Pubchem CID
int64 28.3M
56.5M
| SMILES
stringlengths 3
1.87k
|
---|---|
56,461,287 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)/C=C/C2=CC=C(S2)C3=CC=CC=C3 |
56,461,288 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)/C=C/C2=C(C(=CC=C2)OC)OC(F)F |
56,461,289 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-] |
56,461,290 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)CSC2=CC3=C(CCC3)C=C2 |
56,461,291 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3 |
56,461,292 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)CCOC2=CC(=CC=C2)Br |
56,461,293 | CC1=C(C=C(C=C1)C(=O)N(C)C(C)C2=CC(=CC=C2)S(=O)(=O)N)S(=O)(=O)N3CCCCC3 |
56,461,294 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4 |
56,461,295 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)/C=C/C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4 |
56,461,296 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)/C=C/C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4 |
56,461,297 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C(C)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
56,461,298 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC |
56,461,299 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)COC2=CC=C(C=C2)Br |
56,461,300 | CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)/C=C/C(=O)N(C)C(C)C3=CC(=CC=C3)S(=O)(=O)N)OC |
56,461,301 | CC1=CC(=C(N1C2=CC(=CC=C2)OC)C)C(=O)NC3=C(C=CC=C3F)N4CCCC4 |
56,461,302 | CCOC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)N3CCCC3)OCC4=CN=CC=C4 |
56,461,303 | CC1=CC=C(C=C1)C2=C(SC(=N2)C)CC(=O)NC3=C(C=CC=C3F)N4CCCC4 |
56,461,304 | CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)N3CCCC3)OC |
56,461,305 | COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)N3CCCC3)S(=O)(=O)NC4CC4 |
56,461,306 | CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NC3=C(C=CC=C3F)N4CCCC4 |
56,461,307 | CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)NC3=C(C=CC=C3F)N4CCCC4 |
56,461,308 | CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)NC3=C(C=CC=C3F)N4CCCC4 |
56,461,309 | C1CCN(C1)C2=C(C(=CC=C2)F)NC(=O)CCC(=O)N3CCC4=C(C3)C=CS4 |
56,461,310 | COC1=C(C(=C(C=C1)CCC(=O)NC2=C(C=CC=C2F)N3CCCC3)OC)OC |
56,461,311 | CN(C)C1CCCN(C1)C(=O)C2(CCCC2)C3=CC(=CC=C3)C(F)(F)F |
56,461,312 | CN(C)C1CCCN(C1)C(=O)C2=CC(=C(C=C2)OCC(=O)NC3=CC=CC=C3OC)OC |
56,461,313 | CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CCC(=O)N3CCCC(C3)N(C)C)C |
56,461,314 | CN(C)C1CCCN(C1)C(=O)/C=C/C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4 |
56,461,315 | CN(C)C1CCCN(C1)C(=O)C2=CC3=C(S2)CCCCCC3 |
56,461,316 | CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)N3CCCC(C3)N(C)C |
56,461,317 | CN(C)C1CCCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)OC |
