smiles
stringlengths 5
152
| ZINC_id
stringlengths 2
10
| selfies
stringlengths 13
403
|
|---|---|---|
N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@H]1OCc1ccccc1
|
4531111
|
[N][C@@H1][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][Ring1][C][O][O][C@H1][Ring1][#Branch2][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
OC[C@@H]1O[C@@H](N2CCc3ccccc32)[C@@H](O)[C@H](O)[C@@H]1O
|
63772493
|
[O][C][C@@H1][O][C@@H1][Branch1][=C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][P][O]
|
CC(C)[C@H]1C(=O)NCCN1C(=O)[C@@H]1CNCCO1
|
236797886
|
[C][C][Branch1][C][C][C@H1][C][=Branch1][C][=O][N][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C@@H1][C][N][C][C][O][Ring1][=Branch1]
|
COCCN1CC[C@@H](C(=O)NCCn2cnnn2)C1
|
244724733
|
[C][O][C][C][N][C][C][C@@H1][Branch1][#C][C][=Branch1][C][=O][N][C][C][N][C][=N][N][=N][Ring1][Branch1][C][Ring1][#C]
|
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O
|
8580514
|
[N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][Branch2][O]
|
O=C(NCN1CCOCC1)NCN1CCOCC1
|
31648142
|
[O][=C][Branch1][O][N][C][N][C][C][O][C][C][Ring1][=Branch1][N][C][N][C][C][O][C][C][Ring1][=Branch1]
|
Cc1nn(C)c(C)c1CCC(=O)N[C@@H](CO)C(N)=O
|
1506421003
|
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][Branch1][C][N][=O]
|
O=C([C@H]1COCCN1)N1CCC[C@H](N2CCNCC2=O)C1
|
186637392
|
[O][=C][Branch1][=Branch2][C@H1][C][O][C][C][N][Ring1][=Branch1][N][C][C][C][C@H1][Branch1][#Branch2][N][C][C][N][C][C][Ring1][=Branch1][=O][C][Ring1][=N]
|
CC[C@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1NC(C)=O
|
245053438
|
[C][C][C@H1][Branch1][C][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][#Branch2][N][C][Branch1][C][C][=O]
|
NC(=O)CN1CCC(NC(=O)c2c[nH]c(=O)[nH]2)CC1
|
299771276
|
[N][C][=Branch1][C][=O][C][N][C][C][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][NH1][C][=Branch1][C][=O][NH1][Ring1][=Branch1][C][C][Ring1][#C]
|
CCN1CCO[C@H](CN2CCN(C(=O)C(=O)O)CC2)C1
|
368129070
|
[C][C][N][C][C][O][C@H1][Branch2][Ring1][Branch1][C][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][=Branch1][C][=O][O][C][C][Ring1][O][C][Ring2][Ring1][C]
|
OC[C@H](O)[C@H](O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1
|
239338722
|
[O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]
|
Cc1cc(C[C@@H]2CN(C(=O)COCC(N)=O)C[C@@H]2O)on1
|
1704351958
|
[C][C][C][=C][Branch2][Ring1][Branch2][C][C@@H1][C][N][Branch1][=N][C][=Branch1][C][=O][C][O][C][C][Branch1][C][N][=O][C][C@@H1][Ring1][=N][O][O][N][=Ring2][Ring1][Ring2]
|
CCCCCC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
|
16969395
|
[C][C][C][C][C][C][=Branch1][C][=O][N][C@H1][C@H1][Branch1][C][O][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][#Branch2][O]
|
Cc1cc(C)n(-c2nnc(NC(CO)(CO)CO)nn2)n1
|
40457306
|
[C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][=N][N][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][C][O][N][=N][Ring1][=C][N][=Ring2][Ring1][Ring2]
|
Nc1ncnc2c1ncn2[C@]1(CO)O/C(=C/O)[C@@H](O)[C@H]1O
|
1775953624
|
[N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@][Branch1][Ring1][C][O][O][/C][=Branch1][Ring1][=C][/O][C@@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O]
