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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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230391 87570770 2 NC4H7 AB4C7 11.32 2.51 -8.26 0.79 0
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230392 87570771 6 OC2H3 AB2C3 -241.19 2.54 -10.34 -0.15 0
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230393 87570777 1 CSN2O2H4 ABC2D2E4 -47.82 3.27 -9.64 -1.17 0
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230394 87570779 1 SO4N5C29H43 AB4C5D29E43 -129.0 10.39 -8.66 -0.5 0
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230395 87570781 1 ClSO2N4H13C16 ABC2D4E13F16 7.85 5.77 -8.77 -0.94 0
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230396 87570787 2 O6H16C17 A6B16C17 -445.53 1.93 -8.38 -0.25 0
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230397 87570788 1 FO2H15C16 AB2C15D16 -72.16 3.54 -9.54 -0.44 0
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230398 87570793 1 FN2Cl3O4C14H14 AB2C3D4E14F14 -162.98 4.23 -9.35 -0.78 0
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230399 87570794 1 FN2Cl3O4C14H14 AB2C3D4E14F14 -163.2 0.79 -9.32 -0.75 0
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230400 87570796 1 ClSO2N4C27H37 ABC2D4E27F37 -49.33 4.67 -8.88 -0.74 0
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230401 87570798 1 NiS4O8C156H240 AB4C8D156E240 -355.86 4.78 -7.63 -3.74 0
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230402 87570800 1 ClFON7H13C15 ABCD7E13F15 31.22 5.13 -9.07 -1.32 0
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230403 87570801 1 N2O9H24C26 A2B9C24D26 -76.46 3.68 -9.27 -0.97 0
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230404 87570802 1 N2O9H24C26 A2B9C24D26 -79.48 10.06 -9.0 -0.82 0
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230405 87570806 1 O3F4N5H23C26 A3B4C5D23E26 -215.33 6.39 -8.52 -1.06 0
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230406 87570807 1 O4C11H20 A4B11C20 -191.11 2.03 -10.03 0.02 0
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230407 87570810 1 O2N5C11H13 A2B5C11D13 0.48 4.04 -9.18 -1.18 0
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230408 87570812 1 ClON6C31H43 ABC6D31E43 -12.16 4.47 -8.67 -0.8 0
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230409 87570813 1 SCl2O2N5C25H35 AB2C2D5E25F35 -49.89 5.19 -8.68 -1.23 0
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230410 87570819 1 NO5C25H31 AB5C25D31 -148.8 0.47 -9.02 -0.16 0
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230411 87570823 1 N2C23H38 A2B23C38 -47.13 2.93 -7.4 0.69 0
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230412 87570824 1 N2F4O8C21H26 A2B4C8D21E26 -502.43 7.16 -8.77 -0.45 0
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230413 87570825 1 N3C32H65 A3B32C65 -107.22 1.87 -8.52 1.36 0
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230414 87570836 1 NPO3C18H28 ABC3D18E28 -177.34 1.56 -8.8 0.55 0
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230415 87570844 1 N2O2H12C15 A2B2C12D15 3.14 4.26 -9.62 -0.6 0
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230416 87570847 1 N3O3C61H115 A3B3C61D115 -332.95 6.17 -9.51 0.57 0
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230417 87570850 1 BrOC17H21 ABC17D21 -56.76 1.51 -8.82 -0.2 0
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230418 87570853 1 FN2O8C22H31 AB2C8D22E31 -364.01 4.5 -8.82 0.07 0
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230419 87570862 1 ClFON4H16C24 ABCD4E16F24 70.17 4.16 -8.96 -1.3 0
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230420 87570864 1 FN2O9C24H31 AB2C9D24E31 -388.47 4.29 -8.9 -0.32 0
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230421 87570865 1 NO5C20H29 AB5C20D29 -180.49 1.06 -8.84 0.27 0
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230422 87570866 1 NO5C20H29 AB5C20D29 -187.6 8.28 -8.87 -0.17 0
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230423 87570867 2 FNO5C12H16 ABC5D12E16 -497.99 6.96 -9.03 -0.07 0
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230424 87570870 1 NTiC5H5 ABC5D5 73.18 2.55 -7.37 -1.28 0
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230425 87570871 1 NOC15H23 ABC15D23 -29.73 0.96 -8.8 0.3 0
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230426 87570872 1 NCl2O5C11H13 AB2C5D11E13 -161.51 3.18 -9.36 -1.5 0
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230427 87570874 1 ClSN3O3H16C18 ABC3D3E16F18 -59.02 7.27 -9.61 -1.83 0