56,461,318 | CN(C)C1CCCN(C1)C(=O)C2=C(C=CC(=C2)CN3C(=O)C4=CC=CC=C4C3=O)OC |
56,461,319 | CN(C)C1CCCN(C1)C(=O)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)OC |
56,461,320 | CN(C)C1CCCN(C1)C(=O)C2=CC=CC=C2SCC(=O)N(C)C3CCCCC3 |
56,461,321 | C1=CC(=CC=C1C(=O)NCCCC2=NC(=CS2)C3=CC=NC=C3)C(F)(F)F |
56,461,322 | CC1=C(SC(=N1)C2=CSC=C2)C(=O)NCCCC3=NC(=CS3)C4=CC=NC=C4 |
56,461,323 | C1COCCN1C2=C(C=C(S2)C(=O)NCCCC3=NC(=CS3)C4=CC=NC=C4)C5=CC=CC=C5 |
56,461,324 | C1=CC(=C(C=C1F)C(=O)NCCCC2=NC(=CS2)C3=CC=NC=C3)Br |
56,461,325 | C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCCCC3=NC(=CS3)C4=CC=NC=C4 |
56,461,326 | CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NCCCC2=NC(=CS2)C3=CC=NC=C3 |
56,461,327 | CC1=C(C=CC(=C1)Br)NC(=O)/C=C(/C2=CC=CC=C2)\C(F)(F)F |
56,461,328 | CN(CC1=CC=CC=C1Cl)C(=O)/C=C(/C2=CC=CC=C2)\C(F)(F)F |
56,461,329 | CN(CC1=C(C=CC=C1Cl)F)C(=O)/C=C(/C2=CC=CC=C2)\C(F)(F)F |
56,461,330 | C1=CC=C(C=C1)/C(=C\C(=O)NC2=CC=C(C=C2)C3=NC=CS3)/C(F)(F)F |
56,461,331 | CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)N=C(N3)C(F)F)OCC |
56,461,332 | CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC3=CC(=CC=C3)OC4CCCC4 |
56,461,333 | CC1=C(C=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)CC(C)C)[N+](=O)[O-] |
56,461,334 | C1CN(CCN1C(=O)C2=CN3C=CN=C3C=C2)S(=O)(=O)C4=C(C=C(C=C4)F)F |
56,461,335 | C1CN(CCN1C(=O)/C=C(/C2=CC=CC=C2)\C(F)(F)F)S(=O)(=O)C3=C(C=C(C=C3)F)F |
56,461,336 | COC1=CC=CC(=C1OC)CN2C(=CC=N2)NC(=O)/C=C(/C3=CC=CC=C3)\C(F)(F)F |
56,461,337 | C1=CC(=C(C(=C1)Cl)Cl)CN2C(=CC=N2)NC(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F |
56,461,338 | C1CN(S(=O)(=O)C1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F |
56,461,339 | C1CN(S(=O)(=O)C1)C2=CC=C(C=C2)NC(=O)/C=C(\C3=CC=CC=C3)/C(F)(F)F |
56,461,340 | CCOC(=O)C1=NN(C(C1)C(=O)N2CCC3=C2C=CC(=C3)C(=O)OC)C4=CC=CC=C4 |
56,461,341 | COC1=C(C=C(C=C1)NC(=O)/C=C(/C2=CC=CC=C2)\C(F)(F)F)OC(F)F |
56,461,342 | CC(C1CC2CCC1C2)NC(=O)C(C3=CC=CC=C3)N4CCCC4 |
56,461,343 | CC(C1CC2CCC1C2)NC(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F |
56,461,344 | CCNC(=O)C1=CC(=CC=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)CC(C)C |
56,461,345 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC(C)C3=C(C=C(C=C3)F)F |
56,461,346 | CCOC(=O)C1=NN(C(C1)C(=O)NC2=NC(=CS2)C3=CC=C(S3)CNC(=O)C)C4=CC=CC=C4 |
56,461,347 | C1=CC=C(C=C1)/C(=C\C(=O)NCCOC2=CC=C(C=C2)Cl)/C(F)(F)F |
56,461,348 | C1CCC(C1)OC2=CC=CC(=C2)CCC(=O)NC(C3=CC=CC=C3)C4=CC=CO4 |
56,461,349 | C1=CC=C(C=C1)C(C2=CC=CO2)NC(=O)/C=C(\C3=CC=CC=C3)/C(F)(F)F |
56,461,350 | C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)C4=CC5=C(C=C4)N=C(N5)C(F)F |
56,461,351 | C1=CC=C(C=C1)/C(=C\C(=O)NC2=CC=CC=C2C3=CC=CS3)/C(F)(F)F |
56,461,352 | C1=CC2=C(C=C1C(=O)NC3=C(C=CC(=C3)Cl)OCC(F)(F)F)NC(=N2)C(F)F |
