0 B7R0.6 CC(=O)OCC(C)C SC-25600 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.6 CC(=O)\C=C\C(=O)O SC-94119 [0,0,0,0,0,0|0,0,2]=2 2 B7R0.6 CC(C)CCC(=O)O SC-57917 [0,0,0,0,0,0|1,0,1]=2 3 B7R0.6 CC(C)CC[N+](=O)[O-] SC-93989 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.6 CC(C)OCC(=O)O SC-88240 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.6 CC(Cl)CCC(=O)Cl SC-74180 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.6 CC(O)CCC(C)O SC-92842 [0,0,0,0,0,0|1,0,3]=4 7 B7R0.6 CN(C)CCC(=O)O SC-84721 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.6 CN(C)CCC(=O)O SC-98010 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.6 CN(C)CCC(N)=O SC-89196 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [0,0,0,0,0,0|1,0,2]=3 11 B7R0.6 C[C@H](O)CC[C@H](C)O SC-03635 [0,0,0,0,0,0|1,0,3]=4 12 B7R0.6 N=C(N)CCC(N)=O SC-97509 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.6 NC(=O)\N=N\C(N)=O SC-80021 [0,0,0,0,0,0|4,0,0]=4 14 B7R0.6 O=C(O)C#CC(=O)O SC-18919 [0,0,0,0,0,0|1,0,2]=3 15 B7R0.6 O=C(O)CCC(=O)O SC-47173 [0,0,0,0,0,0|1,0,0]=1 16 B6R0.4 C=CCCC(=O)O SC-25836 [1,0,0,0,0,0|0,0,1]=2 17 B6R0.4 C=CCOC(=O)Cl SC-18715 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.4 C=CNCC(=O)O SC-20808 [1,0,0,0,0,0|1,0,1]=3 19 B6R0.4 CC(=O)CCCBr SC-91341 [1,0,0,0,0,0|1,0,1]=3 20 B6R0.4 CC(=O)NCCN SC-19651 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.4 CCCCC(=O)Cl SC-46867 [1,0,0,0,0,0|1,0,1]=3 22 B6R0.4 CC\C=C\C(=O)O SC-92876 [1,0,0,0,0,0|0,0,3]=4 23 B6R0.4 CN(C)CCC=O SC-12823 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.4 CNCCC(=O)O SC-27492 [1,0,0,0,0,0|1,0,0]=2 25 B6R0.4 CNCCC(=O)O SC-52914 [1,0,0,0,0,0|1,0,0]=2 26 B6R0.4 COCCC(=O)O SC-50255 [1,0,0,0,0,0|1,0,0]=2 27 B6R0.4 CSCCC(=O)O SC-96567 [1,0,0,0,0,0|1,0,0]=2 28 B6R0.4 NCCCC(=O)O SC-10045 [1,0,0,0,0,0|1,0,1]=3 29 B6R0.4 O=C(Cl)CCCBr SC-70369 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.4 O=C(O)CCCCl SC-89723 [1,0,0,0,0,0|1,0,1]=3 31 B8R0.9 C=CC(N)CCC(=O)O SC-82297 [0,1,0,0,0,0|1,0,2]=4 32 B8R0.9 CC(=O)OCC(=O)CCl SC-53558 [0,1,0,0,0,0|2,0,0]=3 33 B8R0.9 CCC(=O)CCC(=O)O SC-58454 [0,1,0,0,0,0|0,0,0]=1 34 B8R0.9 COC(=O)CCC(=O)Cl SC-13608 [0,1,0,0,0,0|1,0,0]=2 35 B8R0.9 COC(=O)CCC(C)=O SC-74448 [0,1,0,0,0,0|0,0,0]=1 36 B8R0.9 COC(=O)CCS(=O)[O-] SC-49113 [0,1,0,0,0,0|1,0,1]=3 37 B8R0.9 COC(=O)NCC(=O)O SC-01599 [0,1,0,0,0,0|1,0,0]=2 38 B8R0.9 COC(=O)\C=C\C(=O)[O-] SC-65689 [0,1,0,0,0,0|0,0,3]=4 39 B8R0.9 NCC(=O)CCC(=O)O SC-15622 [0,1,0,0,0,0|0,0,0]=1 40 B8R0.9 NCC(=O)CCC(=O)O SC-18502 [0,1,0,0,0,0|0,0,0]=1 41 B8R0.23 C=C(Br)C[C@H](N)C(=O)O SC-A2609 [0,1,0,0,0,0|1,0,1]=3 42 B8R0.23 C=C(CC(=O)O)C(=O)O SC-75279 [0,1,0,0,0,0|1,0,1]=3 43 B8R0.23 C=C(NC(C)=O)C(=O)O SC-48847 [0,1,0,0,0,0|1,0,1]=3 44 B8R0.23 CC(=O)C(C)CC(=O)O SC-21504 [0,1,0,0,0,0|0,0,0]=1 45 B8R0.23 CC(=O)CC(O)[C@H](C)N SC-76554 [0,1,0,0,0,0|2,0,1]=4 46 B8R0.23 CC(C)CC(Br)C(=O)O SC-A4035 [0,1,0,0,0,0|1,0,1]=3 47 B8R0.23 CC(C)CC(N)C(=O)O SC-09638 [0,1,0,0,0,0|1,0,1]=3 48 B8R0.23 