pubchem_cid	pubchem_cid_parent	canonical_smiles	canonical_smiles_parent
119	119	C(CC(=O)O)CN	C(CC(=O)O)CN
137	137	C(CC(=O)O)C(=O)CN	C(CC(=O)O)C(=O)CN
143	143	C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
174	174	C(CO)O	C(CO)O
175	176	CC(=O)[O-]	CC(=O)O
187	187	CC(=O)OCC[N+](C)(C)C	CC(=O)OCC[N+](C)(C)C
206	206	C(C1C(C(C(C(O1)O)O)O)O)O	C(C1C(C(C(C(O1)O)O)O)O)O
247	248	C[N+](C)(C)CC(=O)[O-]	C[N+](C)(C)CC(=O)O
271	271	[Ca+2]	[Ca+2]
280	280	C(=O)=O	C(=O)=O
312	312	[Cl-]	[Cl-]
338	338	C1=CC=C(C(=C1)C(=O)O)O	C1=CC=C(C(=C1)C(=O)O)O
402	402	S	S
444	444	CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C	CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C
564	564	C(CCC(=O)O)CCN	C(CCC(=O)O)CCN
598	598	C(CS(=O)(=O)O)S	C(CS(=O)(=O)O)S
612	612	CC(C(=O)O)O	CC(C(=O)O)O
679	679	CS(=O)C	CS(=O)C
681	681	C1=CC(=C(C=C1CCN)O)O	C1=CC(=C(C=C1CCN)O)O
702	702	CCO	CCO
727	727	C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl	C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl
750	750	C(C(=O)O)N	C(C(=O)O)N
753	753	C(C(CO)O)O	C(C(CO)O)O
772	772	CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O	CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O
774	774	C1=C(NC=N1)CCN	C1=C(NC=N1)CCN
784	784	OO	OO
785	785	C1=CC(=CC=C1O)O	C1=CC(=CC=C1O)O
807	807	II	II
888	888	[Mg+2]	[Mg+2]
937	938	C1=CC(=CN=C1)C(=O)[O-]	C1=CC(=CN=C1)C(=O)O
942	942	CN1CCCC1C2=CN=CC=C2	CN1CCCC1C2=CN=CC=C2
947	947	N#N	N#N
948	948	N#[N+][O-]	N#[N+][O-]
977	977	O=O	O=O
978	978	C1=CC(=CC=C1C(=O)O)N	C1=CC(=CC=C1C(=O)O)N
996	996	C1=CC=C(C=C1)O	C1=CC=C(C=C1)O
1046	1046	C1=CN=C(C=N1)C(=O)N	C1=CN=C(C=N1)C(=O)N
1054	1054	CC1=NC=C(C(=C1O)CO)CO	CC1=NC=C(C(=C1O)CO)CO
1130	1130	CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO	CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO
1176	1176	C(=O)(N)N	C(=O)(N)N
1775	1775	C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3	C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3
1935	1935	C1CCC2=NC3=CC=CC=C3C(=C2C1)N	C1CCC2=NC3=CC=CC=C3C(=C2C1)N
1978	1978	CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C	CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C
1983	1983	CC(=O)NC1=CC=C(C=C1)O	CC(=O)NC1=CC=C(C=C1)O
1986	1986	CC(=O)NC1=NN=C(S1)S(=O)(=O)N	CC(=O)NC1=NN=C(S1)S(=O)(=O)N
2019	2019	CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C	CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C
2022	2022	C1=NC2=C(N1COCCO)NC(=NC2=O)N	C1=NC2=C(N1COCCO)NC(=NC2=O)N
2082	2082	CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)OC	CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)OC
2083	2083	CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O	CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O
2088	2088	C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN	C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN
2092	2092	CN(CCCNC(=O)C1CCCO1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC	CN(CCCNC(=O)C1CCCO1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC
2094	2094	C1=C2C(=NC=NC2=O)NN1	C1=C2C(=NC=NC2=O)NN1
2099	2099	CC1=C(N=CN1)CN2CCC3=C(C2=O)C4=CC=CC=C4N3C	CC1=C(N=CN1)CN2CCC3=C(C2=O)C4=CC=CC=C4N3C
2118	2118	CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4	CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4
2123	2123	CN(C)C1=NC(=NC(=N1)N(C)C)N(C)C	CN(C)C1=NC(=NC(=N1)N(C)C)N(C)C
2130	2130	C1C2CC3CC1CC(C2)(C3)N	C1C2CC3CC1CC(C2)(C3)N
2131	2131	CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC2=CC=CC=C2Cl	CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC2=CC=CC=C2Cl
2140	2140	CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I	CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I
2141	2141	C(CN)CNCCSP(=O)(O)O	C(CN)CNCCSP(=O)(O)O
2145	2145	CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N	CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N
2148	2148	C1=CC(=CC=C1C(=O)NCC(=O)O)N	C1=CC(=CC=C1C(=O)NCC(=O)O)N
2153	2153	CN1C2=C(C(=O)N(C1=O)C)NC=N2	CN1C2=C(C(=O)N(C1=O)C)NC=N2
2156	2157	CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCC[NH+](CC)CC)I	CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I
2160	2160	CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31	CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31
2161	2161	CC(C)C1=CC2=C(C=C1)OC3=NC(=C(C=C3C2=O)C(=O)O)N	CC(C)C1=CC2=C(C=C1)OC3=NC(=C(C=C3C2=O)C(=O)O)N
2162	2162	CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN	CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN
2170	2170	C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl	C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl
2179	2179	COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42	COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42
2182	2182	C1C2=C(C=CC(=C2Cl)Cl)NC3=NC(=O)CN31	C1C2=C(C=CC(=C2Cl)Cl)NC3=NC(=O)CN31
2187	2187	CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N	CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N
2216	2216	C1CN=C(N1)NC2=C(C=C(C=C2Cl)N)Cl	C1CN=C(N1)NC2=C(C=C(C=C2Cl)N)Cl
2244	2244	CC(=O)OC1=CC=CC=C1C(=O)O	CC(=O)OC1=CC=CC=C1C(=O)O
2249	2249	CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O	CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O
2265	2265	CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]	CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]
2266	2266	C(CCCC(=O)O)CCCC(=O)O	C(CCCC(=O)O)CCCC(=O)O
2267	2267	CN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl	CN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl
2284	2284	C1=CC(=CC=C1C(CC(=O)O)CN)Cl	C1=CC(=CC=C1C(CC(=O)O)CN)Cl
2335	2335	CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2	CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2
2337	2337	CCOC(=O)C1=CC=C(C=C1)N	CCOC(=O)C1=CC=C(C=C1)N
2349	2349	CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C	CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C
2366	2366	CNCCC1=CC=CC=N1	CNCCC1=CC=CC=N1
2369	2369	CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O	CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O
2370	2370	CC(C[N+](C)(C)C)OC(=O)N	CC(C[N+](C)(C)C)OC(=O)N
2375	2375	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O	CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O
2381	2381	C1CCN(CC1)CCC(C2CC3CC2C=C3)(C4=CC=CC=C4)O	C1CCN(CC1)CCC(C2CC3CC2C=C3)(C4=CC=CC=C4)O
2391	2391	CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=N3	CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=N3
2405	2405	CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O	CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O
2431	2431	CC[N+](C)(C)CC1=CC=CC=C1Br	CC[N+](C)(C)CC1=CC=CC=C1Br
2435	2435	C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br	C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br
2441	2441	C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3	C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3
2471	2471	CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2	CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2
2474	2474	CCCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C	CCCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C
2477	2477	C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4	C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4
2478	2478	CS(=O)(=O)OCCCCOS(=O)(=O)C	CS(=O)(=O)OCCCCOS(=O)(=O)C
2484	2484	CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=CC=CC3=CC=CC=C32	CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=CC=CC3=CC=CC=C32
2519	2519	CN1C=NC2=C1C(=O)N(C(=O)N2C)C	CN1C=NC2=C1C(=O)N(C(=O)N2C)C
2520	2520	CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC	CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC
2541	2541	CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O	CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O
2551	2551	C[N+](C)(C)CCOC(=O)N	C[N+](C)(C)CCOC(=O)N
2554	2554	C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N	C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N
2564	2564	CN(C)CCOC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2	CN(C)CCOC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2
2576	2576	CCCC(C)(COC(=O)N)COC(=O)NC(C)C	CCCC(C)(COC(=O)N)COC(=O)NC(C)C
2578	2578	C(CCl)NC(=O)N(CCCl)N=O	C(CCl)NC(=O)N(CCCl)N=O
2583	2583	CC(C)(C)NCC(COC1=CC=CC2=C1CCC(=O)N2)O	CC(C)(C)NCC(COC1=CC=CC2=C1CCC(=O)N2)O
2585	2585	COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O	COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O
2610	2610	CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O	CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O
2616	2616	CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)O	CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)O
2662	2662	CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F	CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
2678	2678	C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl	C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
2708	2708	C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl	C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl
2710	2710	CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl	CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
2712	2712	CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O	CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O
2719	2719	CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl	CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl
2720	2720	C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2	C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2
2723	2723	CC1=CC(=CC(=C1Cl)C)O	CC1=CC(=CC(=C1Cl)C)O
2726	2726	CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl	CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
2727	2727	CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl	CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl
2732	2732	C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O	C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O
2733	2733	C1=CC2=C(C=C1Cl)NC(=O)O2	C1=CC2=C(C=C1Cl)NC(=O)O2
2749	2749	CC1=CC(=O)N(C(=C1)C2CCCCC2)O	CC1=CC(=O)N(C(=C1)C2CCCCC2)O
2756	2756	CC1=C(N=CN1)CSCCNC(=NC)NC#N	CC1=C(N=CN1)CSCCNC(=NC)NC#N
2762	2762	CCN1C2=CC3=C(C=C2C(=O)C(=N1)C(=O)O)OCO3	CCN1C2=CC3=C(C=C2C(=O)C(=N1)C(=O)O)OCO3
2764	2764	C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O	C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O
2770	2770	Cl[Pt]Cl	Cl[Pt]Cl
2771	2771	CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F	CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F
2789	2789	CN1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3	CN1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
2794	2794	CC(C)N=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)Cl)C=C1NC5=CC=C(C=C5)Cl	CC(C)N=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)Cl)C=C1NC5=CC=C(C=C5)Cl
2801	2801	CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl	CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl
2802	2802	C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl	C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl
2803	2803	C1CN=C(N1)NC2=C(C=CC=C2Cl)Cl	C1CN=C(N1)NC2=C(C=CC=C2Cl)Cl
2812	2812	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4	C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4
2818	2818	CN1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl	CN1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl
2881	2882	C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)[O-])O)C(=O)C=C(O2)C(=O)[O-]	C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)O)O)C(=O)C=C(O2)C(=O)O
2895	2895	CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31	CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31
2905	2905	CN(C)CCOC(=O)C(C1=CC=CC=C1)C2(CCCC2)O	CN(C)CCOC(=O)C(C1=CC=CC=C1)C2(CCCC2)O
2907	2907	C1CNP(=O)(OC1)N(CCCl)CCCl	C1CNP(=O)(OC1)N(CCCl)CCCl
2913	2913	CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1	CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1
2955	2955	C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N	C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N
2972	2972	CC1=C(C(=O)C=CN1C)O	CC1=C(C(=O)C=CN1C)O
2973	2973	CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O	CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O
2995	2995	CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31	CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31
3007	3007	CC(CC1=CC=CC=C1)N	CC(CC1=CC=CC=C1)N
3009	3009	C(CC(C(F)F)(C(=O)O)N)CN	C(CC(C(F)F)(C(=O)O)N)CN
3016	3016	CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3	CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
3019	3019	CC1=NS(=O)(=O)C2=C(N1)C=CC(=C2)Cl	CC1=NS(=O)(=O)C2=C(N1)C=CC(=C2)Cl
3032	3033	C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl	C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl
3042	3042	CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2	CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2
3059	3059	C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O)O	C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O)O
3080	3080	C(C(CS)S)O	C(C(CS)S)O
3100	3100	CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2	CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2
3105	3105	CC(C)(C)C(=O)OC1=C(C=C(C=C1)C(CNC)O)OC(=O)C(C)(C)C	CC(C)(C)C(=O)OC1=C(C=C(C=C1)C(CNC)O)OC(=O)C(C)(C)C
3108	3108	C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO	C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO
3114	3114	CC(C)N(CCC(C1=CC=CC=C1)(C2=CC=CC=N2)C(=O)N)C(C)C	CC(C)N(CCC(C1=CC=CC=C1)(C2=CC=CC=N2)C(=O)N)C(C)C
3117	3117	CCN(CC)C(=S)SSC(=S)N(CC)CC	CCN(CC)C(=S)SSC(=S)N(CC)CC
3121	3121	CCCC(CCC)C(=O)O	CCCC(CCC)C(=O)O
3148	3148	C1C2CC3CC(CC1N3CC2=O)OC(=O)C4=CNC5=CC=CC=C54	C1C2CC3CC(CC1N3CC2=O)OC(=O)C4=CNC5=CC=CC=C54
3151	3151	C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O	C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O
3152	3152	COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC	COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC
3156	3156	CCN1CC(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CCN4CCOCC4	CCN1CC(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CCN4CCOCC4
3157	3157	COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)N)OC	COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)N)OC
3161	3161	CC1C2C(C3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O	CC1C2C(C3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O
3162	3162	CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C	CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C
3168	3168	C1CN(CC=C1N2C3=CC=CC=C3NC2=O)CCCC(=O)C4=CC=C(C=C4)F	C1CN(CC=C1N2C3=CC=CC=C3NC2=O)CCCC(=O)C4=CC=C(C=C4)F
3180	3180	CCCCOC1=CC=C(C=C1)C(=O)CCN2CCCCC2	CCCCOC1=CC=C(C=C1)C(=O)CCN2CCCCC2
3182	3182	CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O	CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O
3198	3198	C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl	C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl
3219	3219	CCOCCN1C2=CC=CC=C2N=C1N3CCCN(CC3)C	CCOCCN1C2=CC=CC=C2N=C1N3CCCN(CC3)C
3226	3226	C(C(OC(F)F)(F)F)(F)Cl	C(C(OC(F)F)(F)F)(F)Cl
3241	3241	C1C2C3=CC=CC=C3CC4=CC=CC=C4N2C(=N1)N	C1C2C3=CC=CC=C3CC4=CC=CC=C4N2C(=N1)N
3261	3261	C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4	C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4
3278	3278	CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl	CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl
3291	3291	CCC1(CC(=O)NC1=O)C	CCC1(CC(=O)NC1=O)C
3292	3292	CCN1C(=O)C(NC1=O)C2=CC=CC=C2	CCN1C(=O)C(NC1=O)C2=CC=CC=C2
3305	3305	CC(O)(P(=O)(O)O)P(=O)(O)O	CC(O)(P(=O)(O)O)P(=O)(O)O
3308	3308	CCC1=CC=CC2=C1NC3=C2CCOC3(CC)CC(=O)O	CCC1=CC=CC2=C1NC3=C2CCOC3(CC)CC(=O)O
3324	3324	CC(=O)OCC(CCN1C=NC2=CN=C(N=C21)N)COC(=O)C	CC(=O)OCC(CCN1C=NC2=CN=C(N=C21)N)COC(=O)C
3331	3331	C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N	C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N
3333	3333	CCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C	CCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C
3339	3339	CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl	CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl
3340	3341	C1C[NH2+]CC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=C(C=C3)O	C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=C(C=C3)O
3342	3342	CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)O	CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)O
3345	3345	CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3	CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3
3348	3348	CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O	CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O
3354	3354	CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCCCC3)C4=CC=CC=C4	CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCCCC3)C4=CC=CC=C4
3355	3356	C1CCNC(C1)C[NH2+]C(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F	C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F
3365	3365	C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O	C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O
3366	3366	C1=NC(=O)NC(=C1F)N	C1=NC(=O)NC(=C1F)N
3372	3372	C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO	C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO
3373	3373	CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C	CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C
3385	3385	C1=C(C(=O)NC(=O)N1)F	C1=C(C(=O)NC(=O)N1)F
3386	3386	CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F	CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F
