ic93.sln

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

Graph_257,0,N[+1](=CHC[4]:CH:CH:C(:CH:CH:@4)Cl)(O[-1])C[16]:CH:CH:C(:CH:CH:@16)SC[27]:CH:CH:CH:CH:CH:@27
Graph_258,0,N[+1](=CHC[4]:CH:CH:C(:CH:CH:@4)N(CH3)CH3)(O[-1])C[24]:CH:CH:C(:CH:CH:@24)SC[35]:CH:CH:CH:CH:CH:@35
Graph_259,0,N[+1](=CHC[4]:CH:CH:C(:CH:CH:@4)SCH3)(O[-1])C[20]:CH:CH:C(:CH:CH:@20)SC[31]:CH:CH:CH:CH:CH:@31
Graph_260,0,N[+1](=O)(O[-1])C[4]:CH:CH:C(:CH:CH:@4)CH=N[+1](O[-1])C[18]:CH:CH:C(:CH:CH:@18)SC[29]:CH:CH:CH:CH:CH:@29
Graph_261,0,N[+1](=CHC[4]:CH:CH:C(:CH:CH:@4)SC[15]:CH:CH:C(:CH:CH:@15)CH3)(O[-1])C[30]:CH:CH:C(:CH:CH:@30)SC[41]:CH:CH:CH:CH:CH:@41
Graph_262,0,N[+1](=CHC[4]:C(:CH:CH:CH:CH:@4)OH)(O[-1])C[17]:CH:CH:C(:CH:CH:@17)SC[28]:CH:CH:CH:CH:CH:@28
Graph_263,0,N[+1](=CHC[4]:C(:CH:CH:CH:CH:@4)OCH3)(O[-1])C[20]:CH:CH:C(:CH:CH:@20)SC[31]:CH:CH:CH:CH:CH:@31
Graph_264,0,N[+1](=CHC[4]:C(:CH:CH:CH:CH:@4)Cl)(O[-1])C[16]:CH:CH:C(:CH:CH:@16)SC[27]:CH:CH:CH:CH:CH:@27
Graph_265,0,N[+1](=O)(O[-1])C[4]:C(:CH:CH:CH:CH:@4)CH=N[+1](O[-1])C[18]:CH:CH:C(:CH:CH:@18)SC[29]:CH:CH:CH:CH:CH:@29
Graph_266,0,N[+1](=CHC[4]:CH:CH:C(:CH:CH:@4)N(CH3)CH3)(O[-1])C[24]:CH:CH:C(:CH:CH:@24)SCH3
Graph_267,0,N[+1](=CHC[4]:CH:CH:C(:CH:CH:@4)SCH3)(O[-1])C[20]:CH:CH:C(:CH:CH:@20)SCH3
Graph_268,0,N[+1](=O)(O[-1])C[4]:CH:CH:C(:CH:CH:@4)CH=N[+1](O[-1])C[18]:CH:CH:C(:CH:CH:@18)SCH3
Graph_269,0,N[+1](=O)(O[-1])C[4]:C(:CH:CH:CH:CH:@4)CH=N[+1](O[-1])C[18]:CH:CH:C(:CH:CH:@18)SCH3
Graph_270,0,N[1:+1](:N:O:C(:CH:@1)O[-1])C[8]:CH:CH:C(:CH:CH:@8)OCH2CH2CH3
Graph_271,0,N[1:+1](:N:O:C(:CH:@1)O[-1])C[8]:CH:CH:C(:CH:CH:@8)OCH2CH2CH2CH3
Graph_272,0,N[1:+1](:N:O:C(:CH:@1)O[-1])C[8]:CH:CH:C(:CH:CH:@8)OCH2C[22]:CH:CH:CH:CH:CH:@22
Graph_273,0,N[1:+1](:N:O:C(:CH:@1)O[-1])C[8]:CH:CH:C(:CH:CH:@8)OCH2C[22]:CH:CH:C(:CH:CH:@22)Cl
Graph_274,0,N[1:+1](:N:O:C(:CH:@1)O[-1])C[8]:CH:CH:C(:CH:CH:@8)OCH2C[22]:CH:C(:CH:CH:CH:@22)CH3
Graph_275,0,N[1:+1](:N:O:C(:C:@1C(=O)CH3)O[-1])C[13]:CH:CH:C(:CH:CH:@13)OCH2CH2CH3
