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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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137512 52218658 1 N2O3C22H26 A2B3C22D26 -94.45 6.19 -8.62 -0.17 0
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137513 52218664 1 N2O3C20H22 A2B3C20D22 -39.37 0.86 -8.93 -0.78 0
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137514 52218665 1 N2O3C20H22 A2B3C20D22 -38.42 3.11 -8.97 -0.57 0
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137515 52218666 1 NSO4C20H25 ABC4D20E25 -136.76 6.72 -9.09 -0.25 0
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137516 52218728 1 SN2O2C21H24 AB2C2D21E24 -29.68 3.6 -9.19 -0.84 0
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137517 52218938 1 FO2N5H22C23 AB2C5D22E23 -10.8 3.88 -9.17 -1.12 0
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137518 52219034 1 N3O4C19H29 A3B4C19D29 -147.58 4.54 -8.91 -0.34 1
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137519 52219068 1 SO2N4C20H25 AB2C4D20E25 -36.33 12.93 0.0 0.0 0
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137520 52219210 1 SN2O5C18H20 AB2C5D18E20 -112.02 4.15 -9.32 -1.3 0
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137521 52219322 1 ClSO2N4C15H17 ABC2D4E15F17 1.67 6.15 -9.01 -1.02 0
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137522 52219333 1 SO2N5C16H21 AB2C5D16E21 0.12 2.94 -9.54 -0.89 1
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137523 52219459 1 SO3N4C15H27 AB3C4D15E27 -95.06 3.15 0.0 0.0 0
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137524 52219567 1 NSCl3O4H14C17 ABC3D4E14F17 -139.77 4.5 -9.55 -1.24 0
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137525 52219568 1 NSCl3O4H14C17 ABC3D4E14F17 -141.85 3.35 -9.41 -1.41 0
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137526 52220180 1 SN3O3H17C20 AB3C3D17E20 -35.79 5.55 -8.82 -0.76 0
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137527 52220412 1 SO2N3C18H23 AB2C3D18E23 -57.03 9.64 -9.39 -0.79 0
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137528 52220757 1 OS2N5C18H21 AB2C5D18E21 39.71 5.02 -9.14 -0.8 0
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137529 52220896 1 N3O3C20H33 A3B3C20D33 -121.98 2.06 -8.48 0.42 0
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137530 52221120 1 ClSN3O3C19H28 ABC3D3E19F28 -119.46 2.84 -9.02 -0.7 0
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137531 52221178 1 O2N3C19H23 A2B3C19D23 -49.9 1.08 -9.2 -0.19 0
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137532 52221915 1 OSN5C18H21 ABC5D18E21 48.44 5.61 -9.34 -0.81 0
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137533 52221916 1 SN2O3C19H24 AB2C3D19E24 -85.15 4.12 -8.14 -0.15 0
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137534 52222035 1 SO3N4C18H20 AB3C4D18E20 -24.34 5.64 -8.28 -0.65 0
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137535 52222483 1 O3N4H22C24 A3B4C22D24 7.51 3.76 -9.45 -1.2 0
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137536 52222505 1 F3N4O4C18H21 A3B4C4D18E21 -269.27 4.99 -8.94 -0.3 0
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137537 52222899 1 ClSN2O3C13H17 ABC2D3E13F17 -107.45 4.93 -9.38 -0.69 0
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137538 52222939 1 SN3O4C16H21 AB3C4D16E21 -150.52 5.92 -9.27 -0.56 0
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137539 52223051 1 FNSO3C18H22 ABCD3E18F22 -131.55 3.4 -9.57 -0.29 1
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137540 52223570 1 ClOS2N4C21H24 ABC2D4E21F24 24.48 18.12 0.0 0.0 1
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137541 52223571 1 OSN3C16H26 ABC3D16E26 -25.99 10.45 0.0 0.0 0
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137542 52223663 2 ON2H9C11 AB2C9D11 17.52 6.01 -8.68 -1.19 0
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137543 52223664 1 N3O5C21H25 A3B5C21D25 -115.6 6.63 -9.16 -1.74 0
