ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
22545 | CCOC(=O)c1c(NC(C)=O)sc2c(Cl)c(CO)ccc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][S][C][=C][Branch1][C][Cl][C][Branch1][Ring1][C][O][=C][C][=C][Ring1][S][Ring1][=Branch2] | c17c6sc2c(Cl)c8ccc12.C37=O.C4(C)=O.CC5.O35.N46.C8O |
22546 | CC(C)COC(=O)c1nnsc1NC(=O)Nc1ccccc1 | [C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][N][=N][S][C][=Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c18nnsc16.c17ccccc1.CC(C)C5.C28=O.C34=O.O25.N36.N47 |
22547 | CC(=O)NC(Nc1ccc(C)cc1)C(Cl)(Cl)Cl | [C][C][=Branch1][C][=O][N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][C][Cl][Branch1][C][Cl][Cl] | c15ccc(C)cc1.C34C(Cl)(Cl)Cl.CC2=O.N23.N45 |
22548 | O=C(NC(O)C(Cl)(Cl)Cl)c1ccc(Br)cc1 | [O][=C][Branch1][=C][N][C][Branch1][C][O][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccc(Br)cc1.C3(O)C(Cl)(Cl)Cl.O=C24.N23 |
22551 | Cc1ccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1C | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][=Branch1][C] | Cc1ccc7cc1C.c18ccccc1.C3(=O)C4.S6(C)(=O)=O.N456.N37.C58 |
22552 | Cc1cc(C)cc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][#Branch1] | Cc1cc7cc(C)c1.c18ccccc1.C3(=O)C4.S6(C)(=O)=O.N456.N37.C58 |
22553 | CS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)Cc1ccccc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16cccc(F)c1.c17ccccc1.CS5(=O)=O.C3C2=O.N345.N26.C47 |
22555 | Cc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1N | [C][C][=N][N][=C][Branch2][Ring1][=Branch2][S][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][N][Ring2][Ring1][Branch1][N] | Cc1nnc7n1N.N14CCN6CC1.c16ccccc1.C5C4=O.S57 |
22556 | NS(=O)(=O)c1ccc(Oc2ccc(S(N)(=O)=O)cc2)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][Ring1][P] | NS(=O)(=O)c1ccc3cc1.c14ccc(S(N)(=O)=O)cc1.O34 |
22557 | O=C(Nc1ccccn1)c1ccc(Br)cc1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccc(Br)cc1.c13ccccn1.O=C24.N23 |
22558 | Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)NC2CC2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | Cc1cc(C)c(S5(=O)=O)c(C)c1.C4C3=O.N45C.C16CC1.N36 |
22559 | CC(=O)c1cccc(NC(=O)COC(=O)c2ccccc2Cl)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring2][Ring1][Ring2] | c17cccc6c1.c18ccccc1Cl.C4(=O)C5.CC7=O.C38=O.N46.O35 |
22560 | COc1cccc(C(=O)OCC(=O)Nc2cccc(SC)c2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][S][C][=C][Ring1][Branch2][=C][Ring2][Ring1][Branch1] | c16cccc8c1.c17cccc9c1.C5C4=O.C38=O.CO6.O35.N47.S9C |
22561 | CC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2Cl)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][Ring2] | c17ccc6cc1.c18ccccc1Cl.C4(=O)C5.CC7=O.C38=O.N46.O35 |
22564 | Cn1c(CCc2ccccc2)nnc1SCC(=O)N1CCOCC1 | [C][N][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][=N][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | Cn1c5nnc17.c16ccccc1.N13CCOCC1.C4C3=O.C5C6.S47 |
22566 | CC(=O)N1CCN(c2ccc(C(=O)c3ccccc3)cc2F)CC1 | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][F][C][C][Ring2][Ring1][Branch1] | c15ccc6cc1F.N14CCN5CC1.c17ccccc1.CC4=O.C67=O |
