ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
29615 | CCC(=O)c1cc(-c2nc3ccccc3n2C)n(C)c1 | [C][C][C][=Branch1][C][=O][C][C][=C][Branch1][#C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][N][Branch1][C][C][C][=Ring1][S] | c15nc2ccccc2n1C.c14cc5n(C)c1.CCC4=O |
29616 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC1CCCO1 | [C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1] | Cc1c(Cl)c6nn14.C15CCCO1.C6(F)(F)F.C4C2=O.N23.C35 |
29617 | Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCc1cccnc1 | [C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cc1c(Cl)c5nn14.c16cccnc1.C5(F)(F)F.C4C2=O.N23.C36 |
29618 | NC(=O)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 | [N][C][=Branch1][C][=O][C][C][=C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][P][N][=Ring2][Ring1][Ring2] | c14cc2nc6cc5n2n1.c16ccc(Cl)cc1.C5(F)(F)F.NC4=O |
29619 | C=CCn1c2ccccc2c2nnc(SC)nc21 | [C][=C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][Ring1][S][C][N][=C][Ring1][Branch2][Ring1][#C] | n13c2ccccc2c2nnc4nc21.C=CC3.S4C |
29620 | CCOC(=O)C1=C(C)NC(=O)NC1c1cccnc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1] | C2(=O)C1=C(C)NC(=O)NC14.c14cccnc1.CC3.O23 |
29621 | CCC(=O)Nc1ccc(NC(=O)c2ccc(OC)cc2)cc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring1][P] | c16ccc7cc1.c18ccc5cc1.CCC3=O.C48=O.N36.N47.O5C |
29622 | CCOc1ccc(C(=O)Nc2ccc(NC(=O)CC)cc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][N][C][=Branch1][C][=O][C][C][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c16ccc9cc1.c17ccc8cc1.C4(=O)CC.C39=O.CC5.O56.N37.N48 |
29623 | CCCC(=O)N1CCN(c2ccc(F)cc2)CC1 | [C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | N13CCN4CC1.c14ccc(F)cc1.CCCC3=O |
29624 | COc1ccc(Cl)cc1NC(=O)C1CCCO1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1] | c13ccc(Cl)cc14.C15CCCO1.C25=O.CO3.N24 |
29625 | Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(N)=O)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][Branch1][C][C][=C][Ring2][Ring1][Branch1] | Cc1cc(C)c(S3(=O)=O)c(C)c1.c14ccccc15.C5(N)=O.N34 |
29629 | CC(C)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C] | c15ccc6cc1.CC(C)C3=O.c17ccco1.C47=O.N35.N46 |
29630 | CCc1c(C)sc(NC(=O)c2ccc(OC)cc2)c1C(N)=O | [C][C][C][=C][Branch1][C][C][S][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Ring1][P][C][Branch1][C][N][=O] | c18c(C)sc5c17.c16ccc4cc1.C36=O.C7(N)=O.CC8.N35.O4C |
29631 | CCOC(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1 | [C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][=O][C][=C][Ring1][=N] | c17ccc(S6(=O)=O)cc1.C23=O.C4(C)=O.CC5.O25.N37.N46 |
29632 | CCc1c(C)sc(NC(=O)C2CCCO2)c1C(N)=O | [C][C][C][=C][Branch1][C][C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][=C][Ring1][=C][C][Branch1][C][N][=O] | c17c(C)sc4c16.C15CCCO1.C35=O.C6(N)=O.CC7.N34 |
29633 | Cc1onc(-c2ccccc2Cl)c1C(=O)N1C(C)CCCC1C | [C][C][O][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][C] | N13C(C)CCCC1C.Cc1onc5c14.c15ccccc1Cl.C34=O |
29637 | Cc1cc(OCC(=O)NCc2cccnc2)cc(C)c1Cl | [C][C][=C][C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][Cl] | Cc1cc5cc(C)c1Cl.c17cccnc1.C4C3=O.O45.N36.C67 |
29638 | COc1cccc(OC)c1C(=O)Nc1ccccc1C(N)=O | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O] | c13cccc4c16.c15ccccc17.C26=O.C7(N)=O.CO3.O4C.N25 |