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137544 52224246 1 ClNOC13H18 ABCD13E18 -41.74 2.16 -8.99 -0.11 0
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137545 52224247 1 N2O3C12H22 A2B3C12D22 -138.87 2.78 -9.32 0.63 0
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137546 52225234 1 SN2O6C14H18 AB2C6D14E18 -216.16 7.23 -9.63 -1.18 0
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137547 52225284 1 SO2N3C20H27 AB2C3D20E27 -36.02 6.61 -8.01 0.01 0
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137548 52225550 1 N3O4C19H21 A3B4C19D21 -56.03 6.9 -9.47 -1.57 0
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137549 52226213 1 ClSN2O4C22H25 ABC2D4E22F25 -138.04 3.53 -8.9 -1.13 0
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137550 52226641 1 N3O3H25C26 A3B3C25D26 -28.33 7.02 -8.4 -0.54 0
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137551 52226785 1 N2O3C21H26 A2B3C21D26 -77.57 1.9 -8.27 0.17 0
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137552 52226786 1 FSN2O3C14H19 ABC2D3E14F19 -164.4 3.73 -9.56 -0.23 0
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137553 52227184 1 NO4C22H25 AB4C22D25 -136.45 5.76 -8.62 -0.66 0
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137554 52227209 1 N2O4C23H28 A2B4C23D28 -146.23 5.05 -8.56 -0.47 0
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137555 52227278 1 N2S2O3H18C19 A2B2C3D18E19 -18.78 0.73 -8.82 -0.82 1
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137556 52227762 1 ON4C14H25 AB4C14D25 -20.49 4.7 0.0 0.0 -1
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137557 52228040 1 SO2N4H17C21 AB2C4D17E21 71.57 3.02 0.0 0.0 -1
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137558 52228041 1 SO2N4H17C21 AB2C4D17E21 73.48 3.02 0.0 0.0 0
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137559 52228275 1 N3C16H23 A3B16C23 26.37 1.35 -8.6 -0.29 1
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137560 52228535 1 O2N4C21H27 A2B4C21D27 -18.76 1.33 0.0 0.0 0
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137561 52228536 1 F2N2O2C17H18 A2B2C2D17E18 -159.34 4.93 -8.57 -0.4 0
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137562 52228537 1 F2N2O2C17H18 A2B2C2D17E18 -160.05 5.18 -8.65 -0.37 0
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137563 52228705 1 N3O5C22H23 A3B5C22D23 -150.38 5.11 -8.71 -0.45 0
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137564 52228706 1 N3O5C22H23 A3B5C22D23 -150.43 3.26 -8.49 -0.43 0
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137565 52228707 1 ClO2N4C22H23 AB2C4D22E23 -19.08 4.75 -8.78 -0.97 0
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137566 52228780 1 ClN2O3H19C20 AB2C3D19E20 -74.44 3.68 -8.9 -1.27 0
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137567 52228781 1 N2O2C23H30 A2B2C23D30 -76.38 4.42 -8.59 0.16 0
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137568 52228782 1 SO2N3C22H25 AB2C3D22E25 -37.33 6.22 -8.67 -0.7 0
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137569 52228783 1 SO2N4C15H18 AB2C4D15E18 -17.53 4.39 -9.1 -1.63 0
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137570 52228819 1 SO3N4C21H22 AB3C4D21E22 -35.95 5.0 -9.59 -0.82 0
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137571 52228865 2 ON2C13H16 AB2C13D16 -33.53 4.26 -8.51 0.0 1
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137572 52228866 1 N4O4C22H29 A4B4C22D29 -106.33 4.19 0.0 0.0 0
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137573 52228867 2 N2O2C11H14 A2B2C11D14 -105.37 5.12 -8.92 -0.2 0
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137574 52229184 1 BrFON3H9C15 ABCD3E9F15 3.85 4.27 -9.32 -1.66 0
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137575 52229395 1 SO2N4C22H24 AB2C4D22E24 -2.68 3.3 -8.85 -0.78 0
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137576 52229438 1 FON4C20H21 ABC4D20E21 -10.45 2.4 -9.46 -0.48 0
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137577 52229471 1 SN3O5C20H21 AB3C5D20E21 -154.65 11.9 -9.03 -1.3 0
