0 B7R0.4 CCCCC[C@@H](C)O PI-49829 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.4 CN(C)CCCCN PI-23376 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.4 CNCCCN(C)C PI-19630 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.4 CCCCC(C)O PI-42555 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.4 CCCC[C@@H](C)O PI-49839 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.4 CN(C)CCCCl PI-50389 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.4 CN(C)CCCO PI-31996 [1,0,0,0,0,0|1,0,2]=4 7 B6R0.4 CN(C)CCON PI-47242 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.4 CNCCN(C)C PI-39257 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.4 ClCCCN(C)C PI-34098 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.4 O=C\C=C/N(C)C PI-12739 [1,0,0,0,0,0|1,0,2]=4 11 B6R0.6 BrCCCCC=C PI-39147 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.6 CCCCCCN PI-46860 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.6 CCCCCNC PI-21907 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.6 CCCCN=C=S PI-22957 [1,0,0,0,0,0|1,1,1]=4 15 B6R0.6 CCC\C=C\C=O PI-40157 [1,0,0,0,0,0|1,0,1]=3 16 B6R0.6 COCCOCCl PI-12842 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.6 ClCCCCC=O PI-34745 [1,0,0,0,0,0|2,0,0]=3 18 B8R0.6 C(CC=O)CC(C=O)O PI-42094 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.7 CC(=CCCCC=C)C PI-39645 [0,1,0,0,0,0|2,0,1]=4 20 B8R0.7 CC(NCCCCO)C PI-39829 [0,1,0,0,0,0|1,0,2]=4 21 B8R0.21 ClCOCC[Si](C)(C)C PI-35338 [0,1,0,0,0,0|1,1,1]=4 22 B8R0.28 CC(=O)CCCC(=O)C PI-42581 [0,1,0,0,0,0|2,0,1]=4 23 B8R0.28 CC(C)CCCC(=O)C PI-47229 [0,1,0,0,0,0|1,0,0]=2 24 B8R0.28 CN(C)CCCC(=O)O PI-29854 [0,1,0,0,0,0|2,0,0]=3 25 B8R0.28 CN(C\C=C\C(=O)O)C PI-32230 [0,1,0,0,0,0|2,0,1]=4 26 B8R1.4 CC1CCCC(=O)N1 PI-35204 [0,0,0,1,0,0|2,0,0]=3 27 B8R1.4 CC1CCNC(C1)C PI-11063 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.4 O=C1CCCC(=O)C1 PI-32070 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.4 O=C1CCC[C@@H](C)O1 PI-27587 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.4 O=C1CCNC(=O)C1 PI-35208 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.4 O=C1CCOC(C1)C PI-40554 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.4 O=C1NCCC(O)C1 PI-37263 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.4 O=C1NCCN(C)C1 PI-41916 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.72 C1CCNCC1(C)C PI-38949 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.72 CC1(C)CCNCC1 PI-40549 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.72 NC1(C)CCOCC1 PI-40814 [0,0,0,1,0,0|2,0,1]=4 37 B5R0.1 BrCCN(C)C PI-41040 [2,0,0,0,0,0|2,0,0]=4 38 B5R0.1 CC(CCO)N PI-34839 [2,0,0,0,0,0|1,0,0]=3 39 B5R0.1 CC(CCO)N PI-35494 [2,0,0,0,0,0|1,0,0]=3 40 B5R0.1 CC(CCO)O PI-15618 [2,0,0,0,0,0|1,0,0]=3 41 B5R0.1 CCCC(C)N PI-36925 [2,0,0,0,0,0|1,0,1]=4 42 B5R0.1 CCCC(C)O PI-42533 [2,0,0,0,0,0|1,0,1]=4 43 B5R0.1 CCC[C@@H](O)C PI-42532 [2,0,0,0,0,0|1,0,1]=4 44 B5R0.1 COCC(O)C PI-12912 [2,0,0,0,0,0|1,0,1]=4 45 B5R0.1 C[C@H](CCO)N PI-35493 [2,0,0,0,0,0|1,0,0]=3 46 B5R0.1 O=C=NC(C)C PI-11403 [2,0,0,0,0,0|1,0,1]=4 47 B5R0.1 OCC[C@H](O)C PI-15617 [2,0,0,0,0,0|1,0,0]=3 48 B5R0.2 BrCCCC=C PI-39146 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.2 C=COCCO PI-12735 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.2 COCCC=O PI-45882 [2,0,0,0,0,0|1,0,0]=3 51 B5R0.2 COCCCCl PI-38032 [2,0,0,0,0,0|1,0,1]=4 52 B5R0.2 COCCCO PI-10094 [2,0,0,0,0,0|1,0,1]=4 53 B5R0.2 CSCCC=O PI-45744 [2,0,0,0,0,0|1,0,0]=3 54 B5R0.2 O=CCCC=O PI-14232 [2,0,0,0,0,0|1,0,1]=4 55 B5R0.2 OCCCC=C PI-13243 [2,0,0,0,0,0|2,0,0]=4 56 B7R0.2 CC(C)CC(CO)N PI-35868 [1,1,0,0,0,0|0,0,2]=4 57 B7R0.2 OC[C@@H](CC(C)C)N PI-35776 [1,1,0,0,0,0|0,0,2]=4 58 B7R0.3 COC(=O)CCC=O PI-48276 [1,1,0,0,0,0|1,0,1]=4 59 B7R0.6 CC(=C)COC(=O)C PI-47091 [1,1,0,0,0,0|0,0,2]=4 60 B7R0.6 CC(=O)CCC(=O)C PI-48500 [1,1,0,0,0,0|1,0,1]=4 61 B7R0.6 CC(=O)OCC(F)F PI-21167 [1,1,0,0,0,0|2,0,0]=4 62 B7R0.6 CC(C)CCC(=O)O PI-25767 [1,1,0,0,0,0|0,0,0]=2 63 B7R0.6 CC(C)CCC(C)N PI-49380 [1,1,0,0,0,0|1,0,1]=4 64 B7R0.6 CC(C)CCC(C)O PI-30803 [1,1,0,0,0,0|0,0,2]=4 65 B7R0.6 C[S+](C)CCC(=O)O PI-45961 [1,1,0,0,0,0|1,0,0]=3 66 B7R0.1 CCCCCN=C=O PI-11407 [1,1,0,0,0,0|1,0,1]=4 67 B7R0.1 OCCCCOC=C PI-12738 [1,1,0,0,0,0|1,0,0]=3 68 B9R0.53 CC(C)CC(CC(=O)O)N PI-43912 [0,2,0,0,0,0|1,0,0]=3 69 B9R0.53 CC(C)C[C@@H](N)CC(=O)O PI-36246 [0,2,0,0,0,0|1,0,0]=3 70 B9R0.1 CC(C)CCOC(=O)C=C PI-47066 [0,2,0,0,0,0|0,0,0]=2 71 B9R0.1 CC(CCOC(=O)Cl)OC PI-48462 [0,2,0,0,0,0|0,0,0]=2 72 B9R0.7 N[C@@H](CCC(C)C)C(O)=O PI-37204 [0,2,0,0,0,0|1,0,0]=3 73 B9R0.56 CC(C)(C)OCCC(=O)O PI-22867 [0,2,0,0,0,0|2,0,0]=4 74 B7R1.2 C1C(=O)COC1=O PI-17979 [1,0,0,1,0,0|1,0,1]=4 75 B7R1.2 C1C(CNC1=O)N PI-35851 [1,0,0,1,0,0|2,0,0]=4 76 B7R1.2 C1C(COC1=O)O PI-28663 [1,0,0,1,0,0|1,0,0]=3 77 B7R1.2 CC1CCC(C1)O PI-44641 [1,0,0,1,0,0|0,0,2]=4 78 B7R1.2 CC1COC(=O)N1 PI-35869 [1,0,0,1,0,0|1,0,0]=3 79 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [1,0,0,1,0,0|1,0,0]=3 80 B7R1.2 C[C@@H]1COC(=O)O1 PI-12235 [1,0,0,1,0,0|1,0,0]=3 81 B7R1.2 C[C@H]1COC(=O)N1 PI-35870 [1,0,0,1,0,0|1,0,0]=3 82 B7R1.2 C[C@H]1COC(=O)O1 PI-12953 [1,0,0,1,0,0|1,0,0]=3 83 B7R1.2 O=C1OCC(O)C1 PI-12958 [1,0,0,1,0,0|1,0,0]=3 84 B7R1.2 OC1CC(=O)NC1 PI-39044 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.2 O[C@@H]1CC(=O)NC1 PI-15469 