ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
45537 | COC(=O)CSc1ccsc1C(=O)Nc1ccc(OC)cc1 | [C][O][C][=Branch1][C][=O][C][S][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c16ccc4cc1.c18ccsc17.C2(=O)C5.C37=O.CO2.S58.N36.O4C |
45538 | CC(C)Sc1nnc(-c2ccc(Cl)cc2)n1N | [C][C][Branch1][C][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][N][N] | c14nnc5n1N.c15ccc(Cl)cc1.CC3C.S34 |
45539 | COC(=O)C(NS(=O)(=O)c1ccccc1Cl)c1ccccc1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1Cl.c15ccccc1.C2(=O)C35.CO2.N34 |
45540 | COC(=O)C(C)NS(=O)(=O)c1ccc(Cl)cc1 | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(Cl)cc1.C2(=O)C3C.CO2.N34 |
45541 | CN(C(=O)c1ccccc1)C1c2c(ccc3ccccc23)OCC1CO | [C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][O][C][C][Ring1][=C][C][O] | CN4C1c2c(ccc3ccccc23)OCC16.c15ccccc1.C45=O.C6O |
45542 | COC(=O)C1CC(O)CN1S(=O)(=O)c1cccs1 | [C][O][C][=Branch1][C][=O][C][C][C][Branch1][C][O][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | S3(=O)(=O)c1cccs1.C14CC(O)CN13.C24=O.CO2 |
45543 | Cn1nc(-c2ccccc2)c2ncc(C(F)(F)F)cc21 | [C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Ring2][Ring1][Ring1] | Cn1nc4c2ncc3cc21.c14ccccc1.C3(F)(F)F |
45544 | N#Cc1c(-c2ccccc2)noc1-c1cnc(N)nc1C(F)(F)F | [N][#C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F] | N#Cc1c4noc15.c15cnc(N)nc13.c14ccccc1.C3(F)(F)F |
45545 | CN(C)c1nc(N(C)C)n(-c2cccc(Cl)c2)n1 | [C][N][Branch1][C][C][C][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=Ring1][#C] | c13nc4n5n1.c15cccc(Cl)c1.CN3C.N4(C)C |
45546 | CN(C)c1nc(N(C)C)n(-c2ccc(F)cc2F)n1 | [C][N][Branch1][C][C][C][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][=Ring1][S] | c15ccc(F)cc1F.c13nc4n5n1.CN3C.N4(C)C |
45547 | CN(C)c1nc(N(C)C)n(-c2ccccc2Cl)n1 | [C][N][Branch1][C][C][C][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][=Ring1][#C] | c13nc4n5n1.c15ccccc1Cl.CN3C.N4(C)C |
45548 | CN(C)c1ncc(S(C)(=O)=O)c(-c2ccc(Cl)c(Cl)c2)n1 | [C][N][Branch1][C][C][C][=N][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring2][Ring1][C] | c13ncc(S(C)(=O)=O)c4n1.c14ccc(Cl)c(Cl)c1.CN3C |
45549 | Cc1ncc(S(C)(=O)=O)c(-c2ccc(Cl)c(Cl)c2)n1 | [C][C][=N][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring2][Ring1][C] | Cc1ncc(S(C)(=O)=O)c3n1.c13ccc(Cl)c(Cl)c1 |
45550 | CS(=O)(=O)c1cnc(-c2cccnc2)nc1-c1ccccc1Cl | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | CS(=O)(=O)c1cnc3nc14.c14ccccc1Cl.c13cccnc1 |
45551 | Clc1ccc(-c2ccnc3ncnn23)cc1Cl | [Cl][C][=C][C][=C][Branch1][=C][C][=C][C][=N][C][=N][C][=N][N][Ring1][=Branch2][Ring1][Branch1][C][=C][Ring1][#C][Cl] | c14ccnc2ncnn12.Clc1ccc4cc1Cl |
45552 | CC(Oc1ccc(Cl)cc1Cl)c1ccnc2ncnn12 | [C][C][Branch1][=C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][C][=N][C][=N][C][=N][N][Ring1][=Branch2][Ring1][Branch1] | c15ccnc2ncnn12.c14ccc(Cl)cc1Cl.CC35.O34 |
