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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
316216 |
126630397 |
1 |
N3H33C49 |
A3B33C49 |
216.66 |
3.1 |
-8.07 |
-0.44 |
0 |
|
|
316217 |
126630400 |
1 |
N3H33C49 |
A3B33C49 |
217.5 |
3.18 |
-8.04 |
-0.5 |
0 |
|
|
316218 |
126630406 |
1 |
N3H33C49 |
A3B33C49 |
216.63 |
1.8 |
-8.1 |
-0.58 |
0 |
|
|
316221 |
126630412 |
1 |
N3H35C53 |
A3B35C53 |
234.61 |
0.74 |
-7.82 |
-0.72 |
0 |
|
|
316222 |
126630413 |
2 |
NH18C27 |
AB18C27 |
226.0 |
1.8 |
-7.91 |
-0.51 |
0 |
|
|
316223 |
126630414 |
1 |
N3H35C53 |
A3B35C53 |
233.87 |
1.66 |
-7.93 |
-0.53 |
0 |
|
|
316225 |
126630417 |
2 |
NH18C27 |
AB18C27 |
226.07 |
1.8 |
-7.93 |
-0.67 |
0 |
|
|
316226 |
126630418 |
1 |
N3H33C49 |
A3B33C49 |
220.34 |
0.63 |
-8.15 |
-0.41 |
0 |
|
|
316227 |
126630420 |
1 |
N3H37C57 |
A3B37C57 |
249.51 |
0.93 |
-7.88 |
-0.78 |
0 |
|
|
316228 |
126630421 |
1 |
N3H35C53 |
A3B35C53 |
234.02 |
3.36 |
-7.94 |
-0.54 |
0 |
|
|
316232 |
126630425 |
1 |
O5N6C29H40 |
A5B6C29D40 |
-180.29 |
3.2 |
-9.39 |
-0.96 |
0 |
|
|
316233 |
126630426 |
1 |
N3H37C57 |
A3B37C57 |
251.45 |
2.13 |
-7.85 |
-0.64 |
0 |
|
|
316234 |
126630427 |
1 |
N3H37C57 |
A3B37C57 |
248.34 |
3.3 |
-7.91 |
-0.62 |
0 |
|
|
316235 |
126630428 |
1 |
N3H35C53 |
A3B35C53 |
233.67 |
2.49 |
-7.82 |
-0.48 |
0 |
|
|
316236 |
126630429 |
1 |
NO4C22H27 |
AB4C22D27 |
-153.67 |
2.23 |
-9.37 |
-0.9 |
0 |
|
|
316238 |
126630431 |
1 |
N11H103C166 |
A11B103C166 |
786.27 |
4.23 |
-7.8 |
-1.22 |
0 |
|
|
316239 |
126630432 |
3 |
N4H34C55 |
A4B34C55 |
799.27 |
1.24 |
-7.84 |
-1.43 |
0 |
|
|
316240 |
126630433 |
1 |
N11H103C166 |
A11B103C166 |
783.88 |
2.65 |
-7.9 |
-1.21 |
0 |
|
|
316241 |
126630434 |
1 |
N11H103C166 |
A11B103C166 |
784.09 |
2.17 |
-7.87 |
-1.15 |
0 |
|
|
316243 |
126630436 |
3 |
N4H34C55 |
A4B34C55 |
797.09 |
2.78 |
-7.89 |
-1.35 |
0 |
|
|
316245 |
126630440 |
1 |
N11H105C170 |
A11B105C170 |
804.93 |
2.74 |
-7.86 |
-1.46 |
0 |
|
|
316246 |
126630441 |
1 |
N11H103C166 |
A11B103C166 |
783.1 |
3.41 |
-7.9 |
-1.08 |
0 |
|
|
316247 |
126630442 |
1 |
N11H105C170 |
A11B105C170 |
803.01 |
1.09 |
-7.82 |
-1.42 |
0 |
|
|
316248 |
126630443 |
1 |
N11H105C170 |
A11B105C170 |
803.04 |
2.06 |
-7.9 |
-1.4 |
0 |
|
|
316249 |
126630444 |
1 |
N11H105C170 |
A11B105C170 |
