drugbank_smiles.txt

DB00006	CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(C)C)C(O)=O
DB00007	CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1
DB00014	CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O
DB00027	CC(C)C[C@@H](NC(=O)CNC(=O)[C@@H](NC=O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)NCCO
DB00035	NC(=O)CC[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O
DB00050	CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CN=CC=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
DB00067	NCCCCC(NC(=O)C1CCCN1C(=O)C1CSSCC(N)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)N1)C(=O)NCC(N)=O.NC1CSSCC(NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC2=CC=C(O)C=C2)NC1=O)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NCC(N)=O
DB00080	CCCCCCCCCC(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@H](CC(=O)C2=C(N)C=CC=C2)NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)NC(=O)CNC1=O)[C@H](C)CC(O)=O
DB00091	CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
DB00093	NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
DB00104	[H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@H](N)CC1=CC=CC=C1)[C@@H](C)O
DB00106	CC(C)C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](CC1=CN=CC=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=C(C=CC=C2)C=C1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
DB00114	CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O
DB00115	C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2N=C1\C(C)=C1/N=C(/C=C3\N=C(\C(\C)=C4\[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@@]2(C)N4[Co+]C#N)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O)OP([O-])(=O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)N1C=NC2=C1C=C(C)C(C)=C2
DB00116	NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2)N1
DB00117	N[C@@H](CC1=CNC=N1)C(O)=O
DB00118	[H][C@](N)(CC[S+](C)C[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O)C([O-])=O
DB00119	CC(=O)C(O)=O
DB00120	N[C@@H](CC1=CC=CC=C1)C(O)=O
DB00121	[H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2
DB00122	C[N+](C)(C)CCO
DB00123	NCCCC[C@H](N)C(O)=O
DB00125	N[C@@H](CCCNC(N)=N)C(O)=O
DB00126	[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO
DB00127	NCCCNCCCCNCCCN
DB00128	N[C@@H](CC(O)=O)C(O)=O
DB00129	NCCC[C@H](N)C(O)=O
DB00130	N[C@@H](CCC(N)=O)C(O)=O
DB00131	NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1
DB00132	CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O
DB00133	N[C@@H](CO)C(O)=O
DB00134	CSCC[C@H](N)C(O)=O
DB00135	N[C@@H](CC1=CC=C(O)C=C1)C(O)=O
DB00136	C[C@H](CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
DB00137	C\C(\C=C\C=C(/C)\C=C\[C@H]1C(C)=C[C@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C
DB00138	N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O
DB00139	OC(=O)CCC(O)=O
DB00140	CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1
DB00141	[H]C(=O)[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO
DB00142	N[C@@H](CCC(O)=O)C(O)=O
DB00143	N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
DB00144	CCCC(=O)O[C@H](COC(=O)CC)COP(O)(=O)OC[C@H](N)C(O)=O
DB00145	NCC(O)=O
DB00146	C[C@H](CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C
DB00147	CC1=NC=C(CO)C(C=O)=C1O
DB00148	CN(CC(O)=O)C(N)=N
DB00149	CC(C)C[C@H](N)C(O)=O
DB00150	N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O
DB00151	N[C@@H](CS)C(O)=O
DB00152	CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1N
DB00153	CC(C)[C@@H](C)\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C
DB00154	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(O)=O
DB00155	N[C@@H](CCCNC(N)=O)C(O)=O
DB00156	C[C@@H](O)[C@H](N)C(O)=O
DB00157	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O
DB00158	NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CN=C2N1
DB00159	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
DB00160	C[C@H](N)C(O)=O
DB00161	CC(C)[C@H](N)C(O)=O
DB00162	C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
DB00163	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C
DB00165	CC1=C(O)C(CO)=C(CO)C=N1
DB00166	OC(=O)CCCC[C@@H]1CCSS1
DB00167	CC[C@H](C)[C@H](N)C(O)=O
DB00168	COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC(O)=O
DB00169	CC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C
DB00170	CC1=CC(=O)C2=CC=CC=C2C1=O
DB00171	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
DB00172	OC(=O)[C@@H]1CCCN1
DB00173	NC1=C2NC=NC2=NC=N1
DB00174	N[C@@H](CC(N)=O)C(O)=O
DB00175	[H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC
DB00176	COCCCC\C(=N/OCCN)C1=CC=C(C=C1)C(F)(F)F
DB00177	CCCCC(=O)N(CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1)[C@@H](C(C)C)C(O)=O
DB00178	[H][C@@]12CCC[C@]1([H])N([C@@H](C2)C(O)=O)C(=O)[C@H](C)N[C@@H](CCC1=CC=CC=C1)C(=O)OCC
DB00179	C[C@@H](CC1=CC(O)=C(O)C=C1)[C@H](C)CC1=CC(O)=C(O)C=C1
DB00180	[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO
DB00181	NCC(CC(O)=O)C1=CC=C(Cl)C=C1
DB00182	CC(N)CC1=CC=CC=C1
DB00183	CSCC[C@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O
DB00184	CN1CCC[C@H]1C1=CN=CC=C1
DB00185	CC1O[C@@]2(CS1)CN1CCC2CC1
DB00186	OC1N=C(C2=CC=CC=C2Cl)C2=C(NC1=O)C=CC(Cl)=C2
DB00187	COC(=O)CCC1=CC=C(OCC(O)CNC(C)C)C=C1
DB00188	CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CN=CC=N1)B(O)O
DB00189	CCC(O)(\C=C\Cl)C#C
DB00190	C[C@@](CC1=CC(O)=C(O)C=C1)(NN)C(O)=O
DB00191	CC(C)(N)CC1=CC=CC=C1
DB00192	CC(C)NCCCC1(C(N)=O)C2=CC=CC=C2C2=CC=CC=C12
DB00193	COC1=CC=CC(=C1)[C@@]1(O)CCCC[C@@H]1CN(C)C
DB00194	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
DB00195	CC(C)NCC(O)COC1=CC=C(CCOCC2CC2)C=C1
DB00196	OC(CN1C=NC=N1)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1
DB00197	CC1=C(C)C2=C(CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)O2)C(C)=C1O
DB00198	CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1
DB00199	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
DB00200	[N+]1=2[Co-3]345([N+]6=C7[C@H]([C@@](CC(=O)N)(C)[C@@]6([C@@]6(N3C(=C(C)C3=[N+]4C(C(C)(C)[C@@H]3CCC(=O)N)=CC3=[N+]5C(=C7C)[C@@](CC(=O)N)([C@@H]3CCC(=O)N)C)[C@@](C)([C@H]6CC(=O)N)CCC(NC[C@@H](C)OP(=O)(O[C@@H]3[C@H](O[C@H](N(C4=CC(=C(C=C14)C)C)C=2)[C@@H]3O)CO)[O-])=O)[H])C)CCC(=O)N)O[H]
DB00201	CN1C=NC2=C1C(=O)N(C)C(=O)N2C
DB00202	C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C
DB00203	CCCC1=NN(C)C2=C1NC(=NC2=O)C1=C(OCC)C=CC(=C1)S(=O)(=O)N1CCN(C)CC1
DB00204	CN(CCOC1=CC=C(NS(C)(=O)=O)C=C1)CCC1=CC=C(NS(C)(=O)=O)C=C1
DB00205	CCC1=C(C(N)=NC(N)=N1)C1=CC=C(Cl)C=C1
DB00206	[H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2
DB00207	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
DB00208	ClC1=CC=CC=C1CN1CCC2=C(C1)C=CS2
DB00209	[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1)[N+]21CCCC1
DB00210	COC1=C(C=C(C=C1)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O)C12CC3CC(CC(C3)C1)C2
DB00211	COC1=CC(C(O)CNC(=O)CN)=C(OC)C=C1
DB00212	CC(C)(C)S(=O)(=O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1
DB00213	COC1=C(OC)C(CS(=O)C2=NC3=C(N2)C=C(OC(F)F)C=C3)=NC=C1
DB00214	CC(C)NC(=O)NS(=O)(=O)C1=C(NC2=CC=CC(C)=C2)C=CN=C1
DB00215	CN(C)CCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1
DB00216	CN1CCC[C@@H]1CC1=CNC2=C1C=C(CCS(=O)(=O)C1=CC=CC=C1)C=C2
DB00217	CN\C(NCC1=CC=CC=C1)=N/C
DB00218	[H][C@]12CN(C[C@@]1([H])NCCC2)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1OC)C(O)=O
DB00219	CC[N+](C)(CC)CCOC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1
DB00220	[H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](CSC1=CC=CC=C1)NC(=O)C1=C(C)C(O)=CC=C1)[C@@H](C2)C(=O)NC(C)(C)C
DB00221	CCC(NC(C)C)C(O)C1=CC(O)=C(O)C=C1
DB00222	CCC1=C(C)CN(C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)N[C@H]2CC[C@H](C)CC2)C1=O
DB00223	[H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C
DB00224	CC(C)(C)NC(=O)[C@@H]1CN(CC2=CN=CC=C2)CCN1C[C@@H](O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=CC=CC=C12
DB00226	NC(N)=NCC1COC2(CCCCC2)O1
DB00227	[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC
DB00228	FC(F)OC(F)(F)C(F)Cl
DB00229	[H][C@]12SCC(CSC3=NN=NN3CCN(C)C)=C(N1C(=O)[C@H]2NC(=O)CC1=CSC(N)=N1)C(O)=O
DB00230	CC(C)C[C@H](CN)CC(O)=O
DB00231	CN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1
DB00232	CN1C(CCl)NC2=CC(Cl)=C(C=C2S1(=O)=O)S(N)(=O)=O
DB00233	NC1=CC(O)=C(C=C1)C(O)=O
DB00234	[H][C@@](OC1=CC=CC=C1OCC)(C1=CC=CC=C1)[C@@]1([H])CNCCO1
DB00235	CC1=C(C=C(C#N)C(=O)N1)C1=CC=NC=C1
DB00236	BrCCC(=O)N1CCN(CC1)C(=O)CCBr
DB00237	CCC(C)C1(CC)C(=O)NC(=O)NC1=O
DB00238	CC1=C2NC(=O)C3=C(N=CC=C3)N(C3CC3)C2=NC=C1
DB00239	ClC1=CC(Cl)=C(CO\N=C(/CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C=C1
DB00240	[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])[C@H](Cl)CC2=CC(=O)C=C[C@]12C
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DB00687	[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C
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DB00693	OC1=CC=C2C(OC3=CC(O)=CC=C3C22OC(=O)C3=C2C=CC=C3)=C1
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DB00701	CC(C)CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)C1=CC=C(N)C=C1
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DB00705	CC(C)NC1=C(N=CC=C1)N1CCN(CC1)C(=O)C1=CC2=C(N1)C=CC(NS(C)(=O)=O)=C2
DB00706	CCOC1=CC=CC=C1OCCN[C@H](C)CC1=CC(=C(OC)C=C1)S(N)(=O)=O
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DB00722	NCCCC[C@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
DB00723	COC1=CC(C(O)C(C)N)=C(OC)C=C1
DB00724	CC(C)CN1C=NC2=C1C1=CC=CC=C1N=C2N
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DB00726	CC(CN(C)C)CN1C2=CC=CC=C2CCC2=CC=CC=C12
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DB00740	NC1=NC2=C(S1)C=C(OC(F)(F)F)C=C2
DB00741	[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
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DB00760	[H][C@]1([C@@H](C)O)C(=O)N2C(C(O)=O)=C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)[C@H](C)[C@]12[H]
DB00761	[Cl-].[K+]
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DB00764	[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
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DB00821	CC(C(O)=O)C1=CC2=C(C=C1)C1=C(N2)C=CC(Cl)=C1
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DB00827	CCN1N=C(C(O)=O)C(=O)C2=CC3=C(OCO3)C=C12
DB00828	C[C@@H]1O[C@@H]1P(O)(O)=O
DB00829	CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1
DB00830	CC1NCCOC1C1=CC=CC=C1
DB00831	CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1
DB00832	CN1C(=O)CC(C1=O)C1=CC=CC=C1
DB00833	[H][C@]12SCC(Cl)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O
DB00834	[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H]
DB00835	CN(C)CCC(C1=CC=C(Br)C=C1)C1=CC=CC=N1
DB00836	CN(C)C(=O)C(CCN1CCC(O)(CC1)C1=CC=C(Cl)C=C1)(C1=CC=CC=C1)C1=CC=CC=C1
DB00837	NC(=O)CCC\N=C(\C1=CC=C(Cl)C=C1)C1=C(O)C=CC(F)=C1
DB00838	[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C
DB00839	CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CCCCCC1
DB00841	CC(CCC1=CC=C(O)C=C1)NCCC1=CC(O)=C(O)C=C1
DB00842	OC1N=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2
DB00843	COC1=C(OC)C=C2C(=O)C(CC3CCN(CC4=CC=CC=C4)CC3)CC2=C1
DB00844	O[C@H]1CC[C@@]2(O)[C@H]3CC4=CC=C(O)C5=C4[C@@]2(CCN3CC2CCC2)[C@H]1O5
DB00845	CC(C)N=C1C=C2N(C3=CC=C(Cl)C=C3)C3=C(C=CC=C3)N=C2C=C1NC1=CC=C(Cl)C=C1
DB00846	CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO
DB00847	NCCS
DB00848	C1CN2C[C@@H](N=C2S1)C1=CC=CC=C1
DB00849	CCC1(C(=O)NC(=O)N(C)C1=O)C1=CC=CC=C1
DB00850	OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1
DB00851	CN(C)\N=N\C1=C(N=CN1)C(N)=O
DB00852	CN[C@@H](C)[C@@H](O)C1=CC=CC=C1
DB00853	CN1N=NC2=C(N=CN2C1=O)C(N)=O
DB00854	[H][C@@]12CCCC[C@@]11CCN(C)[C@@H]2CC2=C1C=C(O)C=C2
DB00855	NCC(=O)CCC(O)=O
DB00856	OCC(O)COC1=CC=C(Cl)C=C1
DB00857	CN(C\C=C\C#CC(C)(C)C)CC1=CC=CC2=CC=CC=C12
DB00858	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)[C@H](C)C[C@]12C
DB00859	[H][C@](N)(C(O)=O)C(C)(C)S
DB00860	[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
DB00861	OC(=O)C1=C(O)C=CC(=C1)C1=C(F)C=C(F)C=C1
DB00862	CCCC1=NC(C)=C2N1NC(=NC2=O)C1=C(OCC)C=CC(=C1)S(=O)(=O)N1CCN(CC)CC1
DB00863	CNC(NCCSCC1=CC=C(CN(C)C)O1)=C[N+]([O-])=O
DB00864	CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC
DB00865	C[C@@H](CC1=CC=CC=C1)N(C)CC1=CC=CC=C1
DB00866	CC(C)NCC(O)COC1=CC=CC=C1CC=C
DB00867	C[C@H](NCCC1=CC=C(O)C=C1)[C@H](O)C1=CC=C(O)C=C1
DB00868	CCCCNC1=CC=C(C=C1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC
DB00869	CCN[C@H]1C[C@H](C)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O
DB00870	CC(C(O)=O)C1=CC=C(C=C1)C(=O)C1=CC=CS1
DB00871	CC(C)(C)NCC(O)C1=CC(O)=CC(O)=C1
DB00872	CC1=NC2=C(CCN(C(=O)C3=CC=C(NC(=O)C4=CC=CC=C4C4=CC=CC=C4)C=C3)C3=CC=CC=C23)N1
DB00873	[H][C@@]12CC[C@](O)(C(=O)OCCl)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
DB00874	COC1=CC=CC=C1OCC(O)CO
DB00875	[H]\C(CCN1CCN(CCO)CC1)=C1/C2=CC=CC=C2SC2=C1C=C(C=C2)C(F)(F)F
DB00876	CCCCC1=NC=C(\C=C(/CC2=CC=CS2)C(O)=O)N1CC1=CC=C(C=C1)C(O)=O
DB00877	[H][C@@]1(C[C@@H](C)[C@]2([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@]3([H])CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O2)OC)CC[C@@H](O)[C@@H](C1)OC
DB00878	ClC1=CC=C(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC2=CC=C(Cl)C=C2)C=C1
DB00879	NC1=NC(=O)N(C=C1F)[C@@H]1CS[C@H](CO)O1
DB00880	NS(=O)(=O)C1=C(Cl)C=C2NC=NS(=O)(=O)C2=C1
DB00881	CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2=CC=CC=C2C[C@H]1C(O)=O
DB00882	CCN(CC)CCOC1=CC=C(C=C1)C(=C(Cl)C1=CC=CC=C1)C1=CC=CC=C1
DB00883	[H][C@]12OC[C@H](O[N+]([O-])=O)[C@@]1([H])OC[C@H]2O[N+]([O-])=O
DB00884	OC(CC1=CN=CC=C1)(P(O)(O)=O)P(O)(O)=O
DB00886	[H][C@]12CCC[C@H](N1C(=O)[C@H](CCS2)NC(=O)[C@@H](S)CC1=CC=CC=C1)C(O)=O
DB00887	CCCCNC1=C(OC2=CC=CC=C2)C(=CC(=C1)C(O)=O)S(N)(=O)=O
DB00888	CN(CCCl)CCCl
DB00889	CN1N=C(C(=O)N[C@@H]2C[C@@H]3CCC[C@H](C2)N3C)C2=C1C=CC=C2
DB00890	[H]\C(C)=C(/C(=C(\[H])C)/C1=CC=C(O)C=C1)\C1=CC=C(O)C=C1
DB00891	NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1
DB00892	CCCCOC1=C(N)C=CC(=C1)C(=O)OCCN(CC)CC
DB00893	OS(=O)(=O)O.[Fe]
DB00894	[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)OC(=O)CC[C@@]21[H]
DB00895	CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C(CCN)CC(C(=O)O)N
DB00896	[H][C@@]12C[C@@H](C)[C@](C)(C(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
DB00897	CC1=NN=C2CN=C(C3=CC=CC=C3Cl)C3=C(C=CC(Cl)=C3)N12
DB00898	CCO
DB00899	CCC(=O)N(C1=CC=CC=C1)C1(CCN(CCC(=O)OC)CC1)C(=O)OC
DB00900	OC[C@@H]1CC[C@@H](O1)N1C=NC2=C1NC=NC2=O
DB00901	CC1=CC=C(C=C1)C(=O)OC1=C(OC(=O)C2=CC=C(C)C=C2)C=C(C=C1)C(O)CNC(C)(C)C
DB00902	CN1CCC(CN2C3=CC=CC=C3SC3=CC=CC=C23)C1
DB00903	CCC(=C)C(=O)C1=C(Cl)C(Cl)=C(OCC(O)=O)C=C1
DB00904	CN1C2=C(C3=CC=CC=C13)C(=O)C(CN1C=CN=C1C)CC2
DB00905	CCNC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)CCC1=CC=CC=C1
DB00906	CC1=C(SC=C1)C(=CCCN1CCC[C@H](C1)C(O)=O)C1=C(C)C=CS1
DB00907	[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)C1=CC=CC=C1)C(=O)OC)N2C
DB00908	[H][C@@]12CCN(C[C@@H]1C=C)[C@]([H])(C2)[C@@H](O)C1=C2C=C(OC)C=CC2=NC=C1
DB00909	NS(=O)(=O)CC1=NOC2=CC=CC=C12
DB00910	[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C[C@H](O)C1)[C@H](C)\C=C\[C@H](C)C(C)(C)O
DB00911	CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O
DB00912	CCOC1=C(C=CC(CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N2CCCCC2)=C1)C(O)=O
DB00913	CCOC(=O)C1(CCN(CCC2=CC=C(N)C=C2)CC1)C1=CC=CC=C1
DB00914	NC(=N)NC(=N)NCCC1=CC=CC=C1
DB00915	NC12CC3CC(CC(C3)C1)C2
DB00916	CC1=NC=C(N1CCO)[N+]([O-])=O
DB00917	CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
DB00918	CN(C)CCC1=CNC2=C1C=C(CS(=O)(=O)N1CCCC1)C=C2
DB00919	[H][C@@]12O[C@H](C)CC(=O)[C@]1(O)O[C@]1([H])[C@@H](NC)[C@@H](O)[C@@H](NC)[C@H](O)[C@@]1([H])O2
DB00920	CN1CCC(CC1)=C1C2=C(SC=C2)C(=O)CC2=CC=CC=C12
DB00921	CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1CC4=C5C(O[C@@H]2[C@@]35CCN1CC1CC1)=C(O)C=C4
DB00922	C[C@@H]1CC(=O)NN=C1C1=CC=C(NN=C(C#N)C#N)C=C1
DB00923	[H][C@]12SCC(CSC3=NN=NN3CC(O)=O)=C(N1C(=O)[C@H]2NC(=O)CC1=CC=CC=C1CN)C(O)=O
DB00924	CN(C)CCC=C1C2=CC=CC=C2C=CC2=CC=CC=C12
DB00925	CC(COC1=CC=CC=C1)N(CCCl)CC1=CC=CC=C1
DB00926	CCOC(=O)C=C(C)C=CC=C(C)C=CC1=C(C)C(C)=C(OC)C=C1C
DB00927	NC(N)=NC1=NC(CSCCC(N)=NS(N)(=O)=O)=CS1
DB00928	NC1=NC(=O)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
DB00929	CCCCC(C)(O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC
DB00930	CCCCCCCCCCNCC=C.C[N+](C)(C)CCCCCCNCC=C.C=CCN.C1C(O1)CCl.[Cl-]
DB00931	[H][C@@]12[C@@H](O)[C@]3([H])C(=C)C4=C(C(O)=CC=C4)C(=O)C3=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C
