| ID | Abbr | Metal | GT | v1 Pred | v1 | v2 Pred | v2 | Δ | Лучше | |
|---|---|---|---|---|---|---|---|---|---|---|
| #684 | 6 | Ru(2) | {"N": 1} |
{"N": 3} |
0.33 | {"N": 12} |
0.67 | +0.33 | v2 | сравнить 3D |
| #709 | 1 | Ru(2) | {"P": 2, "S": 1} |
{"S": 1} |
0.33 | {"P": 3, "S": 2, "N": 4} |
0.67 | +0.33 | v2 | сравнить 3D |
| #762 | [3]Cl | Ru(2) | {"N": 2, "O": 4} |
{"N": 2} |
0.33 | {"N": 4} |
0.00 | -0.33 | v1 | сравнить 3D |
| #766 | RuL2 | Ru(2) | {"N": 1, "O": 1} |
{"S": 1, "O": 1} |
0.33 | {"N": 4} |
0.00 | -0.33 | v1 | сравнить 3D |
| #795 | 9 | Ru(2) | {"O": 4} |
{"N": 3} |
0.00 | {"N": 2, "S": 1} |
0.33 | +0.33 | v2 | сравнить 3D |
| #807 | Complex-1 | Ru(2) | {"N": 2, "O": 1} |
{"N": 1} |
0.33 | {"O": 2} |
0.00 | -0.33 | v1 | сравнить 3D |
| #809 | Complex-7 | Ru(2) | {"N": 2, "O": 1} |
{"N": 1} |
0.33 | {"N": 4} |
0.00 | -0.33 | v1 | сравнить 3D |
| #828 | Ru3 | Ru(2) | {"P": 2, "N": 1} |
{"P": 1} |
0.33 | {"P": 1} |
0.00 | -0.33 | v1 | сравнить 3D |
| #846 | 1 | Ru(2) | {"N": 1, "Cl": 1} |
{"N": 2} |
0.33 | {"N": 2} |
0.00 | -0.33 | v1 | сравнить 3D |
| #847 | 2 | Ru(2) | {"N": 1, "Cl": 1} |
{"N": 2} |
0.33 | {"N": 4} |
0.00 | -0.33 | v1 | сравнить 3D |
| #4845 | 2 | Ir(3) | {"N": 1, "O": 1} |
{"N": 2} |
0.33 | {"O": 1, "N": 1} |
0.00 | -0.33 | v1 | сравнить 3D |
| #4846 | 3 | Ir(3) | {"N": 1, "O": 1} |
{"N": 2} |
0.33 | {"O": 2, "N": 2} |
0.00 | -0.33 | v1 | сравнить 3D |
| #4851 | 4 | Ir(3) | {"O": 2} |
{"O": 1, "N": 1} |
0.33 | {"N": 3} |
0.00 | -0.33 | v1 | сравнить 3D |
| #6130 | 2 | Re(1) | {"O": 3} |
{"N": 2} |
0.00 | {"N": 2} |
0.33 | +0.33 | v2 | сравнить 3D |
| #6131 | Re1 | Re(1) | {"O": 4} |
{"N": 2} |
0.00 | {"N": 2} |
0.33 | +0.33 | v2 | сравнить 3D |
| #6627 | 1 | Os(0) | {"O": 2} |
{"N": 1, "O": 1} |
0.33 | {"N": 1, "O": 1} |
0.00 | -0.33 | v1 | сравнить 3D |
| #6728 | 1c | Rh(3) | {"O": 3} |
{"O": 1} |
0.33 | {"O": 4} |
0.00 | -0.33 | v1 | сравнить 3D |
| #6729 | Complex 3 | Rh(3) | {"O": 1, "N": 2} |
{"O": 1} |
0.33 | {"O": 1} |
0.00 | -0.33 | v1 | сравнить 3D |
| #595 | I | Ru(2) | {"O": 7, "N": 3} |
{"N": 1} |
0.10 | {"N": 3} |
0.43 | +0.33 | v2 | сравнить 3D |
| #596 | II | Ru(2) | {"O": 7, "N": 3} |
{"N": 1} |
0.10 | {"N": 3} |
0.43 | +0.33 | v2 | сравнить 3D |
| #345 | Ru(4) | Ru(2) | {"O": 3, "P": 2} |
{"O": 1, "P": 1} |
0.40 | {"O": 3, "P": 4} |
0.71 | +0.31 | v2 | сравнить 3D |
| #414 | Ru2 | Ru(2) | {"O": 4} |
{"N": 4} |
0.00 | {"N": 15} |
0.31 | +0.31 | v2 | сравнить 3D |
| #643 | 3 | Ru(2) | {"N": 1, "O": 4} |
{"P": 1} |
0.00 | {"S": 9, "P": 2, "O": 2} |
0.31 | +0.31 | v2 | сравнить 3D |
| #644 | 4 | Ru(2) | {"N": 1, "O": 4} |
{"P": 1} |
0.00 | {"S": 9, "P": 2, "O": 2} |
0.31 | +0.31 | v2 | сравнить 3D |
| #430 | 1 | Ru(2) | {"O": 2, "P": 1} |
{"P": 2} |
0.25 | {"O": 3, "N": 4, "P": 2} |
0.56 | +0.31 | v2 | сравнить 3D |
