SMILES stringlengths 16 101 | Deep SMILES stringlengths 14 104 | SELFIES stringlengths 66 296 | SAFE stringlengths 19 118 | Group SELFIES stringlengths 66 302 |
|---|---|---|---|---|
O=C1NC(=O)N2CCN(C(=O)Cn3cc(C4CC4)nn3)C[C@H]12 | O=CNC=O)NCCNC=O)CnccCCC3)))nn5)))))))C[C@H]96 | [O][=C][N][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][N][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=N][Ring1][Branch2][C][C@H1][Ring2][Ring1][Branch1][Ring1][P] | O=C1NC(=O)N2CCN5C[C@H]12.n16cc7nn1.C5(=O)C6.C17CC1 | [O][=C][N][C][=Branch][=O][pop][N][C][C][N][Branch][C][=Branch][=O][pop][C][N][C][=C][Branch][C][C][C][Ring1][Ring1][pop][N][=N][Ring1][O][pop][C][CH1][Ring2][Ring1][O][Ring2][Ring1][Ring2] |
N[C@@H]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 | N[C@@H]CCCN[C@@H]C[C@H]CCC[C@@H]C8)N6Ccccccc6)))))))))))))))C6 | [N][C@@H1][C][C][C][N][Branch2][Ring1][=Branch2][C@@H1][C][C@H1][C][C][C][C@@H1][Branch1][Ring2][C][Ring1][Branch2][N][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1] | [C@@H]15C[C@H]2CCC[C@@H](C1)N24.N[C@@H]1CCCN5C1.c16ccccc1.C46 | [N][CH1][C][C][C][N][Branch][CH1][C][CH1][C][C][C][CH1][Branch][C][Ring1][O][pop][N][Branch][C][C][=C][C][=C][C][=C][Ring1][=Branch][pop][Ring1][#Branch][pop][C][Ring2][Ring1][N] |
COc1ccccc1CN(C)C(=O)CN1CCC[C@H]1c1ccccc1 | COcccccc6CNC)C=O)CNCCC[C@H]5cccccc6 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][C][C][C@H1][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13ccccc16.N15CCC[C@H]17.c17ccccc1.C2(=O)C5.N24C.CO3.C46 | [C][O][C][=C][C][=C][C][=C][Branch][C][N][Branch][C][pop][C][=Branch][=O][pop][C][N][C][C][C][CH1][Branch][C][=C][C][=C][C][=C][Ring1][=Branch][pop][Ring1][Branch][pop][Ring1][=Branch] |
CCC[C@](C)(CC)C(=O)NCCC1=CCN(CCF)CC1 | CCC[C@]C)CC))C=O)NCCC=CCNCCF)))CC6 | [C][C][C][C@][Branch1][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][N][Branch1][Ring2][C][C][F][C][C][Ring1][=Branch2] | CCC[C@](C)(CC)C2=O.C3CC1=CCN4CC1.C4CF.N23 | [C][C][C][C][Branch][C][pop][Branch][C][C][pop][C][=Branch][=O][pop][N][C][C][C][=C][C][N][Branch][C][C][F][pop][C][C][Ring1][N] |
COc1cccnc1NC(=O)N(C)C[C@H](C)C(=O)OC(C)(C)C | COccccnc6NC=O)NC)C[C@H]C)C=O)OCC)C)C | [C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] | c16cccnc18.C7[C@H](C)C2=O.C5(C)(C)C.C34=O.N47C.CO6.N38.O25 | [C][O][C][=C][C][=C][N][=C][Branch][N][C][=Branch][=O][pop][N][Branch][C][pop][C][CH1][Branch][C][pop][C][=Branch][=O][pop][O][C][Branch][C][pop][Branch][C][pop][C][pop][Ring1][=Branch] |
CO[C@@H]1COC[C@H]1NC(=O)N[C@H]1CCNC12CCC2 | CO[C@@H]COC[C@H]5NC=O)N[C@H]CCNC5CCC4 | [C][O][C@@H1][C][O][C][C@H1][Ring1][Branch1][N][C][=Branch1][C][=O][N][C@H1][C][C][N][C][Ring1][Branch1][C][C][C][Ring1][Ring2] | [C@H]17CCNC12CCC2.[C@@H]15COC[C@H]16.C34=O.CO5.N36.N47 | [C][O][CH1][C][O][C][CH1][Branch][N][C][=Branch][=O][pop][N][CH1][C][C][N][C][Branch][C][C][C][Ring1][Ring2][pop][Ring1][Branch][pop][Ring1][Branch] |
CCc1noc(CN2CC[C@@H]2CN(C)C(=O)c2cnn(C)c2CC)n1 | CCcnocCNCC[C@@H]4CNC)C=O)ccnnC)c5CC)))))))))))))))n5 | [C][C][C][=N][O][C][Branch2][Ring1][=N][C][N][C][C][C@@H1][Ring1][Ring2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][=N][Ring2][Ring1][#Branch1] | c16cnn(C)c1%10.c18noc9n1.N14CC[C@@H]17.N35C.C36=O.CC8.C49.C57.C%10C | [C][C][C][=N][O][C][Branch][C][N][C][C][CH1][Branch][C][N][Branch][C][pop][C][=Branch][=O][pop][C][C][=N][N][Branch][C][pop][C][Branch][C][C][pop][=Ring1][=Branch][pop][Ring1][Ring2][pop][=N][Ring2][Ring1][=N] |
CC(C)CN[C@H]1CCN(C(=O)C[C@@H]2CCCCO2)C1 | CCC)CN[C@H]CCNC=O)C[C@@H]CCCCO6))))))))C5 | [C][C][Branch1][C][C][C][N][C@H1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C@@H1][C][C][C][C][O][Ring1][=Branch1][C][Ring1][=C] | [C@H]15CCN3C1.[C@@H]16CCCCO1.CC(C)C4.C3(=O)C6.N45 | [C][C][Branch][C][pop][C][N][CH1][C][C][N][Branch][C][=Branch][=O][pop][C][CH1][C][C][C][C][O][Ring1][=Branch][pop][C][Ring1][P] |
CO[C@H]1C[C@H](NC(=O)N(C)Cc2ccccc2)C12CCC2 | CO[C@H]C[C@H]NC=O)NC)Ccccccc6))))))))))C4CCC4 | [C][O][C@H1][C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][C][C][C][Ring1][Ring2] | [C@H]15C[C@H]7C12CCC2.c18ccccc1.C34=O.N46C.CO5.N37.C68 | [C][O][CH1][C][CH1][Branch][N][C][=Branch][=O][pop][N][Branch][C][pop][C][C][=C][C][=C][C][=C][Ring1][=Branch][pop][C][Branch][C][C][C][Ring1][Ring2][pop][Ring2][Ring1][Ring1] |
CS(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)cn1 | CS=O)=O)ccccC=O)N[C@H]CC=O)NCCC3)))C5)))))))cn6 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C@H1][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=Branch2][C][=N][Ring2][Ring1][C] | CS(=O)(=O)c1ccc6cn1.[C@H]15CC(=O)N7C1.C46=O.C17CC1.N45 | [C][S][=Branch][=O][pop][=Branch][=O][pop][C][=C][C][=C][Branch][C][=Branch][=O][pop][N][CH1][C][C][=Branch][=O][pop][N][Branch][C][C][C][Ring1][Ring1][pop][C][Ring1][N][pop][C][=N][Ring2][Ring1][Branch] |
CC[C@]1(C)C[C@H]1C(=O)N[C@H](C(=O)OC)c1ccc2c(c1)CCO2 | CC[C@]C)C[C@H]3C=O)N[C@H]C=O)OC)))cccccc6)CCO5 | [C][C][C@][Branch1][C][C][C][C@H1][Ring1][Ring2][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1] | c18ccc2c(c1)CCO2.[C@@]17(C)C[C@H]16.[C@H]58C3=O.C46=O.CC7.N45.O3C | [C][C][C][Branch][C][pop][C][CH1][Branch][C][=Branch][=O][pop][N][CH1][Branch][C][=Branch][=O][pop][O][C][pop][C][=C][C][=C][C][=Branch][=C][Ring1][=Branch][pop][C][C][O][Ring1][=Branch][pop][Ring1][Ring2] |
Cc1ncc(C)c(N[C@H]2C[C@@H](C)N(C(=O)c3c(C)nn(C)c3C)C2)n1 | CcnccC)cN[C@H]C[C@@H]C)NC=O)ccC)nnC)c5C)))))))C5))))))n6 | [C][C][=N][C][=C][Branch1][C][C][C][Branch2][Ring1][P][N][C@H1][C][C@@H1][Branch1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][C][Ring1][S][=N][Ring2][Ring1][Branch2] | Cc1ncc(C)c5n1.c17c(C)nn(C)c1C.[C@H]16C[C@@H](C)N4C1.C47=O.N56 | [C][C][=N][C][=C][Branch][C][pop][C][Branch][N][CH1][C][CH1][Branch][C][pop][N][Branch][C][=Branch][=O][pop][C][C][Branch][C][pop][=N][N][Branch][C][pop][C][Branch][C][pop][=Ring1][#Branch][pop][C][Ring2][Ring1][Ring1][pop][=N][Ring2][Ring1][=C] |
