ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1926690 | COCC(=O)N1CC2OCCN(Cc3c(C)noc3C)C2C1 | [C][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][N][Branch1][=N][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][Ring1][=C][C][Ring1][P] | N14CC2OCCN6C2C1.c17c(C)noc1C.C5C4=O.CO5.C67 |
1926691 | Cc1noc(C)c1CN1CCOC2CN(C(=O)N(C)C)CC21 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][C][O][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][#Branch2][Ring1][=C] | N15CCOC2CN3CC21.Cc1noc(C)c16.C34=O.N4(C)C.C56 |
1926692 | Cc1ccc(N2CCOC3CN(Cc4ccoc4)CC32)nn1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][O][C][C][N][Branch1][=Branch2][C][C][C][=C][O][C][=Ring1][Branch1][C][C][Ring1][O][Ring1][#C][N][=N][Ring2][Ring1][Branch1] | N16CCOC2CN5CC21.Cc1ccc6nn1.c17ccoc1.C57 |
1926693 | Cc1ccc(N2CCOC3CN(C(=O)c4ccco4)CC32)nn1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][C][O][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][N][Ring1][S][N][=N][Ring2][Ring1][=Branch1] | N16CCOC2CN5CC21.Cc1ccc6nn1.c17ccco1.C57=O |
1926694 | c1cnc(N2CCOC3CN(Cc4cccs4)CC32)nc1 | [C][=C][N][=C][Branch2][Ring1][Branch2][N][C][C][O][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][O][Ring1][#C][N][=C][Ring2][Ring1][Branch1] | N16CCOC2CN5CC21.c1cnc6nc1.c17cccs1.C57 |
1926695 | Cc1ccc(CN2CC3OCCN(c4ncccn4)C3C2)s1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][C][O][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N][C][Ring1][#C][S][Ring2][Ring1][Branch1] | N15CC2OCCN6C2C1.Cc1ccc7s1.c16ncccn1.C57 |
1926696 | O=C(c1cnccn1)N1CC2OCCN(c3ncccn3)C2C1 | [O][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][C][C][O][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N][C][Ring1][#C] | N14CC2OCCN5C2C1.c16cnccn1.c15ncccn1.O=C46 |
1926697 | O=S(=O)(C1CC1)N1CC2CCC(F)(F)C2C1 | [O][=S][=Branch1][C][=O][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][C][Ring1][#Branch2] | N13CC2CCC(F)(F)C2C1.O=S3(=O)C1CC1 |
1926698 | O=S(=O)(C1CC1)N1CC2CC(F)(F)CC2C1 | [O][=S][=Branch1][C][=O][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][#Branch1][C][Ring1][#Branch2] | N13CC2CC(F)(F)CC2C1.O=S3(=O)C1CC1 |
1926699 | c1csc(CN2CCN3CC(OCC4CC4)CC3C2)n1 | [C][=C][S][C][Branch2][Ring1][Branch2][C][N][C][C][N][C][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][C][Ring1][#Branch2][C][Ring1][=C][=N][Ring2][Ring1][Ring2] | N17CCN2CC6CC2C1.c1csc8n1.C19CC1.C78.O56.C59 |
1926700 | c1cncc(COC2CC3CN(Cc4ccncc4)CCN3C2)c1 | [C][=C][N][=C][C][Branch2][Ring1][O][C][O][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][N][Ring1][=N][C][Ring1][S][=C][Ring2][Ring1][Branch2] | C16CC2CN7CCN2C1.c1cncc8c1.c19ccncc1.C58.O56.C79 |
1926702 | c1cncc(CN2CCOC3CN(Cc4cccnc4)CCC3C2)c1 | [C][=C][N][=C][C][Branch2][Ring1][=N][C][N][C][C][O][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][=N][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch2] | N15CCOC2CN6CCC2C1.c1cncc7c1.c18cccnc1.C57.C68 |
