0 B10R0.71 C#CCCCCCCCCC 4971AL [0,0,0,0,0,0|2,0,1]=3 1 B10R0.71 C#CCCCCCCCCO X5978 [0,0,0,0,0,0|1,1,1]=3 2 B10R0.71 C=CCCCCCCCC=C 4347AL [0,0,0,0,0,0|2,0,2]=4 3 B10R0.71 CCCCCOCCCCC 5775AF [0,0,0,0,0,0|3,0,0]=3 4 B10R0.71 CCNCCCNCCCO 7934AC [0,0,0,0,0,0|3,1,0]=4 5 B10R0.71 COCCOCCOCCS 0494AP [0,0,0,0,0,0|4,0,0]=4 6 B10R0.71 NCCCCCCCCCN Z3509 [0,0,0,0,0,0|2,0,0]=2 7 B10R0.71 OCCCCCCCCCS 0647AQ [0,0,0,0,0,0|0,1,0]=1 8 B10R0.71 OCCCCOCCCCO 0882AE [0,0,0,0,0,0|1,2,0]=3 9 B10R0.71 OCCNCCCNCCO 1272AA [0,0,0,0,0,0|2,2,0]=4 10 B10R0.71 SCCSCCCSCCS 5965AL [0,0,0,0,0,0|2,0,0]=2 11 B9R0.45 CC#CCCCCCCC 5746AF [1,0,0,0,0,0|1,0,2]=4 12 B9R0.45 CCCCC#CCCCO 6762AB [1,0,0,0,0,0|0,1,2]=4 13 B9R0.45 CCCCCCCC[Mg]Br 8938AJ [1,0,0,0,0,0|2,0,0]=3 14 B9R0.45 CCCCCCCNCC P111 [1,0,0,0,0,0|2,0,0]=3 15 B9R0.45 CCCCCC\C=C/CO 7426AL [1,0,0,0,0,0|0,1,2]=4 16 B9R0.45 CCCC\C=C/CCCC 7453AL [1,0,0,0,0,0|1,0,2]=4 17 B9R0.45 CCCNCCCNCC 7924AC [1,0,0,0,0,0|3,0,0]=4 18 B9R0.45 CNCCCNCCCO 7933AC [1,0,0,0,0,0|2,1,0]=4 19 B9R0.45 NCCCCCCCCO 6900AL [1,0,0,0,0,0|1,1,0]=3 20 B11R0.3 C#CCCCCCCCCCC 6014AF [0,1,0,0,0,0|2,0,0]=3 21 B11R0.3 C=CCOCCCCCCCC 7032AL [0,1,0,0,0,0|2,0,1]=4 22 B11R0.3 CCCCC#CCCCCCC 6768AL [0,1,0,0,0,0|2,0,1]=4 23 B11R0.3 CCCCCCCCCCC#N 5901AF [0,1,0,0,0,0|2,0,0]=3 24 B11R0.3 CCCCCCCCNCCN 5469AB [0,1,0,0,0,0|2,0,0]=3 25 B11R0.3 CCCCCCCCOCCO 4872AH [0,1,0,0,0,0|1,1,0]=3 26 B11R0.3 CCCCCCCNCCCN 7233AE [0,1,0,0,0,0|2,0,0]=3 27 B11R0.3 CCCCNCCNCCCC 2606AE [0,1,0,0,0,0|3,0,0]=4 28 B11R0.3 CCNCCCCCCNCC 8428AL [0,1,0,0,0,0|3,0,0]=4 29 B11R0.3 NCCCCCCCCCCO 4707AL [0,1,0,0,0,0|1,1,0]=3 30 B11R0.3 SCCCCCCCCCCS 4345AL [0,1,0,0,0,0|0,0,0]=1 31 B11R0.4 CCCCCCCC(O)CCC 6706AL [0,1,0,0,0,0|2,0,0]=3 32 B11R0.40 CCCCCCCCC(O)CC 6165AL [0,1,0,0,0,0|2,0,0]=3 33 B11R0.148 CN(C)CCCCCCCCO 