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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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396892 135029397 1 NOC17H17 ABC17D17 13.6 3.66 -8.22 0.05 0
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396893 135029398 1 NO4C19H23 AB4C19D23 -142.01 3.38 -8.41 0.11 0
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396894 135029399 2 ClNH7C8 ABC7D8 54.12 5.25 -8.31 -0.48 0
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396895 135029400 1 ClN2C18H21 AB2C18D21 48.38 3.4 -9.21 -0.76 1
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396896 135029402 1 N2C18H21 A2B18C21 64.22 1.68 0.0 0.0 0
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396897 135029403 1 BrNO3H10C12 ABC3D10E12 -73.47 2.59 -9.46 -1.53 0
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396898 135029404 1 NO2C24H27 AB2C24D27 7.48 3.56 -8.02 0.27 0
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396899 135029405 1 ON2C22H26 AB2C22D26 46.97 1.73 -8.26 -0.08 0
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396900 135029406 1 ClN2C19H27 AB2C19D27 30.18 2.53 -8.33 -0.05 0
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396901 135029407 1 OC19H20 AB19C20 3.81 1.61 -8.59 0.35 0
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396902 135029408 1 IOC7H11 ABC7D11 -24.02 2.94 -9.47 -0.65 0
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396903 135029409 1 ON3C14H17 AB3C14D17 37.09 3.19 -9.62 -0.58 0
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396904 135029410 1 NO2H13C14 AB2C13D14 -24.76 3.35 -9.19 -0.96 0
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396905 135029411 1 NSO2F3C11H12 ABC2D3E11F12 -201.37 4.35 -10.26 -0.65 0
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396906 135029412 1 IN2H21C24 AB2C21D24 108.12 3.86 -8.84 -0.65 0
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396907 135029413 1 N3H15C20 A3B15C20 131.56 4.14 -8.79 -0.84 0
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396908 135029414 1 N3H17C24 A3B17C24 147.26 3.97 -8.7 -1.07 0
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396909 135029415 1 NO4C25H29 AB4C25D29 -147.73 3.3 -8.85 -0.4 0
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396910 135029416 1 N3O6C20H35 A3B6C20D35 -322.59 5.6 -9.47 0.22 0
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396911 135029418 1 FN3O7C29H46 AB3C7D29E46 -430.11 2.69 -9.64 -0.02 0
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396912 135029421 2 O2H7C10 A2B7C10 -78.97 4.31 -9.78 -1.34 0
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396913 135029431 1 BSSiF3O6C11H16 ABCD3E6F11G16 -475.35 4.16 -9.18 -1.53 0
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396914 135029434 1 BNSSiF3O5C9H13 ABCDE3F5G9H13 -431.42 3.51 -9.85 -1.45 0
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396915 135029436 1 O3N5C26H35 A3B5C26D35 -21.25 8.0 -9.59 -0.92 0
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396916 135029437 1 O3N5C26H35 A3B5C26D35 -24.26 7.95 -9.04 -0.75 0
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396917 135029441 1 SO2N4H16C23 AB2C4D16E23 139.81 11.53 -9.05 -1.6 0
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396918 135029445 1 NO5C13H21 AB5C13D21 -240.75 2.19 -9.86 -0.02 0
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396919 135029457 1 O2N3H13C20 A2B3C13D20 60.67 9.12 -9.17 -1.54 0
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396920 135029459 1 ClON3H14C22 ABC3D14E22 78.77 10.4 -9.19 -1.54 0
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396921 135029460 1 O3N4H14C22 A3B4C14D22 83.57 11.48 -9.35 -1.71 0
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396922 135029461 1 BrON3H14C22 ABC3D14E22 90.85 10.42 -9.21 -1.56 0
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396923 135029462 1 ON3H19C24 AB3C19D24 70.11 10.13 -8.89 -1.3 1
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396926 135029472 1 NSO3H19C22 ABC3D19E22 -50.77 9.4 -9.55 -0.64 0
