Compound List

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Compound	Smiles	Mol
C497650	Nc1ccn2ncc(I)c2c1
C497651	NCc1cc(C(=O)O)cnc1O
C497652	COC1=NC2CC3CC(C2)CC1C3
C497657	Cc1ccc2c(Cl)nc(Cl)cc2n1
C497658	CC1(C)OCc2cc(N)ccc21
C497660	O=C1NCCc2nc(Cl)ccc21
C497661	Sc1nnnn1-c1ccccc1
C497663	NCCCc1ccc2c(c1)COC2
C497667	OC1(n2cc(Br)cn2)CC1
C497668	CC(C)N1CCOC(Cn2cc(Br)cn2)C1
C497669	CC1(C)CCc2oc(C(=O)O)cc2C1=O
C497673	CCOC(=O)CC(=O)Nc1ccccc1C
C497676	O=C(O)C1CC2CCC(C2)N1
C497677	CC1(C)OB(c2cccc3c(F)cccc23)OC1(C)C
C497678	CCOC(=O)c1nocc1Cl
C497679	N[Pt](N)(Cl)(Cl)(OC(=O)CCCc1ccccc1)OC(=O)CCCc1ccccc1
C497680	Cc1ccnc(Br)c1NC(=O)C(F)(F)F
C497683	Brc1ccc2sc3ccc(Br)cc3c2c1
C497684	c1ccc(CN2CCOCC23CCC3)cc1
C497687	O=C(NCc1ccccc1)c1csc(COc2ccccc2F)n1
C497688	Cc1cc2ccccc2c(N)n1
C497689	Nc1nsc(Nc2c(F)cccc2F)n1
C497691	CC(=O)SCC1CC2(CC(F)C2)C1
C497693	Cc1ccc2c(n1)C(=O)NC2
C497694	Cc1noc(C)c1Cl
C497695	Cn1cc(-c2ccnc(SCC(=O)O)n2)cn1
C497698	Cc1nc2c(Br)cc(Br)cc2cc1N
C497701	COC(=O)c1cnn(C2CCC2)c1
C497702	CNCc1ccnc(OC(F)F)c1
C497705	COc1cc(C(C)=O)c(O)cc1F
C497706	CC(C)(C)OC(=O)N1CC2CC1CN2c1cnc(C(=O)[O-])c(F)c1
C497707	CC(C)(C)OC(=O)N1CCS(=N)(=O)CC1(C)C
C497709	N#CC(C(=O)C1CC(=O)Nc2ccc(Br)cc21)c1cccnc1
C497714	CC(C)CC(N)C(=O)NC(C(=O)NC(C(=O)NC(CO)C(=O)N1CCCC1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccc(O)cc1)C(=O)O)C(C)C)C(C)O
C497715	CC(C)(C)OC(=O)N(CC(=O)O)CC(=O)O
C497718	CC(C)Cn1ccc([N+](=O)[O-])n1
C497721	CC(C)C(=O)C(C)O
C497723	COC(=O)C1CCC(F)C(OC)N1C(=O)OC(C)(C)C
C497727	CC(C)(CS(N)(=O)=O)NC(=O)OC(C)(C)C
C497728	COC(=O)c1ccc(P(C)(C)=O)cc1OC
C497730	Oc1c(CN2CCN(c3ccc(F)cc3)CC2)cc(Br)c2cccnc12
C497731	NC(CF)c1cc(Cl)cnc1F
C497734	CC(C)(C)OC(=O)NCC1CC(C(=O)[O-])O1
C497735	Sc1cccc2cn[nH]c12
C497740	NC(=O)NCCC1CC1
C497741	Cc1cc(C)cc(C(=O)N2CCC(N)CC2)c1
C497745	COC1CCN(N)C1
C497747	O=Cc1cc(C=O)c(O)cc1O
C497749	CN(C)c1ccc2nc(C=O)sc2c1
C497751	CC(C)(C)OC(=O)N1CCC(F)(c2ccc(Br)cc2)CC1
