0 B9R0.7 C=C(C)C(=O)OC[C@H](C)O D93082 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.7 CC(C)C(=O)NCC(=O)O F20066 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.7 CC(C)CNC(=O)C(=O)O W18577 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.8 CCCCC(=O)[C@H](C)N C72970 [1,0,0,0,0,0|2,0,0]=3 4 B8R0.8 CN(C)C(=O)CCCCl S12226 [1,0,0,0,0,0|3,0,0]=4 5 B8R0.28 CC(C)OCOC(C)C D93413 [1,0,0,0,0,0|3,0,0]=4 6 B8R0.23 C=C(CC(C)C)C(C)=O H11904 [0,0,0,0,1,0|2,0,1]=4 7 B8R0.23 CC(=O)C(=O)OC(C)C C11673 [0,0,0,0,1,0|1,0,1]=3 8 B8R0.23 CC(C)OC(=O)N(C)C A11034 [0,0,0,0,1,0|1,0,0]=2 9 B8R0.23 CN(C)CC(=O)N(C)O T72789 [0,0,0,0,1,0|3,0,0]=4 10 B7R0.3 CCC(=O)OCCO A11774 [2,0,0,0,0,0|1,0,0]=3 11 B7R0.4 CCCNCC(C)C AC1640 [2,0,0,0,0,0|1,0,1]=4 12 B7R0.5 CCOC(=O)[C@H](C)O D75729 [2,0,0,0,0,0|1,0,0]=3 13 B7R0.5 CCSC(=O)[C@H](C)N C14826 [2,0,0,0,0,0|1,1,0]=4 14 B7R0.6 CC(=O)NNC(C)C F19849 [2,0,0,0,0,0|2,0,0]=4 15 B7R0.6 CC(=O)ON=C(C)C F19954 [2,0,0,0,0,0|1,0,1]=4 16 B9R0.3 CC(C)(C)C(=O)NCCN D86304 [1,1,0,0,0,0|2,0,0]=4 17 B9R0.3 CC(C)(C)C(=O)NCCO W16100 [1,1,0,0,0,0|2,0,0]=4 18 B9R0.3 CC(C)(C)C(=O)SCCO A12087 [1,1,0,0,0,0|1,1,0]=4 19 B9R0.3 CCCCC(=O)C(C)(C)C D92946 [1,1,0,0,0,0|1,0,0]=3 20 B9R0.47 C=C(C)C(=O)OCCCO A12375 [1,1,0,0,0,0|0,0,2]=4 21 B9R0.47 CCCCCC(=O)N(C)C C16028 [1,1,0,0,0,0|2,0,0]=4 22 B9R0.23 C=C(CC(C)C)C(=O)OC W19515 [1,1,0,0,0,0|2,0,0]=4 23 B9R0.23 COC(=O)C(=O)CC(C)C 29859 [1,1,0,0,0,0|2,0,0]=4 24 B9R0.23 COC(=O)[C@@H](O)CC(C)C C13521 [1,1,0,0,0,0|2,0,0]=4 25 B9R0.24 O=C(CS)OC[C@@H](O)CO H10926 [1,1,0,0,0,0|2,0,0]=4 26 B9R0.48 CC(C)CNC(=O)CCN D86301 [1,1,0,0,0,0|1,0,0]=3 27 B9R0.48 CCOC(=O)CC[C@H](C)Br C77584 [1,1,0,0,0,0|2,0,0]=4 28 B9R0.48 CCOC(=O)OCC(C)C A12452 [1,1,0,0,0,0|0,0,0]=2 29 B9R0.1 CC(C)CCC[C@H](C)CO A11755 [1,1,0,0,0,0|1,0,1]=4 30 B9R0.57 CC(C)C(=O)CC(C)(C)O D93044 [0,1,0,0,1,0|0,0,0]=2 31 B9R0.57 CN(C)C(=O)OC(C)(C)C D87247 [0,1,0,0,1,0|1,0,0]=3 32 B9R0.57 C[C@H](O)C(=O)OC(C)(C)C C11494 [0,1,0,0,1,0|1,0,0]=3 33 B9R0.57 C[C@H](O)C(=O)OC(C)(C)C P17851 [0,1,0,0,1,0|1,0,0]=3 34 B11R0.34 C[C@H](N)CNC(=O)OC(C)(C)C 86282 [0,1,0,0,0,1|2,0,0]=4 35 B11R0.34 