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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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315376 126625759 2 NOS3H9C14 ABC3D9E14 87.42 1.56 -8.28 -1.73 0
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315378 126625768 1 FON6C22H31 ABC6D22E31 -47.28 4.01 -9.27 -0.45 0
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315379 126625769 1 NF3C19H30 AB3C19D30 -193.2 5.73 -10.3 -0.81 0
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315381 126625779 1 OF3N5C21H22 AB3C5D21E22 -87.75 3.61 -8.89 -1.28 0
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315382 126625781 1 N2O5C21H28 A2B5C21D28 -213.98 3.76 -8.87 -0.69 0
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315383 126625782 1 ClO2F3N5C23H29 AB2C3D5E23F29 -185.62 7.5 -9.09 -0.94 0
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315385 126625785 1 ClOF3N5C22H27 ABC3D5E22F27 -165.62 5.42 -9.49 -1.13 0
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315387 126625798 1 FOCl2N5C21H26 ABC2D5E21F26 -54.55 7.81 -9.33 -0.74 0
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315390 126625816 1 FO2N7C24H28 AB2C7D24E28 -18.37 2.38 -8.66 -0.53 0
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315391 126625834 1 OF2N6C22H26 AB2C6D22E26 -59.73 2.48 -9.41 -1.15 0
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315394 126625843 1 O2N5F6C26H35 A2B5C6D26E35 -376.67 5.2 -9.36 -1.07 0
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315395 126625846 1 OF3N5C20H24 AB3C5D20E24 -135.44 3.31 -9.41 -0.77 0
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315397 126625852 2 NOC3H5 ABC3D5 -62.49 2.15 -9.41 -0.02 0
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315399 126625873 1 FS2N4O6C46H49 AB2C4D6E46F49 -289.64 8.08 -8.87 -0.41 0
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315400 126625875 1 F2O2N5C29H39 A2B2C5D29E39 -117.83 5.1 -8.59 -0.92 0
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315401 126625889 1 NO7C16H29 AB7C16D29 -350.58 1.83 -10.12 0.05 0
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315404 126625922 1 N2C23H42 A2B23C42 -33.06 0.85 -8.53 1.31 0
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315406 126626021 3 OC4H8 AB4C8 -183.0 0.61 -10.92 0.32 0
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315409 126626053 1 N3O9C25H39 A3B9C25D39 -377.9 9.42 -8.34 0.48 0
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315410 126626054 1 O2C17H30 A2B17C30 -122.71 2.23 -9.35 0.94 0
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315411 126626057 2 SC4H6 AB4C6 10.13 1.79 -8.62 -0.2 0
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315412 126626059 1 IO4C13H23 AB4C13D23 -203.03 1.68 -9.9 -1.13 0
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315413 126626061 1 N8O39C73H122 A8B39C73D122 -1736.54 10.7 -8.88 -0.31 0
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315414 126626062 1 NO2C28H57 AB2C28D57 -220.16 2.39 -9.16 0.98 0
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315416 126626082 1 BrO2S4H5C6 AB2C4D5E6 -44.58 3.58 -9.13 -2.02 0
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315417 126626208 2 N2C8H19 A2B8C19 -36.71 2.17 -8.57 2.54 0
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315418 126626210 1 SO3F5C18H21 AB3C5D18E21 -362.59 4.59 -8.77 -0.79 0
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315420 126626218 1 ON3C8H11 AB3C8D11 -3.5 4.53 -8.83 -0.19 0
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315422 126626309 4 NC2H5 AB2C5 3.56 0.9 -8.26 2.44 0
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315424 126626357 1 N2C5H12 A2B5C12 14.46 1.76 -8.14 1.19 0
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315426 126626362 2 PO2H20C23 AB2C20D23 -36.82 0.94 -8.09 0.29 0
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315427 126626365 2 N2O2H14C15 A2B2C14D15 -43.11 3.46 -8.79 -0.75 0
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315429 126626425 1 NOC21H43 ABC21D43 -100.74 3.49 -8.42 2.35 0
