ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
8384 | Cc1ccc(OCC(=O)NCCc2nc3ccccc3[nH]2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch1][C] | c18nc2ccccc2[nH]1.Cc1ccc6cc1C.C5C4=O.C7C8.O56.N47 |
8385 | O=c1[nH]c2cc(C(F)(F)F)ccc2n(Cc2ccccc2)c1=O | [O][=C][NH1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O] | O=c1[nH]c2cc4ccc2n3c1=O.c15ccccc1.C4(F)(F)F.C35 |
8386 | O=C(CSc1nnc(-c2ccco2)o1)NCC(=O)c1ccccc1 | [O][=C][Branch2][Ring1][Ring1][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][N][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17nnc8o1.c16ccccc1.c18ccco1.O=C3C5.C4C6=O.S57.N34 |
8387 | CCOc1ccccc1C(=O)NCc1ccccc1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc16.c17ccccc1.C26=O.CC3.O34.N25.C57 |
8388 | CN1C(=O)C(O)(C2CC(C(C)(C)C)CCC2=O)c2ccccc21 | [C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch2][Ring1][Ring2][C][C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][#Branch2][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | CN1C(=O)C(O)(C2CC3CCC2=O)c2ccccc21.C3(C)(C)C |
8391 | CN1C(=O)C(O)(C2CCc3ccccc3C2=O)c2ccccc21 | [C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][S][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | CN1C(=O)C(O)(C2CCc3ccccc3C2=O)c2ccccc21 |
8393 | CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2Cl)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][S] | CS(=O)(=O)c1ccc5cc1.c14ccccc1Cl.C35=O.N34 |
8395 | Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2cc(C)on2)n1 | [C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][=N][Ring2][Ring1][Branch1] | Cc1cc6nc7n1.c15cc(C)on1.C6(F)(F)F.C4C3=O.S47.N35 |
8396 | O=C(c1ccc(C(=O)N2CCOCC2)s1)N1CCOCC1 | [O][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][Ring1][=N][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc6s1.N14CCOCC1.N13CCOCC1.O=C35.C46=O |
8397 | Cc1ccccc1Cn1c(C(C)O)nc2ccccc21 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][Branch1][=Branch1][C][Branch1][C][C][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N] | n13c4nc2ccccc21.Cc1ccccc15.C4(C)O.C35 |
8398 | Cc1cccc(C(=O)NCCc2nc3ccccc3[nH]2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][Ring2][Ring1][Ring2] | c17nc2ccccc2[nH]1.Cc1cccc6c1.C46=O.C5C7.N45 |
8400 | O=C(Nc1ccc(Cl)cc1)C1CC(=O)N(Cc2ccccc2)C1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N] | c14ccc(Cl)cc1.C15CC(=O)N6C1.c17ccccc1.O=C35.N34.C67 |
8401 | O=C(NCCc1nc2ccccc2[nH]1)c1cccc(Cl)c1 | [O][=C][Branch1][P][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c16nc2ccccc2[nH]1.c15cccc(Cl)c1.O=C35.C4C6.N34 |
8402 | COC(=O)c1cccc(NC(=O)c2ccc(OC)c(OC)c2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] | c19ccc5c6c1.c18cccc7c1.C38=O.C49=O.CO3.N47.O5C.O6C |
8403 | CC(=O)OCC(=O)c1ccc(Br)cc1 | [C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccc(Br)cc1.C3C4=O.CC2=O.O23 |
8404 | CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C] | c13cc4cc5c1.C4(F)(F)F.C5(F)(F)F.CC2=O.N23 |
8405 | CC(=O)Nc1ccc(Br)cc1OC(F)(F)F | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][O][C][Branch1][C][F][Branch1][C][F][F] | c14ccc(Br)cc13.O3C(F)(F)F.CC2=O.N24 |
8406 | Cc1ccc(C(=O)COC(=O)c2ccc(-n3cnnn3)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc6cc1.c17ccc8cc1.n18cnnn1.C6(=O)C5.C47=O.O45 |
8407 | CC(=O)Nc1cc(Cl)c(Cl)cc1NC(C)=O | [C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][N][C][Branch1][C][C][=O] | c14cc(Cl)c(Cl)cc15.CC2=O.C3(C)=O.N24.N35 |
8408 | CS(=O)(=O)Nc1ccccc1NS(C)(=O)=O | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][Branch1][C][C][=Branch1][C][=O][=O] | c14ccccc15.CS2(=O)=O.S3(C)(=O)=O.N24.N35 |