C[C@H](N)CNC(=O)OC(C)(C)C 86341 [0,1,0,0,0,1|2,0,0]=4 36 B11R0.34 C[C@H](N)CNC(=O)OC(C)(C)C I11583 [0,1,0,0,0,1|2,0,0]=4 37 B11R0.84 CN(C)CCNC(=O)C(C)(C)N AC3244 [0,1,0,0,0,1|2,0,0]=4 38 B11R0.89 C[C@@H](CO)COC(=O)C(C)(C)C D86265 [0,2,0,0,0,0|0,0,0]=2 39 B9R1.5 C[C@@H]1NCCCNC1=O F50270 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.5 C[C@@H]1NCCCNC1=O F50344 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.5 C[C@H]1CCNCCC1=O 73013 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.5 N[C@H]1CCCCNC1=O A56020 [1,0,0,1,0,0|2,0,0]=4 43 B9R1.23 CN1C[C@H](CO)OC1=O 56525 [1,0,0,1,0,0|2,0,0]=4 44 B9R1.23 CN1C[C@H](CO)OC1=O 56533 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.40 CC1(C)CCCNC1=O P19113 [1,0,0,1,0,0|1,0,0]=3 46 B9R1.40 CC1(C)CCCOC1=O 60202 [1,0,0,1,0,0|0,0,0]=2 47 B9R1.40 CC1(C)COCCC1=O P12769 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.106 CC1(C)C(=O)NC[C@@H]1N P14863 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.112 CN(C)C(=O)NC1CC1 D94426 [1,0,0,1,0,0|2,0,0]=4 50 B9R1.10 CC1(C)CNC(=O)CN1 P16103 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.10 CC1(O)CCC(=O)CC1 F13738 [1,0,0,1,0,0|2,0,0]=4 52 B9R1.49 O=C1CCC[C@H](O)CN1 N10631 [1,0,0,1,0,0|2,0,0]=4 53 B9R1.82 COC(=O)C1CC(C)C1 84766 [1,0,0,1,0,0|2,0,0]=4 54 B11R1.42 CC1(C)CCC(=O)[C@H](C=O)C1 84329 [0,1,0,1,0,0|1,0,1]=4 55 B11R1.491 CC1(C)C(=O)NC(=O)C1(C)C W16795 [0,1,0,1,0,0|1,0,1]=4 56 B11R2.548 NC1CN(C(=O)C2CC2)C1 54063 [0,0,0,2,0,0|2,0,0]=4 57 B11R2.1076 C[C@]1(N)CNC(=O)C12CC2 84560 [0,0,0,2,0,0|2,0,0]=4 58 B7R0.2 CC(C)NC(=O)CBr A12824 [1,0,0,0,1,0|2,0,0]=4 59 B7R0.2 CC(C)NC(=O)CI A11046 [1,0,0,0,1,0|2,0,0]=4 60 B7R0.2 CC(C)OC(=O)CN FD21588 [1,0,0,0,1,0|1,0,0]=3 61 B7R0.2 CC(C)OC(=O)NN A11099 [1,0,0,0,1,0|2,0,0]=4 62 B7R0.2 COC(=O)C[C@H](C)N FD10418 [1,0,0,0,1,0|2,0,0]=4 63 B7R0.2 COC(=O)C[C@H](C)N S11691 [1,0,0,0,1,0|2,0,0]=4 64 B9R0.4 CC(C)NC(=O)NCCN AR2165 [1,0,0,0,0,1|2,0,0]=4 65 B11R0.85 CC(=O)CCC(=O)OCC(C)C D93295 [0,0,0,0,0,2|1,0,1]=4 66 B11R0.85 CC(C)CCC(=O)CCN(C)C C71275 [0,0,0,0,0,2|2,0,0]=4 67 B11R0.85 CC(C)COC(=O)OCC(C)C D81477 [0,0,0,0,0,2|0,0,0]=2