DB00932	[H][C@@](CC)(C1=CC(NS(=O)(=O)C2=NC=C(C=C2)C(F)(F)F)=CC=C1)C1=C(O)C[C@@](CCC)(CCC2=CC=CC=C2)OC1=O
DB00933	CN1CCCCC1CCN1C2=C(SC3=C1C=C(C=C3)S(C)=O)C=CC=C2
DB00934	CNCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21
DB00935	CC1=CC(=C(O)C(C)=C1CC1=NCCN1)C(C)(C)C
DB00936	OC(=O)C1=CC=CC=C1O
DB00937	CCN(CC)C(C)C(=O)C1=CC=CC=C1
DB00938	OCC1=C(O)C=CC(=C1)C(O)CNCCCCCCOCCCCC1=CC=CC=C1
DB00939	CC1=C(Cl)C(NC2=CC=CC=C2C(O)=O)=C(Cl)C=C1
DB00940	CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC2=CC=CC=C12
DB00941	C[N+](C)(CCCCCC[N+](C)(C)C1C2=C(C=CC=C2)C2=C1C=CC=C2)C1C2=C(C=CC=C2)C2=C1C=CC=C2
DB00942	OC(CCN1CCCCC1)(C1CCCC1)C1=CC=CC=C1
DB00943	NC1=NC(=O)N(C=C1)[C@H]1CC[C@@H](CO)O1
DB00944	CN(CCCCCCCCCCN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C
DB00945	CC(=O)OC1=CC=CC=C1C(O)=O
DB00946	CCC(C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=CC=C2
DB00947	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@@]21[H]
DB00948	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(C1=O)S(C)(=O)=O)C1=CC=CC=C1)C(O)=O
DB00949	NC(=O)OCC(COC(N)=O)C1=CC=CC=C1
DB00950	CC(C)(C(O)=O)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1
DB00951	NNC(=O)C1=CC=NC=C1
DB00952	CNS(=O)(=O)CCC1=CC2=C(NC=C2C2CCN(C)CC2)C=C1
DB00953	CN(C)CCC1=CNC2=C1C=C(CN1C=NC=N1)C=C2
DB00954	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O
DB00955	CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O
DB00956	[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CCC2=O
DB00957	[H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CC\C(C=C3CC[C@@]21[H])=N/O
DB00959	[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C
DB00960	CC(C)NCC(O)COC1=CC=CC2=C1C=CN2
DB00961	CN1CCCCC1C(=O)NC1=C(C)C=CC=C1C
DB00962	CCN(C(C)=O)C1=CC=CC(=C1)C1=CC=NC2=C(C=NN12)C#N
DB00963	NC1=C(CC(O)=O)C=CC=C1C(=O)C1=CC=C(Br)C=C1
DB00964	NC1=CC(Cl)=C(NC2=NCCN2)C(Cl)=C1
DB00965	CCOC(=O)CCCCCCCC(I)CCC(I)CCCCCC
DB00966	CCCC1=NC2=C(C=C(C=C2C)C2=NC3=CC=CC=C3N2C)N1CC1=CC=C(C=C1)C1=CC=CC=C1C(O)=O
DB00967	ClC1=CC2=C(C=C1)C(=C1CCNCC1)C1=C(CC2)C=CC=N1
DB00968	C[C@](N)(CC1=CC=C(O)C(O)=C1)C(O)=O
DB00969	CN1C2=C(C3=CC=CC=C13)C(=O)N(CC1=C(C)NC=N1)CC2
DB00970	[H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)C1=C3N=C4C(OC3=C(C)C=C1)=C(C)C(=O)C(N)=C4C(=O)N[C@H]1[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]3([H])CCCN3C(=O)[C@H](NC1=O)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C
DB00971	S=[Se]=S
DB00972	CN1CCCC(CC1)N1N=C(CC2=CC=C(Cl)C=C2)C2=CC=CC=C2C1=O
DB00973	O[C@@H](CC[C@@H]1[C@H](N(C1=O)C1=CC=C(F)C=C1)C1=CC=C(O)C=C1)C1=CC=C(F)C=C1
DB00974	OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
DB00975	OCCN(CCO)C1=NC2=C(N=C(N=C2N2CCCCC2)N(CCO)CCO)C(=N1)N1CCCCC1
DB00976	[H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@@](C)(OC)[C@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@H](C)C(=O)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCCCN1C=NC(=C1)C1=CC=CN=C1
DB00977	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3
DB00978	CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(N3CCNC(C)C3)C(F)=C12
DB00979	CN(C)CCOC(=O)C(C1=CC=CC=C1)C1(O)CCCC1
DB00980	CCC(=O)NCC[C@@H]1CCC2=C1C1=C(OCC1)C=C2
DB00981	[H][C@]12N(C)CC[C@@]1(C)C1=C(C=CC(OC(=O)NC)=C1)N2C
DB00982	C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C\C(O)=O
DB00983	COC1=CC=C(CC(C)NCC(O)C2=CC(NC=O)=C(O)C=C2)C=C1
DB00984	[H][C@@]12CC[C@H](OC(=O)CCC3=CC=CC=C3)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]
DB00985	CN1C2=C(N=C(Cl)N2)C(=O)N(C)C1=O.CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1
DB00986	C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)C1=CC=CC=C1
DB00987	NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
DB00988	NCCC1=CC(O)=C(O)C=C1
DB00989	CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C
DB00990	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=C)C2=CC(=O)C=C[C@]12C
DB00991	OC(=O)CCC1=NC(=C(O1)C1=CC=CC=C1)C1=CC=CC=C1
DB00992	COC(=O)CCC(=O)CN
DB00993	CN1C=NC(=C1SC1=NC=NC2=C1NC=N2)[N+]([O-])=O
DB00994	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
DB00995	CCP(CC)(CC)=[Au]S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
DB00996	NCC1(CC(O)=O)CCCCC1
DB00997	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O
DB00998	CN[C@@H]1CCC2=C(C1)C1=C(N2)C=CC(=C1)C(N)=O
DB00999	NS(=O)(=O)C1=C(Cl)C=C2NCNS(=O)(=O)C2=C1
DB01000	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1(N)CCCCC1)C(O)=O
DB01001	CC(C)(C)NCC(O)C1=CC(CO)=C(O)C=C1
DB01002	CCCCN1CCCC[C@H]1C(=O)NC1=C(C)C=CC=C1C
DB01003	OC(COC1=CC=CC2=C1C(=O)C=C(O2)C(O)=O)COC1=CC=CC2=C1C(=O)C=C(O2)C(O)=O
DB01004	NC1=NC2=C(N=CN2COC(CO)CO)C(=O)N1
DB01005	NC(=O)NO
DB01006	N#CC1=CC=C(C=C1)C(N1C=NC=N1)C1=CC=C(C=C1)C#N
DB01007	ClC1=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=CS1
DB01008	CS(=O)(=O)OCCCCOS(C)(=O)=O
DB01009	CC(C(O)=O)C1=CC(=CC=C1)C(=O)C1=CC=CC=C1
DB01010	CC[N+](C)(C)C1=CC(O)=CC=C1
DB01011	CC(C)(C(=O)C1=CN=CC=C1)C1=CC=CN=C1
DB01012	C[C@@H](NCCCC1=CC(=CC=C1)C(F)(F)F)C1=CC=CC2=CC=CC=C12
DB01013	[H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
DB01014	OC(=O)CCNC(=O)C1=CC=C(C=C1)\N=N\C1=CC=C(O)C(=C1)C(O)=O
DB01015	CC1=CC(NS(=O)(=O)C2=CC=C(N)C=C2)=NO1
DB01016	COC1=C(C=C(Cl)C=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1
DB01017	[H][C@@]12CC3=C(C(O)=CC=C3N(C)C)C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2
DB01018	NC(=N)NC(=O)CC1=C(Cl)C=CC=C1Cl
DB01019	CC(C[N+](C)(C)C)OC(N)=O
DB01020	[H][C@]12OC[C@@H](O[N+]([O-])=O)[C@@]1([H])OC[C@@H]2O
DB01021	NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C(Cl)Cl
DB01022	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O
DB01023	CCOC(=O)C1=C(C)NC(C)=C(C1C1=C(Cl)C(Cl)=CC=C1)C(=O)OC
DB01024	COC1=C(C\C=C(/C)CCC(O)=O)C(O)=C2C(=O)OCC2=C1C
DB01025	CC(C)C1=CC2=C(OC3=NC(N)=C(C=C3C2=O)C(O)=O)C=C1
DB01026	CC(=O)N1CCN(CC1)C1=CC=C(OCC2COC(CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1
DB01028	COC(F)(F)C(Cl)Cl
DB01029	CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1
DB01030	CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=CC4=C(C=CC(O)=C4CN(C)C)N=C13)C2=O
DB01031	NC(=O)OC1(CCCCC1)C#C
DB01032	CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(O)=O
DB01033	S=C1N=CNC2=C1NC=N2
DB01034	[H][C@]1(O[C@]1([H])C(=O)CC\C=C\C\C=C\C)C(N)=O
DB01035	CCN(CC)CCNC(=O)C1=CC=C(N)C=C1
DB01036	CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(O)C=CC(C)=C1)C(C)C
DB01037	C[C@H](CC1=CC=CC=C1)N(C)CC#C
DB01038	CCC(=O)C1=CC=C2SC3=C(C=CC=C3)N(CCCN3CCN(CCO)CC3)C2=C1
DB01039	CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1
DB01041	O=C1N(C2CCC(=O)NC2=O)C(=O)C2=CC=CC=C12
DB01042	N[C@@H](CC1=CC=C(C=C1)N(CCCl)CCCl)C(O)=O
DB01043	CC12CC3CC(C)(C1)CC(N)(C3)C2
DB01044	COC1=C2N(C=C(C(O)=O)C(=O)C2=CC(F)=C1N1CCNC(C)C1)C1CC1
DB01045	CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(O)C(\C=N\N4CCN(C)CC4)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(O)=C2C(O)=C3C
DB01046	[H][C@@]12CC(=O)[C@H](CCCCCCC(O)=O)[C@@]1([H])CC[C@@](O)(O2)C(F)(F)CCCC
DB01047	[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@]([H])(F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)COC(C)=O
DB01048	NC1=NC2=C(N=CN2[C@@H]2C[C@H](CO)C=C2)C(NC2CC2)=N1
DB01049	CCC(C)(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CC5C(CC6=CNC7=CC=CC5=C67)N(C4)C)O
DB01050	CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
DB01051	CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](OC2=C(C)C3=C(C=C2)C(O)=C(NC(=O)C2=CC=C(O)C(CC=C(C)C)=C2)C(=O)O3)OC1(C)C
DB01053	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CC1=CC=CC=C1)C(O)=O
DB01054	CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC
DB01055	N[C@@H](CN1C=CC(=O)C(O)=C1)C(O)=O
DB01056	CC(N)C(=O)NC1=C(C)C=CC=C1C
DB01057	CCOP(=O)(OCC)SCC[N+](C)(C)C
DB01058	O=C(C1CCCCC1)N1CC2N(CCC3=CC=CC=C23)C(=O)C1
DB01059	CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCNCC1
DB01060	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O
DB01061	[H][C@](NC(=O)N1CCNC1=O)(C(=O)N[C@@H]1C(=O)N2[C@@H](C(O)=O)C(C)(C)S[C@]12[H])C1=CC=CC=C1
DB01062	CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1
DB01063	CC(=O)C1=CC=C2SC3=C(C=CC=C3)N(CCCN3CCN(CCO)CC3)C2=C1
DB01064	CC(C)NCC(O)C1=CC(O)=C(O)C=C1
DB01065	COC1=CC2=C(NC=C2CCNC(C)=O)C=C1
DB01066	[H][C@]12SCC(\C=C/C3=C(C)N=CS3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O
DB01067	CC1=NC=C(N=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1
DB01068	[O-][N+](=O)C1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2Cl)C=C1
DB01069	CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C
DB01070	CC(C)[C@@H](C)\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CC[C@@H]1C
DB01071	C(C1CN2CCC1CC2)N1C2=CC=CC=C2SC2=CC=CC=C12
DB01072	COC(=O)N[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)CN(CC1=CC=C(C=C1)C1=CC=CC=N1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C
DB01073	NC1=NC(F)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
DB01074	C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1
DB01075	CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1
DB01076	CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC(O)=O)C1=CC=C(F)C=C1)C1=CC=CC=C1
DB01077	CC(O)(P(O)(O)=O)P(O)(O)=O
DB01078	C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1
DB01079	CCCCCNC(=N)N\N=C\C1=CNC2=C1C=C(OC)C=C2
DB01080	NC(CCC(O)=O)C=C
DB01081	CCOC(=O)C1(CCN(CCC(C#N)(C2=CC=CC=C2)C2=CC=CC=C2)CC1)C1=CC=CC=C1
DB01082	CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]2NC(N)=N)O[C@@H](C)[C@]1(O)C=O
DB01083	CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
DB01084	CCOCCN1C(=NC2=CC=CC=C12)N1CCCN(C)CC1
DB01085	CC[C@H]1[C@@H](CC2=CN=CN2C)COC1=O
DB01086	CCOC(=O)C1=CC=C(N)C=C1
DB01087	COC1=CC(NC(C)CCCN)=C2N=CC=CC2=C1
DB01088	[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O
DB01089	[H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=CC=CC=C31)C2
DB01090	C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1
DB01091	CN(CC1=CC=C(C=C1)C(C)(C)C)CC1=CC=CC2=CC=CC=C12
DB01092	[H][C@@]12CC[C@]3(O)C[C@H](C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@H](CC[C@]21O)C1=CC(=O)OC1)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
DB01093	CS(C)=O
DB01094	COC1=C(O)C=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1
DB01095	CC(C)N1C(\C=C\[C@H](O)C[C@H](O)CC(O)=O)=C(C2=CC=C(F)C=C2)C2=CC=CC=C12
DB01096	CC(C)NCC1CCC2=CC(CO)=C(C=C2N1)[N+]([O-])=O
DB01097	CC1=C(C=NO1)C(=O)NC1=CC=C(C=C1)C(F)(F)F
DB01098	CC(C)C1=NC(=NC(C2=CC=C(F)C=C2)=C1\C=C\[C@@H](O)C[C@@H](O)CC(=O)O)N(C)S(C)(=O)=O
DB01099	NC1=C(F)C=NC(=O)N1
DB01100	FC1=CC=C(C=C1)C(CCCN1CCC(CC1)N1C(=O)NC2=CC=CC=C12)C1=CC=C(F)C=C1
DB01101	CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O
DB01102	O[C@@H](CNCCCCC1=CC=C(O)C=C1)C1=CC(O)=C(O)C=C1
DB01103	CCN(CC)CCCC(C)NC1=C2C=C(OC)C=CC2=NC2=C1C=CC(Cl)=C2
DB01104	CN[C@H]1CC[C@@H](C2=CC(Cl)=C(Cl)C=C2)C2=CC=CC=C12
DB01105	CC(C)CC(N(C)C)C1(CCC1)C1=CC=C(Cl)C=C1
DB01106	C[C@@H]1CN(CC[C@]1(C(O)=O)C1=CC=CC=C1)[C@H]1CC[C@](CC1)(C#N)C1=CC=C(F)C=C1
DB01107	CCC1(CC)C(=O)NCC(C)C1=O
DB01108	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]23O[C@@H]2C(O)=C(C[C@]13C)C#N
DB01109	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
DB01110	ClC1=CC(Cl)=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1
DB01111	CCC(C)CCCCC(=O)NC(CCNCS([O-])(=O)=O)C(=O)NC(C(C)O)C(=O)NC(CCNCS([O-])(=O)=O)C(=O)NC1CCNC(=O)C(NC(=O)C(CCNCS([O-])(=O)=O)NC(=O)C(CCNCS([O-])(=O)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCNCS([O-])(=O)=O)NC1=O)C(C)O
DB01112	[H][C@]12SCC(COC(N)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CC=CO1)C(O)=O
DB01113	COC1=C(OC)C=C(CC2=NC=CC3=CC(OC)=C(OC)C=C23)C=C1
DB01114	CN(C)CCC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1
DB01115	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OC
DB01116	O=C1N(CC2=CC=CC=C2)C2C[S+]3CCCC3C2N1CC1=CC=CC=C1
DB01117	OC1=C([C@H]2CC[C@@H](CC2)C2=CC=C(Cl)C=C2)C(=O)C2=CC=CC=C2C1=O
DB01118	CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2
DB01119	CC1=NS(=O)(=O)C2=C(N1)C=CC(Cl)=C2
DB01120	CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CC2CCCC2C1
DB01121	NC(=O)NC(=O)CC1=CC=CC=C1
DB01122	CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC1=CC=CC=C1Cl
DB01123	NC1=CC2=NC3=C(C=CC(N)=C3)C=C2C=C1
DB01124	CCCCNC(=O)NS(=O)(=O)C1=CC=C(C)C=C1
DB01125	COC1=CC=C(C=C1)C1C(=O)C2=CC=CC=C2C1=O
DB01126	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])NC(=O)C=C[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)NC1=CC(=CC=C1C(F)(F)F)C(F)(F)F
DB01127	ClC1=CC=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1
DB01128	CC(O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F
DB01129	COCCCOC1=C(C)C(CS(=O)C2=NC3=CC=CC=C3N2)=NC=C1
DB01130	[H][C@@]12CC[C@](OC(=O)OCC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
DB01131	CC(C)NC(=N)NC(=N)NC1=CC=C(Cl)C=C1
DB01132	CCC1=CN=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1
DB01133	OP(O)(=O)C(SC1=CC=C(Cl)C=C1)P(O)(O)=O
DB01134	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)COC(=O)C(C)(C)C
DB01135	COC1=CC(CC2C3=C(OC)C(OC)=C(OC)C=C3CC[N+]2(C)CCCOC(=O)CCC(=O)OCCC[N+]2(C)CCC3=CC(OC)=C(OC)C(OC)=C3C2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC
DB01136	COC1=CC=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2
DB01137	C[C@H]1COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCN(C)CC1
DB01138	O=C1C(CCS(=O)C2=CC=CC=C2)C(=O)N(N1C1=CC=CC=C1)C1=CC=CC=C1
DB01139	[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CSC1=CC=NC=C1)C(O)=O
DB01140	[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O
DB01141	CCCCCOC1=CC=C(C=C1)C1=CC(=NO1)C1=CC=C(C=C1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)C1=CC(OS(O)(=O)=O)=C(O)C=C1)[C@H](O)CC(N)=O
DB01142	[H]C(CCN(C)C)=C1C2=CC=CC=C2COC2=CC=CC=C12
DB01143	NCCCNCCSP(O)(O)=O
DB01144	NS(=O)(=O)C1=CC(=C(Cl)C(Cl)=C1)S(N)(=O)=O
DB01145	OS(=O)CNC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(NCS(O)=O)C=C1
DB01146	CN1CCC(CC1)OC(C1=CC=CC=C1)C1=CC=CC=C1
DB01147	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=CC=CC=C1Cl)C(O)=O
DB01148	CC1=C(OC2=C(C=CC=C2C(=O)OCCN2CCCCC2)C1=O)C1=CC=CC=C1
DB01149	CCC1=NN(CCCN2CCN(CC2)C2=CC(Cl)=CC=C2)C(=O)N1CCOC1=CC=CC=C1
DB01150	[H][C@]12SCC(C=CC)=C(N1C(=O)[C@@]2([H])NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O
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DB01297	CC(C)NCC(O)COC1=CC=C(NC(C)=O)C=C1
DB01298	CCN1C=CC(NS(=O)(=O)C2=CC=C(N)C=C2)=NC1=O
DB01299	COC1=NC=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1OC
DB01301	[H][C@@]12C[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCN1CCCC1)=C(O)[C@H]2N(C)C
DB01303	C[N+](C)(C)CCO.CN1C2=C([N-]C=N2)C(=O)N(C)C1=O
DB01319	CC(C)CN(C[C@@H](OP(O)(O)=O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)C1=CC=C(N)C=C1
DB01320	OP(O)(=O)OCN1C(=O)NC(C1=O)(C1=CC=CC=C1)C1=CC=CC=C1
DB01321	CO[C@H]1[C@@H](CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O2)[C@@H]([C@H]1O)N(C)C)OC(C)=O
DB01323	CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)C)O)O)O
DB01324	CN1C(CSCC(F)(F)F)NC2=CC(Cl)=C(C=C2S1(=O)=O)S(N)(=O)=O
DB01325	CCC1NC(=O)C2=CC(=C(Cl)C=C2N1)S(N)(=O)=O
DB01326	[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)C1=CC=CC=C1)C(O)=O
DB01327	[H][C@]12SCC(CSC3=NN=C(C)S3)=C(N1C(=O)[C@H]2NC(=O)CN1C=NN=N1)C(O)=O
DB01328	[H][C@]12SCC(CSC3=NN=NN3CS(O)(=O)=O)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)C1=CC=CC=C1)C(O)=O
DB01329	[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@@]2([H])NC(=O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)C1=CC=C(O)C=C1)C(O)=O
DB01330	[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)C1SC(S1)=C(C(N)=O)C(O)=O)OC)C(O)=O
DB01331	[H][C@]12SCC(COC(N)=O)=C(N1C(=O)[C@]2(NC(=O)CC1=CC=CS1)OC)C(O)=O
DB01332	[H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O
DB01333	[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CCC=CC1)C(O)=O
DB01336	[H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CC[N+]1(C)C)C2=C6)=C(OC)C=C5)=CC(OC)=C4OC)C=C3
DB01337	[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1
DB01338	[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CC[N+](C)(C)CC1)N1CC[N+](C)(C)CC1
DB01339	[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CCCCC1)[N+]1(C)CCCCC1
DB01340	CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CCCN2CCC[C@H](N2C1=O)C(O)=O
DB01342	CCCCC1=NN(CC2=CN=C(C=C2)C2=CC=CC=C2C2=NNN=N2)C(CCCC)=N1
DB01344	C=CC1=CC=C(C=C1)S(=O)(=O)O
DB01345	[K+]
