List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
272500 103744010 1 O4N5C12H13 A4B5C12D13 -10.22 7.5 -9.18 -0.95 0
272501 103744011 1 O4N5C12H13 A4B5C12D13 -7.47 4.56 -9.35 -1.25 0
272502 103744013 1 ClO2N5C12H14 AB2C5D12E14 4.09 4.38 -10.14 -1.34 0
272503 103744014 3 NOC3H5 ABC3D5 -74.15 5.87 -10.24 -0.44 0
272504 103744027 1 BrN3O3C12H12 AB3C3D12E12 -34.89 3.45 -9.27 -0.74 0
272505 103744037 1 FO2N3C12H12 AB2C3D12E12 -51.21 2.39 -9.81 -0.78 0
272506 103744066 2 ON2C5H6 AB2C5D6 12.18 3.66 -10.44 -0.65 0
272507 103744067 2 ON2C4H5 AB2C4D5 3.45 2.1 -10.7 -0.58 0
272508 103744070 1 O2N3C8H11 A2B3C8D11 -14.94 2.21 -10.04 -0.55 0
272509 103744089 1 O2N4C15H16 A2B4C15D16 9.41 2.38 -8.48 -0.61 0
272510 103744218 1 NO2C16H23 AB2C16D23 -64.2 1.88 -8.99 0.13 0
272511 103744219 1 NO2C16H23 AB2C16D23 -62.42 1.4 -8.86 0.05 0
272512 103744220 1 NO2C17H27 AB2C17D27 -103.63 3.71 -8.87 0.36 0
272513 103744221 1 NO2C17H27 AB2C17D27 -101.69 2.71 -8.74 0.19 0
272514 103744242 1 OCl2N2C12H12 AB2C2D12E12 -11.4 5.29 -9.26 -0.41 0
272515 103744306 1 O2N5C12H15 A2B5C12D15 14.02 5.92 -9.19 -0.52 0
272516 103744327 1 ON5H11C12 AB5C11D12 82.83 3.99 -9.2 -0.92 0
272517 103744375 1 SF2N3O3C11H11 AB2C3D3E11F11 -129.91 6.43 -9.46 -0.9 0
272518 103744380 1 SO3N6H8C9 AB3C6D8E9 80.95 3.5 -9.28 -1.56 0
272519 103744399 1 OSF3N4H9C12 ABC3D4E9F12 -89.68 5.53 -9.38 -1.15 0
272520 103744401 1 O4N5C12H13 A4B5C12D13 -5.53 2.55 -9.54 -1.43 0
272521 103744426 1 O3N4C10H10 A3B4C10D10 43.25 6.71 -9.31 -1.44 0
272522 103744427 1 BrFSN2O2C13H20 ABCD2E2F13G20 -109.51 5.29 -8.79 -1.13 0
272523 103744433 1 SN3O3C10H11 AB3C3D10E11 -28.19 5.13 -10.2 -0.71 0
272524 103744465 1 BrSN3O3C10H10 ABC3D3E10F10 -22.74 5.06 -9.31 -1.04 0
272525 103744477 1 O2N3C16H17 A2B3C16D17 25.68 3.19 -8.49 -0.42 0
272526 103744511 1 ON6C8H12 AB6C8D12 83.34 4.24 -9.6 -0.5 0
272527 103744532 1 ON3C14H19 AB3C14D19 20.76 3.0 -9.0 -0.42 0
272528 103744577 1 BrON3C11H12 ABC3D11E12 50.69 1.91 -9.62 -0.55 0
272529 103744578 1 OCl2N3C11H11 AB2C3D11E11 31.08 3.69 -9.49 -0.64 0
272530 103744579 1 FO2N3H14C15 AB2C3D14E15 -7.29 1.31 -8.95 -0.72 0
272531 103744580 1 OF3N3C12H12 AB3C3D12E12 -114.09 1.0 -9.8 -0.66 0
272532 103744586 1 OF3N3C12H12 AB3C3D12E12 -110.94 5.45 -9.61 -0.66 0
272533 103744604 1 OSN4C10H14 ABC4D10E14 47.39 3.54 -9.55 -0.57 0
272534 103744617 1 O2N3C13H17 A2B3C13D17 0.24 4.12 -8.69 -0.41 0
272535 103744621 1 ON5C9H13 AB5C9D13 56.9 2.43 -9.43 -0.44 0
272536 103744630 1 ON5C9H13 AB5C9D13 56.17 3.06 -9.24 -0.58 0