Cc1nccc(NC(=O)N[C@@H]2CCCO[C@H]2CC(C)C)n1 | CcncccNC=O)N[C@@H]CCCO[C@H]6CCC)C))))))))))))n6 | [C][C][=N][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C@@H1][C][C][C][O][C@H1][Ring1][=Branch1][C][C][Branch1][C][C][C][=N][Ring2][Ring1][Ring2] | Cc1nccc5n1.[C@@H]16CCCO[C@H]17.C7C(C)C.C34=O.N35.N46 | [C][C][=N][C][=C][C][Branch][N][C][=Branch][=O][pop][N][CH1][C][C][C][O][CH1][Branch][C][C][Branch][C][pop][C][pop][Ring1][=Branch][pop][=N][Ring2][Ring1][#Branch] |
CO[C@@H](C)C(=O)N1CC(n2cc(CNC[C@H]3CCOC3)nn2)C1 | CO[C@@H]C)C=O)NCCnccCNC[C@H]CCOC5))))))))nn5)))))C4 | [C][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring2][N][C][=C][Branch1][O][C][N][C][C@H1][C][C][O][C][Ring1][Branch1][N][=N][Ring1][=N][C][Ring1][P] | n1%10cc8nn1.[C@H]5(C)C4=O.N14CC%10C1.[C@H]19CCOC1.CO5.C68.N67.C79 | [C][O][CH1][Branch][C][pop][C][=Branch][=O][pop][N][C][C][Branch][N][C][=C][Branch][C][N][C][CH1][C][C][O][C][Ring1][Branch][pop][N][=N][Ring1][S][pop][C][Ring2][Ring1][Ring2] |
CC(C)C(=O)NC[C@@H](C)NC(=O)[C@@H](c1ccccc1)N(C)C | CCC)C=O)NC[C@@H]C)NC=O)[C@@H]cccccc6))))))NC)C | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C] | c17ccccc1.CC(C)C2=O.C3(=O)[C@H]67.C4[C@H]5C.N6(C)C.N24.N35 | [C][C][Branch][C][pop][C][=Branch][=O][pop][N][C][CH1][Branch][C][pop][N][C][=Branch][=O][pop][CH1][Branch][C][=C][C][=C][C][=C][Ring1][=Branch][pop][N][Branch][C][pop][C] |
O=C(NC[C@H]1CCCN1C(=O)[C@@H]1CC12CCCC2)[C@H]1[C@@H]2COC[C@@H]21 | O=CNC[C@H]CCCN5C=O)[C@@H]CC3CCCC5)))))))))))))))[C@H][C@@H]COC[C@@H]56 | [O][=C][Branch2][Ring1][=Branch2][N][C][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][C][C][Ring1][Ring1][C][C][C][C][Ring1][Branch1][C@H1][C@@H1][C][O][C][C@@H1][Ring1][Branch1][Ring1][=Branch1] | [C@@H]17CC12CCCC2.[C@H]18CCCN14.[C@@H]16[C@H]2COC[C@@H]12.O=C36.C47=O.N35.C58 | [O][=C][Branch][N][C][CH1][C][C][C][N][Branch][C][=Branch][=O][pop][CH1][C][C][Branch][C][C][C][C][Ring1][Branch][pop][Ring1][Ring1][pop][Ring1][Branch][pop][CH1][CH1][C][O][C][CH1][Ring1][=Branch][Ring1][Branch] |
COc1cc(Cl)c(CN2CC(N(C)[C@H]3CCOC3)C2)c(Cl)c1 | COcccCl)cCNCCNC)[C@H]CCOC5))))))C4)))))cCl)c6 | [C][O][C][=C][C][Branch1][C][Cl][=C][Branch2][Ring1][Branch1][C][N][C][C][Branch1][N][N][Branch1][C][C][C@H1][C][C][O][C][Ring1][Branch1][C][Ring1][O][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring2] | c14cc(Cl)c8c(Cl)c1.N15CC6C1.[C@H]17CCOC1.N67C.CO4.C58 | [C][O][C][=C][C][Branch][Cl][pop][=C][Branch][C][N][C][C][Branch][N][Branch][C][pop][CH1][C][C][O][C][Ring1][Branch][pop][C][Ring1][=C][pop][C][Branch][Cl][pop][=C][Ring2][Ring1][#Branch] |
COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)[C@H](C)Oc1cccnc1 | COC=O)[C@@H]C[C@@H]OC))CN5C=O)[C@H]C)Occccnc6 | [C][O][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][Ring1][O][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C@H1][Branch1][C][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1] | [C@@H]17C[C@@H]5CN13.c16cccnc1.C3(=O)[C@@H]4C.C27=O.CO2.O5C.O46 | [C][O][C][=Branch][=O][pop][CH1][C][CH1][Branch][O][C][pop][C][N][Branch][C][=Branch][=O][pop][CH1][Branch][C][pop][O][C][=C][C][=C][N][=C][Ring1][=Branch][pop][Ring1][#Branch] |
O=C1NCC[C@@H]1N1CC[C@@H]2CN(C(=O)c3ccc4nccn4c3)[C@@H]2C1 | O=CNCC[C@@H]5NCC[C@@H]CNC=O)ccccnccn5c9))))))))))[C@@H]4C8 | [O][=C][N][C][C][C@@H1][Ring1][Branch1][N][C][C][C@@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=C][C][=N][C][=C][N][Ring1][Branch1][C][=Ring1][=Branch2][C@@H1][Ring1][#C][C][Ring2][Ring1][Ring1] | N16CC[C@@H]2CN5[C@@H]2C1.c17ccc2nccn2c1.O=C1NCC[C@@H]16.C57=O | [O][=C][N][C][C][CH1][Branch][N][C][C][CH1][C][N][Branch][C][=Branch][=O][pop][C][C][=C][C][=N][C][=C][N][Branch][C][=Ring1][N][pop][Ring1][Branch][pop][CH1][Branch][C][Ring2][Ring1][=Branch][pop][Ring2][Ring1][C][pop][Ring1][Branch] |
CCN(CC)[C@@H]1CCN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C1 | CCNCC))[C@@H]CCNC=O)C=C[C@@H]O)[C@@H]O)[C@H]O)C6)))))))C5 | [C][C][N][Branch1][Ring1][C][C][C@@H1][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C][Ring1][=Branch2][C][Ring1][S] | C3(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1.[C@@H]16CCN3C1.N456.CC4.C5C | [C][C][N][Branch][C][C][pop][CH1][C][C][N][Branch][C][=Branch][=O][pop][C][=C][CH1][Branch][O][pop][CH1][Branch][O][pop][CH1][Branch][O][pop][C][Ring1][N][pop][C][Ring2][Ring1][Ring1] |
Cc1nnc([C@@H](C)NC(=O)[C@@H](C)Cc2ccccc2C)s1 | Ccnnc[C@@H]C)NC=O)[C@@H]C)Ccccccc6C))))))))))))s5 | [C][C][=N][N][=C][Branch2][Ring1][Branch2][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][Ring2][Ring1][Ring2] | c16ccccc1C.Cc1nnc5s1.C3(=O)[C@@H](C)C6.[C@H]45C.N34 | [C][C][=N][N][=C][Branch][CH1][Branch][C][pop][N][C][=Branch][=O][pop][CH1][Branch][C][pop][C][C][=C][C][=C][C][=C][Branch][C][pop][Ring1][=Branch][pop][S][Ring2][Ring1][#Branch] |
CN(C[C@H](O)CNC(=O)C1CC1)C(=O)Cc1ccc(F)cn1 | CNC[C@H]O)CNC=O)CCC3))))))))C=O)CccccF)cn6 | [C][N][Branch1][P][C][C@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1] | c17ccc(F)cn1.C4[C@H](O)C5.C3(=O)C7.CN34.C26=O.C16CC1.N25 | [C][N][Branch][C][CH1][Branch][O][pop][C][N][C][=Branch][=O][pop][C][C][C][Ring1][Ring1][pop][C][=Branch][=O][pop][C][C][=C][C][=C][Branch][F][pop][C][=N][Ring1][#Branch] |
CO[C@@](C)(CN1C(=O)[C@H]2CS(=O)(=O)CCN2C1=O)C1CC1 | CO[C@@]C)CNC=O)[C@H]CS=O)=O)CCN6C9=O)))))))))))CCC3 | [C][O][C@@][Branch1][C][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C@H1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][N][Ring1][Branch2][C][Ring1][N][=O][C][C][C][Ring1][Ring1] | N14C(=O)[C@H]2CS(=O)(=O)CCN2C1=O.[C@@]35(C)C4.C15CC1.CO3 | [C][O][C][Branch][C][pop][Branch][C][N][C][=Branch][=O][pop][CH1][C][S][=Branch][=O][pop][=Branch][=O][pop][C][C][N][Branch][C][=Branch][=O][pop][Ring1][#C][pop][Ring1][O][pop][C][C][C][Ring1][Ring1] |
