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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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138413 52363055 1 N3C19H19 A3B19C19 90.81 0.37 -8.96 -0.48 0
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138414 52363365 1 NSF3O4C18H18 ABC3D4E18F18 -275.86 5.32 -9.36 -1.12 1
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138415 52364058 1 FOSN3C15H19 ABCD3E15F19 -37.23 10.21 0.0 0.0 0
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138416 52364279 1 O2N5C20H25 A2B5C20D25 -28.35 8.8 -8.4 -0.25 0
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138417 52364473 1 OSN5C16H25 ABC5D16E25 -4.3 7.82 -9.19 -1.15 0
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138418 52365167 1 N2O2C19H20 A2B2C19D20 -33.92 2.82 -8.99 -0.35 0
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138419 52365176 1 ClO2N5C17H18 AB2C5D17E18 2.27 6.03 -9.63 -1.02 0
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138420 52365177 1 ClO2N5C17H18 AB2C5D17E18 1.84 6.76 -9.65 -1.05 0
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138421 52365178 1 FON3C20H24 ABC3D20E24 -35.53 6.23 -8.92 -0.19 0
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138422 52365179 1 FON3C20H24 ABC3D20E24 -30.38 3.11 -9.12 -0.3 1
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138423 52365180 1 F2N3O3C20H24 A2B3C3D20E24 -141.64 15.13 0.0 0.0 1
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138424 52365181 1 ClO2N3C19H23 AB2C3D19E23 -14.96 17.49 0.0 0.0 1
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138425 52365182 1 O2N3C23H28 A2B3C23D28 -13.01 9.28 0.0 0.0 1
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138426 52365183 1 OSN3C22H24 ABC3D22E24 59.41 15.27 0.0 0.0 0
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138427 52365685 1 OSN2C16H18 ABC2D16E18 21.96 3.09 -9.26 -0.39 0
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138428 52365686 1 N2O3C18H22 A2B3C18D22 -82.93 4.44 -8.8 0.1 0
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138429 52366154 1 O2N3C25H29 A2B3C25D29 -30.42 3.04 -8.87 -0.5 0
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138430 52366155 1 O2N3C25H29 A2B3C25D29 -25.73 4.82 -8.98 -0.61 0
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138431 52366471 1 N2O3C12H22 A2B3C12D22 -147.58 3.97 -8.93 0.55 0
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138432 52366472 1 SN2O2C13H20 AB2C2D13E20 -59.89 1.75 -8.62 -0.05 0
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138433 52366532 1 ClN2O4C13H17 AB2C4D13E17 -167.61 2.83 -9.44 -0.76 0
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138434 52366886 1 OSN2H22C24 ABC2D22E24 33.37 3.64 -8.81 -0.67 0
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138435 52366887 1 ClSN2O3C20H23 ABC2D3E20F23 -97.59 3.96 -8.71 -0.35 -2
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138436 52366987 1 SN2O3H14C19 AB2C3D14E19 55.9 14.5 -9.5 -3.93 -2
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138437 52366988 1 SN2O4H14C19 AB2C4D14E19 27.72 14.2 -9.61 -3.98 -2
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138438 52366989 1 SN2O4H14C19 AB2C4D14E19 24.11 14.49 -9.44 -3.84 1
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138439 52367242 1 ON5C21H28 AB5C21D28 28.07 4.83 0.0 0.0 0
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138440 52367320 1 F2O3N4H16C18 A2B3C4D16E18 -38.48 3.99 -9.29 -1.47 0
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138441 52367498 1 N2O3C22H30 A2B3C22D30 -157.16 4.51 -8.9 -0.12 0
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138442 52367806 1 F2O2N5H13C20 A2B2C5D13E20 -33.08 6.1 -9.25 -1.78 0
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138443 52367852 1 O3N4C23H26 A3B4C23D26 -93.71 2.87 -8.77 -1.0 0
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138444 52368114 2 NO2C9H13 AB2C9D13 -166.84 3.27 -8.39 0.04 0
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138445 52368115 2 NO2C9H13 AB2C9D13 -170.73 2.24 -8.57 -0.07 1
