CID int64 199 136M | smiles stringlengths 8 226 |
|---|---|
650,881 | Cc1ccc2nc(NC(=O)c3ccc(Cn4cc(Cl)cn4)o3)sc2c1 |
650,889 | CCCCN(C(=O)c1ccco1)c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1 |
650,893 | COCCN(CC(=O)NCc1ccccc1)C(=O)CCC(=O)Nc1ccccn1 |
650,906 | CCCC(c1nnnn1C(C)(C)CC)N(Cc1ccco1)Cc1cc2ccc(OC)cc2[nH]c1=O |
650,914 | O=C(CN1CCOCC1)Nc1c2c(nc3ccccc13)N(Cc1ccccc1)CC2.O=C(O)C(=O)O |
650,942 | Cc1c(CN2CCCCC2)c(O)n(CCCO)c(=O)c1C#N |
650,957 | CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(CCc3ccccc3)C2C1 |
650,976 | CCOC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OC)C(C)C2)C1c1ccc(OC)c(O)c1 |
650,988 | CCc1nnc(NC(=O)CSc2nnc(-c3ccoc3C)n2-c2cccc(C)c2)s1 |
650,998 | CC(=O)N(CCc1ccccc1C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 |
651,005 | COCCn1nnnc1CN(Cc1cccnc1)Cc1cc2cc(OC)ccc2[nH]c1=O |
651,023 | Fc1cccc(-c2cc3nc4c(c(N5CCOCC5)n3n2)CCCC4)c1 |
651,025 | CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cc(OC)ccc3OC)C2C1 |
651,065 | CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3ccc(Br)cc3)cc2c1 |
651,075 | COc1ccccc1NC(=O)c1cc(Cl)ccc1NC(=O)c1ccco1 |
651,078 | CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3OC)Cc3nnnn3Cc3ccco3)cc2c1 |
651,082 | Nc1cccc(-c2nc3ccc(N)cc3s2)c1 |
651,086 | COc1ccc(-c2cc(C(F)F)nc(-n3nc(C)cc3C)n2)cc1 |
651,108 | CSc1nnc(-c2cc3ccccc3cc2O)n1C |
651,126 | CCCC1C2CN(C(C)=O)CC=C2C(C#N)=C(N)C1(C#N)C#N |
651,127 | COc1cc2cc(C(c3nnnn3C3CCCC3)N3CCCCC3)c(=O)[nH]c2cc1OC |
651,134 | CC1(C(=O)N(CC(=O)NC2CCCC2)C2CCCC2)CC(=O)N=C2C=CC=CN21 |
651,141 | CCOC(=O)C1CCN(c2nc3cc(OC)ccc3cc2C#N)CC1 |
651,173 | COc1ccc2nc(NC3=NCN(CC4CCCO4)CN3)nc(C)c2c1 |
651,177 | CCOC(=O)CSc1nc2cc(OC)ccc2cc1C#N |
651,194 | O=C(NCc1ccccc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)CC1CCCO1 |
651,201 | CCOc1ccc2[nH]c(=O)c(CN(Cc3cccs3)Cc3nnnn3C(C)(C)CC)cc2c1 |
651,215 | COc1ccc(NC(=O)N(CCN2CCCC2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1 |
651,216 | O=c1[nH]c2cc3c(cc2cc1CN(Cc1cccs1)Cc1nnnn1Cc1ccco1)OCCO3 |
651,228 | Cc1ccc(-c2cc(C(=O)O)n[nH]2)o1 |
651,234 | CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)N3CCCC3)cc2c1 |
651,236 | CCC(C)(C)n1nnnc1C(c1cc2ccc(OC)cc2[nH]c1=O)N1CCc2ccccc2C1 |
651,240 | COC(=O)c1ccc(-c2nc3ccc(C)cc3o2)cc1 |
651,250 | Cc1cc2n(n1)C(c1cn(-c3ccccc3)nc1C)Nc1ccccc1-2 |
651,263 | CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(Cc3ccccc3)C2C1 |
651,264 | Cc1ccc2cc(C#N)c(N3CCCN(S(=O)(=O)c4ccccc4)CC3)nc2c1 |
651,268 | COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCC4CCCO4)c3n2)cc1 |
651,270 | CC(=O)C1=C(O)C(=O)N(c2cc(C(C)(C)C)on2)C1c1ccc(Br)cc1 |
651,283 | COc1ccc2nc(N3CCC(C)CC3)c(C#N)cc2c1 |
651,309 | Cc1ccc2cc(C#N)c(SCC(=O)NCC3CCCO3)nc2c1 |
651,319 | N#Cc1c(NCCO)nc(NCc2ccccc2)c2c1CCN(Cc1ccccc1)C2 |
651,327 | COc1ccc2[nH]c(=O)c(CN(C(=O)NC3CCCCC3)C3CCCC3)cc2c1 |
651,335 | O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1CC1CCCO1)C1CCCC1)OCO3 |
651,358 | COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN5CCCC5C4)c3n2)cc1 |
651,382 | Cc1ccccc1Cn1nc(C)c(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)c1C |
651,387 | Cn1c(SCC(=O)N2CCc3ccccc32)nnc1C1CC1 |
651,389 | Cc1ccc2nc(-c3ccc(SCC(=O)Nc4cc(C)on4)nc3)[nH]c2c1 |
651,412 | Cc1cc(C)nc(N2CCCC(C(=O)NCCc3cccc(F)c3)C2)n1 |
651,422 | CCCN1CCCc2cc(CN)ccc21.O=C(O)C(=O)O |
651,435 | COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1 |
