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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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320907 126664228 1 FO2N5C21H24 AB2C5D21E24 -29.42 3.15 -8.37 -0.38 0
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320908 126664230 1 FO2N5C20H24 AB2C5D20E24 -50.47 5.35 -8.44 -0.5 0
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320909 126664231 1 SO4C14H20 AB4C14D20 -177.89 5.74 -9.58 -0.69 0
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320910 126664232 1 Cl2N3H7C8 A2B3C7D8 47.77 7.27 -9.12 -1.03 0
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320911 126664233 1 BrFN3O3C23H25 ABC3D3E23F25 -95.14 3.76 -8.78 -0.7 0
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320912 126664234 1 BrFN3O3C23H25 ABC3D3E23F25 -94.7 7.13 -8.7 -0.62 0
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320913 126664235 1 O3N5C31H39 A3B5C31D39 -43.26 2.0 -8.13 -0.25 0
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320914 126664236 1 O3N5C31H39 A3B5C31D39 -42.59 8.31 -8.1 -0.24 0
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320915 126664238 1 ClO3N4C23H27 AB3C4D23E27 -69.45 4.72 -8.72 -0.5 0
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320916 126664239 1 ClO3N4C23H27 AB3C4D23E27 -69.02 8.14 -8.75 -0.66 0
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320917 126664240 1 BrFO2C9H10 ABC2D9E10 -118.42 3.71 -9.61 -0.61 0
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320918 126664241 1 ON4C16H20 AB4C16D20 31.97 3.52 -8.28 -0.76 0
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320919 126664242 1 NO5C19H19 AB5C19D19 -149.9 4.84 -8.97 -0.17 0
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320920 126664244 1 NSO5C22H27 ABC5D22E27 -186.47 4.4 -8.81 -0.68 0
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320921 126664251 1 ClO2N4C14H17 AB2C4D14E17 -47.57 7.29 -8.92 -0.71 0
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320922 126664252 1 FN2H5C7 AB2C5D7 75.52 2.22 -8.99 -0.59 0
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320923 126664254 1 O3N6C20H26 A3B6C20D26 -54.1 7.64 -8.44 -0.47 0
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320924 126664255 1 O3N6C20H26 A3B6C20D26 -54.13 7.59 -8.44 -0.47 1
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320925 126664256 1 ClNC18H41 ABC18D41 -79.94 1.79 0.0 0.0 0
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320926 126664257 1 BrFO2N3C14H15 ABC2D3E14F15 -71.98 5.52 -8.79 -0.7 0
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320927 126664258 1 BrFO2N3C14H15 ABC2D3E14F15 -68.07 5.44 -9.06 -0.98 0
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320928 126664259 1 BrON2C10H11 ABC2D10E11 11.8 6.07 -8.41 -0.28 0
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320929 126664260 1 BrO2N3C15H18 AB2C3D15E18 -38.18 5.96 -8.8 -0.73 0
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320930 126664261 1 BrO2N3C15H18 AB2C3D15E18 -38.01 9.95 -8.71 -0.63 0
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320931 126664262 1 NO5C12H13 AB5C12D13 -181.93 5.92 -9.29 -0.38 0
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320932 126664263 2 O2C4H5 A2B4C5 -154.99 2.1 -9.22 -0.01 0
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320933 126664264 3 OC2H4 AB2C4 -136.2 1.49 -10.13 0.28 0
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320934 126664265 1 ClN4O4C21H23 AB4C4D21E23 -98.79 2.75 -8.86 -0.63 0
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320935 126664266 1 O3N5C25H33 A3B5C25D33 -67.78 4.08 -8.3 -0.36 0
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320936 126664267 1 O3N5C25H33 A3B5C25D33 -65.78 5.34 -8.37 -0.46 0
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320937 126664268 1 ClN4O4C21H23 AB4C4D21E23 -93.29 6.34 -8.7 -0.47 0
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320938 126664269 1 O2F4N5C20H21 A2B4C5D20E21 -199.96 5.59 -8.52 -0.62 0
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320939 126664270 1 O2F4N5C20H21 A2B4C5D20E21 -201.5 4.98 -8.41 -0.45 0
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320940 126664271 1 BrN3O3C24H28 AB3C3D24E28 -61.43 8.88 -8.64 -0.65 0
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320941 126664272 1 BrN3O3C24H28 AB3C3D24E28 -60.28 6.28 -8.72 -0.64 0
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320942 126664273 1 IO2N3C15H26 AB2C3D15E26 -11.76 2.23 -9.18 -2.06 0
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320943 126664274 1 O2N4C15H18 A2B4C15D18 -16.27 1.57 -8.58 -0.26 0
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320944 126664275 1 BrFON2H6C8 ABCD2E6F8 -11.31 7.11 -9.02 -1.5 0
