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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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385956 134980394 2 O2C13H19 A2B13C19 -181.26 4.22 -9.45 -0.52 0
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385957 134980400 1 O3C10H14 A3B10C14 -125.6 4.22 -10.01 0.65 0
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385958 134980401 1 O2H12C13 A2B12C13 -32.72 2.12 -9.06 -0.32 0
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385961 134980405 3 FOC4H5 ABC4D5 -277.91 5.07 -10.71 0.05 0
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385962 134980406 1 NO3C15H17 AB3C15D17 2.34 4.3 -9.51 -0.43 0
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385963 134980407 1 O2C15H18 A2B15C18 -62.54 2.07 -9.56 -0.01 0
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385964 134980417 1 SN2O8C19H28 AB2C8D19E28 -290.17 6.23 -9.31 -0.8 0
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385965 134980418 1 NO3C19H23 AB3C19D23 -113.16 3.45 -8.79 -0.09 0
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385966 134980422 1 NSiO4C14H27 ABC4D14E27 -183.23 3.17 -8.89 -0.62 0
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385967 134980424 1 OSiN4C13H14 ABC4D13E14 53.12 6.28 -10.23 -0.41 0
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385968 134980425 2 OC9H12 AB9C12 -55.96 1.77 -9.37 0.32 0
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385969 134980431 1 O2C23H28 A2B23C28 -34.05 3.49 -9.24 -0.76 -1
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385971 134980439 1 O5H16C19 A5B16C19 -130.97 5.12 -10.23 -1.42 0
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385972 134980443 1 O3C16H22 A3B16C22 -119.41 2.02 -9.34 0.36 0
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385973 134980444 1 PSi2N4O11C37H63 AB2C4D11E37F63 -655.54 9.08 -8.84 -0.62 0
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385974 134980448 1 C11H14 A11B14 72.54 0.31 -9.95 2.12 0
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385975 134980449 1 O2C17H26 A2B17C26 -103.95 0.7 -9.35 0.33 0
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385976 134980451 2 C8H11 A8B11 -0.45 0.61 -9.27 0.46 0
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385977 134980454 1 O2C27H48 A2B27C48 -186.09 3.52 -10.04 2.54 0
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385978 134980455 1 SN3O3C21H25 AB3C3D21E25 -41.79 6.12 -9.18 -0.93 0
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385979 134980458 3 OC10H16 AB10C16 -195.72 2.81 -9.02 0.95 0
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385980 134980460 1 C19H36 A19B36 -52.81 0.48 -9.45 1.25 0
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385981 134980465 6 OC2H3 AB2C3 -262.02 3.96 -10.34 0.24 0
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385983 134980467 1 O3C16H26 A3B16C26 -153.11 1.97 -9.09 0.35 0
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385984 134980470 1 ClN5C26H42 AB5C26D42 9.29 5.82 -8.41 -0.76 0
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385985 134980471 1 N5C26H41 A5B26C41 26.42 5.66 -8.39 -0.08 0
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385986 134980472 1 SO4C22H32 AB4C22D32 -204.61 3.32 -8.19 0.34 0
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385987 134980474 2 H12C13 A12B13 87.63 0.92 -9.03 0.28 0
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385988 134980475 2 H12C13 A12B13 96.26 0.8 -9.09 0.24 0
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385989 134980479 1 S2O7C21H22 A2B7C21D22 -233.45 12.47 -10.15 -0.94 0
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385990 134980481 1 C21H26 A21B26 18.17 0.23 -8.74 0.53 0
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385991 134980482 2 H12C13 A12B13 87.92 0.77 -9.08 0.3 0
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385992 134980483 1 H22C25 A22B25 94.43 0.51 -8.93 0.14 0
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385994 134980487 1 NH17C19 AB17C19 95.74 3.16 -9.35 0.03 0
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385995 134980489 2 OC5H9 AB5C9 -82.76 2.03 -8.74 0.47 0
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385996 134980490 1 O2Si2C27H54 A2B2C27D54 -236.8 1.07 -8.77 0.31 0
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385997 134980492 4 C5H6 A5B6 53.12 0.91 -9.08 0.16 0
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385998 134980495 1 NSO2C21H27 ABC2D21E27 -55.21 6.24 -8.54 -0.51 0
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385999 134980497 1 O2C11H16 A2B11C16 -84.31 5.96 -9.58 -0.35 0
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386000 134980500 1 OC19H24 AB19C24 -9.24 3.38 -8.83 -0.04 0
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386003 134980503 1 H22C25 A22B25 100.83 0.64 -9.11 0.28 0
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386004 134980504 1 O4C15H22 A4B15C22 -183.66 3.0 -9.48 0.46 0
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386005 134980506 1 BrSiO2C16H29 ABC2D16E29 -152.47 2.27 -9.0 -0.89 0
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386006 134980510 1 NOC12H19 ABC12D19 -45.29 3.7 -8.84 1.06 0
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386007 134980511 2 NC10H12 AB10C12 65.24 5.05 -9.58 0.12 0
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386009 134980513 1 O2C17H22 A2B17C22 -41.4 3.12 -9.22 0.53 0
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386010 134980526 1 NSiWO7C27H35 ABCD7E27F35 -111.85 5.11 -6.81 -0.69 0
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386011 134980527 1 NSiWO3C23H35 ABCD3E23F35 -48.71 5.28 -6.73 -0.66 0
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386012 134980532 1 ClOC9H13 ABC9D13 -55.33 3.74 -9.56 0.24 0
