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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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81904 49855332 1 ClO2N3C50H62 AB2C3D50E62 4.83 2.65 -8.45 -0.13 0
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81905 49855333 1 SN4O4C30H36 AB4C4D30E36 -76.18 0.58 -8.08 -0.82 0
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81906 49855334 1 N2O9C20H24 A2B9C20D24 -177.88 2.18 -8.5 -1.32 0
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81907 49855335 1 S2N4O5C17H28 A2B4C5D17E28 -216.62 1.73 -8.36 -1.02 0
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81908 49855336 1 SN2O5C40H40 AB2C5D40E40 -129.96 10.81 -8.48 -0.95 0
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81909 49855337 1 ON3C25H37 AB3C25D37 -39.09 3.27 -8.95 0.11 0
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81910 49855339 1 NO3H23C24 AB3C23D24 -19.7 1.62 -9.53 -0.53 0
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81911 49855340 1 NO2C17H19 AB2C17D19 -9.48 2.33 -9.57 0.04 0
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81912 49855342 1 OF3H9C16 AB3C9D16 -87.49 5.99 -9.61 -1.28 0
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81913 49855343 1 O2F3H9C16 A2B3C9D16 -167.62 3.75 -9.38 -1.6 0
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81914 49855346 1 BrN2S3O7C32H39 AB2C3D7E32F39 -239.5 5.71 -9.91 -0.82 0
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81915 49855347 1 FNOPH19C20 ABCDE19F20 -58.82 4.94 -9.43 -0.16 0
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81917 49855350 1 O3C16H22 A3B16C22 -88.7 3.03 -8.8 0.14 0
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81918 49855351 1 NO6C25H37 AB6C25D37 -258.14 3.34 -8.86 -0.02 0
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81919 49855352 1 SiO5C25H42 AB5C25D42 -276.56 3.45 -8.73 0.13 0
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81920 49855353 1 SiO6C32H46 AB6C32D46 -293.11 2.0 -8.99 0.12 0
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81922 49855355 3 OC11H18 AB11C18 -205.02 1.42 -9.08 0.96 0
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81923 49855357 6 OC4H5 AB4C5 -218.06 4.96 -8.52 -0.21 0
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81924 49855358 2 O4H19C20 A4B19C20 -245.73 1.52 -7.91 -0.62 0
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81925 49855359 1 O7C25H34 A7B25C34 -348.65 3.35 -8.89 0.16 0
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81926 49855360 1 NC11H21 AB11C21 -19.94 2.14 -8.68 1.38 0
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81927 49855361 1 SO4N5C33H35 AB4C5D33E35 -70.21 8.87 -8.66 -1.04 0
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81928 49855363 1 SO4N5C31H31 AB4C5D31E31 -69.03 5.02 -8.52 -0.89 0
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81929 49855364 1 SO3N5C32H33 AB3C5D32E33 -40.5 6.67 -8.43 -0.85 0
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81930 49855365 1 ClO2N3H10C14 AB2C3D10E14 29.4 7.06 -8.74 -1.3 0
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81931 49855366 1 O2N3H13C15 A2B3C13D15 28.79 2.6 -8.46 -0.81 0
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81932 49855367 1 ClO2N3H12C15 AB2C3D12E15 19.02 3.27 -8.55 -1.07 0
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81933 49855368 1 O2F3N3H12C16 A2B3C3D12E16 -133.25 5.03 -8.67 -1.39 0
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81934 49855369 1 O2N3H15C16 A2B3C15D16 18.71 5.56 -8.38 -0.69 0
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81935 49855370 1 SO2N3H15C16 AB2C3D15E16 28.14 3.56 -8.49 -1.0 0
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81936 49855371 1 SN3O4H15C16 AB3C4D15E16 -53.79 6.83 -8.6 -1.34 0
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81937 49855372 1 O2N4C17H18 A2B4C17D18 26.93 4.35 -8.11 -0.51 0
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81938 49855373 1 FNO5H24C25 ABC5D24E25 -155.87 6.81 -8.4 -0.28 0
