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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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141926 52953594 1 SO3N6C27H36 AB3C6D27E36 -65.02 7.25 -8.77 -1.07 0
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141927 52953595 1 O2N3H17C20 A2B3C17D20 26.62 2.81 -9.12 -0.84 0
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141928 52953782 1 SN3F6H7C10 AB3C6D7E10 -258.04 3.15 -9.17 -1.76 1
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141929 52954287 1 N4O5C27H27 A4B5C27D27 -90.64 4.86 0.0 0.0 1
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141930 52954322 1 N4O5H27C29 A4B5C27D29 -86.2 3.47 0.0 0.0 1
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141931 52954323 1 N4O5H27C29 A4B5C27D29 -87.29 7.5 0.0 0.0 1
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141932 52954324 1 N4O5H29C31 A4B5C29D31 -80.33 4.74 0.0 0.0 1
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141933 52954325 1 N4O6C23H23 A4B6C23D23 -130.12 7.81 0.0 0.0 1
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141934 52954326 1 SN4O5C23H23 AB4C5D23E23 -98.73 4.02 0.0 0.0 1
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141935 52954327 1 ClN4O5H24C25 AB4C5D24E25 -114.15 4.84 0.0 0.0 0
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141936 52954621 1 ClNO7C21H22 ABC7D21E22 -87.87 11.06 -9.77 -2.64 0
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141937 52954702 1 NO4C23H25 AB4C23D25 -108.29 5.68 -8.57 -0.56 0
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141938 52954900 1 BNO3F4C27H34 ABC3D4E27F34 -438.18 11.93 -8.62 -1.44 0
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141939 52954901 1 NO3C27H33 AB3C27D33 -67.77 2.78 -8.15 -0.29 0
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141940 52954947 1 NO2C19H25 AB2C19D25 -64.57 4.01 -9.07 -0.6 0
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141941 52955059 1 ClNO7C20H26 ABC7D20E26 -109.9 11.74 -10.36 -2.52 0
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141942 52955510 1 SO2F3N6H23C30 AB2C3D6E23F30 -57.99 5.39 -9.14 -1.62 0
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141943 52955514 1 ON3H15C20 AB3C15D20 112.1 3.29 -8.92 -1.48 0
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141944 52955787 1 SO3N5C28H29 AB3C5D28E29 -12.91 4.36 -8.6 -1.18 0
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141945 52955790 1 ClON3C21H24 ABC3D21E24 5.21 4.32 -8.32 0.01 0
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141946 52955791 1 ClON3H20C23 ABC3D20E23 85.14 2.3 -8.81 -1.31 1
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141947 52955906 1 O2N6C26H31 A2B6C26D31 6.95 5.01 0.0 0.0 0
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141948 52955907 2 ON3C9H12 AB3C9D12 42.41 5.98 -8.15 -0.97 0
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141949 52956494 1 SN3O3H19C21 AB3C3D19E21 -31.15 8.74 -8.81 -1.87 0
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141950 52956495 1 SO2N6H24C29 AB2C6D24E29 104.67 5.99 -9.09 -1.38 0
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141951 52956607 1 N5H21C28 A5B21C28 204.07 5.66 -8.55 -1.39 0
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141952 52956608 1 SO2N4C27H28 AB2C4D27E28 32.35 9.45 -8.96 -1.13 1
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141953 52956609 1 SN4O4C24H35 AB4C4D24E35 -151.24 5.13 0.0 0.0 0
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141954 52956610 2 O2N4C8H9 A2B4C8D9 -4.0 7.21 -9.33 -2.1 0
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141955 52957142 1 ON6C20H28 AB6C20D28 -0.85 5.19 -8.6 0.14 1
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141956 52957218 1 SO2N10C25H27 AB2C10D25E27 99.48 1.45 0.0 0.0 0
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141957 52958414 1 SO2N4C19H20 AB2C4D19E20 58.53 5.84 -9.08 -1.99 0
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141958 52958415 1 FSO3N4H17C22 ABC3D4E17F22 14.44 3.47 -8.81 -2.25 0
