0 B7R0.6 CC(=O)\C=C\C(=O)O SC-94119 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.6 CC(=O)\C=C\N(C)C SC-92543 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.6 NC(=O)\N=N\C(N)=O SC-80021 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.6 O=C(O)C#CC(=O)O SC-18919 [0,0,0,0,0,0|0,0,2]=2 5 B7R0.6 O=C(O)CCC(=O)O SC-47173 [0,0,0,0,0,0|0,0,2]=2 6 B6R0.4 C=CCCC(=O)O SC-25836 [1,0,0,0,0,0|1,0,2]=4 7 B6R0.4 C=CNCC(=O)O SC-20808 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.4 CC\C=C\C(=O)O SC-92876 [1,0,0,0,0,0|1,0,1]=3 9 B6R0.4 CO\C=C\C(C)=O SC-71024 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.4 O=C(O)C#CCO SC-89192 [1,0,0,0,0,0|0,0,3]=4 11 B6R0.4 O=C(O)\C=C\CBr SC-53654 [1,0,0,0,0,0|1,0,1]=3 12 B8R0.9 CCC(=O)CCC(=O)O SC-58454 [0,1,0,0,0,0|1,0,2]=4 13 B8R0.9 COC(=O)CCC(=O)Cl SC-13608 [0,1,0,0,0,0|1,0,2]=4 14 B8R0.9 COC(=O)CCC(C)=O SC-74448 [0,1,0,0,0,0|1,0,2]=4 15 B8R0.9 COC(=O)NCC(=O)O SC-01599 [0,1,0,0,0,0|1,0,1]=3 16 B8R0.9 COC(=O)\C=C\C(=O)[O-] SC-65689 [0,1,0,0,0,0|0,0,1]=2 17 B8R0.9 NCC(=O)CCC(=O)O SC-15622 [0,1,0,0,0,0|1,0,2]=4 18 B8R0.9 NCC(=O)CCC(=O)O SC-18502 [0,1,0,0,0,0|1,0,2]=4 19 B8R0.23 C=C(CC(=O)O)C(=O)O SC-75279 [0,1,0,0,0,0|0,0,1]=2 20 B8R0.23 C=C(NC(C)=O)C(=O)O SC-48847 [0,1,0,0,0,0|2,0,0]=3 21 B8R0.23 CC(=O)C(C)CC(=O)O SC-21504 [0,1,0,0,0,0|1,0,2]=4 22 B8R0.23 CC(CC(=O)O)C(=O)O SC-51763 [0,1,0,0,0,0|0,0,2]=3 23 B8R0.23 C[C@@H](CC(=O)O)C(=O)O SC-08886 [0,1,0,0,0,0|0,0,2]=3 24 B8R0.23 C[C@H](CC(=O)O)C(=O)O SC-08885 [0,1,0,0,0,0|0,0,2]=3 25 B8R0.23 NC(=O)C[C@@H](N)C(=O)O SC-09347 [0,1,0,0,0,0|1,0,2]=4 26 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-09348 [0,1,0,0,0,0|1,0,2]=4 27 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-09349 [0,1,0,0,0,0|1,0,2]=4 28 B8R0.23 N[C@H](CC(=O)O)C(=O)O SC-01867 [0,1,0,0,0,0|0,0,2]=3 29 B8R0.23 O=C(O)C[C@@H](O)C(=O)O SC-05990 [0,1,0,0,0,0|0,0,2]=3 30 B8R1.3 CC1=CC=C(O)N=N1 SC-21006 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.3 CC1=CN=C(O)C=C1 SC-13580 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.3 CC1=CN=C(O)C=C1 SC-90448 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.3 CC1=NC=C(O)C=C1 SC-00370 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.3 O=C1C=CC(Br)=NN1 SC-89401 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.3 