8409 | CC(=O)Nc1ccc(Cl)cc1OC(F)(F)F | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][Branch1][C][F][Branch1][C][F][F] | c14ccc(Cl)cc13.O3C(F)(F)F.CC2=O.N24 |
8410 | COC(=O)c1ccc(OC)c(OC2CCCC2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][=Branch2][O][C][C][C][C][C][Ring1][Branch1][=C][Ring1][=C] | c17ccc5c6c1.C14CCCC1.C37=O.CO3.O5C.O46 |
8412 | COc1ccc(S(=O)(=O)N2CCOCC2)c2ccccc12 | [C][O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | c13ccc(S4(=O)=O)c2ccccc12.N14CCOCC1.CO3 |
8413 | Cc1ccc(C(=O)CSc2nnc(C)s2)cc1 | [C][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Ring1][S] | Cc1ccc4cc1.c15nnc(C)s1.C4(=O)C3.S35 |
8414 | Cn1cnnc1SCC(=O)Nc1ccc(C(C)(C)C)cc1 | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2] | c14ccc5cc1.Cn1cnnc16.C3C2=O.C5(C)(C)C.S36.N24 |
8415 | CCCC(=O)c1ccc(N2CCOCC2)c(F)c1 | [C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][=N] | c14ccc3c(F)c1.N13CCOCC1.CCCC4=O |
8416 | Cn1ccnc1SCC(=O)Nc1ccc(C(C)(C)C)cc1 | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2] | c14ccc5cc1.Cn1ccnc16.C3C2=O.C5(C)(C)C.S36.N24 |
8418 | O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc[nH]n1 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][C][=C][NH1][N][=Ring1][Branch1] | c14ccc3cc1.O3C(F)(F)F.c15cc[nH]n1.O=C25.N24 |
8419 | CCOc1ccccc1-c1nc(-c2nonc2N)no1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][=N][O][N][=C][Ring1][Branch1][N][=N][O][Ring1][O] | c14ccccc16.c16nc5no1.c15nonc1N.CC3.O34 |
8420 | O=C(c1ccccc1)c1conc1C(=O)c1cccs1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][O][N][=C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | c14ccccc1.c15conc12.c13cccs1.O=C45.C23=O |
8421 | CC(=O)c1ccc(NC(=O)COc2ccc(Cl)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][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c17ccc6cc1.c15ccc(Cl)cc1.C3(=O)C4.CC7=O.N36.O45 |
8422 | CC(=O)c1ccc(NC(=O)COc2ccc(C)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][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c17ccc6cc1.c15ccc(C)cc1.C3(=O)C4.CC7=O.N36.O45 |
8423 | COc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][O][C] | c14ccc7cc15.c16ccc8cc1.C37=O.C8(C)=O.CO4.N36.O5C |
8424 | O=C(c1cccs1)c1conc1C(=O)c1cccs1 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=C][O][N][=C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | c15conc13.c12cccs1.c14cccs1.O=C25.C34=O |
8425 | COC(=O)C(CC(=O)c1cccs1)c1ccccc1 | [C][O][C][=Branch1][C][=O][C][Branch1][=N][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | C2(=O)C4CC3=O.c14ccccc1.c13cccs1.CO2 |
8426 | CN(C)C(=O)Nc1ccc(OCc2ccccc2)cc1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] | c17ccc6cc1.c18ccccc1.CN3C.C34=O.N47.O56.C58 |
8427 | Nc1nonc1-c1noc(C23CC4CC(CC(C4)C2)C3)n1 | [N][C][=N][O][N][=C][Ring1][Branch1][C][=N][O][C][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][=N][Ring1][#C] | C126CC3CC(CC(C3)C1)C2.Nc1nonc15.c15noc6n1 |
8428 | Cc1ccc(NC(=O)c2nnn(Cc3ccccc3)c2N)cc1C | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][N][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][N][C][=C][Ring2][Ring1][=Branch1][C] | Cc1ccc5cc1C.c16nnn7c1N.c18ccccc1.C46=O.N45.C78 |
8429 | Nc1c(C(=O)NCCc2ccccc2)nnn1Cc1ccccc1 | [N][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][N][Ring1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Nc1c5nnn16.c17ccccc1.c18ccccc1.C35=O.C4C7.N34.C68 |
8430 | Nc1nonc1-c1noc(-c2ccc(Cl)cc2Cl)n1 | [N][C][=N][O][N][=C][Ring1][Branch1][C][=N][O][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][Ring1][=N] | c14ccc(Cl)cc1Cl.Nc1nonc13.c13noc4n1 |