|
OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1
|
100853568
|
[O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]
|
CN(CC(N)=O)C(=O)Cn1c(=O)[nH]c(=O)c2ccccc21
|
148479517
|
[C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N]
|
CN(C)C(=O)CN1CCN(c2cncc(C(N)=O)n2)CC1
|
670471849
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][C][N][Branch1][S][C][=C][N][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=N][Ring1][=Branch2][C][C][Ring1][#C]
|
NC(=O)CN1CC2(CCC1=O)CCN(C[C@@H](O)CO)CC2
|
91321074
|
[N][C][=Branch1][C][=O][C][N][C][C][Branch1][#Branch1][C][C][C][Ring1][=Branch1][=O][C][C][N][Branch1][Branch2][C][C@@H1][Branch1][C][O][C][O][C][C][Ring1][#C]
|
Cn1c(O)ncc(CC(=O)N[C@H]2CCOC[C@@H]2O)c1=O
|
1565516832
|
[C][N][C][Branch1][C][O][=N][C][=C][Branch1][S][C][C][=Branch1][C][=O][N][C@H1][C][C][O][C][C@@H1][Ring1][=Branch1][O][C][Ring2][Ring1][C][=O]
|
CN1CCn2[nH]c(=NC(=O)[C@@H]3CC[C@@H]3C(N)=O)cc2C1=O
|
1875317327
|
[C][N][C][C][N][NH1][C][=Branch1][P][=N][C][=Branch1][C][=O][C@@H1][C][C][C@@H1][Ring1][Ring2][C][Branch1][C][N][=O][C][=C][Ring1][#C][C][Ring2][Ring1][Ring1][=O]
|
CO[C@@H]1[C@@H](CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H]1O
|
44169895
|
[C][O][C@@H1][C@@H1][Branch1][Ring1][C][O][O][C@@H1][Branch1][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C@@H1][Ring1][#C][O]
|
CC(C)C[C@H](NC(=O)c1cn(CCN)nn1)C(N)=O
|
77425631
|
[C][C][Branch1][C][C][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][N][Branch1][Ring2][C][C][N][N][=N][Ring1][Branch2][C][Branch1][C][N][=O]
|
O=C([C@H]1CNCCO1)N1CCC[C@H](N2CCNCC2=O)C1
|
186701159
|
[O][=C][Branch1][=Branch2][C@H1][C][N][C][C][O][Ring1][=Branch1][N][C][C][C][C@H1][Branch1][#Branch2][N][C][C][N][C][C][Ring1][=Branch1][=O][C][Ring1][=N]
|
Cn1c(C(=O)N2CC[C@H](CO)[C@H](O)C2)cc(=O)n(C)c1=O
|
1189422923
|
[C][N][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C][Ring1][=Branch2][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring2][Ring1][Ring1][=O]
|
C[C@@H]1C[C@@H](NC(=O)Cn2cc(CO)nn2)C(=O)O1
|
1875340384
|
[C][C@@H1][C][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][Ring1][C][O][N][=N][Ring1][#Branch1][C][=Branch1][C][=O][O][Ring1][P]
|
CNS(=O)(=O)CC(=O)N1C[C@H](C(N)=O)CC[C@H]1C
|
408403967
|
[C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][C@H1][Ring1][=Branch2][C]
|
CC(=O)N[C@@H]1CCN(c2cc(=O)n(C)c(=O)n2C)C1
|
2325785643
|
[C][C][=Branch1][C][=O][N][C@@H1][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][Ring1][#C]
|
CN1C[C@@H](C(=O)N2CCN(C(=O)CO)CC2)CC1=O
|
408039430
|
[C][N][C][C@@H1][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C][C][Ring1][#Branch2][C][C][Ring1][P][=O]
|
CO[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)N1CCC1
|
657101068
|
[C][O][C@@H1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C@H1][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Ring1][Ring2]
|
COC[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C(=O)OC
|
1362698902
|
[C][O][C][C@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][Branch1][C][N][=O][C][=Branch1][C][=O][O][C]
|
Cn1cc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O
|
6072377
|