3393	3393	CCN(CC)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F	CCN(CC)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F
3394	3394	CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O	CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O
3397	3397	CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F	CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F
3406	3406	CC1=CNN=C1	CC1=CNN=C1
3410	3410	CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O	CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O
3414	3415	C(=O)([O-])P(=O)([O-])[O-]	C(=O)(O)P(=O)(O)O
3440	3440	C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl	C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl
3446	3446	C1CCC(CC1)(CC(=O)O)CN	C1CCC(CC1)(CC(=O)O)CN
3454	3454	C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N	C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N
3463	3463	CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O	CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O
3467	3467	CC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)NC	CC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)NC
3475	3475	CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2	CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2
3476	3476	CCC1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C	CCC1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C
3478	3478	CC1=NC=C(N=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3	CC1=NC=C(N=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3
3488	3488	COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3	COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3
3494	3494	C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C	C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C
3510	3510	CN1C2CCCC1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C	CN1C2CCCC1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C
3516	3516	COC1=CC=CC=C1OCC(CO)O	COC1=CC=CC=C1OCC(CO)O
3519	3519	C1=CC(=C(C(=C1)Cl)CC(=O)N=C(N)N)Cl	C1=CC(=C(C(=C1)Cl)CC(=O)N=C(N)N)Cl
3559	3559	C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F	C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F
3562	3562	C(C(F)(F)F)(Cl)Br	C(C(F)(F)F)(Cl)Br
3598	3598	C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl	C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl
3637	3637	C1=CC=C2C(=C1)C=NN=C2NN	C1=CC=C2C(=C1)C=NN=C2NN
3639	3639	C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl	C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl
3647	3647	C1NC2=C(C=C(C(=C2)C(F)(F)F)S(=O)(=O)N)S(=O)(=O)N1	C1NC2=C(C=C(C(=C2)C(F)(F)F)S(=O)(=O)N)S(=O)(=O)N1
3652	3652	CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO	CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO
3657	3657	C(=O)(N)NO	C(=O)(N)NO
3658	3658	C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl	C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
3672	3672	CC(C)CC1=CC=C(C=C1)C(C)C(=O)O	CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
3675	3675	C1=CC=C(C=C1)CCNN	C1=CC=C(C=C1)CCNN
3676	3676	CCN(CC)CC(=O)NC1=C(C=CC=C1C)C	CCN(CC)CC(=O)NC1=C(C=CC=C1C)C
3686	3686	CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCO	CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCO
3690	3690	C1CN(P(=O)(OC1)NCCCl)CCCl	C1CN(P(=O)(OC1)NCCCl)CCCl
3696	3696	CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31	CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31
3698	3698	C1=CN=CC=C1C2=CNC(=O)C(=C2)N	C1=CN=CC=C1C2=CNC(=O)C(=C2)N
3702	3702	CC1CC2=CC=CC=C2N1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N	CC1CC2=CC=CC=C2N1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N
3715	3715	CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O	CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
3724	3724	CC(=O)N(CC(CN(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)C)O)C2=C(C(=C(C(=C2I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I	CC(=O)N(CC(CN(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)C)O)C2=C(C(=C(C(=C2I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I
3730	3730	CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I	CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I
3736	3736	CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)NC(=O)COC)I	CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)NC(=O)COC)I
3737	3737	CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NC)I	CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NC)I
3739	3739	C1=C(C(=C(C(=C1I)NC(=O)CCCCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I	C1=C(C(=C(C(=C1I)NC(=O)CCCCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I
3741	3741	C(CO)N(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)CO	C(CO)N(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)CO
3742	3742	CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)NCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NCCO)I)I)C(=O)NC)I	CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)NCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NCCO)I)I)C(=O)NC)I
3743	3743	CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCCO)I	CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCCO)I
3746	3746	CC(C)[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C	CC(C)[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C
3749	3749	CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5	CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5
3759	3759	CC1=CC(=NO1)C(=O)NNCC2=CC=CC=C2	CC1=CC(=NO1)C(=O)NNCC2=CC=CC=C2
3763	3763	C(C(F)(F)F)(OC(F)F)Cl	C(C(F)(F)F)(OC(F)F)Cl
3767	3767	C1=CN=CC=C1C(=O)NN	C1=CN=CC=C1C(=O)NN
3776	3776	CC(C)O	CC(C)O
3779	3779	CC(C)NCC(C1=CC(=C(C=C1)O)O)O	CC(C)NCC(C1=CC(=C(C=C1)O)O)O
3783	3783	CC(COC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O	CC(COC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O
3784	3784	CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC3=NON=C32)C(=O)OC	CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC3=NON=C32)C(=O)OC
3793	3793	CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl	CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl
3821	3821	CNC1(CCCCC1=O)C2=CC=CC=C2Cl	CNC1(CCCCC1=O)C2=CC=CC=C2Cl
3825	3825	CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O	CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O
3826	3826	C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O	C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O
3827	3827	CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1	CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1
3830	3830	C1=COC(=C1)CNC2=NC=NC3=C2NC=N3	C1=COC(=C1)CNC2=NC=NC3=C2NC=N3
3869	3869	CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O	CC(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)N)O
3878	3878	C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N	C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N
3883	3883	CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F	CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F
3899	3899	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F	CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F
3902	3902	C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3	C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3
3911	3911	CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6	CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6
3948	3948	CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNC(C3)C)F)C(=O)O	CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNC(C3)C)F)C(=O)O
3950	3950	C1CCC(CC1)NC(=O)N(CCCl)N=O	C1CCC(CC1)NC(=O)N(CCCl)N=O
3954	3955	CN(C)C(=O)C(CC[NH+]1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4	CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4
3957	3957	CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1	CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1
3958	3958	C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O)Cl	C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O)Cl
3961	3961	CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl	CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl
3964	3964	CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl	CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl
3998	3998	C1=CC(=CC=C1CN)S(=O)(=O)N	C1=CC(=CC=C1CN)S(=O)(=O)N
4004	4004	CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC	CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC
4011	4011	CNCCCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24	CNCCCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24
4030	4030	COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3	COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3
4032	4032	CC1(C2CCC(C2)C1(C)NC)C	CC1(C2CCC(C2)C1(C)NC)C
4033	4033	CN(CCCl)CCCl	CN(CCCl)CCCl
4034	4034	CC1=CC(=CC=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl	CC1=CC(=CC=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
4036	4037	CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)[O-])Cl	CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)O)Cl
4044	4044	CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C	CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C
4054	4054	CC12CC3CC(C1)(CC(C3)(C2)N)C	CC12CC3CC(C1)(CC(C3)(C2)N)C
4057	4057	C[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C	C[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C
4058	4058	CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2	CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2
4060	4060	CCC1(C(=O)N(C(=O)N1)C)C2=CC=CC=C2	CCC1(C(=O)N(C(=O)N1)C)C2=CC=CC=C2
4062	4062	CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2C	CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2C
4064	4064	CCCC(C)(COC(=O)N)COC(=O)N	CCCC(C)(COC(=O)N)COC(=O)N
4075	4075	C1=CC(=C(C=C1N)C(=O)O)O	C1=CC(=C(C=C1N)C(=O)O)O
4078	4078	CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)C	CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)C
4086	4086	CC(C)NCC(C1=CC(=CC(=C1)O)O)O	CC(C)NCC(C1=CC(=CC(=C1)O)O)O
4091	4091	CN(C)C(=N)N=C(N)N	CN(C)C(=N)N=C(N)N
4095	4095	CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2	CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2
4100	4100	CC(=O)N=C1N(N=C(S1)S(=O)(=O)N)C	CC(=O)N=C1N(N=C(S1)S(=O)(=O)N)C
4101	4101	C1N2CN3CN1CN(C2)C3	C1N2CN3CN1CN(C2)C3
4107	4107	COC1=CC=CC=C1OCC(COC(=O)N)O	COC1=CC=CC=C1OCC(COC(=O)N)O
4112	4112	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
4114	4114	COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2	COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2
4120	4120	C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C	C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C
4121	4121	CN1C(NC2=CC(=C(C=C2S1(=O)=O)S(=O)(=O)N)Cl)CCl	CN1C(NC2=CC(=C(C=C2S1(=O)=O)S(=O)(=O)N)Cl)CCl
4139	4139	CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2	CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2
4158	4158	COC(=O)C(C1CCCCN1)C2=CC=CC=C2	COC(=O)C(C1CCCCN1)C2=CC=CC=C2
4168	4168	CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl	CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl
4170	4170	CC1NC2=CC(=C(C=C2C(=O)N1C3=CC=CC=C3C)S(=O)(=O)N)Cl	CC1NC2=CC(=C(C=C2C(=O)N1C3=CC=CC=C3C)S(=O)(=O)N)Cl
4171	4171	CC(C)NCC(COC1=CC=C(C=C1)CCOC)O	CC(C)NCC(COC1=CC=C(C=C1)CCOC)O
4173	4173	CC1=NC=C(N1CCO)[N+](=O)[O-]	CC1=NC=C(N1CCO)[N+](=O)[O-]
4174	4174	CC(C)(C1=CN=CC=C1)C(=O)C2=CN=CC=C2	CC(C)(C1=CN=CC=C1)C(=O)C2=CN=CC=C2
4178	4178	CC1=C(C(=CC=C1)C)OCC(C)N	CC1=C(C(=CC=C1)C)OCC(C)N
4189	4189	C1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl	C1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
4192	4192	CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F	CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F
4195	4195	COC1=CC(=C(C=C1)OC)C(CNC(=O)CN)O	COC1=CC(=C(C=C1)OC)C(CNC(=O)CN)O
4197	4197	CC1=C(C=C(C(=O)N1)C#N)C2=CC=NC=C2	CC1=C(C=C(C(=O)N1)C#N)C2=CC=NC=C2
4201	4201	C1CCN(CC1)C2=NC(=N)N(C(=C2)N)O	C1CCN(CC1)C2=NC(=N)N(C(=C2)N)O
4205	4205	CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4	CN1CCN2C(C1)C3=CC=CC=C3CC4=C2N=CC=C4
4211	4211	C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl	C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl
4212	4212	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO	C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO
4236	4236	C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)N	C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)N
4409	4409	CC(=O)CCC1=CC2=C(C=C1)C=C(C=C2)OC	CC(=O)CCC1=CC2=C(C=C1)C=C(C=C2)OC
4421	4421	CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O	CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O
4436	4436	C1CN=C(N1)CC2=CC=CC3=CC=CC=C32	C1CN=C(N1)CC2=CC=CC3=CC=CC=C32
4440	4440	CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C	CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C
4449	4449	CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl	CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl
4454	4454	C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N	C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N
4456	4456	CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C	CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C
4463	4463	CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4	CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4
4473	4474	CC1=C(C(C(=C(N1)C)C(=O)OCC[NH+](C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC	CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC
4485	4485	CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC	CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC
4493	4493	CC1(C(=O)N(C(=O)N1)C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)C	CC1(C(=O)N(C(=O)N1)C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)C
4497	4497	CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC	CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC
4499	4499	CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC	CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC
4506	4506	C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3	C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3
4510	4510	C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]	C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]
4539	4539	CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O	CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O
4543	4543	CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31	CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31
4567	4567	CC(CCC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O	CC(CCC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O
4583	4583	CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O	CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O
4585	4585	CC1=CC2=C(NC3=CC=CC=C3N=C2S1)N4CCN(CC4)C	CC1=CC2=C(NC3=CC=CC=C3N=C2S1)N4CCN(CC4)C
4594	4594	CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC	CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC
4595	4595	CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C	CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C
4601	4601	CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C	CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C
4614	4614	C1=CC=C(C=C1)C2=C(OC(=N2)CCC(=O)O)C3=CC=CC=C3	C1=CC=C(C=C1)C2=C(OC(=N2)CCC(=O)O)C3=CC=CC=C3
4616	4616	C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O	C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O
4634	4634	CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O	CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O
4636	4636	CC1=CC(=C(C(=C1CC2=NCCN2)C)O)C(C)(C)C	CC1=CC(=C(C(=C1CC2=NCCN2)C)O)C(C)(C)C
4649	4649	C1=CC(=C(C=C1N)O)C(=O)O	C1=CC(=C(C=C1N)O)C(=O)O
4673	4674	C(CN)C(O)(P(=O)(O)[O-])P(=O)(O)[O-].[Na+].[Na+]	C(CN)C(O)(P(=O)(O)O)P(=O)(O)O
4679	4679	COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC	COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC
4680	4680	COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC	COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC
4723	4723	C1=CC=C(C=C1)C2C(=O)N=C(O2)N	C1=CC=C(C=C1)C2C(=O)N=C(O2)N
4725	4725	C1=NC2=C(N1CCC(CO)CO)NC(=NC2=O)N	C1=NC2=C(N1CCC(CO)CO)NC(=NC2=O)N
4737	4737	CCCC(C)C1(C(=O)NC(=O)NC1=O)CC	CCCC(C)C1(C(=O)NC(=O)NC1=O)CC
4740	4740	CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C	CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C
4748	4748	C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO	C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO
4756	4756	C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N	C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N
4763	4763	CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2	CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2
4768	4768	CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2	CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2
4771	4771	CC(C)(CC1=CC=CC=C1)N	CC(C)(CC1=CC=CC=C1)N
4775	4775	C1=CC=C(C=C1)CCCC(=O)O	C1=CC=C(C=C1)CCCC(=O)O
4828	4828	CC(C)NCC(COC1=CC=CC2=C1C=CN2)O	CC(C)NCC(COC1=CC=CC2=C1C=CN2)O
4829	4829	CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3	CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3
4845	4845	CC(C)(C)NCC(C1=NC(=C(C=C1)O)CO)O	CC(C)(C)NCC(C1=NC(=C(C=C1)O)CO)O
4870	4870	CN1C(NC2=CC(=C(C=C2S1(=O)=O)S(=O)(=O)N)Cl)CSCC(F)(F)F	CN1C(NC2=CC(=C(C=C2S1(=O)=O)S(=O)(=O)N)Cl)CSCC(F)(F)F
4886	4886	CCCCOC1=CC=C(C=C1)OCCCN2CCOCC2	CCCCOC1=CC=C(C=C1)OCCCN2CCOCC2