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138446 52368386 1 O2N3C19H34 A2B3C19D34 -80.61 2.44 0.0 0.0 0
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138447 52368387 1 O2N3C19H33 A2B3C19D33 -84.81 4.39 -8.9 -0.01 1
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138448 52368576 1 N2O2C17H23 A2B2C17D23 14.39 3.72 0.0 0.0 0
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138449 52368577 1 N2O2C17H22 A2B2C17D22 8.25 4.81 -8.44 0.46 1
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138450 52368963 1 N3O3C22H36 A3B3C22D36 -125.46 7.77 0.0 0.0 0
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138451 52368969 1 N3O4C18H21 A3B4C18D21 -53.22 9.24 -9.08 -1.29 0
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138452 52369064 1 ClFNSO4H15C16 ABCDE4F15G16 -168.8 5.27 -9.51 -0.99 0
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138453 52369065 1 NSO6H15C17 ABC6D15E17 -166.71 12.4 -8.59 -1.08 0
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138454 52369179 1 ON3S3C11H13 AB3C3D11E13 12.44 3.29 -8.79 -0.73 0
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138455 52369180 1 SO3N5C17H19 AB3C5D17E19 -74.1 4.91 -9.21 -1.53 0
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138456 52369181 1 SO2N3C17H17 AB2C3D17E17 -16.37 7.35 -8.56 -0.66 0
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138457 52369418 1 ON3C20H31 AB3C20D31 -48.85 3.12 -8.62 0.29 0
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138458 52369570 1 ClSO2N4H15C16 ABC2D4E15F16 15.65 9.72 -9.04 -0.76 0
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138459 52369748 2 N2O2C11H16 A2B2C11D16 -191.66 5.03 -8.61 0.28 0
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138460 52369782 1 F2O2N3C16H21 A2B2C3D16E21 -170.52 3.48 -8.98 -0.6 0
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138461 52369783 1 F2O2N3C16H21 A2B2C3D16E21 -171.44 4.2 -8.92 -0.53 0
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138462 52369784 1 ClO2F3N3H15C19 AB2C3D3E15F19 -125.29 1.24 -8.94 -1.19 -1
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138463 52369785 1 SF2N3O3C16H16 AB2C3D3E16F16 -132.5 7.68 0.0 0.0 0
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138464 52370007 1 Cl2N2S2O6C17H20 A2B2C2D6E17F20 -203.16 5.71 -9.06 -1.05 0
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138465 52370159 1 O2N4C21H26 A2B4C21D26 -43.7 4.48 -8.61 -0.7 1
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138466 52370493 1 N2O2F6C16H21 A2B2C6D16E21 -380.7 5.91 0.0 0.0 0
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138467 52370494 2 NOF3C8H10 ABC3D8E10 -398.19 3.02 -9.47 -0.28 1
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138468 52370495 3 FNOC5H7 ABCD5E7 -265.93 5.13 0.0 0.0 0
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138469 52370496 1 F3N3O3C15H20 A3B3C3D15E20 -277.76 3.02 -9.17 -0.12 1
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138470 52370577 1 O2F3N3C19H27 A2B3C3D19E27 -196.16 6.08 0.0 0.0 0
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138471 52370578 1 O2F3N3C19H26 A2B3C3D19E26 -210.55 8.21 -9.16 0.1 1
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138472 52370579 1 OF3N6C16H22 AB3C6D16E22 -129.02 4.24 0.0 0.0 0
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138473 52370682 1 SO3N4C18H24 AB3C4D18E24 -79.74 9.34 -8.36 -0.55 1
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138474 52370687 1 NC5H12 AB5C12 33.43 3.03 0.0 0.0 0
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138475 52370750 1 ClON3C20H22 ABC3D20E22 28.43 1.82 -8.69 -0.06 0
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138476 52370813 1 ON2C18H26 AB2C18D26 -43.32 3.91 -8.51 0.24 1
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138477 52370814 1 ClN2O2C15H22 AB2C2D15E22 -67.43 2.37 0.0 0.0 1
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138478 52370860 1 FN2O3C21H24 AB2C3D21E24 -112.99 3.13 0.0 0.0 1
