0 B5R0.5 C=C(C)C(=O)Cl HR138689 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.5 C=C(C)C(=O)[O-] HR113778 [0,0,0,0,0,0|1,0,1]=2 2 B5R0.5 C=C(C)C(=O)[O-] HR114122 [0,0,0,0,0,0|1,0,1]=2 3 B5R0.5 C=C(C)C(=O)[O-] HR121033 [0,0,0,0,0,0|1,0,1]=2 4 B5R0.5 C=C(C)C(=O)[O-] HR122305 [0,0,0,0,0,0|1,0,1]=2 5 B5R0.5 C=C(C)C(=O)[O-] HR125115 [0,0,0,0,0,0|1,0,1]=2 6 B5R0.5 C=C(C)C(=O)[O-] HR135365 [0,0,0,0,0,0|1,0,1]=2 7 B5R0.5 C=C(C)C(N)=O HR124465 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.5 C=C(Cl)C(=O)O HR132918 [0,0,0,0,0,0|1,0,1]=2 9 B5R0.5 C=C(Cl)C(=O)[O-] HR118858 [0,0,0,0,0,0|1,0,2]=3 10 B5R0.5 C=C(N)C(=O)O HR106545 [0,0,0,0,0,0|1,0,1]=2 11 B5R0.5 CC(=O)C(=O)O HR137803 [0,0,0,0,0,0|0,0,0]=0 12 B5R0.5 CC(=O)C(=O)[O-] HR112958 [0,0,0,0,0,0|0,0,1]=1 13 B5R0.5 CC(=O)C(=O)[O-] HR125137 [0,0,0,0,0,0|0,0,1]=1 14 B5R0.5 CC(=O)C(=O)[O-] HR130480 [0,0,0,0,0,0|0,0,1]=1 15 B5R0.5 CC(=O)C(=O)[O-] HR132795 [0,0,0,0,0,0|0,0,1]=1 16 B5R0.5 CC(=O)C(C)=O HR147207 [0,0,0,0,0,0|1,0,0]=1 17 B5R0.5 CC(=O)C(C)Br HR130439 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.5 CC(=O)C(C)C HR147367 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.5 CC(=O)C(C)Cl HR132014 [0,0,0,0,0,0|2,0,1]=3 20 B5R0.5 CC(=O)C(C)S HR123296 [0,0,0,0,0,0|1,1,1]=3 21 B5R0.5 CC(=O)N(C)C HR128416 [0,0,0,0,0,0|3,0,0]=3 22 B5R0.5 CC(Br)C(=O)Cl HR136180 [0,0,0,0,0,0|2,0,1]=3 23 B5R0.5 CC(Br)C(=O)O HR118834 [0,0,0,0,0,0|1,0,1]=2 24 B5R0.5 CC(Br)C(=O)O HR119145 [0,0,0,0,0,0|1,0,1]=2 25 B5R0.5 CC(C)B(O)O HR125100 [0,0,0,0,0,0|2,0,2]=4 26 B5R0.5 CC(C)C(=N)N HR121738 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.5 CC(C)C(=O)Cl DAJL01406 [0,0,0,0,0,0|2,0,1]=3 28 B5R0.5 CC(C)C(N)=O HR130010 [0,0,0,0,0,0|2,0,1]=3 29 B5R0.5 CC(C)C(N)=S HR103461 [0,0,0,0,0,0|2,1,1]=4 30 B5R0.5 CC(Cl)C(=O)Cl HR127551 [0,0,0,0,0,0|2,0,1]=3 31 B5R0.5 CC(Cl)C(=O)O HR133703 [0,0,0,0,0,0|1,0,1]=2 32 B5R0.5 CC(Cl)C(=O)O HR5746 [0,0,0,0,0,0|1,0,1]=2 33 B5R0.5 CC(F)C(=O)O HR125319 [0,0,0,0,0,0|1,0,1]=2 34 B5R0.5 CC(N)B(O)O HR32488 [0,0,0,0,0,0|2,0,2]=4 35 B5R0.5 CC(N)B(O)O HR32531 [0,0,0,0,0,0|2,0,2]=4 36 B5R0.5 CC(N)B(O)O HR32539 [0,0,0,0,0,0|2,0,2]=4 37 B5R0.5 CC(N)C(=O)O HR127064 [0,0,0,0,0,0|1,0,1]=2 38 B5R0.5 CC(N)C(=O)O HR128842 [0,0,0,0,0,0|1,0,1]=2 39 B5R0.5 CC(N)C(=O)O HR135609 [0,0,0,0,0,0|1,0,1]=2 40 B5R0.5 CC(N)C(=O)O HR143449 [0,0,0,0,0,0|1,0,1]=2 41 B5R0.5 CC(N)C(C)O HR115270 [0,0,0,0,0,0|2,0,2]=4 42 B5R0.5 CC(N)C(N)=O HR121426 [0,0,0,0,0,0|2,0,1]=3 43 B5R0.5 CC(N)C(N)=O RAXM01501 [0,0,0,0,0,0|2,0,1]=3 44 B5R0.5 CC(N)[13C](=O)O HR144974 [0,0,0,0,0,0|1,0,1]=2 45 B5R0.5 CC(O)C(=O)O HR122637 [0,0,0,0,0,0|0,0,2]=2 46 B5R0.5 CC(O)C(=O)O HR124397 [0,0,0,0,0,0|0,0,2]=2 47 B5R0.5 CC(O)C(=O)O HR137557 [0,0,0,0,0,0|0,0,2]=2 48 B5R0.5 CC(O)C(=O)[O-] HR101208 [0,0,0,0,0,0|0,0,3]=3 49 B5R0.5 CC(O)C(=O)[O-] HR124337 [0,0,0,0,0,0|0,0,3]=3 50 B5R0.5 CC(O)C(=O)[O-] HR125547 [0,0,0,0,0,0|0,0,3]=3 51 B5R0.5 CC(O)C(=O)[O-] HR126089 [0,0,0,0,0,0|0,0,3]=3 52 B5R0.5 CC(O)C(=O)[O-] HR127008 [0,0,0,0,0,0|0,0,3]=3 53 B5R0.5 CC(O)C(=O)[O-] HR127541 [0,0,0,0,0,0|0,0,3]=3 54 B5R0.5 CC(O)C(=O)[O-] HR127693 [0,0,0,0,0,0|0,0,3]=3 55 B5R0.5 CC(O)C(=O)[O-] HR132263 [0,0,0,0,0,0|0,0,3]=3 56 B5R0.5 CC(O)C(C)O HR128860 [0,0,0,0,0,0|1,0,3]=4 57 B5R0.5 CC(O)C(C)O HR129128 [0,0,0,0,0,0|1,0,3]=4 58 B5R0.5 CC(O)C(C)O HR130175 [0,0,0,0,0,0|1,0,3]=4 59 B5R0.5 CC(O)C(N)=O HR103895 [0,0,0,0,0,0|1,0,2]=3 60 B5R0.5 CC(O)C(N)=O HR125386 [0,0,0,0,0,0|1,0,2]=3 61 B5R0.5 CN(C)C(=N)N HR119808 [0,0,0,0,0,0|4,0,0]=4 62 B5R0.5 CN(C)C(=N)N HR141686 [0,0,0,0,0,0|4,0,0]=4 63 B5R0.5 CN(C)C(=S)Cl HR134613 [0,0,0,0,0,0|3,1,0]=4 64 B5R0.5 CN(C)C(=S)[S-] HR128944 [0,0,0,0,0,0|2,2,0]=4 65 B5R0.5 CN(C)C(=S)[S-] HR135353 [0,0,0,0,0,0|2,2,0]=4 66 B5R0.5 CN(C)C(N)=O HR126485 [0,0,0,0,0,0|3,0,0]=3 67 B5R0.5 CN(N)C(N)=S HR137421 [0,0,0,0,0,0|3,1,0]=4 68 B5R0.5 C[13CH](N)C(=O)O HR143521 [0,0,0,0,0,0|1,0,1]=2 69 B5R0.5 FC(F)=C(Cl)Cl HR110102 [0,0,0,0,0,0|4,0,0]=4 70 B5R0.5 F\C(Cl)=C(/F)Cl HR150215 [0,0,0,0,0,0|4,0,0]=4 71 B5R0.5 NC(=O)C(Cl)Cl HR126778 [0,0,0,0,0,0|3,0,1]=4 72 B5R0.5 NC(=O)C(N)=O HR106809 [0,0,0,0,0,0|2,0,0]=2 73 B5R0.5 NC(=S)C(N)=S HR136922 [0,0,0,0,0,0|2,2,0]=4 74 B5R0.5 NC(=S)[NH2+](=O)[O-] HR128588 [0,0,0,0,0,0|2,1,1]=4 75 B5R0.5 O=C(Cl)C(=O)Cl TIJL03003 [0,0,0,0,0,0|2,0,0]=2 76 B5R0.5 O=C(Cl)C(F)F HR103865 [0,0,0,0,0,0|3,0,1]=4 77 B5R0.5 O=C(O)C(=O)O HR123261 [0,0,0,0,0,0|1,0,0]=1 78 B5R0.5 O=C(O)C(F)F HR125822 [0,0,0,0,0,0|2,0,1]=3 79 B5R0.5 O=C([O-])C(=O)O HR136858 [0,0,0,0,0,0|1,0,0]=1 80 B5R0.5 O=C([O-])C(=O)[O-] HR100686 [0,0,0,0,0,0|1,0,1]=2 81 B5R0.5 O=C([O-])C(=O)[O-] HR100962 [0,0,0,0,0,0|1,0,1]=2 82 B5R0.5 O=C([O-])C(=O)[O-] HR101005 [0,0,0,0,0,0|1,0,1]=2 83 B5R0.5 O=C([O-])C(=O)[O-] HR102573 [0,0,0,0,0,0|1,0,1]=2 84 B5R0.5 O=C([O-])C(=O)[O-] HR110849 [0,0,0,0,0,0|1,0,1]=2 85 B5R0.5 O=C([O-])C(=O)[O-] HR128357 [0,0,0,0,0,0|1,0,1]=2 86 B5R0.5 O=C([O-])C(=O)[O-] HR129686 [0,0,0,0,0,0|1,0,1]=2 87 B5R0.5 O=C([O-])C(=O)[O-] HR129949 [0,0,0,0,0,0|1,0,1]=2 88 B5R0.5 O=C([O-])C(=O)[O-] HR132963 [0,0,0,0,0,0|1,0,1]=2 89 B5R0.5 O=C([O-])C(=O)[O-] HR134379 [0,0,0,0,0,0|1,0,1]=2 90 B5R0.5 O=C([O-])C(=O)[O-] HR136084 [0,0,0,0,0,0|1,0,1]=2 91 B5R0.5 O=C([O-])C(=O)[O-] HR136170 [0,0,0,0,0,0|1,0,1]=2 92 B5R0.5 O=C([O-])C(=O)[O-] HR136344 [0,0,0,0,0,0|1,0,1]=2 93 B5R0.5 O=C([O-])C(=O)[O-] HR136431 [0,0,0,0,0,0|1,0,1]=2 94 B5R0.5 O=C([O-])C(=O)[O-] HR136606 [0,0,0,0,0,0|1,0,1]=2 95 B5R0.5 O=C([O-])C(=O)[O-] HR136689 [0,0,0,0,0,0|1,0,1]=2 96 B5R0.5 O=C([O-])C(=O)[O-] HR136946 [0,0,0,0,0,0|1,0,1]=2 97 B5R0.5 O=C([O-])C(=O)[O-] HR138096 [0,0,0,0,0,0|1,0,1]=2 98 B5R0.5 O=C([O-])C(=O)[O-] HR138340 [0,0,0,0,0,0|1,0,1]=2 99 B5R0.5 O=C([O-])C(Cl)Cl HR128840 [0,0,0,0,0,0|2,0,2]=4 100 B5R0.5 O=C([O-])C(F)F HR100204 [0,0,0,0,0,0|2,0,2]=4 101 B5R0.5 O=S([O-])S(=O)[O-] HR147609 [0,0,0,0,0,0|3,0,1]=4 102 B5R0.5 [13CH3]C(N)C(=O)O HR141384 [0,0,0,0,0,0|1,0,1]=2 103 B5R0.5 [13CH3]C(N)C(=O)O HR144202 [0,0,0,0,0,0|1,0,1]=2 104 B4R0.1 C=C(C)CBr HR118272 [1,0,0,0,0,0|2,0,1]=4 105 B4R0.1 C=C(C)CN HR103061 [1,0,0,0,0,0|2,0,1]=4 106 B4R0.1 C=C(C)OC HR127251 [1,0,0,0,0,0|3,0,0]=4 107 B4R0.1 C=C(C)[Mg]Br HR133880 [1,0,0,0,0,0|3,0,0]=4 108 B4R0.1 C=CC(=O)Cl HR138421 [1,0,0,0,0,0|1,0,1]=3 109 B4R0.1 C=CC(=O)O HR147507 [1,0,0,0,0,0|0,0,1]=2 110 B4R0.1 C=CC(=O)[O-] HR107941 [1,0,0,0,0,0|0,0,2]=3 111 B4R0.1 C=CC(=O)[O-] HR108077 [1,0,0,0,0,0|0,0,2]=3 112 B4R0.1 C=CC(=O)[O-] HR108254 [1,0,0,0,0,0|0,0,2]=3 113 B4R0.1 C=CC(=O)[O-] HR114407 [1,0,0,0,0,0|0,0,2]=3 114 B4R0.1 C=CC(=O)[O-] HR128661 [1,0,0,0,0,0|0,0,2]=3 115 B4R0.1 C=CC(=O)[O-] HR138209 [1,0,0,0,0,0|0,0,2]=3 116 B4R0.1 C=CC(C)=O NASA01402 [1,0,0,0,0,0|1,0,0]=2 117 B4R0.1 C=CC(C)N HR115106 [1,0,0,0,0,0|2,0,1]=4 118 B4R0.1 C=CC(C)N HR115412 [1,0,0,0,0,0|2,0,1]=4 119 B4R0.1 C=CC(C)O HR107775 [1,0,0,0,0,0|1,0,2]=4 120 B4R0.1 C=CC(N)=O HR124129 [1,0,0,0,0,0|1,0,1]=3 121 B4R0.1 C=CC(N)=O HR132105 [1,0,0,0,0,0|1,0,1]=3 122 B4R0.1 C=CC(N)=O HR147511 [1,0,0,0,0,0|1,0,1]=3 123 B4R0.1 C=C[N+](=O)[O-] HR118582 [1,0,0,0,0,0|1,0,2]=4 124 B4R0.1 CC(=O)C=O HR138052 [1,0,0,0,0,0|0,0,0]=1 125 B4R0.1 CC(=O)CBr HR147584 [1,0,0,0,0,0|1,0,1]=3 126 B4R0.1 CC(=O)CCl HR146994 [1,0,0,0,0,0|1,0,1]=3 127 B4R0.1 CC(=O)CN HR103911 [1,0,0,0,0,0|1,0,1]=3 128 B4R0.1 CC(=O)CN HR120199 [1,0,0,0,0,0|1,0,1]=3 129 B4R0.1 CC(=O)CO HR130889 [1,0,0,0,0,0|0,0,1]=2 130 B4R0.1 CC(=O)NN HR137209 [1,0,0,0,0,0|2,0,0]=3 131 B4R0.1 CC(=O)NO HR132350 [1,0,0,0,0,0|1,0,0]=2 132 B4R0.1 CC(=O)OO HR147573 [1,0,0,0,0,0|1,0,0]=2 133 B4R0.1 CC(C)=C=O HR100570 [1,0,0,0,0,0|1,0,1]=3 134 B4R0.1 CC(C)=NO HR135300 [1,0,0,0,0,0|2,0,0]=3 135 B4R0.1 CC(C)NO HR127909 [1,0,0,0,0,0|2,0,1]=4 136 B4R0.1 CC(C)NO HR128179 [1,0,0,0,0,0|2,0,1]=4 137 B4R0.1 CC(Cl)CO HR137607 [1,0,0,0,0,0|1,0,2]=4 138 B4R0.1 CC(Cl)CO HR145870 [1,0,0,0,0,0|1,0,2]=4 139 B4R0.1 CC(Cl)CO HR8287 [1,0,0,0,0,0|1,0,2]=4 140 B4R0.1 CC(N)CO HR128063 [1,0,0,0,0,0|1,0,2]=4 141 B4R0.1 CC(N)CO RESA03608 [1,0,0,0,0,0|1,0,2]=4 142 B4R0.1 CC(N)CO VAJB01501 [1,0,0,0,0,0|1,0,2]=4 143 B4R0.1 CC(O)CO HR123224 [1,0,0,0,0,0|0,0,3]=4 144 B4R0.1 CC(O)CO HR134690 [1,0,0,0,0,0|0,0,3]=4 145 B4R0.1 CC(O)CO HR135390 [1,0,0,0,0,0|0,0,3]=4 146 B4R0.1 CC([NH3+])CO HR127458 [1,0,0,0,0,0|1,0,2]=4 147 B4R0.1 CC=C(Cl)Cl HR101176 [1,0,0,0,0,0|2,0,0]=3 148 B4R0.1 CCB(O)O HR132210 [1,0,0,0,0,0|1,0,2]=4 149 B4R0.1 CCC(=N)N HR124081 [1,0,0,0,0,0|2,0,1]=4 150 B4R0.1 CCC(=O)[O-] HR100550 [1,0,0,0,0,0|0,0,2]=3 151 B4R0.1 CCC(=O)[O-] HR104439 [1,0,0,0,0,0|0,0,2]=3 152 B4R0.1 CCC(=O)[O-] HR133146 [1,0,0,0,0,0|0,0,2]=3 153 B4R0.1 CCC(=O)[O-] HR133686 [1,0,0,0,0,0|0,0,2]=3 154 B4R0.1 CCC(=O)[O-] HR140520 [1,0,0,0,0,0|0,0,2]=3 155 B4R0.1 CCC(=O)[O-] HR145618 [1,0,0,0,0,0|0,0,2]=3 156 B4R0.1 CCC(C)O HR134477 [1,0,0,0,0,0|1,0,2]=4 157 B4R0.1 CCC(C)O HR138640 [1,0,0,0,0,0|1,0,2]=4 158 B4R0.1 CCC(N)=O HR135085 [1,0,0,0,0,0|1,0,1]=3 159 B4R0.1 CCC(N)=S HR103772 [1,0,0,0,0,0|1,1,1]=4 160 B4R0.1 CCS(=O)[O-] HR107475 [1,0,0,0,0,0|1,0,2]=4 161 B4R0.1 CC[N+](=O)[O-] ANSA06411 [1,0,0,0,0,0|1,0,2]=4 162 B4R0.1 CN(C)C=O HR147510 [1,0,0,0,0,0|2,0,0]=3 163 B4R0.1 CN(C)C=S HR147835 [1,0,0,0,0,0|2,1,0]=4 164 B4R0.1 CNC(=N)N HR100834 [1,0,0,0,0,0|3,0,0]=4 165 B4R0.1 CNC(=N)N HR127277 [1,0,0,0,0,0|3,0,0]=4 166 B4R0.1 CNC(=O)Cl HR124675 [1,0,0,0,0,0|2,0,0]=3 167 B4R0.1 CNC(C)=O HR133410 [1,0,0,0,0,0|2,0,0]=3 168 B4R0.1 CNC(N)=O HR130491 [1,0,0,0,0,0|2,0,0]=3 169 B4R0.1 CNC(N)=S HR130920 [1,0,0,0,0,0|2,1,0]=4 170 B4R0.1 COC(=N)N HR109396 [1,0,0,0,0,0|3,0,0]=4 171 B4R0.1 COC(=N)N HR124434 [1,0,0,0,0,0|3,0,0]=4 172 B4R0.1 COC(=N)N HR127122 [1,0,0,0,0,0|3,0,0]=4 173 B4R0.1 COC(=N)N HR128592 [1,0,0,0,0,0|3,0,0]=4 174 B4R0.1 COC(=O)Cl ANSA06440 [1,0,0,0,0,0|2,0,0]=3 175 B4R0.1 COC(N)=O HR124182 [1,0,0,0,0,0|2,0,0]=3 176 B4R0.1 CSC(=N)N HR104771 [1,0,0,0,0,0|3,0,0]=4 177 B4R0.1 CSC(=N)N HR136603 [1,0,0,0,0,0|3,0,0]=4 178 B4R0.1 CSC(=N)N HR136931 [1,0,0,0,0,0|3,0,0]=4 179 B4R0.1 CSC(C)=O HR129778 [1,0,0,0,0,0|2,0,0]=3 180 B4R0.1 C[N+](C)=CCl HR128587 [1,0,0,0,0,0|3,0,0]=4 181 B4R0.1 N=C(N)CO HR114385 [1,0,0,0,0,0|2,0,1]=4 182 B4R0.1 NC(=O)CBr HR101040 [1,0,0,0,0,0|2,0,1]=4 183 B4R0.1 NC(=O)CBr HR132005 [1,0,0,0,0,0|2,0,1]=4 184 B4R0.1 NC(=O)CCl HR138619 [1,0,0,0,0,0|2,0,1]=4 185 B4R0.1 NC(=O)CI HR127038 [1,0,0,0,0,0|2,0,1]=4 186 B4R0.1 NC(=O)NO HR136334 [1,0,0,0,0,0|2,0,0]=3 187 B4R0.1 NCC(=O)O HR123103 [1,0,0,0,0,0|1,0,1]=3 188 B4R0.1 NCC(=O)O HR134482 [1,0,0,0,0,0|1,0,1]=3 189 B4R0.1 NCC(=O)[O-] HR100672 [1,0,0,0,0,0|1,0,2]=4 190 B4R0.1 NCC(=O)[O-] HR132852 [1,0,0,0,0,0|1,0,2]=4 191 B4R0.1 NCC(=O)[O-] HR132860 [1,0,0,0,0,0|1,0,2]=4 192 B4R0.1 NCC(=O)[O-] HR134278 [1,0,0,0,0,0|1,0,2]=4 193 B4R0.1 NCC(=O)[O-] HR136299 [1,0,0,0,0,0|1,0,2]=4 194 B4R0.1 NCC(=O)[O-] HR9921 [1,0,0,0,0,0|1,0,2]=4 195 B4R0.1 NCC(N)=O HR123368 [1,0,0,0,0,0|2,0,1]=4 196 B4R0.1 NCC(N)=O SESA01801 [1,0,0,0,0,0|2,0,1]=4 197 B4R0.1 NNC(N)=O AZXF00310 [1,0,0,0,0,0|3,0,0]=4 198 B4R0.1 NNC(N)=O HR100595 [1,0,0,0,0,0|3,0,0]=4 199 B4R0.1 O=C(Br)CBr POCQ01902 [1,0,0,0,0,0|2,0,1]=4 200 B4R0.1 O=C(Cl)CBr POCQ01905 [1,0,0,0,0,0|2,0,1]=4 201 B4R0.1 O=C(Cl)CCl SQJB01602 [1,0,0,0,0,0|2,0,1]=4 202 B4R0.1 O=C(Cl)CF HR102086 [1,0,0,0,0,0|2,0,1]=4 203 B4R0.1 O=C(O)CBr HR147062 [1,0,0,0,0,0|1,0,1]=3 204 B4R0.1 O=C(O)CCl HR147508 [1,0,0,0,0,0|1,0,1]=3 205 B4R0.1 O=C(O)CO HR128939 [1,0,0,0,0,0|0,0,2]=3 206 B4R0.1 O=C(O)CS HR128237 [1,0,0,0,0,0|0,1,1]=3 207 B4R0.1 O=C([O-])CBr HR116499 [1,0,0,0,0,0|1,0,2]=4 208 B4R0.1 O=C([O-])CI HR131471 [1,0,0,0,0,0|1,0,2]=4 209 B4R0.1 O=C([O-])CO HR134522 [1,0,0,0,0,0|1,0,1]=3 210 B4R0.1 O=C([O-])CS HR135616 [1,0,0,0,0,0|0,1,2]=4 211 B4R0.1 O=C([O-])CS HR135882 [1,0,0,0,0,0|0,1,2]=4 212 B4R0.1 O=C([O-])CS HR136156 [1,0,0,0,0,0|0,1,2]=4 213 B4R0.1 O=C([O-])CS HR137167 [1,0,0,0,0,0|0,1,2]=4 214 B4R0.1 O=CC(=O)O APSA07202 [1,0,0,0,0,0|0,0,0]=1 215 B4R0.1 O=CC(=O)O HR136448 [1,0,0,0,0,0|0,0,0]=1 216 B4R0.1 O=CC(=O)O HR136846 [1,0,0,0,0,0|0,0,0]=1 217 B4R0.1 O=CC(Cl)Cl HR126253 [1,0,0,0,0,0|2,0,1]=4 218 B4R0.1 O=S([O-])CO HR127617 [1,0,0,0,0,0|2,0,1]=4 219 B4R0.1 ON=C(Br)Br HR108966 [1,0,0,0,0,0|3,0,0]=4 220 B6R0.3 C=C(CC)C(=O)O HR118672 [0,1,0,0,0,0|1,0,0]=2 221 B6R0.3 C=C(F)C(=O)OC HR30168 [0,1,0,0,0,0|1,0,1]=3 222 B6R0.3 C=CC(=O)N(C)C