CC(C)CC(N)C(=O)O SC-09639 [0,1,0,0,0,0|1,0,1]=3 49 B8R0.23 CC(C)C[C@@H](N)C(=O)O SC-09637 [0,1,0,0,0,0|1,0,1]=3 50 B8R0.23 CC(C)C[C@@H](O)C(=O)O SC-13459 [0,1,0,0,0,0|1,0,1]=3 51 B8R0.23 CC(C)C[C@H](N)C(N)=O SC-09656 [0,1,0,0,0,0|2,0,1]=4 52 B8R0.23 CC(CC(=O)O)C(=O)O SC-51763 [0,1,0,0,0,0|1,0,0]=2 53 B8R0.23 CN(CC(=O)O)C(=N)N SC-46384 [0,1,0,0,0,0|3,0,0]=4 54 B8R0.23 C[C@@H](CC(=O)O)C(=O)O SC-08886 [0,1,0,0,0,0|1,0,0]=2 55 B8R0.23 C[C@H](CC(=O)O)C(=O)O SC-08885 [0,1,0,0,0,0|1,0,0]=2 56 B8R0.23 NC(=O)C[C@@H](N)C(=O)O SC-09347 [0,1,0,0,0,0|1,0,0]=2 57 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-09348 [0,1,0,0,0,0|1,0,0]=2 58 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-09349 [0,1,0,0,0,0|1,0,0]=2 59 B8R0.23 N[C@H](CC(=O)O)C(=O)O SC-01867 [0,1,0,0,0,0|1,0,0]=2 60 B8R0.23 O=C(O)C[C@@H](O)C(=O)O SC-05990 [0,1,0,0,0,0|1,0,0]=2 61 B8R0.29 CC(C)(C)NCC(=O)O SC-82899 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.29 CC(C)(C)OCC(=O)O SC-46034 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.29 O=C(O)CCC(F)(F)F SC-44467 [0,1,0,0,0,0|2,0,1]=4 64 B8R1.3 CC1=CCC(=O)CC1 SC-25236 [0,0,0,1,0,0|2,0,0]=3 65 B8R1.3 CC1=CCC(=O)CC1 SC-83877 [0,0,0,1,0,0|2,0,0]=3 66 B8R1.3 CC1=NNC(=O)CC1 SC-73679 [0,0,0,1,0,0|2,0,0]=3 67 B8R1.3 CN1CCC(=O)CC1 SC-01124 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.3 CN1CCC(=O)CC1 SC-90211 [0,0,0,1,0,0|3,0,0]=4 69 B8R1.3 NC1CCC(=O)CC1 SC-51421 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.3 NC1CCC(=O)CC1 SC-94303 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.3 N[C@H]1CCC(=O)NC1 SC-A3084 [0,0,0,1,0,0|2,0,1]=4 72 B8R1.3 O=C1CCC(=O)CC1 SC-15336 [0,0,0,1,0,0|1,0,0]=2 73 B8R1.3 O=C1CCC(=O)NC1 SC-35404 [0,0,0,1,0,0|1,0,0]=2 74 B8R1.3 O=C1CCC(O)CC1 SC-22101 [0,0,0,1,0,0|1,0,1]=3 75 B8R1.3 O=C1CCC(O)CN1 SC-14920 [0,0,0,1,0,0|1,0,2]=4 76 B8R1.3 O=C1COC(=O)CN1 SC-96522 [0,0,0,1,0,0|1,0,0]=2 77 B8R1.3 O=C1COC(=O)CO1 SC-86894 [0,0,0,1,0,0|1,0,0]=2 78 B8R1.23 C=C1CC(C(=O)O)C1 SC-20999 [0,0,0,1,0,0|1,0,0]=2 79 B8R1.23 CC1CC(C(=O)O)C1 SC-73078 [0,0,0,1,0,0|1,0,1]=3 80 B8R1.23 CN1CC(C(=O)O)C1 SC-49053 [0,0,0,1,0,0|2,0,0]=3 81 B8R1.23 O=C(O)C1CC(F)C1 SC-26589 [0,0,0,1,0,0|1,0,1]=3 82 B8R1.23 O=C1CC(C(=O)O)C1 SC-14962 [0,0,0,1,0,0|0,0,0]=1 83 B8R1.35 O=C(O)CCC1CC1 SC-31428 [0,0,0,1,0,0|1,0,1]=3 84 B8R1.51 CC1(C)CCC(=O)O1 SC-21203 [0,0,0,1,0,0|1,0,1]=3 85 B8R1.77 O=C(O)C1CC1(F)F SC-82822 [0,0,0,1,0,0|2,0,1]=4 86 B6R0.2 CC(=O)CC(C)=O SC-77723 [0,0,0,0,1,0|1,0,0]=2 87 B6R0.2 CC(=O)NC(=N)N SC-45115 [0,0,0,0,1,0|3,0,0]=4 88 B6R0.2 CC(=O)\C=C(\C)N SC-89382 [0,0,0,0,1,0|2,0,1]=4 89 B6R0.2 CC(=O)\C=C(\C)O SC-20333 [0,0,0,0,1,0|1,0,1]=3 90 B6R0.2 CC(=O)\C=C(\C)O SC-67757 [0,0,0,0,1,0|1,0,1]=3 91 B6R0.2 CC(=O)\C=C(\C)[O-] SC-19412 [0,0,0,0,1,0|1,0,2]=4 92 B6R0.2 CC(C)=CC(=O)Cl SC-17934 [0,0,0,0,1,0|2,0,1]=4 93 B6R0.2 CC(C)=CC(=O)O SC-16257 [0,0,0,0,1,0|1,0,1]=3 94 B6R0.2 CN(C)CC(N)=O SC-89197 [0,0,0,0,1,0|3,0,0]=4 95 B6R0.2 C[C@@H](N)CC(=O)O SC-10059 [0,0,0,0,1,0|1,0,1]=3 96 B6R0.2 C[C@@H](N)CC(=O)O