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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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380926 134971526 1 FeO2C4H8 AB2C4D8 66.53 2.59 -7.19 1.05 0
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380927 134971527 1 PO5H29C31 AB5C29D31 -141.58 3.63 -9.14 0.11 0
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380928 134971528 1 O5C8H14 A5B8C14 -210.87 3.47 -10.04 0.72 0
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380929 134971529 1 OSN2H10C12 ABC2D10E12 53.62 2.68 -8.82 -0.99 1
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380930 134971530 1 O4N6C55H57 A4B6C55D57 79.28 3.48 0.0 0.0 0
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380931 134971531 1 O4N6C47H56 A4B6C47D56 -2.62 13.27 -7.61 -3.19 0
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380932 134971532 2 O3C8H11 A3B8C11 -272.36 2.65 -9.38 0.35 0
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380933 134971533 1 SiO7C19H30 AB7C19D30 -351.48 3.39 -9.04 0.04 0
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380934 134971534 3 OC4H6 AB4C6 -137.47 2.17 -9.73 0.02 0
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380935 134971539 1 NO2H19C20 AB2C19D20 -29.81 4.79 -9.35 -0.6 -2
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380936 134971540 2 NC8H11 AB8C11 119.79 6.14 -7.17 -1.01 0
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380937 134971543 1 C19H30 A19B30 27.71 1.84 -7.87 0.34 0
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380938 134971545 2 OC13H21 AB13C21 -127.8 2.35 -9.82 0.11 0
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380939 134971546 2 OC13H21 AB13C21 -118.25 2.87 -9.18 0.07 0
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380940 134971547 1 NP2O6C22H33 AB2C6D22E33 -357.49 1.05 -9.1 0.1 0
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380941 134971548 1 SO5C22H24 AB5C22D24 -176.56 1.87 -8.79 -0.75 0
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380942 134971549 1 NSF2H13C16 ABC2D13E16 -7.1 5.3 -9.01 -0.86 0
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380943 134971551 1 OSiS2C25H48 ABC2D25E48 -130.96 3.78 -8.56 0.41 0
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380944 134971552 1 O3C18H32 A3B18C32 -141.58 3.19 -9.77 1.66 0
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380945 134971553 1 BO2C20H37 AB2C20D37 -164.84 0.94 -9.22 0.83 0
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380946 134971554 1 NaO3C12H15 AB3C12D15 -166.84 5.42 -9.32 0.28 0
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380947 134971555 1 O5C8H14 A5B8C14 -238.84 3.93 -10.37 0.61 0
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380948 134971556 2 O3C11H20 A3B11C20 -325.61 3.0 -9.88 0.37 0
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380949 134971557 2 O3C11H21 A3B11C21 -336.05 3.6 -9.57 1.4 0
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380950 134971558 1 SiO6C31H62 AB6C31D62 -413.72 4.22 -8.7 1.18 0
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380951 134971560 1 OC7H12 AB7C12 -39.72 2.73 -9.95 0.41 0
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380952 134971562 1 PO2H23C30 AB2C23D30 29.78 5.23 -8.67 -0.13 0
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380953 134971563 1 NO2H19C20 AB2C19D20 -20.26 4.09 -8.66 -0.43 0
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380955 134971566 1 NOH23C25 ABC23D25 27.31 3.32 -8.97 0.01 0
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380956 134971567 1 NO2F3H18C23 AB2C3D18E23 -152.05 4.29 -9.51 -0.45 1
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380957 134971568 1 ClNOC27H27 ABCD27E27 20.08 2.45 0.0 0.0 2
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380958 134971569 1 ON2H20C21 AB2C20D21 70.08 1.32 -7.32 -0.32 1
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380959 134971570 1 ON2H19C21 AB2C19D21 55.73 2.4 0.0 0.0 1
