0 B7R0.3 C=CCNC(=O)CO WXVL_AK00561SB2706 [0,1,0,0,0,0|1,0,2]=4 1 B7R0.3 C=CCNC(=O)CO WXVL_AK00561SB2706 [0,1,0,0,0,0|1,0,2]=4 2 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,1,0,0,0,0|2,0,1]=4 3 B7R0.3 CCC(=O)NCCF WXVL_AK00466SB0064 [0,1,0,0,0,0|2,0,1]=4 4 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,1,0,0,0,0|2,0,1]=4 5 B7R0.3 CCCNC(=O)CC WXVL_AK00504SB0064 [0,1,0,0,0,0|2,0,1]=4 6 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,1,0,0,0,0|1,0,1]=3 7 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,1,0,0,0,0|1,0,1]=3 8 B7R0.3 N#CCNC(=O)CO WXVL_AK0683SB2706 [0,1,0,0,0,0|1,0,2]=4 9 B7R0.3 N#CCNC(=O)CO WXVL_AK0683SB2706 [0,1,0,0,0,0|1,0,2]=4 10 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [0,1,0,0,0,0|1,0,1]=3 11 B7R0.3 O=C(CO)NCCF WXVL_AK00466SB2706 [0,1,0,0,0,0|1,0,1]=3 12 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [1,1,0,0,0,0|1,0,1]=4 13 B6R0.1 CCNC(=O)CC WXVL_AK00476SB0064 [1,1,0,0,0,0|1,0,1]=4 14 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [1,1,0,0,0,0|0,0,1]=3 15 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [1,1,0,0,0,0|0,0,1]=3 16 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,1,0,0,0,0|1,0,1]=4 17 B6R0.4 CC(=O)NCCF WXVL_AK00466SB0150 [1,1,0,0,0,0|1,0,1]=4 18 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,1,0,0,0,0|1,0,1]=4 19 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,1,0,0,0,0|1,0,1]=4 20 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [0,2,0,0,0,0|2,0,0]=4 21 B8R0.1 CCCC(=O)NCCF WXVL_AK00466SB0073 [0,2,0,0,0,0|2,0,0]=4 22 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,2,0,0,0,0|2,0,0]=4 23 B8R0.1 CCCNC(=O)CCC WXVL_AK00504SB0073 [0,2,0,0,0,0|2,0,0]=4 24 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [0,2,0,0,0,0|1,0,1]=4 25 B8R0.1 CCCNC(=O)COC WXVL_AK00504SB0090 [0,2,0,0,0,0|1,0,1]=4 26 B8R0.1 COCC(=O)NCCF WXVL_AK00466SB0090 [0,2,0,0,0,0|1,0,1]=4 27 B8R0.1 COCC(=O)NCCF WXVL_AK00466SB0090 [0,2,0,0,0,0|1,0,1]=4 28 B8R0.6 C#CCCNC(=O)CO WXVL_AK3109SB2706 [0,2,0,0,0,0|1,0,1]=4 29 B8R0.6 C#CCCNC(=O)CO WXVL_AK3109SB2706 [0,2,0,0,0,0|1,0,1]=4 30 B8R0.6 C=CCCNC(=O)CO WXVL_AK00138SB2706 [0,2,0,0,0,0|1,0,1]=4 31 B8R0.6 C=CCCNC(=O)CO WXVL_AK00138SB2706 [0,2,0,0,0,0|1,0,1]=4 32 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,2,0,0,0,0|1,0,1]=4 33 B8R0.6 CCC(=O)NCCCO WXVL_AK0073SB0064 [0,2,0,0,0,0|1,0,1]=4 34 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,2,0,0,0,0|1,0,1]=4 35 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,2,0,0,0,0|1,0,1]=4 36 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,2,0,0,0,0|0,1,1]=4 