0 B8R0.29 CC(C)(C)OCC(=O)O Z362795372 [0,0,0,0,0,0|4,0,0]=4 1 B8R0.29 CS(=O)(=O)CCC(=O)O Z295403530 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.29 NS(=O)(=O)CCC(=O)O Z327222556 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.29 NS(=O)(=O)NCC(=O)O Z295879318 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.29 O=C(O)CCS(=O)(=O)[O-] Z2301438443 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.6 CC(=O)CCC(=O)O Z104477318 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.6 CC(=O)NCC(=O)O Z85886676 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.6 CC(C)OCC(=O)O Z316259244 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.6 CC(O)CCC(=O)O Z838959470 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.6 CS(=O)CCC(=O)O Z667974346 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.6 NC(=O)NCC(=O)O Z57009586 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.6 O=C(O)/C=C/C(=O)O Z57127460 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.6 O=C(O)CCC(=O)O Z57127453 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.6 O=C(O)CN[N+](=O)[O-] Z1198158238 [1,0,0,0,0,0|1,1,1]=4 14 B9R0.10 C/C(=C\C(=O)O)/P(=O)(O)O Z1262523268 [0,1,0,0,0,0|1,0,1]=3 15 B9R0.57 C=C(OP(=O)([O-])O)C(=O)O Z2429425999 [0,1,0,0,0,0|0,0,2]=3 16 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Z1198149799 [0,1,0,0,0,0|2,0,1]=4 17 B9R0.57 O=C(O)C(O)CS(=O)(=O)O Z1198232967 [0,1,0,0,0,0|2,0,1]=4 18 B7R0.9 CC(C)(O)CC(=O)O Z982131798 [0,0,0,0,1,0|3,0,0]=4 19 B7R0.9 CP(=O)([O-])CC(=O)[O-] Z2939810747 [0,0,0,0,1,0|1,0,2]=4 20 B7R0.9 CS(=O)(=O)CC(=O)O Z295402410 [0,0,0,0,1,0|2,0,1]=4 21 B7R0.9 NS(=O)(=O)CC(=O)O Z331472332 [0,0,0,0,1,0|2,0,1]=4 22 B7R0.9 O=C(O)CP(=O)(O)O Z277558864 [0,0,0,0,1,0|0,0,0]=1 23 B9R0.56 O=C(O)CCCP(=O)(O)O Z1255431129 [0,0,0,0,0,1|1,0,0]=2 24 B9R0.56 O=C(O)CNCP(=O)(O)O Z3225522739 [0,0,0,0,0,1|1,0,0]=2 25 B6R0.4 CCOCC(=O)O Z104495232 [2,0,0,0,0,0|2,0,0]=4 26 B6R0.5 N#CCP(=O)(O)O Z3025383580 [2,0,0,0,0,0|1,0,1]=4 27 B8R0.9 COC(=O)CCC(=O)O Z57663583 [1,1,0,0,0,0|2,0,0]=4 28 B8R0.9 COC(=O)NCC(=O)O Z111492620 [1,1,0,0,0,0|2,0,0]=4 29 B8R0.23 C=C(CC(=O)O)C(=O)O Z57127539 [1,1,0,0,0,0|2,0,0]=4 30 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [1,1,0,0,0,0|2,0,0]=4 31 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [1,1,0,0,0,0|2,0,0]=4 32 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [1,1,0,0,0,0|2,0,0]=4 33 B8R0.23 O=C(O)CC(=O)C(=O)O Z271128590 [1,1,0,0,0,0|2,0,0]=4 34 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [1,1,0,0,0,0|2,0,0]=4 35 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [1,1,0,0,0,0|2,0,0]=4 36 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [1,1,0,0,0,0|2,0,0]=4 37 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [1,1,0,0,0,0|2,0,0]=4 38 B8R0.21 NCCCOP(=O)(O)O Z1198158583 [1,1,0,0,0,0|1,0,1]=4 39 B8R0.27 CC(C(=O)O)S(=O)(=O)O Z1262510815 [0,1,0,0,1,0|1,0,1]=4 40 B8R0.27 CC(O)C(O)P(=O)(O)O Z2050515563 [0,1,0,0,1,0|1,0,1]=4 41 B8R0.27 CP(=O)(C)C(O)C(=O)O Z1262512998 [0,1,0,0,1,0|2,0,0]=4 42 B10R0.92 CP(=O)(O)CCC(N)C(=O)O Z2737639744 [0,1,0,0,0,1|2,0,0]=4 43 B10R0.114 O=P(O)(O)CC(O)P(=O)(O)O Z1954805971 [0,2,0,0,0,0|2,0,0]=4 44 B8R1.3 O=C1COC(=O)CO1 Z1201618919 [1,0,0,1,0,0|2,0,0]=4 45 B6R0.2 NC(=O)CC(=O)O Z963467736 [1,0,0,0,1,0|2,0,0]=4 46 B6R0.2 O=C(O)CC(=O)O Z57965450 [1,0,0,0,1,0|1,0,0]=3 47 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [1,0,0,0,0,1|2,0,0]=4 48 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [1,0,0,0,0,1|2,0,0]=4 49 B8R0.28 O=C(O)CNCC(=O)O Z104476528 [1,0,0,0,0,1|2,0,0]=4 50 B8R0.28 O=C(O)COCC(=O)O Z57965384 [1,0,0,0,0,1|1,0,0]=3 51 B8R0.28 O=C(O)CSCC(=O)O Z104478584 [1,0,0,0,0,1|1,1,0]=4