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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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34399 7891115 1 O2S2N3C15H19 A2B2C3D15E19 -29.33 2.56 -8.44 -1.02 0
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34400 7891116 1 NO4H19C21 AB4C19D21 -124.61 4.0 -9.03 -1.21 0
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34401 7891125 1 ClOS2N3H18C19 ABC2D3E18F19 49.78 5.42 -8.51 -1.17 0
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34402 7891133 1 N3O7H15C17 A3B7C15D17 -159.22 6.0 -8.43 -1.51 0
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34403 7891159 1 N4O6H16C17 A4B6C16D17 -139.01 9.75 -9.22 -1.68 0
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34404 7891161 1 S2N3O3H17C18 A2B3C3D17E18 -20.83 2.41 -8.43 -1.08 0
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34405 7891163 1 NO4H21C22 AB4C21D22 -125.93 5.9 -8.81 -1.25 0
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34406 7891191 1 OS2N3C21H23 AB2C3D21E23 43.7 4.36 -8.42 -1.01 0
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34407 7891204 1 NO4H19C21 AB4C19D21 -118.9 3.65 -9.16 -1.21 0
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34408 7891223 1 FOS2N4C19H19 ABC2D4E19F19 -0.8 6.62 -8.71 -1.28 0
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34409 7891225 1 OS2N4C20H28 AB2C4D20E28 -0.25 4.21 -8.39 -0.96 0
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34410 7891233 2 N2O3C9H9 A2B3C9D9 -130.42 5.44 -9.12 -1.55 0
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34411 7891234 1 OS2N4C21H26 AB2C4D21E26 27.71 4.81 -8.12 -0.7 0
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34412 7964547 1 O2N3C20H31 A2B3C20D31 -95.53 4.52 -8.59 -0.27 0
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34413 7964548 1 N3O4H15C17 A3B4C15D17 -24.1 5.28 -9.49 -1.46 1
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34414 7964549 1 O2N3C22H28 A2B3C22D28 -20.22 1.55 0.0 0.0 0
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34415 7964550 1 O2N3C22H27 A2B3C22D27 -43.09 2.53 -8.76 -0.2 1
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34416 7964551 1 O2N3C22H28 A2B3C22D28 -18.71 1.66 0.0 0.0 0
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34417 7966560 1 Cl2O2N3H17C20 A2B2C3D17E20 -20.16 2.77 -9.42 -1.4 0
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34418 7968631 1 SN2O4C18H20 AB2C4D18E20 -123.92 3.53 -8.85 -0.22 0
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34419 7969855 1 S2O3N5C17H21 A2B3C5D17E21 7.99 6.14 -8.41 -0.75 0
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34420 7969961 1 N2F3O3H15C20 A2B3C3D15E20 -199.22 2.61 -9.61 -1.59 0
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34421 7970003 1 FSN2O2C17H23 ABC2D2E17F23 -119.8 4.27 -9.05 -0.82 0
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34422 7971514 1 N3O6C20H25 A3B6C20D25 -241.59 8.73 -10.2 -1.63 1
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34423 7971664 1 BrNOC11H17 ABCD11E17 -10.89 6.65 0.0 0.0 0
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34424 7972459 1 FSN2O4C14H17 ABC2D4E14F17 -209.94 2.25 -9.01 -0.61 1
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34425 7972817 1 SN3O3C22H30 AB3C3D22E30 -82.05 2.72 0.0 0.0 0
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34426 7973067 1 SN2O5C16H16 AB2C5D16E16 -99.46 6.85 -9.47 -1.62 0
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34427 7975211 1 ClSN2O5C18H19 ABC2D5E18F19 -165.96 3.6 -9.46 -1.59 0
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34428 7975373 1 SN3O6C16H23 AB3C6D16E23 -253.94 6.88 -10.05 -1.36 0
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34429 7975554 1 FSO2N3C20H20 ABC2D3E20F20 -4.98 3.11 -8.22 -0.4 0
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34431 7976210 1 FSN2O5C14H19 ABC2D5E14F19 -241.24 4.66 -9.93 -1.44 0
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34432 7977315 1 BrO2N3H32C35 AB2C3D32E35 28.85 6.56 -8.5 -1.52 0
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34433 7977359 1 NO5C24H27 AB5C24D27 -176.24 8.75 -8.38 -1.06 0
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34434 7978462 1 N3O3H17C18 A3B3C17D18 -27.84 4.96 -9.69 -0.79 0
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34435 7978463 1 ClN3O5C20H26 AB3C5D20E26 -170.06 9.61 -8.6 -0.6 0
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34436 7978464 2 N2O2H8C9 A2B2C8D9 -58.13 6.5 -9.65 -0.82 0
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34437 7978466 1 N3O5C21H21 A3B5C21D21 -108.9 5.44 -9.33 -0.75 0
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34438 7978467 1 ClF2N3O4C18H20 AB2C3D4E18F20 -236.12 4.08 -9.17 -0.54 0
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34439 7978468 1 ClN3O3C19H24 AB3C3D19E24 -107.99 4.55 -8.44 -0.62 0
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34440 7978469 1 O3N4H12C17 A3B4C12D17 18.86 2.91 -9.82 -1.44 0
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34441 7978470 1 ClN3O3C19H24 AB3C3D19E24 -108.34 4.19 -8.47 -0.62 0
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34442 7978471 1 N3O3C16H19 A3B3C16D19 -65.33 5.47 -9.69 -0.76 0
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34443 7978473 1 Cl2N3O3H13C17 A2B3C3D13E17 -38.44 4.2 -9.75 -0.86 0
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34444 7978474 1 ClO3N4C18H19 AB3C4D18E19 -31.98 2.41 -9.59 -0.91 0
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34445 7978475 1 N3O3H17C18 A3B3C17D18 -34.6 5.52 -9.46 -0.77 0
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34446 7978476 1 N3O3H17C22 A3B3C17D22 8.5 6.0 -9.6 -0.87 0
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34447 7978477 1 Cl2N3O3C19H23 A2B3C3D19E23 -118.46 5.71 -9.01 -0.63 0
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34448 7978478 1 ClN3O3H14C17 AB3C3D14E17 -32.64 4.13 -9.67 -0.82 0
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34449 7978479 1 Cl2O3N4C18H18 A2B3C4D18E18 -69.18 10.57 -9.49 -1.0 0