C497752	Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)O)c(C)c34)ccc2[nH]1
C497754	[N-]=[N+]=Nc1ccc(Br)c([N+](=O)[O-])c1
C497756	CC(Br)c1ccc(Cl)cc1F
C497758	COC(=O)C=Cc1cocn1
C497759	COc1ccc(-c2cnn3c(N)c(C(=O)O)cnc23)cc1
C497760	FC(F)(F)CSc1nccc2ccccc12
C497761	[N-]=[N+]=NCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
C497762	O=S(=O)(O)c1ccc(-c2ccccn2)s1
C497765	CC(C)(C)OC(=O)NC12CC(B3OC(C)(C)C(C)(C)O3)(C1)C2
C497766	COC(=O)C1NC2(CO)CC1C2
C497768	CC1(F)CCCN(Cc2ccccc2)C1
C497769	CN(CCCOCCN=[N+]=[N-])C(=O)OC(C)(C)C
C497770	FCCOCCS
C497772	O=CC(CF)(CF)CBr
C497774	CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1
C497775	OB(O)c1ccc2ccccc2n1
C497777	CC(C)(C)OC(=O)Nc1cc2scc(Br)c2s1
C497778	CCOC(=O)CC(F)(F)c1ccn(C)n1
C497779	COc1ccc(N2C(=O)CCCC2=O)cc1
C497780	COc1ccc(C=O)cc1COc1ccccc1Br
C497785	NC(=O)NC1CCc2nnnn2CC1
C497787	C#CCCCCCCCCCCCCCOc1ccc(C(=O)O)o1
C497788	O=[N+]([O-])c1cc(F)cc(Cl)c1
C497791	Cc1ccc(O)c(C(=O)c2cnc3ccc4ccccc4c3c2)c1
C497792	Nc1ccn2nc(C(=O)O)cc2c1
C497794	O=C(O)Cc1nc(C(F)(F)F)no1
C497796	Cc1cc(C(=O)NN)c2c(C)nn(-c3ccccc3)c2n1
C497799	OCc1c[nH]c2cnccc12
C497802	Nc1c(Cl)cc(C(=O)CBr)cc1Cl
C497805	CC(C)c1ccc(Sc2cc(F)ccc2CC(=O)O)cc1
C497806	COc1ncc(C(=O)O)cc1C(=O)OC(C)(C)C
C497807	C#CCCC1(CCNC(=O)c2csc(-c3cn[nH]c3)c2)N=N1
C497808	O=C(O)CC1CNCCCOC1
C497809	[N-]=[N+]=NCCCOc1cccc(N)c1
C497814	CC(C)NCC1(C(=O)O)CCC1
C497816	O=C(CCl)NNC(=O)C1CC1c1ccc(Cl)cc1
C497818	CC(C)(C)OC(=O)C12COc3ccccc3C1CN(Cc1ccccc1)C2
C497819	O=C1OC(c2cc3ccccc3[nH]2)=NC1=Cc1cccc2c1COC2
C497825	Cc1cccc(NC(=O)C2=C(O)CCCC2=O)c1
C497826	COc1ccccc1Cc1ccc(C2CNCCO2)nc1
C497827	Cc1ccc2c(c1)ncn2CC(=O)O
C497828	CC(=O)C(C)c1ccccc1Cl
C497830	COC(=O)C=C(Br)C(=O)OC
C497831	Cc1cc2c(CC#N)nccn2n1
C497832	Oc1cc(Cl)nnc1-c1ccc(Cl)nc1
C497835	Cc1ccc(S(=O)(=O)OC2CCC(=O)NC2)cc1
C497836	CC(=O)c1ccc(Br)c2c1OCO2
C497838	CN(C)C(=O)C(=O)CBr
C497842	COCCCOC1(CBr)CC(NS(=O)(=O)c2ccc(C)cc2)C1
C497845	CN(C)Cc1nc(Br)n(COCC[Si](C)(C)C)n1