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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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135312 51850803 2 ClNOC14H15 ABCD14E15 -55.05 4.19 -9.29 -0.54 0
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135313 51850804 2 ClNOC14H15 ABCD14E15 -52.19 4.18 -9.32 -0.37 0
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135314 51850805 2 ClNOC14H15 ABCD14E15 -47.83 4.36 -9.41 -0.53 0
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135315 51850806 1 Cl2N2O2C25H30 A2B2C2D25E30 -80.94 2.22 -9.35 -0.44 0
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135316 51850807 1 Cl2N2O2C25H30 A2B2C2D25E30 -82.34 4.73 -9.43 -0.43 0
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135317 51850808 1 Cl2N2O2C27H32 A2B2C2D27E32 -74.71 4.71 -9.46 -0.42 0
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135318 51850809 1 Cl2N2O2C27H32 A2B2C2D27E32 -79.49 2.32 -9.35 -0.48 0
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135319 51850810 1 Cl2N2O2C29H38 A2B2C2D29E38 -96.24 5.55 -9.36 -0.18 0
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135320 51850931 1 N2O4C29H34 A2B4C29D34 -123.61 3.47 -8.77 -0.17 -1
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135321 51851159 1 N4O4C13H15 A4B4C13D15 -101.29 4.65 0.0 0.0 0
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135322 51851160 1 N4O4C13H16 A4B4C13D16 -123.2 3.46 -9.18 -0.53 -1
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135323 51851161 1 N4O4C13H15 A4B4C13D15 -89.22 3.91 0.0 0.0 0
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135324 51851162 1 N4O4C13H16 A4B4C13D16 -125.13 4.25 -9.4 -0.69 -1
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135325 51851287 1 O3N4C18H25 A3B4C18D25 -65.51 4.29 0.0 0.0 1
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135326 51851793 1 BrN2O3C20H28 AB2C3D20E28 -107.67 7.65 0.0 0.0 0
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135327 51851968 1 ClOC26H35 ABC26D35 -13.37 2.31 -9.53 -0.18 -1
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135328 51852324 1 FN3O3H17C19 AB3C3D17E19 -34.63 2.51 0.0 0.0 0
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135329 51852325 1 FN3O3H18C19 AB3C3D18E19 -69.39 7.59 -9.4 -0.4 0
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135330 51852339 1 N2S2O4H14C19 A2B2C4D14E19 -64.58 3.45 -8.67 -1.54 0
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135331 51852438 1 NO3C23H31 AB3C23D31 -99.93 4.04 -8.51 0.16 1
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135332 51852439 1 NO3C23H32 AB3C23D32 -81.99 7.89 0.0 0.0 1
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135333 51852506 1 IN2O3C17H28 AB2C3D17E28 -58.99 19.94 0.0 0.0 -1
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135334 51852507 1 SN2O4H11C17 AB2C4D11E17 -28.19 9.82 0.0 0.0 0
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135335 51852508 1 SN2O4H12C17 AB2C4D12E17 -42.76 4.08 -9.44 -1.27 0
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135336 51852509 1 ClN3O3C20H20 AB3C3D20E20 -85.24 2.72 -8.99 -0.3 1
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135337 51852520 1 NO3C18H22 AB3C18D22 -59.4 4.31 0.0 0.0 0
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135338 51852838 1 ClNS2O7H14C16 ABC2D7E14F16 -236.88 6.45 -9.33 -2.28 0
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135339 51853048 1 F3N3C18H22 A3B3C18D22 -134.57 5.45 -9.11 -0.73 0
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135340 51853462 1 SO2F3N5C14H20 AB2C3D5E14F20 -187.74 12.15 -9.55 -0.23 0
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135341 51853577 1 SO2F3N5C14H20 AB2C3D5E14F20 -182.15 11.13 -9.96 -0.15 0
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135342 51854019 1 ON6C24H28 AB6C24D28 52.78 6.83 -8.88 -0.56 0
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135343 51854393 2 ON3C12H14 AB3C12D14 30.88 5.33 -8.75 -0.63 0
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135344 51855127 1 ClON7C20H20 ABC7D20E20 94.15 1.72 -9.4 -1.99 1