45553 | Clc1ccc(-c2ccnc3ncnn23)c(Cl)c1 | [Cl][C][=C][C][=C][Branch1][=C][C][=C][C][=N][C][=N][C][=N][N][Ring1][=Branch2][Ring1][Branch1][C][Branch1][C][Cl][=C][Ring1][S] | c14ccnc2ncnn12.Clc1ccc4c(Cl)c1 |
45554 | N#Cc1cnn2c(-c3ccc(Cl)c(Cl)c3)ccnc12 | [N][#C][C][C][=N][N][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][C][=N][C][=Ring1][P][Ring1][=C] | N#Cc1cnn2c4ccnc12.c14ccc(Cl)c(Cl)c1 |
45555 | COc1ccc(-c2ccnc3c(C#N)cnn23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=N][C][=C][Branch1][Ring1][C][#N][C][=N][N][Ring1][O][Ring1][#Branch1][C][=C][Ring1][P] | c15ccnc2c(C#N)cnn12.c14ccc5cc1.CO4 |
45556 | N#Cc1cnn2c(-c3ccc(Br)cc3)ccnc12 | [N][#C][C][C][=N][N][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][C][=N][C][=Ring1][S][Ring1][=N] | N#Cc1cnn2c4ccnc12.c14ccc(Br)cc1 |
45557 | N#Cc1cnn2c(-c3ccc(-n4ccnc4)cc3)ccnc12 | [N][#C][C][C][=N][N][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O][=C][C][=N][C][=Ring2][Ring1][Ring2][Ring1][P] | N#Cc1cnn2c6ccnc12.c16ccc5cc1.n15ccnc1 |
45558 | COc1ccc(Sc2nc3sccn3c2C#N)cc1 | [C][O][C][=C][C][=C][Branch1][S][S][C][N][=C][S][C][=C][N][Ring1][Branch1][C][=Ring1][Branch2][C][#N][C][=C][Ring1][P] | c15nc2sccn2c1C#N.c14ccc6cc1.CO4.S56 |
45559 | CNc1nc(-c2cccnc2)nc(-c2ccc(Cl)cc2)c1C#N | [C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1][C][#N] | c13nc4nc5c1C#N.c15ccc(Cl)cc1.c14cccnc1.CN3 |
45560 | N#Cc1c(-c2ccccc2)nc(-c2cccnc2)nc1N1CCOCC1 | [N][#C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][C][N][C][C][O][C][C][Ring1][=Branch1] | N#Cc1c3nc5nc14.c14ccccc1.c15cccnc1.N13CCOCC1 |
45561 | CN(C)c1nc(-c2cccnc2)nc(-c2ccccc2)c1C#N | [C][N][Branch1][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][C][#N] | c13nc4nc5c1C#N.c14cccnc1.c15ccccc1.CN3C |
45562 | CN(C)c1nc(-c2ccncc2)nc(-c2ccccc2)c1C#N | [C][N][Branch1][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][C][#N] | c13nc4nc5c1C#N.c14ccncc1.c15ccccc1.CN3C |
45563 | CC(C)Nc1nc(-c2cccnc2)nc(-c2ccccc2)c1C#N | [C][C][Branch1][C][C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][C][#N] | c14nc5nc6c1C#N.c15cccnc1.c16ccccc1.CC3C.N34 |
45564 | CC(C)Nc1nc(-c2ccncc2)nc(-c2ccccc2)c1C#N | [C][C][Branch1][C][C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][C][#N] | c14nc5nc6c1C#N.c15ccncc1.c16ccccc1.CC3C.N34 |
45565 | CN(C)c1nc(-c2ccncc2)nc(-c2ccc(Cl)cc2)c1C#N | [C][N][Branch1][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1][C][#N] | c13nc4nc5c1C#N.c15ccc(Cl)cc1.c14ccncc1.CN3C |
45566 | CNC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 | [C][N][C][=Branch1][C][=O][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] | c14nn5c(=O)c2ccccc12.c15ccc(Cl)cc1.C34=O.CN3 |
45568 | CC(C)Nc1nc(-c2ccccn2)nc(-c2ccccc2)c1C#N | [C][C][Branch1][C][C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][C][#N] | c14nc5nc6c1C#N.c15ccccn1.c16ccccc1.CC3C.N34 |