8431 | Nc1nonc1-c1noc(-c2ccccc2Cl)n1 | [N][C][=N][O][N][=C][Ring1][Branch1][C][=N][O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring1][N] | c14ccccc1Cl.Nc1nonc13.c13noc4n1 |
8432 | CC(C)(CO)NC(=O)COc1ccc(Cl)cc1Cl | [C][C][Branch1][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c14ccc(Cl)cc1Cl.CC5(C)CO.C2(=O)C3.N25.O34 |
8433 | COc1ccc(-c2nc(-c3nonc3N)no2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=N][O][N][=C][Ring1][Branch1][N][=N][O][Ring1][O][C][=C][Ring1][P] | c14ccc6cc1.c16nc5no1.c15nonc1N.CO4 |
8435 | O=C(Nc1ccccn1)C(O)(c1ccccc1)c1ccccc1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C2C45O.c13ccccn1.c14ccccc1.c15ccccc1.N23 |
8436 | Cn1cncc1CC1COC(=O)C1C(O)c1ccccc1 | [C][N][C][=N][C][=C][Ring1][Branch1][C][C][C][O][C][=Branch1][C][=O][C][Ring1][=Branch1][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C13COC(=O)C14.Cn1cncc12.c15ccccc1.C45O.C23 |
8437 | COc1ccc(C=C2OC(=O)c3c2cc(C)[nH]c3=O)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][O][C][=Branch1][C][=O][C][=C][Ring1][=Branch1][C][=C][Branch1][C][C][NH1][C][Ring1][#Branch1][=O][C][=C][Ring2][Ring1][Ring1][O][C] | C1=6OC(=O)c2c1cc(C)[nH]c2=O.c14ccc(C=6)cc15.CO4.O5C |
8439 | Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc2ccccc2n1 | [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][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2] | c14ccc2ccccc2n1.Cc1onc6c15.c16ccccc1.C35=O.N34 |
8440 | CCC(C)NC(=O)C1CC(=O)N(c2ccc(C(C)C)cc2)C1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][Ring1][#C] | C15CC(=O)N7C1.c17ccc6cc1.CCC4C.C35=O.C6(C)C.N34 |
8441 | CCOC(=O)CS(=O)(=O)c1ccc(C(F)(F)F)cn1 | [C][C][O][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2] | C2(=O)CS(=O)(=O)c1ccc4cn1.C4(F)(F)F.CC3.O23 |
8442 | Cn1c(=O)c2c(ncn2Cc2ccccc2C#N)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch1][P][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O] | Cn1c(=O)c2c(ncn23)n(C)c1=O.c14ccccc1C#N.C34 |
8443 | Cc1ccc(NC(=O)CSc2nccn2C)cc1C | [C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][N][Ring1][Branch1][C][C][=C][Ring1][P][C] | Cc1ccc5cc1C.c16nccn1C.C3(=O)C4.N35.S46 |
8444 | O=C(C1CCCCC1)N1CCN(c2nc3ccccc3o2)CC1 | [O][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][C][Ring1][#C] | c15nc2ccccc2o1.N14CCN5CC1.C16CCCCC1.O=C46 |
8445 | Cc1[nH]c(=O)c(C#N)c(C)c1CSc1ncccn1 | [C][C][NH1][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][Branch1][C][C][C][=Ring1][#Branch2][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1] | Cc1[nH]c(=O)c(C#N)c(C)c13.c14ncccn1.C23.S24 |
8446 | CS(=O)(=O)N1CCc2cc(Br)ccc21 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2] | N13CCc2cc(Br)ccc21.CS3(=O)=O |
8447 | O=C(Cn1nc2n(c1=O)-c1ccccc1SC2)c1cccs1 | [O][=C][Branch2][Ring1][Branch2][C][N][N][=C][N][Branch1][Branch1][C][Ring1][Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][N][C][=C][C][=C][S][Ring1][Branch1] | n14nc2n(c1=O)-c1ccccc1SC2.c13cccs1.O=C3C4 |
8448 | O=S(=O)(c1ccc(F)cc1)N1CCCC1c1cccnc1 | [O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | O=S2(=O)c1ccc(F)cc1.N12CCCC13.c13cccnc1 |
8449 | COc1ccc(CNC(=O)c2cncc(Br)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][Ring1][P] | c14ccc7cc1.c16cncc(Br)c1.C36=O.CO4.C57.N35 |
8450 | O=C(NC1CCCCCC1)c1cncc(Br)c1 | [O][=C][Branch1][O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | C13CCCCCC1.c14cncc(Br)c1.O=C24.N23 |
8451 | O=S(=O)(Cc1cccc(C(F)(F)F)c1)NCc1cccs1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1] | c15cccc6c1.O=S3(=O)C5.c14cccs1.C6(F)(F)F.N23.C24 |
