Pubchem CID
int64 28.3M
56.5M
| SMILES
stringlengths 3
1.87k
|
|---|---|
28,303,180 | C1CCN(CC1)CCSC2=NN=C3N2C=C(C=C3)N |
28,303,182 | CN(C)CCCSC1=NN=C2N1C=C(C=C2)N |
28,303,183 | C1COCCN1CCSC2=NN=C3N2C=C(C=C3)N |
28,303,184 | C1=CC=C2C(=C1)C(=CN2)C(=O)CSC3=NN=C4N3C=C(C=C4)N |
28,303,185 | C1=CC=C(C(=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N)Cl |
28,303,186 | C1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N |
28,303,187 | C1=CC(=CC=C1NC(=O)CSC2=NN=C3N2C=C(C=C3)N)Cl |
28,303,188 | CC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N |
28,303,189 | CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N |
28,303,190 | CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N)C |
28,303,191 | CC1=C(C=CC(=C1)Cl)NC(=O)CSC2=NN=C3N2C=C(C=C3)N |
28,303,192 | CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N)C |
28,303,193 | C1=CC(=CC=C1NC(=O)CSC2=NN=C3N2C=C(C=C3)N)F |
28,303,194 | CCOC1=CC=CC=C1NC(=O)CSC2=NN=C3N2C=C(C=C3)N |
28,303,195 | CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=C3N2C=C(C=C3)N |
28,303,196 | CC(C)C1=CC=CC=C1NC(=O)CSC2=NN=C3N2C=C(C=C3)N |
28,303,197 | CCC1=CC=CC=C1NC(=O)CSC2=NN=C3N2C=C(C=C3)N |
28,303,198 | COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N)OC |
28,303,199 | C1=CC(=CC(=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N)C(F)(F)F |
28,303,200 | C1=CC=C(C(=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N)F |
28,303,201 | CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N |
28,303,202 | CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C3N2C=C(C=C3)N |
28,303,203 | CC1=CC(=CC=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N |
28,303,204 | CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C3N2C=C(C=C3)N |
28,303,206 | C1=CC(=CC=C1C(=O)O)NC(=O)CSC2=NN=C3N2C=C(C=C3)N |
28,303,207 | COC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N |
28,303,208 | COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C3N2C=C(C=C3)N |
28,303,209 | C1=CC(=C(C=C1Cl)NC(=O)CSC2=NN=C3N2C=C(C=C3)N)Cl |
28,303,210 | C1=CC=C2C(=C1)C=CC=C2NC(=O)CSC3=NN=C4N3C=C(C=C4)N |
28,303,211 | COC1=CC=CC=C1NC(=O)CSC2=NN=C3N2C=C(C=C3)N |
28,303,212 | C1=CC(=C(C=C1NC(=O)CSC2=NN=C3N2C=C(C=C3)N)Cl)F |
28,303,213 | CC1=CC=CC=C1NC(=O)CSC2=NN=C3N2C=C(C=C3)N |
28,303,214 | C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NN=C4N3C=C(C=C4)N |
28,303,215 | C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CSC2=NN=C3N2C=C(C=C3)N |
28,303,216 | C1=CC2=NN=C(N2C=C1N)SCC(=O)NC3=CC(=CC(=C3)Cl)Cl |
28,303,217 | CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C3N2C=C(C=C3)N |
28,303,218 | COC1=C(C=C(C=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N)Cl |
28,303,219 | CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NN=C3N2C=C(C=C3)N)C |
28,303,220 | CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N |
28,303,221 | CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N)C |
28,303,222 | CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C3N2C=C(C=C3)N |
28,303,223 | COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C3N2C=C(C=C3)N |
28,303,224 | C1=CC(=C(C(=C1)Cl)Cl)NC(=O)CSC2=NN=C3N2C=C(C=C3)N |
28,303,225 | C1=CC(=C(C=C1NC(=O)CSC2=NN=C3N2C=C(C=C3)N)Cl)Cl |
28,303,226 | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N)Cl |