CN(C)C(=O)CC(=O)NC[C@H]1CCN(c2ccc3nccnc3n2)C1 | CNC)C=O)CC=O)NC[C@H]CCNccccnccnc6n%10))))))))))C5 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][C@H1][C][C][N][Branch1][#C][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][Ring1][#C] | c17ccc2nccnc2n1.C4(=O)CC5=O.[C@H]18CCN7C1.CN4C.N56.C68 | [C][N][Branch][C][pop][C][=Branch][=O][pop][C][C][=Branch][=O][pop][N][C][CH1][C][C][N][Branch][C][=C][C][=C][N][=C][C][=N][C][=Branch][=N][Ring1][=N][pop][Ring1][=Branch][pop][C][Ring2][Ring1][C] |
CCO[C@H](CC)C(=O)NCC1(NC(=O)c2cnnn2C)CC1 | CCO[C@H]CC))C=O)NCCNC=O)ccnnn5C))))))))CC3 | [C][C][O][C@H1][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=N][N][Ring1][Branch1][C][C][C][Ring1][N] | [C@@H]6(CC)C3=O.c19cnnn1C.C18%10CC1.C49=O.CC5.O56.N37.C7%10.N48 | [C][C][O][CH1][Branch][C][C][pop][C][=Branch][=O][pop][N][C][C][Branch][N][C][=Branch][=O][pop][C][=C][N][=N][N][Branch][C][pop][Ring1][Branch][pop][C][C][Ring1][#C] |
C#CCCCNC(=O)C(=O)Nc1cc(-n2cccc2)ccc1F | C#CCCCNC=O)C=O)Nccc-ncccc5)))))ccc6F | [C][#C][C][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][=C][C][=C][Ring1][O][F] | c16cc7ccc1F.C#CCCC5.C3(=O)C4=O.n17cccc1.N35.N46 | [C][#C][C][C][C][N][C][=Branch][=O][pop][C][=Branch][=O][pop][N][C][=C][C][Branch][N][C][=C][C][=C][Ring1][Branch][pop][=C][C][=C][Branch][F][pop][Ring1][=C] |
CC[C@](O)(C(=O)OCCOCCO)c1cccc(Cl)c1 | CC[C@]O)C=O)OCCOCCO))))))))cccccCl)c6 | [C][C][C@][Branch1][C][O][Branch1][N][C][=Branch1][C][=O][O][C][C][O][C][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | CC[C@]6(O)C2=O.c16cccc(Cl)c1.C3C4.C5CO.O23.O45 | [C][C][C][Branch][O][pop][Branch][C][=Branch][=O][pop][O][C][C][O][C][C][O][pop][C][=C][C][=C][C][Branch][Cl][pop][=C][Ring1][#Branch] |
CN(C)[C@@H](CNc1cnccn1)c1ccccc1Cl | CNC)[C@@H]CNccnccn6))))))))cccccc6Cl | [C][N][Branch1][C][C][C@@H1][Branch1][O][C][N][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c15ccccc1Cl.c14cnccn1.[C@@H]25C3.CN2C.N34 | [C][N][Branch][C][pop][CH1][Branch][C][N][C][=C][N][=C][C][=N][Ring1][=Branch][pop][C][=C][C][=C][C][=C][Branch][Cl][pop][Ring1][=Branch] |
C[C@H](O)CNCCCN(C)C(=O)c1ccc(O)nc1 | C[C@H]O)CNCCCNC)C=O)ccccO)nc6 | [C][C@H1][Branch1][C][O][C][N][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][N][=C][Ring1][#Branch1] | c16ccc(O)nc1.C[C@H](O)C3.C4CC5.N25C.C26=O.N34 | [C][CH1][Branch][O][pop][C][N][C][C][C][N][Branch][C][pop][C][=Branch][=O][pop][C][=C][C][=C][Branch][O][pop][N][=C][Ring1][#Branch] |
CCCC(=O)N1CCC[C@@H]([C@H]2CCN(CCC3CCOCC3)C2)C1 | CCCC=O)NCCC[C@@H][C@H]CCNCCCCCOCC6))))))))C5)))))C6 | [C][C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch2][Ring1][Ring2][C@H1][C][C][N][Branch1][O][C][C][C][C][C][O][C][C][Ring1][=Branch1][C][Ring1][=N][C][Ring2][Ring1][Ring1] | N14CCC[C@@H]([C@H]2CCN5C2)C1.C16CCOCC1.CCCC4=O.C5C6 | [C][C][C][C][=Branch][=O][pop][N][C][C][C][CH1][Branch][CH1][C][C][N][Branch][C][C][C][C][C][O][C][C][Ring1][=Branch][pop][C][Ring1][S][pop][C][Ring2][Ring1][=Branch] |
CN(C(=O)c1ccncn1)C1CN(C(=O)c2ccccn2)C1 | CNC=O)cccncn6)))))))CCNC=O)cccccn6)))))))C4 | [C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=N][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N] | c16ccncn1.c17ccccn1.C15CN4C1.CN35.C36=O.C47=O | [C][N][Branch][C][=Branch][=O][pop][C][=C][C][=N][C][=N][Ring1][=Branch][pop][C][C][N][Branch][C][=Branch][=O][pop][C][=C][C][=C][C][=N][Ring1][=Branch][pop][C][Ring1][#C] |
CC(=O)N1CCC(N(CCO)CCc2ccnn2C)CC1 | CC=O)NCCCNCCO)))CCcccnn5C)))))))))CC6 | [C][C][=Branch1][C][=O][N][C][C][C][Branch1][P][N][Branch1][Ring2][C][C][O][C][C][C][=C][C][=N][N][Ring1][Branch1][C][C][C][Ring2][Ring1][C] | N13CCC6CC1.c17ccnn1C.CC3=O.N456.C4CO.C5C7 | [C][C][=Branch][=O][pop][N][C][C][C][Branch][N][Branch][C][C][O][pop][C][C][C][=C][C][=N][N][Branch][C][pop][Ring1][Branch][pop][C][C][Ring2][Ring1][Branch] |
CCOC1CN(c2cc(C)ncc2-c2nn[nH]n2)C1 | CCOCCNcccC)ncc6-cnn[nH]n5)))))))))))C4 | [C][C][O][C][C][N][Branch2][Ring1][Ring1][C][=C][C][Branch1][C][C][=N][C][=C][Ring1][#Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][Ring1][S] | c15cc(C)ncc16.C14CN5C1.c16nn[nH]n1.CC3.O34 | [C][C][O][C][C][N][Branch][C][=C][C][Branch][C][pop][=N][C][=C][Branch][C][N][=N][N][N][=Ring1][Branch][pop][Ring1][#Branch][pop][C][Ring2][Ring1][Ring1] |
CNCCN(C)[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O | CNCCNC)[C@@H]CCNcccccc6CF)F)F))))))))C5=O | [C][N][C][C][N][Branch1][C][C][C@@H1][C][C][N][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#C][=O] | [C@@H]15CCN7C1=O.c17ccccc16.C6(F)(F)F.C3C4.N45C.CN3 | [C][N][C][C][N][Branch][C][pop][CH1][C][C][N][Branch][C][=C][C][=C][C][=C][Branch][C][Branch][F][pop][Branch][F][pop][F][pop][Ring1][=Branch][pop][C][=Branch][=O][pop][Ring2][Ring1][C] |
COc1ccc(CN[C@@H]2CCN(C(=O)CC(C)C)C2)cc1C | COccccCN[C@@H]CCNC=O)CCC)C))))C5)))))))cc6C | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C@@H1][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][Ring1][O][C][=C][Ring2][Ring1][Ring1][C] | c14ccc7cc1C.[C@@H]16CCN3C1.C3(=O)CC(C)C.CO4.C57.N56 | [C][O][C][=C][C][=C][Branch][C][N][CH1][C][C][N][Branch][C][=Branch][=O][pop][C][C][Branch][C][pop][C][pop][C][Ring1][=C][pop][C][=C][Branch][C][pop][Ring2][Ring1][=Branch] |
Cc1ccc(C)c(CN[C@H](Cc2c[nH]c3cccnc23)C(=O)O)c1 | CccccC)cCN[C@H]Ccc[nH]ccccnc96))))))))))C=O)O)))))c6 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=Branch2][C][N][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][N][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][=C][Ring2][Ring1][#Branch1] | c17c[nH]c2cccnc12.Cc1ccc(C)c6c1.[C@@H]5(C7)C(=O)O.C46.N45 | [C][C][=C][C][=C][Branch][C][pop][C][Branch][C][N][CH1][Branch][C][C][=C][N][C][=C][C][=C][N][=C][Ring1][N][Ring1][=Branch][pop][C][=Branch][=O][pop][O][pop][=C][Ring2][Ring1][=N] |
