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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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12016 125978 2 O3C12H17 A3B12C17 -286.51 3.12 -8.92 0.22 0
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12017 125980 1 N2O4C15H22 A2B4C15D22 -86.81 5.57 -8.65 0.06 0
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12018 125981 1 NO2C16H17 AB2C16D17 -54.23 8.05 -8.76 -0.15 0
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12019 125993 1 NO10C26H27 AB10C26D27 -373.6 6.98 -9.52 -1.99 0
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12020 125994 1 N4O5H8C11 A4B5C8D11 -15.32 12.69 -8.47 -3.47 0
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12021 126062 1 BrON2C13H17 ABC2D13E17 -35.41 3.71 -9.3 -0.83 0
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12022 126103 1 OSN2C10H16 ABC2D10E16 -13.17 3.07 -9.09 -0.89 0
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12023 126214 1 INO2H6C10 ABC2D6E10 -5.37 3.06 -9.36 -1.88 0
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12024 126267 1 SO3N5C9H13 AB3C5D9E13 -67.96 10.49 -9.31 -1.0 0
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12025 126376 1 O12C27H28 A12B27C28 -437.55 4.82 -9.52 -2.12 0
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12026 126409 1 O7C30H30 A7B30C30 -292.69 5.62 -9.01 -1.11 0
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12027 126411 1 O2C13H18 A2B13C18 -74.34 3.55 -9.4 -0.49 0
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12028 126428 1 PN2O8C17H27 AB2C8D17E27 -312.47 4.57 -9.93 -1.48 0
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12029 126430 1 ClO3N5C10H12 AB3C5D10E12 -69.31 3.42 -9.0 -0.84 0
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12030 126431 1 FN2O2C6H13 AB2C2D6E13 -146.64 5.84 -9.92 0.67 0
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12031 126437 1 ON4H16C18 AB4C16D18 76.41 2.64 -8.86 -1.14 0
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12032 126446 1 O2C7H14 A2B7C14 -105.66 1.61 -9.85 1.53 0
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12033 126447 1 O3N4C19H20 A3B4C19D20 -58.2 8.22 -9.2 -0.88 0
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12034 126452 1 IP2N4O8C11H23 AB2C4D8E11F23 -476.35 6.06 -8.76 -1.08 0
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12035 126490 1 O7H16C20 A7B16C20 -203.83 5.09 -8.91 -0.54 0
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12036 126554 1 O4C21H32 A4B21C32 -203.82 5.81 -9.95 -0.16 0
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12037 126570 1 BrNOC14H20 ABCD14E20 -62.95 7.02 -9.17 -0.01 0
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12038 126936 1 SO3C24H30 AB3C24D30 -83.44 5.38 -8.83 -0.59 0
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12039 127034 1 OSeC28H50 ABC28D50 -131.66 2.77 -8.18 0.4 0
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12040 127055 1 O7H16C19 A7B16C19 -218.65 3.87 -8.77 -1.24 0
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12041 127300 1 O15C19H34 A15B19C34 -692.84 4.33 -10.4 0.36 0
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12042 127471 1 BrN2O6C11H11 AB2C6D11E11 -119.09 4.59 -10.28 -2.02 0
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12043 127767 1 NO9C14H25 AB9C14D25 -390.89 3.21 -9.57 0.33 0
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12044 127768 1 N4O13C49H60 A4B13C49D60 -436.97 5.55 -8.71 -1.68 0
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12045 127777 1 P3N6C10O14H17 A3B6C10D14E17 -738.26 13.58 -9.39 -0.84 0
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12046 127780 1 NO10C35H49 AB10C35D49 -425.28 4.84 -8.87 -0.37 0
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12047 127781 1 S3N6O7C24H24 A3B6C7D24E24 -126.51 7.18 -8.59 -1.4 0
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12048 127782 1 S3N6O7C24H25 A3B6C7D24E25 -140.11 12.14 0.0 0.0 1
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12049 127784 3 NO2C9H15 AB2C9D15 -293.45 5.62 -9.59 -0.52 0
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12050 128365 1 NNaSH4O5C8 ABCD4E5F8 -195.16 8.06 -9.62 -1.4 0
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12051 128375 1 N4O6C21H22 A4B6C21D22 -112.14 8.84 -9.49 -1.21 0
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12052 128402 2 N2O5C18H23 A2B5C18D23 -346.45 5.63 -8.79 -1.66 0
