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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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168512 74981339 1 N4O45C93H164 A4B45C93D164 -2185.24 9.04 -9.79 -0.77 0
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168513 74981569 1 O3N4C34H46 A3B4C34D46 -153.59 6.86 -8.55 -0.22 0
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168514 74981653 1 FO4C24H33 AB4C24D33 -156.34 7.81 -9.4 -0.96 0
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168515 74981946 1 SO3N5C25H27 AB3C5D25E27 0.91 8.56 -8.77 -1.23 0
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168516 74982009 1 N2O3C36H50 A2B3C36D50 -126.33 12.74 -9.35 -0.81 0
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168517 74982010 1 SN3O6C24H37 AB3C6D24E37 -235.8 4.97 -8.48 -0.84 -1
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168518 74982285 1 SP3N7O19C27H43 AB3C7D19E27F43 -985.84 14.1 0.0 0.0 0
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168519 74982389 1 FN2O4C17H21 AB2C4D17E21 -189.8 0.91 -9.46 -0.08 0
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168520 74982600 1 SO2N7C27H29 AB2C7D27E29 46.18 7.91 -9.41 -0.89 0
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168521 74982715 1 SO3N7C32H37 AB3C7D32E37 -19.03 9.38 -9.07 -0.96 0
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168522 74982716 2 OSN3C12H12 ABC3D12E12 59.29 9.29 -9.3 -1.11 0
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168523 74982717 1 SO2N8C30H30 AB2C8D30E30 83.72 6.78 -9.28 -0.59 0
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168524 74982718 1 SO4N6C30H32 AB4C6D30E32 -54.92 5.68 -9.28 -1.0 0
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168525 74982743 1 ClSO3N6C27H27 ABC3D6E27F27 2.58 3.95 -9.34 -0.79 0
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168526 74982744 1 FSO3N6C27H27 ABC3D6E27F27 -33.97 4.35 -9.35 -0.84 0
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168527 74982825 1 SO3N8C30H30 AB3C8D30E30 37.84 7.56 -9.58 -0.96 0
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168528 74982900 1 FN5O5C21H22 AB5C5D21E22 -144.73 7.71 -9.11 -1.98 0
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168529 74982901 1 F3N3O9H20C21 A3B3C9D20E21 -439.93 2.99 -9.84 -1.48 0
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168530 74982902 1 N3O7C19H19 A3B7C19D19 -201.23 3.33 -9.65 -1.53 0
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168531 74983236 1 SO2F4N7C21H23 AB2C4D7E21F23 -184.11 5.08 -8.42 -1.09 0
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168532 74983254 1 FOSN9C19H26 ABCD9E19F26 8.96 4.38 -8.5 -0.81 0
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168533 74983255 1 FOSN8C20H25 ABCD8E20F25 6.83 3.31 -8.92 -0.98 0
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168534 74983256 1 FOSN8C20H25 ABCD8E20F25 2.6 2.55 -8.82 -1.09 0
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168535 74983257 1 FOSN9C20H22 ABCD9E20F22 52.85 3.31 -9.01 -1.42 0
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168536 74983472 1 NOC28H49 ABC28D49 -52.96 0.58 -8.95 1.42 0
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168537 74983473 1 SO3N5C25H33 AB3C5D25E33 -55.51 6.09 -9.28 -1.02 0
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168538 74984152 1 FSN4O4C27H39 ABC4D4E27F39 -213.95 4.92 -9.41 -0.83 0
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168539 74984334 1 NSO4C30H35 ABC4D30E35 -93.88 6.09 -9.01 -1.1 0
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168540 74984478 1 N3S3O5C16H21 A3B3C5D16E21 -122.19 5.88 -9.29 -1.32 0
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168541 74984848 1 SO30N35C102H177 AB30C35D102E177 -1404.98 24.1 -8.6 -0.24 0
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168542 74985172 2 O2N3C15H19 A2B3C15D19 -96.22 5.17 -8.6 -0.13 0
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168543 74985488 1 FN2O4C31H41 AB2C4D31E41 -226.98 4.59 -9.25 -0.47 -1
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168544 74985489 1 ClNO2C15H21 ABC2D15E21 -95.12 3.66 0.0 0.0 0