801.85 |
3.14 |
-7.88 |
-1.36 |
0 |
|
|
316250 |
126630447 |
1 |
N11H105C170 |
A11B105C170 |
801.05 |
3.46 |
-7.9 |
-1.41 |
0 |
|
|
316251 |
126630449 |
1 |
N11H105C170 |
A11B105C170 |
802.95 |
2.02 |
-7.88 |
-1.37 |
0 |
|
|
316253 |
126630467 |
1 |
N11H105C170 |
A11B105C170 |
793.89 |
3.21 |
-8.05 |
-1.36 |
0 |
|
|
316255 |
126630474 |
1 |
N10H106C171 |
A10B106C171 |
794.57 |
3.99 |
-8.05 |
-1.54 |
0 |
|
|
316256 |
126630477 |
1 |
N11H103C166 |
A11B103C166 |
781.96 |
2.35 |
-8.04 |
-1.25 |
0 |
|
|
316259 |
126630492 |
1 |
NO2C8H17 |
AB2C8D17 |
-114.68 |
2.65 |
-9.74 |
0.79 |
0 |
|
|
316261 |
126630499 |
1 |
N11H91C148 |
A11B91C148 |
712.66 |
0.74 |
-8.08 |
-0.99 |
0 |
|
|
316263 |
126630503 |
1 |
N11H105C170 |
A11B105C170 |
835.16 |
2.54 |
-7.79 |
-1.32 |
0 |
|
|
316264 |
126630505 |
1 |
N11H103C166 |
A11B103C166 |
796.12 |
3.36 |
-7.95 |
-1.28 |
0 |
|
|
316265 |
126630510 |
1 |
N11H105C170 |
A11B105C170 |
802.75 |
2.73 |
-7.81 |
-1.3 |
0 |
|
|
316266 |
126630518 |
1 |
N11H105C170 |
A11B105C170 |
798.63 |
3.56 |
-7.99 |
-1.37 |
0 |
|
|
316268 |
126630524 |
1 |
N11H103C166 |
A11B103C166 |
782.2 |
3.13 |
-7.99 |
-1.06 |
0 |
|
|
316270 |
126630536 |
1 |
N11H99C160 |
A11B99C160 |
756.46 |
0.78 |
-8.05 |
-1.3 |
0 |
|
|
316271 |
126630556 |
1 |
N11H105C170 |
A11B105C170 |
860.27 |
15.72 |
-6.67 |
-2.23 |
0 |
|
|
316272 |
126630557 |
1 |
N11H103C166 |
A11B103C166 |
780.29 |
2.81 |
-8.12 |
-1.24 |
0 |
|
|
316275 |
126630561 |
1 |
N11H103C166 |
A11B103C166 |
852.58 |
1.59 |
-7.92 |
-0.87 |
0 |
|
|
316276 |
126630562 |
1 |
N11H105C170 |
A11B105C170 |
798.18 |
3.89 |
-8.16 |
-1.48 |
0 |
|
|
316277 |
126630563 |
3 |
N4H34C55 |
A4B34C55 |
885.21 |
3.06 |
-7.29 |
-1.32 |
0 |
|
|
316279 |
126630565 |
1 |
N11H105C170 |
A11B105C170 |
797.01 |
6.79 |
-7.9 |
-1.37 |
0 |
|
|
316280 |
126630566 |
1 |
N11H103C166 |
A11B103C166 |
780.24 |
3.62 |
-8.11 |
-1.28 |
0 |
|
|
316281 |
126630567 |
1 |
N4O6C25H42 |
A4B6C25D42 |
-274.05 |
3.87 |
-9.19 |
0.25 |
0 |
|
|
316282 |
126630568 |
1 |
N11H105C170 |
A11B105C170 |
803.51 |
2.68 |
-8.05 |
-1.46 |
0 |
|
|
316288 |
126630580 |
1 |
N11H91C148 |
A11B91C148 |
714.5 |
3.59 |
-7.99 |
-0.91 |
0 |
|
|
316289 |
126630581 |
3 |
N4H30C49 |
A4B30C49 |
729.89 |
2.72 |
-8.06 |
-1.0 |
0 |
|
|
316290 |
126630582 |
1 |