SC-44142 [0,0,0,0,1,0|1,0,1]=3 97 B6R0.2 C[C@H](N)CC(=O)O SC-21979 [0,0,0,0,1,0|1,0,1]=3 98 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [0,0,0,0,1,0|0,0,2]=3 99 B6R0.2 C[S+](C)CC(=O)[O-] SC-72907 [0,0,0,0,1,0|2,0,1]=4 100 B6R0.2 O=C(Cl)CC(=O)Cl SC-98168 [0,0,0,0,1,0|2,0,0]=3 101 B6R0.2 O=C([O-])CC(=O)[O-] SC-94719 [0,0,0,0,1,0|1,0,1]=3 102 B8R0.28 CC(C)C\C=C\C(=O)O SC-96534 [0,0,0,0,0,1|1,0,2]=4 103 B8R0.28 CN(C)C\C=C\C(=O)O SC-20214 [0,0,0,0,0,1|2,0,1]=4 104 B8R0.28 CN(C)C\C=C\C(=O)O SC-82699 [0,0,0,0,0,1|2,0,1]=4 105 B8R0.28 O=C(O)CNCC(=O)O SC-79871 [0,0,0,0,0,1|1,0,0]=2 106 B8R0.28 O=C(O)COCC(=O)O SC-93218 [0,0,0,0,0,1|1,0,0]=2 107 B8R0.28 O=C(O)\C=C\CC(=O)O SC-37894 [0,0,0,0,0,1|1,0,1]=3 108 B5R0.1 C#CCC(=O)O SC-40344 [2,0,0,0,0,0|0,0,2]=4 109 B5R0.1 C=C(C)CCBr SC-26305 [2,0,0,0,0,0|2,0,0]=4 110 B5R0.1 C=CCC(=O)O SC-49093 [2,0,0,0,0,0|0,0,1]=3 111 B5R0.1 C=COC(C)=O SC-79059 [2,0,0,0,0,0|1,0,1]=4 112 B5R0.1 CC#CC(=O)O SC-76460 [2,0,0,0,0,0|0,0,2]=4 113 B5R0.1 CC(=O)CC#N SC-26510 [2,0,0,0,0,0|1,0,1]=4 114 B5R0.1 CC(=O)CCCl SC-21586 [2,0,0,0,0,0|1,0,0]=3 115 B5R0.1 CC(=O)CCO SC-65678 [2,0,0,0,0,0|0,0,0]=2 116 B5R0.1 CC(=O)OCBr SC-44237 [2,0,0,0,0,0|2,0,0]=4 117 B5R0.1 CC(=O)\C=N/O SC-89466 [2,0,0,0,0,0|1,0,1]=4 118 B5R0.1 CC(=O)\C=N\O SC-68143 [2,0,0,0,0,0|1,0,1]=4 119 B5R0.1 CC(C)=CC=O SC-00290 [2,0,0,0,0,0|1,0,1]=4 120 B5R0.1 CC(C)=CCO SC-77150 [2,0,0,0,0,0|1,0,1]=4 121 B5R0.1 CC(N)CCO SC-82589 [2,0,0,0,0,0|1,0,1]=4 122 B5R0.1 CCCB(O)O SC-47544 [2,0,0,0,0,0|1,0,1]=4 123 B5R0.1 CCCC(=N)N SC-19347 [2,0,0,0,0,0|2,0,0]=4 124 B5R0.1 CCCC(=O)Cl SC-18924 [2,0,0,0,0,0|1,0,0]=3 125 B5R0.1 CCCC(=O)[O-] SC-15718 [2,0,0,0,0,0|0,0,1]=3 126 B5R0.1 CCCC(C)O SC-03320 [2,0,0,0,0,0|1,0,1]=4 127 B5R0.1 CCCC(N)=O SC-46377 [2,0,0,0,0,0|1,0,0]=3 128 B5R0.1 CCOC(N)=O SC-16133 [2,0,0,0,0,0|2,0,0]=4 129 B5R0.1 CN(C)CC=O SC-51643 [2,0,0,0,0,0|2,0,0]=4 130 B5R0.1 CN(C)CCO SC-87330 [2,0,0,0,0,0|2,0,0]=4 131 B5R0.1 CNCC(=O)O SC-10425 [2,0,0,0,0,0|1,0,0]=3 132 B5R0.1 CNCC(N)=O SC-10429 [2,0,0,0,0,0|2,0,0]=4 133 B5R0.1 COCC(=O)Cl SC-27381 [2,0,0,0,0,0|2,0,0]=4 134 B5R0.1 CS(=O)CCN SC-89327 [2,0,0,0,0,0|2,0,0]=4 135 B5R0.1 C[C@@H](N)CCO SC-48293 [2,0,0,0,0,0|1,0,1]=4 136 B5R0.1 C[C@@H](O)CCO SC-05919 [2,0,0,0,0,0|0,0,2]=4 137 B5R0.1 C[C@H](O)CCO SC-02840 [2,0,0,0,0,0|0,0,2]=4 138 B5R0.1 C\C=C/C(=O)O SC-25924 [2,0,0,0,0,0|0,0,1]=3 139 B5R0.1 C\C=C/C(C)=O SC-48085 [2,0,0,0,0,0|1,0,1]=4 140 B5R0.1 C\C=C\C(=O)Cl SC-16256 [2,0,0,0,0,0|1,0,1]=4 141 B5R0.1 N#CCC(=O)O SC-18648 [2,0,0,0,0,0|1,0,1]=4 142 B5R0.1 NCCC(=O)O SC-10014 [2,0,0,0,0,0|1,0,0]=3 143 B5R0.1 NCCC(N)=O SC-48688 [2,0,0,0,0,0|2,0,0]=4 144 B5R0.1 NCCC(N)=O SC-84499 [2,0,0,0,0,0|2,0,0]=4 145 B5R0.1 O=C(Cl)CCCl SC-16310 [2,0,0,0,0,0|2,0,0]=4 146 B5R0.1 O=C(O)CCBr SC-18441 [2,0,0,0,0,0|1,0,0]=3 147 B5R0.1 O=C(O)CCS SC-22642 [2,0,0,0,0,0|0,1,0]=3 148 B5R0.2 C=CCCCO SC-78424 [2,0,0,0,0,0|0,0,2]=4 149 B5R0.2 CC#CCC=O SC-89818 [2,0,0,0,0,0|0,0,2]=4 150 B5R0.2 CNCCCO SC-94106 [2,0,0,0,0,0|1,0,1]=4 