0 B7R0.4 C\C=C\CCC(=O)O SC-21245 [1,0,0,0,0,0|2,0,0]=3 1 B9R0.1 C=C\C(C)=C\CC=C(C)C SC-20483 [0,1,0,0,0,0|2,0,0]=3 2 B9R0.1 CC(C)=CCCC(C)C=O SC-79180 [0,1,0,0,0,0|1,0,1]=3 3 B9R0.7 CC(C)=CCC(N)C(=O)O SC-22867 [0,1,0,0,0,0|2,0,0]=3 4 B9R0.53 CC(C)=CC(=O)C=C(C)C SC-83781 [0,1,0,0,0,0|2,0,1]=4 5 B9R0.56 CC(=O)OCC[N+](C)(C)C SC-46171 [0,1,0,0,0,0|1,1,1]=4 6 B9R0.56 CC(=O)OCC[N+](C)(C)C SC-94067 [0,1,0,0,0,0|1,1,1]=4 7 B9R0.56 CC(=O)SCC[N+](C)(C)C SC-90575 [0,1,0,0,0,0|1,0,1]=3 8 B9R1.35 CC(=O)C1=CC=C(C)S1 SC-03600 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.49 CN1CCCC(=O)CC1 SC-01972 [0,0,0,1,0,0|2,0,1]=4 10 B9R1.53 CC(=O)OC1CC(=O)C1 SC-22301 [0,0,0,1,0,0|1,1,1]=4 11 B9R1.53 CC(=O)OC1CC(=O)N1 SC-20312 [0,0,0,1,0,0|2,1,0]=4 12 B9R1.66 CC1(C)CC(=O)CCO1 SC-22069 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.66 CC1(C)CCCC(=O)C1 SC-67598 [0,0,0,1,0,0|1,0,2]=4 14 B7R0.6 CC(=O)OCC(C)C SC-25600 [0,0,0,0,1,0|0,1,1]=3 15 B7R0.6 CC(=O)\C=C\C(=O)O SC-94119 [0,0,0,0,1,0|2,0,1]=4 16 B7R0.6 CC(=O)\C=C\N(C)C SC-92543 [0,0,0,0,1,0|1,0,1]=3 17 B7R0.6 CC(C)CCC(=O)O SC-57917 [0,0,0,0,1,0|1,0,2]=4 18 B7R0.6 CC(C)OCC(=O)O SC-88240 [0,0,0,0,1,0|2,0,1]=4 19 B7R0.6 CN(C)CCC(=O)O SC-84721 [0,0,0,0,1,0|2,0,1]=4 20 B7R0.6 CN(C)CCC(=O)O SC-98010 [0,0,0,0,1,0|2,0,1]=4 21 B7R0.6 CN(C)CCC(N)=O SC-89196 [0,0,0,0,1,0|2,0,1]=4 22 B6R0.4 C=CCCC(=O)O SC-25836 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.4 C=CCOC(=O)Cl SC-18715 [2,0,0,0,0,0|1,1,0]=4 24 B6R0.4 CN(C)CCC=O SC-12823 [2,0,0,0,0,0|1,0,1]=4 25 B6R0.4 CO\C=C\C(C)=O SC-71024 [2,0,0,0,0,0|1,0,1]=4 26 B8R0.9 COC(=O)CCC(C)=O SC-74448 [1,1,0,0,0,0|2,0,0]=4 27 B8R0.23 C=C(CC(C)C)C(C)=O SC-A2921 [0,1,0,0,1,0|1,0,1]=4 28 B10R0.96 CC(=O)CCC(=O)OC(C)C SC-94827 [0,1,0,0,0,1|1,0,1]=4 29 B10R0.3 CC(C)=CCC\C(C)=C\CO SC-22671 [0,2,0,0,0,0|1,0,1]=4 30 B8R1.7 O=C(O)C1CC=CC1 SC-25940 [1,0,0,1,0,0|2,0,0]=4 31 B8R1.3 CC1=CCC(=O)CC1 SC-25236 [0,0,0,1,1,0|0,0,0]=2 32 B8R1.3 CC1=CCC(=O)CC1 SC-83877 [0,0,0,1,1,0|0,0,0]=2 33 B8R1.3 CC1=NNC(=O)CC1 SC-73679 [0,0,0,1,1,0|2,0,0]=4 34 B8R1.3 CN1CCC(=O)CC1 SC-01124 [0,0,0,1,1,0|1,0,1]=4 35 B8R1.3 CN1CCC(=O)CC1 SC-90211 [0,0,0,1,1,0|1,0,1]=4 36 B8R1.3 O=C1CCC(=O)CC1 SC-15336 [0,0,0,1,1,0|1,0,1]=4 37 B8R1.3 O=C1CCC(=O)NC1 SC-35404 [0,0,0,1,1,0|2,0,0]=4 38 B8R1.51 CC1(C)C=CC(=O)C1 SC-91103 [0,0,0,1,1,0|0,0,2]=4 39 B8R1.51 CC1(C)CNC(=O)C1 SC-70558 [0,0,0,1,1,0|1,0,1]=4 40 B6R0.2 CC(=O)CC(C)=O SC-77723 [0,0,0,0,2,0|1,0,0]=3 41 B6R0.2 CC(=O)NC(C)C SC-A3057 [0,0,0,0,2,0|1,0,1]=4 42 B6R0.2 CC(=O)OC(C)C SC-25616 [0,0,0,0,2,0|0,1,1]=4 43 B6R0.2 CC(=O)\C=C(\C)N SC-89382 [0,0,0,0,2,0|1,0,0]=3 44 B6R0.2 CC(=O)\C=C(\C)O SC-20333 [0,0,0,0,2,0|1,0,0]=3 45 B6R0.2 CC(=O)\C=C(\C)O SC-67757 [0,0,0,0,2,0|1,0,0]=3 46 B6R0.2 CC(=O)\C=C(\C)[O-] SC-19412 [0,0,0,0,2,0|1,0,0]=3 47 B6R0.2 CC(C)=CC(=O)Cl SC-17934 [0,0,0,0,2,0|1,0,0]=3 48 B6R0.2 CC(C)=CC(=O)O SC-16257 [0,0,0,0,2,0|1,0,0]=3 49 B6R0.2 CN(C)CC(N)=O SC-89197 [0,0,0,0,2,0|2,0,0]=4 50 B6R0.2 C[S+](C)CC(=O)[O-] SC-72907 [0,0,0,0,2,0|2,0,0]=4