HR129014 [0,1,0,0,0,0|3,0,0]=4 223 B6R0.3 C=CC(N)C(=O)O HR139947 [0,1,0,0,0,0|1,0,2]=4 224 B6R0.3 C=CC(N)C(=O)O HR146204 [0,1,0,0,0,0|1,0,2]=4 225 B6R0.3 C=CN(C)C(C)=O HR127450 [0,1,0,0,0,0|3,0,0]=4 226 B6R0.3 CC(=O)\C(C)=N\O HR130047 [0,1,0,0,0,0|1,0,0]=2 227 B6R0.3 CC(C)C(=O)CBr HR144939 [0,1,0,0,0,0|2,0,1]=4 228 B6R0.3 CC(C)C(=O)NN HR137490 [0,1,0,0,0,0|2,0,1]=4 229 B6R0.3 CC(CN)C(=O)O HR133030 [0,1,0,0,0,0|1,0,1]=3 230 B6R0.3 CCC(=O)C(=O)O HR128819 [0,1,0,0,0,0|0,0,0]=1 231 B6R0.3 CCC(=O)C(C)=O HR131826 [0,1,0,0,0,0|1,0,0]=2 232 B6R0.3 CCC(=O)C(C)Cl HR114937 [0,1,0,0,0,0|2,0,1]=4 233 B6R0.3 CCC(=O)N(C)C HR122269 [0,1,0,0,0,0|3,0,0]=4 234 B6R0.3 CCC(Br)C(=O)Cl HR115509 [0,1,0,0,0,0|2,0,1]=4 235 B6R0.3 CCC(Br)C(=O)O HR123595 [0,1,0,0,0,0|1,0,1]=3 236 B6R0.3 CCC(C)C(=O)Cl HR144038 [0,1,0,0,0,0|2,0,1]=4 237 B6R0.3 CCC(C)C(=O)O HR124401 [0,1,0,0,0,0|1,0,1]=3 238 B6R0.3 CCC(C)C(=O)O HR124666 [0,1,0,0,0,0|1,0,1]=3 239 B6R0.3 CCC(C)C(N)=O HR115534 [0,1,0,0,0,0|2,0,1]=4 240 B6R0.3 CCC(Cl)C(=O)O HR104193 [0,1,0,0,0,0|1,0,1]=3 241 B6R0.3 CCC(Cl)C(=O)O HR104505 [0,1,0,0,0,0|1,0,1]=3 242 B6R0.3 CCC(N)C(=O)O HR100731 [0,1,0,0,0,0|1,0,1]=3 243 B6R0.3 CCC(N)C(=O)O HR128531 [0,1,0,0,0,0|1,0,1]=3 244 B6R0.3 CCC(N)C(=O)O HR128797 [0,1,0,0,0,0|1,0,1]=3 245 B6R0.3 CCC(N)C(=O)O HR130831 [0,1,0,0,0,0|1,0,1]=3 246 B6R0.3 CCC(N)C(=O)O VOJL00901 [0,1,0,0,0,0|1,0,1]=3 247 B6R0.3 CCC(N)C(N)=O HR113889 [0,1,0,0,0,0|2,0,1]=4 248 B6R0.3 CCC(N)C(N)=O HR133280 [0,1,0,0,0,0|2,0,1]=4 249 B6R0.3 CCC(O)C(=O)O HR145745 [0,1,0,0,0,0|0,0,2]=3 250 B6R0.3 CCC(O)C(=O)O HR8265 [0,1,0,0,0,0|0,0,2]=3 251 B6R0.3 CCC(S)C(C)=O HR124234 [0,1,0,0,0,0|1,1,1]=4 252 B6R0.3 CCN(C)C(=O)Cl HR16066 [0,1,0,0,0,0|3,0,0]=4 253 B6R0.3 CN(C)C(=O)CCl HR133574 [0,1,0,0,0,0|3,0,0]=4 254 B6R0.3 CN(C)C(=O)CN HR107364 [0,1,0,0,0,0|3,0,0]=4 255 B6R0.3 CN(C)C(=O)CN HR119152 [0,1,0,0,0,0|3,0,0]=4 256 B6R0.3 CNC(=O)N(C)C HR100405 [0,1,0,0,0,0|3,0,0]=4 257 B6R0.3 CNC(C)C(=O)O HR126490 [0,1,0,0,0,0|1,0,1]=3 258 B6R0.3 CNC(C)C(=O)O HR131233 [0,1,0,0,0,0|1,0,1]=3 259 B6R0.3 CNC(C)C(=O)O HR138734 [0,1,0,0,0,0|1,0,1]=3 260 B6R0.3 CNC(C)C(=O)[O-] HR145674 [0,1,0,0,0,0|1,0,2]=4 261 B6R0.3 COC(=O)C(=O)Cl FOXF01206 [0,1,0,0,0,0|1,0,0]=2 262 B6R0.3 COC(=O)C(C)=O HR131015 [0,1,0,0,0,0|0,0,0]=1 263 B6R0.3 COC(=O)C(C)Br HR123627 [0,1,0,0,0,0|1,0,1]=3 264 B6R0.3 COC(=O)C(C)Cl HR133108 [0,1,0,0,0,0|1,0,1]=3 265 B6R0.3 COC(=O)C(C)N HR10884 [0,1,0,0,0,0|1,0,1]=3 266 B6R0.3 COC(=O)C(C)N HR126866 [0,1,0,0,0,0|1,0,1]=3 267 B6R0.3 COC(=O)C(C)N HR127180 [0,1,0,0,0,0|1,0,1]=3 268 B6R0.3 COC(=O)C(C)O HR133668 [0,1,0,0,0,0|0,0,2]=3 269 B6R0.3 COC(=O)C(C)O HR6056 [0,1,0,0,0,0|0,0,2]=3 270 B6R0.3 COC(=O)C(F)F HR120744 [0,1,0,0,0,0|2,0,1]=4 271 B6R0.3 COC(=O)C(N)=O HR115965 [0,1,0,0,0,0|1,0,0]=2 272 B6R0.3 CON(C)C(C)=O HR136259 [0,1,0,0,0,0|2,0,0]=3 273 B6R0.3 CSC(C)C(C)=O HR133684 [0,1,0,0,0,0|1,1,1]=4 274 B6R0.3 C\C=C(/C)C(=O)Cl HR120157 [0,1,0,0,0,0|2,0,0]=3 275 B6R0.3 C\C=C(/C)C(=O)O HR127692 [0,1,0,0,0,0|1,0,0]=2 276 B6R0.3 C\C=C(/C)C(=O)O HR140908 [0,1,0,0,0,0|1,0,0]=2 277 B6R0.3 C\C=C(\C)B(O)O HR33800 [0,1,0,0,0,0|2,0,1]=4 278 B6R0.3 NC(=O)C(Br)CBr HR125555 [0,1,0,0,0,0|2,0,1]=4 279 B6R0.3 NC(=O)C(N)CO HR115072 [0,1,0,0,0,0|2,0,1]=4 280 B6R0.3 NC(CO)C(=O)O HR10704 [0,1,0,0,0,0|1,0,1]=3 281 B6R0.3 NC(CO)C(=O)O HR11003 [0,1,0,0,0,0|1,0,1]=3 282 B6R0.3 NC(CO)C(=O)O HR136009 [0,1,0,0,0,0|1,0,1]=3 283 B6R0.3 NC(CS)C(=O)O HR125082 [0,1,0,0,0,0|1,0,1]=3 284 B6R0.3 NC(CS)C(=O)O HR125295 [0,1,0,0,0,0|1,0,1]=3 285 B6R0.3 NC(CS)C(=O)O HR125344 [0,1,0,0,0,0|1,0,1]=3 286 B6R0.3 NC(CS)C(=O)O HR129167 [0,1,0,0,0,0|1,0,1]=3 287 B6R0.3 NC(CS)C(=O)O HR129315 [0,1,0,0,0,0|1,0,1]=3 288 B6R0.3 NC(CS)C(=O)O HR129684 [0,1,0,0,0,0|1,0,1]=3 289 B6R0.3 NC(CS)C(=O)O HR135781 [0,1,0,0,0,0|1,0,1]=3 290 B6R0.3 NC(CS)C(=O)O HR136316 [0,1,0,0,0,0|1,0,1]=3 291 B6R0.3 NC(C[SeH])C(=O)O HR101211 [0,1,0,0,0,0|1,0,1]=3 292 B6R0.3 NCC(N)C(=O)O HR101827 [0,1,0,0,0,0|1,0,1]=3 293 B6R0.3 NCC(N)C(=O)O HR120379 [0,1,0,0,0,0|1,0,1]=3 294 B6R0.3 NCC(N)C(=O)O HR130162 [0,1,0,0,0,0|1,0,1]=3 295 B6R0.3 NCC(N)C(=O)O HR137268 [0,1,0,0,0,0|1,0,1]=3 296 B6R0.3 NCC(O)C(=O)O HR126827 [0,1,0,0,0,0|0,0,2]=3 297 B6R0.3 NCC(O)C(=O)O HR145757 [0,1,0,0,0,0|0,0,2]=3 298 B6R0.3 NCC(O)C(=O)O HR145758 [0,1,0,0,0,0|0,0,2]=3 299 B6R0.3 O=C(CBr)C(Br)Br HR130684 [0,1,0,0,0,0|2,0,1]=4 300 B6R0.3 O=C(Cl)C(Br)CBr HR128333 [0,1,0,0,0,0|2,0,1]=4 301 B6R0.3 O=C(O)C(=O)CBr HR129820 [0,1,0,0,0,0|0,0,0]=1 302 B6R0.3 O=C(O)C(Br)CBr HR128067 [0,1,0,0,0,0|1,0,1]=3 303 B6R0.3 O=C(O)C(Br)CO HR121810 [0,1,0,0,0,0|1,0,1]=3 304 B6R0.3 O=C(O)C(Cl)CCl HR102337 [0,1,0,0,0,0|1,0,1]=3 305 B6R0.7 CC(=O)C(C)(C)C HR147694 [0,1,0,0,0,0|2,0,1]=4 306 B6R0.7 CC(=O)C(C)(C)O HR125473 [0,1,0,0,0,0|1,0,1]=3 307 B6R0.7 CC(=O)C(Cl)(Cl)Cl HR122621 [0,1,0,0,0,0|2,0,1]=4 308 B6R0.7 CC(=O)C(F)(F)F HR150212 [0,1,0,0,0,0|2,0,1]=4 309 B6R0.7 CC(=O)[Si](C)(C)C HR104737 [0,1,0,0,0,0|2,1,0]=4 310 B6R0.7 CC(C)(Br)C(=O)Br HR133497 [0,1,0,0,0,0|2,0,1]=4 311 B6R0.7 CC(C)(Br)C(=O)O HR133224 [0,1,0,0,0,0|1,0,1]=3 312 B6R0.7 CC(C)(C)C(=O)Cl HR147696 [0,1,0,0,0,0|2,0,1]=4 313 B6R0.7 CC(C)(C)C(=O)O HR129720 [0,1,0,0,0,0|1,0,1]=3 314 B6R0.7 CC(C)(C)C(=O)S HR142293 [0,1,0,0,0,0|1,1,1]=4 315 B6R0.7 CC(C)(C)C(=O)[O-] HR116684 [0,1,0,0,0,0|1,0,2]=4 316 B6R0.7 CC(C)(C)C(=O)[O-] HR118949 [0,1,0,0,0,0|1,0,2]=4 317 B6R0.7 CC(C)(C)C(N)=O SEXF01404 [0,1,0,0,0,0|2,0,1]=4 318 B6R0.7 CC(C)(N)C(=O)O HR126357 [0,1,0,0,0,0|1,0,1]=3 319 B6R0.7 CC(C)(O)C(=O)O HR138865 [0,1,0,0,0,0|0,0,2]=3 320 B6R0.7 CC(C)(S)C(=O)O HR123342 [0,1,0,0,0,0|0,1,1]=3 321 B6R0.7 CC(Cl)(Cl)C(=O)O HR134854 [0,1,0,0,0,0|1,0,1]=3 322 B6R0.7 CC(Cl)(Cl)C(=O)[O-] HR100472 [0,1,0,0,0,0|1,0,2]=4 323 B6R0.7 CC(F)(F)C(=O)O HR137545 [0,1,0,0,0,0|1,0,1]=3 324 B6R0.7 CC(N)P(=O)(O)O HR131234 [0,1,0,0,0,0|2,0,1]=4 325 B6R0.7 O=C(O)C(F)(F)Br HR120115 [0,1,0,0,0,0|2,0,1]=4 326 B6R0.7 O=C(O)C(F)(F)Cl HR129660 [0,1,0,0,0,0|2,0,1]=4 327 B6R0.7 O=C(O)C(F)(F)F HR104118 [0,1,0,0,0,0|2,0,1]=4 328 B6R0.7 O=C(O)C(F)(F)F HR146992 [0,1,0,0,0,0|2,0,1]=4 329 B6R0.7 O=C([O-])P(=O)(O)O HR105036 [0,1,0,0,0,0|2,0,0]=3 