0 B6R0.4 B(CCCC)(O)O PI-16470 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.4 BrC\C=C\C(=O)O PI-36796 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.4 C#CCCC(=O)O PI-30018 [0,0,0,0,0,0|0,0,2]=2 3 B6R0.4 C(C(=O)O)NC=O PI-33231 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.4 C(CC(=O)O)C#N PI-35487 [0,0,0,0,0,0|1,0,1]=2 5 B6R0.4 C(CO[N+](=O)[O-])N PI-50153 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.4 CC(NCCS)=O PI-37034 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.4 CC=CCC(=O)O PI-47130 [0,0,0,0,0,0|0,0,2]=2 8 B6R0.4 CC=NNC(=O)N PI-26775 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.4 CCC#CC(C)O PI-10903 [0,0,0,0,0,0|1,0,3]=4 10 B6R0.4 CCCCC(=O)[O-] PI-46856 [0,0,0,0,0,0|0,0,1]=1 11 B6R0.4 CCCCC(C)O PI-42555 [0,0,0,0,0,0|1,0,1]=2 12 B6R0.4 CCCC[C@@H](C)O PI-49839 [0,0,0,0,0,0|1,0,1]=2 13 B6R0.4 CCCNC(=O)N PI-19783 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.4 CCNCC(=O)O PI-43211 [0,0,0,0,0,0|1,0,0]=1 15 B6R0.4 CN(C)CCCCl PI-50389 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.4 CN(C)CCCO PI-31996 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.4 CNCCN(C)C PI-39257 [0,0,0,0,0,0|4,0,0]=4 18 B6R0.4 CSCCC(=O)O PI-31992 [0,0,0,0,0,0|1,0,0]=1 19 B6R0.4 ClCCCC(=O)C PI-39487 [0,0,0,0,0,0|2,0,0]=2 20 B6R0.4 ClCCCN(C)C PI-34098 [0,0,0,0,0,0|4,0,0]=4 21 B6R0.4 NC(=O)NCC#C PI-38748 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.4 NCCCC(=O)O PI-35917 [0,0,0,0,0,0|1,0,0]=1 23 B6R0.4 O=C(O)CCCBr PI-40017 [0,0,0,0,0,0|1,0,0]=1 24 B6R0.4 O=C(O)CCCCl PI-41227 [0,0,0,0,0,0|1,0,0]=1 25 B6R0.4 OCCCC(=O)C PI-13555 [0,0,0,0,0,0|2,0,0]=2 26 B6R0.4 [O-]C(=O)CNCO PI-36238 [0,0,0,0,0,0|2,0,1]=3 27 B5R0.1 B(CCC)(O)O PI-35885 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.1 C(C#N)C(=O)[O-] PI-50587 [1,0,0,0,0,0|1,0,2]=4 29 B5R0.1 C(CBr)C(=O)Cl PI-47061 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.1 C(CCl)C(=O)Cl PI-48842 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.1 CC#CC(=O)O PI-12861 [1,0,0,0,0,0|0,0,2]=3 32 B5R0.1 CC(=C)CCBr PI-40493 [1,0,0,0,0,0|3,0,0]=4 33 B5R0.1 CC(=O)NCO PI-29791 [1,0,0,0,0,0|3,0,0]=4 34 B5R0.1 CC(CCO)O PI-15618 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.1 CC=CC(=O)C PI-45740 [1,0,0,0,0,0|1,0,2]=4 36 B5R0.1 CCCC(=O)N PI-32787 [1,0,0,0,0,0|1,0,0]=2 37 B5R0.1 CCCC(C)N PI-36925 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.1 CCCC(C)O PI-42533 [1,0,0,0,0,0|1,0,1]=3 39 B5R0.1 CCC[C@@H](O)C PI-42532 [1,0,0,0,0,0|1,0,1]=3 40 B5R0.1 CCOC(=O)C PI-13192 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.1 CCOC(=S)[S-] PI-47063 [1,0,0,0,0,0|1,2,0]=4 42 B5R0.1 CCSC(=O)C PI-48509 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.1 CCSC(=O)Cl PI-38596 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.1 CNCC(=O)O PI-45053 [1,0,0,0,0,0|1,0,0]=2 45 B5R0.1 COCC(O)C PI-12912 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.1 CSCC(=O)N PI-36555 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.1 C\C=C\C(=O)N PI-50568 [1,0,0,0,0,0|1,0,2]=4 48 B5R0.1 C\C=C\C(=O)O PI-48966 [1,0,0,0,0,0|0,0,2]=3 49 B5R0.1 NC(CCC)=N PI-37197 [1,0,0,0,0,0|2,0,0]=3 50 B5R0.1 NCCC(=O)O PI-14317 [1,0,0,0,0,0|1,0,0]=2 51 B5R0.1 O=C(O)CCS PI-40342 [1,0,0,0,0,0|1,0,0]=2 52 B5R0.1 O=S(CSC)C PI-39632 [1,0,0,0,0,0|3,0,0]=4 53 B5R0.1 OC(CON)=O PI-37190 [1,0,0,0,0,0|2,0,0]=3 54 B5R0.1 OCCC(=C)Br PI-34814 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.1 OCCC(=O)O PI-20855 [1,0,0,0,0,0|1,0,0]=2 56 B5R0.1 OCC[C@H](O)C PI-15617 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.2 BrCCCC=C PI-39146 [1,0,0,0,0,0|2,0,0]=3 58 B5R0.2 BrCCSCC PI-21417 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.2 C(CC#N)CBr PI-41208 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.2 C(CCBr)CCl PI-15812 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.2 C(CCBr)CN PI-46910 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.2 C(CCCl)CO PI-15813 [1,0,0,0,0,0|1,0,1]=3 63 B5R0.2 C(CCS)CS PI-11005 [1,0,0,0,0,0|1,1,1]=4 64 B5R0.2 C=COCCO PI-12735 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.2 CCCSSC PI-48493 [1,0,0,0,0,0|3,0,0]=4 66 B5R0.2 CCNCCN PI-13215 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.2 CCO\C=C\C PI-12734 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.2 CCSCCN PI-22120 