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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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170727 75271466 1 SN5O5C23H26 AB5C5D23E26 -130.25 5.52 0.0 0.0 1
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170728 75271467 1 SN4O4H21C24 AB4C4D21E24 -6.61 1.22 0.0 0.0 1
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170729 75271468 1 FSO3N4H16C22 ABC3D4E16F22 -15.49 1.76 0.0 0.0 1
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170730 75271469 1 SF2O3N4H15C22 AB2C3D4E15F22 -63.41 3.41 0.0 0.0 1
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170731 75271470 1 ClFSO3N4H15C22 ABCD3E4F15G22 -21.88 2.72 0.0 0.0 1
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170732 75271471 1 FSN4O4H18C23 ABC4D4E18F23 -53.55 0.94 0.0 0.0 0
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170733 75271472 1 FSN4O4H21C24 ABC4D4E21F24 -72.49 2.85 -9.2 -0.89 0
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170734 75271473 1 SO3N4H18C22 AB3C4D18E22 19.52 3.71 -9.16 -0.91 0
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170735 75271619 1 SO3N5C17H21 AB3C5D17E21 -40.37 7.05 -9.04 -0.91 0
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170736 75272297 1 N3O5C23H27 A3B5C23D27 -145.98 5.03 -8.66 -0.82 0
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170737 75272308 1 N3O6C23H25 A3B6C23D25 -173.77 4.47 -8.62 -0.71 0
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170738 75272721 1 SN3O5C25H31 AB3C5D25E31 -151.5 6.15 -9.32 -1.0 0
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170739 75273302 1 ON2S2C18H18 AB2C2D18E18 55.43 2.26 -8.64 -0.81 0
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170740 75273947 1 S3N4O8C21H32 A3B4C8D21E32 -335.09 4.36 -9.18 -1.41 0
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170741 75274696 4 OC4H6 AB4C6 -173.86 6.71 -10.49 -0.41 0
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170742 75274697 1 NF2O4C17H21 AB2C4D17E21 -264.95 1.28 -9.87 -0.84 0
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170743 75274698 1 F2N2O5C20H24 A2B2C5D20E24 -290.2 2.79 -9.54 -0.64 0
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170744 75274699 1 F2N2O5C20H28 A2B2C5D20E28 -330.91 3.9 -9.78 -0.42 0
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170745 75274700 1 O11C25H34 A11B25C34 -450.26 5.23 -8.57 -0.44 0
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170746 75274701 1 NO4C21H25 AB4C21D25 -110.81 3.94 -8.27 0.14 0
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170747 75274702 1 N2O3C20H24 A2B3C20D24 -67.26 5.4 -8.32 0.07 0
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170748 75276032 1 OF2N4C17H24 AB2C4D17E24 -113.75 4.09 -8.84 -0.36 0
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170749 75276230 1 SN3O7C33H47 AB3C7D33E47 -285.53 7.29 -8.47 -0.34 0
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170750 75276411 1 FSN6O8C17H17 ABC6D8E17F17 -283.32 6.99 -9.08 -1.36 0
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170751 75276412 1 ClN2O5H19C20 AB2C5D19E20 -148.17 4.61 -8.89 -1.17 0
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170752 75276717 1 FSN3O5C22H38 ABC3D5E22F38 -295.85 6.42 -9.51 -0.63 0
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170753 75276718 1 FS2N3O5C22H38 AB2C3D5E22F38 -291.06 6.01 -8.81 -0.61 0
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170754 75276719 1 S2N3O6C26H31 A2B3C6D26E31 -223.18 4.14 -9.22 -1.27 0
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170755 75276742 1 N5O7C40H61 A5B7C40D61 -323.81 4.35 -9.29 -0.7 0
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170756 75276743 1 N5O7C40H61 A5B7C40D61 -325.05 7.21 -9.43 -0.97 0
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170757 75276774 1 SN12O12C49H64 AB12C12D49E64 -450.12 6.5 -8.62 -0.5 0
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170758 75276794 1 O2F4N5H33C34 A2B4C5D33E34 -148.24 8.01 -8.74 -1.19 0
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170759 75276907 1 SO3N6C28H28 AB3C6D28E28 42.61 8.11 -8.61 -0.69 0
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170760 75277140 1 FSN3O5H22C26 ABC3D5E22F26 -126.83 7.57 -8.76 -0.8 0
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170761 75277141 1 FSN3O5H20C26 ABC3D5E20F26 -96.62 5.7 -8.83 -1.07 1
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170762 75277290 1 ON14C50H51 AB14C50D51 332.09 15.53 0.0 0.0 1
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170763 75277291 1 N10C34H39 A10B34C39 246.07 2.8 0.0 0.0 0
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170764 75277510 1 N3O3C16H17 A3B3C16D17 -71.91 4.45 -8.74 -1.3 0
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170765 75277525 1 ClN3O4H14C15 AB3C4D14E15 -101.88 7.45 -8.78 -1.42 0
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170766 75277538 1 N3O4C17H19 A3B4C17D19 -104.77 4.39 -8.93 -1.43 0
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170767 75277539 1 F2N3O3H13C15 A2B3C3D13E15 -150.61 5.81 -10.16 -1.37 0
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170768 75277617 1 N3O3C16H23 A3B3C16D23 -100.09 6.53 -10.07 -1.1 0
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170769 75277618 3 NOC7H11 ABC7D11 -106.42 8.67 -10.02 -1.13 0
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170770 75277619 1 N3O3C16H21 A3B3C16D21 -108.35 10.52 -9.6 -0.37 0
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170771 75277620 1 ClN3O3C16H20 AB3C3D16E20 -124.78 4.7 -9.84 -0.66 0
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170772 75277621 1 FN3O3C16H20 AB3C3D16E20 -159.92 8.41 -9.53 -0.71 0
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170773 75277622 1 N3O4C17H19 A3B4C17D19 -94.29 6.07 -9.14 -1.01 0
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170774 75277623 1 N3O4C17H19 A3B4C17D19 -94.73 6.14 -9.2 -1.02 0
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170775 75277635 1 O3N4C19H24 A3B4C19D24 -99.8 8.55 -8.67 -0.2 0
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170776 75277659 1 N3O4C17H19 A3B4C17D19 -97.96 3.06 -8.57 -1.15 0