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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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141013 52801037 1 N4O4C15H18 A4B4C15D18 -85.36 5.18 -9.44 -0.36 0
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141014 52801264 1 FO3N4H21C25 AB3C4D21E25 -48.64 3.42 -8.94 -0.66 1
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141015 52802582 1 SN2O3C17H27 AB2C3D17E27 -104.57 3.71 0.0 0.0 0
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141016 52802583 1 SN2O3C17H26 AB2C3D17E26 -112.1 6.64 -8.76 -0.35 0
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141017 52802793 1 OSN3C20H27 ABC3D20E27 -8.68 3.18 -8.98 -0.08 0
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141018 52802950 1 SO2N3C21H29 AB2C3D21E29 -48.85 4.26 -8.76 0.04 0
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141019 52803119 1 NO4C21H25 AB4C21D25 -148.65 5.08 -8.66 -0.09 0
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141020 52803120 1 ClSN2O4C20H23 ABC2D4E20F23 -125.3 4.74 -9.24 -0.64 0
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141021 52803126 1 BrSN2O4C20H23 ABC2D4E20F23 -110.41 4.8 -9.4 -0.6 0
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141022 52803183 1 ClFN2O6C22H24 ABC2D6E22F24 -268.64 8.18 -8.97 -0.82 0
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141023 52803658 1 Cl2S2O3N4H14C17 A2B2C3D4E14F17 -42.44 3.14 -9.52 -1.76 0
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141024 52804826 1 FSN3O5C20H20 ABC3D5E20F20 -178.33 6.5 -8.63 -1.21 -1
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141025 52804827 1 SO3N5H20C21 AB3C5D20E21 24.37 4.29 0.0 0.0 0
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141026 52805476 1 BrON3C20H24 ABC3D20E24 17.51 6.08 -9.09 -0.15 0
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141027 52805477 1 BrON3C20H24 ABC3D20E24 18.75 5.81 -8.86 -0.21 0
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141028 52805565 1 O3N4C17H22 A3B4C17D22 19.46 5.88 -8.95 -0.64 0
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141029 52805909 1 N3O3C19H33 A3B3C19D33 -157.79 3.32 -9.1 0.34 1
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141030 52806099 1 FSN2O4C21H26 ABC2D4E21F26 -162.0 14.01 0.0 0.0 0
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141031 52806155 1 FO2S2N3C15H18 AB2C2D3E15F18 -60.6 3.26 -9.0 -1.02 1
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141032 52806614 1 OSN6C24H31 ABC6D24E31 62.71 2.15 0.0 0.0 0
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141033 52806615 1 OSN6C24H30 ABC6D24E30 43.02 5.89 -8.68 -0.52 0
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141034 52806670 1 ClN2O3C23H23 AB2C3D23E23 -59.25 6.71 -8.11 -0.32 0
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141035 52806684 1 ClO3N5H18C23 AB3C5D18E23 71.22 2.75 -8.22 -2.05 0
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141036 52807354 1 N2O5H20C21 A2B5C20D21 -153.22 4.27 -8.98 -0.73 0
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141037 52807523 1 OSN2H20C21 ABC2D20E21 37.35 4.21 -9.24 -1.02 0
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141038 52807579 1 ClOSN5H14C19 ABCD5E14F19 88.47 2.71 -9.3 -1.44 0
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141039 52807833 1 FN2O3H21C23 AB2C3D21E23 -100.72 3.16 -9.09 -0.38 0
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141040 52807834 1 ClNO2C11H20 ABC2D11E20 -126.02 3.45 -9.86 0.15 0
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141041 52808130 1 N3O3H25C28 A3B3C25D28 -48.39 7.49 -8.79 -1.0 1
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141042 52808278 1 ON5C24H34 AB5C24D34 14.96 5.64 0.0 0.0 0
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141043 52808528 1 N3O4C24H33 A3B4C24D33 -97.35 5.61 -8.52 -0.91 1
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141044 52808879 1 OSN2C19H31 ABC2D19E31 -43.77 4.85 0.0 0.0 0
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141045 52808880 1 OSN2C19H30 ABC2D19E30 -55.95 4.53 -8.36 -0.38 0
