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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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147271 53786926 2 O2C13H17 A2B13C17 -135.98 7.6 -8.23 -0.52 0
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147272 53786927 1 SN2O3C22H24 AB2C3D22E24 -41.86 6.36 -8.75 -0.76 1
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147273 53786928 1 SN6O7H19C21 AB6C7D19E21 -68.12 4.47 0.0 0.0 0
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147274 53786929 1 N6O6C19H34 A6B6C19D34 -269.21 6.2 -8.74 -1.02 0
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147275 53786930 21 CH2 AB2 -84.55 0.32 -9.52 1.4 0
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147276 53786931 1 ClN2O3H13C16 AB2C3D13E16 -53.99 3.98 -8.41 -0.42 0
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147277 53786932 1 ON3C14H19 AB3C14D19 28.62 2.61 -9.5 -0.6 0
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147278 53786933 1 SN4O8C27H40 AB4C8D27E40 -365.89 11.58 -8.89 -0.48 0
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147279 53786934 1 SN4O8C27H40 AB4C8D27E40 -365.33 4.23 -9.29 -0.76 0
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147280 53786935 1 SO2N3C11H11 AB2C3D11E11 8.14 5.53 -8.83 -2.4 0
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147281 53786936 1 PSN3O5H12C21 ABC3D5E12F21 -101.64 2.67 -9.2 -1.07 0
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147282 53786937 1 SN3O5H23C27 AB3C5D23E27 -35.79 6.56 -9.04 -0.84 0
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147283 53786938 1 O3C17H18 A3B17C18 -96.76 2.3 -8.9 -0.52 0
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147284 53786939 1 N3O9C21H29 A3B9C21D29 -386.82 4.19 -9.98 -0.98 0
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147285 53786940 1 ClSO4C16H21 ABC4D16E21 -179.75 7.0 -10.0 -0.98 0
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147286 53786941 2 OC5H10 AB5C10 -130.09 1.95 -9.86 2.08 0
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147287 53786942 1 N2F3O3H15C17 A2B3C3D15E17 -187.84 6.15 -9.3 -0.79 0
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147288 53786943 1 N5O12C21H35 A5B12C21D35 -562.81 7.06 -10.03 -0.72 0
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147289 53786944 2 O3C10H16 A3B10C16 -120.26 5.91 -9.08 -1.26 1
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147290 53786945 1 N2C16H31 A2B16C31 -16.75 2.31 0.0 0.0 0
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147291 53786946 1 N2O5C11H14 A2B5C11D14 -174.18 5.9 -11.36 -0.46 0
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147292 53786947 1 ClNSO4C12H14 ABCD4E12F14 -140.59 7.5 -9.32 -0.8 0
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147293 53786948 1 O2H10Br14C27 A2B10C14D27 162.61 1.44 -9.4 -2.06 0
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147294 53786949 2 NOC13H18 ABC13D18 -67.06 1.48 -8.85 -0.4 0
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147295 53786950 2 NOC11H12 ABC11D12 -34.92 2.15 -8.84 -0.41 0
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147296 53786951 1 NSO3C23H27 ABC3D23E27 -91.6 2.71 -8.21 -0.06 0
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147297 53786952 1 O3C13H16 A3B13C16 -113.48 4.87 -9.6 -0.77 0
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147298 53786953 1 FC33H35 AB33C35 67.18 2.07 -8.64 -0.84 0
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147299 53786954 1 N2O2F3C41H51 A2B2C3D41E51 -236.03 6.35 -8.89 -1.06 0
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147300 53786955 1 N2O4C33H48 A2B4C33D48 -130.53 5.93 -8.61 -0.3 0
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147301 53786956 1 FN5O7C42H54 AB5C7D42E54 -274.32 7.23 -8.93 -0.24 0
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147302 53786957 1 NO4C20H21 AB4C20D21 -102.45 1.31 -8.98 -0.62 0
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147303 53786958 1 N2O3C9H22 A2B3C9D22 -151.44 2.5 -9.19 1.93 0
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147304 53786959 1 N2F3O6C33H35 A2B3C6D33E35 -338.13 6.48 -8.9 -0.36 0
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147305 53786960 1 SO2C46H84 AB2C46D84 -207.11 2.82 -8.61 0.03 0
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147306 53786961 1 ClIOC10H12 ABCD10E12 -35.43 2.96 -9.43 -0.9 0
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147307 53786962 1 OSF2N3C25H27 ABC2D3E25F27 -57.22 2.23 -8.5 -0.37 0
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147308 53786963 1 O2C9H18 A2B9C18 -107.08 1.15 -10.09 1.25 0
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147309 53786965 1 O2N3H21C22 A2B3C21D22 2.29 4.07 -8.13 -0.46 0
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147310 53786966 1 ON2C26H30 AB2C26D30 19.94 2.97 -7.97 -0.71 0
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147311 53786967 1 PO4C25H29 AB4C25D29 -131.43 2.97 -7.81 -1.1 0
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147312 53786968 1 PSO4C21H33 ABC4D21E33 -197.81 6.45 -8.72 -0.42 0
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147313 53786969 1 SN6C20H28 AB6C20D28 102.39 6.77 -8.1 -0.13 0
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147314 53786970 1 O6C13H16 A6B13C16 -216.41 4.18 -9.46 -1.18 0
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147315 53786971 2 O6C13H21 A6B13C21 -561.78 3.38 -9.58 0.31 0
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147316 53786972 1 OSN4C17H24 ABC4D17E24 13.72 4.47 -7.88 -0.24 0
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147317 53786973 1 O3C19H30 A3B19C30 -161.72 5.04 -9.49 0.91 0
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147318 53786974 2 NO2C5H10 AB2C5D10 -111.76 3.74 -8.86 -0.54 0
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147319 53786975 1 SN2O2C13H14 AB2C2D13E14 -15.44 4.31 -9.09 -0.52 0
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147320 53786976 1 ON5C15H15 AB5C15D15 37.89 4.04 -8.86 -0.72 0