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12053 128403 1 N2O2H16C17 A2B2C16D17 -3.75 4.79 -9.53 -0.79 0
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12054 128404 1 ClN4O4C14H21 AB4C4D14E21 -201.67 0.65 -9.73 -0.07 0
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12055 128405 2 N2O2C7H10 A2B2C7D10 -158.93 3.37 -9.37 0.36 0
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12056 128407 2 NO3C6H11 AB3C6D11 -222.97 3.85 -10.14 -0.57 0
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12057 128408 1 NO6C33H49 AB6C33D49 -317.3 4.42 -9.26 -0.22 0
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12058 128409 1 NO6C33H49 AB6C33D49 -315.73 7.55 -9.24 -0.24 0
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12059 128410 1 FN3O3H22C23 AB3C3D22E23 -85.48 11.89 -9.05 -1.05 0
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12060 128411 4 OC7H10 AB7C10 -170.42 2.03 -8.65 -0.08 0
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12061 128412 1 NO3C18H19 AB3C18D19 -80.28 4.07 -9.42 -0.16 0
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12062 128413 1 ClOSN4H11C15 ABCD4E11F15 76.99 6.36 -8.84 -1.16 0
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12063 128434 1 NO2H13C14 AB2C13D14 -35.3 2.89 -8.8 -0.69 0
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12064 128648 1 N7O12C31H35 A7B12C31D35 -465.58 14.91 -8.76 -1.19 0
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12065 128686 1 O7N10C17H28 A7B10C17D28 -256.81 8.49 -9.26 -0.84 0
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12066 128733 2 O2C11H15 A2B11C15 -164.89 3.5 -8.96 -0.35 0
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12067 128737 1 F3N5C19H20 A3B5C19D20 -43.43 4.11 -8.56 -0.58 0
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12068 128778 1 FO5N8C19H19 AB5C8D19E19 -173.58 9.04 -9.14 -1.31 0
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12069 128783 2 NOC15H23 ABC15D23 14.97 13.52 -3.36 0.0 2
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12070 129639 4 OC3H4 AB3C4 -168.05 4.95 -10.05 -0.63 0
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12071 129644 1 N3O8C9H11 A3B8C9D11 -248.86 7.2 -10.93 -1.8 0
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12072 129662 1 NO2C5H9 AB2C5D9 -76.35 7.56 -10.0 -0.1 0
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12073 129702 1 ClO4N8C14H15 AB4C8D14E15 -14.59 6.82 -9.06 -0.98 0
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12074 129704 1 SN2O3H10C13 AB2C3D10E13 -56.06 6.35 -9.29 -1.44 0
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12075 129759 1 SeO3C5H8 AB3C5D8 -113.08 2.26 -8.59 -1.3 0
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12076 129760 1 Cl2S2F3N6O12C23H32 A2B2C3D6E12F23G32 -695.51 9.57 0.0 0.0 0
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12077 129768 1 N4O7C17H18 A4B7C17D18 -190.95 2.4 -9.08 -1.24 0
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12078 129777 1 O8N10C39H58 A8B10C39D58 -250.34 11.45 -8.16 -0.7 0
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12079 129778 1 N8O11C36H44 A8B11C36D44 -350.32 14.37 -9.06 -0.81 0
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12080 129779 2 FN2H5C6 AB2C5D6 2.69 6.0 -8.67 -0.92 0
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12081 129780 1 NSnO4C14H17 ABC4D14E17 -95.87 0.66 -9.82 -0.67 0
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12082 129790 1 NO3H11C14 AB3C11D14 -54.84 0.86 -8.8 -1.35 0
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12083 129792 1 ON2C27H32 AB2C27D32 23.69 9.66 -8.26 -1.34 0
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12084 129850 1 SO4C21H30 AB4C21D30 -211.78 10.18 -9.05 -0.94 0
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12085 129870 1 NO2C11H15 AB2C11D15 -59.19 1.66 -8.68 -0.05 0
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12086 129871 1 N13O21C53H87 A13B21C53D87 -941.45 5.41 -9.18 -1.31 0
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12087 129884 1 N3C33H44 A3B33C44 63.56 2.37 0.0 0.0 1
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12088 129916 1 FNO4C9H10 ABC4D9E10 -199.29 2.08 -9.18 -0.54 0
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12089 129923 1 NO3C9H9 AB3C9D9 -13.1 5.3 -10.57 -1.43 0
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12090 129961 1 OSN3C25H34 ABC3D25E34 23.92 1.08 0.0 0.0 1