22567 | CS(=O)(=O)N(Cc1ccccc1F)c1ccccc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc1F.c14ccccc1.CS3(=O)=O.N234.C25 |
22568 | Cc1ccccc1N(Cc1ccc(F)cc1)S(C)(=O)=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1ccccc14.c15ccc(F)cc1.S3(C)(=O)=O.N234.C25 |
22569 | Cc1ccccc1N(Cc1ccccc1F)S(C)(=O)=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1ccccc14.c15ccccc1F.S3(C)(=O)=O.N234.C25 |
22570 | CC(C(=O)N1CCCCC1)N1c2cccc3cccc(c23)S1(=O)=O | [C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][S][Ring1][N][=Branch1][C][=O][=O] | N15c2cccc3cccc(c23)S1(=O)=O.N14CCCCC1.CC5C4=O |
22571 | CN(C)S(=O)(=O)N(CC(N)=O)c1ccccc1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | CN(C)S(=O)(=O)N23.c13ccccc1.C2C(N)=O |
22574 | COc1ccc(C)cc1S(=O)(=O)N(CC(N)=O)c1ccccc1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c12ccc(C)cc1S4(=O)=O.c15ccccc1.C3C(N)=O.N345.CO2 |
22575 | COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)NC2CC2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][Ring2] | c14ccc5c(S7(=O)=O)c1.C6C3=O.N67C.C18CC1.CO4.O5C.N38 |
22576 | N#Cc1cc2c(nc1SCC(=O)Nc1ccccc1F)CCC2 | [N][#C][C][=C][C][=C][Branch2][Ring1][Branch1][N][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][C][Ring2][Ring1][Ring1] | N#Cc1cc2c(nc16)CCC2.c15ccccc1F.C4C3=O.S46.N35 |
22577 | Cc1csc(NS(=O)(=O)c2cccc(Cl)c2)n1 | [C][C][=C][S][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][Ring1][S] | S3(=O)(=O)c1cccc(Cl)c1.Cc1csc4n1.N34 |
22579 | CC(=O)Nc1nnc(COc2ccc(C)cc2)s1 | [C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][Ring1][=C] | c15ccc(C)cc1.c16nnc7s1.CC3=O.N36.C47.O45 |
22580 | O=C(Cc1ccccc1)Nc1nnc(-c2cccs2)s1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][S][Ring1][#Branch2] | c15ccccc1.c14nnc6s1.c16cccs1.O=C3C5.N34 |
22581 | CC(C)C(=O)Nc1nnc(Cc2cccs2)s1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][S][Ring1][O] | c14nnc5s1.CC(C)C3=O.c16cccs1.N34.C56 |
22583 | CCSc1nn2c(=O)c3ccccc3nc2s1 | [C][C][S][C][=N][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][S][Ring1][=C] | c15nn2c(=O)c3ccccc3nc2s1.CC4.S45 |
22584 | O=c1c2ccccc2nc2sc(SCc3ccncc3)nn12 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][S][C][Branch1][O][S][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][Ring2][Ring1][Branch1][Ring1][=N] | O=c1c2ccccc2nc2sc6nn12.c15ccncc1.S46.C45 |
22585 | CCOC(=O)c1cnc2sc3cc(C)ccc3n2c1=O | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][S][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][Ring1][=C][=O] | c16cnc2sc3cc(C)ccc3n2c1=O.C46=O.CC5.O45 |
22586 | C=CCc1c(O)c(Cl)cc2c(C)cc(=O)oc12 | [C][=C][C][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][=C][=Ring1][Branch2] | c13c(O)c(Cl)cc2c(C)cc(=O)oc12.C=CC3 |
22587 | Cc1c(Br)c(=O)oc2c(C)c(O)ccc12 | [C][C][=C][Branch1][C][Br][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][Branch1][C][O][=C][C][=C][Ring1][=C][Ring1][Branch2] | Cc1c(Br)c(=O)oc2c(C)c(O)ccc12 |
