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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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406026 135076317 1 ClN2O2H15C17 AB2C2D15E17 23.07 7.8 -9.67 -1.67 0
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406027 135076318 1 NOSiC17H39 ABCD17E39 -160.48 1.76 -8.75 1.36 0
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406028 135076319 1 BrSi2N4O4C29H45 AB2C4D4E29F45 -231.78 1.97 -8.69 -1.08 0
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406029 135076320 1 ClILiOZnC7H7 ABCDEF7G7 -39.13 8.77 -8.27 -1.12 0
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406030 135076321 1 ClNZnH4C7 ABCD4E7 34.34 3.46 -10.29 -1.05 0
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406031 135076322 1 BrZnC6H11 ABC6D11 106.72 9.33 -5.63 -3.21 0
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406032 135076323 1 BrZnC7H13 ABC7D13 44.41 1.19 -9.3 -1.61 -1
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406033 135076324 1 ZnO4C14H19 AB4C14D19 -121.16 10.78 0.0 0.0 0
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406034 135076325 1 IMgNH18C20 ABCD18E20 202.54 9.38 -7.18 -2.14 0
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406035 135076326 1 NOSC9H13 ABCD9E13 -10.24 4.96 -9.13 -0.22 0
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406036 135076327 1 NO2C14H17 AB2C14D17 -37.74 4.31 -9.43 0.3 0
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406037 135076328 1 ClN3H12C14 AB3C12D14 102.18 1.81 -9.19 -0.81 0
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406038 135076329 1 SN2O4H20C24 AB2C4D20E24 -52.65 8.0 -9.21 -1.06 0
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406039 135076330 1 ClNH16C19 ABC16D19 61.47 3.87 -8.35 -0.12 0
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406040 135076331 1 NSO2F6H7C9 ABC2D6E7F9 -366.07 1.58 -10.64 -1.39 0
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406041 135076332 1 IN3O6C26H30 AB3C6D26E30 -93.99 3.0 -8.56 -1.83 0
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406042 135076333 1 NO2H15C16 AB2C15D16 -2.4 2.38 -8.65 -0.15 0
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406043 135076334 1 IN2C18H21 AB2C18D21 110.37 0.59 -8.44 -0.78 0
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406044 135076335 1 IO2Si2C32H49 AB2C2D32E49 -150.64 2.91 -8.91 -1.0 0
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406045 135076336 1 BrNO2C16H20 ABC2D16E20 -86.32 5.27 -8.76 -0.28 0
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406046 135076337 1 BrNOC13H14 ABCD13E14 -16.49 5.24 -8.76 -0.48 0
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406047 135076339 1 SF3O3C23H25 AB3C3D23E25 -242.16 2.16 -9.06 -1.56 0
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406048 135076340 1 BrNO4C14H18 ABC4D14E18 -169.09 1.2 -9.73 -1.03 0
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406049 135076341 2 O2C9H9 A2B9C9 -109.26 3.39 -9.04 -0.43 0
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406050 135076342 1 OSiC14H20 ABC14D20 -40.86 2.29 -9.23 0.38 0
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406051 135076361 1 OCl2C6H10 AB2C6D10 -68.24 2.99 -9.22 0.08 0
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406052 135076363 1 ClF4S4H17C28 AB4C4D17E28 -50.59 1.03 -8.84 -0.95 0
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406053 135076377 1 WO6C27H28 AB6C27D28 52.89 4.78 -7.25 0.0 0
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406054 135076382 2 NC8H10 AB8C10 56.59 0.68 -8.44 0.03 0
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406055 135076384 2 OSC5H8 ABC5D8 -83.06 1.55 -8.5 -0.18 0
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406056 135076401 1 BrZnC9H11 ABC9D11 89.2 1.52 -8.45 -1.72 0
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406057 135076403 1 IZnN2O2H15C18 ABC2D2E15F18 -26.34 5.23 -9.43 -1.55 0
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406058 135076433 2 OC6H8 AB6C8 -48.48 3.85 -9.79 0.32 0
