0 B9R0.56 CC(C)(C)CNCC(=O)O Z2526356733 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.56 CS(=O)(=O)CCCC(=O)O Z732206736 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.56 NS(=O)(=O)CCCC(=O)O Z351064580 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.56 O=C(O)CCCP(=O)(O)O Z1255431129 [0,0,0,0,0,0|1,0,0]=1 4 B9R0.56 O=C(O)CNCC(F)(F)F Z1259161959 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.56 O=C(O)CNCP(=O)(O)O Z3225522739 [0,0,0,0,0,0|0,0,0]=0 6 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [1,0,0,0,0,0|3,0,0]=4 7 B8R0.28 CC(C)CNCC(=O)O Z1259273209 [1,0,0,0,0,0|3,0,0]=4 8 B8R0.28 CC(O)CNCC(=O)[O-] Z3690977946 [1,0,0,0,0,0|2,0,1]=4 9 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.28 NC(=O)CNCC(=O)N Z162774608 [1,0,0,0,0,0|3,0,0]=4 11 B8R0.28 NC(=O)CNCC(=O)O Z4658099947 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.28 NC(=O)CSCC(=O)O Z19691778 [1,0,0,0,0,0|3,0,0]=4 13 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [1,0,0,0,0,0|2,0,0]=3 14 B8R0.28 O=C(O)CNCC(=O)O Z104476528 [1,0,0,0,0,0|1,0,0]=2 15 B8R0.28 O=C(O)COCC(=O)O Z57965384 [1,0,0,0,0,0|2,0,0]=3 16 B8R0.28 O=C(O)CSCC(=O)O Z104478584 [1,0,0,0,0,0|2,0,0]=3 17 B10R0.92 CP(=O)(O)CCC(N)C(=O)O Z2737639744 [0,1,0,0,0,0|2,0,0]=3 18 B8R0.29 CS(=O)(=O)CCC(=O)O Z295403530 [0,0,0,0,1,0|2,0,1]=4 19 B8R0.29 NS(=O)(=O)CCC(=O)O Z327222556 [0,0,0,0,1,0|2,0,1]=4 20 B8R0.29 NS(=O)(=O)NCC(=O)O Z295879318 [0,0,0,0,1,0|2,0,1]=4 21 B8R0.29 O=C(O)CCS(=O)(=O)[O-] Z2301438443 [0,0,0,0,1,0|1,0,2]=4 22 B7R0.4 C#CCNCC(=O)O Z2513337624 [2,0,0,0,0,0|2,0,0]=4 23 B7R0.4 C=CCNCC(=O)O Z803145546 [2,0,0,0,0,0|2,0,0]=4 24 B7R0.4 CCCNCC(=O)O Z744582718 [2,0,0,0,0,0|2,0,0]=4 25 B7R0.4 NCCNCC(=O)O Z2692249907 [2,0,0,0,0,0|2,0,0]=4 26 B7R0.4 O=C(O)CNCCO Z425411352 [2,0,0,0,0,0|1,0,0]=3 27 B9R0.1 COC(=O)CCCC(=O)O Z203045008 [1,1,0,0,0,0|2,0,0]=4 28 B9R0.1 COC(=O)CSCC(=O)O Z65933549 [1,1,0,0,0,0|2,0,0]=4 29 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [1,1,0,0,0,0|2,0,0]=4 30 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [1,1,0,0,0,0|2,0,0]=4 31 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [1,1,0,0,0,0|2,0,0]=4 32 B9R0.53 CC(CC(=O)O)CC(=O)O Z1041180516 [1,1,0,0,0,0|2,0,0]=4 33 B9R0.53 CN(CC(=O)O)CC(=O)O Z119894774 [1,1,0,0,0,0|1,0,0]=3 34 B9R0.53 O=C(O)CC(O)CC(=O)O Z1198167174 [1,1,0,0,0,0|2,0,0]=4 35 B9R0.10 C/C(=C\C(=O)O)/P(=O)(O)O Z1262523268 [0,1,0,0,1,0|0,0,2]=4 36 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Z1198149799 [0,1,0,0,1,0|1,0,1]=4 37 B9R0.57 O=C(O)C(O)CS(=O)(=O)O Z1198232967 [0,1,0,0,1,0|1,0,1]=4 38 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O Z2470415380 [1,0,0,1,0,0|2,0,0]=4 39 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O Z802856442 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O Z1201624589 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.35 O=C1CN[C@@H](C1)C(=O)O Z2902023119 [1,0,0,1,0,0|2,0,0]=4 43 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Z1198723936 [1,0,0,1,0,0|2,0,0]=4 44 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Z1955918485 [1,0,0,1,0,0|2,0,0]=4 45 B7R0.6 CC(=O)CCC(=O)O Z104477318 [1,0,0,0,1,0|2,0,0]=4 46 B7R0.6 CC(=O)NCB(O)O Z1198183387 [1,0,0,0,1,0|2,0,0]=4 47 B7R0.6 CC(=O)NCC(=O)O Z85886676 [1,0,0,0,1,0|2,0,0]=4 48 B7R0.6 CC(O)CCC(=O)O Z838959470 [1,0,0,0,1,0|2,0,0]=4 49 B7R0.6 CS(=O)CCC(=O)O Z667974346 [1,0,0,0,1,0|2,0,0]=4 50 B7R0.6 NC(=O)NCC(=O)O Z57009586 [1,0,0,0,1,0|2,0,0]=4 51 B7R0.6 O=C(O)CCC(=O)O Z57127453 [1,0,0,0,1,0|1,0,0]=3 52 B7R0.6 O=C(O)CN[N+](=O)[O-] Z1198158238 [1,0,0,0,1,0|0,1,1]=4 53 B7R0.9 O=C(O)CP(=O)(O)O Z277558864 [0,0,0,0,2,0|0,0,0]=2 54 B9R0.55 O=C(O)CCCCC(=O)O Z57127533 [1,0,0,0,0,1|2,0,0]=4