0 B9R0.2 BrCCCCCCC(=O)O PI-36573 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.2 CC(=O)OCCCCCCl PI-44263 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.2 CC=CC=CCOC(=O)C PI-40367 [0,0,0,0,0,0|0,0,4]=4 3 B9R0.2 CCCCCCNC(=S)N PI-20722 [0,0,0,0,0,0|2,1,0]=3 4 B9R0.2 CCCCCCOC(=O)Cl PI-41139 [0,0,0,0,0,0|1,0,0]=1 5 B9R0.2 CCCCOC=CC(=O)Cl PI-44356 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.2 NCCCCCCC(=O)O PI-11340 [0,0,0,0,0,0|3,0,0]=3 7 B9R0.2 NCCCCCNC(=N)N PI-22838 [0,0,0,0,0,0|4,0,0]=4 8 B9R0.2 O=C(O)CCCCCCO PI-37225 [0,0,0,0,0,0|3,0,0]=3 9 B8R0.4 CCCCCCCCBr PI-44631 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.4 CCCCCCCCCl PI-44615 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.4 CCCCC\C=C\C=O PI-38486 [1,0,0,0,0,0|1,0,1]=3 12 B8R0.4 CCCCSCCCC PI-48485 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.4 CCOCCOCCBr PI-50169 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.7 B(CCCCCC)(O)O PI-25221 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.7 BrCCCCCC(=O)Cl PI-21506 [1,0,0,0,0,0|2,0,0]=3 16 B8R0.7 BrCCCCCC(=O)O PI-26630 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.7 C(CCC(=O)N)CCBr PI-21503 [1,0,0,0,0,0|2,0,0]=3 18 B8R0.7 CC(=O)OCCCSC PI-35854 [1,0,0,0,0,0|1,0,0]=2 19 B8R0.7 CCCCCCC(=O)[O-] PI-46862 [1,0,0,0,0,0|1,0,0]=2 20 B8R0.7 CCCCCCC(C)O PI-10350 [1,0,0,0,0,0|0,0,2]=3 21 B8R0.7 CCCCCOC(=O)Cl PI-24536 [1,0,0,0,0,0|1,0,0]=2 22 B8R0.7 CCCCCOC(=S)[S-] PI-47065 [1,0,0,0,0,0|1,1,0]=3 23 B8R0.7 CCOCCOC(=O)Cl PI-48465 [1,0,0,0,0,0|2,0,0]=3 24 B8R0.7 CCOCCOC(C)=O PI-12911 [1,0,0,0,0,0|1,0,0]=2 25 B8R0.7 ClCOCCOC(=O)C PI-36404 [1,0,0,0,0,0|2,0,0]=3 26 B8R0.7 O=C(O)CCCCCN PI-41159 [1,0,0,0,0,0|2,0,0]=3 27 B8R0.7 O=C(O)COCCCC PI-32593 [1,0,0,0,0,0|2,0,0]=3 28 B10R0.4 BrCCCCCCCC(=O)O PI-14490 [0,1,0,0,0,0|2,0,0]=3 29 B10R0.4 C(CCCC(=O)O)CCCO PI-20834 [0,1,0,0,0,0|2,0,0]=3 30 B10R0.4 C(COCCOCC(=O)O)N PI-49367 [0,1,0,0,0,0|3,0,0]=4 31 B10R0.4 CCCCCCCCC(=O)[O-] PI-46868 [0,1,0,0,0,0|2,0,0]=3 32 B10R0.4 