List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
439470 135229244 4 O2H19C20 A2B19C20 51.21 2.45 -8.12 0.01 0
439471 135229245 1 O14C27H32 A14B27C32 -572.78 4.3 -9.37 -0.6 0
439472 135229246 1 F3N3C8H8 A3B3C8D8 -111.71 6.35 -9.2 -1.02 0
439473 135229247 1 SF3O3N5C17H18 AB3C3D5E17F18 -184.59 7.3 -9.37 -1.16 0
439474 135229248 1 SO2F3N5C17H18 AB2C3D5E17F18 -143.43 10.12 -9.51 -1.2 0
439475 135229249 1 SF3N5C17H18 AB3C5D17E18 -61.67 10.77 -8.64 -0.95 0
439476 135229250 1 SO2F3N5C19H22 AB2C3D5E19F22 -152.27 9.97 -9.48 -1.25 0
439477 135229251 1 S2F3O3N5C17H18 A2B3C3D5E17F18 -164.99 9.79 -9.3 -1.26 0
439478 135229252 1 SO2F3N5C18H20 AB2C3D5E18F20 -149.24 8.66 -9.51 -1.34 0
439479 135229253 2 O3H36C40 A3B36C40 159.69 3.44 -8.46 0.11 0
439480 135229254 1 O6H34C45 A6B34C45 -29.57 2.82 -8.8 -0.74 0
439481 135229255 2 OH14C16 AB14C16 55.56 1.64 -8.63 -0.19 0
439482 135229256 1 N2O5C27H44 A2B5C27D44 -233.36 3.17 -9.18 -0.94 0
439483 135229257 1 N6H28C43 A6B28C43 260.06 4.1 -8.82 -1.0 0
439484 135229258 2 N2H19C22 A2B19C22 187.65 0.34 -8.48 -0.83 0
439485 135229259 2 N2O2H19C28 A2B2C19D28 194.23 6.93 -8.75 -1.2 0
439486 135229260 2 NOH13C14 ABC13D14 8.02 7.68 -8.16 -0.49 0
439487 135229261 1 N7H31C50 A7B31C50 303.0 5.94 -8.72 -1.26 0
439488 135229262 2 NH8C9 AB8C9 79.98 5.17 -9.41 -1.03 0
439489 135229263 1 N2O10C91H178 A2B10C91D178 -820.18 10.35 -8.71 0.72 0
439490 135229264 1 N3O3C51H53 A3B3C51D53 12.71 2.32 -7.73 0.03 0
439491 135229265 1 Cl2N2O2F6H18C29 A2B2C2D6E18F29 -247.68 6.64 -9.76 -1.37 0
439492 135229266 1 N4H26C33 A4B26C33 233.72 3.38 -8.46 -0.96 0
439493 135229267 2 N2O4C42H81 A2B4C42D81 -655.46 2.64 -8.5 0.89 0
439494 135229268 1 OPN3C16H34 ABC3D16E34 -109.18 4.1 -8.22 1.2 0
439495 135229269 1 PN3C16H34 AB3C16D34 -46.08 3.62 -7.64 1.39 0
439496 135229270 2 N2O5C62H120 A2B5C62D120 -953.44 5.67 -8.56 0.84 0
439497 135229271 1 SC45H76 AB45C76 -100.2 1.5 -6.63 1.19 0
439498 135229272 2 N2C3H7 A2B3C7 24.27 2.03 -9.03 1.88 0
439499 135229273 1 N2S3C35H64 A2B3C35D64 0.84 2.96 -7.0 0.56 0
439500 135229274 1 SN2F6O6C64H68 AB2C6D6E64F68 -422.85 9.24 -9.35 -1.0 0
439501 135229275 1 O3H22C25 A3B22C25 -25.86 2.23 -8.6 -0.82 0
439502 135229276 2 N2H11C17 A2B11C17 210.75 0.99 -8.71 -0.91 0
439503 135229277 1 SC37H54 AB37C54 36.46 1.55 -7.22 0.6 0
439504 135229278 1 ON4C19H40 AB4C19D40 -76.06 2.7 -8.17 2.44 0
439505 135229279 4 NC6H11 AB6C11 18.04 1.03 -8.05 1.54 0
439506 135229280 2 NO2C6H12 AB2C6D12 -203.91 7.92 -9.48 0.38 0
439507 135229281 1 N6H26C37 A6B26C37 252.85 5.74 -9.08 -1.65 0