330 B6R0.7 O=C([O-])P(=O)(O)O HR133507 [0,1,0,0,0,0|2,0,0]=3 331 B6R1.11 C=C(C)C1CO1 HR139225 [0,0,0,1,0,0|2,0,1]=4 332 B6R1.11 CC(=O)C1CC1 HR134464 [0,0,0,1,0,0|2,0,1]=4 333 B6R1.11 NC(=O)C1CC1 HR21401 [0,0,0,1,0,0|2,0,1]=4 334 B6R1.11 O=C(Cl)C1CC1 FISA07805 [0,0,0,1,0,0|2,0,1]=4 335 B6R1.11 O=C(O)C1CC1 HR133116 [0,0,0,1,0,0|1,0,1]=3 336 B6R0.2 CC(=O)CC(=O)[O-] HR126081 [0,0,0,0,0,1|0,0,1]=2 337 B6R0.2 CC(=O)CC(C)=O AVJB01201 [0,0,0,0,0,1|1,0,0]=2 338 B6R0.2 CC(=O)CC(C)=O CUSA07105 [0,0,0,0,0,1|1,0,0]=2 339 B6R0.2 CC(=O)CC(C)=O HR108604 [0,0,0,0,0,1|1,0,0]=2 340 B6R0.2 CC(=O)CC(N)=O HR125580 [0,0,0,0,0,1|1,0,0]=2 341 B6R0.2 CC(=O)NC(=N)N HR3986 [0,0,0,0,0,1|2,0,0]=3 342 B6R0.2 CC(=O)NC(C)C ABSA04901 [0,0,0,0,0,1|2,0,1]=4 343 B6R0.2 CC(=O)OC(C)=O NASA01407 [0,0,0,0,0,1|1,0,0]=2 344 B6R0.2 CC(=O)OC(C)Br HR115050 [0,0,0,0,0,1|2,0,1]=4 345 B6R0.2 CC(=O)\C=C(/C)N HR105871 [0,0,0,0,0,1|2,0,0]=3 346 B6R0.2 CC(=O)\C=C(\C)[O-] HR100501 [0,0,0,0,0,1|1,0,1]=3 347 B6R0.2 CC(=O)\C=C(\C)[O-] HR107173 [0,0,0,0,0,1|1,0,1]=3 348 B6R0.2 CC(=O)\C=C(\C)[O-] HR113781 [0,0,0,0,0,1|1,0,1]=3 349 B6R0.2 CC(=O)\C=C(\C)[O-] HR117143 [0,0,0,0,0,1|1,0,1]=3 350 B6R0.2 CC(C)=CC(=O)Cl HR129281 [0,0,0,0,0,1|2,0,0]=3 351 B6R0.2 CC(C)=CC(=O)O HR21295 [0,0,0,0,0,1|1,0,0]=2 352 B6R0.2 CC(C)CC(=O)O HR123359 [0,0,0,0,0,1|1,0,1]=3 353 B6R0.2 CC(C)CC(N)=O HR109732 [0,0,0,0,0,1|2,0,1]=4 354 B6R0.2 CC(N)CC(=O)O HR103780 [0,0,0,0,0,1|1,0,1]=3 355 B6R0.2 CC(N)CC(=O)O HR116211 [0,0,0,0,0,1|1,0,1]=3 356 B6R0.2 CC(N)CC(=O)O HR120488 [0,0,0,0,0,1|1,0,1]=3 357 B6R0.2 CC(N)CC(=O)O HR124863 [0,0,0,0,0,1|1,0,1]=3 358 B6R0.2 CC(O)CC(=O)[O-] HR147106 [0,0,0,0,0,1|0,0,3]=4 359 B6R0.2 CN(C)CC(=O)O HR127289 [0,0,0,0,0,1|2,0,0]=3 360 B6R0.2 CN(C)CC(=O)[O-] HR134057 [0,0,0,0,0,1|2,0,1]=4 361 B6R0.2 C[S+](C)CC(=O)[O-] HR107996 [0,0,0,0,0,1|2,0,1]=4 362 B6R0.2 N=C(N)CC(N)=O HR137702 [0,0,0,0,0,1|3,0,0]=4 363 B6R0.2 N=C(N)NC(N)=O HR122408 [0,0,0,0,0,1|3,0,0]=4 364 B6R0.2 N=C(N)NC(N)=O HR122672 [0,0,0,0,0,1|3,0,0]=4 365 B6R0.2 NC(=O)CC(N)=O HR138203 [0,0,0,0,0,1|2,0,0]=3 366 B6R0.2 NC(=O)C[N+](=O)[O-] HR32032 [0,0,0,0,0,1|2,0,1]=4 367 B6R0.2 NC(=O)NC(N)=O HR130501 [0,0,0,0,0,1|2,0,0]=3 368 B6R0.2 O=C(O)CC(=O)O DACQ01002 [0,0,0,0,0,1|1,0,0]=2 369 B6R0.2 O=C(O)CC(=O)O HR144418 [0,0,0,0,0,1|1,0,0]=2 370 B6R0.2 O=C([O-])CC(=O)[O-] HR125830 [0,0,0,0,0,1|1,0,1]=3 371 B6R0.2 O=C([O-])CC(=O)[O-] HR131351 [0,0,0,0,0,1|1,0,1]=3 372 B6R0.2 O=C([O-])OC(=O)[O-] HR101507 [0,0,0,0,0,1|1,0,1]=3 373 B3R0.1 C#CC=O HR107808 [2,0,0,0,0,0|0,0,2]=4 374 B3R0.1 C=C=CC HR102099 [2,0,0,0,0,0|1,0,1]=4 375 B3R0.1 CCC=O HR147700 [2,0,0,0,0,0|0,0,1]=3 376 B3R0.1 CCNO HR134189 [2,0,0,0,0,0|1,0,1]=4 377 B3R0.1 CNC=O HR129999 [2,0,0,0,0,0|1,0,0]=3 378 B3R0.1 C\C=C\C HR122646 [2,0,0,0,0,0|1,0,0]=3 379 B3R0.1 C\C=C\C HR122910 [2,0,0,0,0,0|1,0,0]=3 380 B3R0.1 Cl\C=C\Cl HR134929 [2,0,0,0,0,0|2,0,0]=4 381 B3R0.1 NNC=O FOXF01201 [2,0,0,0,0,0|2,0,0]=4 382 B3R0.1 O=CC=O HR136593 [2,0,0,0,0,0|0,0,0]=2 383 B3R0.1 O=CCCl HR147594 [2,0,0,0,0,0|1,0,1]=4 384 B3R0.1 O=CCS HR100447 [2,0,0,0,0,0|0,1,1]=4 385 B3R0.2 C=C(F)Br HR110418 [2,0,0,0,0,0|2,0,0]=4 386 B3R0.2 C=C(F)Cl HR110734 [2,0,0,0,0,0|2,0,0]=4 387 B3R0.2 C=[N+](C)C HR101548 [2,0,0,0,0,0|2,0,0]=4 388 B3R0.2 CB(O)O HR125352 [2,0,0,0,0,0|1,0,1]=4 389 B3R0.2 CC(=N)N HR126542 [2,0,0,0,0,0|2,0,0]=4 390 B3R0.2 CC(=O)Br HR147574 [2,0,0,0,0,0|1,0,0]=3 391 B3R0.2 CC(=O)Cl ANSA06435 [2,0,0,0,0,0|1,0,0]=3 392 B3R0.2 CC(=O)O HR101021 [2,0,0,0,0,0|0,0,0]=2 393 B3R0.2 CC(=O)O HR106009 [2,0,0,0,0,0|0,0,0]=2 394 B3R0.2 CC(=O)O HR144874 [2,0,0,0,0,0|0,0,0]=2 395 B3R0.2 CC(=O)[O-] HR100397 [2,0,0,0,0,0|0,0,1]=3 396 B3R0.2 CC(=O)[O-] HR100452 [2,0,0,0,0,0|0,0,1]=3 397 B3R0.2 CC(=O)[O-] HR100574 [2,0,0,0,0,0|0,0,1]=3 398 B3R0.2 CC(=O)[O-] HR101017 [2,0,0,0,0,0|0,0,1]=3 399 B3R0.2 CC(=O)[O-] HR101061 [2,0,0,0,0,0|0,0,1]=3 400 B3R0.2 CC(=O)[O-] HR101458 [2,0,0,0,0,0|0,0,1]=3 401 B3R0.2 CC(=O)[O-] HR101465 [2,0,0,0,0,0|0,0,1]=3 402 B3R0.2 CC(=O)[O-] HR101582 [2,0,0,0,0,0|0,0,1]=3 403 B3R0.2 CC(=O)[O-] HR101606 [2,0,0,0,0,0|0,0,1]=3 404 B3R0.2 CC(=O)[O-] HR101993 [2,0,0,0,0,0|0,0,1]=3 405 B3R0.2 CC(=O)[O-] HR104129 [2,0,0,0,0,0|0,0,1]=3 406 B3R0.2 CC(=O)[O-] HR104441 [2,0,0,0,0,0|0,0,1]=3 407 B3R0.2 CC(=O)[O-] HR105065 [2,0,0,0,0,0|0,0,1]=3 408 B3R0.2 CC(=O)[O-] HR107933 [2,0,0,0,0,0|0,0,1]=3 409 B3R0.2 CC(=O)[O-] HR10966 [2,0,0,0,0,0|0,0,1]=3 410 B3R0.2 CC(=O)[O-] HR118324 [2,0,0,0,0,0|0,0,1]=3 411 B3R0.2 CC(=O)[O-] HR120919 [2,0,0,0,0,0|0,0,1]=3 412 B3R0.2 CC(=O)[O-] HR122569 [2,0,0,0,0,0|0,0,1]=3 413 B3R0.2 CC(=O)[O-] HR123632 [2,0,0,0,0,0|0,0,1]=3 414 B3R0.2 CC(=O)[O-] HR123894 [2,0,0,0,0,0|0,0,1]=3 415 B3R0.2 CC(=O)[O-] HR123911 [2,0,0,0,0,0|0,0,1]=3 416 B3R0.2 CC(=O)[O-] HR124155 [2,0,0,0,0,0|0,0,1]=3 417 B3R0.2 CC(=O)[O-] HR126247 [2,0,0,0,0,0|0,0,1]=3 418 B3R0.2 CC(=O)[O-] HR127039 [2,0,0,0,0,0|0,0,1]=3 419 B3R0.2 CC(=O)[O-] HR127642 [2,0,0,0,0,0|0,0,1]=3 420 B3R0.2 CC(=O)[O-] HR128953 [2,0,0,0,0,0|0,0,1]=3 421 B3R0.2 CC(=O)[O-] HR130171 [2,0,0,0,0,0|0,0,1]=3 422 B3R0.2 CC(=O)[O-] HR131284 [2,0,0,0,0,0|0,0,1]=3 423 B3R0.2 CC(=O)[O-] HR131740 [2,0,0,0,0,0|0,0,1]=3 424 B3R0.2 CC(=O)[O-] HR132897 [2,0,0,0,0,0|0,0,1]=3 425 B3R0.2 CC(=O)[O-] HR136717 [2,0,0,0,0,0|0,0,1]=3 426 B3R0.2 CC(=O)[O-] HR137902 [2,0,0,0,0,0|0,0,1]=3 427 B3R0.2 CC(=O)[O-] HR138420 [2,0,0,0,0,0|0,0,1]=3 428 B3R0.2 CC(=O)[O-] HR138688 [2,0,0,0,0,0|0,0,1]=3 429 B3R0.2 CC(=O)[O-] HR138953 [2,0,0,0,0,0|0,0,1]=3 430 B3R0.2 CC(=O)[O-] HR141575 [2,0,0,0,0,0|0,0,1]=3 431 B3R0.2 CC(=O)[O-] HR142478 [2,0,0,0,0,0|0,0,1]=3 432 B3R0.2 CC(=O)[O-] HR144610 [2,0,0,0,0,0|0,0,1]=3 433 B3R0.2 CC(=O)[O-] HR3997 [2,0,0,0,0,0|0,0,1]=3 434 B3R0.2 CC(C)=O AUSA03806 [2,0,0,0,0,0|0,0,1]=3 435 B3R0.2 CC(N)=O HR137897 [2,0,0,0,0,0|1,0,0]=3 436 B3R0.2 CC(N)=S FOXF01202 [2,0,0,0,0,0|1,1,0]=4 437 B3R0.2 CC([O-])=S HR123449 [2,0,0,0,0,0|0,1,1]=4 438 B3R0.2 CS(=O)O HR102459 [2,0,0,0,0,0|1,0,0]=3 439 B3R0.2 CS(C)=O HR127060 [2,0,0,0,0,0|1,0,1]=4 440 B3R0.2 C[P+](C)=O HR103883 [2,0,0,0,0,0|1,0,1]=4 441 B3R0.2 C[Sn](C)=O HR100537 [2,0,0,0,0,0|1,0,1]=4 442 B3R0.2 