151 B5R0.2 COCCC=O SC-85357 [2,0,0,0,0,0|1,0,0]=3 152 B5R0.2 O=CCCC=O SC-13455 [2,0,0,0,0,0|0,0,0]=2 153 B5R0.2 O=CCCCBr SC-69595 [2,0,0,0,0,0|1,0,1]=4 154 B7R0.2 CCC(C)CC(=O)O SC-19132 [1,1,0,0,0,0|0,0,1]=3 155 B7R0.2 CCC(N)CC(=O)O SC-59260 [1,1,0,0,0,0|0,0,1]=3 156 B7R0.2 CCC(O)CC(C)=O SC-92943 [1,1,0,0,0,0|1,0,1]=4 157 B7R0.2 COC(=O)CC(=O)O SC-21351 [1,1,0,0,0,0|1,0,1]=4 158 B7R0.2 NCC(O)CC(=O)O SC-50844 [1,1,0,0,0,0|1,0,1]=4 159 B7R0.2 N[C@H](CO)CC(=O)O SC-72100 [1,1,0,0,0,0|0,0,2]=4 160 B7R0.3 C#CCCC(=O)OC SC-92252 [1,1,0,0,0,0|0,0,2]=4 161 B7R0.3 C=CCOC(=O)CCl SC-95960 [1,1,0,0,0,0|2,0,0]=4 162 B7R0.3 C=CCOC(=O)OC SC-82329 [1,1,0,0,0,0|1,0,1]=4 163 B7R0.3 CCCCC(=N)OC SC-91480 [1,1,0,0,0,0|1,0,1]=4 164 B7R0.3 COC(=O)CCC=O SC-47529 [1,1,0,0,0,0|0,0,0]=2 165 B7R0.3 COC(=O)CCCCl SC-15079 [1,1,0,0,0,0|1,0,1]=4 166 B7R0.3 COC(=O)CN=C=O SC-49023 [1,1,0,0,0,0|1,0,1]=4 167 B7R0.3 COCCC(=O)OC SC-46379 [1,1,0,0,0,0|1,0,0]=3 168 B7R0.3 [C-]#[N+]CCC(=O)OC SC-88998 [1,1,0,0,0,0|1,0,1]=4 169 B7R0.4 C#CCCCC(=O)O SC-73017 [1,1,0,0,0,0|0,0,2]=4 170 B7R0.4 C#CCNCC(=O)O SC-10418 [1,1,0,0,0,0|0,0,2]=4 171 B7R0.4 C#CCNCC(=O)O SC-10419 [1,1,0,0,0,0|0,0,2]=4 172 B7R0.4 C#CCNCC(=O)O SC-65650 [1,1,0,0,0,0|0,0,2]=4 173 B7R0.4 C=CCNCC(=O)O SC-74362 [1,1,0,0,0,0|0,0,1]=3 174 B7R0.4 C=CCOCC(=O)O SC-49027 [1,1,0,0,0,0|0,0,1]=3 175 B7R0.4 CCCC#CC(=O)O SC-96568 [1,1,0,0,0,0|0,0,2]=4 176 B7R0.4 CCCNCC(=O)O SC-97541 [1,1,0,0,0,0|0,0,1]=3 177 B7R0.4 CCCSCC(=O)O SC-45283 [1,1,0,0,0,0|0,0,1]=3 178 B7R0.4 CNCCCC(=O)O SC-49793 [1,1,0,0,0,0|0,0,1]=3 179 B7R0.4 CNCCCC(=O)O SC-A2900 [1,1,0,0,0,0|0,0,1]=3 180 B7R0.4 COCCCC(=O)O SC-51378 [1,1,0,0,0,0|0,0,1]=3 181 B7R0.4 COCCNC(N)=O SC-62189 [1,1,0,0,0,0|2,0,0]=4 182 B7R0.4 C\C=C\CCC(=O)O SC-21245 [1,1,0,0,0,0|0,0,0]=2 183 B7R0.4 NC(=O)CCCCBr SC-98143 [1,1,0,0,0,0|1,0,1]=4 184 B7R0.4 NCCCCC(=O)O SC-10120 [1,1,0,0,0,0|0,0,1]=3 185 B7R0.4 NCCCCC(=O)O SC-92391 [1,1,0,0,0,0|0,0,1]=3 186 B7R0.4 NCCCCC(N)=O SC-94858 [1,1,0,0,0,0|1,0,1]=4 187 B7R0.4 NCCCCC(N)=O SC-A4262 [1,1,0,0,0,0|1,0,1]=4 188 B7R0.4 NCCNCC(=O)O SC-21750 [1,1,0,0,0,0|1,0,1]=4 189 B7R0.4 O=C(Cl)CCCCBr SC-13447 [1,1,0,0,0,0|1,0,1]=4 190 B7R0.4 O=C(Cl)CCCCCl SC-16009 [1,1,0,0,0,0|1,0,1]=4 191 B7R0.4 O=C(O)CCCCBr SC-02338 [1,1,0,0,0,0|0,0,1]=3 192 B7R0.4 O=C([O-])COCCO SC-A2671 [1,1,0,0,0,0|1,0,1]=4 193 B7R0.5 C#CC[C@@H](N)C(=O)O SC-A2980 [1,1,0,0,0,0|0,0,2]=4 194 B7R0.5 C=CCC(N)C(=O)O SC-10030 [1,1,0,0,0,0|0,0,1]=3 195 B7R0.5 C=CCC(N)C(=O)O SC-10031 [1,1,0,0,0,0|0,0,1]=3 196 B7R0.5 C=CCC(N)C(=O)O SC-10032 [1,1,0,0,0,0|0,0,1]=3 197 B7R0.5 C=CC[C@@H](N)C(=O)O SC-25316 [1,1,0,0,0,0|0,0,1]=3 198 B7R0.5 C=CC[C@H](N)C(=O)O SC-14143 [1,1,0,0,0,0|0,0,1]=3 199 B7R0.5 CCCC(Br)C(=O)O SC-27020 [1,1,0,0,0,0|0,0,1]=3 200 B7R0.5 CCC[C@H](N)C(=O)O SC-06139 [1,1,0,0,0,0|0,0,1]=3 201 B7R0.5 COC[C@@H](N)C(=O)O SC-52821 [1,1,0,0,0,0|1,0,0]=3 202 B7R0.5 COC[C@H](N)C(=O)O SC-26107 [1,1,0,0,0,0|1,0,0]=3 203 B7R0.5 COC[C@H](N)C(=O)O SC-47929 [1,1,0,0,0,0|1,0,0]=3 204 B7R0.5 