0 B10R1.18 CC(=O)NC1CCCCC1 WXVL_AK00480SB0150 [1,0,0,0,0,0|2,0,0]=3 1 B10R1.18 CC(=O)NC1CCCCC1 WXVL_AK00480SB0150 [1,0,0,0,0,0|2,0,0]=3 2 B10R1.18 CC(=O)NC1CCCOC1 WXVL_AK1073SB0150 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.18 CC(=O)NC1CCCOC1 WXVL_AK1073SB0150 [1,0,0,0,0,0|3,0,0]=4 4 B12R1.194 CCS(=O)(=O)NC1CCCCC1 WXVL_AK00480HU0028 [0,1,0,0,0,0|1,0,0]=2 5 B12R1.194 CCS(=O)(=O)NC1CCCCC1 WXVL_AK00480HU0028 [0,1,0,0,0,0|1,0,0]=2 6 B12R1.194 CCS(=O)(=O)NC1CCCOC1 WXVL_AK1073HU0028 [0,1,0,0,0,0|2,0,0]=3 7 B12R1.194 CCS(=O)(=O)NC1CCCOC1 WXVL_AK1073HU0028 [0,1,0,0,0,0|2,0,0]=3 8 B10R1.28 NS(=O)(=O)C1CCCCC1 WXVL_AK0084HU0143 [0,0,0,0,1,0|1,0,0]=2 9 B10R1.28 NS(=O)(=O)C1CCCCC1 WXVL_AK0084HU0143 [0,0,0,0,1,0|1,0,0]=2 10 B10R1.28 NS(=O)(=O)C1CCOCC1 WXVL_AK0084HU0151 [0,0,0,0,1,0|2,0,0]=3 11 B10R1.28 NS(=O)(=O)C1CCOCC1 WXVL_AK0084HU0151 [0,0,0,0,1,0|2,0,0]=3 12 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [1,0,1,0,0,0|2,0,0]=4 13 B9R0.2 CCCCCCNC(=O)C WXVL_AK0286SB0150 [1,0,1,0,0,0|2,0,0]=4 14 B11R0.281 CCC[C@@H](CO)NS(=O)(=O)CC WXVL_AK2551HU0028 [0,1,1,0,0,0|2,0,0]=4 15 B11R0.281 CCC[C@@H](CO)NS(=O)(=O)CC WXVL_AK2551HU0028 [0,1,1,0,0,0|2,0,0]=4 16 B11R0.49 CCCCCCNS(=O)(=O)CC WXVL_AK0286HU0028 [0,1,1,0,0,0|1,0,0]=3 17 B11R0.49 CCCCCCNS(=O)(=O)CC WXVL_AK0286HU0028 [0,1,1,0,0,0|1,0,0]=3 18 B11R0.49 CCOCCCNS(=O)(=O)CC WXVL_AK0072HU0028 [0,1,1,0,0,0|2,0,0]=4 19 B11R0.49 CCOCCCNS(=O)(=O)CC WXVL_AK0072HU0028 [0,1,1,0,0,0|2,0,0]=4 20 B11R0.49 CCS(=O)(=O)NCCCCCO WXVL_AK0077HU0028 [0,1,1,0,0,0|2,0,0]=4 21 B11R0.49 CCS(=O)(=O)NCCCCCO WXVL_AK0077HU0028 [0,1,1,0,0,0|2,0,0]=4 22 B11R0.159 CCCCCCCCS(=O)(=O)N WXVL_AK0084HU0331 [0,1,1,0,0,0|2,0,0]=4 23 B11R0.159 CCCCCCCCS(=O)(=O)N WXVL_AK0084HU0331 [0,1,1,0,0,0|2,0,0]=4 24 B11R1.40 C#CC(=O)NC1CCCCC1 WXVL_AK00480SB0338 [1,1,0,0,0,0|2,0,0]=4 25 B11R1.40 C#CC(=O)NC1CCCCC1 WXVL_AK00480SB0338 [1,1,0,0,0,0|2,0,0]=4 26 B11R1.40 CCC(=O)NC1CCCCC1 WXVL_AK00480SB0064 [1,1,0,0,0,0|2,0,0]=4 27 B11R1.40 CCC(=O)NC1CCCCC1 WXVL_AK00480SB0064 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.40 O=C(CO)NC1CCCCC1 WXVL_AK00480SB2706 [1,1,0,0,0,0|1,0,0]=3 29 B11R1.40 O=C(CO)NC1CCCCC1 WXVL_AK00480SB2706 [1,1,0,0,0,0|1,0,0]=3 30 B11R1.40 O=C(CO)NC1CCCOC1 WXVL_AK1073SB2706 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.40 O=C(CO)NC1CCCOC1 WXVL_AK1073SB2706 