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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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391527 135006273 1 SN2O3C13H18 AB2C3D13E18 -113.65 5.08 -9.52 -0.33 0
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391528 135006300 2 N3H11C13 A3B11C13 146.37 3.93 -8.32 -0.66 0
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391529 135006328 1 NO5C20H27 AB5C20D27 -140.44 3.6 -9.99 -0.73 0
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391530 135006334 1 FO3C12H13 AB3C12D13 -154.95 2.65 -9.95 -0.41 0
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391531 135006339 1 NO4C17H25 AB4C17D25 -147.93 3.46 -9.51 0.06 0
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391532 135006340 1 NO4C14H27 AB4C14D27 -207.2 2.0 -9.36 0.3 0
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391533 135006344 1 ClNO3C22H24 ABC3D22E24 -107.25 1.55 -9.55 -0.41 0
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391534 135006347 1 BrNO4C13H14 ABC4D13E14 -145.64 3.7 -10.06 -1.17 0
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391535 135006348 1 BrNO4C13H14 ABC4D13E14 -145.87 4.71 -9.97 -0.82 0
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391536 135006356 2 O2C8H9 A2B8C9 -139.21 3.39 -9.67 -0.62 0
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391537 135006357 1 O4C15H16 A4B15C16 -147.6 2.26 -9.6 -0.58 0
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391538 135006358 1 NO4C14H17 AB4C14D17 -159.8 5.38 -9.77 -0.57 0
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391539 135006373 2 SO3H17C20 AB3C17D20 -86.92 2.92 -9.51 -0.66 0
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391540 135006405 1 ClNO2C7H12 ABC2D7E12 -112.9 4.95 -10.24 0.42 0
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391541 135006406 1 GeO2C15H22 AB2C15D22 -80.23 2.28 -8.97 0.04 0
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391542 135006413 1 OSN2C14H20 ABC2D14E20 -5.82 3.79 -8.54 0.28 0
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391543 135006424 1 NO4C10H15 AB4C10D15 -126.92 4.81 -9.6 0.31 0
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391544 135006426 1 NO6C23H27 AB6C23D27 -176.41 2.5 -8.9 0.11 0
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391545 135006427 1 O2N4H12C15 A2B4C12D15 100.28 9.34 -9.71 -1.72 0
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391546 135006432 1 N4O4H10C11 A4B4C10D11 -1.49 7.51 -10.5 -1.78 0
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391548 135006437 1 SO3C19H20 AB3C19D20 -66.34 2.41 -8.84 -0.58 0
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391549 135006448 1 NSSiO4H15F18C26 ABCD4E15F18G26 -955.81 11.79 -10.58 -1.86 1
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391550 135006449 1 NOSiF15H15C25 ABCD15E15F25 -679.39 3.72 0.0 0.0 1
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391551 135006451 1 NSiO2H13F15C27 ABC2D13E15F27 -676.0 3.42 0.0 0.0 0
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391552 135006455 1 O3C14H24 A3B14C24 -146.98 1.44 -10.03 -0.24 0
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391553 135006459 1 NPF6H12C15 ABC6D12E15 -378.03 14.12 -10.08 -1.97 0
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391554 135006462 1 S2O3C8H14 A2B3C8D14 -140.03 1.76 -8.99 -0.08 0
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391555 135006480 1 Sn2C13H30 A2B13C30 -5.18 0.56 -8.61 1.0 0
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391556 135006487 1 SSiN2O4C32H42 ABC2D4E32F42 -154.51 4.66 -8.66 -0.68 0
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391557 135006490 1 NSO2F3C10H14 ABC2D3E10F14 -214.87 2.25 -8.75 -0.05 0
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391558 135006491 1 NF3H12C17 AB3C12D17 -42.3 4.81 -9.2 -1.24 0
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391559 135006492 1 ClOF3N3C28H29 ABC3D3E28F29 -155.48 5.63 -9.33 -0.79 0
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391560 135006493 2 N3C11H11 A3B11C11 108.47 4.58 -8.68 -0.59 0
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391561 135006556 1 Br2O3H10C12 A2B3C10D12 -77.74 4.68 -9.73 -1.14 0
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391562 135006558 1 OSSnC26H40 ABCD26E40 -28.71 4.6 -8.1 0.14 0
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391564 135006562 2 OC8H8 AB8C8 -7.5 6.29 -9.02 -0.38 0
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391565 135006565 1 NSO2C20H21 ABC2D20E21 -12.88 5.81 -8.57 -0.53 0