45569 | CCNC(=O)Nn1c(-c2ccccn2)nnc1-c1ccccn1 | [C][C][N][C][=Branch1][C][=O][N][N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][N][=C][Ring1][O][C][=C][C][=C][C][=N][Ring1][=Branch1] | C3(=O)Nn1c5nnc16.c15ccccn1.c16ccccn1.CC4.N34 |
45570 | CNc1nc(-c2ccccn2)nc(-c2ccc(OC)cc2)c1C#N | [C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][Ring2][C][#N] | c14nc5nc6c1C#N.c16ccc3cc1.c15ccccn1.CN4.O3C |
45571 | COC(=O)c1cnc(SC)nc1-c1cccnc1 | [C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Ring1][S][C][N][=C][Ring1][Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1] | c13cnc4nc15.c15cccnc1.C23=O.CO2.S4C |
45572 | COC(=O)c1cnc(-c2ccc(C)cc2)nc1-c1ccncc1 | [C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=C][Ring1][=N][C][=C][C][=N][C][=C][Ring1][=Branch1] | c14cnc5nc16.c15ccc(C)cc1.c16ccncc1.C34=O.CO3 |
45573 | CNC(=O)c1cnc(-c2ccc(C)cc2)nc1-c1ccncc1 | [C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=C][Ring1][=N][C][=C][C][=N][C][=C][Ring1][=Branch1] | c14cnc5nc16.c15ccc(C)cc1.c16ccncc1.C34=O.CN3 |
45574 | COC(=O)c1cnc(-c2ccc(C)cc2)nc1-c1cccnc1 | [C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=C][Ring1][=N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14cnc5nc16.c15ccc(C)cc1.c16cccnc1.C34=O.CO3 |
45575 | Cc1ccc(-c2ncc(C(N)=O)c(-c3ccncc3)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c15ncc4c6n1.Cc1ccc5cc1.c16ccncc1.C4(N)=O |
45576 | CNC(=O)c1cnc(-c2ccc(C)cc2)nc1-c1cccnc1 | [C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=C][Ring1][=N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14cnc5nc16.c15ccc(C)cc1.c16cccnc1.C34=O.CN3 |
45577 | Cc1ccc(-c2ncc(C(N)=O)c(-c3cccnc3)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c15ncc4c6n1.Cc1ccc5cc1.c16cccnc1.C4(N)=O |
45578 | CC(c1ccn(C(=O)Nc2ccccc2)n1)n1cncn1 | [C][C][Branch2][Ring1][#Branch1][C][C][=C][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][=C][N][C][=N][C][=N][Ring1][Branch1] | c16ccn(C3=O)n1.c14ccccc1.n15cncn1.CC56.N34 |
45579 | CNC(=O)c1cc(C(=O)c2ccccc2C(F)(F)F)c[nH]1 | [C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][NH1][Ring1][P] | c16ccccc17.c14cc5c[nH]1.C7(F)(F)F.C34=O.C56=O.CN3 |
45580 | CN(C)C(=O)c1cc(C(=O)c2ccc(F)cc2Cl)c[nH]1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][=C][NH1][Ring1][#C] | c16ccc(F)cc1Cl.c14cc5c[nH]1.CN3C.C34=O.C56=O |
45581 | CC(c1ccn(S(=O)(=O)c2ccccc2)n1)n1cncn1 | [C][C][Branch2][Ring1][=Branch2][C][C][=C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][=C][N][C][=N][C][=N][Ring1][Branch1] | c14ccn(S(=O)(=O)c2ccccc2)n1.n13cncn1.CC34 |
45582 | c1ccc2c(c1)nc1nccc(-c3ccc(-n4cncn4)cc3)n12 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][N][=C][C][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][O][N][Ring1][P][Ring2][Ring1][Branch1] | c1ccc2c(c1)nc1nccc6n12.c16ccc5cc1.n15cncn1 |
45583 | COc1ccc(-c2cn(CCO)nc2-c2ccc(OC)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][N][Branch1][Ring2][C][C][O][N][=C][Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=Branch1] | c13ccc7cc1.c17cn5nc16.c16ccc4cc1.C5CO.CO3.O4C |