29639 | CCC1CCc2c(sc(NC(=O)c3cccnc3)c2C(N)=O)C1 | [C][C][C][C][C][C][=C][Branch2][Ring1][#Branch2][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][=C][C][Branch1][C][N][=O][C][Ring2][Ring1][Branch1] | C18CCc2c(sc5c27)C1.c16cccnc1.C46=O.C7(N)=O.CC8.N45 |
29640 | COc1cc2[nH]c(=O)n(-c3ccccc3)c(=O)c2cc1OC | [C][O][C][=C][C][NH1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][=C][C][=C][Ring2][Ring1][C][O][C] | c14cc2[nH]c(=O)n6c(=O)c2cc15.c16ccccc1.CO4.O5C |
29641 | Cc1cc(C)c(NC(=O)c2c(-c3ccccc3)noc2C)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][C][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1] | Cc1cc(C)c5c(C)c1.c16c7noc1C.c17ccccc1.C46=O.N45 |
29642 | CC(=O)Oc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][=C][Ring2][Ring1][C] | c16c(C)cc(C)cc1C.c15ccc7cc1.CC3=O.C47=O.O35.N46 |
29644 | CCOC(=O)c1c(NC(=O)OC)sc(C)c1CC | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][Branch2][N][C][=Branch1][C][=O][O][C][S][C][Branch1][C][C][=C][Ring1][O][C][C] | c17c6sc(C)c18.C27=O.C34=O.CC5.O25.N46.O3C.C8C |
29645 | O=S(=O)(NCc1ccc(F)cc1)c1ccccc1 | [O][=S][=Branch1][C][=O][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=S3(=O)c1ccccc1.c14ccc(F)cc1.N23.C24 |
29646 | CCOC(=O)C1=C(C)NC(=O)NC1c1cc(C)cs1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][Branch1][C][C][=C][S][Ring1][=Branch1] | C2(=O)C1=C(C)NC(=O)NC14.c14cc(C)cs1.CC3.O23 |
29648 | CC(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][P] | c17cc(Cl)ccc1Cl.c15ccc6cc1.CC3=O.C47=O.N35.N46 |
29649 | CC(Oc1cccc(Cl)c1)C(=O)NCc1ccncc1 | [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][=N][C][=C][Ring1][=Branch1] | c14cccc(Cl)c1.c16ccncc1.CC3C2=O.O34.N25.C56 |
29650 | CCC(Oc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 | [C][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] | c15ccc(S(N)(=O)=O)cc1.CCC3C2=O.c14ccccc1.O34.N25 |
29651 | CCOc1ccc(C(=O)NC(C)(C)C)cc1Cl | [C][C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N][Cl] | c14ccc6cc1Cl.C5(C)(C)C.C26=O.CC3.O34.N25 |
29652 | CC1CCc2c(sc(NC(=O)Cc3ccccc3)c2C(N)=O)C1 | [C][C][C][C][C][=C][Branch2][Ring1][O][S][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C][C][Branch1][C][N][=O][C][Ring2][Ring1][=Branch1] | CC1CCc2c(sc5c26)C1.c17ccccc1.C4(=O)C7.C6(N)=O.N45 |
29653 | CC(=O)Nc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][P] | c17c(Cl)cccc1Cl.c15ccc6cc1.CC3=O.C47=O.N35.N46 |
29654 | Cc1ccccc1OCc1nc(-c2cccnc2)no1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O] | Cc1ccccc14.c15nc6no1.c16cccnc1.O34.C35 |
29655 | COc1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | c16ccc2c(c1)OCCO2.c15ccc7cc1.C7CC4=O.CO5.N46 |
29656 | COc1ccc(NC(=O)C(C)Oc2ccc(OC)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] | c15ccc8cc1.c16ccc7cc1.C3(=O)C4C.CO5.N38.O46.O7C |
29657 | COc1ccc(C(=O)NCCC2=CCCCC2)cc1OC | [C][O][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][O][C] | c14ccc7cc15.C6CC1=CCCCC1.C37=O.CO4.N36.O5C |
29659 | COc1cc(NC(=O)c2cnccn2)c(OC)cc1Cl | [C][O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring1][P][Cl] | c14cc6c5cc1Cl.c17cnccn1.C37=O.CO4.N36.O5C |
29660 | COC(=O)Nc1sc2c(c1C(N)=O)CCC(C)C2 | [C][O][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=Branch2][C][=Ring1][Branch1][C][Branch1][C][N][=O][C][C][C][Branch1][C][C][C][Ring1][O] | c15sc2c(c16)CCC(C)C2.C34=O.C6(N)=O.CO3.N45 |
29661 | CSc1ccccc1NC(=O)c1c(F)cccc1F | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] | c14c(F)cccc1F.c15ccccc13.C24=O.CS5.N23 |
