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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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440900 135232110 1 OC21H34 AB21C34 -88.63 1.68 -8.37 0.53 0
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440901 135232115 1 OH20C22 AB20C22 3.74 2.51 -8.24 -0.49 0
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440902 135232117 1 ON2C18H20 AB2C18D20 37.72 2.8 -8.53 -0.72 0
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440903 135232119 2 O5C28H39 A5B28C39 -375.34 2.19 -8.57 -1.39 0
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440904 135232130 1 FSO3H7C8 ABC3D7E8 -125.2 2.75 -9.42 -1.19 0
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440905 135232133 1 NO2C8H17 AB2C8D17 -99.3 2.8 -8.65 1.98 0
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440906 135232152 1 P2O4H30C35 A2B4C30D35 -145.38 9.46 -8.97 -0.8 0
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440907 135232153 1 ON4C14H20 AB4C14D20 -18.23 6.01 -8.47 -0.3 0
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440908 135232155 1 SN3C9H11 AB3C9D11 58.16 3.76 -7.85 -0.35 0
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440909 135232158 1 SN5C8H9 AB5C8D9 84.98 3.02 -8.89 -1.51 0
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440910 135232160 1 O3N5H23C25 A3B5C23D25 -18.32 7.29 -9.12 -0.67 0
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440911 135232161 1 SN3C11H15 AB3C11D15 37.95 3.75 -8.59 -0.5 0
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440912 135232163 1 ClIN4C16H18 ABC4D16E18 66.17 6.38 -9.39 -1.81 0
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440913 135232164 1 NO3C12H21 AB3C12D21 -137.81 4.67 -8.91 0.62 0
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440914 135232178 1 N4O4H26C29 A4B4C26D29 -37.01 7.61 -8.56 -0.51 0
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440915 135232180 1 SN5O6C20H27 AB5C6D20E27 -198.38 7.16 -9.06 -1.55 0
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440916 135232183 2 ON2H13C14 AB2C13D14 26.72 5.94 -8.56 -0.38 0
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440917 135232204 1 N4C9H12 A4B9C12 53.77 2.53 -8.14 0.07 0
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440918 135232218 1 FC20H23 AB20C23 -10.01 2.37 -8.44 -0.18 0
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440919 135232223 1 FO2C21H23 AB2C21D23 -95.33 4.44 -8.9 -0.52 0
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440920 135232244 1 SH26C27 AB26C27 110.6 1.47 -8.03 -0.9 0
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440921 135232245 1 NH27C28 AB27C28 149.59 1.53 -7.66 -0.88 0
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440922 135232246 1 NC26H29 AB26C29 57.75 3.86 -7.56 -0.16 0
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440923 135232249 1 NC28H33 AB28C33 91.62 3.39 -7.58 0.02 0
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440924 135232250 1 NC28H29 AB28C29 110.79 3.79 -7.65 -0.46 0
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440925 135232270 1 OC27H30 AB27C30 56.46 0.98 -7.83 -0.44 0
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440926 135232271 1 OH26C27 AB26C27 78.46 2.22 -8.03 -0.72 0
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440927 135232284 1 NOH23C38 ABC23D38 226.58 2.59 -7.85 -0.77 0
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440928 135232288 1 NSH23C38 ABC23D38 171.03 2.28 -7.98 -0.88 0
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440929 135232290 1 NOH27C44 ABC27D44 161.53 2.42 -8.0 -0.81 0
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440930 135232291 2 N2H14C23 A2B14C23 252.67 4.59 -7.85 -1.21 0
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440931 135232296 2 N2H15C22 A2B15C22 228.53 0.91 -8.22 -1.12 0
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440932 135232297 1 SH24C39 AB24C39 173.64 0.92 -8.25 -0.97 0
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440933 135232298 1 OSH18C32 ABC18D32 111.69 0.31 -8.32 -1.14 0
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440934 135232306 1 ON2H20C32 AB2C20D32 134.04 5.08 -8.63 -1.45 0
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440935 135232335 2 NH14C22 AB14C22 334.11 0.59 -7.83 -1.33 0
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440936 135232342 1 N3H55C70 A3B55C70 291.58 1.74 -7.8 -0.6 0
