Compound List

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Compound	Smiles	Mol
C500404	CN(C)CC#Cc1ccc2[nH]c3c(c2c1)-c1nc(N)ncc1CCC3
C500411	CC(C)(C)OC(=O)CC1(O)CCNCC1
C500412	COC(=O)c1cc(Br)cc2c1NCC2
C500413	O=C(NCC1CCC(F)(F)C1)c1cnns1
C500414	Cn1cc(S(N)(=O)=O)c(Cl)n1
C500415	NNC(=O)c1ccccc1CS(N)(=O)=O
C500418	Cn1nc2ccc(Br)cc2c1CBr
C500421	Oc1c(-c2cc(-c3ccco3)[nH]n2)ccc2ccccc12
C500425	COC(=O)CNC(=O)CCN(C)C
C500429	O=S(=O)(O)c1ccc(Br)s1
C500430	O=C(Cl)C(Br)c1cccc(Br)c1
C500431	NC(CCS(N)(=O)=O)C1CCCC1
C500432	O=C(NCCC(CF)(CF)CF)c1ccccc1
C500434	CNCC(c1ccc(O)cc1)C1(O)CCCCC1
C500438	FC(F)(Br)c1ccc(Br)cn1
C500443	CC(C)(C)OC(=O)N1Cc2ccc(CO)nc2C1
C500444	N#CC(NC(=O)CCCc1ccccc1)=C(Cl)Cl
C500447	CCOc1c(O)cccc1O
C500448	CC(C)(C)OC(=O)N1CC2CC1CN2c1ccc(C(=O)O)c(F)c1
C500449	O=c1cc(Br)c2ccccc2o1
C500450	[N-]=[N+]=NCCNC(=O)NCc1ccccc1
C500452	O=S(=O)(Cl)c1cc(C2CC2)no1
C500454	Cc1nc2c(C)cc(C(=O)O)cc2o1
C500458	COC(=O)C1(C(O)c2nccn2C)CC1
C500467	O=c1cc(C(F)(F)F)[nH]c2ccncc12
C500472	CC(NC(=O)CCCc1ccccc1)C(=O)N1CCCC1C(N)=O
C500475	CC(C)(C)[Si](C)(C)OC1(C=O)CCCCCC1
C500476	COc1cc(C)c(CN(C)C(=O)CCl)cc1OC
C500477	CC(C)(C)SSCCC(=O)O
C500478	[N-]=[N+]=NCC1OCCCO1
C500483	S=C(Nc1ccccc1)P(c1ccccc1)c1ccccc1
C500485	O=S(=O)(Cl)c1ccc(-c2cnns2)cc1
C500486	CSCC(C)(N)C#N
C500487	COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(S)n2)c(OC)c1
C500488	CN(C(=O)c1cnc(Cl)nc1)C1CCN(C(=O)OC(C)(C)C)C1
C500490	CC(C)(C)OC(=O)N1CCC(O)CC12COC2
C500492	O=C(c1ccc(-c2ccccc2)cc1)N1CCCC1
C500493	CNC(=O)c1cc(N)cc(C(=O)O)c1
C500496	CCOC(=O)C1(NC(=O)OC(C)(C)C)CC1C1CO1
C500498	O=Cc1ccc(F)c(O)c1O
C500500	CC(C)N(CCCC(=O)O)N=O
C500501	COc1cc(C(=O)O)ccc1OCc1c(C)noc1C
C500502	O=Cc1c(F)cc(Br)c2cccnc12
C500504	COC(=O)c1c(Br)cccc1C=O
C500506	CCOC(=O)C(=[N+]=[N-])P(=O)(OCC)OCC
C500508	Cc1cc(OS(=O)(=O)F)cc(S(=O)(=O)F)c1
C500510	C=CN(C=O)CC(=C)c1cccc2ccccc12
C500512	Oc1c(F)ccc(F)c1Br
C500513	O=C(O)COc1ccc(Br)cc1C=C1C(=O)Nc2cc(C(F)(F)F)ccc21
