Pubchem CID
int64 28.3M
56.5M
| SMILES
stringlengths 3
1.87k
|
|---|---|
56,461,494 | CC1=C(C(=CC=C1)NC(=O)/C=C(/C2=CC=CC=C2)\C(F)(F)F)C(=O)N3CCCC3 |
56,461,495 | CC(C)(CNC(=O)C1=CC2=C(C=C1)N=C(N2)C(F)F)C3=CC=C(C=C3)Br |
56,461,496 | CN(C1=CC(=C(C=C1)OC)OC)C(=O)/C=C(/C2=CC=CC=C2)\C(F)(F)F |
56,461,497 | C1CC1(C2=CC=C(C=C2)Br)NC(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F |
56,461,498 | C1=CSC(=C1)C(C2=CC=C(C=C2)F)NC(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F |
56,461,499 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4 |
56,461,500 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=C(N=CC=C3)OCC(F)(F)F |
56,461,501 | C1=CC(=C(N=C1)OCC(F)(F)F)CNC(=O)C2=CC3=C(C=C2)N=C(N3)C(F)F |
56,461,502 | C1=CC=C(C=C1)/C(=C/C(=O)NC2=C(C=C(C=C2)F)Br)/C(F)(F)F |
56,461,503 | CCOC(=O)C1=NN(C(C1)C(=O)NC2=C(C=C(C=C2)F)Br)C3=CC=CC=C3 |
56,461,504 | CN1C=CN=C1SC2=CC=CC=C2NS(=O)(=O)C3=C(C=C4C(=C3)CCC(=O)N4)F |
56,461,505 | CN1C=CN=C1SC2=CC=CC=C2NS(=O)(=O)C3=CC(=C(C=C3)O)C(=O)OC |
56,461,506 | CC1=NC(=NN1)C2=CC(=CC=C2)NC(=O)C3CC4=CC=CC=C4CN3C(=O)CC(C)C |
56,461,507 | CCOC(=O)C1=NN(C(C1)C(=O)NCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3 |
56,461,508 | CC1=NN=NN1C2=CC(=C(C=C2)F)NS(=O)(=O)C3=CC(=CC4=C3CCC4)C(=O)O |
56,461,509 | CC1=NN=NN1C2=CC(=C(C=C2)F)NS(=O)(=O)C3=CC=C(C=C3)C(=O)NCC(F)(F)F |
56,461,510 | CC1=C(C(=CC=C1)[N+](=O)[O-])S(=O)(=O)NC2=C(C=C(C=C2)NC(=O)C)Cl |
56,461,511 | CC(=O)NC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=CC3=C2CCC3)C(=O)O)Cl |
56,461,512 | CS(=O)(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NC2=CC(=NC=C2)SC3=CC=CC=N3 |
56,461,513 | COC1=CC(=C(C=C1)S(=O)(=O)NC2=CC(=NC=C2)SC3=CC=CC=N3)[N+](=O)[O-] |
56,461,514 | C1=CC=C(C(=C1)CNC(=O)C2=CC=C(S2)NC(=O)C3=CC=CO3)C4=CC=C(C=C4)CN5C=CC=N5 |
56,461,515 | CC(C(=O)NCC1=CC=CC=C1C2=CC=C(C=C2)CN3C=CC=N3)NS(=O)(=O)C4=CC=CS4 |
56,461,516 | C1=CC=C(C(=C1)CNC(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2)C4=CC=C(C=C4)CN5C=CC=N5 |
56,461,517 | C1=CC=C(C(=C1)CNC(=O)/C=C/C2=CSC=C2)C3=CC=C(C=C3)CN4C=CC=N4 |
56,461,522 | CCCN1C2=C(C(=CC(=N2)C(C)C)C(=O)NC3=NC(=CS3)C4=CNC(=C4)C(=O)N)C(=O)NC1=O |
56,461,523 | CC(C)CN1C2=C(C(=CC(=N2)C3CC3)C(=O)NC4=NC(=CS4)C5=CNC(=C5)C(=O)N)C(=O)NC1=O |
56,461,524 | CC(C)C1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC3=NC(=CS3)C4=CNC(=C4)C(=O)N |
56,461,525 | C1=CC(=CC(=C1)Cl)N2C=NN=C2SCC(=O)NC3=NC(=CS3)C4=CNC(=C4)C(=O)N |
56,461,526 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2=CC=C(C=C2)N3CCOCC3 |
56,461,527 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)CCC2=CC(=C(C=C2)OCC(F)(F)F)OC |
56,461,528 | CC1=C(SC(=N1)C2=CC(=C(C=C2)OC)OC)C(=O)N(C)C(C)C3=CC(=CC=C3)S(=O)(=O)N |
56,461,529 | CC1=C(N=C(O1)C2=CC=CS2)C(=O)N(C)C(C)C3=CC(=CC=C3)S(=O)(=O)N |
56,461,530 | CC1=CC=C(C=C1)N2C3=C(CCC3)C(=N2)C(=O)N(C)C(C)C4=CC(=CC=C4)S(=O)(=O)N |
