ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1929498 | Cn1cc(CN2CCOC3(CCCN(c4ncc(F)cn4)C3)C2)cn1 | [C][N][C][=C][Branch2][Ring2][C][C][N][C][C][O][C][Branch2][Ring1][Branch1][C][C][C][N][Branch1][N][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][C][Ring1][=N][C][Ring2][Ring1][C][C][=N][Ring2][Ring1][Branch2] | N15CCOC2(CCCN6C2)C1.c16ncc(F)cn1.Cn1cc7cn1.C57 |
1929499 | O=C(c1ccncc1)N1CCOC2(CCCN(c3nncs3)C2)C1 | [O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][O][C][Branch1][P][C][C][C][N][Branch1][Branch2][C][=N][N][=C][S][Ring1][Branch1][C][Ring1][O][C][Ring1][S] | N14CCOC2(CCCN5C2)C1.c16ccncc1.c15nncs1.O=C46 |
1929500 | Cc1nc(CN2CCCC3(C2)CN(c2ccccc2)CCO3)cs1 | [C][C][=N][C][Branch2][Ring1][=N][C][N][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring1][=N][=C][S][Ring2][Ring1][#Branch1] | N14CCCC2(C1)CN5CCO2.Cc1nc6cs1.c15ccccc1.C46 |
1929501 | O=C(Nc1cccnc1)C1CC12CCN(C(=O)CC1CCCC1)C2 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][Branch1][C][Ring1][=N] | C16CC12CCN4C2.c15cccnc1.C17CCCC1.C4(=O)C7.O=C36.N35 |
1929503 | O=C(NCc1cccnc1)C1CC12CCN(C(=O)c1ccccc1)C2 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N] | C16CC12CCN4C2.c18cccnc1.c17ccccc1.O=C36.C47=O.N35.C58 |
1929506 | O=C(NCc1cccnc1)C1CC12CCN(C(=O)N1CCCC1)C2 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][C][N][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Ring1][N] | C17CC12CCN4C2.c18cccnc1.N15CCCC1.O=C37.C45=O.N36.C68 |
1929507 | Cc1ccc(C(=O)N2CCC3(CC3C(=O)NCc3ccco3)C2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][S][C][=C][Ring2][Ring1][Branch2] | N14CCC2(CC27)C1.Cc1ccc8cc1.c19ccco1.C48=O.C57=O.N56.C69 |
1929508 | O=C(NCc1ccco1)C1CC12CCN(C(=O)c1ccccc1)C2 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][Ring1][Ring1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N] | C16CC12CCN4C2.c17ccccc1.c18ccco1.O=C36.C47=O.N35.C58 |
1929509 | Cc1ccccc1C(=O)N1CCC2(CC2C(=O)NCc2ccco2)C1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][S] | N13CCC2(CC26)C1.Cc1ccccc17.c18ccco1.C37=O.C46=O.N45.C58 |
1929510 | Cc1cccc(C(=O)N2CCC3(CC3C(=O)NCc3ccco3)C2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][S][=C][Ring2][Ring1][Branch2] | N14CCC2(CC27)C1.Cc1cccc8c1.c19ccco1.C48=O.C57=O.N56.C69 |
1929511 | CCC(=O)N1CCC2(CC2C(=O)Nc2cccc(F)c2)C1 | [C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring1][P] | N13CCC2(CC26)C1.c15cccc(F)c1.CCC3=O.C46=O.N45 |
1929512 | CC(C)CC(=O)N1CCC2(CC2C(=O)Nc2cccc(F)c2)C1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring1][P] | N13CCC2(CC26)C1.c15cccc(F)c1.CC(C)CC3=O.C46=O.N45 |
1929513 | CN(C)C(=O)N1CCC2(CC2C(=O)Nc2cccc(F)c2)C1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring1][P] | N14CCC2(CC27)C1.c16cccc(F)c1.CN3C.C34=O.C57=O.N56 |
1929514 | CC(C)NC(=O)N1CCC2(CC2C(=O)Nc2cccc(F)c2)C1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring1][P] | N14CCC2(CC28)C1.c17cccc(F)c1.CC6C.C34=O.C58=O.N36.N57 |
1929516 | O=C(NCc1ccncc1)C1CC12CCN(C(=O)NC1CCCC1)C2 | [O][=C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][C][N][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][Ring1][=N] | C18CC12CCN4C2.c19ccncc1.C17CCCC1.O=C38.C45=O.N36.C69.N57 |