N11H105C170 |
A11B105C170 |
897.11 |
10.39 |
-7.84 |
-1.49 |
0 |
|
|
316291 |
126630583 |
2 |
N2O3C10H17 |
A2B3C10D17 |
-273.89 |
6.0 |
-9.18 |
0.12 |
0 |
|
|
316292 |
126630584 |
1 |
N11H97C158 |
A11B97C158 |
759.01 |
1.3 |
-7.93 |
-1.28 |
0 |
|
|
316293 |
126630585 |
1 |
N10H106C171 |
A10B106C171 |
785.57 |
3.71 |
-7.93 |
-1.08 |
0 |
|
|
316294 |
126630587 |
1 |
N10H106C171 |
A10B106C171 |
789.75 |
3.79 |
-7.86 |
-1.09 |
0 |
|
|
316295 |
126630589 |
1 |
N11H105C170 |
A11B105C170 |
804.8 |
1.28 |
-7.89 |
-1.43 |
0 |
|
|
316296 |
126630590 |
3 |
N4H30C49 |
A4B30C49 |
729.96 |
2.74 |
-8.24 |
-1.2 |
0 |
|
|
316297 |
126630591 |
1 |
N11H105C170 |
A11B105C170 |
813.88 |
4.45 |
-7.79 |
-1.46 |
0 |
|
|
316298 |
126630592 |
1 |
N11H105C170 |
A11B105C170 |
816.1 |
6.12 |
-7.94 |
-1.46 |
0 |
|
|
316299 |
126630595 |
1 |
N11H97C158 |
A11B97C158 |
757.67 |
5.3 |
-7.97 |
-1.29 |
0 |
|
|
316300 |
126630596 |
1 |
N12H94C153 |
A12B94C153 |
752.02 |
3.05 |
-7.82 |
-1.08 |
0 |
|
|
316301 |
126630597 |
1 |
N11H103C166 |
A11B103C166 |
782.73 |
2.38 |
-7.92 |
-1.15 |
0 |
|
|
316302 |
126630598 |
1 |
NC18H19 |
AB18C19 |
126.05 |
2.7 |
-8.01 |
-0.18 |
0 |
|
|
316305 |
126630602 |
1 |
N12H94C153 |
A12B94C153 |
759.24 |
1.84 |
-7.92 |
-1.24 |
0 |
|
|
316307 |
126630605 |
1 |
N11H95C154 |
A11B95C154 |
740.59 |
2.78 |
-7.75 |
-1.02 |
0 |
|
|
316308 |
126630606 |
1 |
N11H93C152 |
A11B93C152 |
737.91 |
4.85 |
-7.91 |
-1.34 |
0 |
|
|
316309 |
126630609 |
1 |
N11H103C166 |
A11B103C166 |
794.67 |
5.67 |
-7.93 |
-1.29 |
0 |
|
|
316311 |
126630612 |
1 |
N11H103C166 |
A11B103C166 |
779.77 |
5.06 |
-8.13 |
-1.34 |
0 |
|
|
316312 |
126630614 |
1 |
N11H103C166 |
A11B103C166 |
784.9 |
5.89 |
-8.09 |
-1.19 |
0 |
|
|
316313 |
126630615 |
1 |
N11H103C166 |
A11B103C166 |
793.55 |
2.29 |
-8.17 |
-1.32 |
0 |
|
|
316314 |
126630616 |
1 |
SO5N7C32H39 |
AB5C7D32E39 |
-102.76 |
11.78 |
-8.77 |
-1.09 |
0 |
|
|
316315 |
126630618 |
3 |
N4H34C55 |
A4B34C55 |
839.95 |
4.73 |
-8.06 |
-1.48 |
0 |
|
|
316319 |
126630639 |
1 |
N11H103C166 |
A11B103C166 |
784.01 |
5.34 |
-7.84 |
-1.2 |
0 |
|
|
316320 |
126630641 |
1 |
N11H103C166 |
A11B103C166 |
780.86 |
0.39 |
-7.86 |
-1.21 |
0 |
|
|
316321 |
126630642 |
1 |
N11H103C166 |
A11B103C166 |
798.9 |
3.76 |
-8.0 |
-1.02 |
0 |
|
|
316323 |
