0 B10R0.71 BrCCCCCCCCC=C PI-39247 [0,0,0,0,0,0|1,0,2]=3 1 B10R0.71 C(CCCCBr)CCCCBr PI-39736 [0,0,0,0,0,0|2,0,0]=2 2 B10R0.71 C(CCCCO)CCCCO PI-44645 [0,0,0,0,0,0|1,0,0]=1 3 B10R0.71 CCC#CCCCCCCCl PI-17122 [0,0,0,0,0,0|1,0,2]=3 4 B10R0.71 CCCCCC=CCCC=O PI-20940 [0,0,0,0,0,0|0,0,4]=4 5 B10R0.71 CCCCCCCCCCF PI-23565 [0,0,0,0,0,0|1,0,0]=1 6 B10R0.71 CCCCCCCCCCN PI-40487 [0,0,0,0,0,0|1,0,0]=1 7 B10R0.71 CCCCCCCCN=C=O PI-11406 [0,0,0,0,0,0|1,0,2]=3 8 B10R0.71 CCCCCCCCN=C=S PI-14645 [0,0,0,0,0,0|1,1,1]=3 9 B10R0.71 CCCCCCNCCC#N PI-20710 [0,0,0,0,0,0|2,0,1]=3 10 B10R0.71 CCCCCCNCCCN PI-39642 [0,0,0,0,0,0|2,0,0]=2 11 B10R0.71 NCCNCCCNCCN PI-19636 [0,0,0,0,0,0|4,0,0]=4 12 B10R0.71 OCCCCCCCCCBr PI-38637 [0,0,0,0,0,0|1,0,0]=1 13 B9R0.45 C#CCCCCCCCO PI-40905 [1,0,0,0,0,0|0,0,2]=3 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|1,0,0]=2 18 B9R0.45 C(CSCCSCCO)O PI-18623 [1,0,0,0,0,0|3,0,0]=4 19 B9R0.45 C=CCCCCCCCBr PI-37398 [1,0,0,0,0,0|1,0,2]=4 20 B9R0.45 CCCCC#CCCCCl PI-12837 [1,0,0,0,0,0|1,0,2]=4 21 B9R0.45 CCCCCCC=CCO PI-46869 [1,0,0,0,0,0|0,0,2]=3 22 B9R0.45 CCCCCCCCC#C PI-12874 [1,0,0,0,0,0|0,0,2]=3 23 B9R0.45 CCCCCCCN=C=S PI-15990 [1,0,0,0,0,0|1,1,1]=4 24 B9R0.45 CCCCNCCCCO PI-47099 [1,0,0,0,0,0|1,0,0]=2 25 B9R0.45 NCCCNCCCCN PI-27634 [1,0,0,0,0,0|3,0,0]=4 26 B9R0.45 NCCOCCOCCO PI-39479 [1,0,0,0,0,0|3,0,0]=4 27 B9R0.45 OCCCCCCCCBr PI-41510 [1,0,0,0,0,0|1,0,0]=2 28 B9R0.45 OCCNCCNCCO PI-39043 [1,0,0,0,0,0|3,0,0]=4 29 B9R0.45 OCCOCCOCCCl PI-38200 [1,0,0,0,0,0|3,0,0]=4 30 B11R0.3 C(CCCCCCl)CCCCCl PI-44642 [0,1,0,0,0,0|1,0,0]=2 31 B11R0.3 C(CCCCCO)CCCCO PI-44637 [0,1,0,0,0,0|0,0,0]=1 32 B11R0.3 C=CCCCCCCCCC=O PI-47214 [0,1,0,0,0,0|0,0,3]=4 33 B11R0.3 C=CCCCCCCCCCBr PI-47212 [0,1,0,0,0,0|1,0,1]=3 34 B11R0.3 C=CCCCCCCCCCCl PI-47213 [0,1,0,0,0,0|1,0,1]=3 35 B11R0.3 C=CCCCCCCCCCN PI-47211 [0,1,0,0,0,0|1,0,1]=3 36 B11R0.3 C=CCCCCCCCCCO PI-40501 [0,1,0,0,0,0|0,0,1]=2 37 B11R0.3 CCCCCCCCCCCO PI-40504 [0,1,0,0,0,0|0,0,0]=1 38 B11R0.3 CCNCCCCCCNCC PI-44391 [0,1,0,0,0,0|2,0,0]=3 39 B11R0.4 CCOC(=O)CCCCCCBr PI-19404 [0,1,0,0,0,0|2,0,1]=4 40 B11R0.4 O=C(OCC)CCCCCCN PI-40332 [0,1,0,0,0,0|2,0,1]=4 41 