[C][N][C][=C][Branch1][S][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][=Branch1][C][=O][NH1][C][Ring1][S][=O]
|
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c1N
|
13547762
|
[N][C][=Branch1][C][=O][C][N][=C][N][Branch1][S][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][=Ring1][=C][N]
|
CS(=O)(=O)N1CCO[C@@H](CNC(=O)c2c[nH]nn2)C1
|
72149123
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C@@H1][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][NH1][N][=N][Ring1][Branch1][C][Ring1][#C]
|
OC[C@H](O)[C@H](O)[C@H](O)[C@@H](O)C1SCCCS1
|
250831283
|
[O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][S][C][C][C][S][Ring1][=Branch1]
|
O=C(Cn1ccc(=O)cc1)N1C[C@@H]2CNC[C@]2(CO)C1
|
1772711311
|
[O][=C][Branch1][=N][C][N][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][N][C][C@@H1][C][N][C][C@][Ring1][Branch1][Branch1][Ring1][C][O][C][Ring1][#Branch2]
|
Nc1nc(N2C[C@H]3[C@@H](C2)C3(CO)CO)c2nc[nH]c2n1
|
1772815025
|
[N][C][=N][C][Branch2][Ring1][Ring1][N][C][C@H1][C@@H1][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][Ring2][Branch1][Ring1][C][O][C][O][=C][N][=C][NH1][C][Ring1][Branch1][=N][Ring2][Ring1][Ring1]
|
NC1CN(S(=O)(=O)NC[C@H]2CC[C@@]3(CCOC3)O2)C1
|
1875319899
|
[N][C][C][N][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C@H1][C][C][C@@][Branch1][#Branch1][C][C][O][C][Ring1][Branch1][O][Ring1][=Branch2][C][Ring2][Ring1][C]
|
O=C(NC[C@@H](O)CN1CCNCC1)c1cnn[nH]1
|
72156708
|
[O][=C][Branch1][S][N][C][C@@H1][Branch1][C][O][C][N][C][C][N][C][C][Ring1][=Branch1][C][=C][N][=N][NH1][Ring1][Branch1]
|
Cn1c(=O)[nH]cc(CC(=O)N2CCOC[C@@H](O)C2)c1=O
|
77380373
|
[C][N][C][=Branch1][C][=O][NH1][C][=C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][C][O][C][C@@H1][Branch1][C][O][C][Ring1][Branch2][C][Ring2][Ring1][C][=O]
|
Cc1cn(CC(=O)N2CC[C@H](CO)[C@@H](O)C2)c(=O)nc1O
|
1142313595
|
[C][C][=C][N][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C][Ring1][=Branch2][C][=Branch1][C][=O][N][=C][Ring2][Ring1][Ring1][O]
|
NNc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)n1
|
82211854
|
[N][N][C][C][=C][N][Branch1][S][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][Branch2][O][C][=Branch1][C][=O][N][=Ring1][S]
|
CN1CCOC[C@@H]1C(=O)N1C[C@H]2[C@H](C1)C2(CO)CO
|
1772815642
|
[C][N][C][C][O][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@H1][C@H1][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][Ring2][Branch1][Ring1][C][O][C][O]
|
COc1nccnc1N1CCN2C(=O)CN(C)C(=O)[C@@H]2C1
|
1506417335
|
[C][O][C][=N][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][Ring1][=Branch2][C][Ring1][=N]
|
CNS(=O)(=O)NC[C@H](C)NS(=O)(=O)NC
|
3106315
|
[C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C]
|
O=C(CCc1nc[nH]n1)N1C[C@@H](O)[C@@H]2COC[C@@H]21
|
1875298807
|
[O][=C][Branch1][#Branch2][C][C][C][N][=C][NH1][N][=Ring1][Branch1][N][C][C@@H1][Branch1][C][O][C@@H1][C][O][C][C@@H1][Ring1][Branch1][Ring1][=Branch2]
|
COCCOC[C@H](O)Cn1nnnc1C[C@H](C)O
|
1875357931
|
[C][O][C][C][O][C][C@H1][Branch1][C][O][C][N][N][=N][N][=C][Ring1][Branch1][C][C@H1][Branch1][C][C][O]
|
CN(C)C(=O)[C@@H]1CCCN1C(=O)c1nc(=O)n(C)[nH]1
|
2100545178
