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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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21221 587710 1 ClN3O3C18H20 AB3C3D18E20 -68.43 3.68 -9.68 -0.91 0
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21222 587711 2 FH3C4 AB3C4 -60.47 1.42 -9.5 -0.22 0
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21223 587712 1 O5C17H24 A5B17C24 -196.15 5.18 -9.63 0.68 0
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21224 587713 1 NSO4C16H25 ABC4D16E25 -159.28 5.84 -9.04 -0.64 0
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21225 587714 1 SN2O2H16C18 AB2C2D16E18 11.27 5.66 -8.72 -0.63 0
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21226 587715 1 NSO4C14H17 ABC4D14E17 -132.31 6.02 -9.42 -0.54 0
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21227 587716 2 NOH7C9 ABC7D9 24.78 2.23 -8.86 -0.83 0
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21228 587725 1 NO2C27H41 AB2C27D41 -131.6 3.47 -9.27 0.42 0
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21229 587726 1 NO5C33H53 AB5C33D53 -308.67 4.1 -9.18 0.82 0
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21230 587746 1 O5C14H18 A5B14C18 -215.23 9.41 -9.69 -0.12 0
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21231 587748 4 OC2H3 AB2C3 -172.77 2.62 -10.31 -0.26 0
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21232 587749 2 OC7H11 AB7C11 -118.75 3.03 -9.88 0.72 0
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21233 587750 1 O4C9H14 A4B9C14 -185.71 1.7 -10.46 -0.26 0
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21234 587751 1 ClOSN3H10C14 ABCD3E10F14 35.3 3.21 -8.97 -1.32 0
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21235 587752 1 ClON5H6C8 ABC5D6E8 48.79 2.6 -10.32 -1.12 0
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21236 587758 1 O3N4H10C12 A3B4C10D12 -17.73 4.48 -8.96 -1.33 0
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21237 587759 1 IN3O3C7H10 AB3C3D7E10 -65.62 5.62 -9.37 -1.49 0
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21238 587760 1 N3O3F4H13C16 A3B3C4D13E16 -209.76 4.93 -9.7 -1.38 0
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21239 587761 1 N2O5C25H34 A2B5C25D34 -173.25 2.77 -7.73 0.22 0
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21240 587762 1 NiC11H16 AB11C16 21.2 2.44 -7.26 1.13 -8
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21241 587763 1 C6H11 A6B11 6.0 0.44 0.0 0.0 -3
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21242 587765 1 SN2C6H8 AB2C6D8 50.56 3.67 -8.72 -0.13 0
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21243 587766 1 O3C7H8 A3B7C8 -102.74 2.36 -8.41 -0.11 0
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21244 587767 1 O3C10H14 A3B10C14 -105.34 3.52 -9.47 0.34 0
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21245 587768 1 OPC11H15 ABC11D15 -52.54 4.73 -9.76 -0.02 0
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21246 587769 1 ClO3N5C17H18 AB3C5D17E18 -53.76 5.12 -9.18 -0.97 0
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21247 587770 1 O2Cl3N3H12C15 A2B3C3D12E15 -62.47 3.07 -9.66 -1.53 0
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21248 587771 1 OPC13H19 ABC13D19 -74.92 5.06 -9.58 0.02 0
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21249 587773 1 F2C19H28 A2B19C28 -126.51 3.54 -9.53 -0.17 0
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21250 587774 1 F2C25H38 A2B25C38 -144.72 3.6 -9.51 -0.16 0
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21251 587776 2 FC11H16 AB11C16 -131.91 3.52 -9.52 -0.16 0
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21252 587780 2 FOC6H7 ABC6D7 -181.92 1.89 -9.79 -0.43 0
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21253 587783 1 N3F6H7C14 A3B6C7D14 -219.5 3.04 -9.82 -1.86 0
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21254 587791 2 NOC3H4 ABC3D4 -30.09 2.26 -8.99 -0.62 0
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21255 587792 1 FO2H5C7 AB2C5D7 -91.13 2.28 -9.63 -1.13 0
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21256 587794 1 ClO2N3H12C14 AB2C3D12E14 59.88 9.24 -8.82 -1.53 0
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21257 587795 1 H8C11 A8B11 92.52 0.4 -8.92 -0.25 0
