0 B8R1.50 C=C1C(=O)OC[C@H]1O C21187 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.2 CC1=CC(O)=NO1 C11103 [1,0,0,0,0,0|1,0,1]=3 2 B7R1.2 O=C1CCC(=O)N1 C07273 [1,0,0,0,0,0|3,0,0]=4 3 B7R1.2 O=C1CCC(=O)O1 C19524 [1,0,0,0,0,0|3,0,0]=4 4 B7R1.2 O=C1CNC(=O)N1 C05146 [1,0,0,0,0,0|3,0,0]=4 5 B7R1.2 O=C1CSC(=S)N1 C07280 [1,0,0,0,0,0|2,1,0]=4 6 B7R1.4 C=C1CCOC1=O C20578 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.37 C=C1OC(C)=C(O)C1=O C20718 [0,1,0,0,0,0|0,0,1]=2 8 B9R1.37 CC1=C(O)C(=O)C(C)O1 C20717 [0,1,0,0,0,0|0,0,0]=1 9 B7R0.10 CCC(=O)C(O)CC C02948 [0,0,1,0,0,0|1,0,2]=4 10 B7R0.10 C\C(=C\N)C(=O)OO C20250 [0,0,1,0,0,0|3,0,0]=4 11 B7R0.10 O=C(CO)[C@@H](O)CO C02045 [0,0,1,0,0,0|1,0,2]=4 12 B7R0.10 O=C(CO)[C@H](O)CO C02022 [0,0,1,0,0,0|1,0,2]=4 13 B7R0.16 CC(=O)C(N)C(=O)O C03214 [0,0,1,0,0,0|2,0,1]=4 14 B7R0.16 CC(=O)[C@H](N)C(=O)O C03508 [0,0,1,0,0,0|2,0,1]=4 15 B7R0.16 CC(O)C(O)C(N)=O C11108 [0,0,1,0,0,0|1,0,2]=4 16 B7R0.16 O=C(O)C(=O)C(=O)O C00830 [0,0,1,0,0,0|2,0,1]=4 17 B7R0.16 O=C(O)C(O)C(=O)O C02287 [0,0,1,0,0,0|2,0,1]=4 18 B7R1.15 O=C1C=C(O)C1=O C20592 [0,0,0,0,1,0|1,0,2]=4 19 B9R1.3 CC1=C(O)C(=O)C=CO1 C11918 [0,0,0,0,0,1|0,0,1]=2 20 B9R1.3 CC1=CC=CC(O)=C1O C02923 [0,0,0,0,0,1|1,0,2]=4 21 B9R1.69 CC1=CC(O)=C(O)C=C1 C06730 [0,0,0,0,0,1|1,0,2]=4 22 B9R1.69 CC1=CNC(=O)N=C1N C02376 [0,0,0,0,0,1|3,0,0]=4 23 B9R1.69 CC1=CNC(=O)NC1=O C00178 [0,0,0,0,0,1|2,0,1]=4 24 B9R1.69 O=C1C=CC(=O)C(O)=C1 C07103 [0,0,0,0,0,1|2,0,1]=4 25 B6R0.1 C=CC(=O)OCC C19238 [1,0,1,0,0,0|1,0,1]=4 26 B6R0.1 COCC(=O)OC C14601 [1,0,1,0,0,0|2,0,0]=4 27 B6R0.1 N\C=C/C(=O)OO C20249 [1,0,1,0,0,0|2,0,0]=4 28 B6R0.1 [*]OCC(=O)CO C02446 [1,0,1,0,0,0|1,0,1]=4 29 B6R0.1 [*]SC(=O)\C=C\C C04246 [1,0,1,0,0,0|2,0,0]=4 30 B6R0.4 CCCCC(=O)O C00803 [1,0,1,0,0,0|1,0,1]=4 31 B6R0.4 CCNCC(=O)O C11735 [1,0,1,0,0,0|1,0,1]=4 32 B6R0.4 CSCCC(=O)O C08276 [1,0,1,0,0,0|2,0,0]=4 33 B6R0.4 N=CNCC(=O)O C02718 [1,0,1,0,0,0|2,0,0]=4 34 B6R0.4 O=CCCC(=O)O C00232 [1,0,1,0,0,0|2,0,0]=4 35 B6R0.3 C=C(C)C(=O)OC C14527 [1,0,1,0,0,0|2,0,0]=4 36 B6R0.3 C=C(C)C(=O)OC C19504 [1,0,1,0,0,0|2,0,0]=4 37 B6R0.3 CC(=O)\C(C)=N\O C07509 [1,0,1,0,0,0|2,0,0]=4 38 B6R0.3 CCC(=N)C(=O)O C20905 [1,0,1,0,0,0|1,0,1]=4 39 B6R0.3 CCC(=O)C(=O)O C00109 [1,0,1,0,0,0|0,0,2]=4 40 B6R0.3 CCC(C)C(=O)O C18319 [1,0,1,0,0,0|1,0,1]=4 41 B6R0.3 CC[C@H](O)C(=O)O C05984 [1,0,1,0,0,0|0,0,2]=4 42 B6R0.3 CN[C@@H](C)C(=O)O C02721 [1,0,1,0,0,0|1,0,1]=4 43 B6R0.3 C\C(=N\O)C(=O)O C02193 [1,0,1,0,0,0|2,0,0]=4 44 B6R0.3 C\C=C(/C)C(=O)O C08279 [1,0,1,0,0,0|1,0,0]=3 45 B6R0.3 C\C=C(/N)C(=O)O C17234 [1,0,1,0,0,0|1,0,0]=3 46 B6R0.3 O=C(O)C(=O)CO C00168 [1,0,1,0,0,0|1,0,0]=3 47 B6R0.3 O=C(O)C(=O)CS C00957 [1,0,1,0,0,0|1,1,0]=4 48 B6R0.3 O=CC(O)C(=O)O C01146 [1,0,1,0,0,0|1,0,1]=4 49 B6R0.3 [*]C(O)C(=O)CO C02319 [1,0,1,0,0,0|1,0,1]=4 50 B6R0.3 [*]CC(=O)C(=O)O C00972 [1,0,1,0,0,0|2,0,0]=4 51 B6R0.3 [*]CC(=O)C(=O)O C17265 [1,0,1,0,0,0|2,0,0]=4 52 B6R0.2 CC(=O)CC(=O)O C00164 [1,0,1,0,0,0|1,0,1]=4 53 B6R0.2 CC(=O)CC(C)=O C15499 [1,0,1,0,0,0|0,0,2]=4 54 B6R1.2 O=C1C=CCO1 C17601 [2,0,0,0,0,0|1,0,0]=3 55 B6R1.2 O=C1C=CNO1 C20891 [2,0,0,0,0,0|2,0,0]=4 56 B6R1.2 O=C1CC=CO1 C17602 [2,0,0,0,0,0|2,0,0]=4 57 B6R1.2 O=C1CNC=N1 C06195 [2,0,0,0,0,0|2,0,0]=4 58 B8R0.8 CCCCC(=O)C(=O)O C00902 [0,1,1,0,0,0|1,0,1]=4 59 B8R0.8 CSCCC(=O)C(=O)O C01180 [0,1,1,0,0,0|2,0,0]=4 60 B8R0.8 C\C=C\CC(=O)C(=O)O C06761 [0,1,1,0,0,0|1,0,0]=3 61 B8R0.8 O=CCCC(=O)C(=O)O C00433 [0,1,1,0,0,0|2,0,0]=4 62 B8R0.2 O=C(O)[C@@H](O)C(=O)CO C21612 [0,1,1,0,0,0|1,0,1]=4 63 B8R0.2 O=C(O)[C@H](O)C(=O)CO C03064 [0,1,1,0,0,0|1,0,1]=4 64 B8R0.37 CC(=O)C(C)(O)C(=O)O C00900 [0,1,1,0,0,0|1,0,1]=4 65 B8R0.37 CC(=O)[C@](C)(O)C(=O)O C06010 [0,1,1,0,0,0|1,0,1]=4 66 B8R1.1 NCC1=CC(=O)NO1 C08311 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.2 CC1=C(O)C(C=O)=CC=C1 C14087 [0,1,0,0,0,1|1,0,1]=4 68 B10R1.2 CCC1=C(O)C(=O)C=CO1 C20362 [0,1,0,0,0,1|0,0,1]=3 69 B10R1.245 N\C=C1/C(=O)CCOC1=O C09960 [0,1,0,0,0,1|2,0,0]=4 70 B10R1.176 O=C1CO[C@H](CO)C=C1O C19822 [0,1,0,0,0,1|0,0,1]=3 71 B10R1.34 O=C1O[C@H](CO)C(O)=C1O C06316 [0,2,0,0,0,0|1,0,1]=4 72 B6R1.5 CC1CC(=O)O1 C19201 [1,0,0,0,1,0|0,0,2]=4 73 B8R0.23 CC(=O)CC(=O)C(=O)O C02132 [0,0,1,0,0,1|1,0,1]=4 74 B8R0.23 O=C(O)\C=C(/O)C(=O)O C03981 [0,0,1,0,0,1|2,0,0]=4