Compound Name

SMILES String

CS(=O)(=O)Oc1cccc(Cc2cnc(N)nc2N)c1

CS(=O)(=O)Oc1ccc(Cc2cnc(N)nc2N)cc1

COc1ccc(Cc2cnc(N)nc2N)cc1OS(C)(=O)=O

CCc1cc(Cc2cnc(N)nc2N)cc(NC(C)=O)c1CO

Nc1ncc(Cc2ccc(cc2)[N+]([O-])=O)c(N)n1

Nc1ncc(Cc2ccc(OCc3ccccc3)cc2)c(N)n1

Nc1ncc(Cc2ccc3OCOc3c2)c(N)n1

CCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1-n1cccc1

COc1cc(Cc2cnc(N)nc2N)ccc1OS(C)(=O)=O

NC(=O)COc1cccc(Cc2cnc(N)nc2N)c1

CCOc1cc(Cc2cnc(N)nc2N)ccc1OCc1ccccc1

CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(CO)c2)c1 |t:3,6|

CC1(C)N=C(N)N=C(N)N1c1cccc(c1)C(N)=O |t:3,6|

CCCCCCCCCCCCCCOc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:24,27|

CC(=O)Nc1cccc(OCc2cccc(c2)N2C(N)=NC(N)=NC2(C)C)c1 |c:20,23|

COc1cccc(OCc2cccc(c2)N2C(N)=NC(N)=NC2(C)C)c1 |c:18,21|

Cc1cccc(OCc2cccc(c2)N2C(N)=NC(N)=NC2(C)C)c1 |c:17,20|

CC1(C)N=C(N)N=C(N)N1c1cccc(Cl)c1 |t:3,6|

Cc1cccc(SCc2cccc(c2)N2C(N)=NC(N)=NC2(C)C)c1 |c:17,20|

CCc1cccc(OCc2cccc(c2)N2C(N)=NC(N)=NC2(C)C)c1 |c:18,21|

CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(c2)C#N)c1 |t:3,6|

CCCCCCc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:15,18|

CC1(C)N=C(N)N=C(N)N1c1cccc(F)c1 |t:3,6|

CC(C)(C)c1cccc(OCc2cccc(c2)N2C(N)=NC(N)=NC2(C)C)c1 |c:20,23|

CCCCCCCCCCCCOc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:22,25|

CC1(C)N=C(N)N=C(N)N1c1cccc(OCCOc2cccc(c2)C(F)(F)F)c1 |t:3,6|

CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(NC(N)=S)c2)c1 |t:3,6|

CC1(C)N=C(N)N=C(N)N1c1cccc(c1)C(F)(F)F |t:3,6|

CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(NC(N)=O)c2)c1 |t:3,6|

CCCCCCCCCCCOc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:21,24|

Cc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:10,13|

CC1(C)N=C(N)N=C(N)N1c1cccc(I)c1 |t:3,6|

CC1(C)N=C(N)N=C(N)N1c1cccc(c1)C#N |t:3,6|

CCOCc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:13,16|

CC1(C)N=C(N)N=C(N)N1c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 |t:3,6|

CC1(C)N=C(N)N=C(N)N1c1cccc(OCC23CC4CC(CC(C4)C2)C3)c1 |t:3,6,TLB:24:23:26:19.18.20,24:19:26:23.25.22,20:21:25:19.18.24,THB:20:19:25:21.26.22,22:21:18:23.25.24,22:23:18:21.26.20|

CC1(C)N=C(N)N=C(N)N1c1ccccc1 |t:3,6|

CC1(C)N=C(N)N=C(N)N1c1cccc(CSc2ccccc2)c1 |t:3,6|

CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(Cl)c2)c1 |t:3,6|

CCCCOc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:14,17|

CC1(C)N=C(N)N=C(N)N1c1cccc(c1)S(N)(=O)=O |t:3,6|

CC(C)(C)c1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:13,16|

CC1(C)N=C(N)N=C(N)N1c1cccc(OCc2ccccc2)c1 |t:3,6|