6904AL [0,1,0,0,0,0|2,1,0]=4 34 B11R0.148 O=C(O)CCCCCCCCO 4850AB [0,1,0,0,0,0|0,2,1]=4 35 B11R1.4 NCCCCCN1CCCC1 1069AC [0,0,0,1,0,0|3,0,0]=4 36 B11R1.4 NCCCNCC1CCCO1 2682AF [0,0,0,1,0,0|2,1,0]=4 37 B11R1.28 CCCCCC1CCCCC1 8653AL [0,0,0,1,0,0|2,0,0]=3 38 B11R1.28 ClCCCOC1CCCCO1 5006AL [0,0,0,1,0,0|2,1,0]=4 39 B11R1.28 NCCCCN1CCCCC1 9076AE [0,0,0,1,0,0|3,0,0]=4 40 B11R1.28 NCCOCC1CCCCC1 6761AD [0,0,0,1,0,0|3,0,0]=4 41 B11R1.28 OCCCCC1CCCCN1 5949AJ [0,0,0,1,0,0|1,1,0]=3 42 B11R1.28 OCCCCN1CCCCC1 8682AC [0,0,0,1,0,0|2,1,0]=4 43 B11R1.101 O=C1CCCCCCCCC1 7516AA [0,0,0,1,0,0|1,1,1]=4 44 B11R1.203 NCCCN1CCCCCC1 5292AH [0,0,0,1,0,0|3,0,0]=4 45 B8R0.4 C=CCCCCCCC 8130AF [2,0,0,0,0,0|0,0,2]=4 46 B8R0.4 CCC#CCCCCC 6141AL [2,0,0,0,0,0|0,0,2]=4 47 B8R0.4 CCCCCCCCC 8936AJ [2,0,0,0,0,0|0,0,0]=2 48 B8R0.4 CCCCCCCSC 8022AL [2,0,0,0,0,0|1,0,0]=3 49 B8R0.4 CCCCCOCCO 6511AH [2,0,0,0,0,0|1,1,0]=4 50 B8R0.4 CCCNCCCNC 4534AE [2,0,0,0,0,0|2,0,0]=4 51 B8R0.4 CCC\C=C/CCCC 7450AL [2,0,0,0,0,0|0,0,2]=4 52 B8R0.4 CNCCCCCCO 4396AE [2,0,0,0,0,0|1,1,0]=4 53 B8R0.4 COCCCCCOC 4651AL [2,0,0,0,0,0|2,0,0]=4 54 B8R0.4 C\C=C\CCCCCC 9212AL [2,0,0,0,0,0|0,0,2]=4 55 B10R0.1 CCCCCCC(O)CCC 6468AL [1,1,0,0,0,0|1,0,0]=3 56 B10R0.74 CCCCCCCC(=O)CC 5762AF [1,1,0,0,0,0|1,0,1]=4 57 B10R0.74 CCCCCCCC(O)CO 4474AL [1,1,0,0,0,0|0,1,0]=3 58 B10R0.91 CCCCCC(O)CCCC 6764AL [1,1,0,0,0,0|1,0,0]=3 59 B12R0.1 CCCCCCCCC(C)CCC 6607AL [0,2,0,0,0,0|2,0,0]=4 60 B12R0.5 CCCCCCCCC\C=C\CO 9203AL [0,2,0,0,0,0|1,1,0]=4 61 B12R0.206 CCCCCCCC(=O)CCCC 6040AF [0,2,0,0,0,0|2,0,0]=4 62 B12R0.248 CCCCCCCCCC(=O)CC 6039AF [0,2,0,0,0,0|2,0,0]=4 63 B12R0.248 OCCCCCCCCC(O)CO 4382AL [0,2,0,0,0,0|0,2,0]=4 64 B10R1.4 CC1CCCCN1CCN 1969AC [1,0,0,1,0,0|2,0,0]=4 65 B10R1.4 CN1CCCCC1CCO 7565AB [1,0,0,1,0,0|1,1,0]=4 66 B10R1.17 