DB01346	CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1.COC1=CC2=C(C=CN=C2C=C1)C(O)C1CC2CCN1CC2C=C
DB01347	CCC1=NC(C2CC2)=C(N1CC1=CC2=C(OC(=C2Br)C2=CC=CC=C2NS(=O)(=O)C(F)(F)F)C=C1)C(N)=O
DB01348	CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2
DB01349	CC1=NC(C)=C2CCC(=O)N(CC3=CC=C(C=C3)C3=CC=CC=C3C3=NNN=N3)C2=N1
DB01351	CCC1(CCC(C)C)C(=O)NC(=O)NC1=O
DB01352	CC(C)C1(CC=C)C(=O)NC(=O)NC1=O
DB01353	CCCCC1(CC)C(=O)NC(=O)NC1=O
DB01354	CCC1(C(=O)NC(=O)NC1=O)C1=CCCCCC1
DB01355	CN1C(=O)NC(=O)C(C)(C1=O)C1=CCCCC1
DB01356	[Li+]
DB01357	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C=C3
DB01359	CC(C)(C)NC[C@H](O)COC1=CC=CC=C1C1CCCC1
DB01362	CC(=O)N(CC(O)CO)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I
DB01364	CN[C@@H](C)[C@H](O)C1=CC=CC=C1
DB01365	CNC(C)(C)CC1=CC=CC=C1
DB01366	CC[C@H](NC(C)C)[C@H](O)C1=C2C=CC(=O)NC2=C(O)C=C1
DB01367	C#CCN[C@@H]1CCC2=CC=CC=C12
DB01369	[H][C@@]12CCCN1C(=O)[C@@H](CC)NC(=O)[C@@H](NC(=O)C1=NC=CC=C1O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@]1([H])CC(=O)[C@]([H])(CS[C@@H]3CN4CCC3CC4)CN1C(=O)[C@H](CC1=CC=C(C=C1)N(C)C)N(C)C2=O)C1=CC=CC=C1
DB01370	[Al]
DB01373	[Ca]
DB01375	CCCCCCCCCCCCCCCCCC(=O)O[Al](O)O
DB01377	[O--].[Mg++]
DB01378	[Mg++]
DB01380	[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
DB01382	COCCOC1=CN=C(NS(=O)(=O)C2=CC=CC=C2)N=C1
DB01384	[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C
DB01388	COCC(=O)O[C@]1(CCN(C)CCCC2=NC3=CC=CC=C3N2)CCC2=C(C=CC(F)=C2)[C@@H]1C(C)C
DB01390	[Na+].OC([O-])=O
DB01392	[H][C@@]12CC[C@H](O)[C@H](C(=O)OC)[C@@]1([H])C[C@]1([H])N(CCC3=C1NC1=CC=CC=C31)C2
DB01393	CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O
DB01394	COC1=CC2=C(C(OC)=C1OC)C1=CC=C(OC)C(=O)C=C1C(CC2)NC(C)=O
DB01395	[H][C@@]12C[C@]1([H])[C@@]1([H])[C@]3([H])[C@]4([H])C[C@]4([H])[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@]1([H])[C@@]1(C)CCC(=O)C=C21
DB01396	[H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)C1=CC(=O)OC1
DB01397	[Mg++].OC1=CC=CC=C1C([O-])=O.OC1=CC=CC=C1C([O-])=O
DB01399	OC(=O)C1=CC=CC=C1OC(=O)C1=CC=CC=C1O
DB01400	CN(C)C(=O)OC1=CC(=CC=C1)[N+](C)(C)C
DB01401	[Mg++].C[N+](C)(C)CCO.OC1=CC=CC=C1C([O-])=O.OC1=CC=CC=C1C([O-])=O.OC1=CC=CC=C1C([O-])=O
DB01403	COC1=CC2=C(SC3=C(C=CC=C3)N2C[C@H](C)CN(C)C)C=C1
DB01404	CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)O)O)C)C)C2C1)CO)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C
DB01405	CC1CN(CCN1)C1=C(F)C=C2C(=O)C(=CN(C2=C1)C1=C(F)C=C(F)C=C1)C(O)=O
DB01406	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC3=C(C[C@]12C)C=NO3
DB01407	CC(C)(C)NCC(O)C1=CC(Cl)=C(N)C(Cl)=C1
DB01408	CN(C)C(=O)OC1=CC(=CC(OC(=O)N(C)C)=C1)C(O)CNC(C)(C)C
DB01409	[H][C@]12O[C@@]1([H])[C@]1([H])C[C@@]([H])(C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(C1=CC=CS1)C1=CC=CS1
DB01410	[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(O[C@@H](O2)C1CCCCC1)C(=O)COC(=O)C(C)C
DB01411	O=C(NC1=C2OC(=CC(=O)C2=CC=C1)C1=NNN=N1)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1
DB01412	CN1C=NC2=C1C(=O)NC(=O)N2C
DB01413	CO\N=C(/C(=O)N[C@@H]1C(=O)N2[C@]1([H])SCC(C[N+]1(C)CCCC1)=C2C([O-])=O)C1=CSC(N)=N1
DB01414	[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CC#N)C(O)=O
DB01415	[H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=C/CC(O)=O)\C1=CSC(N)=N1)C(O)=O
DB01416	[H][C@]12SCC(COC)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O
DB01418	CC(=O)CC(C1=CC=C(C=C1)[N+]([O-])=O)C1=C(O)C2=CC=CC=C2OC1=O
DB01419	FC(F)(F)C1=CC(=CC=C1)N1CCN(CCOC(=O)C2=CC=CC=C2NC2=C3C=CC(=CC3=NC=C2)C(F)(F)F)CC1
DB01420	[H][C@@]12CC[C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
DB01421	NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
DB01422	OC1=C2N=CC=CC2=C(C=C1)[N+]([O-])=O
DB01423	CC(SC(=O)C1=CC=CS1)C(=O)NCC(O)=O
DB01424	CN(C)C1=C(C)N(C)N(C1=O)C1=CC=CC=C1
DB01425	COC1=CC2=NNN=C2C=C1C(=O)NCC1CCCN1CC=C
DB01426	CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)C5=CC=CC=C5[C@]44C[C@@H](C2[C@H]4O)N3[C@@H]1O
DB01427	NC1=CC(=CNC1=O)C1=CC=NC=C1
DB01428	COC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1
DB01429	CCN(CC)CCCN(C1CC2=CC=CC=C2C1)C1=CC=CC=C1
DB01430	FC1=CC=C(C=C1)C(N1CCN(CC1)C1=NC(NCC=C)=NC(NCC=C)=N1)C1=CC=C(F)C=C1
DB01431	[H][C@@]12CC[C@@](O)(CC=C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H]
DB01432	CCC1=CC=C(C=C1)C(C)CCC2=CC=C(C=C2)[N+](C)(C)C
DB01433	CCC(OC(C)=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1
DB01434	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]
DB01435	CN1N(C(=O)C=C1C)C1=CC=CC=C1
DB01436	CC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
DB01437	CCC1(CCC(=O)NC1=O)C1=CC=CC=C1
DB01438	NC1=NC(N)=C(C=C1)\N=N\C1=CC=CC=C1
DB01439	CCC(=O)N(C1CCN(CCC2=CC=CS2)CC1C)C1=CC=CC=C1
DB01440	OCCCC(O)=O
DB01442	COC1=CC(CC(C)N)=CC2=C1OCO2
DB01444	CC(C=C(C1=CC=CS1)C1=CC=CS1)N(C)C
DB01445	CN(C)CCC1=CNC2=C1C=C(O)C=C2
DB01450	[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]11CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)CCC
DB01452	[H][C@@]12C=C[C@H](OC(C)=O)[C@@H]3OC4=C(OC(C)=O)C=CC5=C4[C@]13CCN(C)[C@@H]2C5
DB01454	CNC(C)CC1=CC2=C(OCO2)C=C1
DB01456	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CC(=O)CC[C@]12C
DB01459	CCC(=O)N1C(=O)N(C2CCN(CCC(C#N)(C3=CC=CC=C3)C3=CC=CC=C3)CC2)C2=CC=CC=C12
DB01463	CCNC1C2CCC(C2)C1C1=CC=CC=C1
DB01466	[H][C@@]12OC3=C(OCC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O
DB01467	CCC1=CC(OC)=C(CC(C)N)C=C1OC
DB01471	[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](C)CC2=CC(=O)CC[C@]12C
DB01472	COC1=CC=C(CC(C)N)C=C1
DB01481	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)C=C[C@]12C
DB01482	CC(CC1=CC=CC=C1)NCCN1C=NC2=C1C(=O)N(C)C(=O)N2C
DB01483	CCC1(CC)C(=O)NC(=O)NC1=O
DB01484	COC1=CC(Br)=C(OC)C=C1CC(C)N
DB01485	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(O)C(=O)CC[C@]12C
DB01486	C[C@H](N)[C@@H](O)C1=CC=CC=C1
DB01488	CN(C)CCC1=CNC2=CC=CC=C12
DB01489	CN(C)C(=O)OC1N=C(C2=CC=CC=C2)C2=C(C=CC(Cl)=C2)N(C)C1=O
DB01493	[H][C@@]12CC[C@@](O)(CC)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H]
DB01495	OC(O)C(Cl)(Cl)Cl.OC(O)C(Cl)(Cl)Cl.CN1N(C(=O)C=C1C)C1=CC=CC=C1
DB01496	FC(F)(F)C1=CC=CC=C1C1=CC=C(CC2C(=O)NC(=S)NC2=O)O1
DB01497	[H][C@]12CC3=C4C(OC5[C@@]4(CCN1C)[C@]21CC(C(C)(O)CCC)C5(OC)C=C1)=C(O)C=C3
DB01501	OC(=O)C1(CCN(CCC(C#N)(C2=CC=CC=C2)C2=CC=CC=C2)CC1)C1=CC=CC=C1
DB01509	CC(N)CC1=CC2=C(OCO2)C=C1
DB01510	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CCC4=C(C(=O)C=C[C@]34C)Cl
DB01511	ClC1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2Cl)C=C1
DB01520	C1CCN(CC1)C1(CCCCC1)C1=CC=CS1
DB01521	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(Cl)C(=O)CC[C@]12C
DB01524	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C
DB01525	[H][C@]12CC[C@]([H])([C@H]([C@@H](O)C1)C(O)=O)N2C
DB01529	C[C@H](CN1CCOCC1)C(C(=O)N1CCCC1)(C1=CC=CC=C1)C1=CC=CC=C1
DB01531	[H][C@@]12CCC[C@@]3([H])[C@@]4([H])CC5=CC=C(O)C(O1)=C5[C@@]23CCN4C
DB01534	CC(CC(C)(C)O)OC(O)C(Cl)(Cl)Cl
DB01535	CCC(=O)N(C1=CC=CC=C1)C1(CCN(CCC2=CC=CC=C2)CC1)C(=O)OC
DB01536	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
DB01537	COC1=CC(Br)=C(OC)C=C1CCN
DB01538	[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CC[C@@H]2OC(C)=O
DB01541	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
DB01543	CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O
DB01544	CN1C2=C(C=C(C=C2)[N+]([O-])=O)C(=NCC1=O)C1=CC=CC=C1F
DB01545	CCOC(=O)C1N=C(C2=CC=CC=C2F)C2=C(NC1=O)C=CC(Cl)=C2
DB01547	[H][C@]12CC3=C(C(OC)=C(OC)C=C3)[C@@]3(CCN1C)C[C@H](O)CC[C@@]23O
DB01548	[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC3CC3)[C@]([H])(C4)[C@]11CC[C@@]2(OC)[C@H](C1)C(C)(C)O
DB01549	C1CCN(C1)C1(CCCCC1)C1=CC=CC=C1
DB01550	CC(CC1=CC=CC=C1)NCCC#N
DB01551	[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CC[C@@H]2O
DB01553	ClC1=CC2=C(NC(=O)CN3CCOC23C2=CC=CC=C2Cl)C=C1
DB01554	C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@H]34)[C@@H]1CC[C@@H]2O
DB01555	CC[C@@H](OC(C)=O)C(C[C@@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1
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DB01778	CN1C2=C(NC(=N)N2)C(=O)N(C)C1=O
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DB01786	C[C@@H](N)C(O)=O
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DB01795	OB(O)C1=CC=CC=C1
DB01796	OC(=O)C1=CC=CN=C1C(O)=O
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DB01800	OC1=CC=C(C=C1OS(O)(=O)=O)[N+]([O-])=O
DB01803	C[N+](C)(C)CCS
DB01804	[NH3+][C@H](C=C)C([O-])=O
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DB01811	OC1=C(O)C=C2C=CNC2=C1
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DB01817	[H][C@](N)(C[C@]([H])(O)O[C@]([H])(C)[C@]([H])(N)C(O)=O)C(O)=O
DB01818	[H][C@@]1(O)O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(OS(O)(=O)=O)[C@@]1([H])O
DB01819	OC(=O)C(=C)OP(O)(O)=O
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DB01821	NCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O)C(N)=O
DB01822	O[C@H]1CSSC[C@@H]1O
DB01823	OC[C@H]1O[C@]2(NC(=O)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O
DB01824	[H]N([H])[C@@]([H])(O)O[C@]1([H])CC2=CC=CC=C2[C@]1([H])[C@]1([H])CN([H])[C@@](CC2=CC=CC=C2)(CC([H])(O)C([H])(CC2=CC=CC=C2)N([H])C(=O)O[C@@]2([H])CCOC2)C1=O
DB01825	CC1=CC=CC2=C1NC(N)=NC2=O
DB01826	CCCC[N+]#[C-]
DB01827	COC1=C(F)C(F)=C(C(N)=O)C(F)=C1F
DB01828	CN
DB01829	CCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N
DB01830	CC(=O)N[C@@H](CC1=CC=C(C(=C1)P(O)(O)=O)P(O)(O)=O)C(=O)N[C@H]1CCCCC2=CC(OCC3CCCCC3)=C(C=C12)C(N)=O
DB01831	N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12
DB01832	C[P@@](O)(=O)CC(=O)CC(O)=O
DB01833	N[C@@H](CCONC(N)=N)C(O)=O
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DB01835	[H]N([H])[C@@H](C[C@@H](F)CC\N=C(/C)N([H])[H])C(O)=O
DB01836	ClC1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCN(CC1)C1=CC=NC=C1
DB01837	CC(=O)OC[C@H](N)C(O)=O
DB01838	CC1=C(OC2=CC=C(O)C=C2C1=O)C1=CC(Br)=C(O)C(Br)=C1
DB01839	CC(O)CO
DB01840	OCC[C@@H](O)[C@H](O)[C@H](O)\C=C\P(O)(O)=O
DB01841	[H][C@@]1(C)C[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(O)O1
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DB01843	[H]N([H])N1C(=O)N([H])[C@@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O
DB01844	CN(C)C=O
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DB01847	CC(C)[C@@H](NC(N)=O)C(O)=O
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DB01854	NC(=O)C1=CN=CC(Br)=C1
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DB01858	[H][C@@](CCCC)(NC(=O)OCC1(CC2=CC=C(F)C=C2)CCC1)C(=O)C(=O)NC1=CC=NN1
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DB01864	NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=S)[C@@H](O)[C@H]2O)C(=O)N1
DB01865	CN(CC1=CC2=C(C=CC=C2)N1C)C(=O)\C=C\C1=CN=C(N)C=C1
DB01866	[H][C@](C(O)=O)(C1=CC=CC=C1)S(O)(=O)=O
DB01868	[H][C@](C)(N=C([O-])CCCC[C@]([H])(N=C(O)CN)C(O)=O)P(O)(O)=O
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DB01875	O=C1NC2=C(NN=N2)C(=O)N1
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DB01910	[H][C@](N)(CC[C@]([H])(N)C(O)=O)C[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O
DB01911	CCC1=C(C)C2=CC3=C(CC)C(C)=C(C=C4N=C(C=C5N\C(=C/C1=N2)C(C)=C5CCC(O)=O)C(CCC(O)=O)=C4C)N3C
DB01912	[Cl-].[Pt++].C1=CC=C(N=C1)C1=CC=CC(=N1)C1=CC=CC=N1
DB01914	[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C=O
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DB01919	CCCCC=O
DB01920	[H][C@]1(CO)O[C@@]([H])(OC2=CC=CC=C2N(=O)=O)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O
DB01921	[H]N(O)C1=NC[C@@H](O)[C@H](O)[C@H]1O
DB01922	[H][C@]1(CO)O[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@]([H])(O[C@]3([H])[C@@]([H])(CO)N=C(NO)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O
DB01923	[H][C@](O)(COP(O)(O)=O)[C@@]([H])(O)C(=O)CO
DB01925	OC1=CC=CC(=C1O)C1=C(Cl)C=CC=C1
DB01926	C[C@H]1C[C@H](O)N[C@@H]2CCCCN(O[Fe@@]34O[C@@H](\C=C\CCCCCCC(O)=O)[N@](CCCC[C@H](NC(=O)[C@H]5COC(=N5)C5=CC=CC=C5O3)C(=O)O1)O4)C2=O
DB01927	CC1=C(C)C(=O)C(C)=C(C)C1=O
DB01930	CC(C)(CO)[C@@H](O)C([O-])=O
DB01931	OC(=O)C1=CC(O)=C2C(Cl)=CC(Cl)=CC2=N1
DB01932	CC1=CNC=C1
DB01933	[H][C@]12C[C@@H](NC)[C@@H](OC)[C@](C)(O1)N1C3=C(C=CC=C3)C3=C4[C@@H](O)NC(=O)C4=C4C5=C(C=CC=C5)N2C4=C13
DB01934	CC(C)CCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@H](C)C(=O)NCC(=O)N(C)[C@H]1C2=CC(=C(O)C=C2)C2=CC(C[C@H](NC(=O)[C@H](C)NC1=O)C(O)=O)=CC=C2O
DB01935	[H][C@](CS)(CC1=CC=CC=C1)NC(=O)CC(O)=O
DB01936	OC[C@H]1O[C@H](O)[C@@H](O)[C@@H]1O
DB01937	NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OP(O)(O)=O)C(=O)N1
DB01938	[H][C@@](N)(CC1=CN=CN1)C(=O)NC1=CC=C2C=CC=CC2=C1
DB01939	NC(=[NH2+])C1=CC2=C(C=C1)N=CN2
DB01940	[H][C@]1(CNCCC[C@@]1([H])OC(=O)C1=CC=C(C=C1)C(=O)C1=CC=CC=C1O)NC(=O)C1=CC=C(O)C=C1
DB01941	CC1=CC2=C(C=C1C1(CC1)C1=CC=C(C=N1)C(O)=O)C(C)(C)CCC2(C)C
DB01942	OC=O
DB01944	CC1=CC=C2N=C3N(CC[C@@]3(O)C(=O)C2=C1)C1=CC=CC=C1
DB01946	CN1C=C(C2=CC=CC=C12)C1=C(C(=O)NC1=O)C1=CN(CCCN)C2=C1C=CC=C2
DB01947	OP(O)(=O)OC1=C(C=O)C=CC=C1
DB01948	FC1=CC=C(C(F)=C1)C1=CC(=CC2=C1CCC(=O)N2C1=C(Cl)C=CC=C1Cl)C1CCNCC1
DB01949	CNC(=O)[C@@H](N)C(C)(C)C
DB01950	COC1=CC=C(CNC(=O)NC2=NC=C(S2)[N+]([O-])=O)C=C1
DB01951	[H][C@]1(CCCN1C(=O)C(=O)C(C)(C)CC)C(=O)OCCCC1=CN=CC=C1
DB01952	N1C=NC2=C1N=CN1C=CN=C21
DB01953	C(CC1=CC=NC=C1)C1=CNC2=CC=CC=C12
DB01954	COC1=C(OC2CCCC2)C=C(C=C1)C1CNC(=O)C1
DB01955	OCCCCO
DB01956	NCCS(O)(=O)=O
DB01957	OC1=CC=CC(Cl)=C1
DB01958	CC(C)(C)C1=CC=C(SC2=CC=CC3=C2C(N)=NC(N)=N3)C=C1
DB01959	CCOC(=O)C1=C(C)N(N=C1C)C1=CC(=CC=C1)[N+]([O-])=O
DB01960	CN1CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C2=C1C(=O)NC(N)=N2
DB01961	NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]1O
DB01962	N[C@@H](CC1=CC=C(OP(O)(O)=O)C=C1)C(O)=O
DB01963	OB(O)CCC1=CC=CC=C1
DB01964	[H][C@]1(O)CN(C2=CC=C(OC)C=C2)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O
DB01965	[H]N(P(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)N1C=CC(=O)N([H])C1=O)P(O)(=O)OP(O)(O)=O
DB01966	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC
DB01967	[H][C@@]12CCCC[N@]1CC(=O)C1=C2N(CCCNS(=O)(=O)C(C)C)C2=C1C=CC=C2
DB01968	[H]\C(N)=C(/[H])S
DB01969	[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSCC(=O)C(F)(F)F)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1
DB01970	[H][C@](O)(CO)[C@]([H])(O)[C@]([H])(O)[C@]([H])(O)CN(CCO)C(=O)CCCCCCCC
DB01971	OC(=O)\C=C\C1=CNC=N1
DB01972	NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1
DB01973	N[C@@H](COS(=O)(=O)CC1=CC=CC=C1)C(O)=O
DB01975	[H][C@]1(O)O[C@]([H])(COP(O)(=O)CP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)[C@@]([H])(O)[C@@]1([H])O
DB01977	NC(=N)C1=CC=C2C=C(C=CC2=C1)C(=O)NC1=CC=CC=C1
DB01978	[H][C@@]1(N)NC2=C([N+](C)=CN2C)[C@]([H])(O)N1
DB01979	CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
DB01980	[H][C@@](N)(CC1=CC=C(I)C=C1)C(=O)NO
DB01981	[H][C@]1(O)[C@@]2([H])CO[C@]1([H])[C@@]([H])(OS(O)(=O)=O)[C@@]([H])(O)O2
DB01982	[H][C@]1(O)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@]1([H])O
DB01983	N[C@@H](CCCC[B-](O)(O)O)C(O)=O
DB01985	CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
DB01986	CC1=C(N)C=CC=C1F
DB01987	CC1=C(CCO[P@](O)(=O)O[P@](O)([O-])=O)SC=[N+]1CC1=CN=C(C)N=C1N
DB01988	C([C@H]1CN(CCN1)C1=NN=C(C2=CC3=CC=CC=C3C=C2)C(=C1)C1=CC=NC=C1)C1=CC=CC=C1
DB01989	[H]N([C@@H](CCCC[N+]([H])([H])[H])C(=O)N([H])[C@@H](CC1=CC=CC=C1)P(O)(=O)N([H])[C@@H](C)C(=O)N1CCC[C@H]1C(=O)OC)C(=O)[C@@H]1CCCN1C(=O)OCC1=CC=CC=C1
DB01990	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)[C@H](C)CCCC(C)C
DB01991	[H]N(O)C(=O)C[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1OC(=O)CCCCCCCCCCCCC
DB01992	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCS
DB01993	C[C@@H](NCC1=C(O)C(C)=NC=C1COP(O)(O)=O)C(O)=O
DB01996	CC1=CC=CN=C1
DB01997	BrC1=NNC2=C1C=CC=C2N(=O)=O
DB01998	[H][C@@](O)(CCCCCCC)C[C@@]1([H])O[C@@](CO)(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@@]([H])(O)[C@]1([H])O
DB02001	NC1=NC2=C(C(N)=N1)C(SC1=CC=C(C=C1)N1CCOCC1)=CC=C2
DB02004	COC1=CC(=CC(OC)=C1)C1=NC(=C(CN)C(N)=N1)C1=CC=C(Cl)C=C1Cl
DB02005	[H]\C(C)=C(/[H])C(=O)C(O)=O
DB02007	O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O
DB02008	CCCCN1C2=C(NC(CC3=CC=C(NC(C)=O)C=C3)=N2)C(=O)N(CC2=CC=CC=C2F)C1=O
DB02009	CC(C)(C)NC(=O)[C@@H]1CN(CC2=CC3=C(O2)C=CC=C3)CCN1C[C@@H](O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=CC=CC=C12
DB02010	[H][C@]1(C[C@@]2([H])O[C@](C)(N3C4=CC=CC=C4C4=C5CNC(=O)C5=C5C6=CC=CC=C6N2C5=C34)[C@]1([H])OC)NC
DB02011	N[C@@H](CCCNC(=O)CP(O)(O)=O)C(O)=O
DB02014	COC(=O)C1=C(O)C=CC=C1OC\C=C\C1=CC(C2=CC(=NO2)C(O)=O)=C(F)C=C1
