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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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216623 85086513 1 O5C15H26 A5B15C26 -257.04 4.7 -10.16 -0.08 0
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216624 85086514 1 O3C18H22 A3B18C22 -112.06 3.12 -9.42 0.24 0
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216625 85086515 1 O3C18H22 A3B18C22 -110.19 2.52 -9.41 0.22 0
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216626 85086520 1 OC20H30 AB20C30 -53.82 3.45 -9.62 0.54 0
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216627 85086521 1 SiO3C15H30 AB3C15D30 -211.89 1.92 -9.21 -0.33 0
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216628 85086523 1 SiO2C16H34 AB2C16D34 -203.32 3.39 -8.67 1.44 0
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216629 85086524 1 OSi2C15H34 AB2C15D34 -133.07 2.18 -8.86 0.54 0
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216630 85086525 1 ClFON2H8C15 ABCD2E8F15 15.43 5.04 -9.12 -1.83 0
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216631 85086526 1 ClO3N4C11H15 AB3C4D11E15 -119.58 2.99 -8.51 -0.23 0
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216632 85086527 2 ClNOC6H6 ABCD6E6 5.43 2.18 -9.03 -0.65 0
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216633 85086528 1 NO5H11C15 AB5C11D15 -105.64 4.83 -8.62 -2.23 0
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216634 85086529 1 N3O4H13C14 A3B4C13D14 -37.93 6.96 -8.84 -1.97 0
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216635 85086530 1 N3O5C12H21 A3B5C12D21 -169.27 3.2 -10.04 -0.35 0
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216636 85086531 1 N3O5C12H21 A3B5C12D21 -216.98 3.16 -9.53 0.05 0
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216637 85086537 1 NO3C17H21 AB3C17D21 -96.05 2.33 -8.63 -0.25 0
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216638 85086544 1 NSiO3C14H29 ABC3D14E29 -212.65 4.46 -8.61 1.43 0
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216639 85086549 1 N2O7C11H16 A2B7C11D16 -287.97 2.68 -9.86 -1.26 0
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216640 85086550 1 PO3C16H17 AB3C16D17 -95.56 3.1 -9.94 -0.27 0
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216641 85086551 1 O7C13H20 A7B13C20 -335.47 1.0 -10.03 0.49 0
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216642 85086552 1 O5C16H16 A5B16C16 -166.53 8.06 -9.03 -1.19 0
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216643 85086553 1 O5C16H16 A5B16C16 -143.28 1.77 -8.7 -1.08 0
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216644 85086554 1 N2O4C15H16 A2B4C15D16 -104.86 3.94 -8.95 -0.77 0
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216645 85086555 1 OSN6C12H18 ABC6D12E18 48.56 3.2 -8.7 0.11 0
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216646 85086556 1 O2N4C15H22 A2B4C15D22 -76.93 5.1 -9.29 -0.36 0
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216647 85086557 1 ON6C14H20 AB6C14D20 71.43 4.83 -8.62 -1.83 0
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216648 85086558 1 FO2C18H21 AB2C18D21 -138.14 3.95 -8.84 0.19 0
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216649 85086559 1 SN2O4C12H20 AB2C4D12E20 -184.83 7.66 -9.39 0.08 0
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216650 85086560 1 OSN4C14H16 ABC4D14E16 11.52 5.36 -9.14 -0.92 0
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216651 85086561 3 OC6H8 AB6C8 -50.07 5.24 -9.16 -0.54 0
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216652 85086563 1 N2O2C17H24 A2B2C17D24 -38.33 3.55 -9.17 -0.62 0
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216653 85086564 1 SO4C14H24 AB4C14D24 -205.15 5.62 -10.0 -0.14 0
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216654 85086565 1 O2C19H28 A2B19C28 -79.22 5.13 -9.32 0.91 0
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216655 85086566 1 SiO4C14H28 AB4C14D28 -251.53 1.47 -8.93 0.55 0
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216656 85086567 1 OC20H32 AB20C32 -85.68 3.24 -8.88 0.76 0
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216657 85086568 1 SiO3C15H32 AB3C15D32 -223.1 1.22 -8.8 0.98 1
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216658 85086570 1 N3O5H10C13 A3B5C10D13 -133.68 8.01 0.0 0.0 1
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216659 85086572 1 O3N5C13H16 A3B5C13D16 -36.43 7.51 0.0 0.0 0
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216660 85086573 1 O3N7C10H23 A3B7C10D23 -46.04 3.2 -9.45 -1.14 0
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216661 85086575 1 NO5C14H27 AB5C14D27 -282.5 2.97 -10.0 0.65 0
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216662 85086576 1 NO3C17H23 AB3C17D23 -122.61 4.94 -9.2 -0.14 0
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216663 85086577 1 O2N3C16H21 A2B3C16D21 -12.14 8.84 -8.83 -1.81 0
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216664 85086578 1 O2N3C16H23 A2B3C16D23 -49.7 2.04 -8.73 -1.12 0
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216665 85086579 1 N3S3H7C12 A3B3C7D12 139.7 9.34 -8.52 -2.32 0
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216666 85086580 1 NOC19H31 ABC19D31 -52.65 1.43 -8.41 0.46 0
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216667 85086581 1 IOC11H15 ABC11D15 -10.89 4.21 -9.37 -0.76 0
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216668 85086582 1 SO3N4H10C12 AB3C4D10E12 90.34 3.41 -9.36 -1.98 0
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216669 85086587 1 O4C17H22 A4B17C22 -158.51 2.83 -9.71 -0.1 0
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216670 85086588 1 N2O3C16H22 A2B3C16D22 -51.2 11.34 -8.89 -0.76 0
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216671 85086589 1 O3C18H26 A3B18C26 -117.58 1.28 -9.54 0.2 0
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216672 85086591 1 O2C19H30 A2B19C30 -128.52 0.96 -9.58 1.24 0