29662 | CCOc1ccc(C(=O)NCc2cccs2)cc1OCC | [C][C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][#C][O][C][C] | c16ccc9cc17.c1%10cccs1.C39=O.CC4.O46.N38.C8%10.O57.C5C |
29663 | O=C(NCc1ccccc1Cl)c1c(F)cccc1F | [O][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] | c14c(F)cccc1F.c15ccccc1Cl.O=C24.N23.C35 |
29664 | Cc1cc(NC(=O)c2cccc(OC(C)C)c2)no1 | [C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][Ring1][#Branch2][=N][O][Ring2][Ring1][C] | c17cccc5c1.Cc1cc6no1.C37=O.C4(C)C.N36.O45 |
29665 | CC(C)COc1ccc(C(=O)N2CCCCCC2)cc1 | [C][C][Branch1][C][C][C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][#C] | c15ccc6cc1.N13CCCCCC1.CC(C)C4.C36=O.O45 |
29666 | Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCCCC1 | [C][C][O][N][=C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Ring1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | c15c(F)cccc1Cl.Cc1onc5c14.N13CCCCC1.C34=O |
29667 | COc1ccccc1Cc1noc(-c2ccc(OC)c(OC)c2)n1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][O][C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=N][Ring1][#C] | c18ccc4c5c1.c13ccccc17.c16noc8n1.CO3.C67.O4C.O5C |
29668 | O=C(COc1ccc2ccccc2c1)NCC1CCCO1 | [O][=C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1] | c15ccc2ccccc2c1.C17CCCO1.O=C3C4.O45.N36.C67 |
29669 | O=C(CCc1ccccc1)NCc1ccc(F)cc1 | [O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc(F)cc1.c14ccccc1.O=C2CC4.N23.C35 |
29671 | c1ccc(CCc2nc(-c3ccncc3)no2)cc1 | [C][=C][C][=C][Branch2][Ring1][Ring2][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c1ccc5cc1.c14nc6no1.c16ccncc1.C5C4 |
29675 | CCOc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][C] | c14ccc(S6(=O)=O)cc1.c17ccccc15.CC3.O34.N67.O5C |
29676 | COc1ccccc1C(=O)OCC(=O)c1ccccc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc15.c16ccccc1.C3C6=O.C25=O.CO4.O23 |
29677 | COc1ccccc1NC(=O)CSc1ccccc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13ccccc15.c16ccccc1.C2(=O)C4.CO3.N25.S46 |
29678 | Cc1cccc(NC(=O)COc2ccc3ccccc3c2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][Ring2][Ring1][Branch1] | c16ccc2ccccc2c1.Cc1cccc7n1.C4(=O)C5.N47.O56 |
29679 | Cc1cccc(OCc2nc(-c3ccccn3)no2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring2][Ring1][Ring1] | Cc1cccc5c1.c16nc7no1.c17ccccn1.O45.C46 |
29680 | C#Cc1cccc(NC(=O)COc2ccccc2OC)c1 | [C][#C][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring2][Ring1][Ring1] | C#Cc1cccc7c1.c15ccccc16.C3(=O)C4.N37.O45.O6C |
29681 | O=C(COc1ccc2ccccc2c1)N1CCCC1 | [O][=C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][C][C][Ring1][Branch1] | c15ccc2ccccc2c1.N13CCCC1.O=C3C4.O45 |
29682 | COc1ccc(CNC(=O)CCc2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch1][P][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c14ccc6cc1.c17ccccc1.C3(=O)CC7.CO4.C56.N35 |
29683 | CC(=O)C(C)Oc1cc(C)cc2oc(=O)c3c(c12)CCCC3 | [C][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][Branch1][C][C][=C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch1][C][Ring1][N][=Ring1][#Branch1][C][C][C][C][Ring1][#Branch1] | c15cc(C)cc2oc(=O)c3c(c12)CCCC3.CC(=O)C4C.O45 |
29684 | COc1cc(NC(=O)CCc2ccccc2)cc(OC)c1 | [C][O][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c14cc5cc6c1.c17ccccc1.C3(=O)CC7.CO4.N36.O5C |
29685 | O=C(COc1ccc2ccccc2c1)Nc1ccc2c(c1)OCCO2 | [O][=C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c15ccc2ccccc2c1.c16ccc2c(c1)OCCO2.O=C3C4.O45.N36 |
