Compound List

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Compound	Smiles	Mol
C500013	CCC(NC1CC1)C(C)C
C500014	CC(C)(C)OC(=O)N1CCc2ncc(C(=O)O)cc21
C500017	NCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21
C500018	Clc1ccc2cc(I)cnc2c1Cl
C500019	CC(C)(C)OC(=O)N1CCN(c2cc(C3CCNCC3)n[nH]2)CC1
C500020	CC(C)(O)c1nccnc1C(=O)[O-]
C500021	Cc1nc2c(s1)CCCC2C(=O)N1CCC(CN)(c2ccccc2)CC1
C500022	NC(c1ccccc1)C1(CO)CCCC1
C500025	O=S(=O)(F)C1CC2C=CC1C21CC1
C500034	C=C1CC(CC#N)C1
C500035	CC(C)(C)OC(=O)N1CC2(C1)OCC1(CO)CNCC12
C500039	O=C(NC(CC1CCSCC1)C(=O)O)OCC1c2ccccc2-c2ccccc21
C500040	O=C(O)c1ccc2c(c1)OCC(F)(F)CO2
C500043	Nc1n[nH]cc1-c1nnn[nH]1
C500044	NC1(C(=O)O)CC(CF)C1
C500045	O=C1NC(=S)SC1=Cc1ccc(F)cc1
C500048	COC(=O)c1cnc2c(n1)CCN2
C500049	BrCC1CN(Cc2ccccc2)C1
C500054	Cc1cc(Br)cc2ccnc(C)c12
C500057	NCC1(F)CC1(F)F
C500058	Cc1nc(Cl)cc(=O)n1-c1cccc(Cl)c1Cl
C500061	CC(N)(CC(=O)O)c1ncccn1
C500063	Cc1cc(O)cc(S(=O)(=O)Cl)c1
C500064	CC(C)(C)C(=O)C=C([O-])C(C)(C)C
C500065	CC1(O)CCC1=O
C500066	N#Cc1c(F)c(C#N)c(Cl)c(Cl)c1Cl
C500067	Cc1cn(-c2cccc([N+](=O)[O-])c2)c(=O)[nH]1
C500068	O=CC1CCOC2(CCOCC2)C1
C500069	Nc1c(Br)cncc1I
C500070	Clc1ccc(C(OCCN2C3CCCC2CC3)c2ccccc2)cc1
C500072	CNC1(C(=O)O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1
C500073	COc1ccc(F)cc1C(C)(C)O
C500076	CC(C)(C)OC(=O)Nc1sc2c(F)ccc(Br)c2c1C#N
C500078	CC(C)=CCc1cc(C=CCO)ccc1O
C500080	O=C1CN=C(c2ccccc2)N1
C500081	CN(C)C(c1ccccc1)N(C)C
C500083	COc1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1
C500086	CC(=O)CCC(C)O
C500089	CC(C)(C)OCc1ccc(C=O)cc1
C500090	OCC1CC2(COC2)C1
C500093	FC12CCC(CBr)(CC1)CC2
C500094	COC(=O)C1C2CC(CO)(C2)N1C(=O)OC(C)(C)C
C500095	COC(=O)c1cc2cc(C(F)(F)F)cnc2s1
C500098	CC(C)Oc1ccc(C(C)(C)CN)cc1
C500100	N#CC12CC1(CO)C2
C500101	COC(=O)c1cc2n(n1)CCN(C)C2=O
C500102	Nc1ncnc2c1ncn2C1OC(CS)C(O)C1O
C500103	CC(C)(C)OC(=O)NCC(C)(C)OCCOS(C)(=O)=O
C500106	O=CCCc1ccc(S(=O)(=O)[O-])cc1
C500107	Cc1ncccc1C(=O)Nc1ccc(F)cc1
C500108	O=C1CCOc2cc(Cl)ccc21
C500109	Cc1ccc(N2C(=O)NC(CCC(=O)O)C2=O)cc1Cl