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440937 135232350 2 NH10C16 AB10C16 144.38 2.37 -7.89 -0.73 0
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440938 135232351 1 N5H25C41 A5B25C41 236.28 2.47 -8.02 -1.44 0
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440939 135232364 1 OH20C27 AB20C27 66.89 0.57 -7.9 -0.75 0
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440940 135232368 1 OH18C27 AB18C27 66.2 1.59 -8.19 -0.74 0
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440941 135232369 1 OH18C27 AB18C27 66.59 1.27 -8.23 -0.96 0
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440942 135232370 1 NH23C28 AB23C28 151.5 1.91 -7.76 -0.58 0
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440943 135232373 1 OH18C27 AB18C27 66.42 0.82 -8.19 -0.89 0
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440944 135232400 1 SO2N3C28H51 AB2C3D28E51 -115.28 3.84 -8.7 -0.66 0
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440945 135232401 1 SN2O5C30H54 AB2C5D30E54 -305.2 1.03 -9.19 -0.06 0
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440946 135232404 2 N2C5H7 A2B5C7 49.65 2.84 -8.12 0.14 0
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440947 135232407 1 O3N12C29H50 A3B12C29D50 43.19 11.16 -8.24 -0.38 0
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440948 135232410 1 SN2O4C34H58 AB2C4D34E58 -227.7 7.57 -8.69 0.02 1
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440949 135232418 1 N2O3C29H33 A2B3C29D33 -95.73 7.24 0.0 0.0 1
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440950 135232419 1 PN3O7C27H33 AB3C7D27E33 -308.91 10.28 0.0 0.0 1
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440951 135232422 1 N2O3C26H29 A2B3C26D29 -82.21 7.82 0.0 0.0 1
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440952 135232426 1 N3O3C28H32 A3B3C28D32 -73.59 7.46 0.0 0.0 1
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440953 135232428 1 N2O5C29H33 A2B5C29D33 -149.21 3.93 0.0 0.0 1
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440954 135232432 1 N2O5C30H33 A2B5C30D33 -164.91 9.36 0.0 0.0 0
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440955 135232439 1 NO4H21C23 AB4C21D23 -90.64 9.34 -8.52 -1.33 0
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440956 135232444 1 NPSO8H16C20 ABCD8E16F20 -321.65 13.08 -8.7 -1.96 0
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440957 135232448 1 NO4H21C23 AB4C21D23 -109.6 18.36 -8.69 -1.81 0
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440958 135232453 1 NO6C26H27 AB6C26D27 -188.41 17.25 -8.58 -1.69 1
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440959 135232460 1 SN2O2H27C31 AB2C2D27E31 36.77 8.36 0.0 0.0 1
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440960 135232466 1 SN2O6C29H35 AB2C6D29E35 -216.2 3.69 0.0 0.0 0
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440961 135232468 1 SN3O8C41H51 AB3C8D41E51 -235.74 34.5 -8.26 -2.36 1
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440962 135232469 1 SN3O8C41H52 AB3C8D41E52 -308.03 3.63 0.0 0.0 0
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440963 135232492 1 NO2C16H23 AB2C16D23 -75.68 3.53 -7.36 0.04 0
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440964 135232494 1 NOC16H23 ABC16D23 -37.4 0.41 -7.67 0.43 0
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440965 135232502 1 NO4C18H25 AB4C18D25 -175.69 10.78 -8.48 -0.11 0
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440966 135232510 1 NO4H27C29 AB4C27D29 -90.96 10.92 -8.28 -1.32 0
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440967 135232512 1 NO3H29C30 AB3C29D30 -47.82 11.91 -8.27 -1.22 0
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440968 135232513 1 SN4C8H10 AB4C8D10 58.88 2.12 -9.05 -1.2 0
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440969 135232516 1 N3C12H17 A3B12C17 53.62 2.88 -8.2 -0.07 0
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440970 135232525 1 SO2N4H18C20 AB2C4D18E20 -14.65 7.17 -8.56 -0.92 0
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440971 135232531 1 SO3N5H23C27 AB3C5D23E27 -10.44 6.18 -8.28 -1.18 0
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440972 135232534 1 SN4O5C22H22 AB4C5D22E22 -144.36 5.61 -8.46 -1.22 0
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440973 135232538 1 SO2N6C26H26 AB2C6D26E26 18.83 6.87 -8.25 -0.64 0
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440974 135232539 1 SO3N5C22H25 AB3C5D22E25 -58.11 8.55 -8.19 -0.52 0