List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
122362 50803823 2 NOC11H13 ABC11D13 -64.26 6.27 -8.81 0.07 0
122363 50803905 1 ClFN2O2C20H20 ABC2D2E20F20 -107.31 5.24 -8.82 -0.44 0
122364 50803909 1 O2N4C27H36 A2B4C27D36 -57.9 7.3 -8.29 -0.03 0
122365 50803911 1 F2N2O2C21H22 A2B2C2D21E22 -157.16 3.74 -8.89 -0.74 0
122366 50803912 1 ClN2O2C25H25 AB2C2D25E25 -54.96 3.19 -8.85 -0.64 0
122367 50803913 2 NOC13H14 ABC13D14 -54.04 3.97 -8.28 -0.32 0
122368 50803930 4 NOC7H10 ABC7D10 -169.68 1.88 -8.81 0.07 0
122369 50804001 1 N3O3C23H31 A3B3C23D31 -116.47 3.07 -8.76 0.04 0
122370 50804002 1 N3O3C19H31 A3B3C19D31 -152.49 4.0 -8.7 0.07 0
122371 50804003 1 ClN2O3C19H23 AB2C3D19E23 -137.33 5.2 -8.74 -0.18 0
122372 50804004 1 N2O3C20H26 A2B3C20D26 -127.06 5.47 -9.01 0.05 0
122373 50804005 1 N2O4C17H26 A2B4C17D26 -197.65 2.97 -9.07 -0.01 0
122374 50804006 1 N2O3C19H24 A2B3C19D24 -127.28 3.55 -8.58 -0.04 0
122375 50804007 1 BrN2O3C19H23 AB2C3D19E23 -117.19 3.72 -9.09 -0.3 0
122376 50804008 1 ClN3O4C21H22 AB3C4D21E22 -98.33 7.17 -9.26 -0.62 0
122377 50804009 1 FN3O4C21H22 AB3C4D21E22 -136.79 6.13 -9.3 -0.51 0
122378 50804010 1 N3O5C22H33 A3B5C22D33 -235.71 4.3 -9.0 0.04 0
122379 50804011 1 N4O5C25H38 A4B5C25D38 -250.67 8.83 -8.91 0.14 0
122380 50804012 1 O4N5C25H41 A4B5C25D41 -197.92 6.69 -8.59 0.14 0
122381 50804013 1 N4O4C27H44 A4B4C27D44 -217.3 5.06 -8.87 0.14 0
122382 50804014 1 FN2O3C21H23 AB2C3D21E23 -133.59 8.31 -9.09 -0.04 0
122383 50804113 1 N2O3C26H28 A2B3C26D28 -78.97 3.98 -8.62 -0.25 0
122384 50804236 1 SO3N4C25H26 AB3C4D25E26 -9.81 3.36 -7.91 -1.15 0
122385 50804237 1 SN4O4C25H26 AB4C4D25E26 -42.91 5.2 -8.0 -1.03 0
122386 50804433 1 SO3N4C26H28 AB3C4D26E28 -16.12 5.71 -7.86 -1.1 0
122387 50804434 1 S2N4O5C21H24 A2B4C5D21E24 -114.99 1.65 -8.03 -1.32 0
122388 50804436 1 FSO2N4H21C23 ABC2D4E21F23 -17.38 3.06 -8.4 -1.42 0
122389 50804489 1 SO3N4C26H28 AB3C4D26E28 -18.43 3.66 -8.06 -1.21 0
122390 50804490 1 SN4O4C26H28 AB4C4D26E28 -48.92 3.87 -8.01 -0.97 0
122391 50804618 1 SO2N5H21C22 AB2C5D21E22 30.38 6.3 -8.57 -1.26 0
122392 50804635 1 FSO3N6H23C24 ABC3D6E23F24 -33.73 5.91 -8.72 -1.16 0
122393 50804636 1 BrSO3N4H15C20 ABC3D4E15F20 23.52 8.37 -8.92 -1.12 0
122394 50804661 1 FSO2N4H15C19 ABC2D4E15F19 2.03 6.74 -8.94 -1.22 0