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396928 135029474 1 N2O4H18C19 A2B4C18D19 -131.62 2.62 -9.46 -1.03 0
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396929 135029476 1 ClN2O2H15C17 AB2C2D15E17 -58.86 4.11 -9.26 -0.5 0
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396930 135029477 2 NOH7C8 ABC7D8 -40.4 3.37 -9.17 -0.41 0
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396931 135029478 1 N3O4C18H25 A3B4C18D25 -194.8 4.3 -9.25 -0.48 0
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396932 135029479 1 N2O2F3H15C18 A2B2C3D15E18 -212.07 5.58 -9.36 -0.65 0
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396933 135029480 1 N2O3H16C18 A2B3C16D18 -82.03 3.24 -8.73 -0.25 0
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396934 135029481 1 ClON2H11C15 ABC2D11E15 27.35 2.39 -8.96 -1.12 0
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396935 135029482 1 NOSC18H19 ABCD18E19 24.49 1.21 -8.89 -0.39 0
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396936 135029483 1 ON3C14H19 AB3C14D19 28.18 2.6 -9.9 -0.53 0
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396937 135029484 1 ClNO2C16H18 ABC2D16E18 -87.54 3.93 -8.96 -0.69 0
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396938 135029485 2 NO3H14C15 AB3C14D15 -194.41 6.33 -9.05 -0.87 1
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396939 135029486 1 NPO4C26H39 ABC4D26E39 -212.68 15.26 0.0 0.0 0
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396940 135029487 1 NPO4C26H38 ABC4D26E38 -208.8 13.26 -7.57 -0.43 0
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396941 135029488 2 NOH5C8 ABC5D8 23.31 4.7 -9.32 -1.59 0
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396942 135029489 1 O2N3H13C15 A2B3C13D15 16.92 5.31 -9.36 -1.35 0
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396943 135029490 1 ON3C16H17 AB3C16D17 87.97 2.11 -8.37 -1.38 0
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396944 135029494 1 NSF3O3C4H8 ABC3D3E4F8 -281.61 3.29 -10.73 -1.07 0
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396945 135029495 1 O2C15H24 A2B15C24 -99.51 1.19 -9.57 0.93 0
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396946 135029496 1 OSiC24H42 ABC24D42 -121.01 1.71 -8.72 0.47 0
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396947 135029497 1 SN2O3H18C27 AB2C3D18E27 8.98 2.53 -8.85 -1.04 0
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396948 135029498 1 NOSH13C16 ABCD13E16 46.64 3.22 -8.85 -0.7 0
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396949 135029499 1 N2O3C19H20 A2B3C19D20 -64.96 5.26 -8.5 -0.31 0
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396950 135029500 1 ON2C18H18 AB2C18D18 7.35 5.83 -8.46 -0.41 0
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396951 135029501 1 FN3O7H16C24 AB3C7D16E24 -114.75 7.48 -9.04 -2.1 0
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396952 135029502 1 OH18C26 AB18C26 54.67 3.69 -9.2 -0.58 0
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396954 135029505 1 NO2C17H17 AB2C17D17 -17.4 2.44 -8.81 -0.02 0
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396955 135029508 1 C13H22 A13B22 -5.56 0.2 -10.22 3.38 0
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396957 135029510 1 N2O4H16C19 A2B4C16D19 -109.22 4.43 -9.59 -1.16 0
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396958 135029511 1 N2O5H14C17 A2B5C14D17 -137.52 4.54 -9.54 -1.53 0
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396959 135029512 2 O2H6C7 A2B6C7 -105.78 4.72 -9.48 -1.19 0
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396960 135029513 1 SN2O2H20C26 AB2C2D20E26 46.73 4.44 -8.68 -0.67 0
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396961 135029514 1 NO4C22H35 AB4C22D35 -178.63 3.0 -8.77 1.92 0
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396964 135029519 1 ClOC14H17 ABC14D17 -49.4 2.13 -10.05 -0.66 0
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396965 135029520 1 ClO2C8H9 AB2C8D9 -35.62 1.41 -10.43 -0.81 1