37 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,2,0,0,0,0|0,1,1]=4 38 B8R0.6 N#CCCNC(=O)CO WXVL_AK0087SB2706 [0,2,0,0,0,0|1,0,1]=4 39 B8R0.6 N#CCCNC(=O)CO WXVL_AK0087SB2706 [0,2,0,0,0,0|1,0,1]=4 40 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [0,2,0,0,0,0|0,0,1]=3 41 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [0,2,0,0,0,0|0,0,1]=3 42 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [0,2,0,0,0,0|1,0,1]=4 43 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [0,2,0,0,0,0|1,0,1]=4 44 B8R0.3 CCC(=O)N(C)CCO WXVL_AN2670SB0064 [0,2,0,0,0,0|1,0,1]=4 45 B8R0.3 CCC(=O)N(C)CCO WXVL_AN2670SB0064 [0,2,0,0,0,0|1,0,1]=4 46 B8R0.3 CN(CCO)C(=O)CO WXVL_AN2670SB2706 [0,2,0,0,0,0|0,0,1]=3 47 B8R0.3 CN(CCO)C(=O)CO WXVL_AN2670SB2706 [0,2,0,0,0,0|0,0,1]=3 48 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [0,2,0,0,0,0|1,0,1]=4 49 B8R0.8 CCCNC(=O)[C@@H](C)O WXVL_AK00504SB1085 [0,2,0,0,0,0|1,0,1]=4 50 B8R0.8 C[C@@H](O)C(=O)NCCF WXVL_AK00466SB1085 [0,2,0,0,0,0|1,0,1]=4 51 B8R0.8 C[C@@H](O)C(=O)NCCF WXVL_AK00466SB1085 [0,2,0,0,0,0|1,0,1]=4 52 B8R0.9 CC(C)CNC(=O)CO WXVL_AK00544SB2706 [0,2,0,0,0,0|1,0,1]=4 53 B8R0.9 CC(C)CNC(=O)CO WXVL_AK00544SB2706 [0,2,0,0,0,0|1,0,1]=4 54 B8R0.9 CC(O)CNC(=O)CO WXVL_AK0052SB2706 [0,2,0,0,0,0|0,0,1]=3 55 B8R0.9 CC(O)CNC(=O)CO WXVL_AK0052SB2706 [0,2,0,0,0,0|0,0,1]=3 56 B8R0.9 CCC(=O)NCC(C)O WXVL_AK0052SB0064 [0,2,0,0,0,0|1,0,1]=4 57 B8R0.9 CCC(=O)NCC(C)O WXVL_AK0052SB0064 [0,2,0,0,0,0|1,0,1]=4 58 B8R0.9 CCC(=O)NC[C@H](C)O WXVL_AK0113SB0064 [0,2,0,0,0,0|1,0,1]=4 59 B8R0.9 CCC(=O)NC[C@H](C)O WXVL_AK0113SB0064 [0,2,0,0,0,0|1,0,1]=4 60 B8R0.9 C[C@H](O)CNC(=O)CO WXVL_AK0113SB2706 [0,2,0,0,0,0|0,0,1]=3 61 B8R0.9 C[C@H](O)CNC(=O)CO WXVL_AK0113SB2706 [0,2,0,0,0,0|0,0,1]=3 62 B8R0.9 O=C(CO)NCC(F)F WXVL_AK0136SB2706 [0,2,0,0,0,0|1,0,1]=4 63 B8R0.9 O=C(CO)NCC(F)F WXVL_AK0136SB2706 [0,2,0,0,0,0|1,0,1]=4 64 B8R0.19 CCC(=O)N[C@@H](C)CO WXVL_AK0109SB0064 [0,2,0,0,0,0|1,0,1]=4 65 B8R0.19 CCC(=O)N[C@@H](C)CO WXVL_AK0109SB0064 [0,2,0,0,0,0|1,0,1]=4 66 B8R0.19 CC[C@H](C)NC(=O)CO WXVL_AK00678SB2706 [0,2,0,0,0,0|1,0,1]=4 67 B8R0.19 CC[C@H](C)NC(=O)CO WXVL_AK00678SB2706 [0,2,0,0,0,0|1,0,1]=4 68 B8R0.19 C[C@@H](CF)NC(=O)CO WXVL_AK00558SB2706 [0,2,0,0,0,0|1,0,1]=4 69 B8R0.19 C[C@@H](CF)NC(=O)CO WXVL_AK00558SB2706 [0,2,0,0,0,0|1,0,1]=4 70 B8R0.19 C[C@@H](CO)NC(=O)CO WXVL_AK0109SB2706 [0,2,0,0,0,0|0,0,1]=3 71 B8R0.19 C[C@@H](CO)NC(=O)CO WXVL_AK0109SB2706 [0,2,0,0,0,0|0,0,1]=3 72 B8R1.40 O=C(CO)NC1CC1 WXVL_AK0001SB2706 [0,1,0,1,0,0|1,0,1]=4 73 B8R1.40 O=C(CO)NC1CC1 WXVL_AK0001SB2706 [0,1,0,1,0,0|1,0,1]=4