45584 | CCOC(=O)c1cn2c(n1)sc1cc(OCC)ccc12 | [C][C][O][C][=Branch1][C][=O][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][S][C][=C][C][Branch1][Ring2][O][C][C][=C][C][=C][Ring1][=Branch2][Ring1][=N] | c17cn2c(n1)sc1cc6ccc12.C37=O.CC4.O34.O56.C5C |
45586 | Cc1cc(C(F)(F)F)n2ncc(S(=O)(=O)c3ccccc3)c2n1 | [C][C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][N][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][N][=Ring2][Ring1][=Branch1] | Cc1cc4n2ncc(S(=O)(=O)c3ccccc3)c2n1.C4(F)(F)F |
45587 | Cc1cc(C)n(-c2nc(-c3cccs3)cs2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][S][Ring1][#Branch2][N][=Ring1][S] | Cc1cc(C)n4n1.c14nc5cs1.c15cccs1 |
45588 | Cc1cc2ncc(S(=O)(=O)c3ccccc3)c(N)n2n1 | [C][C][C][=C][N][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][N][N][Ring1][S][N][=Ring2][Ring1][Ring1] | Cc1cc2ncc(S(=O)(=O)c3ccccc3)c(N)n2n1 |
45589 | CC(C)(C)S(=O)(=O)c1cnc2c(-c3ccsc3)cnn2c1N | [C][C][Branch1][C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=N][C][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][C][=N][N][Ring1][#Branch2][C][=Ring1][=C][N] | CC(C)(C)S(=O)(=O)c1cnc2c4cnn2c1N.c14ccsc1 |
45590 | Cc1nc2c(S(=O)(=O)c3ccccc3)cnn2c(C)c1C | [C][C][=N][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][=C][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][C] | Cc1nc2c(S(=O)(=O)c3ccccc3)cnn2c(C)c1C |
45591 | CCOC(=O)c1cnc2c(Cl)c(C)nn2c1C(F)(F)F | [C][C][O][C][=Branch1][C][=O][C][C][=N][C][=C][Branch1][C][Cl][C][Branch1][C][C][=N][N][Ring1][#Branch1][C][=Ring1][O][C][Branch1][C][F][Branch1][C][F][F] | c15cnc2c(Cl)c(C)nn2c16.C6(F)(F)F.C35=O.CC4.O34 |
45592 | Cc1nc2nnnn2c(C)c1CC=Cc1ccccc1 | [C][C][=N][C][=N][N][=N][N][Ring1][Branch1][C][Branch1][C][C][=C][Ring1][#Branch2][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nc2nnnn2c(C)c14.C=3c1ccccc1.C4C=3 |
45593 | N#Cc1ccc(-n2nccc2-c2cnc3n(c2=O)CCS3)cc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][Branch2][N][N][=C][C][=C][Ring1][Branch1][C][=C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | c15cnc2n(c1=O)CCS2.N#Cc1ccc4cc1.n14nccc15 |
45594 | O=c1c(-c2ccnn2-c2ccc(F)cc2)cnc2n1CCS2 | [O][=C][C][Branch2][Ring1][Ring1][C][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][N][=C][N][Ring2][Ring1][C][C][C][S][Ring1][Branch1] | O=c1c4cnc2n1CCS2.c13ccc(F)cc1.c14ccnn13 |
45595 | O=c1c(-c2ccnn2-c2cccc(Cl)c2)cnc2n1CCS2 | [O][=C][C][Branch2][Ring1][Ring1][C][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][N][=C][N][Ring2][Ring1][C][C][C][S][Ring1][Branch1] | O=c1c4cnc2n1CCS2.c13cccc(Cl)c1.c14ccnn13 |
45597 | c1csc(-c2ccnc3c(-c4ccsc4)cnn23)c1 | [C][=C][S][C][Branch2][Ring1][#Branch1][C][=C][C][=N][C][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][C][=N][N][Ring1][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] | c15ccnc2c6cnn12.c1csc5c1.c16ccsc1 |
