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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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148174 53787836 1 O3C28H40 A3B28C40 -126.53 4.23 -9.81 0.02 0
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148175 53787837 1 BrN3O3C23H26 AB3C3D23E26 -54.74 5.16 -8.8 -1.33 0
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148176 53787838 1 S2N4O7C23H24 A2B4C7D23E24 -219.54 3.86 -9.74 -1.1 0
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148177 53787839 1 BrNOC12H14 ABCD12E14 -3.31 5.26 -9.35 -0.89 0
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148178 53787840 1 ClO3H25C28 AB3C25D28 -62.45 3.91 -8.52 -0.67 0
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148179 53787841 1 OS2C10H10 AB2C10D10 5.13 2.54 -8.41 -0.51 0
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148180 53787842 1 OSN2C17H20 ABC2D17E20 46.39 1.06 -8.93 -0.93 0
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148181 53787843 6 OC4H5 AB4C5 -228.43 6.51 -9.28 -0.37 0
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148182 53787844 1 N4H18C19 A4B18C19 105.13 5.11 -8.64 -0.22 0
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148183 53787845 2 ON2H11C14 AB2C11D14 39.92 3.62 -8.68 -0.82 0
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148184 53787846 1 ClSO3N5C24H30 ABC3D5E24F30 15.57 6.69 -8.78 -1.5 0
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148185 53787847 1 S2N4O7C17H18 A2B4C7D17E18 -225.33 3.87 -9.27 -1.03 0
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148186 53787848 1 NPO7C25H36 ABC7D25E36 -329.64 1.38 -8.61 -0.37 0
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148187 53787849 1 NC7F13 AB7C13 -614.84 1.15 -11.87 -1.52 0
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148188 53787850 1 O2N3C25H29 A2B3C25D29 -5.89 6.49 -8.67 -0.82 0
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148189 53787851 1 IC16H27 AB16C27 -9.53 2.71 -9.05 -0.54 0
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148190 53787852 1 ON3C20H21 AB3C20D21 47.9 4.7 -8.78 -1.08 0
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148191 53787853 1 O2N6C25H34 A2B6C25D34 4.3 7.57 -7.97 0.28 0
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148192 53787854 4 NOC7H8 ABC7D8 -57.9 0.76 -8.99 -1.63 0
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148193 53787855 1 N2S2O5C6H8 A2B2C5D6E8 -167.43 7.88 -9.6 -0.97 0
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148194 53787856 1 O5C20H36 A5B20C36 -279.63 4.68 -10.31 0.42 0
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148195 53787857 1 O5C20H36 A5B20C36 -281.21 2.64 -9.94 0.56 0
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148196 53787858 1 O5C20H36 A5B20C36 -287.85 3.36 -10.15 0.45 0
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148197 53787859 1 O5C20H36 A5B20C36 -278.9 2.23 -10.21 0.53 0
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148198 53787860 1 OCl2C20H32 AB2C20D32 -98.53 2.28 -8.66 -0.01 0
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148199 53787861 1 OC13H20 AB13C20 -44.81 1.18 -9.34 0.41 0
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148200 53787862 1 NO2C19H23 AB2C19D23 -37.15 5.19 -8.8 -0.06 0
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148201 53787863 1 N3O3H15C17 A3B3C15D17 -19.71 2.52 -7.74 -1.7 0
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148202 53787864 1 NO8C9H19 AB8C9D19 -331.0 3.45 -10.32 -0.54 0
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148203 53787865 1 Si3C34H36 A3B34C36 43.9 0.85 -8.01 -0.18 0
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148204 53787866 1 O3C22H32 A3B22C32 -179.4 7.03 -9.22 -0.04 0
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148205 53787867 1 FO3N5C40H42 AB3C5D40E42 -74.31 1.95 -8.98 -0.56 0
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148206 53787868 1 ClON4H21C22 ABC4D21E22 76.97 2.31 -9.32 -1.63 0