| #432 | 3,Complex (1) | Ru(2) | {"O": 2, "P": 1} |
{"P": 2} |
0.25 | {"O": 3, "N": 4, "P": 2} |
0.56 | +0.31 | v2 | сравнить 3D |
| #863 | Complex (2) | Ru(2) | {"O": 2, "P": 1} |
{"P": 2} |
0.25 | {"O": 3, "N": 4, "P": 2} |
0.56 | +0.31 | v2 | сравнить 3D |
| #864 | Complex (3) | Ru(2) | {"O": 2, "P": 1} |
{"P": 2} |
0.25 | {"O": 3, "N": 4, "P": 2} |
0.56 | +0.31 | v2 | сравнить 3D |
| #701 | 3 | Ru(3) | {"O": 7, "N": 3} |
{"O": 1} |
0.10 | {"N": 9, "O": 11} |
0.40 | +0.30 | v2 | сравнить 3D |
| #702 | 4 | Ru(3) | {"O": 7, "N": 3} |
{"O": 1} |
0.10 | {"N": 9, "O": 11} |
0.40 | +0.30 | v2 | сравнить 3D |
| #550 | Ru2 | Ru(2) | {"N": 3, "O": 6} |
{"N": 4} |
0.30 | {"N": 4} |
0.00 | -0.30 | v1 | сравнить 3D |
| #363 | 2a | Ru(2) | {"N": 7} |
{"N": 2} |
0.29 | {"N": 12} |
0.58 | +0.30 | v2 | сравнить 3D |
| #365 | 2b | Ru(2) | {"N": 7} |
{"N": 2} |
0.29 | {"N": 12} |
0.58 | +0.30 | v2 | сравнить 3D |
| #657 | Mono | Ru(2) | {"N": 7} |
{"N": 2} |
0.29 | {"N": 12} |
0.58 | +0.30 | v2 | сравнить 3D |
| #261 | 3 | Ru(2) | {"Cl": 2, "N": 4} |
{"N": 4} |
0.67 | {"N": 16} |
0.38 | -0.29 | v1 | сравнить 3D |
| #263 | 5 | Ru(2) | {"I": 2, "N": 4} |
{"N": 4} |
0.67 | {"N": 16} |
0.38 | -0.29 | v1 | сравнить 3D |
| #840 | C2 | Ru(2) | {"N": 4, "O": 4} |
{"N": 3} |
0.38 | {"N": 7} |
0.67 | +0.29 | v2 | сравнить 3D |
| #440 | 8e | Ru(2) | {"O": 3} |
C:6(eta) |
0.00 | {"O": 2, "N": 2} |
0.29 | +0.29 | v2 | сравнить 3D |
| #441 | 8f | Ru(2) | {"O": 3} |
C:6(eta) |
0.00 | {"O": 2, "N": 2} |
0.29 | +0.29 | v2 | сравнить 3D |
| #624 | RuMCH | Ru(2) | {"N": 3, "O": 4} |
{"O": 1, "N": 1} |
0.29 | {"O": 2, "N": 2} |
0.00 | -0.29 | v1 | сравнить 3D |
| #683 | 5e | Ru(2) | {"S": 3, "O": 1, "N": 2} |
{"N": 3} |
0.29 | {"S": 7} |
0.00 | -0.29 | v1 | сравнить 3D |
| #791 | 1aL1 | Ru(2) | {"N": 2, "S": 2, "O": 2, "P": 1} |
{"S": 1, "N": 1} |
0.29 | {"S": 2, "N": 2, "P": 1} |
0.00 | -0.29 | v1 | сравнить 3D |
| #792 | 2aL1 | Ru(2) | {"N": 3, "S": 2, "O": 2} |
{"N": 1, "S": 1} |
0.29 | {"P": 3, "S": 1, "N": 1} |
0.00 | -0.29 | v1 | сравнить 3D |
| #6134 | Re4 | Re(1) | {"O": 4} |
{"N": 2} |
0.00 | {"N": 2} |
0.29 | +0.29 | v2 | сравнить 3D |
| #228 | 1,Ru0,2a | Ru(2) | {"N": 1} |
{"N": 3} |
0.33 | {"N": 13} |
0.62 | +0.28 | v2 | сравнить 3D |
| #87 | 2 | Ru(2) | {"N": 1, "P": 1} |
{"P": 1} |
0.50 | {"N": 6, "P": 2} |
0.78 | +0.28 | v2 | сравнить 3D |
| #306 | Ru(GAC) | Ru(2) | {"O": 5, "P": 1} |
{"O": 1} |
0.17 | {"O": 3, "N": 4, "P": 1} |
0.44 | +0.28 | v2 | сравнить 3D |
| #434 | 5 | Ru(2) | {"O": 4, "P": 1} |
{"P": 2} |
0.17 | {"O": 3, "N": 4, "P": 1} |
0.44 | +0.28 | v2 | сравнить 3D |
| #57 | 3 | Ru(2) | {"O": 6, "N": 2} |
{"S": 2} |
0.00 | {"S": 6, "N": 3} |
0.27 | +0.27 | v2 | сравнить 3D |
| #443 | 6 a | Ru(2) | {"N": 1, "O": 5} |
{"P": 1} |
0.00 | {"P": 3, "O": 4} |
0.27 | +0.27 | v2 | сравнить 3D |