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135345 51855771 1 ClSN3O3C20H21 ABC3D3E20F21 -38.55 4.33 0.0 0.0 0
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135346 51855888 1 ClNOF2H16C18 ABCD2E16F18 -106.0 3.45 -9.51 -0.36 0
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135347 51856366 1 NSO5C23H25 ABC5D23E25 -157.46 3.62 -9.41 -1.01 0
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135348 51856367 1 ClON2C18H19 ABC2D18E19 -18.97 5.04 -8.76 -0.05 0
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135349 51857447 1 N2O3C22H24 A2B3C22D24 -62.91 5.07 -8.78 -0.58 0
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135350 51857593 1 N3O3C15H23 A3B3C15D23 -118.42 5.96 -9.35 0.6 1
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135351 51857828 1 SN3O3C25H36 AB3C3D25E36 -93.88 6.91 0.0 0.0 0
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135352 51858396 2 NSO2C9H11 ABC2D9E11 -129.77 7.53 -8.49 -1.06 0
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135353 51858441 1 SN3O3C25H29 AB3C3D25E29 -90.2 4.5 -8.86 -0.72 0
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135354 51858467 1 N4O5H26C28 A4B5C26D28 -139.54 6.71 -9.25 -0.96 0
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135355 51858786 1 SN4O5C26H30 AB4C5D26E30 -97.18 8.23 -8.64 -1.25 0
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135356 51858787 1 SN4O5C26H30 AB4C5D26E30 -91.32 7.3 -8.6 -1.25 1
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135357 51858788 1 SO3N6C22H27 AB3C6D22E27 -1.06 5.88 0.0 0.0 0
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135358 51858791 1 SO3N4C19H22 AB3C4D19E22 -14.03 8.54 -9.21 -1.39 0
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135359 51859026 1 O2S3N4H18C20 A2B3C4D18E20 54.44 3.91 -8.96 -1.52 0
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135360 51859027 1 O2S3N4C22H22 A2B3C4D22E22 52.41 1.74 -8.68 -1.15 0
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135361 51859396 1 ClSO2N4H13C18 ABC2D4E13F18 64.16 9.54 -8.74 -1.52 0
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135362 51859902 1 N2O3C19H20 A2B3C19D20 -81.48 2.21 -8.37 -0.28 0
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135363 51860054 2 ClNOH8C9 ABCD8E9 -56.17 1.81 -8.98 -0.58 0
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135364 51860307 1 BrN2O2H17C18 AB2C2D17E18 -37.89 1.03 -8.6 -0.45 -1
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135365 51860815 1 N2S2O6C16H21 A2B2C6D16E21 -211.19 6.41 0.0 0.0 0
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135366 51860939 1 NSCl2O4C11H15 ABC2D4E11F15 -171.08 6.22 -9.6 -0.94 0
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135367 51861087 1 BrClSN2O3H14C19 ABCD2E3F14G19 -27.3 5.43 -9.19 -0.92 -1
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135368 51861557 3 NOC2H2 ABC2D2 -9.28 10.25 0.0 0.0 -1
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135369 51861681 1 O2S2N4H11C15 A2B2C4D11E15 85.56 4.55 0.0 0.0 0
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135370 51861870 1 SO3N4C18H24 AB3C4D18E24 -56.81 2.77 -8.57 -0.33 0
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135371 51862264 1 FSN2O5C19H25 ABC2D5E19F25 -252.54 2.26 -9.43 -0.6 0
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135372 51862687 1 N3O3C22H25 A3B3C22D25 -72.6 1.27 -8.75 -0.5 0
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135373 51862990 1 S2O3N4C23H24 A2B3C4D23E24 -23.25 5.73 -8.82 -0.56 0
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135374 51863176 1 N3O3S3C16H25 A3B3C3D16E25 -110.42 4.13 -9.09 -1.54 1
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135375 51863240 1 N2O2C22H23 A2B2C22D23 6.83 18.3 0.0 0.0 -2
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135376 51863299 2 NO3C11H16 AB3C11D16 -307.69 7.17 -9.59 -0.1 0
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135377 51863420 2 ClNO2C11H13 ABC2D11E13 -156.08 3.66 -8.37 -0.88 0
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135378 51863423 1 SO2N3H21C23 AB2C3D21E23 17.7 6.26 -8.56 -0.68 1