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320945 126664276 1 BrON2C9H9 ABC2D9E9 16.07 7.84 -8.68 -1.15 0
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320946 126664277 1 NO4C13H17 AB4C13D17 -157.18 6.78 -9.19 -0.18 0
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320947 126664284 1 ClSF4N4O4C31H41 ABC4D4E4F31G41 -343.29 5.11 -8.68 -0.36 0
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320948 126664285 1 SF5O5N6C30H31 AB5C5D6E30F31 -339.37 5.14 -9.28 -1.6 0
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320949 126664286 1 ClFSO3N5C26H37 ABCD3E5F26G37 -125.82 7.98 -8.74 -0.57 0
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320950 126664287 1 SF5O5N6C30H33 AB5C5D6E30F33 -354.95 7.68 -8.87 -1.42 0
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320951 126664288 1 SF2N4O5C31H40 AB2C4D5E31F40 -254.21 9.15 -9.37 -0.49 0
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320952 126664289 1 ClFSN4O4C28H36 ABCD4E4F28G36 -162.26 9.19 -8.91 -0.46 0
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320953 126664290 1 SF2N4O5C31H42 AB2C4D5E31F42 -261.72 5.26 -8.41 -0.6 0
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320954 126664291 1 ClFSN4O4C28H38 ABCD4E4F28G38 -161.72 3.27 -8.43 -0.58 0
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320955 126664292 1 NF3O4C19H20 AB3C4D19E20 -307.41 4.01 -9.92 -0.73 0
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320956 126664293 1 SO3F4N4C29H36 AB3C4D4E29F36 -275.53 10.27 -8.95 -0.5 0
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320957 126664294 1 ClSO3F4N7C28H34 ABC3D4E7F28G34 -218.33 10.38 -8.55 -0.67 0
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320958 126664296 1 SF5N5O5C31H32 AB5C5D5E31F32 -369.54 8.17 -9.3 -0.96 0
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320959 126664297 1 ClSF2N5O5C30H40 ABC2D5E5F30G40 -256.48 5.72 -8.44 -1.09 0
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320960 126664299 1 SF2N4O5C30H38 AB2C4D5E30F38 -251.16 4.94 -9.36 -0.35 0
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320961 126664300 1 SF2N4O5C30H40 AB2C4D5E30F40 -256.73 8.12 -8.47 -0.79 0
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320962 126664301 1 SO3F4N4C31H36 AB3C4D4E31F36 -116.99 5.0 -7.99 -0.84 0
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320963 126664302 1 SO3F4N4C31H34 AB3C4D4E31F34 -100.81 7.09 -9.17 -0.69 0
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320964 126664303 1 ClN4O4C19H25 AB4C4D19E25 -112.99 3.1 -9.47 -0.62 0
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320965 126664305 1 ClFSO4N5C30H41 ABCD4E5F30G41 -172.65 6.58 -8.95 -0.35 0
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320966 126664307 1 SF2N4O6C30H40 AB2C4D6E30F40 -296.65 3.29 -8.7 -0.4 0
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320967 126664308 1 SF2N4O6C30H38 AB2C4D6E30F38 -274.02 4.87 -9.34 -0.46 0
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320968 126664310 1 ClFSN5O7C33H45 ABCD5E7F33G45 -292.87 4.28 -8.45 -0.42 0
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320969 126664312 1 ClO4N5H24C26 AB4C5D24E26 -29.19 4.31 -9.19 -0.65 0
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320970 126664313 1 ClN4O4C24H25 AB4C4D24E25 -58.16 6.53 -9.54 -0.56 0
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320971 126664314 1 ClFSN4O6C32H44 ABCD4E6F32G44 -297.15 9.3 -8.07 -0.38 0
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320972 126664316 1 N2O6C27H34 A2B6C27D34 -224.96 5.65 -9.4 -0.21 0
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320973 126664318 1 SF2N4O5C34H40 AB2C4D5E34F40 -207.29 4.11 -8.43 -0.43 0
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320974 126664320 1 ClFSN4O5C30H40 ABCD4E5F30G40 -228.67 5.75 -9.1 -0.28 0
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320975 126664321 1 ClFSN4O5C30H42 ABCD4E5F30G42 -229.41 7.38 -8.61 -0.48 0
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320976 126664322 1 ClFSO4N6C31H38 ABCD4E6F31G38 -130.49 7.6 -9.09 -0.46 0
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320977 126664323 1 ClFSO4N6C31H40 ABCD4E6F31G40 -124.07 9.85 -8.48 -0.63 0
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320978 126664329 1 ClN5O5C27H30 AB5C5D27E30 -122.14 4.42 -9.44 -0.67 0
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320979 126664330 1 ClN5O5C27H30 AB5C5D27E30 -124.62 5.27 -9.57 -0.68 0
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320980 126664331 1 FN2O3C16H17 AB2C3D16E17 -126.46 2.67 -9.69 -0.57 0
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320981 126664332 1 ClFSN4O4C31H42 ABCD4E4F31G42 -213.08 12.88 -8.51 -0.08 0