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=N][C][=Branch1][C][=O][N][Branch1][C][C][NH1][Ring1][#Branch1]
|
C1CNCCNCCNCCNCCNCCN1
|
19594727
|
[C][C][N][C][C][N][C][C][N][C][C][N][C][C][N][C][C][N][Ring2][Ring1][C]
|
CN1CCN2CCN(C(=O)CNC(=O)N(C)C)C[C@H]2C1
|
257372069
|
[C][N][C][C][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C@H1][Ring1][#C][C][Ring2][Ring1][Ring1]
|
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F
|
22805
|
[N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][Branch2][F]
|
CCC(=O)C(=O)N[C@@H]1C[C@H]2C(=O)N(C)CC(=O)N2C1
|
67679368
|
[C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@@H1][C][C@H1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][Ring1][N]
|
O=C1NCCN2CCN(c3ncnc4[nH]cnc34)C[C@@H]12
|
67974238
|
[O][=C][N][C][C][N][C][C][N][Branch1][=C][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][C][C@@H1][Ring2][Ring1][Ring1][Ring1][#C]
|
O=C(O)[C@H]1CC[C@H](C(=O)N2CCS(=O)(=O)CC2)O1
|
222475647
|
[O][=C][Branch1][C][O][C@H1][C][C][C@H1][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][Branch2][O][Ring1][#C]
|
Cn1ccc(C(=O)N[C@H]2CCO[C@H](CO)[C@H]2O)cc1=O
|
1857741376
|
[C][N][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C@H1][C][C][O][C@H1][Branch1][Ring1][C][O][C@H1][Ring1][Branch2][O][=C][C][Ring2][Ring1][C][=O]
|
NC(=O)CO[C@H]1COCC[C@@H]1NC(=O)N1CCOCC1
|
1565526611
|
[N][C][=Branch1][C][=O][C][O][C@H1][C][O][C][C][C@@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1]
|
CC(=O)N1C[C@H](O)C[C@H]1C(=O)NC[C@@]1(O)CCN(C)C1
|
1875280681
|
[C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@@][Branch1][C][O][C][C][N][Branch1][C][C][C][Ring1][#Branch1]
|
CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
|
3786448
|
[C][N][Branch1][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][Branch2][O]
|
CC[C@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1NC(C)=O
|
245053439
|
[C][C][C@H1][Branch1][C][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][#Branch2][N][C][Branch1][C][C][=O]
|
CNc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1
|
28525042
|
[C][N][C][=N][C][=C][Branch2][Ring1][Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][=Branch1][C][=O][NH1][Ring2][Ring1][Ring1]
|
C[C@H](C(=O)NC[C@@]1(O)CCOC1)N1CCOCC1
|
407994425
|
[C][C@H1][Branch1][P][C][=Branch1][C][=O][N][C][C@@][Branch1][C][O][C][C][O][C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1]
|
CC(CO)(CO)NC(=O)C(=O)NC(C)(CO)CO
|
2167956
|
[C][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][Ring1][C][O][C][O]
|
NC(=O)c1ccc(C(=O)NC[C@H]2CN3CCN2CC3)cn1
|
178969683
|
[N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C@H1][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1][C][=N][Ring2][Ring1][C]
|
CN1CCN(CC(=O)N2CCO[C@H](CN)C2)C1=O
|
534672451
|
[C][N][C][C][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][C][O][C@H1][Branch1][Ring1][C][N][C][Ring1][Branch2][C][Ring1][S][=O]
|
CNC(=O)NC(=O)[C@H](C)N1CCC[C@](O)(CC(N)=O)C1
|
591644884
|
[C][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][C][C][C@][Branch1][C][O][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][Ring1][O]
|
Cn1cccc1C(=O)C(=O)N1CCN2CCNC(=O)[C@H]2C1
|
65381470
|
