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MoleculeCat_No Mol_Weight ALogP H_Donors H_Acceptors Index
00150 59.07 -0.141 1 2 1
00160 59.07 -0.833 1 1 2
00164 60.01 -1.194 0 3 3
00040 182.17 2.198 0 2 4
00042 173.39 1.176 1 2 5
00050 170.21 2.237 1 1 6
00058 152.19 2.894 0 0 7
00070 44.05 -0.183 0 1 8
00084 107.13 1.074 1 1 9
00090 129.20 -0.711 3 3 10
00109 118.17 0.777 0 2 11
00120 90.12 7.9e-002 0 2 12
00136 110.15 1.841 0 1 13
00146 112.17 1.585 1 1 14
00180 58.08 -0.778 2 1 15
00187 172.20 -0.212 2 3 16
00188 177.20 0.69 1 2 17
00190 129.11 -0.708 2 3 18
00225 179.17 0.554 2 3 19
00230 179.17 0.554 2 3 20
00240 233.67 0.859 1 3 21
00278 61.08 -1.187 2 2 22
00300 223.27 2.613 1 1 23
00315 89.09 -1.184 2 2 24
00340 151.16 0.682 2 2 25
00344 149.60 1.35 0 2 26
00617 267.09 2.037 0 3 27
00843 111.10 0.214 0 3 28
00846 144.17 0.456 1 3 29
00848 142.15 -0.113 1 3 30
00850 142.15 -0.113 1 3 31
00954 104.15 2.381 0 0 32
00960 122.95 0.48 0 1 33
00980 128.13 -0.157 0 3 34
01740 144.17 0.936 0 3 35
02657 147.43 2.205 0 0 36
00350 151.16 0.682 2 2 37
00370 151.16 0.682 2 2 38
00375 214.30 2.9e-002 2 3 39
00385 205.21 0.726 2 3 40
00400 135.16 0.95 1 1 41
00405 101.10 -1.062 1 2 42
00410 130.14 0.14 0 3 43
00445 192.21 1.375 0 3 44
00450 158.19 0.723 0 3 45
00470 157.21 4.8e-002 0 2 46
00478 101.08 -1.137 0 3 47
00483 158.19 0.983 0 3 48
00485 144.17 0.518 0 3 49
00486 44.01 -0.147 0 2 50
00489 28.05 0.947 0 0 51
00495 100.16 1.573 1 1 52
00496 114.19 1.894 1 1 53
00497 114.19 1.894 1 1 54
00498 114.19 2.029 1 1 55
00500 116.12 -0.208 0 3 56
00501 128.17 1.633 0 2 57
00502 112.17 2.286 0 1 58
00505 115.11 -0.323 0 3 59
00507 75.07 -0.845 2 2 60
00508 103.12 0.411 1 3 61
00509 74.08 -1.325 2 2 62
00520 87.12 0.424 1 2 63
00540 88.11 -0.432 1 2 64
00560 58.08 -0.245 0 1 65
00582 30.07 1.284 0 0 66
00591 85.10 0.168 1 2 67
00652 185.95 0.978 1 2 68
00655 194.23 2.134 1 3 69
00656 108.14 2.048 1 1 70
00660 104.15 1.8e-002 0 2 71
00661 112.10 1.768 1 1 72
00670 126.11 1.027 3 3 73
00672 165.40 0.899 2 2 74
00680 100.12 0.619 0 2 75
00681 134.13 1.348 0 2 76
00682 41.05 4.4e-002 0 1 77
00750 73.09 -0.203 1 2 78
00770 114.14 -0.439 0 2 79
00790 120.15 1.569 0 1 80
00803 116.12 -0.537 0 3 81
00810 129.11 -0.653 1 3 82
00820 132.16 0.238 0 3 83
00824 112.13 0.573 0 2 84
00830 160.21 1.218 0 3 85
00851 155.19 1.352 0 3 86
00853 209.04 0.983 0 3 87
00855 164.59 0.874 0 3 88
00860 118.13 -0.11 0 3 89
00870 186.32 2.279 0 2 90
00871 202.23 1.846 0 2 91
00873 175.18 1.47 0 3 92
00874 203.24 2.248 0 3 93
00877 150.56 0.563 0 3 94
00900 100.12 -0.474 0 2 95
00911 102.14 -1.456 2 2 96
00929 100.16 1.438 1 1 97
00931 112.17 1.864 0 1 98
00932 164.16 1.174 1 3 99
00933 218.66 1.479 0 3 100
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