SMILES
stringlengths 4
93
| ZINC_ID
stringlengths 16
16
|
|---|---|
BN(C)C | ZINC450000002gDx |
C1CNC1 | ZINC450000002hc1 |
C#CCN | ZINC450000002oMe |
C#CCO | ZINC450000002phQ |
C[C@@H]1CN1 | ZINC450000002quN |
C[C@H]1CN1 | ZINC450000002quO |
CCNO | ZINC450000002sEr |
CCON | ZINC450000002u8f |
C=[N+](C)C | ZINC450000002w4O |
CN(C)N | ZINC450000002wVz |
CNC#N | ZINC450000002wVA |
CN(C)O | ZINC450000002wY2 |
CNNC | ZINC450000002x7L |
CNOC | ZINC450000002x9K |
C[N+](=O)[O-] | ZINC450000002xau |
COCO | ZINC450000002yVm |
NCCS | ZINC450000002Ee4 |
O=c1cc1 | ZINC450000002GcZ |
OCCF | ZINC450000002ILP |
O=CCO | ZINC450000002JbH |
OCCS | ZINC450000002Jfn |
CB(O)O | ZINC450000003WCo |
CNC=O | ZINC450000003XtW |
C[S@@](=O)O | ZINC450000003XHt |
N#CCO | ZINC450000003XZF |
O=BOO | ZINC450000003Yc0 |
N=C(O)S | ZINC450000002FAa |
CC(N)=O | ZINC450000001I4D |
B1CCN1 | ZINC450000002gD1 |
C#CC=O | ZINC450000002phR |
CCNN | ZINC450000002sCI |
CC(=N)N | ZINC450000002sCJ |
COC=O | ZINC450000002yVn |
CS(C)=O | ZINC450000002Aj2 |
C[S@](N)=O | ZINC450000002AmS |
C[S@@](N)=O | ZINC450000002AmT |
NCCF | ZINC450000002DBS |
N#CCN | ZINC450000002E48 |
NC(=O)O | ZINC450000002FzP |
NP(O)O | ZINC450000002G5G |
O=CC=O | ZINC450000002JbI |
OCCP | ZINC450000002Jfk |
O=[PH](O)O | ZINC450000002Lx5 |
OP(O)O | ZINC450000002Lxn |
O=S(O)O | ZINC450000002LJf |
BC(=O)O | ZINC450000003YGT |
[BH3-]C(=O)O | ZINC450000003YGV |
C[S@](=O)O | ZINC450000003ZOc |
N=CNO | ZINC4500000040bc |
NC(N)=O | ZINC4500000040bd |
NC(N)=S | ZINC4500000040bE |
N=C(N)N | ZINC440000001I4E |
OB(O)F | ZINC440000002G9z |
O=[Sn](O)O | ZINC440000002LHF |
O=S(=O)=O | ZINC440000002LJe |
OB1OO1 | ZINC440000003W4g |
O=[Si](O)O | ZINC440000003Wag |
[BH3-]N(C)C | ZINC440000003WaO |
NCCN | ZINC440000002E47 |
NCCO | ZINC440000002E9p |
OCCO | ZINC440000002JbG |
NNC=O | ZINC440000003WsX |
O[Br+2](O)O | ZINC440000003WtO |
O[Cl+2](O)O | ZINC440000003Wxz |
OB(O)O | ZINC430000002G9A |
CC(=O)O | ZINC460000002uhg |
N#CC#N | ZINC460000002E49 |
O=P(=O)O | ZINC460000002Lxm |
CN(C)C | ZINC470000001wUv |
C=CCO | ZINC470000002phP |
NC1CC1 | ZINC470000002AZY |
N=C(N)Cl | ZINC470000002F9i |
O=CCF | ZINC470000002ILQ |
NCCCl | ZINC470000003W2s |
N=C(S)S | ZINC470000003W3T |
C=CCN | ZINC470000002oMd |
C#CC#N | ZINC470000002oMf |
OC1CC1 | ZINC470000002Gd0 |
O=CCS | ZINC470000002Jfo |
CCNC | ZINC480000001wUw |
O=C(O)O | ZINC480000002L9A |
OCCCl | ZINC480000003WwS |
ON=NO | ZINC480000003WyS |
CC(N)=S | ZINC480000004T66 |
CC(C)N | ZINC490000002oMg |
CCCO | ZINC490000002phO |
CC(C)O | ZINC490000002phS |
C=CC=O | ZINC490000003X53 |
CCCN | ZINC490000002oMc |
C=NN=C | ZINC490000002x7M |
CON=O | ZINC490000002A0b |
NCCBr | ZINC49000000404r |
OCCBr | ZINC4900000040za |
C/C=N\\O | ZINC4a0000002sEt |
CC=NO | ZINC4a0000002sEu |
N#CCF | ZINC4a0000002DBT |
C1COC1 | ZINC4a0000002hl7 |
C[C@@H]1CO1 | ZINC4a0000002qGC |
C[C@H]1CO1 | ZINC4a0000002qGD |
ClN1CC1 | ZINC4a0000002uIr |
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