CCCCCCCCC(=O)[O-] PI-47228 [0,1,0,0,0,0|2,0,0]=3 33 B10R0.4 CCCCNCCNC(C)C PI-22953 [0,1,0,0,0,0|2,0,1]=4 34 B10R0.4 NCCCCCCCC(=O)O PI-24013 [0,1,0,0,0,0|2,0,0]=3 35 B10R0.6 C(CCN)CC(CC(=O)O)N PI-43593 [0,1,0,0,0,0|3,0,0]=4 36 B10R0.22 CCCCCCCP(=O)(Cl)Cl PI-29909 [0,1,0,0,0,0|3,0,0]=4 37 B10R0.22 CCCCCCCS(=O)(=O)[O-] PI-15986 [0,1,0,0,0,0|3,0,0]=4 38 B10R0.74 CCCCCCCC(=O)NN PI-50239 [0,1,0,0,0,0|2,0,0]=3 39 B10R0.74 CCCCCCNC(=S)NN PI-20721 [0,1,0,0,0,0|2,1,0]=4 40 B10R0.74 CCCCCCOC(=O)CN PI-15958 [0,1,0,0,0,0|0,0,0]=1 41 B10R0.75 CCCCCCC(N)C(=O)O PI-30827 [0,1,0,0,0,0|2,0,0]=3 42 B10R0.78 CCCCC(C)CCC(=O)O PI-24483 [0,1,0,0,0,0|2,0,0]=3 43 B10R1.18 C1CCC(CC1)NC(=O)N PI-12282 [0,0,0,1,0,0|2,0,0]=3 44 B10R1.18 C1CCC(CC1)OC(=O)Cl PI-42237 [0,0,0,1,0,0|1,0,0]=2 45 B10R1.18 C1CNCCC1CC(=O)O PI-21883 [0,0,0,1,0,0|3,0,0]=4 46 B10R1.18 CC(=O)CC1CCCCC1 PI-17830 [0,0,0,1,0,0|1,0,0]=2 47 B10R1.18 CC(=O)NC1CCNCC1 PI-40546 [0,0,0,1,0,0|2,0,0]=3 48 B10R1.18 CC(=O)OC1CCCC=C1 PI-38668 [0,0,0,1,0,0|0,0,2]=3 49 B10R1.18 OC(=O)CC1CCCCC1 PI-11618 [0,0,0,1,0,0|2,0,0]=3 50 B10R1.61 CN1CCCCC1C(=O)O PI-25389 [0,0,0,1,0,0|3,0,0]=4 51 B10R1.66 ClC(=O)CCC1CCCC1 PI-25035 [0,0,0,1,0,0|2,0,0]=3 52 B10R1.66 OC(=O)CCC1CCCC1 PI-12731 [0,0,0,1,0,0|2,0,0]=3 53 B10R1.348 C1CCCC(CC1)C(=O)O PI-20907 [0,0,0,1,0,0|2,0,0]=3 54 B10R1.348 CC(=O)N1CCNCCC1 PI-29781 [0,0,0,1,0,0|2,0,0]=3 55 B7R0.1 CCCCCCCBr PI-44628 [2,0,0,0,0,0|1,0,1]=4 56 B7R0.1 CCCCCN=C=O PI-11407 [2,0,0,0,0,0|1,0,1]=4 57 B7R0.1 COCCCCCBr PI-50168 [2,0,0,0,0,0|1,0,0]=3 58 B7R0.1 OCCCCOC=C PI-12738 [2,0,0,0,0,0|1,0,1]=4 59 B7R0.4 BrCCCCC(=O)Cl PI-15616 [2,0,0,0,0,0|2,0,0]=4 60 B7R0.4 BrCCCCC(=O)O PI-11341 [2,0,0,0,0,0|2,0,0]=4 61 B7R0.4 C(CCBr)CC(=O)[O-] PI-41801 [2,0,0,0,0,0|2,0,0]=4 62 B7R0.4 C(CCCl)CC(=O)Cl PI-44721 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.4 CC(=O)CCCCCl PI-28023 [2,0,0,0,0,0|1,0,0]=3 64 B7R0.4 CCCCC[C@@H](C)O PI-49829 [2,0,0,0,0,0|0,0,2]=4 65 B7R0.4 CCCCOC(=S)[S-] PI-47064 [2,0,0,0,0,0|1,1,0]=4 66 B7R0.4 CCCOCC(=O)O PI-32592 [2,0,0,0,0,0|2,0,0]=4 67 B7R0.4 COCCOC(=O)C PI-12910 [2,0,0,0,0,0|1,0,0]=3 68 B7R0.4 NCCCCC(=O)O PI-30804 [2,0,0,0,0,0|2,0,0]=4 69 B7R0.4 OC(=O)CCCCN PI-40783 [2,0,0,0,0,0|2,0,0]=4 70 B9R0.45 C=CCCCCCCCBr PI-37398 [1,1,0,0,0,0|1,0,1]=4 71 B9R0.45 CCCCCCC=CCO PI-46869 [1,1,0,0,0,0|1,0,0]=3 72 B9R0.1 CC(CCOC(=O)Cl)OC PI-48462 [1,1,0,0,0,0|2,0,0]=4 73 B9R0.4 CCCCC(=O)CC(=O)C PI-36799 [1,1,0,0,0,0|0,0,1]=3 74 B9R0.4 CSCCC(CC(=O)O)N PI-43861 [1,1,0,0,0,0|2,0,0]=4 75 B9R0.38 CCCCCCP(=O)(O)O PI-40609 [1,1,0,0,0,0|2,0,0]=4 76 B9R0.38 CCCCCCS(=O)(=O)Cl PI-20719 [1,1,0,0,0,0|2,0,0]=4 77 B9R0.38 CCCCCCS(=O)(=O)[O-] PI-36859 [1,1,0,0,0,0|2,0,0]=4 78 B9R0.38 CCCCCC[Si](Cl)(Cl)C PI-38996 [1,1,0,0,0,0|1,1,0]=4 79 B9R0.47 C(CCN)CC(C(=O)O)N PI-14281 [1,1,0,0,0,0|2,0,0]=4 80 B9R0.47 CCCCCC(N)C(=O)O PI-17287 [1,1,0,0,0,0|1,0,0]=3 81 B9R0.47 CCSCCC(C(=O)O)N PI-38397 [1,1,0,0,0,0|2,0,0]=4 82 B9R0.47 NCCCC[C@@H](N)C(=O)O PI-14280 [1,1,0,0,0,0|2,0,0]=4 83 B9R0.47 NCCCC[C@H](C(=O)O)N PI-22775 [1,1,0,0,0,0|2,0,0]=4 84 B9R0.47 O=C(O)[C@@H](N)CCCCN PI-41533 [1,1,0,0,0,0|2,0,0]=4 85 B11R0.2 CCCCCCC(CC(=O)O)O PI-29567 [0,2,0,0,0,0|2,0,0]=4 86 B11R0.30 CC(=O)OCCOCOC(=O)C PI-44237 [0,2,0,0,0,0|1,0,1]=4 87 B11R0.30 CC(C)CCCCCCC(=O)O PI-29732 [0,2,0,0,0,0|2,0,0]=4 88 B11R0.42 CCCCCCCC(C(=O)O)N PI-29685 [0,2,0,0,0,0|2,0,0]=4 89 B11R0.42 CCCCCCCC(C(=O)O)O PI-29857 [0,2,0,0,0,0|2,0,0]=4 90 B11R0.46 CCCCCC(C)CCC(=O)O PI-29603 [0,2,0,0,0,0|2,0,0]=4 91 B11R0.46 CCCCCN(C)CCC(=O)O PI-21908 [0,2,0,0,0,0|2,0,0]=4 92 B11R0.148 BrCCCCCCCCC(=O)O PI-29582 [0,2,0,0,0,0|2,0,0]=4 93 B11R0.148 CCCCCCCC=CC(=O)O PI-40909 [0,2,0,0,0,0|2,0,0]=4 94 B11R0.148 CCCCCCC\C=C\C(O)=O PI-37211 [0,2,0,0,0,0|2,0,0]=4 95 B11R0.148 CCCCCC\C=C\CC(O)=O PI-37094 [0,2,0,0,0,0|2,0,0]=4 96 B11R0.176 CCOC(=O)CCCOC(=O)C PI-19370 [0,2,0,0,0,0|0,0,1]=3 97 B11R0.31 CC(C)(C)CCCCCC(=O)Cl PI-42241 [0,2,0,0,0,0|2,0,0]=4 98 B11R0.4 CCCCCC#CC(=O)OCC PI-19036 [0,2,0,0,0,0|1,0,1]=4 99 B11R0.4 CCOC(=O)CCCCCCBr PI-19404 [0,2,0,0,0,0|2,0,0]=4 100 B11R0.4 