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406059 135076436 1 MoOSC6H6 ABCD6E6 145.66 5.7 -6.5 0.82 0
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406060 135076437 1 BrO6C37H45 AB6C37D45 -195.38 1.26 -8.88 -1.12 0
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406061 135076439 1 OSSnC27H40 ABCD27E40 -7.81 5.03 -8.12 0.08 0
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406062 135076440 1 SSnF3C22H35 ABC3D22E35 -169.56 3.35 -8.42 -0.4 0
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406063 135076441 1 FBr2O3Si4C23H43 AB2C3D4E23F43 -294.45 2.39 -6.94 -1.29 0
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406064 135076442 1 CrNO6H19C24 ABC6D19E24 47.36 1.19 -6.98 -0.23 0
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406065 135076443 1 CrNOC19H19 ABCD19E19 202.55 2.04 -6.93 0.19 0
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406066 135076444 1 NSO2C15H15 ABC2D15E15 -23.7 4.74 -9.53 -0.68 0
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406067 135076445 1 ON2H14C16 AB2C14D16 55.7 7.18 -8.72 -0.94 1
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406068 135076446 1 ON2H15C16 AB2C15D16 43.33 3.79 0.0 0.0 0
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406069 135076447 1 NSO3C15H15 ABC3D15E15 -55.47 4.34 -9.08 -0.63 0
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406070 135076448 1 BrNSO2H14C16 ABCD2E14F16 23.1 3.38 -8.78 -0.52 0
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406071 135076449 1 SCl3C20H33 AB3C20D33 -26.97 3.02 -8.68 -0.9 0
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406072 135076450 1 NSO2C20H23 ABC2D20E23 -3.65 4.43 -8.57 -0.21 0
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406073 135076451 1 SCl3C22H37 AB3C22D37 -36.74 2.88 -8.86 -1.09 0
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406074 135076452 1 BrSCl2C20H33 ABC2D20E33 -13.35 3.28 -8.73 -0.97 0
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406075 135076453 1 BrNSO2H14C16 ABCD2E14F16 20.96 3.69 -9.0 -0.55 0
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406076 135076454 1 CuOC8H14 ABC8D14 13.09 1.67 0.0 0.0 0
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406077 135076455 1 O5C9H14 A5B9C14 -205.62 5.31 -9.79 0.23 0
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406078 135076457 1 ON2H16C18 AB2C16D18 55.13 4.57 -8.55 -1.1 0
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406079 135076458 1 BrNH12C15 ABC12D15 87.37 2.71 -9.1 -0.91 0
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406080 135076459 1 NSO2C17H19 ABC2D17E19 -47.68 3.42 -9.12 -0.28 0
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406081 135076460 1 NSO2C16H17 ABC2D16E17 -35.97 3.31 -9.26 -0.27 0
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406082 135076461 1 BN2O2C15H21 AB2C2D15E21 -100.64 2.44 -8.28 -0.19 0
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406083 135076462 1 NOC13H19 ABC13D19 -8.41 0.56 -8.6 0.18 0
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406085 135076464 1 N3O5H17C19 A3B5C17D19 -37.38 5.08 -9.75 -1.89 0
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406086 135076465 1 BrNOS2H8C12 ABCD2E8F12 96.41 3.67 -8.71 -0.9 0
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406087 135076466 1 BrN2S2H11C13 AB2C2D11E13 124.2 3.46 -8.48 -0.92 0
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406088 135076467 1 SN2O6C13H14 AB2C6D13E14 -138.95 3.83 -10.32 -2.04 0
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406089 135076468 1 NSO7C14H17 ABC7D14E17 -218.38 4.98 -9.97 -1.72 0
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406090 135076469 2 BrNC6H10 ABC6D10 -2.4 3.68 -8.59 -0.11 0
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406091 135076470 1 NSO2C13H15 ABC2D13E15 -19.13 2.35 -8.95 -0.21 0
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406092 135076471 1 BNSiO3C14H22 ABCD3E14F22 -197.11 3.92 -8.63 -0.18 0
