List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
93657 49995932 1 O5N6C37H50 A5B6C37D50 -223.42 12.38 -8.27 -0.4 0
93658 49995933 1 N6O7C40H54 A6B7C40D54 -284.48 3.93 -8.76 -0.65 0
93659 49995935 2 N3O3C21H29 A3B3C21D29 -268.93 4.39 -8.89 -0.22 0
93661 49995939 2 N3O3C20H28 A3B3C20D28 -268.17 1.97 -8.64 -0.19 0
93662 49995942 1 N6O6C43H54 A6B6C43D54 -234.57 10.21 -8.54 -0.54 0
93663 49995943 1 FN6O6C42H51 AB6C6D42E51 -270.46 8.66 -8.81 -0.95 0
93664 49995946 1 FO5N6C42H53 AB5C6D42E53 -248.33 6.89 -8.97 -0.47 0
93665 49995947 1 FO5N6C43H55 AB5C6D43E55 -263.0 8.55 -8.93 -0.89 0
93666 49995955 1 ClO5N6C42H53 AB5C6D42E53 -215.88 12.62 -8.72 -0.63 0
93667 49995957 1 ClO5N6C38H53 AB5C6D38E53 -249.04 6.94 -8.85 -0.43 0
93668 49995958 1 ClO5N6C37H51 AB5C6D37E51 -251.75 4.82 -8.7 -0.27 0
93669 49995960 1 ClO5N6C39H55 AB5C6D39E55 -260.36 3.99 -8.69 -0.26 0
93670 49995961 1 ClO5N6C41H57 AB5C6D41E57 -258.91 5.97 -8.75 -0.41 0
93671 49995962 1 ClO5N6C42H53 AB5C6D42E53 -218.45 9.29 -8.69 -0.46 0
93672 49995963 1 ClO5N6C42H53 AB5C6D42E53 -221.16 6.48 -8.86 -0.45 0
93673 49995970 1 FO5N6C43H53 AB5C6D43E53 -223.38 6.45 -8.96 -0.67 0
93674 49995973 1 O5N6C42H52 A5B6C42D52 -195.31 7.88 -8.78 -0.34 0
93675 49995981 1 O5N6C42H58 A5B6C42D58 -228.0 9.42 -8.62 -0.45 0
93676 49995986 1 O5N6C42H58 A5B6C42D58 -230.98 8.87 -8.77 -0.22 0
93677 49995989 1 ClO5N6C41H57 AB5C6D41E57 -252.93 8.84 -9.04 -0.85 0
93678 49995997 1 ClO5N6C41H57 AB5C6D41E57 -258.13 7.43 -8.89 -0.71 0
93679 49996002 1 ClO5N6C39H55 AB5C6D39E55 -256.6 5.72 -8.87 -0.41 0
93680 49996008 1 ClO5N6C38H53 AB5C6D38E53 -252.52 8.96 -8.23 -0.53 0
93681 49996009 1 ClO5N6C37H51 AB5C6D37E51 -248.81 6.94 -8.66 -0.54 0
93682 49996011 1 F2O5N6C42H50 A2B5C6D42E50 -290.92 8.02 -8.94 -0.71 0
93683 49996012 1 FO5N6C42H51 AB5C6D42E51 -238.82 5.66 -8.83 -0.38 0
93684 49996032 1 ClO5N6C36H49 AB5C6D36E49 -238.35 9.68 -8.75 -0.94 0
93685 49996034 1 ClO5N6C41H51 AB5C6D41E51 -206.72 8.21 -8.95 -1.07 0
93686 49996036 1 ClO5N6C35H47 AB5C6D35E47 -232.36 8.26 -8.85 -1.13 0
93687 49996039 1 ClO5N6C41H57 AB5C6D41E57 -257.28 5.26 -9.01 -0.55 0
93688 49996040 1 ClO5N6C38H53 AB5C6D38E53 -251.31 7.51 -8.85 -0.92 0
93689 49996046 1 O4N5C34H45 A4B5C34D45 -170.32 9.54 -8.57 -0.27 0