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391566 135006566 1 NPSO2C13H30 ABCD2E13F30 -163.34 0.84 -7.97 0.62 0
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391567 135006568 2 FNOSC11H15 ABCDE11F15 -135.41 0.95 -8.54 -0.07 0
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391568 135006571 1 OC14H16 AB14C16 9.59 3.61 -9.64 0.14 0
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391569 135006575 1 BrNOS17C139H168 ABCD17E139F168 25.41 1.47 -8.5 -1.05 0
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391570 135006587 1 NSSiO3C21H29 ABCD3E21F29 -104.81 5.74 -8.51 -0.44 0
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391571 135006588 2 O2C7H7 A2B7C7 -98.81 4.3 -9.46 -0.78 0
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391572 135006605 1 NSF3O3H10C11 ABC3D3E10F11 -222.65 15.34 -10.22 -2.14 0
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391573 135006608 1 ClO2N3C15H16 AB2C3D15E16 -51.19 3.13 -9.11 -1.08 1
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391574 135006620 1 NOC21H28 ABC21D28 10.35 3.08 0.0 0.0 0
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391575 135006626 1 SO2C15H28 AB2C15D28 -128.61 3.49 -8.81 -0.33 0
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391576 135006628 2 NO2C7H9 AB2C7D9 -141.25 3.41 -9.53 -0.56 0
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391577 135006630 1 ON2C15H20 AB2C15D20 -6.06 6.77 -8.97 -0.79 0
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391578 135006652 1 OCl3C6H9 AB3C6D9 -66.52 1.32 -10.52 -0.54 0
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391579 135006673 1 SiO10C45H60 AB10C45D60 -421.85 3.06 -8.81 0.01 0
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391580 135006689 1 NSSiO3C31H41 ABCD3E31F41 -126.18 2.87 -8.48 -0.06 0
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391581 135006693 1 NSF3O3C10H10 ABC3D3E10F10 -242.09 6.74 -8.36 -0.88 0
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391582 135006694 1 O4C15H28 A4B15C28 -230.55 3.63 -10.06 0.69 0
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391583 135006695 1 PRbSSeO6C22H38 ABCDE6F22G38 -274.59 8.02 -7.46 -0.89 0
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391584 135006697 1 SN2O2C23H34 AB2C2D23E34 -34.88 4.57 -8.58 0.44 0
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391585 135006699 1 NOH23C24 ABC23D24 54.61 1.79 -9.23 0.08 0
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391586 135006701 1 BrNOF2H12C15 ABCD2E12F15 -70.45 4.61 -8.84 -0.9 0
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391587 135006711 1 SN3O3C22H31 AB3C3D22E31 -123.83 1.4 -8.82 -0.35 0
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391588 135006716 1 NOPH24C28 ABCD24E28 67.38 1.66 -8.61 0.07 0
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391589 135006717 2 NOC19H22 ABC19D22 3.22 2.77 -8.68 0.34 0
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391590 135006718 1 SiO4C22H34 AB4C22D34 -223.47 1.4 -8.74 0.18 0
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391591 135006758 1 NOF2H9C13 ABC2D9E13 -79.11 4.32 -8.64 -0.7 0
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391592 135006782 1 NCl3O4C11H14 AB3C4D11E14 -185.69 2.32 -11.07 -0.75 0
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391593 135006792 1 ClN2O6C28H37 AB2C6D28E37 -198.61 2.5 -9.6 -0.67 0
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391594 135006793 2 NO3C16H20 AB3C16D20 -174.34 3.35 -9.09 -0.73 0
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391595 135006875 1 N4O6C19H22 A4B6C19D22 -162.21 7.68 -9.72 -1.42 0
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391596 135006879 1 NSO4C29H29 ABC4D29E29 -74.76 5.7 -9.52 -0.8 0
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391597 135006880 1 NSO4H31C34 ABC4D31E34 -35.35 8.53 -9.43 -0.69 0
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391599 135006900 1 NC21H23 AB21C23 69.31 1.78 -8.79 0.28 0
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391600 135006902 1 ClSO2H15C18 ABC2D15E18 0.42 3.76 -8.91 -0.6 0
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391601 135006908 1 ION2C21H23 ABC2D21E23 32.66 13.63 -7.52 -1.96 0
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391602 135006913 1 NSF3O3C21H26 ABC3D3E21F26 -205.39 16.95 -9.6 -1.4 0
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391603 135007017 1 NO2C18H21 AB2C18D21 -31.24 1.5 -7.99 0.09 0
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391604 135007018 1 ClOC13H13 ABC13D13 -29.78 4.62 -9.6 -0.22 1