Graph_276,0,N[1:+1](:N:O:C(:C:@1C(=O)CH3)O[-1])C[13]:CH:CH:C(:CH:CH:@13)OCH2CH2CH2CH3
Graph_277,0,N[1:+1](:N:O:C(:C:@1Br)O[-1])C[8]:CH:CH:C(:CH:CH:@8)OCH2CH2CH3
Graph_278,0,N[1:+1](:N:O:C(:C:@1Br)O[-1])C[8]:CH:CH:C(:CH:CH:@8)OCH2C[22]:CH:CH:CH:CH:CH:@22
Graph_279,0,N[1:+1](:N:O:C(:C:@1Br)O[-1])C[8]:CH:CH:C(:CH:CH:@8)OCH2C[22]:CH:CH:C(:CH:CH:@22)Cl
Graph_280,0,N[1:+1](:N:O:C(:C:@1Br)O[-1])C[8]:CH:CH:C(:CH:CH:@8)OCH2C[22]:CH:C(:CH:CH:CH:@22)CH3
Graph_281,0,BrC[2]:CH:CH:C(:CH:CH:@2)S(=O)(=O)NHCH2C[20]=CHC(OC[25]:C[26]:C(:CH:CH:C@20:@25):CH:CH:CH:CH:@26)=O
Graph_282,0,BrC[2]:C(:CH:C(:CH:CH:@2)Br)S(=O)(=O)NHCH2C[20]=CHC(OC[25]:C@20:C[27]:C(:CH:CH:@25):CH:CH:CH:CH:@27)=O
Graph_283,0,S(=O)(=O)(NHCH2C[9]=CHC(OC[14]:C[15]:C(:CH:CH:C@9:@14):CH:CH:CH:CH:@15)=O)C[31]:CH:CH:CH:CH:CH:@31
Graph_284,0,S(=O)(=O)(NHCH2C[9]=CHC(OC[14]:C[15]:C(:CH:CH:C@9:@14):CH:CH:CH:CH:@15)=O)C[31]:CH:CH:C(:CH:CH:@31)CH3
Graph_285,0,S(=O)(=O)(NHCH2C[9]=CHC(OC[14]:C[15]:C(:CH:CH:C@9:@14):CH:CH:CH:CH:@15)=O)C[31]:CH:CH:C(:CH:CH:@31)NHC(=O)CH3
Graph_286,0,S(=O)(=O)(NHCH2C[9]=CHC(OC[14]:C[15]:C(:CH:CH:C@9:@14):CH:CH:CH:CH:@15)=O)C[31]:CH:CH:C(:CH:CH:@31)NH2
Graph_287,0,BrC[2]:C(:CH:C(:CH:CH:@2)Br)S(=O)(=O)NHCH2C[20]=CHC(OC[25]:C[26]:C(:CH:CH:C@20:@25):CH:CH:CH:CH:@26)=O
Graph_288,0,S(=O)(=O)(NHCH2C[9]=CHC(OC[14]:C@9:C[16]:C(:CH:CH:@14):CH:CH:CH:CH:@16)=O)C[31]:CH:CH:CH:CH:CH:@31
Graph_289,0,S(=O)(=O)(NHCH2C[9]=CHC(OC[14]:C@9:C[16]:C(:CH:CH:@14):CH:CH:CH:CH:@16)=O)C[31]:CH:CH:C(:CH:CH:@31)CH3
Graph_290,0,S(=O)(=O)(NHCH2C[9]=CHC(OC[14]:C@9:C[16]:C(:CH:CH:@14):CH:CH:CH:CH:@16)=O)C[31]:CH:CH:C(:CH:CH:@31)NHC(=O)CH3
Graph_291,0,S(=O)(=O)(NHC[6]:N:CH:CH:CH:N:@6)C[15]:CH:CH:C(:CH:CH:@15)N=NC[27]:CH:CH:C(:CH:CH:@27)SC[38]:C[39]:C(:N:C(:CH:@38)CH3):CH:CH:C[53]:C:@39:CH:CH:CH:CH:@53
Graph_292,0,S(=O)(=O)(NHC[6]:N:CH:CH:CH:CH:@6)C[16]:CH:CH:C(:CH:CH:@16)N=NC[28]:CH:CH:C(:CH:CH:@28)SC[39]:C[40]:C(:N:C(:CH:@39)CH3):CH:CH:C[54]:C:@40:CH:CH:CH:CH:@54