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315431 126626488 1 NSC8H13 ABC8D13 42.89 1.48 -8.37 -0.12 0
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315432 126626529 1 O2N7H25C27 A2B7C25D27 83.87 3.85 -8.99 -0.65 0
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315433 126626545 1 N3C7H13 A3B7C13 50.98 1.22 -9.44 -0.08 0
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315434 126626598 1 OF3C23H29 AB3C23D29 -207.31 3.79 -8.48 -0.54 0
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315435 126626599 1 FIC10H12 ABC10D12 -35.02 1.96 -9.44 -0.77 0
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315438 126626712 1 ON2S2C16H16 AB2C2D16E16 62.41 0.74 -8.48 -0.96 0
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315439 126626719 1 N2O3C16H16 A2B3C16D16 -6.84 1.48 -8.24 -1.04 0
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315440 126626721 2 INO2H5C6 ABC2D5E6 -85.99 3.27 -9.8 -2.4 0
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315441 126626724 1 N5C13H15 A5B13C15 103.6 5.22 -7.92 -0.22 0
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315442 126626725 1 ClS7N10O22H31C37 AB7C10D22E31F37 -673.47 7.53 -9.11 -2.51 0
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315445 126626740 1 FSO3C31H35 ABC3D31E35 -108.69 5.93 -8.54 -0.09 0
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315446 126626741 1 BrOF3H16C19 ABC3D16E19 -141.46 4.27 -8.93 -0.96 0
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315447 126626748 1 ON3C11H15 AB3C11D15 10.4 3.72 -8.05 0.5 0
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315448 126626751 1 NC14H29 AB14C29 -45.76 0.85 -8.82 1.56 0
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315449 126626753 1 ClFN3C17H17 ABC3D17E17 2.23 7.33 -8.88 -0.38 0
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315450 126626762 1 F3O4H19C21 A3B4C19D21 -272.29 4.79 -9.13 -0.82 0
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315452 126626764 1 FO3H25C27 AB3C25D27 -108.4 7.48 -9.01 -0.34 0
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315453 126626775 1 O2N5C26H31 A2B5C26D31 -31.03 8.01 -8.62 -0.52 0
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315456 126626787 1 O2F7H13C22 A2B7C13D22 -350.9 4.31 -9.57 -0.82 0
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315457 126626798 1 O2F9H27C29 A2B9C27D29 -503.11 6.57 -9.52 -0.75 0
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315458 126626830 1 NO3C31H39 AB3C31D39 -79.1 7.86 -8.02 -0.39 0
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315459 126626834 1 SN2O2C16H16 AB2C2D16E16 20.33 1.53 -8.24 -1.09 0
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315461 126626850 1 IN2O2C8H13 AB2C2D8E13 -87.25 5.06 -9.84 -1.57 0
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315462 126626852 1 FN2O3C25H27 AB2C3D25E27 -89.69 3.72 -8.64 -0.17 0
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315463 126626877 1 FSO4C31H35 ABC4D31E35 -164.33 4.86 -8.6 -0.16 0
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315465 126626882 1 FON2H23C26 ABC2D23E26 28.75 4.72 -8.59 -0.41 0
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315466 126626885 1 NC152H189 AB152C189 101.14 0.65 -7.72 -0.14 0
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315467 126626892 1 N4C33H42 A4B33C42 60.86 8.58 -8.38 -0.63 0
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315468 126626893 2 ON3C8H14 AB3C8D14 -66.27 4.26 -9.38 -0.53 0
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315469 126626894 1 ON5C26H55 AB5C26D55 -108.83 5.25 -8.7 1.2 0
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315470 126626895 1 FO5C34H37 AB5C34D37 -208.7 5.5 -8.73 -0.2 0
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315471 126626896 1 ON5C12H29 AB5C12D29 -38.09 5.14 -9.06 0.94 0
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315472 126626897 1 OF3H13C16 AB3C13D16 -158.26 2.97 -9.01 -0.61 0