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141046 52809164 1 ClO2N6C23H25 AB2C6D23E25 8.31 8.78 -8.12 -1.13 0
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141047 52809256 2 N2O2C11H17 A2B2C11D17 -162.01 4.41 -8.69 0.0 1
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141048 52809289 1 SO3N5C22H24 AB3C5D22E24 -43.75 8.93 0.0 0.0 0
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141049 52809742 1 O2N3C21H25 A2B3C21D25 -58.12 6.45 -8.19 -0.06 0
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141050 52809988 1 OSN5C19H19 ABC5D19E19 79.55 6.3 -8.35 -0.76 1
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141051 52810084 1 O2N3C22H36 A2B3C22D36 -88.13 7.1 0.0 0.0 0
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141052 52810099 2 N2C9H15 A2B9C15 14.35 3.01 -8.43 0.14 0
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141053 52810419 1 BrFON2H12C16 ABCD2E12F16 16.04 1.67 -9.05 -0.86 0
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141054 52810690 1 FSO2N4H21C22 ABC2D4E21F22 -56.93 6.76 -8.56 -0.66 0
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141055 52811101 1 OSCl2N4H16C21 ABC2D4E16F21 50.96 8.45 -9.06 -1.09 0
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141056 52811102 1 ClFOSN4H16C21 ABCDE4F16G21 10.59 9.13 -9.05 -1.5 0
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141057 52811234 1 ClOSN5H18C19 ABCD5E18F19 61.29 7.69 -9.36 -1.1 0
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141058 52811402 1 BrSO2N3C19H22 ABC2D3E19F22 -49.65 5.4 -8.78 -0.63 0
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141059 52811657 1 ClO2N3C16H18 AB2C3D16E18 -71.58 2.33 -9.05 -0.83 0
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141060 52811658 1 ClO2N3C16H18 AB2C3D16E18 -69.11 1.89 -9.03 -0.86 0
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141061 52811659 2 NOC9H12 ABC9D12 -97.5 6.53 -9.31 0.21 -1
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141062 52811861 1 FSO3N4H18C19 ABC3D4E18F19 -70.35 3.37 0.0 0.0 0
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141063 52811862 1 FSO3N4C19H19 ABC3D4E19F19 -96.82 9.14 -8.61 -0.54 0
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141064 52812018 1 N2O4C21H26 A2B4C21D26 -156.56 4.68 -8.68 -0.49 0
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141065 52812121 1 ClNO5C20H26 ABC5D20E26 -197.12 3.56 -8.6 -0.53 0
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141066 52812520 1 O3N4H14C16 A3B4C14D16 41.23 3.39 -9.16 -1.25 0
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141067 52812617 1 SF2N3O3H13C16 AB2C3D3E13F16 -124.64 6.29 -9.41 -1.52 0
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141068 52812665 1 SO3N4C13H22 AB3C4D13E22 -108.99 4.15 -10.13 -0.34 0
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141069 52813037 1 ON4C20H20 AB4C20D20 55.1 5.02 -9.13 -0.83 0
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141070 52813038 2 ON2C7H11 AB2C7D11 -78.61 5.53 -9.68 0.09 0
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141071 52813053 1 N4O4C21H22 A4B4C21D22 -69.32 5.31 -8.95 -0.22 0
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141072 52813447 1 O4N5C23H23 A4B5C23D23 -11.59 7.11 -9.11 -1.66 0
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141073 52813448 1 SO3N5H17C21 AB3C5D17E21 72.69 7.89 -9.09 -1.63 0
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141074 52813477 1 FSO3N5H16C21 ABC3D5E16F21 21.39 3.43 -9.2 -1.59 0
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141075 52813478 1 O3N7H13C17 A3B7C13D17 110.49 5.07 -9.53 -1.68 0
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141076 52813775 1 N2O4C17H18 A2B4C17D18 -107.09 6.21 -9.44 -1.14 0
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141077 52814176 1 ClSN2O5H21C22 ABC2D5E21F22 -168.05 2.0 -9.22 -1.4 0
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141078 52814215 1 N2S2O4C21H28 A2B2C4D21E28 -177.62 2.34 -8.37 -0.78 0
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141079 52814329 1 BrSN3O3C20H20 ABC3D3E20F20 -38.89 5.08 -9.54 -0.94 1