45598 | O=C(OCCC1Oc2cccnc2NC1=O)c1ccco1 | [O][=C][Branch2][Ring1][Ring1][O][C][C][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][=C][C][=C][O][Ring1][Branch1] | C16Oc2cccnc2NC1=O.c15ccco1.O=C35.C4C6.O34 |
45599 | Cc1c(CCO)c(=O)n(C)n1S(=O)(=O)c1ccc(Cl)cc1 | [C][C][=C][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][N][Branch1][C][C][N][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1c2c(=O)n(C)n1S(=O)(=O)c1ccc(Cl)cc1.C2CO |
45600 | Cc1ccc(S(=O)(=O)n2c(C)c(CCO)c(=O)n2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][=C][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][=C][Ring2][Ring1][Ring2] | Cc1ccc(S(=O)(=O)n2c(C)c3c(=O)n2C)cc1.C3CO |
45601 | Cc1cc2ncc(C(=O)c3ccccc3O)cn2n1 | [C][C][C][=C][N][=C][C][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][=C][N][Ring1][#C][N][=Ring2][Ring1][C] | Cc1cc2ncc4cn2n1.c15ccccc1O.C45=O |
45602 | COC(=O)c1nc2ccc(N3CCOCC3)cc2c(C)c1C(=O)OC | [C][O][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][Branch1][C][C][=C][Ring1][P][C][=Branch1][C][=O][O][C] | c17nc2ccc6cc2c(C)c18.N16CCOCC1.C47=O.C58=O.CO4.O5C |
45603 | Cc1c(CCO)c(=O)n(C)n1C(=O)c1ccc(Cl)cc1 | [C][C][=C][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][N][Branch1][C][C][N][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1c3c(=O)n(C)n1C2=O.c12ccc(Cl)cc1.C3CO |
45604 | Cc1cc(C)c(S(=O)(=O)n2c(C)c(CCO)c(=O)n2C)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][=C][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | Cc1cc(C)c(S(=O)(=O)n2c(C)c3c(=O)n2C)c(C)c1.C3CO |
45605 | Cc1c(CCO)c(=O)n(C(C)(C)C)n1S(C)(=O)=O | [C][C][=C][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][=N][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1c3c(=O)n2n1S(C)(=O)=O.C2(C)(C)C.C3CO |
45606 | COc1ccc(S(=O)(=O)n2[nH]c(=O)c(CCO)c2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][NH1][C][=Branch1][C][=O][C][Branch1][Ring2][C][C][O][=C][Ring1][=Branch2][C][C][=C][Ring2][Ring1][Ring1] | c13ccc(S(=O)(=O)n2[nH]c(=O)c4c2C)cc1.C4CO.CO3 |
45607 | Cc1c(CCO)c(=O)[nH]n1S(=O)(=O)c1ccc(F)cc1 | [C][C][=C][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][NH1][N][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1c2c(=O)[nH]n1S(=O)(=O)c1ccc(F)cc1.C2CO |
45608 | CCOC(=O)c1cn(-c2nc(C)cc(-c3ccccc3)n2)nn1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][Branch2][Ring1][=Branch1][C][=N][C][Branch1][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=N][N][=N][Ring2][Ring1][C] | c17nc8cc(C)n1.c16cn7nn1.c18ccccc1.C46=O.CC5.O45 |
45609 | O=c1cc(CO)occ1OCc1c(F)cccc1Cl | [O][=C][C][=C][Branch1][Ring1][C][O][O][C][=C][Ring1][Branch2][O][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl] | O=c1cc4occ13.c15c(F)cccc1Cl.C4O.O23.C25 |
45610 | CC(C)C(=O)NCc1cc(-c2ccccc2Cl)no1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][O][Ring1][N] | c16ccccc1Cl.c15cc6no1.CC(C)C3=O.N34.C45 |