NC(CCO)C(=O)O SC-10290 [1,1,0,0,0,0|0,0,2]=4 205 B7R0.5 NCCC(N)C(=O)O SC-10146 [1,1,0,0,0,0|1,0,1]=4 206 B7R0.5 NCCC(N)C(=O)O SC-20723 [1,1,0,0,0,0|1,0,1]=4 207 B7R0.5 NCCC(N)C(=O)O SC-23452 [1,1,0,0,0,0|1,0,1]=4 208 B7R0.5 NCCC(N)C(=O)O SC-25055 [1,1,0,0,0,0|1,0,1]=4 209 B7R0.5 NCC[C@H](N)C(=O)O SC-10144 [1,1,0,0,0,0|1,0,1]=4 210 B7R0.5 N[C@@H](CCO)C(=O)O SC-10291 [1,1,0,0,0,0|0,0,2]=4 211 B7R0.5 N[C@H](CCO)C(=O)O SC-10292 [1,1,0,0,0,0|0,0,2]=4 212 B7R0.8 CNCCS(=O)(=O)O SC-99470 [1,1,0,0,0,0|2,0,0]=4 213 B7R0.8 CS(=O)(=O)CCCO SC-A4044 [1,1,0,0,0,0|1,0,1]=4 214 B7R0.9 CC(C)(N)CC(=O)O SC-43668 [0,1,0,0,1,0|1,0,1]=4 215 B7R0.9 CS(=O)(=O)CC(=O)O SC-23267 [0,1,0,0,1,0|1,0,0]=3 216 B7R0.16 CC(C(=O)O)C(=O)O SC-16059 [0,1,0,0,1,0|1,0,0]=3 217 B7R0.16 CC(C)C(Br)C(=O)O SC-26681 [0,1,0,0,1,0|1,0,1]=4 218 B7R0.16 CC(C)C(N)C(=O)O SC-09983 [0,1,0,0,1,0|1,0,1]=4 219 B7R0.16 CC(C)C(N)C(=O)O SC-09984 [0,1,0,0,1,0|1,0,1]=4 220 B7R0.16 CC(C)C(N)C(=O)O SC-09985 [0,1,0,0,1,0|1,0,1]=4 221 B7R0.16 CC(C)C(O)C(=O)O SC-A2103 [0,1,0,0,1,0|1,0,1]=4 222 B7R0.16 CC(C)[C@@H](O)C(=O)O SC-01716 [0,1,0,0,1,0|1,0,1]=4 223 B7R0.16 CC(O)C(N)C(=O)O SC-09869 [0,1,0,0,1,0|0,0,2]=4 224 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SC-09868 [0,1,0,0,1,0|0,0,2]=4 225 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SC-09866 [0,1,0,0,1,0|0,0,2]=4 226 B7R0.16 C[C@H](O)C(N)C(=O)O SC-46538 [0,1,0,0,1,0|0,0,2]=4 227 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SC-09865 [0,1,0,0,1,0|0,0,2]=4 228 B7R0.16 NC(=O)C(N)C(N)=O SC-47934 [0,1,0,0,1,0|2,0,0]=4 229 B7R0.16 NC(C(=O)O)C(=O)O SC-10105 [0,1,0,0,1,0|1,0,0]=3 230 B7R0.16 O=C(O)C(O)C(=O)O SC-70695 [0,1,0,0,1,0|1,0,0]=3 231 B9R0.1 C=CC(=O)OCCC(=O)O SC-65069 [0,1,0,0,0,1|0,0,1]=3 232 B9R0.1 COC(=O)CCCC(=O)O SC-85837 [0,1,0,0,0,1|0,0,0]=2 233 B9R0.1 COC(=O)CCC[N+](=O)[O-] SC-70223 [0,1,0,0,0,1|1,0,1]=4 234 B9R0.7 CC(=O)N(C)CCC(=O)O SC-21566 [0,1,0,0,0,1|0,0,0]=2 235 B9R0.7 CC(C)=CCC(N)C(=O)O SC-22867 [0,1,0,0,0,1|1,0,0]=3 236 B9R0.7 CC(C)CC[C@H](N)C(=O)O SC-93270 [0,1,0,0,0,1|1,0,1]=4 237 B9R0.7 CC(CCC(=O)Cl)C(=O)Cl SC-25336 [0,1,0,0,0,1|2,0,0]=4 238 B9R0.7 NC(=O)CCC(N)C(=O)O SC-09535 [0,1,0,0,0,1|1,0,0]=3 239 B9R0.7 NC(=O)SCC(N)C(=O)O SC-25048 [0,1,0,0,0,1|1,0,0]=3 240 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O SC-94352 [0,1,0,0,0,1|1,0,0]=3 241 B9R0.7 NC(CCC(=O)O)C(=O)O SC-05406 [0,1,0,0,0,1|1,0,0]=3 242 B9R0.7 NC(CCC(=O)O)C(=O)O SC-27100 [0,1,0,0,0,1|1,0,0]=3 243 B9R0.7 N[C@H](CCC(=O)O)C(=O)O SC-09473 [0,1,0,0,0,1|1,0,0]=3 244 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] SC-20382 [0,1,0,0,0,1|1,0,1]=4 245 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] SC-88740 [0,1,0,0,0,1|1,0,1]=4 246 B9R0.7 [C@@H](N)(CCC(N)=O)C(=O)O SC-05605 [0,1,0,0,0,1|1,0,0]=3 247 B9R0.53 CC(C)C[C@H](N)CC(=O)O SC-26176 [0,1,0,0,0,1|1,0,1]=4 248 B9R0.53 CC(CC(=O)O)CC(=O)O SC-15126 [0,1,0,0,0,1|1,0,0]=3 249 B9R0.53 CN(CC(=O)O)CC(=O)O SC-04506 [0,1,0,0,0,1|1,0,0]=3 250 B9R0.53 O=C(O)CC(=O)CC(=O)O SC-16413 [0,1,0,0,0,1|1,0,0]=3 251 B9R0.21 COC(=O)CCS(=O)(=O)Cl SC-48401 [0,2,0,0,0,0|1,0,1]=4 252 B9R0.23 C=C(CC(=O)[O-])C(=O)OC SC-A2138 [0,2,0,0,0,0|0,0,2]=4 253 B9R0.23 C=C(NC(C)=O)C(=O)OC SC-81944 [0,2,0,0,0,0|1,0,1]=4 254 B9R0.23 COC(=O)[C@@H](N)CC(=O)O SC-24738 [0,2,0,0,0,0|0,0,0]=2 255 B9R0.24 CCC(=O)CCC(=O)CC SC-89953 [0,2,0,0,0,0|1,0,0]=3 256 B9R0.24 COC(=O)C#CC(=O)OC SC-16424 [0,2,0,0,0,0|0,0,2]=4 257 B9R0.24 COC(=O)CCC(=O)CN SC-01776 [0,2,0,0,0,0|0,0,0]=2 258 B9R0.24 COC(=O)CCC(=O)OC SC-78937 [0,2,0,0,0,0|0,0,0]=2 259 B9R0.42 COC(=O)CC(C)C(=O)O SC-49578 [0,2,0,0,0,0|0,0,0]=2 260 B9R0.42 COC(=O)CC(N)C(=O)O SC-34732 [0,2,0,0,0,0|0,0,0]=2 261 B9R0.42 COC(=O)C[C@H](N)C(=O)O SC-09414 [0,2,0,0,0,0|0,0,0]=2 262 B9R0.42 COC(=O)C[C@H](N)C(=O)O SC-49628 [0,2,0,0,0,0|0,0,0]=2 263 B9R0.48 CCOC(=O)CCC(=O)Cl SC-17543 [0,2,0,0,0,0|1,0,0]=3 264 B9R0.48 CCOC(=O)CCC(=O)O SC-48671 [0,2,0,0,0,0|0,0,0]=2 265 B9R0.48 CCOC(=O)CCC(C)=O SC-25835 [0,2,0,0,0,0|0,0,0]=2 266 B9R0.48 CCOC(=O)CC[N+](=O)[O-] SC-91165 [0,2,0,0,0,0|1,0,1]=4 267 B9R0.48 CCOC(=O)\C=C\C(=O)O SC-17455 [0,2,0,0,0,0|0,0,2]=4 268 B9R0.11 CC(=O)OC(C)(C)C(=O)Br SC-17645 [0,2,0,0,0,0|2,0,0]=4 269 B9R0.11 CC(C)(CC(=O)O)C(=O)O SC-26972 [0,2,0,0,0,0|1,0,0]=3 270 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O SC-09436 [0,2,0,0,0,0|1,0,0]=3 271 B9R0.39 CC(=O)N[C@H](CS)C(=O)O SC-68544 [0,2,0,0,0,0|1,0,0]=3 272 B9R0.39 CN[C@@H](CC(C)C)C(=O)O SC-82208 [0,2,0,0,0,0|1,0,1]=4 273 B9R0.57 CC(C)(C)CC(N)C(=O)O SC-20148 [0,2,0,0,0,0|1,0,1]=4 274 B9R0.57 CC(C)(C)CC(N)C(=O)O SC-70362 [0,2,0,0,0,0|1,0,1]=4 275 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O SC-52818 [0,2,0,0,0,0|1,0,1]=4 276 B9R0.57 [C@H](N)(CS(=O)(=O)O)C(=O)O SC-09435 [0,2,0,0,0,0|2,0,0]=4 277 B9R0.79 CC(C)C(O)C(N)C(=O)O SC-48909 [0,2,0,0,0,0|1,0,1]=4 278 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O SC-A0972 [0,2,0,0,0,0|0,0,2]=4 279 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]=3 280 B9R0.79 O=C(O)C(S)C(S)C(=O)O SC-16640 [0,2,0,0,0,0|1,0,0]=3 281 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O SC-08892 [0,2,0,0,0,0|1,0,0]=3 282 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]=3 283 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]=3 284 B9R0.79 O=C([O-])C(O)C(O)C(=O)[O-] SC-74810 [0,2,0,0,0,0|1,0,1]=4 285 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]=4 286 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] SC-65603 [0,2,0,0,0,0|1,0,1]=4 287 B7R1.2 CC1=CC(=O)CC1 SC-18727 [1,0,0,1,0,0|1,0,0]=3 288 B7R1.2 CC1=CC(=O)OC1 SC-25541 [1,0,0,1,0,0|2,0,0]=4 289 B7R1.2 CC1CCC(=O)C1 SC-93748 [1,0,0,1,0,0|1,0,1]=4 290 B7R1.2 CC1COC(=O)O1 SC-65189 [1,0,0,1,0,0|1,0,1]=4 291 B7R1.2 C[C@H]1COC(=O)O1 SC-04943 [1,0,0,1,0,0|1,0,1]=4 292 B7R1.2 O=C1C=C(O)CO1 SC-21646 [1,0,0,1,0,0|1,0,1]=4 293 B7R1.2 O=C1CC(O)CN1 SC-29049 [1,0,0,1,0,0|1,0,1]=4 294 B7R1.2 O=C1CCC(=O)C1 SC-15331 [1,0,0,1,0,0|0,0,0]=2 295 B7R1.2 O=C1CCC(=O)N1 SC-26697 [1,0,0,1,0,0|1,0,0]=3 296 B7R1.2 O=C1CNC(=O)C1 SC-88883 [1,0,0,1,0,0|1,0,0]=3 297 B7R1.2 O=C1CNC(=O)O1 SC-21301 [1,0,0,1,0,0|1,0,0]=3 298 B7R1.2 O=C1COC(=O)C1 SC-86968 [1,0,0,1,0,0|1,0,0]=3 299 B7R1.2 O=C1COC(=O)N1 SC-49693 [1,0,0,1,0,0|2,0,0]=4 300 B7R1.2 O=C1CSC(=O)N1 SC-17499 [1,0,0,1,0,0|2,0,0]=4 301 B7R1.2 O=C1C[C@@H](O)CN1 SC-02616 [1,0,0,1,0,0|1,0,1]=4 302 B7R1.2 O=C1C[C@H](O)CN1 SC-13587 [1,0,0,1,0,0|1,0,1]=4 303 B7R1.2 O=C1C[C@H](O)CO1 SC-06559 [1,0,0,1,0,0|1,0,1]=4 304 B7R1.3 O=C1CCCCN1 SC-16274 [1,0,0,1,0,0|1,0,1]=4 305 B7R1.3 O=C1CCCCO1 SC-65111 [1,0,0,1,0,0|0,0,1]=3 306 B7R1.3 O=C1CCCNC1 SC-29391 [1,0,0,1,0,0|1,0,1]=4 307 B7R1.3 O=C1CCCNC1 SC-48015 [1,0,0,1,0,0|1,0,1]=4 308 B7R1.3 O=C1CCCOC1 SC-14944 [1,0,0,1,0,0|0,0,1]=3 309 B7R1.3 O=C1CCNCC1 SC-04236 [1,0,0,1,0,0|2,0,0]=4 310 B7R1.3 O=C1CCNCC1 SC-04379 [1,0,0,1,0,0|2,0,0]=4 311 B7R1.3 O=C1CCNCC1 SC-19352 [1,0,0,1,0,0|2,0,0]=4 312 B7R1.3 O=C1CCOCC1 SC-03251 [1,0,0,1,0,0|2,0,0]=4 313 B7R1.3 O=C1CCSCC1 SC-19697 [1,0,0,1,0,0|2,0,0]=4 314 B7R1.3 O=C1CNCCO1 SC-84883 [1,0,0,1,0,0|1,0,1]=4 315 B7R1.3 O=C1COCCN1 SC-24222 [1,0,0,1,0,0|1,0,1]=4 316 B7R1.10 O=C1CC(CO)C1 SC-86648 [1,0,0,1,0,0|0,0,1]=3 317 B7R1.12 O=C(O)C1CC1F SC-85228 [1,0,0,1,0,0|1,0,1]=4 318 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-83847 [1,0,0,1,0,0|1,0,1]=4 319 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-A4679 [1,0,0,1,0,0|1,0,1]=4 320 B7R1.12 O=C(O)[C@H]1C[C@H]1F SC-72913 [1,0,0,1,0,0|1,0,1]=4 321 B7R1.18 CC(=O)C1CCC1 SC-74316 [1,0,0,1,0,0|1,0,1]=4 322 B7R1.18 O=C(Cl)C1CCC1 SC-46657 [1,0,0,1,0,0|1,0,1]=4 323 B7R1.18 O=C(O)C1CCC1 SC-17776 [1,0,0,1,0,0|0,0,1]=3 324 B7R1.18 O=C(O)C1CCO1 SC-22549 [1,0,0,1,0,0|0,0,2]=4 325 B7R1.18 O=C(O)[C@H]1CCN1 SC-24616 [1,0,0,1,0,0|1,0,1]=4 326 B7R1.20 CC(=O)CC1CC1 SC-21396 [1,0,0,1,0,0|1,0,1]=4 327 B7R1.20 O=C(O)CC1CC1 SC-13938 [1,0,0,1,0,0|0,0,1]=3 328 B9R1.35 CC(=O)N1CCC(O)C1 SC-00079 [0,0,0,1,0,1|1,0,1]=4 329 B9R1.35 CN1CCC(C(=O)O)C1 SC-38317 [0,0,0,1,0,1|2,0,0]=4 330 B9R1.35 CN1CCC(C(=O)O)C1 SC-71513 [0,0,0,1,0,1|2,0,0]=4 331 B9R1.35 NC1=NC(C(=O)O)CS1 SC-62540 [0,0,0,1,0,1|2,0,0]=4 332 B9R1.35 NC1CCC(C(=O)O)C1 SC-62151 [0,0,0,1,0,1|1,0,1]=4 333 B9R1.35 NC1COC(C(=O)O)C1 SC-97560 [0,0,0,1,0,1|1,0,1]=4 334 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SC-82495 [0,0,0,1,0,1|1,0,1]=4 335 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SC-93696 [0,0,0,1,0,1|1,0,1]=4 336 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SC-48064 [0,0,0,1,0,1|1,0,1]=4 337 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SC-93674 [0,0,0,1,0,1|1,0,1]=4 338 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SC-52614 [0,0,0,1,0,1|1,0,1]=4 339 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SC-69232 [0,0,0,1,0,1|1,0,1]=4 340 B9R1.35 O=C(O)C1CC(O)CN1 SC-03594 [0,0,0,1,0,1|0,0,2]=4 341 B9R1.35 O=C(O)C1CC(O)CN1 SC-09592 [0,0,0,1,0,1|0,0,2]=4 342 B9R1.35 O=C(O)C1CC(O)CN1 SC-09594 [0,0,0,1,0,1|0,0,2]=4 343 B9R1.35 O=C(O)C1CCC(O)C1 SC-48116 [0,0,0,1,0,1|0,0,2]=4 344 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 