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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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12193 132125 1 ClN3O3S3H16C18 AB3C3D3E16F18 -62.4 5.5 -8.96 -1.24 0
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12194 132137 1 O5N8C27H38 A5B8C27D38 -191.51 6.98 -9.03 -0.09 0
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12195 132147 1 NS3O4C12H13 AB3C4D12E13 -137.38 5.35 -9.25 -1.57 0
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12196 132163 1 O3N5H13C17 A3B5C13D17 -21.44 5.85 -9.02 -0.92 0
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12197 132168 1 O2N3C23H33 A2B3C23D33 -57.84 5.8 -8.38 -0.13 0
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12198 132192 2 OC10H15 AB10C15 -105.23 2.22 -9.71 0.88 0
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12199 132249 1 NaS3N5O10H20C21 AB3C5D10E20F21 -350.75 5.44 -9.36 -1.56 0
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12200 132251 1 O3H18C20 A3B18C20 -24.23 3.55 -8.7 -0.84 0
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12201 132252 1 NPCl2O4C15H24 ABC2D4E15F24 -231.28 5.39 -9.22 -0.47 0
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12202 132260 1 N11O12C58H81 A11B12C58D81 -467.06 4.49 -9.04 -0.43 0
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12203 132267 1 O5C23H24 A5B23C24 -154.81 2.76 -8.64 -0.64 0
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12204 132295 1 SN2O4C16H16 AB2C4D16E16 -82.3 5.47 -9.18 -1.12 0
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12205 132302 1 SO3N5C11H19 AB3C5D11E19 -80.73 6.39 -9.04 -0.34 0
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12206 132306 1 FNO4C23H24 ABC4D23E24 -165.6 2.45 -9.06 -1.02 0
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12208 132344 1 O18N23C62H105 A18B23C62D105 -848.57 6.02 -8.77 -0.19 0
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12209 132362 1 N2S2C7H12 A2B2C7D12 16.01 2.02 -8.89 -1.2 0
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12210 132363 1 Cl2O2N5C13H13 A2B2C5D13E13 -21.97 7.7 -9.48 -1.58 0
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12211 132385 1 BrN2O6H11C12 AB2C6D11E12 -168.0 6.56 -10.91 -1.77 0
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12212 132388 1 O22C49H78 A22B49C78 -1038.25 5.35 -9.51 0.33 0
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12213 132415 5 OH2C3 AB2C3 -153.92 3.21 -8.94 -1.57 0
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12214 132444 1 SCl2N4O8C24H28 AB2C4D8E24F28 -310.06 9.59 -9.01 -0.91 0
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12215 132453 1 C9O9H22 A9B9C22 -436.24 1.45 -10.64 1.34 0
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12216 132548 1 ClSO2N4C22H25 ABC2D4E22F25 3.16 5.42 -9.17 -1.5 0
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12217 132607 1 ISN5O5H30C36 ABC5D5E30F36 1.49 5.81 -9.09 -1.16 0
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12218 132608 1 O5N10C40H42 A5B10C40D42 -66.93 4.12 -7.81 -0.63 0
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12219 132609 1 NPO6C28H58 ABC6D28E58 -404.73 14.61 -9.29 -0.29 0
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12220 132642 1 O4C31H48 A4B31C48 -213.91 2.34 -8.06 0.14 0
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12221 132799 1 PCl2N2O5H9C14 AB2C2D5E9F14 -218.71 7.49 -9.2 -1.45 0
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12223 132900 1 SN4O11C29H42 AB4C11D29E42 -477.27 5.1 -9.45 -1.69 0
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12224 132943 1 N2O5C35H38 A2B5C35D38 -125.08 4.57 -9.45 -0.37 0
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12225 132962 1 O2F7C27H37 A2B7C27D37 -507.93 5.33 -9.51 0.15 0
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12226 133019 1 NOC27H47 ABC27D47 -122.74 3.55 -9.18 1.21 0
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12227 133035 1 OSN2Cl3C19H25 ABC2D3E19F25 -85.36 2.92 -8.91 -0.59 0
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12228 133103 1 N3O4C30H38 A3B4C30D38 -106.28 4.37 0.0 0.0 1
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12230 133140 1 F2N3Cl4O9C45H51 A2B3C4D9E45F51 -358.5 10.74 -9.44 -0.86 0
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12231 133154 1 IN2O7C18H21 AB2C7D18E21 -248.71 4.14 -9.12 -1.13 0
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12232 133157 3 OC9H12 AB9C12 -104.81 3.55 -8.19 0.77 0
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12233 133176 1 NOC10H18 ABC10D18 -8.56 3.94 0.0 0.0 1
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12234 133397 1 NO2C19H27 AB2C19D27 -101.27 1.31 -8.78 0.22 0
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12235 133402 1 NSO2C6H13 ABC2D6E13 -102.7 4.21 -9.19 0.08 0
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12236 133406 1 P2N5O16C17H27 A2B5C16D17E27 -773.5 3.21 -9.22 -0.66 0
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12237 133407 1 N4O4C19H22 A4B4C19D22 28.5 7.19 -9.05 -1.62 0
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12238 133408 1 O5C16H16 A5B16C16 -173.92 2.91 -9.11 -1.82 0
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12239 133409 1 O9C24H26 A9B24C26 -364.16 3.42 -8.47 -0.84 0
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12240 133410 1 O3N4C14H20 A3B4C14D20 -42.98 9.31 -8.79 -0.76 0
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12241 133412 1 ON2C10H10 AB2C10D10 22.58 1.84 -9.25 -0.19 0
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12242 133451 1 NPO9C44H86 ABC9D44E86 -534.78 5.09 -9.48 -0.38 0
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12243 133454 1 OC15H26 AB15C26 -94.06 2.15 -10.0 2.96 0
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12244 133465 2 O9C23H39 A9B23C39 -873.16 9.24 -9.16 0.1 0
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12245 133470 1 NPO4C9H12 ABC4D9E12 -220.87 7.19 -8.99 -0.29 0