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380960 134971571 1 NO2F3H19C23 AB2C3D19E23 -106.74 2.03 0.0 0.0 0
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380961 134971572 1 S2I3H5C9 A2B3C5D9 103.85 1.53 -9.13 -1.5 0
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380962 134971574 1 NO2C23H31 AB2C23D31 -59.55 2.16 -9.56 -0.4 0
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380963 134971575 1 O7C17H20 A7B17C20 -284.91 3.16 -10.28 -1.26 0
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380964 134971576 1 CuO9C19H24 AB9C19D24 -306.17 1.4 0.0 0.0 0
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380965 134971577 1 O7C17H20 A7B17C20 -280.55 2.62 -10.3 -1.38 0
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380966 134971578 1 SN2O3C26H36 AB2C3D26E36 -95.26 5.5 -8.44 -0.08 0
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380967 134971579 1 SO3C16H20 AB3C16D20 -96.98 3.17 -8.32 -0.06 0
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380968 134971580 1 NOSC19H21 ABCD19E21 32.98 4.73 -8.38 -0.11 0
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380969 134971581 1 SN2O2C28H32 AB2C2D28E32 -8.24 3.55 -8.44 -0.08 0
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380970 134971582 1 NSSiO2C18H33 ABCD2E18F33 -141.26 3.99 -8.43 -0.05 0
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380971 134971583 1 NSO3C18H25 ABC3D18E25 -115.34 4.21 -8.52 -0.19 0
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380972 134971586 1 NaO3C12H15 AB3C12D15 -130.9 21.09 -7.83 -0.58 0
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380973 134971587 1 O3C12H16 A3B12C16 -124.91 8.68 -10.04 -0.59 0
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380974 134971588 1 ClION2H10C15 ABCD2E10F15 53.68 2.76 -8.79 -1.36 0
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380976 134971592 2 SiO6C30H33 AB6C30D33 -469.1 4.3 -8.64 -0.67 0
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380977 134971593 2 SiO6C30H33 AB6C30D33 -475.75 3.22 -8.69 -0.71 0
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380978 134971594 1 SiO21H78C88 AB21C78D88 -658.15 6.03 -8.69 -0.7 0
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380979 134971596 1 O19H54C68 A19B54C68 -572.68 1.86 -9.81 -0.7 0
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380980 134971597 1 SiO3C22H32 AB3C22D32 -141.72 4.96 -9.11 0.06 0
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380981 134971598 1 PSN2C16H32 ABC2D16E32 -84.53 5.05 0.0 0.0 0
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380982 134971599 1 O4C11H12 A4B11C12 -150.31 1.32 -8.82 -0.35 0
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380984 134971601 1 NOC20H25 ABC20D25 -23.42 3.98 -9.19 -0.1 0
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380985 134971602 1 NO4C22H31 AB4C22D31 -149.24 5.83 -8.88 -0.15 0
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380986 134971603 1 OCl2N3H13C16 AB2C3D13E16 61.28 12.14 -8.46 -1.81 0
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380987 134971604 1 NO3C18H21 AB3C18D21 -74.91 3.75 -8.34 0.13 0
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380988 134971605 1 NOC18H21 ABC18D21 -19.57 4.2 -8.95 0.23 -2
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380989 134971606 1 NC16H17 AB16C17 136.35 2.9 -8.45 -0.43 0
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380990 134971608 1 NC13H15 AB13C15 60.97 2.79 -7.53 -0.2 0
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380991 134971609 1 NO5C12H15 AB5C12D15 -111.28 7.26 -10.21 -1.34 0
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380992 134971612 1 SO3C22H24 AB3C22D24 -71.28 6.03 -8.22 -0.02 0
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380993 134971613 1 NSO6C27H29 ABC6D27E29 -191.25 9.22 -8.01 -1.64 0
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380994 134971616 1 OSN4H8C10 ABC4D8E10 63.4 8.11 -9.45 -1.48 0
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380995 134971617 1 NaO4C12H17 AB4C12D17 -244.28 6.23 -9.24 0.27 0