22588 | Cc1c(Br)c(=O)oc2cc(O)c(Cl)cc12 | [C][C][=C][Branch1][C][Br][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][O][=C][Branch1][C][Cl][C][=C][Ring1][=C][Ring1][Branch2] | Cc1c(Br)c(=O)oc2cc(O)c(Cl)cc12 |
22589 | CC(=O)c1c(O)c(Cl)cc2c(C)cc(=O)oc12 | [C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][=C][=Ring1][Branch2] | c13c(O)c(Cl)cc2c(C)cc(=O)oc12.CC3=O |
22591 | CN1C(=O)COc2ccc(-c3n[nH]c(=O)c4ccccc34)cc21 | [C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][Ring1][P][Ring2][Ring1][=Branch1] | CN1C(=O)COc2ccc5cc21.c15n[nH]c(=O)c2ccccc12 |
22592 | O=c1[nH]c2ccccc2n2c(-c3cccnc3)nnc12 | [O][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][N][=C][Ring2][Ring1][Ring1][Ring1][O] | O=c1[nH]c2ccccc2n2c4nnc12.c14cccnc1 |
22593 | CCOC(=O)c1cnc2sc3cc(OC)ccc3n2c1=O | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][S][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][N][Ring1][O][C][Ring1][#C][=O] | c17cnc2sc3cc6ccc3n2c1=O.C47=O.CC5.O45.O6C |
22594 | CCOC(=O)c1cnc2oc3ccccc3n2c1=O | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Ring1][=N][=O] | c16cnc2oc3ccccc3n2c1=O.C46=O.CC5.O45 |
22595 | COC(=O)CCC(=O)c1ccc(Br)cc1 | [C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | C2(=O)CCC3=O.c13ccc(Br)cc1.CO2 |
22596 | CCSc1nc2sc3c(c2c(=O)n1CC)CCC3 | [C][C][S][C][=N][C][S][C][=C][Branch1][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][C][C][Ring1][O] | c16nc2sc3c(c2c(=O)n15)CCC3.CC4.S46.C5C |
22598 | CCOC(=O)c1oc2nc(-c3ccccc3)nc(C)c2c1N | [C][C][O][C][=Branch1][C][=O][C][O][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][C][C][=C][Ring1][=N][C][=Ring1][S][N] | c16oc2nc7nc(C)c2c1N.c17ccccc1.C46=O.CC5.O45 |
22599 | COc1ccc(OCc2nc(-c3cccnc3)no2)cc1 | [C][O][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] | c15ccc6cc1.c17nc8no1.c18cccnc1.CO5.O46.C47 |
22600 | COc1ccc2c(c1C)CCC(C1(O)C(=O)Nc3ccccc31)C2=O | [C][O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][C][C][C][C][Branch2][Ring1][Ring2][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][Ring2][Ring1][Ring1][=O] | c14ccc2c(c1C)CCC(C1(O)C(=O)Nc3ccccc31)C2=O.CO4 |
22602 | O=C(N1CCOCC1)N1CCN(c2ccc(F)cc2)CC1 | [O][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | N14CCN5CC1.c15ccc(F)cc1.N13CCOCC1.O=C34 |
22603 | Nc1ccc(Sc2cnn(-c3ccccc3)c(=O)c2Cl)cc1 | [N][C][=C][C][=C][Branch2][Ring1][Branch2][S][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][=N][Cl][C][=C][Ring2][Ring1][Branch1] | c16cnn4c(=O)c1Cl.Nc1ccc5cc1.c14ccccc1.S56 |
22604 | COc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c15ccc6cc1.C178CCOCC1.c18ccccc1.C47=O.CO5.N46 |
22605 | CCC1(C)CC(CC#N)(c2ccc(OC)cc2)CCO1 | [C][C][C][Branch1][C][C][C][C][Branch1][Ring2][C][C][#N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][O][Ring2][Ring1][C] | C14(C)CC56CCO1.c16ccc3cc1.C5C#N.CC4.O3C |
22606 | CC1CCc2nc3sc(C(N)=O)c(N)c3cc2C1 | [C][C][C][C][C][=N][C][S][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][C][N][C][=Ring1][=Branch2][C][=C][Ring1][=N][C][Ring1][P] | CC1CCc2nc3sc4c(N)c3cc2C1.C4(N)=O |
