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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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397269 135029978 2 ON3C10H10 AB3C10D10 82.19 7.35 -9.41 -1.36 0
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397270 135029979 1 O3N6H18C19 A3B6C18D19 54.84 6.9 -9.53 -1.45 0
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397271 135029980 1 ON5H19C22 AB5C19D22 90.1 2.18 -8.52 -0.71 0
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397272 135029981 1 ClON5C18H18 ABC5D18E18 52.55 3.71 -8.46 -0.74 0
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397273 135029982 1 ON5C13H17 AB5C13D17 26.49 3.21 -8.39 -0.09 0
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397274 135029983 2 N3C10H10 A3B10C10 118.96 4.78 -9.1 -0.89 0
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397275 135029985 1 O3N5C21H25 A3B5C21D25 -19.76 2.68 -8.13 -0.14 3
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397276 135029986 3 NH6C9 AB6C9 161.78 3.73 0.0 0.0 0
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397277 135029987 1 ON6C12H18 AB6C12D18 0.29 3.96 -8.93 -0.37 0
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397278 135029988 1 NO2H15C24 AB2C15D24 39.42 6.69 -9.1 -1.36 0
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397279 135029989 1 N4H12C17 A4B12C17 138.82 3.76 -9.11 -1.25 0
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397280 135029990 2 ClN2H7C8 AB2C7D8 85.6 1.31 -9.45 -0.84 0
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397281 135029991 1 OCl2N3H17C18 AB2C3D17E18 34.13 1.43 -8.61 -0.73 0
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397282 135029993 1 Cl2N3H17C18 A2B3C17D18 69.9 2.34 -9.42 -0.74 0
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397283 135029994 1 NO3C29H29 AB3C29D29 -22.17 0.59 -8.7 -0.66 0
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397284 135029996 1 ON2H16C18 AB2C16D18 31.01 3.75 -8.41 -0.44 0
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397285 135029997 1 O2F3C12H13 A2B3C12D13 -238.4 4.68 -9.3 -0.62 0
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397286 135029998 1 NOH17C18 ABC17D18 13.24 3.59 -8.94 -0.46 0
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397287 135029999 2 NO2C7H10 AB2C7D10 -125.42 4.62 -10.11 -0.66 1
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397288 135030000 1 N2O4C14H21 A2B4C14D21 -124.2 4.79 0.0 0.0 0
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397289 135030001 1 NO3C13H13 AB3C13D13 -90.69 2.37 -8.94 -1.22 0
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397290 135030002 1 O3C19H20 A3B19C20 -86.11 3.59 -9.48 -0.12 0
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397291 135030003 1 N2O6C29H38 A2B6C29D38 -190.57 4.01 -9.49 0.09 0
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397292 135030004 1 IO2C8H15 AB2C8D15 -71.65 4.7 -9.33 -0.51 0
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397293 135030005 1 NOH17C18 ABC17D18 9.98 2.95 -8.69 -0.05 0
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397294 135030006 1 NCl2O2H11C15 AB2C2D11E15 -58.91 0.97 -8.91 -1.04 0
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397295 135030007 1 NO5H23C25 AB5C23D25 -156.92 5.71 -8.83 -0.89 0
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397296 135030009 1 NO4C21H21 AB4C21D21 -125.05 4.57 -8.87 -0.92 0
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397297 135030010 1 NO2H15C19 AB2C15D19 -25.1 3.73 -8.48 -0.81 0
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397298 135030011 1 ClIO7C29H32 ABC7D29E32 -220.51 2.37 -8.76 -0.82 0
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397299 135030012 1 ClO11C38H41 AB11C38D41 -417.54 3.24 -9.58 -1.65 1
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397300 135030013 1 SiO2C17H29 AB2C17D29 -129.72 2.71 0.0 0.0 0
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397301 135030014 1 SO2C18H20 AB2C18D20 -51.87 1.23 -8.93 -0.06 0
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397302 135030016 1 NOSH15C17 ABCD15E17 39.94 3.28 -8.89 -0.51 0
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397303 135030017 1 O3N5C23H31 A3B5C23D31 -43.24 11.28 -9.25 -0.88 0
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397304 135030018 1 FNC18H20 ABC18D20 -0.29 2.1 -8.57 0.08 0
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397305 135030019 1 ON3C18H27 AB3C18D27 -23.38 2.48 -8.36 0.33 0
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397306 135030020 1 NO3C10H15 AB3C10D15 -132.46 4.73 -9.95 0.44 -2
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397307 135030021 1 NOYC7H11 ABCD7E11 -13.77 2.17 0.0 0.0 -2
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397308 135030022 2 SO3C46H60 AB3C46D60 -178.22 1.41 -8.45 -2.3 0
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397309 135030023 2 SO3C46H61 AB3C46D61 -223.58 3.06 -7.71 -2.02 0
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397310 135030024 1 SN3O3H5C7 AB3C3D5E7 4.54 5.16 -9.19 -1.36 0
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397311 135030025 6 H7C10 A7B10 337.74 0.2 -8.09 -1.3 0
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397312 135030026 1 ON2H28C44 AB2C28D44 167.28 8.06 -7.75 -1.58 0
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397313 135030027 1 NO2F6H19C30 AB2C6D19E30 -285.79 4.52 -9.21 -1.79 0
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397314 135030028 1 NCl2O2F6H13C22 AB2C2D6E13F22 -339.6 5.44 -9.95 -1.82 0
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397315 135030029 1 F3O3H13C18 A3B3C13D18 -205.72 1.32 -9.82 -0.95 0
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397316 135030031 1 OSC19H24 ABC19D24 -19.77 3.19 -8.6 -0.09 0
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397317 135030032 1 NO2C22H25 AB2C22D25 -59.25 3.42 -9.4 0.2 0
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397318 135030033 1 NO2C13H15 AB2C13D15 -76.36 2.93 -9.58 -0.03 0