B11R0.140 CCCCCC(CCCCC)O PI-47218 [0,1,0,0,0,0|1,0,0]=2 42 B11R0.148 B(C=CCCCCCCC)(O)O PI-25692 [0,1,0,0,0,0|1,0,2]=4 43 B11R0.148 BrCCCCCCCCC(=O)O PI-29582 [0,1,0,0,0,0|1,0,1]=3 44 B11R0.148 CCCCCCCC=CC(=O)O PI-40909 [0,1,0,0,0,0|0,0,3]=4 45 B11R0.148 CCCCCCCCNC(=S)N PI-14651 [0,1,0,0,0,0|1,1,1]=4 46 B11R0.148 CCCCCCC\C=C\C(O)=O PI-37211 [0,1,0,0,0,0|0,0,3]=4 47 B11R0.148 CCCCCC\C=C\CC(O)=O PI-37094 [0,1,0,0,0,0|0,0,3]=4 48 B11R1.28 C1CCOC(C1)OCCCBr PI-47087 [0,0,0,1,0,0|2,0,0]=3 49 B11R1.28 C1CCOC(C1)OCCCCl PI-49450 [0,0,0,1,0,0|2,0,0]=3 50 B11R1.28 OCCCCC1CCCCC1 PI-17588 [0,0,0,1,0,0|0,0,0]=1 51 B11R1.99 CCCCNCCNC1CC1 PI-22915 [0,0,0,1,0,0|3,0,0]=4 52 B11R1.203 CCCCN1CCNCCC1 PI-22919 [0,0,0,1,0,0|3,0,0]=4 53 B8R0.4 CCCCCC=CCO PI-26231 [2,0,0,0,0,0|0,0,2]=4 54 B8R0.4 CCCCCCCCBr PI-44631 [2,0,0,0,0,0|1,0,0]=3 55 B8R0.4 CCCCCCCCCl PI-44615 [2,0,0,0,0,0|1,0,0]=3 56 B8R0.4 CCCCSCCCC PI-48485 [2,0,0,0,0,0|1,0,0]=3 57 B8R0.4 OCCCCCCC#C PI-40903 [2,0,0,0,0,0|0,0,2]=4 58 B10R0.1 CCOC(=O)CCCCCO PI-45932 [1,1,0,0,0,0|1,0,1]=4 59 B10R0.4 B(CCCCCCCC)(O)O PI-25412 [1,1,0,0,0,0|1,0,0]=3 60 B10R0.4 BrCCCCCCCC(=O)O PI-14490 [1,1,0,0,0,0|1,0,1]=4 61 B10R0.4 C(CCCC(=O)O)CCCO PI-20834 [1,1,0,0,0,0|1,0,1]=4 62 B10R0.4 CCCCCCCCC(=O)[O-] PI-46868 [1,1,0,0,0,0|0,0,2]=4 63 B10R0.4 CCCCCCCCC(=O)[O-] PI-47228 [1,1,0,0,0,0|0,0,2]=4 64 B10R0.4 CCCCNCCNC(C)C PI-22953 [1,1,0,0,0,0|2,0,0]=4 65 B10R0.4 NCCCCCCCC(=O)O PI-24013 [1,1,0,0,0,0|1,0,1]=4 66 B12R0.5 C(CCCCCO)CCCCCBr PI-47216 [0,2,0,0,0,0|0,0,0]=2 67 B12R0.5 CCCCC#CCCCCCCCl PI-17124 [0,2,0,0,0,0|1,0,0]=3 68 B12R0.5 CCCCCCCCCCCC=C PI-47231 [0,2,0,0,0,0|1,0,0]=3 69 B12R0.5 CCCCCCCCCCCCCl PI-44619 [0,2,0,0,0,0|1,0,0]=3 70 B12R0.5 CCCCCCCCNCCC#N PI-14642 [0,2,0,0,0,0|1,0,0]=3 71 B12R0.234 C#CCCCCCCCCC(=O)O PI-47215 [0,2,0,0,0,0|0,0,2]=4 72 B12R0.234 CCCCCCCCCCC(=O)Cl PI-43373 [0,2,0,0,0,0|0,0,1]=3 73 B12R0.248 CCCCCCCCOC(=O)CN PI-15959 [0,2,0,0,0,0|1,0,1]=4 74 B12R0.248 OCCCCCCCCC(=O)OC PI-29501 [0,2,0,0,0,0|0,0,1]=3 75 B12R0.4 CCCCCCCC(=O)CC(C)C PI-42689 [0,2,0,0,0,0|1,0,1]=4 76 B12R0.4 CCCCCCCC(CC(C)C)O PI-42720 [0,2,0,0,0,0|1,0,0]=3 77 B12R0.57 CCN(CC)CCCCCCCN