Compound List

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Compound	Smiles	Mol
C500995	CNc1cc(C)c(Cl)cc1N
C501000	CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])C12CC2
C501001	CCOC(=O)c1cc(O)c2c(c1)OC(OCC)O2
C501003	O=C(OCc1ccccc1)N1CCCC(O)CC1
C501004	CC(C)(C)OC(=O)N1CC(=O)CC1CO
C501005	NCC1CCN(Cc2ncno2)CC1
C501006	O=C(O)c1cc(-c2ccc(F)cc2)nc2c1cnn2-c1ccccc1F
C501007	Cn1c(=O)cc(O)c2cc(Cl)ccc21
C501011	Cc1cccc(-n2nnc(C(=O)O)c2N)c1
C501013	O=C(O)c1c(F)ccc(S(=O)(=O)C2CCCC2)c1F
C501019	NC(=O)CC1CC(N)C12CCC2
C501022	COC(=O)C1CNc2c(OC)cccc21
C501023	CC(C)(C)OC(=O)N1CC2C(N)C21
C501028	NCc1ccc(F)c(Cn2ccnc2)c1
C501031	CC(C)(C)OC(=O)N1CCC2(COCC(O)CO2)C1
C501035	Cc1nc(NN)nc(C)c1Br
C501038	O=C(O)c1cc(-c2ccc(OC(F)F)cc2)nc2c1cnn2-c1ccc(F)cc1
C501039	SCCc1ccccc1I
C501040	COC(=O)COc1cccnc1Br
C501041	O=C1CC2CN(C(=O)OCc3ccccc3)CC2C1
C501042	CC(F)(F)c1ccccc1CCl
C501043	CC(C)(C)OC(=O)NCC1(CO)CCOCC1
C501045	CNc1ccc(C)cc1I
C501047	COC(=O)c1ccc(-c2noc(N)n2)cc1
C501048	C#CC12CC(N)(C1)C2
C501051	CCC1CCC(C(=O)OC)CN1
C501053	COc1ncnc(OC)c1I
C501057	O=S(=O)(F)c1ccc2nccc(Cl)c2c1
C501059	COC(=O)c1cc(C=O)n2c1CN(C(=O)OCC1c3ccccc3-c3ccccc31)CC2
C501060	CC1(N2CCC(F)(F)C2)CNC1
C501061	CC(C)(CC(=O)O)C1CCOCC1
C501063	N#Cc1cc2nccnc2cc1F
C501064	O=S(=O)(F)C=C1CC1
C501066	COC(=O)C(=CBr)NC(=O)OC(C)(C)C
C501069	COC1(c2ccc(C(=O)O)cc2)CN(C(=O)OC(C)(C)C)C1
C501072	Cc1cc(C(=O)N(C2=NC(C)CS2)c2ccc(Cl)cc2)no1
C501076	COc1nn(C(=O)NS(=O)(=O)c2c(C(=O)O)csc2C)c(=O)n1C
C501079	CCCC(C)(C)S
C501081	O=C1C=C(c2cccc(C(F)(F)F)c2)CCC1
C501082	O=S(=O)(Cl)c1ccc2ncoc2c1
C501084	COC(=O)Cc1noc(C)n1
C501085	C#CC1(COC)COC1
C501087	Cc1cc(CO)c(Br)cc1F
C501095	COc1ccc(-c2cn[nH]c2)cc1
C501098	CC(C)(C)OC(=O)C1CCC(C)(C(=O)O)CC1
C501101	Clc1nc(-c2ccncc2)nc2ccccc12
C501104	Brc1cnc2cc3c(cc2c1)OCO3
C501105	CC(CNCCC(=O)O)Cn1ccnc1
C501106	CC(=O)N1CCc2c(Cl)cc(F)cc2C1
C501108	COC1(c2cccc(Br)c2)CCCCC1