1929517 | CN(C)C(=O)C1CC12CCN(C(=O)c1ccno1)CC2 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][O][Ring1][Branch1][C][C][Ring1][=N] | C16CC12CCN4CC2.c15ccno1.CN3C.C36=O.C45=O |
1929518 | Cc1cnc(C(=O)N2CCC3(CC2)CC(OCC2CC2)C3)cn1 | [C][C][=C][N][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][Ring1][O][C][=N][Ring2][Ring1][=Branch1] | N14CCC2(CC1)CC6C2.Cc1cnc7cn1.C47=O.C18CC1.O56.C58 |
1929519 | CNC(=O)C1CCC2(CCN(C(=O)c3ccno3)CC2)C1 | [C][N][C][=Branch1][C][=O][C][C][C][C][Branch2][Ring1][Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][O][Ring1][Branch1][C][C][Ring1][=N][C][Ring1][P] | C17CCC2(CCN5CC2)C1.c16ccno1.C47=O.C56=O.CN4 |
1929520 | CC(C)NC(=O)C1CCC2(CCN(C(=O)c3ccno3)CC2)C1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][Branch2][Ring1][Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][O][Ring1][Branch1][C][C][Ring1][=N][C][Ring1][P] | C18CCC2(CCN5CC2)C1.c17ccno1.CC6C.C48=O.C57=O.N46 |
1929521 | O=C(C1CCCC1)N1CCC2(CCCN2c2ncccn2)CC1 | [O][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][N][C][C][C][Branch1][#C][C][C][C][N][Ring1][Branch1][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][S] | N13CCC2(CCCN24)CC1.c14ncccn1.C15CCCC1.O=C35 |
1929522 | CC(C)CN1C(=O)CCC12CCN(C(=O)c1ccnnc1)CC2 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][N][=C][Ring1][=Branch1][C][C][Ring1][=C] | N15C(=O)CCC12CCN3CC2.c14ccnnc1.CC(C)C5.C34=O |
1929523 | COCCN1C(=O)CCC12CCN(C(=O)c1ccoc1C)CC2 | [C][O][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][C][Ring1][=C] | N16C(=O)CCC12CCN3CC2.c15ccoc1C.C4C6.C35=O.CO4 |
1929524 | COCCN1C(=O)CCC12CCN(C(=O)NC1CC1)CC2 | [C][O][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][C][N][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][C][Ring1][N] | N17C(=O)CCC12CCN3CC2.C5C7.C34=O.C16CC1.CO5.N46 |
1929525 | COCCN1C(=O)CCC12CCN(c1cccnc1)CC2 | [C][O][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][N] | N15C(=O)CCC12CCN4CC2.c14cccnc1.C3C5.CO3 |
1929526 | COCCN1C(=O)CCC12CCN(C(=O)CC1CC1)CC2 | [C][O][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring1][C][C][Ring1][N] | N15C(=O)CCC12CCN3CC2.C3(=O)C6.C4C5.C16CC1.CO4 |
1929527 | C=CCN1C(=O)CCC12CCN(C(=O)NC1CC1)CC2 | [C][=C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][C][N][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][C][Ring1][N] | N16C(=O)CCC12CCN3CC2.C=CC6.C34=O.C15CC1.N45 |
1929529 | O=C(C1CCCO1)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1 | [O][=C][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][N][C][C][C][Branch2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C] | N13CCC2(CCC(=O)N25)CC1.c16ccncc1.C14CCCO1.O=C34.C56 |
1929530 | O=C(C1CCC1)N1CCCC2(CC(CN3CCOCC3)CO2)C1 | [O][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][N][C][C][C][C][Branch2][Ring1][C][C][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][O][Ring1][N][C][Ring1][P] | N14CCCC2(CC7CO2)C1.N15CCOCC1.C16CCC1.O=C46.C57 |