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137578 52229638 1 N2O4C19H22 A2B4C19D22 -109.59 3.55 -8.78 -0.19 0
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137579 52229860 1 ClSN2F3O3C14H18 ABC2D3E3F14G18 -266.71 5.39 -9.06 -1.32 0
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137580 52229931 1 SN3O3C19H25 AB3C3D19E25 -89.0 6.67 -8.6 -0.69 0
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137581 52229932 1 SN3O4C20H27 AB3C4D20E27 -128.39 8.66 -8.56 -0.5 0
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137582 52229962 1 ClNO3C18H18 ABC3D18E18 -47.01 1.37 -9.11 -0.15 0
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137583 52230358 1 SN5C18H19 AB5C18D19 149.54 6.39 -9.13 -0.28 0
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137584 52230481 1 N2O2C19H30 A2B2C19D30 -83.06 2.62 -8.61 0.06 1
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137585 52230482 1 N2O2C19H31 A2B2C19D31 -59.62 1.91 0.0 0.0 1
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137586 52230626 1 N3O4C17H28 A3B4C17D28 -124.37 5.19 0.0 0.0 0
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137587 52230627 1 N3O4C17H27 A3B4C17D27 -141.8 4.86 -9.24 0.34 1
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137588 52230628 1 N3O4C17H28 A3B4C17D28 -130.33 4.21 0.0 0.0 1
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137589 52230889 1 NO2C17H24 AB2C17D24 -29.56 3.27 0.0 0.0 0
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137590 52230890 1 NO2C17H23 AB2C17D23 -46.37 1.02 -8.97 0.41 1
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137591 52231056 1 O2N3C18H24 A2B3C18D24 -22.04 4.66 0.0 0.0 0
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137592 52231057 1 O2N3C18H23 A2B3C18D23 -40.99 6.37 -8.53 -0.08 1
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137593 52231058 1 ON3C18H24 AB3C18D24 10.56 3.43 0.0 0.0 0
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137594 52231156 1 SN2O3C19H28 AB2C3D19E28 -130.36 3.12 -8.45 -0.46 0
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137595 52231231 1 ClN2O4C20H23 AB2C4D20E23 -141.33 6.83 -8.34 -0.84 0
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137596 52231398 1 ClN2O3H15C17 AB2C3D15E17 -33.54 3.51 -8.85 -1.33 0
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137597 52231610 1 Cl2N2O3H16C21 A2B2C3D16E21 -21.23 2.31 -8.48 -1.61 0
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137598 52231611 2 ClNO2H8C9 ABC2D8E9 -73.62 2.81 -8.45 -1.58 0
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137599 52231612 1 SO2N4H18C19 AB2C4D18E19 34.5 5.72 -8.84 -1.32 0
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137600 52231614 1 N3O4H25C30 A3B4C25D30 -7.93 7.44 -8.62 -1.19 0
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137601 52231615 1 N3O4H25C30 A3B4C25D30 -2.81 1.86 -8.68 -0.92 0
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137602 52231897 1 N2O3C22H26 A2B3C22D26 -57.91 4.23 -8.66 -0.82 0
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137603 52231918 1 ON4H22C24 AB4C22D24 91.49 3.07 -8.37 -0.8 -1
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137604 52231965 1 ClN3O3H25C30 AB3C3D25E30 -9.24 3.56 0.0 0.0 0
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137605 52232020 1 N7H21C29 A7B21C29 231.97 6.39 -8.57 -0.92 0
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137606 52233403 1 N3O3C17H31 A3B3C17D31 -152.82 3.41 -8.55 1.0 0
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137607 52233539 1 ON6C10H10 AB6C10D10 53.04 2.42 -8.46 -0.93 1
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137608 52233540 1 NSO4C19H24 ABC4D19E24 -94.0 1.82 0.0 0.0 0
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137609 52233688 1 O3N4H14C16 A3B4C14D16 -2.63 8.3 -8.43 -1.71 0
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137610 52234103 1 ClO2N4C12H13 AB2C4D12E13 -8.58 6.02 -9.92 -1.73 1
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137611 52234593 1 O2N3C19H28 A2B3C19D28 -49.9 6.35 0.0 0.0 0