0 B8R0.7 B(CCCCCC)(O)O PI-25221 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.7 BrCCCCCC(=O)Cl PI-21506 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.7 BrCCCCCC(=O)O PI-26630 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.7 C(CCC(=O)N)CCBr PI-21503 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.7 CC(=CCCCC=C)C PI-39645 [0,0,0,0,0,0|1,0,3]=4 5 B8R0.7 CC(=O)OCCCSC PI-35854 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.7 CC(NCCCCO)C PI-39829 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.7 CCCCCCC(=O)[O-] PI-46862 [0,0,0,0,0,0|1,0,0]=1 8 B8R0.7 CCCCCCC(C)O PI-10350 [0,0,0,0,0,0|0,0,2]=2 9 B8R0.7 CCCCCOC(=O)Cl PI-24536 [0,0,0,0,0,0|2,0,0]=2 10 B8R0.7 CCCCCOC(=S)[S-] PI-47065 [0,0,0,0,0,0|2,1,0]=3 11 B8R0.7 CCOCCOC(=O)Cl PI-48465 [0,0,0,0,0,0|3,0,0]=3 12 B8R0.7 CCOCCOC(C)=O PI-12911 [0,0,0,0,0,0|2,0,0]=2 13 B8R0.7 ClCOCCOC(=O)C PI-36404 [0,0,0,0,0,0|3,0,0]=3 14 B8R0.7 NC(NCCCCN)=N PI-42210 [0,0,0,0,0,0|4,0,0]=4 15 B8R0.7 O=C(O)CCCCCN PI-41159 [0,0,0,0,0,0|2,0,0]=2 16 B8R0.7 O=C(O)COCCCC PI-32593 [0,0,0,0,0,0|2,0,0]=2 17 B7R0.1 BrCCCCCC#N PI-21504 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.1 C(CCCBr)CCO PI-39099 [1,0,0,0,0,0|1,0,2]=4 19 B7R0.1 C(CCCCl)CCCl PI-44616 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.1 C(CCCS)CCO PI-40491 [1,0,0,0,0,0|1,0,2]=4 21 B7R0.1 C(CCCS)CCS PI-35928 [1,0,0,0,0,0|1,1,1]=4 22 B7R0.1 CCCCCCCBr PI-44628 [1,0,0,0,0,0|1,0,1]=3 23 B7R0.1 CCCCCN=C=O PI-11407 [1,0,0,0,0,0|1,0,1]=3 24 B7R0.1 CCCCNCCN PI-15624 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.1 CCCSSCCC PI-48483 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.1 COCCCCCBr PI-50168 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.1 OCCCCCCCl PI-37141 [1,0,0,0,0,0|1,0,2]=4 28 B7R0.1 OCCCCCCN PI-40365 [1,0,0,0,0,0|1,0,2]=4 29 B7R0.1 OCCCCOC=C PI-12738 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.4 BrCCCCC(=O)Cl PI-15616 [1,0,0,0,0,0|2,0,0]=3 31 B7R0.4 BrCCCCC(=O)O PI-11341 [1,0,0,0,0,0|2,0,0]=3 32 B7R0.4 C#CCCCC(O)=O PI-37286 [1,0,0,0,0,0|1,0,2]=4 33 B7R0.4 C(CCBr)CC(=O)[O-] PI-41801 [1,0,0,0,0,0|2,0,0]=3 34 B7R0.4 C(CCCl)CC(=O)Cl PI-44721 [1,0,0,0,0,0|2,0,0]=3 35 B7R0.4 C(CNCC(=O)O)N PI-47160 [1,0,0,0,0,0|3,0,0]=4 36 B7R0.4 CC(=O)CCCCCl PI-28023 [1,0,0,0,0,0|1,0,0]=2 37 B7R0.4 CCCCCB(O)O PI-37261 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.4 CCCCC[C@@H](C)O PI-49829 [1,0,0,0,0,0|0,0,2]=3 39 B7R0.4 CCCCNC(=S)N PI-23056 [1,0,0,0,0,0|2,1,0]=4 40 B7R0.4 CCCCOC(=S)[S-] PI-47064 [1,0,0,0,0,0|2,1,0]=4 41 B7R0.4 CCCOCC(=O)O PI-32592 [1,0,0,0,0,0|2,0,0]=3 42 B7R0.4 CN(C)CCCCN PI-23376 [1,0,0,0,0,0|3,0,0]=4 43 B7R0.4 CNCCCN(C)C PI-19630 [1,0,0,0,0,0|3,0,0]=4 44 B7R0.4 COCCOC(=O)C PI-12910 [1,0,0,0,0,0|2,0,0]=3 45 B7R0.4 NCCCCC(=O)O PI-30804 [1,0,0,0,0,0|2,0,0]=3 46 