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386013 134980535 1 OC18H20 AB18C20 4.89 1.5 -8.62 0.28 0
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386014 134980536 2 OH12C14 AB12C14 35.36 3.07 -8.7 -0.54 0
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386015 134980537 1 O2C19H20 A2B19C20 -26.41 1.7 -9.32 -0.73 0
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386016 134980540 1 NO6C19H21 AB6C19D21 -219.29 6.66 -9.7 -0.2 0
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386017 134980541 1 NO6C19H21 AB6C19D21 -218.21 4.44 -9.77 -0.19 0
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386019 134980545 1 O4C13H16 A4B13C16 -131.44 4.61 -9.65 -1.2 0
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386020 134980548 1 NO4C21H33 AB4C21D33 -197.55 3.33 -9.68 0.07 0
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386021 134980553 1 SiO2C11H20 AB2C11D20 -114.98 3.69 -8.6 0.43 0
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386022 134980560 1 LiO2H13C15 AB2C13D15 -89.68 4.86 -8.38 -0.01 0
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386023 134980566 1 O3C13H22 A3B13C22 -140.0 2.86 -9.44 1.18 0
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386024 134980567 1 SiO3C22H46 AB3C22D46 -269.0 3.06 -9.07 0.8 0
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386025 134980569 1 O4H32C37 A4B32C37 -35.42 2.99 -8.48 -0.14 0
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386026 134980572 1 H20C23 A20B23 90.1 0.42 -9.17 0.35 0
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386027 134980575 1 SiO2C23H40 AB2C23D40 -153.91 2.68 -8.76 0.24 0
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386028 134980576 1 SiO3C24H40 AB3C24D40 -198.84 3.04 -9.26 -0.6 0
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386029 134980577 1 N2C17H24 A2B17C24 62.86 2.39 -8.44 0.32 0
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386030 134980578 2 OSH10C11 ABC10D11 6.0 6.51 -8.5 -0.55 0
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386031 134980580 1 ClOC11H21 ABC11D21 -87.0 3.51 -9.64 0.97 0
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386032 134980581 1 OSiC27H30 ABC27D30 44.12 1.98 -9.15 0.17 0
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386034 134980583 1 AlC17H27 AB17C27 -30.85 1.18 -8.85 0.49 0
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386035 134980588 1 NC12H25 AB12C25 -27.55 2.16 -8.57 1.4 0
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386036 134980590 4 C3H4 A3B4 13.98 0.56 -8.86 0.55 0
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386037 134980593 2 C7H10 A7B10 101.84 1.3 -6.36 -1.13 0
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386038 134980594 1 C13H14 A13B14 48.12 0.53 -9.28 0.39 0
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386039 134980596 1 SO4C19H24 AB4C19D24 -160.91 2.79 -8.51 -0.04 0
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386040 134980597 1 PO7C14H25 AB7C14D25 -383.57 1.22 -10.71 0.45 0
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386041 134980599 4 C3H4 A3B4 39.47 0.54 -9.68 1.29 0
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386042 134980601 2 H16C21 A16B21 184.25 0.11 -9.18 0.21 0
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386043 134980603 1 O4C23H32 A4B23C32 -176.21 3.72 -8.96 0.33 0
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386044 134980604 1 O3C14H20 A3B14C20 -131.04 1.86 -10.01 -0.14 0
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386045 134980605 1 OC12H18 AB12C18 -28.97 1.45 -8.83 0.7 0
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386046 134980608 1 O3C22H30 A3B22C30 -84.72 1.59 -8.37 0.4 0
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386048 134980615 1 NOC24H43 ABC24D43 -97.94 3.8 -9.12 -0.07 0
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386049 134980616 1 O2C13H22 A2B13C22 -116.37 1.06 -8.69 1.74 0
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386050 134980619 10 CH2 AB2 -34.51 0.07 -9.52 1.48 0
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386051 134980623 1 SF2O2H12C13 AB2C2D12E13 -114.06 6.46 -10.3 -0.73 0
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386052 134980634 1 WO8C16H16 AB8C16D16 -73.29 0.65 -6.81 0.01 0
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386053 134980637 1 WO3C11H16 AB3C11D16 -4.33 2.62 -6.87 -0.08 0
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386054 134980649 1 NO4C18H23 AB4C18D23 -162.08 3.64 -8.86 -0.39 0
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386055 134980650 1 BrOC9H11 ABC9D11 -17.39 2.59 -10.11 -0.66 0
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386056 134980651 2 OC5H8 AB5C8 -84.33 1.81 -9.85 0.72 0
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386060 134980670 1 OSiC12H22 ABC12D22 -83.6 2.4 -9.45 0.87 0
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386061 134980671 1 O2C17H22 A2B17C22 -79.97 2.59 -9.26 -0.56 0
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386062 134980672 2 OC9H13 AB9C13 -93.93 1.72 -9.35 0.4 0
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386064 134980676 1 C11H16 A11B16 29.69 0.95 -9.16 0.26 0
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386065 134980678 2 C7H11 A7B11 73.07 0.49 -8.55 1.72 0
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386066 134980679 1 SN2O11C37H46 AB2C11D37E46 -451.23 6.75 -9.51 -0.69 0
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386067 134980681 1 OC20H34 AB20C34 -85.58 2.32 -9.2 1.32 0
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386068 134980682 2 C10H17 A10B17 -45.81 1.5 -9.11 1.48 -1
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386070 134980696 4 C3H5 A3B5 7.22 0.0 -10.31 2.61 0
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386071 134980700 1 OC13H18 AB13C18 -53.4 1.49 -9.4 0.34 -1