1929531 | CCN1C(=O)CCC12CCC(NC(=O)c1ccncc1F)CC2 | [C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][F][C][C][Ring1][S] | N16C(=O)CCC12CCC4CC2.c15ccncc1F.C35=O.CC6.N34 |
1929532 | CCN1C(=O)CCC12CCC(NC(=O)c1c(C)noc1C)CC2 | [C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][C][C][Branch1][P][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][C][Ring1][S] | N16C(=O)CCC12CCC4CC2.c15c(C)noc1C.C35=O.CC6.N34 |
1929533 | Cc1noc(C)c1C(=O)NC1CCC2(CCC(=O)N2CC(C)C)CC1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][S][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][Branch1][C][C][C][C][C][Ring1][#C] | C14CCC2(CCC(=O)N26)CC1.Cc1noc(C)c15.C6C(C)C.C35=O.N34 |
1929536 | C=CCN1C(=O)CCC12CCC(NC(=O)c1ccncc1)CC2 | [C][=C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | N16C(=O)CCC12CCC4CC2.c15ccncc1.C=CC6.C35=O.N34 |
1929537 | C=CCN1C(=O)CCC12CCC(NC(=O)c1ccncc1F)CC2 | [C][=C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][F][C][C][Ring1][S] | N16C(=O)CCC12CCC4CC2.c15ccncc1F.C=CC6.C35=O.N34 |
1929538 | C=CCN1C(=O)CCC12CCC(NC(=O)c1c(C)noc1C)CC2 | [C][=C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][C][C][Branch1][P][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][C][Ring1][S] | N16C(=O)CCC12CCC4CC2.c15c(C)noc1C.C=CC6.C35=O.N34 |
1929539 | O=C(NC1CCC2(CCC(=O)N2CC2CC2)CC1)c1ccc[nH]1 | [O][=C][Branch2][Ring1][O][N][C][C][C][C][Branch1][S][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][C][Ring1][Ring1][C][C][Ring1][#C][C][=C][C][=C][NH1][Ring1][Branch1] | C14CCC2(CCC(=O)N26)CC1.c15ccc[nH]1.O=C35.C17CC1.N34.C67 |
1929540 | Cn1cccc1C(=O)N1CCC2(CCN2c2ncccn2)C1 | [C][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][C][N][Ring1][Ring2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][=C] | N13CCC2(CCN24)C1.Cn1cccc15.c14ncccn1.C35=O |
1929541 | Cc1ccc(N2CCCC3(COCCN(c4ncccn4)C3)C2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][#C][N][C][C][C][C][Branch2][Ring1][Ring1][C][O][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][=N][C][Ring2][Ring1][C][N][=N][Ring2][Ring1][Branch2] | N15CCCC2(COCCN6C2)C1.Cc1ccc5nn1.c16ncccn1 |
1929542 | CN(C)C(=O)N1CCCC2(COCCN(c3cccnc3)C2)C1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Ring1][C][O][C][C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=N][C][Ring2][Ring1][C] | N15CCCC2(COCCN6C2)C1.c16cccnc1.CN4C.C45=O |
1929543 | CS(=O)(=O)N1CCCC2(COCCN(c3cccnc3)C2)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Ring1][C][O][C][C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=N][C][Ring2][Ring1][C] | N14CCCC2(COCCN5C2)C1.c15cccnc1.CS4(=O)=O |
1929544 | CCS(=O)(=O)N1CCCC2(COCCN(c3cccnc3)C2)C1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Ring1][C][O][C][C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=N][C][Ring2][Ring1][C] | N14CCCC2(COCCN5C2)C1.c15cccnc1.CCS4(=O)=O |
1929545 | CC(C)NC(=O)N1CCCC2(COCCN(c3cccnc3)C2)C1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Ring1][C][O][C][C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=N][C][Ring2][Ring1][C] | N15CCCC2(COCCN7C2)C1.c17cccnc1.CC6C.C45=O.N46 |