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.2 CNCCNC PI-39066 [1,0,0,0,0,0|3,0,0]=4 70 B5R0.2 CNCCSC PI-35879 [1,0,0,0,0,0|3,0,0]=4 71 B5R0.2 COCCC=O PI-45882 [1,0,0,0,0,0|1,0,0]=2 72 B5R0.2 COCCCCl PI-38032 [1,0,0,0,0,0|2,0,1]=4 73 B5R0.2 COCCCO PI-10094 [1,0,0,0,0,0|1,0,1]=3 74 B5R0.2 CSCCC=O PI-45744 [1,0,0,0,0,0|1,0,0]=2 75 B5R0.2 ClCCCC#C PI-20198 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.2 ClCCCC#N PI-38313 [1,0,0,0,0,0|2,0,1]=4 77 B5R0.2 ClCCN=C=O PI-22789 [1,0,0,0,0,0|2,0,1]=4 78 B5R0.2 FCCCCBr PI-14440 [1,0,0,0,0,0|2,0,1]=4 79 B5R0.2 NCCCCO PI-38298 [1,0,0,0,0,0|1,0,1]=3 80 B5R0.2 O=CCCC=O PI-14232 [1,0,0,0,0,0|1,0,1]=3 81 B5R0.2 OCCCC#C PI-13238 [1,0,0,0,0,0|0,0,3]=4 82 B5R0.2 OCCCC=C PI-13243 [1,0,0,0,0,0|2,0,0]=3 83 B5R0.2 OCCCCBr PI-12762 [1,0,0,0,0,0|1,0,1]=3 84 B7R0.2 C(C(CO)N)C(=O)O PI-43547 [0,1,0,0,0,0|1,0,0]=2 85 B7R0.2 CCC(C)NC(=O)N PI-19842 [0,1,0,0,0,0|2,0,0]=3 86 B7R0.2 NC(C)CC(C)CC PI-36995 [0,1,0,0,0,0|2,0,1]=4 87 B7R0.2 NCC(CC(=O)O)O PI-16027 [0,1,0,0,0,0|1,0,0]=2 88 B7R0.2 NC[C@@H](CC(=O)O)O PI-22701 [0,1,0,0,0,0|1,0,0]=2 89 B7R0.2 O=C([O-])CC(OC)=O PI-18514 [0,1,0,0,0,0|1,0,2]=4 90 B7R0.2 OC[C@H](CC(=O)O)N PI-39557 [0,1,0,0,0,0|1,0,0]=2 91 B7R0.3 CCCCC(=O)NN PI-50263 [0,1,0,0,0,0|1,0,0]=2 92 B7R0.3 COC(=O)CCC#C PI-39349 [0,1,0,0,0,0|0,0,2]=3 93 B7R0.3 COC(=O)CCC=O PI-48276 [0,1,0,0,0,0|1,0,1]=3 94 B7R0.3 COC(=O)CCCBr PI-44980 [0,1,0,0,0,0|1,0,0]=2 95 B7R0.3 COC(=O)CCCN PI-42165 [0,1,0,0,0,0|1,0,0]=2 96 B7R0.3 COC(=O)CCSC PI-45979 [0,1,0,0,0,0|1,0,0]=2 97 B7R0.3 COC(=O)CNC=O PI-33232 [0,1,0,0,0,0|2,0,1]=4 98 B7R0.3 COC(=O)\C=C\CBr PI-10946 [0,1,0,0,0,0|1,0,2]=4 99 B7R0.3 COCCC(=O)NN PI-50294 [0,1,0,0,0,0|2,0,0]=3 100 B7R0.3 CO\C=C\C(=O)OC PI-37579 [0,1,0,0,0,0|1,0,2]=4 101 B7R0.3 CSCCC(C#N)O PI-49851 [0,1,0,0,0,0|2,0,1]=4 102 B7R0.3 O=C(OC)CCNC PI-40057 [0,1,0,0,0,0|1,0,0]=2 103 B7R0.4 BrCCCCC(=O)Cl PI-15616 [0,1,0,0,0,0|1,0,0]=2 104 B7R0.4 BrCCCCC(=O)O PI-11341 [0,1,0,0,0,0|0,0,0]=1 105 B7R0.4 C#CCCCC(O)=O PI-37286 [0,1,0,0,0,0|0,0,1]=2 106 B7R0.4 C(CCBr)CC(=O)[O-] PI-41801 [0,1,0,0,0,0|0,0,1]=2 107 B7R0.4 C(CCCl)CC(=O)Cl PI-44721 [0,1,0,0,0,0|1,0,0]=2 108 B7R0.4 C(CNCC(=O)O)N PI-47160 [0,1,0,0,0,0|1,0,0]=2 109 B7R0.4 CC(=O)CCCCCl PI-28023 [0,1,0,0,0,0|1,0,0]=2 110 B7R0.4 CCCCCB(O)O PI-37261 [0,1,0,0,0,0|1,0,1]=3 111 B7R0.4 CCCCC[C@@H](C)O PI-49829 [0,1,0,0,0,0|1,0,1]=3 112 B7R0.4 CCCCNC(=S)N PI-23056 [0,1,0,0,0,0|1,1,0]=3 113 B7R0.4 CCCCOC(=S)[S-] PI-47064 [0,1,0,0,0,0|0,2,0]=3 114 B7R0.4 CCCOCC(=O)O PI-32592 [0,1,0,0,0,0|0,0,0]=1 115 B7R0.4 CCO\C=C\C(=O)O PI-41236 [0,1,0,0,0,0|0,0,2]=3 116 B7R0.4 CN(C)CCCCN PI-23376 [0,1,0,0,0,0|3,0,0]=4 117 B7R0.4 CNCCCN(C)C PI-19630 [0,1,0,0,0,0|3,0,0]=4 118 B7R0.4 COCCOC(=O)C PI-12910 [0,1,0,0,0,0|2,0,0]=3 119 B7R0.4 NCCCCC(=O)O PI-30804 [0,1,0,0,0,0|0,0,0]=1 120 B7R0.4 O=C(O)CNCC=C PI-37297 [0,1,0,0,0,0|0,0,2]=3 121 B7R0.4 OC(=O)CCCCN PI-40783 [0,1,0,0,0,0|0,0,0]=1 122 B7R0.5 C#CCC(C(=O)O)N PI-43612 [0,1,0,0,0,0|0,0,2]=3 123 B7R0.5 C#CCC(C(=O)O)N PI-43896 [0,1,0,0,0,0|0,0,2]=3 124 B7R0.5 C(CBr)C(C(=O)Br)Br PI-48161 [0,1,0,0,0,0|2,0,0]=3 125 B7R0.5 C(CN)C(C(=O)O)N PI-18265 [0,1,0,0,0,0|1,0,0]=2 126 B7R0.5 C(CN)C(C(=O)O)N PI-18421 [0,1,0,0,0,0|1,0,0]=2 127 B7R0.5 C(CN)C(C(=O)O)N PI-45534 [0,1,0,0,0,0|1,0,0]=2 128 B7R0.5 C(CN)C(C(=O)O)O PI-16049 [0,1,0,0,0,0|1,0,0]=2 129 B7R0.5 C=CCC(C(=O)O)N PI-43236 [0,1,0,0,0,0|0,0,2]=3 130 B7R0.5 C=CCC(C(=O)O)N PI-43396 [0,1,0,0,0,0|0,0,2]=3 131 B7R0.5 CC(C(=O)O)NC=O PI-33235 [0,1,0,0,0,0|2,0,1]=4 132 B7R0.5 CCCC(C(=O)O)Br PI-44608 [0,1,0,0,0,0|0,0,0]=1 133 B7R0.5 CCCC(C(=O)O)N PI-13494 [0,1,0,0,0,0|0,0,0]=1 134 B7R0.5 CCC[C@H](C(=O)O)N PI-39155 [0,1,0,0,0,0|0,0,0]=1 135 B7R0.5 COCC(C(=O)O)N PI-14934 [0,1,0,0,0,0|1,0,0]=2 136 B7R0.5 COCC(C(=O)O)N PI-14935 [0,1,0,0,0,0|1,0,0]=2 137 B7R0.5 CSC[C@@H](C(=O)O)N PI-25076 [0,1,0,0,0,0|1,0,0]=2 138 B7R0.5 NC(CC=C)C(O)=O PI-29913 [0,1,0,0,0,0|0,0,2]=3 139 B7R0.5 NC(CCBr)C(=O)O PI-36244 [0,1,0,0,0,0|1,0,0]=2 140 B7R0.5 NC(CCO)C(O)=O PI-41434 [0,1,0,0,0,0|1,0,0]=2 141 B7R0.5 NC(CCS)C(=O)O PI-27603 [0,1,0,0,0,0|1,0,0]=2 142 B7R0.5 NCCC(C(=O)O)N PI-27828 [0,1,0,0,0,0|1,0,0]=2 143 B7R0.5 N[C@@H](CCS)C(O)=O PI-37318 [0,1,0,0,0,0|1,0,0]=2 144 B7R0.5 N[C@H](C(=O)O)CCBr PI-40811 [0,1,0,0,0,0|1,0,0]=2 145 B7R0.5 O=C(O)[C@@H](N)CSC PI-41817 [0,1,0,0,0,0|1,0,0]=2 146 