DB02015	NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1
DB02016	CN(CCCCCCOC1=CC=C(C(=O)C2=CC=C(Br)C=C2)C(F)=C1)CC=C
DB02017	[H][C@]1(CO)O[C@@]([H])(O[C@]2([H])[C@@]([H])(CO)N3C=CN=C3[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O
DB02018	NC(=N)C1=CC=C(CC(=O)C(O)=O)C=C1
DB02019	OC(=O)CC1=C(O)C2=C(CC3=C(C(O)=CC=C3)C2=O)C=C1
DB02020	OC(=O)CN1C(=O)C2=CC=CC3=CC=CC(C1=O)=C23
DB02021	NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)C2=C(O1)C=CC(F)=C2
DB02022	CC1=NC=C(CO)C(N)=N1
DB02023	NC1=NC2=C(NC(=O)N2[C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)N1
DB02024	OC(=O)CCC1=CC=CC=C1
DB02026	[H][C@@](CCC(O)=O)(NC(=O)C1=CC=C(C=C1)N(C)CC1=COC2=NC(N)=NC(N)=C12)C(O)=O
DB02027	NCCNC[C@@H](N)CCCNC(=N)N[N+]([O-])=O
DB02028	OCC(=O)COP(O)(=O)OC1[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O
DB02029	IC1=CC=C(NC(=O)NC2CCCCC2)C=C1
DB02030	CC1=CC2=C(C=C1C)N(C=N2)[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
DB02031	NC1=NC2=C(N[C@@H](CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1
DB02032	[H][C@](C)(CS)C(=O)N1CCC[C@@]1([H])C(O)=O
DB02033	OC1=C([C@@H](C2CC2)C2=CC=CC(NS(=O)(=O)C3=CC=CC=C3)=C2)C(=O)OC2=C1CCCCCC2
DB02034	[H][C@@]1(O)CN2CCC[C@@]([H])(O)[C@]2([H])[C@]1([H])O
DB02035	CCCCCCCCCCCCCCCCS(F)(=O)=O
DB02036	[H][C@]1(CC(=O)NO)SC2=CC=CC=C2NC1=O
DB02038	CC1=NC=C(COP(O)(O)=O)C(CN[C@@H]2CONC2=O)=C1O
DB02039	[H][C@](N)(CSC(C)=O)C(O)=O
DB02041	NC1=CC=C2C(=O)NNC(=O)C2=C1
DB02042	COCCOCCOCCOCCOCCO
DB02043	CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(O)CO)OC(=O)CCCCCCCCCCCCCCC
DB02044	CC(=N)NCC1=CC(CN)=CC=C1
DB02045	CCCCCN
DB02046	[H][C@@](CC(C)C)(NC(=O)C1=CC=CO1)C(=O)N[C@@]([H])(CC1=CNC2=C1C=CC=C2)P(O)(O)=O
DB02047	[H][C@@](C)(C(O)=O)C1=CC=C(C=C1)C1=CC=CC=C1
DB02048	NC(=[NH2+])N1C=NC=N1
DB02049	ONC(=O)CC1(CCOCC1)S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1
DB02051	[H]N([C@@H](CC1=CC=CC=C1)C(=O)N([H])[C@@H](CCC1=CC=CC=C1)CCS(=O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O)C(=O)OCC1=CC=CC=C1
DB02052	O\N=C1\C(\NC2=C\1C=CC=C2)=C1\C(=O)NC2=C1C=CC=C2
DB02053	[H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)[C@@]([H])(O)C=O
DB02054	NC1=CC=CC(=C1)C(O)=O
DB02056	[H][C@](O)(CCCCC)\C=C\[C@@]1([H])C(=O)C[C@]([H])(O)[C@]1([H])C\C=C/CCCC(O)=O
DB02057	CC1=C(C[C@H](N)C(O)=O)C(O)=NO1
DB02058	[H]N1C(=O)C(CC2=CC=C(C=C2)N2CCN(CC2)C=O)C2=CC=CC=C12
DB02059	NC1=C2N=CN([C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1
DB02060	O=C1CCCCC1
DB02061	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
DB02062	[H][C@@](C)(N)[P@](O)(=O)C[C@@]([H])(CC1=CC=C(C=C1)C1=CC=CC=C1)C(=O)N[C@@]([H])(C)C(O)=O
DB02063	[H][C@](CC([O-])=O)(C(O)=O)C1=CC(C2=NC3=C(N2)C=C(C=C3)C(N)=N)=C([O-])C(Br)=C1
DB02065	[H][C@@]1(CO)C[C@]([H])(O)[C@@]([H])(O)[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)O1
DB02066	[H][C@]1(CO)O[C@@]([H])(C2=C3N=CN=C(NC)C3=NN2)[C@]([H])(O)[C@]1([H])O
DB02067	[H]N([H])C1=NC(=O)C2=C(N([H])C[C@H](CN([H])C3=CC=C(C=C3)C(=O)N([H])[C@@H](CCC(=O)N([H])[C@@H](CCC(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)N2C=O)N1[H]
DB02068	[NH3+]CCCCC(O)=O
DB02069	NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=CC=CC=C1F
DB02071	COC1=CC=C(C=C1)S(=O)(=O)N(CC1=CC=CN=C1)C1=C(C=CC=C1C)C(=O)NO
DB02072	OC(=O)C(=O)NC1=C(C(O)=O)C2=C(CSCC2)S1
DB02073	CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(N1)\C=C1/N=C(/C=C2\NC(=O)C(C=C)=C2C)C(C)=C1CCC(O)=O
DB02074	C\C=C\C(O)=O
DB02075	[H]N1C=C([C@@H]2N([H])[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C2=C1C(=O)N=CN2[H]
DB02076	O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O
DB02077	N[C@@H](CCC\N=C(/N)N[N+]([O-])=O)C(=O)N[C@H]1CN[C@@H](C1)C(N)=O
DB02078	COCCOCCOCCOC
DB02079	NOCC(O)=O
DB02080	COCCOCCOCCOC1=CC=C(C=C1)C(C)(C)CC(C)(C)C
DB02081	[H][C@@]1(CC2=CC=C(C=C2)C(N)=N)CCCC[C@@]([H])(CC2=CC=C(C=C2)C(N)=N)C1=O
DB02082	NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1
DB02083	CN(C)CC(O)=O
DB02084	[H][C@](CC([O-])=O)(C(O)=O)C1=CC(=C([O-])C(=C1)C1=NC2=C(N1)C=C(C=C2)C(N)=N)C1=CC=CC=C1OC
DB02085	NC1(CC1)C(O)=O
DB02086	OC1=CC=C(C=C1O)[As+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
DB02087	NS(=O)(=O)C1=CC(F)=CC(F)=C1
DB02088	CCCC[C@H](N)P(O)(O)=O
DB02089	ClC1=CC2=C(NC(=C2)C(=O)NCCOCCOCCNC(=O)C2=CC3=C(N2)C=CC(Cl)=C3)C=C1
DB02090	[H][C@@](CCCO)(C(=O)NO)[C@@]([H])(CC(C)C)C(=O)N[C@@]1([H])CCCCN(CCOC)C1=O
DB02091	CC1=NC(C)=C(S1)C1=NC(N)=NC=C1
DB02092	CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]23[H])C1
DB02093	[H]N(O)C(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O
DB02094	OB(O)CNC(=O)CC1=CC=CS1
DB02095	O=C1NC2=CC=CC=C2C1=O
DB02096	[H][C@](CO)(CCC1=CC=CC=C1)N1C=NC(=C1)C(N)=O
DB02097	NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
DB02098	[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(OP(O)(O)=O)[C@]1([H])O
DB02101	[H]N([H])C(=O)[C@@H]1C[C@@]2(N([H])C(=O)N([H])C2=O)C2=C(O1)C=CC(F)=C2
DB02102	[H][C@]1(CC2=CC=CC=C2)N(CC2=CC(N)=CC=C2)C(=O)N(CC2=CC(N)=CC=C2)[C@]([H])(CC2=CC=CC=C2)[C@]([H])(O)[C@@]1([H])O
DB02103	[H][C@@]1(CO)CC[C@@]([H])(O1)N1C=NC2=C1N=C(Cl)N=C2N
DB02104	COC1=CC(=CC(OC)=C1OC)N(C)CC1=C(C)C2=C(N)N=C(N)N=C2N=C1
DB02105	OC1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O
DB02106	OC(O)CC1=CC(Br)=C(OC2=CC(C(O)NCCC3=CC=CC=C3)=C(O)C=C2)C(Br)=C1
DB02107	CC(C)C[C@@H](C)N
DB02108	[H]N=C([H])CN
DB02109	ON(CC(O)=O)C=O
DB02110	CC1=C(CCC(O)=O)C2=CC3=C(CCC(O)=O)C(C)=C4C=C5N6C(=CC7=C(C=C)C(C)=C8C=C1N2[Co]6(N34)N78)C(C)=C5C=C
DB02111	OC(=O)C1=CON=C1O
DB02112	CC(=N)N1CCC(CC1)OC1=CC=C2C(=C1)N(CC1=CC=C3C=CC(=CC3=C1)C(N)=N)C1=C2C=CC=C1
DB02113	CC1=C2NC=NC2=NC=N1
DB02114	CC(C)C1=CC=C(N)C=C1
DB02115	[H][C@]1(CO)O[C@@]([H])(OC2=CC=C3C(=O)C(=COC3=C2)C2=CC=C(O)C=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O
DB02116	CN1C=NC2=C1N=C(NCCO)N=C2NCC1=CC=CC=C1
DB02118	[H][C@@]1(CN(CC2=CC=CC=C2)C(=O)CO1)C1=CC2=C(C=C1)N(C)S(=O)(=O)C2
DB02119	NC1=NC2=C(N=C(CO)CN2)C(=O)N1
DB02120	[H][C@]1(N)C=C(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O
DB02121	CCCC(N)=O
DB02122	OB(O)C1=CC=CC(NC(=O)CI)=C1
DB02123	C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
DB02124	[H][C@]1(O)C=CC=C(C(O)=O)[C@]1([H])N
DB02125	O=C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2
DB02126	OC(=O)\C=C\C1=CC=C(C=C1)C(O)=O
DB02127	CC(C)OP(C)(=O)OC(C)C
DB02128	[H]N([C@@H](CC1=CC=CC=C1)C(=O)N([H])[C@@H](CCC1=CC=CC=C1)C(=O)CO)C(=O)OCC1=CN=CC=C1
DB02129	OC(=O)[C@@H]1CC(=O)NC(=O)N1
DB02130	COC1=CC(=CC=C1O)C([O-])=O
DB02131	[H]N(C=O)[C@H](C)CCCCCC
DB02132	OC(=O)CN1C(=O)N(CC2=C(F)C=C(Br)C=C2)C(=O)C2=C1C=C(Cl)C=C2
DB02133	[Mg++].CCC1=C(C)C2=N\C\1=C/C1=C(C)C3=C([N-]1)\C([C@@H](C(=O)OC)C3=O)=C1/N=C(/C=C3\[N-]/C(=C\2)C(C=C)=C3C)[C@@H](C)[C@@H]1CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
DB02134	O=C1NC2=C(NC=N2)C(=O)N1
DB02135	[H]N1C2=C(N(CCCCOP(O)(O)=O)C(=O)N2C[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)N([H])C1=O
DB02136	[H][C@]1(NC(C(O)=O)=C(CC[C@H](NC(=O)CC[C@@H](NC(C)=O)C(O)=O)C(=O)N[C@H](C)C(=O)N[C@H](C)C(O)=O)CS1)[C@H](NC(=O)CC1=CC=CC=C1)C(O)=O
DB02137	O=[Mo++]=O.NC1=NC2=C(N[C@@H]3[C@H](N2)O[C@H](COP([O-])([O-])=O)C([S-])=C3[S-])C(=O)N1
DB02138	CCOP(=O)(CC1=CC=C(C)C=C1)OCC
DB02139	CN(CC=C)C\C=C\COC1=CC2=C(C=C1F)C(=NN2C)C1=CC=C(Br)C=C1
DB02140	[H][C@@](CC1=CC=CC=C1)(NC(=O)C(=O)CC(=O)NCCC1=NC=CC=C1)C(=O)N(C)C
DB02141	NC(=N)SCCC1=CC=C(CCSC(N)=N)C=C1
DB02142	CC1=NC=C(COP(O)(O)=O)C(CN)=C1O
DB02143	CC(C)\N=C(/N)NO
DB02144	[H]\C(CCCCCCCC)=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)O[C@@]1([H])[C@]([H])(O)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O
DB02145	CCCCO
DB02147	[O-][V]1(=O)O[V]([O-])(=O)O[V]([O-])(=O)O[V]([O-])(=O)O1
DB02148	CC(=O)[C@@H](N)COCC1=CC=CC=C1
DB02151	CSCC[C@H](N)P(O)(O)=O
DB02152	[H][C@]12C[C@](O)(C(=O)OC)[C@](C)(O1)N1C3=C(C=CC=C3)C3=C4CNC(=O)C4=C4C5=CC=CC=C5N2C4=C13
DB02153	N[C@@H](C[S@@](O)=O)C(O)=O
DB02154	[H][C@@](CC1=CC=C2OCOC2=C1)(C(O)=O)[C@]([H])(CC1=CC=C2OCOC2=C1)C(O)=O
DB02155	[H]N([C@@H]1CN([H])CCC[C@H]1OC(=O)C1=CC=C(C=C1)C(=O)C1=C(O)C=CC(OC)=C1)C(=O)C1=CC([C@@H](C)CC)=C(O)C=C1
DB02158	CSC[C@H]1N[C@H]([C@H](O)[C@@H]1O)C1=CNC2=C1N=CNC2N
DB02159	C[C@@H](O)CO
DB02160	[H][C@](N)(CSC(=O)CCC)C(O)=O
DB02161	[H][C@](O)(C(=O)O[C@@]1([H])C[C@]2([H])CC[C@]([H])(C1)N2C)C1=CC=CC=C1
DB02162	[H][C@]1(COS(=O)(=O)NCC)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O
DB02163	CC1=CC=C(C)C(N)=C1
DB02164	[H]N1C(=O)N=C2N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C3=C(C=C(C)C(C)=C3)[N+](=C2C1=O)S([O-])(=O)=O
DB02165	[Zn].[H]O[H].[H]O[H].[H]O[H]
DB02166	CC[N+](C)(CC)CCC[N+]1=C(C2=CC=CC=C2)C2=C(C=CC(N)=C2)C2=C1C=C(N)C=C2
DB02168	BrC1=NC=NC2=C1NC=N2
DB02169	[H]\C(=C(\[H])[C@@]1([H])CC[C@@]2(CC[C@@]3([H])O[C@@]([H])(C(=C)[C@@]([H])(O)[C@]3([H])O2)[C@@]([H])(O)C[C@]([H])(C)[C@@]2([H])O[C@@]3(CCCCO3)CC[C@@]2([H])C)O1)[C@@]([H])(C)[C@]1([H])CC(C)=C[C@@]2(O[C@]([H])(C[C@@](C)(O)C(O)=O)CC[C@@]2([H])O)O1
DB02170	OC1=CC=C(C2=C1C(=O)C1=C(O)C=CC=C1O2)[N+]([O-])=O
DB02172	OC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O
DB02174	N[C@H](CCC(N)=O)C(O)=O
DB02175	OC(=O)CC(O)=O
DB02177	CCOC1=CC=CC=C1SC1=C(C=C(C=C1)C1=CC(=NC=C1)N1CCN(CC1)C(C)=O)N(=O)=O
DB02178	O=CCC1=CC=CC=C1
DB02179	OC(=O)C1=CC=CC=C1NC1=C(C=CC=C1)C(F)(F)F
DB02180	CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N
DB02181	NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)N1
DB02182	CCC1=C2C=C3N4C(=CC5=C(C)C(CCC(O)=O)=C6C=C7N8C(=CC(N2[Fe]48N56)=C1C)C(C)=C7CCC(O)=O)C(C=C)=C3C
DB02183	[H]N([H])C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[W](O)(=O)O[W](O)(O)=O)[C@@H](O)[C@H]1O
DB02184	O[C@H](CS)[C@H](O)CS
DB02185	[H][C@@]1(O)OC2=C(C=CC(OC)=C2)N(O)C1=O
DB02186	CC(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(=O)=O)[C@H](O)[C@@H]1O
DB02187	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC=C21)C=C(O)C=C3
DB02189	NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](CO[P@@](O)(=O)O[P@](O)(=O)OP(O)(O)=O)O1
DB02190	[H][C@@](CC(O)=O)(C(O)=O)C(=O)C(O)=O
DB02191	[H][C@@]12CCCC[N@]1CC(=O)C1=C2NC2=C1C=CC=C2
DB02192	OCCC1=CC=CC=C1
DB02195	ON1C2=CC=CN=C2C(=C1C1=CC=NC=C1)C1=CC=C(F)C=C1
DB02196	CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[P@](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O
DB02197	NS(=O)(=O)C1=CC=C(NC2=NC(=CC=N2)C2=CN=C3C=CC=CN23)C=C1
DB02198	OC(=O)CBr
DB02200	[H]N([C@@H](CCC1=CC=CC=C1)CCS(=O)(=O)CC1=CC=CC=C1)C(=O)[C@H](CC1=CC=CC=C1)N([H])C(=O)OCC1=CC=CC=C1
DB02201	[O-]C(=O)CC([O-])=O
DB02205	[H][C@]1(CC2=C(O1)C=C1OC(=O)C(=CC1=C2)C(C)(C)C=C)C(C)(C)O
DB02207	O=N(=O)C1=CC=CC2=CNN=C12
DB02209	CC1=NC=C(COP(O)(O)=O)C(CO)=C1O
DB02210	OCCCCCCO
DB02211	[H][C@]1(CCC2=C1C=CC=C2)N(C)CC#C
DB02213	[H][C@]1(CO)O[C@]([H])(OC2=CC=CC(=C2)N(=O)=O)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O
DB02214	[H]N1C(=O)N([H])C2=C(N([H])C(=O)C(=O)N2C[C@H](O)[C@H](O)[C@H](O)CO)C1=O
DB02215	[H][C@@](CC(C)C)(NC(=O)C1=CC=CO1)C(O)=O
DB02216	CSC[C@H](N)C(O)=O
DB02217	[H][C@]1(C[C@]2([H])O[C@@](OC[C@]2([H])O1)(C1=CC=CC=C1)P(O)(O)=O)N1C=C(C)C(=O)NC1=O
DB02218	[H][C@]1(C)O[C@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N[C@@]1([H])C=C(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O
DB02220	CN[C@H]1CN(C2=CC(OC)=CC=C2)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O
DB02221	NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=C(F)C=C(F)C=C1F
DB02222	C[C@@H](CN1C=NC2=C1N=C(N)N=C2N)OCP([O-])([O-])=O
DB02223	NC1=NC(=O)C2=C(NC=C2CCC2=CC=C(C=C2)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)N1
DB02224	O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2C1=O)C1=CC=C(O)C(O)=C1
DB02225	CCCCC(=O)OC[C@H](CO[P@@]([S-])(=S)OCC[N+](C)(C)C)OC(=O)CCCC
DB02226	NC1=CC2=C(C=C1)C1=CC=C(N)C=C1C(C1=CC=CC=C1)=[N+]2CCCCCCC1=CN(CCNC2=C3CCCCC3=NC3=C2C=CC=C3)N=N1
DB02227	O[C@H]1CO[C@@H](C[C@@H]1O)C(O)=O
DB02228	[H][C@@]1(O)O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]1([H])F
DB02229	CSCC[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)NC=NC12
DB02230	NC1=NC2=C(NC=C2[C@@H]2N[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1
DB02232	OC1=CC=CC=C1O
DB02233	[H][C@@](N)(CCCCO)C(O)=O
DB02234	CCSC(N)=N
DB02235	C[S@@](=O)CC[C@H](N)C(O)=O
DB02236	NCC(=O)NC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
DB02237	OC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C=O
DB02238	CSCCC(=O)C(O)=O
DB02239	CC(=O)CCC(O)=O
DB02240	COC1=CC2=C(NC(C)CCCN(CCCl)CCCl)C3=CC=C(Cl)C=C3N=C2C=C1
DB02242	OC(=O)CCC1CCCCC1
DB02243	[H][C@](CCC)(C=CS(=O)(=O)C1=CC=CC=C1)N=C(O)[C@]([H])(CC1=CC=CC=C1)N=C(O)N1CCC(CC1)N1CCOCC1
DB02245	NC1=NC2=C(CC=N2)C(=O)N1
DB02247	[H][C@@](NC(=O)CC1=CC=CS1)(C(O)=O)[C@@]1([H])NC(C(O)=O)=C(C)CS1
DB02249	CCOCCO
DB02251	OC(=O)CCC(=O)C1=C(C=CC=C1)C(O)=O
DB02252	IC1=CC=CC=C1
DB02253	OC\C(C)=C\C=C\C(\C)=C/C=C/C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C
DB02254	CC1=C(CCOP([O-])([O-])=O)SC=[N+]1CC1=CN=C(N=C1N)C(F)(F)F
DB02255	[H][C@@](CC(C)C)(CC(=O)NO)C(=O)N[C@@]([H])(CC1=CNC2=CC=CC=C12)C(=O)NC
DB02256	OC[C@H]1O[C@H](C[C@@H]1O)N1C=CC(=O)NC1=O
DB02257	CC(=O)N(Br)CCOP(O)(O)=O
DB02258	CC1(C)CCC(C)(C)C2=CC(=CC=C12)C(=N/O)\C1=CC=C2C=C(C=CC2=C1)C(O)=O
DB02259	CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C2=C(O1)C=C(C=C2)S(=O)(=O)NC1=CC=C(C=C1)S(N)(=O)=O
DB02260	OC(=O)CCCCCC(=O)CCC(O)=O
DB02261	CCCCCCCCCCCCCCCCOC[C@H](CO[P@@]([O-])(=O)OCC[N+](C)(C)C)OC(C)=O
DB02262	OC(=O)C1=CC(=O)NC(=O)N1
DB02263	O[C@H](COP(O)(O)=O)C=O
DB02264	[H][C@@]1(O)O[C@@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])OS(O)(=O)=O
DB02265	CC[Si](C)(C)C
DB02266	OC(=O)C1=CC=CC=C1NC1=CC(=CC=C1)C(F)(F)F
DB02267	N[C@@H](CCC\N=C(/N)N[C@H](CC(O)=O)C(O)=O)C(O)=O
DB02268	CC(=O)NC1=C(N)C=C(C=C1)C(O)=O
DB02269	C[N+](C)(C)C1=CC=C(CNC(=O)C2=CC3=C(C=CC(OCC4=CC=CC=C4)=C3)N2CC2=CC=CC(=C2)C(N)=N)C=C1
DB02270	CC(C)CCS[P@](O)(=O)OP(O)(O)=O
DB02271	[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@H](O)C(=O)N([H])CCC(=O)N([H])CCSCC(=O)CCCCCCCCCCCCC)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1
DB02272	NCC1=C(CC(O)=O)C(CCC(O)=O)=CN1
DB02274	[H][C@@](C)(N)C(=O)CCCCCC(O)=O
DB02276	[H][C@@](CC(C)C)(NC(=O)[C@]([H])(CCCC)OP(O)(O)=O)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O
DB02277	CN1N=C(C=C1NC(=O)NC1=CC=C(Cl)C=C1)C(C)(C)C
DB02278	[H]N([H])C1=NC(=O)C2=C(N1[H])N([H])C(C)(C)C(=O)N2[H]
DB02279	OC(=O)C(=O)C1=CC=CC=C1
DB02280	O[C@@H](C(O)=O)C1=CC=CC=C1
DB02281	[H][C@]1(CO)O[C@@]([H])(C2=C3N=CN=C(N)C3=NN2)[C@]([H])(O)[C@]1([H])O
DB02282	CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N
DB02283	OS(=O)(=O)CCNC1=CC=CC=C1
DB02285	CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(C=C)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C=C)=C4C)/C(C)=C3CCC(O)=O
DB02287	NC(=[NH2+])C1=CC2=C(C=C1)N=C(N2)C1=CC=CC=C1O
DB02288	CC1=CC(Br)=C([O-])C(=C1)C1=NC2=CC(=CC=C2N1)C(N)=[NH2+]
DB02289	NC(C(O)=O)C(O)=O
DB02290	OC[C@@H](O)[C@@H](O)[C@@H](O)CN1C(=O)N(CCCOP(O)(O)=O)C2=C1NC(=O)NC2=O
DB02292	NS(=O)(=O)OC1=CC=C2C3=C(CCCCC3)C(=O)OC2=C1
DB02294	[H][C@]1(O)C2=NN=NN2[C@]([H])(CO)[C@]([H])(O)[C@]1([H])O
DB02296	CC(C)CCO
DB02297	NC1=CN=CC(Cl)=N1
DB02299	N[C@@H](CCCNC(N)=[NH2+])C(N)=O
DB02300	O[C@H](\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)C1CC1
DB02301	NC1=NC(=O)C2=C(N1)N=C[C@@H]1CN(CN21)C1=CC=C(C=C1)C(=O)N[C@H](CCC(O)=O)C(O)=O
DB02302	CN\C(NCCC[C@H](N)C(O)=O)=N/C
DB02303	[H]N1C[C@H](I)C(=O)N([H])C1=O
DB02304	CCCCC[C@H](O)\C=C\C1=C(C\C=C/CCCC(O)=O)C(=O)CC1
DB02305	[H][C@@]1(O)OC(=C[C@]([H])(O)[C@@]1([H])O)C(O)=O
DB02306	CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
DB02307	[H]N([H])C(=O)[C@H](CC(O)=O)N([H])C(=O)[C@H](CC1=CC=CC=C1)N([H])[C@@H](CCC1=CC=CC=C1)C(O)=O
DB02308	[NH3+]CCCCOB1OCCO1
DB02309	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)[N+]1=CNC2=C1NC(=O)NC2=O
DB02310	CC1=CN=C2C(=C1)C(C)=C(C)C1=C2[N+](C)=CC(C)=C1
DB02311	CSC[S@](C)=O
DB02312	O[C@@H]1O[C@H](COP(O)(O)=O)[C@H](O)[C@H](O)[C@H]1O
DB02313	[H]N([C@H](CCC(=O)OCC)C[C@@H]1CCN([H])C1=O)C(=O)[C@H](CC(=O)[C@@H](N([H])C(=O)C1=NOC(C)=C1)C(C)C)CC1=CC=C(F)C=C1
DB02314	C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@@H]1NC(C)=O)C(=O)N[C@H](CCC(O)=O)C(O)=O
DB02315	NC1=NC2=C(N=CN2[C@@H]2O[C@@H]3COP(O)(=O)O[C@H]3[C@H]2O)C(=O)N1
DB02316	OC(=O)CCCCCN1C(=CC2=C1C=CC(OCC1=C(Cl)C=CC=C1Cl)=C2)C(O)=O
DB02317	OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@H]1O
DB02318	[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)OC([H])(F)[C@@]1([H])F
DB02319	[H]N([H])C(=O)C1=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](OP(O)(O)=O)[C@@H]3O)N3C=NC4=C(N=CN=C34)N([H])[H])[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)C1
