0 B7R0.1 C(CCCBr)CCO PI-39099 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.1 C(CCCCl)CCCl PI-44616 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.1 C(CCCS)CCO PI-40491 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.1 C(CCCS)CCS PI-35928 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.1 C(C[Se][Se]CCN)N PI-21712 [0,0,0,0,0,0|2,2,0]=4 5 B7R0.1 CCCCCCCBr PI-44628 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.1 CCCCNCCN PI-15624 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.1 CCCSSCCC PI-48483 [0,0,0,0,0,0|0,0,0]=0 8 B7R0.1 COCCCCCBr PI-50168 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.1 OCCCCCCCl PI-37141 [0,0,0,0,0,0|4,0,0]=4 10 B7R0.1 OCCCCCCN PI-40365 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.6 BrCCOCCBr PI-13583 [1,0,0,0,0,0|2,1,0]=4 12 B6R0.6 BrCC[NH2+]CCBr PI-37244 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.6 C(CCBr)CCBr PI-44626 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.6 C(CCN)CCN PI-46858 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.6 C(CCO)CCCl PI-44261 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.6 C(CCS)CCS PI-11006 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.6 C(COCCN)N PI-47125 [1,0,0,0,0,0|2,1,0]=4 18 B6R0.6 CCCCCCN PI-46860 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.6 CCCCCNC PI-21907 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.6 CCCOCCCl PI-47054 [1,0,0,0,0,0|1,1,0]=3 21 B6R0.6 CCCSCCC PI-48482 [1,0,0,0,0,0|0,0,0]=1 22 B6R0.6 CNCCCNC PI-32197 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.6 COCCCCBr PI-39605 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.6 ClCCCCCBr PI-10753 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.6 ClCCNCCCl PI-37373 [1,0,0,0,0,0|3,0,0]=4 26 B8R0.1 CCCCC(CCC)O PI-46865 [0,1,0,0,0,0|2,0,0]=3 27 B8R0.4 CCCCCCCCBr PI-44631 [0,1,0,0,0,0|2,0,0]=3 28 B8R0.4 CCCCCCCCCl PI-44615 [0,1,0,0,0,0|2,0,0]=3 29 B8R0.4 CCCCNCCC#N PI-22875 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.4 CCCCSCCCC PI-48485 [0,1,0,0,0,0|1,0,0]=2 31 B8R0.4 CCOCCOCCBr PI-50169 [0,1,0,0,0,0|2,1,0]=4 32 B8R0.4 COCCNCCOC PI-42682 [0,1,0,0,0,0|3,0,0]=4 33 B8R0.6 CCCCCC(CC)O PI-42991 [0,1,0,0,0,0|2,0,0]=3 34 B8R0.7 CCCCCCC(C)O PI-10350 [0,1,0,0,0,0|2,0,0]=3 35 B8R1.2 BrCC1CCCCC1 PI-33021 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.2 BrCC1CCCOC1 PI-39467 [0,0,0,1,0,0|2,1,0]=4 37 B8R1.2 C1CC(CNC1)CN PI-11064 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.2 C1CC(CNC1)CO PI-11066 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.2 C1CCC(CC1)CI PI-44086 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.2 C1CCNC(C1)CO PI-11061 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.2 C1C[C@@H](CNC1)CO PI-48081 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.2 CCC1CCCCN1 PI-11060 [0,0,0,1,0,0|2,0,0]=3 43 B8R1.2 CCC1CNCCN1 PI-40004 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.2 CNC1CCCNC1 PI-11067 [0,0,0,1,0,0|3,0,0]=4 45 B8R1.2 COC1CCCNC1 PI-36380 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.2 COC1CCCNC1 PI-43328 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.2 NCC1CCCCC1 PI-34207 [0,0,0,1,0,0|3,0,0]=4 48 B8R1.2 NCC1CCCCN1 PI-11059 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.2 OCC1CCCCC1 PI-15325 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.5 C1C(C(CSS1)O)O PI-25145 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.5 CC1CCCCC1N PI-13571 [0,0,0,1,0,0|3,0,0]=4 52 B8R1.5 CC1CNCCC1O PI-43324 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.8 C1CCN(C1)CCO PI-49853 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.8 CNCC1CCCO1 PI-45431 [0,0,0,1,0,0|2,1,0]=4 55 B8R1.8 COC[C@@H]1CCCN1 PI-35918 [0,0,0,1,0,0|3,0,0]=4 56 B8R1.8 ClCCN1CCCC1 PI-16416 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.22 C1CCNCC(C1)N PI-15948 [0,0,0,1,0,0|3,0,0]=4 58 B8R1.22 CN1CCCNCC1 PI-34064 [0,0,0,1,0,0|3,0,0]=4 59 B8R1.36 CCCNCC1CC1 PI-13558 [0,0,0,1,0,0|2,0,0]=3 60 B5R0.2 BrCCSCC PI-21417 [2,0,0,0,0,0|1,0,0]=3 61 B5R0.2 C(CCBr)CCl PI-15812 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.2 C(CCBr)CN PI-46910 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.2 C(CCCl)CO PI-15813 [2,0,0,0,0,0|2,0,0]=4 64 B5R0.2 C(CCS)CS PI-11005 [2,0,0,0,0,0|2,0,0]=4 65 B5R0.2 CCCSSC PI-48493 [2,0,0,0,0,0|0,0,0]=2 66 B5R0.2 CCNCCN PI-13215 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.2 CCSCCN PI-22120 [2,0,0,0,0,0|1,0,0]=3 68 B5R0.2 CCSSCC PI-45874 [2,0,0,0,0,0|0,0,0]=2 69 B5R0.2 CNCCNC PI-39066 [2,0,0,0,0,0|2,0,0]=4 70 B5R0.2 CNCCSC PI-35879 [2,0,0,0,0,0|2,0,0]=4 71 B5R0.2 COCCCCl PI-38032 [2,0,0,0,0,0|2,0,0]=4 72 B5R0.2 COCCCO PI-10094 [2,0,0,0,0,0|2,0,0]=4 73 B5R0.2 FCCCCBr PI-14440 [2,0,0,0,0,0|2,0,0]=4 74 B5R0.2 NCCCCO PI-38298 [2,0,0,0,0,0|2,0,0]=4 75 B5R0.2 OCCCCBr PI-12762 [2,0,0,0,0,0|2,0,0]=4 76 B7R0.4 CCCCC[C@@H](C)O PI-49829 [1,1,0,0,0,0|1,0,0]=3 77 B7R0.7 CCCC(CCC)N PI-15988 [1,1,0,0,0,0|1,0,0]=3 78 B7R0.7 CCCC(S)CCO PI-37281 [1,1,0,0,0,0|2,0,0]=4 79 B9R0.18 CCCNC(=S)NCCC PI-19378 [0,2,0,0,0,0|2,0,0]=4 80 B9R0.45 C(CCCCCl)CCCCl PI-10977 [0,2,0,0,0,0|2,0,0]=4 81 B9R0.45 C(CCCCI)CCCI PI-46866 [0,2,0,0,0,0|2,0,0]=4 82 B9R0.45 C(CCCCN)CCCN PI-44644 [0,2,0,0,0,0|2,0,0]=4 83 B9R0.45 C(CCCCO)CCCO PI-16494 [0,2,0,0,0,0|2,0,0]=4 84 B9R0.45 C(CSCCSCCO)O PI-18623 [0,2,0,0,0,0|2,0,0]=4 85 B9R0.45 CCCCC#CCCCCl PI-12837 [0,2,0,0,0,0|2,0,0]=4 86 B9R0.45 CCCCCCCCC#C PI-12874 [0,2,0,0,0,0|2,0,0]=4 87 B9R0.45 CCCCNCCCCO PI-47099 [0,2,0,0,0,0|2,0,0]=4 88 B9R0.45 NCCCNCCCCN PI-27634 [0,2,0,0,0,0|2,0,0]=4 89 B9R0.45 OCCCCCCCCBr PI-41510 [0,2,0,0,0,0|2,0,0]=4 90 B9R0.46 CCCCCCC(CO)O PI-44204 [0,2,0,0,0,0|2,0,0]=4 91 B7R1.1 