45612 | COc1ccc(NC(=O)c2c(C)nc3sccn23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][S][C][=C][N][Ring1][=Branch2][Ring1][Branch1][C][=C][Ring2][Ring1][C] | c17c(C)nc2sccn12.c15ccc6cc1.C47=O.CO5.N46 |
45613 | COc1ccc(-c2cc(CNS(=O)(=O)c3ccccc3)on2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][C][=C][Branch2][Ring1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][S][C][=C][Ring2][Ring1][=Branch1] | S6(=O)(=O)c1ccccc1.c14ccc8cc1.c18cc7on1.CO4.C57.N56 |
45615 | Cc1ccc(S(=O)(=O)c2nc(C)cc(C)c2S(C)(=O)=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S(=O)(=O)c2nc(C)cc(C)c2S(C)(=O)=O)cc1 |
45616 | COc1ccc(CSc2nc(C)cc(C)c2S(C)(=O)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][Ring2] | c16nc(C)cc(C)c1S(C)(=O)=O.c13ccc5cc1.CO3.C45.S46 |
45617 | Cc1cccc(C)c1NC(=O)Oc1cc(C(F)(F)F)n(C)n1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][O][C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Branch1][C][C][N][=Ring1][#Branch2] | Cc1cccc(C)c15.c14cc6n(C)n1.C6(F)(F)F.C23=O.N35.O24 |
45618 | Cn1nc(OC(=O)Nc2ccc(F)cc2)cc1C(F)(F)F | [C][N][N][=C][Branch2][Ring1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][S][C][Branch1][C][F][Branch1][C][F][F] | Cn1nc5cc17.c16ccc(F)cc1.C7(F)(F)F.C34=O.O35.N46 |
45619 | Cc1ccc(-n2ncc(Cl)c2C(=O)NC2CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][N][N][=C][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][C] | Cc1ccc6cc1.n16ncc(Cl)c15.C35=O.C14CC1.N34 |
45621 | CNC(=O)c1c(Cl)cnn1-c1ccc(F)cc1 | [C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=N][N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c13c(Cl)cnn14.c14ccc(F)cc1.C23=O.CN2 |
45623 | CC(=O)Nc1cccc(Oc2ccc3nnc(C(F)(F)F)n3n2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=Branch2][O][C][C][=C][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][=Branch2][N][=Ring1][=N][=C][Ring2][Ring1][Ring2] | c15ccc2nnc8n2n1.c17cccc6c1.C8(F)(F)F.CC4=O.N47.O56 |
45624 | FC(F)(F)c1nnc2ccc(-n3cccc3)nn12 | [F][C][Branch1][C][F][Branch1][C][F][C][=N][N][=C][C][=C][C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][=N][N][Ring1][=C][Ring1][O] | c14nnc2ccc5nn12.n15cccc1.FC4(F)F |
45626 | Cc1snc2sc(C(=O)c3ccccc3)c(N)c12 | [C][C][S][N][=C][S][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][N][C][=Ring1][P][Ring1][=C] | Cc1snc2sc4c(N)c12.c15ccccc1.C45=O |
45627 | COc1cccc(Oc2ccc3nnc(C(F)(F)F)n3n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][O][C][C][=C][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][=Branch2][N][=Ring1][=N][=C][Ring2][Ring1][Ring2] | c14ccc2nnc7n2n1.c15cccc6c1.C7(F)(F)F.CO5.O46 |
45629 | Fc1ccc(Oc2ccc3nnc(C(F)(F)F)n3n2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][C][=C][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][=Branch2][N][=Ring1][=N][C][=C][Ring2][Ring1][Ring2] | c14ccc2nnc6n2n1.Fc1ccc5cc1.C6(F)(F)F.O45 |
45631 | CCOC(=O)c1c2ccc(O)cc2n2ccccc12 | [C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=Ring1][=C][Ring1][=Branch1] | c15c2ccc(O)cc2n2ccccc12.C35=O.CC4.O34 |