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.157 CC(=O)N[C@H]1CCC[C@H](C1)O WXVL_AK2614SB0150 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.157 CC(=O)N[C@H]1CCC[C@H](C1)O WXVL_AK2614SB0150 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.928 CC(=O)NC1(CCCCC1)C WXVL_AK0295SB0150 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.928 CC(=O)NC1(CCCCC1)C WXVL_AK0295SB0150 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.7 CNS(=O)(=O)C1CCCCC1 WXVL_AK00442HU0143 [0,1,0,0,1,0|1,0,0]=3 37 B11R1.7 CNS(=O)(=O)C1CCCCC1 WXVL_AK00442HU0143 [0,1,0,0,1,0|1,0,0]=3 38 B11R1.7 CNS(=O)(=O)C1CCOCC1 WXVL_AK00442HU0151 [0,1,0,0,1,0|2,0,0]=4 39 B11R1.7 CNS(=O)(=O)C1CCOCC1 WXVL_AK00442HU0151 [0,1,0,0,1,0|2,0,0]=4 40 B11R1.19 NS(=O)(=O)C1CCC(=O)CC1 WXVL_AK0084HU0442 [0,1,0,0,1,0|1,0,1]=4 41 B11R1.19 NS(=O)(=O)C1CCC(=O)CC1 WXVL_AK0084HU0442 [0,1,0,0,1,0|1,0,1]=4 42 B13R1.254 CCS(=O)(=O)NCC1CCCCO1 WXVL_AK1232HU0028 [0,1,0,0,0,1|2,0,0]=4 43 B13R1.254 CCS(=O)(=O)NCC1CCCCO1 WXVL_AK1232HU0028 [0,1,0,0,0,1|2,0,0]=4 44 B13R1.254 CCS(=O)(=O)NCC1CCCOC1 WXVL_AK00150HU0028 [0,1,0,0,0,1|2,0,0]=4 45 B13R1.254 CCS(=O)(=O)NCC1CCCOC1 WXVL_AK00150HU0028 [0,1,0,0,0,1|2,0,0]=4 46 B13R1.254 CCS(=O)(=O)NCC1CCOCC1 WXVL_AK0150HU0028 [0,1,0,0,0,1|2,0,0]=4 47 B13R1.254 CCS(=O)(=O)NCC1CCOCC1 WXVL_AK0150HU0028 [0,1,0,0,0,1|2,0,0]=4 48 B13R1.254 CCS(=O)(=O)NCC1CCSCC1 WXVL_AK00654HU0028 [0,1,0,0,0,1|2,0,0]=4 49 B13R1.254 CCS(=O)(=O)NCC1CCSCC1 WXVL_AK00654HU0028 [0,1,0,0,0,1|2,0,0]=4 50 B13R1.249 CCS(=O)(=O)NC1CCN(CC1)C WXVL_AK0287HU0028 [0,2,0,0,0,0|2,0,0]=4 51 B13R1.249 CCS(=O)(=O)NC1CCN(CC1)C WXVL_AK0287HU0028 [0,2,0,0,0,0|2,0,0]=4 52 B13R1.250 CCS(=O)(=O)N[C@H]1CCCN(C1)C WXVL_AK2061HU0028 [0,2,0,0,0,0|2,0,0]=4 53 B13R1.250 CCS(=O)(=O)N[C@H]1CCCN(C1)C WXVL_AK2061HU0028 [0,2,0,0,0,0|2,0,0]=4 54 B13R1.250 CCS(=O)(=O)N[C@H]1CCC[C@H](C1)O WXVL_AK2614HU0028 [0,2,0,0,0,0|1,0,0]=3 55 B13R1.250 CCS(=O)(=O)N[C@H]1CCC[C@H](C1)O WXVL_AK2614HU0028 [0,2,0,0,0,0|1,0,0]=3 56 B13R1.1073 CC(C)S(=O)(=O)NC1CCCCC1 WXVL_AK00480HU0023 [0,2,0,0,0,0|1,0,0]=3 57 B13R1.1073 CC(C)S(=O)(=O)NC1CCCCC1 WXVL_AK00480HU0023 [0,2,0,0,0,0|1,0,0]=3 58 B13R1.1073 CC(C)S(=O)(=O)NC1CCCOC1 WXVL_AK1073HU0023 [0,2,0,0,0,0|2,0,0]=4 59 B13R1.1073 CC(C)S(=O)(=O)NC1CCCOC1 WXVL_AK1073HU0023 [0,2,0,0,0,0|2,0,0]=4 60 B13R1.1327 C=CCS(=O)(=O)NC1CCCCC1 