22607 | CCOC(=O)c1sc2nc3c(cc2c1N)CC(C)CC3 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][=Branch2][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][C][Branch1][C][C][C][C][Ring1][O] | c16sc2nc3c(cc2c1N)CC(C)CC3.C46=O.CC5.O45 |
22608 | COc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)CCC3 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][=Branch2][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][C][C][Ring1][=Branch2] | c17sc2nc3c(cc2c1N)CCC3.c15ccccc16.C47=O.CO5.N46 |
22610 | Cc1cccc(NC(=O)CSc2ncccn2)c1 | [C][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][P] | Cc1cccc5c1.c16ncccn1.C3(=O)C4.N35.S46 |
22611 | O=C(COC(=O)c1cnccn1)Nc1ccccc1 | [O][=C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16cnccn1.c15ccccc1.O=C3C4.C26=O.O24.N35 |
22612 | Cc1ccccc1NC(=O)COC(=O)c1cnccn1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1] | Cc1ccccc15.c16cnccn1.C3(=O)C4.C26=O.N35.O24 |
22613 | CC(=O)c1cccc(NC(=O)COC(=O)c2cnccn2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c18cccc6c1.c17cnccn1.C4(=O)C5.CC8=O.C37=O.N46.O35 |
22614 | CCSc1ccccc1C(=O)NC(C)COC | [C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O][C] | c17ccccc16.C4(C)C3.C26=O.CC5.S57.N24.O3C |
22615 | CCCc1nnc(NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)s1 | [C][C][C][C][=N][N][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][=N][S][Ring2][Ring1][Branch1] | C16CC(=O)N8C1.c18ccc(C)cc1.c17nnc5s1.CCC7.C46=O.N45 |
22616 | Cc1ccc(N2CC(C(=O)NCc3cccnc3)CC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc8cc1.N18CC6CC1=O.c17cccnc1.C46=O.N45.C57 |
22617 | Cc1ccc(N2CC(C(=O)Nc3cccnc3)CC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1] | Cc1ccc7cc1.N17CC6CC1=O.c15cccnc1.C46=O.N45 |
22618 | O=C(CSc1ccccc1)N1CCN(C(=O)c2ccco2)CC1 | [O][=C][Branch1][O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N] | N13CCN4CC1.c17ccccc1.c16ccco1.O=C3C5.C46=O.S57 |
22619 | O=C(Cc1c(F)cccc1Cl)Nc1nncs1 | [O][=C][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][N][C][=N][N][=C][S][Ring1][Branch1] | c14c(F)cccc1Cl.c13nncs1.O=C2C4.N23 |
22620 | COCC(C)NC(=O)Cc1c(F)cccc1Cl | [C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl] | c15c(F)cccc1Cl.C3C4C.C2(=O)C5.CO3.N24 |
22621 | O=C(Cc1c(F)cccc1Cl)Nc1nnc(C(F)(F)F)s1 | [O][=C][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2] | c15c(F)cccc1Cl.c13nnc4s1.O=C2C5.C4(F)(F)F.N23 |
22622 | COCc1nnc(NC(=O)Cc2c(F)cccc2Cl)s1 | [C][O][C][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][S][Ring1][P] | c17c(F)cccc1Cl.c16nnc5s1.C3(=O)C7.CO4.C46.N35 |
22623 | O=C(Cc1c(F)cccc1Cl)NCc1ccccn1 | [O][=C][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c15c(F)cccc1Cl.c14ccccn1.O=C2C5.N23.C34 |
22624 | O=C(Cc1c(F)cccc1Cl)NCC1CCCO1 | [O][=C][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][N][C][C][C][C][C][O][Ring1][Branch1] | c15c(F)cccc1Cl.C14CCCO1.O=C2C5.N23.C34 |
22625 | O=C(Cc1c(F)cccc1Cl)NCc1cccnc1 | [O][=C][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14c(F)cccc1Cl.c15cccnc1.O=C2C4.N23.C35 |
