ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
14591 | CC(=O)c1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2] | S4(=O)(=O)c1ccc2[nH]c(=O)oc2c1.c16cccc5c1.CC6=O.N45 |
14592 | COC(=O)c1cn(C(=O)c2cc(OC)c(OC)c(OC)c2)nc1N | [C][O][C][=Branch1][C][=O][C][=C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][N][=C][Ring2][Ring1][Ring1][N] | c17cn(C8=O)nc1N.c18cc4c5c6c1.C37=O.CO3.O4C.O5C.O6C |
14593 | COC(=O)c1cnn(C(=O)c2ccccc2Br)c1N | [C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=Ring1][=C][N] | c14cnn(C5=O)c1N.c15ccccc1Br.C34=O.CO3 |
14594 | COC(=O)c1cn(C(=O)Cc2ccccc2)nc1N | [C][O][C][=Branch1][C][=O][C][=C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=C][N] | c14cn(C(=O)C5)nc1N.c15ccccc1.C34=O.CO3 |
14595 | COC(=O)c1cn(C(=O)c2ccccc2F)nc1N | [C][O][C][=Branch1][C][=O][C][=C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][=C][Ring1][=C][N] | c14cn(C5=O)nc1N.c15ccccc1F.C34=O.CO3 |
14596 | O=C(NCC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1F | [O][=C][Branch2][Ring1][=Branch2][N][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | N14CCN6CC1.c17ccccc1F.c16ccccc1.C5C4=O.O=C37.N35 |
14598 | COc1ccc(S(=O)(=O)NCCC(=O)N2CCOCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c14ccc(S6(=O)=O)cc1.N13CCOCC1.C5CC3=O.CO4.N56 |
14599 | COc1ccc(S(=O)(=O)NCCC(=O)N2CCCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1] | c14ccc(S6(=O)=O)cc1.C5CC3=O.N13CCCC1.CO4.N56 |
14600 | CC(C)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][F] | c16cc(S5(=O)=O)ccc1F.N15CCOCC1.CC(C)C4.C36=O.N34 |
14601 | COC(=O)C1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1 | [C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | C15Cc2ccccc2CN14.S4(=O)(=O)c1ccc(C)cc1.C35=O.CO3 |
14602 | COc1cc2c(cc1OC)CN(C(=O)c1ccccc1Cl)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring2][Ring1][Ring1] | c14cc2c(cc15)CN3CC2.c16ccccc1Cl.C36=O.CO4.O5C |
14603 | O=C(CSc1nc2ccccc2[nH]1)N1CCCCC1 | [O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1] | c15nc2ccccc2[nH]1.N13CCCCC1.O=C3C4.S45 |
14604 | O=C1CSc2ccc(C(=O)NCCc3ccccc3)cc2N1 | [O][=C][C][S][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] | O=C1CSc2ccc6cc2N1.c17ccccc1.C46=O.C5C7.N45 |
14605 | Cc1ccc(S(=O)(=O)NC(O)C(=O)c2cccs2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1ccc(S4(=O)=O)cc1.C3(O)C5=O.c15cccs1.N34 |
14606 | O=C1CSc2ccc(C(=O)NCc3cccnc3)cc2N1 | [O][=C][C][S][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][S][N][Ring2][Ring1][Ring2] | O=C1CSc2ccc6cc2N1.c17cccnc1.C46=O.N45.C57 |
14608 | COc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c14ccc(S6(=O)=O)cc1.C17CCCCC1.C5CC3=O.CO4.N56.N37 |
14609 | Cc1ccc(S(=O)(=O)NCCC(=O)N2CCOCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | Cc1ccc(S5(=O)=O)cc1.N13CCOCC1.C4CC3=O.N45 |
14610 | O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NC1CC1 | [O][=C][Branch2][Ring1][=Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][C][C][Ring1][Ring1] | S4(=O)(=O)c1ccc(Br)cc1.O=C2CC3.C15CC1.N34.N25 |
14613 | Cc1nc2ccc(C(=O)N3CCCCC3)cc2nc1C | [C][C][=N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C][N][=C][Ring2][Ring1][C][C] | Cc1nc2ccc5cc2nc1C.N14CCCCC1.C45=O |