1929546 | C=CCN1CCOCC2(C1)CN(Cc1ccoc1)CCO2 | [C][=C][C][N][C][C][O][C][C][Branch1][Ring2][C][Ring1][#Branch1][C][N][Branch1][=Branch2][C][C][C][=C][O][C][=Ring1][Branch1][C][C][O][Ring1][=N] | N13CCOCC2(C1)CN4CCO2.c15ccoc1.C=CC3.C45 |
1929547 | c1cncc(N2CCOCC3(CN(Cc4ccsc4)CCO3)C2)c1 | [C][=C][N][=C][C][Branch2][Ring1][#C][N][C][C][O][C][C][Branch2][Ring1][C][C][N][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][C][C][O][Ring1][N][C][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2] | N16CCOCC2(CN5CCO2)C1.c1cncc6c1.c17ccsc1.C57 |
1929548 | CS(=O)(=O)N1CCOCC2(CN(Cc3ccoc3)CCO2)C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Branch2][Ring1][C][C][N][Branch1][=Branch2][C][C][C][=C][O][C][=Ring1][Branch1][C][C][O][Ring1][N][C][Ring2][Ring1][C] | N15CCOCC2(CN4CCO2)C1.c16ccoc1.CS5(=O)=O.C46 |
1929549 | CC(=O)N1CCOCC2(CN(Cc3ccoc3)CCO2)C1 | [C][C][=Branch1][C][=O][N][C][C][O][C][C][Branch2][Ring1][C][C][N][Branch1][=Branch2][C][C][C][=C][O][C][=Ring1][Branch1][C][C][O][Ring1][N][C][Ring2][Ring1][C] | N14CCOCC2(C1)CN5CCO2.c16ccoc1.CC4=O.C56 |
1929550 | CC(=O)N1CCOCC2(C1)CN(C(=O)c1cnoc1C)CCO2 | [C][C][=Branch1][C][=O][N][C][C][O][C][C][Branch1][Ring2][C][Ring1][#Branch1][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=N][O][C][=Ring1][Branch1][C][C][C][O][Ring1][#C] | N13CCOCC2(C1)CN4CCO2.c15cnoc1C.CC3=O.C45=O |
1929551 | O=C1CCCC2(CCCN(C(=O)c3csnn3)C2)N1 | [O][=C][C][C][C][C][Branch2][Ring1][Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][S][N][=N][Ring1][Branch1][C][Ring1][=N][N][Ring2][Ring1][C] | O=C1CCCC2(CCCN4C2)N1.c15csnn1.C45=O |
1929552 | O=C1CCCC2(CCCN(C(=O)c3ccc[nH]3)C2)N1 | [O][=C][C][C][C][C][Branch2][Ring1][Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1][C][Ring1][=N][N][Ring2][Ring1][C] | O=C1CCCC2(CCCN4C2)N1.c15ccc[nH]1.C45=O |
1929553 | Cc1cc(C(=O)N2CCCC3(CCCC(=O)N3C)C2)no1 | [C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][Branch1][N][C][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][Ring1][=N][=N][O][Ring2][Ring1][Ring2] | N14CCCC2(CCCC(=O)N2C)C1.Cc1cc5no1.C45=O |
1929554 | CN1C(=O)CCCC12CCCN(C(=O)c1cccn1C)C2 | [C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][Ring1][=C] | CN1C(=O)CCCC12CCCN3C2.c14cccn1C.C34=O |
1929555 | CCN1C(=O)CCCC12CCCN(C(=O)c1cccn1C)C2 | [C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][Ring1][=C] | N15C(=O)CCCC12CCCN3C2.c14cccn1C.C34=O.CC5 |
1929556 | CCN1C(=O)CCCC12CCCN(C(=O)Cc1cccs1)C2 | [C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][=C] | N14C(=O)CCCC12CCCN3C2.c15cccs1.C3(=O)C5.CC4 |
1929558 | C=CCN1C(=O)CCCC12CCCN(C(=O)c1cccn1C)C2 | [C][=C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][Ring1][=C] | N15C(=O)CCCC12CCCN3C2.c14cccn1C.C=CC5.C34=O |
1929559 | C=CCN1C(=O)CCCC12CCCN(C(=O)c1csnn1)C2 | [C][=C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][S][N][=N][Ring1][Branch1][C][Ring1][=N] | N15C(=O)CCCC12CCCN3C2.c14csnn1.C=CC5.C34=O |
1929560 | CN1CCN(C)C2(CCN(Cc3cccs3)CC2)C1=O | [C][N][C][C][N][Branch1][C][C][C][Branch2][Ring1][C][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][N][C][Ring2][Ring1][C][=O] | CN1CCN(C)C2(CCN4CC2)C1=O.c15cccs1.C45 |