4891	4891	C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2	C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2
4893	4893	COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)N)OC	COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)N)OC
4906	4906	CCCNC(C)C(=O)NC1=CC=CC=C1C	CCCNC(C)C(=O)NC1=CC=CC=C1C
4908	4908	CC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2	CC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2
4909	4909	CCC1(C(=O)NCNC1=O)C2=CC=CC=C2	CCC1(C(=O)NCNC1=O)C2=CC=CC=C2
4911	4911	CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O	CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O
4912	4912	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
4913	4913	CCN(CC)CCNC(=O)C1=CC=C(C=C1)N	CCN(CC)CCNC(=O)C1=CC=C(C=C1)N
4914	4914	CCN(CC)CCOC(=O)C1=CC=C(C=C1)N	CCN(CC)CCOC(=O)C1=CC=C(C=C1)N
4915	4915	CC(C)NC(=O)C1=CC=C(C=C1)CNNC	CC(C)NC(=O)C1=CC=C(C=C1)CNNC
4917	4917	CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl	CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
4919	4919	C1CCC(CC1)C(CCN2CCCC2)(C3=CC=CC=C3)O	C1CCC(CC1)C(CCN2CCCC2)(C3=CC=CC=C3)O
4927	4927	CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C	CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C
4932	4932	CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O	CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O
4934	4934	CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C(C)C	CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C(C)C
4935	4935	CCCOC1=C(C=C(C=C1)C(=O)OCCN(CC)CC)N	CCCOC1=C(C=C(C=C1)C(=O)OCCN(CC)CC)N
4943	4943	CC(C)C1=C(C(=CC=C1)C(C)C)O	CC(C)C1=C(C(=CC=C1)C(C)C)O
4946	4946	CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O	CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O
4976	4976	CNCCCC1C2=CC=CC=C2C=CC3=CC=CC=C13	CNCCCC1C2=CC=CC=C2C=CC3=CC=CC=C13
4991	4991	C[N+]1=CC=CC(=C1)OC(=O)N(C)C	C[N+]1=CC=CC(=C1)OC(=O)N(C)C
4993	4993	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl	CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl
4999	4999	C1C(=S)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(F)(F)F	C1C(=S)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(F)(F)F
5002	5002	C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42	C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42
5029	5029	CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCCOC	CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCCOC
5035	5035	C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O	C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O
5070	5070	C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)N	C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)N
5071	5071	CC(C12CC3CC(C1)CC(C3)C2)N	CC(C12CC3CC(C1)CC(C3)C2)N
5073	5073	CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F	CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F
5078	5078	CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3	CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3
5090	5090	CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3	CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3
5095	5095	CCCN(CCC)CCC1=C2CC(=O)NC2=CC=C1	CCCN(CCC)CCC1=C2CC(=O)NC2=CC=C1
5152	5152	C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O	C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O
5161	5161	C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2C(=O)O)O	C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2C(=O)O)O
5193	5193	CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C	CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C
5206	5206	C(OC(C(F)(F)F)C(F)(F)F)F	C(OC(C(F)(F)F)C(F)(F)F)F
5210	5210	CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N(C)C	CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N(C)C
5212	5212	CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C	CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C
5214	5215	C1=CN=C(N=C1)[NH2+]S(=[OH+])(=O)C2=CC=C(C=C2)N.[Ag+]	C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N
5215	5215	C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N	C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N
5238	5238	[Na+].[I-]	[Na+].[I-]
5245	5245	C1=CC(=CN=C1)CC(O)(P(=O)(O)O)P(=O)(O)O	C1=CC(=CN=C1)CC(O)(P(=O)(O)O)P(=O)(O)O
5253	5253	CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O	CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O
5291	5291	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5
5311	5311	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO	C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO
5314	5314	C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C	C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C
5318	5318	C1=CC(=CC=C1CSC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl	C1=CC(=CC=C1CSC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl
5320	5320	CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N	CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N
5333	5333	C1=CC(=CC=C1N)S(=O)(=O)N	C1=CC(=CC=C1N)S(=O)(=O)N
5344	5344	CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N	CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N
5358	5358	CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C	CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C
5359	5359	CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)O	CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)O
5379	5379	CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F	CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F
5381	5381	CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2)SCCC3(C)C	CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2)SCCC3(C)C
5391	5391	CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3	CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3
5394	5394	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N	CN1C(=O)N2C=NC(=C2N=N1)C(=O)N
5401	5401	COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OC	COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OC
5403	5403	CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O	CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O
5411	5411	CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C	CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C
5419	5419	C1CC(C2=CC=CC=C2C1)C3=NCCN3	C1CC(C2=CC=CC=C2C1)C3=NCCN3
5426	5426	C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC=C3C2=O	C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC=C3C2=O
5430	5430	C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3	C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3
5452	5452	CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC	CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC
5453	5453	C1CN1P(=S)(N2CC2)N3CC3	C1CN1P(=S)(N2CC2)N3CC3
5472	5472	C1CN(CC2=C1SC=C2)CC3=CC=CC=C3Cl	C1CN(CC2=C1SC=C2)CC3=CC=CC=C3Cl
5479	5479	CCS(=O)(=O)CCN1C(=NC=C1[N+](=O)[O-])C	CCS(=O)(=O)CCN1C(=NC=C1[N+](=O)[O-])C
5482	5482	C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)OCC3=C(SC=C3)Cl	C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)OCC3=C(SC=C3)Cl
5487	5487	C1CN=C(N1)NC2=C(C=CC3=NSN=C32)Cl	C1CN=C(N1)NC2=C(C=CC3=NSN=C32)Cl
5503	5503	CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2	CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2
5505	5505	CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C	CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C
5508	5509	CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)[O-]	CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)O
5510	5510	CC1=CC(=CC=C1)N(C)C(=S)OC2=CC3=CC=CC=C3C=C2	CC1=CC(=CC=C1)N(C)C(=S)OC2=CC3=CC=CC=C3C=C2
5526	5526	C1CC(CCC1CN)C(=O)O	C1CC(CCC1CN)C(=O)O
5533	5533	C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl	C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl
5546	5546	C1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N	C1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N
5556	5556	CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl	CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl
5564	5564	C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl	C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl
5566	5566	CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F	CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F
5572	5572	C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O	C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O
5574	5574	CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C	CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C
5578	5578	COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N	COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N
5582	5583	CC1=C(C=CC2=C1C(=[NH+]C(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC	CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC
5584	5584	CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)CN(C)C	CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)CN(C)C
5591	5591	CC1=C(C(=C2CCC(OC2=C1C)(C)COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4)C)O	CC1=C(C(=C2CCC(OC2=C1C)(C)COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4)C)O
5593	5593	CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2	CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2
5596	5596	C1CC[N+]2(C1)C3CCC2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O	C1CC[N+]2(C1)C3CCC2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O
5625	5625	CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C	CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C
5656	5656	CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O	CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O
5665	5665	C=CC(CCC(=O)O)N	C=CC(CCC(=O)O)N
5717	5717	CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CC3=CN(C4=C3C=C(C=C4)NC(=O)OC5CCCC5)C)OC	CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CC3=CN(C4=C3C=C(C=C4)NC(=O)OC5CCCC5)C)OC
5719	5719	CCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C#N)C(=O)C	CCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C#N)C(=O)C
5732	5732	CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C	CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C
5734	5734	C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N	C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N
5735	5735	CN1CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl	CN1CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl
5743	5743	CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C	CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C
5746	5746	CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)N	CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)N
5754	5754	CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O	CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O
5755	5755	CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O	CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O
5757	5757	CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O	CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O
5770	5770	COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC	COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC
5775	5775	CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC(=CC=C3)O	CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC(=CC=C3)O
5780	5780	C(C(C(C(C(CO)O)O)O)O)O	C(C(C(C(C(CO)O)O)O)O)O
5785	5785	C(C(C1C(=O)C(=C(O1)O)O)O)O	C(C(C1C(=O)C(=C(O1)O)O)O)O
5815	5815	CNCC(C1=CC(=C(C=C1)O)O)O.C(C(C(=O)O)O)(C(=O)O)O	CNCC(C1=CC(=C(C=C1)O)O)O.C(C(C(=O)O)O)(C(=O)O)O
5819	5819	C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)O)N	C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)O)N
5825	5825	CC(CC1=CC=CC=C1)N.CC(CC1=CC=CC=C1)N.OS(=O)(=O)O	CC(CC1=CC=CC=C1)N.CC(CC1=CC=CC=C1)N.OS(=O)(=O)O
5833	5833	CC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC5(C4(CC3)C)CCC(=O)O5)C	CC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC5(C4(CC3)C)CCC(=O)O5)C
5852	5852	CC(C)(C(C(=O)O)N)S	CC(C)(C(C(=O)O)N)S
5865	5865	CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C	CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C
5878	5878	CC12CCC3C(C1CCC2(C)O)CCC4C3(COC(=O)C4)C	CC12CCC3C(C1CCC2(C)O)CCC4C3(COC(=O)C4)C
5904	5904	CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C	CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C
5905	5905	C1C(C(OC1N2C=C(C(=O)NC2=O)I)CO)O	C1C(C(OC1N2C=C(C(=O)NC2=O)I)CO)O
5909	5910	CCC1C(COC1=O)CC2=CN=CN2C.Cl	CCC1C(COC1=O)CC2=CN=CN2C
5920	5920	C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)O)N)I)I)O	C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)O)N)I)I)O
5959	5959	C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]	C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
5961	5961	C(CC(=O)N)C(C(=O)O)N	C(CC(=O)N)C(C(=O)O)N
5978	5978	CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O	CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O
5983	5983	CC12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC)C)C	CC12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC)C)C
5991	5991	CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O	CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O
5994	5994	CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C	CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
6005	6005	CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O	CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O
6006	6006	C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
6010	6010	CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C)O)C	CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C)O)C
6013	6013	CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C	CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C
6018	6018	CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1=O)OC)OC	CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1=O)OC)OC
6037	6037	C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N	C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N
6041	6041	CNCC(C1=CC(=CC=C1)O)O	CNCC(C1=CC(=CC=C1)O)O
6049	6049	C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O	C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
6058	6058	C(CS)N	C(CS)N
6167	6167	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC	CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
6196	6196	CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O	CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O
6215	6215	CC1(OC2CC3C4CC(C5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)F)C	CC1(OC2CC3C4CC(C5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)F)C
6230	6230	CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34	CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34
6234	6234	C1C(C(=O)NO1)N	C1C(C(=O)NO1)N
6238	6238	CC(=O)C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O	CC(=O)C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O
6249	6249	CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C	CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C
6251	6251	C(C(C(C(C(CO)O)O)O)O)O	C(C(C(C(C(CO)O)O)O)O)O
6252	6253	C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O.Cl	C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O
6256	6256	C1C(C(OC1N2C=C(C(=O)NC2=O)C(F)(F)F)CO)O	C1C(C(OC1N2C=C(C(=O)NC2=O)C(F)(F)F)CO)O
6305	6305	C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N	C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N
6322	6322	C(CC(C(=O)O)N)CN=C(N)N	C(CC(C(=O)O)N)CN=C(N)N
6446	6446	CC12CCC(=O)C=C1CCC3C2(C(CC4(C3CCC4(C)O)C)O)F	CC12CCC(=O)C=C1CCC3C2(C(CC4(C3CCC4(C)O)C)O)F
6476	6476	CC1(CC(=O)N(C1=O)C)C2=CC=CC=C2	CC1(CC(=O)N(C1=O)C)C2=CC=CC=C2
6503	6503	C(C(CO)(CO)N)O	C(C(CO)(CO)N)O
6691	6691	CC(=O)CC(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)O	CC(=O)CC(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)O
6741	6741	CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O	CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O
6832	6832	CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4	CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4
6834	6834	CN(C)CCC(C1=CC=C(C=C1)Br)C2=CC=CC=N2	CN(C)CCC(C1=CC=C(C=C1)Br)C2=CC=CC=N2
6869	6869	CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C	CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C
6883	6883	C1C(C2C(O1)C(CO2)O[N+](=O)[O-])O[N+](=O)[O-]	C1C(C2C(O1)C(CO2)O[N+](=O)[O-])O[N+](=O)[O-]
7028	7028	CC(C(C1=CC=CC=C1)O)NC	CC(C(C1=CC=CC=C1)O)NC
7029	7029	CCN(CC)C(C)C(=O)C1=CC=CC=C1	CCN(CC)C(C)C(=O)C1=CC=CC=C1
7187	7187	C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2	C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2
7638	7638	C1=CC=C(C=C1)COC2=CC=C(C=C2)O	C1=CC=C(C=C1)COC2=CC=C(C=C2)O
7699	7699	CCCCNC1=CC=C(C=C1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC	CCCCNC1=CC=C(C=C1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC
8053	8053	CC(C)CCON=O	CC(C)CCON=O
8223	8223	CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C	CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C
8226	8226	CCC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C	CCC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C
8230	8230	C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N	C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N
8271	8271	CCC1(C(=O)NC(=O)N(C1=O)C)C2=CC=CC=C2	CCC1(C(=O)NC(=O)N(C1=O)C)C2=CC=CC=C2
8378	8378	C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N	C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N