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81939 49855374 1 NCl2O5H23C25 AB2C5D23E25 -122.46 3.48 -8.39 -0.65 0
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81940 49855375 1 NF2O5H23C25 AB2C5D23E25 -197.19 6.05 -8.45 -0.69 0
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81941 49855376 1 NF3O5H24C26 AB3C5D24E26 -270.27 8.09 -8.48 -0.84 0
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81942 49855378 1 BN3O5C25H28 AB3C5D25E28 -221.1 6.42 -9.07 -0.59 0
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81943 49855379 1 BFN3O5C24H25 ABC3D5E24F25 -259.64 5.9 -9.29 -0.66 0
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81944 49855380 1 BClN2O4C16H24 ABC2D4E16F24 -265.15 2.7 -9.54 -0.34 0
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81945 49855381 1 BClN4O4C19H24 ABC4D4E19F24 -205.65 1.0 -9.61 -1.11 0
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81946 49855382 1 BClN2O4C25H28 ABC2D4E25F28 -217.56 0.94 -9.12 -0.71 0
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81947 49855383 1 BClN2O4C25H32 ABC2D4E25F32 -250.8 1.77 -9.12 -0.52 0
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81948 49855384 1 FNO3C16H20 ABC3D16E20 -184.83 6.07 -10.07 -0.55 0
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81949 49855391 1 BFN2O4C31H46 ABC2D4E31F46 -320.24 7.36 -9.61 -0.26 0
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81950 49855392 1 BN2O6C30H47 AB2C6D30E47 -362.03 7.35 -8.99 0.06 0
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81951 49855394 1 SN5O5C25H27 AB5C5D25E27 -67.52 3.39 -9.16 -1.2 0
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81952 49855395 1 SO4N5C21H21 AB4C5D21E21 -14.61 8.55 -9.22 -1.2 0
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81953 49855396 1 O2N3C19H23 A2B3C19D23 -39.37 2.59 -8.54 -0.59 0
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81954 49855398 2 ON2C12H13 AB2C12D13 11.34 2.64 -8.86 -0.69 0
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81955 49855399 1 N2O3C19H24 A2B3C19D24 -89.92 2.76 -8.62 -0.25 0
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81956 49855400 2 NO2C10H13 AB2C10D13 -141.76 3.57 -8.79 -0.35 0
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81957 49855401 1 N2O3C22H28 A2B3C22D28 -78.64 4.86 -8.57 -0.21 0
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81958 49855402 1 N3O3C19H25 A3B3C19D25 -96.81 3.16 -8.65 -0.26 0
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81959 49855404 1 N2O4C19H30 A2B4C19D30 -181.22 3.99 -8.4 -0.06 0
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81960 49855408 1 N2O2H10C13 A2B2C10D13 1.96 3.8 -8.93 -1.25 0
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81961 49855409 1 N2O3H12C15 A2B3C12D15 -49.49 7.16 -9.4 -1.3 0
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81962 49855410 2 NO2C9H9 AB2C9D9 -113.56 7.01 -9.41 -1.2 0
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81963 49855411 1 N2O2H10C13 A2B2C10D13 -1.74 6.08 -9.01 -1.15 0
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81964 49855412 1 N2O3H12C15 A2B3C12D15 -49.61 0.85 -9.4 -1.42 0
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81965 49855413 2 NO2C9H9 AB2C9D9 -112.88 2.76 -9.34 -1.28 0
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81966 49855415 1 FO2N4H25C28 AB2C4D25E28 5.62 5.07 -8.72 -0.7 0
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81967 49855416 1 O2N6C31H32 A2B6C31D32 15.45 8.35 -8.28 -0.82 0
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81968 49855417 1 ClO2N6C27H27 AB2C6D27E27 34.13 4.66 -8.63 -1.51 0
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81969 49855418 1 O2N5H23C26 A2B5C23D26 74.7 7.61 -8.74 -0.94 0
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81970 49855419 1 O2N5C28H29 A2B5C28D29 13.25 6.33 -8.52 -0.82 0
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81971 49855420 1 SO2N6H20C23 AB2C6D20E23 62.15 6.06 -8.74 -1.24 0
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81972 49855423 1 SN6O8H34C46 AB6C8D34E46 -95.37 7.77 -8.65 -1.26 0
