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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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40553 8144317 1 N2O3C23H24 A2B3C23D24 -71.84 5.4 -8.55 -1.22 0
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40554 8144320 1 SO2N4C20H24 AB2C4D20E24 -43.29 3.92 -8.71 -0.95 0
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40555 8144324 1 N2O3C23H30 A2B3C23D30 -92.3 6.11 -8.53 0.07 0
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40556 8144325 1 ClON4C19H19 ABC4D19E19 42.79 13.01 -8.12 -0.78 1
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40557 8144326 1 N3O3C11H20 A3B3C11D20 -112.18 2.67 0.0 0.0 0
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40558 8144327 1 N3O3C11H19 A3B3C11D19 -132.48 2.75 -8.98 0.02 0
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40559 8144329 1 N3O3C11H19 A3B3C11D19 -134.61 2.52 -9.07 0.04 0
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40560 8144331 1 BrOSN4C14H17 ABCD4E14F17 40.69 4.19 -8.41 -0.94 1
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40561 8144332 3 NOC6H8 ABC6D8 -87.37 3.82 0.0 0.0 0
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40562 8144333 1 N3O3C18H23 A3B3C18D23 -110.32 3.76 -8.99 0.02 1
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40563 8144335 3 NOC6H8 ABC6D8 -86.53 4.47 0.0 0.0 1
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40564 8144337 1 ClO2N4C16H22 AB2C4D16E22 -59.43 4.9 0.0 0.0 0
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40565 8144340 1 SN4O4C19H20 AB4C4D19E20 -6.87 4.82 -8.59 -1.5 1
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40566 8144341 1 OS2N4C15H21 AB2C4D15E21 65.14 12.96 0.0 0.0 1
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40567 8144345 1 OS2N4C15H21 AB2C4D15E21 52.3 7.6 0.0 0.0 0
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40568 8144346 1 OS2N4C15H20 AB2C4D15E20 31.43 5.57 -8.27 -0.98 0
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40569 8144348 1 OSN4C21H24 ABC4D21E24 47.96 4.48 -8.25 -0.56 1
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40570 8144349 1 FOSN4C19H20 ABCD4E19F20 37.46 5.34 0.0 0.0 1
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40571 8144351 1 OSF2N4C19H19 ABC2D4E19F19 -5.85 5.0 0.0 0.0 0
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40572 8144352 1 OSF2N4H18C19 ABC2D4E18F19 -25.16 3.87 -8.47 -0.85 0
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40573 8144359 1 F3N3O4H16C18 A3B3C4D16E18 -206.45 3.0 -9.06 -1.66 0
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40574 8144361 1 O2S2N4C19H24 A2B2C4D19E24 -46.25 2.56 -8.6 -1.23 0
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40575 8144363 1 O2S2N4C19H20 A2B2C4D19E20 41.55 5.13 -8.41 -0.88 1
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40576 8144364 1 ClSO2N4C18H24 ABC2D4E18F24 -9.09 1.99 0.0 0.0 0
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40577 8144365 1 ClSO2N4C18H23 ABC2D4E18F23 -26.36 2.31 -8.43 -0.81 1
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40578 8144366 1 SO2N4C22H29 AB2C4D22E29 -44.38 7.61 0.0 0.0 0
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40579 8144367 1 SO2N4C22H28 AB2C4D22E28 -63.26 4.92 -8.54 -0.76 0
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40580 8144370 1 ClSO2N4C18H23 ABC2D4E18F23 -19.56 3.82 -8.09 -0.82 1
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40581 8144371 1 SN4O4C19H29 AB4C4D19E29 -164.49 13.17 0.0 0.0 1
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40582 8144373 1 SN3O4C15H20 AB3C4D15E20 -58.04 7.91 0.0 0.0 0
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40583 8144376 1 SN4O4C19H28 AB4C4D19E28 -179.53 5.03 -9.13 -1.44 1
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40584 8144377 1 O2S2N4C14H19 A2B2C4D14E19 33.07 7.79 0.0 0.0 1
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40585 8144379 1 SO2N4C18H27 AB2C4D18E27 -6.48 4.97 0.0 0.0 0
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40586 8144380 1 SO2N4C18H26 AB2C4D18E26 -21.34 5.99 -8.2 -0.49 1
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40587 8144381 1 SO2N3C19H22 AB2C3D19E22 8.98 4.84 0.0 0.0 0
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40588 8144382 1 SO2N3C19H21 AB2C3D19E21 -4.94 5.03 -8.18 -0.57 0
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40589 8144383 1 N2O4C23H28 A2B4C23D28 -112.23 4.37 -9.14 -0.55 0
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40590 8144385 1 OS2N4C14H18 AB2C4D14E18 40.46 4.73 -8.38 -0.99 0
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40591 8144387 2 OSN2C7H9 ABC2D7E9 9.38 5.97 -8.25 -0.97 0
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40592 8144389 1 OSN5C22H27 ABC5D22E27 51.18 3.38 -8.38 -0.94 0
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40593 8144390 1 NO2C12H13 AB2C12D13 -1.23 3.38 -8.93 -0.32 1
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40594 8144391 1 OSN4C11H15 ABC4D11E15 55.65 4.92 0.0 0.0 0
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40595 8144393 1 NO2C12H13 AB2C12D13 -1.17 3.67 -8.98 -0.27 1
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40596 8144396 1 O2N4C17H25 A2B4C17D25 -55.25 7.75 0.0 0.0 0
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40597 8144397 1 O2N4C17H24 A2B4C17D24 -68.08 7.56 -9.2 -0.59 1
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40598 8144398 1 OSN5C12H18 ABC5D12E18 48.49 3.61 0.0 0.0 0
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40599 8144399 1 OSN5C12H17 ABC5D12E17 32.27 3.24 -8.47 -1.04 1
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40600 8144400 1 SO2N5C20H20 AB2C5D20E20 66.09 9.36 0.0 0.0 0
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40601 8144401 1 SO2N5H19C20 AB2C5D19E20 40.91 0.71 -8.63 -1.23 0
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40602 8144402 1 ClN7C21H22 AB7C21D22 117.34 1.75 -8.73 -0.6 0