Cc1nn[nH]c1C(=O)NCC(C)(C)CN(C)C(=O)CCn1cnnn1 | Ccnn[nH]c5C=O)NCCC)C)CNC)C=O)CCncnnn5 | [C][C][N][=N][NH1][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][N][C][=N][N][=N][Ring1][Branch1] | Cc1nn[nH]c16.C4C(C)(C)C5.C3(=O)CC7.n17cnnn1.C26=O.N35C.N24 | [C][C][N][=N][N][C][Branch][C][=Branch][=O][pop][N][C][C][Branch][C][pop][Branch][C][pop][C][N][Branch][C][pop][C][=Branch][=O][pop][C][C][N][C][=N][N][=N][Ring1][Branch][pop][=Ring1][Branch] |
COc1cc(Nc2ccc(S(C)(=O)=O)cc2F)ccc1C#N | COcccNccccSC)=O)=O))cc6F))))))))ccc6C#N | [C][O][C][=C][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][F][=C][C][=C][Ring2][Ring1][C][C][#N] | c15ccc(S(C)(=O)=O)cc1F.c13cc4ccc1C#N.CO3.N45 | [C][O][C][=C][C][Branch][N][C][=C][C][=C][Branch][S][Branch][C][pop][=Branch][=O][pop][=O][pop][C][=C][Branch][F][pop][Ring1][=N][pop][=C][C][=C][Branch][C][#N][pop][Ring2][Ring1][Branch] |
CCc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@H](C)CC | CCccccC=O)O))cc6S=O)=O)N[C@@H]C)CC | [C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][C] | c15ccc4cc1S3(=O)=O.[C@H]2(C)CC.C4(=O)O.CC5.N23 | [C][C][C][=C][C][=C][Branch][C][=Branch][=O][pop][O][pop][C][=C][Branch][S][=Branch][=O][pop][=Branch][=O][pop][N][CH1][Branch][C][pop][C][C][pop][Ring1][N] |
Cc1nc2sccn2c1C(=O)NCCNCc1nccn1C | Ccncsccn5c8C=O)NCCNCcnccn5C | [C][C][N][=C][S][C][=C][N][Ring1][Branch1][C][=Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][C][C][=N][C][=C][N][Ring1][Branch1][C] | Cc1nc2sccn2c17.c18nccn1C.C37=O.C4C5.N34.N56.C68 | [C][C][N][=C][S][C][=C][N][Branch][C][Branch][C][=Branch][=O][pop][N][C][C][N][C][C][=N][C][=C][N][Branch][C][pop][Ring1][Branch][pop][=Ring1][O][pop][Ring1][Branch] |
CCc1nc(C)cc(N2C[C@@H](CNC(=O)CNC(N)=O)[C@@H](O)C2)n1 | CCcncC)ccNC[C@@H]CNC=O)CNCN)=O)))))))[C@@H]O)C5)))))n6 | [C][C][C][=N][C][Branch1][C][C][=C][C][Branch2][Ring1][#Branch2][N][C][C@@H1][Branch1][=C][C][N][C][=Branch1][C][=O][C][N][C][Branch1][C][N][=O][C@@H1][Branch1][C][O][C][Ring1][#C][=N][Ring2][Ring1][=Branch1] | c18nc7cc(C)n1.N17C[C@@H]9[C@@H](O)C1.C3(=O)C6.C4(N)=O.CC8.C59.N35.N46 | [C][C][C][=N][C][Branch][C][pop][=C][C][Branch][N][C][CH1][Branch][C][N][C][=Branch][=O][pop][C][N][C][Branch][N][pop][=O][pop][CH1][Branch][O][pop][C][Ring2][Ring1][C][pop][=N][Ring2][Ring1][N] |
CC(C)(C)NCCNC1CCC(C(F)(F)F)CC1 | CCC)C)NCCNCCCCCF)F)F))CC6 | [C][C][Branch1][C][C][Branch1][C][C][N][C][C][N][C][C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch2] | C15CCC6CC1.CC2(C)C.C6(F)(F)F.C3C4.N23.N45 | [C][C][Branch][C][pop][Branch][C][pop][N][C][C][N][C][C][C][C][Branch][C][Branch][F][pop][Branch][F][pop][F][pop][C][C][Ring1][=N] |
CC(C)[C@H](CCN(C)C(=O)[C@@H]1CCCN1C(N)=O)NCCF | CCC)[C@H]CCNC)C=O)[C@@H]CCCN5CN)=O)))))))))))NCCF | [C][C][Branch1][C][C][C@H1][Branch2][Ring1][#Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][Branch1][C][N][=O][N][C][C][F] | CC(C)[C@@H]4CC5.[C@@H]17CCCN13.N25C.C27=O.C3(N)=O.C6CF.N46 | [C][C][Branch][C][pop][CH1][Branch][C][C][N][Branch][C][pop][C][=Branch][=O][pop][CH1][C][C][C][N][Branch][C][Branch][N][pop][=O][pop][Ring1][Branch][pop][N][C][C][F] |
CC[C@@H](C)NC(=O)[C@H](C)Nc1ccc2sc(C)nc2c1 | CC[C@@H]C)NC=O)[C@H]C)NccccscC)nc5c9 | [C][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=C][C][=C][S][C][Branch1][C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c16ccc2sc(C)nc2c1.C3(=O)[C@@H]5C.CC[C@H]4C.N34.N56 | [C][C][CH1][Branch][C][pop][N][C][=Branch][=O][pop][CH1][Branch][C][pop][N][C][=C][C][=C][S][C][Branch][C][pop][=N][C][=Branch][=C][Ring1][=N][pop][Ring1][=Branch] |
CCN(Cc1ccc(N(C)C)cc1)C(=O)CCC1CC1 | CCNCccccNC)C))cc6)))))))C=O)CCCCC3 | [C][C][N][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Ring1] | c17ccc5cc1.C2(=O)CC6.N234.N5(C)C.C16CC1.CC3.C47 | [C][C][N][Branch][C][C][=C][C][=C][Branch][N][Branch][C][pop][C][pop][C][=C][Ring1][N][pop][C][=Branch][=O][pop][C][C][C][C][C][Ring1][Ring1] |
CN(C(=O)[C@@H]1CCNC(=O)C1)C1CN(CC(=O)N2CCC2)C1 | CNC=O)[C@@H]CCNC=O)C6)))))))CCNCC=O)NCCC4))))))C4 | [C][N][Branch1][S][C][=Branch1][C][=O][C@@H1][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][C][C][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring2][C][Ring1][O] | [C@@H]17CCNC(=O)C1.C16CN5C1.C5C4=O.N14CCC1.CN36.C37=O | [C][N][Branch][C][=Branch][=O][pop][CH1][C][C][N][C][=Branch][=O][pop][C][Ring1][#Branch][pop][C][C][N][Branch][C][C][=Branch][=O][pop][N][C][C][C][Ring1][Ring2][pop][C][Ring1][=C] |
CN(C)CCNC(=S)Nc1c(F)cccc1F | CNC)CCNC=S)NccF)cccc6F | [C][N][Branch1][C][C][C][C][N][C][=Branch1][C][=S][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] | c14c(F)cccc1F.N3C(=S)N4.CN2C.C2C3 | [C][N][Branch][C][pop][C][C][N][C][=Branch][=S][pop][N][C][=C][Branch][F][pop][C][=C][C][=C][Branch][F][pop][Ring1][#Branch] |
C[C@@H](C#N)c1ccc(NC(=O)c2cccnn2)cc1 | C[C@@H]C#N))ccccNC=O)ccccnn6))))))))cc6 | [C][C@@H1][Branch1][Ring1][C][#N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=N][Ring1][=Branch1][C][=C][Ring1][#C] | c16ccc4cc1.c15cccnn1.C[C@H]6C#N.C35=O.N34 | [C][CH1][Branch][C][#N][pop][C][=C][C][=C][Branch][N][C][=Branch][=O][pop][C][=C][C][=C][N][=N][Ring1][=Branch][pop][C][=C][Ring2][Ring1][C] |
O=C(NCc1ccc(-c2ccccc2)o1)c1ccccn1 | O=CNCcccc-cccccc6))))))o5)))))))cccccn6 | [O][=C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][C][=C][C][=N][Ring1][=Branch1] | c16ccc7o1.c17ccccc1.c15ccccn1.O=C35.N34.C46 | [O][=C][Branch][N][C][C][=C][C][=C][Branch][C][=C][C][=C][C][=C][Ring1][=Branch][pop][O][Ring1][=C][pop][C][=C][C][=C][C][=N][Ring1][=Branch] |
Cc1ncc(CC(=O)N2C[C@H]3CN(Cc4nonc4C)C[C@@]3(C)C2)o1 | CcnccCC=O)NC[C@H]CNCcnonc5C)))))))C[C@@]5C)C8))))))))))o5 | [C][C][=N][C][=C][Branch2][Ring1][S][C][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch1][#Branch2][C][C][=N][O][N][=C][Ring1][Branch1][C][C][C@@][Ring1][N][Branch1][C][C][C][Ring1][S][O][Ring2][Ring1][Branch2] | N15C[C@H]2CN6C[C@@]2(C)C1.Cc1ncc7o1.c18nonc1C.C7C5=O.C68 | [C][C][=N][C][=C][Branch][C][C][=Branch][=O][pop][N][C][CH1][C][N][Branch][C][C][=N][O][N][=C][Branch][C][pop][Ring1][Branch][pop][C][C][Branch][C][pop][Branch][C][Ring2][Ring1][Ring1][pop][Ring1][#C][pop][O][Ring2][Ring1][=C] |