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141959 52958530 1 O2N3H13C17 A2B3C13D17 60.18 1.74 -8.51 -1.45 0
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141960 52958647 1 ON4C17H30 AB4C17D30 -54.04 1.77 -8.12 0.3 0
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141961 52959277 1 ClSO2N4H19C23 ABC2D4E19F23 80.91 5.09 -9.1 -1.95 0
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141962 52959312 1 FSN3O4H20C21 ABC3D4E20F21 -102.16 4.97 -8.76 -1.13 0
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141963 52959545 1 ClSN3O3C14H14 ABC3D3E14F14 -56.03 7.81 -9.38 -1.24 0
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141964 52959546 1 O2N4C21H30 A2B4C21D30 -47.61 1.43 -8.24 -0.03 0
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141965 52959547 2 ON2C11H16 AB2C11D16 -58.3 4.77 -8.2 -0.6 1
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141966 52959548 1 N5O6H24C25 A5B6C24D25 -77.74 2.11 0.0 0.0 0
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141967 52959549 1 SO3N4C18H18 AB3C4D18E18 30.8 2.36 -9.35 -2.19 0
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141968 52959563 1 ON7C18H29 AB7C18D29 -10.76 6.98 -8.7 0.24 0
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141969 52959638 1 ON4C22H32 AB4C22D32 -23.28 2.72 -8.12 -0.45 0
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141970 52959748 1 O3N6H26C27 A3B6C26D27 27.81 1.26 -8.52 -1.05 1
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141971 52960196 1 ClO3N4C25H30 AB3C4D25E30 -57.53 7.29 0.0 0.0 1
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141972 52960197 1 O3N4C25H29 A3B4C25D29 -50.91 5.17 0.0 0.0 0
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141973 52960335 1 FSN2O3H13C19 ABC2D3E13F19 -45.63 8.35 -9.17 -1.95 0
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141974 52960336 1 ON7C23H33 AB7C23D33 32.17 5.28 -8.11 0.22 0
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141975 52960337 1 SO3N4C15H18 AB3C4D15E18 -59.51 7.74 -8.95 -1.48 0
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141976 52960338 1 ClO3N4H13C15 AB3C4D13E15 -9.41 7.3 -10.21 -1.76 1
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141977 52960804 1 O4N6C21H31 A4B6C21D31 -113.05 5.72 0.0 0.0 1
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141978 52961169 1 SO2N5C21H28 AB2C5D21E28 -44.48 7.59 0.0 0.0 0
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141979 52961236 1 ClO4N6H17C21 AB4C6D17E21 5.69 4.86 -9.3 -1.67 0
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141980 52961442 1 ClN8C19H25 AB8C19D25 82.0 4.22 -8.66 -0.21 1
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141981 52961449 1 O4N5C23H26 A4B5C23D26 -87.93 3.63 0.0 0.0 0
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141982 52961450 1 O2N7C22H31 A2B7C22D31 14.16 4.33 -8.36 0.15 1
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141983 52962557 1 ClSO3N4C16H16 ABC3D4E16F16 -89.92 4.13 0.0 0.0 1
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141984 52962558 1 SO2N4C24H43 AB2C4D24E43 -126.43 4.59 0.0 0.0 1
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141985 52962559 1 BrO5N6C22H22 AB5C6D22E22 -74.51 4.27 0.0 0.0 0
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141986 52962560 1 BrSN3O3H22C23 ABC3D3E22F23 -39.08 4.05 -9.19 -1.69 1
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141987 52962561 1 O2N5C12H18 A2B5C12D18 -33.79 6.89 0.0 0.0 1
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141988 52962754 1 O2N6C25H29 A2B6C25D29 8.73 6.24 0.0 0.0 1
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141989 52962798 1 O4N6C26H31 A4B6C26D31 -75.95 4.49 0.0 0.0 0
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141990 52963252 1 ClSN2C9H11 ABC2D9E11 46.2 10.38 -8.14 -1.29 0
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141991 52963274 2 ON2H3C4 AB2C3D4 96.65 4.25 -8.06 -2.4 1
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141992 52964290 1 N4O5C29H29 A4B5C29D29 -101.51 8.71 0.0 0.0 0