1926703 | C=CCOCC1CCC2C1OCCN2Cc1cnn(C)c1 | [C][=C][C][O][C][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | C16CCC2C1OCCN25.c17cnn(C)c1.C=CC3.O34.C46.C57 |
1926704 | C=CCOCC1CCC2C1OCCN2Cc1ccc(F)cc1 | [C][=C][C][O][C][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C16CCC2C1OCCN25.c17ccc(F)cc1.C=CC3.O34.C46.C57 |
1926705 | c1cncc(COCC2CCC3C2OCCN3CC2CC2)c1 | [C][=C][N][=C][C][Branch2][Ring1][#Branch1][C][O][C][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][=Branch1] | C17CCC2C1OCCN26.c1cncc9c1.C18CC1.C49.O45.C57.C68 |
1926708 | c1csc(CN2CCOC3C(Cn4cnnc4)CCC32)c1 | [C][=C][S][C][Branch2][Ring1][=Branch2][C][N][C][C][O][C][C][Branch1][=Branch2][C][N][C][=N][N][=C][Ring1][Branch1][C][C][C][Ring1][O][Ring1][#C][=C][Ring2][Ring1][Branch1] | N15CCOC2C8CCC21.c1csc7c1.n16cnnc1.C57.C68 |
1926709 | Fc1ccc(CN2CCOC3C(Cn4cnnc4)CCC32)cc1 | [F][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][C][O][C][C][Branch1][=Branch2][C][N][C][=N][N][=C][Ring1][Branch1][C][C][C][Ring1][O][Ring1][#C][C][=C][Ring2][Ring1][=Branch1] | N15CCOC2C7CCC21.Fc1ccc8cc1.n16cnnc1.C58.C67 |
1926710 | CN(C)C(=O)COCC1CC2OCCN(Cc3cnn(C)c3)C2C1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][C][C][C][O][C][C][N][Branch1][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Ring1][=N][C][Ring1][S] | C18CC2OCCN7C2C1.c19cnn(C)c1.C4(=O)C5.CN4C.O56.C68.C79 |
1926711 | Fc1ccc(CN2CCOC3CC(COc4ccccn4)CC32)cc1 | [F][C][=C][C][=C][Branch2][Ring1][O][C][N][C][C][O][C][C][C][Branch1][O][C][O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N][Ring1][P][C][=C][Ring2][Ring1][Branch2] | N17CCOC2CC8CC21.Fc1ccc9cc1.c16ccccn1.C79.C58.O56 |
1926712 | O=C(c1ccoc1)N1CCOC2CC(COc3ccccn3)CC21 | [O][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][N][C][C][O][C][C][C][Branch1][O][C][O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N][Ring1][P] | N14CCOC2CC8CC21.c16ccccn1.c17ccoc1.O=C47.C58.O56 |
1926713 | O=C(c1ccccn1)N1CCOC2CC(COc3ccccn3)CC21 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][C][O][C][C][C][Branch1][O][C][O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N][Ring1][P] | N14CCOC2CC8CC21.c17ccccn1.c16ccccn1.O=C47.C58.O56 |
1926714 | O=C1CC2C(CCN2Cc2nccs2)N1Cc1ccncc1 | [O][=C][C][C][C][Branch1][=C][C][C][N][Ring1][Branch1][C][C][=N][C][=C][S][Ring1][Branch1][N][Ring1][=C][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | O=C1CC2C(CCN23)N14.c16ccncc1.c15nccs1.C35.C46 |
1926715 | O=C(c1cnccn1)N1CCC2C1CC(=O)N2c1cccnc1 | [O][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | N13CCC2C1CC(=O)N25.c14cnccn1.c15cccnc1.O=C34 |
1926716 | Cn1cc(N2C(=O)CC3C2CCN3C(=O)c2cccnc2)cn1 | [C][N][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][=Branch1] | N16C(=O)CC2C1CCN24.Cn1cc6cn1.c15cccnc1.C45=O |
1926717 | O=S(=O)(C1CC1)N1CCC2C1CCN2Cc1nccs1 | [O][=S][=Branch1][C][=O][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][C][C][C][Ring1][Branch1][C][C][N][Ring1][Branch1][C][C][=N][C][=C][S][Ring1][Branch1] | N14CCC2C1CCN23.O=S4(=O)C1CC1.c15nccs1.C35 |
