List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
50896 12013487 1 ON2H12C14 AB2C12D14 4.98 0.85 -8.99 -1.28 0
50897 12013488 1 BrON2H11C14 ABC2D11E14 6.67 2.33 -9.08 -1.52 0
50898 12013489 1 ON2C16H16 AB2C16D16 1.8 0.91 -8.98 -1.27 0
50899 12013490 1 NBr2C6H7 AB2C6D7 26.59 1.7 -10.73 -0.72 0
50900 12013491 1 Br2O2C7H10 A2B2C7D10 -91.0 3.08 -10.52 -0.48 0
50901 12013492 1 BrNOC7H10 ABCD7E10 -13.4 5.69 -10.41 -0.52 0
50902 12013493 1 BrNOC7H10 ABCD7E10 -14.79 3.73 -10.36 -0.44 0
50903 12013494 1 BrNC6H6 ABC6D6 87.86 2.4 -10.41 -0.88 0
50904 12013495 1 BrNC6H6 ABC6D6 49.76 2.92 -10.04 -0.2 0
50905 12013497 1 NOC7H9 ABC7D9 9.59 4.8 -9.09 0.95 0
50906 12013498 1 SN3C7H15 AB3C7D15 -5.68 1.55 -9.17 -0.05 0
50907 12013500 1 OC11H12 AB11C12 -2.23 3.35 -9.91 -0.45 0
50908 12013501 1 OH14C16 AB14C16 31.55 2.95 -9.46 -0.44 0
50909 12013502 1 OH14C18 AB14C18 84.49 3.02 -9.2 -0.42 0
50910 12013503 1 OH14C18 AB14C18 83.6 3.16 -9.34 -0.59 0
50911 12013504 1 OC13H14 AB13C14 19.49 3.08 -9.94 -0.47 0
50912 12013505 1 OC13H14 AB13C14 -1.38 3.39 -9.89 -0.43 0
50913 12013506 1 OH14C17 AB14C17 36.89 3.41 -9.08 -0.5 0
50914 12013507 1 SO2N5H19C21 AB2C5D19E21 54.77 4.09 -8.38 -0.74 0
50915 12013508 1 OSN5H15C19 ABC5D15E19 113.4 2.16 -8.42 -0.87 0
50916 12013509 1 OSN5H17C20 ABC5D17E20 105.57 7.41 -8.48 -0.88 0
50917 12013510 1 SO3N5H15C19 AB3C5D15E19 59.62 10.38 -8.48 -1.98 0
50918 12013511 1 SO3N5H17C20 AB3C5D17E20 49.53 11.27 -8.43 -1.87 0
50919 12013512 1 SO2N5H13C18 AB2C5D13E18 105.81 10.96 -8.48 -2.0 0
50920 12013514 1 FO2C11H13 AB2C11D13 -125.01 1.15 -9.8 -0.24 0
50921 12013515 1 NO2C18H21 AB2C18D21 -42.14 3.89 -7.99 0.07 0
50922 12013516 1 O3C12H16 A3B12C16 -118.1 3.72 -8.94 0.14 0
50923 12013517 1 O2C17H18 A2B17C18 -54.2 4.0 -9.35 -0.17 0
50924 12013518 1 O2C15H16 A2B15C16 -60.84 2.31 -9.03 -0.59 0
50925 12013519 1 FNO2C18H20 ABC2D18E20 -90.65 1.52 -8.04 -0.22 0
50926 12013520 1 ClNO2C18H20 ABC2D18E20 -52.33 3.55 -8.06 -0.37 0
50927 12013521 1 BrNO2C18H20 ABC2D18E20 -39.01 2.64 -8.06 -0.21 0
50928 12013523 1 NO2C19H23 AB2C19D23 -49.03 3.93 -7.96 0.22 0
50929 12013524 1 NO2C22H23 AB2C22D23 -26.83 2.68 -7.81 -0.42 0
50930 12013525 1 ClN2O2H11C16 AB2C2D11E16 -15.88 2.92 -8.99 -1.58 0
50931 12013526 1 ClN2O2H11C16 AB2C2D11E16 -16.68 4.32 -9.08 -1.55 0
50932 12013529 1 N3O4H11C16 A3B4C11D16 -5.27 1.04 -9.35 -1.93 0
