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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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304944 124766342 1 N2O5C22H22 A2B5C22D22 -164.55 3.37 -9.2 -0.17 0
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304945 124766344 1 O4N6C19H20 A4B6C19D20 -55.18 12.73 -8.9 -0.98 0
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304949 124766350 1 O2N3C23H25 A2B3C23D25 -13.79 4.35 -9.26 -0.25 0
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304951 124766352 1 N2O7C28H34 A2B7C28D34 -245.28 3.94 -8.35 -0.08 0
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304952 124766353 1 N2O7C28H34 A2B7C28D34 -262.0 5.0 -8.44 -0.15 0
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304953 124766354 1 ClSN2O4C19H23 ABC2D4E19F23 -144.38 1.45 -8.69 -0.37 0
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304954 124766355 1 ClSN2O4C19H23 ABC2D4E19F23 -166.17 3.48 -8.55 -0.5 0
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304955 124766356 1 N2O6C23H26 A2B6C23D26 -164.61 1.73 -8.23 -0.29 0
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304956 124766357 1 N2O5C18H22 A2B5C18D22 -169.75 2.11 -8.89 -0.16 0
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304957 124766358 1 N3O4C25H37 A3B4C25D37 -183.88 3.6 -9.65 -0.14 0
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304958 124766359 1 N3O4C25H37 A3B4C25D37 -170.63 7.13 -9.41 -0.12 0
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304960 124766361 1 N4O5C31H38 A4B5C31D38 -71.56 6.31 -8.88 -0.86 0
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304961 124766362 1 N2O7C27H30 A2B7C27D30 -246.47 7.84 -8.71 -0.57 0
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304969 124766373 1 N2O7C27H30 A2B7C27D30 -226.24 6.59 -8.67 -0.52 0
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304970 124766374 1 N2O7C27H30 A2B7C27D30 -240.58 7.3 -8.68 -0.54 0
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304971 124766375 1 N2O5C15H18 A2B5C15D18 -164.88 3.35 -9.73 -0.09 0
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304972 124766376 1 N2O5C15H18 A2B5C15D18 -176.74 3.81 -9.72 -0.22 0
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304973 124766377 1 N2O5C17H20 A2B5C17D20 -188.71 4.14 -9.08 -0.17 0
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304974 124766378 1 N2O5C17H20 A2B5C17D20 -168.94 0.91 -8.91 -0.15 0
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304975 124766379 1 FN2O4C17H19 AB2C4D17E19 -192.59 3.09 -9.86 -0.46 0
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304976 124766380 1 FN2O4C17H19 AB2C4D17E19 -180.39 0.4 -9.94 -0.42 0
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304977 124766381 1 N2O5C20H20 A2B5C20D20 -136.4 1.59 -9.09 -0.27 0
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304978 124766382 1 N2O5C20H20 A2B5C20D20 -156.48 4.21 -9.22 -0.31 0
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304980 124766384 1 N4O5C24H34 A4B5C24D34 -155.2 8.78 -8.89 -0.4 0
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304981 124766385 1 ClN2O4C18H21 AB2C4D18E21 -160.44 3.45 -9.65 -0.53 0
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304982 124766386 1 ClN2O4C18H21 AB2C4D18E21 -145.44 3.19 -9.72 -0.56 0
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304983 124766388 2 NO3H13C14 AB3C13D14 -165.19 3.08 -8.89 -0.19 0
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304984 124766389 1 FN2O4C17H19 AB2C4D17E19 -202.95 4.11 -9.7 -0.55 0
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304987 124766400 1 N3O4C21H21 A3B4C21D21 -68.34 4.58 -8.64 -0.29 0
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304988 124766401 1 N3O4C21H21 A3B4C21D21 -73.96 1.3 -8.51 -0.41 0
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304989 124766402 1 S2N3O6C25H33 A2B3C6D25E33 -215.28 6.26 -8.76 -1.48 0
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304990 124766403 1 S2N3O6C25H33 A2B3C6D25E33 -214.78 6.44 -8.76 -1.51 0
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304991 124766404 1 N3O4C25H29 A3B4C25D29 -99.27 4.35 -9.61 -0.27 0