O=C1C=CC(Cl)=NN1 SC-04477 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.3 O=C1C=CC(I)=CN1 SC-96951 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.3 O=C1COC(=O)CN1 SC-96522 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.3 O=C1COC(=O)CO1 SC-86894 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.3 OC1=CC=C(Br)N=C1 SC-28319 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.3 OC1=CC=C(F)C=C1 SC-03932 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.3 OC1=CC=C(I)C=C1 SC-05193 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.3 OC1=CN=C(Br)C=C1 SC-48530 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.3 OC1=CN=C(Cl)C=C1 SC-04365 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.3 OC1=CN=C(F)C=C1 SC-66244 [0,0,0,1,0,0|3,0,0]=4 45 B8R1.3 OC1=CN=C(O)C=C1 SC-49842 [0,0,0,1,0,0|2,0,0]=3 46 B8R1.3 OC1=NC=C(Br)C=C1 SC-00864 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.3 OC1=NC=C(Cl)C=C1 SC-70388 [0,0,0,1,0,0|3,0,0]=4 48 B8R1.3 OC1=NC=C(F)C=C1 SC-65932 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.23 O=C1CC(C(=O)O)C1 SC-14962 [0,0,0,1,0,0|1,0,2]=4 50 B6R0.2 CC(=O)CC(C)=O SC-77723 [0,0,0,0,1,0|2,0,1]=4 51 B6R0.2 CC(=O)\C=C(\C)N SC-89382 [0,0,0,0,1,0|3,0,0]=4 52 B6R0.2 CC(=O)\C=C(\C)O SC-20333 [0,0,0,0,1,0|2,0,0]=3 53 B6R0.2 CC(=O)\C=C(\C)O SC-67757 [0,0,0,0,1,0|2,0,0]=3 54 B6R0.2 CC(=O)\C=C(\C)[O-] SC-19412 [0,0,0,0,1,0|2,0,1]=4 55 B6R0.2 CC(C)=CC(=O)Cl SC-17934 [0,0,0,0,1,0|3,0,0]=4 56 B6R0.2 CC(C)=CC(=O)O SC-16257 [0,0,0,0,1,0|2,0,0]=3 57 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [0,0,0,0,1,0|1,0,2]=4 58 B6R0.2 O=C(Cl)CC(=O)Cl SC-98168 [0,0,0,0,1,0|2,0,1]=4 59 B6R0.2 O=C([O-])CC(=O)[O-] SC-94719 [0,0,0,0,1,0|0,0,3]=4 60 B8R0.28 CC(C)C\C=C\C(=O)O SC-96534 [0,0,0,0,0,1|2,0,1]=4 61 B8R0.28 CN(C)C\C=C\C(=O)O SC-20214 [0,0,0,0,0,1|3,0,0]=4 62 B8R0.28 CN(C)C\C=C\C(=O)O SC-82699 [0,0,0,0,0,1|3,0,0]=4 63 B8R0.28 O=C(O)CNCC(=O)O SC-79871 [0,0,0,0,0,1|0,0,2]=3 64 B8R0.28 O=C(O)COCC(=O)O SC-93218 [0,0,0,0,0,1|0,0,2]=3 65 B8R0.28 O=C(O)\C=C\CC(=O)O SC-37894 [0,0,0,0,0,1|0,0,0]=1 66 B5R0.1 C=CCC(=O)O SC-49093 [2,0,0,0,0,0|0,0,1]=3 67 B5R0.1 C=COC(C)=O SC-79059 [2,0,0,0,0,0|2,0,0]=4 68 B5R0.1 CC(=O)\C=N/O SC-89466 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.1 CC(=O)\C=N\O