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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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164495 74406756 1 O3N6C28H56 A3B6C28D56 -220.45 6.04 -9.51 0.59 1
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164496 74406968 1 ClSO3N4C22H28 ABC3D4E22F28 -21.81 13.98 0.0 0.0 0
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164497 74407070 1 PSN2O11C28H41 ABC2D11E28F41 -526.73 5.39 -8.93 -0.29 0
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164498 74407071 1 PSN2O10C17H29 ABC2D10E17F29 -498.09 3.89 -10.68 -0.52 0
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164499 74407072 1 PSN2O10C11H17 ABC2D10E11F17 -474.46 2.42 -10.31 -0.68 0
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164500 74407073 1 PSN2O10C11H19 ABC2D10E11F19 -494.27 4.23 -10.26 -0.26 0
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164501 74407272 1 PH19C22 AB19C22 94.87 1.26 -8.54 -0.27 0
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164502 74407273 1 N4C9H18 A4B9C18 15.93 2.91 -8.7 1.2 0
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164503 74407274 1 N3O4C18H19 A3B4C18D19 -132.38 3.35 -9.19 -0.99 0
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164504 74407275 1 NO8C22H33 AB8C22D33 -359.72 3.86 -9.62 -0.07 2
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164505 74407470 1 PtN2Cl4C6H14 AB2C4D6E14 1.82 2.12 -9.67 -4.01 0
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164506 74408150 1 N4O8C35H40 A4B8C35D40 -266.4 5.41 -9.6 -1.0 0
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164507 74408704 1 O3H20C21 A3B20C21 -46.33 2.4 -8.6 -0.76 0
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164509 74409317 1 N4O5C11H12 A4B5C11D12 -30.2 9.46 -9.92 -1.99 0
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164510 74409318 1 N3O5C18H25 A3B5C18D25 -161.3 10.92 -9.47 -1.14 0
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164511 74409359 1 SN11O12C51H83 AB11C12D51E83 -611.97 4.13 -8.63 -0.14 0
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164513 74410443 1 O3C12H22 A3B12C22 -172.74 2.98 -10.18 0.38 0
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164515 74410958 1 N5O5C32H41 A5B5C32D41 -138.44 10.33 -8.25 -0.08 0
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164516 74411176 1 Cl5N16O24C103H131 A5B16C24D103E131 -1038.99 10.12 -9.41 -0.53 0
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164517 74411177 1 Cl5N16O24C106H129 A5B16C24D106E129 -1001.78 7.59 -9.44 -0.62 0
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164518 74411178 1 Cl4N16O23C103H132 A4B16C23D103E132 -991.33 12.53 -9.17 -0.4 0
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164521 74411181 1 Cl5N17O24C114H134 A5B17C24D114E134 -963.68 12.52 -8.72 -0.65 0
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164522 74411182 1 Cl5N16O24C102H129 A5B16C24D102E129 -1026.67 13.55 -9.37 -0.61 0
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164524 74411259 1 F3O3N4C20H21 A3B3C4D20E21 -208.56 5.75 -9.2 -1.46 0
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164525 74412312 1 O3N4C26H34 A3B4C26D34 -103.14 4.49 -9.24 0.22 1
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164526 74412507 1 NO5C22H28 AB5C22D28 -136.18 5.23 0.0 0.0 0
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164527 74412508 1 BrSiN4O6C40H57 ABC4D6E40F57 -309.13 4.36 -8.52 -0.19 0
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164528 74412633 1 ClINaS2N6O7C29H37 ABCD2E6F7G29H37 -255.87 8.73 -8.46 -0.94 0
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164529 74412634 1 O3N9C25H33 A3B9C25D33 -42.11 2.26 -8.15 -0.59 0
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164530 74412881 1 O23C59H88 A23B59C88 -1021.22 10.6 -9.08 -1.13 0
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164531 74413086 1 NSiO2F3C15H20 ABC2D3E15F20 -181.14 3.13 -9.96 -1.5 1
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164532 74413463 1 NO14C45H74 AB14C45D74 -618.47 16.52 0.0 0.0 -1
