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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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57431 22395914 1 SN2Cl4O5H18C20 AB2C4D5E18F20 -184.09 6.89 -9.72 -1.33 -1
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57432 22395916 1 SN2O5C22H33 AB2C5D22E33 -202.93 0.9 0.0 0.0 0
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57433 22395917 1 SN2O5C22H34 AB2C5D22E34 -221.58 2.23 -9.43 -0.18 0
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57434 22395920 1 FSN2O5C26H27 ABC2D5E26F27 -212.43 8.63 -8.8 -1.19 0
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57435 22395921 1 SN4O6C32H32 AB4C6D32E32 -172.82 10.95 -8.69 -0.91 0
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57436 22395922 1 N3O5C19H25 A3B5C19D25 -203.03 9.75 -9.41 -0.26 0
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57437 22395926 1 SCl2N2O5C22H24 AB2C2D5E22F24 -187.2 8.79 -9.7 -1.2 0
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57438 22395927 1 SCl2N4O5C25H26 AB2C4D5E25F26 -156.28 9.53 -9.22 -1.3 0
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57439 22395932 1 S2N3F6O10H37C39 A2B3C6D10E37F39 -632.81 2.54 -8.75 -1.81 0
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57440 22395934 1 FSCl2N2O6H23C27 ABC2D2E6F23G27 -236.14 10.69 -9.86 -1.75 0
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57441 22395935 1 SF2N2O5C22H24 AB2C2D5E22F24 -274.61 4.14 -9.46 -0.98 0
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57442 22395936 2 NO2C13H13 AB2C13D13 -126.11 5.72 -8.82 -0.39 0
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57443 22395937 1 ClFN2S2O5C18H18 ABC2D2E5F18G18 -209.89 9.76 -9.58 -1.82 0
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57444 22395938 1 SF3N5O7C38H38 AB3C5D7E38F38 -386.39 9.04 -8.78 -1.37 0
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57445 22395939 1 S3N5O10C45H45 A3B5C10D45E45 -287.41 5.73 -8.72 -0.82 0
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57446 22395940 1 SN2O3C17H18 AB2C3D17E18 -69.07 3.45 -9.17 -0.25 0
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57447 22395941 1 SCl2N3O6H21C22 AB2C3D6E21F22 -182.74 4.87 -9.28 -1.4 0
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57448 22395945 1 SCl2N2O5C18H24 AB2C2D5E18F24 -218.99 7.8 -9.79 -1.26 0
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57449 22395950 1 ISCl2N2O5H23C26 ABC2D2E5F23G26 -135.83 2.26 -9.58 -1.16 0
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57450 22395952 1 ISCl2N2O6H19C20 ABC2D2E6F19G20 -207.71 6.62 -9.18 -1.48 0
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57451 22395954 1 SN3O6C37H41 AB3C6D37E41 -179.73 5.66 -9.39 -1.13 0
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57452 22395955 1 SCl2N2O5C22H24 AB2C2D5E22F24 -190.58 9.32 -9.81 -1.66 0
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57453 22395956 1 SCl2N3O8H23C26 AB2C3D8E23F26 -194.46 4.51 -9.87 -1.52 0
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57454 22395958 1 ClFSN2O5C20H20 ABCD2E5F20G20 -221.55 8.96 -9.46 -1.44 0
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57455 22395961 1 SCl2N3O7C29H29 AB2C3D7E29F29 -242.28 9.26 -9.14 -1.51 0
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57456 22395966 1 SCl2N2O5C21H22 AB2C2D5E21F22 -187.53 8.89 -9.42 -1.67 0
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57457 22395968 1 O3N4C19H24 A3B4C19D24 -89.25 11.4 -9.53 -0.46 0
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57458 22395969 1 FS2N3O6C26H26 AB2C3D6E26F26 -216.96 9.03 -9.54 -1.09 0
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57459 22395977 1 SN2O5C23H28 AB2C5D23E28 -184.89 4.06 -9.4 -0.43 0
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57460 22395980 1 FISN2O6C20H20 ABCD2E6F20G20 -245.19 2.97 -9.24 -1.2 0
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57461 22395982 1 FSN2O6C25H31 ABC2D6E25F31 -281.69 7.22 -8.56 -1.07 0
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57462 22395983 1 ClSN2O5C20H21 ABC2D5E20F21 -172.91 7.26 -9.51 -1.37 0