439508 135229282 2 NC26H50 AB26C50 -135.27 1.99 -8.45 1.25 0
439509 135229283 1 O2N3C22H31 A2B3C22D31 -19.97 2.95 -8.2 -0.45 0
439510 135229284 1 F2N3O4H25C26 A2B3C4D25E26 -169.48 4.92 -8.93 -1.65 0
439511 135229285 1 O3N4C53H62 A3B4C53D62 -48.17 3.48 -7.8 -0.91 0
439512 135229287 1 NO12C51H83 AB12C51D83 -580.81 10.07 -8.81 -0.09 0
439513 135229288 1 ON4H48C50 AB4C48D50 119.27 1.05 -7.73 -0.76 0
439514 135229289 1 N6O15C174H338 A6B15C174D338 -1383.04 3.12 -8.66 0.78 0
439515 135229290 1 N4O10C123H238 A4B10C123D238 -945.07 10.21 -8.77 0.89 0
439516 135229291 1 NO13C50H81 AB13C50D81 -633.23 8.31 -8.77 -0.49 0
439517 135229292 1 SN2O3C22H46 AB2C3D22E46 -221.15 3.7 -8.76 0.71 0
439518 135229293 2 N2O5C57H112 A2B5C57D112 -915.02 10.53 -8.86 0.88 0
439519 135229294 2 NO5C51H100 AB5C51D100 -868.38 5.38 -8.66 0.75 0
439520 135229295 1 O3N7C22H29 A3B7C22D29 38.17 3.46 -7.81 -0.4 0
439521 135229296 1 S2O3C10H16 A2B3C10D16 -126.85 4.11 -9.0 -1.25 0
439522 135229298 1 ClFO5N16C38H42 ABC5D16E38F42 35.95 7.85 -7.87 -0.96 0
439523 135229299 1 O3N7C23H25 A3B7C23D25 9.84 5.33 -7.91 -0.63 0
439524 135229300 1 F3N3O3C27H32 A3B3C3D27E32 -251.62 2.91 -8.85 -0.66 0
439525 135229301 1 O2N3C29H39 A2B3C29D39 -69.22 3.8 -8.12 -0.13 0
439526 135229302 1 SN3O8C28H49 AB3C8D28E49 -407.85 4.53 -9.37 -0.34 0
439527 135229303 1 NOC12H21 ABC12D21 -57.4 4.47 -9.24 0.45 0
439528 135229304 1 NOC11H17 ABC11D17 -22.56 4.63 -9.31 0.38 0
439529 135229305 1 NOS2C4H7 ABC2D4E7 -20.62 1.54 -9.31 -1.4 0
439530 135229306 1 F2O4N18C39H46 A2B4C18D39E46 53.89 6.68 -8.1 -0.72 0
439531 135229307 4 NC6H11 AB6C11 17.62 1.09 -7.92 1.49 0
439532 135229308 1 FO2N10C22H29 AB2C10D22E29 13.07 3.33 -8.33 -0.56 0
439533 135229309 1 FON8C18H23 ABC8D18E23 30.31 4.07 -8.03 -0.25 0
439534 135229310 1 O3N7C22H27 A3B7C22D27 6.68 1.63 -7.97 -0.12 0
439535 135229311 1 O3N7C22H31 A3B7C22D31 -22.43 4.59 -8.41 -0.54 0
439536 135229312 1 FOC16H25 ABC16D25 -109.9 1.65 -8.74 0.3 0
439537 135229313 1 FO2N9C22H26 AB2C9D22E26 36.75 0.88 -8.21 -0.47 0
439538 135229314 1 FO2N10C21H29 AB2C10D21E29 18.1 3.95 -8.28 -0.52 0
439539 135229315 1 FO2N10C23H31 AB2C10D23E31 12.04 4.32 -8.33 -0.53 0
439540 135229316 1 O3N7C20H23 A3B7C20D23 14.19 4.72 -7.56 -0.36 0
439541 135229317 1 O7N14C42H52 A7B14C42D52 -55.54 4.29 -8.16 -0.47 0
439542 135229318 2 SO2C5H9 AB2C5D9 -203.62 7.56 -8.84 -1.04 0
439543 135229319 1 O4N7C21H25 A4B7C21D25 -15.73 3.45 -8.18 -0.4 0
439544 135229320 1 O3N8C21H26 A3B8C21D26 22.01 3.75 -8.17 -0.4 0