56,461,531 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)COC2=CC=CC(=C2)NC(=O)C3CC3 |
56,461,532 | CC1=C(SC2=NC(=NC(=C12)C)C)C(=O)N(C)C(C)C3=CC(=CC=C3)S(=O)(=O)N |
56,461,533 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)COC2=CC3=C(C=C2)OC4=C3CCCC4 |
56,461,534 | CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)N(C)C(C)C3=CC(=CC=C3)S(=O)(=O)N)C |
56,461,535 | CC1=NOC2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)N(C)C(C)C4=CC(=CC=C4)S(=O)(=O)N |
56,461,536 | CC1=C(SC(=C1)NC(=O)C2=CC=CO2)C(=O)N(C)C(C)C3=CC(=CC=C3)S(=O)(=O)N |
56,461,537 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)/C=C/C2=CC=C(C=C2)N3CCCC3=O |
56,461,538 | CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)N(C)C(C)C3=CC(=CC=C3)S(=O)(=O)N)C |
56,461,539 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)/C=C/C2=CC3=C(C(=C2)OC)OCCO3 |
56,461,540 | CC1=CC2=C(C=C1C)OC=C2CC(=O)N(C)C(C)C3=CC(=CC=C3)S(=O)(=O)N |
56,461,541 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3 |
56,461,542 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2=CC(=C(C(=C2)Cl)OC)Cl |
56,461,543 | CC1=NN(C2=C1C=C(S2)C(=O)N(C)C(C)C3=CC(=CC=C3)S(=O)(=O)N)CC4=CC=C(C=C4)F |
56,461,544 | CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N(C)C(C)C3=CC(=CC=C3)S(=O)(=O)N)C)CCC(=O)OC |
56,461,545 | CC1=C(C(=NC(=N1)SC)C)CCC(=O)N(C)C(C)C2=CC(=CC=C2)S(=O)(=O)N |
56,461,546 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCO3 |
56,461,547 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2 |
56,461,548 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2=CC3=C(C=C2)NC4=C3CCCC4 |
56,461,549 | CCN1C2=CC=CC=C2N=C1SCC(=O)N(C)C(C)C3=CC(=CC=C3)S(=O)(=O)N |
56,461,550 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3 |
56,461,551 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)CCSC2=CC=C(C=C2)Cl |
56,461,552 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2=CC=C(C=C2)OC(F)(F)F |
56,461,553 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)/C=C/C2=CC(=C(C=C2)OC(F)F)OC |
56,461,554 | CCCOC1=C(C=C(C=C1Cl)/C=C/C(=O)N(C)C(C)C2=CC(=CC=C2)S(=O)(=O)N)OC |
56,461,555 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)/C=C/C2=CC=CC=C2Br |
56,461,556 | CC(C)NS(=O)(=O)C1=CC=CC(=C1)C(=O)N(C)C(C)C2=CC(=CC=C2)S(=O)(=O)N |
56,461,557 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)CCCN2C3=CC=CC=C3OC2=O |
56,461,558 | C1CCN(C1)C2=C(C(=CC=C2)F)NC(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4CC4 |
56,461,559 | CC1=CC=C(C=C1)N2C3=C(CCC3)C(=N2)C(=O)NC4=C(C=CC=C4F)N5CCCC5 |
56,461,560 | C1CCN(C1)C2=C(C(=CC=C2)F)NC(=O)C3=CC(=CC=C3)NC(=O)C4=CN=CC=C4 |
56,461,561 | CC1CN(CC(O1)C)CC2=CC=C(C=C2)C(=O)NC3=C(C=CC=C3F)N4CCCC4 |
56,461,562 | C1CCN(C1)C2=C(C(=CC=C2)F)NC(=O)C3CCCN(C3)C(=O)NC4=CC=CC=C4 |
56,461,563 | C1CCN(C1)C2=C(C(=CC=C2)F)NC(=O)/C=C/C3=CC4=C(C(=C3)Cl)OCCO4 |
