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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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226569 87544193 1 OSSiN2C11H21 ABCD2E11F21 -48.96 2.0 0.0 0.0 0
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226570 87544203 1 Cl2N3O5H11C16 A2B3C5D11E16 -70.55 2.66 -9.24 -1.8 0
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226571 87544208 2 N3O5C29H39 A3B5C29D39 -360.85 10.24 -8.8 -0.01 0
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226572 87544210 2 N3O5C29H38 A3B5C29D38 -334.9 9.07 -8.82 -0.11 0
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226573 87544221 1 OSN8C22H24 ABC8D22E24 77.91 5.65 -8.63 -0.97 0
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226574 87544224 1 ClF3O3N4C26H28 AB3C3D4E26F28 -225.48 4.2 -8.9 -0.89 0
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226575 87544225 1 BrClN3O5H11C16 ABC3D5E11F16 -68.99 2.77 -9.23 -1.8 0
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226576 87544226 2 O3C19H26 A3B19C26 -177.75 3.26 -8.88 0.14 0
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226577 87544228 1 NS2F3O5H22C24 AB2C3D5E22F24 -292.06 8.83 -8.46 -0.7 0
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226578 87544230 1 SN2O4C17H20 AB2C4D17E20 -127.8 7.69 -8.68 -0.84 0
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226579 87544231 1 SN2O3C17H18 AB2C3D17E18 -63.98 7.0 -8.67 -0.95 0
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226580 87544233 1 ClSN3O4H10C15 ABC3D4E10F15 -13.34 5.32 -9.14 -1.74 0
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226581 87544234 2 F2N2O3C29H38 A2B2C3D29E38 -484.12 4.56 -9.22 -0.85 0
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226582 87544236 1 SSiN2F3O5C32H43 ABC2D3E5F32G43 -402.84 6.13 -8.9 -1.26 0
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226583 87544237 1 N2O6C11H12 A2B6C11D12 -78.4 5.18 -11.07 -2.0 0
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226584 87544238 1 N2O4F5H21C23 A2B4C5D21E23 -331.2 3.01 -9.01 -1.29 0
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226585 87544248 1 F3N4O5H7C14 A3B4C5D7E14 -131.72 10.6 -9.16 -2.91 0
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226586 87544251 1 NO2C12H21 AB2C12D21 -109.59 6.41 -9.41 0.48 0
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226587 87544252 1 O3N5C8H9 A3B5C8D9 79.53 6.78 -10.02 -2.31 0
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226588 87544266 1 NO2C17H23 AB2C17D23 -72.16 1.24 -9.37 -0.09 0
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226589 87544276 1 ON2C6H14 AB2C6D14 -29.94 2.41 -8.54 -0.01 0
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226590 87544279 1 SN5O7H27C29 AB5C7D27E29 -74.12 10.21 -8.67 -1.4 -1
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226591 87544284 1 F3N4O6H28C32 A3B4C6D28E32 -173.61 6.53 0.0 0.0 0
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226592 87544290 1 RuC4O5H6 AB4C5D6 -114.47 4.25 -9.35 -4.63 0
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226593 87544303 1 N4F8O8C33H42 A4B8C8D33E42 -729.72 4.1 -9.3 -0.94 0
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226594 87544313 1 CoC2H2O3 AB2C2D3 -63.75 4.75 0.0 0.0 0
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226595 87544314 1 SF3N4O6H21C22 AB3C4D6E21F22 -304.75 5.61 -9.82 -1.36 0
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226596 87544322 1 N2O4F5H19C22 A2B4C5D19E22 -324.9 3.28 -9.14 -1.33 0
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226597 87544323 1 FNO2C11H12 ABC2D11E12 -110.67 3.69 -8.77 -0.59 0
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226598 87544329 1 SN3O4C25H33 AB3C4D25E33 -152.33 6.84 -8.24 -0.6 0
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226599 87544330 1 SN3O4C25H33 AB3C4D25E33 -56.5 2.2 -8.64 -1.12 0
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226600 87544334 1 ClN3O4H18C19 AB3C4D18E19 -46.6 4.87 -8.72 -1.74 0
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226601 87544337 1 SN2F3O5C26H29 AB2C3D5E26F29 -340.63 9.56 -8.89 -1.38 0
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226602 87544340 1 F3N3O5H10C16 A3B3C5D10E16 -159.34 13.04 -8.88 -2.5 0
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226603 87544343 2 NC3H6 AB3C6 32.73 1.85 -9.25 0.9 0
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226604 87544354 1 O2N5H21C22 A2B5C21D22 60.89 3.7 -7.91 -1.3 0
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226605 87544355 1 N5O5F6C32H37 A5B5C6D32E37 -479.92 12.2 -8.81 -0.62 0
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226607 87544363 1 SN4O4H30C32 AB4C4D30E32 -0.69 4.05 -8.27 -1.16 0
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226608 87544377 2 N2F3O4C17H23 A2B3C4D17E23 -629.65 2.6 -9.23 -1.13 0
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226609 87544382 1 NO5C11H19 AB5C11D19 -231.59 3.6 -9.58 -0.11 0
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226610 87544399 1 ClSN4O6C24H29 ABC4D6E24F29 -124.97 3.69 -9.38 -2.96 0
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226611 87544407 1 SF3O4N5C28H30 AB3C4D5E28F30 -232.87 4.32 -8.65 -0.96 0
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226612 87544408 1 BrClN4O5H10C15 ABC4D5E10F15 -11.73 11.8 -9.0 -2.63 0
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226613 87544414 1 ClN4O5H11C15 AB4C5D11E15 -8.38 13.43 -8.91 -2.46 2
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226614 87544416 2 O2N4C19H26 A2B4C19D26 -59.09 2.69 -8.61 -0.15 0
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226615 87544417 1 ClFSO4N5H27C30 ABCD4E5F27G30 -24.96 8.76 -8.59 -1.63 0
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226616 87544418 1 N4F7O8C34H45 A4B7C8D34E45 -688.97 3.88 -8.96 -1.24 0
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226617 87544435 1 NO3C11H13 AB3C11D13 -105.09 3.55 -9.65 -0.32 0
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226618 87544437 1 BrN4O5H9C14 AB4C5D9E14 -17.16 14.47 -8.83 -2.17 0
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226619 87544440 1 CoO4C5H6 AB4C5D6 -125.99 7.72 0.0 0.0 0