NC(=O)Cl HR134935 [2,0,0,0,0,0|2,0,0]=4 443 B3R0.2 NC(N)=O AZXF00309 [2,0,0,0,0,0|2,0,0]=4 444 B3R0.2 NC(N)=O HR127948 [2,0,0,0,0,0|2,0,0]=4 445 B3R0.2 NC(N)=O HR147742 [2,0,0,0,0,0|2,0,0]=4 446 B3R0.2 O=C(Cl)Cl HR128987 [2,0,0,0,0,0|2,0,0]=4 447 B3R0.2 O=C(O)O HR100793 [2,0,0,0,0,0|0,0,1]=3 448 B3R0.2 O=C([O-])O HR100655 [2,0,0,0,0,0|0,0,1]=3 449 B3R0.2 O=C([O-])O HR100759 [2,0,0,0,0,0|0,0,1]=3 450 B3R0.2 O=C([O-])O HR101616 [2,0,0,0,0,0|0,0,1]=3 451 B3R0.2 O=C([O-])O HR101676 [2,0,0,0,0,0|0,0,1]=3 452 B3R0.2 O=C([O-])O HR101797 [2,0,0,0,0,0|0,0,1]=3 453 B3R0.2 O=C([O-])O HR115471 [2,0,0,0,0,0|0,0,1]=3 454 B3R0.2 O=C([O-])O HR118195 [2,0,0,0,0,0|0,0,1]=3 455 B3R0.2 O=C([O-])O HR122654 [2,0,0,0,0,0|0,0,1]=3 456 B3R0.2 O=C([O-])[O-] FEXF010 [2,0,0,0,0,0|0,0,2]=4 457 B3R0.2 O=C([O-])[O-] HR100418 [2,0,0,0,0,0|0,0,2]=4 458 B3R0.2 O=C([O-])[O-] HR100733 [2,0,0,0,0,0|0,0,2]=4 459 B3R0.2 O=C([O-])[O-] HR100927 [2,0,0,0,0,0|0,0,2]=4 460 B3R0.2 O=C([O-])[O-] HR101351 [2,0,0,0,0,0|0,0,2]=4 461 B3R0.2 O=C([O-])[O-] HR101390 [2,0,0,0,0,0|0,0,2]=4 462 B3R0.2 O=C([O-])[O-] HR101416 [2,0,0,0,0,0|0,0,2]=4 463 B3R0.2 O=C([O-])[O-] HR101644 [2,0,0,0,0,0|0,0,2]=4 464 B3R0.2 O=C([O-])[O-] HR102880 [2,0,0,0,0,0|0,0,2]=4 465 B3R0.2 O=C([O-])[O-] HR103510 [2,0,0,0,0,0|0,0,2]=4 466 B3R0.2 O=C([O-])[O-] HR108875 [2,0,0,0,0,0|0,0,2]=4 467 B3R0.2 O=C([O-])[O-] HR121817 [2,0,0,0,0,0|0,0,2]=4 468 B3R0.2 O=C([O-])[O-] HR122918 [2,0,0,0,0,0|0,0,2]=4 469 B3R0.2 O=C([O-])[O-] HR128512 [2,0,0,0,0,0|0,0,2]=4 470 B3R0.2 O=C([O-])[O-] HR128774 [2,0,0,0,0,0|0,0,2]=4 471 B3R0.2 O=C([O-])[O-] HR128951 [2,0,0,0,0,0|0,0,2]=4 472 B3R0.2 O=C([O-])[O-] HR129215 [2,0,0,0,0,0|0,0,2]=4 473 B3R0.2 O=C([O-])[O-] HR129240 [2,0,0,0,0,0|0,0,2]=4 474 B3R0.2 O=C([O-])[O-] HR129495 [2,0,0,0,0,0|0,0,2]=4 475 B3R0.2 O=C([O-])[O-] HR129753 [2,0,0,0,0,0|0,0,2]=4 476 B3R0.2 O=C([O-])[O-] HR130070 [2,0,0,0,0,0|0,0,2]=4 477 B3R0.2 O=C([O-])[O-] HR132486 [2,0,0,0,0,0|0,0,2]=4 478 B3R0.2 O=C([O-])[O-] HR132642 [2,0,0,0,0,0|0,0,2]=4 479 B3R0.2 O=C([O-])[O-] HR137979 [2,0,0,0,0,0|0,0,2]=4 480 B3R0.2 O=C([O-])[O-] HR138144 [2,0,0,0,0,0|0,0,2]=4 481 B3R0.2 O=C([O-])[O-] HR138405 [2,0,0,0,0,0|0,0,2]=4 482 B3R0.2 O=C([O-])[O-] HR145434 [2,0,0,0,0,0|0,0,2]=4 483 B3R0.2 O=P(=O)[O-] HR110141 [2,0,0,0,0,0|1,0,1]=4 484 B3R0.2 O=P(=O)[O-] HR118116 [2,0,0,0,0,0|1,0,1]=4 485 B3R0.2 O=S(O)O HR100386 [2,0,0,0,0,0|1,0,1]=4 486 B3R0.2 O=S(O)O HR101764 [2,0,0,0,0,0|1,0,1]=4 487 B3R0.2 O=S([O-])O HR122861 [2,0,0,0,0,0|1,0,1]=4 488 B3R0.2 O=[Mo](=O)=O HR131585 [2,0,0,0,0,0|1,0,1]=4 489 B3R0.2 O=[N+]([O-])O HR100487 [2,0,0,0,0,0|1,0,1]=4 490 B3R0.2 O=[N+]([O-])O HR147593 [2,0,0,0,0,0|1,0,1]=4 491 B3R0.2 O=[Si](O)O HR136637 [2,0,0,0,0,0|0,1,1]=4 492 B3R0.2 O=[Sn](O)O HR126016 [2,0,0,0,0,0|1,0,1]=4 493 B3R0.2 O=[V](=O)[O-] HR134809 [2,0,0,0,0,0|1,0,1]=4 494 B3R0.2 O=[W](=O)=O HR134018 [2,0,0,0,0,0|1,0,1]=4 495 B3R0.2 O=[W](=O)=O HR145409 [2,0,0,0,0,0|1,0,1]=4 496 B5R0.1 C#CCC(=O)O HR107056 [1,1,0,0,0,0|0,0,2]=4 497 B5R0.1 C=C(C)CCO HR139358 [1,1,0,0,0,0|1,0,1]=4 498 B5R0.1 C=C(C)\C=C\[AlH3] HR142674 [1,1,0,0,0,0|2,0,0]=4 499 B5R0.1 C=CCC(=O)O HR124911 [1,1,0,0,0,0|0,0,1]=3 500 B5R0.1 C=CNC(C)=O HR112565 [1,1,0,0,0,0|1,0,0]=3 501 B5R0.1 CC#CC(=O)O HR16226 [1,1,0,0,0,0|0,0,1]=3 502 B5R0.1 CC(=O)CCCl HR106274 [1,1,0,0,0,0|1,0,1]=4 503 B5R0.1 CC(=O)CCO HR131203 [1,1,0,0,0,0|0,0,1]=3 504 B5R0.1 CC(=O)NCO HR105862 [1,1,0,0,0,0|0,0,1]=3 505 B5R0.1 CC(=O)OC=O HR100841 [1,1,0,0,0,0|0,0,0]=2 506 B5R0.1 CC(=O)OCBr HR127457 [1,1,0,0,0,0|1,0,1]=4 507 B5R0.1 CC(=O)OCCl HR101207 [1,1,0,0,0,0|1,0,1]=4 508 B5R0.1 CC(=O)\C=N\O HR126710 [1,1,0,0,0,0|0,0,0]=2 509 B5R0.1 CC(C)=CC=O HR138342 [1,1,0,0,0,0|1,0,0]=3 510 B5R0.1 CC(C)=CCBr HR133883 [1,1,0,0,0,0|2,0,0]=4 511 B5R0.1 CC(C)=CCCl HR127820 [1,1,0,0,0,0|2,0,0]=4 512 B5R0.1 CC(C)=CCN HR114772 [1,1,0,0,0,0|2,0,0]=4 513 B5R0.1 CC(C)=CCO HR138609 [1,1,0,0,0,0|1,0,0]=3 514 B5R0.1 CC(C)=CCS HR143870 [1,1,0,0,0,0|1,1,0]=4 515 B5R0.1 CC(C)=C[Mg]Br HR109568 [1,1,0,0,0,0|2,0,0]=4 516 B5R0.1 CC(C)=C[SiH2]Cl HR107199 [1,1,0,0,0,0|2,0,0]=4 517 B5R0.1 CCCC(=O)Cl HR147587 [1,1,0,0,0,0|1,0,1]=4 518 B5R0.1 CCCC(=O)[O-] HR129884 [1,1,0,0,0,0|0,0,2]=4 519 B5R0.1 CCCC(=O)[O-] HR137474 [1,1,0,0,0,0|0,0,2]=4 520 B5R0.1 CCCC(N)=O HR137715 [1,1,0,0,0,0|1,0,1]=4 521 B5R0.1 CCNC(C)=O HR100775 [1,1,0,0,0,0|1,0,1]=4 522 B5R0.1 CCNC(N)=O HR126748 [1,1,0,0,0,0|1,0,1]=4 523 B5R0.1 CCOC(=O)Cl IVSA07702 [1,1,0,0,0,0|1,0,1]=4 524 B5R0.1 CCOC(N)=O HR123919 [1,1,0,0,0,0|1,0,1]=4 525 B5R0.1 CCSC(C)=O HR138399 [1,1,0,0,0,0|1,0,1]=4 526 B5R0.1 CNCC(=O)O HR132326 [1,1,0,0,0,0|0,0,1]=3 527 B5R0.1 CNCC(=O)[O-] HR133335 [1,1,0,0,0,0|0,0,2]=4 528 B5R0.1 COCC(=O)Cl HR138385 [1,1,0,0,0,0|1,0,1]=4 529 B5R0.1 COCC(=O)O HR137614 [1,1,0,0,0,0|0,0,1]=3 530 B5R0.1 COCC(C)=O HR124731 [1,1,0,0,0,0|0,0,1]=3 531 B5R0.1 CSCC(C)=O HR104929 [1,1,0,0,0,0|0,1,1]=4 532 B5R0.1 CSCC(N)=O HR105921 [1,1,0,0,0,0|1,0,1]=4 533 B5R0.1 C\C(N)=C/C#N HR126883 [1,1,0,0,0,0|2,0,0]=4 534 B5R0.1 C\C=C\B(O)O HR109070 [1,1,0,0,0,0|1,0,1]=4 535 B5R0.1 C\C=C\C(=O)Cl HR100850 [1,1,0,0,0,0|1,0,0]=3 536 B5R0.1 C\C=C\C(=O)Cl HR133043 [1,1,0,0,0,0|1,0,0]=3 537 B5R0.1 N#CCC(=O)O HR146964 [1,1,0,0,0,0|0,0,2]=4 538 B5R0.1 NC(=O)CCO HR101159 [1,1,0,0,0,0|1,0,1]=4 539 B5R0.1 NC(=O)NCO HR121643 [1,1,0,0,0,0|1,0,1]=4 540 B5R0.1 NCCC(=O)O HR120135 [1,1,0,0,0,0|0,0,1]=3 541 B5R0.1 NCCC(=O)O HR136538 [1,1,0,0,0,0|0,0,1]=3 542 B5R0.1 NCCC(N)=O HR123050 [1,1,0,0,0,0|1,0,1]=4 543 B5R0.1 NOCC(=O)O HR107090 [1,1,0,0,0,0|0,0,2]=4 544 B5R0.1 O=C(Cl)CCBr HR132550 [1,1,0,0,0,0|1,0,1]=4 545 B5R0.1 O=C(Cl)CCCl HR125686 [1,1,0,0,0,0|1,0,1]=4 546 B5R0.1 O=C(O)CCBr HR146768 [1,1,0,0,0,0|0,0,1]=3 547 B5R0.1 O=C(O)CCI HR118002 [1,1,0,0,0,0|0,0,1]=3 548 B5R0.1 O=C(O)CCO HR12598 [1,1,0,0,0,0|0,0,1]=3 549 B5R0.1 O=C(O)CCS BACQ02107 [1,1,0,0,0,0|0,0,1]=3 550 B5R0.1 O=C(O)\C=C\I HR145754 [1,1,0,0,0,0|0,0,1]=3 551 B5R0.3 C#CC(=O)OC HR133415 [1,1,0,0,0,0|0,0,2]=4 552 B5R0.3 C=C(C=O)CC HR137788 [1,1,0,0,0,0|1,0,0]=3 553 B5R0.3 C=C(CO)CO HR129279 [1,1,0,0,0,0|1,0,1]=4 554 B5R0.3 C=CC(=O)CBr HR146340 [1,1,0,0,0,0|1,0,0]=3 