Graph_293,0,S(=O)(=O)(NHC(=NH)NH2)C[12]:CH:CH:C(:CH:CH:@12)N=NC[24]:CH:CH:C(:CH:CH:@24)SC[35]:C[36]:C(:N:C(:CH:@35)CH3):CH:CH:C[50]:C:@36:CH:CH:CH:CH:@50
Graph_294,0,S(=O)(=O)(NHC[6]:S:C(:N:N:@6)CH3)C[15]:CH:CH:C(:CH:CH:@15)N=NC[27]:CH:CH:C(:CH:CH:@27)SC[38]:C[39]:C(:N:C(:CH:@38)CH3):CH:CH:C[53]:C:@39:CH:CH:CH:CH:@53
Graph_295,0,S(=O)(=O)(NHC[6]:N(:N:CH:CH:@6)C[13]:CH:CH:CH:CH:CH:@13)C[24]:CH:CH:C(:CH:CH:@24)N=NC[36]:CH:CH:C(:CH:CH:@36)SC[47]:C[48]:C(:N:C(:CH:@47)CH3):CH:CH:C[62]:C:@48:CH:CH:CH:CH:@62
Graph_296,0,ClC[2]:CH:CH:C(:CH:CH:@2)OCH2C(=O)N[18]:C[19]:C(:C[21]:C:@18:CH:CH:CH:CH:@21):CH:CH:CH:CH:@19
Graph_297,0,ClC[2]:C(:CH:CH:C(:CH:@2)Cl)OCH2C(=O)N[18]:C[19]:C(:C[21]:C:@18:CH:CH:CH:CH:@21):CH:CH:CH:CH:@19
Graph_298,0,N[1](:C[2]:C(:CH:CH:@1):CH:CH:CH:CH:@2)C(=O)CH(OC[21]:CH:C[24]:C(:CH:CH:@21):CH:CH:CH:CH:@24)CH3
Graph_299,0,N[1](:CH:CH:CH:CH:@1)C(=O)CH(OC[15]:CH:C[18]:C(:CH:CH:@15):CH:CH:CH:CH:@18)CH3
Graph_300,0,N[1](:CH:CH:CH:CH:@1)C(=O)CH2OC[16]:C[17]:C(:CH:CH:CH:@16):CH:CH:CH:CH:@17
Graph_301,0,ClC[2]:C(:CH:CH:CH:CH:@2)OCH2C(=O)N[18]:C[19]:C(:C[21]:C:@18:CH:CH:CH:CH:@21):CH:CH:CH:CH:@19
Graph_302,0,ClC[2]:C(:CH:C(:CH:CH:@2)Cl)OCH2C(=O)N[18]:C[19]:C(:C[21]:C:@18:CH:CH:CH:CH:@21):CH:CH:CH:CH:@19
Graph_303,0,ClC[2]:C(:C(:CH:C(:CH:@2)Cl)Cl)OCH2C(=O)N[18]:C[19]:C(:C[21]:C:@18:CH:CH:CH:CH:@21):CH:CH:CH:CH:@19
Graph_304,0,N[1](:C[2]:C(:C[4]:C:@1:CH:CH:CH:CH:@4):CH:CH:CH:CH:@2)C(=O)CH2OC[28]:C[29]:C(:CH:CH:CH:@28):CH:CH:CH:CH:@29
Graph_305,0,N[1](:C[2]:C(:C[4]:C:@1:CH:CH:CH:CH:@4):CH:CH:CH:CH:@2)C(=O)CH(OC[27]:CH:C[30]:C(:CH:CH:@27):CH:CH:CH:CH:@30)CH3
Graph_306,0,N[1](:C[2]:C(:C[4]:C:@1:CH:CH:CH:CH:@4):CH:CH:CH:CH:@2)C(=O)CH2OC[28]:CH:C[31]:C(:CH:CH:@28):CH:CH:CH:CH:@31
Graph_307,0,N[1](:C[2]:C(:CH:CH:@1):CH:CH:CH:CH:@2)C(=O)CH2OC[22]:CH:C[25]:C(:CH:CH:@22):CH:CH:CH:CH:@25
Graph_308,0,N[1](:C[2]:C(:CH:CH:@1):CH:CH:CH:CH:@2)C(=O)CH2OC[22]:C[23]:C(:CH:CH:CH:@22):CH:CH:CH:CH:@23
