ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
2975 | COc1ccc(C(=O)NCc2ccco2)cc1OC | [C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][#C][O][C] | c14ccc7cc15.c18ccco1.C37=O.CO4.N36.C68.O5C |
2976 | Cc1ccc2c(N)c(C(=O)c3ccccc3)sc2n1 | [C][C][=C][C][=C][C][Branch1][C][N][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][=C][=N][Ring2][Ring1][C] | Cc1ccc2c(N)c4sc2n1.c15ccccc1.C45=O |
2977 | COc1ccc(C(=O)NCC(C)c2ccccc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][O][C] | c14ccc7cc15.c18ccccc1.C6C8C.C37=O.CO4.N36.O5C |
2978 | Cc1nc(SCC(=O)NC(C)(C)C)c(C#N)c(C)c1C | [C][C][=N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][C][=C][Ring2][Ring1][C][C] | Cc1nc5c(C#N)c(C)c1C.C4C2=O.C3(C)(C)C.S45.N23 |
2980 | CC(=O)Nc1ccc(NC(=O)COc2ccc(C)cc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c17ccc8cc1.c16ccc(C)cc1.C4(=O)C5.CC3=O.N37.N48.O56 |
2984 | O=C(NCc1cccnc1)c1ccc(Cl)cc1Cl | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c14ccc(Cl)cc1Cl.c15cccnc1.O=C24.N23.C35 |
2985 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccc2c(c1)OCO2 | [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][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | C3(=O)C1=C(C)NC(=O)NC15.c15ccc2c(c1)OCO2.CC4.O34 |
2989 | CC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c17ccc6cc1.c15ccc(Br)cc1.C3(=O)C4.CC7=O.N36.O45 |
2993 | Nc1ccc(C(=O)Nc2ccc(N)cc2Cl)cc1 | [N][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][P] | c14ccc(N)cc1Cl.Nc1ccc5cc1.C35=O.N34 |
2994 | CC(=O)Oc1ccc(C(=O)c2ccc(OC(C)=O)cc2)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C] | c15ccc7cc1.c18ccc6cc1.CC3=O.C78=O.C4(C)=O.O35.O46 |
2996 | COc1ccc(NC(=O)c2ccccc2OC)cc1 | [C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring1][P] | c14ccc6cc1.c17ccccc15.C37=O.CO4.N36.O5C |
2997 | O=C(C(c1ccccc1)c1ccccc1)N1CCOCC1 | [O][=C][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c13ccccc1.c14ccccc1.N12CCOCC1.O=C2C34 |
2998 | COC(=O)C1C(=O)CC(C)(O)C(C(=O)OC)C1c1ccccc1 | [C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][O][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | C14C(=O)CC(C)(O)C5C16.c16ccccc1.C24=O.C35=O.CO2.O3C |
3000 | Nc1ccc2nc(SCC(=O)NCCc3ccccc3)sc2c1 | [N][C][=C][C][=C][N][=C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | Nc1ccc2nc8sc2c1.c17ccccc1.C6C4=O.C5C7.S68.N45 |
3002 | Cc1cccc(C)c1NC(=O)c1ccc(Cl)cc1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1cccc(C)c13.c14ccc(Cl)cc1.C24=O.N23 |
3004 | Cc1sc2ncn3c(=O)c4ccccc4nc3c2c1C | [C][C][S][C][N][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=Ring1][#C][C][=Ring2][Ring1][C][C] | Cc1sc2ncn3c(=O)c4ccccc4nc3c2c1C |
3005 | O=S1(=O)N=C(N2CCCCC2)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] | O=S1(=O)N=C(N2CCCCC2)c2ccccc21 |
3006 | CC(C)(C)CC(C)(C)NC1=NS(=O)(=O)c2ccccc21 | [C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | N3C1=NS(=O)(=O)c2ccccc21.CC(C)(C)CC3(C)C |
3007 | CCOc1cc(C=c2sc3n(c2=O)CCN=3)ccc1O | [C][C][O][C][=C][C][Branch1][P][C][=C][S][C][N][Branch1][Branch1][C][Ring1][Branch1][=O][C][C][N][=Ring1][#Branch1][=C][C][=C][Ring1][S][O] | c15cc(C=c2sc3n(c2=O)CCN=3)ccc1O.CC4.O45 |
3008 | COc1ccc(-c2nnc(SC)n2-c2ccccc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=N][N][=C][Branch1][Ring1][S][C][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][O][C] | c13ccc7cc14.c17nnc6n15.c15ccccc1.CO3.S6C.O4C |
3009 | O=C(Nc1nccs1)C1CC(=O)N(c2ccccc2)C1 | [O][=C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N] | C15CC(=O)N6C1.c16ccccc1.c14nccs1.O=C35.N34 |