14615 | COc1ccc2c(c1)c1c(n2C(C)=O)C(OC(C)=O)=NCC1 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][Branch1][=Branch2][N][Ring1][=Branch1][C][Branch1][C][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=N][C][C][Ring1][=C] | c14ccc2c(c1)c1c(n2C(C)=O)C(O3)=NCC1.C3(C)=O.CO4 |
14617 | NS(=O)(=O)c1cc(C(=O)Nc2ccccc2Cl)ccc1F | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][C][=C][Ring1][S][F] | NS(=O)(=O)c1cc5ccc1F.c14ccccc1Cl.C35=O.N34 |
14619 | COc1ccc(OCC(=O)n2nc(C)cc2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][P] | C3C(=O)n1nc(C)cc1C.c14ccc5cc1.CO4.O35 |
14621 | Cc1cccc(-n2cnc3cc(C(=O)N4CCOCC4)ccc32)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][N][N][C][=N][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=C][Ring1][P][=C][Ring2][Ring1][#Branch1] | n17cnc2cc6ccc21.Cc1cccc7c1.N15CCOCC1.C56=O |
14622 | Cc1cccc(-n2cnc3cc(C(=O)NCc4cccnc4)ccc32)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#C][N][C][=N][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring1][S][Ring2][Ring1][Ring1][=C][Ring2][Ring1][=Branch2] | n19cnc2cc7ccc21.Cc1cccc9c1.c18cccnc1.C57=O.N56.C68 |
14623 | Cc1cccc(-n2cnc3cc(C(=O)NCc4ccco4)ccc32)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=C][N][C][=N][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2] | n19cnc2cc7ccc21.Cc1cccc9c1.c18ccco1.C57=O.N56.C68 |
14625 | CC(=O)OC(C(=O)Nc1cccc(C)n1)c1ccccc1 | [C][C][=Branch1][C][=O][O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cccc(C)n1.c16ccccc1.C46C3=O.CC2=O.O24.N35 |
14626 | Cc1cccc(-n2c(C)nc3cc(C(=O)N4CCOCC4)ccc32)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][S][N][C][Branch1][C][C][=N][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=C][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2] | n17c(C)nc2cc6ccc21.Cc1cccc7c1.N15CCOCC1.C56=O |
14629 | COC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1F | [C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][=C][Ring1][S][F] | c15cc(S4(=O)=O)ccc1F.N14CCC(C)CC1.C35=O.CO3 |
14630 | CC1CCN(C(=O)c2ccc(Br)cc2)CC1 | [C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][Ring1][#C] | CC1CCN3CC1.c14ccc(Br)cc1.C34=O |
14631 | CCOC(=O)c1ccc(NC(=O)c2c(C)cc(=O)oc2C)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][Branch2][C][C][=C][Ring2][Ring1][C] | c18c(C)cc(=O)oc1C.c17ccc6cc1.C37=O.C48=O.CC5.O35.N46 |
14633 | CC(=O)Nc1c(N2CCCCC2)cnn(-c2ccccc2)c1=O | [C][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=O] | c14c5cnn6c1=O.N15CCCCC1.c16ccccc1.CC3=O.N34 |
14635 | COC(=O)c1ccc2c(c1)NC(=O)c1ccccc1S2 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=N] | c14ccc2c(c1)NC(=O)c1ccccc1S2.C34=O.CO3 |
14637 | Cc1cc(SCc2ccccc2)n2ncnc2n1 | [C][C][C][=C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][N][=C][Ring1][Branch1][N][=Ring1][P] | Cc1cc5n2ncnc2n1.c14ccccc1.S35.C34 |
14638 | O=C1COc2ccccc2N1Cc1ccccc1Cl | [O][=C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | O=C1COc2ccccc2N1C3.c13ccccc1Cl |
14639 | O=C(CNC(=O)c1ccco1)OCc1ccc(Br)cc1 | [O][=C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][O][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c17ccc(Br)cc1.c16ccco1.O=C2C5.C36=O.N35.O24.C47 |
14640 | Cc1ccccc1CN1CCN(CC(=O)NC2CCCCC2)C1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][#C][=O] | Cc1ccccc17.N15CCN6C1=O.C14CCCCC1.C6C3=O.C57.N34 |