B7R0.5 OCC[C@H](C(=O)O)N PI-31830 [0,1,0,0,0,0|1,0,0]=2 147 B7R0.5 OCC[C@H](N)C(=O)O PI-14275 [0,1,0,0,0,0|1,0,0]=2 148 B7R0.6 C(CC(=O)[O-])C(=O)[O-] PI-13200 [0,1,0,0,0,0|1,0,2]=4 149 B7R0.6 C(C[N+](=O)[O-])C(=O)O PI-41737 [0,1,0,0,0,0|2,0,0]=3 150 B7R0.6 CC(=C)COC(=O)C PI-47091 [0,1,0,0,0,0|2,0,1]=4 151 B7R0.6 CC(=O)C=CC(=O)O PI-29616 [0,1,0,0,0,0|0,0,3]=4 152 B7R0.6 CC(=O)CCC(=O)C PI-48500 [0,1,0,0,0,0|1,0,1]=3 153 B7R0.6 CC(=O)NCC(=O)C PI-36400 [0,1,0,0,0,0|2,0,1]=4 154 B7R0.6 CC(=O)NCC(=O)O PI-33247 [0,1,0,0,0,0|1,0,1]=3 155 B7R0.6 CC(=O)OCC(=O)Cl PI-13657 [0,1,0,0,0,0|2,0,1]=4 156 B7R0.6 CC(=O)OCC(=O)O PI-26120 [0,1,0,0,0,0|1,0,1]=3 157 B7R0.6 CC(=O)OCC(F)F PI-21167 [0,1,0,0,0,0|3,0,0]=4 158 B7R0.6 CC(C)CCC(=O)O PI-25767 [0,1,0,0,0,0|0,0,0]=1 159 B7R0.6 CC(C)CCC(C)N PI-49380 [0,1,0,0,0,0|2,0,1]=4 160 B7R0.6 CC(C)CCC(C)O PI-30803 [0,1,0,0,0,0|1,0,1]=3 161 B7R0.6 C[C@H](O)CC[C@H](C)O PI-20708 [0,1,0,0,0,0|1,0,1]=3 162 B7R0.6 C[S+](C)CCC(=O)O PI-45961 [0,1,0,0,0,0|1,0,0]=2 163 B7R0.6 O=C([O-])CCC([O-])=O PI-13219 [0,1,0,0,0,0|1,0,2]=4 164 B7R0.8 BrCCCS(=O)([O-])=O PI-40818 [0,1,0,0,0,0|2,0,1]=4 165 B7R0.8 C(CN)CP(=O)(O)O PI-19098 [0,1,0,0,0,0|2,0,0]=3 166 B7R0.8 C(CS(=O)(=O)Cl)CCl PI-35853 [0,1,0,0,0,0|2,0,1]=4 167 B7R0.8 C(CS)CS(=O)(=O)[O-] PI-45783 [0,1,0,0,0,0|2,0,1]=4 168 B7R0.8 CCCC[Si](C)(C)Cl PI-22927 [0,1,0,0,0,0|2,1,0]=4 169 B7R0.8 CCCNS(=O)(=O)N PI-45807 [0,1,0,0,0,0|2,0,1]=4 170 B7R0.8 CCCNS(=O)(=O)[NH-] PI-43283 [0,1,0,0,0,0|2,0,1]=4 171 B7R0.8 CCCNS(=O)(=O)[NH-] PI-46000 [0,1,0,0,0,0|2,0,1]=4 172 B7R0.8 NCCOP(=O)(O)O PI-15898 [0,1,0,0,0,0|3,0,0]=4 173 B7R0.8 O=S(CCCN)(O)=O PI-42473 [0,1,0,0,0,0|2,0,0]=3 174 B7R1.2 C1C(CNC1=O)N PI-35851 [0,0,0,1,0,0|3,0,0]=4 175 B7R1.2 C1C(COC1=O)O PI-28663 [0,0,0,1,0,0|3,0,0]=4 176 B7R1.2 C1CC(CC1N)O PI-44226 [0,0,0,1,0,0|2,0,1]=4 177 B7R1.2 C1CC(CC1O)O PI-43989 [0,0,0,1,0,0|2,0,1]=4 178 B7R1.2 CC1CCC(C1)O PI-44641 [0,0,0,1,0,0|1,0,1]=3 179 B7R1.2 CC1COC(=O)N1 PI-35869 [0,0,0,1,0,0|2,0,0]=3 180 B7R1.2 CN1CCC(O)C1 PI-33498 [0,0,0,1,0,0|2,0,1]=4 181 B7R1.2 C[C@@H]1CCC(=O)O1 PI-27751 [0,0,0,1,0,0|0,0,0]=1 182 B7R1.2 C[C@@H]1COC(=O)O1 PI-12235 [0,0,0,1,0,0|1,0,0]=2 183 B7R1.2 C[C@H]1COC(=O)N1 PI-35870 [0,0,0,1,0,0|2,0,0]=3 184 B7R1.2 C[C@H]1COC(=O)O1 PI-12953 [0,0,0,1,0,0|1,0,0]=2 185 B7R1.2 O=C1NCC(=O)O1 PI-37627 [0,0,0,1,0,0|2,0,1]=4 186 B7R1.2 O=C1OCC(O)C1 PI-12958 [0,0,0,1,0,0|3,0,0]=4 187 B7R1.2 OC1CC(=O)NC1 PI-39044 [0,0,0,1,0,0|3,0,0]=4 188 B7R1.2 O[C@@H]1CC(=O)NC1 PI-15469 [0,0,0,1,0,0|3,0,0]=4 189 B7R1.2 O[C@H]1CC(=O)NC1 PI-15470 [0,0,0,1,0,0|3,0,0]=4 190 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [0,0,0,1,0,0|3,0,0]=4 191 B7R1.3 C1CC(=O)COC1 PI-39263 [0,0,0,1,0,0|2,0,0]=3 192 B7R1.3 C1CC(CNC1)O PI-10129 [0,0,0,1,0,0|2,0,1]=4 193 B7R1.3 C1CC(CNC1)O PI-11069 [0,0,0,1,0,0|2,0,1]=4 194 B7R1.3 C1CC(CNC1)O PI-31252 [0,0,0,1,0,0|2,0,1]=4 195 B7R1.3 C1CCC(=CC1)Cl PI-46532 [0,0,0,1,0,0|2,0,0]=3 196 B7R1.3 C1CCN(CC1)N PI-34077 [0,0,0,1,0,0|3,0,0]=4 197 B7R1.3 C1CCN(CC1)N PI-43331 [0,0,0,1,0,0|3,0,0]=4 198 B7R1.3 C1CCNC(=O)C1 PI-40996 [0,0,0,1,0,0|1,0,0]=2 199 B7R1.3 C1CCNC(C1)Br PI-13261 [0,0,0,1,0,0|2,0,1]=4 200 B7R1.3 C1CCNC(C1)Cl PI-13259 [0,0,0,1,0,0|2,0,1]=4 201 B7R1.3 C1CCNC(C1)O PI-11062 [0,0,0,1,0,0|1,0,1]=3 202 B7R1.3 C1CNCCC1=O PI-43209 [0,0,0,1,0,0|2,0,0]=3 203 B7R1.3 C1CNCCC1O PI-43307 [0,0,0,1,0,0|2,0,1]=4 204 B7R1.3 C1COC(=O)C=C1 PI-47083 [0,0,0,1,0,0|0,0,2]=3 205 B7R1.3 C1COC(CN1)O PI-41771 [0,0,0,1,0,0|1,0,2]=4 206 B7R1.3 C1COCCC1=O PI-47224 [0,0,0,1,0,0|2,0,0]=3 207 B7R1.3 C=C1CCNCC1 PI-41106 [0,0,0,1,0,0|3,0,0]=4 208 B7R1.3 C=C1CCOCC1 PI-42723 [0,0,0,1,0,0|3,0,0]=4 209 B7R1.3 CC1=CCCCC1 PI-42686 [0,0,0,1,0,0|2,0,0]=3 210 B7R1.3 CC1=CCOCC1 PI-42722 [0,0,0,1,0,0|3,0,0]=4 211 B7R1.3 CC1CCOCO1 PI-47110 [0,0,0,1,0,0|2,0,1]=4 212 B7R1.3 CC1CNCCO1 PI-34764 [0,0,0,1,0,0|2,0,1]=4 213 B7R1.3 C[C@H]1CCCCN1 PI-48288 [0,0,0,1,0,0|2,0,1]=4 214 B7R1.3 C[C@H]1CNCCO1 PI-37360 [0,0,0,1,0,0|2,0,1]=4 215 B7R1.3 NC1CCCCN1 PI-13252 [0,0,0,1,0,0|2,0,1]=4 216 B7R1.3 O1CCCC(C1)O PI-42688 [0,0,0,1,0,0|2,0,1]=4 217 B7R1.3 O=C1CCCCO1 PI-37295 [0,0,0,1,0,0|0,0,0]=1 218 B7R1.3 O=C1CCCNC1 PI-35479 [0,0,0,1,0,0|2,0,0]=3 219 B7R1.3 O=C1CCNCC1 PI-12489 [0,0,0,1,0,0|2,0,0]=3 220 B7R1.3 O=C1CCNCC1 PI-37237 [0,0,0,1,0,0|2,0,0]=3 221 B7R1.3 O=C1CCOCC1 PI-13776 [0,0,0,1,0,0|2,0,0]=3 222 B7R1.3 O=C1CCSCC1 PI-40196 [0,0,0,1,0,0|2,0,0]=3 223 B7R1.3 O=C1COCCN1 PI-38277 [0,0,0,1,0,0|2,0,0]=3 224 B7R1.3 O=C1COCCO1 PI-44056 [0,0,0,1,0,0|1,0,0]=2 225 B7R1.3 O=C1NCCNC1 PI-31800 [0,0,0,1,0,0|2,0,0]=3 226 B7R1.3 OC1CCNCC1 PI-31377 [0,0,0,1,0,0|2,0,1]=4 227 B7R1.3 OC1CCOCC1 PI-37145 [0,0,0,1,0,0|2,0,1]=4 228 B7R1.3 O[C@H]1CCCNC1 PI-10130 [0,0,0,1,0,0|2,0,1]=4 229 B7R1.10 O=C1CC(OC)C1 PI-46660 [0,0,0,1,0,0|2,0,0]=3 230 B7R1.12 C1C(C1F)C(=O)O PI-48944 [0,0,0,1,0,0|1,0,0]=2 231 B7R1.12 OC(=O)[C@H]1C[C@H]1F PI-39142 [0,0,0,1,0,0|1,0,0]=2 232 B7R1.14 C1CCC(C1)(F)F PI-21161 [0,0,0,1,0,0|2,0,1]=4 233 B7R1.14 CC1(O)CCCC1 PI-36469 [0,0,0,1,0,0|1,0,1]=3 234 B7R1.14 C[Si]1(CCCC1)C PI-45650 [0,0,0,1,0,0|2,1,0]=4 235 B7R1.14 O=S1(=O)CCCO1 PI-32116 [0,0,0,1,0,0|2,0,1]=4 236 B7R1.18 C1C(CN1)C(=O)O PI-49248 [0,0,0,1,0,0|1,0,0]=2 237 B7R1.18 C1CC(C1)C(=O)O PI-16540 [0,0,0,1,0,0|0,0,0]=1 238 B7R1.18 ClC(=O)C1CCC1 PI-13205 [0,0,0,1,0,0|1,0,0]=2 239 B7R1.18 OC(=O)C1CCN1 PI-25003 [0,0,0,1,0,0|1,0,0]=2 240 B7R1.18 OC(=O)C1CNC1 PI-14151 [0,0,0,1,0,0|1,0,0]=2 241 B7R1.18 OC(=O)[C@@H]1CCN1 PI-14152 [0,0,0,1,0,0|1,0,0]=2 242 B7R1.18 OC(=O)[C@H]1CCN1 PI-25834 [0,0,0,1,0,0|1,0,0]=2 243 B7R1.20 OC(=O)CC1CC1 PI-13559 [0,0,0,1,0,0|0,0,0]=1 244 B4R0.1 C(C(=O)Cl)Br PI-46514 [2,0,0,0,0,0|2,0,0]=4 245 B4R0.1 C(C(=O)N)I PI-47045 [2,0,0,0,0,0|2,0,0]=4 246 B4R0.1 C(C(=O)N)N PI-14271 [2,0,0,0,0,0|2,0,0]=4 247 B4R0.1 C(C(=O)[O-])Cl PI-44622 [2,0,0,0,0,0|1,0,1]=4 248 B4R0.1 CC(=O)CBr PI-38994 [2,0,0,0,0,0|2,0,0]=4 249 B4R0.1 CCB(O)O PI-25578 [2,0,0,0,0,0|1,0,1]=4 250 B4R0.1 CCC(=N)N PI-35437 [2,0,0,0,0,0|2,0,0]=4 251 B4R0.1 CCC(C)O PI-15619 [2,0,0,0,0,0|1,0,1]=4 252 B4R0.1 NC(=O)CBr PI-10963 [2,0,0,0,0,0|2,0,0]=4 253 B4R0.2 C#CCCO PI-16501 [2,0,0,0,0,0|0,0,2]=4 254 B4R0.2 C(CF)CF PI-21236 [2,0,0,0,0,0|2,0,0]=4 255 B4R0.2 C(CF)CI PI-41494 [2,0,0,0,0,0|2,0,0]=4 256 B4R0.2 C(CN)CN PI-19035 [2,0,0,0,0,0|2,0,0]=4 257 B4R0.2 C(CN)CN PI-46906 [2,0,0,0,0,0|2,0,0]=4 258 B4R0.2 C(CN)CS PI-39174 [2,0,0,0,0,0|1,1,0]=4 259 B4R0.2 C(CO)CBr PI-15814 [2,0,0,0,0,0|1,0,0]=3 260 B4R0.2 C(CO)CI PI-50488 [2,0,0,0,0,0|1,0,0]=3 261 B4R0.2 C(CS)CS PI-11004 [2,0,0,0,0,0|1,1,0]=4 262 B4R0.2 C=CCCBr PI-20589 [2,0,0,0,0,0|1,0,1]=4 263 B4R0.2 CC#CCO PI-15652 [2,0,0,0,0,0|0,0,2]=4 264 B4R0.2 CC=CCO PI-41583 [2,0,0,0,0,0|0,0,2]=4 265 B4R0.2 CCCCCl PI-44613 [2,0,0,0,0,0|1,0,0]=3 266 B4R0.2 CCCNC PI-39187 [2,0,0,0,0,0|1,0,1]=4 267 B4R0.2 CCOC=C PI-12733 [2,0,0,0,0,0|1,0,1]=4 268 B4R0.2 CNCC=C PI-41121 [2,0,0,0,0,0|1,0,1]=4 269 B4R0.2 COCCBr PI-21426 [2,0,0,0,0,0|2,0,0]=4 270 B4R0.2 ClCCNC PI-41980 [2,0,0,0,0,0|2,0,0]=4 271 B4R0.2 OCCCS PI-39546 [2,0,0,0,0,0|1,0,0]=3 272 B6R0.1 C(CS)C(=O)NN PI-50543 [1,1,0,0,0,0|2,0,0]=4 273 B6R0.1 CC#CC(=O)OC PI-48956 [1,1,0,0,0,0|0,0,2]=4 274 B6R0.1 CCCC(=O)NN PI-23070 [1,1,0,0,0,0|1,0,0]=3 275 B6R0.1 CCCC(=O)SC PI-48512 [1,1,0,0,0,0|0,1,0]=3 276 B6R0.1 CCCC(C=C)O PI-15324 [1,1,0,0,0,0|1,0,1]=4 277 B6R0.1 CCCC(CO)O PI-13556 [1,1,0,0,0,0|0,0,2]=4 278 B6R0.1 CCOC(=O)C#C PI-35147 [1,1,0,0,0,0|2,0,0]=4 279 B6R0.1 CCOC(=O)CBr PI-15815 [1,1,0,0,0,0|2,0,0]=4 280 B6R0.1 CCOC(=O)NC PI-50343 [1,1,0,0,0,0|2,0,0]=4 281 B6R0.1 CNCC(=O)OC PI-45586 [1,1,0,0,0,0|1,0,0]=3 282 B6R0.1 COC(=O)CCN PI-31148 [1,1,0,0,0,0|1,0,0]=3 283 B6R0.1 COCC(=N)NO PI-36392 [1,1,0,0,0,0|2,0,0]=4 284 B6R0.1 COCC(=O)NN PI-50354 [1,1,0,0,0,0|2,0,0]=4 285 B6R0.1 C\C(=N/O)\OCC PI-38013 [1,1,0,0,0,0|2,0,0]=4 286 B6R0.1 NNC(OCC)=O PI-28515 [1,1,0,0,0,0|2,0,0]=4 287 B6R0.1 O=C(OC)CCO PI-41038 [1,1,0,0,0,0|1,0,0]=3 288 B6R0.2 CC(=CC(=O)O)C PI-42632 [1,1,0,0,0,0|0,0,2]=4 289 B6R0.2 CC(Br)OC(=O)C PI-36668 [1,1,0,0,0,0|2,0,0]=4 290 B6R0.2 CC(C)CB(O)O PI-37377 [1,1,0,0,0,0|1,0,1]=4 291 B6R0.2 CC(C)CC(=O)[O-] PI-18660 [1,1,0,0,0,0|0,0,1]=3 292 B6R0.2 CC(CC(=O)O)N PI-35438 [1,1,0,0,0,0|0,0,0]=2 293 B6R0.2 CC(CC(=O)O)N PI-35481 [1,1,0,0,0,0|0,0,0]=2 294 B6R0.2 CC(CC(=O)O)N PI-43821 [1,1,0,0,0,0|0,0,0]=2 295 B6R0.2 CC(CC(=O)O)O PI-47070 [1,1,0,0,0,0|0,0,0]=2 296 B6R0.2 CC(OC(=O)C)Cl PI-36669 [1,1,0,0,0,0|2,0,0]=4 297 B6R0.2 CC(OC(=O)Cl)Cl PI-22740 [1,1,0,0,0,0|2,0,0]=4 298 B6R0.2 CN(C)CC(=O)O PI-15416 [1,1,0,0,0,0|1,0,0]=3 299 B6R0.2 C[C@@H](N)CC(O)=O PI-42153 [1,1,0,0,0,0|0,0,0]=2 300 B6R0.2 C[C@H](N)CC(O)=O PI-35439 [1,1,0,0,0,0|0,0,0]=2 301 B6R0.2 C[S+](C)CC(=O)[O-] PI-45960 [1,1,0,0,0,0|1,0,1]=4 302 B6R0.3 C(C(C(=O)Cl)Br)Br PI-13029 [1,1,0,0,0,0|2,0,0]=4 303 B6R0.3 C(C(C(=O)O)Br)Br PI-44609 [1,1,0,0,0,0|1,0,0]=3 304 B6R0.3 C(C(C(=O)O)N)N PI-31828 [1,1,0,0,0,0|1,0,0]=3 305 B6R0.3 C(C(C(=O)O)N)N PI-35715 [1,1,0,0,0,0|1,0,0]=3 306 B6R0.3 C(C(C(=O)O)N)N PI-35737 [1,1,0,0,0,0|1,0,0]=3 307 B6R0.3 C(C(C(=O)O)N)S PI-15750 [1,1,0,0,0,0|1,0,0]=3 308 B6R0.3 C(C(C(=O)O)O)N PI-12867 [1,1,0,0,0,0|1,0,0]=3 309 B6R0.3 C([C@@H](C(=O)N)N)O PI-41049 [1,1,0,0,0,0|2,0,0]=4 310 B6R0.3 CC(C(=O)O)NC PI-27549 [1,1,0,0,0,0|1,0,0]=3 311 B6R0.3 CC(C(=O)O)NC PI-27557 [1,1,0,0,0,0|1,0,0]=3 312 B6R0.3 CC=C(C)C(=O)O PI-40492 [1,1,0,0,0,0|0,0,2]=4 313 B6R0.3 CCC(C(=O)C)S PI-48501 [1,1,0,0,0,0|1,0,0]=3 314 B6R0.3 CCC(C(=O)N)N PI-10559 [1,1,0,0,0,0|1,0,0]=3 315 B6R0.3 CCC(C(=O)O)N PI-28320 [1,1,0,0,0,0|0,0,0]=2 316 B6R0.3 CCC(C(=O)O)N PI-43844 [1,1,0,0,0,0|0,0,0]=2 317 B6R0.3 CC[C@@H](C(=O)N)N PI-12596 [1,1,0,0,0,0|1,0,0]=3 318 B6R0.3 CC[C@@H](C(=O)O)N PI-10518 [1,1,0,0,0,0|0,0,0]=2 319 B6R0.3 CC[C@H](C)C(=O)O PI-48349 [1,1,0,0,0,0|0,0,0]=2 320 B6R0.3 CN(C(=O)Cl)CC PI-38703 [1,1,0,0,0,0|2,0,0]=4 321 B6R0.3 CNC(=O)C(=O)O PI-19400 [1,1,0,0,0,0|1,0,1]=4 322 B6R0.3 NC(C(=O)O)CN PI-10165 [1,1,0,0,0,0|1,0,0]=3 323 B6R0.3 NC(C(=O)O)CN PI-35820 [1,1,0,0,0,0|1,0,0]=3 324 B6R0.3 NC(CO)C(O)=O PI-35846 [1,1,0,0,0,0|1,0,0]=3 325 B6R0.3 NC(CS)C(=O)O PI-15748 [1,1,0,0,0,0|1,0,0]=3 326 B6R0.3 NCC(C(=O)O)O PI-38395 [1,1,0,0,0,0|1,0,0]=3 327 B6R0.3 N[C@H](C(=O)O)CS PI-36763 [1,1,0,0,0,0|1,0,0]=3 328 B6R0.3 N[C@H](CS)C(=O)O PI-18970 [1,1,0,0,0,0|1,0,0]=3 329 B6R0.3 N[C@H](CS)C(O)=O PI-42401 [1,1,0,0,0,0|1,0,0]=3 330 B6R0.3 O=C(O)C(C)CN PI-42145 [1,1,0,0,0,0|1,0,0]=3 331 B6R0.3 OC[C@@H](N)C(=O)O PI-14287 [1,1,0,0,0,0|1,0,0]=3 332 B6R0.3 [C@H](C)(NC)C(O)=O PI-39694 [1,1,0,0,0,0|1,0,0]=3 333 B6R0.3 [O-]C(=O)C(=O)CC PI-39140 [1,1,0,0,0,0|0,0,2]=4 334 B6R0.5 C(CS(=O)(=O)O)N PI-31986 [1,1,0,0,0,0|2,0,0]=4 335 B6R0.5 C(CS(=O)(=O)O)S PI-21828 [1,1,0,0,0,0|2,0,0]=4 336 B6R0.5 CCCS(=O)(=O)Cl PI-42938 [1,1,0,0,0,0|1,0,1]=4 337 B6R0.6 BrCCCCC#N PI-22651 [1,1,0,0,0,0|1,0,1]=4 338 B6R0.6 BrCCCCC=C PI-39147 [1,1,0,0,0,0|1,0,0]=3 339 B6R0.6 C#CCCCCO PI-40904 [1,1,0,0,0,0|0,0,2]=4 340 B6R0.6 C(CCBr)CCBr PI-44626 [1,1,0,0,0,0|1,0,1]=4 341 B6R0.6 C(CCN)CCN PI-46858 [1,1,0,0,0,0|1,0,1]=4 342 B6R0.6 C(CCO)CCCl PI-44261 [1,1,0,0,0,0|0,0,1]=3 343 B6R0.6 C(CCS)CCS PI-11006 [1,1,0,0,0,0|0,1,1]=4 344 B6R0.6 CCCCCCN PI-46860 [1,1,0,0,0,0|1,0,1]=4 345 B6R0.6 CCCCCNC PI-21907 [1,1,0,0,0,0|1,0,1]=4 346 B6R0.6 CCCCN=C=S PI-22957 [1,1,0,0,0,0|0,1,1]=4 347 B6R0.6 CCCOCCCl PI-47054 [1,1,0,0,0,0|1,0,1]=4 348 B6R0.6 CCCSCCC PI-48482 [1,1,0,0,0,0|1,0,1]=4 349 B6R0.6 CCC\C=C\C=O PI-40157 [1,1,0,0,0,0|0,0,1]=3 350 B6R0.6 CCNCCC#N PI-19315 [1,1,0,0,0,0|1,0,1]=4 351 B6R0.6 CNCCCNC PI-32197 [1,1,0,0,0,0|2,0,0]=4 352 B6R0.6 COCCCCBr PI-39605 [1,1,0,0,0,0|1,0,1]=4 353 B6R0.6 ClCCCCC#C PI-19028 [1,1,0,0,0,0|1,0,1]=4 354 B6R0.6 ClCCCCC=O PI-34745 [1,1,0,0,0,0|0,0,0]=2 355 B6R0.6 ClCCCCCBr PI-10753 [1,1,0,0,0,0|1,0,1]=4 356 B8R0.2 C(C(C(C(=O)[O-])O)O)O PI-41202 [0,2,0,0,0,0|1,0,1]=4 357 B8R0.2 C(C(C(C(=O)[O-])O)O)O PI-44698 [0,2,0,0,0,0|1,0,1]=4 358 B8R0.2 CC(C(C(=O)O)N)OC PI-14941 [0,2,0,0,0,0|1,0,0]=3 359 B8R0.2 CCC(C)C(C(=O)O)N PI-12927 [0,2,0,0,0,0|0,0,0]=2 360 B8R0.2 CCC(C)C(C(=O)O)N PI-41663 [0,2,0,0,0,0|0,0,0]=2 361 B8R0.2 CCC(C)C(C(O)=O)=O PI-37081 [0,2,0,0,0,0|0,0,1]=3 362 B8R0.2 CC[C@H]([C@@H](C(=O)O)N)C PI-12926 [0,2,0,0,0,0|0,0,0]=2 363 B8R0.2 CC[C@H]([C@H](C(=O)O)N)C PI-16567 [0,2,0,0,0,0|0,0,0]=2 364 B8R0.5 C#CCC(CC(=O)O)N PI-43720 [0,2,0,0,0,0|0,0,1]=3 365 B8R0.5 C#CCC(CC(=O)O)N PI-43746 [0,2,0,0,0,0|0,0,1]=3 366 B8R0.5 C=CCC(CC(=O)O)N PI-43713 [0,2,0,0,0,0|0,0,1]=3 367 B8R0.5 C=CCC(CC(=O)O)N PI-43890 [0,2,0,0,0,0|0,0,1]=3 368 B8R0.5 CCOC(=O)CC(=O)Cl PI-39034 [0,2,0,0,0,0|1,0,1]=4 369 B8R0.5 CCOC(=O)CC(=O)N PI-18885 [0,2,0,0,0,0|1,0,1]=4 370 B8R0.5 CCOC(=O)CC(=O)O PI-15251 [0,2,0,0,0,0|0,0,1]=3 371 B8R0.5 O=C([O-])CC(OCC)=O PI-18759 [0,2,0,0,0,0|0,0,2]=4 372 B8R0.19 CCC(=O)CC(=O)CC PI-15985 [0,2,0,0,0,0|1,0,1]=4 373 B8R0.19 CCC(=O)CC(=O)OC PI-10902 [0,2,0,0,0,0|0,0,1]=3 374 B8R0.19 CCC(CC(=O)OC)O PI-42251 [0,2,0,0,0,0|0,0,0]=2 375 B8R0.19 CC[C@H](O)CC(OC)=O PI-42252 [0,2,0,0,0,0|0,0,0]=2 376 B8R0.19 COC(=O)CC(=O)CCl PI-18464 [0,2,0,0,0,0|1,0,1]=4 377 