,1,0,0|2,0,0]=3 127 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SC-48610 [0,0,0,1,0,0|1,0,1]=3 128 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SC-70419 [0,0,0,1,0,0|1,0,1]=3 129 B8R1.23 O=C(O)C1CC(F)C1 SC-26589 [0,0,0,1,0,0|1,0,1]=3 130 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 SC-96294 [0,0,0,1,0,0|0,0,2]=3 131 B8R1.23 O=C1CC(C(=O)O)C1 SC-14962 [0,0,0,1,0,0|0,0,0]=1 132 B8R1.23 O=C1CC(C(=O)O)N1 SC-51258 [0,0,0,1,0,0|1,0,0]=2 133 B8R1.23 [C@@H]1(C(=O)O)CC(=O)N1 SC-15020 [0,0,0,1,0,0|1,0,0]=2 134 B8R1.35 CC(=O)OCC1CO1 SC-74435 [0,0,0,1,0,0|2,0,1]=4 135 B8R1.35 O=C(O)CCC1CC1 SC-31428 [0,0,0,1,0,0|1,0,1]=3 136 B8R1.51 CC1(C)CCC(=O)O1 SC-21203 [0,0,0,1,0,0|1,0,1]=3 137 B8R1.51 CC1=CS(=O)(=O)CC1 SC-51215 [0,0,0,1,0,0|2,0,1]=4 138 B8R1.51 O=C1CCS(=O)(=O)C1 SC-47364 [0,0,0,1,0,0|1,0,1]=3 139 B8R1.77 O=C(O)C1CC1(F)F SC-82822 [0,0,0,1,0,0|2,0,1]=4 140 B6R0.2 C=C(C)CC(=O)O SC-31698 [0,0,0,0,1,0|1,0,0]=2 141 B6R0.2 CC(=O)CC(=O)O SC-69749 [0,0,0,0,1,0|0,0,0]=1 142 B6R0.2 CC(=O)CC(C)=O SC-68118 [0,0,0,0,1,0|1,0,0]=2 143 B6R0.2 CC(=O)CC(C)=O SC-77723 [0,0,0,0,1,0|1,0,0]=2 144 B6R0.2 CC(=O)NC(=N)N SC-45115 [0,0,0,0,1,0|3,0,0]=4 145 B6R0.2 CC(=O)NC(N)=O SC-87858 [0,0,0,0,1,0|2,0,0]=3 146 B6R0.2 CC(=O)[CH-]C(C)=O SC-19438 [0,0,0,0,1,0|1,0,1]=3 147 B6R0.2 CC(=O)\C=C(\C)N SC-89382 [0,0,0,0,1,0|2,0,1]=4 148 B6R0.2 CC(=O)\C=C(\C)O SC-20333 [0,0,0,0,1,0|1,0,1]=3 149 B6R0.2 CC(=O)\C=C(\C)O SC-67757 [0,0,0,0,1,0|1,0,1]=3 150 B6R0.2 CC(C)=CC(=O)Cl SC-17934 [0,0,0,0,1,0|2,0,1]=4 151 B6R0.2 CC(C)=CC(=O)O SC-16257 [0,0,0,0,1,0|1,0,1]=3 152 B6R0.2 CC(O)CC(=O)[O-] SC-85388 [0,0,0,0,1,0|0,0,3]=4 153 B6R0.2 CN(C)CC(=O)Cl SC-48853 [0,0,0,0,1,0|3,0,0]=4 154 B6R0.2 CN(C)CC(=O)O SC-09555 [0,0,0,0,1,0|2,0,0]=3 155 B6R0.2 CN(C)CC(=O)O SC-51828 [0,0,0,0,1,0|2,0,0]=3 156 B6R0.2 CN(C)CC(N)=O SC-89197 [0,0,0,0,1,0|3,0,0]=4 157 B6R0.2 C[C@@H](N)CC(=O)O SC-10059 [0,0,0,0,1,0|1,0,1]=3 158 B6R0.2 C[C@@H](N)CC(=O)O SC-44142 [0,0,0,0,1,0|1,0,1]=3 159 B6R0.2 C[C@H](N)CC(=O)O SC-21979 [0,0,0,0,1,0|1,0,1]=3 160 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [0,0,0,0,1,0|0,0,2]=3 161 B6R0.2 C[S+](C)CC(=O)[O-] SC-72907 [0,0,0,0,1,0|2,0,1]=4 162 B6R0.2 NC(=O)CC(N)=O SC-47182 [0,0,0,0,1,0|2,0,0]=3 163 B6R0.2 O=C(Cl)CC(=O)Cl SC-98168 [0,0,0,0,1,0|2,0,0]=3 164 B6R0.2 O=C(O)CC(=O)O SC-77641 [0,0,0,0,1,0|1,0,0]=2 165 B6R0.2 O=C([O-])CC(=O)[O-] SC-94719 [0,0,0,0,1,0|1,0,1]=3 166 B8R0.28 C=C(C)CCCC(=O)O SC-31519 [0,0,0,0,0,1|1,0,0]=2 167 B8R0.28 CC(=O)C\C=C\C(=O)O SC-70039 [0,0,0,0,0,1|0,0,1]=2 168 B8R0.28 CC(C)C\C=C\C(=O)O SC-96534 [0,0,0,0,0,1|1,0,2]=4 169 B8R0.28 CN(C)C\C=C\C(=O)O SC-20214 [0,0,0,0,0,1|2,0,1]=4 170 B8R0.28 CN(C)C\C=C\C(=O)O SC-82699 [0,0,0,0,0,1|2,0,1]=4 171 B8R0.28 N=C(N)NCCC(=O)O SC-46005 [0,0,0,0,0,1|2,0,0]=3 172 B8R0.28 NC(=O)CCCC(N)=O SC-87623 [0,0,0,0,0,1|2,0,0]=3 173 B8R0.28 O=C(Cl)CCCC(=O)Cl SC-52786 [0,0,0,0,0,1|2,0,0]=3 174 B8R0.28 O=C(O)CNCC(=O)O SC-79871 [0,0,0,0,0,1|1,0,0]=2 175 B8R0.28 O=C(O)COCC(=O)O SC-93218 [0,0,0,0,0,1|1,0,0]=2 176 B8R0.28 O=C(O)\C=C\CC(=O)O SC-37894 [0,0,0,0,0,1|1,0,1]=3 177 B5R0.1 C#CCC(=O)O SC-40344 [2,0,0,0,0,0|0,0,2]=4 178 B5R0.1 C=C(C)CCBr SC-26305 [2,0,0,0,0,0|2,0,0]=4 179 B5R0.1 C=C(C)CCI SC-35692 [2,0,0,0,0,0|2,0,0]=4 180 B5R0.1 C=C(C)CCO SC-28771 [2,0,0,0,0,0|1,0,0]=3 181 B5R0.1 C=CCC(=O)O SC-49093 [2,0,0,0,0,0|0,0,1]=3 182 B5R0.1 CC#CC(=O)O SC-76460 [2,0,0,0,0,0|0,0,2]=4 183 B5R0.1 CC(=O)C=C=O SC-76855 [2,0,0,0,0,0|0,0,2]=4 184 B5R0.1 CC(=O)CC#N SC-26510 [2,0,0,0,0,0|1,0,1]=4 185 B5R0.1 CC(=O)CCCl SC-21586 [2,0,0,0,0,0|1,0,0]=3 186 B5R0.1 CC(=O)CCO SC-65678 [2,0,0,0,0,0|0,0,0]=2 187 B5R0.1 CC(=O)NCO SC-19774 [2,0,0,0,0,0|1,0,0]=3 188 B5R0.1 CC(=O)OCBr SC-44237 [2,0,0,0,0,0|2,0,0]=4 189 B5R0.1 CC(=O)OCCl SC-47539 [2,0,0,0,0,0|2,0,0]=4 190 B5R0.1 CC(=O)\C=N/O SC-89466 [2,0,0,0,0,0|1,0,1]=4 191 B5R0.1 CC(=O)\C=N\O SC-51367 [2,0,0,0,0,0|1,0,1]=4 192 B5R0.1 CC(=O)\C=N\O SC-68143 [2,0,0,0,0,0|1,0,1]=4 193 B5R0.1 CC(C)=CC=O SC-00290 [2,0,0,0,0,0|1,0,1]=4 194 B5R0.1 CC(N)CCO SC-82589 [2,0,0,0,0,0|1,0,1]=4 195 B5R0.1 CCCB(O)O SC-47544 [2,0,0,0,0,0|1,0,1]=4 196 B5R0.1 CCCC(=N)N SC-19347 [2,0,0,0,0,0|2,0,0]=4 197 B5R0.1 CCCC(=O)[O-] SC-15718 [2,0,0,0,0,0|0,0,1]=3 198 B5R0.1 CCCC(C)O SC-03320 [2,0,0,0,0,0|1,0,1]=4 199 B5R0.1 CN(C)CC=O SC-51643 [2,0,0,0,0,0|2,0,0]=4 200 B5R0.1 CN(C)CC=O SC-88142 [2,0,0,0,0,0|2,0,0]=4 201 B5R0.1 CN(C)CCO SC-87330 [2,0,0,0,0,0|2,0,0]=4 202 B5R0.1 CNCC(N)=O SC-10429 [2,0,0,0,0,0|2,0,0]=4 203 B5R0.1 COCC(=O)Cl SC-27381 [2,0,0,0,0,0|2,0,0]=4 204 B5R0.1 CS(=O)CCN SC-89327 [2,0,0,0,0,0|2,0,0]=4 205 B5R0.1 CSCC(N)=O SC-27108 [2,0,0,0,0,0|2,0,0]=4 206 B5R0.1 C[C@@H](N)CCO SC-48293 [2,0,0,0,0,0|1,0,1]=4 207 B5R0.1 C[C@@H](O)CCO SC-05919 [2,0,0,0,0,0|0,0,2]=4 208 B5R0.1 C[C@H](N)CCO SC-88699 [2,0,0,0,0,0|1,0,1]=4 209 B5R0.1 C[C@H](O)CCO SC-02840 [2,0,0,0,0,0|0,0,2]=4 210 B5R0.1 C\C=C/C(C)=O SC-48085 [2,0,0,0,0,0|1,0,1]=4 211 B5R0.1 C\C=C\C(=O)Cl SC-16256 [2,0,0,0,0,0|1,0,1]=4 212 B5R0.1 C\C=C\C(=O)O SC-25924 [2,0,0,0,0,0|0,0,1]=3 213 B5R0.1 NCCC(N)=O SC-48688 [2,0,0,0,0,0|2,0,0]=4 214 B5R0.1 NCCC(N)=O SC-84499 [2,0,0,0,0,0|2,0,0]=4 215 B5R0.1 O=C(Cl)CCCl SC-16310 [2,0,0,0,0,0|2,0,0]=4 216 B5R0.1 O=C(O)CCF SC-53145 [2,0,0,0,0,0|1,0,0]=3 217 B5R0.1 O=C(O)CCS SC-22642 [2,0,0,0,0,0|0,1,0]=3 218 B5R0.1 O=[N+]([O-])CCO SC-22550 [2,0,0,0,0,0|2,0,0]=4 219 B5R0.2 C=CCCC=C SC-91437 [2,0,0,0,0,0|1,0,1]=4 220 B5R0.2 C=CCCCO SC-78424 [2,0,0,0,0,0|0,0,2]=4 221 B5R0.2 CC#CCC=O SC-89818 [2,0,0,0,0,0|0,0,2]=4 222 B5R0.2 CNCCCO SC-94106 [2,0,0,0,0,0|1,0,1]=4 223 B5R0.2 COCCC=O SC-85357 [2,0,0,0,0,0|1,0,0]=3 224 B5R0.2 O=CCCC=O SC-13455 [2,0,0,0,0,0|0,0,0]=2 225 B5R0.2 O=CCCCBr SC-69595 [2,0,0,0,0,0|1,0,1]=4 226 B7R0.2 CCC(N)CC(=O)O SC-59260 [1,1,0,0,0,0|0,0,1]=3 227 B7R0.2 CCC(O)CC(C)=O SC-92943 [1,1,0,0,0,0|1,0,1]=4 228 B7R0.2 COC(=O)CC(=O)O SC-21351 [1,1,0,0,0,0|1,0,1]=4 229 B7R0.2 NCC(O)CC(=O)O SC-50844 [1,1,0,0,0,0|1,0,1]=4 230 B7R0.2 NC[C@@H](O)CC(=O)O SC-04302 [1,1,0,0,0,0|1,0,1]=4 231 