CID int64 199 136M | smiles stringlengths 8 226 |
|---|---|
665,157 | CC(=O)NCC/N=C(\C)c1sc2ccccc2c1O |
665,158 | O=C(CSc1nc2ncc(Br)cc2[nH]1)Nc1ccc2c(c1)OCO2 |
665,159 | CCOC(=O)Nc1nnc(-c2ccc(OC)c(OC)c2)s1 |
665,178 | CCOC(=O)c1sc(NC(=O)CSc2n[nH]c(-c3ccccc3)n2)c(C#N)c1C |
665,180 | CCCCC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1 |
665,185 | Cc1ccc(S(=O)(=O)c2c(N)n(C)c3nc4ccccc4nc23)cc1 |
665,186 | CCn1c(=O)c(C(C)=O)nc2ccccc21 |
665,193 | COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccco3)C3CCCCC3)cc2c1 |
665,195 | CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)C(C)(C)C |
665,197 | CCOc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)C(=O)C2CCCO2)cc1 |
665,203 | COc1ccc2nc(CC(C)(C)CC(=O)O)c[n+]([O-])c2c1 |
665,205 | O=C(O)c1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 |
665,206 | CCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)Cc1ccc(OC)cc1 |
665,212 | CCCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1ccco1 |
665,213 | Cc1cc2nc(NC3=NCN(CCCN4CCOCC4)CN3)nc(C)c2cc1C |
665,215 | COc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)C(=O)c2cccnc2)cc1 |
665,224 | CC(=O)Nc1nn(C)c2nc3cc(C)ccc3cc12 |
665,240 | CCn1nc(-c2ccccc2)c2nc3ccccc3nc21 |
665,245 | CCOc1cc(C(=O)N(C)Cc2cc3cc(OC)ccc3[nH]c2=O)cc(OCC)c1OCC |
665,254 | COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccn3)c3ccccc3)cc2c1 |
665,255 | CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1CCC2(CC1)OCCO2 |
665,258 | COCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1ccc(C)cc1 |
665,259 | COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccn3)C3CCCCC3)cc2c1 |
665,265 | Cc1cc(OCc2nn[nH]n2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 |
665,266 | Cc1cc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n2c(nc3ccccc32)c1C#N |
665,268 | CCn1nc(NC(=O)c2ccccn2)c2cc3cccc(C)c3nc21 |
665,274 | CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1CCCC(C)C1 |
665,278 | COc1cc2c(cc1OC)-c1cc(NCc3ccccn3)nc(=O)n1CC2 |
665,282 | COc1ccc(CC(=O)N(Cc2cc3cc(OC)ccc3[nH]c2=O)C(C)C)cc1 |
665,288 | OCCN1CCN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)CC1 |
665,290 | Cc1c(C)c2cc(Cl)c(OCc3nn[nH]n3)cc2oc1=O |
665,294 | NC1C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)CC12 |
665,296 | Cc1oc(C)c2c(=O)ccc3c(c12)OC(N)=C(C#N)C3c1ccccc1 |
665,302 | O=C1NC(=O)[C@@H]2C3c4ccccc4C=CN3[C@H](C(=O)c3cccs3)[C@H]12 |
665,305 | CCCC(=O)Nc1nn(C)c2nc3cc(C)ccc3cc12 |
665,310 | O=c1cc(CN2CCN(c3ccccc3)CC2)c2c(ccc3ccccc32)o1 |
665,332 | Cc1cc(N2CCC(C)CC2)n2ncc(-c3ccccc3)c2n1 |
665,336 | CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1CCN(c2ccccn2)CC1 |
665,344 | COc1ccc2nc3c(cc2c1)c(NC(=O)C1CCCO1)nn3CC(C)C |
665,350 | O=S(=O)(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1 |
665,352 | COc1cccc(-n2cc3c(c2-c2ccccc2)c(=O)n(C)c(=O)n3C)c1 |
665,354 | CCN(CC)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 |
665,355 | COCCNc1nc(-n2nc(C)cc2C)nc2sc3c(c12)CCCC3 |
665,361 | Cc1ccc(S(=O)(=O)c2cc3c(=O)n4cc(C)ccc4nc3n(CC3CCCO3)c2=N)cc1 |
665,362 | O=C1NCCCC1C(=O)Nc1ccccn1 |
665,363 | CC1(C)Cc2c(sc3c2c(=N)n(Cc2ccco2)c(=O)n3Cc2ccccc2)CO1 |
665,368 | COc1ccc2[nH]c(=O)c(CN(C(=O)COc3ccccc3)C(C)C)cc2c1 |
665,375 | Cc1cc(N2CCOCC2)n2nc(C)c(-c3ccccc3)c2n1 |