O=C(OCC)CCCCCCN PI-40332 [0,2,0,0,0,0|2,0,0]=4 101 B9R1.5 C1CCNC(=O)C(C1)N PI-27340 [1,0,0,1,0,0|2,0,0]=4 102 B9R1.5 C1CCNC(=O)C(C1)N PI-48189 [1,0,0,1,0,0|2,0,0]=4 103 B9R1.5 CN1CCCCCC1=O PI-15330 [1,0,0,1,0,0|2,0,0]=4 104 B9R1.8 C1CCC(CC1)OCCl PI-47095 [1,0,0,1,0,0|1,0,1]=4 105 B9R1.8 C1COCCC1CC=O PI-44982 [1,0,0,1,0,0|2,0,0]=4 106 B9R1.8 C1COCCC1CCBr PI-45411 [1,0,0,1,0,0|1,0,1]=4 107 B9R1.8 NCCC1CCOCC1 PI-10590 [1,0,0,1,0,0|1,0,1]=4 108 B9R1.15 COC1CCCCC1=O PI-28180 [1,0,0,1,0,0|2,0,0]=4 109 B9R1.50 C1CCCNC(=O)CC1 PI-38929 [1,0,0,1,0,0|1,0,0]=3 110 B9R1.89 C1CNCCN(C1)C=O PI-34065 [1,0,0,1,0,0|2,0,0]=4 111 B9R1.6 C1CC(CNC1)C(=O)N PI-33281 [1,0,0,1,0,0|2,0,0]=4 112 B9R1.6 C1CC(CNC1)C(=O)O PI-21884 [1,0,0,1,0,0|2,0,0]=4 113 B9R1.6 C1CC(CNC1)C(=O)O PI-25607 [1,0,0,1,0,0|2,0,0]=4 114 B9R1.6 C1CCC(CC1)C(=O)N PI-30065 [1,0,0,1,0,0|1,0,0]=3 115 B9R1.6 C1CCN(CC1)C(=O)O PI-13305 [1,0,0,1,0,0|2,0,0]=4 116 B9R1.6 C1CCNC(C1)C(=O)O PI-16483 [1,0,0,1,0,0|2,0,0]=4 117 B9R1.6 C1CNCCC1C(=O)O PI-10271 [1,0,0,1,0,0|2,0,0]=4 118 B9R1.6 C1CNCCC1C(=O)O PI-32117 [1,0,0,1,0,0|2,0,0]=4 119 B9R1.6 C1COCCC1C(=O)N PI-40557 [1,0,0,1,0,0|2,0,0]=4 120 B9R1.6 C1CSCCC1C(=O)O PI-48819 [1,0,0,1,0,0|2,0,0]=4 121 B9R1.6 CC(=O)C1=CCCCC1 PI-26979 [1,0,0,1,0,0|0,0,2]=4 122 B9R1.6 CC(=O)N1CCNCC1 PI-24100 [1,0,0,1,0,0|2,0,0]=4 123 B9R1.6 CC(=O)N1CCOCC1 PI-32154 [1,0,0,1,0,0|2,0,0]=4 124 B9R1.6 CC(C1CCCCC1)N PI-43987 [1,0,0,1,0,0|1,0,1]=4 125 B9R1.6 CC(C1CCCCC1)N PI-44012 [1,0,0,1,0,0|1,0,1]=4 126 B9R1.6 CC(C1CCCCC1)N PI-44013 [1,0,0,1,0,0|1,0,1]=4 127 B9R1.6 CC(C1CCOCC1)=O PI-42683 [1,0,0,1,0,0|1,0,0]=3 128 B9R1.6 NC(=O)C1CCNCC1 PI-31480 [1,0,0,1,0,0|2,0,0]=4 129 B9R1.6 O=C(Cl)C1CCOCC1 PI-41795 [1,0,0,1,0,0|2,0,0]=4 130 B9R1.6 OC(=O)C1CCCCC1 PI-34204 [1,0,0,1,0,0|1,0,0]=3 131 B9R1.6 OC(=O)C1CCCCN1 PI-16286 [1,0,0,1,0,0|2,0,0]=4 132 B9R1.6 OC(=O)C1CCCOC1 PI-39358 [1,0,0,1,0,0|2,0,0]=4 133 B9R1.6 OC(=O)[C@@H]1CCCCN1 PI-10137 [1,0,0,1,0,0|2,0,0]=4 134 B9R1.6 OC(=O)[C@H]1CCCCN1 PI-10136 [1,0,0,1,0,0|2,0,0]=4 135 