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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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407154 135079435 2 OC9H11 AB9C11 -53.11 3.7 -9.05 -0.28 0
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407155 135079443 1 BrO2C17H19 AB2C17D19 -41.65 5.07 -9.36 -0.47 1
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407156 135079448 1 N3O4C10H16 A3B4C10D16 -127.11 3.88 0.0 0.0 0
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407157 135079449 1 N3O4C12H19 A3B4C12D19 -128.86 3.53 -9.59 -0.92 0
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407158 135079456 1 Br2O2C19H28 A2B2C19D28 -114.17 2.75 -9.14 -0.98 0
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407159 135079461 1 NO4C16H21 AB4C16D21 -165.23 2.8 -9.87 -0.2 0
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407160 135079463 1 ClNO3C18H18 ABC3D18E18 -76.81 4.6 -8.7 -0.79 0
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407161 135079465 1 FNO3H14C16 ABC3D14E16 -97.84 2.27 -8.79 -0.8 0
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407162 135079486 1 BrClNO2H21C24 ABCD2E21F24 -4.95 4.84 -8.98 -0.31 0
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407163 135079487 1 OSN2C13H16 ABC2D13E16 16.2 3.7 -8.48 -0.83 0
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407164 135079488 1 NO2C21H29 AB2C21D29 -50.65 2.61 -9.14 0.46 0
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407165 135079489 1 NSO2C22H25 ABC2D22E25 9.92 5.35 -9.33 -0.37 0
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407166 135079490 1 SN2O2H18C19 AB2C2D18E19 33.03 6.63 -8.45 -0.47 0
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407167 135079491 1 IO2S8C136H215 AB2C8D136E215 -341.55 6.68 -8.29 -1.35 0
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407168 135079492 1 OSCl2N3H7C10 ABC2D3E7F10 13.26 5.19 -9.2 -1.31 0
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407169 135079493 1 ClOSF3N3H7C11 ABCD3E3F7G11 -138.33 5.24 -9.33 -1.48 0
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407170 135079495 1 NSO2C22H25 ABC2D22E25 -6.34 7.38 -8.68 -0.48 0
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407171 135079496 1 IMgNH4C5 ABCD4E5 88.52 3.13 -7.35 -2.2 0
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407174 135079499 1 SN2O4C24H26 AB2C4D24E26 -88.65 5.96 -8.51 -0.43 0
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407175 135079500 1 INO2H12C14 ABC2D12E14 13.05 3.54 -9.18 -0.94 1
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407176 135079501 1 NO4C12H16 AB4C12D16 -133.23 2.25 0.0 0.0 0
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407177 135079502 1 NO3C24H39 AB3C24D39 -177.99 4.51 -8.87 0.15 0
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407178 135079503 1 INOH14C16 ABCD14E16 44.67 3.65 -9.19 -0.96 0
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407179 135079504 1 LiOC5H7 ABC5D7 -31.94 3.94 -8.63 0.81 0
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407180 135079505 1 LiO2C11H11 AB2C11D11 -35.03 6.37 -8.72 0.63 0
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407181 135079506 2 NO3C6H13 AB3C6D13 -265.39 1.61 -9.27 1.26 0
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407182 135079507 1 NO4C14H19 AB4C14D19 -132.0 4.91 -9.14 -0.94 0
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407183 135079508 1 FNSO4H14C18 ABCD4E14F18 -114.99 3.91 -9.51 -2.1 0
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407184 135079509 1 IN2O3C13H15 AB2C3D13E15 -61.6 3.57 -9.56 -1.04 1
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407185 135079510 1 IN2O3C13H16 AB2C3D13E16 -45.87 7.51 0.0 0.0 0
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407186 135079511 1 BrON4C17H19 ABC4D17E19 35.75 4.23 -9.01 -1.22 0
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407187 135079512 1 BrFON4C17H18 ABCD4E17F18 -9.28 4.24 -9.12 -1.37 0
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407188 135079513 1 NO6C20H25 AB6C20D25 -249.6 1.74 -8.64 -1.33 0
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407189 135079514 1 PO9C18H31 AB9C18D31 -467.49 1.48 -9.99 0.18 0
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407190 135079515 1 O4H10C11 A4B10C11 -126.21 3.9 -10.32 -1.59 0
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407191 135079516 1 NSSiO2C15H21 ABCD2E15F21 -31.27 4.61 -9.43 -0.54 0
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407192 135079517 1 BrN2H15C16 AB2C15D16 88.44 3.36 -8.32 -0.6 0
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407193 135079518 2 NSO2C13H15 ABC2D13E15 -42.13 3.11 -9.23 -0.42 0
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407194 135079527 1 N4O5H16C18 A4B5C16D18 -24.57 2.33 -9.62 -1.59 0
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407195 135079547 1 FNOH10C14 ABCD10E14 -9.34 3.17 -9.92 -1.3 0
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407196 135079548 1 NO3C15H25 AB3C15D25 -115.29 3.34 -9.34 0.28 0
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407197 135079549 1 NO3C13H23 AB3C13D23 -114.66 1.71 -9.25 0.46 0
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407198 135079550 1 BSiTeC36H45 ABCD36E45 66.09 1.01 -7.54 -0.86 1
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407199 135079551 1 SiTeC12H25 ABC12D25 -24.42 1.54 0.0 0.0 0
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407200 135079553 1 NSSiO2C13H19 ABCD2E13F19 -67.61 3.31 -9.6 -0.28 0
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407201 135079554 1 SN2O4C13H14 AB2C4D13E14 -92.73 10.31 -9.37 -0.72 0
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407202 135079555 1 NSBr2O4H5C8 ABC2D4E5F8 -83.43 4.42 -9.57 -1.31 0
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407203 135079559 1 NSO3H11C12 ABC3D11E12 -90.2 6.05 -8.91 -1.03 0
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407204 135079560 1 S2N3O3C12H13 A2B3C3D12E13 -62.24 9.15 -9.22 -1.23 0
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407205 135079561 1 SN2O2C14H18 AB2C2D14E18 -59.17 4.86 -8.49 -0.49 0