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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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166392 74682789 1 ClSF3O3N4C26H26 ABC3D3E4F26G26 -220.45 3.04 -8.53 -1.51 1
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166393 74682790 1 FON3C18H23 ABC3D18E23 -6.92 3.16 0.0 0.0 0
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166394 74682791 1 N2O3C25H28 A2B3C25D28 -48.13 14.35 -8.6 -1.11 -1
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166395 74683117 1 F2S3O4N6H13C16 A2B3C4D6E13F16 -66.84 1.52 0.0 0.0 1
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166396 74683653 1 ClO3N4H18C20 AB3C4D18E20 -15.68 4.67 0.0 0.0 0
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166397 74683681 1 FN5C18H20 AB5C18D20 69.8 1.98 -8.89 -0.2 1
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166398 74683725 1 SO4N5C22H24 AB4C5D22E24 -50.45 6.35 0.0 0.0 0
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166399 74683726 1 SO4N5C22H23 AB4C5D22E23 -51.58 4.3 -8.7 -1.88 0
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166400 74683727 1 SN3O4C22H29 AB3C4D22E29 -163.28 4.25 -8.84 -0.39 0
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166401 74683728 1 SN3O4C20H27 AB3C4D20E27 -122.27 5.51 -9.05 -1.94 0
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166402 74683812 1 F3O3N4C23H25 A3B3C4D23E25 -204.91 5.7 -8.48 -0.14 0
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166403 74683813 1 O2F3N4C23H25 A2B3C4D23E25 -174.63 2.94 -8.44 -0.08 1
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166404 74684305 1 N2O2C23H23 A2B2C23D23 15.04 2.69 0.0 0.0 1
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166405 74684306 1 ClON2C17H18 ABC2D17E18 1.47 3.56 0.0 0.0 0
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166406 74685037 1 F3N4O4H17C21 A3B4C4D17E21 -256.19 3.15 -9.7 -0.53 0
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166407 74685154 1 SN2O6C27H28 AB2C6D27E28 -162.64 4.05 -8.96 -1.44 0
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166408 74685309 1 N3O5C25H25 A3B5C25D25 -132.69 6.25 -8.89 -1.09 1
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166409 74685624 1 NOC13H20 ABC13D20 -7.11 2.04 0.0 0.0 1
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166410 74685625 1 NO2C13H20 AB2C13D20 -47.88 4.34 0.0 0.0 1
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166411 74685648 1 FNC10H13 ABC10D13 -1.77 2.04 0.0 0.0 0
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166412 74685724 1 SO5N6C23H36 AB5C6D23E36 -188.97 15.57 -8.09 -1.09 0
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166413 74685742 1 ClSN3O4H14C15 ABC3D4E14F15 -65.4 12.34 -8.86 -1.6 2
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166414 74685914 1 PSN6C21H25 ABC6D21E25 51.79 8.67 -6.57 -0.16 1
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166415 74685915 1 PSN6C21H24 ABC6D21E24 35.06 6.02 0.0 0.0 1
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166416 74685968 1 NOCl2H18C20 ABC2D18E20 46.96 9.13 0.0 0.0 1
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166417 74685969 1 N3O3C20H38 A3B3C20D38 -158.84 4.45 0.0 0.0 0
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166418 74686848 1 FON2C19H19 ABC2D19E19 -33.36 5.67 -9.59 -1.08 1
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166419 74687259 1 NOC6H14 ABC6D14 -32.15 3.62 0.0 0.0 1
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166420 74687382 1 N3O4H16C20 A3B4C16D20 -16.6 6.18 0.0 0.0 1
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166421 74687383 1 O3N4H17C20 A3B4C17D20 23.75 5.96 0.0 0.0 0
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166422 74687803 1 N2O3C17H26 A2B3C17D26 -146.86 8.7 -8.43 -0.05 0
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166423 74688367 1 O3N5C9H15 A3B5C9D15 -106.96 2.76 -9.98 -0.28 0
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166424 74688550 1 FN2O4H15C16 AB2C4D15E16 -154.39 2.23 -9.44 -1.5 1