555 B5R0.3 C=CC(=O)CBr HR146362 [1,1,0,0,0,0|1,0,0]=3 556 B5R0.3 C=CC(=O)OC LECQ00902 [1,1,0,0,0,0|0,0,1]=3 557 B5R0.3 CCC(=N)NO HR117947 [1,1,0,0,0,0|1,0,1]=4 558 B5R0.3 CCC(=O)CBr HR101618 [1,1,0,0,0,0|1,0,1]=4 559 B5R0.3 CCC(=O)NC HR138361 [1,1,0,0,0,0|1,0,1]=4 560 B5R0.3 CCC(=S)OC HR134757 [1,1,0,0,0,0|0,1,1]=4 561 B5R0.3 CCC(C)C=O HR108130 [1,1,0,0,0,0|1,0,1]=4 562 B5R0.3 CNC(=O)CBr HR108109 [1,1,0,0,0,0|1,0,1]=4 563 B5R0.3 CNC(=O)NC HR124408 [1,1,0,0,0,0|2,0,0]=4 564 B5R0.3 COC(=N)OC HR100139 [1,1,0,0,0,0|2,0,0]=4 565 B5R0.3 COC(=O)C=O HR131069 [1,1,0,0,0,0|0,0,0]=2 566 B5R0.3 COC(=O)CBr HR147010 [1,1,0,0,0,0|1,0,1]=4 567 B5R0.3 COC(=O)CCl HR147665 [1,1,0,0,0,0|1,0,1]=4 568 B5R0.3 COC(=O)CF HR147087 [1,1,0,0,0,0|1,0,1]=4 569 B5R0.3 COC(=O)CN VAJB00904 [1,1,0,0,0,0|1,0,1]=4 570 B5R0.3 COC(=O)CO HR136159 [1,1,0,0,0,0|0,0,1]=3 571 B5R0.3 COC(=O)CS HR136418 [1,1,0,0,0,0|0,1,1]=4 572 B5R0.3 COC(=O)NN HR17404 [1,1,0,0,0,0|2,0,0]=4 573 B5R0.3 COS(=O)OC HR128367 [1,1,0,0,0,0|2,0,0]=4 574 B5R0.3 CO[PH](=O)OC HR135600 [1,1,0,0,0,0|2,0,0]=4 575 B5R0.3 CS\C(C)=N\O HR131867 [1,1,0,0,0,0|1,1,0]=4 576 B5R0.3 C\C=C(\C)C=O HR112466 [1,1,0,0,0,0|1,0,0]=3 577 B5R0.3 C\C=C(\C)C=O HR139746 [1,1,0,0,0,0|1,0,0]=3 578 B5R0.3 C\C=C(\C)[Mg]Br HR118108 [1,1,0,0,0,0|2,0,0]=4 579 B5R0.3 N\C=C(/Cl)C=O HR110752 [1,1,0,0,0,0|1,0,1]=4 580 B5R0.3 O=C(CBr)CBr HR100914 [1,1,0,0,0,0|1,0,1]=4 581 B5R0.3 O=C(CCl)CCl HR147139 [1,1,0,0,0,0|1,0,1]=4 582 B5R0.3 O=C(CO)CO HR136414 [1,1,0,0,0,0|0,0,1]=3 583 B5R0.3 O=CC(Br)C=O HR122485 [1,1,0,0,0,0|1,0,1]=4 584 B5R0.3 O=CC(Br)CBr HR127791 [1,1,0,0,0,0|1,0,1]=4 585 B5R0.3 O=CC(O)CO HR110417 [1,1,0,0,0,0|0,0,2]=4 586 B5R0.3 O=CC(O)CO HR6339 [1,1,0,0,0,0|0,0,2]=4 587 B5R0.3 O=CN([Na])C=O HR113521 [1,1,0,0,0,0|2,0,0]=4 588 B5R0.4 C=CP(=O)(O)O HR145223 [1,1,0,0,0,0|1,0,1]=4 589 B5R0.4 C=CS(C)(=O)=O HR125454 [1,1,0,0,0,0|2,0,0]=4 590 B5R0.4 CC(C)(C)C=O HR1910 [1,1,0,0,0,0|1,0,1]=4 591 B5R0.4 CCS(=O)(=O)O HR132580 [1,1,0,0,0,0|1,0,1]=4 592 B7R0.2 CC(=O)NC(=O)CN HR100710 [0,1,0,0,0,1|1,0,0]=3 593 B7R0.2 CC(=O)\C=C(\C)O[Ir] HR109248 [0,1,0,0,0,1|1,0,0]=3 594 B7R0.2 CC(=O)\C=C(\C)O[Rh] HR123460 [0,1,0,0,0,1|1,0,0]=3 595 B7R0.2 CC(=O)\C=C(\C)O[Rh] HR126751 [0,1,0,0,0,1|1,0,0]=3 596 B7R0.2 CC(C)OC(=O)CO HR105901 [0,1,0,0,0,1|1,0,1]=4 597 B7R0.2 CCC(=O)CC(C)=O HR133940 [0,1,0,0,0,1|1,0,0]=3 598 B7R0.2 CCC(C)CC(=O)O HR11273 [0,1,0,0,0,1|1,0,1]=4 599 B7R0.2 CCC(C)CC(=O)O HR135865 [0,1,0,0,0,1|1,0,1]=4 600 B7R0.2 CCC(N)CC(=O)O HR114631 [0,1,0,0,0,1|1,0,1]=4 601 B7R0.2 CCC(N)CC(=O)O HR143295 [0,1,0,0,0,1|1,0,1]=4 602 B7R0.2 CCC(N)CC(=O)O HR147022 [0,1,0,0,0,1|1,0,1]=4 603 B7R0.2 CNC(=O)CC(C)=O HR100837 [0,1,0,0,0,1|1,0,0]=3 604 B7R0.2 CNC(=O)NC(=O)[O-] HR129298 [0,1,0,0,0,1|0,0,1]=3 605 B7R0.2 COC(=O)C=C(C)C HR125078 [0,1,0,0,0,1|1,0,0]=3 606 B7R0.2 COC(=O)CC(C)=O TECQ03701 [0,1,0,0,0,1|0,0,0]=2 607 B7R0.2 COC(=O)CC(C)N HR119861 [0,1,0,0,0,1|1,0,1]=4 608 B7R0.2 COC(=O)CC(C)N HR143484 [0,1,0,0,0,1|1,0,1]=4 609 B7R0.2 COC(=O)CC(C)O HR138815 [0,1,0,0,0,1|0,0,2]=4 610 B7R0.2 COC(=O)CC(N)=O HR118636 [0,1,0,0,0,1|1,0,0]=3 611 B7R0.2 COC(=O)\C=C(/C)N HR138334 [0,1,0,0,0,1|1,0,0]=3 612 B7R0.2 NCC(O)CC(=O)O HR137304 [0,1,0,0,0,1|0,0,2]=4 613 B7R0.9 CC(=O)OP(=O)(O)O HR101825 [0,1,0,0,0,1|1,0,0]=3 614 B7R0.9 CC(C)(C)CC(=O)O HR132975 [0,1,0,0,0,1|1,0,1]=4 615 B7R0.9 CC(C)(N)CC(=O)O HR107222 [0,1,0,0,0,1|1,0,1]=4 616 B7R0.9 CC(C)(N)CC(=O)O HR148652 [0,1,0,0,0,1|1,0,1]=4 617 B7R0.9 CC(C)(O)CC(=O)O HR136960 [0,1,0,0,0,1|0,0,2]=4 618 B7R0.9 C[N+](C)(C)CC(=O)O HR130542 [0,1,0,0,0,1|2,0,0]=4 619 B7R0.9 C[Si](C)(C)CC(=O)O HR108462 [0,1,0,0,0,1|1,1,0]=4 620 B7R0.9 O=C([O-])CS(=O)(=O)O HR100724 [0,1,0,0,0,1|2,0,0]=4 621 B7R0.16 CC(=O)C(C)C(C)=O HR142176 [0,1,0,0,0,1|1,0,0]=3 622 B7R0.16 CC(=O)C(Cl)C(C)=O HR147348 [0,1,0,0,0,1|1,0,0]=3 623 B7R0.16 CC(Br)C(Br)C(=O)O HR127665 [0,1,0,0,0,1|1,0,1]=4 624 B7R0.16 CC(C(=O)Cl)C(=O)Cl HR101155 [0,1,0,0,0,1|2,0,0]=4 625 B7R0.16 CC(C(N)=O)C(N)=O HR106837 [0,1,0,0,0,1|2,0,0]=4 626 B7R0.16 CC(C)C(=O)C(=O)O HR136485 [0,1,0,0,0,1|1,0,1]=4 627 B7R0.16 CC(C)C(Br)C(=O)O HR115414 [0,1,0,0,0,1|1,0,1]=4 628 B7R0.16 CC(C)C(Br)C(=O)O HR124122 [0,1,0,0,0,1|1,0,1]=4 629 B7R0.16 CC(C)C(Br)C(=O)O HR137032 [0,1,0,0,0,1|1,0,1]=4 630 B7R0.16 CC(C)C(Cl)C(=O)O HR103881 [0,1,0,0,0,1|1,0,1]=4 631 B7R0.16 CC(C)C(F)C(=O)O HR116661 [0,1,0,0,0,1|1,0,1]=4 632 B7R0.16 CC(C)C(N)C(=O)O HR126445 [0,1,0,0,0,1|1,0,1]=4 633 B7R0.16 CC(C)C(N)C(=O)O HR130729 [0,1,0,0,0,1|1,0,1]=4 634 B7R0.16 CC(C)C(N)C(=O)O HR134362 [0,1,0,0,0,1|1,0,1]=4 635 B7R0.16 CC(C)C(N)C(=O)O HR141699 [0,1,0,0,0,1|1,0,1]=4 636 B7R0.16 CC(C)C(O)C(=O)O HR124143 [0,1,0,0,0,1|1,0,1]=4 637 B7R0.16 CC(O)C(N)C(=O)O HR126335 [0,1,0,0,0,1|0,0,2]=4 638 B7R0.16 CC(O)C(N)C(=O)O HR128851 [0,1,0,0,0,1|0,0,2]=4 639 B7R0.16 CC(O)C(N)C(=O)O HR129391 [0,1,0,0,0,1|0,0,2]=4 640 B7R0.16 CC(O)C(N)C(=O)O HR129491 [0,1,0,0,0,1|0,0,2]=4 641 B7R0.16 CC(O)C(N)C(=O)O HR135216 [0,1,0,0,0,1|0,0,2]=4 642 B7R0.16 CC(O)C(N)C(=O)O HR138779 [0,1,0,0,0,1|0,0,2]=4 643 B7R0.16 CN(C)C(=O)C(=O)O HR118982 [0,1,0,0,0,1|2,0,0]=4 644 B7R0.16 NC(=O)C(N)C(N)=O BRSA08323 [0,1,0,0,0,1|2,0,0]=4 645 B7R0.16 NC(=O)C(N)C(N)=O HR148596 [0,1,0,0,0,1|2,0,0]=4 646 B7R0.16 NC(C(=O)O)C(=O)O HR133757 [0,1,0,0,0,1|1,0,0]=3 647 B7R0.16 O=C(O)C(=O)C(=O)O HR145722 [0,1,0,0,0,1|1,0,0]=3 648 B7R0.16 O=C(O)C(O)C(=O)O HR2066 [0,1,0,0,0,1|1,0,0]=3 649 B7R0.5 C#CCC(N)C(=O)O HR133685 [0,2,0,0,0,0|1,0,1]=4 650 B7R0.5 C#CCC(N)C(=O)O HR135675 [0,2,0,0,0,0|1,0,1]=4 651 B7R0.5 C#CCC(N)C(=O)O HR135939 [0,2,0,0,0,0|1,0,1]=4 652 B7R0.5 C=C(C)C(=O)NCO HR114687 [0,2,0,0,0,0|1,0,0]=3 653 B7R0.5 C=CCC(C)C(=O)O HR143156 [0,2,0,0,0,0|1,0,1]=4 654 B7R0.5 C=CCC(N)C(=O)O HR106860 [0,2,0,0,0,0|1,0,1]=4 655 B7R0.5 C=CCC(N)C(=O)O HR119232 [0,2,0,0,0,0|1,0,1]=4 656 B7R0.5 C=CCC(N)C(=O)O HR134381 [0,2,0,0,0,0|1,0,1]=4 657 B7R0.5 C=CCC(N)C(=O)O HR136466 [0,2,0,0,0,0|1,0,1]=4 658 B7R0.5 C=CCC(N)C(=O)O HR138518 [0,2,0,0,0,0|1,0,1]=4 659 B7R0.5 CC(C)C(=O)OCCl HR116048 [0,2,0,0,0,0|1,0,1]=4 660 B7R0.5 CCCC(=O)C(=O)O HR138596 [0,2,0,0,0,0|0,0,0]=2 661 B7R0.5 CCCC(=O)C(C)=O