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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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176952 76116587 1 F2O3N4H24C25 A2B3C4D24E25 -151.64 1.55 -9.68 -1.78 0
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176953 76116668 1 O7C27H50 A7B27C50 -407.43 4.83 -10.14 0.26 1
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176954 76116669 1 S2N7O7H20C22 A2B7C7D20E22 -104.93 6.94 0.0 0.0 0
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176955 76116670 1 SO5C18H36 AB5C18D36 -291.19 2.25 -10.8 0.06 0
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176956 76116836 1 N2O6C25H30 A2B6C25D30 -231.4 5.85 -9.29 -0.55 0
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176957 76117045 2 OC15H24 AB15C24 -146.8 1.4 -8.41 0.68 0
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176958 76117202 1 SO2N3C7H9 AB2C3D7E9 1.9 3.81 -9.75 -2.98 0
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176959 76117251 1 SO5N8C19H22 AB5C8D19E22 -72.12 8.64 -9.09 -2.21 1
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176960 76117559 1 P3C5H12O15 A3B5C12D15 -797.17 4.55 0.0 0.0 0
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176961 76117612 1 O2F3C20H33 A2B3C20D33 -297.04 4.09 -10.65 0.29 0
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176962 76117613 1 N2O2C23H46 A2B2C23D46 -160.87 2.64 -8.92 1.1 0
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176963 76118313 1 SF3O5C24H35 AB3C5D24E35 -421.07 1.06 -8.7 -0.6 0
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176964 76118314 1 SN2O4H16C19 AB2C4D16E19 -40.1 3.5 -9.1 -0.76 0
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176965 76118533 1 SN5O9C37H39 AB5C9D37E39 -248.97 8.7 -9.24 -0.98 0
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176966 76118907 1 N2O6C29H32 A2B6C29D32 -217.37 3.56 -9.05 -0.6 0
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176967 76118949 2 OC6H9 AB6C9 -59.0 2.16 -10.25 0.69 0
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176968 76119236 1 NO4C29H41 AB4C29D41 -189.74 5.27 -8.52 -0.24 0
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176969 76119289 1 N5O7C20H21 A5B7C20D21 -186.68 5.85 -9.1 -1.28 0
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176970 76119407 1 ON2C30H52 AB2C30D52 -115.4 2.02 -8.33 2.61 0
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176971 76119664 1 OC27H44 AB27C44 -23.85 3.44 -7.6 0.51 0
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176972 76119665 1 N2O5C34H46 A2B5C34D46 -182.09 3.3 -8.13 -0.2 0
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176973 76119918 1 SO5C16H26 AB5C16D26 -207.42 3.93 -8.76 0.46 0
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176974 76120148 2 NO2C8H8 AB2C8D8 -131.48 2.78 -8.76 -0.43 0
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176975 76120287 1 F3N3O4C20H28 A3B3C4D20E28 -327.55 5.34 -10.18 -0.73 0
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176976 76120550 1 NSiF4O4C20H23 ABC4D4E20F23 -352.35 5.73 -9.17 -1.08 0
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176977 76120583 1 FO3N7C26H26 AB3C7D26E26 -20.39 4.66 -8.65 -1.04 0
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176978 76121274 1 SN2O4C16H24 AB2C4D16E24 -174.11 3.14 -9.18 -0.91 0
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176979 76121676 1 O2N3C22H33 A2B3C22D33 -56.24 3.39 -8.21 0.22 0
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176980 76121824 1 P2N5C10O12H15 A2B5C10D12E15 -560.66 4.24 -9.72 -1.69 0
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176981 76121905 1 SN5O6C36H45 AB5C6D36E45 -214.85 8.35 -8.84 -0.56 0
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176982 76121906 1 Cl2N3O3H19C21 A2B3C3D19E21 -84.61 3.2 -9.35 -0.87 0
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176983 76122009 1 FN3O6C35H38 AB3C6D35E38 -237.92 5.2 -8.69 -0.13 0
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176984 76122167 1 S2O6N12C21H24 A2B6C12D21E24 -11.28 7.25 -9.22 -1.33 0
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176985 76122168 1 NSO4C11H15 ABC4D11E15 -134.77 6.11 -9.62 -0.71 0
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176986 76122169 2 N2O2C17H22 A2B2C17D22 -131.36 2.67 -8.85 -0.4 0
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176987 76122248 1 ON2C14H22 AB2C14D22 -48.39 3.38 -9.48 0.22 1
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176988 76123326 1 O2N6H7C8 A2B6C7D8 111.91 6.22 0.0 0.0 0
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176989 76123327 1 ON4C23H24 AB4C23D24 101.03 6.59 -8.89 -0.66 0
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176990 76123332 1 O7C63H78 A7B63C78 -228.84 6.36 -8.48 -0.45 0
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176991 76123333 1 N4O5C28H38 A4B5C28D38 -211.16 5.07 -8.78 -0.43 1
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176992 76123334 1 N4O4C16H25 A4B4C16D25 -142.95 1.89 0.0 0.0 0
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176993 76123335 1 OS2N4C10H10 AB2C4D10E10 68.12 1.45 -9.27 -1.29 0
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176994 76123336 1 N2S2O9C19H22 A2B2C9D19E22 -240.56 5.68 -8.88 -1.41 0
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176995 76123359 1 BrOC28H43 ABC28D43 -87.35 4.56 -8.6 -0.28 0
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176996 76123360 1 S3O7N10H18C21 A3B7C10D18E21 -29.41 12.92 -9.37 -1.44 0
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176997 76123361 1 N2O6C13H16 A2B6C13D16 -208.16 5.04 -9.57 -0.4 0
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176998 76123390 1 O5C14H16 A5B14C16 -180.46 4.6 -9.02 -0.34 0
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176999 76123807 1 NOC24H33 ABC24D33 -17.16 6.26 -8.48 -1.04 0
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177000 76123808 1 NO4C19H27 AB4C19D27 -85.96 2.56 -8.7 -0.52 0
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177001 76123902 1 OF2C30H50 AB2C30D50 -227.03 3.56 -10.01 0.42 0