0 B8R0.28 C=C(C)CCCC(C)=O AMY15319 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.28 CC(=O)CCCC(=O)[O-] AMY19481 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.28 CC(=O)C\C=C\C(=O)O AMY24785 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.28 CC(=O)NCCC(=O)O AM83102 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.28 CC(C)=CCNC(=N)N AMY36795 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.28 CN(C)CCCC(=O)O AMY31363 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.4 CCCCOC(C)=O AMY11075 [1,0,0,0,0,0|0,1,2]=4 7 B7R0.4 CNCCOC(C)=O AMY15057 [1,0,0,0,0,0|1,1,1]=4 8 B9R0.1 CC(C)=CCC[C@H](C)C=O AMY25518 [0,1,0,0,0,0|1,0,1]=3 9 B9R0.53 CC(C)=CC(=O)C=C(C)C AMY13323 [0,1,0,0,0,0|2,0,1]=4 10 B9R0.56 CC(=O)OCC[N+](C)(C)C AM20080864 [0,1,0,0,0,0|1,1,1]=4 11 B9R0.56 CC(=O)SCC[N+](C)(C)C AMY27039 [0,1,0,0,0,0|1,0,1]=3 12 B9R0.56 CC(=O)SCC[N+](C)(C)C AMY27054 [0,1,0,0,0,0|1,0,1]=3 13 B9R1.35 CC(=O)N1CCC(=O)C1 AM100682 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.49 CN1CCCC(=O)CC1 AM20090140 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.49 CN1CCNC(=O)CC1 AM20120571 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.53 CC(=O)N[C@@H]1CC(=O)N1 AM9646 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.53 CC(=O)O[C@H]1CC(=O)N1 AM20090365 [0,0,0,1,0,0|2,1,0]=4 18 B9R1.66 CC1(C)CC(=O)CCO1 AM20080139 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.66 CC1(C)CCCC(=O)C1 AM84905 [0,0,0,1,0,0|1,0,2]=4 20 B9R1.66 CC1(C)CCNC(=O)C1 AM90109 [0,0,0,1,0,0|1,0,2]=4 21 B7R0.6 CC(=O)CCC(=O)O AM20080171 [0,0,0,0,1,0|2,0,1]=4 22 B7R0.6 CC(=O)CCC(C)=O AMY25528 [0,0,0,0,1,0|1,0,1]=3 23 B7R0.6 CC(=O)CNC(C)=O AMY32031 [0,0,0,0,1,0|2,0,0]=3 24 B7R0.6 CC(=O)NCC(=O)O AM81782 [0,0,0,0,1,0|3,0,0]=4 25 B7R0.6 CC(=O)OCC(=O)Cl AMY39424 [0,0,0,0,1,0|2,1,0]=4 26 B7R0.6 CC(=O)OCC(=O)O AMY3826 [0,0,0,0,1,0|2,1,0]=4 27 B7R0.6 CC(=O)\C=C\N(C)C AMY31395 [0,0,0,0,1,0|1,0,1]=3 28 B7R0.6 CC(C)CCC(=O)Cl AMY33518 [0,0,0,0,1,0|1,0,2]=4 29 B7R0.6 CC(C)NCC(=O)Cl AM87903 [0,0,0,0,1,0|2,0,1]=4 30 B7R0.6 CC(C)OCC(=O)O AMY4704 [0,0,0,0,1,0|2,0,1]=4 31 B7R0.6 