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141080 52814540 1 BrON5C23H27 ABC5D23E27 92.42 3.43 0.0 0.0 0
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141081 52814578 1 O3N5H23C24 A3B5C23D24 -5.68 6.04 -9.07 -0.83 0
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141082 52815557 1 FOSN2C19H23 ABCD2E19F23 -53.39 4.5 -9.29 -1.26 0
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141083 52815652 1 O4N5C19H23 A4B5C19D23 -52.07 9.73 -9.36 -0.91 1
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141084 52816078 1 ClN2O4C25H34 AB2C4D25E34 -118.77 6.15 0.0 0.0 0
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141085 52816079 1 ClN2O4C25H33 AB2C4D25E33 -139.41 2.57 -8.11 -0.44 1
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141086 52816134 1 N2O5C25H35 A2B5C25D35 -144.12 5.12 0.0 0.0 0
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141087 52816401 1 SN2O3C15H24 AB2C3D15E24 -128.97 4.09 -9.46 -0.77 0
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141088 52816402 1 SN2O3C15H24 AB2C3D15E24 -127.6 6.19 -9.49 -0.82 0
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141089 52816403 1 SN2O4H22C24 AB2C4D22E24 -67.24 3.43 -8.86 -0.82 0
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141090 52816871 1 SN2O3C23H26 AB2C3D23E26 -71.79 4.67 -8.67 -0.27 0
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141091 52816872 1 FO2S2N3H20C22 AB2C2D3E20F22 -53.88 4.41 -8.7 -1.57 0
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141092 52816873 1 S2N3O6C20H21 A2B3C6D20E21 -126.38 5.71 -8.91 -1.98 0
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141093 52816874 1 FSO2N4H21C22 ABC2D4E21F22 -37.96 5.42 -8.64 -1.18 1
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141094 52817186 1 ON6C23H29 AB6C23D29 83.46 7.28 0.0 0.0 0
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141095 52817222 1 ClOS2N5H12C17 ABC2D5E12F17 111.33 4.18 -8.92 -1.49 0
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141096 52817430 1 NO4C18H27 AB4C18D27 -182.41 5.1 -9.14 -0.09 0
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141097 52817441 1 ON7C18H21 AB7C18D21 71.58 4.21 -8.62 -0.44 0
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141098 52817442 1 O3N8C15H16 A3B8C15D16 66.49 12.75 -9.74 -1.06 0
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141099 52817821 1 SF2N2O4C21H24 AB2C2D4E21F24 -229.15 7.96 -9.45 -0.95 0
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141100 52817822 1 F2O3N4H20C22 A2B3C4D20E22 -100.7 7.47 -8.67 -0.7 0
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141101 52818026 1 SN2O3C18H22 AB2C3D18E22 -102.02 2.36 -9.38 -0.9 0
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141102 52818527 1 SN2O3C18H20 AB2C3D18E20 -61.22 6.72 -8.26 -0.5 0
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141103 52818593 1 SF2O2N4H12C15 AB2C2D4E12F15 -62.61 3.36 -8.84 -1.28 0
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141104 52818882 1 SF3N3O3H20C21 AB3C3D3E20F21 -257.05 6.94 -8.68 -0.87 0
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141105 52819223 2 NOC12H14 ABC12D14 -36.73 4.24 -8.62 0.08 0
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141106 52819633 1 SO2N4H24C26 AB2C4D24E26 13.15 6.15 -7.94 -1.21 -1
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141107 52819692 1 SN4O6C22H25 AB4C6D22E25 -110.12 10.65 0.0 0.0 0
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141108 52819774 1 SN3O6C23H35 AB3C6D23E35 -267.79 9.93 -9.49 -0.62 0
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141109 52820028 1 FSN3O3C23H30 ABC3D3E23F30 -147.91 3.0 -8.54 -0.95 0
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141110 52820485 1 BrN2O2C18H21 AB2C2D18E21 -42.17 2.37 -8.98 -0.24 0
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141111 52820609 1 BrO2N3C18H26 AB2C3D18E26 -89.92 5.51 -8.96 -0.35 1
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141112 52820610 1 BrO2N3C18H27 AB2C3D18E27 -75.39 9.54 0.0 0.0 0