SC-89720 [0,0,0,1,0,1|1,0,1]=4 345 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SC-09595 [0,0,0,1,0,1|0,0,2]=4 346 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SC-48740 [0,0,0,1,0,1|0,0,2]=4 347 B9R1.35 O=C1CCC(C(=O)O)C1 SC-28724 [0,0,0,1,0,1|0,0,0]=2 348 B9R1.35 O=C1CCC(C(=O)O)N1 SC-01249 [0,0,0,1,0,1|1,0,0]=3 349 B9R1.35 O=C1CCC(C(=O)O)O1 SC-93768 [0,0,0,1,0,1|1,0,0]=3 350 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 SC-07520 [0,0,0,1,0,1|1,0,0]=3 351 B9R1.35 O=C1CN[C@H](C(=O)O)C1 SC-52091 [0,0,0,1,0,1|0,0,0]=2 352 B9R1.35 O=C1C[C@@H](C(=O)O)CN1 SC-51331 [0,0,0,1,0,1|0,0,0]=2 353 B9R1.35 O=C1NCC(C(=O)O)O1 SC-99665 [0,0,0,1,0,1|1,0,0]=3 354 B9R1.35 [C@@H]1(C(=O)O)CCC(=O)O1 SC-47439 [0,0,0,1,0,1|1,0,0]=3 355 B9R1.35 [C@H]1(C(=O)O)CCC(=O)N1 SC-04305 [0,0,0,1,0,1|1,0,0]=3 356 B9R1.35 [C@H]1(C(=O)O)CCC(=O)O1 SC-08888 [0,0,0,1,0,1|1,0,0]=3 357 B9R1.53 CC(=O)OC1CC(=O)C1 SC-22301 [0,0,0,1,0,1|1,0,0]=3 358 B9R1.53 CC(=O)OC1CC(=O)N1 SC-20312 [0,0,0,1,0,1|1,0,0]=3 359 B9R1.1 COC1CCC(=O)CC1 SC-51182 [0,1,0,1,0,0|1,0,1]=4 360 B9R1.1 O=C1CCC(CO)CC1 SC-66212 [0,1,0,1,0,0|1,0,1]=4 361 B9R1.69 CN1CCC(=O)CC1=O SC-A3321 [0,1,0,1,0,0|2,0,0]=4 362 B9R1.82 C=C1CC(C(=O)OC)C1 SC-48884 [0,1,0,1,0,0|1,0,0]=3 363 B9R1.82 COC(=O)C1CC(=O)C1 SC-21555 [0,1,0,1,0,0|0,0,0]=2 364 B9R1.82 COC(=O)C1CC(Cl)C1 SC-B8557 [0,1,0,1,0,0|1,0,1]=4 365 B9R1.82 COC(=O)C1CC(O)C1 SC-53013 [0,1,0,1,0,0|0,0,2]=4 366 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 SC-99994 [0,1,0,1,0,0|0,0,2]=4 367 B9R1.84 O=C(O)CCC1CCC1 SC-30968 [0,1,0,1,0,0|1,0,1]=4 368 B9R1.95 COC1CC(C(=O)O)C1 SC-21516 [0,1,0,1,0,0|0,0,2]=4 369 B9R1.112 NC(CC1CC1)C(=O)O SC-60891 [0,1,0,1,0,0|1,0,1]=4 370 B9R1.137 NC(CC(=O)O)C1CC1 SC-89968 [0,1,0,1,0,0|1,0,1]=4 371 B9R1.164 O=C(O)C1CC(F)(F)C1 SC-14449 [0,1,0,1,0,0|1,0,1]=4 372 B5R0.5 C=C(C)C(N)=O SC-74591 [0,0,0,0,2,0|2,0,0]=4 373 B5R0.5 C=C(F)C(=O)O SC-47473 [0,0,0,0,2,0|1,0,1]=4 374 B5R0.5 CC(=O)C(=O)O SC-17382 [0,0,0,0,2,0|0,0,0]=2 375 B5R0.5 CC(=O)C(=O)[O-] SC-17414 [0,0,0,0,2,0|0,0,1]=3 376 B5R0.5 CC(F)C(=O)O SC-83429 [0,0,0,0,2,0|1,0,1]=4 377 B5R0.5 CC(N)C(=O)O SC-09271 [0,0,0,0,2,0|1,0,1]=4 378 B5R0.5 CC(S)C(=O)O SC-74563 [0,0,0,0,2,0|0,1,1]=4 379 B5R0.5 C[C@@H](Br)C(=O)O SC-08843 [0,0,0,0,2,0|1,0,1]=4 380 B5R0.5 C[C@@H](Cl)C(=O)O SC-06610 [0,0,0,0,2,0|1,0,1]=4 381 B5R0.5 C[C@@H](N)C(=O)O SC-09270 [0,0,0,0,2,0|1,0,1]=4 382 B5R0.5 C[C@H](Cl)C(=O)O SC-03218 [0,0,0,0,2,0|1,0,1]=4 383 B5R0.5 C[C@H](N)C(=O)O SC-09272 [0,0,0,0,2,0|1,0,1]=4 384 B5R0.5 NC(=O)C(=O)[O-] SC-52623 [0,0,0,0,2,0|1,0,1]=4 385 B5R0.5 O=C([O-])C(=O)[O-] SC-18408 [0,0,0,0,2,0|1,0,1]=4 386 B5R0.5 O=C([O-])C(=O)[O-] SC-20134 [0,0,0,0,2,0|1,0,1]=4 387 B5R0.5 O=C([O-])C(=O)[O-] SC-74359 [0,0,0,0,2,0|1,0,1]=4 388 B5R0.5 O=C([O-])C(=O)[O-] SC-A2542 [0,0,0,0,2,0|1,0,1]=4 389 B5R0.5 [C@@H](C)(Br)C(=O)O SC-03475 [0,0,0,0,2,0|1,0,1]=4 390 B9R0.55 CC(=O)NCCCC(=O)O SC-46117 [0,0,0,0,0,2|0,0,0]=2 391 B9R0.55 O=C(O)\C=C\CCC(=O)O SC-66378 [0,0,0,0,0,2|1,0,0]=3