1926718 | c1cnc(N2CCC3C2CCN3c2nncs2)nc1 | [C][=C][N][=C][Branch2][Ring1][Ring2][N][C][C][C][C][Ring1][Branch1][C][C][N][Ring1][Branch1][C][=N][N][=C][S][Ring1][Branch1][N][=C][Ring2][Ring1][Ring1] | N14CCC2C1CCN25.c1cnc4nc1.c15nncs1 |
1926719 | Cc1nc(COC2CN(Cc3ccco3)C3COCC23)cs1 | [C][C][=N][C][Branch2][Ring1][=Branch2][C][O][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][O][C][C][Ring1][=C][Ring1][Branch1][=C][S][Ring2][Ring1][Branch1] | C15CN6C2COCC12.Cc1nc7cs1.c18ccco1.C47.O45.C68 |
1926720 | Cc1ccc(CN2CC(OCc3csc(C)n3)C3COCC32)o1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][N][C][C][Branch1][=N][O][C][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][C][C][O][C][C][Ring1][Branch1][Ring1][S][O][Ring2][Ring1][=Branch1] | N16CC5C2COCC21.Cc1ccc7o1.c18csc(C)n1.C67.O45.C48 |
1926721 | O=C(NCC1OCC2CCN(S(=O)(=O)C3CC3)CC21)C1CC1 | [O][=C][Branch2][Ring1][=C][N][C][C][O][C][C][C][C][N][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][N][Ring1][#C][C][C][C][Ring1][Ring1] | C18OCC2CCN6CC21.S6(=O)(=O)C1CC1.O=C47.C17CC1.N45.C58 |
1926722 | C1COC2C(N3CCOCC3)CN(CC3CCOCC3)C2C1 | [C][C][O][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][N][Branch1][#Branch2][C][C][C][C][O][C][C][Ring1][=Branch1][C][Ring2][Ring1][C][C][Ring2][Ring1][=Branch1] | C1COC2C5CN4C2C1.N15CCOCC1.C16CCOCC1.C46 |
1926723 | Cn1cccc1C(=O)NC1CN(Cc2ccccn2)C2CCCOC12 | [C][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C][C][O][C][Ring1][S][Ring1][=Branch1] | C15CN4C2CCCOC12.Cn1cccc16.c17ccccn1.C36=O.N35.C47 |
1926724 | Cn1ccnc1C(=O)NC1CN(Cc2cccnc2)C2CCCOC12 | [C][N][C][=C][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][C][O][C][Ring1][S][Ring1][=Branch1] | C15CN4C2CCCOC12.Cn1ccnc16.c17cccnc1.C36=O.N35.C47 |
1926725 | O=C1CCC2C(CCN2C(=O)c2ccsc2)N1 | [O][=C][C][C][C][C][Branch1][P][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][N][Ring1][S] | O=C1CCC2C(CCN23)N1.c14ccsc1.C34=O |
1926726 | COCCN1C(=O)CCC2C1CCN2C(=O)COC | [C][O][C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][O][C] | N16C(=O)CCC2C1CCN23.C3(=O)C5.C4C6.CO4.O5C |
1926727 | CCS(=O)(=O)N1CCC2C1CCC(=O)N2CCOC | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][O][C] | N14CCC2C1CCC(=O)N25.CCS4(=O)=O.C5C3.O3C |
1926728 | COCCN1C(=O)CCC2C1CCN2C(=O)N(C)C | [C][O][C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C] | N16C(=O)CCC2C1CCN23.C5C6.C34=O.N4(C)C.CO5 |
1926729 | C=CCN1C(=O)CCC2C1CCN2C(=O)c1ccsc1 | [C][=C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1] | N15C(=O)CCC2C1CCN23.c14ccsc1.C=CC5.C34=O |
1926730 | C=CCN1C(=O)CCC2C1CCN2C(=O)COC | [C][=C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][O][C] | N15C(=O)CCC2C1CCN23.C3(=O)C4.C=CC5.O4C |
1926731 | C=CCN1C(=O)CCC2C1CCN2S(=O)(=O)CC | [C][=C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C] | N14C(=O)CCC2C1CCN23.S3(=O)(=O)CC.C=CC4 |
1926732 | C=CCN1C(=O)CCC2C1CCN2S(=O)(=O)C1CC1 | [C][=C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1] | N14C(=O)CCC2C1CCN23.S3(=O)(=O)C1CC1.C=CC4 |
1926733 | C=CCN1C(=O)CCC2C1CCN2C(=O)N(C)C | [C][=C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C] | N15C(=O)CCC2C1CCN23.C=CC5.C34=O.N4(C)C |
