0 B10R0.71 BrCCCCCCCCC=C PI-39247 [0,0,0,0,0,0|2,0,0]=2 1 B10R0.71 C(CCCCBr)CCCCBr PI-39736 [0,0,0,0,0,0|2,0,1]=3 2 B10R0.71 C(CCCCO)CCCCO PI-44645 [0,0,0,0,0,0|1,0,2]=3 3 B10R0.71 CCC#CCCCCCCCl PI-17122 [0,0,0,0,0,0|1,0,3]=4 4 B10R0.71 CCCCCC=CC=CC=O PI-48529 [0,0,0,0,0,0|0,0,4]=4 5 B10R0.71 CCCCCC=CCCC=O PI-20940 [0,0,0,0,0,0|0,0,2]=2 6 B10R0.71 CCCCCCCCCCF PI-23565 [0,0,0,0,0,0|1,0,1]=2 7 B10R0.71 CCCCCCCCCCN PI-40487 [0,0,0,0,0,0|1,0,1]=2 8 B10R0.71 CCCCCCCCN=C=O PI-11406 [0,0,0,0,0,0|1,0,1]=2 9 B10R0.71 CCCCCCCCN=C=S PI-14645 [0,0,0,0,0,0|1,1,1]=3 10 B10R0.71 CCCCCCNCCC#N PI-20710 [0,0,0,0,0,0|2,0,1]=3 11 B10R0.71 CCCCCCNCCCN PI-39642 [0,0,0,0,0,0|2,0,1]=3 12 B10R0.71 OCCCCCCCCCBr PI-38637 [0,0,0,0,0,0|1,0,2]=3 13 B9R0.45 C#CCCCCCCCO PI-40905 [1,0,0,0,0,0|0,0,3]=4 14 B9R0.45 C(CCCCCl)CCCCl PI-10977 [1,0,0,0,0,0|2,0,0]=3 15 B9R0.45 C(CCCCI)CCCI PI-46866 [1,0,0,0,0,0|2,0,0]=3 16 B9R0.45 C(CCCCN)CCCN PI-44644 [1,0,0,0,0,0|2,0,0]=3 17 B9R0.45 C(CCCCO)CCCO PI-16494 [1,0,0,0,0,0|1,0,1]=3 18 B9R0.45 C=CCCCCCCCBr PI-37398 [1,0,0,0,0,0|1,0,1]=3 19 B9R0.45 CCCCC#CCCCCl PI-12837 [1,0,0,0,0,0|1,0,2]=4 20 B9R0.45 CCCCCCC=CCO PI-46869 [1,0,0,0,0,0|0,0,3]=4 21 B9R0.45 CCCCCCCCC#C PI-12874 [1,0,0,0,0,0|0,0,2]=3 22 B9R0.45 CCCCCCCN=C=S PI-15990 [1,0,0,0,0,0|1,1,1]=4 23 B9R0.45 CCCCNCCCCO PI-47099 [1,0,0,0,0,0|1,0,1]=3 24 B9R0.45 NCCCNCCCCN PI-27634 [1,0,0,0,0,0|3,0,0]=4 25 B9R0.45 OCCCCCCCCBr PI-41510 [1,0,0,0,0,0|1,0,1]=3 26 B11R0.3 C(CCCCCCl)CCCCCl PI-44642 [0,1,0,0,0,0|1,0,1]=3 27 B11R0.3 C(CCCCCO)CCCCO PI-44637 [0,1,0,0,0,0|0,0,2]=3 28 B11R0.3 C=CCCCCCCCCC=O PI-47214 [0,1,0,0,0,0|0,0,1]=2 29 B11R0.3 C=CCCCCCCCCCBr PI-47212 [0,1,0,0,0,0|1,0,0]=2 30 B11R0.3 C=CCCCCCCCCCCl PI-47213 [0,1,0,0,0,0|1,0,0]=2 31 B11R0.3 C=CCCCCCCCCCN PI-47211 [0,1,0,0,0,0|1,0,0]=2 32 B11R0.3 C=CCCCCCCCCCO PI-40501 [0,1,0,0,0,0|1,0,0]=2 33 B11R0.3 CCCCCCCCCCCO PI-40504 [0,1,0,0,0,0|0,0,2]=3 34 B11R0.3 CCNCCCCCCNCC PI-44391 [0,1,0,0,0,0|2,0,1]=4 35 B11R0.140 CCCCCC(CCCCC)O PI-47218 [0,1,0,0,0,0|1,0,1]=3 36 B11R0.148 BrCCCCCCCCC(=O)O PI-29582 [0,1,0,0,0,0|1,0,0]=2 37 B11R0.148 CCCCCCCC=CC(=O)O PI-40909 [0,1,0,0,0,0|0,0,2]=3 38 B11R0.148 CCCCCCCCNC(=S)N PI-14651 [0,1,0,0,0,0|1,1,0]=3 39 B11R0.148 CCCCCCC\C=C\C(O)=O PI-37211 [0,1,0,0,0,0|0,0,2]=3 40 B11R0.148 CCCCCC\C=C\CC(O)=O PI-37094 [0,1,0,0,0,0|0,0,2]=3 41 B11R1.17 O=C1C(CCC#N)CCCC1 PI-37255 [0,0,0,1,0,0|1,0,1]=3 42 B11R1.28 OCCCCC1CCCCC1 PI-17588 [0,0,0,1,0,0|0,0,2]=3 43 B8R0.4 CCCCCCCCBr PI-44631 [2,0,0,0,0,0|1,0,0]=3 44 B8R0.4 CCCCCCCCCl PI-44615 [2,0,0,0,0,0|1,0,0]=3 45 B8R0.4 CCCCC\C=C\C=O PI-38486 [2,0,0,0,0,0|0,0,2]=4 46 B8R0.4 CCCCSCCCC PI-48485 [2,0,0,0,0,0|1,0,0]=3 47 B10R0.4 B(CCCCCCCC)(O)O PI-25412 [1,1,0,0,0,0|1,0,1]=4 48 B10R0.4 BrCCCCCCCC(=O)O PI-14490 [1,1,0,0,0,0|1,0,0]=3 49 B10R0.4 C(CCCC(=O)O)CCCO PI-20834 [1,1,0,0,0,0|1,0,0]=3 50 B10R0.4 CCCCCCCCC(=O)[O-] PI-46868 [1,1,0,0,0,0|0,0,0]=2 51 B10R0.4 CCCCCCCCC(=O)[O-] PI-47228 [1,1,0,0,0,0|0,0,0]=2 52 B10R0.4 NCCCCCCCC(=O)O PI-24013 [1,1,0,0,0,0|1,0,0]=3 53 B12R0.5 C(CCCCCO)CCCCCBr PI-47216 [0,2,0,0,0,0|0,0,2]=4 54 B12R0.5 CCCCC#CCCCCCCCl PI-17124 [0,2,0,0,0,0|1,0,1]=4 55 B12R0.5 CCCCCCCCCCCC=C PI-47231 [0,2,0,0,0,0|1,0,0]=3 56 B12R0.5 CCCCCCCCCCCCCl PI-44619 [0,2,0,0,0,0|1,0,1]=4 57 B12R0.5 CCCCCCCCNCCC#N PI-14642 [0,2,0,0,0,0|1,0,1]=4 58 B12R0.234 C#CCCCCCCCCC(=O)O PI-47215 [0,2,0,0,0,0|0,0,1]=3 59 B12R0.234 C(CCCC=CC(=O)O)CCCO PI-39050 [0,2,0,0,0,0|0,0,2]=4 60 B12R0.234 CCCCCCCCCCC(=O)Cl PI-43373 [0,2,0,0,0,0|0,0,0]=2 61 B12R0.248 CCCCCCCCNC(=S)NN PI-14650 [0,2,0,0,0,0|1,1,0]=4 62 B12R0.248 CCCCCCCCOC(=O)CN PI-15959 [0,2,0,0,0,0|1,0,0]=3 63 B12R0.248 OCCCCCCCCC(=O)OC PI-29501 [0,2,0,0,0,0|1,0,0]=3 64 B12R0.4 CCCCCCCC(C)OC(=O)C PI-26149 [0,2,0,0,0,0|1,0,0]=3 65 B12R0.4 CCCCCCCC(CC(C)C)O PI-42720 [0,2,0,0,0,0|1,0,1]=4 66 B12R0.184 O=C(OC)CCCCCCC(O)=O PI-37232 [0,2,0,0,0,0|1,0,1]=4 67 B12R0.251 CCCCCCCCC(C(=O)O)Br PI-26359 [0,2,0,0,0,0|0,0,0]=2 68 B12R0.119 O=S(OCCCCCCCC)([O-])=O PI-39390 [0,2,0,0,0,0|2,0,0]=4 69 B10R1.4 C=CCC1CCCCC1=O PI-29985 [1,0,0,1,0,0|0,0,2]=4 70 B10R1.4 CCCC1CCCCC1O PI-19976 [1,0,0,1,0,0|0,0,1]=3 71 B10R1.17 C1CCC(CC1)NCCN PI-39641 [1,0,0,1,0,0|2,0,0]=4 72 B10R1.17 C=CCNC1CCCCC1 PI-29837 [1,0,0,1,0,0|1,0,1]=4 73 B10R1.17 ClCCCN1CCCCC1 PI-19711 [1,0,0,1,0,0|2,0,0]=4 74 B10R1.17 OCCCC1CCNCC1 PI-34776 [1,0,0,1,0,0|1,0,1]=4 75 B10R1.20 C1CCC(C(C1)CO)CO PI-47035 [1,0,0,1,0,0|1,0,1]=4 76 B10R1.20 OC[C@@H]1CCCC[C@H]1CO PI-37515 [1,0,0,1,0,0|1,0,1]=4 77 B10R1.21 NCCCCN1CCCC1 PI-36586 [1,0,0,1,0,0|2,0,0]=4 78 B10R1.29 CCCCN1CCCC1=O PI-50565 [1,0,0,1,0,0|1,0,0]=3 79 B10R1.29 NCCCN1CCCC1=O PI-17919 [1,0,0,1,0,0|2,0,0]=4 80 B10R1.85 C1CCCN(CC1)CCN PI-15900 [1,0,0,1,0,0|2,0,0]=4 81 B10R1.85 C1CCCN(CC1)CCO PI-42925 [1,0,0,1,0,0|1,0,1]=4 82 B10R1.85 ClCCN1CCCCCC1 PI-16498 [1,0,0,1,0,0|2,0,0]=4 83 B12R1.28 CCCCCC1CCCC(=O)O1 PI-25804 [0,1,0,1,0,0|0,0,0]=2 84 B12R1.7 CCCCCCC1CCC(=O)O1 PI-19854 [0,1,0,1,0,0|0,0,0]=2 85 B12R1.75 CC(=O)C[C@@H]1[C@H](CCCN1)OC PI-48669 [0,1,0,1,0,0|2,0,0]=4 86 B12R1.252 C1CCC(CC1)CCCC(=O)O PI-27597 [0,1,0,1,0,0|0,0,0]=2 87 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] PI-26812 [0,1,0,1,0,0|0,0,0]=2 88 B12R1.252 C1CNCCC1CCCC(=O)O PI-26940 [0,1,0,1,0,0|1,0,0]=3 89 B12R1.255 C1CSSC1CCCCC(=O)N PI-38396 [0,1,0,1,0,0|2,0,0]=4 90 B12R1.255 C1CSSC1CCCCC(=O)O PI-14327 [0,1,0,1,0,0|2,0,0]=4 91 B12R1.255 OC(=O)CCCC[C@H]1SSCC1 PI-16001 [0,1,0,1,0,0|2,0,0]=4 92 B12R2.41 C1CCC2=NCCCN2CC1 PI-47133 [0,0,0,2,0,0|2,0,0]=4 93 B12R2.41 C1CCN2CCCN=C2CC1 PI-43164 [0,0,0,2,0,0|2,0,0]=4 94 B12R2.130 C1CC(=O)C2CCC(=O)C1C2 PI-14191 [0,0,0,2,0,0|1,0,1]=4 95 B12R2.8 C1CCC2(CC1)CCNC2=O PI-12650 [0,0,0,2,0,0|1,0,0]=3