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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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12502 138949 1 NOCl2C11H13 ABC2D11E13 -58.67 6.4 -8.93 -0.45 0
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12503 138952 3 C3H4 A3B4 20.56 0.67 -9.47 1.2 0
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12504 138979 1 OC5H6 AB5C6 3.14 4.4 -10.36 0.04 0
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12505 138999 2 SC6H6 AB6C6 46.79 1.64 -7.94 -0.83 0
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12506 139074 1 Ge2C9H26 A2B9C26 -36.65 0.16 -9.71 1.88 0
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12507 139075 1 IC3H5 AB3C5 21.42 2.05 -9.44 -0.63 0
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12508 139117 1 FHPC3K3O6 ABCD3E3F6 -500.43 1.26 -7.79 0.84 0
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12509 139173 2 NC6H8 AB6C8 40.96 0.0 -8.53 0.44 0
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12510 139175 4 C2H3 A2B3 5.41 0.7 -8.38 0.76 0
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12511 139187 1 C5H6 A5B6 52.11 0.4 -9.36 0.3 0
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12514 139226 1 P4O7 A4B7 -446.85 3.82 -10.85 -1.15 0
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12515 139230 1 CSi2H4 AB2C4 91.5 0.04 -8.07 -0.27 0
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12516 139260 1 OH2Y2 AB2C2 146.71 4.06 -5.12 -0.26 0
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12517 139298 4 AsS AB -30.42 0.0 -9.23 -1.8 0
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12520 139310 2 GeF2 AB2 -262.75 0.01 -10.02 -2.21 0
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12521 139311 1 NSC6H15 ABC6D15 -27.77 2.57 -8.81 0.68 0
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12522 139312 1 OH2Lu2 AB2C2 -163.57 5.46 -7.89 -3.82 0
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12525 139365 1 NC11H17 AB11C17 -0.8 1.34 -8.58 0.67 0
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12526 139388 1 NSeC9H11 ABC9D11 42.25 6.85 -7.68 -0.36 0
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12527 139436 2 NOC4H9 ABC4D9 -84.15 2.72 -8.89 1.69 0
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12528 139531 1 NOC13H13 ABC13D13 6.18 6.14 -9.61 0.12 0
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12529 139636 1 HPF2 ABC2 -143.54 2.06 -10.69 1.17 0
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12530 139668 1 OSiF2 ABC2 -231.13 0.49 -13.45 -2.17 0
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12531 139676 1 NO3H11C14 AB3C11D14 8.91 6.67 -9.09 -1.48 0
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12532 139681 1 ON2C4H7 AB2C4D7 5.34 3.64 0.0 0.0 1
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12533 139708 1 BrNOH4C5 ABCD4E5 27.71 2.54 -9.36 -0.98 0
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12534 139709 1 OC8H12 AB8C12 -58.91 3.49 -9.89 0.85 0
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12535 139728 1 OC15H16 AB15C16 -4.13 1.63 -8.65 0.25 0
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12536 139754 1 PN3C8H18 AB3C8D18 -33.77 3.87 -8.14 1.8 0
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12537 139843 1 BSi2F7 AB2C7 -630.11 1.85 -9.59 -1.65 0
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12539 139852 1 NC6H7 AB6C7 68.81 3.52 -10.94 1.26 0
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12540 139854 2 Ge2C5H18 A2B5C18 16.13 3.09 -7.54 -0.98 0
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12542 140033 1 ON2H8C9 AB2C8D9 59.76 2.08 -9.49 -1.08 0
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12543 140039 1 BNC6H12 ABC6D12 -37.65 1.54 -8.88 1.93 0
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12544 140047 2 SH6C8 AB6C8 77.15 2.03 -8.27 -1.28 0
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12545 140063 1 HNO ABC 29.21 1.86 -9.54 -1.02 0
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12546 140186 1 OC7H12 AB7C12 -33.47 1.9 -9.76 0.9 0
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12547 140187 1 CN4F8 AB4C8 -5.64 0.05 -11.68 -0.89 0
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12548 140219 1 SnC7H16 AB7C16 7.57 0.9 -9.81 1.13 0
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12549 140220 1 ClN2O3H7C8 AB2C3D7E8 -36.1 7.2 -9.92 -1.48 0
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12550 140221 1 ON2C7H7 AB2C7D7 39.71 5.18 0.0 0.0 0
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12551 140223 4 C2H3 A2B3 0.78 0.54 -8.67 1.47 0
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12552 140236 1 NO2C11H15 AB2C11D15 -66.37 4.83 -9.54 0.23 0
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12553 140255 1 O3C10H14 A3B10C14 -123.62 3.85 -10.22 -0.5 0
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12554 140293 1 NO4H13C14 AB4C13D14 -107.22 10.51 -9.27 -1.85 0
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12555 140294 1 NO4C14H14 AB4C14D14 -109.11 5.46 0.0 0.0 1
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12556 140296 1 ClSi2C10H17 AB2C10D17 -76.98 1.92 -9.2 -0.14 0
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12557 140299 1 SiN2C9H14 AB2C9D14 23.99 2.46 -8.18 -0.52 0
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12558 140324 2 OC8H12 AB8C12 -106.98 5.48 -8.99 0.57 0
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12559 140330 1 SiC12H16 AB12C16 -0.89 1.97 -8.52 0.3 0