Compound Name

SMILES String

Cn1c2nc(OCCNCCC3CN(C(=O)O3)c3ccc4OCC(=O)Nc4n3)ccc2ncc1=O

Cn1c2nc(OCCNCCC3CN(C(=O)O3)c3ccc4OCC(=O)Nc4n3)cnc2ccc1=O

Cn1c2nc(OCCNC[C@H]3CN(C(=O)O3)c3ccc4OCC(=O)Nc4n3)ccc2ncc1=O |r|

Cn1c2nc(OCCNC[C@@H]3CN(C(=O)O3)c3ccc4OCC(=O)Nc4n3)ccc2ncc1=O |r|

Cn1c2nc(OCCNC[C@H]3CN(C(=O)O3)c3ccc4OCC(=O)Nc4n3)cnc2ccc1=O |r|

Cn1c2nc(OCCNC[C@H]3CN(C(=O)O3)c3cnc4OCC(=O)Nc4n3)ccc2ncc1=O |r|

c1c2c(cc(c1F)N3CCNCC3)N(C=C(C2=O)C(=O)O)C4CC4

CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(cc1)N1CCC(=N1)c1ccccc1 |c:5,24|

Cc1ccccc1NC1=C\C(=N\S(=O)(=O)c2ccc(cc2)C(O)=O)c2ccccc2C1=O |t:9|

CNc1nnc(-c2ccc(C)cc2)c2ccccc12

Cc1cc2C(=NNc3ccc(cc3)C(O)=O)C(O)=Nc2c(C)c1 |w:5.5,c:18|

Cc1cc(-c2csc(N)n2)c(C)n1-c1ccccc1

CCOC(=O)c1cc(nn1-c1ccccc1C(O)=O)-c1ccc(cc1)N1CCOCC1

CCn1c(N)[n+](CC(=O)Nc2ccc(SC(F)F)cc2)c2ccccc12

CSc1nc(SCC(O)=O)c2sc3nc(c4CCCc4c3c2n1)-c1ccccc1

OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1nc(n[nH]1)-c1ccccc1

OC(=O)c1ccc(\C=C(/C#N)c2nc3sc4CCCCc4c3c(=O)[nH]2)cc1 |w:6.6|

Cc1cccc(\N=C2\NC(=O)\C(S2)=C/C=C/c2ccco2)c1C

Cc1c(CCC(O)=O)c(=O)oc2cc3occ(-c4ccc(Cl)cc4)c3cc12

O=C(Nc1cccc(c1)C1=NCCN1)Nc1cccc(c1)C1=NCCN1 |t:10,24|

Cc1n[nH]c(SC(Cc2ccc(o2)-c2cccc(Cl)c2)C([O-])=O)[nH+]1

Cc1ccc2nc3n(C\C(=C\c4ccc(o4)-c4ccccc4C(O)=O)S3=O)c2c1C

OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2nc3ccccc3s2)C1=O

c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)C(=O)O)C2=O

Cc1cc(\C=C2/SC(=S)N=C2O)c(C)n1-c1cccc(O)c1 |c:9|

[#6]-[#7]-1-[#6](=S)-[#7](-[#6])-[#6](=O)\[#6](=[#6]\c2ccc(-[#16]-c3ccccc3)o2)-[#6]-1=O