B9R1.6 OC(=O)[C@H]1CCCNC1 PI-21885 [1,0,0,1,0,0|2,0,0]=4 136 B9R1.7 CCCC1CC(=O)OC1 PI-44369 [1,0,0,1,0,0|0,0,0]=2 137 B9R1.13 C1CC(NC1)CC(=O)O PI-27684 [1,0,0,1,0,0|2,0,0]=4 138 B9R1.13 C1CC(NC1)CC(=O)O PI-43782 [1,0,0,1,0,0|2,0,0]=4 139 B9R1.13 C1COCC1CC(=O)O PI-45427 [1,0,0,1,0,0|2,0,0]=4 140 B9R1.13 CC(=O)NC1CCNC1 PI-26105 [1,0,0,1,0,0|2,0,0]=4 141 B9R1.13 CC(=O)NC1CCNC1 PI-26911 [1,0,0,1,0,0|2,0,0]=4 142 B9R1.13 CC(=O)NC1CCNC1 PI-27087 [1,0,0,1,0,0|2,0,0]=4 143 B9R1.13 ClC(=O)OC1CCCC1 PI-24448 [1,0,0,1,0,0|1,0,0]=3 144 B9R1.41 C1CC(C(C1)N)C(=O)O PI-36305 [1,0,0,1,0,0|2,0,0]=4 145 B9R1.41 CN1CCCC1C(=O)O PI-43187 [1,0,0,1,0,0|2,0,0]=4 146 B9R1.48 C1CCC(=O)CC(=O)C1 PI-35810 [1,0,0,1,0,0|1,0,1]=4 147 B9R1.84 C1CC(C1)CCC(=O)O PI-33316 [1,0,0,1,0,0|1,0,0]=3 148 B9R1.85 C1CC1COCC(=O)O PI-48044 [1,0,0,1,0,0|2,0,0]=4 149 B11R1.91 C1CCC(CC1)CCC(=O)O PI-44417 [0,1,0,1,0,0|2,0,0]=4 150 B11R1.230 CC1CC(=O)OC1CCCC PI-27552 [0,1,0,1,0,0|2,0,0]=4 151 B11R1.20 CC(=O)NC1CCC(=O)CC1 PI-33791 [0,1,0,1,0,0|1,0,1]=4 152 B11R1.20 CC(=O)OC1CCN(CC1)C PI-34756 [0,1,0,1,0,0|1,0,0]=3 153 B11R1.20 OC1CCC(CC1)NC(=O)C PI-39206 [0,1,0,1,0,0|1,0,0]=3 154 B11R1.25 C1CC(OC1)CNC(=O)CCl PI-19531 [0,1,0,1,0,0|2,0,0]=4 155 B11R1.40 C1CCC(CC1)NC(=O)CCl PI-17332 [0,1,0,1,0,0|1,0,0]=3 156 B11R1.222 COC(=O)[C@@H]1CCCC[C@H]1N PI-49239 [0,1,0,1,0,0|2,0,0]=4 157 B11R1.36 C1CCC(CC1)C(C(=O)O)N PI-18187 [0,1,0,1,0,0|2,0,0]=4 158 B11R1.36 C1CCC(CC1)C(C(=O)O)N PI-25150 [0,1,0,1,0,0|2,0,0]=4 159 B11R1.36 C1CCC(CC1)C(C(=O)O)N PI-42144 [0,1,0,1,0,0|2,0,0]=4 160 B11R1.36 C1CCC(CC1)C(C(=O)O)N PI-42152 [0,1,0,1,0,0|2,0,0]=4 161 B11R1.36 C1CCC(CC1)C(C(=O)O)O PI-17832 [0,1,0,1,0,0|2,0,0]=4 162 B11R1.36 C1CCC(CC1)C(C(=O)O)O PI-30775 [0,1,0,1,0,0|2,0,0]=4 163 B11R1.36 O=C(O)[C@@H](N)C1CCCCC1 PI-42151 [0,1,0,1,0,0|2,0,0]=4 164 B11R1.234 CC(=O)OC1C(CCO1)(Cl)Cl PI-26131 [0,1,0,1,0,0|2,0,0]=4 165 B11R2.845 [O-]C(C1CC2CCC1C2)=O PI-48100 [0,0,0,2,0,0|2,0,0]=4 166 B11R2.432 O=C1C[C@H]2CC[C@@H](C1)N2C PI-15722 [0,0,0,2,0,0|2,0,0]=4