DB02320	[H]N([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)=O
DB02321	N[C@@H](CCSC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O)C(O)=O
DB02322	[H][C@]1(O)O[C@]([H])(COS([O-])(=O)=O)[C@@]([H])(O[C@]2([H])OC(=C[C@]([H])(O)[C@@]2([H])OS([O-])(=O)=O)C([O-])=O)[C@]([H])(O)[C@@]1([H])NS([O-])(=O)=O
DB02323	[H][C@]1(CCCCCCCCC(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)C[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])CC[C@]2(C)[C@@]1([H])O
DB02324	[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=C(I)C(=O)NC1=O
DB02325	CC(C)O
DB02326	CC(C)C[C@@H](C(O)=O)C(=O)NO
DB02327	OCCOCCOCCO
DB02328	[H]\C(CP(O)(O)=O)=C(\[H])/C(=N\CC1=C(COP(O)(O)=O)C=NC(C)=C1O)/C(O)=O
DB02329	[H][C@@]1(CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])C(=O)C=C2[C@]4([H])C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C)OC(=O)CCC(O)=O
DB02331	[H][C@@](CC1=CC=CC=C1)(N(CC1=CC=C(S1)C1=CC2=CC=CC=C2O1)C(=O)C1=C(Cl)C=C(Cl)C=C1)C(O)=O
DB02332	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C([NH3+])N=CN=C13)C1=NC(=O)NC(=O)C1=N2
DB02333	O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O
DB02334	O[C@@H](CS(O)(=O)=O)C(O)=O
DB02335	NC1=NCCS1
DB02336	CC(=O)N[C@@H](CC1=CC(=C(C=C1)P(O)(O)=O)P(O)(O)=O)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O
DB02337	N[C@@H](CCSCCCCC(O)=O)C(O)=O
DB02338	NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O
DB02339	CN(CCCCCCOC1=CC=C2C(OC=C2C2=CC=C(Br)C=C2)=C1)CC=C
DB02340	CC(=O)N[C@@H](CO)C(O)=O
DB02341	CC(C)[C@@H](NC(=O)C1=CC=C(C=C1)C(=O)N1CCOCC1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(C)C)C(=O)C(F)(F)C(F)(F)F
DB02342	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(OC)=C3
DB02343	CCOCCOCCOCCOCCOCC
DB02345	N[C@@H](C[SeH])C(O)=O
DB02346	[H][C@]1(CO)O[C@@](CO)(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(OC(=O)CCCCCCC)[C@@]2([H])O)[C@@]([H])(O)[C@]1([H])O
DB02347	CC(C)(C)C1=C(C[C@H](N)C(O)=O)C(OCP(O)(O)=O)=NO1
DB02348	[O-]P([O-])(F)=O
DB02350	[H][C@@]1(N(CCCSC1(C)C)S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)NO
DB02352	NC1=NC=CC=C1OCC1=CC=CC=C1
DB02353	[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])OC(=C[C@]([H])(O)[C@@]2([H])OS([O-])(=O)=O)C([O-])=O)[C@]([H])(O)[C@@]1([H])NS([O-])(=O)=O
DB02354	CN1C(CNC2=CC=C(C=C2)C(N)=N)=NC2=C1C=CC(CN1C(C)=NC3=C1C=CC=C3)=C2
DB02355	[H][C@]1(CO[P@@](O)(=S)OP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O
DB02358	[H]N([H])C1=NC(=O)C(N([H])[H])=C(N([H])C(=O)N([H])C2=CC=C(C=C2)C(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)N1[H]
DB02359	CCCCN1C(CC2=CC(OC)=CC=C2OC)=NC2=C(N)N=CN=C12
DB02360	[H][C@](C(=O)C1=CC2=CC=CC=C2C=C1)(C1=CC=CC2=CC=CC=C12)P(O)(O)=O
DB02361	[H][C@](N)(CSSC)C(O)=O
DB02362	NC1=CC=C(C=C1)C(O)=O
DB02363	[H][C@]1(COP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(OP(O)(O)=O)[C@]1([H])O
DB02364	[H][C@](N)(COP(=O)(OCC)OCC)C(O)=O
DB02365	C1=CC2=CC=C3C=CC=NC3=C2N=C1
DB02366	NC(=N)C1=CC2=C(NC(=N2)C2=CC=CC(C3=CC=CC=C3)=C2O)C=C1Cl
DB02367	CCCCOC1=CC=C(C=C1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NS(C)(=O)=O
DB02368	CC(=O)N[C@@H](CCCNC(N)=O)C(O)=O
DB02369	CN(CCO[P@]([O-])(=O)OP([O-])([O-])=O)CCC=C(C)C
DB02370	C[C@@H](NCCCC[C@H](N)C(O)=O)C(O)=O
DB02371	OCC(CO)(CO)NCCS(O)(=O)=O
DB02373	[H]N([H])C1=NC=NC2=C1N=CN2[C@]1([H])O[C@@]([H])(CO[W](O)(O)=O)[C@]([H])(O)[C@@]1([H])O
DB02374	[H][C@@]1(O)CN2C=CN=C2[C@]([H])(O)[C@@]1([H])O
DB02375	OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C(O)=C2)=C1
DB02376	[H][C@]1(O)C(NO)=N[C@]([H])(CO)[C@@]([H])(O)[C@]1([H])O
DB02377	NC1=NC(=O)C2=C(N1)N=CN2
DB02378	CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NCCCCCCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC1=CC=CC=C1
DB02379	OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
DB02381	N[C@@H](CCNC(=N)NO)C(O)=O
DB02382	[H][C@]1(COP(O)([O-])=O)O[C@@]([H])([N+]2=CC=CC(=C2)C(O)=O)[C@]([H])(O)[C@]1([H])O
DB02383	COC1=C(C2=CC=CC(C(=S)N(C)CC(O)=O)=C2C=C1)C(F)(F)F
DB02384	[H]\C(=C(/F)C(O)=O)C1=CC=C([O-])C=C1
DB02386	CC(C)C[C@H](N)P(O)(O)=O
DB02388	CCCN1C(=NC(=C1C1=CC=NC(NC2CCCCC2)=N1)C1=CC=C(Cl)C(Cl)=C1)C1CCNCC1
DB02391	NC1=NC2=C(N(CCNC(CO)CO)C=N2)C(=O)N1
DB02393	[H][C@]1(O)[C@]([H])(O)[C@]([H])(CP(O)(O)=O)O[C@]1([H])COP(O)(O)=O
DB02394	[H][C@@]12C[C@]([H])(O)[C@@]([H])(O)[C@]([H])(O)[C@]1(CO)O2
DB02395	CN1C(CCCO)=C(CO)C2=C1C(=O)C=C(N1CC1)C2=O
DB02396	CCNC
DB02398	NCC1=CC=C(NC(=O)C2=CC=C3C=C(C=CC3=C2)C(N)=N)C=C1
DB02399	[H][C@@](C)(O)[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(O)CO
DB02400	COC1=CC(=O)C2=C(C(COC3=CC=C(C=C3)[N+]([O-])=O)=C(C)N2C)C1=O
DB02401	OC(=O)C1=NON=C1O
DB02402	COC1=CC=C(OC2=CC=CC3=NC(N)=NC(N)=C23)C=C1
DB02403	NC1=CC=CC=C1F
DB02404	OCCOCCOCCOCCOCCOCCOCCS
DB02405	OC(=O)CCCCCCCCCCCBr
DB02406	CCCCC(O)=O
DB02407	NC1=NC(OCC2CCCCC2)=C2N=CNC2=N1
DB02408	[H][C@](N)(CCCC)C(O)(O)CNC1CC1
DB02410	CC(=O)C1=[N+](CC2=CN=C(C)N=C2N)C(C)=C(CCOP(O)(=O)OP(O)(O)=O)S1
DB02411	CC(C)CCN(C[C@@H](O)[C@@H]1CC2=CC=C(OCCCC(=O)N[C@@H](CC(N)=O)C(=O)N1)C=C2)S(=O)(=O)C1=CC=CC=C1
DB02413	N[C@@H](CSCCO)C(O)=O
DB02414	[H][C@@]12CCCN1C(=O)[C@H](CC1=CN=CN1)NC2=O
DB02415	CCCCCCCC[S@@](=O)CCO
DB02417	OC1=C(Br)C=C(Br)C=C1Br
DB02418	C[C@@H](O)[C@H](C)O
DB02419	CCOC(=O)C(=O)N1CCCCC1
DB02420	NCC1=CC=C(NC(=O)C(O)=O)C=C1
DB02421	[H]N1C(=O)C=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C1=O
DB02422	[H][C@]1(CO)O[C@]([H])(OC)[C@@]([H])(S[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]2([H])O)[C@@]([H])(O)[C@]1([H])O
DB02423	OP(O)(=O)OP(O)([O-])=S
DB02424	CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O
DB02425	CCCCCCCCCCCCCCCOC(=O)CCCCCCC
DB02426	CC(C)CC(=O)O[C@H]1[C@@H](O[C@@H]2C[C@]3(C)[C@H]4CC[C@@H]5C[C@@]4(CC[C@H]3C(C2)(C(O)=O)C(O)=O)[C@@H](O)C5=C)O[C@@H](COO)[C@H](OS(O)(=O)=O)[C@@H]1OS(O)(=O)=O
DB02427	COC1=CC(CN(C)C2=CC=C3N=C(N)N=C(N)C3=C2)=C(OC)C=C1
DB02428	OC(=O)C1=NC2=C(C=CC=C2)C=C1
DB02429	NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=CC=C(F)C=C1
DB02430	OC[C@H]1O[C@H](O[C@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
DB02431	NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
DB02432	COC(=O)C1=CC(C[C@H](NC(C)=O)C(=O)N[C@H]2CCCCN(CC3=CC=C(C=C3)C3=CC=CC=C3)C2=O)=CC=C1C(F)(C(O)=O)C(O)=O
DB02433	[H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)CN(CC(O)O)CP(O)(O)=O
DB02434	OC(=O)CCCC1=CC=CS1
DB02435	[NH3+]CC1CCCCC1
DB02436	CCCCCNC(=O)[C@H](CC1=CC=C(OC(C(O)=O)C(O)=O)C=C1)NC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O
DB02437	N[C@H](CO)CCCCNC(O)=O
DB02438	[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(OC)C(=O)CO
DB02441	CCCCC1=NC2=C(N1)C(=O)NNC2=O
DB02442	[H][C@](N)(C[SeH](=O)=O)C(O)=O
DB02443	[H][C@](N)(COC(=O)[C@@]([H])(N=C([O-])C1=C(OC)C=CC=C1OC)[C@]1([H])N[C@@]([H])(C(O)=O)C(C)(C)S1)C([O-])=O
DB02445	[H][C@](N)(CO)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)COP(O)(O)=O
DB02446	N[C@@H](CCC(=O)NO)C(O)=O
DB02447	[H]N1C(=O)N(O)C(=O)[C@]11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
DB02448	CCCCCCCCCCCCC(O)=O
DB02449	[H][C@@](CC1=CNC2=CC=CC=C12)(NS(=O)(=O)C1=CC=C(C=C1)N1CCC(CC1)C1=CC=CC=C1)C(O)=O
DB02450	[H][C@@](CC1=CC=CC=C1)(C(O)=O)[C@]([H])(CC1=CC2=C(OCO2)C=C1)C(O)=O
DB02451	CCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
DB02452	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O
DB02453	[H]O[Sb](O[H])O[H]
DB02456	NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O
DB02457	[H][P@@](=O)(CCCCCCCCCCC)OCCCC
DB02458	[H][C@](N)(CCC(=O)N[C@@]([H])(CSC1=C(C=C(C=C1)N(=O)=O)N(=O)=O)C(=O)NCC(O)=O)C(O)=O
DB02459	NC(=N)NC1=CC=C(C=C1)C(O)=O
DB02460	[H][C@]12N=C(\C(C)=C3/N=C(/C=C4\N=C(\C(\C)=C5/N[C@]1(C)[C@@](C)(CC(O)=O)[C@@H]5CCC(O)=O)[C@@](C)(CC(O)=O)[C@@H]4CCC(O)=O)C(C)(C)[C@@H]3CCC(O)=O)[C@](C)(CCC(O)=O)[C@H]2CC(O)=O
DB02461	N[C@@H](CSCP(O)(O)=O)C(O)=O
DB02462	CN(C)CCCOC1=CC(=O)SC2=CC=CC=C12
DB02463	NC(=[NH2+])C1=CC2=C(NC(=C2)C2=CC=CC=C2O)C=C1
DB02464	NCC1=CC=CC=C1
DB02465	[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC[P@](F)(=O)OC
DB02466	CC1(C)CCC(C)(C)C2=CC(=CC=C12)C(=O)\C=C\C1=CC=C(C=C1)C(O)=O
DB02467	[H]C([H])([H])[S@](=O)C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
DB02468	CC1C(C=C)C2=CC3=C(C)C(CCC(O)=O)=C4C=C5N6C(=CC7=C(C)C(C=C)=C8N7[Fe++]6(N34)N2C1=C8C1=CC=CC=C1)C(C)=C5CCC(O)=O
DB02469	[H][C@]1(C)O[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N
DB02470	[H][C@@](O)(COP(O)(O)=O)[C@@]1([H])O[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(O)[C@]1([H])O
DB02471	[H][C@]1(O)C2=NN=NN2[C@]([H])(CO)[C@@]([H])(O)[C@]1([H])O
DB02472	[H]N1CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=CN2[H]
DB02473	CC(C)C1=NCCC2=C1C=C(NC(=O)C1=CC=C3C=C(C=CC3=C1)C(N)=N)C=C2
DB02474	[H]N(CCCCCC(=O)N([H])[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)OC
DB02475	NC(=N)NCCC[C@H](N1CCC1=O)C(O)=O
DB02477	CC1=NC=CN1CCCCC1=CC=C(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC2CCCCC2)C=C1
DB02479	[H]N([H])S(=O)(=O)C1=CC=C(C=C1)C(=O)N([H])C[C@@H](C)CN1C=CC2=CC=CC=C12
DB02480	C[C@@](O)(CBr)CCOP(O)(=O)OP(O)(O)=O
DB02481	O=CNCC1=CC=CC=C1
DB02482	C[C@H](OP(O)(O)=O)[C@@H](N)C(O)=O
DB02483	[H]N([H])C(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN2C=CN=C32)[C@@H](O)[C@H]1O
DB02484	[H]N([H])C1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@@H](O)CO)[C@@H](O)[C@H]1O
DB02485	[H][C@]1(O[C@](C[C@H](O)[C@H]1NC(C)=O)(OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O)C(O)=O)[C@H](O)[C@H](O)CO
DB02486	OCCSSCCO
DB02489	CN1C=NC2=C1N=C(N)NC2=O
DB02490	CN(CC(O)=O)C(N)N
DB02491	CC(C)(N)C1=CC=C(C=C1)C1=NC(NC2=CC=C(CCN3CCOCC3)C=C2)=NC=C1Cl
DB02492	[H][C@@](O)(CN1C[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])CO)C([H])(CO)OS([O-])([O-])[O-]
DB02493	[H]N1C(=O)N([H])[C@@]2(O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C1=O
DB02494	[H][C@](O)(CC1=CC=CC=C1)C(O)=O
DB02495	OCCCCN1C=NC2=C1N=C(NC1=CC=CC=C1)NC2=O
DB02496	CC(=O)[C@@H](O)[C@H](O)COP(O)(O)=O
DB02497	[H][C@@](O)(CO)COP(O)(=O)OC[C@]([H])(N)C(O)=O
DB02498	[H]N([H])C(=O)C1=C[N+](=CC=C1)[C@@H]1C[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N=CN=C23)N([H])[H])[C@@H](O)[C@H]1O
DB02499	N[C@@H](C\N=C(/N)NO)C(O)=O
DB02500	CC1=C(CC(CO)CO)NC(=O)NC1=O
DB02501	NC(=N)NCCC[C@H](NC(=O)CCC(O)=O)C(O)=O
DB02503	OB(O)C1=CC=C(\C=C\C(O)=O)C=C1
DB02504	CC1=C(CC(N)=O)C2=C(C=CC(OCCCP(O)(O)=O)=C2)N1CC1=CC=CC=C1
DB02505	CCCCCC1=CC=C(C=C1)C(=O)N(CC1=CC=C(C=C1)C1=CC=C(CC(=O)OC)C=C1)C1CCN(CC2=NC=CN2)CC1
DB02506	[H][C@@](C)(CC[C@]([H])(N)[C@]([H])(C)C(O)=O)C[C@]([H])(C)[C@]([H])(CC1=CC=CC=C1)OC
DB02507	[H][C@](CC(C)=O)(C1=CC=CC=C1)C1=C(O)C2=CC=CC=C2OC1=O
DB02508	CC(C)CCO[P@](O)(=O)OP(O)(O)=O
DB02509	CC(C)=CCC\C(C)=C/CC\C(C)=C/CO
DB02510	[H][C@]1(CCCN1)C(O)=NS(=O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O
DB02511	[H][C@](N)(CC1=C(O)C=C(O)C(N\C(COC2=CC=C3C=CC=CC3=C2)=C\C=O)=C1)C(O)=O
DB02512	O[C@H](COP(O)(O)=O)[C@H](O)[C@H](O)C(=O)COP(O)(O)=O
DB02513	CC(C)C1=CC=C(C)C=C1O
DB02514	[O-]C(=O)C(=C/OP(=O)=O)\C1=CC=CC=C1
DB02515	OC[C@@H](O)COP(O)(O)=O
DB02516	CC(C)(COP([O-])(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](O)C[N+](C)(C)C
DB02517	N[C@H](CCC(O)=O)C(O)=O
DB02518	C[C@H](NC(C)=O)C(O)=O
DB02519	[H]N1C(=O)\C(C2=C1C=CC(=C2)S(O)(=O)=O)=C1/N([H])C2=CC=CC=C2C1=O
DB02520	CCN(CC)C(S)=S
DB02521	OC1=CC2=C(C(O)=C1)C(=O)C=C(O)C2=O
DB02522	OC(=O)C(=O)CP(O)(O)=O
DB02524	[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@]4([H])OC5(O[C@@]34[H])C(=CC(C=C5[N+]([O-])=O)=[N+](O)[O-])[N+]([O-])=O)C2=NC=N1
DB02526	NC(=[NH2+])C1=CC=C2NC(=NC2=C1)C1=CC=CC(OC2CCCC2)=C1[O-]
DB02527	NC1=C2N=CN([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)C2=NC=N1
DB02528	[H][C@](N)(CC1=CN(C=N1)C1=NNN=N1)C=O
DB02529	[H][C@]1(N)C[C@@]([H])(O[C@@]([H])(C(=O)N(CC)CC)[C@]1([H])N=C(C)O)C(O)=O
DB02530	NCCCC(O)=O
DB02531	CC(C)C(O)=O
DB02532	NC1=CC=C2N=C(N)N=C(N)C2=C1
DB02534	OC1=CC=CC=C1CC=C
DB02535	NCCOCCOCCNC(=O)C1=CC=C(C=C1)S(N)(=O)=O
DB02537	[H]\C(C=O)=C(\COC1=CC=C(C)C=C1)NC1=C(O)C=C(O)C(C[C@]([H])(N)C(O)=O)=C1
DB02538	CC(=O)NC1=NC(=CC=N1)C1=C(C)N=C2C=CC=CN12
DB02540	[H][C@@](CCC(O)=O)(NC(=O)C1=CC=C(C=C1)[C@]([H])(CC1=CC2=C(NC(=N)N=C2O)C=C1)C(O)=O)C(O)=O
DB02541	[NH3+]CCCCO
DB02542	C[C@H](CF)C[C@H](N)C(O)=O
DB02543	OC(=O)C1=CC=CN1
DB02544	CN(CCCCCCOC1=CC=C2C(SN=C2C2=CC=C(Br)C=C2)=C1)CC=C
DB02545	COC(=O)\C=C\C1=CC(=CC=C1)N(CC1=CC=C(C=C1)C1=CC=C(C=C1)N(C)C)C(=O)C1CCCCC1
DB02546	ONC(=O)CCCCCCC(=O)NC1=CC=CC=C1
DB02547	C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2NC(N)=NC3=O)[C@@H](O)[C@@H](O)[C@@H]1O
DB02548	OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O
DB02549	[H][C@@]1(C[C@]([H])(OC(C)=O)[C@@]([H])(COP(O)(=O)OP(O)(O)=O)O1)N1C=C(C)C(O)=NC1=O
DB02550	COC1=C(OC)C(OC)=C(Cl)C(CC2=NC3=C(N)N=C(F)N=C3N2CCCC#C)=C1
DB02551	[H][C@]1(CC)CNCC2=C1C=C(NC(=O)C1=CC=C3C=C(C=CC3=C1)C(N)=N)C=C2
DB02552	CC(C)=CCC\C(C)=C\CO[P@@](=O)(O)OP(=O)(O)O
DB02553	[H][C@@](N)(CCC(O)=N[C@@]([H])(CSSC[C@]([H])(N=C(O)CC[C@@]([H])(N)C(O)=O)C(O)=NCC(O)=NCCCNCCCCN)C(O)=NCC(O)=NCCCNCCCCN)C(O)=O
DB02555	CC(C)C[C@@H](N=C(N)N)C(=O)NCC(=O)N1CCC(CC1)C1=CC(=NN1C)C1=C(Cl)C(Cl)=C(OCC2=CC=C(NC(C)=O)C=C2)C=C1
DB02556	N[C@H](CC1=CC=CC=C1)C(O)=O
DB02557	CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O
DB02558	[H][C@@](C)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(=O)[C@]([H])(S)CC1=CC=CC=C1)C(O)=O
DB02559	[H][C@@]12CCN(C[C@@]3([H])CC[C@]4([H])N[C@@]([H])(N)N[C@@]([H])(N)[C@]4([H])C3)[C@@]1([H])CCCC2
DB02560	CC(=O)N[C@H](CC1=CC=C(Cl)C=C1)[B-](O)(O)OC[C@H](N)C(O)=O
DB02561	OC[C@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O
DB02562	[H][C@@]1(CN=C2NC(N)=NC(=O)C2=N1)[C@@H](O)[C@H](C)O
DB02563	CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N
DB02565	CN(C)C1=CC=C(C=C1)C(=O)NCCCCCCC(=O)NO
DB02566	[H][C@@](C)(O)C1=CC(=NC2=C1C=CC[C@]2([H])O)C(O)=O
DB02567	CSC1=CC=CC(NC2=NC=C3C=C(C(=O)N(C)C3=N2)C2=C(Cl)C=CC=C2Cl)=C1
DB02568	NC1=NC(=O)C2=C(N1)C(CC1=CN=CC=C1)=CN2
DB02569	CC1=CN([C@@H]2O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)C=C2)C(=O)NC1=O
DB02570	[H][C@](S)(CC1=CC=C(I)C=C1)C(O)=O
DB02571	N[C@@H](CCCC=O)C(O)=O
DB02572	[H]C(N)(COC(O)=NCCCOCCOCCOCCCNC1=C(NCCCN2CCN(CCCN=C(O)C3=CC(=CC(OC4([H])OC([H])(CO)C([H])(O)C([H])(O)C4([H])O)=C3)N(=O)=O)CC2)C(=O)C1=O)COC(O)=NCCCOCCOCCOCCCNC1=C(NCCCN2CCN(CCCN=C(O)C3=CC(=CC(O[C@@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([H])O)=C3)N(=O)=O)CC2)C(=O)C1=O
DB02573	[H]N([H])C1=NC(=O)N(C=C1)[C@H]1C[C@H](OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N2C=NC3=C(N=CN=C23)N([H])[H])[C@@H](CO)O1
DB02574	NC(COC(=O)NCCCN1CCN(CCCNC(=O)C2=CC(=CC(OC3OC(CO)C(O)C(O)C3O)=C2)[N+]([O-])=O)CC1)COC(=O)NCCCN1CCN(CCCNC(=O)C2=CC(=CC(O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)=C2)[N+]([O-])=O)CC1
DB02576	C[C@H](O)C[NH3+]
DB02578	[H]N([H])CC(=O)N([H])[C@@H](CCCCC(=O)N([H])[C@H](C)C(=O)N([H])[C@H](C)C(O)=O)C(O)=O
DB02579	OC(=O)C=C
DB02580	COCCOCCOCCOCCOCCOC
DB02581	CC(C)C[C@@H](NC(N)=N)C(=O)NCC(=O)N1CCC(CC1)C1=CC(=NN1C)C1=CC=C(OCC2=CC=C(O2)C(O)=O)C(Cl)=C1Cl
DB02583	COC1=CC(CN(C)C2=CC3=C(N=C2)N=C(N)N=C3N)=C(OC)C=C1
DB02585	NC(=N)C1=CC=C(CO)C=C1
DB02586	CC1=CC=NC2=C3N=CC=C(C)C3=CC=C12
DB02587	[H][C@]1(O)CCC(C)(C)[C@]2([H])[C@]([H])(O)[C@]([H])(OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]12C)C=C
DB02588	COC(NC(=O)[C@@H](C(O)=O)C1=CC=C(O)C=C1)(C=O)[C@H]1OCC(=C)C(=N1)C(O)=O
DB02589	CC[Se]C(N)=N
DB02590	[H][C@@]1(O)C[C@@]([H])(O)[C@@]([H])(O)O[C@]1([H])C
DB02591	CC1=CC2=C(C=C1C)N=CN2
DB02592	[H][C@@]1(O)C[C@@](O)(C[C@]([H])(CP(O)(O)=O)[C@@]1([H])O)C(O)=O
DB02593	[H][C@]1(C)CC2=C(C(=O)C3=C(O2)C=C(O)C(O)=C3C(O)=O)[C@]([H])(OC)O1
DB02594	NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](CO)O1
DB02595	[H]N(CCS(O)(=O)=O)C(=O)[C@@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](OS(O)(=O)=O)[C@H](O)[C@H]2N([H])C(C)=O)[C@@H](CO)[N+]1([H])[H]
DB02596	[H][C@]1(COP(O)(=O)CP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O
DB02597	[H][C@@](C)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(=O)[C@@]([H])(S)CCCCC)C(O)=O
DB02598	CC(=O)N[C@@H](CC1=CC(I)=C(O)C(I)=C1)C(=O)NCC(O)=O
DB02599	CCCSCC1=CC(N)=CC2=C1N=C(N)NC2=O
DB02600	CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O
DB02602	COC1=CC(=CC=C1)N1CCC2=C(SC(=C2)S(N)(=O)=O)S1(=O)=O
DB02603	NC1=NC(OCC2CCCCC2)=C2N=CNC2=C1
DB02604	O[C@H]1C[C@@H](O)[C@H](O)[C@@H](COP(O)(O)=O)O1
DB02606	CC[C@@H](C)O
DB02607	[H][C@]1(COC(=O)CP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O
DB02608	[H]N([C@H](CO)[C@H](O)C1=CC=C(C=C1)[N+]([O-])=O)C(C)=O
DB02609	N[C@@H]([C@H](O)COP(O)(O)=O)C(O)=O
DB02610	NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=C(F)C(F)=C(F)C(F)=C1F