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166425 74688586 1 FO3N5C21H23 AB3C5D21E23 -79.41 8.05 0.0 0.0 1
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166426 74688709 1 SO2N6H19C23 AB2C6D19E23 211.79 5.08 0.0 0.0 0
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166427 74688710 1 SO2N6H18C23 AB2C6D18E23 187.02 5.42 -9.64 -2.07 2
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166428 74688913 1 ClO3N4C14H21 AB3C4D14E21 -18.02 13.85 -5.68 -1.25 1
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166429 74688914 1 ClOF4N5H15C19 ABC4D5E15F19 -109.6 9.2 0.0 0.0 1
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166430 74688915 1 ClF3N3O3H12C15 AB3C3D3E12F15 -193.48 4.67 0.0 0.0 -1
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166431 74688916 1 ISN2O4H12C16 ABC2D4E12F16 -53.71 5.49 0.0 0.0 1
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166432 74688917 1 BrClF3N3O3H17C20 ABC3D3E3F17G20 -193.2 4.75 0.0 0.0 0
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166433 74688918 1 N3O4C20H29 A3B4C20D29 -144.64 10.19 -9.03 -1.06 -1
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166434 74688919 1 N2O6H17C20 A2B6C17D20 -53.9 9.3 0.0 0.0 0
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166435 74688920 1 NF2O3H21C24 AB2C3D21E24 -153.67 3.85 -9.62 -0.98 0
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166436 74688921 1 N2O6C17H22 A2B6C17D22 -225.15 3.88 -8.6 -1.05 0
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166437 74688922 2 NO3C9H12 AB3C9D12 -230.03 4.55 -8.64 -1.09 0
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166438 74688923 1 ClNO6C17H22 ABC6D17E22 -223.75 5.67 -8.81 -1.27 1
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166439 74688924 1 ClON4H22C23 ABC4D22E23 82.98 5.24 0.0 0.0 1
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166440 74688925 1 OSN3H8C10 ABC3D8E10 82.95 3.01 0.0 0.0 1
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166441 74688926 1 OSN3C12H14 ABC3D12E14 12.61 2.41 0.0 0.0 1
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166442 74688927 1 SN3O3C12H14 AB3C3D12E14 -20.2 8.61 0.0 0.0 1
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166443 74688928 1 SO2N4C15H19 AB2C4D15E19 -21.53 6.24 0.0 0.0 1
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166444 74688929 1 SO2N4C15H19 AB2C4D15E19 -14.26 6.04 0.0 0.0 1
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166445 74688930 1 SO2N4C21H23 AB2C4D21E23 -9.17 6.59 0.0 0.0 1
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166446 74689111 1 SO2N4C18H19 AB2C4D18E19 -5.82 5.15 0.0 0.0 1
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166447 74689116 1 SO2N4C14H19 AB2C4D14E19 -31.11 4.25 0.0 0.0 0
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166448 74689377 3 NO2C5H5 AB2C5D5 -127.28 9.78 -9.88 -1.81 0
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166449 74689422 1 SN4O7C21H34 AB4C7D21E34 -317.51 6.19 -9.28 -0.22 3
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166450 74689462 3 ON2C7H9 AB2C7D9 -1.39 3.08 0.0 0.0 0
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166451 74689639 1 SN3O4C27H27 AB3C4D27E27 -74.24 4.8 -8.6 -0.74 -1
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166452 74689779 1 O2N3C12H12 A2B3C12D12 14.98 4.16 0.0 0.0 0
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166453 74689948 1 NO6C24H29 AB6C24D29 -228.61 3.32 -9.2 -1.04 0
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166454 74690194 1 O3N5C21H25 A3B5C21D25 -51.64 4.19 -8.44 -0.17 0
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166455 74690498 1 N3O5H15C18 A3B5C15D18 -52.49 7.55 -8.96 -1.8 -1
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166456 74691109 1 BrN3O6H11C14 AB3C6D11E14 -8.41 30.56 0.0 0.0 1
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166457 74691178 1 O2N3C18H18 A2B3C18D18 -4.16 1.9 0.0 0.0 0
