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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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56935 22394910 1 OH16C20 AB16C20 39.46 2.79 -8.25 -1.17 0
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56936 22394911 1 OH22C26 AB22C26 50.94 3.23 -8.7 -0.39 0
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56937 22394946 1 O2H13C16F17 A2B13C16D17 -932.12 3.53 -10.89 -0.6 0
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56938 22394958 1 O4C11H12 A4B11C12 -158.63 5.18 -10.6 -1.17 -1
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56939 22394984 1 CoPO3 ABC3 -70.36 2.28 -9.03 -6.77 2
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56941 22394989 2 O2C4H5 A2B4C5 -162.57 2.35 -8.79 -0.53 -1
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56942 22394991 1 N2O2C15H27 A2B2C15D27 -82.9 4.19 0.0 0.0 0
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56943 22394995 1 NC10H19 AB10C19 12.28 1.46 -8.78 1.14 0
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56944 22395003 1 NOC12H15 ABC12D15 4.92 3.78 -9.51 0.25 0
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56945 22395004 1 ClNSO5C29H32 ABCD5E29F32 -177.17 8.27 -8.99 -0.56 0
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56948 22395023 1 BaPH3O3 ABC3D3 -312.24 5.06 -7.04 -1.55 1
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56949 22395024 1 NaSO7C11H20 ABC7D11E20 -301.99 2.68 0.0 0.0 0
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56950 22395025 1 SO7C11H20 AB7C11D20 -326.62 6.95 -11.18 -0.46 0
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56951 22395026 1 OH28C29 AB28C29 40.45 1.76 -8.7 0.18 0
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56953 22395034 1 O3C13H18 A3B13C18 -127.1 2.5 -9.42 0.05 0
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56954 22395035 1 O3C12H22 A3B12C22 -153.41 1.18 -9.88 0.66 0
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56955 22395048 1 O3C16H32 A3B16C32 -198.17 2.66 -9.73 0.83 0
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56956 22395049 1 O3C7H14 A3B7C14 -145.22 1.53 -9.91 0.56 0
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56957 22395051 3 OC5H10 AB5C10 -189.09 2.14 -9.91 0.96 0
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56958 22395069 1 O3C17H34 A3B17C34 -200.62 3.29 -10.02 0.74 0
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56959 22395070 1 O3C11H20 A3B11C20 -161.02 2.65 -9.78 1.0 0
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56960 22395071 1 O3C11H20 A3B11C20 -165.05 0.64 -9.74 0.87 0
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56961 22395076 1 O3C13H18 A3B13C18 -127.56 1.49 -9.41 0.36 0
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56962 22395084 1 ZrCl2H20C22 AB2C20D22 83.02 2.82 -5.61 -3.91 0
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56963 22395085 22 CH AB 47.4 1.26 -8.51 0.18 -2
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56965 22395118 1 ZrCl2Si2C22H24 AB2C2D22E24 -65.83 2.7 -7.1 -0.7 0
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56966 22395119 1 ClSiH9C10 ABC9D10 80.78 1.79 -7.81 -1.65 0
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56967 22395131 2 C9H11 A9B11 143.44 0.96 -8.26 0.53 0
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56968 22395137 1 SiH20C23 AB20C23 85.1 0.84 -9.03 0.02 0
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56969 22395147 1 NSCl2O5C29H31 ABC2D5E29F31 -184.28 1.57 -9.23 -0.97 0
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56970 22395149 1 SiN3O3C16H34 AB3C3D16E34 -22.03 3.9 0.0 0.0 0
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56971 22395155 1 SiO6C10H24 AB6C10D24 -386.78 4.1 -10.07 0.77 0
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56972 22395156 1 SiN3O3C5H10 AB3C3D5E10 90.12 2.02 0.0 0.0 1
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56973 22395161 1 Br3N4H16 A3B4C16 -140.91 6.77 0.0 0.0 0
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56974 22395162 1 O3C37H76 A3B37C76 -255.28 4.66 -9.57 1.63 -1
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56975 22395165 1 ZnC6H15 AB6C15 78.53 1.43 0.0 0.0 0
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56976 22395175 1 N15O15C62H95 A15B15C62D95 -691.04 12.59 -9.1 -0.77 0
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56977 22395176 1 N9O10C36H65 A9B10C36D65 -540.42 8.33 -9.9 -0.2 0