C501109	O=C(O)C1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1
C501111	Cn1ncc(P(C)(C)=O)c1C=O
C501112	CC(C)(C)OC(=O)N1CC(C#CC(=O)O)C(C)(C)C1
C501113	CC1CC(C)(C)N(C(=O)CCl)c2ccccc21
C501115	CNC1(C#N)CCC(C)CC1
C501117	CC1(C)OB(C(Br)B2OC(C)(C)C(C)(C)O2)OC1(C)C
C501118	O=C(O)CN1CC(=O)Nc2ccccc2C1=O
C501119	CC(C)(C)OC(=O)NC1CC(C)(C)C1C(=O)O
C501120	CC(C(=O)O)c1cccc2ccncc12
C501121	Nc1c(Br)cc(F)cc1OC(F)F
C501123	NCC(NC(=O)OCc1ccccc1)C(=O)O
C501126	CNc1cc(OC(F)F)c(Br)cc1[N+](=O)[O-]
C501127	O=CCC(CF)(CF)CF
C501129	O=C(N1CCCCC1)C12CCOCC1CNC2
C501131	COc1cc(CNc2cnn(C)c2)cc(Br)c1OS(=O)(=O)F
C501132	CCCCCCCCC(=O)N(CCCN(C)C)C(CCCCCCCCC(=O)OC(CCCCCC)CCCCCC)CCCCCCCCC(=O)OC(CCCCCC)CCCCCC
C501133	CC(C)(C)OC(=O)N1CCNCC1C#N
C501134	COc1cc(NC(=O)OCC(F)(F)F)ccc1Br
C501135	COCC#Cc1cccc(CO)c1
C501138	CCN(CC)CCCn1c(S)nc2ccccc2c1=O
C501139	COC(=O)c1cccc(Cl)c1Cl
C501140	N=C(NN=Cc1ccc(C(=O)O)cc1)NN=Cc1ccc(C(=O)O)cc1
C501142	COC(=O)C1CC2(CO)CC1C2
C501143	Cn1c(C#N)c(C(=O)O)c2ccccc21
C501144	CC1(C)OB(c2cc3cn[nH]c3s2)OC1(C)C
C501148	O=C1NC(=O)C2(Cc3ccc(Br)cc3C2)N1
C501149	O=c1cnc2ccc(Br)nc2[nH]1
C501152	CNC1CC2CC1C2
C501154	CC(C)(C)n1cnc(C=O)n1
C501155	CCCn1ccc(S(=O)(=O)Cl)n1
C501157	COC(=O)CCC(CCC(=O)O)NC(=O)OC(C)(C)C
C501159	O=C(NCC1CC2(COCCO2)C1)c1ccccc1
C501160	O=[N+]([O-])c1ccc(F)c2c(Br)n[nH]c12
C501163	Cc1ccc(Cl)nc1NC(=O)OC(C)(C)C
C501164	O=c1[nH]c(=O)c2cnc(Cl)cc2[nH]1
C501168	Cc1cc(C(=O)O)ccc1-c1cncs1
C501172	COC(=O)C(N)Cn1cc(Cl)c2cccnc21
C501173	O=C1NCCc2cccc(F)c21
C501176	CC(C)(C)OC(=O)N1CCOC(C)(c2ccc(Br)cc2)C1
C501177	CC1=NS(=O)(=O)NC(c2ccc(Br)cc2)C1C(=O)N(C)c1ccccc1
C501179	COc1ccc(C=C2N=C(C3CC3)OC2=O)cc1
C501181	CC(C)(C)OC(=O)N1CCN2C(=O)CCC2C1
C501183	CCNc1cc(C(=O)OC)ccc1N
C501187	CC(CO)OC(F)F
C501188	[N-]=[N+]=NCCCOc1ccc(C=O)c(O)c1
C501189	CC1(C2CCCO2)CC1C(=O)O
C501191	Cc1nc(OC(F)F)ccc1[N+](=O)[O-]
C501198	COC(=O)c1cnc(Br)c(C)c1
C501199	O=C(O)C1CCC2(CCNCC2)O1
C501200	C1CN(C2C3CC4CC(C3)CC2C4)CCN1