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304992 124766405 1 N3O4C25H29 A3B4C25D29 -99.78 7.61 -9.5 0.09 0
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304993 124766406 1 N3O4C25H29 A3B4C25D29 -101.36 1.29 -9.7 -0.03 0
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304994 124766407 1 N3O4C25H29 A3B4C25D29 -100.85 5.05 -9.62 0.05 0
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304995 124766408 1 N3O4C25H29 A3B4C25D29 -96.58 3.59 -9.54 0.0 0
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304996 124766409 1 N3O4C25H29 A3B4C25D29 -98.33 2.5 -9.58 -0.06 0
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304999 124766412 1 FO5N6C28H33 AB5C6D28E33 -139.15 1.74 -8.73 -0.41 0
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305000 124766413 1 FO5N6C28H33 AB5C6D28E33 -137.79 6.82 -8.94 -0.72 0
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305001 124766414 2 NO3H13C14 AB3C13D14 -170.45 2.73 -8.97 -0.38 0
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305002 124766415 2 NO3H13C14 AB3C13D14 -151.55 4.11 -8.92 -0.11 0
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305003 124766416 4 NO3C7H7 AB3C7D7 -352.42 10.96 -9.16 -1.76 0
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305004 124766417 4 NO3C7H7 AB3C7D7 -358.87 10.79 -9.19 -1.76 0
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305005 124766418 4 NO3C7H7 AB3C7D7 -355.72 8.16 -9.19 -1.78 0
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305006 124766419 4 NO3C7H7 AB3C7D7 -355.8 7.98 -9.24 -1.82 1
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305007 124766420 1 NO3C18H36 AB3C18D36 -147.07 3.47 0.0 0.0 1
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305008 124766421 1 NO3C18H36 AB3C18D36 -148.08 3.55 0.0 0.0 0
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305012 124766426 1 ON2C18H22 AB2C18D22 -2.25 2.48 -7.92 0.28 0
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305013 124766427 1 N2O9C17H20 A2B9C17D20 -301.79 11.0 -9.24 -0.93 0
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305017 124766431 1 NO3H31C33 AB3C31D33 -11.0 2.28 -9.19 -0.36 0
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305018 124766432 1 BrFNO3C23H23 ABCD3E23F23 -130.97 4.05 -8.78 -0.46 0
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305019 124766433 1 NO5C18H19 AB5C18D19 -156.72 9.06 -9.97 -0.68 0
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305020 124766434 1 NO5C18H19 AB5C18D19 -155.15 5.87 -9.74 -0.44 0
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305025 124766439 1 FN2O2H21C24 AB2C2D21E24 25.29 9.05 -8.71 -0.97 0
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305027 124766441 1 FN2O2H21C24 AB2C2D21E24 20.06 8.75 -8.74 -1.0 0
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305033 124766447 1 BrN2O6C33H33 AB2C6D33E33 -201.27 2.02 -9.2 -0.9 0
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305034 124766448 1 NOC21H27 ABC21D27 -21.04 2.18 -9.12 0.39 0
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305035 124766449 1 NOC21H27 ABC21D27 -24.62 3.32 -8.97 0.37 0
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305037 124766451 1 NO4C20H30 AB4C20D30 -122.19 18.57 0.0 0.0 1
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305038 124766452 1 NO4C20H30 AB4C20D30 -128.03 2.06 0.0 0.0 0
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305039 124766453 2 ClNO2H10C15 ABC2D10E15 -35.28 3.43 -9.49 -1.01 0
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305041 124766455 1 NCl2O6C15H19 AB2C6D15E19 -266.46 3.66 -9.86 -0.79 0
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305042 124766457 1 NCl2O6C15H19 AB2C6D15E19 -267.48 2.44 -9.76 -0.68 0
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305043 124766458 1 NCl2O6C15H19 AB2C6D15E19 -268.65 3.4 -9.85 -0.78 0
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305044 124766459 1 NOC23H31 ABC23D31 -28.14 2.37 -9.03 0.21 0
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305045 124766460 1 NOC23H31 ABC23D31 -32.39 2.5 -9.06 0.3 0