CN(C)CCC(=O)O AM86616 [0,0,0,0,1,0|2,0,1]=4 32 B6R0.4 C=CCCC(=O)Cl AMY808 [2,0,0,0,0,0|2,0,0]=4 33 B6R0.4 C=CCCC(=O)O AMY12553 [2,0,0,0,0,0|2,0,0]=4 34 B6R0.4 C=CCCC(C)=O AM84335 [2,0,0,0,0,0|1,0,0]=3 35 B6R0.4 C=CCOC(=O)Cl AMY3928 [2,0,0,0,0,0|1,1,0]=4 36 B6R0.4 C=CCOC(C)=O AMY22115 [2,0,0,0,0,0|0,1,0]=3 37 B6R0.4 CN(C)\C=C\C=O AM20120332 [2,0,0,0,0,0|1,0,1]=4 38 B8R0.9 CCC(=O)COC(C)=O AM20080565 [1,1,0,0,0,0|0,1,1]=4 39 B8R0.23 CC(=O)N[C@@H](C)C(C)=O AMY4869 [0,1,0,0,1,0|2,0,0]=4 40 B8R0.23 CC(=O)O[C@@H](C)C(C)=O AM20080686 [0,1,0,0,1,0|1,1,0]=4 41 B8R0.29 CC(=O)CSC(C)(C)C AMY32434 [0,1,0,0,1,0|1,0,1]=4 42 B10R0.3 CC(C)=CCC\C(C)=C\CBr AMY42104 [0,2,0,0,0,0|2,0,0]=4 43 B10R0.57 C=C(COC(C)=O)C(=O)OC AMY38462 [0,2,0,0,0,0|1,1,0]=4 44 B8R1.7 O=C(O)C1CC=CC1 AM20100760 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.3 CC1=NNC(=O)CC1 AMY24896 [0,0,0,1,1,0|2,0,0]=4 46 B8R1.3 CC1CCC(=O)CC1 AMY17977 [0,0,0,1,1,0|0,0,2]=4 47 B8R1.3 CN1CCC(=O)CC1 AM20080337 [0,0,0,1,1,0|1,0,1]=4 48 B8R1.3 C[C@@H]1C=CC(=O)CC1 AMY6166 [0,0,0,1,1,0|0,0,2]=4 49 B8R1.3 O=C1CCC(=O)NC1 AMY24844 [0,0,0,1,1,0|2,0,0]=4 50 B8R1.51 CC1(C)C=CC(=O)C1 AMY17841 [0,0,0,1,1,0|0,0,2]=4 51 B8R1.51 CC1(C)CCC(=O)C1 AMY38476 [0,0,0,1,1,0|0,0,2]=4 52 B10R1.54 CC(=O)O[C@H]1C=CC(=O)C1 AMY35665 [0,0,0,1,0,1|1,1,0]=4 53 B10R1.13 CC(=O)[C@@H]1CC=C(C)CC1 AMY10950 [0,1,0,1,0,0|1,0,0]=3 54 B6R0.2 CC(=O)C=C(C)C AMY23356 [0,0,0,0,2,0|0,0,0]=2 55 B6R0.2 CC(=O)CC(C)C AMY11098 [0,0,0,0,2,0|0,0,1]=3 56 B6R0.2 CC(=O)NC(C)C AMY3785 [0,0,0,0,2,0|1,0,1]=4 57 B6R0.2 CC(=O)\C=C(\C)N AMY24718 [0,0,0,0,2,0|1,0,0]=3 58 B6R0.2 CC(=O)\C=C(\C)[O-] AMY11696 [0,0,0,0,2,0|1,0,0]=3 59 B6R0.2 CC(=O)\C=C(\C)[O-] AMY19683 [0,0,0,0,2,0|1,0,0]=3 60 B6R0.2 CC(=O)\C=C(\C)[O-] AMY41912 [0,0,0,0,2,0|1,0,0]=3 61 B6R0.2 CC(C)CC(=O)O AMY40214 [0,0,0,0,2,0|1,0,1]=4 62 B6R0.2 CN(C)CC(=O)O AM20080064 [0,0,0,0,2,0|2,0,0]=4 63 B6R0.2 CN(C)CC(=O)O AM81799 [0,0,0,0,2,0|2,0,0]=4 64 B6R0.2 CN(C)CC(=O)[O-] AMY42162 [0,0,0,0,2,0|2,0,0]=4 65 B6R0.2 CN(C)CC(=O)[O-] AMY42163 [0,0,0,0,2,0|2,0,0]=4 66 B6R0.2 C[S+](C)CC(=O)[O-] AM90363 [0,0,0,0,2,0|2,0,0]=4