665,388 | COC(=O)c1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCO)cc1 |
665,390 | Cc1ccc2cc3c(NC(=O)c4ccco4)nn(C)c3nc2c1 |
665,392 | CC(=O)c1c(COC(=O)c2cccnc2)nc2ccccc2[n+]1[O-] |
665,393 | Cc1cc(C)n(-c2nc3sc4c(c3c3nnc(SCC(N)=O)n23)CC(C)(C)OC4)n1 |
665,397 | CCCCc1cc(=O)oc2cc(C)cc(OCc3nn[nH]n3)c12 |
665,406 | COc1ccccc1NC(=O)C1CC(=O)OC1c1ccccc1 |
665,411 | CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1CCN(c2ccccc2)CC1 |
665,417 | Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCc3nn[nH]n3)ccc12 |
665,418 | CCCCC(=O)Nc1nn(CCC)c2nc3ccccc3cc12 |
665,419 | COc1ccc(C)cc1NC(=O)CSc1nnc(COc2ccc(C)cc2)n1Cc1ccco1 |
665,421 | Clc1ccc(C2=Nn3c(nnc3-c3n[nH]c4c3CCC4)SC2)cc1 |
665,431 | O=C(c1ccc(Cl)cc1)C1C2C(=O)N(c3ccccc3)C(=O)C2C2CCCN21 |
665,434 | Cc1cc(C)n(-c2nc(NCCO)c3c4c(sc3n2)CCCC4)n1 |
665,448 | CCCCn1/c(=N/C(=O)c2ccc3c(c2)OCO3)c(C#N)cc2c(=O)n3cccc(C)c3nc21 |
665,451 | C1=C(c2ccc(-c3ccccc3)cc2)Nc2ncnn2C1c1ccco1 |
665,452 | COC(=O)CSc1nnc2c3c4c(sc3nc(-n3nc(C)cc3C)n12)COC(C)(C)C4 |
665,453 | Cn1c(O)c(/C=N/C2C(=O)C3(C)CCC2C3(C)C)c(=O)n(C)c1=O |
665,455 | CCN(CC)C(=O)CSc1ncnc2c1cnn2Cc1ccccc1 |
665,460 | Cc1oc(C)c2c(=O)ccc3c(c12)OC(N)=C(C#N)C3c1ccccc1Cl |
665,492 | COc1ccc(CCn2c(N)c(C#N)c3nc4ccccc4nc32)cc1OC |
665,497 | Cc1ccc(S(=O)(=O)c2cc3c(=O)n4cccc(C)c4nc3n(Cc3ccco3)c2=N)cc1C |
665,500 | COc1cccc2[nH]c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc3c12 |
665,503 | Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(CC3CCCO3)c2=N)cc1C |
665,510 | CCOc1ccccc1-c1nc(-c2cc3ccccc3nc2OC)no1 |
665,517 | Cc1ccc2c(c1)c1ncnc(N3CCC4(CC3)OCCO4)c1n2C |
665,518 | Cc1cc(C)n(-c2nc(NCCCO)c3c4c(sc3n2)CCCC4)n1 |
665,532 | COc1nc2ccccc2cc1-c1noc(-c2cccnc2)n1 |
665,540 | Cc1ccc2c(c1)c1ncnc(N3CCN(c4ccccc4)CC3)c1n2C |
665,544 | COc1ccc2c(c1)c1ncnc(N(C)C)c1n2C |
665,553 | COc1ccc(S(=O)(=O)N(Cc2ccc(OC)c(OC)c2)Cc2ccco2)cc1 |
665,555 | Cc1nc(SCC(=O)Nc2ccc(C)c(F)c2)c2oc3ccccc3c2n1 |
665,558 | Cc1cc(N2CCN(C(=O)c3ccco3)CC2)n2ncc(-c3ccccc3)c2n1 |
665,580 | Cc1ccc2c(c1)c1ncnc(N3CCOCC3)c1n2C |
665,583 | CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SCc2c(F)cccc2Cl)o1 |
665,589 | CC(=O)c1ccc(N2C(=O)C3C(C2=O)C(C(=O)c2ccc(Cl)cc2)N2CCCC32)cc1 |
665,595 | O=C1CC(c2ccco2)Cc2nc(Nc3nc(-c4ccccc4)c4ccccc4n3)ncc21 |
665,596 | CCOC(=O)N1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1 |
665,598 | COc1ccc2c(c1)c1ncnc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c1n2C |
665,604 | Cc1cc(N2CCCCC2)n2nc(C)c(-c3ccccc3)c2n1 |
665,607 | Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccccc1)n2CC(O)c1ccccc1 |
665,610 | CCc1nc(SCC(=O)NCC2CCCO2)c2oc3ccccc3c2n1 |
665,618 | CCN(CC)c1ccc(-c2nn3c(-c4n[nH]c5c4CCC5)nnc3s2)cc1 |
665,634 | CCN(CC)c1nc2ccccc2nc1C(C#N)C(=O)NCCCOC |
665,640 | Cc1cc(C)n(-c2nc(NCC3CCCO3)c3c4c(sc3n2)COC(C)(C)C4)n1 |
665,641 | COC(=O)Cc1nnc(NC(=O)c2ccccc2)s1 |
665,642 | Cc1cc(C)n(-c2nc(NCC(C)O)c3c4c(sc3n2)CCCC4)n1 |
665,643 | CSc1nnc2c3c4c(sc3nc(-n3nc(C)cc3C)n12)COC(C)(C)C4 |
665,652 | COC(=O)CNC(=O)c1ccc(=O)oc1 |
665,653 | COc1cc2c(cc1OC)-c1cc(Nc3ccc4c(c3)OCCO4)nc(=O)n1CC2 |
665,657 | Cc1ccc2cc3c(NC(=O)CC(C)C)nn(C)c3nc2c1 |
665,658 | COCCCn1/c(=N/C(=O)c2ccc3c(c2)OCO3)c(C#N)cc2c(=O)n3cccc(C)c3nc21 |
665,666 | CCCn1/c(=N/C(=O)c2ccc3c(c2)OCO3)c(C#N)cc2c(=O)n3cccc(C)c3nc21 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.