8549	8549	COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O	COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O
8612	8612	CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)Cl	CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)Cl
8784	8784	C1=CC=C(C=C1)C=CC(=O)O	C1=CC=C(C=C1)C=CC(=O)O
8813	4735	C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O	C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N
9003	9004	CCCC[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C.[Br-]	CCCC[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C
9034	9034	CCC#CC(C)C1(C(=O)NC(=O)N(C1=O)C)CC=C	CCC#CC(C)C1(C(=O)NC(=O)N(C1=O)C)CC=C
9052	9052	CC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(OC3=CC=CC=C3C2=O)O	CC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(OC3=CC=CC=C3C2=O)O
9294	9294	CC(C(C1=CC=CC=C1)O)NC	CC(C(C1=CC=CC=C1)O)NC
9433	2153	CN1C2=C(C(=O)N(C1=O)C)NC=N2.CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CN)N	CN1C2=C(C(=O)N(C1=O)C)NC=N2
9444	9444	C1=NC(=NC(=O)N1C2C(C(C(O2)CO)O)O)N	C1=NC(=NC(=O)N1C2C(C(C(O2)CO)O)O)N
9642	9642	CC(=O)OCC(=O)C12C(CC3C1(CC(C4(C3CC(C5=CC(=O)C=CC54C)F)F)O)C)OC(O2)(C)C	CC(=O)OCC(=O)C12C(CC3C1(CC(C4(C3CC(C5=CC(=O)C=CC54C)F)F)O)C)OC(O2)(C)C
9651	9651	CN1CCC23C=CC(CC2OC4=C(C=CC(=C34)C1)OC)O	CN1CCC23C=CC(CC2OC4=C(C=CC(=C34)C1)OC)O
9681	9681	CCC(CO)NC(=O)C1CN(C2CC3=CN(C4=CC=CC(=C34)C2=C1)C)C	CCC(CO)NC(=O)C1CN(C2CC3=CN(C4=CC=CC(=C34)C2=C1)C)C
9782	9782	CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C	CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C
9873	9873	C(C(C(C(C(F)(F)Br)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F	C(C(C(C(C(F)(F)Br)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
9878	9878	CC1CC2C3CCC(C3(CC(C2(C4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)O	CC1CC2C3CCC(C3(CC(C2(C4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)O
9904	9904	CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34	CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34
10100	10100	CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C	CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C
10133	10133	CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C	CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
10340	767	C(=O)([O-])[O-].[Na+].[Na+]	C(=O)(O)O
10413	10413	C(CC(=O)O)CO	C(CC(=O)O)CO
10531	10531	CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C	CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C
10547	10548	CCOP(=O)(OCC)SCC[N+](C)(C)C.[I-]	CCOP(=O)(OCC)SCC[N+](C)(C)C
10607	10607	COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O	COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O
10631	10631	CC1CC2C(CCC3(C2CCC3(C(=O)C)O)C)C4(C1=CC(=O)CC4)C	CC1CC2C(CCC3(C2CCC3(C(=O)C)O)C)C4(C1=CC(=O)CC4)C
10836	10836	CC(CC1=CC=CC=C1)NC	CC(CC1=CC=CC=C1)NC
10917	10918	C[N+](C)(C)CC(CC(=O)[O-])O	C[N+](C)(C)CC(CC(=O)O)O
11333	11333	C(C1C(C(C(C(O1)OC2C(OC(C2O)(CO)O)CO)O)O)O)O	C(C1C(C(C(C(O1)OC2C(OC(C2O)(CO)O)CO)O)O)O)O
11339	11339	CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O	CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O
12035	12035	CC(=O)NC(CS)C(=O)O	CC(=O)NC(CS)C(=O)O
12555	12555	CN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3	CN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3
12560	12560	CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O	CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O
12620	12620	CCCCCCCCCCCCCCCCCCCCCCO	CCCCCCCCCCCCCCCCCCCCCCO
13109	13109	CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34	CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34
13344	311	C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[K+].[K+].[K+]	C(C(=O)O)C(CC(=O)O)(C(=O)O)O
14051	14052	CCC(CO)NCCNC(CC)CO.Cl.Cl	CCC(CO)NCCNC(CC)CO
14756	14756	CC1=C(C=C(C=C1)S(=O)(=O)O)C	CC1=C(C=C(C=C1)S(=O)(=O)O)C
14791	14791	[OH-].[OH-].[Mg+2]	[OH-].[OH-].[Mg+2]
14888	14888	[O-2].[O-2].[O-2].[As+3].[As+3]	[O-2].[O-2].[O-2].[As+3].[As+3]
14969	14969	CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C(C(=O)NC(C(=O)NC5C(=O)NC7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9C(NC(=O)C(C(C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)O)O)CC(=O)N)NC(=O)C(CC(C)C)NC)O)Cl)CO)O)O)(C)N)O	CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C(C(=O)NC(C(=O)NC5C(=O)NC7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9C(NC(=O)C(C(C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)O)O)CC(=O)N)NC(=O)C(CC(C)C)NC)O)Cl)CO)O)O)(C)N)O
15209	15209	CC1(OC2CC3C4CC(C5=CC(=O)CCC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C)F)C	CC1(OC2CC3C4CC(C5=CC(=O)CCC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C)F)C
15541	15541	CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O	CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O
16078	16078	CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1)O	CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1)O
16230	16231	C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N.Cl	C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N
16362	16362	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F	C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
16850	16850	C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O	C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
18283	18283	CC1=CN(C(=O)NC1=O)C2C=CC(O2)CO	CC1=CN(C(=O)NC1=O)C2C=CC(O2)CO
18381	18381	CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O	CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O
19090	19090	CC1=CC2C(CCC3(C2CCC3(C(=O)C)O)C)C4(C1=CC(=O)CC4)C	CC1=CC2C(CCC3(C2CCC3(C(=O)C)O)C)C4(C1=CC(=O)CC4)C
19493	19493	C1C(C1N)C2=CC=CC=C2	C1C(C1N)C2=CC=CC=C2
19648	19649	CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(C=O)O.CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(C=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O	CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(C=O)O
20279	20279	C1C(C(OC1N2C=NC3=C2N=C(N=C3N)Cl)CO)O	C1C(C(OC1N2C=NC3=C2N=C(N=C3N)Cl)CO)O
20469	20469	CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)Cl)C	CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)Cl)C
20585	20585	CN1C2=C(C(=O)N(C1=O)C)NC=N2.C[N+](C)(C)CCO	CN1C2=C(C(=O)N(C1=O)C)NC=N2.C[N+](C)(C)CCO
20824	20824	CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O)C(=O)O)C	CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O)C(=O)O)C
23897	23897	CCC1=C(NC2=C1C(=O)C(CC2)CN3CCOCC3)C	CCC1=C(NC2=C1C(=O)C(CC2)CN3CCOCC3)C
23954	23954	[Ag]	[Ag]
23987	23987	[He]	[He]
24066	24066	C1CC(OC1CO)N2C=CC(=NC2=O)N	C1CC(OC1CO)N2C=CC(=NC2=O)N
24393	24393	[O-]S(=O)(=O)[O-].[Fe+2]	[O-]S(=O)(=O)[O-].[Fe+2]
24750	24750	CCCCCCCCCCCCOCCO	CCCCCCCCCCCCOCCO
24843	24843	O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Mg+2]	O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Mg+2]
25419	25419	C(P(=O)(O)O)(P(=O)(O)O)(Cl)Cl	C(P(=O)(O)O)(P(=O)(O)O)(Cl)Cl
25959	25959	[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2]	[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2]
26133	26133	CCCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)C(=O)CO	CCCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)C(=O)CO
26757	26757	CC(CC1=CC=CC=C1)N(C)CC#C	CC(CC1=CC=CC=C1)N(C)CC#C
26924	26924	O[Si](=O)[O-].O[Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[Mg+2].[Mg+2].[Mg+2]	O[Si](=O)[O-].O[Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[Mg+2].[Mg+2].[Mg+2]
26987	26987	CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCC3CCCN3C	CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCC3CCCN3C
27350	441289	CC(=O)OC1CC2CCC3C(C2(CC1[N+]4(CCCCC4)C)C)CCC5(C3CC(C5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-].[Br-]	CC(=O)OC1CC2CCC3C(C2(CC1[N+]4(CCCCC4)C)C)CCC5(C3CC(C5OC(=O)C)[N+]6(CCCCC6)C)C
27400	27400	CN1CCC(=C2C3=C(CCC4=CC=CC=C42)SC=C3)CC1	CN1CCC(=C2C3=C(CCC4=CC=CC=C42)SC=C3)CC1
27447	27447	CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O	CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O
27661	27661	C1C(C2C(O1)C(CO2)O[N+](=O)[O-])O	C1C(C2C(O1)C(CO2)O[N+](=O)[O-])O
27991	27991	C1CC(N(C1)C(=O)C2CSSCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N	C1CC(N(C1)C(=O)C2CSSCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N
28417	28417	CC12CCC3C(C1CCC2(C#C)O)CCC4=CC5=C(CC34C)C=NO5	CC12CCC3C(C1CCC2(C#C)O)CCC4=CC5=C(CC34C)C=NO5
28486	28486	[Li+]	[Li+]
29029	29029	CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl	CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl
29327	29327	CN(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O	CN(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O
30323	30323	CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)N)O	CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)N)O
31100	31101	CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O	CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O
31307	31307	CC12CC(C3(C(C1CC(C2(C(=O)CO)O)O)CCC4=CC(=O)C=CC43C)F)O	CC12CC(C3(C(C1CC(C2(C(=O)CO)O)O)CCC4=CC(=O)C=CC43C)F)O
31378	31378	CC12CCC(=O)C=C1CCC3C2(C(CC4(C3CCC4(C(=O)CO)O)C)O)F	CC12CCC(=O)C=C1CCC3C2(C(CC4(C3CCC4(C(=O)CO)O)C)O)F
31401	31401	CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C	CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
31477	31477	CC1=CC(=C(C(=C1OC(=O)C)C)C)OCC(CNC(C)C)O	CC1=CC(=C(C(=C1OC(=O)C)C)C)OCC(CNC(C)C)O
31703	31703	CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O	CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O
32169	32170	CCCNC(C)C(=O)NC1=C(SC=C1C)C(=O)OC.Cl	CCCNC(C)C(=O)NC1=C(SC=C1C)C(=O)OC
33036	33036	CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2	CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2
33255	33255	CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)O	CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)O
33613	33613	CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C	CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C
33624	33624	CC(C)(C)NCC(COC1=NSN=C1N2CCOCC2)O	CC(C)(C)NCC(COC1=NSN=C1N2CCOCC2)O
33741	33741	CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O	CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O
34312	34312	C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N	C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N
34632	34632	CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CCN4CCOCC4.Cl	CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CCN4CCOCC4.Cl
35370	35370	CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-]	CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-]
36294	36294	C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(CC(C(O3)CN)O)N)N	C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(CC(C(O3)CN)O)N)N
36339	36339	CCOC(=O)C1=CN=CN1C(C)C2=CC=CC=C2	CCOC(=O)C1=CN=CN1C(C)C2=CC=CC=C2
36462	36462	CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O	CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O
36811	36811	CC(CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)O	CC(CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)O
37392	37393	CCCCN(CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O.Cl	CCCCN(CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O
37464	37464	CC(C)(C)NCC(COC1=CC=CC=C1C2CCCC2)O	CC(C)(C)NCC(COC1=CC=CC=C1C2CCCC2)O
37542	37542	C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N	C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N
37768	37768	C1C(C(C(C(C1NC(=O)C(CCN)O)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(C(C(C(O3)CN)O)O)O)N	C1C(C(C(C(C1NC(=O)C(CCN)O)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(C(C(C(O3)CN)O)O)O)N
38852	38853	CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N.CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N.O.O.O	CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N
38904	2568	C1CC(C1)(C(=O)O)C(=O)O.N.N.[Pt]	C1CC(C1)(C(=O)O)C(=O)O
39042	39042	CC(C)(C(=O)O)OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl	CC(C)(C(=O)O)OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl
39147	39147	CC(C)(C)NCC(COC1=CC=CC2=C1CC(C(C2)O)O)O	CC(C)(C)NCC(COC1=CC=CC2=C1CC(C(C2)O)O)O
39186	39186	CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC	CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC
39468	39468	CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O	CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O
39764	39765	CC(=O)OC1CC2CCC3C(C2(CC1N4CCCCC4)C)CCC5(C3CC(C5OC(=O)C)[N+]6(CCCCC6)C)C.[Br-]	CC(=O)OC1CC2CCC3C(C2(CC1N4CCCCC4)C)CCC5(C3CC(C5OC(=O)C)[N+]6(CCCCC6)C)C
40463	40463	CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C	CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C
40692	40692	C1CCNC(C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O	C1CCNC(C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O
40703	40704	CC1(C2CCC(C1C2)CCOCC[N+]3(CCOCC3)CC4=CC(=C(C=C4Br)OC)OC)C.[Br-]	CC1(C2CCC(C1C2)CCOCC[N+]3(CCOCC3)CC4=CC(=C(C=C4Br)OC)OC)C
41684	41684	CC(=O)OC1=CC=CC=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-]	CC(=O)OC1=CC=CC=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-]
41693	41693	CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CS3)COC	CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CS3)COC
41744	41744	CCCCC(=O)OCC(=O)C1(CC(C2=C(C3=C(C(=C2C1)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)O)OC5CC(C(C(O5)C)O)NC(=O)C(F)(F)F)O	CCCCC(=O)OCC(=O)C1(CC(C2=C(C3=C(C(=C2C1)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)O)OC5CC(C(C(O5)C)O)NC(=O)C(F)(F)F)O
41774	41774	CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)NC4C=C(C(C(C4O)O)O)CO	CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)NC4C=C(C(C(C4O)O)O)CO
41781	41781	CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C	CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC(C)C
41867	41867	CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O	CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O
42113	42113	C(C(F)(F)F)(OC(F)F)F	C(C(F)(F)F)(OC(F)F)F
42890	42890	CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O	CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O
43232	43232	CC(C)[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C	CC(C)[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C
43672	43672	CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O	CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O
43805	43805	C1CCC(C(C1)[NH-])[NH-].C(=O)(C(=O)[O-])[O-].[Pt+4]	C1CCC(C(C1)[NH-])[NH-].C(=O)(C(=O)[O-])[O-].[Pt+4]
43815	43815	C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4	C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4
44093	44093	CC(CS)C(=O)N1CCCC1C(=O)O	CC(CS)C(=O)N1CCCC1C(=O)O
44187	44187	CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O	CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O
44257	44257	CC(C(C1CNC2=C(N1)C(=O)N=C(N2)N)O)O	CC(C(C1CNC2=C(N1)C(=O)N=C(N2)N)O)O
44564	44564	C1=C(C=C(C(=C1NC(=O)C(=O)O)Cl)NC(=O)C(=O)O)C#N	C1=C(C=C(C(=C1NC(=O)C(=O)O)Cl)NC(=O)C(=O)O)C#N
47319	47319	C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C	C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C
47320	47319	C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-]	C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C
47471	47472	C1=CC(=C(C(=C1)Cl)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)Cl.[N+](=O)(O)[O-]	C1=CC(=C(C(=C1)Cl)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)Cl
47641	47641	CN(CC=CC1=CC=CC=C1)CC2=CC=CC3=CC=CC=C32	CN(CC=CC1=CC=CC=C1)CC2=CC=CC3=CC=CC=C32
47725	47725	CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NNC(=O)N)NC(=O)C(COC(C)(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6	CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NNC(=O)N)NC(=O)C(COC(C)(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6
47811	47811	CCCN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CSC	CCCN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CSC
47964	47965	CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O.O	CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O
50224	50225	CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(COC(C)(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6.CC(=O)O	CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(COC(C)(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6
50294	50294	CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)O)C(=O)C=C(N2CC)C(=O)O	CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)O)C(=O)C=C(N2CC)C(=O)O
50599	50599	C1CC(OC1CO)N2C=NC3=C2NC=NC3=O	C1CC(OC1CO)N2C=NC3=C2NC=NC3=O
51038	51039	C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)Cl.O	C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)Cl
51263	51263	CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C(=O)N(N=N3)CC)COC	CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C(=O)N(N=N3)CC)COC
51634	51634	CCCCN1CC(C(C(C1CO)O)O)O	CCCCN1CC(C(C(C1CO)O)O)O
53024	53025	CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)C4SC(=C(C(=O)N)C(=O)[O-])S4)OC)SC2)C(=O)[O-].[Na+].[Na+]	CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)C4SC(=C(C(=O)N)C(=O)O)S4)OC)SC2)C(=O)O
53232	53232	CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C	CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C
54384	54384	CC1CN(CCC1(C2=CC=CC=C2)C(=O)O)C3CCC(CC3)(C#N)C4=CC=C(C=C4)F.Cl	CC1CN(CCC1(C2=CC=CC=C2)C(=O)O)C3CCC(CC3)(C#N)C4=CC=C(C=C4)F.Cl
54454	54454	CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C	CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C
54687	54687	CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)O	CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)O