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406093 135076472 2 O2C7H9 A2B7C9 -157.15 3.45 -9.18 -0.38 0
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406094 135076473 1 O5C16H20 A5B16C20 -206.42 2.17 -10.22 -1.03 0
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406095 135076474 1 SiO3C10H22 AB3C10D22 -260.42 2.98 -9.55 1.23 0
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406096 135076475 1 SiO5C12H18 AB5C12D18 -284.35 5.93 -9.28 -0.09 0
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406097 135076478 1 OSSiC20H34 ABCD20E34 -103.25 1.55 -8.35 0.05 0
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406098 135076515 1 SO4C22H34 AB4C22D34 -207.06 5.96 -10.18 -0.65 0
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406099 135076517 1 CrSiO2C14H22 ABC2D14E22 36.89 2.8 -6.92 0.39 0
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406100 135076534 1 BrSe4H13C16 AB4C13D16 53.69 1.57 -8.2 -1.1 0
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406101 135076553 1 BrOPN3C19H29 ABCD3E19F29 -91.43 3.75 -8.97 -0.72 0
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406102 135076576 1 NC20H23 AB20C23 65.02 2.39 -9.2 0.07 0
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406103 135076577 1 NOPC21H28 ABCD21E28 -71.09 2.68 -9.08 0.23 0
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406104 135076579 1 ClO4C17H19 AB4C17D19 -139.01 1.74 -9.64 -0.56 0
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406105 135076580 1 FNSO2H14C15 ABCD2E14F15 -75.3 3.6 -9.82 -0.35 0
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406106 135076581 1 FOPN3H27C31 ABCD3E27F31 -12.11 2.39 -8.83 -0.78 0
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406107 135076582 1 O3C17H24 A3B17C24 -109.55 2.26 -9.07 -0.68 0
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406108 135076583 1 NOPC23H24 ABCD23E24 -20.94 2.86 -9.25 0.02 0
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406109 135076584 1 NSO2C16H23 ABC2D16E23 -86.48 4.74 -9.48 -0.13 0
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406110 135076585 1 NSO2C18H27 ABC2D18E27 -90.72 4.76 -9.46 -0.11 0
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406111 135076586 1 OPN3H32C37 ABC3D32E37 57.32 2.67 -8.68 -0.55 0
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406112 135076587 1 NSO3C16H17 ABC3D16E17 -68.47 3.19 -9.22 -0.26 0
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406113 135076588 1 NOPC24H24 ABCD24E24 -23.85 2.64 -9.25 -0.31 0
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406114 135076589 1 OSiC17H20 ABC17D20 -17.97 2.3 -9.3 0.12 0
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406115 135076590 1 SiO3C19H38 AB3C19D38 -234.04 1.17 -8.86 0.59 0
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406116 135076591 1 IZnC6H11 ABC6D11 43.24 0.93 -9.15 -1.73 0
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406117 135076592 1 IZnC7H13 ABC7D13 10.95 2.54 -8.74 -1.48 0
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406118 135076593 1 N3O3C8H11 A3B3C8D11 -29.62 7.5 -8.8 -1.0 0
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406119 135076594 1 NSO5C12H17 ABC5D12E17 -172.78 5.12 -10.05 -0.81 0
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406120 135076595 1 OSiC16H26 ABC16D26 -110.87 0.89 -8.78 0.35 0
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406121 135076596 1 BrO3H17C18 AB3C17D18 -76.91 3.59 -9.74 -0.78 0
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406122 135076597 1 SiO4C17H28 AB4C17D28 -262.78 3.32 -8.74 -0.48 0
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406123 135076598 1 BrSi3O4N5C28H54 AB3C4D5E28F54 -319.3 1.55 -8.79 -0.81 0
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406124 135076599 1 NNaO2C7H8 ABC2D7E8 -109.74 7.22 -9.88 0.24 0
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406125 135076600 2 SO3H5C19F20 AB3C5D19E20 -2125.26 0.91 -9.66 -1.94 0
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406126 135076601 1 ClNS2O6H18C23 ABC2D6E18F23 -167.39 7.72 -8.75 -0.76 0