B7R0.4 OC(=O)CCCCN PI-40783 [1,0,0,0,0,0|2,0,0]=3 47 B9R0.1 CC(=O)NCCC(=O)OC PI-33249 [0,1,0,0,0,0|2,0,1]=4 48 B9R0.1 CC(CCOC(=O)Cl)OC PI-48462 [0,1,0,0,0,0|3,0,0]=4 49 B9R0.1 COC(=O)CCCC(=O)O PI-39132 [0,1,0,0,0,0|2,0,1]=4 50 B9R0.2 BrCCCCCCC(=O)O PI-36573 [0,1,0,0,0,0|1,0,0]=2 51 B9R0.2 CC(=O)OCCCCCCl PI-44263 [0,1,0,0,0,0|1,0,0]=2 52 B9R0.2 CCCCCCNC(=S)N PI-20722 [0,1,0,0,0,0|1,1,0]=3 53 B9R0.2 CCCCCCOC(=O)Cl PI-41139 [0,1,0,0,0,0|1,0,0]=2 54 B9R0.2 CCCCOC=CC(=O)Cl PI-44356 [0,1,0,0,0,0|1,0,2]=4 55 B9R0.2 NCCCCCCC(=O)O PI-11340 [0,1,0,0,0,0|1,0,0]=2 56 B9R0.2 NCCCCCNC(=N)N PI-22838 [0,1,0,0,0,0|3,0,0]=4 57 B9R0.2 O=C(O)CCCCCCO PI-37225 [0,1,0,0,0,0|1,0,0]=2 58 B9R0.2 O=S(CCCCN=C=S)C PI-37074 [0,1,0,0,0,0|2,0,1]=4 59 B9R0.2 O=S(CCCCN=C=S)C PI-41535 [0,1,0,0,0,0|2,0,1]=4 60 B9R0.4 CCCCC(=O)CC(=O)C PI-36799 [0,1,0,0,0,0|0,0,1]=2 61 B9R0.4 CSCCC(CC(=O)O)N PI-43861 [0,1,0,0,0,0|2,0,0]=3 62 B9R0.38 CCCCCCP(=O)(O)O PI-40609 [0,1,0,0,0,0|2,0,0]=3 63 B9R0.38 CCCCCCS(=O)(=O)Cl PI-20719 [0,1,0,0,0,0|2,0,0]=3 64 B9R0.38 CCCCCCS(=O)(=O)[O-] PI-36859 [0,1,0,0,0,0|2,0,0]=3 65 B9R0.38 CCCCCC[Si](Cl)(Cl)C PI-38996 [0,1,0,0,0,0|1,1,0]=3 66 B9R0.46 C=CC(=O)OCCCCO PI-50413 [0,1,0,0,0,0|2,0,1]=4 67 B9R0.46 CCCCCCC(=O)NN PI-50289 [0,1,0,0,0,0|1,0,0]=2 68 B9R0.46 CCCCCCC(CO)O PI-44204 [0,1,0,0,0,0|0,0,2]=3 69 B9R0.46 CCOCCOC(=O)CCl PI-22753 [0,1,0,0,0,0|2,0,0]=3 70 B9R0.46 COC(=O)CCCCCO PI-45931 [0,1,0,0,0,0|1,0,0]=2 71 B9R0.46 O=C(OC)CCCCCBr PI-40016 [0,1,0,0,0,0|1,0,0]=2 72 B9R0.47 C(CCN)CC(C(=O)O)N PI-14281 [0,1,0,0,0,0|2,0,0]=3 73 B9R0.47 CCCCCC(N)C(=O)O PI-17287 [0,1,0,0,0,0|1,0,0]=2 74 B9R0.47 CCSCCC(C(=O)O)N PI-38397 [0,1,0,0,0,0|2,0,0]=3 75 B9R0.47 NCCCC[C@@H](N)C(=O)O PI-14280 [0,1,0,0,0,0|2,0,0]=3 76 B9R0.47 NCCCC[C@H](C(=O)O)N PI-22775 [0,1,0,0,0,0|2,0,0]=3 77 B9R0.47 O=C(O)[C@@H](N)CCCCN PI-41533 [0,1,0,0,0,0|2,0,0]=3 78 B9R0.48 CCOC(=O)CCC(=O)Cl PI-12811 [0,1,0,0,0,0|2,0,1]=4 79 B9R0.48 CCOC(=O)CNC(=O)C PI-33248 [0,1,0,0,0,0|2,0,1]=4 80 B9R0.55 CC(=O)NCCCC(=O)O PI-26540 [0,1,0,0,0,0|2,0,1]=4 81 B9R1.2 CCN1CCCC(C1)N PI-35816 [0,0,0,1,0,0|2,0,1]=4 82 B9R1.2 CCN1CCCC(C1)O PI-43238 [0,0,0,1,0,0|1,0,2]=4 83 B9R1.2 CN1CCCC(C1)CO PI-46014 [0,0,0,1,0,0|3,0,0]=4 84 B9R1.6 C1CC(CC=C1)C(=O)O PI-41428 [0,0,0,1,0,0|1,0,2]=4 85 B9R1.6 C1CC(CNC1)C(=O)N PI-33281 [0,0,0,1,0,0|2,0,0]=3 86 B9R1.6 C1CC(CNC1)C(=O)O PI-21884 [0,0,0,1,0,0|2,0,0]=3 87 B9R1.6 C1CC(CNC1)C(=O)O PI-25607 [0,0,0,1,0,0|2,0,0]=3 88 B9R1.6 C1CCC(=CC1)C(=O)O PI-34191 [0,0,0,1,0,0|1,0,2]=4 89 B9R1.6 C1CCC(CC1)C(=O)N PI-30065 [0,0,0,1,0,0|1,0,0]=2 90 B9R1.6 C1CCN(CC1)C(=O)O PI-13305 [0,0,0,1,0,0|2,0,0]=3 91 B9R1.6 C1CCNC(C1)C(=O)O PI-16483 [0,0,0,1,0,0|2,0,0]=3 92 B9R1.6 C1CN(CCN1)C(=O)N PI-45618 [0,0,0,1,0,0|3,0,0]=4 93 B9R1.6 C1CNCCC1C(=O)O PI-10271 [0,0,0,1,0,0|2,0,0]=3 94 B9R1.6 C1CNCCC1C(=O)O