56,461,564 | C=CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C=CC=C2F)N3CCCC3 |
56,461,565 | CNS(=O)(=O)C1=C(C=CC(=C1)/C=C/C(=O)NC2=C(C=CC=C2F)N3CCCC3)OC |
56,461,566 | C1CCN(C1)C2=C(C(=CC=C2)F)NC(=O)C3=CSC(=N3)C4=CC=C(C=C4)Cl |
56,461,567 | C1CCN(C1)C2=C(C(=CC=C2)F)NC(=O)C3=NN(C4=C3CCC4)C5=CC=CC=C5F |
56,461,568 | CN(C)C1CCCN(C1)C(=O)C2=NN(C(=C2)C3=CC=CO3)C4=CC(=CC=C4)Cl |
56,461,569 | CN(C)C1CCCN(C1)C(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3 |
56,461,570 | CN(C)C1CCCN(C1)C(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=C3Cl |
56,461,571 | CC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC=C3C(=O)N4CCCC(C4)N(C)C |
56,461,572 | CN(C)C1CCCN(C1)C(=O)/C=C/C2=CC=C(S2)C3=CC=CC=C3 |
56,461,573 | CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCCC(C3)N(C)C)F |
56,461,574 | C1=CC(=CC=C1C(=O)NCCC(=O)NCCCC2=NC(=CS2)C3=CC=NC=C3)Br |
56,461,575 | CCOC1=C(C=C(C=C1Cl)C(=O)NCCCC2=NC(=CS2)C3=CC=NC=C3)OC |
56,461,576 | CC1=CC=CC=C1CC(=O)NCCCC2=NC(=CS2)C3=CC=NC=C3 |
56,461,577 | CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCCCC2=NC(=CS2)C3=CC=NC=C3 |
56,461,578 | CC(C)[C@@H](C(=O)NCCCC1=NC(=CS1)C2=CC=NC=C2)NS(=O)(=O)C3=CC=CC=C3F |
56,461,579 | CCC1=CC=C(C=C1)C(=O)CCC(=O)NCCCC2=NC(=CS2)C3=CC=NC=C3 |
56,461,580 | CC1=CC=C(C=C1)OC(C)C(=O)NCCCC2=NC(=CS2)C3=CC=NC=C3 |
56,461,581 | C1=CC=C2C=C(C=CC2=C1)CC(=O)NCCCC3=NC(=CS3)C4=CC=NC=C4 |
56,461,582 | CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCC3=NC(=CS3)C4=CC=NC=C4 |
56,461,583 | C1CCC2=C(C1)C3=C(O2)C=CC(=C3)OCC(=O)NCCCC4=NC(=CS4)C5=CC=NC=C5 |
56,461,584 | CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)/C=C(/C3=CC=CC=C3)\C(F)(F)F |
56,461,585 | CN(CC1=CC(=CC=C1)Cl)C(=O)/C=C(/C2=CC=CC=C2)\C(F)(F)F |
56,461,586 | C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CN5C=CN=C5C=C4 |
56,461,587 | CC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F |
56,461,588 | C1CCC(C1)OC2=CC=CC(=C2)CCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] |
56,461,589 | C1=CC=C(C=C1)/C(=C/C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])/C(F)(F)F |
56,461,590 | CN(OC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)/C=C(/C2=CC=CC=C2)\C(F)(F)F |
56,461,591 | C1=CC=C(C=C1)/C(=C/C(=O)NCCNC2=CC=CC=C2[N+](=O)[O-])/C(F)(F)F |
56,461,592 | CN1C2=C(C=C(C=N2)NC(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F)C(=O)N(C1=O)C |
56,461,593 | CN1C2=C(C=C(C=N2)NC(=O)/C=C(/C3=CC=CC=C3)\C(F)(F)F)C(=O)N(C1=O)C |
56,461,594 | CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3CC4=CC=CC=C4CN3C(=O)CC(C)C)C |
56,461,595 | CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3)N4CCCC4)C |
56,461,596 | C1CCC2=NN=C(N2CC1)C3=C(C=CC(=C3)NC(=O)C(C4=CC=CC=C4)N5CCCC5)F |
56,461,597 | C1CCC2=NN=C(N2CC1)C3=C(C=CC(=C3)NC(=O)C4=CC5=C(C=C4)N=C(N5)C(F)F)F |