Graph_309,0,N[1](:CH:CH:CH:CH:@1)C(=O)CH2OC[16]:CH:C[19]:C(:CH:CH:@16):CH:CH:CH:CH:@19
Graph_310,0,N[1]:C(:O:CH:C:@1CH(OH)CH2CH(OH)CH(OH)CH(OH)CH3)CH(OC(=O)CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH(CH2CH3)CH3)C[78]:O:CH:N:CH:@78
Graph_311,0,N[1]:C(:O:CH:C:@1CH(OH)CH2CH(OH)CH(OH)CH(OH)CH3)CH(OC(=O)CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH3)C[75]:O:CH:N:CH:@75
Graph_312,0,N[1]:C(:O:CH:C:@1CH(OH)CH2CH(OH)CH(OH)CH(OH)CH3)CH(OC(=O)CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH(CH3)CH3)C[75]:O:CH:N:CH:@75
Graph_313,0,N[1]:C(:O:CH:C:@1CH(OH)CH2CH(OH)CH(OH)CH(OH)CH3)CH(OC(=O)CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH3)C[78]:O:CH:N:CH:@78
Graph_314,0,N[1]:C(:O:CH:C:@1CH(OH)CH2CH(OH)CH(OH)CH(OH)CH3)CH(OC(=O)CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH(CH2CH3)CH3)C[81]:O:CH:N:CH:@81
Graph_315,0,N[1]:C(:O:CH:C:@1CH(OH)CH2CH(OH)CH(OH)CH(OH)CH3)CH(OC(=O)CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH3)C[81]:O:CH:N:CH:@81
Graph_316,0,O[1]OCH(CH2CH2C@1(C[12]HOC[15](C(CH(CH2C[22]HCH@15CH2CH2C(=CH@22)CH3)CH3)(CH2@12)CH3)CH3)CH3)CH(CH3)C(=O)OH
Graph_317,0,N[1](:C(:N:C[4]:C:@1:C[6]:N:C(:N:C:@6:CH:CH:C:@4CH3)N(CH3)CH3)NHCH3)CH3
Graph_318,0,N[1]HCH(CH2CH2CH(CH2@1)CH3)CH(C[22]HC[24](CH(C[27]HCH(C[31](CH2CH2CH(CH2C@31=CHCH2@27)OC[50]HOCH(CH(CH(CH@50OH)OH)OH)CH2OH)CH3)CH2CH2@24)CH2CH@22OH)CH3)CH3
Graph_319,0,O(CH2CH=C(CH3)CH3)C[16]:C(:CH:C(:CH:CH:@16)CH=O)OH
Graph_320,0,BrC[2]:CH:C[5]:NH:C[8]:C(:C:@5:CH:CH:@2)CH2CH2N[21]CH@8CH2CH2CH2CH2@21
Graph_321,0,BrC[2]:CH:C[5]:N[6]:C[7]:C(:C:@5:CH:CH:@2)CH2CH2N(CH@7CH2CH2CH=CH@6)CH3
Graph_322,0,BrC[2]:CH:C[5]:N[6]:C[7]:C(:C:@5:CH:CH:@2)CH2CH2N(CH@7CH2CH2CH2CH@6OH)CH3
Graph_323,0,BrC[2]:CH:C[5]:N[6]:C[7]:C(:C:@5:CH:CH:@2)CH2CH2N(CH@7CH2CH2CH2CH@6OH)CH3
Graph_324,0,O[1]CH(CH(CH(CH(CH2@1)OH)OH)OCH3)OC[23]HCH2C[28]HC(CH2CH2@23)(C[37]=CHCH2C[43](CH(CH(CH2CH@43CH(CH2CH2CH(OH)CH(CH3)CH3)CH3)OH)C@37=CHCH2@28)CH3)CH3