B8R0.19 COC(=O)CC(CCl)O PI-24655 [0,2,0,0,0,0|1,0,0]=3 378 B8R0.19 COC(=O)C[C@H](CCl)O PI-24658 [0,2,0,0,0,0|1,0,0]=3 379 B8R0.23 C(C(C(=O)O)Cl)C(=O)O PI-28489 [0,2,0,0,0,0|1,0,1]=4 380 B8R0.23 C(C(C(=O)O)Cl)C(=O)O PI-28518 [0,2,0,0,0,0|1,0,1]=4 381 B8R0.23 CC(C(CC(=O)O)N)O PI-43592 [0,2,0,0,0,0|0,0,0]=2 382 B8R0.23 CC(C)CC(=O)C(=O)O PI-14719 [0,2,0,0,0,0|0,0,1]=3 383 B8R0.23 CC(C)CC(=O)C(=O)[O-] PI-13111 [0,2,0,0,0,0|0,0,2]=4 384 B8R0.23 CC(C)CC(=O)C(=O)[O-] PI-19628 [0,2,0,0,0,0|0,0,2]=4 385 B8R0.23 CC(C)CC(Br)C(O)=O PI-40045 [0,2,0,0,0,0|0,0,0]=2 386 B8R0.23 CC(C)CC(C(=O)O)N PI-14720 [0,2,0,0,0,0|0,0,0]=2 387 B8R0.23 CC(C)CC(C(=O)O)O PI-45798 [0,2,0,0,0,0|0,0,0]=2 388 B8R0.23 CC(C)CC(N)C(=O)O PI-25447 [0,2,0,0,0,0|0,0,0]=2 389 B8R0.23 CC(C)[C@@H](CC(=O)O)N PI-48270 [0,2,0,0,0,0|0,0,0]=2 390 B8R0.23 CC(NC(C)=O)C(O)=O PI-26061 [0,2,0,0,0,0|1,0,1]=4 391 B8R0.23 CN(C)CC(C(=O)O)N PI-14917 [0,2,0,0,0,0|1,0,0]=3 392 B8R0.23 C[C@@H](CC(=O)O)C(=O)O PI-48298 [0,2,0,0,0,0|1,0,1]=4 393 B8R0.23 N[C@H](C(=O)O)CC(C)C PI-15734 [0,2,0,0,0,0|0,0,0]=2 394 B8R0.23 O=C(O)[C@H](N)CC(O)=O PI-13091 [0,2,0,0,0,0|1,0,1]=4 395 B8R0.23 OC(=O)CC(C(=O)O)C PI-25606 [0,2,0,0,0,0|1,0,1]=4 396 B8R0.23 [C@H](N)(CS(C)=O)C(O)=O PI-42226 [0,2,0,0,0,0|1,0,0]=3 397 B8R0.34 CC(=O)CC(C)(C)SC PI-48506 [0,2,0,0,0,0|2,0,0]=4 398 B8R0.1 CCCCC(CCC)O PI-46865 [0,2,0,0,0,0|1,0,1]=4 399 B8R0.1 CCCOC(=O)CC#N PI-32784 [0,2,0,0,0,0|2,0,0]=4 400 B8R0.1 CCOC(=O)CCC#C PI-40902 [0,2,0,0,0,0|0,0,2]=4 401 B8R0.1 CCOC(=O)CCCBr PI-45007 [0,2,0,0,0,0|1,0,0]=3 402 B8R0.1 CCOC(=O)CCCN PI-42166 [0,2,0,0,0,0|1,0,0]=3 403 B8R0.1 CCOC(=O)CCSC PI-48514 [0,2,0,0,0,0|1,0,0]=3 404 B8R0.1 O=C(OCC)CCNC PI-40053 [0,2,0,0,0,0|1,0,0]=3 405 B8R0.3 CC(CCCl)C(=O)OC PI-26123 [0,2,0,0,0,0|1,0,0]=3 406 B8R0.3 CCCC(C(=O)OC)Br PI-44177 [0,2,0,0,0,0|0,0,0]=2 407 B8R0.3 CSC[C@@H](C(=O)OC)N PI-35894 [0,2,0,0,0,0|1,0,0]=3 408 B8R0.3 O=C(OC)C(Br)CCBr PI-40018 [0,2,0,0,0,0|1,0,0]=3 409 B8R0.6 C(CC=O)CC(C=O)O PI-42094 [0,2,0,0,0,0|0,0,2]=4 410 B8R0.6 CCCCCC(=O)NN PI-50287 [0,2,0,0,0,0|1,0,0]=3 411 B8R0.6 CCCCCC(C=C)O PI-39433 [0,2,0,0,0,0|1,0,1]=4 412 B8R0.6 CCCCCC(CC)O PI-42991 [0,2,0,0,0,0|1,0,1]=4 413 B8R0.6 CCCCC[C@@H](C=C)O PI-49834 [0,2,0,0,0,0|1,0,1]=4 414 B8R0.6 CCCCNC(=S)NN PI-23055 [0,2,0,0,0,0|1,1,0]=4 415 B8R0.6 O=C(OC)CCCCBr PI-40014 [0,2,0,0,0,0|0,0,0]=2 416 B8R0.8 C(CC(C(=O)O)N)CN PI-15758 [0,2,0,0,0,0|0,0,0]=2 417 B8R0.8 C(CC(C(=O)O)N)CN PI-42140 [0,2,0,0,0,0|0,0,0]=2 418 B8R0.8 CCCCC(=O)C(=O)O PI-50172 [0,2,0,0,0,0|0,0,0]=2 419 B8R0.8 CCCCC(C(=O)O)Br PI-44233 [0,2,0,0,0,0|0,0,0]=2 420 B8R0.8 CSCCC(C(=O)O)N PI-16565 [0,2,0,0,0,0|0,0,0]=2 421 B8R0.8 C[Se]CC[C@H](N)C(=O)O PI-31833 [0,2,0,0,0,0|0,0,0]=2 422 B8R0.8 N[C@@H](COCN)C(=O)O PI-13094 [0,2,0,0,0,0|1,0,0]=3 423 B8R0.8 N[C@H](C(=O)O)CCCN PI-31147 [0,2,0,0,0,0|0,0,0]=2 424 B8R0.9 CCC(C)CCC(O)=O PI-37097 [0,2,0,0,0,0|0,0,0]=2 425 B8R0.9 COC(=O)CCC(=O)Cl PI-13416 [0,2,0,0,0,0|1,0,1]=4 426 B8R0.9 NCC(=O)CCC(=O)O PI-10027 [0,2,0,0,0,0|0,0,1]=3 427 B8R0.9 NCC(=O)NCC(=O)O PI-10062 [0,2,0,0,0,0|1,0,1]=4 428 B8R0.11 CCC\C=C(/CC)\C=O PI-50386 [0,2,0,0,0,0|1,0,1]=4 429 B8R0.25 CCCC[Si](C)(C)OC PI-22928 [0,2,0,0,0,0|1,1,0]=4 430 B8R0.7 B(CCCCCC)(O)O PI-25221 [0,2,0,0,0,0|1,0,1]=4 431 B8R0.7 BrCCCCCC(=O)Cl PI-21506 [0,2,0,0,0,0|1,0,0]=3 432 B8R0.7 BrCCCCCC(=O)O PI-26630 [0,2,0,0,0,0|0,0,0]=2 433 B8R0.7 C(CCC(=O)N)CCBr PI-21503 [0,2,0,0,0,0|1,0,0]=3 434 B8R0.7 CC(=O)OCCCSC PI-35854 [0,2,0,0,0,0|1,0,0]=3 435 B8R0.7 CCCCCCC(=O)[O-] PI-46862 [0,2,0,0,0,0|0,0,1]=3 436 B8R0.7 CCCCCCC(C)O PI-10350 [0,2,0,0,0,0|1,0,1]=4 437 B8R0.7 CCCCCOC(=O)Cl PI-24536 [0,2,0,0,0,0|1,0,0]=3 438 B8R0.7 CCCCCOC(=S)[S-] PI-47065 [0,2,0,0,0,0|0,2,0]=4 439 B8R0.7 CCCC\C=C\B(O)O PI-18546 [0,2,0,0,0,0|1,0,1]=4 440 B8R0.7 CCOCCOC(=O)Cl PI-48465 [0,2,0,0,0,0|1,0,0]=3 441 B8R0.7 CCOCCOC(C)=O PI-12911 [0,2,0,0,0,0|1,0,0]=3 442 B8R0.7 ClCOCCOC(=O)C PI-36404 [0,2,0,0,0,0|2,0,0]=4 443 B8R0.7 NC(NCCCCN)=N PI-42210 [0,2,0,0,0,0|2,0,0]=4 444 B8R0.7 O=C(O)CCCCCN PI-41159 [0,2,0,0,0,0|0,0,0]=2 445 B8R0.7 O=C(O)COCCCC PI-32593 [0,2,0,0,0,0|0,0,0]=2 446 B8R0.21 CCCCOS(=O)(=O)C PI-25287 [0,2,0,0,0,0|1,0,1]=4 447 B8R0.21 OP(CCCCN)(O)=O PI-40605 [0,2,0,0,0,0|1,0,0]=3 448 B8R0.28 C(CC(=O)Cl)CC(=O)Cl PI-46857 [0,2,0,0,0,0|1,0,1]=4 449 B8R0.28 CC(=O)CCCC(=O)C PI-42581 [0,2,0,0,0,0|1,0,0]=3 