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168545 74985691 1 NO6C37H59 AB6C37D59 -336.89 3.55 -9.72 0.37 0
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168546 74986139 1 N13O15C55H77 A13B15C55D77 -661.65 9.84 -9.4 -0.22 0
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168547 74986618 1 O4N5C36H47 A4B5C36D47 -119.37 3.36 -8.79 -0.37 0
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168548 74986673 1 N5O7C28H51 A5B7C28D51 -360.73 8.9 -9.99 -0.69 -2
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168549 74986828 1 Cl2N2O5C13H16 A2B2C5D13E16 -243.56 8.4 -10.31 -2.18 0
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168550 74986829 1 N2O5C13H16 A2B5C13D16 -190.22 9.52 -9.52 -0.44 -2
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168551 74986830 1 Cl2N2O5C13H16 A2B2C5D13E16 -251.86 4.3 -9.32 -0.3 0
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168552 74986831 1 N3O7C17H33 A3B7C17D33 -351.77 3.87 -9.72 0.71 0
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168553 74987100 1 ON3C23H31 AB3C23D31 12.17 9.91 -8.06 -0.6 0
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168554 74987269 2 NO6C20H36 AB6C20D36 -569.81 2.72 -8.56 0.31 0
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168555 74988548 1 O4N5C16H25 A4B5C16D25 -123.68 6.93 -9.74 -1.1 0
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168556 74988549 1 N5O5C21H29 A5B5C21D29 -172.99 4.04 -8.76 -0.37 0
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168557 74988550 1 NOF3C28H34 ABC3D28E34 -120.48 3.91 -9.35 -0.68 0
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168558 74988551 1 BrClN2O3H14C18 ABC2D3E14F18 -72.54 4.57 -8.6 -1.34 0
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168559 74988552 2 N4O4C27H31 A4B4C27D31 -271.42 5.9 -8.35 -0.04 0
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168560 74989439 1 ClNOC16H24 ABCD16E24 -58.46 5.14 -8.64 0.09 0
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168561 74989456 1 ON4C13H16 AB4C13D16 13.48 6.65 -8.41 0.22 0
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168562 74989457 1 BrON3C13H14 ABC3D13E14 17.32 6.63 -9.51 -0.22 1
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168563 74989510 1 OCl2N2C20H27 AB2C2D20E27 -31.02 4.92 0.0 0.0 -4
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168564 74989511 1 PN8O14C30H37 AB8C14D30E37 -418.95 13.99 -9.42 -1.88 0
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168565 74989512 1 PN8O14C30H41 AB8C14D30E41 -622.35 7.05 -8.7 -1.39 0
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168566 74989513 1 ClS3O6N8C16H17 AB3C6D8E16F17 -114.61 7.74 -9.25 -1.36 0
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168567 74989514 1 S3O5N9H15C16 A3B5C9D15E16 -38.48 2.34 -8.98 -1.0 1
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168568 74989515 1 OCl2N3C22H26 AB2C3D22E26 13.14 7.0 0.0 0.0 0
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168569 74989516 1 PN3O11C23H34 AB3C11D23E34 -499.13 6.35 -8.98 -0.59 0
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168570 74989517 1 ClO2N3H12C16 AB2C3D12E16 38.21 5.39 -9.07 -0.77 0
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168571 74989518 1 Cl4O4N5C38H49 A4B4C5D38E49 -141.72 9.84 -8.48 -0.97 0
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168572 74989519 1 O9C25H28 A9B25C28 -316.44 0.93 -8.65 -0.31 0
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168573 74989520 1 FO8C24H27 AB8C24D27 -317.75 4.72 -8.81 -0.41 0
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168574 74989521 1 N3O3H15C17 A3B3C15D17 5.59 6.76 -8.94 -0.68 0
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168575 74989522 1 O2N3H15C17 A2B3C15D17 33.39 3.61 -8.84 -0.99 0
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168576 74989523 1 O9C25H30 A9B25C30 -311.04 4.27 -8.85 -0.31 0
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168577 74989600 1 N3O5C24H35 A3B5C24D35 -240.48 3.26 -9.39 -0.5 0
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168578 74989771 1 NS2O5H21C22 AB2C5D21E22 -142.8 1.86 -9.18 -1.82 0