93690 49996054 1 ClO4N5C35H46 AB4C5D35E46 -188.44 9.34 -8.92 -0.21 0
93691 49996061 1 O5N6C40H56 A5B6C40D56 -241.6 10.81 -8.89 -0.3 0
93692 49996094 1 Cl2O4N5C34H43 A2B4C5D34E43 -188.93 10.87 -8.84 -0.49 0
93693 49996105 1 FO5N6C42H51 AB5C6D42E51 -240.39 6.56 -8.85 -0.63 0
93694 49996107 1 O5N6C43H54 A5B6C43D54 -197.03 5.99 -8.64 -0.31 0
93695 49996108 1 FO5N6C42H51 AB5C6D42E51 -246.61 8.6 -8.9 -0.62 0
93696 49996113 1 BrO5N6C36H47 AB5C6D36E47 -210.25 14.12 -8.77 -0.78 0
93697 49996115 1 ClO5N6C37H49 AB5C6D37E49 -218.86 8.73 -8.84 -0.71 0
93698 49996117 1 ClO5N6C41H55 AB5C6D41E55 -237.8 11.32 -8.7 -0.7 0
93699 49996123 1 O5N6C42H54 A5B6C42D54 -204.7 7.89 -8.48 -0.42 0
93700 49996124 1 O5N6C42H54 A5B6C42D54 -206.02 8.76 -8.45 -0.42 0
93701 49996127 1 O5N6C41H52 A5B6C41D52 -196.52 9.01 -8.3 -0.46 0
93702 49996130 6 NOC7H9 ABC7D9 -236.34 3.98 -8.28 -0.38 0
93703 49996161 1 ClO5N6C36H47 AB5C6D36E47 -225.28 12.56 -8.65 -0.96 0
93704 49996225 1 BrFO4N5C34H43 ABC4D5E34F43 -211.75 8.15 -8.93 -0.44 0
93706 49996228 1 SO4N7C33H47 AB4C7D33E47 -161.82 13.27 -8.8 -0.71 0
93707 49996243 1 FO5N6C43H53 AB5C6D43E53 -251.69 1.96 -8.8 -0.37 0
93708 49996270 1 FO5N6C42H53 AB5C6D42E53 -249.56 7.45 -8.88 -0.42 0
93709 49996276 1 O5N6C41H52 A5B6C41D52 -198.24 8.13 -8.87 -0.45 0
93710 49996285 1 O5N6C42H60 A5B6C42D60 -257.07 11.43 -8.73 -0.67 0
93711 49996286 1 O5N6C39H56 A5B6C39D56 -230.99 8.06 -9.12 -0.54 0
93712 49996288 1 O5N6C39H56 A5B6C39D56 -240.37 4.71 -9.02 -0.52 0
93713 49996298 1 ClO5N6C33H43 AB5C6D33E43 -227.52 10.95 -9.0 -0.72 0
93714 49996314 1 F2O5N6C41H50 A2B5C6D41E50 -291.64 14.08 -8.99 -0.66 0
93715 49996320 1 O5N6C41H58 A5B6C41D58 -209.87 5.74 -9.18 -0.48 0
93716 49996321 1 O5N6C38H54 A5B6C38D54 -243.19 9.04 -9.01 -0.47 0
93717 49996329 1 FO5N6C41H51 AB5C6D41E51 -247.74 9.86 -8.81 -0.98 0
93718 49996337 1 ClO5N6C37H49 AB5C6D37E49 -227.49 9.33 -8.86 -0.63 0
93719 49996338 1 ClO5N6C38H51 AB5C6D38E51 -239.02 7.7 -8.76 -0.78 0
93720 49996339 1 ClO5N6C39H53 AB5C6D39E53 -242.23 3.32 -8.84 -0.62 0
93721 49996347 1 N6O6C37H52 A6B6C37D52 -269.24 8.99 -8.42 -0.17 0
93722 49996349 1 N6O6C35H48 A6B6C35D48 -263.97 7.78 -8.32 -0.13 0
93723 49996350 2 N3O3C19H27 A3B3C19D27 -277.04 10.85 -8.32 -0.08 0
93724 49996351 2 N3O3C20H28 A3B3C20D28 -280.84 7.46 -8.27 -0.07 0
