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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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166192 74649284 1 SO2N4C19H24 AB2C4D19E24 -3.83 2.2 -8.85 -0.68 0
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166193 74649426 1 FO2S2N4C22H23 AB2C2D4E22F23 -69.26 4.51 -8.86 -0.72 0
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166194 74649439 1 O3N5H11C12 A3B5C11D12 -31.41 5.78 -9.07 -1.63 0
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166195 74649441 1 SN4O5C19H24 AB4C5D19E24 -175.7 5.26 -8.48 -0.66 1
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166196 74649447 1 O3N4C19H25 A3B4C19D25 -36.19 5.89 0.0 0.0 1
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166197 74649633 1 O4N5C23H26 A4B5C23D26 -103.04 2.79 0.0 0.0 1
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166198 74649634 1 N2O4C22H31 A2B4C22D31 -91.37 6.05 0.0 0.0 0
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166199 74649810 1 FO3N4H11C15 AB3C4D11E15 8.01 6.47 -9.54 -2.12 1
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166200 74649856 1 O2N4C23H39 A2B4C23D39 -104.28 3.03 0.0 0.0 0
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166201 74649857 1 O2N4C23H38 A2B4C23D38 -106.76 4.4 -8.7 0.31 1
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166202 74649858 1 O2N3C24H38 A2B3C24D38 -93.89 5.96 0.0 0.0 0
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166203 74649859 1 ClSO3N5H16C22 ABC3D5E16F22 54.01 1.51 -9.35 -1.67 1
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166204 74649860 1 SO3N4C23H25 AB3C4D23E25 -12.73 5.85 0.0 0.0 0
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166205 74650012 1 FSN5C21H22 ABC5D21E22 92.34 7.27 -8.49 -1.48 0
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166206 74650564 1 SN3O5H23C25 AB3C5D23E25 -83.93 7.01 -8.24 -0.88 0
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166207 74650715 1 O2N5C19H25 A2B5C19D25 -3.51 4.94 -8.6 -0.72 0
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166208 74650738 1 SN2O2H24C26 AB2C2D24E26 1.93 7.58 -8.7 -0.69 1
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166209 74650739 1 N4O4C20H21 A4B4C20D21 -89.34 4.18 0.0 0.0 1
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166210 74650740 1 SO3N4H21C23 AB3C4D21E23 -23.0 4.39 0.0 0.0 0
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166211 74650741 1 NO3C20H23 AB3C20D23 -71.78 3.23 -9.0 -0.48 0
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166212 74650742 1 ClNO2C19H20 ABC2D19E20 -40.11 5.92 -9.44 -0.71 0
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166213 74650743 1 FS2O3N4H19C23 AB2C3D4E19F23 -78.05 6.05 -8.99 -1.38 0
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166214 74650745 1 SO3N6C22H30 AB3C6D22E30 -91.53 4.28 -9.05 -1.23 0
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166215 74651042 1 N3O4H19C23 A3B4C19D23 -70.91 6.57 -8.67 -1.61 0
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166216 74651043 1 OSN3C21H27 ABC3D21E27 3.21 4.87 -8.74 -0.88 1
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166217 74651044 1 OSN2C23H29 ABC2D23E29 0.42 4.61 0.0 0.0 1
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166218 74651045 1 SO2N3C22H32 AB2C3D22E32 -82.71 2.43 0.0 0.0 1
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166219 74651106 1 ClO2N4C18H26 AB2C4D18E26 -49.29 5.67 0.0 0.0 0
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166220 74651265 1 SN4O6C21H32 AB4C6D21E32 -239.79 3.61 -9.42 -0.4 0
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166221 74651266 2 SN2O3C10H15 AB2C3D10E15 -227.19 3.17 -9.24 -0.47 0
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166222 74651267 1 SF2N4O5C20H28 AB2C4D5E20F28 -287.18 3.37 -9.26 -0.92 0
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166223 74651942 1 ClOSN3C11H12 ABCD3E11F12 13.14 1.58 -8.98 -1.26 1
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166224 74651990 1 N2O3C20H23 A2B3C20D23 -64.67 7.5 0.0 0.0 0
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166225 74652100 1 SO2N6C20H22 AB2C6D20E22 14.2 5.9 -8.7 -1.15 1
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166226 74652228 1 N2C8H13 A2B8C13 29.19 1.09 0.0 0.0 -1
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166227 74652528 1 O4C7H9 A4B7C9 -132.97 5.52 0.0 0.0 0
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166228 74653417 1 O6H20C21 A6B20C21 -162.94 2.69 -9.06 -0.91 0
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166229 74653418 1 NO7H17C20 AB7C17D20 -124.21 8.22 -8.91 -1.72 0
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166230 74653541 1 NS2O5H17C20 AB2C5D17E20 -104.11 4.53 -8.95 -1.62 0
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166231 74653542 1 SO7C20H20 AB7C20D20 -225.75 4.27 -9.04 -1.14 0
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166232 74653543 1 NO7H21C22 AB7C21D22 -215.16 2.13 -8.94 -0.94 0
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166233 74653636 1 ON4C17H22 AB4C17D22 31.46 3.94 -9.47 -0.57 0
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166234 74653716 1 S2N4O6C21H24 A2B4C6D21E24 -150.66 8.89 -8.47 -0.95 1
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166235 74654951 1 SO3N4C25H31 AB3C4D25E31 -53.82 9.61 0.0 0.0 1
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166236 74654952 1 ClFN2O2C20H25 ABC2D2E20F25 -89.75 5.74 0.0 0.0 1
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166237 74655080 1 O2F3N4H22C23 A2B3C4D22E23 -120.11 13.39 0.0 0.0 0
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166238 74655081 1 O2F3N4H21C23 A2B3C4D21E23 -117.0 7.18 -9.03 -1.78 0
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166239 74655082 1 ClSN3O3C22H24 ABC3D3E22F24 -52.3 2.49 -9.11 -0.92 0
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166240 74655449 2 ON3C7H8 AB3C7D8 10.08 3.26 -9.44 -0.94 0
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166241 74655734 2 N2O2C10H13 A2B2C10D13 -136.57 7.16 -9.01 0.02 0