Graph_325,0,O[1]CH(CH(CH(CH(CH2@1)OH)OH)OCH3)OC[23]HCH(C[27]HC(CH2CH2@23)(C[36]=CHCH2C[42](CH(CH(CH2CH@42CH(CH2CH2CH(OH)CH(CH3)CH3)CH3)OH)C@36=CHCH2@27)CH3)CH3)OH
Graph_326,0,O[1]CH(CH(CH(CH(CH2@1)OH)OH)OCH3)OC[23]HCH(C[27]HC(C[30]HCH(C[34]HC(CH(CH2CH@34OH)CH(CH2CH2CH(OH)CH(CH3)CH3)CH3)(CH2CH2@30)CH3)CH2CH@27OH)(CH2CH2@23)CH3)OH
Graph_327,0,O[1]CH(CH(CH(CH(CH2@1)OH)OH)OCH3)OC[23]HCH(C[27]HC(C[30]HC(C[33]HC(CH(CH2CH@33OH)CH(CH2CH2CH(OH)CH(CH3)CH3)CH3)(CH2CH2@30)CH3)(CH2CH@27OH)OH)(CH2CH2@23)CH3)OH
Graph_328,0,O[1]CH(CH(CH(CH(CH2@1)OH)OH)OH)OC[20]HCH2OCH(CH(CH@20OCH3)OH)OCH2CH2CH(CH(CH3)CH3)CH2CH2CH(C[66]HC[68](CH(C[71](CH(C[74](CH(CH(CH(CH2CH2@74)OH)OH)CH(CH2@71)OH)CH3)CH2CH2@68)OH)CH(CH@66OH)OH)CH3)CH3
Graph_329,0,O[1]CH(CH(CH(CH(CH2@1)OH)OH)OH)OC[20]HCH2OCH(CH(CH@20OCH3)OH)OCH2CH2CH(CH(CH3)CH3)CH=CHCH(C[64]HC[66](CH(C[69](CH(C[72](CH(CH(CH(CH2CH2@72)OH)OH)CH(CH2@69)OH)CH3)CH2CH2@66)OH)CH(CH@64OH)OH)CH3)CH3
Graph_330,0,O[1]CH(CH(CH(CH(CH2@1)OC[14]HOCH2CH(CH(CH@14OH)OCH3)OH)OCH3)OH)OC[43]HCH2OCH(CH(CH@43OH)OH)OCH2CH2CH(CH(CH3)CH3)CH2CH2CH(C[86]HC[88](CH(C[91](CH(C[94](CH(CH(CH(CH2CH2@94)OH)OH)CH(CH2@91)OH)CH3)CH2CH2@88)OH)CH(CH@86OH)OH)CH3)CH3
Graph_331,0,O[1]CH(CH(CH(CH(CH2@1)OC[14]HOCH2CH(CH(CH@14OH)OCH3)OH)OCH3)OH)OC[43]HCH2OCH(CH(CH@43OH)OH)OCH2CH2CH(CH(CH3)CH3)CH=CHCH(C[84]HC[86](CH(C[89](CH(C[92](CH(CH(CH(CH2CH2@92)OH)OH)CH(CH2@89)OH)CH3)CH2CH2@86)OH)CH(CH@84OH)OH)CH3)CH3
Graph_332,0,O[1]CH(CH(CH(CH(CH2@1)OC[14]HOCH2CH(CH(CH@14OH)OCH3)OH)OH)OH)OC[40]HCH2OCH(CH(CH@40OH)OH)OCH2CH2CH(CH(CH3)CH3)CH2CH2CH(C[83]HC[85](CH(C[88](CH(C[91](CH(CH(CH(CH2CH2@91)OH)OH)CH(CH2@88)OH)CH3)CH2CH2@85)OH)CH(CH@83OH)OH)CH3)CH3
Graph_333,0,N[1](:C(:N:C(:C:@1CH2C[9]:CH:C[12]:C(:CH:CH:@9)OCH2O@12)CH2C[26]:CH:C[29]:C(:CH:CH:@26)OCH2O@29)NH2)CH3
Graph_334,0,N[1](C(=NC(C@1=O)=CHC[9]:CH:C[12]:C(:CH:CH:@9)OCH2O@12)NH2)CH3
