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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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218934 85090200 1 ClSN5O5C24H26 ABC5D5E24F26 -115.34 4.07 -9.32 -1.18 0
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218935 85090202 1 P3N8C10O12H15 A3B8C10D12E15 -590.98 6.13 -9.54 -1.05 0
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218936 85090203 1 N4F5O6H21C22 A4B5C6D21E22 -456.45 6.97 -8.93 -0.58 0
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218937 85090205 2 O5C14H18 A5B14C18 -455.2 4.28 -9.85 -0.47 0
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218938 85090206 1 N2O7C30H32 A2B7C30D32 -187.77 6.64 -8.82 -0.5 0
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218939 85090207 2 OSN3H8C14 ABC3D8E14 179.62 2.12 -9.06 -1.54 0
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218940 85090208 1 SN2O6C28H40 AB2C6D28E40 -280.67 8.42 -9.1 0.27 0
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218941 85090209 1 BrClNSO7H19C20 ABCDE7F19G20 -226.02 3.92 -9.64 -1.04 0
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218942 85090210 2 NO2C16H28 AB2C16D28 -247.38 6.37 -8.7 0.29 0
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218943 85090213 1 N7O10C20H35 A7B10C20D35 -463.63 7.14 -9.4 -0.72 0
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218944 85090215 1 F2N3O4H29C30 A2B3C4D29E30 -174.38 4.88 -8.91 -0.55 0
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218945 85090224 1 N4O6C29H34 A4B6C29D34 -108.21 8.75 -9.04 -1.05 0
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218946 85090226 1 PO4C33H43 AB4C33D43 -163.07 6.71 -8.99 -0.16 0
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218947 85090228 2 N2O3C14H23 A2B3C14D23 -327.67 1.82 -9.5 0.18 0
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218948 85090229 1 N2O3C35H38 A2B3C35D38 -66.19 3.17 -8.0 -0.23 0
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218949 85090230 1 O3C37H42 A3B37C42 -53.78 5.59 -8.98 -0.35 0
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218950 85090234 1 NPSO8C25H30 ABCD8E25F30 -338.11 7.09 -8.44 -1.08 0
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218951 85090235 1 NS2F3O9C19H28 AB2C3D9E19F28 -522.64 5.82 -9.14 -1.35 0
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218952 85090239 1 BrO2N3C29H34 AB2C3D29E34 -19.03 18.03 -7.66 -0.63 1
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218953 85090240 1 O2N3C29H34 A2B3C29D34 13.53 4.21 0.0 0.0 0
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218954 85090241 1 ON4C24H26 AB4C24D26 37.32 4.82 -8.72 -0.09 0
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218955 85090242 1 IOPdN2C13H23 ABCD2E13F23 102.73 5.93 -7.3 -2.08 0
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218956 85090243 1 NF2H9C11 AB2C9D11 -50.07 1.71 -8.99 -0.74 0
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218957 85090251 1 PdN2F5C14H21 AB2C5D14E21 -132.98 2.11 -7.15 -0.83 0
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218958 85090252 1 BrF2H9C13 AB2C9D13 -55.92 1.68 -9.49 -0.72 0
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218959 85090257 2 FOC6H7 ABC6D7 -190.38 3.16 -10.26 -0.86 0
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218960 85090258 1 ClPdF2N2C13H21 ABC2D2E13F21 -47.05 3.34 -8.15 0.3 0
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218962 85090260 1 NF2O2C13H17 AB2C2D13E17 -177.9 4.87 -9.45 -0.56 0
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218963 85090261 1 OF2C28H46 AB2C28D46 -225.2 4.24 -8.71 0.16 0
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218964 85090262 1 NF2C12H17 AB2C12D17 -94.88 3.97 -8.85 -0.01 0
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218965 85090263 1 PdF2N2C13H22 AB2C2D13E22 26.83 2.72 -8.27 -0.08 0
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218966 85090266 1 NOF2C12H15 ABC2D12E15 -136.67 4.48 -9.62 -0.59 0
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218967 85090267 1 NF2H15C19 AB2C15D19 -25.08 2.9 -8.22 -0.35 0
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218968 85090268 1 NF2O2C14H19 AB2C2D14E19 -168.4 4.33 -9.03 0.05 0
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218969 85090271 1 F2O2C11H12 A2B2C11D12 -172.36 1.9 -9.92 -0.27 0
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218970 85090272 1 ClIPdN2C12H20 ABCD2E12F20 110.71 6.02 -8.01 -1.23 0
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218972 85090275 1 F2C15H22 A2B15C22 -125.22 3.31 -9.62 -0.04 -1
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218973 85090277 1 AgF2N2C28H37 AB2C2D28E37 -246.86 18.54 -8.78 -3.17 0
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218974 85090278 1 OF2H12C14 AB2C12D14 -93.8 3.62 -9.17 -0.23 0
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218975 85090281 1 OSC23H30 ABC23D30 -39.75 3.49 -8.38 0.13 0
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218976 85090282 1 NS2O3H23C24 AB2C3D23E24 -62.76 6.53 -8.96 -0.44 1
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218977 85090283 1 PS2N3C34H37 AB2C3D34E37 15.06 5.27 0.0 0.0 0
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218978 85090286 1 PSeN3C22H30 ABC3D22E30 26.75 4.94 -8.22 0.04 0
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218979 85090287 1 SO3C23H30 AB3C23D30 -113.69 3.17 -8.22 0.13 0
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218980 85090288 1 OSC19H22 ABC19D22 -13.6 2.93 -8.51 -0.05 0
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218981 85090289 1 OSC20H24 ABC20D24 -18.83 2.68 -8.56 -0.05 0
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218982 85090291 1 SO2C18H20 AB2C18D20 -41.53 4.27 -8.17 0.06 0
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218983 85090292 1 OSC17H18 ABC17D18 -1.46 2.76 -8.7 -0.21 0
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218984 85090294 1 NSO4C20H21 ABC4D20E21 -125.58 3.68 -8.1 -1.08 0
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218985 85090299 1 FOSC17H17 ABCD17E17 -49.07 2.7 -8.64 -0.16 0