1926734 | O=C1CCC2C(CCN2C(=O)c2ccncc2)N1CC1CC1 | [O][=C][C][C][C][C][Branch2][Ring1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][P][C][C][C][C][Ring1][Ring1] | O=C1CCC2C(CCN23)N15.c14ccncc1.C34=O.C16CC1.C56 |
1926736 | CC(C)NC(=O)C1CC2OCCN(Cc3cnn(C)c3)C2C1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][O][C][C][N][Branch1][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Ring1][=N][C][Ring1][S] | C17CC2OCCN6C2C1.c18cnn(C)c1.CC5C.C47=O.N45.C68 |
1926737 | CC(C)NC(=O)C1CC2OCCN(Cc3ccc(F)cc3)C2C1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][O][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=C][C][Ring1][P] | C17CC2OCCN6C2C1.c18ccc(F)cc1.CC5C.C47=O.N45.C68 |
1926738 | COc1ccc(CN2CCOC3CC(C(=O)NC(C)C)CC32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][N][C][C][O][C][C][C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][Ring1][O][Ring1][#C][C][=C][Ring2][Ring1][=Branch1] | N16CCOC2CC8CC21.c15ccc9cc1.C48=O.C7(C)C.CO5.C69.N47 |
1926739 | O=C(NCC1CC1)C1CC2OCCN(Cc3cccnc3)C2C1 | [O][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring1][C][C][C][O][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=N][C][Ring1][S] | C17CC2OCCN6C2C1.c19cccnc1.O=C47.C18CC1.N45.C58.C69 |
1926740 | COCC12CCCOC1CCN(C(=O)c1ccoc1)C2 | [C][O][C][C][C][C][C][O][C][Ring1][=Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][Ring1][P] | C126CCCOC1CCN3C2.c15ccoc1.C35=O.CO4.C46 |
1926741 | COCC12CCCOC1CCN(C(=O)c1cccnc1)C2 | [C][O][C][C][C][C][C][O][C][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring2][Ring1][C] | C126CCCOC1CCN3C2.c15cccnc1.C35=O.CO4.C46 |
1926742 | CCOCC12CCCOC1CCN(C(=O)c1ccoc1)C2 | [C][C][O][C][C][C][C][C][O][C][Ring1][=Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][Ring1][P] | C127CCCOC1CCN3C2.c16ccoc1.C36=O.CC4.O45.C57 |
1926743 | CCOCC12CCCOC1CCN(C(=O)c1ccoc1C)C2 | [C][C][O][C][C][C][C][C][O][C][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][Ring2][Ring1][C] | C127CCCOC1CCN3C2.c16ccoc1C.C36=O.CC4.O45.C57 |
1926744 | CCOCC12CCCOC1CCN(C(=O)c1cccnc1)C2 | [C][C][O][C][C][C][C][C][O][C][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring2][Ring1][C] | C127CCCOC1CCN3C2.c16cccnc1.C36=O.CC4.O45.C57 |
1926745 | C=CCOCC12CCCOC1CCN(C(=O)c1ccoc1C)C2 | [C][=C][C][O][C][C][C][C][C][O][C][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][Ring2][Ring1][C] | C127CCCOC1CCN3C2.c16ccoc1C.C=CC4.C36=O.O45.C57 |
1926746 | C=CCOCC12CCCOC1CCN(C(=O)c1cccnc1)C2 | [C][=C][C][O][C][C][C][C][C][O][C][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring2][Ring1][C] | C127CCCOC1CCN3C2.c16cccnc1.C=CC4.C36=O.O45.C57 |
1926748 | O=C(CC1CC1)NC1CN(Cc2cccnc2)CC2CCCOC21 | [O][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][C][C][O][C][Ring1][=Branch1][Ring1][P] | C15CN4CC2CCCOC12.c17cccnc1.O=C3C6.C16CC1.N35.C47 |
1926749 | CN(Cc1ccco1)C1CN(Cc2ccsc2)CC2CCCOC21 | [C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][N][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][C][C][C][C][C][O][C][Ring1][=Branch1][Ring1][S] | C15CN4CC2CCCOC12.c16ccco1.c17ccsc1.CN35.C36.C47 |
