Pubchem CID
int64 28.3M
56.5M
| SMILES
stringlengths 3
1.87k
|
|---|---|
28,303,523 |
C1=CC=C2C(=C1)N=C(N2CCOC3=CC=C(C=C3)Cl)CCCN
|
28,303,525 |
COC1=CC=C(C=C1)OCCN2C3=CC=CC=C3N=C2CCCN
|
28,303,527 |
CC(C)(C)C1=CC=C(C=C1)OCCN2C3=CC=CC=C3N=C2CCCN
|
28,303,529 |
C1=CC=C2C(=C1)C=CC=C2OCCN3C4=CC=CC=C4N=C3CCCN
|
28,303,531 |
C1=CC=C(C=C1)OCCCN2C3=CC=CC=C3N=C2CCCN
|
28,303,533 |
CC1=CC=C(C=C1)OCCCN2C3=CC=CC=C3N=C2CCCN
|
28,303,535 |
C1=CC=C2C(=C1)N=C(N2CCCOC3=CC=C(C=C3)Cl)CCCN
|
28,303,537 |
CC1=CC(=CC=C1)OCCCN2C3=CC=CC=C3N=C2CCCN
|
28,303,539 |
CCC1=CC=C(C=C1)OCCCN2C3=CC=CC=C3N=C2CCCN
|
28,303,541 |
COC1=CC=C(C=C1)OCCCN2C3=CC=CC=C3N=C2CCCN
|
28,303,543 |
C1=CC=C(C=C1)OCCCCN2C3=CC=CC=C3N=C2CCCN
|
28,303,545 |
CC1=CC(=CC=C1)OCCCCN2C3=CC=CC=C3N=C2CCCN
|
28,303,547 |
CC1=CC=C(C=C1)OCCCCN2C3=CC=CC=C3N=C2CCCN
|
28,303,549 |
C1=CC=C2C(=C1)N=C(N2CCCCOC3=CC=C(C=C3)Cl)CCCN
|
28,303,551 |
C1=CC=C2C(=C1)N=C(N2CCO)CCCN
|
28,303,557 |
CC1=C(C(=NO1)C)CN2C3=CC=CC=C3N=C2CCCN
|
28,303,559 |
CC(=C)CN1C2=CC=CC=C2N=C1CCCN
|
28,303,561 |
C1CCN(C1)CCN2C3=CC=CC=C3N=C2CCCN
|
28,303,563 |
C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)C#N)CCCN
|
28,303,565 |
C1=CC=C2C(=C1)N=C(N2CCCO)CCCN
|
28,303,567 |
CN(C)CCN1C2=CC=CC=C2N=C1CCCN
|
28,303,569 |
C1CCN(CC1)CCN2C3=CC=CC=C3N=C2CCCN
|
28,303,571 |
CN(C)CCCN1C2=CC=CC=C2N=C1CCCN
|
28,303,573 |
C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C4=CC=CC=C4N=C3CCCN
|
28,303,575 |
C1COCCN1CCN2C3=CC=CC=C3N=C2CCCN
|
28,303,576 |
C1=CC=C2C(=C1)N=C(N2CC(=O)[O-])CC[NH3+]
|
28,303,577 |
C1=CC=C2C(=C1)N=C(N2CC(=O)O)CCN
|
28,303,587 |
C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CCN
|
28,303,589 |
CC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CCN
|
28,303,591 |
C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)Cl)CCN
|
28,303,593 |
C1=CC=C(C(=C1)CN2C3=CC=CC=C3N=C2CCN)Cl
|
28,303,595 |
C1=CC=C2C(=C1)N=C(N2CC3=C(C=CC=C3Cl)Cl)CCN
|
28,303,597 |
C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)F)CCN
|
28,303,599 |
C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)Br)CCN
|
28,303,601 |
C1=CC=C2C(=C1)N=C(N2CC3=CC(=CC=C3)Cl)CCN
|
28,303,603 |
C1=CC=C2C(=C1)N=C(N2CC3=C(C=C(C=C3)Cl)Cl)CCN
|
28,303,604 |
C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)C(=O)[O-])CC[NH3+]
|
28,303,605 |
C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)C(=O)O)CCN
|
28,303,607 |
C1=CC=C2C(=C1)C=CC=C2CN3C4=CC=CC=C4N=C3CCN
|
28,303,609 |
C1=CC=C2C(=C1)N=C(N2CC3=C(C=CC=C3Cl)F)CCN
|
28,303,611 |
C1=CC=C(C(=C1)CN2C3=CC=CC=C3N=C2CCN)F
|
28,303,613 |
CC1=CC=CC=C1CN2C3=CC=CC=C3N=C2CCN
|
28,303,615 |
C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)[N+](=O)[O-])CCN
|
28,303,617 |
C1=CC=C2C(=C1)N=C(N2CC3=CC(=C(C=C3)Cl)Cl)CCN
|
28,303,619 |
C1=CC=C2C(=C1)N=C(N2CC3=C(C=CC(=C3Cl)Cl)Cl)CCN
|
28,303,621 |
CC(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CCN
|
28,303,623 |
CC(C)(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CCN
|
28,303,624 |
