0 B8R0.16 C=C[C@H](CC)OC(C)=O D88448 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.16 CCN(CC)CC(=O)O A50526 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.2 CC[C@H](C)CC(C)C D89783 [1,0,0,0,0,0|2,0,1]=4 3 B7R0.2 CC[C@H](C)OC(=O)Cl F11295 [1,0,0,0,0,0|3,0,0]=4 4 B7R0.12 CCCC(OC)OC A11051 [1,0,0,0,0,0|0,0,1]=2 5 B7R0.12 COC(CCCl)OC D89518 [1,0,0,0,0,0|1,0,1]=3 6 B9R0.63 CO[P@](=O)(NC(C)=O)SC F21322 [0,1,0,0,0,0|2,1,0]=4 7 B9R1.2 COC1CC(C)C=CO1 D89986 [0,0,0,1,0,0|1,0,2]=4 8 B9R1.2 COC1CCCC(O)C1 P16568 [0,0,0,1,0,0|1,0,2]=4 9 B9R1.13 O=C(Cl)CC1CCCC1 F11901 [0,0,0,1,0,0|3,0,0]=4 10 B6R0.1 C=CC[C@@H](C)CC D91307 [2,0,0,0,0,0|1,0,1]=4 11 B6R0.1 CCC[C@@H](C)CC D91320 [2,0,0,0,0,0|1,0,1]=4 12 B6R0.1 CCC[C@@H](O)CC F16582 [2,0,0,0,0,0|1,0,1]=4 13 B6R0.1 COC(=O)CC=O D87670 [2,0,0,0,0,0|0,0,2]=4 14 B6R0.1 COC[C@H](C)OC D90270 [2,0,0,0,0,0|1,0,0]=3 15 B6R0.1 C\C=C\[C@@H](C)CC D91310 [2,0,0,0,0,0|1,0,1]=4 16 B6R0.2 C=C(C)CC(C)C D89820 [2,0,0,0,0,0|1,0,0]=3 17 B6R0.2 CC(C)=CC(C)C T71140 [2,0,0,0,0,0|1,0,1]=4 18 B6R0.2 CC(C)CC(C)C D89716 [2,0,0,0,0,0|1,0,1]=4 19 B6R0.2 CC(C)C[C@H](C)N N12044 [2,0,0,0,0,0|1,0,1]=4 20 B6R0.2 CC(C)C[C@H](C)O D97159 [2,0,0,0,0,0|0,0,2]=4 21 B6R0.2 CC(C)C[C@H](C)O D97160 [2,0,0,0,0,0|0,0,2]=4 22 B6R0.2 CC(C)OC(=O)Cl D97724 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.4 C=C(C)CCCC D91349 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.4 C=CCCC(C)=O D90803 [2,0,0,0,0,0|1,0,1]=4 25 B6R0.4 CCCCC(=O)Br D92781 [2,0,0,0,0,0|2,0,0]=4 26 B6R0.4 CSCCC(=O)Cl D91387 [2,0,0,0,0,0|1,1,0]=4 27 B6R0.9 CCC(CC)CC D90425 [2,0,0,0,0,0|2,0,0]=4 28 B6R0.9 CCC(CC)NC F11986 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.9 CC[C@@H](CO)OC D91512 [2,0,0,0,0,0|1,0,1]=4 30 B8R0.5 C=C(C)C[C@@H](C)CCC D89821 [1,1,0,0,0,0|2,0,0]=4 31 B8R0.5 COCC(=O)CC(C)=O F16578 [1,1,0,0,0,0|0,0,2]=4 32 B8R0.19 COC(=O)C[C@H](O)CCl 23155 [1,1,0,0,0,0|2,0,0]=4 33 B8R0.23 CC(=O)N[C@@H](C)C(C)=O 59332 [1,1,0,0,0,0|2,0,0]=4 34 B8R0.23 C[C@@H](CC(=O)O)N(C)C AT26641 [1,1,0,0,0,0|2,0,0]=4 35 B8R0.34 C=C(C)CC(C)(C)CC T72550 [1,1,0,0,0,0|2,0,0]=4 36 B8R0.22 CCC[C@@H](CC=O)SC A10718 [1,1,0,0,0,0|1,1,0]=4 37 B8R0.18 CCC(C(C)=O)C(C)=O D90505 [0,1,0,0,1,0|2,0,0]=4 38 B10R0.79 CCOC(CC(=O)O)OCC F11355 [0,2,0,0,0,0|1,0,0]=3 39 B10R0.79 CCOC(OCC)OC(C)=O AB11117 [0,2,0,0,0,0|1,0,0]=3 40 B8R1.4 C[C@H]1CCCC(=O)C1 94623 [1,0,0,1,0,0|1,0,0]=3 41 B8R1.2 CC[C@H]1CNCCO1 S12054 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.2 COC1CCCCC1 D91594 [1,0,0,1,0,0|1,0,1]=4 43 B8R1.2 CO[C@H]1CCCNC1 37170 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.8 N#CCC1OCCO1 T70683 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.60 COC1(OC)COC1 32772 [1,0,0,1,0,0|1,0,0]=3 46 B10R1.18 O=C(O)C[C@H]1CNCCO1 C14951 [0,1,0,1,0,0|2,0,0]=4 47 B10R2.71 O=C1CC2CCC(C1)N2 39147 [0,0,0,2,0,0|2,0,0]=4 48 B10R2.71 O=C1C[C@@H]2CC[C@H](C1)N2 78450 [0,0,0,2,0,0|2,0,0]=4 49 B6R0.3 C=C(C)[C@@H](C)CC T70795 [1,0,0,0,1,0|2,0,0]=4 50 B6R0.3 CC[C@H](C)C(C)=O 29434 [1,0,0,0,1,0|1,0,0]=3 51 B6R0.3 CC[C@H](O)C(=O)[O-] D90908 [1,0,0,0,1,0|2,0,0]=4 52 B6R0.3 CC[C@H](S)C(C)=O D91570 [1,0,0,0,1,0|1,1,0]=4 53 B6R0.3 CN[C@@H](C)C(=O)O AT16587 [1,0,0,0,1,0|2,0,0]=4 54 B6R0.3 CN[C@@H](C)C(=O)O FD21048 [1,0,0,0,1,0|2,0,0]=4 55 B6R0.3 CS[C@@H](C)C(C)=O D91444 [1,0,0,0,1,0|0,1,0]=3 56 B6R0.3 C\C=C(\C)C(C)=O D91447 [1,0,0,0,1,0|1,0,1]=4 57 B8R0.9 CC(=O)NC[C@@H](C)CN T70216 [1,0,0,0,0,1|2,0,0]=4