14641 | CC(=O)c1nc2ccccc2n1S(=O)(=O)c1ccc(C)cc1 | [C][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c13nc2ccccc2n1S(=O)(=O)c1ccc(C)cc1.CC3=O |
14642 | COc1ccccc1Oc1nnnn1-c1ccccc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13ccccc14.c12nnnn15.c15ccccc1.CO3.O24 |
14643 | O=C(NCCc1ccc(Cl)cc1)c1ccc(N2CCCC2=O)cc1 | [O][=C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N] | c16ccc(Cl)cc1.c15ccc7cc1.N17CCCC1=O.O=C35.C4C6.N34 |
14644 | CC(=O)c1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1 | [C][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c13nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1.CC3=O |
14645 | CN(C)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N] | CN(C)S(=O)(=O)N5.c15ccc3cc1.c14ccccc1.O34 |
14646 | O=C(NCc1ccccc1)c1ccc2nc3c(cc2c1)CCS3 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][C][=Branch1][Branch2][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][S][Ring1][Branch2] | c16ccc2nc3c(cc2c1)CCS3.c17ccccc1.O=C46.N45.C57 |
14647 | COc1ccc(C(=O)Cc2cc3ccccc3oc2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][Ring2] | c16cc2ccccc2oc1=O.c14ccc5cc1.C5(=O)C6.CO4 |
14648 | COc1ccc(C(=O)Cc2cc3ccccc3oc2=O)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | c17cc2ccccc2oc1=O.c14ccc6c5c1.C6(=O)C7.CO4.O5C |
14651 | CCCN1C(=O)NC2(O)C(=O)c3ccccc3C12O | [C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][Ring1][O][O] | N14C(=O)NC2(O)C(=O)c3ccccc3C12O.CCC4 |
14653 | O=C1CSc2ccc(C(=O)NCc3ccccc3Cl)cc2N1 | [O][=C][C][S][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][P][N][Ring2][Ring1][Branch1] | O=C1CSc2ccc6cc2N1.c17ccccc1Cl.C46=O.N45.C57 |
14654 | O=C1CSc2ccc(C(=O)NC3CCCCCC3)cc2N1 | [O][=C][C][S][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][S][N][Ring2][Ring1][Ring2] | O=C1CSc2ccc6cc2N1.C15CCCCCC1.C46=O.N45 |
14655 | O=C1CSc2ccc(C(=O)NC3CCCCC3)cc2N1 | [O][=C][C][S][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][N][Ring2][Ring1][Ring1] | O=C1CSc2ccc6cc2N1.C15CCCCC1.C46=O.N45 |
14656 | CC(C)CCNC(=O)C1CC(=O)Nc2ccccc21 | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | C3(=O)C1CC(=O)Nc2ccccc21.CC(C)CC4.N34 |
14658 | COc1cc(C2OCC3(CO)C(C)C=C(C)C2C3C)ccc1O | [C][O][C][=C][C][Branch2][Ring1][=Branch2][C][O][C][C][Branch1][Ring1][C][O][C][Branch1][C][C][C][=C][Branch1][C][C][C][Ring1][N][C][Ring1][#Branch2][C][=C][C][=C][Ring2][Ring1][Ring2][O] | C16OCC25C(C)C=C(C)C1C2C.c14cc6ccc1O.CO4.C5O |
14659 | CCC(C)NC(=O)c1cnn2c(C)c(Cc3ccccc3)c(C)nc12 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=N][N][C][Branch1][C][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=N][C][=Ring2][Ring1][C][Ring1][#C] | c16cnn2c(C)c7c(C)nc12.c18ccccc1.CCC5C.C46=O.N45.C78 |
14660 | Cc1ccc(CSc2nc3nc(C)cc(C)n3n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][S][C][N][=C][N][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring1][Branch2][N][=Ring1][O][C][=C][Ring2][Ring1][Ring1] | c16nc2nc(C)cc(C)n2n1.Cc1ccc5cc1.C45.S46 |
14661 | COC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12 | [C][O][C][=Branch1][C][=O][C][C][=N][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][C][=Ring2][Ring1][C][Ring1][#C] | c15cnn2c6cc7nc12.c17cccs1.C6(F)(F)F.C45=O.CO4 |