OC(=O)CCCCCN1C(=S)S\C(=C\c2ccc(o2)-c2ccc(Cl)cc2)C1=O

OC(=O)C1Nc2ccccc2C2C=CCC12 |c:13|

CC(C)(C)N1C(=O)N=C(O)\C(=C/c2ccc3N(CCCCl)CCc3c2)C1=O |t:7|

O=C1N\C(S\C1=C\c1ccco1)=N/c1ccc2ccccc2c1

OC(=O)CCCN1C(=S)S\C(=C/c2ccc(o2)-c2nc3ccccc3s2)C1=O

Cc1cc2C3CC=CC3C(N3CC4CC=CC4c(c1)c23)C(O)=O |c:6,15|

Cc1ccc(NC2=NC(=O)\C(S2)=C\C=C\c2ccco2)cc1 |t:6|

Cc1ccc(cc1C)\N=C1\S\C(=C/C=C/c2ccco2)C(O)=N1 |c:23|

CC(C)(CS([O-])(=O)=O)NC(=O)CC[N+](C)(C)CCO

OC(=O)c1ccc(NN=C\C=C\c2ccc(o2)[N+]([O-])=O)cc1 |w:7.7,9.9|

Cc1cc(\C=C2/SC(=S)N=C2O)c(C)n1-c1ccccc1 |c:9|

Cc1cc(\C=C2\SC(=S)N(C2=O)c2cccc(Cl)c2)c(C)n1-c1cccnc1

Cc1c(CCC(O)=O)c(=O)oc2cc3occ(-c4ccc(Br)cc4)c3cc12

Cc1onc(c1C(=O)Nc1sccc1C#N)-c1ccccc1

Oc1ccc(\C=N\N2C(=S)S\C(=C\c3ccc(O)cc3)C2=O)cc1

OC(=O)CCNc1ccc(NCCC(O)=O)c2C(=O)c3ccccc3C(=O)c12

OC(=O)c1cccc(c1)-c1ccc(\C=c2\sc3nc4ccccc4n3c2=O)o1

C(=Cc1nc2ccccc2[nH]1)c1ccco1 |w:0.12|

OC(=O)c1cc(ccc1Cl)N1N=C(\C(=C\C=C\c2ccco2)C1=O)C(F)(F)F |c:12|

Oc1ccccc1C(=O)NN1C(=S)S\C(=C\C=C\c2ccco2)C1=O

Cc1c(CCC(O)=O)c(=O)oc2c(C)c3occ(-c4ccc(Br)cc4)c3cc12

CCOc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccc(cc1)N1CCOCC1

C1CCN(C1)c1nc(Nc2ccccc2)nc2ccccc12

OC1=NC(=O)N(Cc2ccc(F)cc2)C(=O)\C1=C/c1ccc(cc1)N1CCCC1 |t:1|

COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(cc1)C(O)=O

O=[#6](\[#6](=[#6]/c1ccccc1)-[#7]1-[#6]=[#6]-[#6]=[#6]\[#6]-1=[#6](\C#N)C#N)-c1cccs1 |w:4.3,c:12,14|

CCc1ccc(cc1)S(=O)(=O)\N=C1\C=C(Nc2ccc(cc2)C(O)=O)C(=O)c2ccccc12 |t:14|

Cc1cc(C)c2sc(NC(=O)C3CC3)nc2c1

Nc1c(sc2nc(cc(-c3ccco3)c12)-c1ccccc1)C#N

COc1cccc(c1)-n1c(C)cc(\C=C2/C(=O)N=C3SN=C(N3C2=N)S(C)=O)c1C |c:21,t:18|

Cc1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12

Oc1ccc(\C=C2/SC(=S)N(Cc3cccnc3)C2=O)cc1

COc1cc(cc(OC)c1OC)C(=O)Nc1scc(c1C(O)=O)-c1ccc(Br)cc1

CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3NCc4cccc(c4)I)Cl)O)O

COC1C(CC2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC2C1C(=O)OC)OC(=O)c1ccc(N)cc1

CCN(CC)c1ccc(C=C2SC(=S)NC2=O)cc1

NC(=N)Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1

ClC1=C(NCCc2ccccc2)C(=O)c2ccccc2C1=O |c:1|

CCN(CCCNc1cc2C(=O)c3ccccc3C(=O)c2c(N)c1S(O)(=O)=O)c1ccccc1

OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C\C=C\c2ccco2)C1=O

O=C1c2ccccc2C(=O)c2cc(ccc12)N1CCCCC1

Cc1ccc(cc1)S(=O)c1ccc([N+]([O-])=O)c2nonc12

Oc1cc(O)c(cc1\C=N\Nc1nc2ccccc2[nH]1)[N+]([O-])=O

Oc1c(Cl)cc(Cl)cc1\C=C1/SC(=S)NC1=O

COC1C(C)OC(OC2CC(C)(O)Cc3cc4C(=O)c5c6OC7OC(C)(C(O)C(C7O)N(C)C)c6cc(O)c5C(=O)c4c(O)c23)C(OC)C1(C)OC

Oc1ccc2occ(\C=C(/C#N)C(=O)\N=c3/[nH]c4ccccc4s3)c(=O)c2c1

CC1C(C(=O)C(c2ccccc2)c2ccccc2)C(=O)c2ccccc12

COC(C1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(OC3CC(O)C(OC)C(C)O3)C(O)C(C)O2)C(O)C(C)O1)C(=O)C(O)C(C)O

OC(=O)C(N1C(=S)S\C(=C\c2ccc(o2)-c2cccc(Cl)c2)C1=O)c1ccccc1

O=C(Cc1ccccc1)c1ccccn1

C[n+]1c(cn2ccccc12)-c1ccc(C=NNC(=O)c2ccc(cc2)C(=O)NN=Cc2ccc(cc2)-c2cn3ccccc3[n+]2C)cc1

COc1cc(\C=N\N=c2/[nH]c3ccccc3s2)cc(c1O)[N+]([O-])=O

CCN1C(=S)SC(=CC=CN(C)c2ccccc2)C1=O

Oc1ccc2C(=O)c3ccccc3C(=O)c2c1O

Oc1ccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1[N+]([O-])=O

CN(C)c1ccc(C=C2SC(=S)N(Cc3ccco3)C2=O)cc1

Oc1c(I)cc2c(Oc3c(I)c(O)c(I)cc3C22OC(=O)c3ccccc23)c1I

Oc1c(Br)cc(CCNC2=CC(=O)c3cccnc3C2=O)cc1Br |t:9|

[#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r|

Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O