SMILES
stringlengths 4
93
| ZINC_ID
stringlengths 16
16
|
|---|---|
N#C[C@@H](N)F | ZINC550000002E0O |
N#C[C@H](N)F | ZINC550000002E0P |
N#CCON | ZINC550000002Ed5 |
N[C@H]1C[C@@H]1N | ZINC550000002Evy |
N[C@H]1C[C@H]1N | ZINC550000002Evz |
N#CN1CC1 | ZINC550000002F2n |
N=C(O)CN | ZINC550000002Fwj |
[NH]C(=O)NO | ZINC550000002FJp |
NN1CCC1 | ZINC550000002FJA |
NNCCF | ZINC550000002FXx |
NOCCF | ZINC550000002G4Y |
O=C1CCO1 | ZINC550000002GVE |
O=C1CNC1 | ZINC550000002H67 |
OC1COC1 | ZINC550000002Hbs |
O=C1COC1 | ZINC550000002Hbt |
OCCCO | ZINC550000002IKd |
O=CCCO | ZINC550000002IKe |
O=CCC=O | ZINC550000002IKf |
O=C[C@@H]1CO1 | ZINC550000002IZZ |
O=C[C@H]1CO1 | ZINC550000002J00 |
OC[C@@H]1CO1 | ZINC550000002J01 |
OC[C@H]1CO1 | ZINC550000002J02 |
O=CC(=O)O | ZINC550000002Jf5 |
O=N[N+](=O)[O-] | ZINC550000002LjV |
O=S(O)(O)=S | ZINC550000002LLZ |
CS(C)(=O)=O | ZINC550000000003 |
C=CB(O)O | ZINC550000003WT7 |
CCB(O)O | ZINC550000003WT8 |
CCCC[Sn+3] | ZINC550000003X1I |
C#CC(N)=O | ZINC550000003X4Z |
C[C@@H](O)C#N | ZINC550000003XcT |
C[C@H](O)C#N | ZINC550000003XcU |
C=CNC=O | ZINC550000003Xej |
CC(=N)NN | ZINC550000003XeP |
C=C[Sn+2]C=C | ZINC550000003Xl0 |
CNC(N)=O | ZINC550000003XtV |
NC(=O)CBr | ZINC550000003Y4l |
NC(=O)CCl | ZINC550000003Y4P |
NC(=O)CI | ZINC550000003Y5J |
NC[S@](=O)O | ZINC550000003Y7e |
OCNCCl | ZINC550000003YwB |
O=[S@@](O)CO | ZINC550000003YEx |
CN[S@](C)=O | ZINC5500000047Cs |
CN[S@@](C)=O | ZINC5500000047Ct |
CNC(=N)N | ZINC550000001I4G |
COC(=N)O | ZINC550000001I4H |
C1CNNC1 | ZINC550000002hk5 |
C1=CNNC1 | ZINC550000002hk6 |
C1CNOC1 | ZINC550000002hl3 |
C1COCN1 | ZINC550000002hoS |
C1COCO1 | ZINC550000002hoV |
C1=NNCC1 | ZINC550000002huo |
C#CCCN | ZINC550000002nnS |
CC#CCN | ZINC550000002nnX |
C#C[C@H](C)N | ZINC550000002omu |
C#CCNC | ZINC550000002p2m |
CCCNN | ZINC550000002pfn |
C=CCNN | ZINC550000002pfo |
C#CCNN | ZINC550000002pfq |
CC(C)NN | ZINC550000002pfr |
C#CC(=O)O | ZINC550000002pGG |
C[C@@H](N)C#N | ZINC550000002rAn |
C[C@H](N)CN | ZINC550000002rAo |
C[C@@H](N)CO | ZINC550000002rB1 |
C[C@@H](O)CN | ZINC550000002rVH |
C[C@@H](O)CO | ZINC550000002rWW |
C[C@H](O)C=O | ZINC550000002rWZ |
CCNNC | ZINC550000002sCS |
CC(=O)CO | ZINC550000002twD |
C[N+](C)(C)N | ZINC550000002wEG |
CNCC#N | ZINC550000002wEJ |
CNCCO | ZINC550000002wHA |
CN[N+](C)=O | ZINC550000002x9t |
COCCN | ZINC550000002ysH |
COCC=O | ZINC550000002ywT |
COC(=N)N | ZINC550000002yVi |
CO[N+](=O)[O-] | ZINC550000002A0c |
CO[S@](C)=O | ZINC550000002A1G |
CP(=O)(O)O | ZINC550000002A32 |
CSC(N)N | ZINC550000002Aix |
NC1COC1 | ZINC550000002BQs |
NCCCN | ZINC550000002Dw3 |
N#CCCN | ZINC550000002Dw4 |
N#CCCO | ZINC550000002Dz8 |
N#CCNO | ZINC550000002E92 |
NCC(=O)O | ZINC550000002EdC |
NCC(=O)S | ZINC550000002EdU |
N[C@@H]1C[C@H]1N | ZINC550000002Evx |
N=C(N)CF | ZINC550000002F8C |
N#CNC#N | ZINC550000002F9l |
N=C(N)C=O | ZINC550000002Fa2 |
N=C(S)CN | ZINC550000002FE7 |
NNC1CC1 | ZINC550000002FM3 |
OCN1CC1 | ZINC550000002JHr |
O=C(O)CO | ZINC550000002L4U |
SC1CNC1 | ZINC550000002LMS |
CC(=O)NO | ZINC550000000002 |
BC(=O)OC | ZINC550000003YGU |
c1c[nH]nn1 | ZINC550000003YIZ |
C=CC(N)=O | ZINC550000003Zcf |
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