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81973 49855424 1 SO5N6H22C25 AB5C6D22E25 -70.24 7.34 -8.76 -1.27 0
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81974 49855425 1 SN5O9C39H45 AB5C9D39E45 -269.89 5.73 -9.11 -0.81 0
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81975 49855427 1 SN5O9C39H45 AB5C9D39E45 -276.27 3.23 -9.08 -1.01 0
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81976 49855430 1 SN5O9C34H43 AB5C9D34E43 -312.81 8.27 -8.95 -0.67 0
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81977 49855431 1 SF2N5O9C34H41 AB2C5D9E34F41 -398.75 10.96 -9.93 -0.85 0
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81984 49855440 1 NO2C19H33 AB2C19D33 -128.22 5.98 -8.9 -0.18 0
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81985 49855441 1 NO5C16H27 AB5C16D27 -249.62 5.65 -9.52 -0.05 -1
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81986 49855442 1 AlBCaFMgSiO2H4 ABCDEFG2H4 -288.38 5.03 0.0 0.0 0
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81987 49855444 1 N2O3C15H20 A2B3C15D20 -92.28 3.41 -9.56 -0.74 0
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81988 49855445 1 O3N9C45H49 A3B9C45D49 42.86 8.08 -8.44 -0.64 0
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81989 49855447 1 N6O6C35H42 A6B6C35D42 -184.18 4.72 -8.72 -0.6 0
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81990 49855448 1 O2N6C25H26 A2B6C25D26 48.12 6.61 -8.86 -0.72 0
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81991 49855449 1 PO7C16H29 AB7C16D29 -406.26 2.84 -9.39 0.43 0
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81992 49855450 1 PO8C16H29 AB8C16D29 -447.32 3.23 -10.14 0.33 0
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81993 49855451 1 BrPO7C16H28 ABC7D16E28 -403.48 5.36 -9.93 -0.57 0
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81994 49855453 1 PO8C16H29 AB8C16D29 -429.12 4.58 -9.99 0.47 0
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81995 49855455 1 PSF3C12O12H20 ABC3D12E12F20 -732.79 1.76 -11.22 -1.65 0
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81996 49855457 1 N5O5C23H31 A5B5C23D31 -175.21 4.49 -8.83 -0.83 0
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81997 49855458 1 O3N5C23H29 A3B5C23D29 -83.21 5.63 -8.7 -0.77 0
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81998 49855459 1 O4N5C23H27 A4B5C23D27 -87.48 4.6 -8.73 -0.6 0
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81999 49855460 1 O3N6C25H28 A3B6C25D28 -37.52 3.2 -8.73 -0.7 0
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82004 49855465 1 N3O3C34H35 A3B3C34D35 -43.77 3.92 -8.8 -0.18 0
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82005 49855466 2 NO2C8H12 AB2C8D12 -190.15 2.16 -9.12 -0.21 0
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82006 49855467 1 SN2O6C17H26 AB2C6D17E26 -275.42 8.97 -8.62 -0.29 0
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82007 49855470 1 SN2O3H20C21 AB2C3D20E21 -51.7 4.76 -9.03 -0.9 0
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82008 49855472 1 O3N6F8H24C29 A3B6C8D24E29 -365.37 5.72 -9.2 -1.07 0
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82009 49855473 1 OF5N6H23C27 AB5C6D23E27 -127.1 4.52 -9.26 -1.12 0
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82010 49855474 1 O3N6F8H24C29 A3B6C8D24E29 -360.43 3.78 -9.27 -1.13 0
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82011 49855475 1 OF5N6H23C27 AB5C6D23E27 -127.49 2.56 -9.27 -1.13 0
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82012 49855476 1 O3N6F8H24C29 A3B6C8D24E29 -378.27 9.94 -9.23 -1.18 0
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82013 49855477 1 OF5N6H23C27 AB5C6D23E27 -136.23 4.88 -9.31 -1.16 0
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82014 49855478 1 O3N6F8H24C29 A3B6C8D24E29 -379.4 5.8 -9.01 -1.0 0
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82015 49855479 1 OF5N6H23C27 AB5C6D23E27 -137.29 4.68 -9.23 -1.1 0