B7R0.2 N[C@H](CO)CC(=O)O SC-72100 [1,1,0,0,0,0|0,0,2]=4 232 B7R0.3 C#CCCC(=O)OC SC-92252 [1,1,0,0,0,0|0,0,2]=4 233 B7R0.3 C=CCCC(=O)OC SC-85069 [1,1,0,0,0,0|0,0,1]=3 234 B7R0.3 C=CCOC(=O)CCl SC-95960 [1,1,0,0,0,0|2,0,0]=4 235 B7R0.3 C=CCOC(=O)OC SC-82329 [1,1,0,0,0,0|1,0,1]=4 236 B7R0.3 CCCCC(=O)NN SC-59745 [1,1,0,0,0,0|1,0,1]=4 237 B7R0.3 CNC(=O)CCCN SC-A4646 [1,1,0,0,0,0|1,0,1]=4 238 B7R0.3 CNCCC(=O)NC SC-02483 [1,1,0,0,0,0|2,0,0]=4 239 B7R0.3 COC(=O)CCC#N SC-20469 [1,1,0,0,0,0|1,0,1]=4 240 B7R0.3 COC(=O)CCC=O SC-47529 [1,1,0,0,0,0|0,0,0]=2 241 B7R0.3 COC(=O)CCCBr SC-46963 [1,1,0,0,0,0|1,0,1]=4 242 B7R0.3 COC(=O)CCCO SC-43794 [1,1,0,0,0,0|0,0,1]=3 243 B7R0.3 COC(=O)CN=C=O SC-49023 [1,1,0,0,0,0|1,0,1]=4 244 B7R0.3 COCCC(=O)OC SC-46379 [1,1,0,0,0,0|1,0,0]=3 245 B7R0.4 C#CCCCC(=O)O SC-73017 [1,1,0,0,0,0|0,0,2]=4 246 B7R0.4 C#CCCOC(C)=O SC-50550 [1,1,0,0,0,0|1,0,1]=4 247 B7R0.4 C#CCNCC(=O)O SC-10418 [1,1,0,0,0,0|0,0,2]=4 248 B7R0.4 C#CCNCC(=O)O SC-10419 [1,1,0,0,0,0|0,0,2]=4 249 B7R0.4 C#CCNCC(=O)O SC-65650 [1,1,0,0,0,0|0,0,2]=4 250 B7R0.4 C=C(C)CCCCO SC-32201 [1,1,0,0,0,0|1,0,1]=4 251 B7R0.4 C=CCCCC(=O)O SC-93956 [1,1,0,0,0,0|0,0,1]=3 252 B7R0.4 C=CCNCC(=O)O SC-74362 [1,1,0,0,0,0|0,0,1]=3 253 B7R0.4 C=CCOCC(=O)O SC-35140 [1,1,0,0,0,0|0,0,1]=3 254 B7R0.4 C=CCOCC(=O)O SC-49027 [1,1,0,0,0,0|0,0,1]=3 255 B7R0.4 CCCNCC(=O)O SC-97541 [1,1,0,0,0,0|0,0,1]=3 256 B7R0.4 CCCSCC(=O)O SC-45283 [1,1,0,0,0,0|0,0,1]=3 257 B7R0.4 CCC\C=C\C(=O)O SC-39942 [1,1,0,0,0,0|0,0,2]=4 258 B7R0.4 CNCCCC(=O)O SC-49793 [1,1,0,0,0,0|0,0,1]=3 259 B7R0.4 CNCCCC(=O)O SC-A2900 [1,1,0,0,0,0|0,0,1]=3 260 B7R0.4 COCCCC(=O)O SC-51378 [1,1,0,0,0,0|0,0,1]=3 261 B7R0.4 COCCNC(N)=O SC-62189 [1,1,0,0,0,0|2,0,0]=4 262 B7R0.4 C\C=C\CCC(=O)O SC-21245 [1,1,0,0,0,0|0,0,0]=2 263 B7R0.4 NC(=O)CCCCBr SC-98143 [1,1,0,0,0,0|1,0,1]=4 264 B7R0.4 NCCCCC(=O)O SC-10120 [1,1,0,0,0,0|0,0,1]=3 265 B7R0.4 NCCCCC(=O)O SC-92391 [1,1,0,0,0,0|0,0,1]=3 266 B7R0.4 NCCCCC(N)=O SC-94858 [1,1,0,0,0,0|1,0,1]=4 267 B7R0.4 NCCCCC(N)=O SC-A4262 [1,1,0,0,0,0|1,0,1]=4 268 B7R0.4 NCCNCC(=O)O SC-21750 [1,1,0,0,0,0|1,0,1]=4 269 B7R0.4 O=C(Cl)CCCCBr SC-13447 [1,1,0,0,0,0|1,0,1]=4 270 B7R0.4 O=C(Cl)CCCCCl SC-16009 [1,1,0,0,0,0|1,0,1]=4 271 B7R0.4 O=C(O)CCCCBr SC-02338 [1,1,0,0,0,0|0,0,1]=3 272 B7R0.4 O=C([O-])COCCO SC-A2671 [1,1,0,0,0,0|1,0,1]=4 273 B7R0.5 C#CCC(N)C(=O)O SC-70414 [1,1,0,0,0,0|0,0,2]=4 274 B7R0.5 C#CC[C@@H](N)C(=O)O SC-A2980 [1,1,0,0,0,0|0,0,2]=4 275 B7R0.5 C=CCC(N)C(=O)O SC-10031 [1,1,0,0,0,0|0,0,1]=3 276 B7R0.5 C=CCC(N)C(=O)O SC-10032 [1,1,0,0,0,0|0,0,1]=3 277 B7R0.5 C=CCC(N)C(=O)O SC-14116 [1,1,0,0,0,0|0,0,1]=3 278 B7R0.5 C=CC[C@@H](N)C(=O)O SC-25316 [1,1,0,0,0,0|0,0,1]=3 279 B7R0.5 C=CC[C@H](N)C(=O)O SC-14143 [1,1,0,0,0,0|0,0,1]=3 280 B7R0.5 CCCC(Br)C(=O)O SC-27020 [1,1,0,0,0,0|0,0,1]=3 281 B7R0.5 CCC[C@@H](C)C(=O)O SC-43566 [1,1,0,0,0,0|0,0,1]=3 282 B7R0.5 CCC[C@H](C)C(=O)O SC-67603 [1,1,0,0,0,0|0,0,1]=3 283 B7R0.5 CCC[C@H](N)C(=O)O SC-06139 [1,1,0,0,0,0|0,0,1]=3 284 B7R0.5 