450 B8R0.28 CC(=O)NCCC(=O)O PI-26539 [0,2,0,0,0,0|0,0,1]=3 451 B8R0.28 CC(C)CCCC(=O)C PI-47229 [0,2,0,0,0,0|1,0,0]=3 452 B8R0.28 CN(C)CCCC(=O)O PI-29854 [0,2,0,0,0,0|0,0,0]=2 453 B8R0.28 CN(C\C=C\C(=O)O)C PI-32230 [0,2,0,0,0,0|0,0,2]=4 454 B8R0.28 NC(=N)NCCC(=O)O PI-11247 [0,2,0,0,0,0|1,0,1]=4 455 B8R0.12 CC(CC=C)(C(=O)O)N PI-14928 [0,2,0,0,0,0|0,0,2]=4 456 B8R0.15 CCCC(C(=O)O)NC PI-43602 [0,2,0,0,0,0|0,0,0]=2 457 B8R0.15 CCCC(C(=O)O)NC PI-43851 [0,2,0,0,0,0|0,0,0]=2 458 B8R0.15 CCCC(CC)C(=O)O PI-50173 [0,2,0,0,0,0|0,0,0]=2 459 B8R0.29 C(CC(F)(F)F)C(=O)O PI-40185 [0,2,0,0,0,0|1,0,0]=3 460 B8R0.29 O=C(O)CNC(C)(C)C PI-40873 [0,2,0,0,0,0|1,0,0]=3 461 B8R0.29 OC(=O)COC(C)(C)C PI-22653 [0,2,0,0,0,0|1,0,0]=3 462 B6R1.2 C1COC(=O)N1 PI-10783 [1,0,0,1,0,0|1,0,0]=3 463 B6R1.2 C1CSCC1=O PI-11167 [1,0,0,1,0,0|2,0,0]=4 464 B6R1.2 C1OC(=O)C=C1 PI-37270 [1,0,0,1,0,0|0,0,2]=4 465 B6R1.2 O=C1CCOC1 PI-42678 [1,0,0,1,0,0|2,0,0]=4 466 B6R1.2 O=C1NCNC1 PI-35001 [1,0,0,1,0,0|2,0,0]=4 467 B6R1.5 C1C(CC1=O)N PI-48953 [1,0,0,1,0,0|2,0,0]=4 468 B6R1.11 C1CC1C(=N)N PI-13557 [1,0,0,1,0,0|2,0,0]=4 469 B6R1.11 C1CC1C(=O)Cl PI-32773 [1,0,0,1,0,0|1,0,0]=3 470 B6R1.11 C1CC1C(=O)N PI-30796 [1,0,0,1,0,0|1,0,0]=3 471 B6R1.11 CC(=O)C1CC1 PI-12875 [1,0,0,1,0,0|1,0,0]=3 472 B6R1.11 OB(O)C1CC1 PI-25551 [1,0,0,1,0,0|1,0,1]=4 473 B6R1.1 C1COCC=C1 PI-40555 [1,0,0,1,0,0|2,0,0]=4 474 B6R1.1 C1COCCN1 PI-42536 [1,0,0,1,0,0|1,0,1]=4 475 B6R1.1 C1CSCCO1 PI-40740 [1,0,0,1,0,0|1,0,1]=4 476 B6R1.6 BrCC1CCC1 PI-28204 [1,0,0,1,0,0|1,0,1]=4 477 B6R1.6 C1C(CO1)C=O PI-48343 [1,0,0,1,0,0|1,0,0]=3 478 B6R1.6 C1C(CO1)CO PI-48337 [1,0,0,1,0,0|1,0,1]=4 479 B6R1.6 C1CC(C1)CO PI-28530 [1,0,0,1,0,0|0,0,1]=3 480 B6R1.6 NCC1CCC1 PI-42247 [1,0,0,1,0,0|1,0,1]=4 481 B6R1.6 O=CC1CCC1 PI-36863 [1,0,0,1,0,0|0,0,0]=2 482 B6R1.6 OCC1COC1 PI-38455 [1,0,0,1,0,0|1,0,1]=4 483 B8R1.1 C1=CC(=O)OC1CO PI-27913 [0,1,0,1,0,0|0,0,2]=4 484 B8R1.1 C1C(OC(=O)N1)CCl PI-47082 [0,1,0,1,0,0|1,0,0]=3 485 B8R1.1 C1CC(=O)NC1CO PI-35695 [0,1,0,1,0,0|1,0,0]=3 486 B8R1.1 C=CC1CCC(=O)N1 PI-36755 [0,1,0,1,0,0|1,0,1]=4 487 B8R1.1 CCC1COC(=O)O1 PI-50185 [0,1,0,1,0,0|0,0,0]=2 488 B8R1.1 OC1CN(CC)CC1 PI-40304 [0,1,0,1,0,0|1,0,1]=4 489 B8R1.1 OC[C@@H]1CCC(=O)N1 PI-35779 [0,1,0,1,0,0|1,0,0]=3 490 B8R1.1 OC[C@@H]1CCC(=O)O1 PI-27485 [0,1,0,1,0,0|0,0,0]=2 491 B8R1.4 C1C(=O)OC(=O)CS1 PI-30475 [0,1,0,1,0,0|1,0,1]=4 492 B8R1.4 C1CC(=CC(=O)C1)N PI-30679 [0,1,0,1,0,0|1,0,1]=4 493 B8R1.4 C1CC(=O)NC(=O)C1 PI-44532 [0,1,0,1,0,0|1,0,1]=4 494 B8R1.4 C1CC(CC(C1)O)N PI-34780 [0,1,0,1,0,0|1,0,1]=4 495 B8R1.4 CC1CCCC(=O)N1 PI-35204 [0,1,0,1,0,0|1,0,0]=3 496 B8R1.4 C[C@@H]1CNC[C@@H](O1)C PI-12868 [0,1,0,1,0,0|1,0,1]=4 497 B8R1.4 O=C1CCCC(=O)C1 PI-32070 [0,1,0,1,0,0|1,0,1]=4 498 B8R1.4 O=C1CCC[C@@H](C)O1 PI-27587 [0,1,0,1,0,0|0,0,0]=2 499 B8R1.4 O=C1CCNC(=O)C1 PI-35208 [0,1,0,1,0,0|1,0,1]=4 500 B8R1.4 O=C1CCOC(C1)C PI-40554 [0,1,0,1,0,0|1,0,0]=3 501 B8R1.4 O=C1COCC(=O)O1 PI-29602 [0,1,0,1,0,0|1,0,1]=4 502 B8R1.4 O=C1NCCC(O)C1 PI-37263 [0,1,0,1,0,0|1,0,0]=3 503 B8R1.4 O=C1NCCN(C)C1 PI-41916 [0,1,0,1,0,0|2,0,0]=4 504 B8R1.18 CC1OC(=O)C(Br)C1 PI-27399 [0,1,0,1,0,0|0,0,0]=2 505 B8R1.34 CC(=O)NC1CNC1 PI-39138 [0,1,0,1,0,0|2,0,0]=4 506 B8R1.40 COC(=O)NC1CC1 PI-17914 [0,1,0,1,0,0|1,0,0]=3 507 B8R1.51 CC1COS(=O)(=O)O1 PI-36914 [0,1,0,1,0,0|2,0,0]=4 508 B8R1.51 C[C@@H]1COS(=O)(=O)O1 PI-48357 [0,1,0,1,0,0|2,0,0]=4 509 B8R1.2 C1CCC(CC1)NO PI-17940 [0,1,0,1,0,0|1,0,1]=4 510 B8R1.2 C1CCC(CC1)ON PI-47245 [0,1,0,1,0,0|1,0,1]=4 511 B8R1.2 C1CCN(CC1)C=O PI-33110 [0,1,0,1,0,0|2,0,0]=4 512 B8R1.2 C1CCNC(C1)C=O PI-13254 [0,1,0,1,0,0|1,0,1]=4 513 B8R1.2 C1CCNC(C1)CO PI-11061 [0,1,0,1,0,0|1,0,1]=4 514 B8R1.2 C1CCOC=C1C=O PI-21265 [0,1,0,1,0,0|2,0,0]=4 515 B8R1.2 NOC1CCCCO1 PI-31842 [0,1,0,1,0,0|0,0,2]=4 516 B8R1.2 O=CC1CCCCC1 PI-11615 [0,1,0,1,0,0|1,0,1]=4 517 B8R1.2 OCC1CCCCC1 PI-15325 [0,1,0,1,0,0|1,0,1]=4 518 B8R1.2 [C-]#[N+]C1=CCCCC1 PI-38752 [0,1,0,1,0,0|2,0,0]=4 519 B8R1.3 C1CC(CCC1N)O PI-10861 [0,1,0,1,0,0|1,0,1]=4 520 B8R1.3 C1CC(CCC1N)O PI-45759 [0,1,0,1,0,0|1,0,1]=4 521 B8R1.3 C1CC(CCC1O)O PI-47036 [0,1,0,1,0,0|1,0,1]=4 522 B8R1.3 CC1CCC(=O)CC1 PI-37804 [0,1,0,1,0,0|1,0,0]=3 523 B8R1.3 CN1CCC(=O)CC1 PI-31482 [0,1,0,1,0,0|2,0,0]=4 524 B8R1.3 C[C@@H]1CC[C@H](CC1)O PI-22724 [0,1,0,1,0,0|1,0,1]=4 525 B8R1.3 NC1CCC(CC1)O PI-17554 [0,1,0,1,0,0|1,0,1]=4 