0 B8R0.1 C=CCC(=O)NCCC WXVL_AK00504SB2732 [0,1,0,0,0,0|2,0,0]=3 1 B8R0.1 C=CCC(=O)NCCC WXVL_AK00504SB2732 [0,1,0,0,0,0|2,0,0]=3 2 B8R0.1 C=CCC(=O)NCCF WXVL_AK00466SB2732 [0,1,0,0,0,0|3,0,0]=4 3 B8R0.1 C=CCC(=O)NCCF WXVL_AK00466SB2732 [0,1,0,0,0,0|3,0,0]=4 4 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [0,1,0,0,0,0|3,0,0]=4 5 B8R0.1 C=CCCC(=O)NCC WXVL_AK00476SB1035 [0,1,0,0,0,0|3,0,0]=4 6 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [0,1,0,0,0,0|2,0,0]=3 7 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [0,1,0,0,0,0|2,0,0]=3 8 B8R0.1 C=CCNC(=O)COC WXVL_AK00561SB0090 [0,1,0,0,0,0|3,0,0]=4 9 B8R0.1 C=CCNC(=O)COC WXVL_AK00561SB0090 [0,1,0,0,0,0|3,0,0]=4 10 B8R0.1 C=CCNC(=O)CSC WXVL_AK00561SB1267 [0,1,0,0,0,0|3,0,0]=4 11 B8R0.1 C=CCNC(=O)CSC WXVL_AK00561SB1267 [0,1,0,0,0,0|3,0,0]=4 12 B8R0.6 C=CCCNC(=O)CC WXVL_AK00138SB0064 [0,1,0,0,0,0|2,0,1]=4 13 B8R0.6 C=CCCNC(=O)CC WXVL_AK00138SB0064 [0,1,0,0,0,0|2,0,1]=4 14 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [1,1,0,0,0,0|1,0,1]=4 15 B7R0.3 C=CCNC(=O)CC WXVL_AK00561SB0064 [1,1,0,0,0,0|1,0,1]=4 16 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [1,1,0,0,0,0|2,0,0]=4 17 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [1,1,0,0,0,0|2,0,0]=4 18 B9R0.4 C=CCNC(=O)CC(C)C WXVL_AK00561SB0063 [0,2,0,0,0,0|2,0,0]=4 19 B9R0.4 C=CCNC(=O)CC(C)C WXVL_AK00561SB0063 [0,2,0,0,0,0|2,0,0]=4 20 B9R0.4 C=CCNC(=O)CC(C)O WXVL_AK00561SB3643 [0,2,0,0,0,0|2,0,0]=4 21 B9R0.4 C=CCNC(=O)CC(C)O WXVL_AK00561SB3643 [0,2,0,0,0,0|2,0,0]=4 22 B9R0.5 C=CCC(=O)NCCCC WXVL_AK00588SB2732 [0,2,0,0,0,0|2,0,0]=4 23 B9R0.5 C=CCC(=O)NCCCC WXVL_AK00588SB2732 [0,2,0,0,0,0|2,0,0]=4 24 B9R0.5 C=CCC(=O)NCCCO WXVL_AK0073SB2732 [0,2,0,0,0,0|2,0,0]=4 25 B9R0.5 C=CCC(=O)NCCCO WXVL_AK0073SB2732 [0,2,0,0,0,0|2,0,0]=4 26 B9R0.5 C=CCC(=O)NCCSC WXVL_AK00440SB2732 [0,2,0,0,0,0|2,0,0]=4 27 B9R0.5 C=CCC(=O)NCCSC WXVL_AK00440SB2732 [0,2,0,0,0,0|2,0,0]=4 28 B9R0.5 C=CCCNC(=O)CCC WXVL_AK00138SB0073 [0,2,0,0,0,0|2,0,0]=4 29 B9R0.5 C=CCCNC(=O)CCC WXVL_AK00138SB0073 [0,2,0,0,0,0|2,0,0]=4 30 B9R0.8 C=CCNC(=O)C(C)CC WXVL_AK00561SB0054 [0,2,0,0,0,0|2,0,0]=4 31 B9R0.8 C=CCNC(=O)C(C)CC WXVL_AK00561SB0054 [0,2,0,0,0,0|2,0,0]=4 32 B9R0.8 C=CCNC(=O)[C@@H](O)CC WXVL_AK00561SB3573 [0,2,0,0,0,0|2,0,0]=4 33 B9R0.8 