45632 | N#CCn1ncn(-c2cccc(C(F)(F)F)c2)c1=O | [N][#C][C][N][N][=C][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Ring1][#C][=O] | n13ncn5c1=O.c15cccc4c1.C4(F)(F)F.N#CC3 |
45633 | O=c1n(-c2cccc(C(F)(F)F)c2)cnn1Cc1cccc(F)c1 | [O][=C][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=N][N][Ring1][#C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | O=c1n6cnn13.c16cccc4c1.c15cccc(F)c1.C4(F)(F)F.C35 |
45634 | CCOC(=O)Cn1ncn(-c2ccc(Br)cc2)c1=O | [C][C][O][C][=Branch1][C][=O][C][N][N][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][N][=O] | n15ncn6c1=O.c16ccc(Br)cc1.C3(=O)C5.CC4.O34 |
45638 | c1ccc(-c2nc(N3CCOCC3)cc(N3CCOCC3)n2)cc1 | [C][=C][C][=C][Branch2][Ring1][=C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] | c16nc4cc5n1.c1ccc6cc1.N14CCOCC1.N15CCOCC1 |
45641 | O=C(OC1CCS(=O)(=O)c2sccc21)c1cccs1 | [O][=C][Branch2][Ring1][Branch1][O][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][Ring1][O][C][=C][C][=C][S][Ring1][Branch1] | O3C1CCS(=O)(=O)c2sccc21.c14cccs1.O=C34 |
45644 | Cc1nnsc1NC(=O)OCc1ccccc1Cl | [C][C][N][=N][S][C][=Ring1][Branch1][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c16ccccc1Cl.Cc1nnsc15.C23=O.N35.O24.C46 |
45645 | CSc1nc(N2CCCC2)c2sccc2n1 | [C][S][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][S][C][=C][C][Ring1][Branch1][=N][Ring1][=C] | c14nc3c2sccc2n1.N13CCCC1.CS4 |
45646 | CSc1nc(N2CCOCC2)c2sccc2n1 | [C][S][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][S][C][=C][C][Ring1][Branch1][=N][Ring1][#C] | c14nc3c2sccc2n1.N13CCOCC1.CS4 |
45650 | N#Cc1ncn(-c2ccccc2Oc2ccccc2)c1N | [N][#C][C][N][=C][N][Branch2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring2][Ring1][C][N] | N#Cc1ncn5c1N.c15ccccc13.c14ccccc1.O34 |
45652 | Cc1noc2ncnc(N(C)Cc3ccccc3)c12 | [C][C][=N][O][C][=N][C][=N][C][Branch1][=C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][Ring1][#C] | Cc1noc2ncnc5c12.c16ccccc1.N45C.C46 |
45653 | Cc1noc2ncnc(N3CCN(c4ccc(F)cc4)CC3)c12 | [C][C][=N][O][C][=N][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][Ring1] | Cc1noc2ncnc5c12.N15CCN6CC1.c16ccc(F)cc1 |
45654 | Cc1noc2ncnc(N3CCN(c4cccc(Cl)c4)CC3)c12 | [C][C][=N][O][C][=N][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][Ring1] | Cc1noc2ncnc5c12.N15CCN6CC1.c16cccc(Cl)c1 |
45655 | COc1ccccc1NC(=O)c1nn(-c2ccccc2)ccc1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O] | c16nn7ccc1=O.c14ccccc15.c17ccccc1.C36=O.CO4.N35 |
45656 | Cc1ccccc1NC(=O)c1nn(-c2ccccc2)ccc1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O] | c15nn6ccc1=O.Cc1ccccc14.c16ccccc1.C35=O.N34 |
45657 | Cc1ccccc1NC(=O)c1nn(-c2ccc(F)c(F)c2)ccc1=O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=N][N][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][C][Ring1][=C][=O] | c15nn6ccc1=O.c16ccc(F)c(F)c1.Cc1ccccc14.C35=O.N34 |
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