SC-68143 [2,0,0,0,0,0|2,0,0]=4 70 B5R0.1 CC(C)=CC=O SC-00290 [2,0,0,0,0,0|2,0,0]=4 71 B5R0.1 C\C=C/C(=O)O SC-25924 [2,0,0,0,0,0|0,0,1]=3 72 B5R0.1 C\C=C/C(C)=O SC-48085 [2,0,0,0,0,0|1,0,1]=4 73 B5R0.1 C\C=C\C(=O)Cl SC-16256 [2,0,0,0,0,0|1,0,1]=4 74 B5R0.2 O=CCCC=O SC-13455 [2,0,0,0,0,0|0,0,2]=4 75 B5R0.2 OC\C=C/CO SC-27134 [2,0,0,0,0,0|0,0,2]=4 76 B5R0.2 OC\C=C\CO SC-82263 [2,0,0,0,0,0|0,0,2]=4 77 B7R0.3 COC(=O)CCC=O SC-47529 [1,1,0,0,0,0|0,0,2]=4 78 B7R0.3 COC(=O)\C=C\CBr SC-17676 [1,1,0,0,0,0|1,0,1]=4 79 B7R0.3 COC(=O)\C=C\CBr SC-49570 [1,1,0,0,0,0|1,0,1]=4 80 B7R0.3 CO\C=C\C(=O)OC SC-90792 [1,1,0,0,0,0|2,0,0]=4 81 B7R0.4 CCO\C=C\C(=O)O SC-89061 [1,1,0,0,0,0|1,0,1]=4 82 B7R0.4 C\C=C\CCC(=O)O SC-21245 [1,1,0,0,0,0|1,0,1]=4 83 B7R0.16 CC(C(=O)O)C(=O)O SC-16059 [0,1,0,0,1,0|0,0,1]=3 84 B7R0.16 NC(C(=O)O)C(=O)O SC-10105 [0,1,0,0,1,0|0,0,1]=3 85 B7R0.16 O=C(O)C(O)C(=O)O SC-70695 [0,1,0,0,1,0|0,0,1]=3 86 B9R0.1 COC(=O)CCCC(=O)O SC-85837 [0,1,0,0,0,1|0,0,2]=4 87 B9R0.7 NC(CCC(=O)O)C(=O)O SC-05406 [0,1,0,0,0,1|0,0,2]=4 88 B9R0.7 NC(CCC(=O)O)C(=O)O SC-27100 [0,1,0,0,0,1|0,0,2]=4 89 B9R0.7 N[C@H](CCC(=O)O)C(=O)O SC-09473 [0,1,0,0,0,1|0,0,2]=4 90 B9R0.53 CC(CC(=O)O)CC(=O)O SC-15126 [0,1,0,0,0,1|0,0,2]=4 91 B9R0.53 CN(CC(=O)O)CC(=O)O SC-04506 [0,1,0,0,0,1|0,0,2]=4 92 B9R0.53 O=C(O)CC(=O)CC(=O)O SC-16413 [0,1,0,0,0,1|0,0,1]=3 93 B9R0.23 C=C(CC(=O)[O-])C(=O)OC SC-A2138 [0,2,0,0,0,0|0,0,2]=4 94 B9R0.23 C=C(NC(C)=O)C(=O)OC SC-81944 [0,2,0,0,0,0|2,0,0]=4 95 B9R0.23 COC(=O)[C@@H](N)CC(=O)O SC-24738 [0,2,0,0,0,0|0,0,2]=4 96 B9R0.24 COC(=O)C#CC(=O)OC SC-16424 [0,2,0,0,0,0|0,0,2]=4 97 B9R0.24 COC(=O)CCC(=O)OC SC-78937 [0,2,0,0,0,0|0,0,2]=4 98 B9R0.42 COC(=O)CC(C)C(=O)O SC-49578 [0,2,0,0,0,0|0,0,2]=4 99 B9R0.42 COC(=O)CC(N)C(=O)O SC-34732 [0,2,0,0,0,0|0,0,2]=4 100 B9R0.42 COC(=O)C[C@H](N)C(=O)O SC-09414 [0,2,0,0,0,0|0,0,2]=4 101 B9R0.42 COC(=O)C[C@H](N)C(=O)O SC-49628 [0,2,0,0,0,0|0,0,2]=4 102 B9R0.48 CCOC(=O)CCC(=O)O SC-48671 [0,2,0,0,0,0|0,0,2]=4 103 B9R0.48 CCOC(=O)\C=C\C(=O)O SC-17455 [0,2,0,0,0,0|0,0,0]=2 104 B9R0.11 CC(C)(CC(=O)O)C(=O)O SC-26972 [0,2,0,0,0,0|0,0,2]=4 105 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O SC-10302 [0,2,0,0,0,0|0,0,2]=4 106 B9R0.79 O=C(O)C(S)C(S)C(=O)O SC-16640 [0,2,0,0,0,0|0,0,2]=4 107 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O