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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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327326 126689543 1 ClO2N3H14C16 AB2C3D14E16 14.12 2.84 -8.78 -0.82 0
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327327 126689546 1 BrO2N3H8C12 AB2C3D8E12 25.45 1.56 -9.0 -1.17 0
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327328 126689547 1 ON3H13C14 AB3C13D14 29.1 3.63 -8.78 -0.79 0
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327329 126689554 1 NO3F6H31C33 AB3C6D31E33 -377.79 4.73 -9.38 -0.66 0
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327330 126689557 2 N4H19C21 A4B19C21 359.95 3.73 -8.94 -1.8 0
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327331 126689558 2 N4H18C21 A4B18C21 398.83 4.71 -9.27 -2.11 0
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327332 126689564 1 NO3F4H31C32 AB3C4D31E32 -266.14 4.75 -9.15 -0.38 0
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327333 126689568 1 NF4O4H29C31 AB4C4D29E31 -305.44 6.66 -9.28 -0.7 0
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327334 126689569 1 N2O4C27H28 A2B4C27D28 -74.48 9.09 -8.52 -0.09 0
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327335 126689573 1 SO3F4H16C18 AB3C4D16E18 -299.67 5.02 -9.46 -0.66 0
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327336 126689580 1 NO3C29H29 AB3C29D29 -48.03 3.68 -8.28 0.01 0
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327337 126689583 1 F3O3N4H21C30 A3B3C4D21E30 -113.72 3.1 -8.72 -1.44 0
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327338 126689584 1 ClN3O3C14H14 AB3C3D14E14 -38.46 4.27 -10.27 -1.33 1
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327339 126689585 1 ClN3O3C14H15 AB3C3D14E15 -36.09 1.13 0.0 0.0 0
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327340 126689586 1 ClN3O3C14H14 AB3C3D14E14 -28.35 7.26 -9.98 -1.56 0
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327341 126689595 1 N2O3F4C33H34 A2B3C4D33E34 -264.26 3.06 -8.9 -0.56 0
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327342 126689596 1 N2F4O5C34H34 A2B4C5D34E34 -359.31 8.58 -9.37 -0.64 0
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327343 126689614 1 O7C11H14 A7B11C14 -282.04 3.49 -10.2 -1.08 0
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327344 126689617 1 N3O4C8H9 A3B4C8D9 -113.07 7.19 -9.67 -0.73 0
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327345 126689626 1 N3O3C17H21 A3B3C17D21 -71.11 7.7 -8.79 -0.86 0
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327346 126689635 1 FSO6N7H28C33 ABC6D7E28F33 -86.85 4.13 -8.43 -0.96 0
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327347 126689636 1 F3O3N5H26C29 A3B3C5D26E29 -147.54 6.82 -9.46 -1.54 0
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327348 126689639 1 NSO5C19H39 ABC5D19E39 -269.37 8.66 -8.74 0.32 0
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327349 126689641 1 SN2O5C22H46 AB2C5D22E46 -283.26 17.32 -9.7 -0.18 1
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327350 126689642 1 SN2O5C22H47 AB2C5D22E47 -278.17 8.18 0.0 0.0 0
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327351 126689645 1 NO4C21H41 AB4C21D41 -253.74 6.33 -9.63 0.72 0
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327352 126689647 1 ClNaPC4O4H10 ABCD4E4F10 -299.27 8.25 0.0 0.0 0
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327353 126689650 1 ClPC2Na2H4O4 ABC2D2E4F4 -326.37 8.24 -8.65 0.67 0
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327354 126689661 1 N2O3C21H42 A2B3C21D42 -207.63 8.31 -9.76 0.64 0
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327355 126689670 1 ON2C24H50 AB2C24D50 -145.56 4.66 -9.03 1.54 0
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327356 126689675 1 N2O3C20H40 A2B3C20D40 -205.13 5.56 -9.35 0.84 0
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327357 126689676 1 N2O3C20H40 A2B3C20D40 -187.74 9.51 -9.4 0.0 1
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327358 126689677 1 N2O3C20H41 A2B3C20D41 -178.22 5.98 0.0 0.0 0
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327359 126689678 1 PNa2C3H5O5 AB2C3D5E5 -326.12 7.9 -8.57 0.84 0
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327360 126689679 1 NaPC3O5H7 ABC3D5E7 -266.32 9.25 0.0 0.0 0
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327361 126689685 1 NO4C20H39 AB4C20D39 -239.97 10.32 -9.23 0.29 0
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327362 126689687 1 SN2O4C22H46 AB2C4D22E46 -211.18 15.99 -8.48 -0.57 0
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327363 126689689 1 NO4C20H39 AB4C20D39 -229.55 10.66 -9.44 -0.11 1
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327364 126689692 1 SN2O5C27H57 AB2C5D27E57 -300.93 8.2 0.0 0.0 0
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327365 126689693 1 NO2C19H39 AB2C19D39 -161.66 1.83 -8.63 0.85 0
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327366 126689694 1 ON2C9H18 AB2C9D18 -39.58 5.78 -8.85 0.58 0
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327367 126689700 1 S5O6H42C103 A5B6C42D103 1605.45 5.33 -7.69 -1.83 0
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327368 126689706 1 O2N3C19H23 A2B3C19D23 -17.01 4.8 -8.32 0.3 0
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327369 126689707 1 OF4N5C31H37 AB4C5D31E37 -142.62 4.5 -8.83 -1.02 0
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327370 126689710 1 NOC12H15 ABC12D15 -2.66 3.17 -10.1 -0.87 0
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327371 126689711 1 NOC12H13 ABC12D13 22.79 2.28 -10.04 -0.88 0
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327372 126689712 1 FNO3H4C7 ABC3D4E7 -78.7 3.04 -10.02 -2.19 0
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327373 126689713 1 F4O5N7H41C42 A4B5C7D41E42 -256.39 5.12 -9.51 -1.53 0
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327374 126689714 1 FO3N5C16H20 AB3C5D16E20 -37.62 7.4 -8.72 -1.39 0
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327375 126689716 2 F2N2O2H14C15 A2B2C2D14E15 -281.27 6.81 -9.43 -1.27 0