14662 | COC(=O)c1cnn2c(C(F)(F)F)cc(C)nc12 | [C][O][C][=Branch1][C][=O][C][C][=N][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][C][C][=N][C][=Ring1][=C][Ring1][O] | c14cnn2c5cc(C)nc12.C5(F)(F)F.C34=O.CO3 |
14663 | COC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12 | [C][O][C][=Branch1][C][=O][C][C][=N][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][=Ring2][Ring1][C][Ring1][#C] | c15cnn2c6cc7nc12.c17ccco1.C6(F)(F)F.C45=O.CO4 |
14664 | O=C1CSc2ccc(C(=O)NCc3ccccc3)cc2N1 | [O][=C][C][S][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][N][Ring2][Ring1][Ring2] | O=C1CSc2ccc6cc2N1.c17ccccc1.C46=O.N45.C57 |
14666 | COc1ccccc1CNC(=O)c1ccc2c(c1)NC(=O)CS2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][Ring1][Branch2] | c16ccc2c(c1)NC(=O)CS2.c14ccccc17.C36=O.CO4.C57.N35 |
14667 | Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)CS3)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1] | c16ccc2c(c1)NC(=O)CS2.Cc1ccc7cc1.C46=O.C57.N45 |
14669 | CC1CCCCC1NC(=O)c1ccc2c(c1)NC(=O)CS2 | [C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][Ring1][Branch2] | c15ccc2c(c1)NC(=O)CS2.CC1CCCCC14.C35=O.N34 |
14670 | CC1CCC(NC(=O)c2ccc3c(c2)NC(=O)CS3)CC1 | [C][C][C][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][Ring1][Branch2][C][C][Ring2][Ring1][Ring2] | c16ccc2c(c1)NC(=O)CS2.CC1CCC5CC1.C46=O.N45 |
14671 | O=C1CSc2ccc(C(=O)NCc3ccco3)cc2N1 | [O][=C][C][S][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][Ring1] | O=C1CSc2ccc6cc2N1.c17ccco1.C46=O.N45.C57 |
14672 | O=C1CSc2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2N1 | [O][=C][C][S][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][N][Ring2][Ring1][=Branch1] | O=C1CSc2ccc6cc2N1.c17ccc(Cl)cc1.C46=O.C5C7.N45 |
14673 | O=C1CSc2ccc(C(=O)NCc3ccccn3)cc2N1 | [O][=C][C][S][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S][N][Ring2][Ring1][Ring2] | O=C1CSc2ccc6cc2N1.c17ccccn1.C46=O.N45.C57 |
14674 | Cc1cc(C)n2nc(CC(=O)NC3CCCCCC3)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1][N][=C][Ring1][S][N][=Ring2][Ring1][Branch1] | Cc1cc(C)n2nc6nc2n1.C15CCCCCC1.C6C4=O.N45 |
14675 | Cc1cc(C)n2nc(CC(=O)NC3CCCCC3C)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][N][=C][Ring1][S][N][=Ring2][Ring1][Branch1] | Cc1cc(C)n2nc6nc2n1.C15CCCCC1C.C6C4=O.N45 |
14676 | Cc1cc(C)n2nc(CC(=O)NCc3ccc(F)cc3)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][Ring1][P][N][=Ring2][Ring1][=Branch1] | Cc1cc(C)n2nc6nc2n1.c17ccc(F)cc1.C6C4=O.N45.C57 |
14677 | Cc1cc(C)n2nc(CC(=O)NCc3ccccc3Cl)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch1][P][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][=C][Ring1][P][N][=Ring2][Ring1][=Branch1] | Cc1cc(C)n2nc6nc2n1.c17ccccc1Cl.C6C4=O.N45.C57 |
14679 | Cc1ccc(S(=O)(=O)NCCC(=O)NC2CCCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2] | Cc1ccc(S5(=O)=O)cc1.C4CC3=O.C16CCCC1.N45.N36 |
14681 | Cc1cc(C)n2nc(SCc3ccccc3C)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch1][N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][Ring1][=C][N][=Ring2][Ring1][Ring1] | Cc1cc(C)n2nc6nc2n1.c15ccccc1C.S46.C45 |