1929561 | CC(C)N1CCN(C)C2(CCN(Cc3cccs3)CC2)C1=O | [C][C][Branch1][C][C][N][C][C][N][Branch1][C][C][C][Branch2][Ring1][C][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][N][C][Ring2][Ring1][C][=O] | N15CCN(C)C2(CCN4CC2)C1=O.c16cccs1.CC5C.C46 |
1929562 | C=CCN1CCN(C)C2(CCN(Cc3cccs3)CC2)C1=O | [C][=C][C][N][C][C][N][Branch1][C][C][C][Branch2][Ring1][C][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][N][C][Ring2][Ring1][C][=O] | N15CCN(C)C2(CCN4CC2)C1=O.c16cccs1.C=CC5.C46 |
1929563 | CN1CCN(CCO)C(=O)C12CCN(Cc1cccs1)CC2 | [C][N][C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][Ring1][#Branch2][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][N] | CN1CCN4C(=O)C12CCN3CC2.c15cccs1.C4CO.C35 |
1929564 | Cc1ccc(CN2CCC3(CC2)C(=O)N(CCO)CCN3C)s1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][N][Ring1][N][C][S][Ring2][Ring1][=Branch1] | N14CCC2(CC1)C(=O)N5CCN2C.Cc1ccc6s1.C5CO.C46 |
1929565 | CC(C)CN1CCNC(=O)C12CCN(Cc1cccs1)CC2 | [C][C][Branch1][C][C][C][N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][N] | N13CCNC(=O)C12CCN4CC2.c15cccs1.CC(C)C3.C45 |
1929566 | CCOC(=O)CN1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | N15CCC2(CC1)C(=O)NCCN26.c17ccccc1.C3(=O)C5.CC4.O34.C67 |
1929567 | CN1CC(=O)N(c2cccc(F)c2)CC12CCN(C(=O)CC1CC1)C2 | [C][N][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][=C][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring1][C][Ring1][O] | CN1CC(=O)N5CC12CCN3C2.c15cccc(F)c1.C3(=O)C4.C14CC1 |
1929568 | O=C(Cc1ccc2c(c1)OCC2)NCc1nc2ccccc2[nH]1 | [O][=C][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][Ring1][=Branch1][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c16ccc2c(c1)OCC2.c15nc2ccccc2[nH]1.O=C3C6.N34.C45 |
1929569 | O=C(Nc1ccc2cc[nH]c2c1)c1n[nH]c2c1CCCCC2 | [O][=C][Branch1][#C][N][C][=C][C][=C][C][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=N][NH1][C][=C][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1] | c15n[nH]c2c1CCCCC2.c14ccc2cc[nH]c2c1.O=C35.N34 |
1929570 | Cc1nnc(NC(=O)c2n[nH]c3c2COc2ccccc2-3)s1 | [C][C][=N][N][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][S][Ring2][Ring1][Branch1] | c16n[nH]c2c1COc1ccccc1-2.Cc1nnc5s1.C46=O.N45 |
1929571 | O=C(NCCc1nc2ccccc2[nH]1)c1cc(-c2ccncc2)n[nH]1 | [O][=C][Branch1][P][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][NH1][Ring1][O] | c16nc2ccccc2[nH]1.c15cc7n[nH]1.c17ccncc1.O=C35.C4C6.N34 |
1929572 | Cn1nc(-c2cccs2)cc1C(=O)Nc1ccc(C(N)=O)cc1 | [C][N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2] | Cn1nc7cc15.c14ccc6cc1.c17cccs1.C35=O.C6(N)=O.N34 |
1929573 | COc1ccc(N2CCCC(C(=O)NCc3ccncc3)C2)nn1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][S][N][=N][Ring2][Ring1][=Branch1] | c15ccc7nn1.N17CCCC8C1.c19ccncc1.C48=O.CO5.N46.C69 |
1929574 | CC(C)CNC(=O)CN1C(=O)c2ccccc2Sc2ncccc21 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=N][C][=C][C][=C][Ring1][=Branch1][Ring1][S] | C3(=O)CN1C(=O)c2ccccc2Sc2ncccc21.CC(C)C4.N34 |
1929575 | COCCn1nnc2ccc(NC(=O)c3cccnc3)cc2c1=O | [C][O][C][C][N][N][=N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][#C][C][Ring2][Ring1][Ring1][=O] | n18nnc2ccc6cc2c1=O.c17cccnc1.C5C8.C47=O.CO5.N46 |