C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1NC(=O)CN1C(=O)CCC1=O | C[C@@H]CNC=O)CN)=O)))CC[C@H]6NC=O)CNC=O)CCC5=O | [C][C@@H1][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][N][=O][C][C][C@H1][Ring1][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O] | C[C@@H]1CN2CC[C@H]14.N15C(=O)CCC1=O.C2(=O)C(N)=O.C3(=O)C5.N34 | [C][CH1][C][N][Branch][C][=Branch][=O][pop][C][Branch][N][pop][=O][pop][C][C][CH1][Branch][N][C][=Branch][=O][pop][C][N][C][=Branch][=O][pop][C][C][C][=Branch][=O][pop][Ring1][=Branch][pop][Ring1][=C] |
CO[C@@H](C)CN1CCC[C@@H]1CNC(=O)Cc1ccsc1 | CO[C@@H]C)CNCCC[C@@H]5CNC=O)Ccccsc5 | [C][O][C@@H1][Branch1][C][C][C][N][C][C][C][C@@H1][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][C][=C][S][C][=Ring1][Branch1] | N14CCC[C@@H]16.c17ccsc1.[C@H]3(C)C4.C2(=O)C7.CO3.C56.N25 | [C][O][CH1][Branch][C][pop][C][N][C][C][C][CH1][Branch][C][N][C][=Branch][=O][pop][C][C][C][=C][S][C][=Ring1][Branch][pop][Ring1][Branch] |
CC(=O)N1C[C@H](CNCc2cc(=O)oc3cc(C)ccc23)C[C@H]1C | CC=O)NC[C@H]CNCccc=O)occcC)ccc%106)))))))))))))C[C@H]5C | [C][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][Branch2][C][N][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][N][Ring1][#Branch1][C][C@H1][Ring2][Ring1][Ring2][C] | c18cc(=O)oc2cc(C)ccc12.N14C[C@H]7C[C@H]1C.CC4=O.C57.N56.C68 | [C][C][=Branch][=O][pop][N][C][CH1][Branch][C][N][C][C][=C][C][=Branch][=O][pop][O][C][=C][C][Branch][C][pop][=C][C][=C][Ring1][#C][Ring1][#Branch][pop][C][CH1][Branch][C][pop][Ring2][Ring1][#Branch] |
CCCC[C@@H](CNC(=O)C1=COCCO1)NC(=O)C(C)(C)CC | CCCC[C@@H]CNC=O)C=COCCO6)))))))))NC=O)CC)C)CC | [C][C][C][C][C@@H1][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][O][C][C][O][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C] | C2(=O)C1=COCCO1.CCCC[C@H]4C5.C3(=O)C(C)(C)CC.N25.N34 | [C][C][C][C][CH1][Branch][C][N][C][=Branch][=O][pop][C][=C][O][C][C][O][Ring1][=Branch][pop][N][C][=Branch][=O][pop][C][Branch][C][pop][Branch][C][pop][C][C] |
C[C@H]1CN(C(=O)C(C)(C)c2cccc(F)c2)C[C@@H]1NCCF | C[C@H]CNC=O)CC)C)cccccF)c6))))))))C[C@@H]5NCCF | [C][C@H1][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C@@H1][Ring1][P][N][C][C][F] | C[C@H]1CN3C[C@@H]15.c16cccc(F)c1.C3(=O)C6(C)C.C4CF.N45 | [C][CH1][C][N][Branch][C][=Branch][=O][pop][C][Branch][C][pop][Branch][C][pop][C][=C][C][=C][C][Branch][F][pop][=C][Ring1][#Branch][pop][C][CH1][Branch][N][C][C][F][pop][Ring2][Ring1][Ring2] |
C#CCCN1C[C@@H](O)[C@H](NC(=O)c2c(C)n[nH]c2C)C1 | C#CCCNC[C@@H]O)[C@H]NC=O)ccC)n[nH]c5C))))))))C5 | [C][#C][C][C][N][C][C@@H1][Branch1][C][O][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][C][Ring1][S] | N14C[C@@H]5[C@H](O)C1.c16c(C)n[nH]c1C.C#CCC4.C36=O.N35 | [C][#C][C][C][N][C][CH1][Branch][O][pop][CH1][Branch][N][C][=Branch][=O][pop][C][C][Branch][C][pop][=N][N][C][Branch][C][pop][=Ring1][=Branch][pop][C][Ring2][Ring1][Ring1] |
C[C@@H](C(N)=O)N(C)[C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1 | C[C@@H]CN)=O))NC)[C@@H]CCNC=O)CCnncnC)c5=O)))))))))C5 | [C][C@@H1][Branch1][=Branch1][C][Branch1][C][N][=O][N][Branch1][C][C][C@@H1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][N][N][=C][N][Branch1][C][C][C][Ring1][=Branch1][=O][C][Ring1][S] | n16ncn(C)c1=O.[C@@H]15CCN3C1.C[C@H]4C(N)=O.C3(=O)CC6.N45C | [C][CH1][Branch][C][Branch][N][pop][=O][pop][N][Branch][C][pop][CH1][C][C][N][Branch][C][=Branch][=O][pop][C][C][N][N][=C][N][Branch][C][pop][C][=Branch][=O][pop][Ring1][=Branch][pop][C][Ring2][Ring1][Ring1] |
COc1cc(NC(=O)NC(C)(CO)CO)ccn1 | COcccNC=O)NCC)CO))CO))))))ccn6 | [C][O][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][Ring1][C][O][C][O][=C][C][=N][Ring1][S] | c14cc6ccn1.C5(C)(CO)CO.C23=O.CO4.N26.N35 | [C][O][C][=C][C][Branch][N][C][=Branch][=O][pop][N][C][Branch][C][pop][Branch][C][O][pop][C][O][pop][=C][C][=N][Ring2][Ring1][Ring1] |
COCCCCC(=O)NC[C@H](C)Nc1cc(C)nc(C(C)C)n1 | COCCCCC=O)NC[C@H]C)NcccC)ncCC)C))n6 | [C][O][C][C][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][N][C][=C][C][Branch1][C][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][#Branch2] | c16cc(C)nc7n1.C3CCCC2=O.C4[C@@H]5C.C7(C)C.CO3.N24.N56 | [C][O][C][C][C][C][C][=Branch][=O][pop][N][C][CH1][Branch][C][pop][N][C][=C][C][Branch][C][pop][=N][C][Branch][C][Branch][C][pop][C][pop][=N][Ring1][=N] |
C[C@H](CC(N)=O)C(=O)NCC1(O)CN(CCn2cncn2)C1 | C[C@H]CCN)=O)))C=O)NCCO)CNCCncncn5)))))))C4 | [C][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][N][Branch1][#Branch2][C][C][N][C][=N][C][=N][Ring1][Branch1][C][Ring1][N] | C[C@H](CC(N)=O)C3=O.C17(O)CN5C1.n16cncn1.C5C6.N34.C47 | [C][CH1][Branch][C][C][Branch][N][pop][=O][pop][C][=Branch][=O][pop][N][C][C][Branch][O][pop][C][N][Branch][C][C][N][C][=N][C][=N][Ring1][Branch][pop][C][Ring1][#C] |
CC(C)(C)n1cc(C(=O)N2CCC[C@H](O)[C@H]2C(=O)O)nn1 | CCC)C)nccC=O)NCCC[C@H]O)[C@H]6C=O)O)))))))))nn5 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][C][O][C@H1][Ring1][#Branch1][C][=Branch1][C][=O][O][N][=N][Ring1][P] | N13CCC[C@H](O)[C@H]14.n16cc5nn1.CC6(C)C.C35=O.C4(=O)O | [C][C][Branch][C][pop][Branch][C][pop][N][C][=C][Branch][C][=Branch][=O][pop][N][C][C][C][CH1][Branch][O][pop][CH1][Branch][C][=Branch][=O][pop][O][pop][Ring1][#Branch][pop][N][=N][Ring2][Ring1][Ring2] |
CCC(=O)Nc1ccc(NC(=O)NCCc2cnccn2)cc1 | CCC=O)NccccNC=O)NCCccnccn6)))))))))))cc6 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c17ccc8cc1.c19cnccn1.CCC3=O.C45=O.C6C9.N37.N48.N56 | [C][C][C][=Branch][=O][pop][N][C][=C][C][=C][Branch][N][C][=Branch][=O][pop][N][C][C][C][=C][N][=C][C][=N][Ring1][=Branch][pop][C][=C][Ring2][Ring1][Branch] |