SC-08892 [0,2,0,0,0,0|0,0,2]=4 108 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O SC-44061 [0,2,0,0,0,0|0,0,2]=4 109 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O SC-08893 [0,2,0,0,0,0|0,0,2]=4 110 B7R1.2 BrC1=CC=C(Br)O1 SC-48308 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.2 CC1=CC=C(Br)O1 SC-66940 [1,0,0,1,0,0|2,0,0]=4 112 B7R1.2 O=C1C=CC(=O)N1 SC-15117 [1,0,0,1,0,0|1,0,0]=3 113 B7R1.2 O=C1CNC(=O)O1 SC-21301 [1,0,0,1,0,0|1,0,1]=4 114 B7R1.3 O=C1C=CC=NN1 SC-04871 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.3 O=C1C=CCCO1 SC-50374 [1,0,0,1,0,0|1,0,1]=4 116 B7R1.3 OC1=CC=CN=C1 SC-00314 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.3 OC1=NC=CC=C1 SC-01052 [1,0,0,1,0,0|2,0,0]=4 118 B7R1.3 OC1=NC=CC=C1 SC-81688 [1,0,0,1,0,0|2,0,0]=4 119 B9R1.35 CC1=CC=C(C(=O)O)N1 SC-94836 [0,0,0,1,0,1|2,0,0]=4 120 B9R1.35 CC1=CC=C(C(=O)O)O1 SC-20513 [0,0,0,1,0,1|1,0,0]=3 121 B9R1.35 CC1=CNC(C(=O)O)=C1 SC-36204 [0,0,0,1,0,1|2,0,0]=4 122 B9R1.35 CC1=CSC(C(=O)O)=C1 SC-01072 [0,0,0,1,0,1|2,0,0]=4 123 B9R1.35 CC1=NC(C(=O)O)=CN1 SC-48423 [0,0,0,1,0,1|2,0,0]=4 124 B9R1.35 CC1=NC(C(=O)O)=CO1 SC-30359 [0,0,0,1,0,1|2,0,0]=4 125 B9R1.35 CC1=NC(C(=O)O)=CO1 SC-66016 [0,0,0,1,0,1|2,0,0]=4 126 B9R1.35 CC1=NC(C(=O)O)=CS1 SC-27449 [0,0,0,1,0,1|2,0,0]=4 127 B9R1.35 CC1=NC=C(C(=O)O)O1 SC-43630 [0,0,0,1,0,1|1,0,0]=3 128 B9R1.35 CC1=NC=C(C(=O)O)S1 SC-31817 [0,0,0,1,0,1|1,1,0]=4 129 B9R1.35 CC1=NN=C(C(=O)O)O1 SC-52810 [0,0,0,1,0,1|2,0,0]=4 130 B9R1.35 NC1=NC(C(=O)O)=CS1 SC-04285 [0,0,0,1,0,1|2,0,0]=4 131 B9R1.35 NC1=NC=C(C(=O)O)S1 SC-27087 [0,0,0,1,0,1|1,1,0]=4 132 B9R1.35 O=C(O)C1=CC(Br)=CN1 SC-96016 [0,0,0,1,0,1|2,0,0]=4 133 B9R1.35 O=C(O)C1=CC(Br)=CO1 SC-99965 [0,0,0,1,0,1|2,0,0]=4 134 B9R1.35 O=C(O)C1=CC(Br)=CS1 SC-35072 [0,0,0,1,0,1|2,0,0]=4 135 B9R1.35 O=C(O)C1=CC(F)=CS1 SC-85791 [0,0,0,1,0,1|2,0,0]=4 136 B9R1.35 O=C(O)C1=CC(O)=CS1 SC-43700 [0,0,0,1,0,1|1,0,0]=3 137 B9R1.35 O=C(O)C1=CC=C(Br)O1 SC-17440 [0,0,0,1,0,1|1,0,0]=3 138 B9R1.35 O=C(O)C1=CC=C(Br)S1 SC-06548 [0,0,0,1,0,1|1,1,0]=4 139 B9R1.35 O=C(O)C1=CC=C(Cl)O1 SC-53519 [0,0,0,1,0,1|1,0,0]=3 140 B9R1.35 O=C(O)C1=CC=C(Cl)S1 SC-02789 [0,0,0,1,0,1|1,1,0]=4 141 B9R1.35 O=C(O)C1=CC=C(F)S1 SC-52616 [0,0,0,1,0,1|1,1,0]=4 142 B9R1.35 O=C(O)C1=CN=C(Br)S1 SC-53530 [0,0,0,1,0,1|1,1,0]=4 143 B9R1.35 O=C(O)C1=COC(Cl)=N1 SC-86809 [0,0,0,1,0,1|2,0,0]=4 144 B9R1.35 O=C(O)C1=CSC(Br)=C1 SC-70221 [0,0,0,1,0,1|2,0,0]=4 145 B9R1.35 O=C(O)C1=CSC(Br)=N1 SC-21881 [0,0,0,1,0,1|2,0,0]=4 146 B9R1.35 O=C(O)C1=NC(Br)=CS1 SC-43950 [0,0,0,1,0,1|2,0,0]=4 147 B9R1.35 O=C(O)C1=NC=C(Br)S1 SC-43799 [0,0,0,1,0,1|1,1,0]=4 148 B9R1.35 O=C1CCC(C(=O)O)O1 SC-93768 [0,0,0,1,0,1|0,0,2]=4 149 B9R1.35 O=C1NC=C(C(=O)O)N1 SC-96089 [0,0,0,1,0,1|1,0,0]=3 150 B9R1.35 O=C1NCC(C(=O)O)O1 SC-99665 [0,0,0,1,0,1|0,0,2]=4 151 B9R1.35 [C@@H]1(C(=O)O)CCC(=O)O1 SC-47439 [0,0,0,1,0,1|0,0,2]=4 152 B9R1.35 [C@H]1(C(=O)O)CCC(=O)O1 SC-08888 [0,0,0,1,0,1|0,0,2]=4 153 B9R1.1 COC1=CC=C(O)C=C1 SC-01270 [0,1,0,1,0,0|2,0,0]=4 154 B9R1.1 COC1=NC=C(O)C=C1 SC-27444 [0,1,0,1,0,0|2,0,0]=4 155 B9R1.1 O=CC1=CN=C(O)C=C1 SC-66605 [0,1,0,1,0,0|2,0,0]=4 156 B9R1.1 O=CC1=NC=C(O)C=C1 SC-70429 [0,1,0,1,0,0|2,0,0]=4 157 B9R1.1 OCC1=CC=C(O)C=C1 SC-18384 [0,1,0,1,0,0|2,0,0]=4 158 B9R1.1 OCC1=CN=C(O)C=C1 SC-99961 [0,1,0,1,0,0|2,0,0]=4 159 B9R1.69 CC1=C(O)C=CC(O)=C1 SC-75118 [0,1,0,1,0,0|2,0,0]=4 160 B9R1.69 CC1=CC(=O)NNC1=O SC-03896 [0,1,0,1,0,0|2,0,0]=4 161 B9R1.69 CC1=CC=C(O)C=C1O SC-46957 [0,1,0,1,0,0|2,0,0]=4 162 B9R1.69 NC1=CC=C(O)C=C1O SC-44998 [0,1,0,1,0,0|2,0,0]=4 163 B9R1.69 NC1=CC=C(O)C=C1O SC-51479 [0,1,0,1,0,0|2,0,0]=4 164 B9R1.69 O=C1C=C(Br)C(=O)NN1 SC-B0220 [0,1,0,1,0,0|2,0,0]=4 165 B9R1.69 OC1=CC(O)=C(O)C=C1 SC-17701 [0,1,0,1,0,0|1,0,1]=4 166 B9R1.69 OC1=CC=C(Br)C(O)=C1 SC-16787 [0,1,0,1,0,0|2,0,0]=4 167 B9R1.69 OC1=CC=C(F)C(O)=C1 SC-14035 [0,1,0,1,0,0|2,0,0]=4 168 B9R1.69 OC1=CC=C(O)C(Br)=C1 SC-A3526 [0,1,0,1,0,0|2,0,0]=4 169 B9R1.69 OC1=CC=C(O)C(Cl)=C1 SC-81335 [0,1,0,1,0,0|2,0,0]=4 170 B9R1.69 OC1=CC=C(O)C(F)=C1 SC-96542 [0,1,0,1,0,0|2,0,0]=4 171 B5R0.5 C=C(F)C(=O)O SC-47473 [0,0,0,0,2,0|2,0,0]=4 172 B5R0.5 CC(=O)C(=O)O SC-17382 [0,0,0,0,2,0|1,0,0]=3 173 B5R0.5 CC(=O)C(=O)[O-] SC-17414 [0,0,0,0,2,0|1,0,1]=4 174 B5R0.5 NC(=O)C(=O)[O-] SC-52623 [0,0,0,0,2,0|1,0,1]=4 175 B5R0.5 O=C([O-])C(=O)[O-] SC-18408 [0,0,0,0,2,0|0,0,2]=4 176 B5R0.5 O=C([O-])C(=O)[O-] SC-20134 [0,0,0,0,2,0|0,0,2]=4 177 B5R0.5 O=C([O-])C(=O)[O-] SC-74359 [0,0,0,0,2,0|0,0,2]=4 178 B5R0.5 O=C([O-])C(=O)[O-] SC-A2542 [0,0,0,0,2,0|0,0,2]=4 179 B9R0.55 O=C(O)\C=C\CCC(=O)O SC-66378 [0,0,0,0,0,2|0,0,0]=2