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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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15876 454166 1 O4N5C13H19 A4B5C13D19 -114.12 2.2 -9.68 -0.54 0
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15877 454173 1 P3N5C12O13H20 A3B5C12D13E20 -700.2 7.06 -9.46 -0.78 0
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15878 454239 1 NO6C14H15 AB6C14D15 -226.23 5.16 -9.14 -0.81 0
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15879 454263 1 N2S3O10H12C16 A2B3C10D12E16 -299.36 3.24 -9.73 -2.23 0
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15880 454264 1 O9C21H22 A9B21C22 -327.84 6.57 -9.12 -0.9 0
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15881 454306 1 O5N7C35H41 A5B7C35D41 -148.9 5.1 -9.26 -1.39 0
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15882 454307 1 SiN3O4C17H33 AB3C4D17E33 -246.25 4.49 -8.74 -0.62 0
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15883 454384 1 N2O5C28H40 A2B5C28D40 -250.29 5.88 -9.38 0.16 0
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15884 454420 1 O2N3C19H23 A2B3C19D23 -43.54 5.38 -8.75 -0.38 0
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15885 454436 1 N3O4C17H17 A3B4C17D17 -106.5 3.41 -9.18 -0.83 0
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15886 454454 1 O4N5C10H15 A4B5C10D15 -102.54 5.81 -9.7 -0.56 0
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15887 454502 2 O4N9C26H34 A4B9C26D34 -205.28 4.15 -8.49 -0.45 0
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15888 454508 1 SN2O4C9H12 AB2C4D9E12 -167.79 3.01 -9.56 -0.7 0
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15889 454512 1 ClSN2O4C8H9 ABC2D4E8F9 -164.55 5.74 -9.68 -0.92 0
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15890 454521 1 ClSN3O3C8H10 ABC3D3E8F10 -107.74 4.76 -9.44 -0.71 0
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15891 454551 2 NOSC10H13 ABCD10E13 -51.79 6.09 -8.79 -0.88 0
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15892 454578 1 NS2O10C20H25 AB2C10D20E25 -411.22 5.96 -9.33 -1.77 0
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15893 454647 3 NOH7C9 ABC7D9 58.04 4.94 -9.02 -1.36 0
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15894 454651 1 OS2N3H21C24 AB2C3D21E24 59.4 1.99 -8.65 -0.28 0
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15895 454652 1 ON3C29H35 AB3C29D35 18.71 2.4 -8.68 -0.14 0
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15896 454653 1 ON3C30H45 AB3C30D45 -45.72 3.29 -8.61 -0.07 0
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15897 454685 1 PCl3N6O8C22H26 AB3C6D8E22F26 -351.38 5.35 -9.66 -0.71 0
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15898 454722 1 SN3C20H21 AB3C20D21 77.23 2.52 -8.7 -0.8 0
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15899 454727 1 O2N5C22H25 A2B5C22D25 0.98 5.59 -8.57 -1.08 0
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15900 454744 1 O2S3H12C15 A2B3C12D15 -17.19 4.56 -8.7 -1.36 0
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15901 454753 1 NO2S3C17H17 AB2C3D17E17 -19.02 1.53 -8.64 -1.21 0
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15902 454760 1 SN3O6C29H45 AB3C6D29E45 -297.73 5.71 -9.13 0.1 0
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15903 454761 1 N3O5C30H47 A3B5C30D47 -260.43 5.29 -9.22 0.29 0
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15904 454763 1 SN3O6C30H47 AB3C6D30E47 -301.1 5.75 -9.28 0.2 0
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15905 454767 1 SN3O6C32H51 AB3C6D32E51 -306.33 11.49 -9.05 0.29 0
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15906 454861 1 PN2F6O7C14H15 AB2C6D7E14F15 -665.33 5.95 -9.36 -0.74 0
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15907 454865 1 FIN5O5H23C27 ABC5D5E23F27 -120.16 2.77 -9.91 -1.45 0
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15908 454870 1 IO3N5C13H16 AB3C5D13E16 -63.92 1.97 -9.24 -1.11 0