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141993 52964773 1 OS2N6C14H18 AB2C6D14E18 59.4 3.44 -8.68 -1.28 0
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141994 52964942 1 OS2N6C21H24 AB2C6D21E24 85.8 4.24 -8.76 -1.3 0
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141995 52964964 1 SN4C7H12 AB4C7D12 71.96 5.11 -8.59 -0.49 0
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141996 52965283 1 SN3O3C17H17 AB3C3D17E17 -40.37 10.04 -9.96 -1.38 0
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141997 52965679 1 SN3O4C26H27 AB3C4D26E27 -87.39 4.37 -8.38 -1.19 0
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141998 52965972 1 S2N3O4C19H21 A2B3C4D19E21 -43.98 10.9 -9.08 -1.37 0
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141999 52965973 1 SN3O5H17C18 AB3C5D17E18 -64.62 7.51 -9.35 -1.15 0
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142000 52966358 1 F2S2N3O3C21H27 A2B2C3D3E21F27 -196.77 7.28 -9.15 -1.31 0
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142001 52966359 1 F2S2N3O4C20H25 A2B2C3D4E20F25 -230.59 7.74 -9.17 -1.36 0
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142002 52966360 1 F2S2N3O3C20H25 A2B2C3D3E20F25 -191.96 9.76 -9.17 -1.33 0
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142003 52966706 1 S2N3O4C23H33 A2B3C4D23E33 -141.0 13.49 -9.09 -0.93 0
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142004 52967586 1 FSN2O3C23H33 ABC2D3E23F33 -167.2 2.01 -8.77 -0.37 0
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142005 52967842 1 N2S2O4C19H24 A2B2C4D19E24 -106.49 6.26 -8.8 -0.54 0
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142006 52968319 1 SN2O4C19H24 AB2C4D19E24 -136.59 2.7 -8.81 -0.68 0
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142007 52968320 1 SN2O4C19H24 AB2C4D19E24 -140.6 2.79 -8.98 -0.56 0
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142008 52968373 1 S2N3O7C22H29 A2B3C7D22E29 -257.18 11.54 -9.43 -1.26 0
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142009 52968374 1 S2N3O7C26H37 A2B3C7D26E37 -285.69 10.94 -9.37 -1.08 0
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142010 52968389 1 BrSN2O5C19H21 ABC2D5E19F21 -184.25 4.31 -8.36 -0.77 0
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142011 52968390 1 SN2O6C20H24 AB2C6D20E24 -218.14 3.3 -8.98 -0.53 0
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142012 52968538 1 S2N3O6C18H23 A2B3C6D18E23 -203.14 8.61 -8.84 -0.68 0
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142013 52968572 1 N3S3O5C17H21 A3B3C5D17E21 -150.44 5.68 -8.86 -1.15 0
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142014 52968576 1 S2N3O7C19H23 A2B3C7D19E23 -249.22 7.29 -9.13 -1.28 0
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142015 52968602 1 S2N3O5C21H23 A2B3C5D21E23 -151.29 6.48 -8.87 -0.96 0
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142016 52968645 1 SN3O4C21H27 AB3C4D21E27 -159.43 2.69 -9.22 -0.66 0
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142017 52968719 1 BrSN2O4C19H23 ABC2D4E19F23 -139.05 4.45 -8.62 -0.8 0
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142018 52968917 1 SN3O6C23H25 AB3C6D23E25 -211.67 3.8 -9.09 -1.56 0
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142019 52969288 1 SN3O6C25H29 AB3C6D25E29 -104.39 6.07 -8.23 -1.51 0
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142020 52969318 1 ClSN3O5C23H24 ABC3D5E23F24 -136.5 6.6 -8.52 -0.97 0
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142021 52969417 1 SN3O5C17H21 AB3C5D17E21 -91.84 10.74 -9.02 -1.62 0
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142022 52969493 1 ClSN2O3C19H19 ABC2D3E19F19 -71.76 9.79 -9.27 -1.18 0
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142023 52969494 1 SN2O4C21H24 AB2C4D21E24 -111.78 9.69 -9.09 -1.1 0
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142024 52969495 1 SN2O5C21H24 AB2C5D21E24 -142.89 9.71 -9.06 -1.14 0
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142025 52969496 1 SCl2N2O3H16C18 AB2C2D3E16F18 -86.76 3.19 -9.45 -1.38 0