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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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227517 87561906 1 SO2N4C39H42 AB2C4D39E42 11.1 4.22 -8.62 -0.73 0
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227518 87561907 1 NO3C10H17 AB3C10D17 -153.3 3.33 -9.12 0.63 0
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227519 87561910 1 S2O3N7C21H23 A2B3C7D21E23 -2.71 13.86 -8.74 -0.69 0
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227520 87561911 1 F2O3N4H20C25 A2B3C4D20E25 -88.11 1.54 -8.46 -1.13 0
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227521 87561917 1 N2O4C31H54 A2B4C31D54 -232.58 11.86 -9.3 0.05 0
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227522 87561919 1 NO4F6C10H17 AB4C6D10E17 -501.11 4.79 -9.05 -1.29 0
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227523 87561920 1 ON4C26H32 AB4C26D32 50.42 4.71 -8.91 -0.74 0
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227524 87561921 1 P2C19H26 A2B19C26 17.21 1.08 -8.32 0.14 0
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227525 87561922 1 F3O3H7C9 A3B3C7D9 -258.6 5.56 -9.69 -0.63 0
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227526 87561923 1 N2Cl3F3O3H12C13 A2B3C3D3E12F13 -145.1 3.06 -9.15 -2.42 0
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227527 87561924 1 N2Cl3F3O3H10C13 A2B3C3D3E10F13 -201.33 3.74 -10.44 -1.8 0
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227528 87561926 1 NO2C6H11 AB2C6D11 -72.08 7.79 -9.76 -0.66 0
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227529 87561929 1 ClNaSH2C4O4 ABCD2E4F4 -174.87 11.85 -9.84 -0.52 0
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227530 87561935 1 O5C9H18 A5B9C18 -248.28 3.42 -10.3 -0.04 0
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227532 87561938 1 SN2O3C10H10 AB2C3D10E10 -67.68 5.49 -9.0 -0.68 0
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227533 87561939 1 N2Cl8O9C29H32 A2B8C9D29E32 -381.93 2.87 -8.35 -1.79 0
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227534 87561941 1 BrF5N5O5H29C35 AB5C5D5E29F35 -348.38 7.67 -8.53 -1.28 0
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227535 87561946 1 FNPSCl2O4H17C21 ABCDE2F4G17H21 -202.83 5.73 -8.63 -0.64 0
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227536 87561948 1 O5C22H40 A5B22C40 -268.6 6.71 -9.6 0.35 0
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227537 87561949 1 ClKS2O6H17C26 ABC2D6E17F26 -201.66 12.15 0.0 0.0 0
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227538 87561950 1 ClKSO3H14C26 ABCD3E14F26 -47.34 9.58 -8.53 -1.47 0
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227539 87561952 1 F2O3N4H20C25 A2B3C4D20E25 -88.75 2.83 -8.46 -1.13 0
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227540 87561954 1 FNPO3C13H23 ABCD3E13F23 -266.3 5.05 -8.36 -0.04 0
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227541 87561955 1 NF4C11H13 AB4C11D13 -186.06 3.44 -9.49 0.11 0
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227544 87561959 1 ClON2H19C24 ABC2D19E24 55.13 3.6 -8.61 -0.74 0
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227545 87561962 1 BrFN2O3C13H14 ABC2D3E13F14 -129.44 6.87 -9.36 -0.94 0
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227546 87561964 1 AlFC6H10 ABC6D10 4.05 6.52 -7.24 0.48 0
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227547 87561965 1 ClNaSO3H8C14 ABCD3E8F14 -120.19 12.95 -8.91 -1.62 0
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227548 87561966 1 ClNaSO3H9C14 ABCD3E9F14 -142.57 8.49 0.0 0.0 0
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227549 87561967 1 KO2N3C7H16 AB2C3D7E16 -132.21 4.24 -8.8 0.66 0
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227550 87561969 1 KO3C24H37 AB3C24D37 -152.51 5.19 -8.83 0.34 0
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227551 87561970 1 NSO4H15C17 ABC4D15E17 -88.49 4.63 -8.9 -1.89 0
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227552 87561971 1 KO3C24H37 AB3C24D37 -155.7 6.25 -8.93 0.33 0
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227553 87561974 1 ON4C6H6 AB4C6D6 48.2 6.32 -8.76 -1.22 0
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227554 87561975 2 NO2C5H9 AB2C5D9 -190.5 3.02 -9.85 -0.03 0
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227555 87561981 1 Cl2O2N6H20C21 A2B2C6D20E21 -4.76 5.04 -8.99 -1.32 0
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227556 87561982 1 N3O4F8H15C21 A3B4C8D15E21 -427.9 4.33 -10.07 -2.37 1
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227557 87561983 1 O2N3Cl4C25H28 A2B3C4D25E28 -32.57 2.23 0.0 0.0 0
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227560 87561986 2 NOC6H9 ABC6D9 -1.13 4.3 -9.17 -0.49 0
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227561 87561993 1 OSN5C24H33 ABC5D24E33 14.06 3.66 -8.14 -0.92 0
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227562 87561994 1 BSO4N5C22H30 ABC4D5E22F30 -167.19 4.8 -8.88 -0.6 0
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227563 87561995 1 SN2O3H16C17 AB2C3D16E17 -41.08 3.49 -8.85 -1.84 0
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227564 87561998 1 S2F3N5O7H32C34 A2B3C5D7E32F34 -259.63 9.17 -8.76 -1.63 0
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227565 87561999 1 N2O2C13H22 A2B2C13D22 -74.24 1.53 -9.14 0.19 1
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227566 87562003 1 O2N3Cl4C25H30 A2B3C4D25E30 -55.67 4.72 0.0 0.0 0
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227567 87562004 1 AsFO2N7C27H33 ABC2D7E27F33 -25.89 8.91 -7.37 -0.81 0
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227568 87562008 1 PSN2O7C22H31 ABC2D7E22F31 -335.34 4.4 -9.62 -0.65 0
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227569 87562009 1 SN3O4C33H55 AB3C4D33E55 -162.27 9.18 -9.1 -0.62 1
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227570 87562010 1 ON3C26H48 AB3C26D48 -62.68 4.66 0.0 0.0 1
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227571 87562011 1 BrCl2O2N3C23H27 AB2C2D3E23F27 -29.57 9.14 0.0 0.0 0