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15909 454878 2 O3C14H15 A3B14C15 -237.65 0.52 -8.51 -0.6 0
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15910 454960 2 SO3N4C23H29 AB3C4D23E29 -245.59 8.88 -8.59 -0.95 0
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15911 454961 2 SO3N5C18H26 AB3C5D18E26 -253.36 12.35 -8.98 -0.69 0
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15912 454967 2 SO3N4C24H29 AB3C4D24E29 -183.57 7.3 -8.94 -0.77 0
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15913 454997 1 O10N12C41H70 A10B12C41D70 -477.24 9.98 -9.37 -0.66 0
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15914 455010 1 SN4O4C32H38 AB4C4D32E38 -131.67 2.92 -9.28 -0.26 0
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15915 455103 1 NOSCl2H11C16 ABCD2E11F16 2.45 3.27 -9.3 -1.05 0
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15916 455182 1 FSO2N5C9H10 ABC2D5E9F10 -60.38 3.05 -9.44 -0.86 0
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15917 455193 2 ClNOH7C8 ABCD7E8 -54.88 3.63 -8.73 -0.73 0
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15918 455225 1 O4N5C9H11 A4B5C9D11 -96.28 10.61 -9.37 -0.6 0
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15919 455227 1 ClO3N5C9H10 AB3C5D9E10 -61.14 3.06 -9.25 -0.78 0
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15920 455228 3 ON2C3H4 AB2C3D4 -60.69 2.64 -8.6 -0.05 0
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15921 455230 1 OSH4N4C6 ABC4D4E6 89.09 1.17 -9.88 -1.5 0
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15922 455261 1 O5C20H26 A5B20C26 -225.75 5.26 -8.9 -0.31 0
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15923 455262 1 O5C21H28 A5B21C28 -222.77 5.49 -8.88 -0.3 0
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15924 455291 1 NBr2O3C13H13 AB2C3D13E13 -104.49 5.86 -9.09 -0.62 0
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15925 455294 1 O11C34H38 A11B34C38 -442.2 7.6 -9.43 -1.28 0
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15926 455295 1 N5O6C31H49 A5B6C31D49 -280.3 7.69 -8.99 -0.12 0
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15927 455305 2 ClO5C23H25 AB5C23D25 -334.04 14.87 -8.89 -1.54 0
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15928 455313 1 O4H10C15 A4B10C15 -84.81 5.98 -8.91 -0.73 0
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15929 455469 1 ClON3H14C18 ABC3D14E18 76.01 2.45 -9.05 -0.9 0
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15930 455478 1 ClOSN3H12C16 ABCD3E12F16 82.25 1.02 -9.07 -1.15 0
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15931 455495 1 N3O5C28H43 A3B5C28D43 -244.86 3.23 -8.99 0.02 0
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15932 455524 1 O5C23H24 A5B23C24 -163.84 3.85 -8.6 -0.69 0
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15933 455601 1 PSN3O7C14H22 ABC3D7E14F22 -347.69 6.2 -9.23 -0.33 0
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15934 455602 1 PSN3O7C10H14 ABC3D7E10F14 -333.63 4.19 -9.79 -0.83 0
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15935 455624 2 NS2O7H10C14 AB2C7D10E14 -455.49 4.06 -9.61 -2.01 0
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15936 455679 1 N2O2C15H18 A2B2C15D18 -49.6 7.44 -9.72 -0.23 0
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15937 455686 1 N2O2C13H14 A2B2C13D14 -38.17 6.61 -9.4 -0.19 0
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15938 455696 2 NOC8H10 ABC8D10 -60.48 6.65 -9.34 -0.09 0
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15939 455701 1 O4C15H16 A4B15C16 -138.15 2.95 -9.35 -0.59 0
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15940 455702 1 O3C13H14 A3B13C14 -106.25 5.48 -9.18 -0.59 0
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15941 455714 1 N3O6C36H41 A3B6C36D41 -184.0 3.01 -9.28 -0.09 0