651,442 | Cc1ccc2cc(C#N)c(SCC(=O)NCc3ccco3)nc2c1 |
651,450 | COc1ccc(NC(=O)C[S+]([O-])CC(=O)NC2CCCc3ccccc32)cc1 |
651,452 | CCn1c(=N)c(C(=O)NCc2cccnc2)cc2c(=O)n3cccc(C)c3nc21 |
651,453 | O=C(NCc1ccc(F)cc1)C1CCN(C(=O)NCc2ccccc2)CC1 |
651,457 | COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)CCC(=O)Nc1cc(C)cc(C)c1 |
651,465 | Cc1ccc(C)c2[nH]c(=O)c(CN(CCCN(C)C)C(=O)NCc3ccccc3)cc12 |
651,469 | COc1cc2cc(CN(C(=O)Nc3ccccc3)C3CCCC3)c(=O)[nH]c2cc1OC |
651,480 | COc1ccc(CNC(=O)C(C)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1 |
651,486 | CCOc1ccccc1-c1nc(-c2cc3ccc(C)cc3[nH]c2=O)no1 |
651,489 | COC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cccc(C)n1 |
651,494 | Nc1c(C(=O)NC2CCCCC2)nsc1C(=O)OCC(=O)NC1CCCCC1 |
651,495 | OC1CCN(c2c3c(nc4cc(-c5cccc(F)c5)nn24)CCCC3)CC1 |
651,515 | COc1ccc(OC)c(NC(=O)C2C3C=CC(C3)C2C(=O)NCc2ccccn2)c1 |
651,529 | C=CCn1c(=N)c(C(=O)OC)cc2c(=O)n3cccc(C)c3nc21 |
651,554 | CCCCC(C(=O)NCCC(C)C)N(CCCN1CCOCC1)C(=O)c1snc(C(N)=O)c1N |
651,562 | CC(=O)c1cccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)CC2CCCO2)c1 |
651,572 | COc1ccc2[nH]c(=O)c(CN(CCN3CCCC3)C(=O)Nc3ccccc3Cl)cc2c1 |
651,574 | Cc1cc(C)c2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N3CCOCC3)cc2c1 |
651,577 | Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3cccnn23)c1 |
651,580 | CCCNc1ncccc1C(N)=O |
651,585 | COC(=O)CSc1nc2cc3c(cc2cc1C#N)OCO3 |
651,586 | Nc1c(C(=O)c2ccccc2)oc2ccc(Br)cc12 |
651,594 | COc1cc(-c2nnc(-c3ccc(S(=O)(=O)c4ccccc4)cc3)o2)cc(OC)c1OC |
651,595 | COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3cccs3)n2)cc1 |
651,596 | CC(=O)Nc1nc2n(n1)C(c1ccc(Cl)cc1)C=C(C)N2 |
651,604 | O=c1oc2ccccc2cc1-c1nnc(-c2cccc(Br)c2)o1 |
651,613 | CCN(CC)CCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)Nc1ccccc1 |
651,615 | CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)c1=N |
651,620 | COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)C(C(=O)NC1CCCC1)c1ccco1 |
651,628 | O=C(Nc1ncnc2sc3c(c12)CCCCC3)c1ccco1 |
651,638 | CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1 |
651,645 | CCOc1ccc2nc(-c3ccc(OC)c(OC)c3)cc(C(=O)O)c2c1 |
651,646 | O=C(CN(CC1CCCO1)C(=O)CCC(=O)Nc1ccccn1)NCC1CCCO1 |
651,650 | CCn1c(SCC(=O)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)nc2ccccc2c1=O |
651,689 | O=C(Nc1ccc(F)cc1)N(CCCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 |
651,702 | CCC(OC(=O)CCc1nc2ccccc2[nH]c1=O)C(=O)c1ccccc1 |
651,721 | O=C(O)c1cccc(N2CCCC2)c1 |
651,727 | O=C(NCCc1ccccc1)C1CCCN1C(=O)Nc1ccc(F)cc1 |
651,744 | CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)N3CCCC3)cc2c1 |
651,754 | CCOCc1nnc(NS(C)(=O)=O)s1 |
651,756 | COc1ccc2[nH]c(=O)c(-c3noc(-c4ccc(F)cc4)n3)cc2c1 |
651,757 | CCC(C)(C)n1nnnc1C(c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCCC1 |
651,766 | CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cccs1 |
651,767 | Cc1nc2ccc(N)cc2c(=O)n1Cc1ccc(Cl)cc1 |
651,794 | CCOCCCNC(=O)CN1CCN(c2ccc(F)cc2)CC1.O=C(O)C(=O)O |
651,807 | Cc1c(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)oc2ccccc12 |
651,808 | CCOC(=O)c1cc2sc(C)cc2n1CC(=O)N1CCc2ccccc21 |
651,809 | CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(C)o2)C2=C(CCCC2=O)N1 |
651,810 | COc1cccc(C(C(=O)NCc2ccco2)N(C(=O)Cn2nnc3ccccc32)C2CC2)c1OC |
651,812 | CN1C(=O)c2cccc(NCCCN3C(=O)c4ccccc4C3=O)c2C1=O |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.