3010 | Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][=N][=O][C][=C][Ring2][Ring1][Ring2] | Cc1ccc7cc1.N17CC6CC1=O.c15nccs1.C46=O.N45 |
3011 | C=CCN(CC=C)C(=O)c1ccc(OC(C)=O)cc1 | [C][=C][C][N][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | c17ccc4cc1.C=CC5.N356.C6C=C.C37=O.C2(C)=O.O24 |
3013 | CC(=O)Oc1ccc(C(=O)N2CCCC(C)C2)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][=C][Ring1][#C] | c15ccc6cc1.N14CCCC(C)C1.CC3=O.C46=O.O35 |
3014 | CC(=O)Oc1ccc(C(=O)N2CC(C)CC(C)C2)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring1][S] | N14CC(C)CC(C)C1.c15ccc6cc1.CC3=O.C46=O.O35 |
3016 | CC(=O)Oc1ccc(C(=O)N(Cc2ccccc2)c2ccccn2)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c15ccc8cc1.c19ccccc1.c17ccccn1.CC3=O.C48=O.N467.O35.C69 |
3017 | COc1ccccc1CNC(=O)c1ccc(NC(C)=O)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | c14ccccc18.c17ccc6cc1.C27=O.C3(C)=O.CO4.C58.N25.N36 |
3018 | CC(=O)Nc1ccc(C(=O)N2CCc3ccccc3C2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=C][Ring2][Ring1][C] | N15CCc2ccccc2C1.c16ccc7cc1.CC4=O.C57=O.N46 |
3019 | CC(=O)Nc1ccc(C(=O)NCc2ccco2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][#C] | c16ccc7cc1.c18ccco1.CC3=O.C47=O.N36.N45.C58 |
3020 | CC(=O)Oc1ccccc1C(=O)Nc1ccccc1F | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c14ccccc16.c15ccccc1F.CC2=O.C36=O.O24.N35 |
3021 | CCc1cccc(C)c1NC(=O)c1ccccc1OC(C)=O | [C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][=O] | c17cccc(C)c15.c16ccccc14.C36=O.C2(C)=O.CC7.N35.O24 |
3022 | CC(=O)Oc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][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] | c15ccccc17.N14CCN6CC1.c16ccc(F)cc1.CC3=O.C47=O.O35 |
3023 | CC(=O)Oc1ccccc1C(=O)NC(C)c1ccccc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc16.c17ccccc1.CC2=O.C36=O.C57C.O24.N35 |
3024 | CC(=O)Oc1ccccc1C(=O)Nc1ccc(F)cc1F | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c15ccc(F)cc1F.c14ccccc16.CC2=O.C36=O.O24.N35 |
3025 | CC(=O)Oc1ccccc1C(=O)NCc1ccc(C)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c14ccccc16.c17ccc(C)cc1.CC2=O.C36=O.O24.N35.C57 |
3026 | C=CCN(CC=C)C(=O)c1cc(Cl)ccc1Cl | [C][=C][C][N][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl] | c15cc(Cl)ccc1Cl.C=CC3.N234.C4C=C.C25=O |
3027 | O=C(NCc1ccccn1)c1cc(Cl)ccc1Cl | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl] | c14cc(Cl)ccc1Cl.c15ccccn1.O=C24.N23.C35 |
3028 | O=C(NCc1cccnc1)c1cc(Cl)ccc1Cl | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl] | c14cc(Cl)ccc1Cl.c15cccnc1.O=C24.N23.C35 |
3029 | CC1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 | [C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][S] | c14cc(Cl)ccc1Cl.CC1CCN3CC1.C34=O |
3030 | O=C(NCc1ccco1)c1cc(Cl)ccc1Cl | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl] | c14cc(Cl)ccc1Cl.c15ccco1.O=C24.N23.C35 |
3032 | O=C(NCC1CCCO1)c1c(Cl)cccc1Cl | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] | c14c(Cl)cccc1Cl.C15CCCO1.O=C24.N23.C35 |
3034 | O=C(NCc1ccco1)c1c(Cl)cccc1Cl | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] | c14c(Cl)cccc1Cl.c15ccco1.O=C24.N23.C35 |
3035 | CCN(CC)c1ccc(C(=O)NCc2ccccc2OC)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][C] | c18ccc9cc1.c1%10ccccc14.N568.C39=O.CC5.C6C.N37.C7%10.O4C |
3036 | CCN(CC)c1ccc(C(=O)Nc2nccs2)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C] | c17ccc8cc1.c16nccs1.N457.C38=O.CC4.C5C.N36 |
