Compound Name

SMILES String

Cc1nc(C)c(s1)C(=O)\C=C1\Nc2ccccc2NC1=O

COc1ccccc1N1C(=S)NC(=O)\C(=C\c2cc3ccccc3n2Cc2ccccc2)C1=O

[O-][N+](=O)c1ccc(Cn2c(\C=C3\C(=O)NC(=S)N(CC=C)C3=O)cc3ccccc23)cc1

Cc1ccc(cc1)S(=O)(=O)N1C(=O)\C(=C2/SC(=S)NC2=O)c2ccccc12

CC(=O)NN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)C1=O

Cc1c(oc2ccccc12)C(=O)NC(=S)Nc1ccc2oc(nc2c1)-c1ccccc1Cl

[O-][N+](=O)c1ccc(-c2ccc(\C=C3/SC(=N)NC3=O)o2)c(Br)c1

O=C1N(C2CCS(=O)(=O)C2)C(=S)S\C1=C/c1cn(nc1-c1cccs1)-c1ccccc1

[#6]-[#8]-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)cc1-[#8]-[#6]-c1ccccc1Cl

CN(C)c1ccc(\C=C2/SC(=S)NC2=O)cc1

CCOC(=O)C1=C(Nc2ccc(cc2)[N+]([O-])=O)S\C(=C/c2ccc(cc2)N(C)C)C1=O |c:5|

COc1ccc(\C=C2\C=C(OC2=O)c2ccccc2)c(OC)c1 |c:8|

COc1ccc(\C=C2/SC(=S)NC2=O)cc1I

COc1ccc(cc1)S(=O)(=O)N1C(=O)\C(=C2/SC(=S)N(CC=C)C2=O)c2ccccc12

CCOC(=O)C1=C(Nc2ccc(OC)cc2)S\C(=C/c2ccc(cc2)N(C)C)C1=O |c:5|

Cc1ccsc1\C=C1/SC(=S)N(CC2CCCO2)C1=O

CCOC(=O)c1ccc(cc1)-c1ccc(\C=C2\C(=O)NC(=O)N(CC=C)C2=O)o1

C\C(=N/NC(=O)c1cc(n[nH]1)C1CC1)c1ccc(C)cc1

COc1ccc2c3ccc(OCC(C)=C)cc3oc(=O)c2c1

COc1cc(cc(OC)c1OC)-c1nnc(SCC(=O)c2ccc(F)cc2)n1-c1ccccc1

SC1=NC(=O)C(S1)=Cc1ccc(Cl)cc1 |w:7.8,t:1|

CCN1C(=S)S\C(=C/c2ccccc2)C1=O

COc1ccc(\C=C2/SC(=S)N(NC(C)=O)C2=O)cc1

OC(=O)c1ccccc1N\N=C1/C=C(OC1=O)c1ccccc1 |c:13|

CCN1C(=S)S\C(=C/c2cc(Cc3ccccc3Cl)ccc2O)C1=O

O\C(=C/c1nc2ccccc2nc1O)c1cccs1

CN1C(=O)N(C(=O)\C(=C/c2cc3ccccc3n2CC(O)=O)C1=O)c1ccc(C)cc1

Oc1ccc(\C=N\NC(=O)c2[nH]c3ccc(cc3c2-c2ccccc2)[N+]([O-])=O)c(O)c1

CC(=O)NN1C(=S)S\C(=C/c2ccc(Br)o2)C1=O

[#6]-c1cc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)c(-[#6])n1-[#6]

CCN1C(=S)S\C(=C/c2ccccc2O)C1=O

CC(N1C(=S)S\C(=C/c2sccc2C)C1=O)c1ccccc1

CCN1C(=S)S\C(=C/c2cccc3ccccc23)C1=O

CC(=O)c1ccc(Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1

Cn1c(\C=C2\C(=O)NC(=S)N(CC=C)C2=O)cc2ccccc12

CN(C)c1ccc(\C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)o1

O=C(Cn1c(\C=C2\C(=O)NC(=S)N(C2=O)c2ccccc2)cc2ccccc12)Nc1ccccc1

Brc1cccc(c1)N1C(=S)NC(=O)\C(=C\c2ccco2)C1=O

Fc1cccc(c1)N1C(=O)NC(=O)\C(=C\c2cc3ccccc3n2CC(=O)Nc2ccccc2)C1=O

CN1C(=O)N(C(=O)\C(=C/c2cc3ccccc3n2CC(O)=O)C1=O)c1ccc(Cl)cc1

Oc1cc(\C=C2\N=C(OC2=O)c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl |c:6|

[#6]-c1ccc(-[#8]-[#6]-[#6]-n2c(\[#6]=[#6]-3/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-3=O)cc3ccccc23)cc1-[#6]

Cc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1cc2OCOc2cc1Br |t:8|

Fc1ccc(\C=N\NC(=O)c2cc(n[nH]2)-c2ccc3ccccc3c2)cc1

CCN1C(=S)S\C(=C/c2ccc(Cl)cc2)C1=O

[#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6]\c2cccn2-c2cccc(c2)-[#7+](-[#8-])=O)-[#6]-1=O

CCN1C(=S)S\C(=C/c2ccc(OC)cc2)C1=O

COc1ccc(cc1)N1C(=O)NC(=O)\C(=C\c2ccc(o2)-c2cccc(Cl)c2)C1=O

CN1C(=O)N(C)C(=O)C(=Cc2c(C)[nH]n(-c3ccccc3)c2=O)C1=O |(-4.54,-12.64,;-3.92,-14.05,;-4.82,-15.3,;-6.35,-15.14,;-4.2,-16.7,;-5.1,-17.95,;-2.66,-16.86,;-2.04,-18.27,;-1.76,-15.62,;-.23,-15.78,;.68,-14.53,;2.22,-14.53,;3.12,-15.78,;2.69,-13.07,;1.45,-12.16,;1.45,-10.62,;2.78,-9.85,;2.78,-8.31,;1.45,-7.54,;.11,-8.31,;.11,-9.85,;.2,-13.07,;-1.26,-12.59,;-2.39,-14.21,;-1.91,-12.75,)|

CCN1C(=S)S\C(=C/c2ccnc3ccccc23)C1=O

CC(=O)\N=C1/NC(=O)\C(S1)=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O

Cc1ccc(cc1)N1C(=S)NC(=O)\C(=C\c2cc3ccccc3[nH]2)C1=O

Oc1ccccc1C=C1SC(S)=NC1=O |w:7.7,c:12|

COc1ccc(\C=C2/SC(=S)N(N)C2=O)cc1

NC(N=NCc1ccc(o1)-c1cccc(c1)[N+]([O-])=O)=N[N+]([O-])=O |w:19.21,3.3|

COc1ccc(C=C2SC(S)=NC2=O)cc1 |w:6.5,c:10|

NNC(=O)c1cc2ccccc2cc1NS(=O)(=O)c1ccccc1

COc1ccc(OC)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)c1

COc1cc(OC)c(\C=N\n2c(S)nnc2-c2ccc(C)cc2)cc1OC