22626 | CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccncc2)c1 | [C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][#C] | CCC(CC)C3=O.c15cccc7c1.c16ccncc1.C47=O.N35.N46 |
22627 | CCC(CC)C(=O)Nc1cccc(C(=O)Nc2cccnc2)c1 | [C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][#C] | CCC(CC)C3=O.c15cccc7c1.c16cccnc1.C47=O.N35.N46 |
22628 | NC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O | [N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O] | n13nc4c2ccccc2c1=O.c14ccccc1.NC(=O)C3 |
22629 | COc1cc2nc3n(c(=O)c2cc1OC)C(=O)CS3 | [C][O][C][=C][C][N][=C][N][Branch1][=C][C][=Branch1][C][=O][C][=Ring1][#Branch1][C][=C][Ring1][O][O][C][C][=Branch1][C][=O][C][S][Ring1][=N] | c14cc2nc3n(c(=O)c2cc15)C(=O)CS3.CO4.O5C |
22630 | COc1ccc(N2C(=O)C(O)C2c2ccc(C)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][Branch1][C][O][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c13ccc4cc1.N14C(=O)C(O)C15.c15ccc(C)cc1.CO3 |
22631 | COc1ccc(N2C(=O)C(OC(C)=O)C2c2ccc(C)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Ring1][=Branch2][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1] | c15ccc6cc1.N16C(=O)C4C17.c17ccc(C)cc1.C3(C)=O.CO5.O34 |
22632 | CC(=O)OC1C(=O)N(Cc2ccccc2)C1c1ccc(C)cc1 | [C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | C14C(=O)N5C17.c17ccc(C)cc1.c16ccccc1.CC3=O.O34.C56 |
22633 | Cc1c(OC(C)C)cc2c(c1O)C(=O)C21OCCO1 | [C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch2][O][C][=Branch1][C][=O][C][Ring1][#Branch1][O][C][C][O][Ring1][Branch1] | Cc1c4cc2c(c1O)C(=O)C21OCCO1.C3(C)C.O34 |
22639 | NS(=O)(=O)c1ccc(NC(=O)C2CC=CCC2)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][=C][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | NS(=O)(=O)c1ccc4cc1.C15CC=CCC1.C35=O.N34 |
22640 | CCOC(=O)c1[nH]c(C)c(C(=O)OCC)c1-c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][=Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16[nH]c(C)c7c18.c18ccccc1.C26=O.C37=O.CC4.O24.O35.C5C |
22642 | CC(=O)Nc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][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][Ring2][Ring1][Ring1] | c17ccc(C)c8c1.c16ccc(Cl)cc1.C4(=O)C5.CC3=O.N37.N48.O56 |
22643 | CC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1C | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][C] | c15ccc6cc1C.c17ccccc1.CC3=O.C47=O.N35.N46 |
22644 | CC(=O)Nc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1C | [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][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][C] | c17ccc8cc1C.c16ccc(Cl)cc1.C4(=O)C5.CC3=O.N37.N48.O56 |
22645 | COc1ccc(-c2ccnc3c(OC)ccc(N)c23)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][=N][C][=C][Branch1][Ring1][O][C][C][=C][C][Branch1][C][N][=C][Ring1][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][O][C] | c17ccnc2c5ccc(N)c12.c14ccc7cc16.CO4.O5C.O6C |
22646 | CC(C)CNc1[nH]c(=O)n(C(C)C)c(=O)c1C#N | [C][C][Branch1][C][C][C][N][C][NH1][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Ring1][O][C][#N] | c13[nH]c(=O)n4c(=O)c1C#N.CC(C)C2.C4(C)C.N23 |