C500514	CC(NS(=O)C(C)(C)C)c1ccccc1P(c1ccccc1)c1ccccc1
C500515	Nc1nc(-c2ccnc(O)c2)cs1
C500516	CC1CC(C)CC(Oc2ccc(S(N)(=O)=O)cc2)C1
C500518	O=S(=O)(c1cccc(-c2nnc(S)n2Cc2ccco2)c1)N1CCOCC1
C500520	CC(=O)C(=O)CCCCCC(=O)O
C500524	CC(C)(C)OC(=O)NC1(CNN)CC1
C500525	CCOC(=O)c1cc(F)c(F)cc1Cl
C500527	CC(C)(C)OC(=O)N1CC(N)(CCN)C1
C500529	COC(=O)c1ccnc2[nH]cnc12
C500532	CC(C)(C)OC(=O)NC1CCCC2(C1)CC(O)(C(=O)O)C2
C500533	Cc1nn(CC(=O)O)c2nc(-c3ccccc3)cc(C(F)(F)F)c12
C500537	Clc1cc2c(nn1)NCCCC2
C500539	C=C(CCN)B1OC(C)(C)C(C)(C)O1
C500542	O=C1CC2(CCC(c3ccccc3)CC2)N1
C500544	CCc1nc(Br)c(=O)[nH]c1CC
C500545	C#CC12CNC(C(=O)OC)(C1)C2
C500546	c1ccc(Cn2cc(-c3ncc(-c4ccccc4)o3)nn2)cc1
C500547	O=c1[nH]c(=O)n(C2OC(CO)C(O)C2F)cc1I
C500548	C=CC(=O)NC(c1nc(C2CC2)no1)C(C)C
C500549	Cc1c(C#N)cccc1S(=O)(=O)Cl
C500551	Cn1cnc2cccc(Br)c21
C500552	OCC1NCC1O
C500554	Cc1c(I)cc(Br)cc1C(F)(F)F
C500555	CCc1cnncc1Br
C500557	Cc1cc(B2OC(C)(C)C(C)(C)O2)cc2cnn(C)c12
C500562	FC(F)(F)c1ccc(-n2c(S)nnc2C2CC2)cc1
C500566	OCC1(c2ccc(Br)cc2)CC1
C500567	OCC1CC1I
C500568	Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1
C500572	CCn1c(=O)c(=O)n(CC(=O)NC2CCCCCC2)c2cccnc21
C500573	CC1(C)COc2c(S(=O)(=O)F)cnn2C1
C500575	Nc1ccnc(-c2cc(N)ccn2)c1
C500576	Cc1nn(C)c2ccc(B(O)O)cc12
C500577	COc1c(F)cc(Br)cc1CC(N)CO
C500579	O=S(=O)(c1cccc(-c2nnc(S)n2-c2ccccc2Cl)c1)N1CCOCC1
C500581	COC(C)(OC)c1ccccn1
C500582	NCCCc1ccc(F)cc1Cl
C500584	COC(=O)c1cc2ccc(C)cn2c1
C500587	Nc1ccc(-c2c[nH]c(N)n2)cc1
C500590	COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12
C500591	O=C(CCl)c1ccc2[nH]ccc2c1
C500593	CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1nc2ccc(Cl)cc2s1
C500594	O=c1occc2cc(Cl)ccc12
C500596	CC1(C#N)CC2(CC(=O)N2)C1
C500598	C#Cc1ccc(C(=O)NC)cc1
C500599	NCc1cn(-c2ccc(Br)cc2)nn1
C500600	NCC1C(C(=O)O)C1C(F)(F)F
C500602	[N-]=[N+]=NCc1ccc(OC2CC2)cc1
C500603	O=C([O-])c1cc(C2CC2)nc2c1nc1n2CCCCC1
C500604	CC(C)(C)OC(=O)N1CCc2cc(Cl)nnc2C1
C500605	O=C([O-])C1(F)CNCC12COC2