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305046 124766461 1 NO3H23C27 AB3C23D27 -25.88 2.29 -8.85 0.06 0
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305047 124766462 1 NO3H23C27 AB3C23D27 -26.63 1.99 -8.86 0.02 0
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305049 124766465 1 ClNO2H22C25 ABC2D22E25 -18.02 7.97 -8.64 -0.57 0
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305050 124766466 1 ClSN3O6H18C20 ABC3D6E18F20 -63.02 7.55 -9.27 -1.77 0
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305051 124766467 1 ClSN3O6H18C20 ABC3D6E18F20 -73.93 3.52 -9.17 -1.65 0
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305052 124766468 1 ClSN3O6H18C20 ABC3D6E18F20 -58.26 9.33 -9.31 -1.6 0
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305053 124766470 1 I2N2O6H20C27 A2B2C6D20E27 -119.38 1.72 -9.28 -1.2 0
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305054 124766472 1 ClSN3O6C22H22 ABC3D6E22F22 -67.29 7.97 -9.21 -1.82 0
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305055 124766473 1 ClSN3O6C22H22 ABC3D6E22F22 -66.62 9.47 -9.28 -1.6 0
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305056 124766474 1 ClSN3O6C22H22 ABC3D6E22F22 -82.54 3.41 -9.15 -1.64 0
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305057 124766475 1 ClSN3O6C22H22 ABC3D6E22F22 -81.2 3.89 -9.26 -1.98 0
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305058 124766477 1 ClO3N5C16H20 AB3C5D16E20 58.76 3.62 -9.46 -1.85 0
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305064 124766484 1 FNO6C18H22 ABC6D18E22 -281.95 4.9 -8.95 -0.26 0
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305065 124766485 1 FNO6C18H22 ABC6D18E22 -258.53 4.88 -9.07 -0.34 1
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305067 124766487 1 NO4C19H26 AB4C19D26 -116.94 2.16 0.0 0.0 1
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305068 124766488 1 NO4C19H26 AB4C19D26 -115.02 2.38 0.0 0.0 0
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305073 124766493 1 SN3O4C23H27 AB3C4D23E27 -52.28 2.06 -8.8 -0.78 0
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305078 124766498 1 N2O6C7H14 A2B6C7D14 -273.21 5.32 -10.14 0.53 0
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305079 124766499 1 N2O6C7H14 A2B6C7D14 -273.76 3.21 -10.05 0.52 1
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305081 124766502 1 NC14H24 AB14C24 17.65 0.2 0.0 0.0 1
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305087 124766508 1 NO3H13C18 AB3C13D18 -1.45 2.17 -8.88 -0.64 0
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305088 124766509 1 SN3O3C15H23 AB3C3D15E23 -118.56 8.78 -9.79 -0.88 0
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305092 124766514 1 BrN2O4H33C36 AB2C4D33E36 -68.37 2.06 -9.13 -0.84 0
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305093 124766515 1 ClS2N4O6H21C24 AB2C4D6E21F24 -22.29 11.36 -9.22 -1.78 0
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305094 124766517 1 ClSN4O8H19C25 ABC4D8E19F25 -38.28 7.05 -9.76 -2.05 0
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305095 124766518 1 ClSN4O8H19C25 ABC4D8E19F25 -33.54 6.38 -9.45 -1.73 0
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305096 124766519 1 ClSN4O8H19C25 ABC4D8E19F25 -32.38 6.84 -9.13 -1.7 0
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305097 124766520 1 ClSN4O8H19C25 ABC4D8E19F25 -30.0 8.17 -9.7 -2.02 0
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305098 124766521 1 ClSN3O6H16C19 ABC3D6E16F19 -56.21 3.31 -9.05 -1.54 0
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305099 124766522 1 ClSN3O6H16C19 ABC3D6E16F19 -60.92 6.79 -9.57 -1.86 0
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305101 124766525 1 NF3O3H14C16 AB3C3D14E16 -236.9 6.87 -9.75 -0.94 0
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305102 124766526 1 BrN2O3H13C16 AB2C3D13E16 -4.09 2.61 -9.97 -0.78 0
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305103 124766527 1 N3O9C23H31 A3B9C23D31 -374.77 2.99 -8.49 -0.17 0