50933 12013530 1 O2N3H11C17 A2B3C11D17 25.59 3.8 -9.26 -1.72 0
50934 12013531 1 O2N3H11C17 A2B3C11D17 26.42 6.15 -9.24 -1.86 0
50935 12013532 1 N2O2H14C17 A2B2C14D17 -17.09 4.56 -8.74 -1.31 0
50936 12013534 1 O3C17H30 A3B17C30 -180.48 3.54 -9.91 0.45 0
50937 12013536 4 OH5C7 AB5C7 -64.9 3.32 -9.34 -1.47 0
50938 12013537 1 NH21C22 AB21C22 63.2 1.45 -8.17 0.17 0
50939 12013538 1 O4C11H20 A4B11C20 -228.14 2.66 -10.67 0.82 0
50941 12013540 1 OH22C29 AB22C29 88.03 3.0 -8.25 -0.66 0
50942 12013541 1 FO4C8H11 AB4C8D11 -223.33 4.52 -10.69 -0.08 0
50943 12013542 1 FO4C8H11 AB4C8D11 -223.45 4.76 -10.69 -0.06 0
50944 12013544 2 O2H5C6 A2B5C6 -121.47 3.47 -9.72 -1.59 0
50945 12013545 1 O4C15H16 A4B15C16 -147.02 4.52 -9.57 -1.41 0
50946 12013546 1 O3H10C12 A3B10C12 -79.53 3.18 -9.61 -1.44 0
50947 12013547 1 O3H12C13 A3B12C13 -82.65 3.08 -9.6 -1.44 0
50948 12013548 1 O3H12C14 A3B12C14 -79.09 6.91 -9.81 -0.58 0
50949 12013549 1 NO2S2C13H15 AB2C2D13E15 -1.82 5.78 -8.28 -0.72 0
50950 12013550 1 NO2S2C14H15 AB2C2D14E15 23.46 6.15 -8.3 -0.79 0
50951 12013551 1 NO2S2C16H19 AB2C2D16E19 -10.2 5.9 -8.23 -0.66 0
50952 12013552 1 NO2S2C17H21 AB2C2D17E21 -14.21 6.33 -8.22 -0.66 0
50953 12013553 1 NS2O8C22H25 AB2C8D22E25 -276.43 4.52 -8.3 -0.84 0
50954 12013554 1 ON3C21H21 AB3C21D21 39.94 3.98 -8.76 -0.42 0
50955 12013555 2 ON2C9H12 AB2C9D12 -67.58 3.18 -9.03 -0.9 0
50956 12013557 1 ON4C13H16 AB4C13D16 -0.15 4.84 -9.24 -1.11 0
50957 12013558 1 ON3C11H17 AB3C11D17 -42.94 4.21 -9.12 -0.18 0
50958 12013559 1 ON3C13H15 AB3C13D15 -0.37 5.19 -9.36 -1.12 0
50960 12013562 2 ON3C12H16 AB3C12D16 -40.91 2.3 -9.11 -0.97 0
50962 12013565 1 N2O5H20C24 A2B5C20D24 -71.45 4.16 -9.72 -0.58 0
50963 12013566 1 N2O5H22C25 A2B5C22D25 -81.51 3.31 -9.4 -0.6 0
50964 12013569 1 O3C17H18 A3B17C18 -73.7 1.13 -8.94 -0.56 0
50965 12013570 1 F3O3C14H15 A3B3C14D15 -253.38 3.0 -10.39 -0.82 0
50966 12013571 1 NO5C13H15 AB5C13D15 -95.2 5.04 -10.68 -1.52 0
50967 12013572 1 O3C28H38 A3B28C38 -106.92 1.27 -8.92 0.11 0
50968 12013573 1 NO2C25H25 AB2C25D25 11.51 1.53 -8.8 -0.08 0
50969 12013574 1 O4F9H9C12 A4B9C9D12 -642.24 4.61 -9.98 -1.14 0
50970 12013576 3 FOC3H3 ABC3D3 -263.88 2.77 -8.88 -0.26 0
50971 12013577 1 O2F3C9H9 A2B3C9D9 -237.96 5.1 -9.49 -0.47 0
50972 12013578 1 O2F3C18H19 A2B3C18D19 -239.66 3.16 -8.75 0.05 0
50973 12013579 1 CrNO6C15H29 ABC6D15E29 -85.96 12.29 -7.23 -1.15 0