HR139186 [0,2,0,0,0,0|1,0,0]=3 662 B7R0.5 CCCC(Br)C(=O)O HR114924 [0,2,0,0,0,0|1,0,1]=4 663 B7R0.5 CCCC(C)C(=O)O HR131664 [0,2,0,0,0,0|1,0,1]=4 664 B7R0.5 CCCC(N)C(=O)O HR122649 [0,2,0,0,0,0|1,0,1]=4 665 B7R0.5 CCCC(N)C(=O)O HR136723 [0,2,0,0,0,0|1,0,1]=4 666 B7R0.5 CCCC(N)C(=O)O HR138486 [0,2,0,0,0,0|1,0,1]=4 667 B7R0.5 CCOC(=O)C(=O)Cl HR138954 [0,2,0,0,0,0|1,0,0]=3 668 B7R0.5 CCOC(=O)C(C)=O HR135005 [0,2,0,0,0,0|0,0,0]=2 669 B7R0.5 CCOC(=O)C(C)Br HR123330 [0,2,0,0,0,0|1,0,1]=4 670 B7R0.5 CCOC(=O)C(C)C BEJL02302 [0,2,0,0,0,0|1,0,1]=4 671 B7R0.5 CCOC(=O)C(C)F HR137458 [0,2,0,0,0,0|1,0,1]=4 672 B7R0.5 CCOC(=O)C(C)N HR113453 [0,2,0,0,0,0|1,0,1]=4 673 B7R0.5 CCOC(=O)C(C)N HR123317 [0,2,0,0,0,0|1,0,1]=4 674 B7R0.5 CCOC(=O)C(C)N HR129365 [0,2,0,0,0,0|1,0,1]=4 675 B7R0.5 CCOC(=O)C(C)O HR100136 [0,2,0,0,0,0|0,0,2]=4 676 B7R0.5 CCOC(=O)C(C)O HR15558 [0,2,0,0,0,0|0,0,2]=4 677 B7R0.5 CCOC(=O)C(C)S HR126591 [0,2,0,0,0,0|0,1,1]=4 678 B7R0.5 CCOC(=S)C(N)=O HR125905 [0,2,0,0,0,0|1,1,0]=4 679 B7R0.5 CC\C=C(\C)C(=O)O HR131305 [0,2,0,0,0,0|1,0,0]=3 680 B7R0.5 CC\C=C(\C)C(=O)O HR138938 [0,2,0,0,0,0|1,0,0]=3 681 B7R0.5 CNCC(N)C(=O)O HR146211 [0,2,0,0,0,0|1,0,1]=4 682 B7R0.5 COCC(N)C(=O)O HR108882 [0,2,0,0,0,0|1,0,1]=4 683 B7R0.5 COCC(N)C(=O)O HR109701 [0,2,0,0,0,0|1,0,1]=4 684 B7R0.5 COCC(N)C(=O)O HR110015 [0,2,0,0,0,0|1,0,1]=4 685 B7R0.5 COCC(N)C(=O)O HR115078 [0,2,0,0,0,0|1,0,1]=4 686 B7R0.5 COCC(N)C(=O)O HR115700 [0,2,0,0,0,0|1,0,1]=4 687 B7R0.5 CSCC(N)C(=O)O HR134174 [0,2,0,0,0,0|1,0,1]=4 688 B7R0.5 NC(CCBr)C(=O)O HR102483 [0,2,0,0,0,0|1,0,1]=4 689 B7R0.5 NC(CCO)C(=O)O HR122160 [0,2,0,0,0,0|1,0,1]=4 690 B7R0.5 NC(CCO)C(=O)O HR127129 [0,2,0,0,0,0|1,0,1]=4 691 B7R0.5 NC(CCO)C(=O)O HR129910 [0,2,0,0,0,0|1,0,1]=4 692 B7R0.5 NC(CCS)C(=O)O HR100636 [0,2,0,0,0,0|1,0,1]=4 693 B7R0.5 NC(CCS)C(=O)O HR137923 [0,2,0,0,0,0|1,0,1]=4 694 B7R0.5 NCCC(N)C(=O)O HR112825 [0,2,0,0,0,0|1,0,1]=4 695 B7R0.5 NCCC(N)C(=O)O HR14752 [0,2,0,0,0,0|1,0,1]=4 696 B7R0.5 O=C(O)C(Br)CCBr HR138979 [0,2,0,0,0,0|1,0,1]=4 697 B7R0.10 C=C(C#N)C(=O)OC HR100211 [0,2,0,0,0,0|1,0,1]=4 698 B7R0.10 C=C(CBr)C(=O)OC HR111903 [0,2,0,0,0,0|1,0,0]=3 699 B7R0.10 C=C(CCl)C(=O)OC HR109145 [0,2,0,0,0,0|1,0,0]=3 700 B7R0.10 C=C(CO)C(=O)OC HR105042 [0,2,0,0,0,0|1,0,0]=3 701 B7R0.10 CC(=N/O)\C(C)=N\O HR131386 [0,2,0,0,0,0|1,0,1]=4 702 B7R0.10 CC(=N/O)\C(C)=N\O HR133474 [0,2,0,0,0,0|1,0,1]=4 703 B7R0.10 CCC(=O)C(=O)CC HR122518 [0,2,0,0,0,0|1,0,0]=3 704 B7R0.10 CCC(Br)C(=O)OC HR123363 [0,2,0,0,0,0|1,0,1]=4 705 B7R0.10 CCC(C)C(=O)OC HR133876 [0,2,0,0,0,0|1,0,1]=4 706 B7R0.10 CCC(C)C(=O)OC HR143721 [0,2,0,0,0,0|1,0,1]=4 707 B7R0.10 CCC(O)C(=O)OC HR144357 [0,2,0,0,0,0|0,0,2]=4 708 B7R0.10 COC(=O)C(=O)CBr HR122614 [0,2,0,0,0,0|0,0,0]=2 709 B7R0.10 COC(=O)C(=O)OC HR147608 [0,2,0,0,0,0|0,0,0]=2 710 B7R0.10 COC(=O)C(Br)CBr HR132839 [0,2,0,0,0,0|1,0,1]=4 711 B7R0.10 COC(=O)C(C)CO HR144262 [0,2,0,0,0,0|0,0,2]=4 712 B7R0.10 COC(=O)C(Cl)CCl HR130110 [0,2,0,0,0,0|1,0,1]=4 713 B7R0.10 COC(=O)C(N)CCl HR117490 [0,2,0,0,0,0|1,0,1]=4 714 B7R0.10 COC(=O)C(N)CO HR126639 [0,2,0,0,0,0|1,0,1]=4 715 B7R0.10 COC(=O)C(N)CO HR134950 [0,2,0,0,0,0|1,0,1]=4 716 B7R0.10 COC(=O)C(N)CO HR136274 [0,2,0,0,0,0|1,0,1]=4 717 B7R0.10 COC(=O)C(N)CO HR146542 [0,2,0,0,0,0|1,0,1]=4 718 B7R0.10 COC(=O)C(N)CS HR136576 [0,2,0,0,0,0|1,0,1]=4 719 B7R0.10 COC(=O)C(O)CO HR119304 [0,2,0,0,0,0|0,0,2]=4 720 B7R0.10 COC(=O)C(O)OC HR135004 [0,2,0,0,0,0|0,0,2]=4 721 B7R0.10 COC(=O)N(C)OC HR148866 [0,2,0,0,0,0|1,0,1]=4 722 B7R0.10 CON(C)C(=O)CCl HR107841 [0,2,0,0,0,0|2,0,0]=4 723 B7R0.10 C\C=C(/C)C(=O)OC HR129001 [0,2,0,0,0,0|1,0,0]=3 724 B7R0.10 NNC(=O)C(=O)NN HR131100 [0,2,0,0,0,0|2,0,0]=4 725 B7R0.10 O=C(CO)C(O)CO HR100190 [0,2,0,0,0,0|0,0,2]=4 726 B7R0.10 OC\C(Br)=C(/Br)CO HR126909 [0,2,0,0,0,0|2,0,0]=4 727 B7R0.13 C#CC(C)(C)C(=O)O HR115026 [0,2,0,0,0,0|1,0,1]=4 728 B7R0.13 CC(Br)(CBr)C(=O)O HR116031 [0,2,0,0,0,0|1,0,1]=4 729 B7R0.13 CC(C)(CO)C(=O)O HR140236 [0,2,0,0,0,0|0,0,2]=4 730 B7R0.13 CC(C)(O[NH3+])C(=O)O HR123732 [0,2,0,0,0,0|0,0,2]=4 731 B7R0.13 CC(N)(CO)C(=O)O HR130651 [0,2,0,0,0,0|0,0,2]=4 732 B7R0.13 CC(O)(CBr)C(=O)O HR104334 [0,2,0,0,0,0|0,0,2]=4 733 B7R0.13 CCC(C)(C)C(=O)O HR124650 [0,2,0,0,0,0|1,0,1]=4 734 B7R0.13 CCC(C)(N)C(=O)O HR143390 [0,2,0,0,0,0|1,0,1]=4 735 B7R0.13 CCC(C)(O)C(=O)O HR124635 [0,2,0,0,0,0|0,0,2]=4 736 B7R0.13 NCC(F)(F)C(=O)O HR151254 [0,2,0,0,0,0|1,0,1]=4 737 B7R0.14 COC(=O)C(C)(C)Br HR124478 [0,2,0,0,0,0|1,0,1]=4 738 B7R0.14 COC(=O)C(C)(C)F HR126418 [0,2,0,0,0,0|1,0,1]=4 739 B7R0.14 COC(=O)C(C)(C)N HR16472 [0,2,0,0,0,0|1,0,1]=4 740 B7R0.14 COC(=O)C(C)(C)O HR132026 [0,2,0,0,0,0|0,0,2]=4 741 B7R0.14 COC(=O)C(C)(C)S HR144548 [0,2,0,0,0,0|0,1,1]=4 742 B7R0.15 CCC(CC)C(=O)O HR140709 [0,2,0,0,0,0|1,0,1]=4 743 B7R0.15 CNC(CO)C(=O)O HR112824 [0,2,0,0,0,0|0,0,2]=4 744 B7R0.15 CNC(CS)C(=O)O HR116844 [0,2,0,0,0,0|0,1,1]=4 745 B7R0.15 COC(OC)C(C)=O HR9977 [0,2,0,0,0,0|0,0,2]=4 746 B7R0.15 O=C(O)C(CBr)CBr HR103071 [0,2,0,0,0,0|1,0,1]=4 747 B5R1.2 O=C1CCC1 HR9021 [1,0,0,1,0,0|1,0,1]=4 748 B5R1.2 O=C1CCN1 HR128794 [1,0,0,1,0,0|1,0,1]=4 749 B5R1.2 O=C1CCO1 HR101496 [1,0,0,1,0,0|0,0,1]=3 750 B5R1.2 O=C1CNC1 HR108729 [1,0,0,1,0,0|1,0,1]=4 751 B5R1.2 O=C1CNC1 HR114873 [1,0,0,1,0,0|1,0,1]=4 752 B5R1.2 O=C1COC1 HR111276 [1,0,0,1,0,0|0,0,1]=3 753 B5R1.2 O=C1CSC1 HR105015 [1,0,0,1,0,0|0,1,1]=4 754 B5R1.3 O=CC1CC1 HR134105 [1,0,0,1,0,0|1,0,1]=4 755 B7R1.2 CC1=CC(=O)CC1 HR137516 [0,0,0,1,0,1|2,0,0]=4 756 B7R1.2 CC1=CC(=O)CO1 HR119186 [0,0,0,1,0,1|1,0,0]=3 757 B7R1.2 CC1=CC(=O)NN1 HR133409 [0,0,0,1,0,1|2,0,0]=4 758 B7R1.2 CC1=CC(=O)OC1 HR118210 [0,0,0,1,0,1|1,0,0]=3 759 B7R1.2 CC1=CC(C)=NO1 HR126201 [0,0,0,1,0,1|2,0,0]=4 760 B7R1.2 CC1=CCC(=O)O1 HR136942 [0,0,0,1,0,1|2,0,0]=4 761 B7R1.2 CC1=COC(N)=N1 HR115657 [0,0,0,1,0,1|2,0,0]=4 762 B7R1.2 CC1=NNC(=O)C1 HR133577 [0,0,0,1,0,1|2,0,0]=4 763 B7R1.2 CC1=NNC(=O)O1 HR134101 [0,0,0,1,0,1|2,0,0]=4 764 B7R1.2 CC1=NOC(N)=C1 HR125110 [0,0,0,1,0,1|2,0,0]=4 765 B7R1.2 CC1=NOC(N)=N1 HR118723 [0,0,0,1,0,1|2,0,0]=4 766 B7R1.2 CC1COC(=O)O1 HR125363 [0,0,0,1,0,1|1,0,1]=4 767 B7R1.2 CC1COC(=O)O1 HR128407 [0,0,0,1,0,1|1,0,1]=4 