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57463 22395986 1 SN3O5C28H33 AB3C5D28E33 -163.79 3.02 -8.81 -1.02 0
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57464 22395987 1 F3N3O4C18H22 A3B3C4D18E22 -332.1 10.48 -9.06 -0.28 0
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57465 22395989 1 SCl2N3O5H21C22 AB2C3D5E21F22 -156.53 9.74 -9.89 -1.75 0
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57466 22395991 1 SCl2N3O6H29C32 AB2C3D6E29F32 -161.06 5.15 -9.36 -0.94 0
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57467 22395994 1 N3O6C27H31 A3B6C27D31 -208.86 1.21 -9.35 -0.95 0
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57468 22395996 1 SCl2N2O6C24H28 AB2C2D6E24F28 -252.31 4.3 -9.11 -1.15 0
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57469 22396001 1 SN2Cl4O5H18C20 AB2C4D5E18F20 -192.96 7.15 -9.4 -1.64 0
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57470 22396004 1 SF2N2O5H24C26 AB2C2D5E24F26 -236.34 8.1 -9.37 -1.32 0
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57471 22396007 1 SN3O6C21H21 AB3C6D21E21 -178.0 4.06 -9.13 -1.45 0
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57472 22396008 1 SN2O7C24H30 AB2C7D24E30 -254.65 9.23 -9.16 -0.52 0
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57473 22396009 1 SCl2N2O8C27H32 AB2C2D8E27F32 -290.49 2.01 -9.24 -0.99 0
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57474 22396012 1 SN3O7C25H29 AB3C7D25E29 -257.12 7.2 -9.04 -0.78 0
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57475 22396014 1 SCl2N3O7C25H27 AB2C3D7E25F27 -268.94 7.78 -9.08 -1.5 0
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57476 22396015 1 SN2O6C20H32 AB2C6D20E32 -249.71 7.86 -9.26 -0.76 0
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57477 22396016 1 FN2S2O6C23H27 AB2C2D6E23F27 -263.3 3.64 -8.8 -1.09 0
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57478 22396017 1 SCl2N2O5C22H24 AB2C2D5E22F24 -188.51 6.35 -9.75 -1.38 0
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57479 22396019 1 FCl2N2S2O5H17C18 AB2C2D2E5F17G18 -210.54 5.11 -9.65 -1.56 0
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57480 22396022 1 SN2O7C24H30 AB2C7D24E30 -258.55 9.96 -9.2 -1.16 0
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57481 22396023 1 N2S2O8C25H32 A2B2C8D25E32 -314.9 3.66 -8.62 -1.34 0
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57482 22396024 1 SF4N4O6H28C29 AB4C4D6E28F29 -401.55 10.91 -8.78 -1.56 0
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57483 22396026 1 SN2O5C20H22 AB2C5D20E22 -161.98 5.25 -9.76 -0.87 0
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57484 22396028 1 SCl2N3O7H19C20 AB2C3D7E19F20 -172.44 4.2 -9.98 -1.89 0
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57485 22396031 1 ICl2N2S2O6H17C19 AB2C2D2E6F17G19 -202.99 5.41 -9.46 -1.48 0
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57486 22396032 1 SF2N2O5C21H22 AB2C2D5E21F22 -263.62 8.23 -9.52 -0.81 0
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57487 22396033 1 SCl2N2O7C23H26 AB2C2D7E23F26 -246.04 5.32 -9.4 -1.43 0
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57488 22396035 1 FCl2N2S2O5H17C18 AB2C2D2E5F17G18 -213.13 2.93 -9.69 -1.72 0
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57489 22396036 1 SN4O6H30C31 AB4C6D30E31 -169.94 8.48 -8.81 -0.99 0
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57490 22396037 1 ClFN2S2O5H18C19 ABC2D2E5F18G19 -212.51 7.31 -9.44 -1.35 0
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57491 22396044 1 SCl2I2N2O6H18C20 AB2C2D2E6F18G20 -194.16 3.52 -9.16 -1.41 0
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57492 22396052 1 Cl2N2S2O5C14H16 A2B2C2D5E14F16 -200.87 7.78 -9.26 -1.39 0
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57493 22396062 1 SF3N3O6C30H30 AB3C3D6E30F30 -356.1 3.84 -8.8 -1.01 0
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57494 22396063 1 Cl2N3S3O5H15C16 A2B3C3D5E15F16 -144.04 11.92 -9.3 -2.08 0
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57495 22396068 1 SN2Cl3O5H19C20 AB2C3D5E19F20 -179.34 6.48 -9.44 -1.48 0