NC(=O)c1ccc(NC(=O)c2cccc(C(F)(F)F)c2O)cn1 | NC=O)ccccNC=O)cccccCF)F)F))c6O)))))))))cn6 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][O][C][=N][Ring2][Ring1][Ring2] | c16cccc7c1O.c15ccc4cn1.C7(F)(F)F.NC5=O.C36=O.N34 | [N][C][=Branch][=O][pop][C][=C][C][=C][Branch][N][C][=Branch][=O][pop][C][=C][C][=C][C][Branch][C][Branch][F][pop][Branch][F][pop][F][pop][=C][Branch][O][pop][Ring1][=N][pop][C][=N][Ring2][Ring1][#Branch] |
CCOCCC(=O)NC[C@@H](C)N(C)C(=O)Cn1nccn1 | CCOCCC=O)NC[C@@H]C)NC)C=O)Cnnccn5 | [C][C][O][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][N][=C][C][=N][Ring1][Branch1] | C5CC2=O.n18nccn1.C6[C@H]7C.C3(=O)C8.N37C.CC4.O45.N26 | [C][C][O][C][C][C][=Branch][=O][pop][N][C][CH1][Branch][C][pop][N][Branch][C][pop][C][=Branch][=O][pop][C][N][N][=C][C][=N][Ring1][Branch] |
COC(=O)NCC(=O)N1C[C@@H](NCCc2ccc(C)cc2)C[C@@H]1C | COC=O)NCC=O)NC[C@@H]NCCccccC)cc6)))))))))C[C@@H]5C | [C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C@@H1][Ring1][#C][C] | N15C[C@@H]8C[C@@H]1C.c19ccc(C)cc1.C6C5=O.C34=O.C7C9.CO3.N46.N78 | [C][O][C][=Branch][=O][pop][N][C][C][=Branch][=O][pop][N][C][CH1][Branch][N][C][C][C][=C][C][=C][Branch][C][pop][C][=C][Ring1][#Branch][pop][C][CH1][Branch][C][pop][Ring2][Ring1][C] |
O=C1NCc2ccnc(N3[C@H]4CC[C@@H](C4)[C@H]3C(=O)N3CCCC3)c21 | O=CNCcccncN[C@H]CC[C@@H]C5)[C@H]6C=O)NCCCC5))))))))))))c69 | [O][=C][N][C][C][=C][C][=N][C][Branch2][Ring1][=Branch2][N][C@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][Branch1][C@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring2][Ring1][Ring2][Ring2][Ring1][#Branch1] | O=C1NCc2ccnc6c21.N16[C@H]2CC[C@@H](C2)[C@H]17.N15CCCC1.C57=O | [O][=C][N][C][C][=C][C][=N][C][Branch][N][CH1][C][C][CH1][Branch][C][Ring1][Branch][pop][CH1][Branch][C][=Branch][=O][pop][N][C][C][C][C][Ring1][Branch][pop][Ring1][#Branch][pop][=C][Ring2][Ring1][=N][Ring2][Ring1][#Branch] |
CC1CCN(Cn2cc(-c3ccccc3)cn2)CC1 | CCCCNCncc-cccccc6))))))cn5))))))CC6 | [C][C][C][C][N][Branch2][Ring1][Ring1][C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][O][C][C][Ring2][Ring1][C] | CC1CCN(C4)CC1.n14cc5cn1.c15ccccc1 | [C][C][C][C][N][Branch][C][N][C][=C][Branch][C][=C][C][=C][C][=C][Ring1][=Branch][pop][C][=N][Ring1][=C][pop][C][C][Ring2][Ring1][Branch] |
C=CCOCC(=O)N[C@@H]1CCN(C(=O)Cc2cc(C)on2)CC1(C)C | C=CCOCC=O)N[C@@H]CCNC=O)CcccC)on5)))))))CC6C)C | [C][=C][C][O][C][C][=Branch1][C][=O][N][C@@H1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][C][Ring1][#C][Branch1][C][C][C] | [C@@H]17CCN4CC1(C)C.c18cc(C)on1.C6C3=O.C4(=O)C8.C=CC5.O56.N37 | [C][=C][C][O][C][C][=Branch][=O][pop][N][CH1][C][C][N][Branch][C][=Branch][=O][pop][C][C][C][=C][Branch][C][pop][O][N][=Ring1][=Branch][pop][C][C][Branch][C][pop][Branch][C][pop][Ring2][Ring1][C] |
C[C@@H]1CN(CC[C@@H](C)F)CCN1c1nccn2cnnc12 | C[C@@H]CNCC[C@@H]C)F))))CCN6cnccncnnc95 | [C][C@@H1][C][N][Branch1][Branch2][C][C][C@@H1][Branch1][C][C][F][C][C][N][Ring1][O][C][=N][C][=C][N][C][=N][N][=C][Ring1][=Branch2][Ring1][Branch1] | c14nccn2cnnc12.C[C@@H]1CN3CCN14.C3C[C@@H](C)F | [C][CH1][C][N][Branch][C][C][CH1][Branch][C][pop][F][pop][C][C][N][Branch][C][=N][C][=C][N][C][=N][N][=C][Ring1][N][Ring1][Branch][pop][Ring1][=C] |
Cc1cc(C)c(C(=O)NCCNCCCc2cccc(F)c2)o1 | CcccC)cC=O)NCCNCCCcccccF)c6))))))))))))))o5 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][C][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][Ring2][Ring1][=Branch1] | Cc1cc(C)c7o1.c18cccc(F)c1.C6CC8.C37=O.C4C5.N34.N56 | [C][C][=C][C][Branch][C][pop][=C][Branch][C][=Branch][=O][pop][N][C][C][N][C][C][C][C][=C][C][=C][C][Branch][F][pop][=C][Ring1][#Branch][pop][O][Ring2][Ring1][N] |
C[C@H]1C[C@H](O)CN1Cc1ccc(-c2ccc(F)cc2)o1 | C[C@H]C[C@H]O)CN5Ccccc-ccccF)cc6))))))o5 | [C][C@H1][C][C@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][N] | C[C@H]1C[C@H](O)CN13.c15ccc(F)cc1.c14ccc5o1.C34 | [C][CH1][C][CH1][Branch][O][pop][C][N][Branch][C][C][=C][C][=C][Branch][C][=C][C][=C][Branch][F][pop][C][=C][Ring1][#Branch][pop][O][Ring1][#C][pop][Ring1][=Branch] |
CN1C(=O)CC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1cnsn1 | CNC=O)CC[C@H]5C=O)NCCC[C@H]5CNC=O)ccnsn5 | [C][N][C][=Branch1][C][=O][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][=N][S][N][=Ring1][Branch1] | CN1C(=O)CC[C@H]15.N12CCC[C@H]17.c16cnsn1.C25=O.C36=O.C47.N34 | [C][N][C][=Branch][=O][pop][C][C][CH1][Branch][C][=Branch][=O][pop][N][C][C][C][CH1][Branch][C][N][C][=Branch][=O][pop][C][C][=N][S][N][=Ring1][Branch][pop][Ring1][Branch][pop][Ring1][=Branch] |
C[C@@H]1C[C@H]1C(=O)N1CCC2(CCN(C(=O)C(C)(C)C(F)F)CC2)C1 | C[C@@H]C[C@H]3C=O)NCCCCCNC=O)CC)C)CF)F))))CC6)))))C5 | [C][C@@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#Branch2][C][C][N][Branch1][P][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][F][F][C][C][Ring1][=C][C][Ring2][Ring1][C] | N13CCC2(CCN4CC2)C1.C4(=O)C(C)(C)C(F)F.C[C@@H]1C[C@H]15.C35=O | [C][CH1][C][CH1][Branch][C][=Branch][=O][pop][N][C][C][C][Branch][C][C][N][Branch][C][=Branch][=O][pop][C][Branch][C][pop][Branch][C][pop][C][Branch][F][pop][F][pop][C][C][Ring1][P][pop][C][Ring2][Ring1][Branch][pop][Ring1][Ring1] |
CC[C@@](C)(NC(=O)C#Cc1cccs1)c1nc(C)cs1 | CC[C@@]C)NC=O)C#Cccccs5)))))))))cncC)cs5 | [C][C][C@@][Branch1][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][#C][C][=C][C][=C][S][Ring1][Branch1][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1] | C2(=O)C#Cc1cccs1.c14nc(C)cs1.CC[C@@]34C.N23 | [C][C][C][Branch][C][pop][Branch][N][C][=Branch][=O][pop][C][#C][C][=C][C][=C][S][Ring1][Branch][pop][C][=N][C][Branch][C][pop][=C][S][Ring1][=Branch] |