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56978 22395177 5 N2O3C10H14 A2B3C10D14 -693.41 4.21 -8.97 -0.53 0
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56979 22395178 2 N4O5C18H33 A4B5C18D33 -541.35 11.96 -9.64 -0.1 0
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56980 22395179 1 O9N11C37H59 A9B11C37D59 -409.76 12.2 -8.8 -0.3 0
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56981 22395180 1 S2N6O7C26H48 A2B6C7D26E48 -376.76 12.64 -9.3 -0.27 0
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56982 22395181 1 S2N7O8C29H53 A2B7C8D29E53 -426.76 7.57 -9.53 -0.28 0
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56983 22395182 2 SN8O8C30H45 AB8C8D30E45 -578.16 12.43 -8.39 -0.34 0
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56984 22395183 1 N13O13C45H71 A13B13C45D71 -609.05 10.9 -8.29 -0.2 0
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56985 22395184 2 N6O6C25H37 A6B6C25D37 -534.59 6.44 -8.66 -0.32 0
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56986 22395185 1 O12N13C50H73 A12B13C50D73 -512.48 9.7 -9.04 -0.57 0
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56987 22395186 1 N13O13C47H75 A13B13C47D75 -612.88 3.28 -8.82 -0.34 0
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56988 22395187 1 SO23N25C93H151 AB23C25D93E151 -1076.59 4.53 -8.7 -0.38 0
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56989 22395188 1 S3O9N10C30H56 A3B9C10D30E56 -440.48 8.35 -8.87 -0.22 0
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56990 22395189 1 N10O13C48H68 A10B13C48D68 -568.67 2.86 -8.89 -0.58 0
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56991 22395190 1 N13O13C51H75 A13B13C51D75 -567.75 12.96 -9.01 -0.53 0
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56993 22395193 1 SN15O15C63H89 AB15C15D63E89 -631.76 9.97 -8.3 -1.35 0
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56994 22395194 1 SO11N12C54H80 AB11C12D54E80 -484.23 6.66 -9.08 -0.36 0
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56995 22395195 1 O11N13C49H73 A11B13C49D73 -351.55 15.24 -8.63 -0.48 0
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56996 22395196 1 N13O13C48H69 A13B13C48D69 -561.46 6.22 -8.49 -0.26 0
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56997 22395197 1 SO11N12C42H78 AB11C12D42E78 -547.61 7.64 -8.8 0.04 0
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56998 22395198 1 S2O13N16C56H78 A2B13C16D56E78 -517.19 14.72 -8.8 -0.6 0
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56999 22395201 1 S2O12N16C51H70 A2B12C16D51E70 -450.29 12.71 -8.52 -0.04 0
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57000 22395202 2 N5O7C14H23 A5B7C14D23 -645.93 12.33 -9.59 -0.17 0
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57001 22395204 1 N2O6H8C11 A2B6C8D11 -136.63 6.3 -10.8 -2.01 0
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57002 22395205 1 HN2O2C3F3 AB2C2D3E3 -190.5 3.28 -11.21 -1.62 0
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57003 22395206 1 N2O2C11H16 A2B2C11D16 -72.94 1.52 -9.34 -1.54 0
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57004 22395207 1 INO3C8H14 ABC3D8E14 -149.24 5.41 -9.3 -2.39 0
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57005 22395210 1 FPN3O7C9H15 ABC3D7E9F15 -384.01 3.95 -10.24 -1.13 -2
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57006 22395211 1 FPSN2O7C9H10 ABCD2E7F9G10 -340.99 4.76 -10.12 -2.25 0
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57007 22395212 1 FPSN2O7C9H12 ABCD2E7F9G12 -410.07 5.92 -10.06 -0.85 0
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57008 22395213 1 NOSC2H7 ABCD2E7 -48.01 2.89 -9.04 0.29 0
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57009 22395214 1 O4N5C9H11 A4B5C9D11 -83.61 10.51 -9.39 -0.41 0
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57010 22395216 1 FN2O7H29C30 AB2C7D29E30 -249.16 7.06 -8.92 -0.76 0
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57011 22395218 1 SP3H5O11 AB3C5D11 -668.54 3.9 -9.29 -1.59 -3
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57012 22395219 1 P2S2H3O6 A2B2C3D6 -267.58 5.15 0.0 0.0 0
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57013 22395220 1 N5O10C19H27 A5B10C19D27 -392.24 5.25 -9.1 -0.57 0
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57015 22395222 1 Cl2S2N5O7H23C24 A2B2C5D7E23F24 -149.11 6.3 -9.07 -1.16 0
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57016 22395223 1 ClSN3O5C16H16 ABC3D5E16F16 -95.71 0.91 -8.86 -0.93 0