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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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190419 78001900 1 ClN3O6H22C23 AB3C6D22E23 -192.35 6.5 -9.77 -1.07 0
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190420 78002687 1 ClN2O3C15H15 AB2C3D15E15 -68.31 9.31 -9.36 -2.43 0
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190421 78002956 1 Br2N2S2O5C24H24 A2B2C2D5E24F24 -147.2 2.95 -8.87 -1.11 0
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190422 78003009 1 ClO2C25H29 AB2C25D29 -69.48 3.95 -8.94 -0.02 0
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190423 78003010 2 BrNSO3H7C11 ABCD3E7F11 17.17 8.57 -9.22 -1.68 0
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190424 78003011 2 P2C5O9H12 A2B5C9D12 -1063.68 7.27 -10.23 -0.24 0
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190425 78003091 1 NOF2C13H17 ABC2D13E17 -148.43 3.99 -9.12 0.11 0
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190426 78003092 1 OF2N2C14H16 AB2C2D14E16 -117.49 1.26 -8.92 0.23 0
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190427 78003093 1 BrNOSF2C14H16 ABCDE2F14G16 -117.35 3.9 -8.5 -0.87 0
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190428 78003094 1 F2O2N3H17C18 A2B2C3D17E18 -119.11 1.55 -8.81 -0.28 0
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190429 78003272 1 O3N4C45H62 A3B4C45D62 -21.86 7.49 -6.8 -1.13 0
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190430 78003308 1 OF3N3H18C19 AB3C3D18E19 -109.82 2.62 -8.75 0.02 0
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190431 78004303 1 SN5C10H21 AB5C10D21 14.47 6.3 -8.5 0.23 0
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190432 78004374 1 SO2C12H16 AB2C12D16 -78.25 5.99 -9.09 0.51 0
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190433 78004375 1 NOSC14H19 ABCD14E19 -13.21 4.11 -8.37 0.33 0
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190434 78004376 1 NSO2C14H19 ABC2D14E19 -71.52 5.19 -9.3 0.2 0
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190435 78004621 1 F2N3O3C34H41 A2B3C3D34E41 -174.55 7.61 -9.38 -0.67 0
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190436 78004934 1 OF3N8C28H33 AB3C8D28E33 -108.06 6.31 -8.99 -0.55 0
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190437 78005472 1 N5O6C37H49 A5B6C37D49 -203.73 5.23 -8.96 -1.32 0
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190438 78005473 1 SN6O7C46H54 AB6C7D46E54 -190.33 6.63 -8.96 -1.3 0
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190439 78005474 1 O3N4C11H16 A3B4C11D16 -81.51 5.67 -8.5 0.11 0
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190440 78006376 1 N3O4C31H33 A3B4C31D33 -121.75 8.11 -8.25 -0.75 0
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190441 78006590 1 IN5C20H20 AB5C20D20 122.05 3.83 -8.77 -0.86 0
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190442 78007235 1 NO8C15H27 AB8C15D27 -374.44 7.89 -10.11 0.39 0
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190443 78007452 1 ON5C20H27 AB5C20D27 45.82 2.86 -7.58 -0.32 0
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190444 78007453 1 N5C20H27 A5B20C27 77.99 1.33 -7.58 -0.32 0
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190445 78007533 1 OCl2N5C29H29 AB2C5D29E29 72.78 4.29 -9.14 -0.83 0
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190446 78007709 1 NO2F3H14C19 AB2C3D14E19 -175.45 5.6 -9.46 -1.28 0
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190447 78007710 1 FN4O4C30H37 AB4C4D30E37 -154.3 2.85 -8.91 -0.75 0
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190448 78007711 1 N2O5C14H26 A2B5C14D26 -284.34 3.61 -9.63 0.93 0
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190449 78007834 1 SO2N7C19H19 AB2C7D19E19 112.5 6.09 -9.12 -1.47 0
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190450 78007835 1 N2O3C17H24 A2B3C17D24 -127.4 3.51 -10.18 -0.34 0
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190451 78007884 1 N3O4C21H31 A3B4C21D31 -170.91 3.37 -9.17 0.24 0
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190452 78008053 1 O9C36H58 A9B36C58 -443.99 5.7 -9.0 0.77 0
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190453 78008054 1 O5C31H50 A5B31C50 -270.24 4.35 -8.95 0.84 0
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190454 78008055 1 INSO2H14C15 ABCD2E14F15 -9.8 3.61 -8.82 -1.25 0
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190455 78008056 1 O4C19H20 A4B19C20 -139.13 4.6 -8.88 0.11 0
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190456 78008291 1 N3O3H31C33 A3B3C31D33 -38.61 2.13 -8.43 -0.88 0
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190457 78008292 1 ClN2O3H31C34 AB2C3D31E34 -58.24 2.01 -8.46 -0.9 0
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190458 78008293 1 N2O4H34C35 A2B4C34D35 -89.58 3.09 -8.31 -0.84 0
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190459 78008294 1 ClON2H31C33 ABC2D31E33 24.59 6.45 -8.39 -0.3 0
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190460 78008295 1 ON2F4H28C33 AB2C4D28E33 -160.12 9.03 -8.42 -0.81 0
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190461 78008500 1 NO4H21C22 AB4C21D22 -114.78 2.01 -9.02 -0.31 0
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190462 78008532 1 O15C34H46 A15B34C46 -623.44 2.94 -9.21 -0.12 0
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190463 78008880 1 S2N3O6C28H35 A2B3C6D28E35 -213.22 4.77 -9.06 -0.79 0
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190464 78008881 1 S2N3O6C28H29 A2B3C6D28E29 -166.42 5.25 -9.05 -0.83 0
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190465 78008882 1 S2N3O8C25H29 A2B3C8D25E29 -279.81 6.75 -8.98 -0.72 0
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190466 78008929 1 NSO2C29H39 ABC2D29E39 -59.48 1.74 -8.62 0.13 0
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190467 78008979 1 Br2N2H14C17 A2B2C14D17 73.47 5.5 -8.17 -0.42 0
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190468 78009019 1 SN2O5C20H24 AB2C5D20E24 -179.17 7.76 -8.82 -0.55 1