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MoleculeCat_No Mol_Weight ALogP H_Donors H_Acceptors Index
R105996 254.24 1.038 2 3 71
R106283 268.27 1.739 2 3 73
R108537 280.28 2.211 2 2 76
R110124 291.32 2.023 1 3 88
R110574 279.72 2.234 1 2 95
R113085 297.31 1.222 2 3 118
R114499 291.69 1.454 2 3 120
R115533 285.30 1.976 2 3 124
R116505 271.27 1.275 2 3 126
R127043 252.29 2.985 0 2 129
R127108 211.22 1.571 1 1 134
R127159 211.22 1.801 1 2 135
R127299 265.10 -2.669 0 2 136
R127361 253.25 1.319 0 2 137
R127434 244.24 2.998 0 3 138
R127442 290.11 2.924 1 2 139
R127469 229.23 1.914 1 2 140
R127582 292.13 2.693 1 2 141
R127590 247.31 2.442 1 2 142
R127981 213.23 -1.462 1 3 144
R128058 202.21 2.674 1 2 146
R128074 260.25 2.486 1 3 147
R128082 272.26 2.754 1 3 148
R128090 260.25 2.343 0 3 149
R128104 274.27 2.863 1 3 150
R128112 201.22 2.523 1 1 151
R128198 231.20 2.669 0 3 152
R128201 231.20 2.669 0 3 153
R128228 231.20 2.669 0 3 154
R128279 218.21 2.623 1 3 155
R128295 289.72 3 2 2 156
R128384 217.22 2.143 1 3 157
R129291 179.22 1.28 1 1 178
R129364 195.22 0.236 1 2 179
R130745 299.32 2.766 1 3 198
R130788 271.27 2.166 2 3 199
R131350 280.12 2.689 1 1 207
R149764 216.24 0.766 0 3 219
R151211 258.49 1.136 2 2 231
R163074 234.27 2.095 0 2 327
R164127 206.19 1.329 0 3 343
R179698 201.22 1.248 1 1 423
R228273 258.28 1.779 2 3 470
R228869 230.22 1.256 2 3 478
R229814 232.21 1.728 1 2 489
R247871 126.11 0.76 1 2 590
R254797 187.19 1.125 0 1 612
R262226 141.12 0.458 1 3 669
R264105 261.30 2.114 3 2 685
R264245 248.67 2.187 1 2 688
R264784 248.67 2.187 1 2 697
R264806 256.30 2.717 1 2 698
R264830 254.28 2.33 1 2 701
R264946 220.25 1.589 1 2 704
R265195 185.20 -0.172 3 2 707
R267716 180.20 -0.495 1 2 720
R270040 294.76 2.272 2 2 744
R277630 218.19 -0.425 0 2 799
R277819 216.23 2.596 0 2 802
R284904 195.20 -7.2e-002 1 3 859
R288756 168.19 1.214 0 2 870
R296171 230.29 2.592 0 3 896
R299413 256.32 2.496 1 2 901
R307033 227.26 2.614 0 3 927
R330353 255.19 2.397 1 1 934
R331147 270.28 1.867 1 3 941
R331155 244.25 1.507 1 3 942
R331171 244.25 1.236 2 3 943
R332798 228.25 1.906 1 3 945
R334979 262.69 2.168 1 2 954
R339547 251.28 0.901 3 2 965
R342017 221.64 2.119 1 1 981
R342092 255.27 2.508 1 2 982
R342432 180.16 1.328 1 3 983
R345741 280.12 1.996 1 1 1068
R345792 231.25 1.083 1 2 1069
R354198 270.33 2.571 1 2 1110
R356581 244.25 1.11 2 3 1113
R356956 220.27 0.962 1 2 1116
R359459 265.27 2.138 1 3 1124
R362042 229.23 0.226 1 3 1134
R362069 267.28 1.115 2 2 1135
R362085 254.28 1.737 1 2 1136
R364266 295.29 2.995 1 3 1143
R365440 229.23 0.655 1 3 1150
R367877 258.27 1.361 1 3 1167
R369241 162.15 -2.1e-002 1 2 1180
R369268 258.27 1.09 2 3 1181
R369276 271.31 1.539 1 3 1182
R369284 299.37 2.237 1 3 1183
R369543 215.21 0.801 1 3 1187
R376140 251.26 -0.377 2 3 1228
R387037 229.23 1.194 1 2 1236
R395951 167.25 1.421 1 1 1257
R395978 162.19 1.486 0 1 1258
R396400 231.25 1.776 1 3 1273
R396508 266.32 1.435 2 3 1276
R397466 156.18 9.8e-002 1 2 1298
R397482 127.10 1.098 0 2 1300
R397695 178.18 -5.4e-002 0 2 1309
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