0 B8R0.3 CCOC(=O)N(C)N=O C19301 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.3 C\C=C(/C)C(=O)OCC C08487 [0,0,0,0,0,0|0,0,2]=2 2 B7R0.7 CCNC(=S)NCC C19400 [1,0,0,0,0,0|2,1,0]=4 3 B7R0.10 CCC(=O)C(O)CC C02948 [1,0,0,0,0,0|1,0,0]=2 4 B7R0.10 COC(=O)C(=O)OC C10900 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.10 CSC(=O)[C@H](O)CO C03804 [1,0,0,0,0,0|2,1,0]=4 6 B7R0.10 O=C(CO)[C@@H](O)CO C02045 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.10 O=C(CO)[C@H](O)CO C02022 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.10 [*]CC(C)C(=O)S[*] C21392 [1,0,0,0,0,0|2,1,0]=4 9 B7R0.10 [*]SC(=O)[C@@H](C)CC C21129 [1,0,0,0,0,0|1,1,0]=3 10 B9R0.37 CCCC(O)C(CC)CO C14271 [0,1,0,0,0,0|1,0,2]=4 11 B9R0.37 CCSC(=O)N(CC)CC C19095 [0,1,0,0,0,0|1,1,0]=3 12 B9R1.5 CC1CCCCOC1=O C10976 [0,0,0,1,0,0|0,0,0]=1 13 B9R1.5 N[C@@H]1CCCCNC1=O C05328 [0,0,0,1,0,0|2,0,0]=3 14 B9R1.5 N[C@H]1CCCCNC1=O C02837 [0,0,0,1,0,0|2,0,0]=3 15 B9R1.5 O=C1OCCCCC1O C12314 [0,0,0,1,0,0|1,0,0]=2 16 B9R1.202 CCC1(C)CCOC1=O C13714 [0,0,0,1,0,0|0,0,0]=1 17 B9R1.202 CCC1(C)CCSC1=O C13720 [0,0,0,1,0,0|0,1,0]=2 18 B6R0.1 C=CC(=O)OCC C19238 [2,0,0,0,0,0|0,0,2]=4 19 B6R0.1 CC[C@H](C)\C=N/O C20312 [2,0,0,0,0,0|2,0,0]=4 20 B6R0.1 CC[C@H](C)\C=N\O C19491 [2,0,0,0,0,0|2,0,0]=4 21 B6R0.1 COCC(=O)OC C14601 [2,0,0,0,0,0|1,0,0]=3 22 B6R0.1 [*]SC(=O)CCC C05745 [2,0,0,0,0,0|1,1,0]=4 23 B6R0.4 C(=N/OC)C(C)C C03982 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.6 CC\C=C/CCO C08492 [2,0,0,0,0,0|2,0,0]=4 25 B6R0.3 C=C(C)C(=O)OC C14527 [2,0,0,0,0,0|0,0,2]=4 26 B6R0.3 C=C(C)C(=O)OC C19504 [2,0,0,0,0,0|0,0,2]=4 27 B6R0.3 CC(C=O)C(=O)O C00349 [2,0,0,0,0,0|1,0,1]=4 28 B6R0.3 CC(CN)C(=O)O C05145 [2,0,0,0,0,0|1,0,0]=3 29 B6R0.3 CC(CO)C(=O)O C01188 [2,0,0,0,0,0|1,0,0]=3 30 B6R0.3 CCC(=N)C(=O)O C20905 [2,0,0,0,0,0|1,0,1]=4 31 B6R0.3 CCC(=O)C(=O)O C00109 [2,0,0,0,0,0|1,0,1]=4 32 B6R0.3 CCC(C)C(=O)O C18319 [2,0,0,0,0,0|0,0,0]=2 33 B6R0.3 CC[C@@H](N)C(=O)O C02261 [2,0,0,0,0,0|1,0,0]=3 34 B6R0.3 CC[C@H](N)C(=O)O C02356 [2,0,0,0,0,0|1,0,0]=3 35 B6R0.3 CC[C@H](O)C(=O)O C05984 [2,0,0,0,0,0|1,0,0]=3 36 B6R0.3 CN[C@@H](C)C(=O)O C02721 [2,0,0,0,0,0|1,0,0]=3 37 B6R0.3 C[C@@H](C=O)C(=O)O C06002 [2,0,0,0,0,0|1,0,1]=4 38 B6R0.3 C[C@@H](CN)C(=O)O C03284 [2,0,0,0,0,0|1,0,0]=3 39 B6R0.3 C[C@@H](CO)C(=O)O C06001 [2,0,0,0,0,0|1,0,0]=3 40 B6R0.3 C[C@H](C=O)C(=O)O C21030 [2,0,0,0,0,0|1,0,1]=4 