1929576 | O=C(CN1C(=O)c2ccccc2Sc2ncccc21)NCCO | [O][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=N][C][=C][C][=C][Ring1][=Branch1][Ring1][S][N][C][C][O] | O=C3CN1C(=O)c2ccccc2Sc2ncccc21.C4CO.N34 |
1929577 | CC(=O)Nc1ccc2c(c1)C(=O)N(C)c1cccnc1S2 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][=C] | c14ccc2c(c1)C(=O)N(C)c1cccnc1S2.CC3=O.N34 |
1929579 | CC(C)n1nnc(-c2ccc(C(=O)NCCc3ccccc3)cc2)n1 | [C][C][Branch1][C][C][N][N][=N][C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][=N][Ring2][Ring1][=Branch1] | c19ccc6cc1.n17nnc9n1.c18ccccc1.CC7C.C46=O.C5C8.N45 |
1929580 | COCCNC(=O)CN1C(=O)c2ccccc2Sc2ncccc21 | [C][O][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=N][C][=C][C][=C][Ring1][=Branch1][Ring1][S] | C3(=O)CN1C(=O)c2ccccc2Sc2ncccc21.C4C5.CO4.N35 |
1929581 | Cn1cnc2ccc(NC(=O)c3nn(C)c4ccccc34)cc2c1=O | [C][N][C][=N][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][C][Ring2][Ring1][#Branch1][=O] | Cn1cnc2ccc6cc2c1=O.c17nn(C)c2ccccc12.C57=O.N56 |
1929582 | O=C(Nc1nc[nH]n1)c1cn(-c2ccccc2)c(=O)c2ccccc12 | [O][=C][Branch1][=Branch2][N][C][N][=C][NH1][N][=Ring1][Branch1][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1] | c15cn6c(=O)c2ccccc12.c16ccccc1.c14nc[nH]n1.O=C35.N34 |
1929583 | COCCn1nnc2ccc(NC(=O)C3CCCCC3)cc2c1=O | [C][O][C][C][N][N][=N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C][Ring2][Ring1][Ring1][=O] | n18nnc2ccc6cc2c1=O.C17CCCCC1.C5C8.C47=O.CO5.N46 |
1929584 | CC(C)c1nnc(NC(=O)c2n[nH]c3c2COc2ccccc2-3)s1 | [C][C][Branch1][C][C][C][=N][N][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][S][Ring2][Ring1][Branch1] | c16n[nH]c2c1COc1ccccc1-2.c17nnc5s1.CC7C.C46=O.N45 |
1929585 | O=C(CCc1nnc2ccccn2c1=O)NCCc1ccc(O)cc1 | [O][=C][Branch2][Ring1][C][C][C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c15nnc2ccccn2c1=O.c16ccc(O)cc1.O=C3CC5.C4C6.N34 |
1929586 | COCCn1nnc2ccc(NC(=O)c3ccco3)cc2c1=O | [C][O][C][C][N][N][=N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C][C][Ring2][Ring1][C][=O] | n18nnc2ccc6cc2c1=O.c17ccco1.C5C8.C47=O.CO5.N46 |
1929587 | Cc1nn(C)c(C)c1Cc1nn2c(-c3ccco3)nnc2s1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=N][N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][=C][Ring1][#Branch2][S][Ring1][=N] | c14nn2c6nnc2s1.Cc1nn(C)c(C)c15.c16ccco1.C45 |
1929588 | Cc1nc(C(C)C)c(C(=O)Nc2ccc3[nH]ccc3c2)s1 | [C][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][S][Ring2][Ring1][Ring2] | c15ccc2[nH]ccc2c1.Cc1nc7c6s1.C7(C)C.C46=O.N45 |
1929589 | CC(C)n1nnc2ccc(NC(=O)c3cccnc3)cc2c1=O | [C][C][Branch1][C][C][N][N][=N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][#C][C][Ring2][Ring1][Ring1][=O] | n17nnc2ccc5cc2c1=O.c16cccnc1.CC7C.C46=O.N45 |
1929590 | O=C(Nc1nncs1)c1n[nH]c2c1COc1ccccc1-2 | [O][=C][Branch1][=Branch2][N][C][=N][N][=C][S][Ring1][Branch1][C][=N][NH1][C][=C][Ring1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | c15n[nH]c2c1COc1ccccc1-2.c14nncs1.O=C35.N34 |
1929591 | O=C(Nc1cccnc1SCc1ccccn1)C1CCCO1 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C][C][O][Ring1][Branch1] | c14cccnc17.c16ccccn1.C15CCCO1.O=C25.N24.S37.C36 |