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148207 53787869 1 NO8C33H37 AB8C33D37 -203.88 5.16 -8.78 -1.15 0
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148208 53787870 1 ClNO4H8C10 ABC4D8E10 -135.61 4.11 -9.99 -1.66 0
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148209 53787871 1 S2F3N3O3H18C19 A2B3C3D3E18F19 -196.83 7.59 -8.95 -1.16 0
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148210 53787872 1 ClSH11C16 ABC11D16 67.92 1.78 -8.46 -0.79 0
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148211 53787873 1 N3O3C11H15 A3B3C11D15 -74.69 4.95 -9.56 -0.45 0
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148212 53787874 1 N3O3C11H15 A3B3C11D15 -75.04 4.4 -9.6 -0.52 0
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148213 53787875 1 NOC14H21 ABC14D21 -52.24 3.27 -9.54 0.17 0
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148214 53787876 1 FH2N3O3C6 AB2C3D3E6 17.52 6.05 -10.89 -2.31 0
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148215 53787877 1 N6O6C19H24 A6B6C19D24 -226.1 11.61 -9.26 -0.62 0
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148216 53787878 1 Si2O6C39H70 A2B6C39D70 -451.29 5.15 -8.4 0.57 0
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148217 53787879 4 NOC2H3 ABC2D3 -87.38 5.7 -10.4 -0.84 0
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148218 53787880 1 ClOC10H11 ABC10D11 -34.81 2.84 -8.96 -0.21 0
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148219 53787881 1 S2N4O7C17H20 A2B4C7D17E20 -188.41 3.32 -9.47 -1.12 0
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148220 53787882 1 ON2C28H36 AB2C28D36 -3.03 7.74 -8.01 -0.1 0
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148221 53787883 1 BrNOC12H14 ABCD12E14 -20.59 2.05 -9.48 -0.67 0
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148222 53787884 1 S2N5O7H17C19 A2B5C7D17E19 -127.33 1.17 -9.0 -1.88 0
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148223 53787885 1 N2O7C36H44 A2B7C36D44 -248.17 9.39 -8.67 -0.11 1
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148224 53787886 1 N2O7C22H29 A2B7C22D29 -245.25 9.47 0.0 0.0 0
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148225 53787887 1 ClS2N5O7H20C21 AB2C5D7E20F21 -175.24 1.62 -9.31 -1.72 0
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148226 53787888 1 SN2O5H14C15 AB2C5D14E15 -133.06 7.95 -9.52 -0.84 0
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148227 53787889 1 O4H28C31 A4B28C31 -58.84 2.96 -8.53 -0.85 0
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148228 53787890 1 FSO3N7H26C29 ABC3D7E26F29 -12.61 8.28 -8.99 -0.87 0
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148229 53787891 1 NOC19H19 ABC19D19 41.53 5.23 -8.24 -0.72 0
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148230 53787892 1 N2S2C7H16 A2B2C7D16 -2.04 4.42 -8.55 -0.29 0
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148231 53787893 1 NO7C30H37 AB7C30D37 -227.96 5.06 -8.54 -0.28 0
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148232 53787894 1 SF2N2C8H8 AB2C2D8E8 -45.84 2.75 -8.09 -0.7 0
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148233 53787895 1 O6C25H32 A6B25C32 -231.81 4.9 -8.94 -0.2 0
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148234 53787896 1 ClN2O3C17H25 AB2C3D17E25 -143.28 6.01 -8.98 -0.28 0
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148235 53787897 1 N4O7C18H22 A4B7C18D22 -179.89 4.09 -9.85 -1.88 0
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148236 53787898 1 N2O6H28C29 A2B6C28D29 -143.8 4.92 -9.27 -0.67 0
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148237 53787899 1 IN2S2O4H17C21 AB2C2D4E17F21 -61.82 6.13 -9.39 -1.17 0
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148238 53787900 1 IN2S2O4H17C21 AB2C2D4E17F21 -60.53 6.89 -9.3 -1.09 0
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148239 53787901 1 O4N5C21H33 A4B5C21D33 -2.84 4.28 -8.91 -1.31 0