54746	54746	CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)CC=C	CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)CC=C
54840	54841	CC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2.Cl	CC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2
54889	91270	CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC(=C(C=C3CC2C(=O)O)OC)OC.Cl	CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC(=C(C=C3CC2C(=O)O)OC)OC
54891	54892	CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O.Cl	CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O
55245	55245	CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O	CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O
55480	65833	CCN(CC)C(=O)C1(CC1C[NH3+])C2=CC=CC=C2.[Cl-]	CCN(CC)C(=O)C1(CC1CN)C2=CC=CC=C2
55891	55891	CCC(=O)OC(C(C)C)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2CC(CC2C(=O)O)C3CCCCC3	CCC(=O)OC(C(C)C)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2CC(CC2C(=O)O)C3CCCCC3
56329	56330	CCOC(=O)C(CCC1=CC=CC=C1)NC2CCCN3CCCC(N3C2=O)C(=O)O.O	CCOC(=O)C(CCC1=CC=CC=C1)NC2CCCN3CCCC(N3C2=O)C(=O)O
56338	56339	C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)COP(=O)([O-])[O-])C3=CC=CC=C3.[Na+].[Na+]	C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)COP(=O)(O)O)C3=CC=CC=C3
56959	56959	CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O	CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O
57363	57363	CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(C=CC(=O)N4)C	CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(C=CC(=O)N4)C
57469	57469	CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2N	CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2N
59226	59227	CCC[NH+](CCC1=CC=CS1)C2CCC3=C(C2)C=CC=C3O.[Cl-]	CCCN(CCC1=CC=CS1)C2CCC3=C(C2)C=CC=C3O
59768	59768	CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)O	CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)O
60164	60164	COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5	COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5
60198	60198	CC12CCC3C(C1CCC2=O)CC(=C)C4=CC(=O)C=CC34C	CC12CCC3C(C1CCC2=O)CC(=C)C4=CC(=O)C=CC34C
60464	60464	CC1CN(CC(N1)C)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)F	CC1CN(CC(N1)C)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)F
60606	60606	COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3	COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3
60613	60613	C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O	C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O
60648	60648	CC1=C(SC=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=C(C=CS3)C	CC1=C(SC=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=C(C=CS3)C
60656	60657	CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O.Cl	CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O
60695	60696	CC(=O)OC1C(CC2C1(CCC3C2CCC4C3(CC(C(C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C.[Br-]	CC(=O)OC1C(CC2C1(CCC3C2CCC4C3(CC(C(C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C
60699	60700	CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=C(C5=C4)CN(C)C)O)O.Cl	CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=C(C5=C4)CN(C)C)O)O
60714	60715	CC(CN1CCN(CCN(CCN(CC1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])O.[Gd+3]	CC(CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)O
60726	60726	C1=CC(=C(C(=C1)CC(=O)O)N)C(=O)C2=CC=C(C=C2)Br	C1=CC(=C(C(=C1)CC(=O)O)N)C(=O)C2=CC=C(C=C2)Br
60749	60750	C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F.Cl	C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F
60753	60753	CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O	CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O
60772	60773	CC(C)C(C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)N.Cl	CC(C)C(C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)N
60774	60774	CC1=CC(=C(C=C1)O)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2	CC1=CC(=C(C=C1)O)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2
60779	60780	CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC.C(C(C(=O)O)O)(C(=O)O)O.C(C(C(=O)O)O)(C(=O)O)O	CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC
60795	60795	C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl	C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl
60814	60815	CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC(=O)OC)C(=O)OC.Cl	CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC(=O)OC)C(=O)OC
60822	60823	CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Ca+2]	CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4
60825	60825	C1C(OC(S1)CO)N2C=CC(=NC2=O)N	C1C(OC(S1)CO)N2C=CC(=NC2=O)N
60830	60831	C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C.[Br-]	C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C
60834	60835	CNCCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32.Cl	CNCCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32
60837	60838	CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7.O.O.O.Cl	CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7
60843	60843	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)NC(CCC(=O)O)C(=O)O	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)NC(CCC(=O)O)C(=O)O
60846	60846	CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)O	CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)O
60852	60852	CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O	CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
60853	60854	C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54.O.Cl	C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54
60855	60855	CC(=O)NC1C(C=C(OC1C(C(CO)O)O)C(=O)O)N=C(N)N	CC(=O)NC1C(C=C(OC1C(C(CO)O)O)C(=O)O)N=C(N)N
60857	60857	CN(C)CCC1=CNC2=C1C=C(C=C2)CC3COC(=O)N3	CN(C)CCC1=CNC2=C1C=C(C=C2)CC3COC(=O)N3
60871	60871	CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C1N=CN=C2N)OCOC(=O)C(C)(C)C	CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C1N=CN=C2N)OCOC(=O)C(C)(C)C
60877	60877	C1C(OC(S1)CO)N2C=C(C(=NC2=O)N)F	C1C(OC(S1)CO)N2C=C(C(=NC2=O)N)F
60934	441243	CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(C(CC3=CC=CC=C3)NC(=O)C(CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O.CS(=O)(=O)O	CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(C(CC3=CC=CC=C3)NC(=O)C(CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O
60936	60937	C1=CC(=CC=C1SC(P(=O)(O)[O-])P(=O)(O)[O-])Cl.[Na+].[Na+]	C1=CC(=CC=C1SC(P(=O)(O)O)P(=O)(O)O)Cl
60946	60947	CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O.O.Cl	CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O
60953	60953	CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C(C(C(O2)C)O)O	CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C(C(C(O2)C)O)O
60961	60961	C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O	C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O
62816	8197	C1C(O1)CCl.C(CNCCNCCNCCN)N	C(CNCCNCCNCCN)N
62819	62819	CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)C(C)O	CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)C(C)O
62867	62867	CN(C)S(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)CCO	CN(C)S(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)CCO
62886	62887	C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-]	C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C
62959	62959	C1C2C(C2N)CN1C3=C(C=C4C(=O)C(=CN(C4=N3)C5=C(C=C(C=C5)F)F)C(=O)O)F	C1C2C(C2N)CN1C3=C(C=C4C(=O)C(=CN(C4=N3)C5=C(C=C(C=C5)F)F)C(=O)O)F
63009	68617	CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl	CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl
64139	64139	C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F	C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F
64142	64143	CC1=C(C=CC=C1O)C(=O)NC(CSC2=CC=CC=C2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O.CS(=O)(=O)O	CC1=C(C=CC=C1O)C(=O)NC(CSC2=CC=CC=C2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O
64147	64147	CC(C)C(C(=O)OCC(CO)OCN1C=NC2=C1NC(=NC2=O)N)N	CC(C)C(C(=O)OCC(CO)OCN1C=NC2=C1NC(=NC2=O)N)N
64710	3000540	CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)O.Cl	CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)O
65014	65015	C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl	C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3
65016	65016	CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2CCOC2)O)S(=O)(=O)C3=CC=C(C=C3)N	CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2CCOC2)O)S(=O)(=O)C3=CC=C(C=C3)N
65027	65027	CCCC1(CC(=O)C(=C(O1)O)C(CC)C2=CC(=CC=C2)NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)CCC4=CC=CC=C4	CCCC1(CC(=O)C(=C(O1)O)C(CC)C2=CC(=CC=C2)NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)CCC4=CC=CC=C4
65028	65028	CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC	CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC
65492	65492	CC(C(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)O	CC(C(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)O
65628	65628	CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCC(=O)O	CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCC(=O)O
65863	65863	C1=CC2=C(C(=C1)Cl)SC=C2COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl	C1=CC2=C(C(=C1)Cl)SC=C2COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl
65981	65981	CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O	CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O
65999	65999	CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC6=CC=CC=C6N5C)C	CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC6=CC=CC=C6N5C)C
66376	66376	[Xe]	[Xe]
68740	68740	C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O	C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O
68844	68844	CCNC1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC	CCNC1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC
71158	71158	CC(=O)NCCCS(=O)(=O)O	CC(=O)NCCCS(=O)(=O)O
71301	71301	C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O	C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O
71329	71329	CN(CCC1=CC=C(C=C1)NS(=O)(=O)C)CCOC2=CC=C(C=C2)NS(=O)(=O)C	CN(CCC1=CC=C(C=C1)NS(=O)(=O)C)CCOC2=CC=C(C=C2)NS(=O)(=O)C
71348	71349	CC(C)C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)N)C(=O)NC(C(C)O)C(=O)N.CC(=O)O	CC(C)C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)N)C(=O)NC(C(C)O)C(=O)N
71362	71364	CC(=O)O.C1CCC2C(C1)CC(N2C(=O)C3CC4=CC=CC=C4CN3C(=O)C(CO)NC(=O)C(CC5=CC=CS5)NC(=O)CNC(=O)C6CC(CN6C(=O)C7CCCN7C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)O)C(=O)NC(CCCN=C(N)N)C(=O)O	C1CCC2C(C1)CC(N2C(=O)C3CC4=CC=CC=C4CN3C(=O)C(CO)NC(=O)C(CC5=CC=CS5)NC(=O)CNC(=O)C6CC(CN6C(=O)C7CCCN7C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)O)C(=O)NC(CCCN=C(N)N)C(=O)O
71368	71368	[Na+].[I-]	[Na+].[I-]
71384	71384	CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2	CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2
71387	71387	CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(=O)CC2(C1(C(=O)CCl)O)C)F)C	CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(=O)CC2(C1(C(=O)CCl)O)C)F)C
71415	71415	CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C)F	CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C)F
71616	71616	CC(C1=NC=NC=C1F)C(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O	CC(C1=NC=NC=C1F)C(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O
71771	71771	C1=CC=C(C(=C1)CC(=O)OCC(=O)O)NC2=C(C=CC=C2Cl)Cl	C1=CC=C(C(=C1)CC(=O)OCC(=O)O)NC2=C(C=CC=C2Cl)Cl
72466	72467	CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O.OS(=O)(=O)[O-]	CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O
73303	73303	CC1C2C(C(=O)N2C(=C1SC3CC(NC3)CNS(=O)(=O)N)C(=O)O)C(C)O	CC1C2C(C(=O)N2C(=C1SC3CC(NC3)CNS(=O)(=O)N)C(=O)O)C(C)O
73491	446987	CC1C(O1)P(=O)([O-])[O-].[Na+].[Na+]	CC1C(O1)P(=O)(O)O
74989	74989	C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O	C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O
77990	77990	CCN(C)C(=O)OC1=CC=CC(=C1)C(C)N(C)C.C(C(C(=O)O)O)(C(=O)O)O	CCN(C)C(=O)OC1=CC=CC(=C1)C(C)N(C)C.C(C(C(=O)O)O)(C(=O)O)O
77992	77992	CNC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N	CNC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N
77993	77993	CN1CCCC1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4	CN1CCCC1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4
77999	77999	CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3	CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3
82146	82146	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C	CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C
82153	82153	CC1(OC2CC3C4CC(C5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C)F)C	CC1(OC2CC3C4CC(C5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C)F)C
83898	83898	CC1OC2(CN3CCC2CC3)CS1	CC1OC2(CN3CCC2CC3)CS1
84029	84029	CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)O)(C)O	CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)O)(C)O
89594	89594	CN1CCCC1C2=CN=CC=C2	CN1CCCC1C2=CN=CC=C2
92253	92253	CCCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C	CCCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C
92721	92722	CC1CCN(C(C1)C(=O)O)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C.O	CC1CCN(C(C1)C(=O)O)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C
93184	93184	CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)OC4=CC5=C(CCC5)C=C4)C(=O)O)C	CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)OC4=CC5=C(CCC5)C=C4)C(=O)O)C
93860	93860	B(C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O	B(C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O
101526	152946	COC1=C2C(=CC(=C1N3CC4CCCNC4C3)F)C(=O)C(=CN2C5CC5)C(=O)O.Cl	COC1=C2C(=CC(=C1N3CC4CCCNC4C3)F)C(=O)C(=CN2C5CC5)C(=O)O
104741	104741	CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F	CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F
104758	104758	CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(C)C3=CC=C(S3)C(=O)NC(CCC(=O)O)C(=O)O	CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(C)C3=CC=C(S3)C(=O)NC(CCC(=O)O)C(=O)O
104865	104865	CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC	CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC
105124	105125	[H+].[H+].C1=CC=C(C=C1)COCC(C(=O)[O-])N(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]	C1=CC=C(C=C1)COCC(C(=O)O)N(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O
107732	60683	[H+].[H+].[H+].[H+].CC1=NC=C(C(=C1[O-])CN(CCN(CC2=C(C(=NC=C2COP(=O)([O-])[O-])C)[O-])CC(=O)[O-])CC(=O)[O-])COP(=O)([O-])[O-].[Mn+2]	CC1=NC=C(C(=C1O)CN(CCN(CC2=C(C(=NC=C2COP(=O)(O)O)C)O)CC(=O)O)CC(=O)O)COP(=O)(O)O
107807	107807	CCCC(C(=O)OCC)NC(C)C(=O)N1C2CCCCC2CC1C(=O)O	CCCC(C(=O)OCC)NC(C)C(=O)N1C2CCCCC2CC1C(=O)O
110634	110634	CCCC1=NC(=C2N1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C	CCCC1=NC(=C2N1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C
110635	110635	CN1CC(=O)N2C(C1=O)CC3=C(C2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36	CN1CC(=O)N2C(C1=O)CC3=C(C2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36
115237	115237	CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F	CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F
115355	115355	C1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]	C1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
119182	119182	C1=NC2=C(N1C3C(C(C(O3)CO)O)F)N=C(N=C2N)Cl	C1=NC2=C(N1C3C(C(C(O3)CO)O)F)N=C(N=C2N)Cl
119569	119570	CCCNC1CCC2=C(C1)SC(=N2)N.Cl.Cl	CCCNC1CCC2=C(C1)SC(=N2)N
119607	119607	CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N	CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N
121396	121396	C(CC(=O)O)C(C(=O)O)NC(=O)N	C(CC(=O)O)C(C(=O)O)NC(=O)N
123600	123600	CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O	CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O
123606	123606	CN(C)CCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)N3CCCC3	CN(C)CCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)N3CCCC3
123631	123631	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4	COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4
124087	124087	C1CC2=C(C=CC(=C2)Cl)C(=C3CCNCC3)C4=C1C=CC=N4	C1CC2=C(C=CC(=C2)Cl)C(=C3CCNCC3)C4=C1C=CC=N4
125017	125017	CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O	CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O
126941	126941	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
129211	129211	CCOC1=CC=CC=C1OCCNC(C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N	CCOC1=CC=CC=C1OCCNC(C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N
129228	129228	C1=CC(=C(C(=C1)F)CN2C=C(N=N2)C(=O)N)F	C1=CC(=C(C(=C1)F)CN2C=C(N=N2)C(=O)N)F
130881	130881	CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC5=C(OC(=O)O5)C)C(C)(C)O	CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC5=C(OC(=O)O5)C)C(C)(C)O
131204	131204	CC(C)(CO)C(C(=O)NCCCO)O	CC(C)(CO)C(C(=O)NCCCO)O
131535	131536	CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2CCOC2)OP(=O)([O-])[O-])S(=O)(=O)C3=CC=C(C=C3)N.[Ca+2]	CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2CCOC2)OP(=O)(O)O)S(=O)(=O)C3=CC=C(C=C3)N
134018	134018	CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O	CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O
135113	135113	CC1OC2=C(O1)C=C(C=C2)C(C)(C)C	CC1OC2=C(O1)C=C(C=C2)C(C)(C)C
145068	145068	[N]=O	[N]=O
146570	146570	CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F	CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F
148121	148121	C#CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	C#CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