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57496 22396069 1 SN2F3O5C23H25 AB2C3D5E23F25 -333.92 7.23 -9.36 -1.21 0
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57497 22396078 1 SCl2N2O6C25H30 AB2C2D6E25F30 -252.35 8.09 -8.71 -1.36 0
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57498 22396103 1 SCl2N2O7C24H28 AB2C2D7E24F28 -261.12 4.7 -9.04 -1.18 0
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57499 22396104 2 NO2C9H12 AB2C9D12 -177.05 9.23 -9.81 -0.25 0
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57500 22396105 1 ClSN2O6C20H21 ABC2D6E20F21 -199.79 2.81 -9.38 -1.07 0
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57501 22396108 1 Cl2N2S2O5C16H20 A2B2C2D5E16F20 -206.24 5.73 -8.39 -1.47 0
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57502 22396109 1 SCl2N2O7C15H16 AB2C2D7E15F16 -286.26 6.42 -10.25 -1.58 0
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57503 22396111 1 O2N5C14H19 A2B5C14D19 -34.77 4.51 -9.26 -0.71 0
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57504 22396119 1 O4N5C13H17 A4B5C13D17 -89.62 2.4 -9.13 -0.57 0
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57505 22396545 2 NOC4H4 ABC4D4 -31.58 4.98 -11.02 -0.64 0
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57506 22400337 1 FN2O2C16H23 AB2C2D16E23 -133.46 2.27 -8.89 -0.08 0
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57507 22400338 1 FNO2C17H24 ABC2D17E24 -140.1 2.94 -8.94 -0.13 1
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57508 22400339 1 FNSO2C17H25 ABCD2E17F25 -133.01 8.87 0.0 0.0 0
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57509 22400346 1 BrNO2F3Cl4H7C15 ABC2D3E4F7G15 -182.46 0.6 -9.88 -1.35 0
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57510 22400347 1 ClNBr2O2F3H13C17 ABC2D2E3F13G17 -176.45 2.95 -9.47 -1.24 0
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57511 22400349 1 Cl2F3O3H15C22 A2B3C3D15E22 -194.71 5.09 -9.14 -0.97 0
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57512 22400357 1 O2Br3F4H15C19 A2B3C4D15E19 -220.28 5.43 -9.23 -0.98 0
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57513 22401398 1 ClSN3C10H12 ABC3D10E12 52.12 4.17 -9.21 -0.77 0
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57514 22401399 1 O2N6C29H32 A2B6C29D32 34.36 4.64 -9.06 -0.83 0
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57515 22401400 1 O4N6C35H40 A4B6C35D40 -59.56 4.55 -8.77 -0.65 0
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57516 22401401 2 ON3C16H19 AB3C16D19 29.59 4.83 -8.7 -0.65 0
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57517 22401402 1 O5N6H50C51 A5B6C50D51 -2.34 5.67 -8.74 -0.65 0
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57518 22401403 1 O2N6C29H32 A2B6C29D32 46.77 6.5 -8.65 -0.7 0
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57519 22401404 1 O2N6C29H32 A2B6C29D32 37.08 5.74 -9.1 -0.73 0
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57520 22401405 1 ON2H8C9 AB2C8D9 112.82 6.62 -8.85 -1.03 0
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57521 22401407 1 O5N6C36H44 A5B6C36D44 -111.41 2.6 -8.89 -0.63 0
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57522 22401409 1 O2N6C27H28 A2B6C27D28 52.06 2.91 -9.07 -0.66 0
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57523 22401592 1 NC12H17 AB12C17 -8.51 1.56 -8.19 0.7 1
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57524 22401904 1 NPC5O7H11 ABC5D7E11 -342.69 7.55 0.0 0.0 0
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57525 22402078 1 ON3C9H11 AB3C9D11 19.12 4.08 -8.9 -0.48 -1
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57526 22402302 1 O7C25H27 A7B25C27 -206.48 4.68 0.0 0.0 0
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57527 22402449 2 NO2H15C16 AB2C15D16 -66.25 4.45 -8.65 -0.13 0
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57528 22402632 1 N2O9C33H36 A2B9C33D36 -301.65 7.05 -8.59 -0.5 0
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57529 22405461 1 F3N3O3C20H22 A3B3C3D20E22 -243.65 6.84 -8.5 -0.73 0
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57530 22405464 1 F3O4N7C22H22 A3B4C7D22E22 -193.39 7.94 -9.49 -0.98 0