29686 | O=C(COC(=O)c1ccccn1)c1ccc(Br)cc1 | [O][=C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c15ccc(Br)cc1.c14ccccn1.O=C5C3.C24=O.O23 |
29688 | Brc1ccc(OCc2nc(-c3cccnc3)no2)cc1 | [Br][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][Ring1] | Brc1ccc5cc1.c16nc7no1.c17cccnc1.O45.C46 |
29690 | O=C(COc1ccc2ccc(=O)oc2c1)OCc1ccccc1 | [O][=C][Branch2][Ring1][Ring2][C][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccc2ccc(=O)oc2c1.c17ccccc1.O=C3C4.O46.O35.C57 |
29692 | O=C(Cc1ccc(Br)cc1)Nc1ccncc1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=C][C][=N][C][=C][Ring1][=Branch1] | c14ccc(Br)cc1.c13ccncc1.O=C2C4.N23 |
29693 | COc1ccc(N(CC(N)=O)S(C)(=O)=O)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#C][O][C] | c12ccc6cc13.C4C(N)=O.S5(C)(=O)=O.N456.CO2.O3C |
29695 | CNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][C] | c17ccc6cc1.c18ccccc1.S5(C)(=O)=O.C37=O.N456.CN3.C48 |
29696 | COc1ccc(NC(=O)CCSc2ccccc2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c14ccc7c5c1.c18ccccc1.C3(=O)CC6.CO4.N37.S68.O5C |
29697 | CC(=O)Nc1ccccc1NC(=O)c1ccc(Br)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccccc15.c16ccc(Br)cc1.CC2=O.C36=O.N24.N35 |
29698 | CC(=O)Nc1ccc(NC(=O)COc2c(C)cc(C)cc2Cl)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][Cl][C][=C][Ring2][Ring1][Ring2] | c16c(C)cc(C)cc1Cl.c17ccc8cc1.C4(=O)C5.CC3=O.N37.N48.O56 |
29699 | CCCC(C)C(=O)N1CCN(c2ccccc2)CC1 | [C][C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | CCCC(C)C3=O.N13CCN4CC1.c14ccccc1 |
29700 | Cc1cccc(N(CC(=O)N(C)C)S(C)(=O)=O)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][P] | Cc1cccc5c1.C3C2=O.S4(C)(=O)=O.N345.N2(C)C |
29701 | COc1ccc(NC(=O)COc2ccccc2OC)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][Ring1][O][C] | c15ccc9cc18.c16ccccc17.C3(=O)C4.CO5.N39.O46.O7C.O8C |
29703 | CCOc1ccccc1N(CC(=O)N1CCCC1)S(C)(=O)=O | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | c14ccccc17.N12CCCC1.C5C2=O.S6(C)(=O)=O.N567.CC3.O34 |
29704 | Cc1ccc(Cl)cc1N(CC(=O)N1CCCCC1)S(C)(=O)=O | [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1ccc(Cl)cc15.N12CCCCC1.C3C2=O.S4(C)(=O)=O.N345 |
29706 | CCOc1ccc(N(CC(=O)NC)S(C)(=O)=O)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][Branch1][Branch2][C][C][=Branch1][C][=O][N][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][S] | c14ccc7cc1.C5C2=O.S6(C)(=O)=O.N567.CC3.O34.N2C |
29707 | CCOc1ccccc1N(CC(=O)NC)S(C)(=O)=O | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Branch2][C][C][=Branch1][C][=O][N][C][S][Branch1][C][C][=Branch1][C][=O][=O] | c14ccccc17.C5C2=O.S6(C)(=O)=O.N567.CC3.O34.N2C |
29708 | CS(=O)(=O)N(CC(=O)N1CCCC1)c1ccccc1F | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c15ccccc1F.N12CCCC1.CS4(=O)=O.C3C2=O.N345 |
29709 | O=C(CCSc1ccccc1)NCc1ccccc1 | [O][=C][Branch1][N][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc1.c15ccccc1.O=C2CC4.S46.N23.C35 |
29710 | CC(C)CNC(=O)C1CC(=O)N(c2ccc(Br)cc2)C1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][=N] | C15CC(=O)N6C1.c16ccc(Br)cc1.CC(C)C4.C35=O.N34 |
29713 | Cc1ccc(N(CC(N)=O)S(=O)(=O)c2ccc(F)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | S4(=O)(=O)c1ccc(F)cc1.Cc1ccc5cc1.C3C(N)=O.N345 |
29714 | CC(NC(=O)CSc1ccccc1)c1ccccc1 | [C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc1.c15ccccc1.C2(=O)C4.CC35.N23.S46 |
