List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
332431 127250717 1 O2F3N3C22H22 A2B3C3D22E22 -133.37 1.73 -8.75 -0.54 0
332432 127250718 1 F2O2N3C22H23 A2B2C3D22E23 -88.83 2.44 -8.79 -0.36 0
332433 127250719 1 F2O2N3C22H23 A2B2C3D22E23 -86.51 3.02 -8.76 -0.24 0
332434 127250720 1 ClO2N3C22H24 AB2C3D22E24 -3.47 2.48 -8.58 0.13 0
332435 127250721 1 O2F3N3C19H24 A2B3C3D19E24 -191.07 4.01 -8.57 -0.76 0
332436 127250722 1 F3N3O3C18H20 A3B3C3D18E20 -229.43 4.29 -9.34 -0.83 0
332437 127250723 1 F3N3O3C18H20 A3B3C3D18E20 -233.14 2.42 -9.38 -0.58 0
332438 127250724 1 ClN3O3C22H22 AB3C3D22E22 -42.19 2.96 -9.02 -0.25 0
332439 127250725 1 ClN3O3C22H22 AB3C3D22E22 -43.28 5.47 -9.24 -0.38 0
332440 127250726 1 ClN3O3C23H26 AB3C3D23E26 -43.19 2.01 -8.72 -0.34 0
332441 127250727 1 ClN3O3C23H26 AB3C3D23E26 -45.77 1.32 -8.72 -0.2 0
332442 127250728 1 FO2N3C20H28 AB2C3D20E28 -86.83 2.28 -8.52 -0.18 0
332443 127250729 1 ClO2N3C20H28 AB2C3D20E28 -47.81 2.29 -8.51 -0.25 0
332444 127250730 1 N3O3C22H31 A3B3C22D31 -95.05 4.37 -8.76 0.2 0
332445 127250731 1 ClN3O3C22H28 AB3C3D22E28 -94.01 4.32 -9.19 -0.27 0
332446 127250732 1 FO3N5C20H20 AB3C5D20E20 -55.41 1.57 -9.35 -1.2 0
332447 127250733 1 F3O3N5H20C21 A3B3C5D20E21 -169.51 3.12 -9.46 -1.0 0
332448 127250734 1 FN3O3C18H22 AB3C3D18E22 -114.17 5.32 -9.24 -0.29 0
332449 127250735 1 ClN3O3C18H22 AB3C3D18E22 -82.19 5.01 -9.28 -0.26 0
332450 127250736 1 N3O3C21H29 A3B3C21D29 -90.48 2.41 -8.78 0.18 0
332451 127250737 1 F2O3N4H20C21 A2B3C4D20E21 -114.3 4.45 -9.3 -0.77 0
332452 127250738 1 O2N3C22H31 A2B3C22D31 -21.71 2.22 -8.68 0.27 0
332453 127250739 1 SN4O4C17H24 AB4C4D17E24 -95.53 5.53 -9.03 -0.07 0
332454 127250740 1 FSN4O4C17H23 ABC4D4E17F23 -140.13 4.54 -9.19 -0.36 0
332455 127250741 1 SN4O4C20H30 AB4C4D20E30 -110.76 6.18 -8.88 -0.14 0
332456 127250742 1 SF3N4O4C18H23 AB3C4D4E18F23 -260.03 4.77 -9.47 -0.5 0
332457 127250743 1 SN4O4C19H28 AB4C4D19E28 -108.06 4.49 -9.08 -0.04 0
332458 127250744 1 FSN4O4C19H27 ABC4D4E19F27 -153.66 4.51 -9.15 -0.17 0
332459 127250745 1 ClSN4O4C19H27 ABC4D4E19F27 -119.18 3.87 -9.01 -0.26 0
332460 127250746 1 N3O3C24H29 A3B3C24D29 -46.74 1.09 -8.67 0.25 0
332461 127250747 1 FO3N4C22H23 AB3C4D22E23 -78.0 2.77 -9.09 -0.24 0
332462 127250748 1 ClO4N5C21H24 AB4C5D21E24 -46.08 5.31 -9.16 -0.38 0
332463 127250749 1 ClFN3O3C23H23 ABC3D3E23F23 -100.61 4.45 -9.22 -0.34 0
