steroids.sln

A program to find frequent molecular substructures and discriminative fragments in a database of mol

a,0,C[1]H:CH:C(:CH:C[8]:C:@1C[10]HCH(CH2CH2@8)C[20]HC(CH2CH2@10)(C(CH2CH2@20)(OH)C#CH)CH3)OH
b,0,C[1]H:CH:C(:CH:C[8]:C:@1C[10]HCH(CH2CH2@8)C[20]HC(CH2CH2@10)(CH(CH2CH2@20)OH)CH3)Br
c,0,C[1]H:CH:C(:CH:C[8]:C:@1C[10]HCH(CH2CH2@8)C[20]HC(CH2CH2@10)(CH(CH2CH2@20)OH)CH3)F
d,0,C[1]H:C(:C(:CH:C[7]:C:@1C[9]HCH(CH2CH2@7)C[19]HC(CH2CH2@9)(C(CH2CH2@19)(OH)C#CH)CH3)OH)OCH3
e,0,C[1]H:C(:C(:CH:C[7]:C:@1C[9]HCH(CH2CH2@7)C[19]HC(CH2CH2@9)(CH(CH2CH2@19)OH)CH3)OH)OCH3
f,0,C[1]H:C(:C(:CH:C[7]:C:@1C[9]HCH(CH2CH2@7)C[19]HC(CH2CH2@9)(CH(CH2CH2@19)OH)CH3)OCH3)OCH3
g,0,C[1]H:C(:C(:CH:C[7]:C:@1C[9]HCH(CH2CH2@7)C[19]HC(CH2CH2@9)(CH(CH(CH2@19)OH)OH)CH3)OH)OCH3
h,0,C[1]H:C(:C(:CH:C[7]:C:@1C[9]HCH(CH2CH2@7)C[19]HC(CH2CH2@9)(C(=O)CH2CH2@19)CH3)OH)OCH3
i,0,C[1]H:C(:C(:CH:C[7]:C:@1C[9]HCH(CH2CH2@7)C[19]HC(CH2CH2@9)(CH(CH2CH2@19)OH)CH3)OCH3)OH
j,0,C[1]H:CH:C(:C(:C[7]:C:@1C[9]HCH(CH2CH2@7)C[19]HC(CH2CH2@9)(CH(CH2CH2@19)OH)CH3)OCH3)OH
k,0,C[1]H2CH2CH(CH2C[12](CH2CH2C[19]HCH(C@1@12CH3)CH2CH2C[34](C[35]@19CH(CH(CH@34C[42]=CHOC(=O)CH=CH@42)OC(=O)CH3)O@35)CH3)OH)OH
l,0,C[1]H:CH:C(:CH:C[8]:C:@1C[10]HCH(CH2CH2@8)C[20]HC(CH2CH2@10)(CH(CH2CH2@20)OH)CH3)OH
m,0,C[1]H:CH:C(:CH:C[8]:C:@1C[10]HCH(CH2CH2@8)C[20]HC(CH2CH2@10)(CH(CH2CH2@20)OH)CH3)OCH3
n,0,C[1]H:CH:C(:CH:C[8]:C:@1C[10]HCH(CH2CH2@8)C[20]HC(CH2CH2@10)(CH(CH(CH2@20)OH)OH)CH3)OH
o,0,C[1]H:CH:C(:CH:C[8]:C:@1C[10]HCH(CH2CH2@8)C[20]HC(CH2CH2@10)(C(=O)CH2CH2@20)CH3)OH
p,0,C[1]H2CH2C(=O)CH=C[11]CH2CH2C[18]HCH(CH@1@11)CH2CH2C[30](CH@18CH2CH2C@30(OC(=O)CH3)C#CH)CH3
q,0,C[1]H2CH(N[6](CH3)CH2CH2CH2CH2CH2@6)CH(OC(=O)CH3)CH2C[38]HC@1(CH3)C[45]HCH(C[49]HC(CH3)(CH2CH2@45)CH(CH(N[66](CH2CH2CH2CH2CH2@66)CH3)CH2@49)OC(=O)CH3)CH2CH2@38