PI-32117 [0,0,0,1,0,0|2,0,0]=3 95 B9R1.6 C1COC(CO1)C(=O)O PI-41690 [0,0,0,1,0,0|3,0,0]=4 96 B9R1.6 C1COCCC1C(=O)N PI-40557 [0,0,0,1,0,0|2,0,0]=3 97 B9R1.6 C1CSCC(N1)C(=O)O PI-17982 [0,0,0,1,0,0|3,0,0]=4 98 B9R1.6 C1CSCCC1C(=O)O PI-48819 [0,0,0,1,0,0|2,0,0]=3 99 B9R1.6 CC(=O)C1=CCCCC1 PI-26979 [0,0,0,1,0,0|0,0,2]=3 100 B9R1.6 CC(=O)N1CCNCC1 PI-24100 [0,0,0,1,0,0|2,0,0]=3 101 B9R1.6 CC(=O)N1CCOCC1 PI-32154 [0,0,0,1,0,0|2,0,0]=3 102 B9R1.6 CC(C1CCCCC1)N PI-43987 [0,0,0,1,0,0|1,0,1]=3 103 B9R1.6 CC(C1CCCCC1)N PI-44012 [0,0,0,1,0,0|1,0,1]=3 104 B9R1.6 CC(C1CCCCC1)N PI-44013 [0,0,0,1,0,0|1,0,1]=3 105 B9R1.6 CC(C1CCOCC1)=O PI-42683 [0,0,0,1,0,0|1,0,0]=2 106 B9R1.6 CN(C)C1CCCNC1 PI-23400 [0,0,0,1,0,0|3,0,0]=4 107 B9R1.6 CN(C)C1CCCNC1 PI-43350 [0,0,0,1,0,0|3,0,0]=4 108 B9R1.6 CN(C)C1CCNCC1 PI-11072 [0,0,0,1,0,0|3,0,0]=4 109 B9R1.6 CN(C)C1CCNCC1 PI-43349 [0,0,0,1,0,0|3,0,0]=4 110 B9R1.6 ClC(=O)N1CCOCC1 PI-34246 [0,0,0,1,0,0|3,0,0]=4 111 B9R1.6 NC(=O)C1CCNCC1 PI-31480 [0,0,0,1,0,0|2,0,0]=3 112 B9R1.6 O=C(Cl)C1CCOCC1 PI-41795 [0,0,0,1,0,0|2,0,0]=3 113 B9R1.6 OB(C1CCCCC1)O PI-25580 [0,0,0,1,0,0|2,0,1]=4 114 B9R1.6 OC(=O)C1CCCCC1 PI-34204 [0,0,0,1,0,0|1,0,0]=2 115 B9R1.6 OC(=O)C1CCCCN1 PI-16286 [0,0,0,1,0,0|2,0,0]=3 116 B9R1.6 OC(=O)C1CCCOC1 PI-39358 [0,0,0,1,0,0|2,0,0]=3 117 B9R1.6 OC(=O)C1CNCCN1 PI-15698 [0,0,0,1,0,0|3,0,0]=4 118 B9R1.6 OC(=O)C1NCCNC1 PI-10270 [0,0,0,1,0,0|3,0,0]=4 119 B9R1.6 OC(=O)[C@@H]1CCC=CC1 PI-41429 [0,0,0,1,0,0|1,0,2]=4 120 B9R1.6 OC(=O)[C@@H]1CCCCN1 PI-10137 [0,0,0,1,0,0|2,0,0]=3 121 B9R1.6 OC(=O)[C@@H]1CNCCN1 PI-10140 [0,0,0,1,0,0|3,0,0]=4 122 B9R1.6 OC(=O)[C@@H]1CSCCN1 PI-36417 [0,0,0,1,0,0|3,0,0]=4 123 B9R1.6 OC(=O)[C@@H]1NCCNC1 PI-10335 [0,0,0,1,0,0|3,0,0]=4 124 B9R1.6 OC(=O)[C@H]1CCCCN1 PI-10136 [0,0,0,1,0,0|2,0,0]=3 125 B9R1.6 OC(=O)[C@H]1CCCNC1 PI-21885 [0,0,0,1,0,0|2,0,0]=3 126 B9R1.6 OC(=O)[C@H]1CNCCN1 PI-10164 [0,0,0,1,0,0|3,0,0]=4 127 B9R1.6 OC(=O)[C@H]1NCCNC1 PI-18225 [0,0,0,1,0,0|3,0,0]=4 128 B9R1.7 CCCC1=NNC(=O)C1 PI-19398 [0,0,0,1,0,0|2,0,1]=4 129 B9R1.7 CCCC1CC(=O)OC1 PI-44369 [0,0,0,1,0,0|1,0,0]=2 130 B9R1.13 C1CC(NC1)CC(=O)O PI-27684 [0,0,0,1,0,0|2,0,0]=3 131 B9R1.13 C1CC(NC1)CC(=O)O PI-43782 [0,0,0,1,0,0|2,0,0]=3 132 B9R1.13 C1COCC1CC(=O)O PI-45427 [0,0,0,1,0,0|2,0,0]=3 133 B9R1.13 CC(=O)NC1CCNC1 PI-26105 [0,0,0,1,0,0|2,0,0]=3 134 B9R1.13 CC(=O)NC1CCNC1 PI-26911 [0,0,0,1,0,0|2,0,0]=3 135 B9R1.13 CC(=O)NC1CCNC1 PI-27087 [0,0,0,1,0,0|2,0,0]=3 136 B9R1.13 CN(C)CC1CNCC1 PI-36290 [0,0,0,1,0,0|3,0,0]=4 137 B9R1.13 ClC(=O)OC1CCCC1 PI-24448 [0,0,0,1,0,0|2,0,0]=3 138 B9R1.41 C1CC(C(C1)N)C(=O)O PI-36305 [0,0,0,1,0,0|2,0,0]=3 139 B9R1.41 CC(=O)N1CCCC1=O PI-29978 [0,0,0,1,0,0|2,0,1]=4 140 B9R1.41 CN1CCCC1C(=O)O PI-43187 [0,0,0,1,0,0|2,0,0]=3 141 B9R1.48 C1CCC(=O)CC(=O)C1 PI-35810 [0,0,0,1,0,0|1,0,1]=3 142 B9R1.50 