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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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168915 75040873 1 N2O8C23H30 A2B8C23D30 -351.77 4.14 -9.29 0.1 0
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168916 75040874 2 N2O2C4H7 A2B2C4D7 -106.9 4.68 -9.77 0.12 0
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168917 75040875 1 N2O5H20C21 A2B5C20D21 -154.93 4.27 -9.07 -0.64 0
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168918 75040876 1 N5O8C24H41 A5B8C24D41 -408.28 7.64 -9.9 -0.14 0
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168919 75041281 4 NO10C17H22 AB10C17D22 -1748.33 6.28 -9.41 -0.66 0
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168920 75041282 1 NOC13H15 ABC13D15 39.8 1.33 -9.05 -0.11 0
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168921 75041283 1 NOH13C16 ABC13D16 82.99 1.28 -9.08 -0.1 0
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168922 75041284 1 NOH19C21 ABC19D21 98.54 1.1 -8.8 -0.3 1
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168923 75041410 1 P4N10O20C22H37 A4B10C20D22E37 -981.07 3.19 0.0 0.0 1
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168924 75041411 1 P4N10O20C22H33 A4B10C20D22E33 -885.41 25.67 0.0 0.0 0
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168925 75041412 1 P4N11O20C28H51 A4B11C20D28E51 -1017.8 15.92 -8.67 -0.73 1
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168926 75041568 1 P2N5C11O11H18 A2B5C11D11E18 -532.6 7.23 0.0 0.0 0
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168927 75041569 1 P3N6O13C17H33 A3B6C13D17E33 -680.01 11.8 -8.89 -0.98 0
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168928 75041570 1 P4N13O20C40H81 A4B13C20D40E81 -1072.02 22.05 -8.62 -1.05 0
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168929 75041636 1 ClSO5N6H27C36 ABC5D6E27F36 0.99 3.59 -9.01 -1.81 0
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168930 75041637 1 BrSO3N5H24C27 ABC3D5E24F27 19.02 4.62 -9.39 -1.61 0
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168931 75041638 1 BrSO3N5H24C27 ABC3D5E24F27 18.67 2.69 -9.33 -1.75 0
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168932 75041861 1 NO2C26H39 AB2C26D39 -101.87 4.06 -8.53 -0.73 0
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168933 75041928 1 F3O5N6C30H37 A3B5C6D30E37 -300.29 5.15 -9.49 -1.29 0
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168934 75042036 1 N2O2F3C28H33 A2B2C3D28E33 -207.3 5.64 -8.59 -0.9 0
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168935 75042607 1 ClSN4O4C30H45 ABC4D4E30F45 -210.04 2.31 -8.88 -0.29 0
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168936 75042608 1 SN4O4C30H44 AB4C4D30E44 -174.94 0.62 -8.48 -0.11 0
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168937 75043176 1 ClO2N8C24H35 AB2C8D24E35 -40.49 7.44 -8.65 -0.5 0
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168938 75043388 1 OF3N3C21H22 AB3C3D21E22 -126.69 4.78 -9.09 -1.14 0
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168939 75043483 1 OF2N3C29H33 AB2C3D29E33 -83.13 6.91 -8.96 -0.88 0
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168940 75043514 1 Cl2N3O3C31H41 A2B3C3D31E41 -123.81 7.09 -8.91 -0.98 0
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168941 75043515 1 Cl2O2N3C30H37 A2B2C3D30E37 -52.98 7.3 -8.55 -0.64 0
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168942 75044015 1 ClFN3O3C25H29 ABC3D3E25F29 -114.55 6.46 -8.8 -0.66 0
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168943 75044203 1 BrClN2O2C22H24 ABC2D2E22F24 -38.59 7.58 -8.63 -1.0 0
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168944 75044204 1 BrClN2O7C30H30 ABC2D7E30F30 -218.58 7.94 -8.58 -1.65 0
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168945 75044205 1 BrClN2O3C28H28 ABC2D3E28F28 -52.03 6.51 -8.72 -1.08 0
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168946 75044206 1 BrClN4O6C29H36 ABC4D6E29F36 -207.69 4.76 -8.21 -0.86 0
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168947 75044207 1 BrClO2N4C27H34 ABC2D4E27F34 -29.57 7.8 -8.45 -0.94 0
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168948 75044208 1 BrClN4O6C29H36 ABC4D6E29F36 -190.52 8.01 -8.52 -1.45 0
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168949 75044209 1 BrClO2N4C27H34 ABC2D4E27F34 -29.61 8.98 -8.39 -1.07 0
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168950 75045114 1 ClSN3O5C29H30 ABC3D5E29F30 -114.4 1.52 -8.63 -1.4 0
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168951 75045335 1 ON7C29H39 AB7C29D39 31.64 4.78 -8.41 -0.65 0
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168952 75045431 1 O3N7C22H31 A3B7C22D31 -93.2 6.62 -8.36 -0.57 0
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168953 75045432 1 ClNO3C29H40 ABC3D29E40 -166.9 4.12 -8.89 0.08 0
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168954 75045433 1 N3O3C35H53 A3B3C35D53 -161.64 6.59 -8.51 0.5 0
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168955 75045434 1 O3N4C38H52 A3B4C38D52 -119.05 7.11 -8.54 0.01 0
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168956 75045435 1 O3N5C37H51 A3B5C37D51 -105.03 4.99 -8.78 -0.49 0
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168957 75045928 1 ClN2O4C22H33 AB2C4D22E33 -130.02 0.88 -8.19 -0.16 0
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168958 75045929 1 ClN2O4H17C19 AB2C4D17E19 -117.65 8.94 -9.28 -0.92 0
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168959 75046045 1 OC28H34 AB28C34 168.87 3.2 -8.28 0.68 0
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168960 75046046 2 SN3O20C55H85 AB3C20D55E85 -1813.66 14.59 -8.62 -2.03 0
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168961 75046334 1 SO4N5H17C20 AB4C5D17E20 -8.74 7.11 -8.85 -1.5 0
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168962 75046353 1 ClO5N6C31H31 AB5C6D31E31 -79.88 4.83 -8.37 -0.99 0
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168963 75046493 1 INO3H12C16 ABC3D12E16 -35.94 4.88 -9.49 -1.87 0
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168964 75046758 1 NO6C26H37 AB6C26D37 -276.73 4.33 -9.17 -0.14 0