3037 | CCN(CC)c1ccc(C(=O)NCc2ccco2)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][#C] | c17ccc8cc1.c19ccco1.N457.C38=O.CC4.C5C.N36.C69 |
3038 | CCN(CC)c1ccc(C(=O)Nc2ccncc2)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][#C] | c16ccc8cc1.c17ccncc1.N456.C38=O.CC4.C5C.N37 |
3041 | COc1ccc(CNC(=O)c2cccc(N(C)C)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | c14ccc8cc1.c17cccc6c1.C37=O.N6(C)C.CO4.C58.N35 |
3042 | COc1ccccc1CNC(=O)c1cccc(N(C)C)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring1][=Branch2] | c13ccccc17.c16cccc5c1.C26=O.N5(C)C.CO3.C47.N24 |
3044 | CN(C)c1cccc(C(=O)NCCc2ccccc2)c1 | [C][N][Branch1][C][C][C][=C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P] | c15cccc6c1.c17ccccc1.CN5C.C36=O.C4C7.N34 |
3047 | COc1ccccc1CC(=O)Nc1cccc(C)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | c13ccccc15.c14cccc(C)c1.C5C2=O.CO3.N24 |
3048 | COc1ccccc1CC(=O)Nc1cc(C)ccn1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=N][Ring1][#Branch1] | c13ccccc15.c14cc(C)ccn1.C5C2=O.CO3.N24 |
3050 | CCN(CC)S(=O)(=O)c1csc(C(=O)Nc2ccccc2)c1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][S][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C] | S6(=O)(=O)c1csc8c1.c17ccccc1.N456.C38=O.CC4.C5C.N37 |
3051 | O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccco1 | [O][=C][Branch2][Ring1][O][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C][=C][C][=C][O][Ring1][Branch1] | c15ccc(S4(=O)=O)cc1.N14CCOCC1.c16ccco1.O=C36.N35 |
3052 | COc1ccc(CC(=O)Nc2nnc(C(F)(F)F)s2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | c14ccc7cc1.c15nnc6s1.C7C3=O.C6(F)(F)F.CO4.N35 |
3053 | Nc1nonc1-c1noc(-c2ccc(Br)cc2)n1 | [N][C][=N][O][N][=C][Ring1][Branch1][C][=N][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][Ring1][N] | c14ccc(Br)cc1.Nc1nonc13.c13noc4n1 |
3055 | CSc1nc2ccccc2n1CC(=O)Nc1c(C)cccc1C | [C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C] | c16nc2ccccc2n15.c14c(C)cccc1C.C5C3=O.CS6.N34 |
3056 | CSc1nc2ccccc2n1CC(=O)N1CCCCC1 | [C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | c15nc2ccccc2n14.N13CCCCC1.C4C3=O.CS5 |
3057 | Cc1ccc(C(=O)Nc2cccc(OC(C)C)c2)o1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][Ring1][#Branch2][O][Ring2][Ring1][C] | c16cccc5c1.Cc1ccc7o1.C37=O.C4(C)C.N36.O45 |
3058 | CC(Sc1ncnc2[nH]cnc12)c1ccccc1Cl | [C][C][Branch1][#C][S][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c15ncnc2[nH]cnc12.c14ccccc1Cl.CC34.S35 |
3059 | CCc1ccc(C(=O)CSc2nnnn2C)cc1 | [C][C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][=C][Ring1][S] | c15ccc4cc1.c16nnnn1C.C4(=O)C3.CC5.S36 |
3060 | CC(NC(=O)c1nc2ccccc2[nH]1)c1ccccc1 | [C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nc2ccccc2[nH]1.c16ccccc1.CC46.C35=O.N34 |
3061 | O=C(NCCc1ccccc1)c1nc2ccccc2[nH]1 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c15nc2ccccc2[nH]1.c16ccccc1.O=C35.C4C6.N34 |
3064 | Nc1nc(Nc2cccc(C(F)(F)F)c2)nc(C(F)(F)F)n1 | [N][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][Branch1] | Nc1nc3nc5n1.c14cccc6c1.C6(F)(F)F.C5(F)(F)F.N34 |
3065 | CC(=O)C1C2C3COC(O3)C(=O)C2C2C=Cc3ccccc3N21 | [C][C][=Branch1][C][=O][C][C][C][C][O][C][Branch1][Ring2][O][Ring1][Branch1][C][=Branch1][C][=O][C][Ring1][=Branch2][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][Ring2][Ring1][Ring2] | C14C2C3COC(O3)C(=O)C2C2C=Cc3ccccc3N12.CC4=O |
3066 | Nc1cc(N)nc(SCC(=O)Nc2ccc(Cl)cc2)n1 | [N][C][=C][C][Branch1][C][N][=N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring1] | Nc1cc(N)nc6n1.c15ccc(Cl)cc1.C4C3=O.S46.N35 |
