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complexes
Ir C^N families
cell death map
D-MPNN
Coordination Complexes
9414 complexes in database
9414
Total
4834
Ru
2220
Au
1431
Ir
339
Rh
337
Os
253
Re
Metal
All
Au
Ir
Os
Re
Rh
Ru
Ox. State
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Donor atoms
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#6214
Re(1)
donors: {"N": 3, "O": 3}
Nc1cc2cccnc2c2ncccc12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-]
3 meas.
MOL
3D
#6213
Re(1)
donors: {"O": 4, "N": 2}
O=[N+]([O-])c1cc2cccnc2c2ncccc12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-]
3 meas.
MOL
3D
#6212
Re(1)
donors: {"O": 3, "N": 2}
[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#6211
Re(1)
donors: {"N": 2, "O": 3}
BrCc1cccc(-c2ccccn2)n1.[Br-].[C-]#[O+].[C-]#[O+].[C-]#[O+]
3 meas.
MOL
3D
#6210
Re(1)
donors: {"N": 2, "O": 3}
FC(F)c1ccc(-c2ccccn2)nc1.[Br-].[C-]#[O+].[C-]#[O+].[C-]#[O+]
5 meas.
MOL
3D
#6209
Re(1)
donors: {"N": 2, "O": 3}
Cc1ccc(-c2ccccn2)nc1.[Br-].[C-]#[O+].[C-]#[O+].[C-]#[O+]
5 meas.
MOL
3D
#6208
Re(1)
donors: {"N": 2, "O": 3}
OCc1ccc(-c2ccccn2)nc1.[Br-].[C-]#[O+].[C-]#[O+].[C-]#[O+]
5 meas.
MOL
3D
#6207
Re(1)
donors: {"N": 2, "O": 3}
ClCc1ccc(-c2ccccn2)nc1.[Br-].[C-]#[O+].[C-]#[O+].[C-]#[O+]
5 meas.
MOL
3D
#6206
Re(1)
donors: {"N": 2, "O": 3}
BrCc1ccc(-c2ccccn2)nc1.[Br-].[C-]#[O+].[C-]#[O+].[C-]#[O+]
5 meas.
MOL
3D
#6205
Re(1)
donors: {"N": 2, "O": 3}
FC(F)c1cccc(-c2ccccn2)n1.[Br-].[C-]#[O+].[C-]#[O+].[C-]#[O+]
5 meas.
MOL
3D
#6204
Re(1)
donors: {"N": 2, "O": 3}
Cc1cccc(-c2ccccn2)n1.[Br-].[C-]#[O+].[C-]#[O+].[C-]#[O+]
5 meas.
MOL
3D
#6203
Re(1)
donors: {"N": 2, "O": 3}
OCc1cccc(-c2ccccn2)n1.[Br-].[C-]#[O+].[C-]#[O+].[C-]#[O+]
5 meas.
MOL
3D
#6202
Re(1)
donors: {"N": 2, "O": 3}
ClCc1cccc(-c2ccccn2)n1.[Br-].[C-]#[O+].[C-]#[O+].[C-]#[O+]
5 meas.
MOL
3D
#6201
Re(1)
donors: {"O": 3, "N": 4}
[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].c1ccc2cc3c(-c4nc5c6cccnc6c6ncccc6c5[nH]4)cccc3cc2c1
3 meas.
MOL
3D
#6200
Re(1)
donors: {"O": 3, "N": 4}
[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].c1ccc2c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cccc2c1
3 meas.
MOL
3D
#6199
Re(1)
donors: {"N": 4, "O": 3}
Clc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-]
3 meas.
MOL
3D
#6198
Re(1)
donors: {"N": 4, "O": 3}
Fc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-]
3 meas.
MOL
3D
#6197
Re(1)
donors: {"N": 4, "O": 3}
Brc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-]
5 meas.
MOL
3D
#6196
Re(1)
donors: {"O": 3, "N": 4}
[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
3 meas.
MOL
3D
#6195
Re(1)
donors: {"S": 1, "O": 3, "N": 2}
COC(=O)CC([S-])c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#6194
Re(1)
donors: {"S": 1, "O": 3, "N": 2}
COC(=O)C(C)[S-].[C-]#[O+].[C-]#[O+].[C-]#[O+].c1cnc2c(c1)ccc1cccnc12
3 meas.
MOL
3D
#6193
Re(1)
donors: {"S": 1, "O": 3, "N": 2}
COC(=O)CC(C)[S-].[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#6192
Re(1)
donors: {"S": 1, "O": 3, "N": 2}
COC(=O)C(C)[S-].[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(-c2ccccn2)nc1
3 meas.
MOL
3D
#6191
Re(1)
donors: {"O": 4, "N": 3}
[C-]#[O+].[C-]#[O+].[C-]#[O+].[O-]c1ccc(Cl)c2cccnc12.c1ccc(-c2cc[nH]n2)cc1
10 meas.
MOL
3D
#6190
Re(1)
donors: {"N": 3, "O": 4}
Cc1cc(C)[nH]n1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[O-]c1ccc(Cl)c2cccnc12
10 meas.
MOL
3D
#6189
Re(1)
donors: {"N": 3, "O": 4}
Cc1ncc[nH]1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[O-]c1ccc(Cl)c2cccnc12
10 meas.