CCC[C@H](O)C(=O)O SC-21948 [1,1,0,0,0,0|0,0,1]=3 285 B7R0.5 COCC(N)C(=O)O SC-43930 [1,1,0,0,0,0|1,0,0]=3 286 B7R0.5 COC[C@@H](N)C(=O)O SC-44175 [1,1,0,0,0,0|1,0,0]=3 287 B7R0.5 COC[C@@H](N)C(=O)O SC-52821 [1,1,0,0,0,0|1,0,0]=3 288 B7R0.5 COC[C@H](N)C(=O)O SC-26107 [1,1,0,0,0,0|1,0,0]=3 289 B7R0.5 COC[C@H](N)C(=O)O SC-47929 [1,1,0,0,0,0|1,0,0]=3 290 B7R0.5 NC(CCO)C(=O)O SC-10290 [1,1,0,0,0,0|0,0,2]=4 291 B7R0.5 NCCC(N)C(=O)O SC-10146 [1,1,0,0,0,0|1,0,1]=4 292 B7R0.5 NCCC(N)C(=O)O SC-20723 [1,1,0,0,0,0|1,0,1]=4 293 B7R0.5 NCCC(N)C(=O)O SC-23452 [1,1,0,0,0,0|1,0,1]=4 294 B7R0.5 NCCC(N)C(=O)O SC-25055 [1,1,0,0,0,0|1,0,1]=4 295 B7R0.5 NCCC(O)C(=O)O SC-16245 [1,1,0,0,0,0|1,0,1]=4 296 B7R0.5 NCC[C@@H](O)C(=O)O SC-26595 [1,1,0,0,0,0|1,0,1]=4 297 B7R0.5 NCC[C@H](N)C(=O)O SC-10144 [1,1,0,0,0,0|1,0,1]=4 298 B7R0.5 N[C@@H](CCO)C(=O)O SC-10291 [1,1,0,0,0,0|0,0,2]=4 299 B7R0.8 CNCCS(=O)(=O)O SC-99470 [1,1,0,0,0,0|2,0,0]=4 300 B7R0.8 CS(=O)(=O)CCCO SC-A4044 [1,1,0,0,0,0|1,0,1]=4 301 B7R0.9 CC(C)(N)CC(=O)O SC-43668 [0,1,0,0,1,0|1,0,1]=4 302 B7R0.9 CS(=O)(=O)CC(=O)O SC-23267 [0,1,0,0,1,0|1,0,0]=3 303 B7R0.9 C[N+](C)(C)CC(=O)O SC-27478 [0,1,0,0,1,0|2,0,0]=4 304 B7R0.9 O=C(O)CP(=O)(O)O SC-48625 [0,1,0,0,1,0|2,0,0]=4 305 B7R0.16 CC(=O)C(C)C(C)=O SC-08152 [0,1,0,0,1,0|1,0,0]=3 306 B7R0.16 CC(C(=O)O)C(=O)O SC-16059 [0,1,0,0,1,0|1,0,0]=3 307 B7R0.16 CC(C)C(N)C(=O)O SC-09985 [0,1,0,0,1,0|1,0,1]=4 308 B7R0.16 CC(C)C(O)C(=O)O SC-08874 [0,1,0,0,1,0|1,0,1]=4 309 B7R0.16 CC(C)C(O)C(=O)O SC-A2103 [0,1,0,0,1,0|1,0,1]=4 310 B7R0.16 CC(C)[C@@H](O)C(=O)O SC-01716 [0,1,0,0,1,0|1,0,1]=4 311 B7R0.16 CC(N)C(N)C(=O)O SC-10139 [0,1,0,0,1,0|1,0,1]=4 312 B7R0.16 CC(O)C(N)C(=O)O SC-09869 [0,1,0,0,1,0|0,0,2]=4 313 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SC-09868 [0,1,0,0,1,0|0,0,2]=4 314 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SC-09866 [0,1,0,0,1,0|0,0,2]=4 315 B7R0.16 C[C@H](O)C(N)C(=O)O SC-46538 [0,1,0,0,1,0|0,0,2]=4 316 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SC-09865 [0,1,0,0,1,0|0,0,2]=4 317 B7R0.16 NC(=O)C(N)C(N)=O SC-47934 [0,1,0,0,1,0|2,0,0]=4 318 B7R0.16 [C@@H](Cl)(C(=O)O)C(C)C SC-03021 [0,1,0,0,1,0|1,0,1]=4 319 B9R0.1 C=CC(=O)OCCC(=O)O SC-65069 [0,1,0,0,0,1|0,0,1]=3 320 B9R0.1 CN(CCCC(=O)O)N=O SC-A4543 [0,1,0,0,0,1|1,0,0]=3 321 B9R0.1 COC(=O)CCCC(=O)O SC-85837 [0,1,0,0,0,1|0,0,0]=2 322 B9R0.1 COC(=O)CCCC(C)=O SC-A5811 [0,1,0,0,0,1|0,0,0]=2 323 B9R0.1 COC(=O)CCC[N+](=O)[O-] SC-70223 [0,1,0,0,0,1|1,0,1]=4 324 B9R0.1 COC(=O)CSCC(C)=O SC-68739 [0,1,0,0,0,1|0,0,0]=2 325 B9R0.7 C=C(C)CC[C@H](C)C(=O)O SC-31724 [0,1,0,0,0,1|1,0,0]=3 326 B9R0.7 CC(=O)N(C)CCC(=O)O SC-21566 [0,1,0,0,0,1|0,0,0]=2 327 B9R0.7 CC(C)=CCC(N)C(=O)O SC-22867 [0,1,0,0,0,1|1,0,0]=3 328 B9R0.7 CC(C)CC[C@H](N)C(=O)O SC-93270 [0,1,0,0,0,1|1,0,1]=4 329 B9R0.7 CC(C)OC[C@H](N)C(=O)O SC-68757 [0,1,0,0,0,1|1,0,1]=4 330 B9R0.7 CC(CCC(=O)Cl)C(=O)Cl SC-25336 [0,1,0,0,0,1|2,0,0]=4 331 B9R0.7 CC(CCC(=O)O)C(=O)O SC-53293 [0,1,0,0,0,1|1,0,0]=3 332 B9R0.7 NC(=O)NC[C@H](N)C(=O)O