C1CCCNC(=O)CC1 PI-38929 [0,0,0,1,0,0|1,0,0]=2 143 B9R1.84 C1CC(C1)CCC(=O)O PI-33316 [0,0,0,1,0,0|1,0,0]=2 144 B9R1.85 C1CC1COCC(=O)O PI-48044 [0,0,0,1,0,0|2,0,0]=3 145 B6R0.6 BrCCCCC=C PI-39147 [2,0,0,0,0,0|1,0,1]=4 146 B6R0.6 C(CCBr)CCBr PI-44626 [2,0,0,0,0,0|2,0,0]=4 147 B6R0.6 C(CCN)CCN PI-46858 [2,0,0,0,0,0|2,0,0]=4 148 B6R0.6 C(CCO)CCCl PI-44261 [2,0,0,0,0,0|1,0,1]=4 149 B6R0.6 C(CCS)CCS PI-11006 [2,0,0,0,0,0|1,1,0]=4 150 B6R0.6 CCCCCCN PI-46860 [2,0,0,0,0,0|1,0,0]=3 151 B6R0.6 CCCCCNC PI-21907 [2,0,0,0,0,0|1,0,0]=3 152 B6R0.6 CCCOCCCl PI-47054 [2,0,0,0,0,0|2,0,0]=4 153 B6R0.6 CCCSCCC PI-48482 [2,0,0,0,0,0|1,0,0]=3 154 B6R0.6 CCC\C=C\C=O PI-40157 [2,0,0,0,0,0|0,0,2]=4 155 B6R0.6 CNCCCNC PI-32197 [2,0,0,0,0,0|2,0,0]=4 156 B6R0.6 COCCCCBr PI-39605 [2,0,0,0,0,0|2,0,0]=4 157 B6R0.6 ClCCCCC=O PI-34745 [2,0,0,0,0,0|1,0,0]=3 158 B6R0.6 ClCCCCCBr PI-10753 [2,0,0,0,0,0|2,0,0]=4 159 B6R0.4 CC(NCCS)=O PI-37034 [2,0,0,0,0,0|2,0,0]=4 160 B6R0.4 CCCCC(=O)[O-] PI-46856 [2,0,0,0,0,0|1,0,0]=3 161 B6R0.4 CCCCC(C)O PI-42555 [2,0,0,0,0,0|0,0,2]=4 162 B6R0.4 CCCC[C@@H](C)O PI-49839 [2,0,0,0,0,0|0,0,2]=4 163 B6R0.4 CCCNC(=O)N PI-19783 [2,0,0,0,0,0|2,0,0]=4 164 B6R0.4 CCNCC(=O)O PI-43211 [2,0,0,0,0,0|2,0,0]=4 165 B6R0.4 CSCCC(=O)O PI-31992 [2,0,0,0,0,0|2,0,0]=4 166 B6R0.4 ClCCCC(=O)C PI-39487 [2,0,0,0,0,0|1,0,0]=3 167 B6R0.4 NCCCC(=O)O PI-35917 [2,0,0,0,0,0|2,0,0]=4 168 B6R0.4 O=C(O)CCCBr PI-40017 [2,0,0,0,0,0|2,0,0]=4 169 B6R0.4 O=C(O)CCCCl PI-41227 [2,0,0,0,0,0|2,0,0]=4 170 B6R0.4 OCCCC(=O)C PI-13555 [2,0,0,0,0,0|1,0,0]=3 171 B8R0.1 CCCCC(CCC)O PI-46865 [1,1,0,0,0,0|0,0,1]=3 172 B8R0.4 CCCCCC#CCBr PI-22217 [1,1,0,0,0,0|0,0,2]=4 173 B8R0.4 CCCCCC=CCO PI-26231 [1,1,0,0,0,0|0,0,1]=3 174 B8R0.4 CCCCCCCCBr PI-44631 [1,1,0,0,0,0|0,0,1]=3 175 B8R0.4 CCCCCCCCCl PI-44615 [1,1,0,0,0,0|0,0,1]=3 176 B8R0.4 CCCCC\C=C\C=O PI-38486 [1,1,0,0,0,0|0,0,1]=3 177 B8R0.4 CCCCNCCC#N PI-22875 [1,1,0,0,0,0|1,0,1]=4 178 B8R0.4 CCCCSCCCC PI-48485 [1,1,0,0,0,0|0,0,1]=3 179 B8R0.4 COCCNCCOC PI-42682 [1,1,0,0,0,0|2,0,0]=4 180 B8R0.4 OCCCCCCC#C PI-40903 [1,1,0,0,0,0|0,0,2]=4 181 B8R0.6 C(CC=O)CC(C=O)O PI-42094 [1,1,0,0,0,0|1,0,1]=4 182 B8R0.6 CCCCCC(C=C)O PI-39433 [1,1,0,0,0,0|0,0,1]=3 183 B8R0.6 CCCCCC(CC)O PI-42991 [1,1,0,0,0,0|0,0,1]=3 184 B8R0.6 CCCCC[C@@H](C=C)O PI-49834 [1,1,0,0,0,0|0,0,1]=3 185 B8R0.8 C(CC(C(=O)O)N)CN PI-15758 [1,1,0,0,0,0|2,0,0]=4 186 B8R0.8 C(CC(C(=O)O)N)CN PI-42140 [1,1,0,0,0,0|2,0,0]=4 187 B8R0.8 CCCCC(=O)C(=O)O PI-50172 [1,1,0,0,0,0|1,0,1]=4 188 B8R0.8 CCCCC(C(=O)O)Br PI-44233 [1,1,0,0,0,0|1,0,0]=3 189 B8R0.8 CSCCC(C(=O)O)N PI-16565 [1,1,0,0,0,0|2,0,0]=4 190 B8R0.8 C[Se]CC[C@H](N)C(=O)O PI-31833 [1,1,0,0,0,0|2,0,0]=4 191 B8R0.8 N[C@H](C(=O)O)CCCN PI-31147 [1,1,0,0,0,0|2,0,0]=4 192 B8R0.9 CCC(C)CCC(O)=O PI-37097 [1,1,0,0,0,0|1,0,0]=3 193 B8R0.21 