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15942 455715 1 N3O6C28H41 A3B6C28D41 -270.21 3.11 -9.54 0.09 0
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15943 455726 1 N2O2C25H42 A2B2C25D42 -125.16 3.69 -9.09 0.18 0
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15944 455803 1 PN3O8C19H24 AB3C8D19E24 -379.61 10.71 -9.76 -0.29 0
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15945 455813 1 ClO7H25C26 AB7C25D26 -268.56 4.87 -9.29 -1.1 0
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15946 455899 1 O9C36H50 A9B36C50 -431.59 3.46 -9.16 -0.98 0
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15947 455915 1 FN2O2C29H41 AB2C2D29E41 -131.63 4.28 -7.93 -0.48 0
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15948 456062 1 S2O5N6C38H56 A2B5C6D38E56 -240.67 7.04 -9.1 -0.33 0
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15949 456120 1 SN5O6H27C28 AB5C6D27E28 -135.76 7.2 -8.71 -1.98 0
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15950 456134 4 N2C4H5 A2B4C5 85.58 5.67 -8.17 -0.48 0
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15951 456186 1 ClN4H9C12 AB4C9D12 59.84 2.57 -8.62 -0.99 0
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15953 456227 1 SN5C16H17 AB5C16D17 73.43 3.85 -8.32 -0.35 0
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15954 456271 1 FO3N4C17H19 AB3C4D17E19 -113.52 13.63 -9.18 -1.08 0
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15955 456272 1 SN5H17C19 AB5C17D19 102.51 6.21 -8.73 -0.83 0
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15956 456383 1 BrN4H22C23 AB4C22D23 117.77 2.27 0.0 0.0 1
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15957 456469 1 N3O4C16H37 A3B4C16D37 -226.1 4.15 -9.06 0.26 0
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15959 456503 1 N10O18C55H90 A10B18C55D90 -871.36 8.55 -8.97 -0.52 0
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15960 456536 1 ClSO5N7C20H22 ABC5D7E20F22 -127.87 5.92 -9.31 -0.81 0
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15961 456546 1 SO6N7C20H23 AB6C7D20E23 -160.75 3.11 -8.74 -0.95 0
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15962 456552 1 N5O27C68H91 A5B27C68D91 -1081.28 7.85 -8.98 -1.64 0
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15963 456553 1 O17C47H64 A17B47C64 -683.15 7.62 -9.16 -0.91 0
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15964 456555 1 N5O27C67H89 A5B27C67D89 -1086.46 4.08 -9.18 -1.16 0
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15965 456591 1 N5O13C22H43 A5B13C22D43 -595.09 9.25 -9.29 0.33 0
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15966 456598 1 ON5C11H15 AB5C11D15 7.88 3.97 -8.86 -0.38 0
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15967 456602 1 SN5O5C31H41 AB5C5D31E41 -176.75 8.56 -9.39 -0.48 0
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15968 456606 2 N4C12H13 A4B12C13 122.44 0.48 -9.01 -0.53 0
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15969 456608 4 NOC5H6 ABC5D6 -46.12 3.86 -8.65 -0.27 0
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15970 456609 1 ClN3O3C24H26 AB3C3D24E26 -79.59 3.29 -8.78 -1.02 0
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15971 456623 1 SO2C26H44 AB2C26D44 -138.84 5.42 -8.34 0.89 0
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15972 456665 1 N3O3C11H13 A3B3C11D13 -77.73 3.03 -9.71 -0.99 0
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15973 456754 1 ClN2O2H11C14 AB2C2D11E14 -8.48 5.72 -8.93 -0.73 0
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15974 456841 1 Cl2N9O14C47H55 A2B9C14D47E55 -500.29 6.27 -9.06 -1.05 0
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15975 456861 1 SN6O14C48H82 AB6C14D48E82 -640.92 12.54 -8.58 -0.35 0
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15976 456862 1 NO13C33H47 AB13C33D47 -517.52 2.48 -9.01 -0.69 0
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15977 456971 1 Cl2N3C18H23 A2B3C18D23 22.86 2.71 -8.28 -0.84 0