0 B10R0.71 CCC#CCCCCCCC 6167AL [0,0,0,0,0,0|2,0,2]=4 1 B10R0.71 CCC#CCCCCCCCl 4710AL [0,0,0,0,0,0|2,0,2]=4 2 B10R0.71 CCCCCCCC#CCO V0616 [0,0,0,0,0,0|1,1,2]=4 3 B10R0.71 CCCCCCCCCCC U203 [0,0,0,0,0,0|2,0,0]=2 4 B10R0.71 CCCCCCCCNC=O 8620AL [0,0,0,0,0,0|2,1,1]=4 5 B10R0.71 CCCCCNCCCCC 7593AL [0,0,0,0,0,0|3,0,0]=3 6 B10R0.71 CCCCCSCCCCC 5783AF [0,0,0,0,0,0|3,0,0]=3 7 B10R0.71 CCCCC\C=C/CCCO 7446AL [0,0,0,0,0,0|1,1,2]=4 8 B10R0.71 CCCC\C=C\CCCCO 9236AL [0,0,0,0,0,0|1,1,2]=4 9 B10R0.71 ClCCCCCCCCCCl Z5156 [0,0,0,0,0,0|2,0,0]=2 10 B10R0.71 OCCCCCCCCCCl 7136AB [0,0,0,0,0,0|1,1,0]=2 11 B10R0.71 OCCCCNCCCCO 2416AC [0,0,0,0,0,0|1,2,0]=3 12 B10R0.71 OCCSCCCSCCO 5964AL [0,0,0,0,0,0|2,2,0]=4 13 B9R0.45 C#CCCCCCCCO X5979 [1,0,0,0,0,0|0,1,2]=4 14 B9R0.45 C=CCCCCCCCCl 1177AF [1,0,0,0,0,0|1,0,2]=4 15 B9R0.45 C=CCCCCCCCO 6910AL [1,0,0,0,0,0|0,1,2]=4 16 B9R0.45 CCC#CCCCCCC 5747AF [1,0,0,0,0,0|1,0,2]=4 17 B9R0.45 CCCCCC#CCCO V0610 [1,0,0,0,0,0|0,1,2]=4 18 B9R0.45 CCCCCCC#CCO V0621 [1,0,0,0,0,0|0,1,2]=4 19 B9R0.45 CCCCCCCCC#N 8127AF [1,0,0,0,0,0|1,0,1]=3 20 B9R0.45 CCCCCCCCCS Q791 [1,0,0,0,0,0|0,0,0]=1 21 B9R0.45 CCCCCC\C=C/CO 7426AL [1,0,0,0,0,0|0,1,2]=4 22 B9R0.45 CCCCC\C=C/CCO 7441AL [1,0,0,0,0,0|0,1,2]=4 23 B9R0.45 CCCNCCNCCC 5593AD [1,0,0,0,0,0|3,0,0]=4 24 B9R0.45 CNCCCCCCNC 5618AA [1,0,0,0,0,0|3,0,0]=4 25 B9R0.45 ICCCCCCCCI 4683AL [1,0,0,0,0,0|2,0,0]=3 26 B9R0.45 NCCCCNCCCN 7714AH [1,0,0,0,0,0|3,0,0]=4 27 B9R0.45 OCCCCCCCCCl Q040 [1,0,0,0,0,0|1,1,0]=3 28 B9R0.45 SCCCCCCCCS 7639AJ [1,0,0,0,0,0|0,0,0]=1 29 B11R0.3 C#CCCCCCCCCCO E596 [0,1,0,0,0,0|1,1,0]=3 30 B11R0.3 C=CCCCCCCCCC=C 4349AL [0,1,0,0,0,0|2,0,1]=4 31 B11R0.3 CCCCC#CCCCCCC 6768AL [0,1,0,0,0,0|2,0,1]=4 32 B11R0.3 CCCCCCCCCCC#N 5901AF [0,1,0,0,0,0|2,0,0]=3 33 B11R0.3 CCCCCCCCNCCN 5469AB [0,1,0,0,0,0|2,0,0]=3 34 B11R0.3 CCCCCCCCOCCO 4872AH [0,1,0,0,0,0|1,1,0]=3 35 B11R0.4 CCCCCCCC(=O)CCC 5904AF [0,1,0,0,0,0|2,0,1]=4 36 B11R0.40 CCCCCCCCC(=O)CC 6166AL [0,1,0,0,0,0|2,0,1]=4 37 B11R0.40 CCCCCCCCC(O)CO V2424 [0,1,0,0,0,0|1,1,0]=3 38 B11R0.40 OCCCCCCCC(O)CO 4416AL [0,1,0,0,0,0|0,2,0]=3 39 B11R0.81 CCCCCCC(=O)CCCC 6822AL [0,1,0,0,0,0|2,0,1]=4 40 B11R0.81 CCCCCCC(O)CCCC 6821AL [0,1,0,0,0,0|2,0,0]=3 41 B11R0.148 CCCCCCCCCC(C)N 3731AD [0,1,0,0,0,0|2,0,0]=3 42 B11R0.148 CCCCCCCCCC(C)O 5913AF [0,1,0,0,0,0|1,1,0]=3 43 B11R0.148 CN(C)CCCCCCCCO 6904AL [0,1,0,0,0,0|2,1,0]=4 44 B11R0.148 O=C(O)CCCCCCCCBr Z4721 [0,1,0,0,0,0|1,1,1]=4 45 B11R1.28 BrCCCCC1CCCCC1 4295AH [0,0,0,1,0,0|2,0,0]=3 46 B11R1.28 BrCCCOC1CCCCO1 Y8779 [0,0,0,1,0,0|2,1,0]=4 47 B11R1.28 OCCCCC1CCNCC1 V6728 [0,0,0,1,0,0|2,1,0]=4 48 B11R1.117 NCCC1CCCCCCC1 5035AH [0,0,0,1,0,0|2,0,0]=3 49 B11R1.180 CCCCCC1CCCC1=O 6603AB [0,0,0,1,0,0|1,1,1]=4 50 B11R1.203 NCCCN1CCCCCC1 V5320 [0,0,0,1,0,0|3,0,0]=4 51 B8R0.4 CCCCCCCCF V6056 [2,0,0,0,0,0|1,0,0]=3 52 B8R0.4 CCCCCOCCO 6511AH [2,0,0,0,0,0|1,1,0]=4 53 B8R0.4 CCCCNCCCC W7485 [2,0,0,0,0,0|1,0,0]=3 54 B8R0.4 CCCCOCCCN P793 [2,0,0,0,0,0|2,0,0]=4 55 B8R0.4 ClCCCCCCCBr 4782AL [2,0,0,0,0,0|2,0,0]=4 56 B10R0.1 CCCCCCC(=O)CCC 9409AB [1,1,0,0,0,0|1,0,1]=4 57 B10R0.4 CC(C)CCCCCCCO 0582AC [1,1,0,0,0,0|0,1,0]=3 58 B10R0.4 CCCCCCCCC(=O)Cl 8642AL [1,1,0,0,0,0|0,1,1]=4 59 B10R0.4 CCCCCCCCC(=O)[O-] 8744AL [1,1,0,0,0,0|0,1,1]=4 60 B10R0.4 CCCCCCCCC(C)C Z5044 [1,1,0,0,0,0|1,0,0]=3 61 B10R0.4 CCCCCCCCC(C)O 5773AF [1,1,0,0,0,0|0,1,0]=3 62 B10R0.74 C=CC(O)CCCCCCC U552 [1,1,0,0,0,0|1,0,1]=4 63 B10R0.74 CCCCCCCC(O)CC 6031AL [1,1,0,0,0,0|1,0,0]=3 64 B10R0.74 CCCCCCCC(O)CO 4474AL [1,1,0,0,0,0|0,1,0]=3 65 B10R0.91 CCCCCC(O)CCCC 6764AL [1,1,0,0,0,0|1,0,0]=3 66 B12R0.5 C=CCCCCCCCCCCC 4969AL [0,2,0,0,0,0|2,0,0]=4 67 B12R0.5 CCCCCCCCCCN=C=S 8249AD [0,2,0,0,0,0|1,0,1]=4 68 B12R0.5 CCCCCCCCC\C=C\CO 9203AL [0,2,0,0,0,0|1,1,0]=4 69 B12R0.5 NCCCCCCCCCCCN 5916AF [0,2,0,0,0,0|2,0,0]=4 70 B12R0.206 CCCCCCCC(=O)CCCC 6040AF [0,2,0,0,0,0|2,0,0]=4 71 B12R0.234 CCCCCCCCCCC(C)O 5599AL [0,2,0,0,0,0|1,1,0]=4 72 B12R0.248 OCCCCCCCCC(O)CO 4382AL [0,2,0,0,0,0|0,2,0]=4 73 B12R0.111 CCCCCCC(CBr)CCCC 3280AC [0,2,0,0,0,0|2,0,0]=4 74 B10R1.4 CC1CCCCN1CCN 1969AC [1,0,0,1,0,0|2,0,0]=4 75 B10R1.4 CCCC1CCCCC1O 5770AL [1,0,0,1,0,0|0,1,0]=3 76 B10R1.17 CCCCC1CCNCC1 W5826 [1,0,0,1,0,0|2,0,0]=4 77 B10R1.17 NCCCC1CCCCC1 5332AH [1,0,0,1,0,0|1,0,0]=3 78 B10R1.17 NCCSC1CCCCC1 7883AE [1,0,0,1,0,0|2,0,0]=4 79 B10R1.17 OCCCC1CCNCC1 0904AC [1,0,0,1,0,0|1,1,0]=4 80 B10R1.17 OCCCC1CCNCC1 7796AA [1,0,0,1,0,0|1,1,0]=4 81 B10R1.20 OC[C@@H]1CCCC[C@H]1CO X6176 [1,0,0,1,0,0|0,2,0]=4 82 B10R1.20 OC[C@@H]1CCCC[C@H]1CO Z3750 [1,0,0,1,0,0|0,2,0]=4 83 B10R1.20 OC[C@H]1CCCC[C@@H]1CO X6158 [1,0,0,1,0,0|0,2,0]=4 84 B10R1.21 CCCNCC1CCCO1 1152AC [1,0,0,1,0,0|1,1,0]=4 85 B10R1.78 O=C1CCCCCCCC1 3914AB [1,0,0,1,0,0|0,1,1]=4 86 B10R1.85 CCNC1CCCCCC1 3947AE [1,0,0,1,0,0|2,0,0]=4 87 B10R1.85 ClCCN1CCCCCC1 W4986 [1,0,0,1,0,0|2,0,0]=4 88 B10R1.85 NCCC1CCCCCC1 6136AB [1,0,0,1,0,0|1,0,0]=3 89 B10R1.85 NCCN1CCCCCC1 4661AE [1,0,0,1,0,0|2,0,0]=4 90 B12R1.1 CCCCC[C@H]1CC[C@H](O)CC1 9227AL [0,1,0,1,0,0|2,0,0]=4 91 B12R2.1081 O[C@H]1CCC[C@@H]2CCCCC12 1428AQ [0,0,0,2,0,0|1,1,0]=4