DB02611	[H][C@]1(CNCCC[C@@]1([H])OC(=O)C1=CC=C(O)C=C1)NC(=O)C1=CC=C(O)C=C1
DB02613	CCCCCCCCCC[N+](C)(C)[O-]
DB02614	[H][C@@](CC1=CC=CC(=C1)C(O)=O)(NC(C)=O)B(O)O
DB02615	[H][C@@](C)(COC1=CC=C(C=C1)[C@]1([H])OC2=C(S[C@]1([H])C1=CC=C(O)C=C1)C=C(O)C=C2)N1CCCC1
DB02616	NC(N)=NC1=NC(=CS1)C1=CC=C(CNC2=NC3=C(N2)C=CC=C3)S1
DB02617	CCCCCC[C@](O)(CN1C=CN=C1)C1=CC=C(Cl)C=C1Cl
DB02620	CC(=O)NCCSSCCNC(=O)C1CCC(CC1)NC(=O)C1=NC=CN=C1C(O)=O
DB02621	[H][C@]1(CSC(=O)N1)[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)\C=C/C=C/CC\C(C)=C/C(=O)O2)O1
DB02622	OC(=O)C(=O)NC1=C(C=CC=C1)C(O)=O
DB02623	[H]N([H])C1=NC(=O)C2=C(N1[H])N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)N([H])[H])[C@@H](O)[C@H]1O
DB02624	N[C@@H]1CCOC1=O
DB02625	[H][C@@](CCCC)(CN(O)C=O)C(O)=O
DB02626	[Fe].CC(=[OH+])N(O)CCC[C@@H]1NC(=O)CNC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CNC(=O)[C@H](CCCN(O)C(C)=[OH+])NC(=O)[C@H](CCCN(O)C(C)=[OH+])NC1=O
DB02627	OB(O)C1=CC=C(C=C1)C1=CC=C(C=C1)B(O)O
DB02628	[H][C@@](C)(NC)C(=O)N[C@]([H])(C(=O)N1CCC[C@@]1([H])C(=O)N[C@]1([H])CCCC2=C1C=CC=C2)C(C)(C)C
DB02629	O[C@H]([C@@H](O)[C@@H](OCC1=C(F)C=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=CC=CC=C12)[C@@H](OCC1=CC=CC=C1F)C(=O)N[C@@H]1[C@H](O)CC2=C1C=CC=C2
DB02630	OC[C@@H](O)[C@H](O)[C@@H](O)COP(O)(O)=O
DB02632	[H][C@]1(CO)O[C@@]([H])(OC2=CC=C(C=C2)N(=O)=O)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O
DB02633	NC1=C(C=C(NC2=CC=C(NC3=NC(Cl)=NC(NC4=CC=CC=C4S(O)(=O)=O)=N3)C(=C2)S(O)(=O)=O)C2=C1C(=O)C1=CC=CC=C1C2=O)S(O)(=O)=O
DB02635	[H][C@](C)(CC)[C@@]([H])(NCC1=C(COP(O)(O)=O)C=NC(C)=C1O)C(O)=O
DB02636	COC1=C(O)C=CC2=C1C=C(C1=C2C2=C(OCO2)C=C1C(O)=O)[N+]([O-])=O
DB02637	OC(=O)C(=O)CC([O-])=O
DB02638	NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
DB02640	CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)\C=C\C=C\C=C\C=C\C(O)=O
DB02641	CCCCCCC(N)=O
DB02642	OP(O)(=O)CNC(=O)OCC1=CC=CC=C1
DB02643	CCCCCCCCCCCC[N+](C)(C)CCCS(O)(=O)=O
DB02644	[H]N([H])[C@@H](CCCN([H])C(\N([H])[H])=[N+](/[H])CCC)C(O)=O
DB02645	[H][C@]1(CCO[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)CO1
DB02646	CCN=O
DB02647	O=C(NC1=CC(=NN1)C1CC1)C1=CC=CC=C1
DB02648	C[N+](C)(C)C[C@H](O)CC(O)=O
DB02649	NC(=O)CC(O)=O
DB02651	OP(O)(=O)C(F)(F)C1=CC=C(CC(CC2=CC=C(C=C2)C(F)(F)P(O)(O)=O)(N2N=NC3=C2C=CC=C3)C2=CC=C(F)C(F)=C2)C=C1
DB02652	[H]N(O)C(=O)N([H])[C@@H](CC1=CC=CC=C1)C(O)=O
DB02655	N[C@H](CC(O)=O)C(O)=O
DB02656	O=C1C=C(OC2=C1C=CC=C2C1=CC=CC=C1)N1CCOCC1
DB02657	N[C@H]1[C@@H](O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O
DB02658	[H][C@]1(CO)O[C@@]([H])(OC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)[C@]([H])(F)[C@@]([H])(O)[C@]1([H])O
DB02659	[H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C
DB02660	COC1=CC=C(C=C1OC1CCCC1)C(\C)=N\OC(N)=O
DB02661	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)OP(O)(O)=O)[C@H]2O[V](=O)(=O)O[C@H]12
DB02662	OC(=O)C(=O)NC1=C(C=C(I)C=C1)C(O)=O
DB02663	C[P@@](O)(=O)CC[C@@H](N)C(O)=O
DB02664	CCCCB(O)O
DB02665	[NH3+][C@@H]1C[C@H]1C1=CC=CC=C1
DB02666	[H]N1C(=O)N(CCC[C@@H](N(O)CO)C(O)=O)C(=O)[C@]11O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
DB02668	CC1=CC=CC=C1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CC=CC(O)=C1C
DB02669	[H][C@](S)(CC1=CC=CC=C1)C(=O)NCC(=O)N1[C@@]([H])(CC[C@]1([H])C1=CC=CC=C1)C(O)=O
DB02670	[H][C@]1(O)C[C@@]([H])(CO)O[C@]([H])(O)[C@]1([H])O
DB02671	CN1C=C[NH+]=C1
DB02673	COC1=CC=C2C=[N+](CCCCCCCCN3C(=O)C4=C(C=CC=C4)C3=O)CC[C@@]34C=C[C@H](O)C[C@@H]3OC1=C24
DB02674	[H][C@]12CS[C@@]([H])(CCCC(O)=O)[C@@]1([H])NC(=O)N2
DB02676	OCC(CO)(CO)NCCCNC(CO)(CO)CO
DB02677	CC(=O)N[C@H](CC1=CC=CC2=C1C=CC=C2)[B-](O)(O)OC[C@H](N)C(O)=O
DB02678	N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O
DB02679	NC#N
DB02680	[O-][N+](=O)C1=CC(=CC=C1)[N+]([O-])=O
DB02681	[O-][V](=O)[O+]([V](=O)O[V](=O)(=O)O[V](=O)(=O)[O+]([V]([O-])=O)[V](=O)(=O)=O)[V](=O)(=O)=O
DB02683	[H][C@@](O)([C@@]([H])(O)[C@@]([H])(OCC1=CC=C(C=C1)C1=CN=CC=C1)C(O)=N[C@@]([H])(C(C)C)C(O)=NC)[C@@]([H])(OCC1=CC=C(C=C1)C1=CN=CC=C1)C(O)=N[C@@]([H])(C(C)C)C(O)=NC
DB02684	[H]N([H])[C@@H](CS)C(=O)N([H])S(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N=CN=C12)N([H])[H]
DB02685	CC1=CC=CC(C[C@H](N)C(O)=O)=C1
DB02686	[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@]([H])(O[C@@]2([H])[C@]([H])(O)[C@@]([H])(O)[C@]([H])(OCCCCCCCCCCC)O[C@]2([H])CO)[C@]1([H])O
DB02688	NC(=C)C(O)=O
DB02689	[H][C@](N)(CSCCS(N)(=O)=O)C(O)=O
DB02690	CC1=NC2=C(C=CC=C2O)C(=O)N1
DB02691	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCC([O-])=O
DB02693	[H][C@@]1(O)CSSC[C@@]1([H])O
DB02694	[H][C@](O)(C(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O)C(C)(C)CO
DB02695	[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@]([H])(OCCCCC)[C@@]1([H])O
DB02696	[H]N([H])CCCCCCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)N([H])C1=O
DB02697	CC(C)[C@@H](N)C(=O)NO
DB02698	OC(=O)C1=CC=CC2=C1OC1=C(C=CC=C1C(O)=O)N2C1=CC(=CC=C1)C(F)(F)F
DB02699	C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C
DB02700	[H][C@@]1(N)C[C@]([H])(O)[C@@]([H])(CO)O[C@]1([H])O
DB02701	NC(=O)C1=CC=CN=C1
DB02702	[H][C@]1(CC2=CC=CC=C2)N(CC2=CC(=CC=C2)C(=O)NC2=NC=CS2)C(=O)N(CC2=CC(=CC=C2)C(=O)NC2=NC=CS2)[C@]([H])(CC2=CC=CC=C2)[C@]([H])(O)[C@@]1([H])O
DB02703	O[C@@H]1CC[C@@]2(C)[C@@]([H])(CC[C@@]3(C)[C@@]2([H])[C@H](O)C[C@@]2([H])\C([C@@H](OC(=O)C)C[C@]32C)=C(/CCC=C(C)C)C(O)=O)[C@@H]1C
DB02704	O[C@@H]([C@H](O)[C@@H](CCC1=CC=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=C1C=CC=C2)[C@@H](CCC1=CC=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=C1C=CC=C2
DB02705	[H][C@]1(NCCC2=C1C=C(NC(=O)C1=CC=C3C=C(C=CC3=C1)C(N)=N)C=C2)C(C)C
DB02706	[H][C@](CS)(CCC1=CC=CC=C1)C(=O)N=C(C(O)=O)C1=CC=C(CN2C=NN=N2)S1
DB02709	OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1
DB02710	[H][C@@](CO)(NC(=O)C1=C(O)C(O)=CC=C1)C(O)=O
DB02711	OC[C@@H](O)[C@H](O)[C@@H](O)CN1C(=O)N(CCCCOP(O)(O)=O)C2=C1NC(=O)NC2=O
DB02712	FC1=CC=C2OCC[C@]3(NC(=O)NC3=O)C2=C1
DB02713	CC(=O)NCC(O)=O
DB02714	OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=CC(=O)NC1=O
DB02715	[H][C@](C)(COC1=CC=C(C=C1)[C@]1([H])OC2=C(S[C@]1([H])C1=CC=C(O)C=C1)C=C(O)C=C2)N1CCCC1
DB02716	C[N+]1=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C2=C1C(=O)NC(N)=N2
DB02717	[H][C@@]1(O)O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O
DB02719	[H]N([H])C(=O)[C@]1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
DB02720	[H]N([H])C(=O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
DB02721	IC1=CNN=C1
DB02722	CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)O[C@@H]1C(O)=O
DB02723	O\N=C(/N)N1CCC(CC1)CNC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)S(=O)(=O)CC1=CC=CC=C1
DB02724	O1N2C(=[O+][Fe-3]1134ON(C(=[O+]1)C)CCC[C@](C(=O)N[C@@](C(=O)N[C@@](C(O)=O)([C@@]([C@]1(S[C@@](N5C=C\C(=N\C(N)=O)N(C5=O)C)([C@@]([C@]1([H])O)([H])O)[H])[H])([H])O)[H])([H])CO)([H])NC([C@@]([H])(CCCN(O3)C(=[O+]4)C)NC([C@]([H])(N)CCC2)=O)=O)C
DB02725	[H][C@](N)(CC[C@@]1([H])C=CC([H])(N)C=C1)C(O)=O
DB02726	OC(=O)COP(O)(O)=O
DB02727	CCCC\N=C(/N)NO
DB02728	CCOC(=O)C1=CC2=CC=C(O)C=C2OC1=O
DB02729	O[C@@H]1[C@@H](O)[C@@H](CC2=CC=CC=C2)N(CC2=CC=CC(=C2)C(=O)NC2=NC3=C(N2)C=CC=C3)C(=O)N(CC2=CC(=CC=C2)C(=O)NC2=NC3=C(N2)C=CC=C3)[C@@H]1CC1=CC=CC=C1
DB02730	[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(SC)[C@]([H])(O)[C@@]1([H])O
DB02731	CC[Hg]SC1=CC=CC=C1C(O)=O
DB02733	[H][C@@](CO)(NC1=NC2=C(N=CN2C(C)C)C(NC2=CC=C(C(O)=O)C(Cl)=C2)=N1)C(C)C
DB02734	[H][C@@]1(O)OC(=C[C@]([H])(O)[C@]1([H])O)C(O)=O
DB02735	[H][C@@](N)(C(O)=O)[C@@]([H])(O)OS(O)(=O)=O
DB02736	CC(N)=O
DB02738	NC1=C2N=CN([C@@H]3O[C@H](CO[P@@](O)(=O)O[P@](O)(=O)O[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1
DB02740	OC(=O)CCCC1=CNC2=C1C=CC=C2
DB02741	CC1(C)CCC(C)(C)C2=C1C=CC(=C2)C(=O)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O
DB02742	[H][C@]12NC(=O)C(=O)N1[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]2([H])O
DB02743	[H][C@@]1(O)O[C@]([H])(CO)[C@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O
DB02744	NC(=N)C1=CC=C(O)C(CN2CC[C@H](NS(=O)(=O)C3=CC4=C(S3)C=CC=N4)C2=O)=C1
DB02745	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O
DB02746	OC(=O)C1=CC=CC=C1C(O)=O
DB02749	OC(=O)C1=CC(C(O)=O)=C(C=C1C(O)=O)C(O)=O
DB02750	C[Hg]SC[C@@H](N)C(O)=O
DB02751	NC(N)=NCC(O)=O
DB02752	[H][C@@]1(CCCN1S(=O)(=O)C1=CC=C(C)C=C1)C(O)=O
DB02753	[H][C@]1(CO)O[C@@]([H])(N2C=NC3=C2N=CN=C3[SeH])[C@]([H])(O)[C@]1([H])O
DB02754	CCCCN1C(CC2=CC(OC)=C(OC)C(OC)=C2)=NC2=C(N)N=CN=C12
DB02755	[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O[C@@]3([H])O[C@]([H])(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@]3([H])O)[C@]2([H])O)[C@]1([H])O
DB02756	O=C1CCC2=CC=CC3=C2N1CC3
DB02757	N1C=CC=N1
DB02758	OC(=O)CCC1=CNC2=CC=CC=C12
DB02759	[H]N([C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](OC3=CC4=C(C=C3)C(C)=CC(=O)O4)[C@H](N([H])C(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(C)=O
DB02761	N[C@@H](CSS)C(O)=O
DB02762	OP(O)(=O)OC1=CC=CC2=CC=C(N=C12)C#N
DB02763	OC(=O)C1=CC(S)=CC=C1[N+]([O-])=O
DB02765	C[C@@H](O)CN1C=NC2=C1N=CN=C2N
DB02766	[O-]\C(OCC1=CC=CC=C1)=N/[C@H](CC1=CC=CC=C1)C(=[OH+])C[N+]#N
DB02767	[H][C@@](O)(CCCCCCCCCCC)CC(O)=O
DB02768	CC(C)(C)OC=O
DB02770	[H]N([H])C1=NC=C2N(C=NC2=N1)[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
DB02772	OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
DB02773	CCCOC1=CC=C(CC(O)=O)C=C1Cl
DB02774	OCCCO
DB02776	CCCCCCCCCCCCCCCCS(O)(=O)=O
DB02778	[H][C@]1(O)[C@]([H])(O)[C@]([H])(COP(O)(O)=O)O[C@]1([H])COP(O)(O)=O
DB02779	CCCCCCCCCCCC[N+](C)(C)C
DB02780	[H][C@](N)(CS)CC(O)=O
DB02783	CC1=NC=C(COP(O)(O)=O)C(CNOCC(O)=O)=C1O
DB02784	[H]N(CCC(=O)N([H])[C@@]([H])(CO)C(=O)N([H])CCC1=CC=C(C=C1)N([H])C(=O)C(O)=O)C(=O)CBr
DB02785	[H]N([C@H]1[C@@H](C)CC[C@H]1O)C(=O)[C@@H](C[C@H](O)CN1CCN(C[C@H]1C(=O)N([H])C(C)(C)C)C(=O)C1=CN=C(N2CCN(C)CC2)C(Cl)=N1)CC1=CC=CC=C1
DB02786	[H][C@@]1(O)C[C@@](O)(C=C(F)[C@@]1([H])O)C(O)=O
DB02787	[H][C@@](C)(O)N[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)CO
DB02789	[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C
DB02790	[H]N1C(=O)C=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OC3=CC=CC=C3)[C@@H](O)[C@H]2O)C1=O
DB02793	[H][C@]1(O)C(=CC=C[C@]1([H])OC(=C)C([O-])=O)C([O-])=O
DB02794	[H]N([H])C1=NC(=O)C2=C(C=CC(CC(O)(CN([H])CC(=O)N([H])[C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C3=CC=C(C=C3)C(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)=C2)N1[H]
DB02795	COC1=CC=C(C=C1)C(O)=O
DB02796	[H]N1C=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=CN2[H]
DB02797	OB(O)C1=CC=CC(=C1)[N+]([O-])=O
DB02798	[H][C@]1(COP(C)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O
DB02799	CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)N\C=C/N1C(=O)CCC1=O)C(=O)O2
DB02800	NC1=NC2=C(N(CO)[C@@H](CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C=N2)C(=O)N1
DB02801	[H][C@@]1(O)C[C@@](O)(C=C[C@@]1([H])O)C(O)=O
DB02802	[H]N([H])C(=O)C1=CC(=CC(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=C1)[N+]([O-])=O
DB02803	OC[C@@H](O)CC1=CC=CC=C1
DB02804	[H][C@@]1(O)CN(CC2=CC=CC=C2)N(CC2=CC(OC)=C(O)C=C2)C(=O)N(CC2=CC(OC)=C(O)C=C2)[C@]1([H])CC1=CC=CC=C1
DB02805	[H]N1C(=O)C=CN([C@@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@@H]2O)C1=O
DB02806	COCCO
DB02809	COC1=CC(CC2=C[NH+]=C(N)N=C2N)=CC(OCCC[C@@H](CCC([O-])=O)C([O-])=O)=C1Br
DB02810	NC(=O)CN(CC(O)=O)CC(O)=O
DB02811	CCOP(=O)OCC
DB02812	[H]N([H])C(=NCCC[C@H](N([H])C(=O)[C@@H]1C[C@@H](O)CN1C(C)=O)C(=O)C1=NC2=CC=CC=C2S1)N([H])[H]
DB02813	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1=O
DB02816	[H][C@@]1(SC=C(NC=C1C=O)C(O)=O)C1=CN(C)N=N1
DB02817	[H][C@@]1(O)C[C@@]2(C)C(=O)C[C@]1([H])C2(C)C
DB02818	N[C@@H](CN1C=C(I)C(=O)NC1=O)C(O)=O
DB02819	[H][C@]1(COP(O)(O)=O)O[C@]([H])(N2C=NC3=C2C=CC(C)=C3)[C@]([H])(O)[C@]1([H])O
DB02820	[H][C@@](N1C=NC2=NN(C=C2C1=S)[C@@]1([H])C=CN(C=C1C([O-])=N)[C@]1([H])O[C@]([H])(COP([O-])(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])([O-])[C@]2([H])[O-])[C@@]([H])(O)[C@@]1([H])O)(C(=O)N1CCCCCC1)C1=CC=CC=C1
DB02821	NOCC[C@H](N)C(O)=O
DB02822	OCC1=CC=C(Br)C=C1
DB02823	OC(=O)CP(O)(O)=O
DB02824	CC1=NC=C(COP(O)(O)=O)C(CNCC(O)=O)=C1O
DB02825	CP([O-])=O
DB02827	[H][C@@]1(COC2=NS(=O)(=O)C3=C2C=CC=C3)OCCC2=C1SC(NC(=O)C(O)=O)=C2C(O)=O
DB02828	OC(=O)CCC(=O)CF
DB02829	CC(=O)NC1=CC=C(C=C1NC(=O)C[NH3+])C(O)=O
DB02830	[H][C@](CO)(CCN1C=CC2=C1C=C(NC(=O)NCC1=CC=CC=C1)C=C2)N1C=NC(=C1)C(N)=O
DB02831	[H]OP([O-])(=O)O[H]
DB02832	C[C@@]1(CC(O)=O)C2=CC3=C(CC(O)=O)C(CCC(O)=O)=C4C=C5N6C(=CC7=C(CCC(O)=O)[C@](C)(CC(O)=O)C8=CC(N2[Fe@]6(N34)N78)=C1CCC(O)=O)C(CC(O)=O)=C5CCC(O)=O
DB02833	CC1=C(SC(N)=N1)C1=NC(NC2=CC=CC(=C2)[N+]([O-])=O)=NC=C1
DB02834	OC(=O)COC1=CC(F)=CC=C1C(=O)NCC1=NC2=C(S1)C(F)=CC(F)=C2F
DB02835	O[C@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H](OP(O)(O)=O)[C@@H]1O
DB02836	[H]N([H])C1=NC(=O)C2=C(N1[H])N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@]2([H])O[P@](O)(=O)O[C@@]12[H]
DB02837	[H][C@@]1(O)O[C@]([H])(CO)[C@]([H])(OS(O)(=O)=O)[C@]([H])(O)[C@@]1([H])O
DB02838	[O-]C(=O)C1=[NH+]CCC1
DB02839	OC(=O)C1=CC=C(O)C=C1O
DB02840	CCC1=C(O)C=C(O)C(=C1)C1=NNC(C(O)=O)=C1C1=CC=C2OCOC2=C1
DB02841	CCOC1=C(C(=O)NCB(O)O)C2=C(C=CC=C2)C=C1
DB02842	CN(C)CCCNC(=O)C1=CC=CC2=C(N)C3=C(C=CC=C3)N=C12
DB02843	OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
DB02844	[H][C@]1(CSC(CCCCCN)=CCN)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O
DB02845	CP(O)=O
DB02846	[H][C@]1(CSCN1)C(O)=O
DB02848	CCOC1=C(OCC)C=C2C(NC3=CC=CC(=C3)C3=CSC(CO)=N3)=NC=NC2=C1
DB02849	CC1=NC=C(COP(O)(O)=O)C(CNC2(CC2)C(O)=O)=C1O
DB02850	COC1=CC=C(C=C1)C1=C(C)C(=CC=C1S(C)(=O)=O)C(=O)C1=C(O)N(N=C1)C(C)(C)C
DB02851	[H][C@@]12CC[C@@](C)(C(=S)C1)C2(C)C
DB02852	[H]\C(\C(\[H])=C(\C)[C@@]1([H])CN[C@]([H])(C(O)=O)[C@@]1([H])CC(O)=O)=C(\[H])[C@@]([H])(C)C(O)=O
DB02854	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@]([H])(O)CC[C@]12C
DB02855	[H][C@](O)(CC(=O)N[C@]([H])(C(=O)N1CCC[C@@]1([H])C(O)=O)[C@@]([H])(C)CC)C(=O)NCCC
DB02856	CCOC(=O)NC
DB02857	NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1
DB02858	OB(O)C1=CC(NS(=O)(=O)C2=CC(=CS2)S(=O)(=O)C2=CC=CC=C2)=CC=C1
DB02859	[H]\C1=C([H])/[C@@]([H])(OC)[C@]([H])(CCCC[C@]([H])(OC(=O)[C@@]([H])(C)[C@@]2(O)O[C@]([H])([C@@]([H])(C)[C@]([H])(O)[C@@]2([H])OC)[C@@]1([H])C)C1=CC=CC=C1)OC
DB02860	[H][C@@]1(O[C@]2(C[C@@H](O)[C@H](C)[C@H](C\C=C\C3=COC(=N3)[C@@H](C)CCNC(=O)[C@@H](O)[C@@H](O)[C@H](COC)N(C)C)O2)C(C)(C)[C@H]1OP(O)(O)=O)[C@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C/C#N)OC
DB02861	NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=CC(F)=C(F)C(F)=C1
DB02865	N[C@H]1[C@H](O)O[C@H](CO)[C@@H](OP(O)(O)=O)[C@@H]1O
DB02866	CN(C)C1=C2C=CC=C(C2=CC=C1)S(N)(=O)=O
DB02867	OC[C@H]1OC(OP(O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O
DB02868	[H][C@@]12N(C)C3=CC(OC)=C(C=C3[C@@]11CCN3CC=C[C@@](CC)(C[C@@]22OC(=O)N(CCCl)C2=O)[C@@]13[H])[C@]1(C[C@@]2([H])CN(C[C@](O)(CC)C2)CCC2=C1NC1=CC=CC=C21)C(=O)OC
DB02869	[H][C@](N)(CCC1=CC=CC=C1)C=CS(=O)(=O)C1=CC=CC=C1
DB02870	C=CCNC1=CC=CC=C1
DB02871	[H][C@]1(CCCC)CC[S@](=O)C1
DB02872	[H][C@]1(N=C(N(C(=O)N2CCN(CCO)CC2)[C@]1([H])C1=CC=C(Br)C=C1)C1=C(OCC)C=C(OC)C=C1)C1=CC=C(Br)C=C1
DB02873	FC1=CC=C(C(F)=C1)C1=C2CNC(=O)N(C2=CC(=C1)N1CCNCC1)C1=C(Cl)C=CC=C1Cl
DB02875	NC(=[NH2+])C1=CC=C2NC(=NC2=C1)C1=CC(F)=CC=C1[O-]
DB02876	[H]C(=C([H])C(\CS(=O)=O)=C(\NC1=C(C=O)C=C2C=CC=CN12)C(O)=O)C(O)=N
DB02877	C\C(=C/C1=CC=C(C=C1)C(O)=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C
DB02878	[H][C@](CN)(CCC(O)=O)[C@]([H])(CCN)CC(O)=O
DB02879	[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(OS(O)(=O)=O)[C@@]1([H])OS(O)(=O)=O
DB02883	NC1=NC(=O)N(C=C1)[C@H]1CC[C@@H](COP(O)(O)=O)O1
DB02884	N[C@@H](CC1CCCCC1)C(O)=O
DB02885	FC(F)(F)C1=NC(=N)C(=C)C=N1
DB02887	CC1=CN([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@](O)(=O)OP(O)(O)=O)C=C2)C(=O)NC1=O
DB02888	COC1=CC(=CC(OC)=C1OC)C(F)(F)C(=O)N1CCCC[C@H]1C(=O)O[C@@H](CCCC1=CC=CC=C1)CCCC1=CN=CC=C1
DB02889	[H][C@]1(C)O[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N[C@@]1([H])C=C(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O
DB02890	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C(=O)NC(=O)C=C1O
DB02892	N[C@@H](CCCC(=C)C(O)=O)C(O)=O
DB02893	CSCC[C@@H](N)C(O)=O
DB02894	[H][C@@]12CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@]3([H])[C@]1([H])OS(=O)(=O)O2
DB02895	S\C=C\C[S@](=O)CC=C
DB02896	CSC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
DB02897	CC(=O)OP(O)(O)=O
DB02898	NC1=NC2=C(N=CN2)C(OC[C@H]2CCC(=O)N2)=N1
