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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
910 |
3518 |
2 |
N2C5H11 |
A2B5C11 |
2.02 |
1.1 |
-8.51 |
1.2 |
0 |
|
|
911 |
3519 |
1 |
OCl2N3C9H9 |
AB2C3D9E9 |
-27.55 |
2.81 |
-9.51 |
-0.24 |
0 |
|
|
912 |
3520 |
1 |
CN3H5 |
AB3C5 |
16.41 |
2.5 |
-9.81 |
1.1 |
0 |
|
|
913 |
3523 |
1 |
P3N5C10O13H14 |
A3B5C10D13E14 |
-670.81 |
14.89 |
-8.96 |
-1.04 |
0 |
|
|
914 |
3524 |
1 |
PSN5O6C10H12 |
ABC5D6E10F12 |
-247.77 |
15.34 |
-9.44 |
-0.65 |
0 |
|
|
915 |
3525 |
1 |
PN5O8C10H14 |
AB5C8D10E14 |
-343.35 |
8.26 |
-9.4 |
-0.54 |
0 |
|
|
916 |
3527 |
2 |
O3C19H25 |
A3B19C25 |
-245.49 |
2.97 |
-9.13 |
-1.11 |
0 |
|
|
917 |
3529 |
1 |
O6C43H58 |
A6B43C58 |
-244.2 |
1.59 |
-9.1 |
-1.08 |
0 |
|
|
918 |
3531 |
2 |
O3C19H25 |
A3B19C25 |
-239.84 |
2.96 |
-9.05 |
-1.13 |
0 |
|
|
919 |
3532 |
1 |
NO2C6H9 |
AB2C6D9 |
-75.7 |
5.42 |
-9.61 |
-0.35 |
0 |
|
|
920 |
3533 |
1 |
SO2N3C8H17 |
AB2C3D8E17 |
-90.99 |
3.46 |
-9.07 |
0.27 |
0 |
|
|
921 |
3534 |
1 |
OSN5C18H19 |
ABC5D18E19 |
42.37 |
3.78 |
-8.46 |
-0.58 |
0 |
|
|
922 |
3536 |
1 |
S2O3N5H15C21 |
A2B3C5D15E21 |
23.55 |
6.95 |
-8.88 |
-1.38 |
0 |
|
|
923 |
3538 |
1 |
O2N3H15C17 |
A2B3C15D17 |
18.68 |
4.23 |
-8.37 |
-0.65 |
0 |
|
|
924 |
3539 |
1 |
O2N3C17H17 |
A2B3C17D17 |
0.64 |
2.36 |
-8.06 |
-0.21 |
0 |
|
|
925 |
3541 |
1 |
BrSO2N3C20H20 |
ABC2D3E20F20 |
16.49 |
7.27 |
-9.31 |
-1.34 |
0 |
|
|
926 |
3542 |
1 |
SO2N3C14H17 |
AB2C3D14E17 |
-31.61 |
5.07 |
-8.89 |
-1.41 |
0 |
|
|
927 |
3543 |
1 |
N7C23H31 |
A7B23C31 |
56.07 |
2.52 |
-8.34 |
-0.01 |
0 |
|
|
928 |
3544 |
1 |
SO2N3C11H13 |
AB2C3D11E13 |
-21.32 |
7.15 |
-9.78 |
-1.37 |
0 |
|
|
929 |
3545 |
1 |
SO2N3C13H15 |
AB2C3D13E15 |
-18.16 |
4.91 |
-9.22 |
-1.4 |
0 |
|
|
930 |
3546 |
1 |
SO2N5C12H15 |
AB2C5D12E15 |
-6.92 |
5.86 |
-9.58 |
-1.31 |
0 |
|
|
931 |
3547 |
1 |
SO2N3C14H17 |
AB2C3D14E17 |
-27.84 |
4.77 |
-9.12 |
-1.39 |
0 |
|
|
932 |
3548 |
1 |
SN2C15H18 |
AB2C15D18 |
39.71 |
4.16 |
-8.86 |
-1.01 |
0 |
|
|
933 |
3549 |
1 |
BrN2O5C17H17 |
AB2C5D17E17 |
-161.52 |
3.92 |
-9.45 |
