0 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,1,0,0,0,0|2,0,1]=4 1 B7R0.3 CCCNC(=O)CO WXVL_AK00504SB2706 [0,1,0,0,0,0|2,0,1]=4 2 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,1,0,0,0,0|2,0,1]=4 3 B7R0.3 CNC(=O)CCSC WXVL_AK00442SB0361 [0,1,0,0,0,0|2,0,1]=4 4 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [0,1,0,0,0,0|2,0,0]=3 5 B7R0.4 CC(=O)NCCCO WXVL_AK0073SB0150 [0,1,0,0,0,0|2,0,0]=3 6 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [0,1,0,0,0,0|3,0,0]=4 7 B7R0.4 CCCCNC(=O)C WXVL_AK00588SB0150 [0,1,0,0,0,0|3,0,0]=4 8 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [0,1,0,0,0,0|1,0,2]=4 9 B7R0.4 CSCCNC(=O)C WXVL_AK00440SB0150 [0,1,0,0,0,0|1,0,2]=4 10 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [0,1,0,0,0,0|3,0,0]=4 11 B7R0.4 NC(=O)CCCCBr WXVL_AK0084SB3153 [0,1,0,0,0,0|3,0,0]=4 12 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [0,1,0,0,0,0|3,0,0]=4 13 B7R0.4 NC(=O)CCCCCl WXVL_AK0084SB0379 [0,1,0,0,0,0|3,0,0]=4 14 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [0,1,0,0,0,0|2,0,1]=4 15 B7R0.7 CCNC(=O)CSC WXVL_AK00476SB1267 [0,1,0,0,0,0|2,0,1]=4 16 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [1,1,0,0,0,0|1,0,1]=4 17 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [1,1,0,0,0,0|1,0,1]=4 18 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [1,1,0,0,0,0|1,0,1]=4 19 B6R0.1 CCNC(=O)CO WXVL_AK00476SB2706 [1,1,0,0,0,0|1,0,1]=4 20 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [1,1,0,0,0,0|1,0,1]=4 21 B6R0.1 CNC(=O)CSC WXVL_AK00442SB1267 [1,1,0,0,0,0|1,0,1]=4 22 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,1,0,0,0,0|2,0,0]=4 23 B6R0.4 CCCNC(=O)C WXVL_AK00504SB0150 [1,1,0,0,0,0|2,0,0]=4 24 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [1,1,0,0,0,0|0,0,2]=4 25 B6R0.4 CSCCC(=O)N WXVL_AK0084SB0361 [1,1,0,0,0,0|0,0,2]=4 26 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [0,2,0,0,0,0|1,0,1]=4 27 B8R0.1 CCCNC(=O)CSC WXVL_AK00504SB1267 [0,2,0,0,0,0|1,0,1]=4 28 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,2,0,0,0,0|1,0,1]=4 29 B8R0.1 CCNC(=O)CCSC WXVL_AK00476SB0361 [0,2,0,0,0,0|1,0,1]=4 30 B8R0.1 CSCC(=O)NCCF WXVL_AK00466SB1267 [0,2,0,0,0,0|1,0,1]=4 31 B8R0.1 CSCC(=O)NCCF WXVL_AK00466SB1267 [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 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,2,0,0,0,0|1,0,1]=4 35 B8R0.6 CCC(=O)NCCSC WXVL_AK00440SB0064 [0,2,0,0,0,0|1,0,1]=4 36 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,2,0,0,0,0|1,0,1]=4 37 B8R0.6 CCCCNC(=O)CO WXVL_AK00588SB2706 [0,2,0,0,0,0|1,0,1]=4 38 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [0,2,0,0,0,0|2,0,0]=4 39 B8R0.6 CNC(=O)CCCCBr WXVL_AK00442SB3153 [0,2,0,0,0,0|2,0,0]=4 40 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [0,2,0,0,0,0|2,0,0]=4 41 B8R0.6 CNC(=O)CCCCCl WXVL_AK00442SB0379 [0,2,0,0,0,0|2,0,0]=4 42 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,2,0,0,0,0|0,0,1]=3 43 B8R0.6 CSCCNC(=O)CO WXVL_AK00440SB2706 [0,2,0,0,0,0|0,0,1]=3 44 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [0,2,0,0,0,0|2,0,0]=4 45 B8R0.6 O=C(CO)NCCCO WXVL_AK0073SB2706 [0,2,0,0,0,0|2,0,0]=4 46 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [0,2,0,0,0,0|1,0,0]=3 47 B8R0.7 CC(=O)NCCCCO WXVL_AK0075SB0150 [0,2,0,0,0,0|1,0,0]=3 48 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [0,2,0,0,0,0|2,0,0]=4 49 B8R0.7 CCCCCNC(=O)C WXVL_AK0076SB0150 [0,2,0,0,0,0|2,0,0]=4 50 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [0,2,0,0,0,0|2,0,0]=4 51 B8R0.7 COCCCNC(=O)C WXVL_AK00637SB0150 [0,2,0,0,0,0|2,0,0]=4 52 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [0,2,0,0,0,0|0,0,2]=4 53 B8R0.7 CSCCCNC(=O)C WXVL_AK0965SB0150 [0,2,0,0,0,0|0,0,2]=4 54 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [0,2,0,0,0,0|1,0,1]=4 55 B8R0.7 NC(=O)CCCCCO WXVL_AK0084SB2973 [0,2,0,0,0,0|1,0,1]=4 56 B8R0.9 CC(=O)NC[C@@H](F)CO WXVL_AK00590SB0150 [0,2,0,0,0,0|2,0,0]=4 57 B8R0.9 CC(=O)NC[C@@H](F)CO WXVL_AK00590SB0150 [0,2,0,0,0,0|2,0,0]=4 58 B8R0.9 CC(=O)NC[C@H](O)CO WXVL_AK00483SB0150 [0,2,0,0,0,0|2,0,0]=4 59 B8R0.9 CC(=O)NC[C@H](O)CO WXVL_AK00483SB0150 [0,2,0,0,0,0|2,0,0]=4 60 B8R0.5 CC(=O)NC(C)CCO WXVL_AK1288SB0150 [0,2,0,0,0,0|2,0,0]=4 61 B8R0.5 CC(=O)NC(C)CCO WXVL_AK1288SB0150 [0,2,0,0,0,0|2,0,0]=4 62 B8R1.7 NC(=O)C1CCCO1 WXVL_AK0084SB1033 [0,1,0,1,0,0|2,0,0]=4 63 B8R1.7 NC(=O)C1CCCO1 WXVL_AK0084SB1033 [0,1,0,1,0,0|2,0,0]=4 64 B8R1.7 NC(=O)[C@H]1CCCO1 WXVL_AK0084SB00043 [0,1,0,1,0,0|2,0,0]=4 65 B8R1.7 NC(=O)[C@H]1CCCO1 WXVL_AK0084SB00043 [0,1,0,1,0,0|2,0,0]=4