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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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182054 76834041 1 NO5C29H37 AB5C29D37 -209.6 5.36 -9.08 0.0 0
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182055 76834042 1 ClO4C17H23 AB4C17D23 -158.78 2.6 -9.39 -0.18 0
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182056 76834043 1 NO4C30H43 AB4C30D43 -192.4 6.24 -9.1 0.0 0
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182057 76834459 1 NOCl2H21C22 ABC2D21E22 -9.36 2.33 -9.43 -0.39 0
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182058 76834460 1 Cl2N2O2C25H30 A2B2C2D25E30 -52.17 3.08 -9.15 -0.89 0
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182059 76834839 1 Cl2N2O3C25H26 A2B2C3D25E26 -76.68 7.23 -9.79 -0.62 1
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182060 76834840 1 FNCl2O2C17H17 ABC2D2E17F17 -108.76 4.34 0.0 0.0 0
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182061 76834841 1 FNCl2O2H16C17 ABC2D2E16F17 -115.56 4.67 -9.45 -0.64 0
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182062 76834842 1 NCl2O3C27H33 AB2C3D27E33 -143.21 2.32 -9.57 -0.37 0
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182063 76834843 1 NCl2O2C29H35 AB2C2D29E35 -86.77 2.56 -9.53 -0.39 0
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182064 76834844 1 NCl2O2C21H25 AB2C2D21E25 -85.21 1.47 -9.35 -0.32 0
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182065 76834859 1 SO2N4C21H22 AB2C4D21E22 -24.04 5.8 -8.85 -1.22 0
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182066 76835959 1 N2O5C31H32 A2B5C31D32 -122.26 4.9 -8.27 -0.92 0
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182067 76836053 1 FNO3C21H26 ABC3D21E26 -178.18 2.99 -9.61 -0.18 -1
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182068 76836171 1 YC20H35 AB20C35 -24.19 2.43 -5.43 -0.11 0
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182069 76836842 1 SN3O3C17H25 AB3C3D17E25 -139.41 2.37 -9.1 -0.12 1
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182070 76837245 1 S2N8O8C52H57 A2B8C8D52E57 -198.91 10.02 0.0 0.0 0
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182071 76837543 1 BrN4C15H17 AB4C15D17 66.28 2.61 -8.96 -0.64 -3
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182072 76837737 1 KNO2C17H25 ABC2D17E25 36.52 11.77 0.0 0.0 0
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182073 76838334 1 ClNO2C21H22 ABC2D21E22 -46.25 3.32 -9.23 -0.86 0
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182074 76838693 1 N2O3C26H30 A2B3C26D30 -58.99 3.38 -8.32 -0.76 0
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182075 76838694 2 O2N3C16H20 A2B3C16D20 -45.89 6.5 -8.57 -0.86 0
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182076 76839024 1 N2O3C25H26 A2B3C25D26 -27.27 5.88 -8.65 -0.15 0
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182077 76839098 1 O2N6F9C33H35 A2B6C9D33E35 -470.82 10.37 -9.25 -1.21 0
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182078 76839099 1 O4N6F9C29H29 A4B6C9D29E29 -546.48 7.16 -9.28 -1.35 0
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182079 76839100 1 O4N6F9C30H31 A4B6C9D30E31 -543.53 7.98 -9.07 -1.09 1
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182080 76839295 1 VN2F3O3H34C35 AB2C3D3E34F35 -67.58 50.52 -6.18 -3.2 0
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182081 76839363 1 NSiO3C26H33 ABC3D26E33 -149.88 1.07 -8.93 -0.75 0
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182082 76839455 1 YO3N4C17H22 AB3C4D17E22 54.39 12.61 0.0 0.0 0
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182083 76839513 1 O7N28C43H88 A7B28C43D88 -291.43 4.77 -8.96 -0.16 0
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182084 76839617 2 NO2F3C15H16 AB2C3D15E16 -460.3 7.19 -9.22 -0.74 0
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182085 76839618 1 N2O4F6C31H34 A2B4C6D31E34 -468.35 11.95 -9.12 -0.6 0
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182086 76839725 1 F2O2N4C31H36 A2B2C4D31E36 -126.36 2.34 -8.37 -0.54 0
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182087 76839726 1 N2O2F4C27H30 A2B2C4D27E30 -221.06 2.55 -8.99 -0.98 0
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182088 76839767 1 F3N3O4C30H34 A3B3C4D30E34 -265.76 8.8 -9.56 -0.9 0
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182089 76839891 1 NOC16H31 ABC16D31 -75.24 2.81 -8.02 1.15 1
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182090 76839958 1 N2S4H27C32 A2B4C27D32 135.26 2.06 0.0 0.0 1
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182091 76839959 1 N2S2H39C41 A2B2C39D41 129.7 2.53 0.0 0.0 1
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182092 76839960 1 ON2S4C33H33 AB2C4D33E33 76.36 1.85 0.0 0.0 0
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182093 76840196 1 NSO6C26H39 ABC6D26E39 -260.09 5.21 -8.64 -0.65 0
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182094 76840197 1 NSO6C25H37 ABC6D25E37 -255.56 2.48 -8.83 -0.54 0
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182095 76840198 1 SN2O5C23H34 AB2C5D23E34 -207.18 2.76 -8.43 -0.32 -2
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182096 76840243 1 YC8H8 AB8C8 131.72 2.18 0.0 0.0 0
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182097 76840312 1 OC24H40 AB24C40 -84.7 2.14 -9.52 1.1 -1
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182098 76840447 1 IrSN3C12H12 ABC3D12E12 251.3 20.73 -9.24 -5.03 0
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182099 76840706 1 OF3N5H26C30 AB3C5D26E30 -33.58 5.41 -9.05 -0.86 0
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182100 76841200 1 FSN2O2H21C23 ABC2D2E21F23 -31.25 7.23 -8.83 -0.66 0
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182101 76841689 1 ClN6C26H31 AB6C26D31 124.93 4.38 -7.98 -1.7 0
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182102 76841792 1 F5N5H16C20 A5B5C16D20 -119.06 2.03 -8.58 -2.15 0
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182103 76841793 1 OF2N6C28H34 AB2C6D28E34 -8.99 9.4 -7.97 -1.49 0