CCCCOS(=O)(=O)C PI-25287 [1,1,0,0,0,0|2,0,0]=4 194 B8R0.28 CC(=O)CCCC(=O)C PI-42581 [1,1,0,0,0,0|0,0,1]=3 195 B8R0.28 CC(C)CCCC(=O)C PI-47229 [1,1,0,0,0,0|0,0,0]=2 196 B8R0.28 CN(C)CCCC(=O)O PI-29854 [1,1,0,0,0,0|2,0,0]=4 197 B10R0.3 CCOC(=O)CCCC(=O)O PI-19044 [0,2,0,0,0,0|1,0,1]=4 198 B10R0.59 COC(=O)CCCC(=O)OC PI-44636 [0,2,0,0,0,0|1,0,1]=4 199 B10R0.98 CN(C)CCCC(C(=O)O)N PI-45004 [0,2,0,0,0,0|2,0,0]=4 200 B10R0.4 BrCCCCCCCC(=O)O PI-14490 [0,2,0,0,0,0|1,0,0]=3 201 B10R0.4 C(CCCC(=O)O)CCCO PI-20834 [0,2,0,0,0,0|1,0,0]=3 202 B10R0.4 C(COCCOCC(=O)O)N PI-49367 [0,2,0,0,0,0|2,0,0]=4 203 B10R0.4 CCCCCCCCC(=O)[O-] PI-46868 [0,2,0,0,0,0|1,0,0]=3 204 B10R0.4 CCCCCCCCC(=O)[O-] PI-47228 [0,2,0,0,0,0|1,0,0]=3 205 B10R0.4 CCCCNCCNC(C)C PI-22953 [0,2,0,0,0,0|1,0,1]=4 206 B10R0.4 CS(=O)CCCCCN=C=S PI-21700 [0,2,0,0,0,0|1,0,1]=4 207 B10R0.4 NCCCCCCCC(=O)O PI-24013 [0,2,0,0,0,0|1,0,0]=3 208 B10R0.6 C(CCN)CC(CC(=O)O)N PI-43593 [0,2,0,0,0,0|1,0,0]=3 209 B10R0.22 CCCCCCCP(=O)(Cl)Cl PI-29909 [0,2,0,0,0,0|2,0,0]=4 210 B10R0.22 CCCCCCCS(=O)(=O)[O-] PI-15986 [0,2,0,0,0,0|2,0,0]=4 211 B10R0.55 COC(=O)CCCCC(=O)O PI-25751 [0,2,0,0,0,0|1,0,1]=4 212 B10R0.74 CCCCCCCC(=O)NN PI-50239 [0,2,0,0,0,0|1,0,0]=3 213 B10R0.74 CCCCCCNC(=S)NN PI-20721 [0,2,0,0,0,0|1,1,0]=4 214 B10R0.74 CCCCCCOC(=O)CN PI-15958 [0,2,0,0,0,0|0,0,0]=2 215 B10R0.75 C(CO)CSCC(C(=O)O)N PI-18144 [0,2,0,0,0,0|2,0,0]=4 216 B10R0.75 CCCCCCC(N)C(=O)O PI-30827 [0,2,0,0,0,0|1,0,0]=3 217 B10R0.78 CCCCC(C)CCC(=O)O PI-24483 [0,2,0,0,0,0|1,0,0]=3 218 B10R0.97 OC(=O)CCCCCC(=O)O PI-10808 [0,2,0,0,0,0|1,0,1]=4 219 B10R0.87 CC(=O)OC(CCCBr)CBr PI-25318 [0,2,0,0,0,0|2,0,0]=4 220 B10R0.5 CCCCCC(N)P(=O)(O)O PI-17014 [0,2,0,0,0,0|2,0,0]=4 221 B10R0.62 CCCCCCC(C)(CC)O PI-30303 [0,2,0,0,0,0|0,0,2]=4 222 B10R0.1 BrCCCCCC(=O)OCC PI-21505 [0,2,0,0,0,0|1,0,0]=3 223 B10R0.1 CCCCCCC(C)N=C=S PI-14646 [0,2,0,0,0,0|0,1,1]=4 224 B10R0.1 CCOC(=O)CCCCCO PI-45932 [0,2,0,0,0,0|1,0,0]=3 225 B10R0.83 COC(=O)C(CCCCN)N PI-33226 [0,2,0,0,0,0|1,0,0]=3 226 B10R0.83 COC(=O)C(CCCCN)N PI-42164 [0,2,0,0,0,0|1,0,0]=3 227 B10R0.26 CCCS(=O)CC(C(=O)O)N PI-48456 [0,2,0,0,0,0|2,0,0]=4 228 B10R0.86 CNC(CCCCN)C(=O)O PI-43859 [0,2,0,0,0,0|2,0,0]=4 229 B8R1.2 BrCC1CCCCC1 PI-33021 [1,0,0,1,0,0|1,0,1]=4 230 B8R1.2 BrCC1CCCOC1 PI-39467 [1,0,0,1,0,0|2,0,0]=4 231 B8R1.2 C(=O)C1CCC=CC1 PI-38079 [1,0,0,1,0,0|0,0,2]=4 232 B8R1.2 C1CC(CNC1)CN PI-11064 [1,0,0,1,0,0|2,0,0]=4 233 B8R1.2 C1CC(CNC1)CO PI-11066 [1,0,0,1,0,0|2,0,0]=4 234 B8R1.2 C1CCC(CC1)C#N PI-34206 [1,0,0,1,0,0|1,0,1]=4 235 B8R1.2 C1CCC(CC1)CI PI-44086 [1,0,0,1,0,0|1,0,1]=4 236 B8R1.2 C1CCC(CC1)NN PI-17833 [1,0,0,1,0,0|2,0,0]=4 237 B8R1.2 C1CCC(CC1)NO PI-17940 [1,0,0,1,0,0|1,0,1]=4 238 B8R1.2 C1CCC(CC1)ON PI-47245 [1,0,0,1,0,0|2,0,0]=4 239 B8R1.2 C1CCN(CC1)C=O PI-33110 [1,0,0,1,0,0|1,0,0]=3 240 B8R1.2 