14682 | Cc1cccc(CSc2nc3nc(C)cc(C)n3n2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][S][C][N][=C][N][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring1][Branch2][N][=Ring1][O][=C][Ring2][Ring1][Ring1] | c16nc2nc(C)cc(C)n2n1.Cc1cccc5c1.C45.S46 |
14683 | CCc1ccccc1NC(=O)CSc1nc2nc(C)cc(C)n2n1 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][N][=C][N][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring1][Branch2][N][=Ring1][O] | c17nc2nc(C)cc(C)n2n1.c16ccccc15.C3(=O)C4.CC6.N35.S47 |
14684 | CC1(C)CC(=O)c2cnc3nc4ccccc4n3c2C1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Ring1][=N][C][Ring2][Ring1][Ring1] | CC1(C)CC(=O)c2cnc3nc4ccccc4n3c2C1 |
14685 | COc1cccc(NC(=O)CSc2nc3nc(C)cc(C)n3n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][S][C][N][=C][N][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring1][Branch2][N][=Ring1][O][=C][Ring2][Ring1][=Branch1] | c18nc2nc(C)cc(C)n2n1.c15cccc7c1.C4(=O)C6.CO5.N47.S68 |
14686 | Cc1cc(C)n2nc(SCc3cccc(F)c3)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch1][=C][S][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][=C][Ring1][=C][N][=Ring2][Ring1][Ring1] | Cc1cc(C)n2nc6nc2n1.c15cccc(F)c1.S46.C45 |
14687 | CCN(C(=O)CSc1nc2nc(C)cc(C)n2n1)c1ccccc1 | [C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][S][C][N][=C][N][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring1][Branch2][N][=Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17nc2nc(C)cc(C)n2n1.c16ccccc1.C3(=O)C5.N346.CC4.S57 |
14688 | CCC(C)NC(=O)CSc1nc2nc(C)cc(C)n2n1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][N][=C][N][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring1][Branch2][N][=Ring1][O] | c16nc2nc(C)cc(C)n2n1.CCC4C.C3(=O)C5.N34.S56 |
14689 | Cc1cc(C)n2nc(SCC(=O)Nc3cccc(Cl)c3)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=C][Ring1][P][N][=Ring2][Ring1][=Branch1] | Cc1cc(C)n2nc7nc2n1.c16cccc(Cl)c1.C5C4=O.S57.N46 |
14690 | Cc1cc(C)n2nc(SCC(=O)Nc3ccc(C)c(C)c3)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch2][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][N][=C][Ring2][Ring1][C][N][=Ring2][Ring1][#Branch1] | Cc1cc(C)n2nc7nc2n1.c16ccc(C)c(C)c1.C5C4=O.S57.N46 |
14691 | CCN(c1ccccc1)c1nc2nonc2n2cnnc12 | [C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=N][O][N][=C][Ring1][Branch1][N][C][=N][N][=C][Ring1][N][Ring1][Branch1] | c14nc2nonc2n2cnnc12.c15ccccc1.N345.CC3 |
14692 | Cc1nc2ccccn2c1C(=O)Nc1cccc(Cl)c1 | [C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | Cc1nc2ccccn2c15.c14cccc(Cl)c1.C35=O.N34 |
14698 | CCCN1C(=O)CN(C2CCC(C)CC2)C(=O)C1c1ccc(C)cc1 | [C][C][C][N][C][=Branch1][C][=O][C][N][Branch1][N][C][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][#C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | N13C(=O)CN4C(=O)C15.C14CCC(C)CC1.c15ccc(C)cc1.CCC3 |
14699 | CCCN1C(=O)CN(C2CCC(C)CC2)C(=O)C1c1ccc(F)cc1 | [C][C][C][N][C][=Branch1][C][=O][C][N][Branch1][N][C][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | N13C(=O)CN4C(=O)C15.C14CCC(C)CC1.c15ccc(F)cc1.CCC3 |
14700 | Cc1ccc(C2C(=O)N(C3CCC(C)CC3)CC(=O)N2C2CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][P][C][C][=Branch1][C][=O][N][Branch1][N][C][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][Ring1][#C][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][Branch2] | C16C(=O)N4CC(=O)N15.Cc1ccc6cc1.C14CCC(C)CC1.C15CC1 |
