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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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298939 117664412 1 FC15H15 AB15C15 -20.39 1.82 -9.23 0.05 0
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298940 117664415 1 O2N5C15H19 A2B5C15D19 -18.55 2.55 -8.6 -0.14 0
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298941 117664416 1 ON4C25H26 AB4C25D26 40.37 4.13 -8.54 -0.66 0
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298942 117664417 1 N3O9C42H59 A3B9C42D59 -346.49 7.13 -8.86 0.4 0
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298943 117664419 2 NOC5H9 ABC5D9 -106.89 5.14 -8.97 0.96 0
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298944 117664420 1 N3O9C43H57 A3B9C43D57 -341.31 6.83 -8.9 0.26 0
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298945 117664421 1 ON4H22C23 AB4C22D23 58.01 5.1 -8.63 -0.68 1
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298946 117664422 1 N6C20H21 A6B20C21 142.37 8.06 0.0 0.0 0
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298947 117664424 1 ClO2C20H23 AB2C20D23 -62.96 3.64 -9.22 -0.18 0
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298948 117664426 1 SN2O3C25H26 AB2C3D25E26 -44.01 2.91 -8.74 -1.03 0
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298949 117664429 1 NO3C9H13 AB3C9D13 -142.55 6.25 -10.1 0.39 0
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298950 117664431 1 ON5C16H21 AB5C16D21 -10.31 2.45 -8.53 -0.08 0
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298951 117664432 1 O2N5C18H25 A2B5C18D25 -48.01 7.41 -8.5 -0.22 0
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298952 117664433 1 O4C19H20 A4B19C20 -116.46 2.94 -9.18 -0.26 0
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298953 117664440 1 O4C23H26 A4B23C26 -130.98 5.24 -9.05 -0.64 0
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298954 117664444 1 O4C19H20 A4B19C20 -116.98 3.55 -9.15 0.06 0
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298955 117664446 1 NO5C22H25 AB5C22D25 -144.79 5.88 -9.12 -0.64 0
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298956 117664449 1 NO5C22H25 AB5C22D25 -153.2 4.52 -9.14 -0.78 0
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298957 117664452 1 NO4C25H31 AB4C25D31 -114.49 5.66 -9.53 -0.65 0
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298958 117664453 2 O2C11H13 A2B11C13 -145.64 4.15 -9.12 -0.52 0
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298959 117664454 1 ClN5C14H20 AB5C14D20 14.98 3.91 -8.94 -0.58 0
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298960 117664455 1 NO4C21H23 AB4C21D23 -111.17 3.59 -9.22 -0.93 0
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298961 117664457 1 ON5C17H25 AB5C17D25 7.46 3.49 -8.36 -0.1 0
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298962 117664489 2 ON2C13H14 AB2C13D14 2.16 2.06 -8.55 -0.79 0
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298963 117664493 1 N3O5C15H21 A3B5C15D21 -164.45 2.1 -9.72 -0.76 0
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298964 117664498 1 NO5C18H19 AB5C18D19 -140.48 3.42 -9.16 -0.58 0
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298965 117664520 1 O3N5C28H29 A3B5C28D29 -1.18 5.62 -8.49 -0.8 0
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298966 117664556 1 O2N5C17H25 A2B5C17D25 -6.17 4.13 -7.79 -0.38 0
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298967 117664566 1 O4C23H26 A4B23C26 -126.04 4.96 -9.07 -0.52 0
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298968 117664595 1 NO4H15C16 AB4C15D16 -108.63 1.59 -9.37 -0.82 0
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298969 117664640 1 NO5C18H19 AB5C18D19 -137.87 6.37 -9.19 -0.64 0
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298970 117664681 1 O2S2N6C9H14 A2B2C6D9E14 -31.27 4.62 -9.32 -0.95 0
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298971 117664788 1 ON5C19H25 AB5C19D25 3.54 4.95 -8.37 0.08 0
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298972 117664807 1 NO4C20H41 AB4C20D41 -261.49 3.97 -10.14 0.65 0
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298973 117664810 1 P3C29H53 A3B29C53 -112.34 2.42 -8.45 2.88 0
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298974 117664837 1 KC4H6O8 AB4C6D8 -377.48 13.6 0.0 0.0 0
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298975 117664915 1 Cl2N2S2O5C20H24 A2B2C2D5E20F24 -187.64 2.91 -9.18 -0.45 0
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298976 117664944 1 OSN4C25H30 ABC4D25E30 17.89 2.96 -8.91 -1.01 0