C1=CC=C2C(=C1)N=C(N2CC3=CC(=CC=C3)C(=O)[O-])CC[NH3+]
|
28,303,625 |
C1=CC=C2C(=C1)N=C(N2CC3=CC(=CC=C3)C(=O)O)CCN
|
28,303,627 |
C1=CC=C(C(=C1)CN2C3=CC=CC=C3N=C2CCN)C#N
|
28,303,629 |
C=CCN1C2=CC=CC=C2N=C1CCN
|
28,303,631 |
CCCN1C2=CC=CC=C2N=C1CCN
|
28,303,633 |
CCCCN1C2=CC=CC=C2N=C1CCN
|
28,303,635 |
CCCCCN1C2=CC=CC=C2N=C1CCN
|
28,303,637 |
CCCCCCN1C2=CC=CC=C2N=C1CCN
|
28,303,639 |
C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C2CCN
|
28,303,641 |
C1=CC=C2C(=C1)N=C(N2CC#N)CCN
|
28,303,643 |
CC(C)N1C2=CC=CC=C2N=C1CCN
|
28,303,645 |
CC(C)CCN1C2=CC=CC=C2N=C1CCN
|
28,303,647 |
CC(C)CN1C2=CC=CC=C2N=C1CCN
|
28,303,649 |
C1=CC=C(C=C1)CCCN2C3=CC=CC=C3N=C2CCN
|
28,303,650 |
C1=CC=C2C(=C1)N=C(N2CCC(=O)[O-])CC[NH3+]
|
28,303,651 |
C1=CC=C2C(=C1)N=C(N2CCC(=O)O)CCN
|
28,303,653 |
CC1=CC(=CC=C1)OCCN2C3=CC=CC=C3N=C2CCN
|
28,303,655 |
CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3N=C2CCN
|
28,303,657 |
C1=CC=C2C(=C1)N=C(N2CCOC3=CC=C(C=C3)Cl)CCN
|
28,303,659 |
COC1=CC=C(C=C1)OCCN2C3=CC=CC=C3N=C2CCN
|
28,303,661 |
CC(C)(C)C1=CC=C(C=C1)OCCN2C3=CC=CC=C3N=C2CCN
|
28,303,663 |
C1=CC=C2C(=C1)C=CC=C2OCCN3C4=CC=CC=C4N=C3CCN
|
28,303,665 |
C1=CC=C(C=C1)OCCCN2C3=CC=CC=C3N=C2CCN
|
28,303,667 |
CC1=CC=C(C=C1)OCCCN2C3=CC=CC=C3N=C2CCN
|
28,303,669 |
C1=CC=C2C(=C1)N=C(N2CCCOC3=CC=C(C=C3)Cl)CCN
|
28,303,671 |
CC1=CC(=CC=C1)OCCCN2C3=CC=CC=C3N=C2CCN
|
28,303,673 |
CCC1=CC=C(C=C1)OCCCN2C3=CC=CC=C3N=C2CCN
|
28,303,675 |
COC1=CC=C(C=C1)OCCCN2C3=CC=CC=C3N=C2CCN
|
28,303,677 |
C1=CC=C(C=C1)OCCCCN2C3=CC=CC=C3N=C2CCN
|
28,303,679 |
CC1=CC(=CC=C1)OCCCCN2C3=CC=CC=C3N=C2CCN
|
28,303,681 |
CC1=CC=C(C=C1)OCCCCN2C3=CC=CC=C3N=C2CCN
|
28,303,683 |
CC1=CC=CC=C1OCCCCN2C3=CC=CC=C3N=C2CCN
|
28,303,685 |
C1=CC=C2C(=C1)N=C(N2CCCCOC3=CC=C(C=C3)Cl)CCN
|
28,303,687 |
C1=CC=C2C(=C1)N=C(N2CCO)CCN
|
28,303,693 |
CC1=C(C(=NO1)C)CN2C3=CC=CC=C3N=C2CCN
|
28,303,695 |
CC(=C)CN1C2=CC=CC=C2N=C1CCN
|
28,303,697 |
C1CCN(C1)CCN2C3=CC=CC=C3N=C2CCN
|
28,303,699 |
C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)C#N)CCN
|
28,303,701 |
C1=CC=C2C(=C1)N=C(N2CCCO)CCN
|
28,303,703 |
CN(C)CCN1C2=CC=CC=C2N=C1CCN
|
28,303,705 |
C1CCN(CC1)CCN2C3=CC=CC=C3N=C2CCN
|
28,303,707 |
CN(C)CCCN1C2=CC=CC=C2N=C1CCN
|
28,303,709 |
C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C4=CC=CC=C4N=C3CCN
|
28,303,711 |
C1COCCN1CCN2C3=CC=CC=C3N=C2CCN
|
28,303,712 |
C1=CC=C2C(=C1)N=C(N2CC(=O)[O-])C[NH3+]
|
28,303,713 |
C1=CC=C2C(=C1)N=C(N2CC(=O)O)CN
|
28,303,723 |
CC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CN
|
28,303,725 |
C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)Cl)CN
|
28,303,727 |
C1=CC=C(C(=C1)CN2C3=CC=CC=C3N=C2CN)Cl
|
28,303,729 |
C1=CC=C2C(=C1)N=C(N2CC3=C(C=CC=C3Cl)Cl)CN
|
28,303,731 |
C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)F)CN
|
28,303,733 |
C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)Br)CN
|
28,303,736 |
C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)C(=O)[O-])C[NH3+]
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.