SC-66318 [0,1,0,0,0,1|1,0,0]=3 333 B9R0.7 NC(=O)SCC(N)C(=O)O SC-25048 [0,1,0,0,0,1|1,0,0]=3 334 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O SC-94352 [0,1,0,0,0,1|1,0,0]=3 335 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O SC-05406 [0,1,0,0,0,1|1,0,0]=3 336 B9R0.7 N[C@H](CCC(=O)O)C(=O)O SC-09473 [0,1,0,0,0,1|1,0,0]=3 337 B9R0.7 N[C@H](CCC(=O)O)C(=O)O SC-49449 [0,1,0,0,0,1|1,0,0]=3 338 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O SC-24972 [0,1,0,0,0,1|1,0,0]=3 339 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] SC-20382 [0,1,0,0,0,1|1,0,1]=4 340 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] SC-88740 [0,1,0,0,0,1|1,0,1]=4 341 B9R0.53 CC(C)C[C@H](N)CC(=O)O SC-26176 [0,1,0,0,0,1|1,0,1]=4 342 B9R0.53 CC(CC(=O)O)CC(=O)O SC-15126 [0,1,0,0,0,1|1,0,0]=3 343 B9R0.56 CC(=O)NCCS(N)(=O)=O SC-50004 [0,1,0,0,0,1|1,0,1]=4 344 B9R0.56 CC(F)(F)CCCC(=O)O SC-34273 [0,1,0,0,0,1|1,0,1]=4 345 B9R0.21 COC(=O)CCS(=O)(=O)Cl SC-48401 [0,2,0,0,0,0|1,0,1]=4 346 B9R0.23 C=C(CC(=O)[O-])C(=O)OC SC-A2138 [0,2,0,0,0,0|0,0,2]=4 347 B9R0.23 C=C(NC(C)=O)C(=O)OC SC-81944 [0,2,0,0,0,0|1,0,1]=4 348 B9R0.23 COC(=O)C(=O)CC(C)=O SC-50826 [0,2,0,0,0,0|0,0,1]=3 349 B9R0.23 COC(=O)C(N)CC(C)C SC-09664 [0,2,0,0,0,0|1,0,1]=4 350 B9R0.23 COC(=O)[C@@H](N)CC(=O)O SC-24738 [0,2,0,0,0,0|0,0,0]=2 351 B9R0.23 COC(=O)[C@H](N)CC(=O)O SC-65762 [0,2,0,0,0,0|0,0,0]=2 352 B9R0.23 COC(=O)[C@H](N)CC(C)C SC-24788 [0,2,0,0,0,0|1,0,1]=4 353 B9R0.24 CCC(=O)CCC(=O)CC SC-89953 [0,2,0,0,0,0|1,0,0]=3 354 B9R0.24 COC(=O)C#CC(=O)OC SC-16424 [0,2,0,0,0,0|0,0,2]=4 355 B9R0.24 COC(=O)CCC(=O)CN SC-01776 [0,2,0,0,0,0|0,0,0]=2 356 B9R0.42 COC(=O)CC(N)C(=O)O SC-34732 [0,2,0,0,0,0|0,0,0]=2 357 B9R0.42 COC(=O)C[C@H](N)C(=O)O SC-09414 [0,2,0,0,0,0|0,0,0]=2 358 B9R0.42 COC(=O)C[C@H](N)C(=O)O SC-49628 [0,2,0,0,0,0|0,0,0]=2 359 B9R0.48 CC(C)CCC(=O)OCCl SC-69819 [0,2,0,0,0,0|1,0,1]=4 360 B9R0.48 CCOC(=O)CCC(=O)O SC-48671 [0,2,0,0,0,0|0,0,0]=2 361 B9R0.48 CCOC(=O)CCC(C)C SC-41649 [0,2,0,0,0,0|1,0,1]=4 362 B9R0.48 CCOC(=O)CC[N+](=O)[O-] SC-91165 [0,2,0,0,0,0|1,0,1]=4 363 B9R0.48 CCOC(=O)\C=C\C(=O)O SC-17455 [0,2,0,0,0,0|0,0,2]=4 364 B9R0.11 CC(=O)OC(C)(C)C(=O)Br SC-17645 [0,2,0,0,0,0|2,0,0]=4 365 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl SC-25915 [0,2,0,0,0,0|2,0,0]=4 366 B9R0.11 CC(C)(CC(=O)O)C(=O)O SC-26972 [0,2,0,0,0,0|1,0,0]=3 367 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O SC-A4616 [0,2,0,0,0,0|1,0,1]=4 368 B9R0.11 CC(C)C[C@](C)(N)C(=O)O SC-A4612 [0,2,0,0,0,0|1,0,1]=4 369 B9R0.39 CC(=O)N[C@H](CS)C(=O)O SC-68544 [0,2,0,0,0,0|1,0,0]=3 370 B9R0.39 CN[C@@H](CC(C)C)C(=O)O SC-82208 [0,2,0,0,0,0|1,0,1]=4 371 B9R0.39 CN[C@@H](CC(C)C)C(=O)O SC-A5131 [0,2,0,0,0,0|1,0,1]=4 372 B9R0.57 CC(C)(C)CC(N)C(=O)O SC-20148 [0,2,0,0,0,0|1,0,1]=4 373 B9R0.57 CC(C)(C)CC(N)C(=O)O SC-70362 [0,2,0,0,0,0|1,0,1]=4 374 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O SC-52818 [0,2,0,0,0,0|1,0,1]=4 375 B9R0.57 [C@H](N)(CS(=O)(=O)O)C(=O)O SC-09435 [0,2,0,0,0,0|2,0,0]=4 376 B9R0.79 CC(C)C(O)C(N)C(=O)O SC-48909 [0,2,0,0,0,0|1,0,1]=4 377 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O SC-48910 [0,2,0,0,0,0|1,0,1]=4 378 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O SC-A0972 [0,2,0,0,0,0|0,0,2]=4 379 B9R0.79 NC(C(=O)O)C(N)C(=O)O SC-10250 [0,2,0,0,0,0|1,0,0]=3 380 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O SC-10302 [0,2,0,0,0,0|1,0,0]=3 381 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O SC-10299 [0,2,0,0,0,0|1,0,0]=3 382 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O SC-10301 [0,2,0,0,0,0|1,0,0]=3 383 B9R0.79 O=C(O)C(O)C(O)C(=O)O SC-31926 [0,2,0,0,0,0|1,0,0]=3 384 B9R0.79 O=C(O)C(O)C(O)C(=O)O SC-32131 [0,2,0,0,0,0|1,0,0]=3 385 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O SC-44061 [0,2,0,0,0,0|1,0,0]=3 386 B9R0.79 O=C(O)[C@H](Br)[C@H](Br)C(=O)O SC-19661 [0,2,0,0,0,0|1,0,0]=3 387 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O SC-08893 [0,2,0,0,0,0|1,0,0]=3 388 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O SC-53509 [0,2,0,0,0,0|1,0,0]=3 389 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] SC-65603 [0,2,0,0,0,0|1,0,1]=4 390 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] SC-65119 [0,2,0,0,0,0|1,0,1]=4 391 B7R1.2 CC1=CC(=O)CC1 SC-18727 [1,0,0,1,0,0|1,0,0]=3 392 B7R1.2 CC1=CC(=O)OC1 SC-25541 [1,0,0,1,0,0|2,0,0]=4 393 B7R1.2 CC1CCC(=O)C1 SC-93748 [1,0,0,1,0,0|1,0,1]=4 394 B7R1.2 CC1CCC(=O)N1 SC-89347 [1,0,0,1,0,0|1,0,1]=4 395 B7R1.2 C[C@@H]1CCC(=O)O1 SC-65777 [1,0,0,1,0,0|0,0,1]=3 396 B7R1.2 C[C@H]1CCC(=O)O1 SC-86851 [1,0,0,1,0,0|0,0,1]=3 397 B7R1.2 C[C@H]1COC(=O)O1 SC-04943 [1,0,0,1,0,0|1,0,1]=4 398 B7R1.2 O=C1C=C(O)CO1 SC-21646 [1,0,0,1,0,0|1,0,1]=4 399 B7R1.2 O=C1CC(O)CN1 SC-29049 [1,0,0,1,0,0|1,0,1]=4 400 B7R1.2 O=C1CCC(=O)C1 SC-15331 [1,0,0,1,0,0|0,0,0]=2 401 B7R1.2 O=C1CCC(Cl)O1 SC-69818 [1,0,0,1,0,0|1,0,1]=4 402 B7R1.2 O=C1CNC(=O)C1 SC-88883 [1,0,0,1,0,0|1,0,0]=3 403 B7R1.2 O=C1CNC(=O)O1 SC-21301 [1,0,0,1,0,0|1,0,0]=3 404 B7R1.2 O=C1COC(=O)C1 SC-86968 [1,0,0,1,0,0|1,0,0]=3 405 B7R1.2 O=C1COC(=O)N1 SC-49693 [1,0,0,1,0,0|2,0,0]=4 406 B7R1.2 O=C1C[C@@H](O)CN1 SC-02616 [1,0,0,1,0,0|1,0,1]=4 407 B7R1.2 O=C1C[C@H](O)CN1 SC-13587 [1,0,0,1,0,0|1,0,1]=4 408 B7R1.2 O=C1C[C@H](O)CO1 SC-06559 [1,0,0,1,0,0|1,0,1]=4 409 B7R1.3 O=C1CCCCN1 SC-16274 [1,0,0,1,0,0|1,0,1]=4 410 B7R1.3 O=C1CCCCO1 SC-65111 [1,0,0,1,0,0|0,0,1]=3 411 B7R1.3 O=C1CCCNC1 SC-29391 [1,0,0,1,0,0|1,0,1]=4 412 B7R1.3 O=C1CCCNC1 SC-48015 [1,0,0,1,0,0|1,0,1]=4 413 B7R1.3 O=C1CCCOC1 SC-14944 [1,0,0,1,0,0|0,0,1]=3 414 B7R1.3 O=C1CCNCC1 SC-04379 [1,0,0,1,0,0|2,0,0]=4 415 B7R1.3 O=C1CCNCC1 SC-19352 [1,0,0,1,0,0|2,0,0]=4 416 B7R1.3 O=C1CCOCC1 SC-03251 [1,0,0,1,0,0|2,0,0]=4 417 B7R1.3 O=C1CCSCC1 SC-19697 [1,0,0,1,0,0|2,0,0]=4 418 B7R1.3 O=C1CNCCO1 SC-84883 [1,0,0,1,0,0|1,0,1]=4 419 B7R1.3 O=C1COCCN1 SC-24222 [1,0,0,1,0,0|1,0,1]=4 420 B7R1.10 N#CC1CC(=O)C1 SC-66164 [1,0,0,1,0,0|1,0,1]=4 421 B7R1.10 O=C1CC(CBr)C1 SC-B8597 [1,0,0,1,0,0|1,0,1]=4 