272537 103744660 1 N3O3C13H17 A3B3C13D17 -29.64 2.72 -8.36 -0.4 0
272538 103744778 1 O3N5C9H9 A3B5C9D9 47.83 4.69 -9.47 -1.34 0
272539 103744826 1 ON3C9H13 AB3C9D13 -3.35 5.47 -9.62 -0.13 0
272540 103744827 1 BrClN2S2O5H6C10 ABC2D2E5F6G10 -60.63 7.26 -9.31 -1.76 0
272541 103744881 1 ClFSN2O2H12C13 ABCD2E2F12G13 -87.47 6.91 -9.26 -1.22 0
272542 103744882 1 SCl2O2N3H9C13 AB2C2D3E9F13 -2.04 3.55 -9.86 -1.83 0
272543 103744883 1 ClSN2O3C9H13 ABC2D3E9F13 -101.95 5.69 -9.64 -0.76 0
272544 103744904 1 ClBr2N2O2S2H7C10 AB2C2D2E2F7G10 -8.02 6.1 -8.95 -1.62 0
272545 103744976 1 ClO2N3H8C11 AB2C3D8E11 -33.82 6.74 -9.3 -1.33 0
272546 103744977 1 ClF2N2O2H9C13 AB2C2D2E9F13 -132.57 1.17 -9.6 -0.9 0
272547 103744990 1 ClN2O2C16H17 AB2C2D16E17 -44.28 5.24 -9.28 -0.59 0
272548 103744991 1 ClON4H9C10 ABC4D9E10 31.6 2.68 -9.47 -0.84 0
272549 103744992 1 ClO3N4H7C10 AB3C4D7E10 5.88 2.53 -9.7 -1.32 0
272550 103745038 1 OCl2N3H7C10 AB2C3D7E10 3.84 1.89 -9.36 -1.0 0
272551 103745049 1 ClON4C11H11 ABC4D11E11 26.99 1.64 -9.75 -0.79 0
272552 103745094 1 SN2O2C11H14 AB2C2D11E14 -45.77 3.52 -8.68 -0.77 0
272553 103746130 1 ON3C15H21 AB3C15D21 -21.12 5.97 -8.88 -0.68 0
272554 103746464 1 ON4C12H22 AB4C12D22 -23.04 4.53 -9.37 0.63 0
272555 103746738 1 ON2C11H24 AB2C11D24 -87.58 3.62 -8.99 1.12 0
272556 103746768 1 ON2C10H22 AB2C10D22 -73.92 3.84 -8.93 1.06 0
272557 103746791 1 N4C13H24 A4B13C24 8.71 6.66 -9.25 0.82 0
272558 103746882 1 N2O5C14H18 A2B5C14D18 -121.25 5.49 -9.68 -1.59 0
272559 103746883 1 NF3O3C12H14 AB3C3D12E14 -275.59 5.09 -8.9 -0.18 0
272560 103746942 1 FON2C17H19 ABC2D17E19 -65.03 3.26 -9.38 -0.04 0
272561 103747059 1 BrOF2N2C13H15 ABC2D2E13F15 -115.0 4.0 -8.85 -1.15 0
272562 103747060 1 BrNF2O2C14H16 ABC2D2E14F16 -159.73 2.95 -9.56 -1.15 0
272563 103747109 1 NO2C17H31 AB2C17D31 -152.12 4.93 -9.6 1.34 0
272564 103747296 2 NOSC6H8 ABCD6E8 -76.3 7.11 -8.37 -0.49 0
272565 103747419 1 N2O3C16H18 A2B3C16D18 -96.29 3.26 -9.27 -0.54 0
272566 103747526 1 ION2H13C17 ABC2D13E17 43.46 2.57 -8.78 -1.25 0
272567 103747944 1 FCl2N3H10C11 AB2C3D10E11 -5.26 3.29 -8.89 -0.34 0
272568 103747979 1 N2S2O4H22C23 A2B2C4D22E23 -94.05 6.54 -9.13 -0.82 0
272569 103748007 1 OSN2C12H20 ABC2D12E20 -43.54 2.33 -9.04 -0.17 0
272570 103748025 1 OSN2C14H22 ABC2D14E22 -16.32 1.99 -8.98 -0.3 0
272571 103748077 1 BrNOC14H20 ABCD14E20 -34.57 1.88 -9.16 0.02 0
272572 103748127 1 INO2C14H20 ABC2D14E20 -77.22 3.51 -9.56 -1.06 0
272573 103748166 1 ON2C16H26 AB2C16D26 -35.16 3.47 -8.58 0.3 0
272574 103748192 1 ClSN2C11H17 ABC2D11E17 15.95 0.77 -8.87 -0.4 0