56,461,353 | C1CCC2=NN=C(N2CC1)C3=C(C=CC(=C3)NC(=O)/C=C(/C4=CC=CC=C4)\C(F)(F)F)F |
56,461,354 | CC1=CC(=CC=C1)CNC(=O)/C=C(/C2=CC=CC=C2)\C(F)(F)F |
56,461,355 | C1CC1NC(=O)C2=CC=C(C=C2)CN(C3CC3)C(=O)C4=CC5=C(C=C4)N=C(N5)C(F)F |
56,461,358 | CC1=NC(=CS1)C2=CC=C(C=C2)CCNC(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F |
56,461,359 | CC1=CC(=CC=C1)OCCCNC(=O)C2CC3=CC=CC=C3CN2C(=O)CC(C)C |
56,461,360 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CN=C(C=C3)N4C=NC=N4 |
56,461,361 | CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C2CC3=CC=CC=C3CN2C(=O)CC(C)C |
56,461,362 | CCOC(=O)C1=NN(C(C1)C(=O)NC2=CC=CC(=C2)CN3CCCC3=O)C4=CC=CC=C4 |
56,461,363 | CC1=CC(=CC=C1)CN2C(=CC=N2)NC(=O)/C=C(/C3=CC=CC=C3)\C(F)(F)F |
56,461,364 | CCN(CC)C(=O)C1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=C(N3)C(F)F)Cl |
56,461,365 | CCN(CC)C(=O)C1=C(C=C(C=C1)NC(=O)/C=C(/C2=CC=CC=C2)\C(F)(F)F)Cl |
56,461,366 | C1=CC=C(C=C1)COCC2=CC=CC=C2CNC(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F |
56,461,367 | C1=CC=C(C=C1)COCC2=CC=CC=C2CNC(=O)/C=C(\C3=CC=CC=C3)/C(F)(F)F |
56,461,368 | CN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F |
56,461,369 | CN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)/C=C(/C3=CC=CC=C3)\C(F)(F)F |
56,461,370 | C1=CC=C(C=C1)CC(C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F |
56,461,371 | CC1CCC(CC1)N(C)C(=O)/C=C(/C2=CC=CC=C2)\C(F)(F)F |
56,461,372 | C1CN(CCN1C(=O)C2=CC3=C(C=C2)N=C(N3)C(F)F)S(=O)(=O)C4=CN=CC=C4 |
56,461,373 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC=C(C=C3)NC(=O)C(C)C |
56,461,374 | CCC1=C(SC(=N1)NC(=O)/C=C(/C2=CC=CC=C2)\C(F)(F)F)C |
56,461,375 | CN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F)C(F)(F)F |
56,461,376 | CN1C=CN=C1SC2=CC=CC=C2NS(=O)(=O)C3=C(C(=CC=C3)Cl)F |
56,461,377 | CC1=C(SC(=C1)S(=O)(=O)NC2=CC=CC=C2SC3=NC=CN3C)C(=O)O |
56,461,378 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)OCC4=NC=CN4C |
56,461,379 | CCOC(=O)C1=NN(C(C1)C(=O)NCC(=O)NCC(F)(F)F)C2=CC=CC=C2 |
56,461,380 | CC1=NN=NN1C2=CC(=C(C=C2)F)NS(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-] |
56,461,381 | CC1=NN=NN1C2=CC(=C(C=C2)F)NS(=O)(=O)C3=CN(N=C3)C4=CC=CC=C4 |
56,461,382 | CC(=O)NC1=CC(=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCC3)Cl |
56,461,383 | CC(=O)NC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)Br)OC)Cl |
56,461,384 | C1=CC=C(C(=C1)OC(F)(F)F)S(=O)(=O)NC2=CC(=NC=C2)SC3=CC=CC=N3 |
56,461,385 | C1=CC=NC(=C1)SC2=NC=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)OC(F)(F)F |
56,461,386 | C1=CC=C(C(=C1)CNC(=O)C2=CC=CC=C2N3C=NN=N3)C4=CC=C(C=C4)CN5C=CC=N5 |
56,461,387 | C1=CC=C(C=C1)CC(C(=O)NCC2=CC=CC=C2C3=CC=C(C=C3)CN4C=CC=N4)N5C=NN=N5 |
56,461,388 | C1=CC=C(C(=C1)CNC(=O)CSC2=NC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)CN4C=CC=N4 |