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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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397216 135029900 1 O2C13H14 A2B13C14 -76.11 5.93 -9.88 -0.62 0
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397217 135029901 6 OC4H7 AB4C7 -359.83 4.96 -10.52 0.69 0
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397218 135029903 1 O8H14C21 A8B14C21 -257.94 3.03 -8.83 -1.06 0
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397219 135029904 1 NOS2H11C12 ABC2D11E12 60.97 4.72 -9.17 -1.0 0
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397220 135029905 1 SN2O4H14C15 AB2C4D14E15 11.37 5.28 -9.04 -1.4 0
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397221 135029906 1 BrNSO3H10C12 ABCD3E10F12 -69.23 3.84 -9.51 -1.44 0
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397223 135029908 1 O2N3H17C20 A2B3C17D20 120.89 8.61 -9.32 -0.78 0
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397224 135029909 1 Cl2N2O3H12C19 A2B2C3D12E19 17.14 8.67 -9.65 -1.33 0
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397225 135029910 1 O2N4C15H24 A2B4C15D24 5.61 9.94 -9.19 -0.99 0
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397226 135029911 1 N4O4C15H20 A4B4C15D20 -39.11 7.92 -9.31 -1.23 0
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397227 135029912 1 F3N3H20C22 A3B3C20D22 -66.42 7.0 -8.99 -0.31 0
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397228 135029913 1 O2F3N3C16H20 A2B3C3D16E20 -198.67 5.05 -9.07 -0.68 0
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397229 135029924 2 NO2H12C13 AB2C12D13 -20.81 8.42 -9.62 -1.39 0
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397230 135029927 2 OC10H21 AB10C21 -191.77 3.69 -10.04 2.39 0
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397231 135029928 1 NSiO7C16H31 ABC7D16E31 -391.2 5.1 -9.59 -0.06 0
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397232 135029929 1 NSiO8C36H71 ABC8D36E71 -531.27 4.49 -9.1 0.07 0
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397233 135029930 1 NO2C23H27 AB2C23D27 -66.23 2.76 -9.3 0.3 0
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397234 135029931 1 ON2H16C19 AB2C16D19 37.1 3.24 -9.54 -0.75 0
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397236 135029934 1 ON2H20C21 AB2C20D21 19.7 1.86 -9.24 -0.45 0
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397237 135029935 1 ON2H20C25 AB2C20D25 56.89 2.88 -9.33 -0.78 0
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397238 135029937 1 N4O5H6C9 A4B5C6D9 -1.89 3.03 -10.2 -2.2 0
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397239 135029940 2 NO4C11H14 AB4C11D14 -333.99 3.28 -9.7 -1.15 0
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397240 135029941 1 N2O4C15H16 A2B4C15D16 -112.39 6.32 -9.39 -1.6 0
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397241 135029942 1 SO2N3H21C29 AB2C3D21E29 80.19 1.22 -8.5 -0.7 0
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397243 135029945 1 SN2O12C22H40 AB2C12D22E40 -595.45 6.5 -10.07 -1.18 0
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397244 135029947 2 NO2C7H10 AB2C7D10 -134.0 2.41 -9.35 -0.56 0
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397245 135029950 1 OC16H16 AB16C16 20.1 1.41 -8.7 -0.59 0
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397246 135029951 1 NOCl2H7C15 ABC2D7E15 26.94 5.33 -9.0 -1.62 0
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397247 135029952 1 O2N3H17C20 A2B3C17D20 132.7 7.42 -9.52 -0.63 0
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397248 135029953 1 ON3H15C20 AB3C15D20 124.18 8.08 -9.07 -1.02 0
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397249 135029954 1 N2O3C17H18 A2B3C17D18 -66.12 6.09 -8.34 -0.45 0
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397250 135029955 1 SN3O3C23H29 AB3C3D23E29 -79.58 3.4 -8.62 -0.45 0
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397251 135029956 1 SiO3C13H26 AB3C13D26 -179.86 1.74 -8.86 0.43 0
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397252 135029958 1 SSiN2O6C23H36 ABC2D6E23F36 -264.15 5.54 -8.79 -0.66 0
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397253 135029959 1 SiO4C16H28 AB4C16D28 -210.3 2.34 -8.71 0.1 0
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397254 135029960 1 SiO5C24H44 AB5C24D44 -309.54 1.77 -8.88 -0.16 0
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397255 135029961 1 SSiN2O6C31H52 ABC2D6E31F52 -308.33 4.28 -8.81 -0.51 0
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397256 135029962 1 SiO4C24H44 AB4C24D44 -254.37 3.48 -8.68 0.06 0
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397257 135029963 1 SiO4C24H48 AB4C24D48 -308.25 3.45 -8.72 0.52 0
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397258 135029964 1 O3N5C26H37 A3B5C26D37 -43.84 7.0 -9.26 -0.9 0
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397259 135029965 4 OC5H8 AB5C8 -209.11 5.44 -9.27 0.77 0
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397260 135029966 1 ClN3O3H6C9 AB3C3D6E9 -8.98 5.42 -9.67 -1.39 0
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397261 135029968 1 Si2N3O12C54H103 A2B3C12D54E103 -774.07 2.08 -9.01 -0.01 0
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397262 135029969 4 NO2C8H14 AB2C8D14 -420.54 9.98 -9.9 -0.34 0
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397263 135029970 1 NO3C26H41 AB3C26D41 -185.19 2.19 -9.72 -0.03 0
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397264 135029971 1 NO9C49H65 AB9C49D65 -404.23 4.04 -8.76 -0.32 0
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397265 135029972 1 O6C19H22 A6B19C22 -226.52 8.03 -8.5 -0.24 0
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397266 135029975 1 O7C19H22 A7B19C22 -222.04 3.42 -8.3 -0.33 0
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397267 135029976 1 O9C25H34 A9B25C34 -356.63 1.89 -8.19 0.21 0
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397268 135029977 1 O7C20H24 A7B20C24 -231.65 5.91 -8.96 -0.24 0
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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