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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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173537 75649311 1 O3N5C21H40 A3B5C21D40 -157.36 3.34 0.0 0.0 -1
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173538 75649759 1 BrFN3O5H12C22 ABC3D5E12F22 -5.53 4.45 0.0 0.0 0
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173539 75649885 1 S2O4N5H11C16 A2B4C5D11E16 -68.57 2.14 -9.49 -2.37 1
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173540 75650415 1 ClN4O5H22C24 AB4C5D22E24 -78.71 7.83 0.0 0.0 -1
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173541 75650687 1 N2O2S2C14H17 A2B2C2D14E17 -18.93 5.34 0.0 0.0 -1
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173542 75650688 1 SN3O4C21H24 AB3C4D21E24 -80.92 4.17 0.0 0.0 1
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173543 75651564 1 N3O3C26H26 A3B3C26D26 -65.3 4.35 0.0 0.0 1
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173544 75651565 1 N3O5C27H28 A3B5C27D28 -128.77 7.85 0.0 0.0 1
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173545 75651566 1 SO2N3C20H28 AB2C3D20E28 -27.02 5.8 0.0 0.0 0
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173546 75651845 1 SO3N5H21C23 AB3C5D21E23 49.35 7.73 -8.62 -1.74 -1
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173547 75651893 1 SN2O5H17C22 AB2C5D17E22 -10.7 1.56 0.0 0.0 -1
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173548 75651894 1 N2O9H25C26 A2B9C25D26 -173.88 9.87 0.0 0.0 -1
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173549 75651923 1 N2S2O6H21C23 A2B2C6D21E23 -89.91 11.27 0.0 0.0 0
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173550 75652294 1 SO2F3N3H22C26 AB2C3D3E22F26 -146.52 4.87 -8.88 -1.42 0
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173551 75652366 1 Cl2N2O3H10C16 A2B2C3D10E16 3.5 5.0 -9.2 -1.52 0
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173552 75652399 1 N3O3C15H19 A3B3C15D19 -118.76 5.28 -9.14 -0.17 -1
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173553 75652400 1 N3O6H12C14 A3B6C12D14 -145.47 6.29 0.0 0.0 -1
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173554 75652599 1 N4O5H23C25 A4B5C23D25 -59.97 4.65 0.0 0.0 0
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173555 75652600 1 N4O5H24C25 A4B5C24D25 -88.02 4.74 -8.81 -1.04 -1
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173556 75652630 1 ClNO5H19C25 ABC5D19E25 -59.83 11.73 0.0 0.0 -1
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173557 75652631 1 BrNO5C25H27 ABC5D25E27 -123.13 7.52 0.0 0.0 -1
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173558 75652632 1 N2O5H25C27 A2B5C25D27 -74.81 7.28 0.0 0.0 0
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173559 75652670 1 SN3O5C24H29 AB3C5D24E29 -175.58 2.24 -8.12 -1.04 -1
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173560 75652878 1 SO3N4H15C19 AB3C4D15E19 33.45 12.78 0.0 0.0 0
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173561 75653285 1 ClSN4O4C22H27 ABC4D4E22F27 -118.49 4.06 -9.0 -1.0 -1
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173562 75653364 1 ClSN3O4H15C25 ABC3D4E15F25 33.33 7.74 0.0 0.0 -1
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173563 75653559 1 ClSN4O5H16C21 ABC4D5E16F21 -54.02 5.03 0.0 0.0 0
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173564 75653560 1 ClSN4O5H17C21 ABC4D5E17F21 -81.3 4.85 -8.99 -1.26 1
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173565 75653687 1 ClN3O4C18H19 AB3C4D18E19 -99.12 5.89 0.0 0.0 1
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173566 75653822 1 O2N6C17H23 A2B6C17D23 29.47 8.44 0.0 0.0 0
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173567 75654338 1 ClO3N4C18H23 AB3C4D18E23 -77.44 3.31 -9.24 -0.51 0
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173568 75654339 1 N2O2F3H15C18 A2B2C3D15E18 -145.19 5.53 -9.17 -1.5 -1
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173569 75654552 1 BrFNO3H14C23 ABCD3E14F23 -29.06 6.47 0.0 0.0 0
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173570 75654701 1 N4O4C25H26 A4B4C25D26 -8.46 2.56 -8.4 -1.3 -1
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173571 75654812 1 NO8C29H34 AB8C29D34 -219.74 15.46 0.0 0.0 -1
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173572 75654862 1 SN5O5H24C25 AB5C5D24E25 -70.84 22.01 0.0 0.0 -1
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173573 75654863 1 SN5O5C26H28 AB5C5D26E28 -99.19 32.33 0.0 0.0 0
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173574 75654957 1 ON2C14H14 AB2C14D14 41.34 8.89 -8.48 -1.36 0
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173575 75655353 1 SO2N5C23H37 AB2C5D23E37 -90.97 2.42 -8.8 -0.52 1
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173576 75656069 1 N3O3C27H28 A3B3C27D28 -8.3 7.69 0.0 0.0 1
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173577 75656298 1 N2O3C21H29 A2B3C21D29 -67.13 2.93 0.0 0.0 -1
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173578 75656692 1 NO4C21H26 AB4C21D26 -122.61 13.93 0.0 0.0 0
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173579 75656902 1 FN4O4C20H23 AB4C4D20E23 -160.71 4.54 -9.21 -0.33 0
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173580 75656903 1 ClN4O4C22H27 AB4C4D22E27 -140.38 5.11 -9.29 -0.25 0
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173581 75656965 1 BrON3H18C19 ABC3D18E19 30.05 2.49 -9.12 -0.67 1
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173582 75656966 1 FSN2O2C16H20 ABC2D2E16F20 -62.25 4.47 0.0 0.0 -1
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173583 75657043 1 SN3O6C22H22 AB3C6D22E22 -128.4 1.54 0.0 0.0 0
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173584 75657369 1 ClSN3O3H16C20 ABC3D3E16F20 16.83 1.12 -9.05 -1.4 1
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173585 75657868 1 O2N4C21H27 A2B4C21D27 -23.38 6.96 0.0 0.0 1
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173586 75657870 1 SO3N4C21H33 AB3C4D21E33 -74.59 8.26 0.0 0.0 1