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164533 74413585 1 N2O19C25H41 A2B19C25D41 -854.53 6.18 0.0 0.0 -8
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164534 74414011 1 N4O17C45H46 A4B17C45D46 -561.88 14.85 -8.72 -1.16 1
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164535 74414387 1 O3N4C23H35 A3B4C23D35 -97.26 8.22 0.0 0.0 1
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164536 74414440 1 ClOSN3C19H23 ABCD3E19F23 2.44 8.68 0.0 0.0 1
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164537 74414441 1 O2N5H20C25 A2B5C20D25 75.56 5.28 0.0 0.0 1
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164538 74414442 1 FO2N4C22H28 AB2C4D22E28 -52.2 4.09 0.0 0.0 0
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164539 74414443 1 FO2N4C22H27 AB2C4D22E27 -78.44 7.24 -9.05 -0.5 1
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164541 74414757 1 ClFON3C18H27 ABCD3E18F27 3.42 8.25 -4.19 -1.11 0
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164542 74414758 1 N2F3O5H17C21 A2B3C5D17E21 -245.8 4.0 -9.68 -1.04 1
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164543 74414759 1 N2O3C18H25 A2B3C18D25 -61.42 1.05 0.0 0.0 2
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164545 74414799 1 FN2O2C18H26 AB2C2D18E26 -101.23 3.25 0.0 0.0 1
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164546 74414800 1 FON4C19H26 ABC4D19E26 -26.85 5.71 0.0 0.0 0
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164547 74414801 1 FO3N4C21H31 AB3C4D21E31 -155.84 9.28 -8.79 0.04 1
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164549 74414803 1 SO3N4C18H31 AB3C4D18E31 -115.23 8.97 0.0 0.0 1
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164550 74414985 1 O2N6C23H23 A2B6C23D23 105.2 19.47 0.0 0.0 0
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164551 74415249 2 NO3C12H16 AB3C12D16 -148.72 9.84 -8.41 -1.48 1
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164552 74415616 1 SN4C22H27 AB4C22D27 96.87 11.48 0.0 0.0 0
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164554 74415618 1 FO2N4C26H36 AB2C4D26E36 -56.57 4.19 0.0 0.0 -1
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164555 74415887 1 N2O3C15H15 A2B3C15D15 -57.42 1.37 0.0 0.0 1
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164556 74415932 1 F2O2N4C20H29 A2B2C4D20E29 -109.94 13.64 0.0 0.0 1
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164557 74415947 1 SO2N7C22H26 AB2C7D22E26 58.99 4.31 0.0 0.0 0
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164559 74416217 1 FO2N4C17H24 AB2C4D17E24 -81.03 7.1 0.0 0.0 1
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164561 74416295 1 FON4C25H41 ABC4D25E41 -45.42 13.64 -7.58 0.15 2
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164563 74417072 1 SO2N6C26H29 AB2C6D26E29 72.68 1.72 0.0 0.0 0
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164564 74417209 1 O3N5H29C30 A3B5C29D30 -4.93 6.42 -8.85 -1.17 1
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164565 74417461 1 OSN5C20H24 ABC5D20E24 67.18 1.39 0.0 0.0 1
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164566 74417462 1 ON2C23H35 AB2C23D35 -28.41 4.23 0.0 0.0 0
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164567 74417464 1 SN2O4C22H30 AB2C4D22E30 -133.69 6.24 -9.13 -0.21 1
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164568 74417561 1 FON4C27H32 ABC4D27E32 4.04 8.24 0.0 0.0 1
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164569 74417562 1 O2N6C21H23 A2B6C21D23 76.29 5.63 0.0 0.0 1
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164571 74417946 1 OSN2C20H27 ABC2D20E27 69.88 1.0 0.0 0.0 2
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164572 74418179 1 OSN3C23H39 ABC3D23E39 -3.1 25.64 -5.11 -1.12 1
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164573 74418573 1 ON3C18H26 AB3C18D26 12.18 6.11 0.0 0.0 2
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164574 74418684 1 FON2C20H31 ABC2D20E31 -78.85 2.99 -8.82 -0.39 1
