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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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390125 134997230 1 O3C14H20 A3B14C20 -129.88 1.47 -9.34 0.41 0
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390126 134997232 1 O4C13H18 A4B13C18 -186.92 6.86 -10.62 -0.36 0
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390128 134997240 2 O3C8H10 A3B8C10 -241.31 3.95 -8.76 0.26 0
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390129 134997246 1 NO3C16H21 AB3C16D21 -58.0 3.18 -8.6 -0.27 0
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390130 134997251 1 BrN2O3C19H25 AB2C3D19E25 -79.3 4.64 -9.54 -0.35 0
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390131 134997253 1 N2O3C24H28 A2B3C24D28 -50.23 4.3 -8.96 -0.34 0
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390133 134997275 1 C17H22 A17B22 17.9 1.1 -9.14 0.42 0
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390134 134997276 1 NO4C21H33 AB4C21D33 -173.77 1.76 -8.15 0.34 0
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390135 134997277 1 NO4C26H35 AB4C26D35 -146.86 0.69 -8.21 0.28 0
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390136 134997279 1 NO11C22H27 AB11C22D27 -414.75 4.65 -9.09 -0.34 0
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390137 134997282 1 NOC22H29 ABC22D29 -38.29 3.34 -9.29 0.02 0
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390138 134997284 1 CrNO5C19H25 ABC5D19E25 -18.58 3.29 -7.7 0.0 0
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390139 134997286 1 NO2C22H29 AB2C22D29 -73.62 3.48 -9.07 0.22 0
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390140 134997288 1 CrFSiO5C28H33 ABCD5E28F33 -147.55 5.68 -7.12 -0.03 0
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390141 134997289 1 SO12C50H54 AB12C50D54 -388.0 9.08 -8.57 -0.06 0
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390142 134997302 1 LiOSH11C14 ABCD11E14 52.23 7.87 -7.2 0.65 0
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390144 134997309 1 BNSiSnC22H49 ABCDE22F49 -25.1 2.82 0.0 0.0 0
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390145 134997310 1 FOSiC13H19 ABCD13E19 -104.15 3.82 -8.81 0.07 0
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390146 134997350 1 NO2C20H21 AB2C20D21 -34.96 1.73 -8.58 -0.45 0
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390147 134997375 1 S2N3O31H91C108 A2B3C31D91E108 -924.32 5.58 -8.58 -1.48 0
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390148 134997379 1 SiS2N3O16H65C74 AB2C3D16E65F74 -414.13 8.34 -8.47 -1.46 0
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390149 134997380 1 PdBr2S2N3O16H47C58 AB2C2D3E16F47G58 -419.05 13.51 -8.19 -1.68 0
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390150 134997382 1 NSO21H85C95 ABC21D85E95 -530.39 5.26 -8.73 -0.73 0
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390151 134997396 1 NOC13H23 ABC13D23 -38.99 3.96 -8.47 0.78 0
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390152 134997397 1 O7C27H38 A7B27C38 -282.06 2.91 -9.51 0.2 0
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390153 134997405 1 N2O3C15H20 A2B3C15D20 -79.4 1.3 -9.09 0.24 0
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390154 134997406 1 N2O3H18C22 A2B3C18D22 109.42 4.52 -9.4 -1.34 0
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390155 134997412 1 PSiO2N4C17H31 ABC2D4E17F31 -133.83 1.11 -8.9 -0.31 0
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390156 134997416 1 OSiC17H26 ABC17D26 -63.17 1.33 -9.2 0.45 0
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390157 134997418 1 SN2O5H18C21 AB2C5D18E21 -12.84 5.01 -9.48 -1.9 0
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390158 134997435 1 NOSSiC14H19 ABCDE14F19 29.82 9.87 -7.46 -1.27 1
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390159 134997439 1 OSSiN3C14H20 ABCD3E14F20 13.07 4.04 0.0 0.0 0
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390160 134997444 1 OSC15H22 ABC15D22 -56.98 3.26 -8.36 0.1 0
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390162 134997462 1 NSO4C15H17 ABC4D15E17 -101.31 7.56 -9.31 -0.45 0
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390163 134997491 1 NO5C18H31 AB5C18D31 -263.94 2.97 -9.78 -0.19 0
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390164 134997521 1 BrClLiMgNH4C7 ABCDEF4G7 -56.92 4.77 -9.6 -0.14 0
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390165 134997522 1 LiMgSCl3O4C14H18 ABCD3E4F14G18 -302.81 4.62 -8.96 -0.48 0
