List Systems

Back
Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
334790 127253465 1 N3O5C21H21 A3B5C21D21 -92.99 11.05 -8.81 -1.32 0
334791 127253466 1 ClN5O7C27H28 AB5C7D27E28 -124.12 4.61 -8.53 -1.99 0
334792 127253467 1 N2O4H26C27 A2B4C26D27 -101.86 5.52 -8.11 -1.13 0
334793 127253468 1 O3N6H24C25 A3B6C24D25 -15.62 4.63 -9.01 -0.86 0
334794 127253469 1 NO5H21C26 AB5C21D26 -102.01 4.04 -8.59 -1.58 0
334795 127253470 1 N2O7C27H28 A2B7C27D28 -203.05 5.82 -8.0 -0.92 0
334796 127253471 1 N6O8C39H48 A6B8C39D48 -198.04 5.52 -8.07 -0.46 0
334797 127253472 1 N4O6C25H26 A4B6C25D26 -201.33 7.08 -8.79 -0.63 0
334798 127253473 1 S2N5O8C35H49 A2B5C8D35E49 -264.81 11.83 -8.33 -0.68 0
334799 127253474 1 N4O6C35H40 A4B6C35D40 -152.07 8.64 -8.04 -0.42 0
334800 127253475 1 O3N5H23C24 A3B5C23D24 -26.52 3.54 -9.12 -0.9 0
334801 127253476 2 N2O3H12C13 A2B3C12D13 -112.99 4.94 -8.44 -1.45 0
334802 127253477 1 ClN3O7H20C24 AB3C7D20E24 -192.29 4.81 -8.96 -1.46 0
334803 127253478 1 ClN2O7C23H25 AB2C7D23E25 -190.11 6.51 -7.54 -0.64 1
334804 127253479 1 N2O7C23H25 A2B7C23D25 -192.6 10.93 0.0 0.0 0
334805 127253480 1 NO7H23C26 AB7C23D26 -174.05 3.6 -8.36 -1.57 0
334806 127253481 1 N5O6C36H43 A5B6C36D43 -154.14 4.85 -8.63 -0.55 0
334807 127253482 1 O3N4H24C26 A3B4C24D26 -43.02 4.98 -9.07 -0.86 0
334808 127253483 1 ClN2O5H23C25 AB2C5D23E25 -117.85 7.03 -8.8 -0.52 0
334809 127253484 1 N2O5C19H24 A2B5C19D24 -193.65 5.5 -9.01 -0.57 0
334810 127253485 1 ClNO8H20C23 ABC8D20E23 -261.46 5.62 -9.35 -0.99 0
334811 127253486 1 ClN2O7H23C24 AB2C7D23E24 -220.88 4.98 -9.04 -0.49 0
334812 127253487 1 N3O4H21C22 A3B4C21D22 -107.36 4.93 -8.68 -0.61 0
334813 127253488 2 NO3H12C14 AB3C12D14 -137.53 4.33 -8.48 -1.46 0
334814 127253489 2 N2O4C16H17 A2B4C16D17 -234.95 7.7 -8.45 -0.7 0
334815 127253490 1 ClN4O6H21C25 AB4C6D21E25 -104.39 2.52 -8.93 -1.43 0
334816 127253491 1 ClN4O5H23C24 AB4C5D23E24 -95.96 9.37 -8.99 -0.7 0
334817 127253492 1 N2O4C25H30 A2B4C25D30 -120.87 6.72 -8.38 -0.52 0
334818 127253493 1 N3O5C29H39 A3B5C29D39 -202.57 8.99 -8.94 -0.61 0
334819 127253494 1 N5O6C39H49 A5B6C39D49 -34.5 8.98 -8.26 -0.89 0
334820 127253495 1 N2O7C27H36 A2B7C27D36 -267.75 3.12 -8.59 -0.59 0
334821 127253496 1 O2N3C21H21 A2B3C21D21 -9.9 5.97 -8.34 -0.32 0
334822 127253628 1 N3O4C23H23 A3B4C23D23 -57.21 3.4 -8.33 -1.34 0
334823 127253629 2 O3H10C13 A3B10C13 -127.66 4.46 -8.48 -1.35 0
334824 127253630 1 N3O6C27H31 A3B6C27D31 -181.42 3.47 -8.69 -0.68 0
334825 127253631 1 O2N4C27H34 A2B4C27D34 -47.78 7.17 -8.24 -0.68 0
334826 127253632 4 NOC7H7 ABC7D7 -114.62 3.39 -9.09 -1.01 0