WXVL_AK00480HU0152 [0,2,0,0,0,0|1,0,0]=3 61 B13R1.1327 C=CCS(=O)(=O)NC1CCCCC1 WXVL_AK00480HU0152 [0,2,0,0,0,0|1,0,0]=3 62 B13R1.1327 C=CCS(=O)(=O)NC1CCCOC1 WXVL_AK1073HU0152 [0,2,0,0,0,0|2,0,0]=4 63 B13R1.1327 C=CCS(=O)(=O)NC1CCCOC1 WXVL_AK1073HU0152 [0,2,0,0,0,0|2,0,0]=4 64 B13R1.1327 CCCS(=O)(=O)NC1CCCCC1 WXVL_AK00480HU0030 [0,2,0,0,0,0|1,0,0]=3 65 B13R1.1327 CCCS(=O)(=O)NC1CCCCC1 WXVL_AK00480HU0030 [0,2,0,0,0,0|1,0,0]=3 66 B13R1.1327 CCCS(=O)(=O)NC1CCCOC1 WXVL_AK1073HU0030 [0,2,0,0,0,0|2,0,0]=4 67 B13R1.1327 CCCS(=O)(=O)NC1CCCOC1 WXVL_AK1073HU0030 [0,2,0,0,0,0|2,0,0]=4 68 B13R1.1327 N#CCS(=O)(=O)NC1CCCCC1 WXVL_AK00480HU0414 [0,2,0,0,0,0|1,0,0]=3 69 B13R1.1327 N#CCS(=O)(=O)NC1CCCCC1 WXVL_AK00480HU0414 [0,2,0,0,0,0|1,0,0]=3 70 B13R1.1327 N#CCS(=O)(=O)NC1CCCOC1 WXVL_AK1073HU0414 [0,2,0,0,0,0|2,0,0]=4 71 B13R1.1327 N#CCS(=O)(=O)NC1CCCOC1 WXVL_AK1073HU0414 [0,2,0,0,0,0|2,0,0]=4 72 B13R1.1327 O=S(=O)(CCBr)NC1CCCCC1 WXVL_AK00480HU0461 [0,2,0,0,0,0|1,0,0]=3 73 B13R1.1327 O=S(=O)(CCBr)NC1CCCCC1 WXVL_AK00480HU0461 [0,2,0,0,0,0|1,0,0]=3 74 B13R1.1327 O=S(=O)(CCBr)NC1CCCOC1 WXVL_AK1073HU0461 [0,2,0,0,0,0|2,0,0]=4 75 B13R1.1327 O=S(=O)(CCBr)NC1CCCOC1 WXVL_AK1073HU0461 [0,2,0,0,0,0|2,0,0]=4 76 B13R1.1327 O=S(=O)(CCCl)NC1CCCCC1 WXVL_AK00480HU0029 [0,2,0,0,0,0|1,0,0]=3 77 B13R1.1327 O=S(=O)(CCCl)NC1CCCCC1 WXVL_AK00480HU0029 [0,2,0,0,0,0|1,0,0]=3 78 B13R1.1327 O=S(=O)(CCCl)NC1CCCOC1 WXVL_AK1073HU0029 [0,2,0,0,0,0|2,0,0]=4 79 B13R1.1327 O=S(=O)(CCCl)NC1CCCOC1 WXVL_AK1073HU0029 [0,2,0,0,0,0|2,0,0]=4 80 B13R1.8352 CCS(=O)(=O)NC1(CCCCC1)C WXVL_AK0295HU0028 [0,2,0,0,0,0|1,0,0]=3 81 B13R1.8352 CCS(=O)(=O)NC1(CCCCC1)C WXVL_AK0295HU0028 [0,2,0,0,0,0|1,0,0]=3 82 B11R2.824 CC(=O)N1C2CCC1CC2 WXVL_AN00445SB0150 [1,0,0,1,0,0|2,0,0]=4 83 B11R2.824 CC(=O)N1C2CCC1CC2 WXVL_AN00445SB0150 [1,0,0,1,0,0|2,0,0]=4 84 B13R2.4598 CCS(=O)(=O)N1C2CCC1CC2 WXVL_AN00445HU0028 [0,1,0,1,0,0|1,0,0]=3 85 B13R2.4598 CCS(=O)(=O)N1C2CCC1CC2 WXVL_AN00445HU0028 [0,1,0,1,0,0|1,0,0]=3 86 B13R2.12542 CCS(=O)(=O)N1C2COCC1C2 WXVL_AN00557HU0028 [0,1,0,1,0,0|2,0,0]=4 87 B9R1.6 NC(=O)C1CCCCC1 WXVL_AK0084SB0047 [1,0,0,0,1,0|2,0,0]=4 88 B9R1.6 NC(=O)C1CCCCC1 WXVL_AK0084SB0047 [1,0,0,0,1,0|2,0,0]=4 89 B9R1.114 NS(=O)(=O)CC1CCC1 WXVL_AK0084HU0422 [0,0,0,0,2,0|2,0,0]=4 90 B9R1.114 NS(=O)(=O)CC1CCC1 WXVL_AK0084HU0422 [0,0,0,0,2,0|2,0,0]=4