[C][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][N][C][C][N][C][=Branch1][C][=O][C@H1][Ring1][#Branch1][C][Ring1][O]
|
CN1CCN2CCN(C(=O)CCCn3cnnn3)C[C@@H]2C1
|
65527578
|
[C][N][C][C][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][N][C][=N][N][=N][Ring1][Branch1][C][C@@H1][Ring1][S][C][Ring2][Ring1][Ring2]
|
NC(=O)CN1CCOCCN(CC(N)=O)CCOCC1
|
1193988
|
[N][C][=Branch1][C][=O][C][N][C][C][O][C][C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][C][O][C][C][Ring1][S]
|
NC[C@H]1C[C@@H](O)CN1C(=O)N1CCS(=O)(=O)CC1
|
1875339982
|
[N][C][C@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][Branch2]
|
COC(=O)c1cc(=NC(=O)[C@@H]2CNC(=O)C2)[nH]n1C
|
2325819128
|
[C][O][C][=Branch1][C][=O][C][=C][C][=Branch1][S][=N][C][=Branch1][C][=O][C@@H1][C][N][C][=Branch1][C][=O][C][Ring1][=Branch1][NH1][N][Ring1][=C][C]
|
COCCN1CCN(C(=O)C(=O)N2CCN[C@H](C)C2)CC1
|
423033849
|
[C][O][C][C][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][N][C@H1][Branch1][C][C][C][Ring1][#Branch1][C][C][Ring1][P]
|
O=C(CCc1nn[nH]n1)N[C@@H]1C[C@@H]1N1CCOCC1
|
1875392114
|
[O][=C][Branch1][#Branch2][C][C][C][N][=N][NH1][N][=Ring1][Branch1][N][C@@H1][C][C@@H1][Ring1][Ring1][N][C][C][O][C][C][Ring1][=Branch1]
|
O=P(O)(O)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O
|
1532536
|
[O][=P][Branch1][C][O][Branch1][C][O][O][C@H1][O][C@@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][#Branch2][O]
|
C[C@@H]1CN(S(=O)(=O)C[C@@H]2CNCCO2)[C@H](C)CN1
|
631930069
|
[C][C@@H1][C][N][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][C@@H1][C][N][C][C][O][Ring1][=Branch1][C@H1][Branch1][C][C][C][N][Ring1][P]
|
CC(C)(C(=O)N[C@H]1CCNC[C@@H]1O)N1CCOCC1
|
1615683649
|
[C][C][Branch1][C][C][Branch1][#C][C][=Branch1][C][=O][N][C@H1][C][C][N][C][C@@H1][Ring1][=Branch1][O][N][C][C][O][C][C][Ring1][=Branch1]
|
COCCn1nnc([C@H]2CN(CC(=O)N(C)C)CCO2)n1
|
1875244706
|
[C][O][C][C][N][N][=N][C][Branch2][Ring1][Branch1][C@H1][C][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][O][Ring1][N][=N][Ring1][P]
|
CCOC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
|
39947801
|
[C][C][O][C][=Branch1][C][=O][N][C@H1][C@H1][Branch1][C][O][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][#Branch2][O]
|
NCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
|
222839644
|
[N][C][C][O][C][C][O][C][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][Ring1][=Branch1][=O]
|
CN1CCN(C(=O)CN2Cc3nc(O)nc(O)c3C2)CC1
|
1875299407
|
[C][N][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][N][C][C][=N][C][Branch1][C][O][=N][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][O][C][C][Ring2][Ring1][Ring2]
|
N[C@H]1C[C@@H](O)CN(C(=O)CCCn2cncn2)C1
|
1857672077
|
[N][C@H1][C][C@@H1][Branch1][C][O][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][N][C][=N][C][=N][Ring1][Branch1][C][Ring1][P]
|
Cn1c(N)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2nc1=O
|
28021331
|
[C][N][C][Branch1][C][N][=C][N][=C][N][Branch1][S][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][Ring1][=C][=N][C][Ring2][Ring1][Ring1][=O]
|
O=P(O)(O)O[C@]1(CO)OC[C@@H](O)[C@H](O)[C@H]1O
|
238730540
|