8452 | O=C(Nc1ccccc1F)N1CCCC1c1cccnc1 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14ccccc1F.N13CCCC15.c15cccnc1.O=C23.N24 |
8454 | Cc1cccc(NC(=O)N2CCCC2c2cccnc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | Cc1cccc5c1.N14CCCC16.c16cccnc1.C34=O.N35 |
8456 | Cc1noc(-c2ccccc2)c1NC(=O)NCc1cccs1 | [C][C][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][O][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1] | Cc1noc8c16.c18ccccc1.c17cccs1.C34=O.N36.N45.C57 |
8458 | O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCOCC1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1] | c13cccc4c1.N12CCOCC1.O=S2(=O)C3.C4(F)(F)F |
8459 | Nn1c(COc2cccc(Cl)c2)nc2ccccc2c1=O | [N][N][C][Branch1][=C][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=O] | Nn1c5nc2ccccc2c1=O.c14cccc(Cl)c1.C35.O34 |
8460 | O=S(=O)(c1ccccc1)N1CC=C(c2ccccc2)CC1 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | N13CC=C(c2ccccc2)CC1.O=S3(=O)c1ccccc1 |
8461 | Cc1cccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][=Branch2][=N][Ring2][Ring1][Ring2] | c15cc(C)c(Cl)c(C)c1.Cc1cccc6n1.C3(=O)C4.N36.O45 |
8462 | COc1cc(C2CC(=O)Nc3cc(C)c(C)cc32)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][Ring1][=N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C] | c14cc(C2CC(=O)Nc3cc(C)c(C)cc32)cc5c16.CO4.O5C.O6C |
8463 | COc1ccc(C2CC(=O)Nc3cc(C)c(C)cc32)c(OC)c1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][Ring1][=N][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C] | c14ccc(C2CC(=O)Nc3cc(C)c(C)cc32)c5c16.CO4.O5C.O6C |
8464 | Cn1c(=O)c2nc3c(nc2n(C)c1=O)[nH]c1ccccc13 | [C][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][=N][N][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][N][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C] | Cn1c(=O)c2nc3c(nc2n(C)c1=O)[nH]c1ccccc13 |
8465 | O=C(Nc1ccccc1C(F)(F)F)N1CCCC1c1cccnc1 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14ccccc15.N13CCCC16.c16cccnc1.C5(F)(F)F.O=C23.N24 |
8466 | O=S(=O)(c1ccccc1F)N1CC=C(c2ccccc2)CC1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | N13CC=C(c2ccccc2)CC1.O=S3(=O)c1ccccc1F |
8467 | O=S(=O)(Cc1ccc(Cl)cc1)NCc1cccs1 | [O][=S][=Branch1][C][=O][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][S][Ring1][Branch1] | c15ccc(Cl)cc1.O=S3(=O)C5.c14cccs1.N23.C24 |
8468 | N#Cc1nc(-c2ccccc2)oc1N1CCCCC1 | [N][#C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][N][C][C][C][C][C][Ring1][=Branch1] | N#Cc1nc4oc13.c14ccccc1.N13CCCCC1 |
8469 | COC(=O)c1cccc(NC(=O)c2ccncc2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][#C] | c16cccc5c1.c17ccncc1.C36=O.C47=O.CO3.N45 |
8470 | O=C(NCc1cccnc1)c1cnc2ccccc2n1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2] | c15cnc2ccccc2n1.c16cccnc1.O=C35.N34.C46 |
8471 | NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 | [N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Branch1][C][=O][O][C][Ring1][=N][=C][Ring1][P] | c15ccc2c6cc(=O)oc2c1.c16ccccc1.NC(=O)C4.O45 |
8472 | O=S(=O)(c1cccs1)N1CC=C(c2ccccc2)CC1 | [O][=S][=Branch1][C][=O][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | N13CC=C(c2ccccc2)CC1.O=S3(=O)c1cccs1 |
8473 | O=S(=O)(Cc1ccc(Cl)cc1)N1CCCCCC1 | [O][=S][=Branch1][C][=O][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][C][C][C][C][Ring1][#Branch1] | c13ccc(Cl)cc1.N12CCCCCC1.O=S2(=O)C3 |
8474 | O=S(=O)(Cc1ccc(Cl)cc1)N1CCc2ccccc2C1 | [O][=S][=Branch1][C][=O][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.c14ccc(Cl)cc1.O=S3(=O)C4 |