DB02899	[H][C@@](CCSC)(NC(O)=O)C(O)=O
DB02900	[H][C@]1(O)O[C@]([H])(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@]1([H])O
DB02901	[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C
DB02902	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](OP(O)(O)=O)[C@H]1O
DB02903	NC(CO\C(O)=N\CCNC1=C(NCCCN2CCN(CCC\N=C(/O)C3=CC(=CC(OC4OC(CO)C(O)C(O)C4O)=C3)[N+]([O-])=O)CC2)C(=O)C1=O)CO\C(O)=N\CCNC1=C(NCCCN2CCN(CCC\N=C(/O)C3=CC(=CC(O[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)=C3)[N+]([O-])=O)CC2)C(=O)C1=O
DB02904	[H][C@](CN)(CO)C(O)=O
DB02905	O[C@@H]1[C@@H](COP(O)(O)=O)O[C@@H]([C@@H]1O)N1C=NC2=C1C=NC(=O)N2
DB02906	[H][C@@]1(C)C(=O)C[C@@]([H])(CC(O)O)C1(C)C
DB02907	N\C=C\OP(O)(O)=O
DB02908	OP(O)(=O)C(C1=CC=CC=C1)P(O)(O)=O
DB02909	OC(=O)C1=CC=C(O1)C1=CC=CC=C1Cl
DB02910	CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N
DB02911	[H][C@]1(CNC2=C(N1)C(N)=NC(N)=N2)C1=CC=CC=C1
DB02912	CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N
DB02915	CC1=NC(C)=C(S1)C1=CC=NC(NC2=CC=C(C=C2)C(F)(F)F)=N1
DB02917	CN(C1=CC=C(C=C1)C(=O)NO)S(=O)(=O)C1=CC=C(S1)C1=NC=CC=C1
DB02918	COC1=CC(=CC=C1OC(F)F)C1=NNC(=O)C=C1
DB02919	COC1=CC(CN(C)C2=CN=C3N=C(N)N=C(N)C3=C2)=CC(OC)=C1OC
DB02921	CC1=CN(C(=O)NC1=O)[C@]12C[C@H]1[C@H](CO)[C@@H](O)C2
DB02923	OC1=C(O)C(=CC=C1)C1=CC=CC=C1
DB02924	CC(=C)[C@@H]1CC[C@@]2(C)O[C@H]2C1
DB02925	NS(=O)(=O)C1=CC(=CC(N2CCCC2)=C1OC1=CC=CC=C1)C(O)=O
DB02927	C[C@H](N)[C@@H](CCCCCC(O)=O)NC(=O)OP(O)(O)=O
DB02928	N[C@@H](CC1=CC(N)=C(O)C=C1O)C(O)=O
DB02929	COC1=CC2=C(SCCN(C2)C(=O)CCN2CCC(CC3=CC=CC=C3)CC2)C=C1
DB02930	[H][C@]1(COP(O)(=O)OP(O)(=O)OP(O)(O)=S)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O
DB02931	[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSCC(=O)N([H])CCC4=CN([H])C5=CC=CC=C45)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1
DB02932	C[C@](O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F
DB02933	[H][C@]1(CSC)O[C@@]([H])(N2C=CC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O
DB02934	[H][C@@](C)(O)[C@@]1([H])O[C@@]([H])(N2C=NC3=C(C)N=CN=C23)[C@]([H])(O)[C@]1([H])O
DB02935	COCCOCCOC
DB02936	CC1=C(CC(N)=O)C2=C(C=CC(OCCCC(O)=O)=C2)N1CC1=CC=CC=C1
DB02937	[H][C@]1(COP(O)(=O)OP(O)(=O)C[As](O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O
DB02938	CCCCCCC(O)=O
DB02940	[H][C@@]1(CSC(=N1)C(\N)=C\C)C(O)=O
DB02941	[H][C@@](C)(N)[C@@]([H])(CCCCCC(O)=O)CC(O)=O
DB02942	O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](OP(O)(O)=O)[C@@H]1O
DB02943	[H]N([H])CCCC(=O)N([H])[C@@H](CSCC1=CC=C(OC)C=C1)C(=O)N([H])CC(O)=O
DB02945	[H][C@@]1(O)O[C@@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O
DB02947	[H][C@]1(O)C[C@@]([H])(O[C@]1([H])CO)N1C=NC2=C(N)N=C(F)N=C12
DB02948	ON(CCCP(O)(O)=O)C=O
DB02949	CC1=C2C=C3[C@@H](C(O)=C)C(C)=C4C=C5N6C(=CC7=C(CCC(O)=O)C(C)=C8C=C([C@@H]1C=C)N2[Fe@@]6(N34)N78)C(CCC(O)=O)=C5C
DB02950	[H][C@@]12C=C(Br)N=C1C(=O)NCC[C@]2([H])C1=NC(N)=NC1=O
DB02951	OCC(=O)C(O)=O
DB02952	CC(C)(N)C(O)=O
DB02953	[H][C@](CS)(CC1=CC=CC=C1)C(O)=O
DB02954	ON(CC(O)=O)C(O)=O
DB02955	[H]\C(CCCCCCCC(O)=O)=C(/[H])C[C@]([H])(O)CCCCCC
DB02956	[S-]SSS[S-]
DB02958	[H][C@](N)(CC[Se](C)=O)C(O)=O
DB02959	N[C@@H](CC1=CNC2=C1C=C(O)C=C2)C(O)=O
DB02961	[H][C@@](C)(O)[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(O)C=O
DB02962	N1C=NC2=CC=CC=C12
DB02963	CS(=O)(=O)C1=CC=C(NC2=CC(Cl)=NC3=CC=NN23)C=C1
DB02964	OC[C@H]1O[C@@]2(NC(=S)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O
DB02965	[H][C@](N)(CCCN[P@@](N)(=O)NS(O)(=O)=O)C(O)=O
DB02966	N[C@@H](CN1C=C(F)C(=O)NC1=O)C(O)=O
DB02967	CCN1C(=O)C=CC1=O
DB02968	[H][C@](N)(COC(=O)[C@@]([H])(N=C([O-])CC1=CC=CC=C1)[C@]1([H])N[C@@]([H])(C(O)=O)C(C)(C)S1)C([O-])=O
DB02969	CC1=C(CCO)SC=N1
DB02970	CCCC1=CC=CC=C1N
DB02972	CC[C@H](N)CC1=CC=CC=C1
DB02973	NS(=O)(=O)C1=CC=C(C=C1)\N=N\C1=C2C=C(Br)C=CC2=NC1=O
DB02974	ClC1=CC=C(C=C1)C1=CN=CN1
DB02975	[H][C@]1(NC(=O)CNC(=O)C2=C(COC)SC(=N2)[C@@H](NC(=O)C2=C(C)SC(=N2)[C@H](CC(=O)NC)NC(=O)C2=CSC(=N2)C2=CC=C(N=C2C2=CSC(=N2)C2=CSC1=N2)C1=NC(=CS1)C1=N[C@@H](CO1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C)[C@@H](O)C1=CC=CC=C1
DB02976	[H]N1C(=O)C=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@]3([H])F)[C@@H](O)[C@H]2O)C1=O
DB02977	[H][C@@](O)(N[C@@]([H])(CC1=CC=CC=C1)[C@]([H])(O)N[C@@]([H])(CC1=CC(C(O)=O)=C(OCC(O)=O)C=C1)[C@@]([H])(O)NCCCCC)OC(C)(C)C
DB02979	CS\C(N)=N\CCCCCCCCCCCCCC\N=C(/N)SC
DB02980	[H]N1C(=O)N(C=C(C)C1=O)[C@H]1C[C@H](O)[C@@H](COP(O)(S)=S)O1
DB02981	[H][C@@](CCCC)(NCC1=C(COP(O)(O)=O)C=NC(C)=C1O)C(O)=O
DB02983	OS(=O)(=O)C1=CC=C([Hg])C=C1
DB02984	COC1=CC2=NC=NC(NC3=CC(SC)=CC=C3)=C2C=C1OC
DB02985	NC1=NC(=O)C2=C(N1)N=C(I)N2
DB02986	NS(=O)(=O)C1=CC=C(S1)S(=O)(=O)NCC1=CC=CS1
DB02987	N[C@@H](CSCC(N)=O)C(O)=O
DB02988	[H]N=C(CC1=CNC2=CC=CC=C12)C(O)=O
DB02989	CC(C)COC1=CC=CC(C2=NC3=C(N2)C=C(Cl)C(=C3)C(N)=N)=C1O
DB02990	CCCCCCCCCCCCCCCC(=O)SCCNC(C)=O
DB02991	CCS\C(N)=N\C1=CC=C(C=C1)C(F)(F)F
DB02992	[H][C@@](O)(CNCP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)COP(O)(O)=O
DB02994	C[As](C)(O)=O
DB02995	[NH3+]C1CCCCC1
DB02996	[H][C@](CS)(CC(C)C)C(O)=O
DB02998	[H][C@@]12CC[C@](C)(O)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H]
DB02999	N[C@@H](CN1OC(=O)NC1=O)C(O)=O
DB03000	[H][C@@](C)(O)CN1C=NC2=C(N)N=CN=C12
DB03003	[H]N([H])[C@@H](CCC(=O)N([H])[C@@H](CS(O)(=O)=O)C(=O)N([H])CC(O)=O)C(O)=O
DB03005	NC1=CC2=C(C=C1)C1=CC=C(N)C=C1C(C1=CC=CC=C1)=[N+]2CCCCCCC1=CN=NN1CCNC1=C2CCCCC2=NC2=C1C=CC=C2
DB03006	NC1=CC=C(C=C1)[As](O)(O)=O
DB03008	[H][C@]1(O)[C@@]([H])(O)[C@]([H])(O)[C@](F)(CO)OC1([H])F
DB03009	[H]N1C(SCC(=O)N2CCCCC2)=NC(=O)C=C1C(F)(F)F
DB03010	[H]\C(=C(\C)[C@]1([H])C[C@]2([H])O[C@]2(C)CCC[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C(=O)C(C)(C)[C@@]([H])(O)CC(=O)O1)C1=CSC(C)=N1
DB03011	[H][C@]1(COP(O)(S)=S)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)[C@]1([H])O
DB03012	[H][C@@](CC1=CC=CC=C1)(NS(N)(=O)=O)C(O)=O
DB03013	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O
DB03015	[H]N1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1[C@H](O)N=CN2[H]
DB03016	NC(=N)C1=CC2=C(C=C1)N=C(N2)C1=C(O)C=CC=N1
DB03017	CCCCCCCCCCCC(O)=O
DB03018	CC1=CC=C(N)C=C1C
DB03019	NC1=NC=CC(=N1)C1=C(Cl)SC(Cl)=C1
DB03020	NC(=O)C1=C[NH+]=CC(=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O
DB03021	[H]C(=C([H])C([H])(C)C([H])(OC(C)=O)[C@]([H])(C)C(=O)CC[C@]([H])(C)[C@]([H])(C[C@]1([H])OC(=O)C[C@@]([H])(O)CCCC(=O)C[C@]([H])(C)C2=COC(=N2)C2=COC(=N2)C2=COC(=N2)\C([H])=C([H])\C[C@]([H])(OC)[C@@]1([H])C)OC)N(C)CO
DB03022	[H]N1C2=C(N(CCCOP(O)(O)=O)C(=O)N2C[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)N([H])C1=O
DB03023	CC(C)(C)N1[NH+]=C(C2=C1N=CN=C2N)C1=CC=C(Cl)C=C1
DB03024	[H][C@](C)(CC1=CSC(N)=N1)C=O
DB03026	ONC(=O)COP(O)(O)=O
DB03028	OC(=O)C1=NC2=CC=CC=C2N1
DB03030	CC1=CC=C(CN2C=NC(=C2)C2=CC=CS2)C=C1
DB03031	CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCCCCCNC(=O)C12CC3CC(CC(C3)C1)C2
DB03032	CCCCCCCCSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
DB03033	COC1=CC=C(C=C1)S([O-])=O
DB03034	C[C@@H]1COC2=C(N3CCN(C)CC3)C(F)=CC3=C2N1C=C(C(O)=O)C3=O
DB03035	OC1=CC=CC2=C1C(=O)C1=C(O)C=CC(=C1C2=O)[N+]([O-])=O
DB03037	OC(=O)CC1=C(O)C2=C(C=C1)C(=O)C1=C(C(O)=CC=C1)C2=O
DB03038	[H]N([H])C1=NC(=O)C2=C(N([H])C=C2CCC2=CC=C(C=C2)C(=O)N([H])[C@@H](CCC2=NN([H])N=N2)C(O)=O)N1[H]
DB03039	NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=CC(F)=CC=C1F
DB03040	OC(=O)CN(CC(O)=O)CC(O)=O
DB03041	O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O
DB03042	[H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)C(O)=O
DB03043	[H][C@](N)(CC1=CNC2=C1C=C[Se]2)C(O)=O
DB03044	CC1=CC=C(C=C1)N1N=C(C=C1NC(=O)NC1=CC=C(OCCN2CCOCC2)C2=C1C=CC=C2)C(C)(C)C
DB03045	CC(=O)OCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COC(=O)C(C)(C)C
DB03046	COC1=CC=C2C=CC(=CC2=C1C1=CN(N=C1)S(C)(=O)=O)C(N)=N
DB03048	OC(=O)CC1=CC(=O)NC(=O)N1
DB03049	N[C@@H](CS[SeH])C(O)=O
DB03051	OC(=O)[C@H]1CCCO1
DB03052	OC(=O)C1=CC=C(OCCN2C=CN=C2)C=C1
DB03053	NC1(CC1)[P@](O)([O-])=O
DB03056	C1CCN(CC1)C1CCNCC1
DB03057	O=CCC=O
DB03058	NC1=CC=CC=C1CO
DB03059	CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N
DB03060	COC1=CC(\C=C/C2=C(C)C3=C(N)N=C(N)N=C3N=C2)=C(OC)C=C1
DB03061	CCCCC[C@H](C)NC=O
DB03062	CN1C=CN=C1C(=O)C1=C(C)C2=C(O1)C=CC=C2OCCCNCC1=CN=CC=C1
DB03063	COC1=CC(=CC(OC)=C1OCC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)CN(CC[C@@H]1CCC2OCOC2C1)C(=O)CCN1C(=O)C2=CC=CC=C2C1=O
DB03064	CCCCCCCCCCC1=C(O)C(=O)NC1=O
DB03065	NC(=N)N1C=C2C=CC=C(C2=N1)[N+]([O-])=O
DB03066	C[C@@H](O)C(O)=O
DB03067	OC(=O)C1=C(C=C(OC2=C(NC(=O)C3=CC(=CC=C3)[N+]([O-])=O)C=C(NC(=O)C3=CC(=CC=C3)[N+]([O-])=O)C=C2)C=C1)C(O)=O
DB03068	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC=NC1=O
DB03069	NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O
DB03070	[H]N([H])C(=O)C1=C[Se]C(=N1)[C@]1([H])O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N=CN=C23)N([H])[H])[C@@H](O)[C@H]1O
DB03072	CC1=CC=CC2=C1N=C(CCCN1CCC(=CC1)C1=CC=C(F)C=C1)NC2=O
DB03073	COC1=CC=CC(=C1)C(N)=O
DB03074	NC1=NC2=C(C(=CN2)C#N)C(=O)N1
DB03075	OP(O)(=O)N[P@](O)(=O)OP(O)(O)=O
DB03076	CNC(=O)C1=CC=CC(CN2[C@H](COC3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H](COC3=CC=CC=C3)N(CC3=CC=CC=C3)S2(=O)=O)=C1
DB03077	CCCOCCOCCOCCCNC1=C(N)C(=O)C1=O
DB03078	O[P@@](=O)(OCC1=CC=CC=C1)OC1=C(C=O)C=CC=C1
DB03079	[H][C@]1(COP(O)(O)=O)O[C@]([H])(N2C=NC3=CC=CC=C23)[C@]([H])(O)[C@]1([H])O
DB03081	COC1=C(C)C(C)=C(C(C)=C1)S(=O)(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC1=CC=C(C=C1)C(N)=N)C(=O)N1CCCCC1
DB03082	NCC1=CC=C(NC(=O)C2=CC(NC3=NC=CC=N3)=C3C=C(C=CC3=C2)C(N)=N)C=C1
DB03083	COC1=CC(OC)=C(\C=C2\C(=O)NC3=CC=CC=C23)C(OC)=C1
DB03084	CCCN1C(=NC(=C1C1=CC=NC(NC2CC2)=N1)C1=CC=C(Cl)C(Cl)=C1)C1CCN(C)CC1
DB03085	OCC(O)=O
DB03086	[H][C@@](N)(CC1CCCCC1)[C@]([H])(O)C(=O)NNC1=CC=C(C)C=C1
DB03087	CC[C@@H](C)C1=NC=CS1
DB03088	OC(=O)[C@@H]1CCC(=O)N1
DB03090	[H][C@@](CCCC)(N1CCN[C@]([H])(CC2=CC=CC=C2)C1=O)C(O)=O
DB03091	N[C@@H](CCC(O)=O)C(N)=O
DB03092	[H][C@]1(O)C=C(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O
DB03093	COC1=CC(CC2=NC3=NC(F)=NC(N)=C3N2)=C(OC)C=C1
DB03095	C[N+](C)(C)C
DB03096	NCCN1CCOCC1
DB03097	[H]N(CC1=C(O)C(C)=NC=C1COP(O)(O)=O)C1=CON([H])C1=O
DB03098	C[Se]CC([O-])=O
DB03100	O=N(=O)C1=CC2=NNC=C2C=C1
DB03101	OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1O
DB03102	OC(=O)C(=O)NC1=C(C(O)=O)C2=C(COCC2)S1
DB03103	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O
DB03104	CC(=O)N\C(=C/C1=CC=C(CC(O)=O)C(C=O)=C1)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O
DB03106	O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
DB03107	NCCC(O)=O
DB03108	[H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)C(O)=O
DB03109	[H]N([C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@H]1O)C(C)=O
DB03110	OC1=CC=CC=C1Cl
DB03111	N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(O)(O)=O
DB03112	[H][C@]12CS[C@@]([H])(CCCCCC(O)=O)[C@@]1([H])NC(=O)N2
DB03113	[H][C@@](CF)(OP(O)(O)=O)C(O)=O
DB03114	O[P@@](=O)(OCC1CCCCC1)OC1=C(C=O)C=CC=C1
DB03115	[H]N(OC[C@@H](O)CO)C(=O)C1=CC(Br)=C(F)C(F)=C1N([H])C1=C(F)C=C(I)C=C1
DB03116	[H][C@]1(CC(=C[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)C(O)=O)O[C@@](C)(OP(O)(O)=O)C(O)=O
DB03117	[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSC[C@H](C)C(O)=O)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1
DB03118	O\C(=C/C(=O)C1=CNC2=CC=C(Cl)C=C12)C1=NN=NN1
DB03120	CC1=CC=C(C=C1)S(O)(=O)=O
DB03121	COC1=CC2=C(C=C1)N(CC1=CC=CC=C1)C(C)=C2CC(O)=O
DB03124	[H][C@@](CC(O)=O)(NC(=O)C1=CC=C(CNS(=O)(=O)C2=CC(C(O)=O)=C(O)C=C2)C=C1)C(C)=O
DB03125	COC1=CC(CC2=C[NH+]=C(N)N=C2N)=CC(OC)=C1OC
DB03126	[H][C@@]1(C[C@]([H])(OC(=O)C2=CC=CC=C2NC)[C@@]([H])(COP(O)(=O)OP(O)(O)=O)O1)N1C=NC2=C(N)N=CN=C12
DB03127	NC(=[NH2+])C1=CC=CC=C1
DB03128	CC(=O)OCC[N+](C)(C)C
DB03129	[H]N([H])C(N([H])[H])=[N+]([H])CCCOB1OCCO1
DB03130	[H]N([H])[C@@H](CCC(=O)N([H])[C@@H](CSC(O)OCC1=CC=C(C=C1)[N+]([O-])=O)C(=O)N([H])CC(O)=O)C(O)=O
DB03132	OS(=O)(=O)CCCSC1=NC2=C(S1)C=CC=C2
DB03133	[H][C@]1(CO)O[C@@]([H])(C2=NC3=C(N2)C=C(C)C=C3)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O
DB03134	N[C@@H](CCCCC(O)=O)C(O)=O
DB03135	ON(CCP(O)(O)=O)C=O
DB03136	NC(=[NH2+])C1=CC2=C(S1)C=CC=C2I
DB03137	COC1=CC(CC2=NC3=C(N)N=C(F)N=C3N2CCCC#C)=C(OC)C=C1
DB03138	[O-][Cl](=O)(=O)=O
DB03139	[H][C@@]1(CCCCC(=O)NCCCCCC(O)=O)SC[C@]2([H])NC(=O)N[C@]12[H]
DB03140	OB(O)C1=CC=C(C=C1)C(O)=O
DB03141	O[C@@H]1CN(N(CC2=CC=C(O)C=C2)C(=O)N(CC2=CC=C(O)C=C2)[C@@H]1CC1=CC=CC=C1)S(=O)(=O)C1=CC(=CC=C1)C#N
DB03142	OC[C@@H]1O[C@@H](O)[C@H](O)[C@H]1O
DB03143	CCCCCCCCCO
DB03144	N[C@@H](CCCNC(=N)NO)C(O)=O
DB03145	CC1=C(CCOP(O)(O)=O)SC=N1
DB03146	[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=C2[NH+]=CN=C3SP(O)(O)=O)[C@]([H])(O)[C@]1([H])O
DB03147	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2
DB03148	[H][C@]1(COP(O)(=O)CP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O
DB03150	CC1=CN([C@H]2CC[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O
DB03151	[Cu]12[Cu]3[Cu]4[Cu]1S234
DB03152	[H][C@@]1(O)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])OCCCCCCCC
DB03153	OC1=NC=NC2=C1N=NC2
DB03154	OP(O)(=O)C(F)(F)C1=CC2=CC(=CC=C2C=C1)C(F)(F)P(O)(O)=O
DB03155	[H]N1C(=O)C=CN([C@@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@@]2([H])F)C1=O
DB03156	O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
DB03157	[H][C@@](CC1=CC=C(OS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C)C=C1)(NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C)C(O)=O
DB03158	O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1OP(O)(O)=O
DB03159	NC(=[NH2+])C1=CC=C2NC(=CC2=C1)C1=CC=CC(=C1[O-])C1=CC=CC=C1
DB03160	[H][C@@](C)(NCC1=C(COP(O)(O)=O)C=NC(C)=C1O)C(=O)CCCCCC(O)=O
DB03161	[H]N1C(=O)N(C=C(C)C1=O)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)O1
DB03162	OC(=O)C1=NSN=C1O
DB03163	CC(=O)CSCCS(O)(=O)=O
DB03164	[H]N([H])C1=[N+](C)C=NC2=C1N([H])C=N2
DB03165	CN(C)CCO[P@](O)(=O)OP(O)(O)=O
DB03166	CC(O)=O
DB03167	OC1=C(Br)C(Br)=C(Br)C(Br)=C1Br
DB03169	[H][C@](O)(C([O-])=NCCC([O-])=NCCSC(=O)C[C@@](C)(O)CC([O-])=O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O
DB03170	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCS
DB03171	OP(O)(=O)OCCCC1=CNC2=C1C=CC=C2
DB03172	NC1=NC=NC2=C1C=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
DB03173	NC(=[NH2+])C1=CC=C2NC(=CC2=C1)C1=CC=CC(OC2CCCC2)=C1[O-]
DB03174	OP(O)(=O)CC=O
DB03175	CCCO
DB03176	CC(C)C1=CC(OC2=C(Cl)C=C(CC(O)=O)C=C2Cl)=CC=C1O
DB03177	CC1=CC2=C(C=C1)N=CN2
DB03178	[H]N([H])C1=NC(=O)C2=C(N1[H])N(C=N2)[C@@H]1O[C@H](CO)[C@@]2([H])O[P@](O)(=S)O[C@@]12[H]
DB03179	COC1=CC(\C=C\C(=O)SCCNC(=O)CCNC(=O)C2(O)[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@@H](O)[C@@H]3OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)C2(C)C)=CC(OC)=C1O
DB03180	CC1=CC(N)=C(N)C=C1C
DB03181	CC(C)C1=CC(OC2=C(C)C=C(C=C2C)N2N=CC(=O)NC2=O)=CC=C1O
DB03182	[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CC[C@@H](F)C(O)=O)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1
DB03183	CCOC(=O)C1=C(C)N(N=C1C)C1=CC=C(N)C=C1
DB03185	[H][C@]1(CO)O[C@@]([H])(N2C=CC=CNC2=O)[C@]([H])(O)[C@]1([H])O
DB03186	[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]4C[C@@H](O[C@@H]4COP(O)(O)=O)N4C=CC(=O)N([H])C4=O)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1
DB03187	[H][C@](CCCCC(O)=O)(CCSCN)SSCCO
DB03189	[Cu].C1CNCCNCCCNCCNC1
DB03190	[H][C@]1(COC(=O)CCCCCCC)O[C@@](CO)(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@@]([H])(O)[C@]1([H])O
DB03191	[H][C@](N)(C[C@@]1([H])CO1)C(O)=O
DB03192	CCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N
DB03193	CCCCCCCCCCCCCCCCCC(O)=O
DB03194	[H][C@@]1(C)O[C@]([H])(OC)[C@@]([H])(O)[C@]([H])(O)[C@]1([H])O
DB03195	[H][C@]1(F)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=C(C)C(=O)NC1=O
DB03196	[H][C@@]1(CO)O[C@@]([H])(OC2=CC=C(C=C2)[N+]([O-])=O)[C@]([H])(O)[C@@]1([H])O
DB03197	NC1=NC2=NC=C(CO)N=C2C(=O)N1
DB03198	[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(S[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(S[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O[C@@]5([H])O[C@]([H])(CO)[C@@]([H])(S[C@@]6([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]6([H])O)[C@]([H])(O)[C@@]5([H])O)[C@]([H])(O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O
DB03199	[H][C@@]1(C[C@]([H])(N(C)C)[C@]([H])(O)[C@]([H])(C)O1)O[C@@]1([H])C[C@](O)(CC)[C@]([H])(C(=O)OC)C2=C(O)C3=C(C(O)=C12)C(=O)C1=C(C=CC=C1OC)C3=O
DB03200	[H][C@]1(COP(O)(O)=O)O[C@]([H])(N2C=NC3=NC=NC=C23)[C@]([H])(O)[C@]1([H])O