3067 | Nc1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 | [N][C][N][=C][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][#C][N][=Ring2][Ring1][C] | Nc1nc2nc5cc4n2n1.c15ccco1.C4(F)(F)F |
3068 | Cc1cc(-c2ccccc2)nc2cc(C(=O)NCC3CCCO3)nn12 | [C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=N][N][Ring2][Ring1][Branch2][Ring1][=C] | Cc1cc8nc2cc6nn12.c18ccccc1.C17CCCO1.C46=O.N45.C57 |
3069 | N#Cc1sc2nc(-c3ccncc3)ccc2c1N | [N][#C][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][C][=Ring1][#C][N] | N#Cc1sc2nc4ccc2c1N.c14ccncc1 |
3071 | CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1ccccc1F | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][O][C][C][=C][Branch1][C][C][O][C][=Branch1][C][=O][C][=Ring1][Branch2][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | C3(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1ccccc1F.CC4.O34 |
3072 | CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1cccs1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][O][C][C][=C][Branch1][C][C][O][C][=Branch1][C][=O][C][=Ring1][Branch2][C][Ring1][=N][C][=C][C][=C][S][Ring1][Branch1] | C3(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1cccs1.CC4.O34 |
3073 | N#Cc1sc2nc(-c3cccs3)ccc2c1N | [N][#C][C][S][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][O][C][=Ring1][=C][N] | N#Cc1sc2nc4ccc2c1N.c14cccs1 |
3074 | NC(=O)c1sc2nc(-c3cccs3)ccc2c1N | [N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][O][C][=Ring1][=C][N] | c14sc2nc5ccc2c1N.c15cccs1.NC4=O |
3075 | Cc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c14ccc2c(c1)OCO2.Cc1ccccc15.C35=O.N34 |
3077 | COc1cccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Branch1][C][N][=O][=C][Ring2][Ring1][Ring1] | c15sc(C)c(C)c17.c14cccc6c1.C36=O.C7(N)=O.CO4.N35 |
3080 | Cc1csc(NC(=O)c2ccc(Cl)cc2Cl)n1 | [C][C][=C][S][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][Ring1][S] | c15ccc(Cl)cc1Cl.Cc1csc4n1.C35=O.N34 |
3081 | COc1ccccc1C(=O)Nc1sc(C)c(C)c1C#N | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][#N] | c14sc(C)c(C)c1C#N.c13ccccc15.C25=O.CO3.N24 |
3084 | Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc2c(c1)OCO2 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c14ccc2c(c1)OCO2.Cc1onc6c15.c16ccccc1.C35=O.N34 |
3085 | On1c(-c2ccccc2)nc2c1CCc1nonc1-2 | [O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][O][C][C][C][=N][O][N][=C][Ring1][Branch1][Ring1][=Branch2] | On1c3nc2c1CCc1nonc1-2.c13ccccc1 |
3086 | CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)C(C)(C)C | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C] | c17cnn8c16.c18ccccc1.C4(=O)C(C)(C)C.C37=O.CC5.O35.N46 |
3087 | CN(C)C(=O)c1c(NC(=O)c2cccnc2)sc2c1CCCCC2 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][=C][Ring1][=C][C][C][C][C][C][Ring1][#Branch1] | c16c5sc2c1CCCCC2.c17cccnc1.CN3C.C36=O.C47=O.N45 |
3088 | Cc1cccc(-n2c(C)nc3sc4c(c3c2=O)CCC4)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][Branch1][C][C][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][#Branch2][=O][C][C][C][Ring1][Branch2][=C][Ring2][Ring1][Ring2] | n15c(C)nc2sc3c(c2c1=O)CCC3.Cc1cccc5c1 |
3089 | Cc1ccccc1-n1c(C)nc2sc3c(c2c1=O)CCC3 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][#Branch2][=O][C][C][C][Ring1][Branch2] | n14c(C)nc2sc3c(c2c1=O)CCC3.Cc1ccccc14 |
3090 | NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1 | [N][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cnn7c14.c17ccccc1.c16ccccc1.NC5=O.C36=O.N34 |