C1CC(NC1)CN PI-35678 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.1 C1CC(OC1)CBr PI-30089 [1,0,0,1,0,0|1,1,0]=4 93 B7R1.1 C1CCC(C1)CO PI-44131 [1,0,0,1,0,0|2,0,0]=4 94 B7R1.1 CCN1CCCC1 PI-47092 [1,0,0,1,0,0|2,0,0]=4 95 B7R1.1 OC[C@@H]1CCCN1 PI-16636 [1,0,0,1,0,0|2,0,0]=4 96 B7R1.1 OC[C@H]1CCCN1 PI-16475 [1,0,0,1,0,0|2,0,0]=4 97 B7R1.3 BrC1CCCOC1 PI-35181 [1,0,0,1,0,0|1,1,0]=4 98 B7R1.3 C1CC(CNC1)Br PI-13262 [1,0,0,1,0,0|2,0,0]=4 99 B7R1.3 C1CC(CNC1)F PI-48937 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.3 C1CC(CNC1)N PI-11065 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.3 C1CC(CNC1)N PI-27492 [1,0,0,1,0,0|2,0,0]=4 102 B7R1.3 C1CC(CNC1)O PI-10129 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.3 C1CC(CNC1)O PI-11069 [1,0,0,1,0,0|2,0,0]=4 104 B7R1.3 C1CC(CNC1)O PI-31252 [1,0,0,1,0,0|2,0,0]=4 105 B7R1.3 C1C[C@@H](CNC1)F PI-48938 [1,0,0,1,0,0|2,0,0]=4 106 B7R1.3 CC1CNCCN1 PI-31297 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.3 CC1CNCCN1 PI-33175 [1,0,0,1,0,0|2,0,0]=4 108 B7R1.3 CC1CNCCO1 PI-34764 [1,0,0,1,0,0|2,0,0]=4 109 B7R1.3 CC1SCCCS1 PI-25717 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.3 C[C@@H]1CNCCN1 PI-31298 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.3 C[C@H]1CCCCN1 PI-48288 [1,0,0,1,0,0|2,0,0]=4 112 B7R1.3 C[C@H]1CNCCO1 PI-37360 [1,0,0,1,0,0|2,0,0]=4 113 B7R1.3 C[C@H]1COCCN1 PI-38135 [1,0,0,1,0,0|1,1,0]=4 114 B7R1.3 NC1CCCNC1 PI-13253 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.3 N[C@@H]1CCCNC1 PI-27493 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.3 N[C@@H]1CCCNC1 PI-38031 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.3 O1CCCC(C1)O PI-42688 [1,0,0,1,0,0|1,1,0]=4 118 B7R1.3 O[C@H]1CCCNC1 PI-10130 [1,0,0,1,0,0|2,0,0]=4 119 B7R1.24 C1CNCCNC1 PI-37834 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.24 C1CNCCOC1 PI-29260 [1,0,0,1,0,0|1,1,0]=4 121 B9R1.8 BrCCC1CCCCC1 PI-17338 [0,1,0,1,0,0|2,0,0]=4 122 B9R1.8 CCCC1CCCCN1 PI-18460 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.8 CCCN1CCNCC1 PI-19319 [0,1,0,1,0,0|2,0,0]=4 124 B9R1.8 COCC1CCCCN1 PI-43215 [0,1,0,1,0,0|2,0,0]=4 125 B9R1.8 COCC1CCCCN1 PI-43325 [0,1,0,1,0,0|2,0,0]=4 126 B9R1.50 C1CCCNC(=O)CC1 PI-38929 [0,1,0,1,0,0|2,0,0]=4 127 B9R1.69 CC1CCC(CC1C)O PI-47226 [0,1,0,1,0,0|2,0,0]=4 128 B9R1.134 CCC[N+]1(CCCC1)C PI-45709 [0,1,0,1,0,0|2,0,0]=4 129 B9R1.134 CCC[N+]1(CCCC1)C PI-45710 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.134 CCC[N+]1(CCCC1)C PI-45711 [0,1,0,1,0,0|2,0,0]=4 131 B9R1.118 CCC1(O)CCCCC1 PI-29293 [0,1,0,1,0,0|2,0,0]=4 132 B9R1.6 CC(C1CCCCC1)N PI-43987 [0,1,0,1,0,0|2,0,0]=4 133 B9R1.6 CC(C1CCCCC1)N PI-44012 [0,1,0,1,0,0|2,0,0]=4 134 B9R1.6 CC(C1CCCCC1)N PI-44013 [0,1,0,1,0,0|2,0,0]=4 135 B9R2.3 C1CC2C(C1)CNC2 PI-10398 [0,0,0,2,0,0|2,0,0]=4 136 B9R2.69 C1CC1SSC2CC2 PI-33317 [0,0,0,2,0,0|0,0,0]=2