Graph_335,0,N[1](:C(:N:C(:C:@1CH2C[9]:CH:C[12]:C(:CH:CH:@9)OCH2O@12)CH2C[26]:CH:C[29]:C(:CH:CH:@26)OCH2O@29)N=C[41]N(C(N(C@41=O)CH3)=NH)CH3)CH3
Graph_336,0,OHC[3](CH(C(CH2CH2CH2@3)(CH3)CH3)CH2CH2C(=CH2)C(=O)CH3)CH3
Graph_337,0,S[1]C[2]HN(CH(C[7](CH2@1)CH2CH2@7)C(=O)OH)C(CH@2NHC(=O)CH2CH2CH2CH(NH2)C(=O)OH)=O
Graph_338,0,N[1]CH2CH2N=C@1C[10]:O:C[12]:N:C(:CH:C(:C:@12:C:@10N=C@1CH3)CH3)C[30]:CH:CH:CH:CH:CH:@30
Graph_339,0,Si(OC[3]HCH(OCH(CH2@3)N[13]:CH:N:C[17]:C:@13N=C(NHC@17=O)NHC(=O)CH(CH3)CH3)CH2OSi(CH(CH3)CH3)(CH(CH3)CH3)CH(CH3)CH3)(CH(CH3)CH3)(CH(CH3)CH3)CH(CH3)CH3
Graph_340,0,Si(OC[3]HCH(OCH(CH2@3)N[13]:CH:N:C[17]:C:@13N=C(NHC@17=O)NHC(=O)CH(CH3)CH3)CH2OC(C[44]:CH:CH:C(:CH:CH:@44)OCH3)(C[59]:CH:CH:C(:CH:CH:@59)OCH3)C[74]:CH:CH:CH:CH:CH:@74)(CH(CH3)CH3)(CH(CH3)CH3)CH(CH3)CH3
Graph_341,0,NH(CH(CH3)C[9]:CH:CH:CH:CH:CH:@9)CH2CH(OH)CH2OC[31]:C[32]:C(:CH:CH:CH:@31):CH:CH:CH:CH:@32
Graph_342,0,NH(CH(CH3)C[9]:CH:CH:CH:CH:CH:@9)CH2CH(OH)CH2OC[31]:C[32]:C(:CH:CH:CH:@31):CH:CH:CH:CH:@32
Graph_343,0,NH(CH(CH3)C[9]:CH:CH:CH:CH:CH:@9)CH2CH(OH)CH2OC[31]:C[32]:C(:CH:CH:CH:@31):CH:CH:CH:CH:@32
Graph_344,0,NH(CH(CH3)C[9]:CH:CH:CH:CH:CH:@9)CH2CH(OH)CH2OC[31]:C[32]:C(:CH:CH:CH:@31):CH:CH:CH:CH:@32
Graph_345,0,S[1]:C[2]:N:C(:CH:CH:C:@2:C(:C:@1C(=O)OH)N=C(N[18]CH2CH2CH2CH2@18)CH3)C[35]:CH:CH:CH:CH:CH:@35
Graph_346,0,ClC[2]:CH:CH:C(:CH:CH:@2)C[12]:N:C[14]:S:C(:C(:C:@14:CH:CH:@12)N=C(N[25]CH2CH2CH2CH2CH2@25)CH3)C(=O)OH
Graph_347,0,BrC[2]:CH:CH:C(:CH:CH:@2)C[12]:N:C[14]:S:C(:C(:C:@14:CH:CH:@12)N=C(N[25]CH2CH2CH2CH2CH2@25)CH3)C(=O)OH
Graph_348,0,FC[2]:CH:CH:C(:CH:CH:@2)C[12]:N:C[14]:S:C(:C(:C:@14:C(:CH:@12)CH3)N=C(N[28]CH2CH2CH2CH2CH2@28)CH3)C(=O)OH
Graph_349,0,ClC[2]:CH:CH:C(:CH:CH:@2)C[12]:N:C[14]:S:C(:C(:C:@14:C(:CH:@12)CH3)N=C(N[28]CH2CH2CH2CH2CH2@28)CH3)C(=O)OH
Graph_350,0,ClC[2]:CH:CH:C(:CH:CH:@2)C[12]:N:C[14]:S:C(:C(:C:@14:C(:CH:@12)CH3)N=C(N[28]CH2CH2OCH2CH2@28)CH3)C(=O)OH
Graph_351,0,BrC[2]:CH:CH:C(:CH:CH:@2)C[12]:N:C[14]:S:C(:C(:C:@14:C(:CH:@12)CH3)N=C(N[28]CH2CH2CH2CH2CH2@28)CH3)C(=O)OH