BrCCCN1CCCCC1 4930AJ [1,0,0,1,0,0|2,0,0]=4 67 B10R1.17 CCCCC1CCNCC1 W4771 [1,0,0,1,0,0|2,0,0]=4 68 B10R1.17 CNCCC1CCCCC1 1064AL [1,0,0,1,0,0|2,0,0]=4 69 B10R1.17 COCCC1CCCCN1 0883AF [1,0,0,1,0,0|2,0,0]=4 70 B10R1.17 NCCCC1CCCCC1 2801AF [1,0,0,1,0,0|1,0,0]=3 71 B10R1.17 O=CCCC1CCCCC1 6024AB [1,0,0,1,0,0|0,1,1]=4 72 B10R1.17 OCCCC1CCCCN1 5623AJ [1,0,0,1,0,0|1,1,0]=4 73 B10R1.20 CCN1CCCCC1CN 1974AE [1,0,0,1,0,0|2,0,0]=4 74 B10R1.20 OC[C@@H]1CCCC[C@H]1CO Z3750 [1,0,0,1,0,0|0,2,0]=4 75 B10R1.21 CCCNCC1CCCO1 1152AC [1,0,0,1,0,0|1,1,0]=4 76 B10R1.21 NCCCCN1CCCC1 1901AB [1,0,0,1,0,0|2,0,0]=4 77 B10R1.21 NCCOCC1CCCC1 1619AF [1,0,0,1,0,0|2,0,0]=4 78 B10R1.21 OCCCCN1CCCC1 5779AC [1,0,0,1,0,0|1,1,0]=4 79 B10R1.78 O=C1CCCCCCCC1 3914AB [1,0,0,1,0,0|0,1,1]=4 80 B10R1.85 CCNC1CCCCCC1 3947AE [1,0,0,1,0,0|2,0,0]=4 81 B10R1.85 ClCCN1CCCCCC1 3008AH [1,0,0,1,0,0|2,0,0]=4 82 B10R1.85 NCCC1CCCCCC1 3123AA [1,0,0,1,0,0|1,0,0]=3 83 B10R1.85 NCCN1CCCCCC1 W5245 [1,0,0,1,0,0|2,0,0]=4 84 B10R1.161 C=CC1CCCCCCC1 0210AQ [1,0,0,1,0,0|1,0,1]=4 85 B10R1.161 CNC1CCCCCCC1 W6069 [1,0,0,1,0,0|2,0,0]=4 86 B10R1.161 CNC1CCCCCCC1 Y1668 [1,0,0,1,0,0|2,0,0]=4 87 B12R1.8 FCCOCCC1CCCCN1 1446AD [0,1,0,1,0,0|2,0,0]=4 88 B12R1.8 OCCCCCN1CCCCC1 9314AD [0,1,0,1,0,0|1,1,0]=4 89 B12R1.8 OCCCCNC1CCCCC1 9708AE [0,1,0,1,0,0|1,1,0]=4 90 B12R1.37 CCCCCCNC1CCCC1 6745AD [0,1,0,1,0,0|2,0,0]=4 91 B12R1.267 CCCCCC1CCCCC1=O 3601AB [0,1,0,1,0,0|1,1,0]=4 92 B12R1.372 CCCCCCC1CCCC1=O 5599AA [0,1,0,1,0,0|1,1,0]=4 93 B12R1.410 CNC1CCCCCCCCC1 2563AC [0,1,0,1,0,0|2,0,0]=4 94 B12R1.1 CCCCC[C@H]1CC[C@H](O)CC1 9227AL [0,1,0,1,0,0|2,0,0]=4 95 B12R2.2 C1CCC(C2CCCN2)CC1 V5531 [0,0,0,2,0,0|2,0,0]=4 96 B12R2.7 OC1CCCCC12NCCS2 2458AD [0,0,0,2,0,0|1,1,0]=4 97 B12R2.4328 C1CCCC2(CC1)NCCS2 1279AF [0,0,0,2,0,0|2,0,0]=4