3091 | CCC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCC(C)C2 | [C][C][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][Branch1][C][C][C][Ring1][S] | c15sc2c(c16)CCC(C)C2.N14CCOCC1.CCC3=O.C46=O.N35 |
3092 | COc1ccc(-n2c(C)nc3sc4c(c3c2=O)CCC4)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][Branch1][C][C][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][#Branch2][=O][C][C][C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] | n16c(C)nc2sc3c(c2c1=O)CCC3.c15ccc6cc1.CO5 |
3094 | COC(=O)CSc1nc(-c2cccs2)ccc1C#N | [C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][O][C][#N] | c15nc6ccc1C#N.c16cccs1.C3(=O)C4.CO3.S45 |
3096 | N#Cc1c(-c2ccc3c(c2)OCO3)c(C#N)c(=O)n(N)c1N | [N][#C][C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][Branch1][C][N][C][=Ring2][Ring1][Ring1][N] | N#Cc1c4c(C#N)c(=O)n(N)c1N.c14ccc2c(c1)OCO2 |
3097 | CCOC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][S] | S5(=O)(=O)c1ccc(Cl)cc1.C16CCN5CC1.C36=O.CC4.O34 |
3098 | CC(=O)Nc1c(C(=O)c2ccccc2)oc2ccccc12 | [C][C][=Branch1][C][=O][N][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1] | c14c5oc2ccccc12.c16ccccc1.CC3=O.C56=O.N34 |
3099 | COC(=O)C1=C(C)NC(=O)NC1c1ccc(OC)cc1OC | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C] | C2(=O)C1=C(C)NC(=O)NC15.c15ccc3cc14.CO2.O3C.O4C |
3100 | CCOC(=O)C1=C(C)NC(=O)NC1c1cccc(OC)c1 | [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][C][Branch1][Ring1][O][C][=C][Ring1][Branch2] | C2(=O)C1=C(C)NC(=O)NC15.c15cccc4c1.CC3.O23.O4C |
3101 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1OCC | [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][C][=C][Ring1][=Branch1][O][C][C] | C2(=O)C1=C(C)NC(=O)NC16.c16ccccc15.CC3.O23.O45.C4C |
3102 | O=C(Nc1cccnc1)c1cc(F)c(F)cc1Cl | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Cl] | c14cc(F)c(F)cc1Cl.c13cccnc1.O=C24.N23 |
3103 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OCC)cc1 | [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][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2] | C2(=O)C1=C(C)NC(=O)NC16.c16ccc5cc1.CC3.O23.O45.C4C |
3104 | CC1=C(C(=O)OC2CCCC2)C(c2ccc3c(c2)OCO3)NC(=O)N1 | [C][C][=C][Branch1][=N][C][=Branch1][C][=O][O][C][C][C][C][C][Ring1][Branch1][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2] | CC1=C(C4=O)C6NC(=O)N1.c16ccc2c(c1)OCO2.C15CCCC1.O45 |
3106 | CCOC(=O)CCN1C(=O)c2ccccc2S1(=O)=O | [C][C][O][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O] | N15C(=O)c2ccccc2S1(=O)=O.C3(=O)CC5.CC4.O34 |
3107 | COc1ccc2c(c1OC)C(=O)OC2OC(C)=O | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][O][C][Branch1][C][C][=O] | c14ccc2c(c15)C(=O)OC2O3.C3(C)=O.CO4.O5C |
3108 | CC(C)(C)C(=O)CN1C(=O)C2(OCCO2)c2ccccc21 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][O][C][C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] | CC(C)(C)C(=O)CN1C(=O)C2(OCCO2)c2ccccc21 |
3109 | C=C(C)CN1C(=O)C2(OCCO2)c2cc(Br)ccc21 | [C][=C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][O][C][C][O][Ring1][Branch1][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][#C] | C=C(C)CN1C(=O)C2(OCCO2)c2cc(Br)ccc21 |
3110 | O=C(CCN1C(=O)C2(OCCO2)c2ccccc21)c1ccccc1 | [O][=C][Branch2][Ring1][O][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][O][C][C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C3CCN1C(=O)C2(OCCO2)c2ccccc21.c13ccccc1 |
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