14701 | Cc1cc(C(=O)NCc2ccccn2)c2ccccc2n1 | [C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] | Cc1cc5c2ccccc2n1.c16ccccn1.C35=O.N34.C46 |
14702 | Cc1cc(C(=O)NC2CCCC2)c2ccccc2n1 | [C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][C] | Cc1cc5c2ccccc2n1.C14CCCC1.C35=O.N34 |
14704 | Cc1cc(C(=O)NCC2CCCO2)c2ccccc2n1 | [C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | Cc1cc5c2ccccc2n1.C16CCCO1.C35=O.N34.C46 |
14706 | CC1CCC(N2CC(=O)N(C3CC3)C(c3ccc(F)cc3)C2=O)CC1 | [C][C][C][C][C][Branch2][Ring1][P][N][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][P][=O][C][C][Ring2][Ring1][Branch2] | N14CC(=O)N5C6C1=O.CC1CCC4CC1.c16ccc(F)cc1.C15CC1 |
14707 | FC(F)(F)c1cccc(-c2nnc(-c3ccncc3)o2)c1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][O][Ring1][O][=C][Ring1][P] | c14cccc5c1.c15nnc6o1.c16ccncc1.FC4(F)F |
14708 | Cc1cc(C)n2nc(SCC(=O)N3CCCC3)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][=C][Ring1][=C][N][=Ring2][Ring1][Ring1] | Cc1cc(C)n2nc6nc2n1.N14CCCC1.C5C4=O.S56 |
14709 | Cc1cc(C)n2nc(SCC(=O)NC(C)C)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch1][=N][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][N][=C][Ring1][=N][N][=Ring2][Ring1][C] | Cc1cc(C)n2nc6nc2n1.C5C3=O.C4(C)C.S56.N34 |
14711 | Cc1cc(C)n2nc(SCC(=O)NCc3cccnc3)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][Ring1][P][N][=Ring2][Ring1][=Branch1] | Cc1cc(C)n2nc8nc2n1.c17cccnc1.C6C4=O.S68.N45.C57 |
14712 | Cc1cc(C)n2nc(SCC(=O)NCC3CCCO3)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][N][=C][Ring1][S][N][=Ring2][Ring1][Branch1] | Cc1cc(C)n2nc8nc2n1.C17CCCO1.C6C4=O.S68.N45.C57 |
14714 | Cc1cc(C)n2nc(SCC(=O)NC3CCC(C)CC3)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][N][=C][Ring1][P][N][=Ring2][Ring1][=Branch1] | Cc1cc(C)n2nc7nc2n1.C16CCC(C)CC1.C5C4=O.S57.N46 |
14715 | Cc1cc(C)n2nc(SCC(=O)NC3CC3)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch1][=N][S][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][N][=C][Ring1][=N][N][=Ring2][Ring1][C] | Cc1cc(C)n2nc7nc2n1.C5C4=O.C16CC1.S57.N46 |
14716 | Cc1cc(C)n2nc(SCC(=O)NC3CCCCC3C)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][N][=C][Ring1][P][N][=Ring2][Ring1][=Branch1] | Cc1cc(C)n2nc7nc2n1.C16CCCCC1C.C5C4=O.S57.N46 |
14720 | O=C1C(c2ccc(F)cc2)N(C2CCCC2)C(=O)CN1C1CCCC1 | [O][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][C][N][Ring2][Ring1][Ring1][C][C][C][C][C][Ring1][Branch1] | O=C1C5N3C(=O)CN14.c15ccc(F)cc1.C13CCCC1.C14CCCC1 |
14721 | CC(Oc1cccc(Cl)c1)C(=O)NCc1ccc2c(c1)OCO2 | [C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c17ccc2c(c1)OCO2.c15cccc(Cl)c1.CC4C3=O.O45.N36.C67 |
14722 | Cc1ccc(CNC(=O)c2c(C)cc(=O)oc2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][Branch2][C][C][=C][Ring2][Ring1][Ring1] | c15c(C)cc(=O)oc1C.Cc1ccc6cc1.C35=O.C46.N34 |
14724 | COc1ccc(CCNC(=O)c2c(C)cc(=O)oc2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][Branch2][C][C][=C][Ring2][Ring1][Ring2][O][C] | c17c(C)cc(=O)oc1C.c14ccc8cc15.C8C6.C37=O.CO4.N36.O5C |
14725 | Cc1cc(=O)oc(C)c1C(=O)NCCc1ccccc1 | [C][C][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1cc(=O)oc(C)c14.c15ccccc1.C24=O.C3C5.N23 |
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