28,303,227 | C1=CC(=CC(=C1)Cl)NC(=O)CSC2=NN=C3N2C=C(C=C3)N |
28,303,228 | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N)C |
28,303,229 | COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C3N2C=C(C=C3)N |
28,303,271 | C1=CC2=NN=C(N2C=C1N)SCC(=O)O |
28,303,276 | C1=CC=C(C=C1)CSC2=NN=C3N2C=C(C=C3)N |
28,303,277 | C1=CC(=CC=C1CSC2=NN=C3N2C=C(C=C3)N)F |
28,303,278 | C1=CC(=CC=C1CSC2=NN=C3N2C=C(C=C3)N)Br |
28,303,279 | C1=CC(=CC(=C1)Cl)CSC2=NN=C3N2C=C(C=C3)N |
28,303,280 | COC(=O)C1=CC=C(C=C1)CSC2=NN=C3N2C=C(C=C3)N |
28,303,282 | C1=CC(=CC=C1CSC2=NN=C3N2C=C(C=C3)N)C(=O)O |
28,303,283 | CC(C)OC(=O)C1=CC=C(C=C1)CSC2=NN=C3N2C=C(C=C3)N |
28,303,284 | CC(C)C1=CC=C(C=C1)CSC2=NN=C3N2C=C(C=C3)N |
28,303,285 | CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C3N2C=C(C=C3)N |
28,303,286 | CCOC(=O)C1=CC=C(C=C1)CSC2=NN=C3N2C=C(C=C3)N |
28,303,287 | CCCOC(=O)C1=CC=C(C=C1)CSC2=NN=C3N2C=C(C=C3)N |
28,303,289 | C1=CC(=CC(=C1)C(=O)O)CSC2=NN=C3N2C=C(C=C3)N |
28,303,290 | COC(=O)C1=CC=CC(=C1)CSC2=NN=C3N2C=C(C=C3)N |
28,303,291 | CCOC(=O)C1=CC=CC(=C1)CSC2=NN=C3N2C=C(C=C3)N |
28,303,292 | CC(C)OC(=O)C1=CC=CC(=C1)CSC2=NN=C3N2C=C(C=C3)N |
28,303,293 | CCCOC(=O)C1=CC=CC(=C1)CSC2=NN=C3N2C=C(C=C3)N |
28,303,294 | C=CCSC1=NN=C2N1C=C(C=C2)N |
28,303,295 | C1=CC2=NN=C(N2C=C1N)SCC#N |
28,303,296 | C1=CC2=NN=C(N2C=C1N)SCCO |
28,303,297 | CC(=C)CSC1=NN=C2N1C=C(C=C2)N |
28,303,299 | CN1C(=O)COC2=C1C=C(C=C2)C(=O)CSC3=NN=C4N3C=C(C=C4)N |
28,303,302 | C1=CC=C(C=C1)C(=O)CSC2=NN=C3N2C=C(C=C3)N |
28,303,303 | CC1=CC=C(C=C1)C(=O)CSC2=NN=C3N2C=C(C=C3)N |
28,303,304 | C1=CC(=CC=C1C(=O)CSC2=NN=C3N2C=C(C=C3)N)Cl |
28,303,305 | C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CSC3=NN=C4N3C=C(C=C4)N |
28,303,306 | COC1=CC=CC(=C1)C(=O)CSC2=NN=C3N2C=C(C=C3)N |
28,303,307 | COC1=CC(=C(C=C1)C(=O)CSC2=NN=C3N2C=C(C=C3)N)OC |
28,303,308 | C1=CC(=CC=C1C(=O)CSC2=NN=C3N2C=C(C=C3)N)Br |
28,303,310 | C1CCN(C1)CCSC2=NN=C3N2C=C(C=C3)N |
28,303,311 | C1CN(CC2=CC=CC=C21)C(=O)CSC3=NN=C4N3C=C(C=C4)N |
28,303,312 | C1=CC(=CC=C1CSC2=NN=C3N2C=C(C=C3)N)C#N |
28,303,313 | C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NN=C4N3C=C(C=C4)N |
28,303,315 | CN(C)CCSC1=NN=C2N1C=C(C=C2)N |
28,303,316 | CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN=C3N2C=C(C=C3)N |
28,303,317 | CC1=C(SC(=N1)NC(=O)CSC2=NN=C3N2C=C(C=C3)N)C(=O)C |
28,303,319 | CC(=O)NC1=CN=C(C=C1)S(=O)(=O)CC(=O)O |
28,303,321 | CC1=CC2=C(C=C1C)N(N=N2)CC3=CC=C(C=C3)C(=O)O |
28,303,323 | CC1=CC2=C(C=C1C)N(N=N2)CC3=CC=C(O3)C(=O)O |
28,303,325 | CC1=CC2=C(C=C1C)N(N=N2)CC3=CC(=CC=C3)C(=O)O |
28,303,326 | CC1=CC=C(C=C1)C2=CN3C=CC=C(C3=N2)N |
28,303,327 | CC1=C(C=C(C=C1)C2=CN3C=CC=C(C3=N2)N)C |
28,303,328 | CCC1=CC=C(C=C1)C2=CN3C=CC=C(C3=N2)N |
28,303,329 | CC(C)C1=CC=C(C=C1)C2=CN3C=CC=C(C3=N2)N |
28,303,330 | C1CCC2=C(C1)C=CC(=C2)C3=CN4C=CC=C(C4=N3)N |
28,303,331 | C1=CN2C=C(N=C2C(=C1)N)C3=CC=C(C=C3)Br |
28,303,332 | C1=CN2C=C(N=C2C(=C1)N)C3=CC=C(C=C3)F |
28,303,333 | C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CN4C=CC=C(C4=N3)N |
28,303,334 | C1=CN2C=C(N=C2C(=C1)N)C3=C(C=C(C=C3)Cl)Cl |
28,303,335 | C1=CC=C2C=C(C=CC2=C1)C3=CN4C=CC=C(C4=N3)N |
28,303,336 | CC1=CC(=C(C=C1)C2=CN3C=CC=C(C3=N2)N)C |
28,303,337 | C1COC2=C(O1)C=CC(=C2)C3=CN4C=CC=C(C4=N3)N |