93725 49996383 1 N6O6C37H52 A6B6C37D52 -269.77 10.01 -8.65 -0.45 0
93726 49996390 1 O5N6C41H52 A5B6C41D52 -207.23 10.69 -8.54 -0.39 0
93727 49996391 1 O5N6C40H50 A5B6C40D50 -189.78 11.25 -8.61 -0.52 0
93728 49996392 1 FO5N6C40H49 AB5C6D40E49 -239.14 2.58 -8.64 -0.56 0
93729 49996393 1 FO5N6C40H49 AB5C6D40E49 -240.78 3.31 -8.68 -0.64 0
93730 49996395 1 N6O6C41H52 A6B6C41D52 -237.91 8.39 -8.72 -0.3 0
93731 49996409 1 FO5N6C41H51 AB5C6D41E51 -248.6 11.16 -8.86 -0.68 0
93732 49996410 1 F2O5N6C41H50 A2B5C6D41E50 -291.66 9.88 -9.05 -0.85 0
93733 49996411 1 ClN6O6C39H53 AB6C6D39E53 -273.88 11.39 -8.88 -0.7 0
93734 49996415 1 ClO5N6C36H49 AB5C6D36E49 -235.6 8.21 -8.98 -0.66 0
93735 49996416 1 ClO5N6C39H55 AB5C6D39E55 -249.05 7.34 -9.12 -0.58 0
93736 49996419 2 N3O3C18H25 A3B3C18D25 -265.52 5.42 -8.8 -0.4 0
93737 49996424 3 N2O2C13H18 A2B2C13D18 -274.85 8.82 -8.76 -0.55 0
93738 49996428 1 N6O6C35H48 A6B6C35D48 -256.23 3.05 -8.83 -0.37 0
93739 49996429 2 N3O3C19H27 A3B3C19D27 -263.71 10.33 -8.86 -0.33 0
93740 49996437 1 FN6O6C40H49 AB6C6D40E49 -275.8 7.25 -8.79 -0.81 0
93741 49996438 1 F2O5N6C39H46 A2B5C6D39E46 -284.36 4.64 -8.89 -0.82 0
93742 49996445 1 FO5N6C42H53 AB5C6D42E53 -255.74 6.86 -8.71 -0.56 0
93743 49996451 1 O5N6C40H58 A5B6C40D58 -249.04 9.34 -9.2 -0.5 0
93744 49996453 1 O5N6C41H58 A5B6C41D58 -243.46 12.94 -8.93 -0.58 0
93745 49996455 6 NOC7H10 ABC7D10 -283.31 5.95 -8.68 -0.24 0
93747 49996459 1 N6O6C41H58 A6B6C41D58 -278.06 15.5 -8.57 -0.7 0
93748 49996460 6 NOC7H10 ABC7D10 -282.35 9.89 -8.94 -0.38 0
93749 49996482 1 FO5N6C34H45 AB5C6D34E45 -272.86 4.67 -8.88 -0.38 0
93750 49996485 1 FO5N6C39H53 AB5C6D39E53 -284.37 8.81 -8.76 -0.28 0
93751 49996487 1 F2O5N6C39H46 A2B5C6D39E46 -279.99 7.18 -8.73 -0.61 0
93752 49996488 2 N3O3C20H28 A3B3C20D28 -269.33 11.37 -9.0 -0.5 0
93753 49996489 1 O5N6C41H58 A5B6C41D58 -248.24 5.49 -8.86 -0.4 0
93754 49996495 1 FO5N6C43H55 AB5C6D43E55 -255.91 8.26 -8.76 -0.47 0
93755 49996503 1 N6O6C43H56 A6B6C43D56 -243.79 8.47 -8.65 -0.53 0
93756 49996504 1 FN6O6C42H53 AB6C6D42E53 -285.56 11.04 -8.74 -0.6 0
93757 49996505 1 FN6O6C42H53 AB6C6D42E53 -278.94 8.32 -8.82 -0.39 0
93758 49996506 1 O5N6C36H50 A5B6C36D50 -229.6 5.68 -8.76 -0.88 0
93760 49996523 1 FO5N6C40H49 AB5C6D40E49 -236.98 10.06 -8.84 -0.44 0