0 B7R0.7 CC(CCBr)CCBr PI-25581 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.7 CCCC(=O)OCCl PI-36667 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.7 CCCC(CCC)N PI-15988 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.7 CCCC(S)CCO PI-37281 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.7 CCOC(=O)C#CC PI-22064 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.7 CCOC(=O)COC PI-50353 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.7 CCOC(=O)CSC PI-39857 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.7 CNCC(=O)OCC PI-30682 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.7 NCCC(=O)OCC PI-33213 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.7 OCCC(=O)OCC PI-39562 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.1 CC(CCN)CO PI-48961 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.1 CCC(C)N=C=S PI-22956 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.1 CCCC(CC)Cl PI-46859 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.1 CCCC(CO)O PI-13556 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.1 CCOC(=O)CBr PI-15815 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.1 CCOC(=O)NC PI-50343 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.1 C[C@@H](CCO)CO PI-48285 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.1 C\C(=N/O)\OCC PI-38013 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.6 CCCCCCN PI-46860 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.6 CCCCCNC PI-21907 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.6 CCCSCCC PI-48482 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.6 COCCOCCl PI-12842 [1,0,0,0,0,0|3,0,0]=4 22 B8R0.1 CCCCC(CCC)O PI-46865 [0,1,0,0,0,0|3,0,0]=4 23 B8R0.1 CCOC(=O)CCCBr PI-45007 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.1 CCOC(=O)CCCN PI-42166 [0,1,0,0,0,0|2,0,1]=4 25 B8R0.1 CCOC(=O)CCSC PI-48514 [0,1,0,0,0,0|2,0,1]=4 26 B8R0.1 CCOCC(C)OCC PI-44418 [0,1,0,0,0,0|0,0,0]=1 27 B8R0.1 O=C(OCC)CCNC PI-40053 [0,1,0,0,0,0|2,0,1]=4 28 B8R0.3 CCC(=O)C(=O)OCC PI-50191 [0,1,0,0,0,0|2,0,1]=4 29 B8R0.5 CC(Br)CC(OCC)=O PI-40060 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.5 CCOC(=O)CC(C)O PI-12942 [0,1,0,0,0,0|2,0,1]=4 31 B8R0.5 CCOC(=O)OC(C)Cl PI-13414 [0,1,0,0,0,0|1,0,1]=3 32 B8R0.5 C[C@H](O)CC(OCC)=O PI-37307 [0,1,0,0,0,0|2,0,1]=4 33 B8R0.5 ClCOC(=O)OC(C)C PI-24348 [0,1,0,0,0,0|2,0,1]=4 34 B8R0.22 CCC(OCC)OCC PI-50606 [0,1,0,0,0,0|0,0,0]=1 35 B8R0.22 CCOC(C#C)OCC PI-40891 [0,1,0,0,0,0|0,0,1]=2 36 B8R0.22 CCOC(CO)OCC PI-11243 [0,1,0,0,0,0|0,0,0]=1 37 B8R0.30 CCOP(=O)(O)OCC PI-41602 [0,1,0,0,0,0|2,0,0]=3 38 B8R0.30 CCO[Si](OCC)(Cl)Cl PI-45052 [0,1,0,0,0,0|1,1,0]=3 39 B8R1.4 CC1CC(CNC1)C PI-32523 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.4 CC1CCNC(C1)C PI-11063 [0,0,0,1,0,0|2,0,0]=3 41 B8R1.4 