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135379 51863591 1 N2O2C12H21 A2B2C12D21 -64.15 6.76 0.0 0.0 0
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135380 51863631 1 N3O3C19H27 A3B3C19D27 -141.67 1.29 -9.37 0.09 0
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135381 51863632 1 N3O3C19H27 A3B3C19D27 -141.88 1.95 -9.22 0.22 0
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135382 51863633 1 ClN2S2O4C19H23 AB2C2D4E19F23 -132.09 2.49 -9.21 -1.14 1
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135383 51864541 1 FOSN2C20H26 ABCD2E20F26 -42.52 8.98 0.0 0.0 1
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135384 51864709 1 SN2O3C21H29 AB2C3D21E29 -68.51 2.7 0.0 0.0 0
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135385 51864710 1 SN2O3C21H28 AB2C3D21E28 -83.69 2.96 -8.49 -0.14 1
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135386 51865024 1 ClSO2N3C20H27 ABC2D3E20F27 -37.74 10.6 0.0 0.0 0
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135387 51865063 1 SO3N4C17H26 AB3C4D17E26 -115.5 2.47 -9.18 -0.36 0
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135388 51865187 1 SN3O3C23H23 AB3C3D23E23 -41.66 2.49 -8.79 -0.74 0
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135389 51865228 1 FSO3N5C23H28 ABC3D5E23F28 -153.18 2.34 -9.35 -1.25 0
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135390 51865451 1 Cl2N2O3H14C18 A2B2C3D14E18 -88.61 3.48 -9.32 -0.72 0
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135391 51865590 1 FN3O3C20H26 AB3C3D20E26 -186.46 2.4 -8.93 -0.18 0
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135392 51866641 1 SN2O4C20H26 AB2C4D20E26 -113.97 6.09 -8.75 -0.39 0
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135393 51866642 1 SN2O4C20H26 AB2C4D20E26 -114.41 5.9 -8.81 -0.44 0
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135394 51866643 1 SN2O5C21H26 AB2C5D21E26 -144.82 6.45 -8.82 -0.66 0
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135395 51866644 1 SN2O5C21H26 AB2C5D21E26 -144.0 5.78 -8.77 -0.6 0
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135396 51866680 1 SN3O4C22H29 AB3C4D22E29 -137.39 7.66 -8.78 -0.62 0
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135397 51866681 1 SN3O4C23H31 AB3C4D23E31 -139.11 6.64 -8.76 -0.58 0
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135398 51866682 1 SN3O4C23H31 AB3C4D23E31 -140.45 6.44 -8.76 -0.5 0
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135399 51866684 1 ClSN2O3C20H25 ABC2D3E20F25 -92.51 4.36 -8.88 -0.8 0
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135400 51866748 1 SN2O4C23H32 AB2C4D23E32 -134.09 6.33 -8.73 -0.34 0
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135401 51866891 1 ClON4C23H27 ABC4D23E27 26.39 5.02 -8.81 -0.72 0
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135402 51866984 1 SN3O4C24H31 AB3C4D24E31 -114.66 6.73 -9.42 -1.11 0
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135403 51867465 1 SO2N3C22H25 AB2C3D22E25 -22.27 2.28 -8.7 -1.08 0
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135404 51867466 1 SN2O3C23H24 AB2C3D23E24 -63.29 2.01 -8.71 0.0 0
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135405 51867511 1 N3O4C23H33 A3B4C23D33 -183.98 3.46 -9.01 -0.19 0
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135406 51867512 1 N3O6C24H25 A3B6C24D25 -213.64 2.68 -9.24 -0.8 0
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135407 51867534 1 SN2O2C19H24 AB2C2D19E24 -15.45 4.46 -9.21 -1.01 0
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135408 51867620 1 O2F3N4C15H23 A2B3C4D15E23 -222.91 11.61 -9.43 0.07 0
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135409 51867636 1 OF3N4C17H25 AB3C4D17E25 -182.36 8.17 -8.9 0.24 0
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135410 51868411 1 O2N3C23H31 A2B3C23D31 -73.42 4.68 -9.17 -0.83 0
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135411 51868412 1 O2N3C23H31 A2B3C23D31 -73.81 5.09 -9.18 -0.85 0