0 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [0,0,0,0,0,0|1,0,3]=4 1 B6R0.1 CCCC(=O)NC WXVL_AK00442SB0073 [0,0,0,0,0,0|1,0,3]=4 2 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [1,0,0,0,0,0|1,0,2]=4 3 B5R0.1 CCCC(=O)N WXVL_AK0084SB0073 [1,0,0,0,0,0|1,0,2]=4 4 B7R0.2 C=CC(C)NC(=O)C WXVL_AK00769SB0150 [0,1,0,0,0,0|2,0,1]=4 5 B7R0.2 C=CC(C)NC(=O)C WXVL_AK00769SB0150 [0,1,0,0,0,0|2,0,1]=4 6 B7R0.5 C=C(F)C(=O)NCC WXVL_AK00476SB1376 [0,1,0,0,0,0|1,0,2]=4 7 B7R0.5 C=C(F)C(=O)NCC WXVL_AK00476SB1376 [0,1,0,0,0,0|1,0,2]=4 8 B7R0.5 CCCC(C)C(=O)N WXVL_AK0084SB0352 [0,1,0,0,0,0|2,0,0]=3 9 B7R0.5 CCCC(C)C(=O)N WXVL_AK0084SB0352 [0,1,0,0,0,0|2,0,0]=3 10 B7R0.5 CCC[C@H](O)C(=O)N WXVL_AK0084SB3627 [0,1,0,0,0,0|1,0,0]=2 11 B7R0.5 CCC[C@H](O)C(=O)N WXVL_AK0084SB3627 [0,1,0,0,0,0|1,0,0]=2 12 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [0,1,0,0,0,0|1,0,2]=4 13 B7R0.7 C/C=C/C(=O)NCC WXVL_AK00476SB0340 [0,1,0,0,0,0|1,0,2]=4 14 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [0,1,0,0,0,0|1,0,2]=4 15 B7R0.7 C=CCC(=O)NCC WXVL_AK00476SB2732 [0,1,0,0,0,0|1,0,2]=4 16 B8R0.5 CCC[C@H](C)NC(=O)C WXVL_AK00682SB0150 [0,2,0,0,0,0|1,0,1]=4 17 B8R0.5 CCC[C@H](C)NC(=O)C WXVL_AK00682SB0150 [0,2,0,0,0,0|1,0,1]=4 18 B8R0.16 C=C[C@@H](CO)NC(=O)C WXVL_AK00581SB0150 [0,2,0,0,0,0|1,0,1]=4 19 B8R0.16 C=C[C@@H](CO)NC(=O)C WXVL_AK00581SB0150 [0,2,0,0,0,0|1,0,1]=4 20 B8R0.19 C=CC(C)NC(=O)CC WXVL_AK00769SB0064 [0,2,0,0,0,0|1,0,1]=4 21 B8R0.19 C=CC(C)NC(=O)CC WXVL_AK00769SB0064 [0,2,0,0,0,0|1,0,1]=4 22 B8R0.23 CC(C)CC(O)C(=O)N WXVL_AK0084SB4281 [0,2,0,0,0,0|1,0,0]=3 23 B8R0.23 CC(C)CC(O)C(=O)N WXVL_AK0084SB4281 [0,2,0,0,0,0|1,0,0]=3 24 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [0,2,0,0,0,0|0,0,2]=4 25 B8R0.1 C/C=C/C(=O)NCCC WXVL_AK00504SB0340 [0,2,0,0,0,0|0,0,2]=4 26 B8R0.1 C=CCC(=O)NCCC WXVL_AK00504SB2732 [0,2,0,0,0,0|0,0,2]=4 27 B8R0.1 C=CCC(=O)NCCC WXVL_AK00504SB2732 [0,2,0,0,0,0|0,0,2]=4 28 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [0,2,0,0,0,0|0,0,2]=4 29 B8R0.1 C=CCNC(=O)CCC WXVL_AK00561SB0073 [0,2,0,0,0,0|0,0,2]=4 30 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [0,2,0,0,0,0|1,0,1]=4 31 B8R0.3 CCCC(C)C(=O)NC WXVL_AK00442SB0352 [0,2,0,0,0,0|1,0,1]=4 32 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [0,2,0,0,0,0|0,0,1]=3 33 B8R0.3 CCC[C@H](O)C(=O)NC WXVL_AK00442SB3627 [0,2,0,0,0,0|0,0,1]=3 34 B8R0.8 C=C(F)C(=O)NCCC WXVL_AK00504SB1376 [0,2,0,0,0,0|0,0,2]=4 35 B8R0.8 C=C(F)C(=O)NCCC WXVL_AK00504SB1376 [0,2,0,0,0,0|0,0,2]=4 36 B8R0.8 CCCCC(O)C(=O)N WXVL_AK0084SB3429 [0,2,0,0,0,0|1,0,0]=3 37 B8R0.8 CCCCC(O)C(=O)N WXVL_AK0084SB3429 [0,2,0,0,0,0|1,0,0]=3 38 B8R0.12 CCCC(C)(C)C(=O)N WXVL_AK0084SB0372 [0,2,0,0,0,0|2,0,0]=4 39 B8R0.12 CCCC(C)(C)C(=O)N WXVL_AK0084SB0372 [0,2,0,0,0,0|2,0,0]=4 40 B8R1.7 NC(=O)C1CCCC1 WXVL_AK0084SB0043 [0,1,0,1,0,0|2,0,0]=4 41 B8R1.7 NC(=O)C1CCCC1 WXVL_AK0084SB0043 [0,1,0,1,0,0|2,0,0]=4 42 B8R1.7 NC(=O)C1CCCO1 WXVL_AK0084SB1033 [0,1,0,1,0,0|1,0,0]=3 43 B8R1.7 NC(=O)C1CCCO1 WXVL_AK0084SB1033 [0,1,0,1,0,0|1,0,0]=3 44 B8R1.7 NC(=O)C1CCCS1 WXVL_AK0084SB0022 [0,1,0,1,0,0|1,1,0]=4 45 B8R1.7 NC(=O)C1CCCS1 WXVL_AK0084SB0022 [0,1,0,1,0,0|1,1,0]=4 46 B8R1.7 NC(=O)[C@H]1CCCO1 WXVL_AK0084SB00043 [0,1,0,1,0,0|1,0,0]=3 47 B8R1.7 NC(=O)[C@H]1CCCO1 WXVL_AK0084SB00043 [0,1,0,1,0,0|1,0,0]=3 48 B8R1.78 CC1(CCC1)C(=O)N WXVL_AK0084SB0805 [0,1,0,1,0,0|2,0,0]=4 49 B8R1.78 CC1(CCC1)C(=O)N WXVL_AK0084SB0805 [0,1,0,1,0,0|2,0,0]=4 50 B8R1.78 NC(=O)C1(CCC1)Br WXVL_AK0084SB0465 [0,1,0,1,0,0|2,0,0]=4 51 B8R1.78 NC(=O)C1(CCC1)Br WXVL_AK0084SB0465 [0,1,0,1,0,0|2,0,0]=4 52 B8R1.78 NC(=O)C1(CCC1)F WXVL_AK0084SB0033 [0,1,0,1,0,0|2,0,0]=4 53 B8R1.78 NC(=O)C1(CCC1)F WXVL_AK0084SB0033 [0,1,0,1,0,0|2,0,0]=4