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396966 135029521 1 PN2O6C38H54 AB2C6D38E54 -304.42 6.33 0.0 0.0 0
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396968 135029523 1 NO5C23H33 AB5C23D33 -257.13 1.33 -8.65 0.07 0
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396969 135029524 1 SSiF3O6C16H21 ABC3D6E16F21 -401.42 3.24 -9.17 -1.51 0
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396970 135029525 1 BKSSiO4F6C11H14 ABCDE4F6G11H14 -676.39 7.1 -8.83 -1.94 -1
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396971 135029526 1 BSSiO4F6C11H14 ABCD4E6F11G14 -546.88 14.31 0.0 0.0 0
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396972 135029527 1 O2C17H20 A2B17C20 -60.16 4.56 -8.37 0.1 0
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396973 135029528 1 O3N5C23H29 A3B5C23D29 -24.35 3.96 -9.27 -0.95 0
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396974 135029529 1 O3N5C23H29 A3B5C23D29 -19.5 10.37 -9.67 -1.02 0
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396975 135029530 1 O4N6C25H34 A4B6C25D34 -35.86 7.5 -9.55 -0.89 0
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396976 135029531 1 N2O3C11H14 A2B3C11D14 3.37 6.99 -9.51 -1.25 0
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396977 135029532 2 ON2H8C9 AB2C8D9 52.76 3.16 -8.4 -1.02 0
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396978 135029533 2 NOH8C9 ABC8D9 -22.87 4.25 -8.24 -0.69 0
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396979 135029534 1 NOSH15C17 ABCD15E17 36.11 3.25 -8.79 -0.61 0
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396980 135029538 1 NOSH15C17 ABCD15E17 36.85 2.71 -8.81 -0.63 0
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396981 135029539 1 NOSH15C17 ABCD15E17 37.34 3.71 -8.84 -0.64 0
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396982 135029540 1 SO2C18H20 AB2C18D20 -56.14 2.29 -8.88 -0.13 0
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396983 135029541 1 SO2C18H20 AB2C18D20 -55.25 1.17 -8.9 -0.15 0
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396984 135029542 1 FSO2C17H17 ABC2D17E17 -94.22 2.45 -8.96 -0.32 0
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396985 135029543 1 ClSO2C17H17 ABC2D17E17 -56.66 2.68 -8.98 -0.41 0
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396986 135029544 1 ClSO2C17H17 ABC2D17E17 -57.07 2.21 -8.98 -0.38 0
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396987 135029545 1 SO3C18H20 AB3C18D20 -86.45 1.35 -8.71 -0.12 0
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396988 135029549 1 SO4C20H22 AB4C20D22 -140.31 3.89 -9.03 -0.74 0
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396989 135029552 1 NSO2H19C20 ABC2D19E20 -15.56 3.69 -8.78 -0.86 0
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396990 135029553 1 SO2H20C21 AB2C20D21 -31.12 0.61 -8.88 -0.56 0
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396991 135029556 1 O3N5C15H19 A3B5C15D19 -16.04 7.01 -9.22 -0.93 0
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396992 135029557 1 ON5C14H17 AB5C14D17 80.58 7.91 -9.02 -0.76 0
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396993 135029558 1 NOC15H17 ABC15D17 -14.87 3.38 -9.34 0.19 0
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396994 135029561 1 F3N5O7H24C33 A3B5C7D24E33 -137.34 8.42 -9.58 -2.52 0
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396995 135029563 1 OF3N3H18C19 AB3C3D18E19 -119.11 4.0 -8.93 -0.55 0
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396996 135029564 1 NOC14H23 ABC14D23 -33.04 5.58 -9.82 -0.12 0
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396997 135029566 1 N3O4C17H23 A3B4C17D23 -91.3 6.97 -8.87 -0.09 0
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396998 135029568 1 N2O6C33H38 A2B6C33D38 -143.47 4.81 -9.43 -0.56 0
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396999 135029570 1 NSO2C10H17 ABC2D10E17 -111.57 4.64 -8.88 0.15 0