22647 | COC(=O)c1onc(-c2ccccc2)c1C(=O)OC | [C][O][C][=Branch1][C][=O][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][O][C] | c15onc7c16.c17ccccc1.C35=O.C46=O.CO3.O4C |
22648 | COc1ccc(Oc2nnnn2-c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch1][P][O][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c14ccc5cc1.c13nnnn16.c16ccccc1.CO4.O35 |
22649 | COC(=O)c1cc(C)cc(N2CCCC2)c1C(=O)OC | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][N][C][=Branch1][C][=O][O][C] | c16cc(C)cc5c17.N15CCCC1.C36=O.C47=O.CO3.O4C |
22650 | Cc1ccc(Cl)cc1S(=O)(=O)Nc1cccnc1 | [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cc1ccc(Cl)cc1S2(=O)=O.c13cccnc1.N23 |
22651 | Cc1ccc(Cl)cc1S(=O)(=O)NCc1ccco1 | [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | Cc1ccc(Cl)cc1S3(=O)=O.c14ccco1.N23.C24 |
22652 | COc1ccc(Br)cc1S(=O)(=O)N1CCCCCC1 | [C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1] | c12ccc(Br)cc1S3(=O)=O.N13CCCCCC1.CO2 |
22653 | Cc1ccc(S(=O)(=O)NCCc2ccc3c(c2)OCO3)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S5(=O)=O)cc1.c16ccc2c(c1)OCO2.C4C6.N45 |
22655 | COc1ccc(Br)cc1S(=O)(=O)Nc1cccnc1 | [C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c12ccc(Br)cc1S3(=O)=O.c14cccnc1.CO2.N34 |
22656 | O=c1[nH]c(=O)n(-c2ccccc2)n1Cc1ccccc1 | [O][=C][NH1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1[nH]c(=O)n5n13.c15ccccc1.c14ccccc1.C34 |
22657 | COc1ccc(Br)cc1S(=O)(=O)Nc1ccncc1 | [C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1] | c12ccc(Br)cc1S3(=O)=O.c14ccncc1.CO2.N34 |
22659 | COc1ccc(Cl)cc1S(=O)(=O)Nc1ncccc1C | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C] | c12ccc(Cl)cc1S3(=O)=O.c14ncccc1C.CO2.N34 |
22660 | COc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1OC | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C] | S4(=O)(=O)c1cc(Cl)ccc13.c12ccccc15.CO2.N45.O3C |
22661 | COc1cccc(-c2nc3ccc(OC(C)=O)cc3c(=O)o2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=N][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][Ring1][#C][=C][Ring2][Ring1][Branch1] | c17nc2ccc6cc2c(=O)o1.c15cccc7c1.C4(C)=O.CO5.O46 |
22662 | Cc1cc(S(=O)(=O)NCc2ccco2)c(Cl)cc1Cl | [C][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Branch1][C][Cl][C][=C][Ring1][P][Cl] | Cc1cc(S4(=O)=O)c(Cl)cc1Cl.c15ccco1.N34.C35 |
22664 | COc1cc2nc(COc3ccccc3)oc(=O)c2cc1OC | [C][O][C][=C][C][N][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=Ring1][#C][C][=C][Ring2][Ring1][Ring1][O][C] | c15cc2nc8oc(=O)c2cc17.c16ccccc1.CO5.C48.O46.O7C |
22667 | O=S(=O)(Nc1ccncc1)c1ccc(Cl)c(Cl)c1Cl | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][Cl] | O=S2(=O)c1ccc(Cl)c(Cl)c1Cl.c13ccncc1.N23 |
22668 | Cc1cc(NC(=O)COc2cccc3ccccc23)no1 | [C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][O][Ring2][Ring1][Ring2] | c16cccc2ccccc12.Cc1cc7no1.C4(=O)C5.N47.O56 |
22670 | Cc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1Cl | [C][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][Cl] | Cc1cc(S3(=O)=O)ccc1Cl.N13CCC(C)CC1 |
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