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164576 74418908 1 N2O3C20H30 A2B3C20D30 -133.62 2.38 -8.67 -0.2 0
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164577 74418909 1 N3O3C22H35 A3B3C22D35 -140.19 4.81 -8.43 0.04 0
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164578 74418910 1 N3O3C22H35 A3B3C22D35 -135.14 3.9 -8.42 0.05 0
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164579 74419156 1 F3N3O3C26H36 A3B3C3D26E36 -287.34 7.71 -9.09 -0.6 0
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164581 74419945 1 ClOS2N3H20C21 ABC2D3E20F21 38.64 5.52 -8.2 -0.82 1
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164582 74420017 1 N3O4C20H28 A3B4C20D28 -139.46 4.85 0.0 0.0 0
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164583 74420323 1 FPN2O7C10H16 ABC2D7E10F16 -429.22 3.38 -10.35 -0.16 0
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164584 74420947 1 OF3N5C20H20 AB3C5D20E20 -99.99 5.73 -9.63 -1.08 0
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164587 74422176 4 NOC6H7 ABC6D7 -49.38 8.45 -9.12 -2.26 0
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164588 74422233 1 N8O14C37H52 A8B14C37D52 -600.05 12.97 -9.09 -0.45 0
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164589 74422307 1 ClO3H15C19 AB3C15D19 -53.58 2.21 -9.14 -1.16 0
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164590 74422308 1 O3H18C20 A3B18C20 -53.66 3.16 -9.14 -0.83 0
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164592 74422310 1 ClSO4N6H21C24 ABC4D6E21F24 5.71 4.64 -9.19 -1.47 0
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164593 74422311 1 ON3F4C23H25 AB3C4D23E25 -208.55 4.49 -8.68 -1.4 0
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164594 74422365 1 SiN3O7C20H33 AB3C7D20E33 -340.57 3.6 -8.86 -1.0 0
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164595 74422366 1 FN2O4H33C37 AB2C4D33E37 -112.66 2.29 -8.83 -0.66 0
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164598 74423697 1 BrON6C13H16 ABC6D13E16 58.39 2.22 0.0 0.0 1
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164600 74423699 2 N2O3C8H12 A2B3C8D12 -224.42 11.19 -9.18 -0.57 0
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164601 74423700 2 NO3C8H12 AB3C8D12 -232.67 8.29 -9.02 -0.92 0
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164604 74424110 1 F4O5H16C17 A4B5C16D17 -396.33 4.52 -9.16 -0.77 0
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164605 74424858 1 N10O17C42H66 A10B17C42D66 -807.71 10.01 -9.4 -0.43 0
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164606 74424909 1 O2N9H15C19 A2B9C15D19 128.84 7.5 -9.55 -1.67 0
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164608 74426007 1 PZnN8O8C109H139 ABC8D8E109F139 -119.1 11.64 -8.77 -1.69 0
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164609 74426008 1 PN8O8C109H141 AB8C8D109E141 -193.62 5.7 -7.68 -1.21 0
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164610 74426009 1 BNO3C20H20 ABC3D20E20 -105.03 3.34 -9.56 -0.62 0
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164611 74426010 1 BN2O3C18H19 AB2C3D18E19 -89.45 2.33 -8.95 -0.72 0
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164612 74426147 1 F3N8O33C77H115 A3B8C33D77E115 -1679.67 10.79 -9.64 -0.53 0
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164613 74426160 1 N2O5C12H24 A2B5C12D24 -260.97 2.71 -10.0 0.34 0
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164614 74426714 2 ON4C21H25 AB4C21D25 67.08 2.57 -9.08 -0.4 0
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164615 74426715 1 O22C57H86 A22B57C86 -922.09 10.59 -6.64 -1.25 0
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164616 74426716 3 OC10H16 AB10C16 -15.9 3.49 -6.71 -1.54 0
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164617 74426768 1 PN2O17C58H111 AB2C17D58E111 -1031.56 7.34 -10.44 0.21 0
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164618 74426789 1 FN2O6H17C19 AB2C6D17E19 -126.81 6.36 -9.67 -1.43 0
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164619 74426814 1 N4O5C15H30 A4B5C15D30 -229.31 1.46 -8.66 0.31 0