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21258 587796 1 ClNO2C17H24 ABC2D17E24 -97.09 1.14 -8.7 -0.97 0
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21259 587798 1 NOC13H13 ABC13D13 -5.07 2.98 -8.28 -0.45 0
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21260 587800 1 ON8H16C18 AB8C16D18 201.91 1.34 -8.96 -1.39 0
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21261 587801 1 O2N3C12H21 A2B3C12D21 -109.29 7.0 -10.37 -0.6 0
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21262 587802 1 NC11H23 AB11C23 -36.79 1.14 -8.26 2.93 0
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21263 587803 1 FN3C6H8 AB3C6D8 4.16 6.36 -8.92 -0.69 0
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21264 587804 2 O3C7H14 A3B7C14 -319.15 1.92 -10.46 0.86 0
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21265 587808 1 ClON2H13C14 ABC2D13E14 -1.62 3.47 -8.83 -0.6 0
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21266 587809 1 NCl2O2C17H23 AB2C2D17E23 -102.65 1.89 -8.76 -1.18 0
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21267 587811 1 NOSCl2H7C12 ABCD2E7F12 15.28 4.13 -9.6 -1.3 0
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21268 587815 1 ClNC8H10 ABC8D10 6.3 2.57 -8.34 0.14 0
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21269 587818 1 ClN2O2H9C13 AB2C2D9E13 27.42 2.29 -9.57 -1.28 0
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21270 587819 1 ClSO2N3H8C14 ABC2D3E8F14 39.66 4.99 -9.15 -1.47 0
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21271 587820 1 Cl2O2N3H7C8 A2B2C3D7E8 -12.49 2.22 -9.74 -1.3 0
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21272 587822 1 ClNO2C11H14 ABC2D11E14 -86.59 2.33 -9.65 -0.36 0
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21273 587823 1 FCl2N2O2H7C13 AB2C2D2E7F13 -29.67 1.83 -9.78 -1.57 0
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21274 587824 1 ClSN3O4H10C13 ABC3D4E10F13 -46.55 4.19 -9.79 -2.15 0
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21275 587825 1 ClNOC8H10 ABCD8E10 -34.23 2.89 -8.62 -0.09 0
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21276 587827 2 ClNC7H7 ABC7D7 11.37 4.37 -8.69 -0.05 0
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21277 587828 1 NO2C17H25 AB2C17D25 -87.2 1.76 -8.64 -0.63 0
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21278 587829 1 NF3O3C10H16 AB3C3D10E16 -305.52 6.02 -10.39 -0.26 0
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21279 587830 1 N2O2C17H26 A2B2C17D26 -92.5 4.28 -8.51 -0.3 0
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21280 587831 1 O2C11H18 A2B11C18 -98.12 6.45 -9.1 0.14 0
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21281 587835 1 NC15H31 AB15C31 -62.59 1.6 -8.89 3.16 0
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21282 587837 1 O2N3C10H17 A2B3C10D17 -98.49 7.03 -10.38 -0.59 0
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21283 587838 1 O2N3C11H19 A2B3C11D19 -103.48 6.98 -10.39 -0.6 0
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21284 587839 1 O2N3C10H17 A2B3C10D17 -99.49 7.01 -10.37 -0.59 0
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21285 587840 1 ClNC8H10 ABC8D10 6.19 4.31 -9.87 -0.41 0
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21286 587844 1 FNO2C7H8 ABC2D7E8 -111.89 3.36 -9.03 -0.57 0
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21287 587845 1 OF3C9H9 AB3C9D9 -192.65 2.62 -10.09 -0.68 0
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21288 587849 1 NF3O4C7H8 AB3C4D7E8 -312.85 3.87 -10.72 -0.46 0
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21289 587853 1 ON2C16H24 AB2C16D24 -49.74 5.13 -9.0 0.32 0
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21290 587856 1 ClON2H17C20 ABC2D17E20 30.33 5.3 -8.47 -0.54 0
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21291 587863 1 NC16H33 AB16C33 -64.66 1.52 -8.51 2.87 0
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21292 587865 1 FSiN2C12H21 ABC2D12E21 -93.25 3.19 -9.05 0.28 0
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21293 587866 1 SO3C8H10 AB3C8D10 -110.39 6.87 -9.8 -0.61 0
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21294 587868 1 F2O2C13H16 A2B2C13D16 -186.92 1.78 -9.87 -0.53 0
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21295 587872 1 ClN2O3C17H23 AB2C3D17E23 -138.18 5.2 -8.8 -0.27 0