-0.69 |
0 |
|
|
934 |
3550 |
1 |
NaO15C47H79 |
AB15C47D79 |
-855.5 |
12.92 |
-8.82 |
1.37 |
0 |
|
|
935 |
3551 |
1 |
O15C47H80 |
A15B47C80 |
-778.18 |
4.09 |
-9.36 |
0.66 |
0 |
|
|
936 |
3552 |
1 |
NSCl2O4H5C7 |
ABC2D4E5F7 |
-81.99 |
1.53 |
-10.02 |
-2.01 |
0 |
|
|
937 |
3553 |
1 |
ClFO5C24H32 |
ABC5D24E32 |
-300.49 |
7.89 |
-9.74 |
-0.55 |
0 |
|
|
938 |
3554 |
1 |
S3O6N7C37H49 |
A3B6C7D37E49 |
-217.7 |
6.95 |
-8.67 |
-0.68 |
0 |
|
|
939 |
3555 |
1 |
S3N7O7C37H49 |
A3B7C7D37E49 |
-248.18 |
1.72 |
-8.52 |
-0.44 |
0 |
|
|
940 |
3556 |
1 |
S3O12C29H49 |
A3B12C29D49 |
-391.46 |
4.06 |
0.0 |
0.0 |
-3 |
|
|
941 |
3557 |
1 |
S3O12C29H52 |
A3B12C29D52 |
-590.28 |
6.23 |
-10.44 |
-1.21 |
0 |
|
|
942 |
3558 |
1 |
Br2Cl3C10H15 |
A2B3C10D15 |
-59.39 |
1.77 |
-10.32 |
-0.71 |
0 |
|
|
943 |
3559 |
1 |
ClFNO2C21H23 |
ABCD2E21F23 |
-104.71 |
2.77 |
-9.04 |
-0.79 |
0 |
|
|
944 |
3560 |
1 |
BrF2O7C25H29 |
AB2C7D25E29 |
-392.08 |
4.77 |
-10.1 |
-0.97 |
0 |
|
|
945 |
3563 |
1 |
BrFN2O2H14C17 |
ABC2D2E14F17 |
-45.72 |
3.07 |
-9.5 |
-0.62 |
0 |
|
|
946 |
3564 |
1 |
ON2C13H14 |
AB2C13D14 |
4.75 |
3.16 |
-8.2 |
-0.21 |
0 |
|
|
947 |
3566 |
1 |
ON2H12C13 |
AB2C12D13 |
31.13 |
6.27 |
-7.84 |
-0.9 |
0 |
|
|
948 |
3567 |
1 |
NO9C28H37 |
AB9C28D37 |
-355.49 |
4.58 |
-8.52 |
0.04 |
0 |
|
|
949 |
3568 |
2 |
O4C8H9 |
A4B8C9 |
-298.93 |
5.28 |
-8.8 |
-0.53 |
0 |
|
|
950 |
3570 |
1 |
O2N3H15C22 |
A2B3C15D22 |
6.93 |
6.89 |
-8.37 |
-1.44 |
0 |
|
|
951 |
3574 |
4 |
OC18H29 |
AB18C29 |
-276.69 |
2.88 |
-8.05 |
-0.12 |
0 |
|
|
952 |
3575 |
1 |
O2C15H20 |
A2B15C20 |
-83.2 |
5.05 |
-9.14 |
-0.26 |
0 |
|
|
953 |
3577 |
1 |
FeN4O6C49H56 |
AB4C6D49E56 |
-151.73 |
12.17 |
-8.25 |
-1.82 |
0 |
|
|
954 |
3578 |
1 |
N4O6C49H58 |
A4B6C49D58 |
-59.0 |
10.26 |
-8.41 |
-1.3 |
0 |
|
|
955 |
3579 |
1 |
FeN4O4C34H34 |
AB4C4D34E34 |
-30.5 |
14.21 |
-7.3 |
-1.56 |
-4 |
|
|
956 |
3581 |
1 |
FeN4O10H32C34 |
AB4C10D32E34 |
-170.01 |
7.9 |
-7.34 |
-1.53 |
0 |
|
|
957 |
3583 |
2 |
N2O2C15H23 |
A2B2C15D23 |
-177.13 |
6.46 |
-8.09 |
-0.07 |
0 |
|
|
958 |
3584 |
1 |
N4O4C29H44 |
A4B4C29D44 |