C500111	COC(=O)c1cc(C)c2[nH]ncc2c1
C500114	COC(=O)CNC(=O)Nc1cccc(Cl)c1
C500115	CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(C(=O)CNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cn3)nc2n(C2CCCC2)c1=O
C500118	CC(C)(C)OC(=O)CCNC1CCOCC1
C500119	O=C(OCc1ccccc1)c1ccc(O)cc1
C500123	COC(=O)C1CCC2(CC(N=[N+]=[N-])C2)C1
C500125	C#CCOCCOC(=O)Cl
C500126	CC1OCCC1CS(=O)(=O)Cl
C500130	Nc1ccc2c(n1)OCCC2
C500131	COC(=O)c1cccc2c3c([nH]c12)CCN(C(=O)c1cccc(COc2ccccc2C(N)=O)c1)C3
C500132	NCCCN1CCN(c2ccc(F)cc2)CC1
C500133	CC1(C)CCN(C(=O)C(c2ccccc2)N2CCN(c3ccc(O)cc3)CC2)C1
C500134	N#Cc1cc(C#N)c(C(F)(F)F)nc1Cl
C500139	FC1CCC(CS)C1
C500141	Cc1ncsc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(NC(=O)COCCOCCN)C(C)(C)C)cc1
C500143	CC(C)CC1CCCC1=O
C500144	Cc1nc2n(c(=O)c1CCO)CCCC2
C500145	COC(=O)C1=C(OC)C(F)(F)C1
C500146	COc1ccc(-c2ccnc(O)c2)c(F)c1
C500147	CC1CN(C(=O)OC(C)(C)C)CC=C1B1OC(C)(C)C(C)(C)O1
C500149	Cc1ccccc1-n1cnc2ccc(C(=O)O)cc21
C500150	Cc1ccc(Cl)c(OC(C)(C)C(=O)O)c1
C500154	CC(C)(C)OC(=O)N1CCc2c(Br)cc(C(=O)O)cc21
C500155	O=C(O)c1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1
C500157	CCOC(=O)C1CC2CC1(c1ccc(Cl)c(Cl)c1)C2
C500158	CCOc1cncc(-c2ccc(NC(=O)C(F)(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)nc2)n1
C500159	NNC(=O)c1cccc2[nH]ccc12
C500161	CCOC(=O)c1nc(CN)ns1
C500163	Oc1cc(F)ccc1S
C500168	COC(=O)Cc1cccc(OC)c1Br
C500171	O=C(O)Cc1c(F)ccc(Cl)c1F
C500179	NCc1cc(Cl)ncc1F
C500180	O=C(O)C1(S(=O)(=O)c2ccc3ccccc3c2)CCC1
C500181	CC(C)(O)C(N)CO
C500182	CN(Cc1c[nH]c(-c2ccccc2F)c1)C(=O)OC(C)(C)C
C500183	COC(=O)C12CN(C(=O)OC(C)(C)C)CC(CCC(=O)O)(C1)C2
C500189	Cc1cc(CO)cc(C(F)(F)F)c1
C500191	O=C(O)c1cc2cc(F)ncc2o1
C500193	O=C(OCc1ccccc1)C1CNCCN1
C500194	O=C(O)C12COCC(C(F)F)(C1)C2
C500195	COC(=O)c1ccc(C(=O)Nc2ccccc2N2CCCC2)nc1
C500196	CSc1ncc(C(=O)O)c(Cl)n1
C500197	CC12CC3CC(C)(C1)CC(CC=O)(C3)C2
C500198	Cn1nc(C(C)(F)F)cc1S(=O)(=O)Cl
C500199	Brc1ccc(I)c2ccccc12
C500203	OCc1cc(-c2cccs2)cs1
C500208	COC(=O)C12CCC(CO)(CC1)N2
C500210	CN1Cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2N(C)S1(=O)=O