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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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159945 57299211 1 N5O5C17H21 A5B5C17D21 -111.04 2.8 -8.93 -0.72 0
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159946 57299212 1 N4O5C38H40 A4B5C38D40 -145.19 9.05 -8.66 -0.57 0
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159947 57299213 1 PO2C42H63 AB2C42D63 -137.78 5.81 -8.29 0.02 0
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159948 57299214 2 O2C5H11 A2B5C11 -197.41 0.6 -9.86 1.51 1
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159949 57299215 1 S2N4O8H25C28 A2B4C8D25E28 -216.11 7.02 0.0 0.0 0
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159950 57299216 2 N2O2C14H17 A2B2C14D17 -103.5 5.79 -9.51 -1.18 0
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159951 57299242 1 ClNOC5H10 ABCD5E10 -79.1 4.25 -10.36 0.29 0
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159952 57299325 2 N2O3C14H15 A2B3C14D15 -206.7 6.84 -8.79 -0.63 0
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159953 57299374 1 O4N5C39H47 A4B5C39D47 -101.74 4.16 -8.76 -0.42 0
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159954 57299395 1 INO2C30H32 ABC2D30E32 -10.43 1.25 -8.83 -1.21 0
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159955 57299399 1 SN3O8C26H37 AB3C8D26E37 -300.86 11.47 -8.84 -1.13 0
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159956 57299401 1 OSN2C9H12 ABC2D9E12 -19.25 0.54 -9.26 -0.55 0
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159957 57304177 2 NO4C11H19 AB4C11D19 -389.7 6.58 -10.04 -0.3 0
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159958 57304178 1 OSN3H11C17 ABC3D11E17 80.5 6.36 -8.98 -1.89 0
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159959 57304179 1 N2O3C5H10 A2B3C5D10 -144.97 4.53 -10.08 1.03 0
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159960 57304180 1 SN2O2C14H16 AB2C2D14E16 -33.22 4.22 -8.76 -0.15 0
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159961 57304192 1 NO2C21H33 AB2C21D33 -97.62 6.32 -8.75 0.08 0
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159962 57304194 1 N3O5C13H19 A3B5C13D19 -228.95 6.32 -9.62 -0.48 0
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159963 57304196 1 N2O3C20H28 A2B3C20D28 -103.92 4.24 -8.2 -0.33 -1
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159964 57304198 1 SO3F6H9C15 AB3C6D9E15 -365.74 3.9 0.0 0.0 0
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159965 57304206 1 N2O3C16H20 A2B3C16D20 -79.25 2.62 -8.41 0.29 0
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159966 57304211 1 ON3C21H23 AB3C21D23 48.03 3.16 -8.79 -0.36 0
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159967 57304219 1 NSO3C6H9 ABC3D6E9 -104.71 1.74 -9.83 -1.03 0
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159968 57304220 1 BrC10H13 AB10C13 64.18 1.78 -10.14 0.05 0
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159969 57304224 1 ClS2N8O13C24H25 AB2C8D13E24F25 -425.56 9.32 -8.92 -1.37 0
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159970 57304230 1 N2S2O3C18H22 A2B2C3D18E22 -57.8 4.27 -8.73 -0.55 0
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159971 57304233 1 S2N4O4H18C25 A2B4C4D18E25 21.47 10.77 -9.17 -1.74 0
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159972 57304235 1 O3H14C17 A3B14C17 -37.42 1.92 -8.74 -0.65 0
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159973 57304239 1 NO5C15H17 AB5C15D17 -187.2 3.19 -8.54 -0.37 0
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159974 57304244 1 N3O6C12H13 A3B6C12D13 -178.47 5.95 -9.61 -0.79 0
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159975 57304250 1 NOSiF7C8H12 ABCD7E8F12 -433.14 5.85 -9.54 0.06 0
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159976 57304256 1 NO3C14H17 AB3C14D17 -98.05 5.88 -8.88 -0.38 0
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159977 57304258 1 ON2C7H14 AB2C7D14 -37.72 2.17 -8.99 0.94 0
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159978 57304264 1 O4N7C36H57 A4B7C36D57 -165.31 0.9 -8.97 -0.56 0
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159979 57304266 1 OC12H14 AB12C14 -11.86 3.85 -9.72 -0.47 0
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159980 57304275 1 OSN5C25H27 ABC5D25E27 60.71 3.78 -8.51 -0.9 0
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159981 57304278 1 NSO4C23H33 ABC4D23E33 -145.43 4.27 -8.09 -0.8 0
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159982 57304279 1 NO4C6H13 AB4C6D13 -194.88 2.13 -10.18 1.91 0
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159983 57304292 1 O6C25H26 A6B25C26 -172.94 3.64 -9.01 -1.25 0
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159984 57304297 1 SO3C17H24 AB3C17D24 -129.51 5.18 -10.16 -0.53 0
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159985 57304301 1 O4C23H32 A4B23C32 -183.31 6.45 -9.92 -0.59 0
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159986 57304322 2 NO4C10H15 AB4C10D15 -354.22 2.89 -9.84 -0.04 0
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159987 57304331 1 NO10C34H35 AB10C34D35 -345.18 2.65 -8.86 -0.81 0
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159988 57304332 1 ClNO2C6H10 ABC2D6E10 -87.44 5.82 -10.09 -0.5 1
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159989 57304335 1 SF3O3N4C8H14 AB3C3D4E8F14 -169.45 6.52 0.0 0.0 0
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159990 57304336 1 Cl2O2N3H7C10 A2B2C3D7E10 -22.81 6.26 -8.85 -1.31 0
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159991 57304340 1 N3O5C12H13 A3B5C12D13 -108.11 8.31 -9.94 -1.48 0
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159992 57304343 4 OC3H6 AB3C6 -177.46 2.11 -9.73 1.31 0
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159993 57304344 1 OCl2N4C24H26 AB2C4D24E26 10.13 7.56 -8.76 -0.64 0
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159994 57304346 1 PSO4C14H21 ABC4D14E21 -216.99 4.99 -8.99 -0.48 0