-180.81 |
7.65 |
-8.2 |
-0.32 |
0 |
|
|
959 |
3585 |
2 |
NO2C12H17 |
AB2C12D17 |
-42.45 |
0.38 |
-4.51 |
-0.12 |
2 |
|
|
960 |
3586 |
4 |
OC5H8 |
AB5C8 |
-155.05 |
4.23 |
-9.64 |
0.48 |
0 |
|
|
961 |
3588 |
1 |
N3O6C28H31 |
A3B6C28D31 |
-175.26 |
3.87 |
-10.5 |
-1.2 |
0 |
|
|
962 |
3589 |
1 |
H5Cl7C10 |
A5B7C10 |
-0.07 |
3.2 |
-9.76 |
-0.65 |
0 |
|
|
963 |
3590 |
1 |
NOC8H19 |
ABC8D19 |
-89.48 |
3.18 |
-9.32 |
2.9 |
0 |
|
|
964 |
3592 |
1 |
NO5C21H23 |
AB5C21D23 |
-166.66 |
2.66 |
-8.74 |
-0.06 |
0 |
|
|
965 |
3593 |
2 |
O3H7C8 |
A3B7C8 |
-213.63 |
4.68 |
-8.94 |
-0.62 |
0 |
|
|
966 |
3594 |
1 |
O15C28H34 |
A15B28C34 |
-611.43 |
5.24 |
-8.98 |
-0.65 |
0 |
|
|
967 |
3595 |
1 |
SN3O4C19H22 |
AB3C4D19E22 |
-72.36 |
4.07 |
0.0 |
0.0 |
-1 |
|
|
968 |
3596 |
1 |
SN3O4C19H23 |
AB3C4D19E23 |
-135.52 |
5.64 |
-9.57 |
-0.52 |
0 |
|
|
969 |
3597 |
1 |
O6C29H44 |
A6B29C44 |
-314.82 |
2.95 |
-9.47 |
0.19 |
0 |
|
|
970 |
3598 |
1 |
O2Cl6H6C13 |
A2B6C6D13 |
-92.24 |
0.45 |
-9.29 |
-0.95 |
0 |
|
|
971 |
3600 |
1 |
NPO4C21H47 |
ABC4D21E47 |
-235.55 |
3.96 |
0.0 |
0.0 |
1 |
|
|
972 |
3601 |
2 |
NC18H21 |
AB18C21 |
116.57 |
15.84 |
-6.17 |
-1.33 |
2 |
|
|
973 |
3602 |
1 |
NOSiC20H33 |
ABCD20E33 |
-106.63 |
1.6 |
-8.38 |
0.37 |
0 |
|
|
974 |
3605 |
1 |
SP3N7O17C27H46 |
AB3C7D17E27F46 |
-895.59 |
1.29 |
-9.26 |
-0.72 |
0 |
|
|
975 |
3607 |
3 |
NC7H15 |
AB7C15 |
-66.88 |
2.3 |
-8.3 |
2.61 |
0 |
|
|
976 |
3608 |
1 |
N2O3C12H16 |
A2B3C12D16 |
-133.75 |
2.05 |
-9.86 |
-0.59 |
0 |
|
|
977 |
3609 |
2 |
NO3C11H16 |
AB3C11D16 |
-238.5 |
5.55 |
-8.78 |
-0.12 |
0 |
|
|
978 |
3611 |
2 |
OC5H6 |
AB5C6 |
-15.49 |
3.97 |
-9.34 |
-1.06 |
0 |
|
|
979 |
3612 |
1 |
SN13O15C46H77 |
AB13C15D46E77 |
-706.74 |
11.94 |
-8.75 |
-0.37 |
0 |
|
|
980 |
3613 |
1 |
O5H10C13 |
A5B10C13 |
-137.72 |
7.07 |
-9.06 |
-1.21 |
0 |
|
|
981 |
3614 |
1 |
N3C6H11 |
A3B6C11 |
26.28 |
4.1 |
-9.03 |
0.8 |
0 |
|
|
982 |
3616 |
2 |
NOC5H10 |
ABC5D10 |
-128.51 |
1.26 |
-9.74 |
1.21 |
0 |
|
|
984 |
3618 |
1 |
NSO4H19C22 |
ABC4D19E22 |
-89.49 |
2.84 |
-9.46 |
-0.96 |
0 |
|
|
985 |
3620 |
1 |
NO2C7H7 |