332464 127250750 1 FN3O3C21H26 AB3C3D21E26 -119.84 2.62 -9.14 -0.16 0
332465 127250751 1 ClN3O3C21H26 AB3C3D21E26 -85.95 2.08 -9.24 -0.24 0
332466 127250752 1 F3N3O3C22H26 A3B3C3D22E26 -237.47 3.28 -9.28 -0.73 0
332467 127250753 1 O2N5C22H27 A2B5C22D27 7.06 5.24 -8.73 -0.09 0
332468 127250754 1 O2F3N5C20H20 A2B3C5D20E20 -137.68 2.98 -9.0 -0.55 0
332469 127250755 1 FO2N5C21H24 AB2C5D21E24 -42.57 1.13 -8.62 -0.2 0
332470 127250756 1 ClO2N5C21H24 AB2C5D21E24 -2.26 1.72 -8.75 -0.32 0
332471 127250757 1 ClO2N5C21H24 AB2C5D21E24 -0.31 2.55 -8.68 -0.26 0
332472 127250758 1 F2O2N5C21H23 A2B2C5D21E23 -84.17 2.68 -8.77 -0.58 0
332473 127250759 1 O2F3N5C22H24 A2B3C5D22E24 -159.56 3.37 -8.84 -0.55 0
332474 127250760 1 ClN3O3C22H28 AB3C3D22E28 -92.59 2.57 -9.11 -0.33 0
332475 127250761 1 F2N3O3C22H27 A2B3C3D22E27 -174.82 3.41 -9.29 -0.57 0
332476 127250762 1 FO3N5C21H22 AB3C5D21E22 -58.6 2.42 -9.2 -0.96 0
332477 127250763 1 ClO2N5C21H24 AB2C5D21E24 -6.12 1.94 -8.78 -0.36 0
332478 127250764 1 ClO2N5C21H24 AB2C5D21E24 -3.33 3.17 -8.84 -0.28 0
332479 127250765 1 F2O2N5C21H23 A2B2C5D21E23 -88.26 0.77 -8.94 -0.58 0
332480 127250766 1 O2F3N5C22H24 A2B3C5D22E24 -159.31 3.76 -8.86 -0.8 0
332481 127250767 1 ClN4O4C21H27 AB4C4D21E27 -109.36 1.97 -9.02 -0.25 0
332482 127250768 1 ClN4O4C21H27 AB4C4D21E27 -106.04 1.94 -9.06 -0.28 0
332483 127250769 1 ClN4O4C21H27 AB4C4D21E27 -110.49 2.49 -9.1 -0.24 0
332484 127250770 1 ClO3N4C21H27 AB3C4D21E27 -76.54 5.15 -9.14 -0.23 0
332485 127250771 1 SF2O3N4C21H22 AB2C3D4E21F22 -132.79 2.76 -9.31 -0.75 0
332486 127250772 1 FO3N5C24H24 AB3C5D24E24 -53.71 5.11 -9.01 -0.32 0
332487 127250773 1 ClO2N5C21H26 AB2C5D21E26 4.13 2.69 -8.66 -0.25 0
332488 127250774 1 ClO2N5C21H26 AB2C5D21E26 5.33 2.96 -8.65 -0.22 0
332489 127250775 1 F2O2N5C21H25 A2B2C5D21E25 -78.09 5.01 -8.67 -0.49 0
332490 127250776 1 O2N5C24H33 A2B5C24D33 -4.77 4.24 -8.58 0.21 0
332491 127250777 1 O2F3N5C22H26 A2B3C5D22E26 -149.9 4.29 -8.69 -0.53 0
332492 127250778 1 FO2N5C21H26 AB2C5D21E26 -31.36 1.91 -8.64 -0.24 0
332493 127250779 1 O3N5C22H29 A3B5C22D29 -23.23 2.02 -8.33 0.02 0
332494 127250780 1 ClO2N5C21H26 AB2C5D21E26 5.15 1.7 -8.64 -0.25 0
332495 127250781 1 ClO2N5C21H26 AB2C5D21E26 4.7 2.36 -8.63 -0.21 0
332496 127250782 1 FO2N4C25H25 AB2C4D25E25 -14.41 2.49 -8.81 -0.56 0