768 B7R1.2 CC1COC(=O)O1 HR129273 [0,0,0,1,0,1|1,0,1]=4 769 B7R1.2 Cc1cc(=O)no1 HR137393 [0,0,0,1,0,1|1,0,1]=4 770 B7R1.2 Cc1coc(C)n1 HR130593 [0,0,0,1,0,1|2,0,0]=4 771 B7R1.2 NC1=NC(=O)CS1 HR101133 [0,0,0,1,0,1|1,1,0]=4 772 B7R1.2 NC1COC(=O)C1 HR14757 [0,0,0,1,0,1|1,0,1]=4 773 B7R1.2 NC1COC(=O)C1 HR14758 [0,0,0,1,0,1|1,0,1]=4 774 B7R1.2 O=C1C=C(O)CN1 HR104155 [0,0,0,1,0,1|1,0,1]=4 775 B7R1.2 O=C1C=C(O)CO1 HR100679 [0,0,0,1,0,1|0,0,1]=3 776 B7R1.2 O=C1C=CC(=O)N1 HR130748 [0,0,0,1,0,1|1,0,1]=4 777 B7R1.2 O=C1C=CC(=O)O1 HR146919 [0,0,0,1,0,1|1,0,1]=4 778 B7R1.2 O=C1CC(O)CO1 HR126625 [0,0,0,1,0,1|0,0,2]=4 779 B7R1.2 O=C1CC(O)CO1 HR127054 [0,0,0,1,0,1|0,0,2]=4 780 B7R1.2 O=C1CCC(=O)C1 HR130125 [0,0,0,1,0,1|1,0,0]=3 781 B7R1.2 O=C1CCC(=O)N1 HR135734 [0,0,0,1,0,1|1,0,0]=3 782 B7R1.2 O=C1CCC(=O)O1 HR135468 [0,0,0,1,0,1|1,0,0]=3 783 B7R1.2 O=C1CNC(=O)N1 HR128930 [0,0,0,1,0,1|1,0,0]=3 784 B7R1.2 O=C1COC(=O)C1 HR100364 [0,0,0,1,0,1|0,0,0]=2 785 B7R1.2 O=C1COC(=O)N1 HR103401 [0,0,0,1,0,1|0,0,0]=2 786 B7R1.2 O=C1CSC(=O)N1 HR137564 [0,0,0,1,0,1|0,1,0]=3 787 B7R1.2 O=C1CSC(=S)N1 HR125272 [0,0,0,1,0,1|0,2,0]=4 788 B7R1.2 O=C1OCC(Cl)O1 HR123970 [0,0,0,1,0,1|1,0,1]=4 789 B7R1.2 O=C1OCC(F)O1 HR135652 [0,0,0,1,0,1|1,0,1]=4 790 B7R1.20 O=C(O)CC1CC1 HR136745 [0,0,0,1,0,1|1,0,1]=4 791 B7R1.4 C=C1CCOC1=O HR130328 [0,1,0,1,0,0|1,0,0]=3 792 B7R1.4 CC1=C(C)ON=C1 HR105616 [0,1,0,1,0,0|2,0,0]=4 793 B7R1.4 CC1=C(S)CCO1 HR124755 [0,1,0,1,0,0|1,1,0]=4 794 B7R1.4 CC1=CCCC1=O HR114448 [0,1,0,1,0,0|2,0,0]=4 795 B7R1.4 CC1OCCC1=O HR131028 [0,1,0,1,0,0|1,0,1]=4 796 B7R1.4 CN1CCOC1=O HR132150 [0,1,0,1,0,0|2,0,0]=4 797 B7R1.4 NC1CCOC1=O HR103069 [0,1,0,1,0,0|1,0,1]=4 798 B7R1.4 NC1CCOC1=O HR134625 [0,1,0,1,0,0|1,0,1]=4 799 B7R1.4 NC1CCOC1=O HR137954 [0,1,0,1,0,0|1,0,1]=4 800 B7R1.4 NC1CCOC1=O HR146738 [0,1,0,1,0,0|1,0,1]=4 801 B7R1.4 NC1CONC1=O HR101265 [0,1,0,1,0,0|1,0,1]=4 802 B7R1.4 NC1CONC1=O HR127398 [0,1,0,1,0,0|1,0,1]=4 803 B7R1.4 NC1CONC1=O HR136196 [0,1,0,1,0,0|1,0,1]=4 804 B7R1.4 NN1CCOC1=O HR146108 [0,1,0,1,0,0|2,0,0]=4 805 B7R1.4 O=C1CCC=C1O HR148600 [0,1,0,1,0,0|1,0,0]=3 806 B7R1.4 O=C1NCCC1O HR102172 [0,1,0,1,0,0|1,0,1]=4 807 B7R1.4 O=C1NCCC1O HR113273 [0,1,0,1,0,0|1,0,1]=4 808 B7R1.4 O=C1NCCC1O HR113406 [0,1,0,1,0,0|1,0,1]=4 809 B7R1.4 O=C1NCCC1O HR147016 [0,1,0,1,0,0|1,0,1]=4 810 B7R1.4 O=C1OCC=C1Br HR102966 [0,1,0,1,0,0|1,0,0]=3 811 B7R1.4 O=C1OCCC1Br HR10714 [0,1,0,1,0,0|1,0,1]=4 812 B7R1.4 O=C1O[Cu]OC1=O HR101666 [0,1,0,1,0,0|1,0,0]=3 813 B7R1.4 O=C1O[SnH2]OC1=O HR138079 [0,1,0,1,0,0|1,0,0]=3 814 B7R1.18 O=C(O)C1CCC1 HR136661 [0,1,0,1,0,0|1,0,1]=4 815 B7R1.18 O=C(O)C1CCN1 HR103406 [0,1,0,1,0,0|1,0,1]=4 816 B7R1.18 O=C(O)C1CCN1 HR106573 [0,1,0,1,0,0|1,0,1]=4 817 B7R1.18 O=C(O)C1CCN1 HR118789 [0,1,0,1,0,0|1,0,1]=4 818 B7R1.18 O=C(O)C1CCN1 HR127792 [0,1,0,1,0,0|1,0,1]=4 819 B7R1.18 O=C(O)C1CCN1 HR132187 [0,1,0,1,0,0|1,0,1]=4 820 B7R1.18 O=C(O)C1CCN1 HR138860 [0,1,0,1,0,0|1,0,1]=4 821 B7R1.18 O=C(O)C1CCO1 HR109624 [0,1,0,1,0,0|0,0,2]=4 822 B7R1.18 O=C(O)C1CNC1 SIJL01006 [0,1,0,1,0,0|1,0,1]=4 823 B7R1.18 O=C(O)C1COC1 HR111082 [0,1,0,1,0,0|0,0,2]=4 824 B7R1.19 CC1(C(=O)O)CC1 HR142472 [0,1,0,1,0,0|1,0,1]=4 825 B7R1.19 NC1(C(=O)O)CC1 HR136208 [0,1,0,1,0,0|1,0,1]=4 826 B7R1.19 O=C(O)C1(O)CC1 HR130601 [0,1,0,1,0,0|0,0,2]=4 827 B7R1.22 COC(=O)C1CC1 HR128125 [0,1,0,1,0,0|1,0,1]=4 828 B7R1.22 COC(=O)C1CN1 HR112447 [0,1,0,1,0,0|1,0,1]=4 829 B7R1.22 COC(=O)C1CO1 HR129937 [0,1,0,1,0,0|0,0,2]=4 830 B7R0.6 C=C(C)COC(C)=O HR110682 [0,0,0,0,0,2|2,0,0]=4 831 B7R0.6 CC(=O)CCC(=O)O HR127576 [0,0,0,0,0,2|0,0,0]=2 832 B7R0.6 CC(=O)CCC(=O)[O-] HR143916 [0,0,0,0,0,2|0,0,1]=3 833 B7R0.6 CC(=O)CCC(C)=O HR125376 [0,0,0,0,0,2|1,0,0]=3 834 B7R0.6 CC(=O)CNC(C)=O HR146276 [0,0,0,0,0,2|1,0,0]=3 835 B7R0.6 CC(=O)COC(C)=O HR123551 [0,0,0,0,0,2|1,0,0]=3 836 B7R0.6 CC(=O)NCC(=O)O HR138579 [0,0,0,0,0,2|0,0,0]=2 837 B7R0.6 CC(=O)NNC(C)=O HR131799 [0,0,0,0,0,2|1,0,0]=3 838 B7R0.6 CC(=O)OCC(=O)Cl HR135462 [0,0,0,0,0,2|1,0,0]=3 839 B7R0.6 CC(=O)OCC(=O)O HR120464 [0,0,0,0,0,2|0,0,0]=2 840 B7R0.6 CC(C)=CCC(=O)O HR108591 [0,0,0,0,0,2|1,0,0]=3 841 B7R0.6 CC(C)=NNC(N)=O AZXF00311 [0,0,0,0,0,2|2,0,0]=4 842 B7R0.6 CC(C)CCC(=O)O HR141883 [0,0,0,0,0,2|1,0,1]=4 843 B7R0.6 CN(C)CCC(=O)O HR114553 [0,0,0,0,0,2|2,0,0]=4 844 B7R0.6 CN(C)CCC(=O)O HR147791 [0,0,0,0,0,2|2,0,0]=4 845 B7R0.6 C[S+](C)CCC(=O)O HR107679 [0,0,0,0,0,2|2,0,0]=4 846 B7R0.6 N=C(N)NCC(=O)O HR123411 [0,0,0,0,0,2|2,0,0]=4 847 B7R0.6 N=C(N)SCC(=O)O HR122670 [0,0,0,0,0,2|2,0,0]=4 848 B7R0.6 N=C(N)SCC(=O)O HR134877 [0,0,0,0,0,2|2,0,0]=4 849 B7R0.6 NC(=O)C#CC(N)=O HR100095 [0,0,0,0,0,2|2,0,0]=4 850 B7R0.6 NC(=O)NNC(N)=O HR101767 [0,0,0,0,0,2|2,0,0]=4 851 B7R0.6 NC(=O)NNC(N)=O HR124898 [0,0,0,0,0,2|2,0,0]=4 852 B7R0.6 NC(=O)\C=C\C(=O)O HR128108 [0,0,0,0,0,2|1,0,0]=3 853 B7R0.6 NC(=O)\C=C\C(N)=O HR101772 [0,0,0,0,0,2|2,0,0]=4 854 B7R0.6 NC(=O)\N=N\C(N)=O HR147577 [0,0,0,0,0,2|2,0,0]=4 855 B7R0.6 O=C(O)C#CC(=O)O HR129033 [0,0,0,0,0,2|1,0,0]=3 856 B7R0.6 O=C(O)CCC(=O)O HR128111 [0,0,0,0,0,2|1,0,0]=3 857 B7R0.6 O=C(O)CCC(=O)O HR135208 [0,0,0,0,0,2|1,0,0]=3 858 B7R0.6 O=C(O)CC[N+](=O)[O-] HR32205 [0,0,0,0,0,2|2,0,0]=4 859 B7R0.6 O=C(O)\C=C\C(=O)O AVCQ00606 [0,0,0,0,0,2|1,0,0]=3 860 B7R0.6 O=C(O)\C=C\C(=O)O HR130667 [0,0,0,0,0,2|1,0,0]=3 861 B7R0.6 O=C(O)\C=C\C(=O)O HR144505 [0,0,0,0,0,2|1,0,0]=3 862 B7R0.6 O=C([O-])C#CC(=O)O HR129812 [0,0,0,0,0,2|1,0,0]=3 863 B7R0.6 O=C([O-])CCC(=O)[O-] HR137845 [0,0,0,0,0,2|1,0,1]=4 864 B7R0.6 O=C([O-])CCC(=O)[O-] HR138100 [0,0,0,0,0,2|1,0,1]=4 865 B7R0.6 O=C([O-])CCC(=O)[O-] HR138359 [0,0,0,0,0,2|1,0,1]=4 866 B7R0.6 O=C([O-])OOC(=O)[O-] HR147718 [0,0,0,0,0,2|1,0,1]=4 867 B7R0.6 O=C([O-])\C=C\C(=O)O HR126362 [0,0,0,0,0,2|1,0,0]=3 868 B7R0.6 O=C([O-])\C=C\C(=O)O HR126685 [0,0,0,0,0,2|1,0,0]=3 869 B7R0.6 O=C([O-])\C=C\C(=O)O HR136832 [0,0,0,0,0,2|1,0,0]=3 870 B7R0.6 O=C([O-])\C=C\C(=O)[O-] HR100090 [0,0,0,0,0,2|1,0,1]=4 871 B7R0.6 O=C([O-])\C=C\C(=O)[O-] HR101400 [0,0,0,0,0,2|1,0,1]=4 872 B7R0.6 O=C([O-])\C=C\C(=O)[O-] HR108567 [0,0,0,0,0,2|1,0,1]=4 873 B7R0.6 O=C([O-])\C=C\C(=O)[O-] HR141890 [0,0,0,0,0,2|1,0,1]=4