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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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25547 626312 1 SN2O3C14H18 AB2C3D14E18 -80.88 5.8 -9.24 -1.15 0
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25548 626313 1 N2O3H14C17 A2B3C14D17 -26.53 3.45 -8.79 -1.42 0
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25549 626314 1 N2O3H14C17 A2B3C14D17 -45.0 1.78 -9.05 -0.8 0
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25550 626315 1 N2O3H14C17 A2B3C14D17 -48.9 2.19 -8.98 -0.7 0
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25552 626317 1 ON2C19H22 AB2C19D22 104.5 2.95 -8.49 0.12 -10
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25554 626319 1 SCl2O2N3H9C12 AB2C2D3E9F12 -31.5 6.08 -9.56 -0.88 0
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25555 626344 1 SN2O2H10C16 AB2C2D10E16 57.32 5.57 -8.93 -1.3 0
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25556 626346 1 N3O3H13C16 A3B3C13D16 20.01 1.89 -9.9 -1.67 0
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25557 626349 1 SN2O4C13H14 AB2C4D13E14 -116.52 4.63 -8.76 -0.91 0
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25558 626354 1 O3H18C19 A3B18C19 -74.02 2.39 -9.69 -1.6 0
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25559 626355 2 OC10H11 AB10C11 -49.54 1.66 -7.88 -0.34 0
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25560 626356 2 Br2O3C10H10 A2B3C10D10 -167.32 0.02 -9.68 -1.01 0
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25561 626362 1 SN4O4H14C16 AB4C4D14E16 -36.79 7.03 -9.65 -1.27 0
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25562 626455 1 NO3H17C18 AB3C17D18 -94.98 4.09 -8.82 -1.09 0
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25563 626456 1 NOC20H25 ABC20D25 -3.61 2.34 -9.08 -1.24 0
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25564 626457 1 HOF15C16 ABC15D16 -655.83 1.99 -10.9 -1.86 0
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25565 626459 1 NO3H17C18 AB3C17D18 -82.6 5.7 -8.53 -0.6 0
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25566 626460 1 OSiC21H42 ABC21D42 -121.81 1.45 -8.68 1.21 0
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25567 626461 1 O3C20H22 A3B20C22 -98.59 5.91 -8.87 -0.06 0
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25568 626462 1 ClN2O2H13C18 AB2C2D13E18 40.82 4.42 -9.42 -1.1 0
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25569 626470 1 ClN3O3C13H14 AB3C3D13E14 -55.23 4.46 -8.84 -0.8 0
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25570 626471 1 CuO4C30H40 AB4C30D40 -92.47 11.1 0.0 0.0 0
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25571 626622 1 N3H17C21 A3B17C21 118.03 7.36 -8.87 -0.64 0
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25572 626623 1 FNOC19H20 ABCD19E20 -44.59 4.24 -8.45 -0.55 0
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25573 626630 1 NO4H15C17 AB4C15D17 -101.96 5.58 -8.61 -0.8 0
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25574 626663 1 Si2O7C12H30 A2B7C12D30 -543.41 0.67 -9.8 0.41 0
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25575 626670 1 OSiC20H42 ABC20D42 -172.93 1.67 -8.93 1.39 0
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25576 626673 1 ON2C22H34 AB2C22D34 -56.94 3.2 -8.26 0.54 0
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25577 626690 1 OSiF5C21H33 ABC5D21E33 -361.11 4.76 -9.99 -0.76 0
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25578 626809 1 O4C25H36 A4B25C36 -214.13 2.12 -9.82 -0.07 0
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25579 626837 2 NO2C12H23 AB2C12D23 -272.08 7.24 -9.37 0.88 0
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25580 626838 1 ON3H17C21 AB3C17D21 75.13 7.26 -9.24 -0.52 0
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25581 626840 1 Cl2N2S2H24C33 A2B2C2D24E33 144.15 2.77 -8.55 -0.77 0
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25582 626841 1 O5H14C17 A5B14C17 -84.69 5.54 -9.27 -1.01 0
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25583 626893 2 O2C9H9 A2B9C9 -101.85 3.44 -8.4 -0.23 0
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25584 626971 1 IO2C22H35 AB2C22D35 -119.57 2.51 -9.2 -0.73 0
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25585 626974 1 OSF3N3H8C12 ABC3D3E8F12 -141.67 7.46 -8.95 -1.75 0
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25586 626976 1 O4C19H22 A4B19C22 -144.58 5.25 -8.49 -0.16 0
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25587 626980 1 ClNO4H12C18 ABC4D12E18 -89.09 3.32 -8.69 -1.82 0
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25588 627012 1 OSN3C16H17 ABC3D16E17 54.43 4.11 -8.46 -0.52 0
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25589 627019 3 OC7H10 AB7C10 -139.38 3.55 -9.47 0.88 0
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25590 627020 1 SO2N3H13C15 AB2C3D13E15 80.33 10.49 -8.75 -1.65 0
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25591 627022 1 SN2O2Cl3H15C17 AB2C2D3E15F17 -32.63 8.68 -8.65 -0.58 0
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25592 627023 1 N3O5H9C14 A3B5C9D14 26.98 9.31 -9.33 -2.54 0
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25593 627026 1 SO2N3H13C15 AB2C3D13E15 -16.21 2.61 -8.81 -1.58 0
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25594 627027 1 NOS2H13C16 ABC2D13E16 46.11 1.75 -8.27 -1.12 0
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25595 627028 1 N3H17C20 A3B17C20 110.11 3.89 -7.83 -0.42 0
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25596 627031 1 NSiS2C14H25 ABC2D14E25 -35.58 1.61 -8.68 -0.15 0
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25597 627032 1 NO2C19H25 AB2C19D25 -59.13 1.9 -8.75 0.28 0
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25598 627042 1 O2N3H9C18 A2B3C9D18 73.62 7.24 -9.4 -2.18 0