0 B9R0.48 CCC[C@H](C)CCC(C)=O D91303 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.48 CCC[C@H](Cl)CCC(=O)Cl AC2948 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.1 C=CCOC(=O)OCC D89384 [1,0,0,0,0,0|1,0,1]=3 3 B8R0.1 CCCCC(=O)CCC T72667 [1,0,0,0,0,0|1,0,1]=3 4 B8R0.1 CCOC(=O)CCCCl D89301 [1,0,0,0,0,0|1,0,1]=3 5 B8R0.1 CCOC(=O)NCCO AT13708 [1,0,0,0,0,0|1,0,2]=4 6 B8R0.1 CCOC(=O)\C=N\NC E72500 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.1 CC\C=C\C(=O)OCC D80177 [1,0,0,0,0,0|0,0,3]=4 8 B8R0.1 C\C=C\C(=O)CCCC T72492 [1,0,0,0,0,0|1,0,2]=4 9 B8R0.7 CCC\C=C/CC(=O)O D90865 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.9 CNC(=O)CNC(C)=O FD21634 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.9 NCC(=O)CCC(=O)O 27973 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.9 NCC(=O)NCC(=O)O D90716 [1,0,0,0,0,0|3,0,0]=4 13 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C FD21859 [0,1,0,0,0,0|1,0,1]=3 14 B10R0.109 CCOC(=O)CC[B-](F)(F)F A50030 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.140 C=C1CC(C(=O)OCC)C1 C91051 [0,0,0,1,0,0|1,0,0]=2 16 B8R0.5 CCOC(=O)CC(=N)N 71446 [0,0,0,0,1,0|2,0,0]=3 17 B8R0.5 COCC(=O)CC(C)=O F16578 [0,0,0,0,1,0|2,0,0]=3 18 B10R0.3 CCC[C@H](C)CCOC(C)=O T70972 [0,0,0,0,0,1|2,0,1]=4 19 B7R0.1 CC\C=C/CCCC T71802 [2,0,0,0,0,0|1,0,1]=4 20 B7R0.1 CC\C=C\CCC=O D90892 [2,0,0,0,0,0|1,0,0]=3 21 B7R0.1 CC\C=C\CCCC D91811 [2,0,0,0,0,0|1,0,1]=4 22 B7R0.3 C=C(CC)CCCC D90439 [2,0,0,0,0,0|1,0,1]=4 23 B7R0.3 C\C=C\CC(=O)OC D92089 [2,0,0,0,0,0|0,0,1]=3 24 B7R0.3 [C-]#[N+]CCC(=O)OC D87661 [2,0,0,0,0,0|1,0,1]=4 25 B7R0.7 CCOC(=O)CC#N C90336 [2,0,0,0,0,0|1,0,1]=4 26 B7R0.7 CCOS(=O)OCC D95289 [2,0,0,0,0,0|2,0,0]=4 27 B7R0.7 CCSC(=O)SCC T71137 [2,0,0,0,0,0|1,1,0]=4 28 B7R0.4 C=C(C)CCCCC D91350 [2,0,0,0,0,0|1,0,1]=4 29 B7R0.4 CCOCCC(=O)O F11739 [2,0,0,0,0,0|1,0,0]=3 30 B7R0.4 CCOCCC(C)=O D90475 [2,0,0,0,0,0|0,0,0]=2 31 B7R0.6 C=C(C)CCC(=C)C D89711 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.6 CC(=O)COC(C)=O D88372 [2,0,0,0,0,0|1,0,0]=3 33 B7R0.6 NC(=O)CCC(=O)O H12054 [2,0,0,0,0,0|1,0,0]=3 34 B7R0.6 NC(=O)SCC(=O)O E72504 [2,0,0,0,0,0|2,0,0]=4 35 B9R0.5 CCCCCC(=O)CCC D91706 [1,1,0,0,0,0|1,0,1]=4 36 B9R0.46 CCCCCCC(=O)CC D91660 [1,1,0,0,0,0|1,0,1]=4 37 B9R0.55 CC(=O)CCOCC(C)C D91117 [1,1,0,0,0,0|2,0,0]=4 38 B9R0.23 COC(=O)[C@@H](N)CC(C)C FD21914 [1,1,0,0,0,0|1,0,1]=4 39 B9R0.6 CCOC(=O)C(Br)C(C)Br D90090 [0,1,0,0,1,0|1,0,1]=4 40 B9R0.6 CCOC(=O)[C@@H](N)C(C)=O 25217 [0,1,0,0,1,0|0,0,0]=2 41 B9R0.44 CCOC(=O)CC(C)(C)C 11857 [0,1,0,0,1,0|1,0,1]=4 42 B11R0.1 CCOC(=O)C[C@@H](N)CC(C)C D86970 [0,1,0,0,0,1|1,0,1]=4 43 B11R0.1 CCOC(=O)C[C@H](C)OC(C)=O D88336 [0,1,0,0,0,1|0,0,0]=2 44 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O AC9268 [0,1,0,0,0,1|2,0,0]=4 45 B11R0.54 CCOC(=O)CN(C)S(C)(=O)=O AC6410 [0,2,0,0,0,0|2,0,0]=4 46 B11R0.187 CCOC(=O)CN(C)C(=O)CCl C11130 [0,2,0,0,0,0|1,0,0]=3 47 B11R0.56 CCOC(=O)[C@@H](C#N)NC(C)=O F12299 [0,2,0,0,0,0|1,0,0]=3 48 B11R0.149 CC(C)C[C@H](O)C(=O)OC(C)C D91250 [0,2,0,0,0,0|1,0,1]=4 49 B11R0.46 N#CCCOC(=O)CCC(=O)O E72452 [0,2,0,0,0,0|1,0,0]=3 50 B9R1.49 CN1CCCC(=O)CC1 25775 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.73 CCOC(=O)C1CNC1 D87600 [1,0,0,1,0,0|1,0,0]=3 52 B9R1.183 CCOC(=O)C1CC1F D86741 [1,0,0,1,0,0|1,0,1]=4 53 B9R1.34 CC1CC(=O)CC(C)O1 20473 [0,0,0,1,1,0|1,0,1]=4 54 B11R1.645 CC(=O)N[C@H]1CC(=O)OC1=O 20428 [0,0,0,1,0,1|1,0,1]=4 55 B11R1.645 CC(=O)O[C@H]1CC(=O)OC1=O D78724 [0,0,0,1,0,1|1,0,1]=4 56 B11R1.645 CC(=O)S[C@H]1CC(=O)OC1=O F11361 [0,0,0,1,0,1|1,0,1]=4 57 B11R1.48 CCN1C[C@@H](C(=O)O)CC1=O W18668 [0,1,0,1,0,0|2,0,0]=4 58 B7R0.5 CCCC(=O)C(=O)O T71973 [0,0,0,0,2,0|2,0,0]=4 59 B7R0.5 CCOC(=O)[C@H](C)Cl D89296 [0,0,0,0,2,0|1,0,1]=4 60 B7R0.5 CCOC(=O)[C@H](C)F AT11652 [0,0,0,0,2,0|1,0,1]=4 61 B7R0.5 CCOC(=O)[C@H](C)N D87947 [0,0,0,0,2,0|1,0,1]=4