MOL
3D
#6188
Re(1)
donors: {"O": 4, "N": 3}
[C-]#[O+].[C-]#[O+].[C-]#[O+].[O-]c1ccc(Cl)c2cccnc12.c1c[nH]cn1
10 meas.
MOL
3D
#6187
Re(1)
donors: {"O": 4, "N": 3}
Cc1ccc2cccc([O-])c2n1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(-c2cc[nH]n2)cc1
10 meas.
MOL
3D
#6186
Re(1)
donors: {"N": 3, "O": 4}
Cc1cc(C)[nH]n1.Cc1ccc2cccc([O-])c2n1.[C-]#[O+].[C-]#[O+].[C-]#[O+]
8 meas.
MOL
3D
#6185
Re(1)
donors: {"O": 4, "N": 3}
Cc1ccc2cccc([O-])c2n1.Cc1ncc[nH]1.[C-]#[O+].[C-]#[O+].[C-]#[O+]
10 meas.
MOL
3D
#6184
Re(1)
donors: {"O": 4, "N": 3}
Cc1ccc2cccc([O-])c2n1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1c[nH]cn1
9 meas.
MOL
3D
#6183
Re(1)
donors: {"O": 4, "N": 3}
[C-]#[O+].[C-]#[O+].[C-]#[O+].[O-]c1cccc2cccnc12.c1ccc(-c2cc[nH]n2)cc1
10 meas.
MOL
3D
#6182
Re(1)
donors: {"N": 3, "O": 4}
Cc1cc(C)[nH]n1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[O-]c1cccc2cccnc12
10 meas.
MOL
3D
#6181
Re(1)
donors: {"N": 3, "O": 4}
Cc1ncc[nH]1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[O-]c1cccc2cccnc12
10 meas.
MOL
3D
#6180
Re(1)
donors: {"O": 4, "N": 3}
[C-]#[O+].[C-]#[O+].[C-]#[O+].[O-]c1cccc2cccnc12.c1c[nH]cn1
10 meas.
MOL
3D
#6179
Re(1)
donors: {"N": 4, "O": 2}
CCNC(=S)Nc1cncc(C(=O)NCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1.Cc1ccnc(-c2cc(C)ccn2)c1.[C-]#[O+]....
1 meas.
MOL
3D
#6178
Re(1)
donors: {"N": 5, "O": 3}
Cc1ccnc(-c2cc(C)ccn2)c1.Nc1cncc(C(=O)NCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1.[C-]#[O+].[C-]#[O+...
1 meas.
MOL
3D
#6177
Re(1)
donors: {"O": 3, "N": 3}
[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccncc1.c1cnc2c(c1)ccc1cccnc12
12 meas.
MOL
3D
#6176
Re(1)
donors: {"N": 4, "O": 3}
CCNC(=O)c1cccnc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
6 meas.
MOL
3D
#6175
Re(1)
donors: {"N": 4, "O": 3}
O=C(NC[C@@]1(O)OC(O)(CO)[C@@H](O)[C@@H]1O)c1cccnc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)...
6 meas.
MOL
3D
#6174
Re(1)
donors: {"N": 3, "Cl": 1, "O": 3}
Cc1ccc2ccc3ccc(C)nc3c2n1.[C-]#[N+]c1ccc(Cl)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+]
3 meas.
MOL
3D
#6173
Re(1)
donors: {"N": 3, "O": 4}
Cc1ccc2ccc3ccc(C)nc3c2n1.[C-]#[N+]c1ccc(OC)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+]
1 meas.
MOL
3D
#6172
Re(1)
donors: {"N": 3, "O": 3}
Cc1ccc2ccc3ccc(C)nc3c2n1.[C-]#[N+]c1cc(C)cc(C)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+]
1 meas.
MOL
3D
#6171
Re(1)
donors: {"N": 3, "O": 3}
Cc1ccc2ccc3ccc(C)nc3c2n1.[C-]#[N+]c1c(C)cccc1C.[C-]#[O+].[C-]#[O+].[C-]#[O+]
1 meas.
MOL
3D
#6170
Re(1)
donors: {"N": 3, "O": 3}
CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.[C-]#[N+]c1ccc(C)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+]
3 meas.
MOL
3D
#6169
Re(1)
donors: {"N": 3, "O": 3}
FC(F)(F)c1ccnc(-c2cc(C(F)(F)F)ccn2)c1.[C-]#[N+]c1ccc(C)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+]
1 meas.
MOL
3D
#6168
Re(1)
donors: {"N": 3, "O": 3}
COc1ccnc(-c2cc(OC)ccn2)c1.[C-]#[N+]c1ccc(C)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+]
1 meas.
MOL
3D
#6167
Re(1)
donors: {"N": 3, "O": 3}
Cc1ccnc(-c2cc(C)ccn2)c1.[C-]#[N+]c1ccc(C)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+]
1 meas.
MOL
3D
#6166
Re(1)
donors: {"N": 3, "O": 3}
[C-]#[N+]c1ccc(C)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(-c2ccccn2)nc1
1 meas.
MOL
3D
#6165
Re(1)
donors: {"N": 3, "O": 3}
[C-]#[N+]c1ccc(C)cc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1cnc2c(c1)ccc1cccnc12
1 meas.
MOL
3D
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65/189 (9414 total)