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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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317457 126637984 1 O4N5C23H23 A4B5C23D23 -72.19 6.31 -8.94 -0.7 0
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317458 126637995 1 SO3N5C23H23 AB3C5D23E23 -32.61 3.74 -8.45 -0.75 0
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317459 126638010 1 ClO4N6H21C24 AB4C6D21E24 -43.15 2.57 -8.79 -1.73 0
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317460 126638125 1 ON6C26H30 AB6C26D30 50.8 1.75 -8.43 -0.35 0
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317461 126638129 1 N4O4C23H30 A4B4C23D30 -162.41 3.98 -8.8 -0.86 0
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317462 126638140 1 O2F3N3H14C15 A2B3C3D14E15 -196.86 4.97 -8.92 -1.05 0
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317464 126638188 1 NSO2F6C11H19 ABC2D6E11F19 -406.66 5.94 -10.18 -0.96 0
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317466 126638244 1 NO3C19H23 AB3C19D23 -98.8 3.52 -8.93 -0.74 0
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317467 126638255 1 O3N4H16C20 A3B4C16D20 -18.8 4.91 -9.06 -1.13 0
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317469 126638271 1 IN4O8C24H33 AB4C8D24E33 -318.96 3.3 -9.11 -1.35 0
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317470 126638310 1 N6O17C44H74 A6B17C44D74 -880.03 11.94 -9.52 -0.34 0
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317472 126638405 1 N2O3H10C12 A2B3C10D12 -68.15 2.93 -9.15 -1.22 0
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317476 126638443 1 N3O4C19H23 A3B4C19D23 -118.04 5.14 -8.74 -0.78 0
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317477 126638444 1 N3O3H19C20 A3B3C19D20 -57.26 4.42 -8.82 -0.87 0
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317478 126638446 1 N3C73H73 A3B73C73 136.83 4.01 -8.63 -0.44 0
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317480 126638448 1 N3H37C53 A3B37C53 253.39 1.46 -8.92 -0.56 0
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317481 126638516 1 Cl2O2N4H22C25 A2B2C4D22E25 4.29 4.93 -9.23 -1.04 0
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317482 126638556 2 ClO2N3C13H14 AB2C3D13E14 -76.98 10.04 -8.66 -0.94 0
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317483 126638608 1 O4N5C21H21 A4B5C21D21 -69.41 7.33 -8.65 -0.96 0
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317484 126638617 1 O2N5C21H21 A2B5C21D21 5.8 4.94 -8.78 -0.63 0
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317486 126638808 1 FN6C37H73 AB6C37D73 -103.23 2.18 -8.13 2.28 0
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317488 126638874 1 F5O5C10H13 A5B5C10D13 -479.18 4.15 -10.65 0.13 0
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317489 126638884 1 ClO3N4C14H19 AB3C4D14E19 -106.47 5.77 -9.34 -1.02 0
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317492 126639066 1 FN2O5C32H37 AB2C5D32E37 -201.16 4.98 -8.11 -0.23 0
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317493 126639074 1 NO4C16H21 AB4C16D21 -153.37 0.82 -9.66 -0.17 0
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317494 126639127 1 O2N3C7H11 A2B3C7D11 -35.45 3.07 -9.32 -0.36 0
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317495 126639334 1 ON3C9H11 AB3C9D11 -0.22 3.12 -9.01 -0.55 0
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317496 126639393 1 O2N6C17H20 A2B6C17D20 -3.28 6.82 -8.78 -0.5 0
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317497 126639396 1 NC10H17 AB10C17 3.31 1.71 -8.21 0.96 0
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317500 126639510 1 ClO4N5C10H12 AB4C5D10E12 -111.51 13.14 -9.09 -0.67 0
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317504 126639637 1 NC13H23 AB13C23 -7.06 1.53 -8.81 1.21 0
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317506 126639966 1 ClNSF3O4H7C9 ABCD3E4F7G9 -248.66 5.71 -9.36 -1.47 1
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317507 126640059 1 ClSN2O3C7H8 ABC2D3E7F8 -52.16 5.88 0.0 0.0 0
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317510 126640100 1 NC24H47 AB24C47 -91.41 1.32 -8.7 3.08 0
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317511 126640105 1 N2F4C19H22 A2B4C19D22 -185.28 2.63 -9.82 -0.96 0
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317512 126640159 1 N4O4C27H38 A4B4C27D38 -122.32 2.63 -8.92 -0.05 0
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317514 126640222 1 O3N4C28H38 A3B4C28D38 -94.21 6.06 -8.67 -0.11 0