334827 127253633 1 ClNSO6C20H24 ABCD6E20F24 -220.43 5.49 -8.81 -0.44 0
334828 127253634 1 ClN3O5H24C25 AB3C5D24E25 -113.78 8.47 -8.91 -0.57 0
334829 127253635 1 N5O7C35H47 A5B7C35D47 -199.1 6.3 -8.69 -0.58 0
334830 127253636 1 O3N4C24H26 A3B4C24D26 -79.36 8.17 -8.51 -0.2 0
334831 127253637 1 O2N3C24H35 A2B3C24D35 -73.44 3.38 -8.4 0.06 0
334832 127253638 1 O2N3C22H37 A2B3C22D37 -94.59 6.44 -8.6 1.2 0
334833 127253639 1 NO5C22H25 AB5C22D25 -157.61 5.17 -9.26 -0.87 0
334834 127253640 3 NOC7H7 ABC7D7 -55.76 1.77 -8.41 -0.02 0
334835 127253641 1 ClN5O5H20C23 AB5C5D20E23 -57.74 5.48 -8.94 -0.64 0
334836 127253642 1 N3O3C24H29 A3B3C24D29 -72.83 4.11 -8.31 0.05 0
334837 127253643 1 ClNO8H24C31 ABC8D24E31 -214.98 4.01 -8.62 -0.88 0
334838 127253644 1 BrClSN3O7H23C27 ABCD3E7F23G27 -199.12 8.48 -9.11 -1.09 0
334839 127253645 2 ON3C9H14 AB3C9D14 -39.26 9.39 -9.52 -0.4 0
334840 127253646 1 N5O6C37H43 A5B6C37D43 -148.64 10.79 -8.3 -0.97 0
334841 127253647 1 S2N5O7C30H37 A2B5C7D30E37 -165.16 12.5 -8.42 -0.88 0
334842 127253648 1 ClN2O5H21C25 AB2C5D21E25 -108.66 7.11 -8.9 -1.06 0
334843 127253649 2 NO3C9H11 AB3C9D11 -216.15 6.03 -8.78 -0.4 0
334844 127253650 1 N3O8C35H41 A3B8C35D41 -241.27 3.36 -8.45 -0.52 0
334845 127253651 1 SN3O7C21H29 AB3C7D21E29 -263.39 1.79 -8.84 -0.7 0
334846 127253652 1 SN6O6C37H46 AB6C6D37E46 6.92 12.6 -8.57 -1.15 0
334847 127253653 1 ClN3O5C21H22 AB3C5D21E22 -129.11 7.77 -8.97 -0.52 0
334848 127253654 1 N3O5C23H23 A3B5C23D23 -162.56 3.46 -9.36 -1.25 0
334849 127253655 2 NO3C9H9 AB3C9D9 -168.99 5.33 -8.85 -0.54 0
334850 127253656 1 ClSN3O6C22H22 ABC3D6E22F22 -174.95 4.75 -8.88 -0.71 0
334851 127253657 1 ClN3O6C25H26 AB3C6D25E26 -184.91 3.27 -8.88 -0.43 0
334852 127253658 1 N3O5C23H25 A3B5C23D25 -153.32 6.02 -8.27 -0.68 0
334853 127253659 1 SO2N4C21H24 AB2C4D21E24 -35.24 4.58 -9.18 -1.24 0
334854 127253660 2 N2O2H11C13 A2B2C11D13 -85.4 6.29 -8.11 -0.63 0
334855 127253661 1 N3O4C22H23 A3B4C22D23 -115.58 6.75 -9.04 -0.83 0
334856 127253662 1 NO6H31C33 AB6C31D33 -129.51 7.85 -7.93 -1.09 0
334857 127253663 1 ClN3O6C25H26 AB3C6D25E26 -188.57 6.74 -8.88 -0.73 0
334858 127253664 1 N2O5H16C23 A2B5C16D23 -88.43 5.35 -8.49 -1.33 0
334859 127253665 2 NO3C10H10 AB3C10D10 -103.19 4.78 -8.06 -0.73 0
334860 127253666 1 ClN3O6C22H24 AB3C6D22E24 -154.98 3.24 -8.83 -0.5 0
334861 127253667 1 N5O8C34H37 A5B8C34D37 -227.37 8.34 -8.71 -0.71 0
334862 127253668 1 N3O5C25H29 A3B5C25D29 -163.86 5.06 -8.16 -0.75 0
334863 127253669 1 ClSN2O5C22H23 ABC2D5E22F23 -146.74 4.53 -8.83 -0.5 0
334864 127253670 1 ClNO6H24C25 ABC6D24E25 -179.57 5.92 -8.87 -0.41 0