122395 50804662 1 FSO3N5H16C20 ABC3D5E16F20 -40.58 9.87 -9.02 -1.21 0
122396 50804858 1 FOSN5H8C13 ABCD5E8F13 53.97 6.22 -9.36 -1.5 0
122397 50804925 1 FOSN4H15C20 ABCD4E15F20 57.22 8.39 -9.12 -1.35 0
122398 50804962 1 SO3N5H21C22 AB3C5D21E22 0.51 7.06 -9.03 -1.28 0
122399 50804981 1 FOSN4H13C18 ABCD4E13F18 44.21 7.91 -8.96 -1.26 0
122400 50804982 1 OSN4H20C22 ABC4D20E22 83.51 7.37 -8.82 -0.99 0
122401 50805002 1 SO2N5H19C21 AB2C5D19E21 36.85 5.37 -9.04 -1.23 0
122402 50805039 1 O2N5C24H25 A2B5C24D25 17.75 4.5 -8.5 -0.71 0
122403 50805053 1 BrO2N5C22H28 AB2C5D22E28 -24.26 1.76 -8.49 -0.88 0
122404 50805157 1 OF3N5H18C22 AB3C5D18E22 -80.75 4.83 -8.83 -1.14 0
122405 50805213 1 O3N5C21H25 A3B5C21D25 -62.83 4.78 -8.4 -0.69 0
122406 50805407 1 BrO2N3C18H22 AB2C3D18E22 -14.85 4.32 -8.97 -0.76 0
122407 50805408 1 BrN2O3C14H15 AB2C3D14E15 -49.65 1.79 -9.86 -0.88 0
122408 50805433 1 FN2O2H19C20 AB2C2D19E20 -47.36 2.91 -9.05 -0.84 0
122409 50805434 1 BrO2N5H18C19 AB2C5D18E19 44.87 4.68 -9.02 -0.88 0
122410 50805435 1 BrN3O3C22H22 AB3C3D22E22 -10.36 5.52 -8.52 -0.73 0
122411 50805436 1 BrN2O3H17C19 AB2C3D17E19 -21.68 3.81 -9.11 -0.8 0
122412 50805437 1 BrSN2O2H13C16 ABC2D2E13F16 24.36 2.11 -9.32 -0.82 0
122413 50805438 1 BrN2O3C16H19 AB2C3D16E19 -59.81 3.37 -9.78 -0.88 0
122414 50805439 1 N4O5C24H38 A4B5C24D38 -239.08 4.89 -9.01 0.05 0
122415 50805504 1 FN2O2C19H21 AB2C2D19E21 -62.73 6.8 -9.48 -0.51 0
122416 50805505 1 ClFN2O2H14C18 ABC2D2E14F18 -40.4 2.27 -9.56 -0.75 0
122417 50805624 1 FN2O2C17H19 AB2C2D17E19 -67.38 5.58 -9.59 -0.51 0
122418 50805696 1 ClO2N3C22H24 AB2C3D22E24 -9.52 4.55 -7.64 -0.63 0
122419 50805697 1 BrN2O2H15C18 AB2C2D15E18 13.76 3.06 -8.75 -0.97 0
122420 50805754 1 F2N2O2C15H16 A2B2C2D15E16 -118.94 2.75 -9.84 -0.95 0
122421 50805756 1 ClN2O2C19H21 AB2C2D19E21 -27.05 3.37 -9.25 -0.87 0
122422 50805777 1 FN2O3C17H21 AB2C3D17E21 -115.94 3.33 -9.73 -0.48 0
122423 50805781 1 ClN2O2C17H19 AB2C2D17E19 -27.43 6.25 -9.58 -0.66 0
122424 50806000 1 ON4H24C25 AB4C24D25 58.69 4.42 -8.44 -0.26 0
122425 50806194 1 SO2N5C23H23 AB2C5D23E23 19.13 4.47 -8.59 -1.38 0
122426 50806232 1 SN5O5H21C22 AB5C5D21E22 -66.67 7.27 -8.26 -1.41 0
122427 50806233 1 ClSO3N4H17C21 ABC3D4E17F21 -0.59 7.47 -8.84 -0.96 0