PI-36566 [0,2,0,0,0,0|2,0,0]=4 78 B12R0.251 CCCCCCCCC(C(=O)O)Br PI-26359 [0,2,0,0,0,0|0,0,1]=3 79 B12R0.111 CCCCC(CC)CNCCCN PI-39643 [0,2,0,0,0,0|2,0,0]=4 80 B10R1.4 CCCC1CCCCC1O PI-19976 [1,0,0,1,0,0|0,0,0]=2 81 B10R1.17 C1CCC(CC1)NCCN PI-39641 [1,0,0,1,0,0|2,0,0]=4 82 B10R1.17 C1CCOC(C1)OCCBr PI-47086 [1,0,0,1,0,0|2,0,0]=4 83 B10R1.17 C1CCOC(C1)OCCCl PI-47085 [1,0,0,1,0,0|2,0,0]=4 84 B10R1.17 CCCCN1CCNCC1 PI-15648 [1,0,0,1,0,0|2,0,0]=4 85 B10R1.17 ClCCCN1CCCCC1 PI-19711 [1,0,0,1,0,0|2,0,0]=4 86 B10R1.17 OCCCC1CCNCC1 PI-34776 [1,0,0,1,0,0|1,0,0]=3 87 B10R1.17 OCCCN1CCNCC1 PI-20860 [1,0,0,1,0,0|2,0,0]=4 88 B10R1.20 C1CCC(C(C1)CO)CO PI-47035 [1,0,0,1,0,0|1,0,0]=3 89 B10R1.20 CNC1CCCCC1NC PI-22371 [1,0,0,1,0,0|2,0,0]=4 90 B10R1.20 CNC1CCCCC1NC PI-44330 [1,0,0,1,0,0|2,0,0]=4 91 B10R1.20 OC[C@@H]1CCCC[C@H]1CO PI-37515 [1,0,0,1,0,0|1,0,0]=3 92 B10R1.21 NCCCCN1CCCC1 PI-36586 [1,0,0,1,0,0|2,0,0]=4 93 B10R1.85 C1CCCN(CC1)CCN PI-15900 [1,0,0,1,0,0|2,0,0]=4 94 B10R1.85 C1CCCN(CC1)CCO PI-42925 [1,0,0,1,0,0|1,0,0]=3 95 B10R1.85 ClCCN1CCCCCC1 PI-16498 [1,0,0,1,0,0|2,0,0]=4 96 B10R1.161 C1CCCC(=NO)CCC1 PI-30055 [1,0,0,1,0,0|1,0,1]=4 97 B12R1.8 C1CN(CCN1)CCOCCO PI-28115 [0,1,0,1,0,0|2,0,0]=4 98 B12R1.8 C1CN(CCN1)CCOCCO PI-34044 [0,1,0,1,0,0|2,0,0]=4 99 B12R1.8 CCCCCCN1CCNCC1 PI-20718 [0,1,0,1,0,0|2,0,0]=4 100 B12R1.375 COCCOCCOCC1CO1 PI-50609 [0,1,0,1,0,0|2,0,0]=4 101 B12R1.28 CCCCCC1CCCC(=O)O1 PI-25804 [0,1,0,1,0,0|0,0,1]=3 102 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@H]1O PI-48322 [0,1,0,1,0,0|1,0,1]=4 103 B12R1.1 CCCCCC1CCC(=O)CC1 PI-12354 [0,1,0,1,0,0|1,0,1]=4 104 B12R1.1 CN1CCN(CC1)CCCCO PI-20749 [0,1,0,1,0,0|2,0,0]=4 105 B12R1.7 CCCCCCC1CCC(=O)O1 PI-19854 [0,1,0,1,0,0|0,0,1]=3 106 B12R1.252 C1CCC(CC1)CCCC(=O)O PI-27597 [0,1,0,1,0,0|0,0,1]=3 107 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] PI-26812 [0,1,0,1,0,0|0,0,2]=4 108 B12R1.252 C1CNCCC1CCCC(=O)O PI-26940 [0,1,0,1,0,0|1,0,1]=4 109 B12R2.98 C1CCN(C1)CC2CCCN2 PI-32864 [0,0,0,2,0,0|2,0,0]=4 110 B12R2.1081 C1CC2CNCCC2C(C1)Br PI-17693 [0,0,0,2,0,0|2,0,0]=4 111 B12R2.4370 C1COC2(CCNCC2)OC1 PI-19237 [0,0,0,2,0,0|2,0,0]=4