526 B8R1.3 N[C@H]1CC[C@@H](CC1)O PI-17994 [0,1,0,1,0,0|1,0,1]=4 527 B8R1.3 N[C@H]1CC[C@@H](O)CC1 PI-35848 [0,1,0,1,0,0|1,0,1]=4 528 B8R1.3 O=C1CCC(=O)CC1 PI-13127 [0,1,0,1,0,0|1,0,1]=4 529 B8R1.3 O[C@H]1CC[C@H](O)CC1 PI-47037 [0,1,0,1,0,0|1,0,1]=4 530 B8R1.5 C1CCC(=O)C(C1)O PI-29668 [0,1,0,1,0,0|0,0,0]=2 531 B8R1.5 C1CCC(C(C1)N)O PI-30701 [0,1,0,1,0,0|1,0,1]=4 532 B8R1.5 C1CCC(C(C1)N)O PI-35193 [0,1,0,1,0,0|1,0,1]=4 533 B8R1.5 C1CCC(C(C1)N)O PI-35194 [0,1,0,1,0,0|1,0,1]=4 534 B8R1.5 C1CNCC(C1=O)F PI-48942 [0,1,0,1,0,0|2,0,0]=4 535 B8R1.5 CC1CNCCC1=O PI-43304 [0,1,0,1,0,0|2,0,0]=4 536 B8R1.5 NC1CCCCC1O PI-17286 [0,1,0,1,0,0|1,0,1]=4 537 B8R1.5 N[C@H]1CCCC[C@@H]1O PI-38120 [0,1,0,1,0,0|1,0,1]=4 538 B8R1.5 N[C@H]1CCCC[C@H]1O PI-41464 [0,1,0,1,0,0|1,0,1]=4 539 B8R1.5 O=C1CCCCC1=O PI-20909 [0,1,0,1,0,0|0,0,1]=3 540 B8R1.5 O=C1CCOCC1F PI-39023 [0,1,0,1,0,0|2,0,0]=4 541 B8R1.5 O=C1NCCCC1O PI-41426 [0,1,0,1,0,0|1,0,0]=3 542 B8R1.5 O[C@H]1[C@H](N)CCCC1 PI-41097 [0,1,0,1,0,0|1,0,1]=4 543 B8R1.22 C1CC(=O)CCC=C1 PI-13020 [0,1,0,1,0,0|1,0,1]=4 544 B8R1.22 C1CC(=O)CCNC1 PI-40192 [0,1,0,1,0,0|1,0,0]=3 545 B8R1.22 C1CNCCNC1=O PI-35483 [0,1,0,1,0,0|1,0,0]=3 546 B8R1.22 C=C1OCCCCO1 PI-46618 [0,1,0,1,0,0|1,0,0]=3 547 B8R1.22 O=C1CNCCCN1 PI-34767 [0,1,0,1,0,0|1,0,0]=3 548 B8R1.38 COC(=O)C1CNC1 PI-40197 [0,1,0,1,0,0|1,0,0]=3 549 B8R1.38 COC(=O)C1CNC1 PI-43200 [0,1,0,1,0,0|1,0,0]=3 550 B8R1.38 COC(=O)[C@@H]1CCN1 PI-48283 [0,1,0,1,0,0|1,0,0]=3 551 B8R1.50 CC1=C(C(=O)CC1)O PI-11535 [0,1,0,1,0,0|0,0,1]=3 552 B8R1.50 CC1=C(C(=O)CO1)O PI-14302 [0,1,0,1,0,0|1,0,1]=4 553 B8R1.50 O=C1C(N)CCN1O PI-36170 [0,1,0,1,0,0|2,0,0]=4 554 B8R1.52 CCC1(CCCC1)O PI-37576 [0,1,0,1,0,0|1,0,1]=4 555 B8R1.52 NCC1(O)CCCC1 PI-36161 [0,1,0,1,0,0|1,0,1]=4 556 B8R1.7 C1C(NCS1)C(=O)O PI-12069 [0,1,0,1,0,0|1,0,0]=3 557 B8R1.7 C1C=CCC1C(=O)O PI-33725 [0,1,0,1,0,0|0,0,1]=3 558 B8R1.7 C1CC(NC1)C(=O)O PI-44957 [0,1,0,1,0,0|0,0,0]=2 559 B8R1.7 C1CC(OC1)C(=O)O PI-31322 [0,1,0,1,0,0|0,0,0]=2 560 B8R1.7 C1CC(OC1)C(=O)O PI-31323 [0,1,0,1,0,0|0,0,0]=2 561 B8R1.7 C1CC=C(C1)C(=O)O PI-30173 [0,1,0,1,0,0|0,0,1]=3 562 B8R1.7 C1CNCC1C(=O)O PI-25815 [0,1,0,1,0,0|0,0,0]=2 563 B8R1.7 C1COC=C1C(=O)O PI-48370 [0,1,0,1,0,0|0,0,2]=4 564 B8R1.7 C1COCC1C(=O)O PI-42680 [0,1,0,1,0,0|0,0,0]=2 565 B8R1.7 CC(=O)C1CCCC1 PI-38161 [0,1,0,1,0,0|1,0,0]=3 566 B8R1.7 CC(=O)C1CCOC1 PI-42706 [0,1,0,1,0,0|1,0,0]=3 567 B8R1.7 ClC(=O)C1CCCC1 PI-39144 [0,1,0,1,0,0|1,0,0]=3 568 B8R1.7 NC(=O)[C@@H]1CCCN1 PI-10274 [0,1,0,1,0,0|1,0,0]=3 569 B8R1.7 NC(=O)[C@@H]1CCCN1 PI-16579 [0,1,0,1,0,0|1,0,0]=3 570 B8R1.7 NC(=O)[C@H]1CCCN1 PI-16293 [0,1,0,1,0,0|1,0,0]=3 571 B8R1.7 OB(C1COCC1)O PI-38479 [0,1,0,1,0,0|1,0,1]=4 572 B8R1.7 OB(O)C1CCCC1 PI-20922 [0,1,0,1,0,0|1,0,1]=4 573 B8R1.7 OC(=O)C1CCCC1 PI-39143 [0,1,0,1,0,0|0,0,0]=2 574 B8R1.7 OC(=O)C1CCCO1 PI-33719 [0,1,0,1,0,0|0,0,0]=2 575 B8R1.7 OC(=O)C1CNCC1 PI-36920 [0,1,0,1,0,0|0,0,0]=2 576 B8R1.7 OC(=O)[C@H]1CCCN1 PI-31157 [0,1,0,1,0,0|0,0,0]=2 577 B8R1.7 OC(=O)[C@H]1NCC=C1 PI-38250 [0,1,0,1,0,0|0,0,2]=4 578 B8R1.72 C1CS(=O)(=O)CCN1 PI-17981 [0,1,0,1,0,0|1,0,1]=4 579 B8R1.72 CC1(CCCNC1)O PI-43320 [0,1,0,1,0,0|1,0,1]=4 580 B8R1.72 CC1(CCCNC1)O PI-43321 [0,1,0,1,0,0|1,0,1]=4 581 B8R1.72 CC1(CCNCC1)O PI-43202 [0,1,0,1,0,0|1,0,1]=4 582 B8R1.72 CC1(O)CCCCC1 PI-36472 [0,1,0,1,0,0|1,0,1]=4 583 B8R1.72 CC1(O)CCNCC1 PI-42681 [0,1,0,1,0,0|1,0,1]=4 584 B8R1.72 O=S1(=O)CCCCO1 PI-36820 [0,1,0,1,0,0|1,0,0]=3 585 B8R1.72 O=S1(=O)CCNCC1 PI-17980 [0,1,0,1,0,0|1,0,1]=4 586 B8R1.23 N[C@@H]1C[C@H](C1)C(=O)O PI-39343 [0,1,0,1,0,0|0,0,0]=2 587 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O PI-41738 [0,1,0,1,0,0|0,0,0]=2 588 B8R1.23 O=C1CC(C1)C(=O)O PI-38282 [0,1,0,1,0,0|0,0,1]=3 589 B8R1.54 C1CC1C(C(=O)O)N PI-25603 [0,1,0,1,0,0|0,0,0]=2 590 B8R1.54 C1CC1C(C(=O)O)N PI-43245 [0,1,0,1,0,0|0,0,0]=2 591 B8R1.78 C1CC(C1)(C(=O)O)N PI-33642 [0,1,0,1,0,0|0,0,0]=2 592 B8R1.78 O=C(C1(N)CCC1)O PI-31110 [0,1,0,1,0,0|0,0,0]=2 593 B8R1.78 OC(=O)C1(C)COC1 PI-38279 [0,1,0,1,0,0|1,0,0]=3 594 B8R1.78 OC(=O)C1(N)CCC1 PI-33186 [0,1,0,1,0,0|0,0,0]=2 595 B8R1.77 C1C(C1(Cl)Cl)C(=O)N PI-21024 [0,1,0,1,0,0|2,0,0]=4 596 B8R1.77 C1C(C1(F)F)C(=O)O PI-43181 [0,1,0,1,0,0|1,0,0]=3 597 B8R1.77 CC1(CC1C(=O)N)C PI-11227 [0,1,0,1,0,0|1,0,0]=3 598 B8R1.21 CC1C(O1)P(=O)(O)O PI-43002 [0,1,0,1,0,0|2,0,0]=4