[O][=P][Branch1][C][O][Branch1][C][O][O][C@][Branch1][Ring1][C][O][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O]
|
CNS(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1
|
351937693
|
[C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][=C]
|
NC(=O)CO[C@H]1CCOC[C@H]1NC(=O)c1cnccn1
|
219650385
|
[N][C][=Branch1][C][=O][C][O][C@H1][C][C][O][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1]
|
CNC(=O)c1noc(CNC(=O)[C@@H]2CN(C)CC[C@@H]2O)n1
|
2356154348
|
[C][N][C][=Branch1][C][=O][C][=N][O][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C@@H1][C][N][Branch1][C][C][C][C][C@@H1][Ring1][#Branch1][O][=N][Ring1][P]
|
O=C(O)CS(=O)(=O)CS(=O)(=O)CC(=O)O
|
2905448
|
[O][=C][Branch1][C][O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][O]
|
O=C(CN1CCC[C@@H](O)C1)NCCc1cnn[nH]1
|
584887211
|
[O][=C][Branch1][=N][C][N][C][C][C][C@@H1][Branch1][C][O][C][Ring1][#Branch1][N][C][C][C][=C][N][=N][NH1][Ring1][Branch1]
|
C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
|
2522665
|
[C][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][O]
|
OC[C@@H]1O[C@@H](N2CCc3ccccc32)[C@H](O)[C@H](O)[C@@H]1O
|
63772491
|
[O][C][C@@H1][O][C@@H1][Branch1][=C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][P][O]
|
Cn1c(=O)[nH]cc(CC(=O)N2CCCC[C@H](N)C2)c1=O
|
82121425
|
[C][N][C][=Branch1][C][=O][NH1][C][=C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Branch1][C][N][C][Ring1][Branch2][C][Ring2][Ring1][C][=O]
|
CS(=O)(=O)CC(=O)N[C@H]1CCOC[C@@H]1OCC(=O)O
|
1565530247
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C@H1][C][C][O][C][C@@H1][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O]
|
CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2C)CC1
|
390654
|
[C][N][C][C][N][Branch2][Ring1][O][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][C][Ring2][Ring1][Ring2]
|
CN1CCN(C(=O)CN2Cc3cnn(CCO)c3C2)CC1
|
240203766
|
[C][N][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][N][C][C][C][=N][N][Branch1][Ring2][C][C][O][C][=Ring1][Branch2][C][Ring1][O][C][C][Ring2][Ring1][Ring2]
|
CSCC[C@H](O)C(=O)N1CCOC[C@]1(CN)CO
|
1875315046
|
[C][S][C][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][O][C][C@][Ring1][=Branch1][Branch1][Ring1][C][N][C][O]
|
Nc1nc(N)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2n1
|
5117753
|
[N][C][=N][C][Branch1][C][N][=C][N][=C][N][Branch1][#C][C@H1][C][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][Ring1][Branch2][C][Ring1][=N][=N][Ring2][Ring1][C]
|
CO[C@H]1CN(CC(=O)N2CCN(C)CC2)C[C@@H]1O
|
824504918
|
[C][O][C@H1][C][N][Branch1][P][C][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][C@@H1][Ring1][#C][O]
|
CN(C)C[C@]12CNC[C@@H]1CN(C(=O)Cn1cnnc1)C2
|
1772712418
|
[C][N][Branch1][C][C][C][C@][C][N][C][C@@H1][Ring1][Branch1][C][N][Branch1][=N][C][=Branch1][C][=O][C][N][C][=N][N][=C][Ring1][Branch1][C][Ring1][S]
|
CN1CCN2CCN(C(=O)c3cccc(=O)[nH]3)C[C@@H]2C1=O
|
65424644
|
[C][N][C][C][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][C][=O][NH1][Ring1][#Branch1][C][C@@H1][Ring1][#C][C][Ring2][Ring1][Ring1][=O]
|
CN(C)S(=O)(=O)CC(=O)N1CC(O)(C2CC2)C1
|
408321443
|
[C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][Branch2]
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.