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317516 126640316 1 N3O4C35H47 A3B4C35D47 -165.11 4.85 -8.86 -0.42 0
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317517 126640358 1 NSO6C22H27 ABC6D22E27 -180.62 5.83 -9.38 -0.86 0
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317518 126640381 1 BrSO4C20H23 ABC4D20E23 -155.37 8.33 -8.7 -0.6 0
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317519 126640634 1 NO4C25H27 AB4C25D27 -119.96 3.44 -8.64 -0.76 0
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317522 126642582 1 FCl2O2N4C26H27 AB2C2D4E26F27 -90.88 9.97 -9.84 -1.24 0
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317526 126642957 1 O4N6H26C27 A4B6C26D27 -24.53 12.27 -8.5 -0.69 0
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317531 126643000 1 Cl2O3N6C28H30 A2B3C6D28E30 -28.33 4.44 -9.11 -0.98 0
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317532 126643049 1 BrFO3N8C29H30 ABC3D8E29F30 -51.65 9.12 -9.04 -0.9 0
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317533 126643056 1 F2O3N6C27H30 A2B3C6D27E30 -140.03 5.39 -9.24 -1.04 0
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317534 126643151 1 IO2N5C21H26 AB2C5D21E26 4.7 4.9 -8.79 -1.15 0
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317536 126643174 1 BrO2N3C13H16 AB2C3D13E16 -43.17 1.27 -9.31 -0.62 0
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317538 126643182 2 NO3C9H10 AB3C9D10 -241.97 3.59 -10.01 -1.63 0
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317539 126643185 1 O3N5H15C18 A3B5C15D18 4.81 5.3 -9.46 -1.32 0
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317541 126643196 1 FOCl2N2C11H13 ABC2D2E11F13 -118.09 7.26 -9.4 -0.54 0
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317542 126643197 1 ClFON2C11H12 ABCD2E11F12 -83.67 4.45 -9.1 -0.26 0
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317545 126643221 1 BrO4N7H28C29 AB4C7D28E29 -41.67 5.9 -9.01 -1.06 0
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317546 126643235 1 BrFON4C13H18 ABCD4E13F18 -61.95 8.06 -9.12 -0.35 0
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317548 126643239 1 ClO3N6H29C30 AB3C6D29E30 2.15 9.08 -8.9 -0.76 0
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317549 126643247 1 BrF2O5N7H26C29 AB2C5D7E26F29 -182.28 3.55 -9.34 -1.24 0
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317553 126643319 1 F3N3O3C13H18 A3B3C3D13E18 -278.45 7.91 -9.41 -0.16 0
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317555 126643399 1 ClON2F3H14C17 ABC2D3E14F17 -153.92 3.65 -9.32 -0.58 0
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317557 126643414 1 ClFN3O5C17H21 ABC3D5E17F21 -270.07 6.57 -9.65 -1.16 0
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317559 126643438 1 N2F3O4C17H23 A2B3C4D17E23 -321.33 3.13 -9.3 0.0 0
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317561 126643448 1 F2N3O3H21C24 A2B3C3D21E24 -146.18 3.92 -8.59 -0.35 0
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317562 126643449 1 BrO2N4C19H21 AB2C4D19E21 -25.52 2.91 -8.78 -0.72 0
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317563 126643450 1 ClF2O4N5C19H20 AB2C4D5E19F20 -163.42 6.05 -9.31 -0.77 0
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317565 126643473 1 NO4C18H23 AB4C18D23 -169.35 3.8 -8.98 -0.03 0
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317566 126643482 1 FNO7C14H16 ABC7D14E16 -255.25 6.37 -9.23 -0.58 0
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317567 126643490 1 N3O3H31C32 A3B3C31D32 -11.29 4.1 -8.71 -1.26 0
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317568 126643492 1 NF2O4H11C12 AB2C4D11E12 -237.32 6.32 -9.55 -0.73 0
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317570 126643495 1 F2N3O3H27C30 A2B3C3D27E30 -98.28 2.66 -8.31 -1.41 0
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317571 126643499 1 BrFN3O3C16H21 ABC3D3E16F21 -194.14 3.68 -9.3 -0.53 0
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317574 126643615 2 NO2C4H7 AB2C4D7 -169.1 8.97 -9.88 0.06 0
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317576 126643648 1 N2O8C29H42 A2B8C29D42 -281.54 6.48 -8.93 -0.42 0
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317579 126643777 1 ClSF3O3N6H20C28 ABC3D3E6F20G28 -138.54 3.39 -8.77 -1.27 0
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317580 126643779 1 SF3O3N6H29C31 AB3C3D6E29F31 -173.07 2.94 -8.84 -1.17 0
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317581 126643950 1 N2O6C13H16 A2B6C13D16 -206.43 3.32 -9.92 -0.45 0
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317582 126643989 1 BrNH20C27 ABC20D27 96.28 2.36 -8.05 -0.53 0