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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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82701 49856366 1 O7H30C32 A7B30C32 -235.07 6.31 -9.32 -0.63 0
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82702 49856368 1 F6O7H24C32 A6B7C24D32 -535.11 5.52 -9.65 -1.54 0
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82703 49856369 1 N2O7C24H24 A2B7C24D24 -216.8 1.22 -8.48 -0.65 0
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82704 49856370 1 N2O4H18C21 A2B4C18D21 -84.08 4.51 -8.33 -1.17 0
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82705 49856371 1 SiN2O3C18H30 AB2C3D18E30 -167.9 2.82 -8.82 -0.49 0
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82706 49856372 1 BrN2O2C12H15 AB2C2D12E15 -53.24 3.2 -8.91 -0.56 0
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82707 49856373 1 SiN2O8C29H40 AB2C8D29E40 -365.33 4.32 -8.6 -0.66 0
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82708 49856374 1 BrN2O7C23H25 AB2C7D23E25 -243.4 2.31 -8.79 -0.7 0
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82709 49856377 1 FON2C12H13 ABC2D12E13 -68.48 3.77 -8.7 -0.42 0
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82710 49856378 1 FN2O4C14H17 AB2C4D14E17 -183.76 3.17 -8.9 -1.23 0
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82711 49856379 1 FN2C13H13 AB2C13D13 1.56 0.86 -8.6 -0.31 0
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82712 49856381 1 FNOC14H18 ABCD14E18 -81.49 5.21 -8.57 -0.28 0
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82713 49856384 1 O5N7C20H25 A5B7C20D25 -130.86 6.79 -8.52 -1.0 -1
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82714 49856385 1 PN6O9C19H22 AB6C9D19E22 -327.5 6.89 0.0 0.0 0
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82715 49856386 1 O5N6C19H20 A5B6C19D20 -139.29 8.83 -9.2 -1.34 0
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82716 49856388 1 SF2N5O9C39H43 AB2C5D9E39F43 -361.07 6.23 -8.98 -0.98 0
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82717 49856390 1 SF4N5O10C40H49 AB4C5D10E40F49 -577.79 7.1 -9.32 -0.99 0
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82718 49856391 1 O13H26C32 A13B26C32 -449.03 7.26 -9.43 -1.76 0
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82719 49856392 2 O5N7C25H34 A5B7C25D34 -388.86 6.7 -8.21 -0.05 0
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82723 49856397 1 ClN4H13C17 AB4C13D17 89.27 4.13 -9.49 -1.83 0
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82724 49856398 1 N4O4H18C21 A4B4C18D21 -64.98 6.49 -9.48 -1.81 0
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82725 49856399 1 ON4H14C17 AB4C14D17 67.54 4.42 -9.35 -1.72 0
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82726 49856400 1 N4O4C17H20 A4B4C17D20 -112.7 1.13 -9.58 -1.88 0
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82728 49856403 1 ClN5O6C35H44 AB5C6D35E44 -208.42 11.06 -8.6 -1.27 0
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82729 49856404 1 ClN6O6C34H43 AB6C6D34E43 -193.11 14.93 -8.57 -0.76 0
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82730 49856405 1 ClN3O3C17H18 AB3C3D17E18 -112.12 2.5 -9.56 -1.26 0
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82731 49856416 1 F3O3N4C24H25 A3B3C4D24E25 -209.39 3.81 -8.13 -0.8 0
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82732 49856418 1 ClNO7C18H22 ABC7D18E22 -285.72 4.24 -9.05 -0.48 0
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82733 49856419 1 ClNO7C19H24 ABC7D19E24 -292.65 7.97 -8.64 -0.27 0
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82734 49856420 1 ClNO7C24H26 ABC7D24E26 -249.03 2.99 -8.62 -0.16 0
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82735 49856421 1 ClO3C10H15 AB3C10D15 -150.4 3.84 -9.62 -0.1 0
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82736 49856422 1 ClO3C12H19 AB3C12D19 -167.8 7.03 -9.6 -0.11 0
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82737 49856423 1 ClN2O2C13H21 AB2C2D13E21 -107.96 2.79 -9.44 -0.22 0
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82739 49856432 1 ClO2N11H30C34 AB2C11D30E34 142.88 4.68 -8.31 -1.32 0
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82740 49856434 1 BrClFPO2N4H22C24 ABCDE2F4G22H24 -57.18 3.54 -8.91 -1.52 0
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82741 49856435 1 ClPO3N6H28C29 ABC3D6E28F29 -8.87 5.93 -8.6 -1.17 0
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82742 49856436 1 FPO3N4H30C33 ABC3D4E30F33 -15.79 2.81 -8.51 -1.1 0
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82743 49856437 1 ClPO4N5C31H31 ABC4D5E31F31 -36.29 5.3 -8.49 -1.07 0
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82744 49856440 1 N2S3O6C30H36 A2B3C6D30E36 -142.54 5.14 -8.47 -0.86 0
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82745 49856442 1 ON4C20H22 AB4C20D22 58.05 3.96 -8.97 -0.27 0
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82746 49856443 1 ON4C24H24 AB4C24D24 73.71 2.97 -9.0 -0.74 0
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82747 49856445 1 BrO4N5C21H24 AB4C5D21E24 -94.18 7.03 -9.19 -1.43 0
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82748 49856447 1 SN5C15H17 AB5C15D17 90.15 4.9 -8.98 -1.11 0
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82749 49856448 1 SN5C16H19 AB5C16D19 87.86 8.42 -8.8 -1.02 0
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82750 49856449 1 OSN5C16H17 ABC5D16E17 39.67 7.54 -9.01 -1.06 0
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82751 49856450 4 NC3H4 AB3C4 45.04 2.93 -8.08 0.16 0
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82752 49856452 1 ON5C13H13 AB5C13D13 37.95 1.81 -9.38 -0.93 0
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82753 49856453 1 OF2N5H21C25 AB2C5D21E25 -2.14 7.44 -9.51 -1.07 0
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82754 49856455 1 ON5C21H21 AB5C21D21 96.59 4.37 -8.73 -0.11 0
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82755 49856456 1 ON5C21H21 AB5C21D21 87.54 6.99 -8.85 -0.35 0