C=CCNC(=O)[C@@H](O)CC WXVL_AK00561SB3573 [0,2,0,0,0,0|2,0,0]=4 34 B9R0.8 C=CCNC(=O)[C@H](C)CC WXVL_AK00561SB00054 [0,2,0,0,0,0|2,0,0]=4 35 B9R0.8 C=CCNC(=O)[C@H](C)CC WXVL_AK00561SB00054 [0,2,0,0,0,0|2,0,0]=4 36 B9R0.18 C=CCCC(=O)NCCC WXVL_AK00504SB1035 [0,2,0,0,0,0|2,0,0]=4 37 B9R0.18 C=CCCC(=O)NCCC WXVL_AK00504SB1035 [0,2,0,0,0,0|2,0,0]=4 38 B9R0.18 C=CCNC(=O)CCOC WXVL_AK00561SB0156 [0,2,0,0,0,0|2,0,0]=4 39 B9R0.18 C=CCNC(=O)CCOC WXVL_AK00561SB0156 [0,2,0,0,0,0|2,0,0]=4 40 B9R0.18 C=CCNC(=O)CCSC WXVL_AK00561SB0361 [0,2,0,0,0,0|2,0,0]=4 41 B9R0.18 C=CCNC(=O)CCSC WXVL_AK00561SB0361 [0,2,0,0,0,0|2,0,0]=4 42 B9R0.18 C=CCNC(=O)COCC WXVL_AK00561SB0091 [0,2,0,0,0,0|2,0,0]=4 43 B9R0.18 C=CCNC(=O)COCC WXVL_AK00561SB0091 [0,2,0,0,0,0|2,0,0]=4 44 B9R0.18 C=CCNC(=O)CSCC WXVL_AK00561SB0002 [0,2,0,0,0,0|2,0,0]=4 45 B9R0.18 C=CCNC(=O)CSCC WXVL_AK00561SB0002 [0,2,0,0,0,0|2,0,0]=4 46 B9R0.34 C=CC(C)NC(=O)CCC WXVL_AK00769SB0073 [0,2,0,0,0,0|2,0,0]=4 47 B9R0.34 C=CC(C)NC(=O)CCC WXVL_AK00769SB0073 [0,2,0,0,0,0|2,0,0]=4 48 B9R0.34 C=CCC(=O)N[C@@H](C)CC WXVL_AK00678SB2732 [0,2,0,0,0,0|2,0,0]=4 49 B9R0.34 C=CCC(=O)N[C@@H](C)CC WXVL_AK00678SB2732 [0,2,0,0,0,0|2,0,0]=4 50 B9R0.48 C=C(C)CNC(=O)CCC WXVL_AK0761SB0073 [0,2,0,0,0,0|2,0,0]=4 51 B9R0.48 C=C(C)CNC(=O)CCC WXVL_AK0761SB0073 [0,2,0,0,0,0|2,0,0]=4 52 B9R0.48 C=CCC(=O)NCC(C)C WXVL_AK00544SB2732 [0,2,0,0,0,0|2,0,0]=4 53 B9R0.48 C=CCC(=O)NCC(C)C WXVL_AK00544SB2732 [0,2,0,0,0,0|2,0,0]=4 54 B9R0.48 C=CCC(=O)NCC(C)O WXVL_AK0052SB2732 [0,2,0,0,0,0|2,0,0]=4 55 B9R0.48 C=CCC(=O)NCC(C)O WXVL_AK0052SB2732 [0,2,0,0,0,0|2,0,0]=4 56 B9R0.48 C=CCC(=O)NC[C@H](C)O WXVL_AK0113SB2732 [0,2,0,0,0,0|2,0,0]=4 57 B9R0.48 C=CCC(=O)NC[C@H](C)O WXVL_AK0113SB2732 [0,2,0,0,0,0|2,0,0]=4 58 B9R0.66 C=CCNS(=O)(=O)CCC WXVL_AK00561HU0030 [0,2,0,0,0,0|1,0,1]=4 59 B9R0.66 C=CCNS(=O)(=O)CCC WXVL_AK00561HU0030 [0,2,0,0,0,0|1,0,1]=4 60 B9R0.66 C=CCS(=O)(=O)NCCC WXVL_AK00504HU0152 [0,2,0,0,0,0|1,0,1]=4 61 B9R0.66 C=CCS(=O)(=O)NCCC WXVL_AK00504HU0152 [0,2,0,0,0,0|1,0,1]=4 62 B9R1.75 C=CCC(=O)NC1CC1 WXVL_AK0001SB2732 [0,1,0,1,0,0|2,0,0]=4 63 B9R1.75 C=CCC(=O)NC1CC1 WXVL_AK0001SB2732 [0,1,0,1,0,0|2,0,0]=4 64 B9R1.100 C=CCNC(=O)C1CC1 WXVL_AK00561SB0038 [0,1,0,1,0,0|2,0,0]=4 65 B9R1.100 C=CCNC(=O)C1CC1 WXVL_AK00561SB0038 [0,1,0,1,0,0|2,0,0]=4