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138479 52370875 1 FN2O3C15H24 AB2C3D15E24 -130.47 4.72 0.0 0.0 0
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138480 52371249 1 O2N4C21H28 A2B4C21D28 -53.33 3.84 -8.76 -0.57 1
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138481 52371250 1 O2N4C21H29 A2B4C21D29 -31.54 5.77 0.0 0.0 0
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138482 52371682 1 SO2N4C19H26 AB2C4D19E26 -47.54 7.02 -9.34 -0.46 1
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138483 52372529 1 ON4C20H25 AB4C20D25 10.96 3.08 0.0 0.0 0
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138484 52372538 1 FON2C19H21 ABC2D19E21 -62.81 2.07 -9.36 0.04 0
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138485 52372539 1 FON2C18H21 ABC2D18E21 -66.87 2.14 -9.47 0.02 0
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138486 52372810 1 O3N4C22H24 A3B4C22D24 -67.02 10.25 -8.54 -0.5 0
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138487 52372811 1 O3N4C22H24 A3B4C22D24 -67.54 5.52 -8.57 -0.43 0
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138488 52372812 1 O3N4H18C20 A3B4C18D20 -23.86 5.66 -8.71 -0.73 0
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138489 52372940 1 N3O5C20H25 A3B5C20D25 -105.64 5.1 -8.62 -0.37 0
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138490 52373016 1 SO2N4C20H22 AB2C4D20E22 16.09 2.1 -9.13 -0.48 0
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138491 52373063 1 N4O5C16H18 A4B5C16D18 -47.06 4.23 -9.8 -1.54 0
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138492 52373332 1 FON3C21H22 ABC3D21E22 -35.49 2.02 -8.81 -0.19 0
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138493 52373653 1 SO2N3C20H25 AB2C3D20E25 -59.15 3.26 -8.76 -0.48 0
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138494 52373760 1 F2N2O2H18C19 A2B2C2D18E19 -132.77 3.03 -9.33 -0.56 0
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138495 52374508 1 SN3O4C18H19 AB3C4D18E19 -107.33 8.24 -9.18 -0.6 0
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138496 52374602 1 Cl2N2O3H12C18 A2B2C3D12E18 -36.29 5.99 -9.19 -1.02 0
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138497 52374788 1 O2N4C17H18 A2B4C17D18 -11.75 6.89 -8.99 -0.38 0
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138498 52375046 1 ClSN3O3C15H20 ABC3D3E15F20 -69.66 4.95 -8.98 -1.0 0
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138499 52375222 1 O2S2N4C15H16 A2B2C4D15E16 -6.14 4.43 -8.7 -0.89 0
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138500 52375275 1 ON5C18H23 AB5C18D23 21.75 7.09 -8.74 0.04 0
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138501 52375391 1 SO2N3C17H21 AB2C3D17E21 -57.97 4.91 -8.96 -0.58 0
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138502 52376086 1 BrO4N5C13H20 AB4C5D13E20 -44.47 5.62 -9.36 -0.99 0
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138503 52376170 1 N3C7H11 A3B7C11 53.22 2.38 -9.25 0.59 0
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138504 52376353 1 N2O3C21H22 A2B3C21D22 -83.26 0.59 -8.99 -0.56 0
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138505 52376354 1 N2O3C21H22 A2B3C21D22 -82.74 1.26 -9.07 -0.65 0
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138506 52376355 1 NO4C24H27 AB4C24D27 -110.52 3.92 -8.66 -0.44 -1
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138507 52376612 1 O2N4C7H7 A2B4C7D7 19.32 4.39 0.0 0.0 0
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138508 52377078 1 SN2O4H16C20 AB2C4D16E20 -37.52 2.1 -8.75 -1.23 0
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138509 52377079 1 N2O7C20H20 A2B7C20D20 -192.22 6.81 -8.89 -1.64 -1
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138510 52377151 1 NSO4C11H12 ABC4D11E12 -84.67 6.03 0.0 0.0 1
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138511 52377241 1 ClO2N4C21H32 AB2C4D21E32 -89.16 5.54 0.0 0.0 0
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138512 52377761 1 N2O3C20H26 A2B3C20D26 -80.68 4.48 -8.97 0.18 0