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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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226935 87559044 1 NZnO2S2C5H11 ABC2D2E5F11 -53.84 1.89 -9.0 -1.61 0
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226936 87559048 1 ISN2H4C9F17 ABC2D4E9F17 -843.39 10.45 -8.46 -1.47 0
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226937 87559054 1 ORuSCl2N2C38H38 ABCD2E2F38G38 72.32 10.46 -6.66 -1.13 1
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226938 87559075 1 INOC6H15 ABCD6E15 -24.82 10.8 0.0 0.0 0
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226939 87559077 1 SO2N5F6H23C25 AB2C5D6E23F25 -267.76 2.51 -9.24 -1.03 0
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226942 87559086 1 N2O4C11H24 A2B4C11D24 -203.89 2.23 -8.16 0.73 0
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226943 87559118 2 NOC10H12 ABC10D12 -9.87 8.41 -8.48 -0.53 0
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226944 87559119 1 AgBH8C36F36 ABC8D36E36 -2150.11 16.09 -8.96 -6.74 0
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226945 87559129 1 ZrO6F8C22H28 AB6C8D22E28 -667.43 3.46 -9.02 -2.02 0
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226946 87559159 1 NO2C11H21 AB2C11D21 -117.76 3.82 -9.56 0.16 0
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226947 87559169 1 N4O6C15H16 A4B6C15D16 -163.76 4.8 -10.01 -1.94 0
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226948 87559170 1 N4O6C21H22 A4B6C21D22 -152.23 6.2 -9.46 -1.39 0
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226949 87559175 1 NaS2O10C20H38 AB2C10D20E38 -457.12 3.92 0.0 0.0 0
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226950 87559177 1 ClSO4C7H13 ABC4D7E13 -172.2 3.14 -10.96 -1.23 0
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226951 87559181 2 NC6H14 AB6C14 -56.04 2.75 -9.26 3.46 0
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226952 87559187 1 AlNOC21H30 ABCD21E30 -83.18 3.42 -8.92 -0.57 0
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226953 87559188 2 NO3H7C10 AB3C7D10 -137.55 4.87 -9.31 -1.12 0
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226954 87559191 2 O2C5H9 A2B5C9 -211.36 6.45 -10.83 -0.16 0
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226955 87559200 1 SCl2H2N2C6O6 AB2C2D2E6F6 -56.15 3.62 -11.5 -3.19 0
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226956 87559207 1 O5C12H26 A5B12C26 -267.98 5.18 -10.11 1.29 -2
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226957 87559227 2 BPF4C7H14 ABC4D7E14 -778.2 14.65 -9.44 0.74 0
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226958 87559228 1 ZrO4F12H26C27 AB4C12D26E27 -649.65 9.75 -6.55 -1.17 0
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226959 87559233 1 OC18H30 AB18C30 -39.61 2.61 -9.49 1.19 1
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226960 87559234 1 NO2C8H18 AB2C8D18 -94.63 4.39 0.0 0.0 0
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226961 87559236 1 NSO3F5H14C20 ABC3D5E14F20 -279.34 2.46 -7.87 -1.98 0
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226962 87559237 1 NS2O6F10H13C26 AB2C6D10E13F26 -569.1 4.55 -9.48 -2.02 0
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226964 87559250 1 SiZrCl2C30H38 ABC2D30E38 -99.52 5.23 -6.95 -0.55 0
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226965 87559251 1 SiC30H40 AB30C40 -8.15 0.87 -8.24 0.27 0
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226966 87559254 1 OTiCl2C29H37 ABC2D29E37 -85.71 3.29 0.0 0.0 0
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226968 87559279 2 ClSO3N4C22H25 ABC3D4E22F25 -119.31 10.85 -9.14 -0.78 0
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226969 87559281 1 ClSN4O4C22H25 ABC4D4E22F25 -90.63 5.49 -9.54 -0.89 0
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226970 87559283 2 NOF3H4C8 ABC3D4E8 -316.98 8.85 -10.37 -2.16 0
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226971 87559290 1 ZnH6C8O10 AB6C8D10 -403.81 3.8 -10.51 -1.65 0
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226972 87559297 1 F3O3N8H41C46 A3B3C8D41E46 -95.71 4.57 -8.83 -0.91 0
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226973 87559299 1 ON5C33H49 AB5C33D49 4.82 4.37 -8.02 -0.2 0
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226974 87559303 1 O2N3F6H19C23 A2B3C6D19E23 -323.02 1.79 -9.56 -1.2 0
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226975 87559310 1 BrON3C23H30 ABC3D23E30 23.29 7.77 -8.65 -0.74 -3
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226977 87559331 1 FO2N3H14C16 AB2C3D14E16 -9.72 2.64 -8.99 -1.25 0
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226978 87559357 1 NCl2O4H19C20 AB2C4D19E20 -84.97 4.38 -9.2 -0.43 0
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226979 87559361 1 NO2S3C6H7 AB2C3D6E7 -22.64 5.77 -9.72 -2.11 0
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226980 87559365 1 ClN3O3C18H20 AB3C3D18E20 -63.36 4.71 -9.35 -0.31 0
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226981 87559367 1 SSiO2C9H21 ABC2D9E21 -153.73 2.84 0.0 0.0 0
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226982 87559390 1 SN2O8C34H48 AB2C8D34E48 -305.02 5.1 -8.52 0.1 0
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226983 87559397 1 SiC52H52 AB52C52 98.41 1.0 -8.37 0.01 0
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226985 87559421 2 NOC2H8 ABC2D8 -137.35 0.96 -9.52 3.11 0
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226987 87559428 1 Cl2O8N10C61H88 A2B8C10D61E88 -370.2 11.08 -8.44 -0.19 -1
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226988 87559431 1 SiZrCl2H25C29 ABC2D25E29 20.68 5.37 0.0 0.0 0
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226989 87559448 1 ClNSC11H26 ABCD11E26 -82.29 3.42 -8.91 0.6 0
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226990 87559449 1 NSC11H25 ABC11D25 -47.81 3.82 -8.89 0.61 0
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226991 87559451 1 INSC11H24 ABCD11E24 -31.15 2.38 -9.03 -1.22 0