126630648 |
3 |
N4H34C55 |
A4B34C55 |
795.97 |
2.42 |
-7.96 |
-1.42 |
0 |
|
|
316324 |
126630649 |
1 |
N10H106C171 |
A10B106C171 |
793.35 |
4.11 |
-7.92 |
-1.07 |
0 |
|
|
316325 |
126630653 |
1 |
N11H103C166 |
A11B103C166 |
819.31 |
3.22 |
-8.0 |
-1.1 |
0 |
|
|
316331 |
126630677 |
1 |
N11H107C173 |
A11B107C173 |
819.55 |
3.12 |
-7.93 |
-1.15 |
0 |
|
|
316333 |
126630680 |
1 |
N11H103C166 |
A11B103C166 |
802.86 |
1.83 |
-8.02 |
-1.27 |
0 |
|
|
316334 |
126630681 |
1 |
N11H99C160 |
A11B99C160 |
761.88 |
2.51 |
-7.94 |
-0.88 |
0 |
|
|
316335 |
126630683 |
2 |
N6H52C83 |
A6B52C83 |
916.64 |
12.07 |
-7.01 |
-2.17 |
0 |
|
|
316336 |
126630686 |
6 |
NH10C14 |
AB10C14 |
357.61 |
1.35 |
-8.41 |
-1.5 |
0 |
|
|
316338 |
126630704 |
1 |
N5H63C89 |
A5B63C89 |
344.04 |
4.46 |
-8.07 |
-1.36 |
0 |
|
|
316339 |
126630733 |
1 |
N5H61C85 |
A5B61C85 |
488.65 |
4.23 |
-7.93 |
-1.28 |
0 |
|
|
316341 |
126630750 |
1 |
N5H63C89 |
A5B63C89 |
360.69 |
3.71 |
-8.29 |
-1.44 |
0 |
|
|
316342 |
126630757 |
1 |
S3N5H45C80 |
A3B5C45D80 |
403.07 |
3.38 |
-8.27 |
-1.48 |
0 |
|
|
316344 |
126630759 |
3 |
SN2H14C25 |
AB2C14D25 |
399.44 |
2.55 |
-8.36 |
-1.4 |
0 |
|
|
316347 |
126630769 |
1 |
S3N5H43C76 |
A3B5C43D76 |
380.89 |
2.23 |
-7.98 |
-1.16 |
0 |
|
|
316348 |
126630772 |
6 |
NH10C14 |
AB10C14 |
341.17 |
2.35 |
-8.05 |
-1.44 |
0 |
|
|
316349 |
126630773 |
1 |
N5H63C89 |
A5B63C89 |
360.3 |
2.34 |
-8.27 |
-1.47 |
0 |
|
|
316350 |
126630774 |
6 |
NH10C14 |
AB10C14 |
341.94 |
0.57 |
-8.1 |
-1.46 |
0 |
|
|
316351 |
126630775 |
1 |
N5H31C43 |
A5B31C43 |
210.49 |
1.59 |
-8.36 |
-0.89 |
0 |
|
|
316352 |
126630776 |
6 |
NH10C14 |
AB10C14 |
357.59 |
2.98 |
-8.32 |
-1.51 |
0 |
|
|
316353 |
126630780 |
1 |
N5H63C89 |
A5B63C89 |
345.87 |
4.44 |
-7.99 |
-1.44 |
0 |
|
|
316355 |
126630787 |
1 |
N5H63C89 |
A5B63C89 |
349.12 |
2.02 |
-7.94 |
-1.47 |
0 |
|
|
316356 |
126630788 |
6 |
NH10C14 |
AB10C14 |
355.57 |
1.24 |
-8.19 |
-1.27 |
0 |
|
|
316357 |
126630793 |
1 |
N5H63C89 |
A5B63C89 |
358.72 |
4.2 |
-8.32 |
-1.48 |
0 |
|
|
316360 |
126630800 |
6 |
NH10C14 |
AB10C14 |
348.15 |
1.19 |
-8.08 |
-1.35 |
0 |
|
|
316362 |
126630803 |
1 |
S3N5H45C80 |
A3B5C45D80 |
392.43 |
1.24 |
-8.16 |
-1.47 |
0 |
|
|
316363 |
126630804 |
1 |
S3N5H45C80 |
A3B5C45D80 |
391.39 |
2.98 |
-8.17 |
-1.48 |
0 |