CC1CN(CCN1)C PI-40975 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.4 CC1CNCC(N1)C PI-11769 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.4 C[C@@H]1CNC[C@@H](O1)C PI-12868 [0,0,0,1,0,0|2,0,0]=3 44 B8R1.4 O=C1CCC[C@@H](C)O1 PI-27587 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.4 O=C1CCOC(C1)C PI-40554 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.8 C1COC(O1)CCN PI-17178 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.8 CNCC1CCCO1 PI-45431 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.8 COC[C@@H]1CCCN1 PI-35918 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.22 C=C1OCCCCO1 PI-46618 [0,0,0,1,0,0|0,0,2]=3 50 B5R0.1 CC(CCO)O PI-15618 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.1 CCCC(C)N PI-36925 [2,0,0,0,0,0|2,0,0]=4 52 B5R0.1 CCCC(C)O PI-42533 [2,0,0,0,0,0|1,0,0]=3 53 B5R0.1 CCC[C@@H](O)C PI-42532 [2,0,0,0,0,0|1,0,0]=3 54 B5R0.1 CCOC(=O)C PI-13192 [2,0,0,0,0,0|0,0,2]=4 55 B5R0.1 CCO[Si](C)C PI-50089 [2,0,0,0,0,0|0,1,0]=3 56 B5R0.1 COCC(O)C PI-12912 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.1 OCC[C@H](O)C PI-15617 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.2 BrCCSCC PI-21417 [2,0,0,0,0,0|1,1,0]=4 59 B5R0.2 CCCSSC PI-48493 [2,0,0,0,0,0|1,1,0]=4 60 B5R0.2 CCNCCN PI-13215 [2,0,0,0,0,0|2,0,0]=4 61 B5R0.2 CCO\C=C\C PI-12734 [2,0,0,0,0,0|0,0,2]=4 62 B5R0.2 CCSCCN PI-22120 [2,0,0,0,0,0|1,1,0]=4 63 B5R0.2 CCSSCC PI-45874 [2,0,0,0,0,0|0,2,0]=4 64 B5R0.2 COCCCCl PI-38032 [2,0,0,0,0,0|2,0,0]=4 65 B5R0.2 COCCCO PI-10094 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.3 CCC(CO)N PI-45910 [2,0,0,0,0,0|2,0,0]=4 67 B7R0.2 CC(OC(=O)OC)Cl PI-49210 [1,1,0,0,0,0|1,0,1]=4 68 B7R0.2 NC(C)CC(C)CC PI-36995 [1,1,0,0,0,0|1,0,0]=3 69 B7R0.5 CCOC(=O)C(C)Br PI-44612 [1,1,0,0,0,0|1,0,1]=4 70 B7R0.5 CCOC(=O)C(C)Cl PI-21896 [1,1,0,0,0,0|1,0,1]=4 71 B7R0.5 CCOC(=O)C(C)F PI-12305 [1,1,0,0,0,0|1,0,1]=4 72 B7R0.5 CCOC(=O)C(N)C PI-10064 [1,1,0,0,0,0|1,0,1]=4 73 B7R0.5 CCOC(=O)[C@@H](N)C PI-31019 [1,1,0,0,0,0|1,0,1]=4 74 B7R0.10 CCC(C(=O)CC)O PI-47068 [1,1,0,0,0,0|2,0,0]=4 75 B7R0.10 CCC(C(C)CO)S PI-48470 [1,1,0,0,0,0|2,0,0]=4 76 B7R0.10 CC[C@@H]([C@@H](CO)N)C PI-36847 [1,1,0,0,0,0|2,0,0]=4 77 B7R0.12 CCCC(CO)CO PI-44018 [1,1,0,0,0,0|2,0,0]=4 78 B7R0.1 CCCCCCCBr PI-44628 [1,1,0,0,0,0|2,0,0]=4 79 B7R0.1 CCCCNCCN PI-15624 [1,1,0,0,0,0|2,0,0]=4 80 B7R0.4 CCCCC[C@@H](C)O PI-49829 [1,1,0,0,0,0|2,0,0]=4 81 B9R0.5 CCOC=CC(=O)OCC PI-37578 [0,2,0,0,0,0|1,0,1]=4 82 B9R0.5 O=C(OCC)COCCCl PI-41952 [0,2,0,0,0,0|1,0,1]=4 83 B9R0.35 CCCC(C(=O)OCC)Br PI-19764 [0,2,0,0,0,0|2,0,0]=4 84 B9R0.66 CCO[Si](C)(C)CCCN PI-45170 [0,2,0,0,0,0|1,1,0]=4 85 B9R0.15 CCOC(OCC)C(Cl)Cl PI-32309 [0,2,0,0,0,0|0,0,0]=2 86 B9R0.17 CCOC(CCN)OCC PI-30594 [0,2,0,0,0,0|0,0,0]=2 87 B9R0.59 CCOC(C)(C#N)OCC PI-50486 [0,2,0,0,0,0|0,0,0]=2 88 B9R0.59 