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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