41 B6R0.3 C[C@H](CN)C(=O)O C01205 [2,0,0,0,0,0|1,0,0]=3 42 B6R0.3 C\C=C(/C)C(=O)O C08279 [2,0,0,0,0,0|0,0,2]=4 43 B6R0.3 NC(CO)C(=O)O C00716 [2,0,0,0,0,0|2,0,0]=4 44 B6R0.3 NC(CS)C(=O)O C00736 [2,0,0,0,0,0|2,0,0]=4 45 B6R0.3 NCC(F)C(=O)O C16632 [2,0,0,0,0,0|2,0,0]=4 46 B6R0.3 NCC(N)C(=O)O C06393 [2,0,0,0,0,0|2,0,0]=4 47 B6R0.3 NC[C@H](N)C(=O)O C03401 [2,0,0,0,0,0|2,0,0]=4 48 B6R0.3 N[C@@H](CCl)C(=O)O C02635 [2,0,0,0,0,0|2,0,0]=4 49 B6R0.3 N[C@@H](CO)C(=O)O C00065 [2,0,0,0,0,0|2,0,0]=4 50 B6R0.3 N[C@@H](CS)C(=O)O C00097 [2,0,0,0,0,0|2,0,0]=4 51 B6R0.3 N[C@H](CCl)C(=O)O C02634 [2,0,0,0,0,0|2,0,0]=4 52 B6R0.3 N[C@H](CF)C(=O)O C02638 [2,0,0,0,0,0|2,0,0]=4 53 B6R0.3 N[C@H](CO)C(=O)O C00740 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.3 N[C@H](CS)C(=O)O C00793 [2,0,0,0,0,0|2,0,0]=4 55 B6R0.3 O=C(O)[C@@H](O)CS C05823 [2,0,0,0,0,0|2,0,0]=4 56 B6R0.3 O=C(O)[C@H](O)CO C00258 [2,0,0,0,0,0|2,0,0]=4 57 B6R0.3 [*]CC(N)C(=O)O C17266 [2,0,0,0,0,0|2,0,0]=4 58 B6R0.3 [*]CC(O)C(=O)O C05102 [2,0,0,0,0,0|2,0,0]=4 59 B6R0.3 [*]C[C@H](N)C(=O)O C01021 [2,0,0,0,0,0|2,0,0]=4 60 B6R0.3 [*][C@H](NC)C(=O)O C03148 [2,0,0,0,0,0|2,0,0]=4 61 B6R0.3 [SeH]C[C@H](N)C(=O)O C05688 [2,0,0,0,0,0|2,0,0]=4 62 B8R0.11 CCCCC(CC)CO C02498 [1,1,0,0,0,0|1,0,1]=4 63 B8R0.5 CCOC(=O)CC(C)=O C03500 [1,1,0,0,0,0|0,0,1]=3 64 B8R0.5 CCOC(=O)CC(C)C C12290 [1,1,0,0,0,0|0,0,0]=2 65 B8R0.5 CCOC(=O)C[C@@H](C)O C03499 [1,1,0,0,0,0|0,0,0]=2 66 B8R0.22 CCCN(CCC)N=O C19279 [1,1,0,0,0,0|2,0,0]=4 67 B8R0.30 CCOP(=O)(O)OCC C06608 [1,1,0,0,0,0|2,0,0]=4 68 B8R0.30 CCOS(=O)(=O)OCC C14706 [1,1,0,0,0,0|2,0,0]=4 69 B10R0.2 CCCC(=O)CC(=O)OCC C02975 [0,1,0,0,0,1|1,0,1]=4 70 B10R0.2 CCC[C@@H](O)CC(=O)OCC C03864 [0,1,0,0,0,1|1,0,0]=3 71 B10R0.2 CCC[C@H](O)CC(=O)OCC C03865 [0,1,0,0,0,1|1,0,0]=3 72 B10R0.2 CCOC(=O)OC(=O)OCC C11592 [0,1,0,0,0,1|1,0,1]=4 73 B8R1.4 C[C@H]1CC=CC(=O)O1 C08502 [1,0,0,1,0,0|0,0,2]=4 74 B8R1.4 O=C1CCCC(O)C1 C03228 [1,0,0,1,0,0|2,0,0]=4 75 B10R1.34 O=C1O[C@@H](CO)[C@@H](O)[C@@H]1O C02994 [0,1,0,1,0,0|2,0,0]=4 76 B10R1.34 O=C1O[C@@H](CO)[C@H](O)[C@H]1O C01114 [0,1,0,1,0,0|2,0,0]=4 77 B10R1.34 O=C1O[C@H](CO)[C@@H](O)[C@@H]1O C00652 [0,1,0,1,0,0|2,0,0]=4 78 B10R1.34 O=C1O[C@H](CO)[C@H](O)[C@H]1O C02753 [0,1,0,1,0,0|2,0,0]=4 79 B10R1.119 O=C1OC[C@@H](O)[C@H](O)[C@H]1O C02266 [0,1,0,1,0,0|2,0,0]=4 80 B10R1.119 O=C1OC[C@H](O)[C@H](O)[C@H]1O C05405 [0,1,0,1,0,0|2,0,0]=4