1929592 | CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)c1cccnc1S2 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][=C] | c14ccc2c(c1)C(=O)N(C)c1cccnc1S2.CC(C)C3=O.N34 |
1929593 | Cn1nnc(-c2ccc(OCC(=O)NC3CCCCCC3)cc2)n1 | [C][N][N][=N][C][Branch2][Ring1][N][C][=C][C][=C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][=N][Ring2][Ring1][#Branch1] | c18ccc6cc1.C17CCCCCC1.Cn1nnc8n1.C5C4=O.O56.N47 |
1929594 | COC(=O)CC1CCN(C(=O)CCCc2nnc3ccccn23)CC1 | [C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2] | c16nnc2ccccn12.C17CCN5CC1.C5(=O)CCC6.C4(=O)C7.CO4 |
1929595 | CC(C)n1nnc(-c2ccc(C(=O)NCC3CCCO3)cc2)n1 | [C][C][Branch1][C][C][N][N][=N][C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][#C][=N][Ring2][Ring1][Ring2] | c19ccc6cc1.n17nnc9n1.C18CCCO1.CC7C.C46=O.N45.C58 |
1929596 | O=C(NCc1ccncc1)c1n[nH]c2c1CCCCC2 | [O][=C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=N][NH1][C][=C][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1] | c15n[nH]c2c1CCCCC2.c16ccncc1.O=C35.N34.C46 |
1929597 | O=C(CN1C(=O)c2ccccc2Sc2ncccc21)NCCCO | [O][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=N][C][=C][C][=C][Ring1][=Branch1][Ring1][S][N][C][C][C][O] | O=C3CN1C(=O)c2ccccc2Sc2ncccc21.C4CCO.N34 |
1929598 | CC(C)Cn1nnc2ccc(NC(=O)c3ccco3)cc2c1=O | [C][C][Branch1][C][C][C][N][N][=N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C][C][Ring2][Ring1][C][=O] | n17nnc2ccc5cc2c1=O.c16ccco1.CC(C)C7.C46=O.N45 |
1929599 | CCOC(=O)C1=C(N)N(c2ccc(C)c(C)c2)C(=O)C1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][N][Branch1][#C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][Ring1][#C] | C3(=O)C1=C(N)N5C(=O)C1.c15ccc(C)c(C)c1.CC4.O34 |
1929600 | O=C(NC1CC1)C1COC(=O)N1Cc1ccncc1 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | C14COC(=O)N15.c16ccncc1.O=C24.C13CC1.N23.C56 |
1929601 | NC(=O)c1ccc2c(c1)C(O)c1ccccc1CS2 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][Ring1][=N] | c13ccc2c(c1)C(O)c1ccccc1CS2.NC3=O |
1929603 | O=C(NCCc1ccccc1)C1COC(=O)N1Cc1ccc(F)cc1 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C14COC(=O)N15.c17ccc(F)cc1.c16ccccc1.O=C24.C3C6.N23.C57 |
1929604 | O=C(NCCc1ccccc1)C1COC(=O)N1Cc1ccc(O)cc1 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | C14COC(=O)N15.c17ccc(O)cc1.c16ccccc1.O=C24.C3C6.N23.C57 |
1929605 | c1cc2c(cc1Cn1cc(CN3CCOCC3)nn1)OCO2 | [C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][Ring1][=Branch1][C][N][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][=N][Ring1][N][O][C][O][Ring2][Ring1][Ring2] | c1cc2c(cc17)OCO2.n15cc6nn1.N14CCOCC1.C57.C46 |
1929606 | Cc1cc(C)c(C#N)c(OCC(=O)N2CCCCC2)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | Cc1cc(C)c(C#N)c5n1.N13CCCCC1.C4C3=O.O45 |
1929607 | O=C(NCCn1cccn1)C1COC(=O)N1CC1CCOC1 | [O][=C][Branch1][O][N][C][C][N][C][=C][C][=N][Ring1][Branch1][C][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][C][O][C][Ring1][Branch1] | C14COC(=O)N16.n15cccn1.C17CCOC1.O=C24.C3C5.N23.C67 |
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