148123	148124	CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O.O.O.O	CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O
148192	148192	CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)OC	CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)OC
149096	149096	CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O	CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O
149436	149436	C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O	C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
150311	150311	C1=CC(=CC=C1C2C(C(=O)N2C3=CC=C(C=C3)F)CCC(C4=CC=C(C=C4)F)O)O	C1=CC(=CC=C1C2C(C(=O)N2C3=CC=C(C=C3)F)CCC(C4=CC=C(C=C4)F)O)O
150610	150610	CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O)C(C)O	CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O)C(C)O
151068	151068	CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(CCN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(CCN)O)O)NCCN)O	CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(CCN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(CCN)O)O)NCCN)O
151075	151075	C1=CC=C(C=C1)C(=O)C2=C(C(=CC=C2)CC(=O)N)N	C1=CC=C(C=C1)C(=O)C2=C(C(=CC=C2)CC(=O)N)N
151165	151165	CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NC(=O)NN3)C4=CC=C(C=C4)F	CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NC(=O)NN3)C4=CC=C(C=C4)F
151171	151171	CC1=NC2=C(N1)CCN(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6	CC1=NC2=C(N1)CCN(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6
153311	153311	CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4	CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4
153921	60755	CNC(=O)CN(CCN(CCN(CC(=O)NC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]	CNC(=O)CN(CCN(CCN(CC(=O)NC)CC(=O)O)CC(=O)O)CC(=O)O
153941	153941	C=C1C(CC(C1CO)O)N2C=NC3=C2NC(=NC3=O)N	C=C1C(CC(C1CO)O)N2C=NC3=C2NC(=NC3=O)N
154058	154058	C1CN2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=CC=C5.Cl	C1CN2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=CC=C5.Cl
154100	154101	COC(=O)C(C1CCCCN1)C2=CC=CC=C2.Cl	COC(=O)C(C1CCCCN1)C2=CC=CC=C2
154417	154417	CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3	CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3
156391	156391	CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O	CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O
156418	156419	CC(C1=CC=CC2=CC=CC=C21)NCCCC3=CC(=CC=C3)C(F)(F)F.Cl	CC(C1=CC=CC2=CC=CC=C21)NCCCC3=CC(=CC=C3)C(F)(F)F
157920	157920	CCCCC(C1(CCC2C(O1)CC(=O)C2CCCCCCC(=O)O)O)(F)F	CCCCC(C1(CCC2C(O1)CC(=O)C2CCCCCCC(=O)O)O)(F)F
157921	157922	COC(=O)CCC(=O)CN.Cl	COC(=O)CCC(=O)CN
158786	158786	COCCOC(=O)NCCCCC(C(=O)NCCCCCOP(=O)(C)O)NC(=O)OCCOC	COCCOC(=O)NCCCCC(C(=O)NCCCCCOP(=O)(C)O)NC(=O)OCCOC
159269	159269	CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O	CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O
160051	160051	CCCCCCCCCCNCC=C.C[N+](C)(C)CCCCCCNCC=C.C=CCN.C1C(O1)CCl.Cl.[Cl-]	CCCCCCCCCCNCC=C.C[N+](C)(C)CCCCCCNCC=C.C=CCN.C1C(O1)CCl.Cl.[Cl-]
163091	163091	CN1CC2C(C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24	CN1CC2C(C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24
163742	163742	COC1C(C(C(C(O1)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)COS(=O)(=O)O)OC4C(C(C(C(O4)C(=O)O)OC5C(C(C(C(O5)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O)NS(=O)(=O)O	COC1C(C(C(C(O1)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)COS(=O)(=O)O)OC4C(C(C(C(O4)C(=O)O)OC5C(C(C(C(O5)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O)NS(=O)(=O)O
165579	165580	C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N.[O-]S(=O)(=O)[O-]	C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N
166548	166548	CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)NC4CC(C(NC(=O)C5C(C(CN5C(=O)C(NC(=O)C(NC(=O)C6CC(CN6C(=O)C(NC4=O)C(C)O)O)C(C(C7=CC=C(C=C7)O)O)O)C(C)O)C)O)O)O	CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)NC4CC(C(NC(=O)C5C(C(CN5C(=O)C(NC(=O)C(NC(=O)C6CC(CN6C(=O)C(NC4=O)C(C)O)O)C(C(C7=CC=C(C=C7)O)O)O)C(C)O)C)O)O)O
168708	168708	CC12CCC3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)O)C1CCC2=O	CC12CCC3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)O)C1CCC2=O
168924	767	C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].[La+3].[La+3]	C(=O)(O)O
170361	170361	C1C2CNCC1C3=CC4=NC=CN=C4C=C23	C1C2CNCC1C3=CC4=NC=CN=C4C=C23
174174	174174	CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3	CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3
175804	175805	CCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C.Cl	CCCN1CCCCC1C(=O)NC2=C(C=CC=C2C)C
176870	176870	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC
193962	193962	CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)N)NC3=CC=C(C=C3)C#N)C)C#N	CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)N)NC3=CC=C(C=C3)C#N)C)C#N
208902	208902	CCC(=O)NCCC1CCC2=C1C3=C(C=C2)OCC3	CCC(=O)NCCC1CCC2=C1C3=C(C=C2)OCC3
208908	208908	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl
213039	213039	CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N	CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N
216235	216235	CC1=CC2=C(C=C1CC(=O)C3=C(C=CS3)S(=O)(=O)NC4=C(C(=NO4)C)Cl)OCO2	CC1=CC2=C(C=C1CC(=O)C3=C(C=CS3)S(=O)(=O)NC4=C(C(=NO4)C)Cl)OCO2
216237	216237	CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)O)C	CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)O)C
216239	216239	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F	CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F
216326	216326	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N
219024	219024	CNC(=O)C1=CN(N=C1)C2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O	CNC(=O)C1=CN(N=C1)C2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O
219078	219078	CC(=O)NC(COC)C(=O)NCC1=CC=CC=C1	CC(=O)NC(COC)C(=O)NCC1=CC=CC=C1
222786	222786	CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C	CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C
241902	241903	CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O	CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O
247839	247839	CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)CC4)C)O)C)C(=O)C	CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)CC4)C)O)C)C(=O)C
259331	259331	CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl	CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl
383413	383414	CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)N)C(=O)NC(CO)C(C)O)O.CC(=O)O	CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)N)C(=O)NC(CO)C(C)O)O
392622	392622	CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O	CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O
410087	6917	C=CN1CCCC1=O.II	C=CN1CCCC1=O
439260	439260	C1=CC(=C(C=C1C(CN)O)O)O	C1=CC(=C(C=C1C(CN)O)O)O
439302	439302	CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N	CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N
439693	439693	C1C(C(OC1N2C=NC3=C2NC=NCC3O)CO)O	C1C(C(OC1N2C=NC3=C2NC=NCC3O)CO)O
441074	441074	COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O	COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O
441129	441130	CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)N(C)C)C(=O)O)C(C)O.O.O.O	CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)N(C)C)C(=O)O)C(C)O
441140	441140	CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC	CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC
441199	441199	COC1(C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)CC3=CC=CS3	COC1(C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)CC3=CC=CS3
441276	441276	CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C	CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
441277	441278	CC1C2CC3=C(C1(CCN2CC=C(C)C)C)C=C(C=C3)O.Cl	CC1C2CC3=C(C1(CCN2CC=C(C)C)C)C=C(C=C3)O
441290	441290	CC(=O)OC1C(CC2C1(CCC3C2CCC4C3(CC(C(C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C	CC(=O)OC1C(CC2C1(CCC3C2CCC4C3(CC(C(C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C
441300	441300	C1CC1NC2=NC(=NC3=C2N=CN3C4CC(C=C4)CO)N	C1CC1NC2=NC(=NC3=C2N=CN3C4CC(C=C4)CO)N
441314	441314	C1C(C(C(C(N1CCO)CO)O)O)O	C1C(C(C(C(N1CCO)CO)O)O)O
441335	441335	CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CCl)O)C)O)Cl)C	CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CCl)O)C)O)Cl)C
441350	441350	CC(CC1=CC=C(C=C1)O)(C(=O)O)N	CC(CC1=CC=C(C=C1)O)(C(=O)O)N
441383	441383	CC(C)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=NC=N4)C5=C(C=C(C=C5)Cl)Cl	CC(C)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=NC=N4)C5=C(C=C(C=C5)Cl)Cl
441401	441401	CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F	CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F
443872	443872	CC12CCC(=O)C=C1CC(C3C24C(O4)CC5(C3CCC56CCC(=O)O6)C)C(=O)OC	CC12CCC(=O)C=C1CC(C3C24C(O4)CC5(C3CCC56CCC(=O)O6)C)C(=O)OC
443878	443879	CC1=CC(=C(C=C1)O)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2.C(C(C(=O)O)O)(C(=O)O)O	CC1=CC(=C(C=C1)O)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2
443936	443936	CCCC(=O)OC1(CCC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C(=O)COC(=O)C	CCCC(=O)OC1(CCC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C(=O)COC(=O)C
443943	443943	CC1(OC2CC3C4CCC5=CC(=O)CCC5(C4(C(CC3(C2(O1)C(=O)CCl)C)O)F)C)C	CC1(OC2CC3C4CCC5=CC(=O)CCC5(C4(C(CC3(C2(O1)C(=O)CCl)C)O)F)C)C
443958	443958	CC(=O)OCC(=O)C12C(CC3C1(CC(C4(C3CCC5=CC(=O)C=CC54C)F)O)C)OC6(O2)CCCC6	CC(=O)OCC(=O)C12C(CC3C1(CC(C4(C3CCC5=CC(=O)C=CC54C)F)O)C)OC6(O2)CCCC6
444013	60806	COCCNC(=O)CN(CCN(CCN(CC(=O)NCCOC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]	COCCNC(=O)CN(CCN(CCN(CC(=O)NCCOC)CC(=O)O)CC(=O)O)CC(=O)O
444030	444031	C1CN(CC1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5.Br	C1CN(CC1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5
444795	444795	CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C	CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
445354	445354	CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C	CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C
445643	445643	CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC	CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC
446155	446155	CC(C)N1C2=CC=CC=C2C(=C1C=CC(CC(CC(=O)O)O)O)C3=CC=C(C=C3)F	CC(C)N1C2=CC=CC=C2C(=C1C=CC(CC(CC(=O)O)O)O)C3=CC=C(C=C3)F
446156	446156	CC(C)C1=C(C(=C(C(=N1)C(C)C)C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)COC	CC(C)C1=C(C(=C(C(=N1)C(C)C)C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)COC
446157	446157	CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C	CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C
446220	446220	CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC	CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC
446541	446541	CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)O)OC	CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)O)OC
446556	446556	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)NC(CCC(=O)O)C(=O)O	C1=CC(=CC=C1CCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)NC(CCC(=O)O)C(=O)O
446596	446596	CC(C1C(O1)CC2COC(C(C2O)O)CC(=CC(=O)OCCCCCCCCC(=O)O)C)C(C)O	CC(C1C(O1)CC2COC(C(C2O)O)CC(=CC(=O)OCCCCCCCCC(=O)O)C)C(C)O
447043	447043	CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O	CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O
448812	448812	C1CC2C(=O)NC(CSSCCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N2C1)CC3=CNC4=CC=CC=C43)CC(=O)O)CCCCN=C(N)N)C(=O)N	C1CC2C(=O)NC(CSSCCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N2C1)CC3=CNC4=CC=CC=C43)CC(=O)O)CCCCN=C(N)N)C(=O)N
449171	449171	CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C	CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
449193	449193	C1CC1COC2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3Cl)Cl)OC(F)F	C1CC1COC2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3Cl)Cl)OC(F)F
449677	3053	C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]	C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O
450096	450097	CCOC1=CC=C(C=C1)CC(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.[Gd+3]	CCOC1=CC=C(C=C1)CC(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
451668	451668	C1C(C(OC1N2C=NC(=NC2=O)N)CO)O	C1C(C(OC1N2C=NC(=NC2=O)N)CO)O
456201	456201	CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl	CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
460612	460612	C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl	C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl
466146	466146	C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O	C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O
468595	468595	CCC(C(C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5CC(OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F	CCC(C(C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5CC(OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F
636380	5282448	COC1C(C(C(C(O1)COS(=O)(=O)[O-])OC2C(C(C(C(O2)C(=O)[O-])OC3C(C(C(C(O3)COS(=O)(=O)[O-])OC4C(C(C(C(O4)C(=O)[O-])OC5C(C(C(C(O5)COS(=O)(=O)[O-])O)O)NS(=O)(=O)[O-])O)O)OS(=O)(=O)[O-])NS(=O)(=O)[O-])O)OS(=O)(=O)[O-])O)NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]	COC1C(C(C(C(O1)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)COS(=O)(=O)O)OC4C(C(C(C(O4)C(=O)O)OC5C(C(C(C(O5)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O)NS(=O)(=O)O
644073	644073	CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O	CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O
644241	644241	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)N3C=C(N=C3)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CC=C5	CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)N3C=C(N=C3)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CC=C5
657180	657180	CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6.CC(=O)O	CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6.CC(=O)O
657237	657237	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2N)F	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2N)F
657298	657298	CCCC1=CC(=O)NC(=S)N1	CCCC1=CC(=O)NC(=S)N1
667477	667477	CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C31	CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C31
667490	667490	C1=NC2=C(N1)C(=S)N=CN2	C1=NC2=C(N1)C(=S)N=CN2
941651	941651	CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C	CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C
969472	969472	CN1CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl	CN1CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl
1349907	1349907	CN1C=CNC1=S	CN1C=CNC1=S
1548886	1548887	CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)[O-]	CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O
1548943	1548943	CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC	CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
1548952	1548953	CC[NH+](CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3	CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3
1548999	1549000	C1C[NH+](CC[NH+]1CCOCC(=O)[O-])C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl	C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
1549007	1549008	CC(C)(C)C#CC=CC[NH+](C)CC1=CC=CC2=CC=CC=C21	CC(C)(C)C#CC=CCN(C)CC1=CC=CC2=CC=CC=C21
2723601	2723601	C1=NC2=C(N1)C(=S)N=C(N2)N	C1=NC2=C(N1)C(=S)N=C(N2)N
2724385	2724385	CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)O)O	CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)O)O
2733525	2733525	CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O	CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
2761171	2761171	CCC1=NC=CC(=C1)C(=S)N	CCC1=NC=CC(=C1)C(=S)N
3001055	3001055	CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C	CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C
3002977	3002977	CC1=NN=C(N1C2CC3CCC(C2)N3CCC(C4=CC=CC=C4)NC(=O)C5CCC(CC5)(F)F)C(C)C	CC1=NN=C(N1C2CC3CCC(C2)N3CCC(C4=CC=CC=C4)NC(=O)C5CCC(CC5)(F)F)C(C)C
3005572	3005572	CN(C)CCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O	CN(C)CCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
3005837	19659	C1=CC(=S)N(C=C1)[O-].C1=CC(=S)N(C=C1)[O-].[Zn+2]	C1=CC(=S)N(C=C1)[O-]
3011155	3011155	COC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)N	COC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)N
3033637	3033637	CNC(=C[N+](=O)[O-])NCCSCC1=CSC(=N1)CN(C)C	CNC(=C[N+](=O)[O-])NCCSCC1=CSC(=N1)CN(C)C
3034010	3034010	CCCCCCCCCCCC(CC1C(C(=O)O1)CCCCCC)OC(=O)C(CC(C)C)NC=O	CCCCCCCCCCCC(CC1C(C(=O)O1)CCCCCC)OC(=O)C(CC(C)C)NC=O
3052775	3052776	CS(=O)(=O)O.C#CCNC1CCC2=CC=CC=C12	C#CCNC1CCC2=CC=CC=C12
3062316	3062316	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=NC(=NC(=C3)N4CCN(CC4)CCO)C	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=NC(=NC(=C3)N4CCN(CC4)CCO)C
3081884	3081884	CC(C(=O)O)N.CC(=O)O.C1=CC(=CC=C1CC(C(=O)O)N)O.C(CCN)CC(C(=O)O)N.C(CC(=O)O)C(C(=O)O)N	CC(C(=O)O)N.CC(=O)O.C1=CC(=CC=C1CC(C(=O)O)N)O.C(CCN)CC(C(=O)O)N.C(CC(=O)O)C(C(=O)O)N
3081921	3081921	CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(=O)NC4CC(C(NC(=O)C5C(C(CN5C(=O)C(NC(=O)C(NC(=O)C6CC(CN6C(=O)C(NC4=O)C(C)O)O)C(C(C7=CC(=C(C=C7)O)OS(=O)(=O)O)O)O)C(CC(=O)N)O)C)O)O)O	CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(=O)NC4CC(C(NC(=O)C5C(C(CN5C(=O)C(NC(=O)C(NC(=O)C6CC(CN6C(=O)C(NC4=O)C(C)O)O)C(C(C7=CC(=C(C=C7)O)OS(=O)(=O)O)O)O)C(CC(=O)N)O)C)O)O)O
3083544	3083544	CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O	CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O