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390166 134997525 1 NSO2H11C15 ABC2D11E15 28.48 3.13 -9.55 -1.0 0
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390167 134997526 1 NO2H17C20 AB2C17D20 35.0 4.62 -9.64 -0.82 0
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390168 134997532 1 O31H102C116 A31B102C116 -932.04 7.65 -8.87 -0.81 0
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390169 134997541 1 NO2H29C33 AB2C29D33 66.71 2.57 -8.58 -0.27 0
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390170 134997549 1 OSiC20H24 ABC20D24 -19.16 2.23 -9.14 0.22 0
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390171 134997550 1 OSiC20H24 ABC20D24 -20.09 2.61 -9.17 0.22 0
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390172 134997551 1 CrO6H16C19 AB6C16D19 -115.8 3.89 -7.89 -0.69 0
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390173 134997556 1 NO3C20H29 AB3C20D29 -115.86 3.36 -9.25 0.18 0
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390174 134997560 1 ClNO2C25H26 ABC2D25E26 13.84 1.77 -8.92 -0.42 0
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390175 134997566 1 NSC13H15 ABC13D15 51.15 0.49 -8.27 -0.41 0
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390176 134997571 1 OSH14C19 ABC14D19 45.7 1.37 -8.53 -0.57 0
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390177 134997572 1 ClNOSiC12H16 ABCDE12F16 -48.0 2.08 -9.71 -0.45 0
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390178 134997582 1 PN3O4H36C41 AB3C4D36E41 2.75 13.97 -7.37 -0.82 0
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390179 134997583 1 Cl3F3N5H7C12 A3B3C5D7E12 -49.6 7.36 -9.44 -1.65 0
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390180 134997586 1 OCl2N3C18H19 AB2C3D18E19 -11.7 5.28 -9.57 -0.19 0
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390181 134997588 1 ClN3C23H34 AB3C23D34 1.85 1.89 -9.04 -0.61 0
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390182 134997628 1 NO3C27H35 AB3C27D35 -105.82 1.03 -9.21 -0.69 0
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390183 134997662 1 NSO13H63C68 ABC13D63E68 -288.3 3.86 -8.9 -0.82 0
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390185 134997664 1 NSiO2C28H35 ABC2D28E35 -39.62 1.44 -8.97 0.06 0
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390186 134997666 1 NO2H19C20 AB2C19D20 -19.41 4.9 -8.94 -0.21 0
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390187 134997667 1 O2C17H34 A2B17C34 -134.88 0.85 -10.02 1.79 0
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390188 134997669 1 OS2C25H26 AB2C25D26 15.66 2.22 -8.45 0.05 0
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390189 134997670 1 NSSnC30H51 ABCD30E51 -17.84 2.82 -8.1 0.06 0
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390190 134997671 1 NSSiC21H33 ABCD21E33 -18.5 1.05 -8.23 0.13 0
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390192 134997700 1 N2O5C18H30 A2B5C18D30 -256.81 5.65 -9.64 0.2 0
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390193 134997703 1 N2O5C23H32 A2B5C23D32 -220.05 5.96 -9.64 0.0 0
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390194 134997704 2 NO3C11H13 AB3C11D13 -201.27 1.46 -8.82 -0.18 0
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390195 134997706 2 NO3C11H15 AB3C11D15 -248.36 5.74 -8.92 0.08 0
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390196 134997707 1 N2O3C31H36 A2B3C31D36 -7.66 2.7 -8.72 0.24 0
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390198 134997709 1 NSC15H17 ABC15D17 63.78 0.44 -8.27 -0.58 0
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390199 134997712 1 NOSBr2C26H29 ABCD2E26F29 18.13 4.87 -8.9 -0.62 0
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390200 134997714 1 ON2C22H28 AB2C22D28 -17.3 2.85 -8.06 0.27 0
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390201 134997715 1 ON2C22H28 AB2C22D28 -17.74 2.56 -8.01 0.43 0
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390203 134997727 1 NSO2C17H17 ABC2D17E17 -14.84 4.2 -9.47 -0.28 0
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390204 134997737 1 NO3H21C30 AB3C21D30 24.74 5.55 -8.9 -0.71 0
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390205 134997738 1 NO6C16H17 AB6C16D17 -188.5 2.25 -9.21 -0.63 0
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390206 134997740 1 ClN2O3H19C25 AB2C3D19E25 -1.3 7.0 -9.0 -1.44 -1
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390208 134997742 1 NSiO3C31H39 ABC3D31E39 -106.55 4.64 -8.62 -0.47 0