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298977 117664945 1 O2N3C19H29 A2B3C19D29 -92.59 2.27 -9.14 0.26 0
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298978 117664948 1 SN3O4C23H29 AB3C4D23E29 -98.45 5.15 -8.43 -0.02 0
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298979 117664949 1 NO2C15H23 AB2C15D23 -86.28 2.93 -8.62 0.23 0
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298980 117664958 1 BrSO2N4C21H29 ABC2D4E21F29 -66.71 2.03 -8.94 -1.05 0
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298981 117664993 1 SO3N5C32H35 AB3C5D32E35 -45.68 6.61 -9.07 -1.59 0
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298982 117664995 1 ClO4N5H22C23 AB4C5D22E23 -89.81 4.67 -8.74 -1.05 0
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298983 117665014 1 N3O4C29H31 A3B4C29D31 -78.22 7.16 -8.76 -0.67 0
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298984 117665370 1 NPO2H38C41 ABC2D38E41 -1.12 1.62 -8.35 -0.7 0
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298985 117665373 1 BrOC12H21 ABC12D21 -88.18 3.23 -9.92 -0.14 0
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298986 117665378 1 F2O3N6C25H34 A2B3C6D25E34 -156.86 1.47 -8.41 -0.48 0
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298987 117665404 1 BrSO11N36C70H125 ABC11D36E70F125 -411.22 19.88 -8.85 -2.06 0
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298988 117665414 1 I4O12N34C71H124 A4B12C34D71E124 -406.86 10.13 -8.74 -1.84 0
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298989 117665417 1 O12N33C75H131 A12B33C75D131 -497.49 8.32 -8.62 -0.19 0
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298990 117665701 1 FN3O3C21H22 AB3C3D21E22 -57.02 3.26 -9.1 -0.47 0
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298991 117665706 2 FNOH10C11 ABCD10E11 -87.93 4.82 -9.04 -0.36 0
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298992 117665731 2 FNOH10C11 ABCD10E11 -88.1 4.48 -8.99 -0.38 0
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298993 117665751 1 ClFNO2H13C20 ABCD2E13F20 -36.04 4.32 -9.12 -0.94 0
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298994 117665755 1 ClN3O3H18C20 AB3C3D18E20 -23.0 4.37 -8.99 -0.6 0
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298995 117665848 1 N2O3H20C21 A2B3C20D21 -21.29 4.25 -8.7 0.0 0
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298996 117665909 1 NC16H17 AB16C17 37.13 1.85 -8.39 -0.28 0
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298997 117665921 1 OSN6H28C30 ABC6D28E30 91.83 4.39 -8.71 -1.16 0
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298998 117665964 1 FSN2O2C22H23 ABC2D2E22F23 -53.03 2.08 -8.91 -0.39 0
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298999 117666033 1 N2O2H20C21 A2B2C20D21 6.9 2.39 -8.86 -0.22 0
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299000 117666149 1 NO2H7C9 AB2C7D9 6.72 0.37 -9.58 -0.82 0
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299001 117666234 1 ON7C20H25 AB7C20D25 43.05 7.74 -8.43 -0.46 0
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299002 117666264 1 ClFON2C22H28 ABCD2E22F28 -108.4 3.64 -8.9 -0.77 0
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299003 117666285 1 ON7C21H27 AB7C21D27 43.22 4.27 -8.32 -0.38 0
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299004 117667428 1 PSN2O10C36H71 ABC2D10E36F71 -613.51 0.89 -8.88 0.32 0
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299005 117667445 2 ON2H5C6 AB2C5D6 -12.75 3.01 -9.53 -1.04 0
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299006 117667446 1 ClS2N4F6O6C34H35 AB2C4D6E6F34G35 -513.62 8.08 -9.53 -1.47 0
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299007 117667467 1 ClO3N5C21H24 AB3C5D21E24 -91.45 4.44 -9.1 -0.92 0
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299008 117667468 1 O4C49H100 A4B49C100 -410.24 5.46 -10.19 1.33 0
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299009 117667470 1 ON8C30H40 AB8C30D40 27.95 2.86 -8.13 -0.89 0
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299010 117667471 1 ClS2N3O5F6H26C29 AB2C3D5E6F26G29 -440.06 4.09 -9.54 -1.39 0
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299011 117667487 1 O3N5C23H23 A3B5C23D23 -52.41 1.76 -8.92 -1.02 0
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299012 117667496 1 O2N5C19H23 A2B5C19D23 -35.41 4.57 -8.89 -0.85 0
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299013 117667537 1 N4O4H22C27 A4B4C22D27 -52.4 7.51 -8.78 -0.87 0