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380996 134971618 2 O2C6H9 A2B6C9 -189.23 5.6 -10.15 -0.3 0
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380997 134971619 1 NO5C17H31 AB5C17D31 -253.48 1.67 -10.03 0.24 0
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380998 134971620 1 SiO7C39H58 AB7C39D58 -360.91 3.0 -8.89 0.19 0
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380999 134971621 1 O5H14C15 A5B14C15 -137.33 7.04 -9.8 -0.94 0
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381000 134971623 2 NO2H6C9 AB2C6D9 -36.92 4.92 -9.02 -2.06 0
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381001 134971624 1 ClISN2O3H12C20 ABCD2E3F12G20 11.59 3.86 -9.05 -1.49 0
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381002 134971625 1 ON5H19C26 AB5C19D26 150.19 7.65 -9.17 -1.3 0
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381003 134971626 1 NO2C14H21 AB2C14D21 -108.58 3.8 -8.91 -0.36 0
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381004 134971627 1 NSO5C16H23 ABC5D16E23 -200.52 7.46 -9.06 -0.2 0
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381005 134971628 1 NOF2H15C21 ABC2D15E21 -62.11 4.75 -9.23 -0.4 0
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381006 134971629 1 NO3H21C23 AB3C21D23 -41.59 6.06 -8.84 -0.32 0
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381007 134971631 1 NO3H21C23 AB3C21D23 -44.6 6.33 -8.59 -0.34 0
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381008 134971633 1 FNH18C21 ABC18D21 24.76 2.36 -8.35 -0.01 0
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381009 134971634 1 NF5H14C21 AB5C14D21 -144.38 3.17 -8.56 -1.06 0
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381010 134971635 1 NO2C23H23 AB2C23D23 -4.17 4.02 -8.12 0.02 0
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381011 134971636 1 FNH18C21 ABC18D21 26.16 1.71 -8.38 -0.18 0
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381013 134971638 1 O4C19H20 A4B19C20 -128.75 2.35 -9.59 -0.79 1
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381014 134971639 1 O4C19H23 A4B19C23 -137.15 2.04 0.0 0.0 0
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381015 134971640 1 O4C19H22 A4B19C22 -147.16 0.94 -9.58 0.12 0
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381016 134971641 1 SiO4C25H36 AB4C25D36 -214.81 2.37 -9.09 0.09 0
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381017 134971642 1 SiO4C25H34 AB4C25D34 -197.54 3.71 -8.62 -0.72 -2
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381018 134971643 1 INC16H20 ABC16D20 93.22 2.59 -8.79 -0.71 0
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381019 134971644 1 INC16H22 ABC16D22 81.11 2.35 -8.59 -0.59 0
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381020 134971645 1 SiO8C50H56 AB8C50D56 -254.63 6.22 -9.07 -0.16 0
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381021 134971646 1 SiO8C50H56 AB8C50D56 -262.22 3.27 -9.03 0.01 0
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381022 134971647 1 O4C27H28 A4B27C28 -76.68 3.16 -9.2 0.16 0
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381023 134971648 1 NSO4C25H31 ABC4D25E31 -132.71 3.06 -8.38 -0.05 0
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381024 134971649 1 NSO3C17H23 ABC3D17E23 -110.21 3.66 -8.35 -0.09 0
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381025 134971650 1 O3C19H26 A3B19C26 -122.35 2.21 -9.46 0.16 0
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381026 134971651 1 N2S2F3O3H17C19 A2B2C3D3E17F19 -125.98 6.09 -9.04 -1.88 1
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381027 134971652 1 SN2F3O5H10C11 AB2C3D5E10F11 -254.04 9.08 0.0 0.0 1
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381028 134971653 1 SN2O2C18H21 AB2C2D18E21 36.69 7.28 0.0 0.0 0
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381029 134971654 1 N2O2S2C17H18 A2B2C2D17E18 55.18 9.9 -9.05 -1.47 0