29716 | O=C(c1ccc(CSc2ccccc2)cc1)N1CCOCC1 | [O][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc6cc1.c17ccccc1.N13CCOCC1.O=C35.C46.S47 |
29717 | O=C(NCc1ccc2c(c1)OCO2)C1CC(=O)N(c2ccccc2)C1 | [O][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N] | c16ccc2c(c1)OCO2.C15CC(=O)N7C1.c17ccccc1.O=C35.N34.C46 |
29718 | CCc1ccc(N2CC(C(=O)NCc3ccc(C)cc3)CC2=O)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=N][N][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring1][S][=O][C][=C][Ring2][Ring1][#Branch1] | c17ccc9cc1.N19CC6CC1=O.c18ccc(C)cc1.C46=O.CC7.N45.C58 |
29719 | COc1ccc(Cl)cc1C(=O)N1CCOCC1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c13ccc(Cl)cc14.N12CCOCC1.C24=O.CO3 |
29720 | CNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 | [C][N][C][=Branch1][C][=O][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(C)cc1.c15ccccc1C.C2(=O)C3.N345.CN2 |
29721 | CC(C)CNC(=O)CSc1ccc(Cl)cc1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(Cl)cc1.CC(C)C3.C2(=O)C4.N23.S45 |
29722 | COC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][N][Branch1][#C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] | c15cc(C)cc(C)c1.C2(=O)C3.S4(C)(=O)=O.N345.CO2 |
29723 | COC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 | [C][O][C][=Branch1][C][=O][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.c15cccc(C)c1.C2(=O)C3.N345.CO2 |
29724 | CC(=O)c1c(-c2ccccc2)nc2nonc2c1N | [C][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][O][N][=C][Ring1][Branch1][C][=Ring1][#C][N] | c13c4nc2nonc2c1N.c14ccccc1.CC3=O |
29725 | CC(=O)Nc1ccccc1NC(=O)c1ccccc1Br | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c14ccccc15.c16ccccc1Br.CC2=O.C36=O.N24.N35 |
29726 | CC(=O)c1ccc(NC(=O)COc2ccccc2C(N)=O)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][Ring2] | c17ccc6cc1.c15ccccc18.C3(=O)C4.CC7=O.C8(N)=O.N36.O45 |
29727 | Cc1ccc(SCC(=O)N2CCOCC2)cc1 | [C][C][=C][C][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][S] | Cc1ccc5cc1.N13CCOCC1.C4C3=O.S45 |
29728 | Cc1ccc(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc6cc1.c17ccc(F)cc1.C3(=O)C4.S5(C)(=O)=O.N457.N36 |
29729 | Cc1ccc(S(=O)(=O)N(CC(N)=O)c2ccccc2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S4(=O)=O)cc1.c15ccccc1C.C3C(N)=O.N345 |
29730 | O=C(NCc1ccc(F)cc1)c1ccc(Br)cc1 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c15ccc(F)cc1.c14ccc(Br)cc1.O=C24.N23.C35 |
29731 | O=C(Nc1ccc2ccccc2c1)C1COc2ccccc2O1 | [O][=C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | c14ccc2ccccc2c1.C15COc2ccccc2O1.O=C35.N34 |
29732 | O=C(CCSc1ccccc1)N1CCOCC1 | [O][=C][Branch1][N][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c14ccccc1.N12CCOCC1.O=C2CC3.S34 |
29733 | CNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 | [C][N][C][=Branch1][C][=O][C][N][Branch1][=N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.c15cc(C)ccc1C.C2(=O)C3.N345.CN2 |
29734 | Cc1ccc(N(CC(=O)N(C)C)S(C)(=O)=O)cc1C | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][P][C] | Cc1ccc5cc1C.C3C2=O.S4(C)(=O)=O.N345.N2(C)C |
29735 | O=C(Cc1ccc(Br)cc1)N1CCOCC1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c13ccc(Br)cc1.N12CCOCC1.O=C2C3 |
29737 | CC1CCCN(C(=O)Cc2ccc(Br)cc2)C1 | [C][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][S] | CC1CCCN3C1.c14ccc(Br)cc1.C3(=O)C4 |
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