1926750 | O=C(CC1COCC2CN(C(=O)c3cnccn3)CC12)N1CCCC1 | [O][=C][Branch2][Ring1][=N][C][C][C][O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Ring1][P][Ring1][=N][N][C][C][C][C][Ring1][Branch1] | C17COCC2CN5CC12.c16cnccn1.N14CCCC1.O=C4C7.C56=O |
1926751 | O=C(CC1COCC2CN(C(=O)c3ccccn3)CC12)N1CCCC1 | [O][=C][Branch2][Ring1][=N][C][C][C][O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][P][Ring1][=N][N][C][C][C][C][Ring1][Branch1] | C17COCC2CN5CC12.c16ccccn1.N14CCCC1.O=C4C7.C56=O |
1926752 | O=C(CC1COCC2CN(c3ncccn3)CC12)N1CCOCC1 | [O][=C][Branch2][Ring1][=Branch2][C][C][C][O][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][#C][Ring1][O][N][C][C][O][C][C][Ring1][=Branch1] | C16COCC2CN5CC12.c15ncccn1.N14CCOCC1.O=C4C6 |
1926753 | O=C(NCC1CC1)C1CCC2C(CCN2Cc2cccs2)O1 | [O][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring1][C][C][C][C][C][Branch1][=C][C][C][N][Ring1][Branch1][C][C][=C][C][=C][S][Ring1][Branch1][O][Ring1][#C] | C16CCC2C(CCN25)O1.c17cccs1.O=C36.C18CC1.N34.C48.C57 |
1926754 | COC1CN(Cc2cnn(C)c2)C2CCCOC12 | [C][O][C][C][N][Branch1][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][C][C][O][C][Ring1][S][Ring1][=Branch1] | C13CN4C2CCCOC12.c15cnn(C)c1.CO3.C45 |
1926755 | COC1CN(C(=O)N2CCCC2)C2CCCOC12 | [C][O][C][C][N][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][C][C][O][C][Ring1][S][Ring1][=Branch1] | C15CN3C2CCCOC12.N14CCCC1.C34=O.CO5 |
1926756 | CCOC1CN(Cc2cnn(C)c2)C2CCCOC12 | [C][C][O][C][C][N][Branch1][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][C][C][O][C][Ring1][S][Ring1][=Branch1] | C14CN5C2CCCOC12.c16cnn(C)c1.CC3.O34.C56 |
1926757 | CCOC1CN(C(=O)N2CCCC2)C2CCCOC12 | [C][C][O][C][C][N][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][C][C][O][C][Ring1][S][Ring1][=Branch1] | C16CN3C2CCCOC12.N14CCCC1.C34=O.CC5.O56 |
1926758 | Cc1ccc(CN2CCC3OC(C(=O)NCC4CC4)CCC32)s1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][N][C][C][C][O][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][C][C][C][Ring1][=N][Ring1][S][S][Ring2][Ring1][=Branch1] | N16CCC2OC8CCC21.Cc1ccc9s1.C58=O.C1%10CC1.C69.N57.C7%10 |
1926759 | CCS(=O)(=O)N1CCC2OC(C(=O)N(C)C)CCC21 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][O][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][Ring1][O][Ring1][=C] | N14CCC2OC5CCC21.CCS4(=O)=O.C35=O.N3(C)C |
1926760 | CN(C)C(=O)C1CCC2C(CCN2C(=O)N(C)C)O1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][C][Branch1][#C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][O][Ring1][=C] | C16CCC2C(CCN24)O1.CN3C.C36=O.C45=O.N5(C)C |
1926761 | CN(C)C(=O)C1CCC2C(CCN2C(=O)N2CCCC2)O1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][C][Branch1][P][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][O][Ring1][S] | C16CCC2C(CCN24)O1.N15CCCC1.CN3C.C36=O.C45=O |
1926762 | O=C(NCC1OCC2CN(Cc3nccs3)CCC21)C1CC1 | [O][=C][Branch2][Ring1][#Branch2][N][C][C][O][C][C][C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][C][C][Ring1][N][Ring1][#C][C][C][C][Ring1][Ring1] | C18OCC2CN6CCC21.c19nccs1.O=C47.C17CC1.N45.C58.C69 |