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148240 53787902 1 O4N5C15H15 A4B5C15D15 43.44 6.38 -8.87 -1.11 1
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148241 53787903 1 ON2H13C16 AB2C13D16 77.54 1.5 0.0 0.0 0
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148242 53787904 1 SN3O4C24H31 AB3C4D24E31 -137.92 8.34 -9.45 -0.74 1
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148243 53787905 1 SCl2N3O6C19H20 AB2C3D6E19F20 -149.01 1.76 0.0 0.0 0
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148244 53787906 1 ON6C20H32 AB6C20D32 15.84 7.49 -9.87 -0.82 0
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148245 53787907 1 O6C27H28 A6B27C28 -137.1 5.27 -9.01 -0.58 0
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148246 53787908 1 NCl2O2H9C11 AB2C2D9E11 -18.73 2.29 -9.61 -0.72 0
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148247 53787909 1 N2O3C22H26 A2B3C22D26 -46.18 2.05 -8.24 -0.38 0
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148248 53787910 1 N4O5C28H32 A4B5C28D32 -135.73 7.51 -7.96 -0.39 0
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148249 53787911 2 PO4C5H8 AB4C5D8 -441.47 3.12 -9.39 -0.21 0
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148250 53787912 1 N2O2C29H42 A2B2C29D42 -87.65 3.16 -8.43 -0.73 0
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148251 53787913 1 NOC21H21 ABC21D21 48.19 2.18 -8.77 -0.57 0
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148252 53787914 1 FOSN2C15H15 ABCD2E15F15 -22.02 6.25 -9.14 -0.63 -1
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148253 53787915 1 N2O2C7H15 A2B2C7D15 -80.95 2.51 0.0 0.0 0
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148254 53787916 1 N2O2C7H16 A2B2C7D16 -98.42 4.8 -9.26 0.81 0
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148255 53787917 1 NSO3C5H7 ABC3D5E7 -92.07 4.24 -8.88 -0.08 0
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148256 53787918 1 O5C17H22 A5B17C22 -200.13 5.58 -9.67 -0.72 0
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148257 53787919 1 N2O3C8H14 A2B3C8D14 -30.4 0.8 -9.42 -0.99 0
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148258 53787920 1 PSN2O4C19H23 ABC2D4E19F23 -172.6 6.2 -8.89 -0.6 0
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148259 53787921 1 Cl2O3N4C13H18 A2B3C4D13E18 -101.59 3.56 -8.88 -0.76 0
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148260 53787922 1 FSN3O6C18H20 ABC3D6E18F20 -254.56 8.54 -9.56 -0.54 0
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148261 53787923 1 NPO4C10H22 ABC4D10E22 -272.32 3.87 -9.69 0.75 0
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148262 53787924 1 ClN2O3C21H23 AB2C3D21E23 -69.88 3.55 -8.58 -1.3 0
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148263 53787925 1 OC27H42 AB27C42 -81.79 3.36 -8.34 0.2 0
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148264 53787926 1 PN2F3O3C22H22 AB2C3D3E22F22 -266.75 7.37 -9.23 -1.54 0
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148265 53787927 1 ClO2H9C11 AB2C9D11 -30.65 3.05 -9.52 -0.75 0
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148266 53787928 1 P2O7Cl9C17H29 A2B7C9D17E29 -532.41 2.77 -10.36 -0.28 0
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148267 53787929 1 OSN2C5H8 ABC2D5E8 -26.06 4.66 -9.06 0.13 0
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148268 53787930 1 NH13C14 AB13C14 43.9 1.95 -7.8 -0.3 0
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148269 53787931 1 OSN3C4H5 ABC3D4E5 -5.78 6.53 -9.35 -0.68 0
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148270 53787932 1 ClNSO2C13H22 ABCD2E13F22 -109.6 3.96 -9.78 -0.75 0
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148271 53787933 1 N2S2O4C19H28 A2B2C4D19E28 -150.59 6.58 -9.17 -1.43 0
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148272 53787934 1 O2N3C34H57 A2B3C34D57 -123.75 3.59 -8.34 -0.01 0
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148273 53787935 1 N2O4C41H50 A2B4C41D50 -85.63 3.9 -8.66 -0.05 0