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166458 74691219 1 BrN3O5H12C14 AB3C5D12E14 -63.95 7.86 -9.34 -2.0 -1
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166459 74691579 1 Cl2N2O3H13C19 A2B2C3D13E19 31.78 24.24 0.0 0.0 1
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166460 74691759 1 Cl2O3N5H16C17 A2B3C5D16E17 -20.83 1.21 0.0 0.0 1
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166461 74692088 1 FO2N3H13C16 AB2C3D13E16 -24.37 6.54 0.0 0.0 2
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166462 74692790 1 ON2C16H28 AB2C16D28 -21.43 2.51 -8.98 0.6 -1
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166463 74693145 1 O4N5H18C21 A4B5C18D21 103.45 46.88 0.0 0.0 0
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166464 74693407 2 NO2C5H9 AB2C5D9 -165.38 23.6 -8.57 -0.89 0
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166465 74693743 2 ON2H10C11 AB2C10D11 63.91 2.35 -9.07 -0.88 0
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166466 74693744 1 O2N4C23H28 A2B4C23D28 -54.44 9.0 -8.78 -0.74 0
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166467 74693855 1 NO4C20H27 AB4C20D27 -150.62 1.5 -9.59 -0.66 -1
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166468 74694710 1 SO2N3C22H26 AB2C3D22E26 -28.0 7.62 0.0 0.0 1
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166469 74694784 1 N3O4C23H26 A3B4C23D26 -57.98 5.11 0.0 0.0 -2
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166470 74694865 1 BrN3O5H8C14 AB3C5D8E14 63.66 12.93 -9.34 -4.47 -1
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166471 74694866 1 NO3C14H14 AB3C14D14 -36.73 19.1 0.0 0.0 0
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166472 74694867 1 N2O3H20C23 A2B3C20D23 -34.33 13.43 -8.9 -1.25 1
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166473 74694906 1 SN2O3C16H25 AB2C3D16E25 -82.22 4.34 0.0 0.0 0
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166474 74695155 1 NSC3O3H9 ABC3D3E9 -141.65 7.57 -10.59 0.36 1
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166475 74695448 1 O3N4H21C22 A3B4C21D22 1.39 6.55 0.0 0.0 1
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166476 74695669 1 FN2O5C22H24 AB2C5D22E24 -161.96 6.8 0.0 0.0 0
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166477 74696572 1 SO2N5C7H7 AB2C5D7E7 18.1 5.35 -9.9 -2.44 0
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166478 74697091 1 N2S2O3H14C18 A2B2C3D14E18 -14.68 2.18 -9.04 -1.51 -1
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166479 74697611 1 NO4H14C18 AB4C14D18 -64.64 4.22 0.0 0.0 -1
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166480 74697682 1 O5C20H33 A5B20C33 -229.93 2.66 0.0 0.0 -1
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166481 74698333 1 NSO5C21H26 ABC5D21E26 -196.1 6.06 0.0 0.0 -1
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166482 74698483 1 S2N4H13C15 A2B4C13D15 153.53 7.35 0.0 0.0 -1
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166483 74698484 1 SN5H12C15 AB5C12D15 171.24 5.01 0.0 0.0 -1
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166484 74698485 1 OSN4H11C14 ABC4D11E14 130.39 6.09 0.0 0.0 -1
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166485 74698486 1 S2N4H11C14 A2B4C11D14 165.78 6.33 0.0 0.0 -1
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166486 74698487 1 FSO3N4H16C18 ABC3D4E16F18 6.28 9.36 0.0 0.0 -1
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166487 74698488 1 FSO3N4H16C18 ABC3D4E16F18 8.42 9.37 0.0 0.0 -1
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166488 74698489 1 FSN4H12C16 ABC4D12E16 112.9 6.23 0.0 0.0 -1
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166489 74698490 1 ClSN4H12C16 ABC4D12E16 154.15 7.29 0.0 0.0 -1
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166490 74699177 1 O2N3H20C23 A2B3C20D23 34.76 4.21 0.0 0.0 1
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166491 74699419 1 SO3N4C28H37 AB3C4D28E37 -83.58 4.08 0.0 0.0 0