1926763 | O=C(C1CC2OCCC2N(Cc2ccc(F)cc2)C1)N1CCCC1 | [O][=C][Branch2][Ring1][N][C][C][C][O][C][C][C][Ring1][Branch1][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][P][N][C][C][C][C][Ring1][Branch1] | C15CC2OCCC2N4C1.c16ccc(F)cc1.N13CCCC1.O=C35.C46 |
1926764 | Cn1cc(CN2CC(C(=O)NC3CC3)CC3OCCC32)cn1 | [C][N][C][=C][Branch2][Ring1][O][C][N][C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][C][O][C][C][C][Ring1][Branch1][Ring1][#C][C][=N][Ring2][Ring1][Branch1] | N15CC7CC2OCCC21.Cn1cc8cn1.C47=O.C16CC1.C58.N46 |
1926765 | O=C(Nc1cccnc1)C1CC2OCCC2N(Cc2ccncc2)C1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][O][C][C][C][Ring1][Branch1][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][S] | C16CC2OCCC2N4C1.c15cccnc1.c17ccncc1.O=C36.N35.C47 |
1926766 | COC1CCC2C1OCCN2Cc1cnn(C)c1 | [C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | C13CCC2C1OCCN24.c15cnn(C)c1.CO3.C45 |
1926767 | COC1CCC2C1OCCN2C(=O)c1ccoc1 | [C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1] | C14CCC2C1OCCN23.c15ccoc1.C35=O.CO4 |
1926768 | COC1CCC2C1OCCN2C(=O)c1ccoc1C | [C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C] | C14CCC2C1OCCN23.c15ccoc1C.C35=O.CO4 |
1926769 | COC1CCC2C1OCCN2C(=O)c1cccs1 | [C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | C14CCC2C1OCCN23.c15cccs1.C35=O.CO4 |
1926770 | COC1CCC2C1OCCN2S(=O)(=O)C1CC1 | [C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1] | C13CCC2C1OCCN24.S4(=O)(=O)C1CC1.CO3 |
1926771 | CCOC1CCC2C1OCCN2Cc1cnn(C)c1 | [C][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | C14CCC2C1OCCN25.c16cnn(C)c1.CC3.O34.C56 |
1926772 | CCOC1CCC2C1OCCN2Cc1ccc(F)cc1 | [C][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C14CCC2C1OCCN25.c16ccc(F)cc1.CC3.O34.C56 |
1926773 | CCOC1CCC2C1OCCN2C(=O)c1ccoc1 | [C][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1] | C15CCC2C1OCCN23.c16ccoc1.C36=O.CC4.O45 |
1926774 | CCOC1CCC2C1OCCN2C(=O)c1ccoc1C | [C][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C] | C15CCC2C1OCCN23.c16ccoc1C.C36=O.CC4.O45 |
1926775 | CCOC1CCC2C1OCCN2C(=O)c1cccn1C | [C][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C] | C15CCC2C1OCCN23.c16cccn1C.C36=O.CC4.O45 |
1926776 | CCOC1CCC2C1OCCN2C(=O)c1cccs1 | [C][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | C15CCC2C1OCCN23.c16cccs1.C36=O.CC4.O45 |
1926777 | CCOC1CCC2C1OCCN2S(=O)(=O)C1CC1 | [C][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1] | C14CCC2C1OCCN25.S5(=O)(=O)C1CC1.CC3.O34 |
1926778 | C=CCOC1CCC2C1OCCN2Cc1ccc(OC)cc1 | [C][=C][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | C14CCC2C1OCCN26.c17ccc5cc1.C=CC3.O34.C67.O5C |
1926779 | C=CCOC1CCC2C1OCCN2C(=O)c1ccoc1 | [C][=C][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1] | C15CCC2C1OCCN23.c16ccoc1.C=CC4.C36=O.O45 |
1926780 | C=CCOC1CCC2C1OCCN2C(=O)c1ccoc1C | [C][=C][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C] | C15CCC2C1OCCN23.c16ccoc1C.C=CC4.C36=O.O45 |