C1CCNC(C1)C=O PI-13254 [1,0,0,1,0,0|1,0,0]=3 241 B8R1.2 C1CN(CCN1)C=O PI-16401 [1,0,0,1,0,0|2,0,0]=4 242 B8R1.2 C1CNCCC1C=O PI-13255 [1,0,0,1,0,0|1,0,0]=3 243 B8R1.2 C1C[C@@H](CNC1)CO PI-48081 [1,0,0,1,0,0|2,0,0]=4 244 B8R1.2 CCC1CCCCN1 PI-11060 [1,0,0,1,0,0|1,0,1]=4 245 B8R1.2 CCC1CNCCN1 PI-40004 [1,0,0,1,0,0|2,0,0]=4 246 B8R1.2 CNC1CCCNC1 PI-11067 [1,0,0,1,0,0|2,0,0]=4 247 B8R1.2 CNC1CCNCC1 PI-43342 [1,0,0,1,0,0|2,0,0]=4 248 B8R1.2 CNC1CCNCC1 PI-43343 [1,0,0,1,0,0|2,0,0]=4 249 B8R1.2 CNC1CCOCC1 PI-38449 [1,0,0,1,0,0|2,0,0]=4 250 B8R1.2 COC1CCCNC1 PI-36380 [1,0,0,1,0,0|2,0,0]=4 251 B8R1.2 COC1CCCNC1 PI-43328 [1,0,0,1,0,0|2,0,0]=4 252 B8R1.2 COC1CCNCC1 PI-39354 [1,0,0,1,0,0|2,0,0]=4 253 B8R1.2 COC1CCNCC1 PI-39359 [1,0,0,1,0,0|2,0,0]=4 254 B8R1.2 NCC1CCCCC1 PI-34207 [1,0,0,1,0,0|1,0,1]=4 255 B8R1.2 O=CC1CCCCC1 PI-11615 [1,0,0,1,0,0|0,0,0]=2 256 B8R1.2 OCC1CCCCC1 PI-15325 [1,0,0,1,0,0|0,0,2]=4 257 B8R1.5 C1CCC(=O)C(C1)O PI-29668 [1,0,0,1,0,0|1,0,0]=3 258 B8R1.5 C1CNCC(C1=O)F PI-48942 [1,0,0,1,0,0|2,0,0]=4 259 B8R1.5 CC1=NCCCN1C PI-44800 [1,0,0,1,0,0|2,0,0]=4 260 B8R1.5 CC1=NCCCN1C PI-44822 [1,0,0,1,0,0|2,0,0]=4 261 B8R1.5 CC1CCCCC1N PI-13571 [1,0,0,1,0,0|1,0,1]=4 262 B8R1.5 CC1CNCCC1=O PI-43304 [1,0,0,1,0,0|1,0,0]=3 263 B8R1.5 O=C1CCCCC1=O PI-20909 [1,0,0,1,0,0|1,0,1]=4 264 B8R1.5 O=C1CCOCC1F PI-39023 [1,0,0,1,0,0|2,0,0]=4 265 B8R1.5 O=C1NCCCC1O PI-41426 [1,0,0,1,0,0|2,0,0]=4 266 B8R1.8 CNCC1CCCO1 PI-45431 [1,0,0,1,0,0|2,0,0]=4 267 B8R1.8 COC[C@@H]1CCCN1 PI-35918 [1,0,0,1,0,0|2,0,0]=4 268 B8R1.8 O=C=NC1CCCC1 PI-26670 [1,0,0,1,0,0|1,0,1]=4 269 B8R1.11 C1CC(C(=O)C1)C#N PI-20920 [1,0,0,1,0,0|1,0,1]=4 270 B8R1.11 CCN1CCCC1=O PI-12779 [1,0,0,1,0,0|1,0,0]=3 271 B8R1.11 CN1CCCC1CO PI-28906 [1,0,0,1,0,0|2,0,0]=4 272 B8R1.11 OC[C@H]1N(C)CCC1 PI-28408 [1,0,0,1,0,0|2,0,0]=4 273 B8R1.22 C1CC(=O)CCC=C1 PI-13020 [1,0,0,1,0,0|0,0,2]=4 274 B8R1.22 C1CC(=O)CCNC1 PI-40192 [1,0,0,1,0,0|1,0,0]=3 275 B8R1.22 C1CCNCC(C1)N PI-15948 [1,0,0,1,0,0|2,0,0]=4 276 B8R1.22 C1CNCCNC1=O PI-35483 [1,0,0,1,0,0|2,0,0]=4 277 B8R1.22 CN1CCCNCC1 PI-34064 [1,0,0,1,0,0|2,0,0]=4 278 B8R1.22 O=C1CNCCCN1 PI-34767 [1,0,0,1,0,0|2,0,0]=4 279 B8R1.36 CCCNCC1CC1 PI-13558 [1,0,0,1,0,0|1,0,1]=4 280 B8R1.1 C1CC(=O)NC1CO PI-35695 [1,0,0,1,0,0|2,0,0]=4 281 B8R1.1 CCC1COC(=O)O1 PI-50185 [1,0,0,1,0,0|2,0,0]=4 282 B8R1.1 OC[C@@H]1CCC(=O)N1 PI-35779 [1,0,0,1,0,0|2,0,0]=4 283 B8R1.1 OC[C@@H]1CCC(=O)O1 PI-27485 [1,0,0,1,0,0|2,0,0]=4 284 B8R1.4 CC1CCCC(=O)N1 PI-35204 [1,0,0,1,0,0|1,0,0]=3 285 B8R1.4 O=C1CCCC(=O)C1 PI-32070 [1,0,0,1,0,0|1,0,1]=4 286 B8R1.4 O=C1CCC[C@@H](C)O1 PI-27587 [1,0,0,1,0,0|1,0,0]=3 287 B8R1.4 O=C1CCOC(C1)C PI-40554 [1,0,0,1,0,0|1,0,0]=3 288 B8R1.4 O=C1NCCC(O)C1 PI-37263 [1,0,0,1,0,0|2,0,0]=4 289 B8R1.4 O=C1NCCN(C)C1 PI-41916 [1,0,0,1,0,0|2,0,0]=4 290 B8R1.7 C1CC(NC1)C(=O)O PI-44957 [1,0,0,1,0,0|2,0,0]=4 291 B8R1.7 C1CC(OC1)C(=O)O PI-31322 [1,0,0,1,0,0|2,0,0]=4 292 B8R1.7 C1CC(OC1)C(=O)O PI-31323 [1,0,0,1,0,0|2,0,0]=4 293 B8R1.7 C1CNCC1C(=O)O PI-25815 [1,0,0,1,0,0|2,0,0]=4 294 B8R1.7 C1COCC1C(=O)O PI-42680 [1,0,0,1,0,0|2,0,0]=4 295 B8R1.7 CC(=O)C1CCCC1 PI-38161 [1,0,0,1,0,0|0,0,0]=2 296 B8R1.7 CC(=O)C1CCOC1 PI-42706 [1,0,0,1,0,0|1,0,0]=3 297 B8R1.7 ClC(=O)C1CCCC1 PI-39144 [1,0,0,1,0,0|1,0,0]=3 298 B8R1.7 NC(=O)[C@@H]1CCCN1 PI-10274 [1,0,0,1,0,0|2,0,0]=4 299 B8R1.7 NC(=O)[C@@H]1CCCN1 PI-16579 [1,0,0,1,0,0|2,0,0]=4 300 B8R1.7 NC(=O)[C@H]1CCCN1 PI-16293 [1,0,0,1,0,0|2,0,0]=4 301 B8R1.7 OC(=O)C1CCCC1 PI-39143 [1,0,0,1,0,0|1,0,0]=3 302 B8R1.7 OC(=O)C1CCCO1 PI-33719 [1,0,0,1,0,0|2,0,0]=4 303 B8R1.7 OC(=O)C1CNCC1 PI-36920 [1,0,0,1,0,0|2,0,0]=4 304 B8R1.7 OC(=O)[C@H]1CCCN1 PI-31157 [1,0,0,1,0,0|2,0,0]=4 305 B8R1.34 CC(=O)NC1CNC1 PI-39138 [1,0,0,1,0,0|2,0,0]=4 306 B8R1.72 CC1(O)CCCCC1 PI-36472 [1,0,0,1,0,0|0,0,2]=4 307 B10R1.13 C1CC(CCC1C(=O)O)O PI-41501 [0,1,0,1,0,0|1,0,0]=3 308 B10R1.13 CC(=O)N1CCC(CC1)O PI-43312 [0,1,0,1,0,0|1,0,0]=3 309 B10R1.13 CN1CCC(CC1)C(=O)O PI-24582 [0,1,0,1,0,0|2,0,0]=4 310 B10R1.13 NC1CCC(CC1)C(=O)O PI-17553 [0,1,0,1,0,0|1,0,0]=3 311 B10R1.13 NC1CCC(CC1)C(=O)O PI-36878 [0,1,0,1,0,0|1,0,0]=3 312 B10R1.13 N[C@H]1CC[C@H](N(C)C)CC1 PI-40980 [0,1,0,1,0,0|2,0,0]=4 313 B10R1.14 COC(=O)C1CCC(=O)C1 PI-42489 [0,1,0,1,0,0|1,0,1]=4 314 B10R1.54 CC(C)CC1COC(=O)N1 PI-35871 [0,1,0,1,0,0|2,0,0]=4 315 B10R1.54 CC(C)CC1COC(=O)N1 PI-35872 [0,1,0,1,0,0|2,0,0]=4 316 B10R1.18 C1CCC(=CC1)CC(=O)O PI-46491 [0,1,0,1,0,0|1,0,1]=4 317 B10R1.18 C1CCC(CC1)NC(=O)N PI-12282 [0,1,0,1,0,0|1,0,0]=3 318 B10R1.18 C1CCC(CC1)OC(=O)Cl PI-42237 [0,1,0,1,0,0|1,0,0]=3 319 B10R1.18 C1CNCCC1CC(=O)O PI-21883 [0,1,0,1,0,0|1,0,0]=3 320 B10R1.18 C1COCCN1CC(=O)O PI-48289 [0,1,0,1,0,0|2,0,0]=4 321 B10R1.18 CC(=O)CC1CCCCC1 PI-17830 [0,1,0,1,0,0|0,0,0]=2 322 B10R1.18 CC(=O)NC1CCNCC1 PI-40546 [0,1,0,1,0,0|1,0,0]=3 323 B10R1.18 CC(=O)OC1CCCC=C1 PI-38668 [0,1,0,1,0,0|0,0,2]=4 324 B10R1.18 CN(C)CC1CCNCC1 PI-43352 [0,1,0,1,0,0|2,0,0]=4 325 B10R1.18 O=C(O)CC1NCCNC1 PI-37079 [0,1,0,1,0,0|2,0,0]=4 326 B10R1.18 OC(=O)CC1CCCCC1 PI-11618 [0,1,0,1,0,0|1,0,0]=3 327 B10R1.18 OC(=O)CN1CCOCC1 PI-38565 [0,1,0,1,0,0|2,0,0]=4 328 B10R1.61 CN(C)C1CCCCC1N PI-33728 [0,1,0,1,0,0|2,0,0]=4 329 B10R1.61 CN1CCCCC1C(=O)O PI-25389 [0,1,0,1,0,0|1,0,0]=3 330 B10R1.61 CN1CCNCC1C(=O)O PI-35986 [0,1,0,1,0,0|2,0,0]=4 331 B10R1.66 ClC(=O)CCC1CCCC1 PI-25035 [0,1,0,1,0,0|1,0,0]=3 332 B10R1.66 OC(=O)CCC1CCCC1 PI-12731 [0,1,0,1,0,0|1,0,0]=3 333 B10R1.348 C1CCCC(CC1)C(=O)O PI-20907 [0,1,0,1,0,0|1,0,0]=3 334 B10R1.348 CC(=O)N1CCNCCC1 PI-29781 [0,1,0,1,0,0|1,0,0]=3 335 B10R1.370 [O-][N+](=O)CC1(O)CCCC1 PI-36158 [0,1,0,1,0,0|2,0,0]=4 336 B10R1.28 CC(C)(C)C1CCCCC1 PI-42268 [0,1,0,1,0,0|1,0,1]=4 