Graph_352,0,BrC[2]:CH:CH:C(:CH:CH:@2)C[12]:N:C[14]:S:C(:C(:C:@14:C(:CH:@12)CH3)N=C(N[28]CH2CH2OCH2CH2@28)CH3)C(=O)OH
Graph_353,0,S[1]:C[2]:N:C(:CH:C(:C:@2:C(:C:@1C(=O)OH)N=C(N[17]CH2CH2CH2CH2CH2@17)CH3)CH3)C[41]:CH:CH:C(:CH:CH:@41)OCH3
Graph_354,0,S[1]:C[2]:N:C(:CH:C(:C:@2:C(:C:@1C(=O)OH)N=C(N[17]CH2CH2OCH2CH2@17)CH3)CH3)C[39]:CH:CH:C(:CH:CH:@39)OCH3
Graph_355,0,FC[2]:CH:CH:C(:CH:CH:@2)C[12]:C[13]:C(:S:C(:C:@13N=C(N[20]CH2CH2CH2CH2CH2@20)CH3)C(=O)OH):N:C(:CH:@12)CH3
Graph_356,0,FC[2]:CH:CH:C(:CH:CH:@2)C[12]:C[13]:C(:S:C(:C:@13N=C(N[20]CH2CH2OCH2CH2@20)CH3)C(=O)OH):N:C(:CH:@12)CH3
Graph_357,0,ClC[2]:CH:CH:C(:CH:CH:@2)C[12]:C[13]:C(:S:C(:C:@13N=C(N[20]CH2CH2CH2CH2CH2@20)CH3)C(=O)OH):N:C(:CH:@12)CH3
Graph_358,0,ClC[2]:CH:CH:C(:CH:CH:@2)C[12]:C[13]:C(:S:C(:C:@13N=C(N[20]CH2CH2OCH2CH2@20)CH3)C(=O)OH):N:C(:CH:@12)CH3
Graph_359,0,BrC[2]:CH:CH:C(:CH:CH:@2)C[12]:C[13]:C(:S:C(:C:@13N=C(N[20]CH2CH2CH2CH2CH2@20)CH3)C(=O)OH):N:C(:CH:@12)CH3
Graph_360,0,S[1]:C[2]:N:C(:CH:C(:C:@2:C(:C:@1C(=O)OH)N=C(N[17]CH2CH2OCH2CH2@17)CH3)C[35]:CH:CH:CH:CH:CH:@35)C[46]:CH:CH:CH:CH:CH:@46
Graph_361,0,ClC[2]:CH:CH:C(:CH:CH:@2)C[12]:C[13]:C(:S:C(:C:@13N=C(N[20]CH2CH2CH2CH2CH2@20)CH3)C(=O)OH):N:C(:CH:@12)C[48]:CH:CH:CH:CH:CH:@48
Graph_362,0,ClC[2]:CH:CH:C(:CH:CH:@2)C[12]:N:C[14]:S:C(:C(:C:@14:C(:CH:@12)C[22]:CH:CH:C(:CH:CH:@22)Cl)N=C(N[35]CH2CH2CH2CH2CH2@35)CH3)C(=O)OH
Graph_363,0,ClC[2]:CH:CH:C(:CH:CH:@2)C[12]:N:C[14]:S:C(:C(:C:@14:C(:CH:@12)C[22]:CH:CH:C(:CH:CH:@22)Cl)N=C(N[35]CH2CH2OCH2CH2@35)CH3)C(=O)OH
Graph_364,0,BrC[2]:CH:CH:C(:CH:CH:@2)C[12]:N:C[14]:S:C(:C(:C:@14:C(:CH:@12)C[22]:CH:CH:C(:CH:CH:@22)Br)N=C(N[35]CH2CH2CH2CH2CH2@35)CH3)C(=O)OH
Graph_365,0,S[1]:C[2]:N:C(:CH:C(:C:@2:C(:C:@1C(=O)OH)N=C(N[17]CH2CH2OCH2CH2@17)CH2CH3)CH3)C[42]:CH:CH:CH:CH:CH:@42
Graph_366,0,FC[2]:CH:CH:C(:CH:CH:@2)C[12]:C[13]:C(:S:C(:C:@13N=C(N[20]CH2CH2CH2CH2CH2@20)CH3)C(=O)OH):N:C(:CH:@12)C[48]:O:CH:CH:CH:@48