332497 127250783 1 O3N4C26H28 A3B4C26D28 -8.31 2.21 -8.81 -0.74 0
332498 127250784 1 O3N5C21H25 A3B5C21D25 -24.76 6.2 -9.1 0.06 0
332499 127250785 1 FO3N5C21H24 AB3C5D21E24 -71.97 4.3 -9.16 -0.36 0
332500 127250786 1 ClO3N5C21H24 AB3C5D21E24 -34.18 2.85 -9.04 -0.2 0
332501 127250787 2 ON3C11H14 AB3C11D14 25.27 1.56 -8.63 -0.08 0
332502 127250788 1 FO3N5C22H24 AB3C5D22E24 -60.88 5.17 -9.09 -0.26 0
332503 127250789 1 ClO3N5C22H24 AB3C5D22E24 -21.35 6.82 -9.08 -0.24 0
332504 127250790 1 ClO3N5C22H24 AB3C5D22E24 -25.81 4.78 -9.14 -0.34 0
332505 127250791 1 O3N5C25H31 A3B5C25D31 -33.83 5.77 -8.73 0.21 0
332506 127250792 1 FO4N5C20H22 AB4C5D20E22 -70.69 2.43 -9.4 -0.52 0
332507 127250793 1 ClO4N5C20H22 AB4C5D20E22 -29.19 1.4 -9.12 -0.53 0
332508 127250794 1 ClO4N5C20H22 AB4C5D20E22 -32.13 3.82 -9.4 -0.51 0
332509 127250795 1 O4N5C23H29 A4B5C23D29 -39.85 3.57 -8.76 -0.46 0
332510 127250796 1 ClO3N5C21H24 AB3C5D21E24 -30.35 2.45 -9.03 -0.19 0
332511 127250797 1 ClSO3N4C20H21 ABC3D4E20F21 -36.71 3.33 -9.07 -0.97 0
332512 127250798 1 ClSO3N4C20H21 ABC3D4E20F21 -34.76 2.04 -9.1 -0.96 0
332513 127250799 1 ClSO3N4C20H21 ABC3D4E20F21 -38.02 3.88 -9.31 -0.98 0
332514 127250800 1 SO3N4C23H28 AB3C4D23E28 -45.44 4.05 -8.74 -0.99 0
332515 127250801 1 ClO3N6C21H23 AB3C6D21E23 -38.44 3.41 -9.29 -0.58 0
332516 127250802 1 ClN4O4C21H25 AB4C4D21E25 -119.36 2.95 -9.04 -0.27 0
332517 127250803 1 F2N4O4C21H24 A2B4C4D21E24 -200.09 1.92 -9.37 -0.59 0
332518 127250804 1 ClO3N5C22H26 AB3C5D22E26 -46.84 5.3 -9.12 -0.28 0
332519 127250805 1 ClO3N5C22H26 AB3C5D22E26 -49.32 5.46 -9.13 -0.31 0
332520 127250806 1 F2O3N5C22H25 A2B3C5D22E25 -129.23 4.74 -9.12 -0.64 0
332521 127250807 1 FN4O4C19H23 AB4C4D19E23 -162.43 2.87 -9.31 -0.13 0
332522 127250808 1 ClN4O4C19H23 AB4C4D19E23 -121.1 1.99 -9.05 -0.21 0
332523 127250809 1 F3N4O4C20H23 A3B4C4D20E23 -275.55 3.67 -9.44 -0.74 0
332524 127250810 1 F3N4O4C20H23 A3B4C4D20E23 -278.69 3.36 -9.45 -0.57 0
332525 127250811 1 ClO2N4C25H25 AB2C4D25E25 22.85 4.09 -8.84 -0.46 0
332526 127250812 1 FO2N5C20H24 AB2C5D20E24 -21.32 3.12 -8.84 -0.32 0
332527 127250813 1 FO2N5C20H24 AB2C5D20E24 -20.19 2.03 -8.81 -0.15 0
332528 127250814 1 ClO2N5C20H24 AB2C5D20E24 14.86 2.87 -8.85 -0.26 0
332529 127250815 1 ClO2N5C20H24 AB2C5D20E24 16.31 3.26 -8.82 -0.22 0
332530 127250816 1 F2O2N5C20H23 A2B2C5D20E23 -67.21 2.57 -8.89 -0.42 0