1926781 | C=CCOC1CCC2C1OCCN2C(=O)c1cccs1 | [C][=C][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | C15CCC2C1OCCN23.c16cccs1.C=CC4.C36=O.O45 |
1926782 | C=CCOC1CCC2C1OCCN2S(=O)(=O)C1CC1 | [C][=C][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1] | C14CCC2C1OCCN25.S5(=O)(=O)C1CC1.C=CC3.O34 |
1926783 | CN(C)C(=O)COC1CCC2C1OCCN2Cc1ccc(F)cc1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C15CCC2C1OCCN26.c17ccc(F)cc1.C3(=O)C4.CN3C.O45.C67 |
1926784 | CN(C)C(=O)COC1CCC2C1OCCN2C(=O)c1ccoc1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1] | C16CCC2C1OCCN24.c17ccoc1.C3(=O)C5.CN3C.C47=O.O56 |
1926785 | Cc1occc1C(=O)N1CCOC2C(OCC(=O)N(C)C)CCC21 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Branch1][N][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][Ring1][N][Ring1][S] | N13CCOC2C6CCC21.Cc1occc17.C5C4=O.C37=O.N4(C)C.O56 |
1926786 | CN(C)C(=O)COC1CCC2C1OCCN2C(=O)c1cccn1C | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C] | C16CCC2C1OCCN24.c17cccn1C.C3(=O)C5.CN3C.C47=O.O56 |
1926787 | c1cc(CN2CCOC3C(OCC4CCCC4)CCC32)cs1 | [C][=C][C][Branch2][Ring1][#Branch2][C][N][C][C][O][C][C][Branch1][#Branch2][O][C][C][C][C][C][C][Ring1][Branch1][C][C][C][Ring1][N][Ring1][S][=C][S][Ring2][Ring1][=Branch1] | N17CCOC2C6CCC21.c1cc9cs1.C18CCCC1.C79.O56.C58 |
1926789 | O=C(C1CCOCC1)N1CCOC2C(Oc3cccnc3)CCC21 | [O][=C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][N][C][C][O][C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][N][Ring1][S] | N14CCOC2C5CCC21.C17CCOCC1.c16cccnc1.O=C47.O56 |
1926790 | Cn1cccc1C(=O)N1CCOC2C(OCc3cccnc3)CCC21 | [C][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Branch1][O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][=N][Ring1][P] | N14CCOC2C6CCC21.Cn1cccc17.c18cccnc1.C47=O.O56.C58 |
1926791 | O=C(c1cnccn1)N1CCOC2C(OCc3cccnc3)CCC21 | [O][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][C][C][O][C][C][Branch1][O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][=N][Ring1][P] | N14CCOC2C6CCC21.c17cnccn1.c18cccnc1.O=C47.O56.C58 |
1926792 | c1ccc(COC2CCC3C2OCCN3CC2CCOCC2)nc1 | [C][=C][C][=C][Branch2][Ring1][=Branch2][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring2][Ring1][Branch2] | C15CCC2C1OCCN26.c1ccc7nc1.C18CCOCC1.C47.O45.C68 |
1926793 | c1cnn(CCCOC2CCC3C2OCCN3CC2CC2)c1 | [C][C][=N][N][Branch2][Ring1][Branch2][C][C][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][C][C][Ring1][Ring1][C][=Ring2][Ring1][=Branch1] | C15CCC2C1OCCN26.c1cnn7c1.C7CC4.C18CC1.O45.C68 |
1926794 | c1ccc(OC2CCC3C2OCCN3Cc2nccs2)nc1 | [C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][=N][C][=C][S][Ring1][Branch1][N][=C][Ring2][Ring1][=Branch1] | C15CCC2C1OCCN26.c1ccc4nc1.c17nccs1.O45.C67 |
1926795 | Fc1ccc(CN2CCOC3C(Oc4ccccn4)CCC32)cc1 | [F][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][C][O][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C][Ring1][N][Ring1][S][C][=C][Ring2][Ring1][#Branch1] | N17CCOC2C6CCC21.Fc1ccc8cc1.c15ccccn1.C78.O56 |
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