422 B7R1.10 O=C1CC(CO)C1 SC-86648 [1,0,0,1,0,0|0,0,1]=3 423 B7R1.12 CC1CC1C(=O)Cl SC-60998 [1,0,0,1,0,0|1,0,1]=4 424 B7R1.12 CC1CC1C(=O)O SC-71058 [1,0,0,1,0,0|0,0,1]=3 425 B7R1.12 O=C(O)C1CC1F SC-85228 [1,0,0,1,0,0|1,0,1]=4 426 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-83847 [1,0,0,1,0,0|1,0,1]=4 427 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-A4679 [1,0,0,1,0,0|1,0,1]=4 428 B7R1.12 O=C(O)[C@H]1C[C@H]1F SC-72913 [1,0,0,1,0,0|1,0,1]=4 429 B7R1.18 CC(=O)C1CCC1 SC-74316 [1,0,0,1,0,0|1,0,1]=4 430 B7R1.18 O=C(Cl)C1CCC1 SC-46657 [1,0,0,1,0,0|1,0,1]=4 431 B7R1.18 O=C(O)C1CCC1 SC-17776 [1,0,0,1,0,0|0,0,1]=3 432 B7R1.18 O=C(O)C1CCN1 SC-53260 [1,0,0,1,0,0|1,0,1]=4 433 B7R1.18 O=C(O)C1CCO1 SC-22549 [1,0,0,1,0,0|0,0,2]=4 434 B7R1.18 O=C(O)C1COC1 SC-48326 [1,0,0,1,0,0|1,0,0]=3 435 B7R1.18 O=C(O)[C@H]1CCN1 SC-24616 [1,0,0,1,0,0|1,0,1]=4 436 B7R1.20 CC(=O)CC1CC1 SC-21396 [1,0,0,1,0,0|1,0,1]=4 437 B7R1.20 O=C(O)CC1CC1 SC-13938 [1,0,0,1,0,0|0,0,1]=3 438 B9R1.35 CC(=O)N1CCC(O)C1 SC-00079 [0,0,0,1,0,1|1,0,1]=4 439 B9R1.35 CC(=O)N1CC[C@@H](O)C1 SC-53670 [0,0,0,1,0,1|1,0,1]=4 440 B9R1.35 CN1CCC(C(=O)O)C1 SC-71513 [0,0,0,1,0,1|2,0,0]=4 441 B9R1.35 NC1=NC(C(=O)O)CS1 SC-62540 [0,0,0,1,0,1|2,0,0]=4 442 B9R1.35 NC1=NC(C(=O)O)CS1 SC-88521 [0,0,0,1,0,1|2,0,0]=4 443 B9R1.35 NC1CCC(C(=O)O)C1 SC-62151 [0,0,0,1,0,1|1,0,1]=4 444 B9R1.35 NC1COC(C(=O)O)C1 SC-97560 [0,0,0,1,0,1|1,0,1]=4 445 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SC-82495 [0,0,0,1,0,1|1,0,1]=4 446 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SC-93696 [0,0,0,1,0,1|1,0,1]=4 447 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SC-93674 [0,0,0,1,0,1|1,0,1]=4 448 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SC-52614 [0,0,0,1,0,1|1,0,1]=4 449 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SC-69232 [0,0,0,1,0,1|1,0,1]=4 450 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 SC-24076 [0,0,0,1,0,1|1,0,1]=4 451 B9R1.35 O=C(O)C1CC(O)CN1 SC-03594 [0,0,0,1,0,1|0,0,2]=4 452 B9R1.35 O=C(O)C1CC(O)CN1 SC-09594 [0,0,0,1,0,1|0,0,2]=4 453 B9R1.35 O=C(O)C1CC(O)CN1 SC-29014 [0,0,0,1,0,1|0,0,2]=4 454 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 SC-89720 [0,0,0,1,0,1|1,0,1]=4 455 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 SC-52573 [0,0,0,1,0,1|0,0,2]=4 456 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CO1 SC-66730 [0,0,0,1,0,1|0,0,2]=4 457 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 SC-48116 [0,0,0,1,0,1|0,0,2]=4 458 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SC-48740 [0,0,0,1,0,1|0,0,2]=4 459 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SC-52422 [0,0,0,1,0,1|0,0,2]=4 460 B9R1.35 O=C1CCC(C(=O)O)C1 SC-28724 [0,0,0,1,0,1|0,0,0]=2 461 B9R1.35 O=C1CCC(C(=O)O)N1 SC-01249 [0,0,0,1,0,1|1,0,0]=3 462 B9R1.35 O=C1CCC(C(=O)O)O1 SC-93768 [0,0,0,1,0,1|1,0,0]=3 463 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 SC-07520 [0,0,0,1,0,1|1,0,0]=3 464 B9R1.35 O=C1CN[C@H](C(=O)O)C1 SC-22199 [0,0,0,1,0,1|0,0,0]=2 