AB2C7D7 |
-36.23 |
10.41 |
-9.98 |
-1.49 |
0 |
|
|
986 |
3621 |
1 |
NO2C7H8 |
AB2C7D8 |
-57.53 |
4.37 |
0.0 |
0.0 |
1 |
|
|
987 |
3624 |
1 |
N3H20C21 |
A3B20C21 |
69.06 |
2.98 |
0.0 |
0.0 |
1 |
|
|
988 |
3626 |
1 |
O2N4C7H16 |
A2B4C7D16 |
-86.13 |
4.11 |
-9.4 |
0.74 |
0 |
|
|
989 |
3627 |
1 |
ClN2C19H23 |
AB2C19D23 |
43.07 |
3.43 |
-8.78 |
-0.06 |
0 |
|
|
990 |
3628 |
1 |
NO9C29H39 |
AB9C29D39 |
-362.9 |
1.47 |
-8.61 |
-0.08 |
0 |
|
|
991 |
3630 |
1 |
ON2C15H20 |
AB2C15D20 |
2.93 |
8.1 |
-8.4 |
-0.47 |
0 |
|
|
992 |
3634 |
1 |
SN2O2C20H24 |
AB2C2D20E24 |
-45.38 |
4.32 |
-8.27 |
-0.78 |
0 |
|
|
993 |
3635 |
1 |
SN2O2C21H26 |
AB2C2D21E26 |
-55.13 |
3.83 |
-8.16 |
-0.63 |
0 |
|
|
994 |
3639 |
1 |
ClS2N3O4C7H8 |
AB2C3D4E7F8 |
-128.9 |
7.04 |
-9.93 |
-1.07 |
0 |
|
|
995 |
3643 |
1 |
O8C25H34 |
A8B25C34 |
-375.76 |
0.67 |
-9.8 |
-0.69 |
0 |
|
|
996 |
3645 |
1 |
PO8C21H31 |
AB8C21D31 |
-433.94 |
6.55 |
-9.77 |
-0.91 |
0 |
|
|
997 |
3646 |
1 |
NO3C12H15 |
AB3C12D15 |
-81.94 |
1.7 |
-8.52 |
0.19 |
0 |
|
|
998 |
3648 |
1 |
NO3C17H19 |
AB3C17D19 |
-88.04 |
5.68 |
-8.53 |
0.0 |
0 |
|
|
999 |
3649 |
2 |
NOC10H13 |
ABC10D13 |
-54.57 |
4.9 |
-8.72 |
-0.68 |
0 |
|
|
1000 |
3651 |
1 |
NOC9H13 |
ABC9D13 |
-35.64 |
1.17 |
-8.83 |
0.07 |
0 |
|
|
1001 |
3653 |
1 |
O4C27H40 |
A4B27C40 |
-225.83 |
2.72 |
-9.84 |
-0.06 |
0 |
|
|
1002 |
3654 |
1 |
ON4C16H16 |
AB4C16D16 |
53.46 |
2.48 |
-9.39 |
-0.78 |
0 |
|
|
1003 |
3655 |
1 |
ON2C13H14 |
AB2C13D14 |
-19.23 |
1.85 |
-8.6 |
-0.45 |
0 |
|
|
1004 |
3656 |
1 |
SN2O4C12H18 |
AB2C4D12E18 |
-165.81 |
3.87 |
-10.08 |
-0.71 |
0 |
|
|
1005 |
3657 |
1 |
CN2O2H4 |
AB2C2D4 |
-53.86 |
3.22 |
-10.55 |
0.03 |
0 |
|
|
1006 |
3658 |
1 |
ClN2O2C21H27 |
AB2C2D21E27 |
-44.55 |
2.27 |
-8.9 |
-0.21 |
0 |
|
|
1007 |
3659 |
1 |
N3O13C20H37 |
A3B13C20D37 |
-580.35 |
6.14 |
-9.39 |
-0.05 |
0 |
|
|
1008 |
3661 |
1 |
NO3C17H23 |
AB3C17D23 |
-122.34 |
2.97 |
-8.87 |
0.05 |
0 |
|
|
1009 |
3662 |
1 |
O4C35H52 |
A4B35C52 |
-190.42 |
4.7 |
-8.8 |
-0.28 |
0 |
|
|
1010 |
3663 |
2 |
O4H8C15 |
A4B8C15 |
-270.21 |
0.2 |
-8.38 |
-2.23 |
0 |