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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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412618 135085515 1 ClTiO4C39H44 ABC4D39E44 -67.99 8.05 0.0 0.0 0
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412619 135085516 1 PK3O9H10 AB3C9D10 -647.81 17.58 -8.27 0.78 0
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412620 135085517 1 O5C11H12 A5B11C12 -192.4 5.27 -10.33 -1.0 0
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412621 135085518 1 O2S2N3H7C9 A2B2C3D7E9 81.32 3.38 -9.16 -1.77 0
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412622 135085519 1 AgO4C11H15 AB4C11D15 -160.34 3.19 -8.39 -4.27 0
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412623 135085520 1 O4C11H16 A4B11C16 -161.4 0.5 -10.6 0.5 1
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412624 135085521 1 PO4C10H12 AB4C10D12 -156.19 1.84 0.0 0.0 0
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412625 135085522 1 NO2C13H15 AB2C13D15 -19.01 2.93 -8.38 -0.1 0
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412626 135085523 2 C7H9 A7B9 68.48 1.84 -8.41 0.77 1
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412627 135085524 1 FN2H10C12 AB2C10D12 18.96 6.01 0.0 0.0 0
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412628 135085525 1 BN2O2C13H21 AB2C2D13E21 -132.53 4.44 -9.03 0.82 0
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412629 135085526 1 S2O3C9H14 A2B3C9D14 -106.68 1.91 -8.69 -1.04 0
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412630 135085527 2 NO3C8H15 AB3C8D15 -265.16 2.71 -8.95 0.51 0
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412631 135085528 1 NO2C18H35 AB2C18D35 -156.53 2.58 -9.46 1.0 0
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412632 135085529 1 ClN2O2C45H49 AB2C2D45E49 -31.88 12.84 -8.43 -1.58 0
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412633 135085530 1 NO4C23H31 AB4C23D31 -119.76 3.93 -8.49 -0.04 0
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412634 135085531 1 BrFON2C26H28 ABCD2E26F28 -7.67 11.52 -7.55 -1.59 1
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412635 135085532 1 FON2C26H28 ABC2D26E28 5.57 2.32 0.0 0.0 0
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412636 135085533 2 RhH3O4C9F14 AB3C4D9E14 -1527.72 11.21 -10.13 -6.98 0
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412638 135085535 1 ClRuC20H28 ABC20D28 6.51 5.98 0.0 0.0 2
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412641 135085538 1 ClNiO2P2H25C30 ABC2D2E25F30 -33.53 10.32 -8.4 -0.91 0
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412642 135085539 1 AlC3S3O13H17 AB3C3D13E17 -770.29 3.76 -11.13 0.14 0
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412643 135085540 1 CuN2Si2O6C26H42 AB2C2D6E26F42 -313.86 1.11 0.0 0.0 0
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412644 135085541 2 NSiO3C13H21 ABC3D13E21 -394.98 1.97 -8.36 0.7 0
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412645 135085542 1 N4O5C40H58 A4B5C40D58 -244.89 6.4 -7.83 -0.37 1