CCOP(=O)(C#C)OCC PI-40607 [0,2,0,0,0,0|1,0,1]=4 89 B9R0.59 CCOP(=O)(CI)OCC PI-30044 [0,2,0,0,0,0|1,0,0]=3 90 B9R0.59 CCOP(=O)(CO)OCC PI-44903 [0,2,0,0,0,0|1,0,0]=3 91 B9R0.59 CCOP(=O)(CO)OCC PI-44927 [0,2,0,0,0,0|1,0,0]=3 92 B9R0.59 ClCP(=O)(OCC)OCC PI-38764 [0,2,0,0,0,0|1,0,0]=3 93 B7R1.1 C1CC(NC1)CN PI-35678 [1,0,0,1,0,0|2,0,0]=4 94 B7R1.1 C1CC(OC1)CBr PI-30089 [1,0,0,1,0,0|1,0,0]=3 95 B7R1.1 C1CCC(C1)CO PI-44131 [1,0,0,1,0,0|2,0,0]=4 96 B7R1.1 C1CCC(C1)ON PI-47243 [1,0,0,1,0,0|2,0,0]=4 97 B7R1.1 CCN1CCCC1 PI-47092 [1,0,0,1,0,0|2,0,0]=4 98 B7R1.1 COC1OCCO1 PI-47112 [1,0,0,1,0,0|1,0,0]=3 99 B7R1.1 OC[C@@H]1CCCN1 PI-16636 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.1 OC[C@H]1CCCN1 PI-16475 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.2 CC1CCC(C1)O PI-44641 [1,0,0,1,0,0|2,0,0]=4 102 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [1,0,0,1,0,0|1,0,1]=4 103 B7R1.2 C[C@@H]1COC(=O)O1 PI-12235 [1,0,0,1,0,0|1,0,1]=4 104 B7R1.2 C[C@H]1COC(=O)O1 PI-12953 [1,0,0,1,0,0|1,0,1]=4 105 B7R1.3 C1CCNC(C1)Br PI-13261 [1,0,0,1,0,0|2,0,0]=4 106 B7R1.3 C1CCNC(C1)Cl PI-13259 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.3 C1CCNC(C1)O PI-11062 [1,0,0,1,0,0|2,0,0]=4 108 B7R1.3 C1COC(CN1)O PI-41771 [1,0,0,1,0,0|2,0,0]=4 109 B7R1.3 CC1=CCCCC1 PI-42686 [1,0,0,1,0,0|1,0,1]=4 110 B7R1.3 CC1CCOCO1 PI-47110 [1,0,0,1,0,0|1,0,0]=3 111 B7R1.3 CC1CNCCN1 PI-31297 [1,0,0,1,0,0|2,0,0]=4 112 B7R1.3 CC1CNCCN1 PI-33175 [1,0,0,1,0,0|2,0,0]=4 113 B7R1.3 CC1CNCCO1 PI-34764 [1,0,0,1,0,0|1,0,0]=3 114 B7R1.3 CC1SCCCS1 PI-25717 [1,0,0,1,0,0|0,2,0]=4 115 B7R1.3 C[C@@H]1CNCCN1 PI-31298 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.3 C[C@H]1CCCCN1 PI-48288 [1,0,0,1,0,0|1,0,0]=3 117 B7R1.3 C[C@H]1CNCCO1 PI-37360 [1,0,0,1,0,0|1,0,0]=3 118 B7R1.3 C[C@H]1COCCN1 PI-38135 [1,0,0,1,0,0|2,0,0]=4 119 B7R1.3 NC1CCCCN1 PI-13252 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.3 O=C1CCCCO1 PI-37295 [1,0,0,1,0,0|1,0,1]=4 121 B7R1.4 C1COC(C1Cl)Cl PI-13234 [1,0,0,1,0,0|2,0,0]=4 122 B7R1.4 CC1C(=O)CCO1 PI-14228 [1,0,0,1,0,0|1,0,1]=4 123 B7R1.4 CC1C(CCO1)S PI-14229 [1,0,0,1,0,0|1,0,0]=3 124 B7R1.24 C1CNCCOC1 PI-29260 [1,0,0,1,0,0|2,0,0]=4 125 B9R1.2 CN1CCOC(C1)CN PI-49243 [0,1,0,1,0,0|2,0,0]=4 126 B9R1.8 C1CCC(CC1)OCCl PI-47095 [0,1,0,1,0,0|2,0,0]=4 127 B9R1.8 C1COC(CN1)CCN PI-36262 [0,1,0,1,0,0|2,0,0]=4 128 B9R1.8 C1COC(OC1)CCBr PI-48812 [0,1,0,1,0,0|2,0,0]=4 129 B9R1.8 CCCC1CCCCN1 PI-18460 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.134 CC1(OCCS1)CCS PI-48499 [0,1,0,1,0,0|2,0,0]=4 131 B9R1.11 COC(=O)C1CCCO1 PI-13051 [0,1,0,1,0,0|2,0,0]=4 132 B9R1.34 CC1NC(SC(S1)C)C PI-39332 [0,1,0,1,0,0|0,2,0]=4 133 B9R1.14 CCN1CCCC1CN PI-11278 [0,1,0,1,0,0|2,0,0]=4 134 B9R1.14 CCN1CCCC1CN PI-31113 [0,1,0,1,0,0|2,0,0]=4 135 B9R1.14 NC[C@H]1CCCN1CC PI-32820 [0,1,0,1,0,0|2,0,0]=4