3086257	3086258	CCC1=C2C=C3C(=C(C(=CC4=NC(=CC5=NC(=CC(=C1C)N2)C(=C5CCC(=O)O)C)C(=C4C)CCC(=O)O)N3)C(C)O)C.[Na+]	CCC1=C2C=C3C(=C(C(=CC4=NC(=CC5=NC(=CC(=C1C)N2)C(=C5CCC(=O)O)C)C(=C4C)CCC(=O)O)N3)C(C)O)C
3086400	3086401	CCCN1CC(CC2C1CC3=C(C2)C(=CC=C3)O)NS(=O)(=O)N(CC)CC.Cl	CCCN1CC(CC2C1CC3=C(C2)C(=CC=C3)O)NS(=O)(=O)N(CC)CC
4369359	4369359	C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N	C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N
4517618	4517618	[NH+](=O)[O-].[Na+]	[NH+](=O)[O-].[Na+]
4659569	4659569	CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]	CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]
5280360	5280360	CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O	CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O
5280427	5280427	CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)O2)O)O	CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)O2)O)O
5280452	5280452	CN1C(=C(NC2=CC=CC=N2)O)C(=O)C3=CC=CC=C3S1(=O)=O	CN1C(=C(NC2=CC=CC=N2)O)C(=O)C3=CC=CC=C3S1(=O)=O
5280453	5280453	CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C	CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
5280483	5280483	CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C	CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C
5280723	5280723	CCCCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)O)O)O	CCCCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)O)O)O
5280754	5280754	CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C	CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C
5280793	5280793	CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C	CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
5280962	5280962	CC1(C2CC3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O	CC1(C2CC3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O
5280965	5280965	CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O	CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O
5280972	5280972	CC1(C2C(C3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O)O	CC1(C2C(C3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O)O
5281004	5281004	CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C	CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C
5281006	5281006	CC=CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O	CC=CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O
5281008	5281008	CN(C)C1C2CC3C(C4=C(C=CC(=C4C(=C3C(=O)C2(C(=O)C(=C(N)O)C1=O)O)O)O)Cl)O.Cl	CN(C)C1C2CC3C(C4=C(C=CC(=C4C(=C3C(=O)C2(C(=O)C(=C(N)O)C1=O)O)O)O)Cl)O.Cl
5281011	5281011	CC1C2C(C3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O	CC1C2C(C3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O
5281021	5281021	CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=O)C(=C(N)O)C1=O)O)O)O)N(C)C	CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=O)C(=C(N)O)C1=O)O)O)O)N(C)C
5281034	5281034	CC12CCC3C(C1CCC2(C)O)CCC4C3(CC(=CO)C(=O)C4)C	CC12CCC3C(C1CCC2(C)O)CCC4C3(CC(=CO)C(=O)C4)C
5281037	5281037	CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C(CC3=CC=CS3)C(=O)O	CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C(CC3=CC=CS3)C(=O)O
5281040	5281040	CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O	CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O
5281042	5281042	C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)CCC=CCCC(=O)OCCC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C	C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)CCC=CCCC(=O)OCCC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C
5281071	5281071	CN(C)CCC=C1C2=CC=CC=C2COC3=C1C=C(C=C3)CC(=O)O	CN(C)CCC=C1C2=CC=CC=C2COC3=C1C=C(C=C3)CC(=O)O
5281075	5281075	CCCCCC(C)(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O	CCCCCC(C)(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O
5281081	5281081	CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C#N	CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C#N
5281090	5281090	CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O	CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O
5281099	5281099	CC1CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC3C(O3)C=CC(=O)O1)O)O)O)C(=O)O)OC4C(C(C(C(O4)C)O)N)O	CC1CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC3C(O3)C=CC(=O)O1)O)O)O)C(=O)O)OC4C(C(C(C(O4)C)O)N)O
5281104	5281104	CC(C=CC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3)O)O)C	CC(C=CC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3)O)O)C
5281106	5281106	CC1=CN=C(S1)NC(=C2C(=O)C3=CC=CC=C3S(=O)(=O)N2C)O	CC1=CN=C(S1)NC(=C2C(=O)C3=CC=CC=C3S(=O)(=O)N2C)O
5281107	5281107	CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C	CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
5281881	5281881	C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO	C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO
5282044	5282044	CC(C)(C)NCC(=O)NC1=C(C2=C(CC3CC4C(C(=O)C(=C(N)O)C(=O)C4(C(=O)C3=C2O)O)N(C)C)C(=C1)N(C)C)O	CC(C)(C)NCC(=O)NC1=C(C2=C(CC3CC4C(C(=O)C(=C(N)O)C(=O)C4(C(=O)C3=C2O)O)N(C)C)C(=C1)N(C)C)O
5282226	5282226	CC(C)OC(=O)CCCC=CCC1C(CC(C1C=CC(COC2=CC=CC(=C2)C(F)(F)F)O)O)O	CC(C)OC(=O)CCCC=CCC1C(CC(C1C=CC(COC2=CC=CC(=C2)C(F)(F)F)O)O)O
5282241	5282242	C1C=C(N2C(S1)C(C2=O)NC(=O)C(=CCC(=O)O)C3=CSC(=N3)N)C(=O)O.O.O	C1C=C(N2C(S1)C(C2=O)NC(=O)C(=CCC(=O)O)C3=CSC(=N3)N)C(=O)O
5282379	5282379	CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C	CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
5282381	5282381	CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)OC)O)O	CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)OC)O)O
5282411	5282411	CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)O2)O)O	CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)O2)O)O
5282429	5282430	C1=CC2=C(C=C1S(=O)(=O)O)C(=O)C(=C3C(=O)C4=C(N3)C=CC(=C4)S(=O)(=O)O)N2.[Na+].[Na+]	C1=CC2=C(C=C1S(=O)(=O)O)C(=O)C(=C3C(=O)C4=C(N3)C=CC(=C4)S(=O)(=O)O)N2
5282451	5282452	C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(CC(=O)[O-])O)O)C4=CC=C(C=C4)F.C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(CC(=O)[O-])O)O)C4=CC=C(C=C4)F.[Ca+2]	C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(CC(=O)O)O)O)C4=CC=C(C=C4)F
5284371	5284371	CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O	CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O
5284513	5284513	CC1=CC(=C(C(=C1C=CC(=CC=CC(=CC(=O)O)C)C)C)C)OC	CC1=CC(=C(C(=C1C=CC(=CC=CC(=CC(=O)O)C)C)C)C)OC
5284537	5284537	CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)O	CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)O
5284549	5284549	CCNC1CC(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C	CCNC1CC(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C
5284566	5284566	CN1C2CCCC1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C	CN1C2CCCC1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C
5284570	5284570	CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(=O)CC4	CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(=O)CC4
5284583	5284583	CCC(C(=O)N)N1CCCC1=O	CCC(C(=O)N)N1CCCC1=O
5284592	5284592	CCCCCCC(C)(C)C1=CC2=C(C3CC(=O)CCC3C(O2)(C)C)C(=C1)O	CCCCCCC(C)(C)C1=CC2=C(C3CC(=O)CCC3C(O2)(C)C)C(=C1)O
5284596	5284596	C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O	C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O
5284603	5284603	CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O	CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O
5284616	5284616	CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC	CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC
5284627	5284627	CC1(OC2COC3(C(C2O1)OC(O3)(C)C)COS(=O)(=O)N)C	CC1(OC2COC3(C(C2O1)OC(O3)(C)C)COS(=O)(=O)N)C
5284631	5284632	C1CC[N+]2(C1)C3CCC2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O.[Cl-]	C1CC[N+]2(C1)C3CCC2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O
5288783	5288783	CC(C=CC(C1CC1)O)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C	CC(C=CC(C1CC1)O)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C
5288826	5288826	CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O	CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O
5311000	5311000	CC1CC2C3C(CC4=CC(=O)C=CC4(C3C(CC2(C1(C(=O)CO)O)C)O)C)Cl	CC1CC2C3C(CC4=CC(=O)C=CC4(C3C(CC2(C1(C(=O)CO)O)C)O)C)Cl
5311027	5311027	CCNC(=O)CCCC=CCC1C(CC(C1C=CC(CCC2=CC=CC=C2)O)O)O	CCNC(=O)CCCC=CCC1C(CC(C1C=CC(CCC2=CC=CC=C2)O)O)O
5311051	5311051	CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CCl)O)C)O)F)C	CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CCl)O)C)O)F)C
5311052	5311052	CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1C(=O)CO)C)O)Cl)C)F	CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1C(=O)CO)C)O)Cl)C)F
5311066	5311066	CC1(OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C)C	CC1(OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C)C
5311067	5311067	CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1C(=O)CO)C)O)F)C	CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1C(=O)CO)C)O)F)C
5311068	5311068	CC1=C(C(=CC=C1)C(C)C2=CN=CN2)C	CC1=C(C(=CC=C1)C(C)C2=CN=CN2)C
5311101	5311101	CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)SCF)O)C)O)F)C)F	CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)SCF)O)C)O)F)C)F
5311167	5311167	CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CCl)O)C)O)F)C)F	CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CCl)O)C)O)F)C)F
5311181	5311181	CC#CCC(C)C(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O	CC#CCC(C)C(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O
5311221	5311221	CC(C)OC(=O)CCCC=CCC1C(CC(C1CCC(CCC2=CC=CC=C2)O)O)O	CC(C)OC(=O)CCCC=CCC1C(CC(C1CCC(CCC2=CC=CC=C2)O)O)O
5311236	5311236	CCCCCCCC(=O)CCC1C(CC(C1CC=CCCCC(=O)O)O)O	CCCCCCCC(=O)CCC1C(CC(C1CC=CCCCC(=O)O)O)O
5311304	5311304	C1CC(C1)CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)O	C1CC(C1)CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)O
5311309	5311309	CC(C)C1CCC(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)O	CC(C)C1CCC(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)O
5311412	5311412	CCC(=O)C1(C(CC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C)C	CCC(=O)C1(C(CC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C)C
5311489	5311490	CC1=CC(=CC2=C1C=CC(=O)O2)NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)NC(=O)C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C.CC(=O)O	CC1=CC(=CC2=C1C=CC(=O)O2)NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)NC(=O)C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C
5312125	5312125	CC(CC1=CC2=C(C(=C1)C(=O)N)N(CC2)CCCO)NCCOC3=CC=CC=C3OCC(F)(F)F	CC(CC1=CC2=C(C(=C1)C(=O)N)N(CC2)CCCO)NCCOC3=CC=CC=C3OCC(F)(F)F
5324345	5324346	COCCCCC(=NOCC[NH3+])C1=CC=C(C=C1)C(F)(F)F	COCCCCC(=NOCCN)C1=CC=C(C=C1)C(F)(F)F
5329102	5329102	CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C	CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C
5352062	5352062	CC=C1C(=O)NC(C(=O)OC2CC(=O)NC(C(=O)NC(CSSCCC=C2)C(=O)N1)C(C)C)C(C)C	CC=C1C(=O)NC(C(=O)OC2CC(=O)NC(C(=O)NC(CSSCCC=C2)C(=O)N1)C(C)C)C(C)C
5353562	5353562	CN(C)NN=C1C(=NC=N1)C(=O)N	CN(C)NN=C1C(=NC=N1)C(=O)N
5353853	5353853	C1=CC(=C(C=C1Cl)Cl)CON=C(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl	C1=CC(=C(C=C1Cl)Cl)CON=C(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
5353894	5353895	CN1C=CC=CC1=C[NH+]=O	CN1C=CC=CC1=CN=O
5355130	5355130	CCCCC(CC)COC(=O)C=CC1=CC=C(C=C1)OC	CCCCC(CC)COC(=O)C=CC1=CC=C(C=C1)OC
5359476	5359476	C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NN=C3C=CC(=O)C(=C3)C(=O)O	C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NN=C3C=CC(=O)C(=C3)C(=O)O
5360126	5360126	C1=CC(=C(C=C1NN=C2C=CC(=O)C(=C2)C(=O)[O-])C(=O)[O-])O.[Na+].[Na+]	C1=CC(=C(C=C1NN=C2C=CC(=O)C(=C2)C(=O)[O-])C(=O)[O-])O.[Na+].[Na+]
5360373	5360373	CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O	CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O
5360515	5360515	C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)O	C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)O
5360696	5360696	CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)OC	CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)OC
5361092	5361092	C1CCC2(C3CC4=C(C2(C1)CCN3CC5CCC5)C=C(C=C4)O)O	C1CCC2(C3CC4=C(C2(C1)CCN3CC5CCC5)C=C(C=C4)O)O
5361917	5361918	C[N+]1(CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O)CC6CC6.[Br-]	C[N+]1(CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O)CC6CC6
5362032	5362032	CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)O	CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)O
5362070	5362070	C1=CC(=CC=C1C(=O)NCCC(=O)O)NN=C2C=CC(=O)C(=C2)C(=O)O	C1=CC(=CC=C1C(=O)NCCC(=O)O)NN=C2C=CC(=O)C(=C2)C(=O)O
5362118	5362119	C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O.O.O	C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O
5362123	5362124	CCOC(=O)C(CCC1=CC=CC=C1)NC2CCC3=CC=CC=C3N(C2=O)CC(=O)O.Cl	CCOC(=O)C(CCC1=CC=CC=C1)NC2CCC3=CC=CC=C3N(C2=O)CC(=O)O
5362129	5362129	CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3CCCC3CC2C(=O)O	CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3CCCC3CC2C(=O)O
5362420	5362420	CC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C6(C(C(=CC=C6C(=N5)C=C1N2)C(=O)OC)C(=O)OC)C)C)CCC(=O)OC)C(=C3C)CCC(=O)O)C=C	CC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C6(C(C(=CC=C6C(=N5)C=C1N2)C(=O)OC)C(=O)OC)C)C)CCC(=O)OC)C(=C3C)CCC(=O)O)C=C
5362440	5362440	CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=CC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O)CC5=CN=CC=C5	CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=CC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O)CC5=CN=CC=C5
5388961	5388962	CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)O.C(=CC(=O)O)C(=O)O	CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)O
5458213	5458213	CC1C=CC=C(C(=O)NC2=C(C3=C(C(=C4C(=C3C(=O)C2=CNN5CCN(CC5)C)C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C	CC1C=CC=C(C(=O)NC2=C(C3=C(C(=C4C(=C3C(=O)C2=CNN5CCN(CC5)C)C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C
5460135	6713940	CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=N7)C=C8C(C(C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3]	CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)N7)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O
5462516	5462516	CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=C4)C5=CN=CC=C5)C	CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=C4)C5=CN=CC=C5)C
5478817	444972	C(=CC(=O)O)C(=O)O.[Fe]	C(=CC(=O)O)C(=O)O
5479529	5479529	CON=C(C1=CC=CO1)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O	CON=C(C1=CC=CO1)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O
5479530	5479530	CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O	CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O
5479537	5491295	C[N+]1(CCCC1)CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-]	C[N+]1(CCCC1)CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O
5481173	6321415	CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-]	CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)O
5481350	5481350	CC(C)OC(=O)OCOP(=O)(COC(C)CN1C=NC2=C1N=CN=C2N)OCOC(=O)OC(C)C	CC(C)OC(=O)OCOP(=O)(COC(C)CN1C=NC2=C1N=CN=C2N)OCOC(=O)OC(C)C
5484727	5484727	CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3CCCCC3CC2C(=O)O	CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3CCCCC3CC2C(=O)O
5486971	5486971	CC(C)CC(CC(=O)O)CN	CC(C)CC(CC(=O)O)CN
5487301	5487301	CCCCCN=C(N)NNC=C1C=NC2=C1C=C(C=C2)CO	CCCCCN=C(N)NNC=C1C=NC2=C1C=C(C=C2)CO
5488547	5488548	CC1CN(CCC1(C)C2=CC(=CC=C2)O)CC(CC3=CC=CC=C3)C(=O)NCC(=O)O.O.O	CC1CN(CCC1(C)C2=CC(=CC=C2)O)CC(CC3=CC=CC=C3)C(=O)NCC(=O)O
5493381	5493381	C1=CC(=C2NC(=C3C=CC=CC3=O)N(N2)C4=CC=C(C=C4)C(=O)O)C(=O)C=C1	C1=CC(=C2NC(=C3C=CC=CC3=O)N(N2)C4=CC=C(C=C4)C(=O)O)C(=O)C=C1
5493444	5493444	CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N	CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N
5702160	5702160	C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N	C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N
5742673	5742673	CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O	CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O
5742832	5742832	CC1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=NOC(C)(C)C(=O)O)C2=CSC(=N2)N	CC1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=NOC(C)(C)C(=O)O)C2=CSC(=N2)N
6003770	6003770	C1=CC(=C(C=C1NN=C2C=CC(=O)C(=C2)C(=O)O)C(=O)O)O	C1=CC(=C(C=C1NN=C2C=CC(=O)C(=C2)C(=O)O)C(=O)O)O
6321411	6321411	C=CC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(=O)O)C3=CSC(=N3)N)SC1)C(=O)O	C=CC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(=O)O)C3=CSC(=N3)N)SC1)C(=O)O
6323490	6323490	CC1C=CC=C(C(=O)NC2=C3C(=NC4(N3)CCN(CC4)CC(C)C)C5=C6C(=C(C(=C5C2=O)O)C)OC(C6=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C	CC1C=CC=C(C(=O)NC2=C3C(=NC4(N3)CCN(CC4)CC(C)C)C5=C6C(=C(C(=C5C2=O)O)C)OC(C6=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C
6323497	6323497	CC1C=CC=C(C(=O)NC2=C(C3=C(C(=C4C(=C3C(=O)C2=CNN5CCN(CC5)C6CCCC6)C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C	CC1C=CC=C(C(=O)NC2=C(C3=C(C(=C4C(=C3C(=O)C2=CNN5CCN(CC5)C6CCCC6)C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C
6326970	6326970	[Se]	[Se]
6333887	153711	CC[PH+](CC)CC.CC[PH+](CC)CC.CC(=O)OCC1C(C(C(C(O1)[SH2+])OC(=O)C)OC(=O)C)OC(=O)C.[Au].[Au]	CC(=O)OCC1C(C(C(C(O1)S)OC(=O)C)OC(=O)C)OC(=O)C
6335412	6335412	C1=CC(=CC=C1C(=O)NCCC(=O)O)NN=C2C=CC(=O)C(=C2)C(=O)O	C1=CC(=CC=C1C(=O)NCCC(=O)O)NN=C2C=CC(=O)C(=C2)C(=O)O
6335986	6335986	COCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O	COCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O