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315473 126626898 1 N7C15H37 A7B15C37 24.08 3.31 -8.36 1.54 0
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315476 126626916 1 BrSO2C14H19 ABC2D14E19 -75.58 3.25 -8.43 0.19 0
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315477 126626934 1 BrFH8C9 ABC8D9 -33.56 1.28 -9.56 -0.22 0
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315478 126626948 1 FN3O3H30C31 AB3C3D30E31 -67.44 11.45 -8.93 -0.24 0
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315480 126626953 1 F3O4C31H31 A3B4C31D31 -261.85 3.79 -8.86 -0.69 0
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315481 126626956 1 O2H5C8F9 A2B5C8D9 -552.73 3.61 -11.98 -1.52 0
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315482 126626959 1 PC8H13 AB8C13 20.53 1.94 -9.05 1.12 0
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315483 126626967 1 OF7C11H11 AB7C11D11 -394.49 4.9 -10.77 0.03 0
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315484 126626997 1 O2N3C31H37 A2B3C31D37 -21.99 7.72 -7.95 -0.26 0
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315485 126627021 1 F4H26C27 A4B26C27 -160.37 4.68 -9.2 -0.36 0
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315486 126627040 1 BrF3C5H8 AB3C5D8 -174.92 3.6 -11.18 -1.22 0
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315487 126627062 1 SO2C72H80 AB2C72D80 -22.4 3.42 -8.14 -0.99 0
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315488 126627096 1 NO3C8H17 AB3C8D17 -138.19 2.52 -9.29 1.84 0
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315489 126627116 2 NC12H13 AB12C13 158.66 2.76 -8.06 -0.39 0
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315490 126627122 1 O2C11H22 A2B11C22 -130.06 1.46 -9.82 0.74 0
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315491 126627140 2 ON2C15H18 AB2C15D18 13.48 3.94 -8.72 -0.41 0
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315493 126627144 1 NC18H29 AB18C29 42.02 2.69 -8.34 0.59 0
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315494 126627153 1 NC7H13 AB7C13 21.87 2.04 -8.87 2.53 0
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315496 126627188 1 N2O7C27H50 A2B7C27D50 -373.77 5.64 -9.97 0.24 0
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315497 126627203 2 FNO2C15H17 ABC2D15E17 -241.24 6.64 -9.34 -0.91 0
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315499 126627217 1 FN2O3C30H35 AB2C3D30E35 -144.64 1.29 -9.34 -0.62 0
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315500 126627218 1 N5H13C16 A5B13C16 120.68 8.61 -8.87 -1.16 0
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315501 126627253 2 NC5H11 AB5C11 -8.53 1.8 -8.86 0.88 0
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315504 126627285 1 BrNC10H18 ABC10D18 -11.12 3.52 -9.56 -0.41 0
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315506 126627288 1 BrNO2C12H14 ABC2D12E14 -55.04 4.61 -9.38 -0.3 0
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315507 126627289 1 BrN2C6H9 AB2C6D9 25.52 2.93 -8.35 0.13 0
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315509 126627292 1 FPO3N4C28H32 ABC3D4E28F32 -108.12 5.13 -9.17 -1.4 0
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315510 126627293 1 NOC10H13 ABC10D13 0.18 2.01 -9.24 -0.12 0
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315511 126627294 1 FN4O4C28H33 AB4C4D28E33 -149.35 7.85 -9.11 -0.81 0
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315513 126627296 1 FSN2O4C28H29 ABC2D4E28F29 -169.29 7.08 -8.99 -0.79 1
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315515 126627298 1 BrSN2F3O3H12C17 ABC2D3E3F12G17 -184.1 8.56 -8.87 -1.6 0
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315516 126627299 1 N3O4C38H45 A3B4C38D45 -65.05 4.02 -8.23 -0.42 0
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315518 126627302 1 FN3O4C32H34 AB3C4D32E34 -118.61 6.32 -8.58 -0.74 0
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315519 126627303 1 ClN3O4H16C19 AB3C4D16E19 -80.62 5.97 -8.98 -1.14 0