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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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407309 135079776 1 NO2H15C16 AB2C15D16 18.89 5.27 -9.63 -0.95 0
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407310 135079777 1 NOC15H17 ABC15D17 24.79 2.02 -8.96 -0.11 0
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407311 135079778 1 NSO4H15C16 ABC4D15E16 -99.33 5.75 -10.12 -0.98 0
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407312 135079779 1 NSO2H13C17 ABC2D13E17 12.39 3.16 -9.0 -0.71 0
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407313 135079780 1 NO3C21H25 AB3C21D25 -102.1 4.57 -8.85 0.16 0
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407314 135079787 1 O5H14C16 A5B14C16 -128.08 3.66 -9.05 -0.9 0
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407315 135079804 1 SiO3C19H38 AB3C19D38 -232.94 0.99 -8.74 0.83 0
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407316 135079812 1 NSiO2C11H23 ABC2D11E23 -69.04 1.87 -9.11 -0.31 0
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407317 135079813 1 SiO2C21H26 AB2C21D26 -94.98 1.69 -8.37 0.01 0
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407318 135079814 4 OC3H4 AB3C4 -141.17 2.5 -9.46 0.24 0
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407319 135079815 1 OC12H16 AB12C16 -38.58 2.78 -9.45 0.25 0
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407320 135079816 1 NSO3C13H19 ABC3D13E19 -113.41 6.03 -9.62 -0.43 0
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407321 135079821 1 SN2O4C23H30 AB2C4D23E30 -133.44 4.41 -9.28 -0.67 0
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407322 135079824 1 LiNO3C21H28 ABC3D21E28 -147.86 7.89 -7.17 0.94 0
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407323 135079825 1 N3O3C22H23 A3B3C22D23 -53.36 7.99 -8.4 -0.51 0
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407324 135079826 1 N4O13C25H34 A4B13C25D34 -534.48 10.61 -10.14 -0.04 0
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407325 135079828 1 NSiO2C12H21 ABC2D12E21 -105.3 6.07 -9.22 0.24 0
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407326 135079829 1 NO5C16H17 AB5C16D17 -148.35 0.23 -8.43 -0.99 0
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407327 135079830 1 NSnO2C23H39 ABC2D23E39 -100.63 5.75 -9.11 0.02 0
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407328 135079831 1 SiO2C23H36 AB2C23D36 -133.07 2.66 -8.47 0.29 0
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407329 135079833 1 NSO2C19H27 ABC2D19E27 -71.75 5.93 -9.29 -0.18 0
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407330 135079834 1 NC18H27 AB18C27 3.73 1.83 -8.71 0.44 0
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407331 135079847 1 S2O3N5C17H25 A2B3C5D17E25 -53.6 2.58 -8.01 -1.13 0
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407332 135079853 1 SN2O2H24C26 AB2C2D24E26 33.85 3.08 -9.25 -0.92 0
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407333 135079863 1 SN3O4H9C18 AB3C4D9E18 16.28 5.92 -9.16 -1.9 0
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407334 135079866 1 BrNSO3C21H28 ABCD3E21F28 -100.26 7.57 -9.32 -1.17 0
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407335 135079868 1 SiN2O4C29H34 AB2C4D29E34 -78.65 4.01 -8.56 -1.44 0
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407336 135079883 1 O3C14H20 A3B14C20 -104.85 2.69 -8.44 0.64 0
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407337 135079884 1 BKF4H6C8 ABC4D6E8 -353.9 8.18 -9.49 -0.26 -1
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407338 135079885 1 BF4H6C8 AB4C6D8 -240.41 1.43 0.0 0.0 0
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407339 135079886 1 NOPF3H17C21 ABCD3E17F21 -159.27 2.48 -9.82 -0.78 0
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407340 135079887 1 ClO3C11H11 AB3C11D11 -103.13 2.05 -9.48 -0.72 0
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407341 135079888 1 NO3C19H21 AB3C19D21 -76.68 2.52 -8.66 -0.51 0
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407342 135079889 1 NO3H21C22 AB3C21D22 -50.57 4.18 -8.59 -0.78 0
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407343 135079890 1 ClSiO2C17H27 ABC2D17E27 -144.78 2.34 -9.04 -0.22 0
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407344 135079891 1 OSiC18H22 ABC18D22 -49.21 0.47 -8.8 -0.29 0
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407345 135079892 1 NSiO2C20H35 ABC2D20E35 -126.4 2.61 -8.47 0.32 0
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407346 135079893 1 NO4C15H15 AB4C15D15 -133.44 7.31 -9.74 -1.6 0
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407347 135079894 1 SN2O4C24H30 AB2C4D24E30 -129.41 4.97 -9.39 -0.73 0
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407348 135079895 1 ClNO3C11H16 ABC3D11E16 -130.32 3.59 -9.13 -0.78 0
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407349 135079896 1 O2N3H11C12 A2B3C11D12 -23.37 4.71 -9.64 -1.1 0
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407350 135079897 1 SSi2N5O6C29H47 AB2C5D6E29F47 -309.13 3.43 -8.59 -0.7 0
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407351 135079898 2 NF2H4C7 AB2C4D7 -81.1 0.04 -9.44 -0.87 0
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407352 135079899 1 O4C13H16 A4B13C16 -52.23 2.56 -9.86 -0.3 0
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407353 135079900 1 O8C25H34 A8B25C34 -297.13 3.49 -9.83 0.37 0
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407354 135079901 2 O4C15H18 A4B15C18 -263.74 3.02 -9.27 0.38 0
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407355 135079902 1 O4C25H26 A4B25C26 -81.94 1.95 -9.42 0.02 0
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407356 135079903 1 PN2O3C10H11 AB2C3D10E11 -114.46 1.89 -9.91 -1.26 0
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407357 135079906 1 OC23H28 AB23C28 9.46 2.1 -9.29 0.24 -2
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407359 135079908 1 OLi2N2C28H42 AB2C2D28E42 -70.25 9.36 -6.57 1.02 0