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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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150282 53789970 1 N3O7C28H35 A3B7C28D35 -293.6 3.07 -9.14 -0.52 0
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150283 53789971 1 ClN2O4C21H21 AB2C4D21E21 -92.55 3.1 -8.9 -0.6 0
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150284 53789972 1 O3C9H16 A3B9C16 -170.78 3.11 -10.55 0.76 0
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150285 53789973 1 ON3C10H13 AB3C10D13 -6.07 2.02 -9.51 -0.22 0
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150286 53789974 1 ClF2C29H31 AB2C29D31 -86.58 4.48 -8.97 -0.29 1
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150287 53789975 1 N4C23H25 A4B23C25 153.04 5.06 0.0 0.0 0
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150288 53789976 2 NC3H7 AB3C7 -16.58 2.45 -8.96 2.85 0
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150289 53789977 1 N4O5C12H16 A4B5C12D16 -102.72 10.44 -8.54 -0.65 0
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150290 53789978 1 SO3C22H24 AB3C22D24 -94.41 3.17 -9.2 -0.69 0
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150291 53789979 4 OC4H4 AB4C4 -104.2 2.23 -8.21 -0.12 0
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150292 53789980 1 FON5C23H26 ABC5D23E26 32.84 1.15 -8.92 -0.3 0
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150293 53789981 1 N3O7C37H59 A3B7C37D59 -377.32 3.76 -9.25 -0.67 0
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150294 53789982 1 SN2O2C23H28 AB2C2D23E28 -35.25 9.79 -8.25 -0.71 0
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150295 53789983 1 N2O5C16H20 A2B5C16D20 -193.64 2.6 -10.46 -0.61 0
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150296 53789984 2 OC6H9 AB6C9 -87.91 2.03 -9.75 -0.35 0
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150297 53789985 1 SO3C23H32 AB3C23D32 -138.17 3.72 -8.5 0.17 0
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150298 53789986 1 OH10C11 AB10C11 100.34 0.48 -8.34 -0.13 0
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150299 53789987 1 N2O3H16C17 A2B3C16D17 -18.41 2.48 -9.14 -1.06 0
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150300 53789988 1 FN4O4C34H43 AB4C4D34E43 -184.48 3.96 -8.7 -0.21 0
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150301 53789989 1 ON2C8H14 AB2C8D14 -32.95 3.79 -9.37 0.85 0
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150302 53789990 1 ClNOF3H13C18 ABCD3E13F18 -131.93 4.95 -10.24 -1.34 0
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150303 53789991 2 OC25H41 AB25C41 -148.0 1.9 -8.7 0.91 0
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150304 53789992 1 SN3O6C22H29 AB3C6D22E29 -232.69 3.29 -9.28 -0.21 0
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150305 53789993 1 IO8N9C37H50 AB8C9D37E50 -280.76 15.03 -9.47 -1.35 0
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150306 53789994 2 O2C7H8 A2B7C8 -169.42 3.43 -10.26 -1.42 0
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150307 53789995 1 NO3C7H13 AB3C7D13 -147.41 2.58 -10.51 -0.03 0
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150308 53789996 1 BrO6H13C17 AB6C13D17 -148.42 6.08 -9.58 -1.6 0
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150309 53789997 1 OF4N9S10Br11Cl24H92C101 AB4C9D10E11F24G92H101 -87.6 4.54 -8.27 -1.1 0
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150310 53789998 2 NC7H11 AB7C11 20.1 6.02 -9.94 0.71 0
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150311 53789999 1 N5H19C23 A5B19C23 126.58 1.43 -8.55 -0.56 0
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150312 53790000 1 NO2H19C22 AB2C19D22 9.39 4.5 -8.65 -0.87 0
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150313 53790001 1 BrON3C22H26 ABC3D22E26 46.28 3.7 -8.6 -0.42 0
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150314 53790002 1 SO4N5C24H27 AB4C5D24E27 -61.91 8.91 -8.31 -0.88 0
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150315 53790003 1 N2O3C19H36 A2B3C19D36 -190.11 3.98 -9.2 0.39 0
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150316 53790004 1 O2N3C27H29 A2B3C27D29 -34.1 3.19 -9.19 -0.66 0
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150317 53790005 1 O5C19H24 A5B19C24 -169.63 3.97 -8.77 0.2 0
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150318 53790006 1 SO3C19H30 AB3C19D30 -164.24 6.41 -9.91 -0.63 0
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150319 53790007 1 OCl2N4C26H28 AB2C4D26E28 6.81 5.11 -8.7 -0.62 0
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150320 53790008 1 NOC9H19 ABC9D19 -58.86 1.22 -8.64 2.06 0
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150321 53790009 2 FNC7H11 ABC7D11 -98.26 3.26 -9.22 -0.44 0
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150322 53790010 1 N3O3C16H29 A3B3C16D29 -181.24 5.11 -9.46 0.45 0
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150323 53790011 1 BrN2O2C19H27 AB2C2D19E27 -67.37 5.79 -8.79 -0.45 1
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150324 53790012 1 N2O3H11C15 A2B3C11D15 -57.03 8.47 0.0 0.0 0
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150325 53790013 1 N2O2C7H8 A2B2C7D8 11.82 4.74 -9.39 -0.72 0
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150326 53790014 1 SH5N5C8 AB5C5D8 137.04 7.28 -9.28 -1.58 0
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150327 53790015 1 ClC10H19 AB10C19 -36.91 2.19 -9.71 0.69 0
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150328 53790016 1 ClO2N3C13H20 AB2C3D13E20 -28.13 4.83 -9.04 -0.87 0
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150329 53790017 1 NC9H19 AB9C19 -29.48 1.41 -8.54 2.89 0
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150330 53790018 1 ON2C27H36 AB2C27D36 -0.91 5.86 -7.82 -0.05 0
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150331 53790019 1 N2O5C52H56 A2B5C52D56 -141.58 5.6 -7.86 -0.26 0