8475 | CC1(C)Cc2cccc(C(=O)Nc3ccncc3)c2O1 | [C][C][Branch1][C][C][C][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][#C][O][Ring2][Ring1][Ring1] | CC1(C)Cc2cccc6c2O1.c15ccncc1.C46=O.N45 |
8476 | O=S(=O)(c1ccc(F)cc1)N1CC=C(c2ccccc2)CC1 | [O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | N13CC=C(c2ccccc2)CC1.O=S3(=O)c1ccc(F)cc1 |
8477 | O=C(c1ccc2occc2c1)N1CC=C(c2ccccc2)CC1 | [O][=C][Branch1][=C][C][=C][C][=C][O][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | N13CC=C(c2ccccc2)CC1.c14ccc2occc2c1.O=C34 |
8478 | O=S(=O)(c1ccc2c(c1)CCO2)N1CC=C(c2ccccc2)CC1 | [O][=S][=Branch1][C][=O][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | O=S3(=O)c1ccc2c(c1)CCO2.N13CC=C(c2ccccc2)CC1 |
8479 | CSc1c(-c2ccccn2)c(N)nn1C(=O)C1CC1 | [C][S][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][N][=N][N][Ring1][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1] | c14c5c(N)nn1C3=O.c15ccccn1.C13CC1.CS4 |
8480 | CSc1c(-c2ccccn2)c(N)nn1C(=O)c1cccs1 | [C][S][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][N][=N][N][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | c14c5c(N)nn1C3=O.c15ccccn1.c13cccs1.CS4 |
8481 | O=C(NCc1cccnc1)c1cccc2c1OCCCO2 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][#Branch1] | c15cccc2c1OCCCO2.c16cccnc1.O=C35.N34.C46 |
8482 | O=S(=O)(c1ccccc1)N1CCCCC1c1cccnc1 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | O=S2(=O)c1ccccc1.N12CCCCC13.c13cccnc1 |
8483 | Cc1ccccc1OCC(=O)NC(C)c1ccccc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1ccccc14.c16ccccc1.C3C2=O.C56C.O34.N25 |
8484 | Cc1ccccc1OCC(=O)NCc1ccccc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1ccccc14.c16ccccc1.C3C2=O.O34.N25.C56 |
8485 | CC1(C)Cc2cccc(C(=O)Nc3cccnc3)c2O1 | [C][C][Branch1][C][C][C][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][#C][O][Ring2][Ring1][Ring1] | CC1(C)Cc2cccc6c2O1.c15cccnc1.C46=O.N45 |
8486 | Cc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c17nc2ccccc2[nH]1.Cc1ccccc15.C4C3=O.C6C7.O45.N36 |
8489 | O=S(=O)(c1ccccc1)N(Cc1ccccn1)Cc1ccccn1 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | O=S4(=O)c1ccccc1.c15ccccn1.c16ccccn1.N234.C25.C36 |
8490 | CCN(CC)c1nc2ccccc2c(=O)n1-c1ccccc1 | [C][C][N][Branch1][Ring1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nc2ccccc2c(=O)n16.c16ccccc1.N345.CC3.C4C |
8491 | CCCN(CCC)C(=O)c1ccccc1NC(=O)c1cccnc1 | [C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] | c17ccccc16.c18cccnc1.CCC4.N245.C5CC.C27=O.C38=O.N36 |
8492 | O=C(Nc1ccccc1C(=O)N1CCOCC1)c1cccnc1 | [O][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14ccccc16.N13CCOCC1.c15cccnc1.O=C25.C36=O.N24 |
8493 | NC(=O)c1ccc(NC(=O)c2cccc3c2OCCCO3)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | c17cccc2c1OCCCO2.c16ccc5cc1.NC6=O.C47=O.N45 |
8494 | O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccnc1 | [O][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14ccccc16.N13CCCCC1.c15cccnc1.O=C25.C36=O.N24 |
8496 | COc1ccc(Cc2cnc(NC(=O)c3ccco3)s2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][=C][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][S][Ring1][=N][C][=C][Ring2][Ring1][Ring2] | c15ccc9cc1.c18cnc6s1.c17ccco1.C47=O.CO5.C89.N46 |
8504 | CCN(CC)C(=O)c1ccccc1NC(=O)c1ccccc1F | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c17ccccc16.c18ccccc1F.N245.C27=O.C38=O.CC4.C5C.N36 |
8505 | O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccccc1F | [O][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c14ccccc16.c15ccccc1F.N13CCOCC1.O=C25.C36=O.N24 |
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