337 B10R1.1 CCCC1CCC(CC1)O PI-36674 [0,1,0,1,0,0|0,0,2]=4 338 B10R1.1 CCCN1CCC(=O)CC1 PI-33319 [0,1,0,1,0,0|1,0,0]=3 339 B10R1.15 C1CCC(CC1)C(CO)N PI-42212 [0,1,0,1,0,0|1,0,1]=4 340 B10R1.15 C1COCCN1C(=O)CCl PI-23122 [0,1,0,1,0,0|2,0,0]=4 341 B10R1.15 COC(=O)C1CCCCC1 PI-34205 [0,1,0,1,0,0|0,0,0]=2 342 B10R1.15 COC(=O)C1CCCCN1 PI-25279 [0,1,0,1,0,0|1,0,0]=3 343 B10R1.15 COC(=O)C1CCCCN1 PI-33279 [0,1,0,1,0,0|1,0,0]=3 344 B10R1.15 COC(=O)C1CCCNC1 PI-25618 [0,1,0,1,0,0|1,0,0]=3 345 B10R1.15 COC(=O)C1CCNCC1 PI-24303 [0,1,0,1,0,0|1,0,0]=3 346 B10R1.15 COC(=O)C1CCOCC1 PI-40558 [0,1,0,1,0,0|1,0,0]=3 347 B10R1.15 COC(=O)C1CNCCN1 PI-36154 [0,1,0,1,0,0|2,0,0]=4 348 B10R1.15 COC(=O)N1CCNCC1 PI-43190 [0,1,0,1,0,0|2,0,0]=4 349 B10R1.15 COC(=O)[C@@H]1CCCCN1 PI-25280 [0,1,0,1,0,0|1,0,0]=3 350 B10R1.15 N[C@@H](C1CCCCC1)CO PI-42211 [0,1,0,1,0,0|1,0,1]=4 351 B10R1.149 COC(=O)C1CCCC1=O PI-12298 [0,1,0,1,0,0|1,0,1]=4 352 B10R1.149 COC(=O)C1CNCC1C PI-36282 [0,1,0,1,0,0|1,0,0]=3 353 B10R1.161 C1CCCC(=NO)CCC1 PI-30055 [0,1,0,1,0,0|0,0,1]=3 354 B10R1.23 C1CCC(C1)C(C(=O)O)N PI-18401 [0,1,0,1,0,0|1,0,0]=3 355 B10R1.23 C1CCC(C1)C(C(=O)O)N PI-43694 [0,1,0,1,0,0|1,0,0]=3 356 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 PI-48147 [0,1,0,1,0,0|2,0,0]=4 357 B10R1.23 OC(=O)C(N)C1COCC1 PI-36243 [0,1,0,1,0,0|2,0,0]=4 358 B10R1.113 C1CC(CC(C1)N)C(=O)O PI-30392 [0,1,0,1,0,0|1,0,0]=3 359 B10R1.113 CN1CCCC(C1)C(=O)O PI-24210 [0,1,0,1,0,0|2,0,0]=4 360 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O PI-42596 [0,1,0,1,0,0|2,0,0]=4 361 B10R1.113 O=C1CN(C(C)=O)CCC1 PI-40981 [0,1,0,1,0,0|1,0,1]=4 362 B10R1.113 OC1CNCC(C1)C(=O)O PI-36256 [0,1,0,1,0,0|2,0,0]=4 363 B10R1.363 C1CCC(CC1)(C(=O)O)N PI-45023 [0,1,0,1,0,0|1,0,0]=3 364 B10R1.363 C1CNCCC1(C(=O)O)N PI-48781 [0,1,0,1,0,0|2,0,0]=4 365 B10R1.363 C1CNCCC1(C(=O)O)N PI-48782 [0,1,0,1,0,0|2,0,0]=4 366 B10R1.363 C1COCCC1(C(=O)O)N PI-48862 [0,1,0,1,0,0|2,0,0]=4 367 B10R1.363 OC(=O)C1(C)CCCCN1 PI-36377 [0,1,0,1,0,0|2,0,0]=4 368 B10R1.140 CCOC(=O)C1CC(=O)C1 PI-38970 [0,1,0,1,0,0|1,0,1]=4 369 B10R1.128 CC1(CCNC1C(=O)O)C PI-48195 [0,1,0,1,0,0|2,0,0]=4 370 B10R1.128 CC1(CNCC1C(=O)O)C PI-25395 [0,1,0,1,0,0|2,0,0]=4 371 B10R1.128 O=C([C@H]1[N+](C)(C)CCC1)[O-] PI-41686 [0,1,0,1,0,0|2,0,0]=4 372 B10R1.128 [O-]C(=O)C1CCC[N+]1(C)C PI-20435 [0,1,0,1,0,0|2,0,0]=4 373 B10R2.61 C1CC2CC(C1)OC2=O PI-34881 [0,0,0,2,0,0|1,0,0]=3 374 B10R2.62 O=C1CN2CCC1CC2 PI-12323 [0,0,0,2,0,0|1,0,0]=3 375 B10R2.357 C1C2C1NC(C2)C(=O)N PI-42305 [0,0,0,2,0,0|2,0,0]=4 376 B10R2.357 NC(=O)[C@@H]1C[C@@H]2[C@H](N1)C2 PI-37483 [0,0,0,2,0,0|2,0,0]=4 377 B10R2.357 NC(=O)[C@@H]1C[C@H]2[C@@H](N1)C2 PI-37485 [0,0,0,2,0,0|2,0,0]=4 378 B10R2.357 O=C([C@H]1N[C@H]2C[C@H]2C1)N PI-42306 [0,0,0,2,0,0|2,0,0]=4 379 B10R2.2 NN1CC2C(C1)CCC2 PI-16776 [0,0,0,2,0,0|2,0,0]=4