C[C@@]1(C(=O)NC2CN(C[C@@H]3CCNC(=O)CC3)C2)CCNC1=O | C[C@@]C=O)NCCNC[C@@H]CCNC=O)CC7))))))))C4))))))CCNC5=O | [C][C@@][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][C@@H1][C][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch2][C][Ring1][=N][C][C][N][C][Ring2][Ring1][Branch1][=O] | [C@@H]18CCNC(=O)CC1.C[C@@]17CCNC1=O.C16CN5C1.C47=O.N46.C58 | [C][C][Branch][C][=Branch][=O][pop][N][C][C][N][Branch][C][CH1][C][C][N][C][=Branch][=O][pop][C][C][Ring1][O][pop][C][Ring1][S][pop][C][C][N][C][=Branch][=O][pop][Ring2][Ring1][O] |
Cc1n[nH]c(C)c1CC(=O)N1CC[C@@H]1CNC(=O)c1ccc[nH]1 | Ccn[nH]cC)c5CC=O)NCC[C@@H]4CNC=O)cccc[nH]5 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C@@H1][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1] | Cc1n[nH]c(C)c17.N12CC[C@@H]16.c15ccc[nH]1.C7C2=O.C35=O.C46.N34 | [C][C][=N][N][C][Branch][C][pop][=C][Branch][C][C][=Branch][=O][pop][N][C][C][CH1][Branch][C][N][C][=Branch][=O][pop][C][=C][C][=C][N][Ring1][Branch][pop][Ring1][Ring2][pop][Ring1][=Branch] |
COc1ccc(C(=O)NC[C@H]2CCCC2(F)F)cc1 | COccccC=O)NC[C@H]CCCC5F)F)))))))))cc6 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C][C][Ring1][Branch1][Branch1][C][F][F][C][=C][Ring1][P] | c14ccc6cc1.[C@H]17CCCC1(F)F.C36=O.CO4.N35.C57 | [C][O][C][=C][C][=C][Branch][C][=Branch][=O][pop][N][C][CH1][C][C][C][C][Branch][F][pop][Branch][F][pop][Ring1][Branch][pop][C][=C][Ring2][Ring1][Ring2] |
CSC1CC(NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)C1 | CSCCCNC[C@]CccccF)cc6)))))))CCC[C@H]5O))))))))C4 | [C][S][C][C][C][Branch2][Ring1][=Branch2][N][C][C@][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][C@H1][Ring1][=N][O][C][Ring2][Ring1][Ring2] | [C@@]167CCC[C@H]1O.c18ccc(F)cc1.C19CC5C1.CS9.N45.C46.C78 | [C][S][C][C][C][Branch][N][C][C][Branch][C][C][=C][C][=C][Branch][F][pop][C][=C][Ring1][#Branch][pop][C][C][C][CH1][Branch][O][pop][Ring1][S][pop][C][Ring2][Ring1][#Branch] |
CNC[C@@H](C)C(=O)N1CC(C)(C)[C@H]1c1cccs1 | CNC[C@@H]C)C=O)NCCC)C)[C@H]4ccccs5 | [C][N][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C@H1][Ring1][=Branch1][C][=C][C][=C][S][Ring1][Branch1] | N12CC(C)(C)[C@H]14.C3[C@@H](C)C2=O.c14cccs1.CN3 | [C][N][C][CH1][Branch][C][pop][C][=Branch][=O][pop][N][C][C][Branch][C][pop][Branch][C][pop][CH1][Branch][C][=C][C][=C][S][Ring1][Branch][pop][Ring1][=Branch] |
N#Cc1cnc(NC[C@H]2C[C@H](NC(=O)Cn3c(O)nnc3O)C2)cn1 | N#CccncNC[C@H]C[C@H]NC=O)CncO)nnc5O)))))))))C4))))))cn6 | [N][#C][C][=C][N][=C][Branch2][Ring1][=N][N][C][C@H1][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][N][C][Branch1][C][O][=N][N][=C][Ring1][=Branch1][O][C][Ring1][#C][C][=N][Ring2][Ring1][#Branch1] | N#Cc1cnc6cn1.n18c(O)nnc1O.[C@H]19C[C@H]7C1.C4(=O)C8.N56.C59.N47 | [N][#C][C][=C][N][=C][Branch][N][C][CH1][C][CH1][Branch][N][C][=Branch][=O][pop][C][N][C][Branch][O][pop][=N][N][=C][Branch][O][pop][Ring1][=Branch][pop][C][Ring2][Ring1][C][pop][C][=N][Ring2][Ring1][=N] |
CCN(C(=O)c1cnc(C2CC2)s1)C1CN(CCn2cncn2)C1 | CCNC=O)ccncCCC3)))s5))))))CCNCCncncn5)))))))C4 | [C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2][C][C][N][Branch1][#Branch2][C][C][N][C][=N][C][=N][Ring1][Branch1][C][Ring1][O] | c17cnc9s1.C16CN5C1.n18cncn1.N346.C37=O.C19CC1.C5C8.CC4 | [C][C][N][Branch][C][=Branch][=O][pop][C][=C][N][=C][Branch][C][C][C][Ring1][Ring1][pop][S][Ring1][O][pop][C][C][N][Branch][C][C][N][C][=N][C][=N][Ring1][Branch][pop][C][Ring1][=C] |
Cc1cccc(C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3CN(C)CCO3)C2)n1 | CcccccC=O)N[C@H]C[C@H]CNC=O)[C@H]CNC)CCO6)))))))))C4))))))n6 | [C][C][=C][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@H1][C][C@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C@H1][C][N][Branch1][C][C][C][C][O][Ring1][#Branch1][C][Ring1][#C][=N][Ring2][Ring1][Branch2] | Cc1cccc9n1.[C@H]18CN(C)CCO1.[C@H]17C[C@H]%10C1.C49=O.C58=O.N47.C6%10.N56 | [C][C][=C][C][=C][C][Branch][C][=Branch][=O][pop][N][CH1][C][CH1][Branch][C][N][C][=Branch][=O][pop][CH1][C][N][Branch][C][pop][C][C][O][Ring1][#Branch][pop][C][Ring2][Ring1][C][pop][=N][Ring2][Ring1][=C] |
N#Cc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CNC(=O)C1 | N#CcccF)ccc6NC=O)C=O)N[C@@H]CNC=O)C5 | [N][#C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@@H1][C][N][C][=Branch1][C][=O][C][Ring1][=Branch1] | N#Cc1cc(F)ccc14.[C@@H]15CNC(=O)C1.C2(=O)C3=O.N24.N35 | [N][#C][C][=C][C][Branch][F][pop][=C][C][=C][Branch][N][C][=Branch][=O][pop][C][=Branch][=O][pop][N][CH1][C][N][C][=Branch][=O][pop][C][Ring1][=Branch][pop][Ring1][#Branch] |
C=CCNC(=O)[C@@H](C)N1CCC(C2CCCCC2)CC1 | C=CCNC=O)[C@@H]C)NCCCCCCCCC6))))))CC6 | [C][=C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][C][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N] | N15CCC(C2CCCCC2)CC1.C3(=O)[C@H]5C.C=CC4.N34 | [C][=C][C][N][C][=Branch][=O][pop][CH1][Branch][C][pop][N][C][C][C][Branch][C][C][C][C][C][C][Ring1][=Branch][pop][C][C][Ring1][#C] |
NC(=O)N1CC[C@@H](CNC(=O)/C=C\c2ccco2)C1 | NC=O)NCC[C@@H]CNC=O)/C=C\cccco5))))))))))C5 | [N][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][S][C][N][C][=Branch1][C][=O][/C][=C][\C][=C][C][=C][O][Ring1][Branch1][C][Ring1][S] | N13CC[C@@H]7C1.C=6c1ccco1.C4(=O)C=6.NC3=O.C57.N45 | [N][C][=Branch][=O][pop][N][C][C][CH1][Branch][C][N][C][=Branch][=O][pop][/C][=C][\C][=C][C][=C][O][Ring1][Branch][pop][C][Ring2][Ring1][Ring1] |
COc1ccnc(-c2cnccc2C(F)(F)F)c1C#N | COcccnc-ccnccc6CF)F)F))))))))c6C#N | [C][O][C][=C][C][=N][C][Branch1][P][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][S][C][#N] | c13ccnc5c1C#N.c15cnccc14.C4(F)(F)F.CO3 | [C][O][C][=C][C][=N][C][Branch][C][=C][N][=C][C][=C][Branch][C][Branch][F][pop][Branch][F][pop][F][pop][Ring1][=Branch][pop][=C][Branch][C][#N][pop][Ring2][Ring1][Ring1] |
COCCN1CC(=O)N(Cc2ccc(CCN(C)C)cc2)C1=O | COCCNCC=O)NCccccCCNC)C))))cc6)))))))C5=O | [C][O][C][C][N][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=C][Ring1][O][C][Ring2][Ring1][C][=O] | N15CC(=O)N6C1=O.c17ccc8cc1.C3C5.C8C4.N4(C)C.CO3.C67 | [C][O][C][C][N][C][C][=Branch][=O][pop][N][Branch][C][C][=C][C][=C][Branch][C][C][N][Branch][C][pop][C][pop][C][=C][Ring1][=C][pop][C][=Branch][=O][pop][Ring2][Ring1][Branch] |