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.2 O[C@H]1CC(=O)NC1 PI-15470 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [1,0,0,1,0,0|1,0,0]=3 88 B7R1.3 BrC1CCOCC1 PI-35207 [1,0,0,1,0,0|1,0,1]=4 89 B7R1.3 C1COCCC1Cl PI-45093 [1,0,0,1,0,0|1,0,1]=4 90 B7R1.3 C1COCCC1I PI-45407 [1,0,0,1,0,0|1,0,1]=4 91 B7R1.3 CC1CCOCO1 PI-47110 [1,0,0,1,0,0|1,0,1]=4 92 B7R1.3 NC1CCOCC1 PI-14135 [1,0,0,1,0,0|1,0,1]=4 93 B7R1.3 NC1CCOCC1 PI-39008 [1,0,0,1,0,0|1,0,1]=4 94 B7R1.3 OC1CCOCC1 PI-37145 [1,0,0,1,0,0|1,0,1]=4 95 B7R1.7 C=CCCC1CO1 PI-41845 [1,0,0,1,0,0|2,0,0]=4 96 B7R1.7 C=CCC[C@H]1CO1 PI-48268 [1,0,0,1,0,0|2,0,0]=4 97 B7R1.1 C1CCN(C1)N=O PI-47048 [1,0,0,1,0,0|2,0,0]=4 98 B7R1.1 O=CC1=CCCC1 PI-39104 [1,0,0,1,0,0|1,0,1]=4 99 B7R1.4 BrC1CCOC1=O PI-37275 [1,0,0,1,0,0|1,0,0]=3 100 B7R1.4 C1CNC(=O)C1N PI-48181 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.4 C1CNC(=O)[C@@H]1N PI-48183 [1,0,0,1,0,0|2,0,0]=4 102 B7R1.4 C1CNC(=O)[C@H]1N PI-48182 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.4 C1COC(=O)C1N PI-45116 [1,0,0,1,0,0|1,0,0]=3 104 B7R1.4 C=C1CCOC1=O PI-13231 [1,0,0,1,0,0|0,0,2]=4 105 B7R1.4 CC1=CCOC1=O PI-46986 [1,0,0,1,0,0|0,0,2]=4 106 B7R1.4 CC1C(=O)CCO1 PI-14228 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.4 O=C1NCCC1C PI-27005 [1,0,0,1,0,0|1,0,0]=3 108 B7R1.4 O=C1OCC[C@@H]1O PI-38131 [1,0,0,1,0,0|1,0,0]=3 109 B7R1.4 O=C1OCC[C@H]1N PI-39306 [1,0,0,1,0,0|1,0,0]=3 110 B9R1.34 CC1CC(=O)CC(=O)C1 PI-30620 [0,1,0,1,0,0|1,0,1]=4 111 B9R1.34 CC1CC(CC(=O)C1)C PI-47230 [0,1,0,1,0,0|1,0,0]=3 112 B9R1.38 CC1(CC(=O)OC1=C)C PI-27827 [0,1,0,1,0,0|1,0,1]=4 113 B9R1.41 CC(C)N1CCCC1=O PI-50152 [0,1,0,1,0,0|1,0,0]=3 114 B9R1.66 O=C1CC(C)(C)CCC1 PI-42382 [0,1,0,1,0,0|1,0,0]=3 115 B9R1.2 C1CNC(CC1C=O)Br PI-13267 [0,1,0,1,0,0|2,0,0]=4 116 B9R1.49 CN1CCC(=O)NCC1 PI-48290 [0,1,0,1,0,0|2,0,0]=4 117 B9R1.49 CN1CCCC(=O)CC1 PI-45965 [0,1,0,1,0,0|2,0,0]=4 118 B9R1.40 CC1(CNCCC1=O)C PI-50037 [0,1,0,1,0,0|1,0,0]=3 119 B9R1.85 C1CC1COCC(=O)O PI-48044 [0,1,0,1,0,0|2,0,0]=4 120 B9R1.35 C1CC(CC1C(=O)O)N PI-17015 [0,1,0,1,0,0|2,0,0]=4 121 B9R1.35 CC(=O)N1CC[C@@H](C1)N PI-40973 [0,1,0,1,0,0|2,0,0]=4 122 B9R1.35 CC(=O)N1CC[C@H](C1)N PI-40974 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.35 CC(C)C1COC(=O)N1 PI-10341 [0,1,0,1,0,0|0,0,0]=2 124 B9R1.35 CC(C)C1COC(=O)N1 PI-10342 [0,1,0,1,0,0|0,0,0]=2 125 B9R1.35 CC(C)C1COC(=S)N1 PI-16643 [0,1,0,1,0,0|0,1,0]=3 126 B9R1.35 CC(C)C1COC(=S)N1 PI-42032 [0,1,0,1,0,0|0,1,0]=3 127 B9R1.35 CC(C)C1CSC(=S)N1 PI-16638 [0,1,0,1,0,0|0,2,0]=4 128 B9R1.35 S=C1SC[C@@H](N1)C(C)C PI-16637 [0,1,0,1,0,0|0,2,0]=4 129 B9R1.133 O=C[C@H]1COC(O1)(C)C PI-28173 [0,1,0,1,0,0|2,0,0]=4