6337614	6337614	C1CC2CN(C(=O)C3=C2C(=CC=C3)C1)C4CN5CCC4CC5	C1CC2CN(C(=O)C3=C2C(=CC=C3)C1)C4CN5CCC4CC5
6433272	6433272	CC1C=CC=CCCC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(C(CCC(CC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O	CC1C=CC=CCCC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(C(CCC(CC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O
6435755	6436007	CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC.O	CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC
6436173	6436173	CC1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C5=C2N6C=CC(=CC6=N5)C)O)C	CC1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C5=C2N6C=CC(=CC6=N5)C)O)C
6442177	6442177	CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OCCO)C)C)O)OC)C)C)C)OC	CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OCCO)C)C)O)OC)C)C)C)OC
6445540	6445540	CC1CCCC2(C(O2)CC(NC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CSC(=N3)C)C)C	CC1CCCC2(C(O2)CC(NC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CSC(=N3)C)C)C
6474909	6474909	CCC(C)C1C(CCC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C.CC1CCC2(CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)OC1C(C)C	CCC(C)C1C(CCC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C.CC1CCC2(CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)OC1C(C)C
6509979	6509979	CCC1C=C(CC(CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC1=O)O)C)C(=CC4CCC(C(C4)OC)Cl)C)O)C)OC)OC)C)C	CCC1C=C(CC(CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC1=O)O)C)C(=CC4CCC(C(C4)OC)Cl)C)O)C)OC)OC)C)C
6533629	6533629	CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)O	CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)O
6602291	6602291	CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(=O)NC4CC(C(NC(=O)C5C(C(CN5C(=O)C(NC(=O)C(NC(=O)C6CC(CN6C(=O)C(NC4=O)C(C)O)O)C(C(C7=CC(=C(C=C7)O)OS(=O)(=O)O)O)O)C(CC(=O)N)O)C)O)O)O	CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(=O)NC4CC(C(NC(=O)C5C(C(CN5C(=O)C(NC(=O)C(NC(=O)C6CC(CN6C(=O)C(NC4=O)C(C)O)O)C(C(C7=CC(=C(C=C7)O)OS(=O)(=O)O)O)O)C(CC(=O)N)O)C)O)O)O
6604100	6914273	C1C(=O)N=C(N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])[O-].[Na+]	C1C(=O)NC(=O)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]
6604200	6604200	C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-]	C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-]
6708482	6708482	CCC(=O)OC(C(C)C)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2CC(CC2C(=O)O)C3CCCCC3	CCC(=O)OC(C(C)C)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2CC(CC2C(=O)O)C3CCCCC3
6714002	6714002	CCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)OC(=O)OCC	CCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)OC(=O)OCC
6850789	5988	C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O.[O-2].[O-2].[O-2].[Fe+3].[Fe+3]	C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O
6915944	6915944	C=CC1=C(N2C(C(C2=O)NC(=O)C(=NO)C3=CSC(=N3)N)SC1)C(=O)O	C=CC1=C(N2C(C(C2=O)NC(=O)C(=NO)C3=CSC(=N3)N)SC1)C(=O)O
6917715	6917715	CCC12CC(=C)C3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34	CCC12CC(=C)C3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34
6918010	6918011	CC(C)C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)N)C(=O)NC(C(C)O)C(=O)N.CC(=O)O	CC(C)C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)N)C(=O)NC(C(C)O)C(=O)N
6918140	6918140	CCCCCC(CCC1C(CC2C1CC3=C(C2)C(=CC=C3)OCC(=O)O)O)O	CCCCCC(CCC1C(CC2C1CC3=C(C2)C(=CC=C3)OCC(=O)O)O)O
6918155	6918155	CC(C)C(=O)OCC(=O)C12C(CC3C1(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)OC(O2)C6CCCCC6	CC(C)C(=O)OCC(=O)C12C(CC3C1(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)OC(O2)C6CCCCC6
6918296	6918296	CC12CCC3C(C1CCC2C(=O)NC4=C(C=CC(=C4)C(F)(F)F)C(F)(F)F)CCC5C3(C=CC(=O)N5)C	CC12CCC3C(C1CCC2C(=O)NC4=C(C=CC(=C4)C(F)(F)F)C(F)(F)F)CCC5C3(C=CC(=O)N5)C
6918365	6918365	CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NC(=O)NN3)C4=CC=C(C=C4)F	CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NC(=O)NN3)C4=CC=C(C=C4)F
6918438	6918438	CC1=C(OC(=O)O1)COC(=O)N2CCC(C2)N3CCC(=CC4=C(N5C(C(C5=O)NC(=O)C(=C6NSC(=N6)N)N=O)SC4)C(=O)O)C3=O	CC1=C(OC(=O)O1)COC(=O)N2CCC(C2)N3CCC(=CC4=C(N5C(C(C5=O)NC(=O)C(=C6NSC(=N6)N)N=O)SC4)C(=O)O)C3=O
6918456	6918456	CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4	CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4
6918462	6918462	CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CSC4CC5CCC(C4)N5C)C	CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CSC4CC5CCC(C4)N5C)C
6918493	6918493	CC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C	CC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C
6918554	6918554	CCC1=C(C=C2CC(CC2=C1)NCC(C3=C4C=CC(=O)NC4=C(C=C3)O)O)CC	CCC1=C(C=C2CC(CC2=C1)NCC(C3=C4C=CC(=O)NC4=C(C=C3)O)O)CC
6918558	6918558	CC(C)C(=O)OC1=C(C=C(C=C1)CO)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2	CC(C)C(=O)OC1=C(C=C(C=C1)CO)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2
9552079	9552079	C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl	C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl
9568613	9568614	CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[Mg+2]	CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC
9571107	9571107	CON=C1CN(CC1CN)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F	CON=C1CN(CC1CN)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F
9578005	9578005	CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F	CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F
9578572	9578572	CCCCCCOC(=O)N=C(C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)N	CCCCCCOC(=O)N=C(C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)N
9690109	9690109	C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)N	C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)N
9815560	9815560	C1CCC(CC1)C2CC(NC2)C(=O)O	C1CCC(CC1)C2CC(NC2)C(=O)O
9833444	9833444	CSCCC(C(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N)NC(=O)C(CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)C(CC(=O)O)N	CSCCC(C(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N)NC(=O)C(CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)C(CC(=O)O)N
9838021	9838022	CCC(C1=CC(=CC=C1)O)C(C)CN(C)C.Cl	CCC(C1=CC(=CC=C1)O)C(C)CN(C)C
9854489	9854489	CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)SCF)OC(=O)C5=CC=CO5)C)O)F)C)F	CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)SCF)OC(=O)C5=CC=CO5)C)O)F)C)F
9865442	9865442	CC12CC(C3C(C1CCC2(C(=O)OCCl)O)CCC4=CC(=O)C=CC34C)O	CC12CC(C3C(C1CCC2(C(=O)OCCl)O)CCC4=CC(=O)C=CC34C)O
9870843	9870843	CC1=C(SC=N1)C=CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O	CC1=C(SC=N1)C=CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O
9875401	9875401	C1COCC(=O)N1C2=CC=C(C=C2)N3CC(OC3=O)CNC(=O)C4=CC=C(S4)Cl	C1COCC(=O)N1C2=CC=C(C=C2)N3CC(OC3=O)CNC(=O)C4=CC=C(S4)Cl
9916860	189914	C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)C(CO)C(CO)O)CC(=O)O.[Gd]	C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)C(CO)C(CO)O)CC(=O)O
10113978	10113978	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N	CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N
10909430	10909430	CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCCCC(C(=O)NC(C(=O)N1)CCCN)NC(=O)C(C(C)CC)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C2CSC(=N2)C(C(C)CC)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4	CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCCCC(C(=O)NC(C(=O)N1)CCCN)NC(=O)C(C(C)CC)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C2CSC(=N2)C(C(C)CC)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4
11243969	11243969	C1C2CC2N(C1C#N)C(=O)C(C34CC5CC(C3)CC(C5)(C4)O)N	C1C2CC2N(C1C#N)C(=O)C(C34CC5CC(C3)CC(C5)(C4)O)N
11598201	11598201	CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(NCC3=CC=C(C=C3)F)O)C(=O)C(=O)N2C	CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(NCC3=CC=C(C=C3)F)O)C(=O)C(=O)N2C
11979316	11979316	C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCCN)C(=O)NCC(=O)N.C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N	C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCCN)C(=O)NCC(=O)N.C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N
16129616	16129616	CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)CC(=O)N)CO)N)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC2=CN=CN2)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)N4CCCC4C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)NC(C(C)O)C(=O)N5CCCC5C(=O)N)C(C)O)CO	CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)CC(=O)N)CO)N)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC2=CN=CN2)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)N4CCCC4C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)NC(C(C)O)C(=O)N5CCCC5C(=O)N)C(C)O)CO
16129617	16129617	CC(C)C(C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)N3CCCC3C(=O)O)NC(=O)C4CCCN4C(=O)C(CCCCN)NC(=O)CNC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC7=CC=CC=C7)NC(=O)C(CC8=CNC=N8)NC(=O)C(CCC(=O)O)NC(=O)C(CCSC)NC(=O)C(CO)NC(=O)C(CC9=CC=C(C=C9)O)NC(=O)C(CO)N	CC(C)C(C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)N3CCCC3C(=O)O)NC(=O)C4CCCN4C(=O)C(CCCCN)NC(=O)CNC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC7=CC=CC=C7)NC(=O)C(CC8=CNC=N8)NC(=O)C(CCC(=O)O)NC(=O)C(CCSC)NC(=O)C(CO)NC(=O)C(CC9=CC=C(C=C9)O)NC(=O)C(CO)N
16129665	16129665	CC(C)CC(C(=O)NC(C(C)C)C(=O)O)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC2=NC=CN2)N	CC(C)CC(C(=O)NC(C(C)C)C(=O)O)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC2=NC=CN2)N
16129672	16129672	CCC(C)C1C(=O)NC2CSSCC(C(=O)NC(CSSCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CO)CC(C)C)CC3=CC=C(C=C3)O)CCC(=O)N)CC(C)C)CCC(=O)O)CC(=O)N)CC4=CC=C(C=C4)O)C(=O)NC(CC(=O)N)C(=O)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC5=CC=CC=C5)C(=O)NC(CC6=CC=CC=C6)C(=O)NC(CC7=CC=C(C=C7)O)C(=O)NC(C(C)O)C(=O)N8CCCC8C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)O)C(C)C)CC(C)C)CC9=CC=C(C=C9)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)CC2=CN=CN2)CO)NC(=O)C(CC(C)C)NC(=O)C(CC2=CN=CN2)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CC2=CC=CC=C2)N)C(=O)NC(C(=O)NC(C(=O)N1)CO)C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)C)NC(=O)C(C(C)CC)NC(=O)CN	CCC(C)C1C(=O)NC2CSSCC(C(=O)NC(CSSCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CO)CC(C)C)CC3=CC=C(C=C3)O)CCC(=O)N)CC(C)C)CCC(=O)O)CC(=O)N)CC4=CC=C(C=C4)O)C(=O)NC(CC(=O)N)C(=O)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC5=CC=CC=C5)C(=O)NC(CC6=CC=CC=C6)C(=O)NC(CC7=CC=C(C=C7)O)C(=O)NC(C(C)O)C(=O)N8CCCC8C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)O)C(C)C)CC(C)C)CC9=CC=C(C=C9)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)CC2=CN=CN2)CO)NC(=O)C(CC(C)C)NC(=O)C(CC2=CN=CN2)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CC2=CC=CC=C2)N)C(=O)NC(C(=O)NC(C(=O)N1)CO)C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)C)NC(=O)C(C(C)CC)NC(=O)CN
16129682	16129682	CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)NC(CC1=CNC=N1)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC2=CNC=N2)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NC(CCSC)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)NC(CC5=CNC=N5)C(=O)NC(CC(=O)N)C(=O)NC(CC6=CC=CC=C6)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(CO)N	CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)NC(CC1=CNC=N1)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC2=CNC=N2)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NC(CCSC)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)NC(CC5=CNC=N5)C(=O)NC(CC(=O)N)C(=O)NC(CC6=CC=CC=C6)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(CO)N
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16129703	16129703	CCC(C)C1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC2C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)C(C)C)CC(=O)N)CO)CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C3CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3)CC(C)C)CC(=O)N)CCC(=O)N)CO)CCC(=O)O)C(C)O)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C(C)C)NC(=O)C(C(C)C)N)C(=O)N1)CCCCN)CC(=O)N)CCC(=O)N)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(C(C)O)C(=O)N5CCCC5C(=O)NC(CCCCN)C(=O)N6CCCC6C(=O)NC(CCC(=O)N)C(=O)NC(CO)C(=O)NC(CC7=CN=CN7)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CC8=CC=CC=C8)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)N9CCCC9C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)O)CCC(=O)N)CC(=O)N)CCCCN)CCC(=O)O)CC(=O)O)CO)CC(C)C	CCC(C)C1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC2C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)C(C)C)CC(=O)N)CO)CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C3CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3)CC(C)C)CC(=O)N)CCC(=O)N)CO)CCC(=O)O)C(C)O)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C(C)C)NC(=O)C(C(C)C)N)C(=O)N1)CCCCN)CC(=O)N)CCC(=O)N)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(C(C)O)C(=O)N5CCCC5C(=O)NC(CCCCN)C(=O)N6CCCC6C(=O)NC(CCC(=O)N)C(=O)NC(CO)C(=O)NC(CC7=CN=CN7)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CC8=CC=CC=C8)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)N9CCCC9C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)O)CCC(=O)N)CC(=O)N)CCCCN)CCC(=O)O)CC(=O)O)CO)CC(C)C
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16132446	16132446	CCC(C)C(C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)N)NC(=O)C4CCCN4C(=O)CNC(=O)C(CC5=CC=CC=C5)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CC6=CN=CN6)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC7=CC=CC=C7)NC(=O)C(CC(=O)N)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)O)NC(=O)C(C)NC(=O)C(CS)NC(=O)C(C(C)O)NC(=O)C(C)NC(=O)C(C(C)O)NC(=O)C(CC(=O)N)NC(=O)C(CS)NC(=O)C(CCCCN)N	CCC(C)C(C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)N)NC(=O)C4CCCN4C(=O)CNC(=O)C(CC5=CC=CC=C5)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CC6=CN=CN6)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC7=CC=CC=C7)NC(=O)C(CC(=O)N)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)O)NC(=O)C(C)NC(=O)C(CS)NC(=O)C(C(C)O)NC(=O)C(C)NC(=O)C(C(C)O)NC(=O)C(CC(=O)N)NC(=O)C(CS)NC(=O)C(CCCCN)N
16133810	16133810	CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1NC(=NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O	CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1NC(=NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O
16136245	16136245	CC(C)CC(C(=O)NC(CCCCNC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)NC(=O)N)NC(=O)C(CC3=CC=C(C=C3)NC(=O)C4CC(=O)NC(=O)N4)NC(=O)C(CO)NC(=O)C(CC5=CN=CC=C5)NC(=O)C(CC6=CC=C(C=C6)Cl)NC(=O)C(CC7=CC8=CC=CC=C8C=C7)NC(=O)C	CC(C)CC(C(=O)NC(CCCCNC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)NC(=O)N)NC(=O)C(CC3=CC=C(C=C3)NC(=O)C4CC(=O)NC(=O)N4)NC(=O)C(CO)NC(=O)C(CC5=CN=CC=C5)NC(=O)C(CC6=CC=C(C=C6)Cl)NC(=O)C(CC7=CC8=CC=CC=C8C=C7)NC(=O)C
16157882	16157882	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NCC(=O)NCC(=O)N3CCCC3C(=O)NC(CO)C(=O)NC(CO)C(=O)NCC(=O)NC(C)C(=O)N4CCCC4C(=O)N5CCCC5C(=O)N6CCCC6C(=O)NC(CO)C(=O)N)NC(=O)C(CC7=CC=CC=C7)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCSC)NC(=O)C(CCC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC8=CC=CC=C8)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(CC9=CN=CN9)N	CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NCC(=O)NCC(=O)N3CCCC3C(=O)NC(CO)C(=O)NC(CO)C(=O)NCC(=O)NC(C)C(=O)N4CCCC4C(=O)N5CCCC5C(=O)N6CCCC6C(=O)NC(CO)C(=O)N)NC(=O)C(CC7=CC=CC=C7)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCSC)NC(=O)C(CCC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC8=CC=CC=C8)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(CC9=CN=CN9)N
16682734	16682735	C1=CC=C2C(=C1)C(=O)O[Bi]O2.O	C1=CC=C2C(=C1)C(=O)O[Bi]O2
21585658	21585658	CCCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC3C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)C(C)CC(=O)O)CC(=O)C4=CC=CC=C4N)C	CCCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC3C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)C(C)CC(=O)O)CC(=O)C4=CC=CC=C4N)C
23668479	54671008	CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)[O-])C(=O)NCC3=CC=C(C=C3)F.[K+]	CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCC3=CC=C(C=C3)F
23724511	23724511	COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C7C(O6)COC(O7)C8=CC=CS8)O)O	COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C7C(O6)COC(O7)C8=CC=CS8)O)O
23724530	23724530	CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC	CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC
23724781	23724782	C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C.[Br-]	C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C
23725062	23725062	CC(C)OC(=O)CCCC=CCC1C(CC(C1C=CC(OCC2=CC=CC=C2)(F)F)O)O	CC(C)OC(=O)CCCC=CCC1C(CC(C1C=CC(OCC2=CC=CC=C2)(F)F)O)O
24836902	24836903	CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=N7)C=C8C(C(C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.O.[Co+2]	CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)N7)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O
24836904	24836904	CCC(C)CCCCC(=O)NCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)CCN)CC(C)C)CCN)CCN)CCN)C(C)O	CCC(C)CCCCC(=O)NCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)CCN)CC(C)C)CCN)CCN)CCN)C(C)O
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