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168579 74989772 1 O10N22C69H86 A10B22C69D86 -257.59 10.12 -8.69 -0.28 0
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168580 74989812 1 O22N23C95H133 A22B23C95D133 -907.4 17.92 -8.56 -0.26 0
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168581 74990185 1 NNaSO8H14C16 ABCD8E14F16 -335.89 12.81 -8.86 -0.98 0
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168582 74990186 1 NSO8H15C16 ABC8D15E16 -272.73 5.21 -9.35 -1.07 0
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168583 74990684 1 N4O4C23H30 A4B4C23D30 -116.77 7.11 -9.31 -0.34 0
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168584 74990967 1 N4O5C14H20 A4B5C14D20 -146.88 3.46 -10.04 -1.13 0
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168585 74990968 1 S2O4N5H17C18 A2B4C5D17E18 -42.59 1.53 -9.23 -1.4 0
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168586 74990974 1 S2N9O9C45H57 A2B9C9D45E57 -276.73 13.43 -8.63 -2.03 0
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168587 74991008 1 O3N4C34H42 A3B4C34D42 -91.48 3.74 -9.18 -0.31 0
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168588 74991644 1 O5N6C33H48 A5B6C33D48 -221.65 10.52 -8.99 -0.8 0
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168589 74991766 1 SN5O5C30H43 AB5C5D30E43 -210.87 3.52 -8.46 0.02 0
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168590 74991767 1 N5O5C31H45 A5B5C31D45 -228.67 3.9 -8.6 -0.13 0
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168591 74991768 1 O5N7C32H45 A5B7C32D45 -205.68 2.64 -8.57 -0.09 0
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168592 74991769 1 NSCl2O8H25C27 ABC2D8E25F27 -249.29 8.54 -8.71 -1.52 0
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168593 74991812 1 N11O17C50H89 A11B17C50D89 -814.99 11.94 -9.57 -0.6 0
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168594 74992138 1 O9N13C53H69 A9B13C53D69 -349.64 12.67 -8.8 -0.39 0
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168595 74992139 1 SN7O9H35C38 AB7C9D35E38 -234.06 4.09 -9.34 -0.89 0
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168596 74992140 1 PN5O8C21H30 AB5C8D21E30 -360.48 8.28 -9.58 -0.39 0
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168597 74992528 1 N6O6C27H44 A6B6C27D44 -299.38 2.37 -9.44 0.04 0
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168598 74992714 1 NO13C40H53 AB13C40D53 -486.37 14.05 -9.66 -0.57 0
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168599 74992956 1 N3O6C27H37 A3B6C27D37 -224.43 1.34 -8.62 -0.12 0
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168600 74993381 1 SN3O3C28H33 AB3C3D28E33 -68.18 8.14 -9.24 -0.9 0
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168601 74993382 1 SN3O3C30H33 AB3C3D30E33 -54.42 6.88 -8.83 -1.48 0
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168602 74993383 1 O14C37H50 A14B37C50 -521.59 5.32 -9.36 -2.61 0
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168603 74994139 1 SN24O34C89H144 AB24C34D89E144 -1642.39 9.52 -8.91 -0.24 0
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168604 74994140 1 O2N3C6H11 A2B3C6D11 -97.88 4.94 -10.39 -0.01 0
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168605 74994237 1 S2O18N32C87H134 A2B18C32D87E134 -586.11 9.39 -8.77 -0.88 0
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168606 74994238 1 ClN2O2H17C18 AB2C2D17E18 -2.75 8.63 -9.16 -1.64 0
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168607 74994239 1 S2N5O7C33H51 A2B5C7D33E51 -300.88 6.1 -8.65 -0.34 0
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168608 74994240 1 N3O11C52H67 A3B11C52D67 -310.35 9.21 -8.28 -1.19 0
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168609 74994241 1 N3O11C50H73 A3B11C50D73 -416.82 5.34 -8.96 -1.2 0
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168610 74994242 1 N13O21C55H71 A13B21C55D71 -792.66 12.48 -9.34 -1.37 0
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168611 74994464 1 N3O27C82H89 A3B27C82D89 -999.65 9.2 -8.65 -1.7 1