465 B9R1.35 O=C1CN[C@H](C(=O)O)C1 SC-52091 [0,0,0,1,0,1|0,0,0]=2 466 B9R1.35 O=C1C[C@@H](C(=O)O)CN1 SC-51331 [0,0,0,1,0,1|0,0,0]=2 467 B9R1.35 [C@@H]1(C(=O)O)CCC(=O)O1 SC-47439 [0,0,0,1,0,1|1,0,0]=3 468 B9R1.35 [C@H]1(C(=O)O)CCC(=O)N1 SC-04305 [0,0,0,1,0,1|1,0,0]=3 469 B9R1.35 [C@H]1(C(=O)O)CCC(=O)O1 SC-08888 [0,0,0,1,0,1|1,0,0]=3 470 B9R1.53 CC(=O)OC1CC(=O)N1 SC-20312 [0,0,0,1,0,1|1,0,0]=3 471 B9R1.1 COC1CCC(=O)CC1 SC-51182 [0,1,0,1,0,0|1,0,1]=4 472 B9R1.1 COC1CCC(=O)CO1 SC-67569 [0,1,0,1,0,0|0,0,2]=4 473 B9R1.1 O=C1CCC(CO)CC1 SC-66212 [0,1,0,1,0,0|1,0,1]=4 474 B9R1.1 O=CC1CCC(=O)CC1 SC-94874 [0,1,0,1,0,0|1,0,1]=4 475 B9R1.10 O=C1CCS(=O)(=O)CC1 SC-24237 [0,1,0,1,0,0|1,0,1]=4 476 B9R1.55 C=C1CC(C(=O)O)C1N SC-29613 [0,1,0,1,0,0|1,0,0]=3 477 B9R1.69 CN1CCC(=O)CC1=O SC-A3321 [0,1,0,1,0,0|2,0,0]=4 478 B9R1.82 C=C1CC(C(=O)OC)C1 SC-48884 [0,1,0,1,0,0|1,0,0]=3 479 B9R1.82 COC(=O)C1CC(=O)C1 SC-21555 [0,1,0,1,0,0|0,0,0]=2 480 B9R1.82 COC(=O)C1CC(Br)C1 SC-B7444 [0,1,0,1,0,0|1,0,1]=4 481 B9R1.82 COC(=O)C1CC(Cl)C1 SC-B8557 [0,1,0,1,0,0|1,0,1]=4 482 B9R1.82 COC(=O)C1CC(O)C1 SC-53013 [0,1,0,1,0,0|0,0,2]=4 483 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 SC-99994 [0,1,0,1,0,0|0,0,2]=4 484 B9R1.84 O=C(O)CCC1CCC1 SC-30968 [0,1,0,1,0,0|1,0,1]=4 485 B9R1.95 COC1CC(C(=O)O)C1 SC-21516 [0,1,0,1,0,0|0,0,2]=4 486 B9R1.112 NC(CC1CC1)C(=O)O SC-60891 [0,1,0,1,0,0|1,0,1]=4 487 B9R1.112 NC(CC1CC1)C(=O)O SC-A4366 [0,1,0,1,0,0|1,0,1]=4 488 B9R1.112 N[C@@H](CC1CC1)C(=O)O SC-20866 [0,1,0,1,0,0|1,0,1]=4 489 B9R1.137 NC(CC(=O)O)C1CC1 SC-89968 [0,1,0,1,0,0|1,0,1]=4 490 B9R1.164 O=C(O)C1CC(F)(F)C1 SC-14449 [0,1,0,1,0,0|1,0,1]=4 491 B5R0.5 C=C(C)C(N)=O SC-74591 [0,0,0,0,2,0|2,0,0]=4 492 B5R0.5 C=C(F)C(=O)O SC-47473 [0,0,0,0,2,0|1,0,1]=4 493 B5R0.5 CC(=O)C(=O)[O-] SC-26010 [0,0,0,0,2,0|0,0,1]=3 494 B5R0.5 CC(F)C(=O)O SC-83429 [0,0,0,0,2,0|1,0,1]=4 495 B5R0.5 CC(N)C(=O)O SC-09271 [0,0,0,0,2,0|1,0,1]=4 496 B5R0.5 CC(O)C(=O)O SC-20005 [0,0,0,0,2,0|0,0,2]=4 497 B5R0.5 C[C@@H](Br)C(=O)O SC-08843 [0,0,0,0,2,0|1,0,1]=4 498 B5R0.5 C[C@@H](Cl)C(=O)O SC-06610 [0,0,0,0,2,0|1,0,1]=4 499 B5R0.5 C[C@H](Cl)C(=O)O SC-03218 [0,0,0,0,2,0|1,0,1]=4 500 B5R0.5 NC(=O)C(=O)[O-] SC-52623 [0,0,0,0,2,0|1,0,1]=4 501 B5R0.5 O=C(O)C(=O)O SC-52693 [0,0,0,0,2,0|1,0,0]=3 502 B5R0.5 O=C(O)C(=O)O SC-80488 [0,0,0,0,2,0|1,0,0]=3 503 B5R0.5 O=C(O)C(=O)O SC-88459 [0,0,0,0,2,0|1,0,0]=3 504 B5R0.5 O=C(O)C(=O)O SC-96241 [0,0,0,0,2,0|1,0,0]=3 505 B5R0.5 O=C([O-])C(=O)[O-] SC-18446 [0,0,0,0,2,0|1,0,1]=4 506 B5R0.5 O=C([O-])C(=O)[O-] SC-20134 [0,0,0,0,2,0|1,0,1]=4 507 B5R0.5 O=C([O-])C(=O)[O-] SC-74359 [0,0,0,0,2,0|1,0,1]=4 508 B5R0.5 O=C([O-])C(=O)[O-] SC-A2542 [0,0,0,0,2,0|1,0,1]=4 509 B9R0.55 CC(=O)NCCCC(=O)O SC-46117 [0,0,0,0,0,2|0,0,0]=2 510 B9R0.55 CC(C)CCCCC(=O)O SC-47475 [0,0,0,0,0,2|1,0,1]=4 511 B9R0.55 CN(C)CCNCC(=O)O SC-48750 [0,0,0,0,0,2|2,0,0]=4 512 B9R0.55 O=C(Cl)CCCCC(=O)Cl SC-78887 [0,0,0,0,0,2|2,0,0]=4 513 B9R0.55 O=C(O)\C=C\CCC(=O)O SC-66378 [0,0,0,0,0,2|1,0,0]=3