122428 50806340 1 SN4O4H18C21 AB4C4D18E21 -19.86 1.7 -8.86 -1.06 0
122429 50806341 1 FSO2N4H15C19 ABC2D4E15F19 1.51 7.35 -8.95 -1.15 0
122430 50806342 1 ClFSO2N4H14C19 ABCD2E4F14G19 -6.73 7.57 -8.93 -1.11 0
122431 50806370 1 SO2N4H20C21 AB2C4D20E21 29.99 6.21 -8.87 -1.1 0
122432 50806415 1 SO2N4H16C19 AB2C4D16E19 49.31 9.63 -9.19 -1.24 0
122433 50806913 1 ON6C27H32 AB6C27D32 39.61 4.32 -8.54 -0.2 0
122434 50806949 1 FSN2O4H21C22 ABC2D4E21F22 -132.26 7.87 -9.04 -0.97 0
122435 50807069 1 FN2O4H23C29 AB2C4D23E29 -101.73 6.84 -8.95 -0.81 0
122436 50807123 1 BrO3N4C23H25 AB3C4D23E25 -53.19 6.7 -8.66 -0.94 0
122437 50807124 1 ClO3N4C23H25 AB3C4D23E25 -64.96 6.28 -8.61 -0.86 0
122438 50807125 1 ClSN2O3C23H23 ABC2D3E23F23 -67.74 8.51 -9.08 -1.01 0
122439 50807126 1 FSN2O3C23H23 ABC2D3E23F23 -107.0 4.51 -8.3 -0.69 0
122440 50807127 2 NO2H11C12 AB2C11D12 -89.84 8.96 -8.7 -0.72 0
122441 50807128 1 SN2O4H18C21 AB2C4D18E21 -77.79 8.94 -8.87 -1.09 0
122442 50807129 1 N2O5C20H22 A2B5C20D22 -157.33 8.48 -8.57 -0.68 0
122443 50807130 1 N2O5C16H22 A2B5C16D22 -194.45 6.73 -8.68 -0.69 0
122444 50807131 1 ClO3N4C24H27 AB3C4D24E27 -67.35 7.45 -8.92 -0.87 0
122445 50807132 1 ClN3O3C26H32 AB3C3D26E32 -108.3 9.53 -8.79 -0.89 0
122446 50807140 1 N2O4H20C23 A2B4C20D23 -85.71 6.82 -8.7 -0.56 0
122447 50807141 1 N2O4C19H20 A2B4C19D20 -126.09 6.55 -8.68 -0.51 0
122448 50807213 1 SO2N4H14C21 AB2C4D14E21 29.09 2.8 -8.56 -1.77 0
122449 50807214 1 ClSO2N4H15C19 ABC2D4E15F19 -6.29 2.18 -8.97 -1.67 0
122450 50807215 1 SN4O4C22H22 AB4C4D22E22 -88.55 4.36 -8.46 -1.4 0
122451 50807221 1 SO2N4C16H18 AB2C4D16E18 -51.78 2.85 -8.8 -1.42 0
122452 50807223 1 N2O3C18H28 A2B3C18D28 -148.88 6.43 -8.9 -0.36 0
122453 50807224 1 BrN2O3C22H27 AB2C3D22E27 -105.2 5.56 -7.96 -0.72 0
122454 50807338 1 FN3O3C24H28 AB3C3D24E28 -135.26 9.19 -8.69 -0.76 0
122455 50807341 1 ClN2O3C18H19 AB2C3D18E19 -98.01 5.83 -8.56 -0.88 0
122456 50807342 1 FN2O4C24H29 AB2C4D24E29 -193.47 8.02 -8.93 -0.91 0
122457 50807462 1 N2O3C23H30 A2B3C23D30 -119.17 6.96 -8.34 -0.46 0
122458 50807493 1 N2O3C21H24 A2B3C21D24 -95.41 9.48 -8.86 -0.62 0
122459 50807510 1 FON3C30H32 ABC3D30E32 -18.95 6.37 -8.2 -0.08 0
122460 50807511 1 OF2N3H27C28 AB2C3D27E28 -53.42 5.19 -8.2 -0.34 0
122461 50807512 1 FO2N4C28H35 AB2C4D28E35 -77.17 4.73 -8.27 -0.15 0