Compound Name

SMILES String

[H]C12CCCC([H])(CC(C1)NC(=O)c1cccc(OC)c1)N2CC(=O)Nc1ccccc1

CCCN1CCCc2cc(CN)ccc12

CCCCOC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OCC)cc2)c1C#N

CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1

Nc1c(cc(Cl)c2nonc12)N1CCCC1

CC1(C)CC(=O)C(C(=O)C1)C1(O)C(=O)NC(=O)NC1=O

Cc1ccc(CCN2CC(CC2=O)C(=O)NCCCN2CCCCCC2)cc1

O=C(NCCCN1CCCCCC1)C1CN(CCc2ccccc2)C(=O)C1

Fc1ccccc1CS(=O)(=O)Cc1ccc(o1)C(=O)NCCCN1CCCCCC1

CCN1CCCC1CNC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12

COC(=O)c1ccc(CSc2ncnc3c4ccccc4oc23)o1

O=c1[nH]c(Nc2ccccc2)cc2ccccc12

CCCc1cc(=O)[nH]c(N=C(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)Nc2ccccc2)n1 |w:9.8|

OC12OC3=C(C(=O)CCC3)C1(O)C(=O)c1ccccc21 |t:3|

c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O

O=C1C(=O)c2ccc(cc2-c2ccccc12)-c1ccccc1

Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(Cl)cc1

O=C(Nc1ccc(cc1)-c1nc2ccc(NC(=O)c3cccs3)cc2[nH]1)c1cccs1

Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1

CCOC(=O)c1c(COC)n(C)c2c1-c1cc(Br)ccc1C(=O)C2=O

CCOC(=O)c1c(C)n(C)c2c1-c1cc(Br)ccc1C(=O)C2=O

Cc1cccc(CSc2nc3CCCc3cc2C#N)c1

Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21

CC(C1CC(=O)N(C2CCCCC2)C1=O)c1ccccc1

CCOC(=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1 |t:10|

[#6]-c1ccc(cc1)-[n+]1c(-[#8])csc1-[#6-](\[#6](Cl)=[#6](\Cl)Cl)-[#7+](-[#8-])=O

Oc1ccccc1-c1nc(N2CCCC2)c2ccccc2n1

O=C1C(N2CCOCC2)=C(C(=O)c2ccccc12)n1nnc2ccccc12 |c:9|

CCN(CC)P(=O)(NC(=O)C(Cl)(Cl)Cl)N(CC)CC

[O-][N+](=O)c1c[c-](C[NH+]=Nc2nccs2)ccc1=O |w:7.6|

OC(=O)CCc1ccc(O)c(O)c1

OC(=O)c1cc2cc(O)ccc2[nH]1

CC1NC(Cc2cc(O)c(O)cc12)C(O)=O

COC(=O)c1ccccc1C1C2C=CC(=O)C(=O)C2Oc2c(O)c(O)ccc12 |c:13|

OC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12 |(-6.39,-28.75,;-5.64,-30.09,;-6.42,-31.42,;-4.1,-30.1,;-4.09,-28.56,;-2.74,-27.79,;-1.41,-28.57,;-1.42,-30.11,;-2.76,-30.87,;-2.77,-32.41,;-1.43,-33.19,;-.1,-32.42,;1.23,-33.2,;1.22,-34.74,;2.54,-35.52,;-.12,-35.5,;-1.44,-34.73,;-2.78,-35.49,;-4.11,-34.72,;-5.43,-35.48,;-6.76,-34.72,;-8.09,-35.49,;-6.76,-33.18,;-5.43,-32.4,;-4.1,-33.18,)|

Oc1ccc2c(Oc3c(O)c(O)ccc3C22OC(=O)c3c2c(Cl)c(Cl)c(Cl)c3Cl)c1O

Oc1ccc(cc1O)C(=C1CC(=O)C(=O)C=C1)c1ccccc1S(O)(=O)=O |w:8.18,c:16|

[#7]-[#8]-[#6](=O)-[#6]-1=[#6]\[#6](-[#6]=[#6]-[#6]-1=O)=[#6](\c1ccc(-[#8])c(c1)-[#6](=O)-[#8]-[#7])-c1ccc(-[#8])c(c1)-[#6](=O)-[#8]-[#7] |c:7,t:4|

Oc1cc2oc3cc(=O)c(O)cc3c(-c3ccccc3)c2cc1O

COc1ccccc1C(N1CCOCC1)c1cc2OCOc2cc1O

Oc1ccccc1C(N1CCOCC1)c1cc2OCOc2cc1O

COc1cccc(C(N2CCOCC2)c2cc3OCOc3cc2O)c1OC

COc1ccc(C(N2CCOCC2)c2cc3OCOc3cc2O)c(OC)c1OC

COc1cccc(C(N2CCCC2)c2cc3OCOc3cc2O)c1O

COc1cc(cc(OC)c1OC)C(N1CCCC1)c1cc2OCOc2cc1O

COc1ccc(cc1)C(N1CCCC1)c1cc2OCOc2cc1O

Oc1cc2OCOc2cc1C(N1CCCC1)c1ccc(F)cc1

COc1ccc(C(N2CCCCC2)c2cc3OCOc3cc2O)c(OC)c1

COc1cccc(C(N2CCN(CC2)C(c2cccc(OC)c2O)c2cc3OCOc3cc2O)c2cc3OCOc3cc2O)c1O

Oc1cc2OCOc2cc1C(N1CCN(CC1)C(c1ccc2OCOc2c1)c1cc2OCOc2cc1O)c1ccc2OCOc2c1

COc1ccc(cc1)C(N1CCN(CC1)C(c1ccc(OC)cc1)c1cc2OCOc2cc1O)c1cc2OCOc2cc1O

Oc1cc2OCOc2cc1C(N1CCOCC1)c1ccc(Cl)cc1

COc1ccc(cc1)C(N1CCCCC1)c1cc2OCOc2cc1O

CN(C)c1ccc(cc1)C(N1CCOCC1)c1cc2OCOc2cc1O

COc1ccc(cc1OC)C(N1CCCCC1)c1cc2OCOc2cc1O

COc1cc(ccc1O)C(N1CCOCC1)c1cc2OCOc2cc1O

COc1cc(cc(OC)c1OC)C(N1CCOCC1)c1cc2OCOc2cc1O

COc1cccc(C(N2CCOCC2)c2cc3OCOc3cc2O)c1O

Oc1cc2OCOc2cc1C(N1CCCCC1)c1ccc2OCOc2c1

COc1cc(cc(OC)c1OC)C(N1CCCCC1)c1cc2OCOc2cc1O

COc1ccc(cc1OC)C(N1CCOCC1)c1cc2OCOc2cc1O

Oc1cc2OCOc2cc1C(N1CCOCC1)c1ccc2OCOc2c1

COc1ccc(cc1)C(N1CCOCC1)c1cc2OCOc2cc1O

COc1ccc(C(N2CCOCC2)c2cc3OCOc3cc2O)c(OC)c1

COc1cc(OC)c(C(N2CCOCC2)c2cc3OCOc3cc2O)c(OC)c1