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230428 87570875 1 PO4H23C28 AB4C23D28 -89.0 5.54 -8.72 -0.26 0
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230429 87570878 1 ClON8H19C21 ABC8D19E21 154.36 4.53 -8.91 -0.98 0
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230430 87570880 1 SN3O8C19H25 AB3C8D19E25 -214.18 6.93 -8.83 -0.62 0
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230431 87570882 1 NOC13H17 ABC13D17 11.14 2.02 -8.84 0.26 0
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230432 87570886 1 FNOC15H22 ABCD15E22 -70.4 2.04 -9.01 -0.02 0
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230433 87570887 1 OS2C4H8 AB2C4D8 -45.45 2.19 -9.18 -0.52 0
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230434 87570890 1 SO2N3C13H15 AB2C3D13E15 -47.31 5.01 -8.54 -1.42 0
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230435 87570895 1 SN4O5C19H28 AB4C5D19E28 -150.97 2.88 -8.59 -0.42 0
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230436 87570898 1 OSN3H19C22 ABC3D19E22 70.48 2.86 -8.64 -1.04 0
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230437 87570901 1 O4C11H18 A4B11C18 -178.72 6.11 -10.18 -0.62 0
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230438 87570905 1 N2O2F3C14H23 A2B2C3D14E23 -213.99 31.08 -8.23 -2.42 0
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230439 87570906 1 SF3N3O4H28C29 AB3C3D4E28F29 -186.12 7.47 -8.34 -1.5 0
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230440 87570907 2 NO2H3C4 AB2C3D4 -67.4 4.7 -10.64 -1.4 0
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230441 87570910 1 FO3N7H18C24 AB3C7D18E24 58.2 4.48 -9.68 -1.41 0
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230443 87570914 1 C2N3O3H7 A2B3C3D7 -53.43 5.71 -11.32 -1.14 0
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230444 87570916 2 ClOSF2N3H11C17 ABCD2E3F11G17 -11.87 2.98 -9.51 -2.22 0
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230445 87570917 1 NO2S2C16H17 AB2C2D16E17 -41.88 4.53 -8.93 -1.48 0
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230446 87570919 1 ClO2N4C12H15 AB2C4D12E15 -48.42 3.59 -9.36 -1.06 0
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230447 87570922 1 N2C11H24 A2B11C24 -25.43 2.53 -8.83 1.24 2
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230448 87570923 1 N2O3C10H22 A2B3C10D22 -94.02 2.94 -8.18 0.91 0
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230449 87570924 1 NSO2C22H23 ABC2D22E23 14.99 7.6 -7.48 -1.21 0
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230450 87570926 1 FCl2N2S2O4H15C20 AB2C2D2E4F15G20 -104.34 7.93 -9.11 -1.3 0
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230451 87570929 1 ClO2N6C32H41 AB2C6D32E41 -52.47 6.26 -8.89 -0.73 0
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230452 87570930 1 ClO2N6C32H41 AB2C6D32E41 -53.06 6.67 -8.77 -0.7 0
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230453 87570931 1 NO6C17H25 AB6C17D25 -211.66 4.55 -8.82 -0.12 0
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230454 87570933 1 O8C19H28 A8B19C28 -318.72 3.34 -8.94 -0.82 -1
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230455 87570937 1 N4O6C10H11 A4B6C10D11 -43.29 5.93 0.0 0.0 0
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230456 87570946 1 NO2C36H71 AB2C36D71 -237.69 3.67 -9.56 0.81 0
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230457 87570947 1 ClO2C3H7 AB2C3D7 -120.42 4.12 -10.8 -0.4 0
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230458 87570950 1 O9C23H38 A9B23C38 -294.65 1.01 -9.94 -0.83 0
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230459 87570956 4 O3C10H12 A3B10C12 -254.21 7.51 -8.52 -0.36 0
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230461 87570966 1 ClO4C8H11 AB4C8D11 -174.67 4.65 -10.91 -1.54 0
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230462 87570967 1 NiS4H32C36 AB4C32D36 301.73 0.97 -7.6 -3.7 0
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230463 87570968 2 SH8C9 AB8C9 86.15 2.3 -8.4 -0.36 0
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230464 87570970 1 OSN5C29H41 ABC5D29E41 -13.34 5.71 -8.64 -0.46 0
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230465 87570971 1 OSN5C29H41 ABC5D29E41 -16.26 5.13 -8.66 -0.52 0
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230466 87570974 1 O2N3C16H17 A2B3C16D17 5.0 3.21 -8.44 -0.53 0
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230467 87570978 1 ClC4O4H7 AB4C4D7 -215.63 4.29 -11.54 -0.6 0