CO[C@H](C)CC(=O)N(CCO)CCNC(=O)c1cnn(C)c1N | CO[C@H]C)CC=O)NCCO)))CCNC=O)ccnnC)c5N | [C][O][C@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][N] | c18cnn(C)c1N.[C@@H]4(C)CC2=O.N256.C5CO.C6C7.C38=O.CO4.N37 | [C][O][CH1][Branch][C][pop][C][C][=Branch][=O][pop][N][Branch][C][C][O][pop][C][C][N][C][=Branch][=O][pop][C][C][=N][N][Branch][C][pop][C][Branch][N][pop][=Ring1][=Branch] |
O=C(N[C@H]1[C@H]2CN[C@H]1C2)c1csc(Br)n1 | O=CN[C@H][C@H]CN[C@H]5C5)))))))ccscBr)n5 | [O][=C][Branch1][N][N][C@H1][C@H1][C][N][C@H1][Ring1][Branch1][C][Ring1][Branch1][C][=C][S][C][Branch1][C][Br][=N][Ring1][=Branch1] | [C@H]14[C@H]2CN[C@H]1C2.c15csc(Br)n1.O=C35.N34 | [O][=C][Branch][N][CH1][CH1][C][N][CH1][Branch][C][Ring1][Branch][pop][Ring1][Branch][pop][C][=C][S][C][Branch][Br][pop][=N][Ring1][=Branch] |
C[C@H]1C[C@H](NC(=O)CN2CCCC2)CN1C(=O)c1cnn[nH]1 | C[C@H]C[C@H]NC=O)CNCCCC5))))))))CN5C=O)ccnn[nH]5 | [C][C@H1][C][C@H1][Branch1][=C][N][C][=Branch1][C][=O][C][N][C][C][C][C][Ring1][Branch1][C][N][Ring1][=C][C][=Branch1][C][=O][C][=C][N][=N][NH1][Ring1][Branch1] | C[C@H]1C[C@H]6CN14.N15CCCC1.c17cnn[nH]1.C3(=O)C5.C47=O.N36 | [C][CH1][C][CH1][Branch][N][C][=Branch][=O][pop][C][N][C][C][C][C][Ring1][Branch][pop][C][N][Branch][C][=Branch][=O][pop][C][=C][N][=N][N][Ring1][Branch][pop][Ring1][P] |
C[C@@H](NCCN(C)C(=O)COc1cccnc1)C(=O)NC(N)=O | C[C@@H]NCCNC)C=O)COccccnc6)))))))))))))C=O)NCN)=O | [C][C@@H1][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][N][=O] | c16cccnc1.C[C@@H]7C3=O.C2(=O)C5.C8C9.N29C.C4(N)=O.N78.O56.N34 | [C][CH1][Branch][N][C][C][N][Branch][C][pop][C][=Branch][=O][pop][C][O][C][=C][C][=C][N][=C][Ring1][=Branch][pop][C][=Branch][=O][pop][N][C][Branch][N][pop][=O] |
CCOCCN1CCN(C(=O)C(=O)N[C@H]2CCNC2)CC1 | CCOCCNCCNC=O)C=O)N[C@H]CCNC5))))))))CC6 | [C][C][O][C][C][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@H1][C][C][N][C][Ring1][Branch1][C][C][Ring1][S] | N17CCN3CC1.C3(=O)C4=O.[C@H]18CCNC1.C6C7.CC5.O56.N48 | [C][C][O][C][C][N][C][C][N][Branch][C][=Branch][=O][pop][C][=Branch][=O][pop][N][CH1][C][C][N][C][Ring1][Branch][pop][C][C][Ring2][Ring1][Ring1] |
CCC(=O)NC[C@H]1CCN1CCCS(=O)(=O)N(C)C | CCC=O)NC[C@H]CCN4CCCS=O)=O)NC)C | [C][C][C][=Branch1][C][=O][N][C][C@H1][C][C][N][Ring1][Ring2][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C] | C4CCS5(=O)=O.[C@H]16CCN14.CCC2=O.N5(C)C.N23.C36 | [C][C][C][=Branch][=O][pop][N][C][CH1][C][C][N][Branch][C][C][C][S][=Branch][=O][pop][=Branch][=O][pop][N][Branch][C][pop][C][pop][Ring1][Ring2] |
CCC[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)c2cc(C)cc(F)c2)C1 | CCC[C@@H]C[C@H]3C=O)NCCO)CNC=O)cccC)ccF)c6)))))))C4 | [C][C][C][C@@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring1][#C] | c17cc(C)cc(F)c1.C19(O)CN4C1.[C@@H]18C[C@H]16.CCC8.C36=O.C47=O.N35.C59 | [C][C][C][CH1][C][CH1][Branch][C][=Branch][=O][pop][N][C][C][Branch][O][pop][C][N][Branch][C][=Branch][=O][pop][C][=C][C][Branch][C][pop][=C][C][Branch][F][pop][=C][Ring1][O][pop][C][Ring2][Ring1][C][pop][Ring1][Ring1] |
N#Cc1cccc(CCC(=O)N2CCC3(CC2)CNC(=O)CO3)c1 | N#CcccccCCC=O)NCCCCC6))CNC=O)CO6))))))))))))c6 | [N][#C][C][=C][C][=C][C][Branch2][Ring1][O][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][O][Ring1][=Branch2][=C][Ring2][Ring1][=Branch1] | N14CCC2(CC1)CNC(=O)CO2.N#Cc1cccc5c1.C5CC4=O | [N][#C][C][=C][C][=C][C][Branch][C][C][C][=Branch][=O][pop][N][C][C][C][Branch][C][C][Ring1][=Branch][pop][C][N][C][=Branch][=O][pop][C][O][Ring1][N][pop][=C][Ring2][Ring1][N] |
CC(C)[C@@H]1CCC[C@@H](NC(=O)[C@@]2(C)CCNC2=O)C1 | CCC)[C@@H]CCC[C@@H]NC=O)[C@@]C)CCNC5=O))))))))C6 | [C][C][Branch1][C][C][C@@H1][C][C][C][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][N][C][Ring1][=Branch1][=O][C][Ring1][S] | [C@@H]16CCC[C@@H]4C1.[C@]15(C)CCNC1=O.CC6C.C35=O.N34 | [C][C][Branch][C][pop][CH1][C][C][C][CH1][Branch][N][C][=Branch][=O][pop][C][Branch][C][pop][C][C][N][C][=Branch][=O][pop][Ring1][=Branch][pop][C][Ring2][Ring1][Ring1] |
CC(=O)N1CC(NC(=O)CCCn2ccnc2C)C1 | CC=O)NCCNC=O)CCCnccnc5C)))))))))))C4 | [C][C][=Branch1][C][=O][N][C][C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][C][Ring1][S] | C4(=O)CCC6.n16ccnc1C.N13CC5C1.CC3=O.N45 | [C][C][=Branch][=O][pop][N][C][C][Branch][N][C][=Branch][=O][pop][C][C][C][N][C][=C][N][=C][Branch][C][pop][Ring1][Branch][pop][C][Ring2][Ring1][Ring1] |
Cc1cc(OCC(=O)N[C@@H]2CCCN(C(=O)Cn3ccnc3)C2)no1 | CcccOCC=O)N[C@@H]CCCNC=O)Cnccnc5)))))))C6))))))))))no5 | [C][C][=C][C][Branch2][Ring1][=C][O][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][N][C][=C][N][=C][Ring1][Branch1][C][Ring1][=C][=N][O][Ring2][Ring1][Branch2] | [C@@H]18CCCN5C1.Cc1cc7no1.n19ccnc1.C6C4=O.C5(=O)C9.O67.N48 | [C][C][=C][C][Branch][O][C][C][=Branch][=O][pop][N][CH1][C][C][C][N][Branch][C][=Branch][=O][pop][C][N][C][=C][N][=C][Ring1][Branch][pop][C][Ring1][P][pop][=N][O][Ring2][Ring1][=C] |
N#Cc1cncc(NCCCn2cc(CO)nn2)n1 | N#CccnccNCCCnccCO))nn5)))))))))n6 | [N][#C][C][=C][N][=C][C][Branch1][S][N][C][C][C][N][C][=C][Branch1][Ring1][C][O][N][=N][Ring1][#Branch1][=N][Ring1][P] | N#Cc1cncc4n1.n15cc6nn1.C3CC5.N34.C6O | [N][#C][C][=C][N][=C][C][Branch][N][C][C][C][N][C][=C][Branch][C][O][pop][N][=N][Ring1][#Branch][pop][=N][Ring2][Ring1][Ring2] |
CCN(CCNc1ccc(C)cc1[N+](=O)[O-])C(=O)c1scnc1C | CCNCCNccccC)cc6[N+]=O)[O-])))))))))))C=O)cscnc5C | [C][C][N][Branch2][Ring1][Ring2][C][C][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][C][=Branch1][C][=O][C][S][C][=N][C][=Ring1][Branch1][C] | c16ccc(C)cc1[N+](=O)[O-].c17scnc1C.N234.C4C5.C27=O.CC3.N56 | [C][C][N][Branch][C][C][N][C][=C][C][=C][Branch][C][pop][C][=C][Branch][NH0+1][=Branch][=O][pop][OH0-1][pop][Ring1][#Branch][pop][C][=Branch][=O][pop][C][S][C][=N][C][Branch][C][pop][=Ring1][Branch] |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.