Graph_367,0,ClC[2]:CH:CH:C(:CH:CH:@2)C[12]:C[13]:C(:S:C(:C:@13N=C(N[20]CH2CH2CH2CH2CH2@20)CH3)C(=O)OH):N:C(:CH:@12)C[48]:O:CH:CH:CH:@48
Graph_368,0,BrC[2]:CH:CH:C(:CH:CH:@2)C[12]:C[13]:C(:S:C(:C:@13N=C(N[20]CH2CH2CH2CH2CH2@20)CH3)C(=O)OH):N:C(:CH:@12)C[48]:O:CH:CH:CH:@48
Graph_369,0,S[1]:C[2]:N:C(:CH:C(:C:@2:C(:C:@1C(=O)OH)N=C(N[17]CH2CH2CH2CH2CH2@17)CH3)CH3)C[41]:S:CH:CH:CH:@41
Graph_370,0,S[1]:C[2]:N:C(:CH:C(:C:@2:C(:C:@1C(=O)OH)N=C(N[17]CH2CH2CH2CH2CH2@17)CH3)C[37]:S:CH:CH:CH:@37)CH3
Graph_371,0,S[1]:C[2]:N:C(:C(:C(:C:@2:C(:C:@1C(=O)OH)N=C(N[16]CH2CH2CH2CH2CH2@16)CH3)CH3)CH3)CH3
Graph_372,0,S[1]:C[2]:N:C(:C(:C(:C:@2:C(:C:@1C(=O)OH)N=C(N[16]CH2CH2CH2CH2CH2@16)CH3)CH3)CH2C[43]:CH:CH:CH:CH:CH:@43)CH3
Graph_373,0,S[1]:C[2]:N:C(:C(:C(:C:@2:C(:C:@1C(=O)OH)N=C(N[16]CH2CH2CH2CH2CH2@16)CH3)CH3)CH2C[43]:CH:CH:C(:CH:CH:@43)C#N)CH3
Graph_374,0,S[1]:C[2]:N:C(:C(:C(:C:@2:C(:C:@1C(=O)OH)N=C(N[16]CH2CH2CH2CH2CH2@16)C(=O)OCH2CH3)CH3)CH3)CH3
Graph_375,0,S[1]:C[2]:N:C(:CH:C(:C:@2:C(:CH:@1)N=C(NHC[16]:CH:CH:CH:CH:CH:@16)CH3)CH3)CH3
Graph_376,0,S[1]:C[2]:N:C(:CH:C(:C:@2:C(:CH:@1)N=C(N[14]CH2CH2CH2CH2@14)CH3)CH3)CH3
Graph_377,0,S[1]:C[2]:N:C(:CH:C(:C:@2:C(:CH:@1)N=C(N(CH2CH3)CH2CH3)CH3)CH3)CH3
Graph_378,0,S[1]:C[2]:N:C(:CH:CH:C:@2:C(:CH:@1)N=C(N[15]CH2CH2CH2CH2@15)CH3)C[32]:CH:CH:CH:CH:CH:@32
Graph_379,0,BrC[2]:CH:CH:C(:CH:CH:@2)C[12]:N:C(:S:CH:@12)NHNHC(=O)C[24]:CH:C(:C(:C(:CH:@24)OCH3)OCH3)OCH3
Graph_380,0,S[1]:C(:N:C(:CH:@1)C[7]:CH:CH:C(:CH:CH:@7)CH3)NHNHC(=O)C[27]:CH:C(:C(:C(:CH:@27)OCH3)OCH3)OCH3
Graph_381,0,S[1]:C(:N:C(:CH:@1)C[7]:CH:CH:C(:CH:CH:@7)OCH3)NHNHC(=O)C[28]:CH:C(:C(:C(:CH:@28)OCH3)OCH3)OCH3
Graph_382,0,BrC[2]:CH:CH:C(:CH:CH:@2)C[12]:N:C(:S:CH:@12)NHNHC(=O)C[24]:CH:C[27]:C(:CH:CH:@24)OCH2O@27
Graph_383,0,S[1]:C(:N:C(:CH:@1)C[7]:CH:CH:C(:CH:CH:@7)CH3)NHNHC(=O)C[27]:CH:C[30]:C(:CH:CH:@27)OCH2O@30
Graph_384,0,S[1]:C(:N:C(:CH:@1)C[7]:CH:CH:C(:CH:CH:@7)OCH3)NHNHC(=O)C[28]:CH:C[31]:C(:CH:CH:@28)OCH2O@31