DB03201	N[C@H](CS)C(O)=O
DB03202	[H][C@](NC(=O)CN1C(=O)C(NS(C)(=O)=O)=CN=C1C1=CC=C(N)C=C1)(C(C)C)C(=O)C(F)(F)F
DB03203	[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@@]([H])(N)CO
DB03205	OC(=O)C1=CC2=C(N1)C1=C(N=C(C=C1C(O)=O)C(O)=O)C(=O)C2=O
DB03206	OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
DB03207	[H][C@@]1(CC2=C(CN1S(=O)(=O)C1=CC=C(C=C1)C1=CC=CC=C1)C=CC=C2)C(O)=O
DB03209	OC(=O)C1=NC(=O)NC(=O)N1
DB03210	NC1=CC=C(CCC(O)=O)C=C1
DB03211	OP(O)(=O)CCC(=C)C=O
DB03212	[H][C@](O)(C[C@]([H])(O)[C@@]([H])(O)C([O-])=O)C([O-])=O
DB03213	NC(=N)C1=CC2=C(C=C1)N=C(N2)C(=O)C1=NC2=C(N1)C=CC(=C2)C([NH3+])=[NH2+]
DB03214	N[C@@H](C=C)C(O)=O
DB03215	[H][C@@]1(CC(O)=O)CC[C@]([H])(N1)C(O)=O
DB03216	NC1=NC=NC2=C1N=CN2[C@@H]1C=C[C@H](O)[C@H]1O
DB03217	[H][C@@](O)(C1=CC=CC2=CC=CC=C12)P(O)(O)=O
DB03218	CC(=O)NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
DB03219	[H][C@]1(O)C[C@]([H])(O[C@]2([H])[C@]([H])(C)O[C@]([H])(C[C@]2([H])N(C)C)O[C@@]2([H])C[C@](O)(CC)[C@]([H])(O)C3=C2C(O)=C2C(=O)C4=C(C=CC=C4O)C(=O)C2=C3)O[C@@]([H])(C)[C@]1([H])O[C@@]1([H])CCC(=O)[C@@]([H])(C)O1
DB03220	[H][C@@](C)(O)[C@@]([H])(CCC1=CC=CC2=C1C=CC=C2)N1C=NC(=C1)C(N)=O
DB03221	CN[C@@H]1CN(C2=CC(OC)=CC=C2)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O
DB03222	NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1
DB03223	C[N+](C)(C)[C@@H](CCC1=NC(C[C@H](N)C(O)=O)=CN1)C(N)=O
DB03224	[Fe+4].[H]\C(O)=C1/C(C)=C2[N-]/C/1=C([H])\C1=C(C)[C@@]([H])(C=C)\C([N-]1)=C([H])\C1=C(C)C(CCC(O)=O)=C([N-]1)\C([H])=C1/[N-]/C(=C\2/[H])C(C)=C1CCC(O)=O
DB03225	N[C@H](CC1=CNC2=CC=CC=C12)C(O)=O
DB03226	OCC(F)(F)F
DB03227	NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@@H](COP(O)(O)=O)[C@H](O)[C@H]1O
DB03228	NC(=O)C1=C(C=C(C(=C1)N(CCCl)CCCl)[N+]([O-])=O)[N+]([O-])=O
DB03229	CC(C)CC(=O)C(O)=O
DB03230	[H][C@]1(COP(O)(=O)OCCC)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O
DB03231	[H]N([H])C1=NC(=O)C2=NN(N([H])C2=N1)C1=CC=CC(=C1)C(=O)N([H])CC1=CC=CC=C1SC1=CC=CC=C1CO
DB03232	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=CC=CC=C1O
DB03233	[H]N([H])[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=C(C)C(=O)N([H])C1=O
DB03234	CN(CC=C)CC1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)C1=CC=C(Br)C=C1
DB03235	[H]N([H])CCCN1CCN(CCCN([H])C(=O)C2=CC(=CC(O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)=C2)[N+]([O-])=O)CC1
DB03237	O[C@@H](CC(=O)C([O-])=O)[C@@H](O)C([O-])=O
DB03238	NC1=CC(F)=CC(F)=C1
DB03239	[H][C@@](CC1=CC=C(OC2=CC(=C(O)C(=C2)[N+]([O-])=O)[N+]([O-])=O)C=C1)(NC(C)=O)C(O)=O
DB03240	N[C@@H](CN1C2=C(CCC2)C(=O)NC1=O)C(O)=O
DB03241	[H][C@](N)(CCCC)C=O
DB03242	[H][C@]1(CO)O[C@]([H])(OC2=CC=C(N)C=C2)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O
DB03243	[NH3+]CC1=CC=C(F)C=C1
DB03245	[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSC(=O)CCC[N+]([O-])=O)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1
DB03246	OC[C@@H]1O[C@H](O)[C@H](O)[C@H]1O
DB03247	CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=NC(=O)NC(=O)C1=N2
DB03248	CC[C@@H](OP(O)(O)=O)C(O)=O
DB03250	[H][C@]1(CO)O[C@@]([H])(C2=NC3=CC(C)=CC=C3S2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O
DB03251	[H]N([H])C(=NCCC[C@H](N([H])C(=O)C1CCCC1)C(=O)C1=NC2=CC=CC=C2S1)N([H])[H]
DB03252	[H][C@@](N)(CCCCN)C(O)=O
DB03253	NC[C@@H]1CCCN1
DB03254	N1C=NC=C1C1=CC=CC=C1
DB03255	OC1=CC=CC=C1
DB03256	[H]N([H])C1=NC(=O)C2=C(N([H])C[C@@H](CN([H])C3=CC=C(C=C3)C(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)N2C=O)N1[H]
DB03257	[H][C@@](CC(C)C)(NC(C)=O)[C@]1([H])O[C@]([H])(C[C@@]1([H])C(=O)OC)C(O)=O
DB03258	NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1
DB03259	OC1=CC=CC(=C1O)C1=C(Cl)C=CC=C1Cl
DB03260	NCCCCCCN
DB03262	NS(=O)(=O)C1=CC2=C(S1)S(=O)(=O)N(C(CN1CCOCC1)=C2)C1=CC(O)=CC=C1
DB03264	CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12
DB03266	O=CCCCC=O
DB03267	CCCCN1C2=C(NC(CC3=CC=C(NC(C)=O)C=C3)=N2)C(=O)N(CC=C)C1=O
DB03268	CC(=O)N[C@@H](CC1=CC(C=O)=C(C=C1)C(O)=O)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O
DB03270	NS(=O)(=O)C1=C(F)C=CC=C1F
DB03273	[H][C@]1(CO)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)C1=O
DB03274	[H]N1C(=O)C=CN([C@H]2C[C@H](O)[C@@H](C)O2)C1=O
DB03276	NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@H](\C=C\C[C@H](CNC1=O)CC1=CC=CC2=CC=CC=C12)C1=CC=C(C=C1)CP(O)(O)=O
DB03277	[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O
DB03278	OC[C@H](O)[C@@H](O)CO
DB03279	[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@]([H])(O[C@@]2([H])[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(OCCCCCCCCCCCC)O[C@]2([H])CO)[C@]1([H])O
DB03280	[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H](C[C@@H]4O)N4C=C(C)C(=O)N([H])C4=O)[C@@H](O)[C@H]3O)C2=NC=N1
DB03283	C[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O
DB03284	[H][C@]1(O)COC(=C[C@]1([H])O)C(O)=O
DB03286	[H]C(N)(O)[C@]1(O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O)N=[N+]=[N-]
DB03288	[H][C@@](O)(CNC(=O)C1=CC2=CC(Cl)=CC=C2N1)N(CCO)C1CCCC1
DB03289	[H][C@](N)(CS[As](O)O)C(O)=O
DB03290	CC(=O)N[C@@H](CC1=CC=CC2=CC=CC=C12)[B-](O)(O)OC[C@H](N)C(O)=O
DB03292	[H][C@@](N)(CP(O)(O)=O)C(O)=O
DB03294	CN1SC(=O)C2=CC(=CC=C12)S(N)(=O)=O
DB03296	[H]N([C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@H](O)[C@H](O)[C@H]3O)[C@@H]2O)(O[C@@]1([H])[C@H](O)[C@H](O)CO)C(O)=O)C(C)=O
DB03297	OS(=O)(=O)CC1=CC=CC=C1
DB03298	OP(O)(=O)OC1=CC=CC=C1
DB03299	[H][C@](NC(=O)CCC(O)=O)(C(O)=O)C1=CC=CC=C1
DB03300	[H][C@]12NC3=C(N[C@@]1([H])C(S)=C(S)[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O)O2)C(=O)NC(N)=N3
DB03301	CC1=CC=CC(CC=C)=C1O
DB03304	NCC1=CNC2=C1C(=O)NC(N)=N2
DB03305	CC(=N)NCCC[C@H](N)C(O)=O
DB03306	COC1=CC=CC(C=O)=C1OP(O)(O)=O
DB03307	NC1=NC=NC(NC2=CC=C(C=C2)S(N)(=O)=O)=C1
DB03308	CC(C)C[C@H](N)C(=O)NO
DB03309	OS(=O)(=O)CCNC1CCCCC1
DB03310	N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O
DB03311	CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C2=C(O1)C=C(C=C2)S(=O)(=O)NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1
DB03312	OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(\C=C\Br)C(=O)NC1=O
DB03313	[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CCC[C@@H](N)C(O)=O)C(O)=O
DB03314	N[C@@H](CC1=CNC2=C1C=C(F)C=C2)C(O)=O
DB03315	NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]2O)C(=O)N1
DB03316	C1COCCO1
DB03317	CC(S)C1=C2C=C3C(C)=C(C(C)S)C4=[N+]3[Fe--]35N6C(=C4)C(C)=C(CCC(O)=O)C6=CC4=[N+]3C(=CC(N25)=C1C)C(C)=C4CCC(O)=O
DB03319	[H][C@](N)(CC1=C(ON=C1[O-])C(C)(C)C)C(O)=O
DB03320	N[C@@H](C[NH3+])C(O)=O
DB03321	[H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO
DB03322	CC(C)NC[C@@H](O)COC1=CC=CC2=C1C=CC=C2
DB03323	OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
DB03325	[H]N([H])[C@@H](CC1=CC=C(O)C=C1)C(=O)N([H])S(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N=CN=C12)N([H])[H]
DB03326	NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OC2CC(OC2CO)N2C=CC(N)=NC2=O)O1
DB03327	[H][C@@](C)(NCC1=C(COP(O)(O)=O)C=NC(C)=C1O)P(O)(O)=O
DB03328	S[Mo](=O)=O
DB03329	SC1=NC=CC=C1
DB03330	N[C@@H](CCC(=O)N[C@@H](CS[C@@H](O)N(O)C1=CC=C(I)C=C1)C(=O)NCC(O)=O)C(O)=O
DB03331	[H]N(CC1=CC=CC2=CC=CC=C12)C1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N([H])C(=O)C3=CC(OC)=CC(OC)=C3)C2=NC=N1
DB03332	NC1=NC2=C(N3[C@@H](COC3=O)CN2)C(=O)N1
DB03333	NS(=O)(=O)C1=CC=C(NC(=S)OCCC2=CSC=C2)C=C1
DB03335	C[C@H](O)CBr
DB03336	OC1=CC(=CC(=C1O)[N+]([O-])=O)C(=O)CCN1CCN(CC1)C1=CC(=CC=C1)C(F)(F)F
DB03337	NC(=N)C1=CC=C(NC(=O)NC2=CC=C(OC3=CC=CC=C3)C=C2)C=C1
DB03338	[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCCC)[C@]1([H])O
DB03340	[H][C@@](C)(CP(O)(=O)[C@@]([H])(N)CC(O)=O)C(O)=O
DB03341	[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSCC(=O)N([H])CCC4=CN([H])C5=C4C=C(Br)C=C5)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1
DB03342	CC(=O)NC1=CC=C(C=C1NC(N)N)C(O)=O
DB03343	O[C@H](\C=C(/O)[O-])C([O-])=O
DB03344	[H][C@]1(O)[C@]([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@]([H])(OP(O)(O)=O)[C@@]1([H])OP(O)(O)=O
DB03345	OCCS
DB03346	OC1=C(Cl)C=C(C=C1Cl)C1=CC(Cl)=C(O)C(Cl)=C1
DB03347	CCOP(=O)(OCC)OCC
DB03348	[H][C@]12CCCN[C@]11CC(C)=C[C@H]2CC2=C1C=CC(=O)N2
DB03349	[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C(Br)=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O
DB03350	[NH3+][Co-3]([NH3+])([NH3+])([NH3+])([NH3+])[NH3+]
DB03351	CC1=C(CNC2=CC=CC3=NC=CC=C23)C=NC2=NC(N)=NC(N)=C12
DB03352	N[C@@H](CS[As](O)(O)=O)C(O)=O
DB03353	[H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])N=C(N)N2
DB03354	[H][C@]1(CO)O[C@@]([H])(C2=NN=C(C)O2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O
DB03355	[H]N([H])[C@@H]([C@@H](C)O)C(=O)N([H])S(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N=CN=C12)N([H])[H]
DB03357	O[C@H](C(O)=O)C1=CC=CC=C1
DB03358	[H]N([H])C1=NC(=O)C2=C(N1[H])N(CN2C)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
DB03359	C[N+](C)(C)C1=CC=CC(=C1)C(O)(O)C(F)(F)F
DB03360	[H][C@]1(CCCN1C(C)=O)C(O)=O
DB03361	[H][C@@](C)(O)[C@]12NC3=NC(C)=NC=C3CN1C(C)=C(CCOP(O)(=O)OP(O)(O)=O)S2
DB03363	[H][C@]1(COP([O-])(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])([N+]3=CC=CC(=C3)C(C)=O)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O
DB03364	CSCC[C@@H](NC(N)=O)C(O)=O
DB03365	COC1=CC2=NC=NC(NC3=CC(O)=CC=C3)=C2C=C1OC
DB03366	N1C=CN=C1
DB03367	[H][C@](CC(O)=O)(NC(=O)C1=CC(=CS1)C1=CC=C(C=C1)C1=CC=NC=C1)C1=CC=CC=C1
DB03368	CC1(C(=O)NC(=O)NC1=O)C1=CC=C(OC2=CC=CC=C2)C=C1
DB03369	NC1=CC2=C(C=CC=C2)C2=C1C=CC=C2
DB03370	[H][C@@](C)(O)[C@@]([H])(CCC1=CC=CC(Cl)=C1Cl)N1C=NC(=C1)C(N)=O
DB03371	[H][C@](N)(CCC(=O)O[C@@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]1(O)F)C(O)=O
DB03372	SCCC(=O)N1CCC2=C(C1)NC1=C2C=CC=C1
DB03373	[H]N=C(C)N1CCC(CC1)OC1=CC2=C(C=C1)N=C(C)N2CC1=CC2=C(C=C1)C=CC(=C2)C(N)=[NH2+]
DB03374	[H][C@](N)(CC1=CC(I)=C(O)C(I)=C1)C(O)=O
DB03376	[H]N([H])[C@@H](C)C(=O)N([H])S(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N=CN=C12)N([H])[H]
DB03379	OC(=O)CCP(O)(O)=O
DB03380	[H][C@](N)(CC1=CC=C(O)C=C1)C(N)=O
DB03381	CCCCCCCCCCCCCCCC=O
DB03382	[H][C@](N)(CS=O)C(O)=O
DB03383	[H][C@@](CC1=CC=C(F)C=C1)(NC(=O)C1=CC2=C(N1)C=CC(Cl)=C2)C(=O)N1CCC(O)CC1
DB03384	FC1=CC2=C(NC(=C2)C(=O)NCCS)C=C1
DB03385	CC1=CN=CN1
DB03388	CC(C)N(C(=O)C1=C(Cl)C=C(Cl)C=C1)C1=C(SC(=C1)C1=CC=CC=C1)C(O)=O
DB03389	O[C@@H]1CO[C@H](O)[C@H](O)[C@H]1O
DB03390	[H]N(CCC)C(=O)[C@H](O)[C@@H](O)C(O)=O
DB03392	[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(NP(=O)(OC)OC)[C@]1([H])O
DB03393	[H][C@@]12CCCN(N1)C(=O)[C@H](CC1=CC(O)=CC=C1)NC(=O)[C@@H](NC(=O)[C@H](CCC(C)=O)[C@H](O)[C@@H](C)[C@@H](O)\C=C\C=C\C[C@H](OC2=O)C(\C)=C\C=C\CC[C@H](C)[C@@H](O)C[C@@H]1O[C@@]2(NC(=O)[C@@H](CC)C[C@@H]2C)[C@@H](C)[C@@H](O)[C@H]1C)C(C)C
DB03394	OCCOCCOCCOCCOCCOCCOCCO
DB03395	COC1=CC=C(C[C@H](NC(=O)CC(C)(C)N)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)C=C1
DB03396	[H]N([C@H]1CC[C@@H](O)CN([H])C1=O)C(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)(C)C
DB03397	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O
DB03399	CC[N+]#C
DB03400	CC1=CC=C(CCC(O)=O)C=C1
DB03401	O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O
DB03403	NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
DB03405	[H]N([C@@H](CC(C)C)C(=O)N([H])[C@@H]1CN(CC1=O)C(=O)[C@H](CC(C)C)N([H])C(=O)OCC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1
DB03408	N[C@@H](CCC(=O)N[C@@H](CS)C(O)=O)C(O)=O
DB03410	OC1=CC(=O)OC2=CC=CC=C12
DB03411	OC[C@@H]1NC[C@H](O)[C@H]1O
DB03412	N[C@@H](CCCCO)C(O)=O
DB03413	O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O
DB03414	[H][C@]1(N)S[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]1([H])O
DB03415	[H][C@](O)(C(O)=NCCC(O)=NCCSC(=O)CSCCCCC)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O
DB03416	CC1=C(CCO[P@](O)([O-])=O)SC=[N+]1CC1=CN=C(C)N=C1N
DB03417	[H][C@](CCCNC(N)=N)(C=O)[C@]([H])(N=C(O)N1CCN(CC1)C(O)=NC(C)(C)C)C(O)=O
DB03419	O=C1NC=CC(=O)N1
DB03420	[H][C@@](O)(CO)[C@@]([H])(O)[C@]1([H])O[C@]([H])(C[C@]([H])(NC(N)=N)[C@@]1([H])N=C(C)O)C(O)=O
DB03421	O=C1NN(CCC2=CC=CC=C2)C(=O)C2=C1C=CC=C2
DB03423	[H][C@](N)(CC[Se]C[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O)C(O)=O
DB03424	CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(O)=O
DB03425	[H][C@@](C)(C[C@]([H])(N)C(O)=O)C([O-])=O
DB03428	COC1=CC=C2NC(=O)\C(=C/C3=CN=CN3)C2=C1
DB03429	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
DB03430	O[C@H](C#N)C1=CC=C(O)C=C1
DB03433	C[C@H](CNCC1=C(O)C(C)=NC=C1COP(O)(O)=O)OP(O)(O)=O
DB03434	OS(=O)(=O)CCCN1CCOCC1
DB03435	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O
DB03437	[H]N([H])C1=NC(=CS1)C(=N\OC)\C(=O)N([H])[C@H](C=O)[C@@]1([H])SC(C)(C)[C@@H](N1[H])C(O)=O
DB03439	[H][C@]1(C)O[C@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N
DB03440	CCCCCCCCCCCCCCCC(=O)NCC(O)=O
DB03441	[H][C@@](CI)(CC1=CC=CC=C1)C(O)=O
DB03442	CC1=NN(C(O)=C1\N=N\C1=CC(=CC=C1C(O)=O)S(O)(=O)=O)C1=C(C)C=C(C=C1)S(O)(=O)=O
DB03443	NC(N)C1=CC2=C(C=C1)[N+]1=C(N2)C(=O)C2=[N+]([Zn]1)C1=C(N2)C=C(C=C1)C(N)N
DB03444	O\N=C1\C(\NC2=C\1C=CC=C2)=C1\C(=O)NC2=CC(Br)=CC=C12
DB03445	[H]\C(N[C@@]([H])(C(O)=O)[C@](C)(CN1C=CN=N1)S(=O)=O)=C(\[H])C=O
DB03446	[H][C@]1(CO)O[C@]([H])(OC2=CC=CC(=C2)C(=O)NCC2=CC=CC=C2)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O
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DB03473	CNC(=O)CC[C@H](N)C(O)=O
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DB03480	CC1=C(N=C2C=CC(F)=CC2=C1C(O)=O)C1=CC=C(C=C1)C1=CC=CC=C1
DB03481	C[C@H]1[C@@H]2[C@@H](C)NC3=C(N2CN1C1=CC=C(C[C@@H](O)[C@@H](O)[C@H](O)CO[C@H]2O[C@H](CO[P@@](O)(=O)O[C@@H](CCC(O)=O)C(O)=O)[C@@H](O)[C@@H]2O)C=C1)C(=O)NC(N)=N3
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DB03487	[H]N1C(=O)C[C@H](N)C1=O
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DB03489	OC[C@H](O)[C@@H](O)CC(=O)C(O)=O
DB03490	C1C2=C(C=CC=C2)C2=NNC(=C12)C1=CC=NC=C1
DB03491	NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C(=O)N1
DB03493	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N)N2
DB03495	[H][C@]1(C)O[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@]([H])(OC[C@@]3([H])O[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N[C@@]1([H])C=C(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O
DB03496	CN1CC[C@@H]([C@H](O)C1)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=CC=C1Cl
DB03498	[O-]P([O-])(=O)CS
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DB03502	[H][C@](O)(C[C@]([H])(N)C(O)=O)SC[C@]([H])(N)C(O)=O
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DB03504	CCCCN1C(CC2=CC(OC)=C(OC)C(OC)=C2Cl)=NC2=C(N)N=CN=C12
DB03505	NC1=CC2=C(O)N=C(N)N=C2C=C1
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DB03509	NC(=O)C1=CC=CC2=NC=C(N=C12)C1=CC=C(Cl)C=C1
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DB03512	OC[C@@H]1O[C@H]([C@H]2O[V](O)(O)(=O)O[C@H]12)N1C=CC(=O)NC1=O
DB03513	[H][C@](N)(CC1=CNC2=C1[Se]C=C2)C(O)=O
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DB03516	O=C1NC=C(C#C)C(=O)N1
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DB03518	C[C@@](O)(CCO)CC(O)=O
DB03522	N[C@@H](CC(=O)OCC(O)=O)C(O)=O
DB03523	CC1=C(N=C2C=CC(F)=CC2=C1C(O)=O)C1=CC=C(C=C1)C1=CC=CC=C1F
DB03524	NCCCN1CCN(CCCNC(=O)C2=CC(NC(=O)CC3=CC=CS3)=CC(O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)=C2)CC1
DB03525	OP(O)(=O)OC1=C2NCCCC2=CC=C1
DB03526	COC1=CC=C(CNS(=O)(=O)C2=CC=C(S2)S(N)(=O)=O)C=C1
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DB03531	CC(C)C(=O)N1C2=C(C=C(C)C(C)=C2)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[N+]2=CN=C3C2=NC=NC3=N)C2=C1C([O-])=NC(=O)N2
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DB03533	O=C1N[C@@H]2NC(=O)N[C@@H]2N1
DB03534	CN(CC1=C(N)C=CC(=C1)C(=O)N(C)CC1=CC2=C(C=CC=C2)N1C)C(C)=O
DB03535	[H][C@]1(CCCN1C(=O)[C@]1([H])CCCN1C(=O)OCC1=CC=CC=C1)C=O
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DB03548	[H][C@@](O)(CO)[C@@]1([H])O[C@](O)(C[C@@]([H])(O)[C@@]1([H])O)C(O)=O
DB03549	[H][C@@]1(CCCCC(=O)NC2=CC=C(C=C2)[N+]([O-])=O)SC[C@]2([H])NC(=O)N[C@]12[H]
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DB03589	OC(=O)C(=O)C(O)=O
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DB03591	CC(=O)N[C@@H](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O
DB03592	NC1=NC2=NC=C(COP(O)(O)=O)N=C2C(=O)N1
DB03593	C[N+]1=CN([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C2=C1C(=O)NC(N)=N2
DB03594	N1C=NC=N1
DB03595	NC(=[NH2+])C1=CC=C2NC(=NC2=C1)C1=CC(OC(F)(F)F)=CC=C1[O-]
DB03596	[H][C@@](CC)(CNC(=O)C1=CC=C(C=C1)S(N)(=O)=O)C1=CC2=C(NC=C2)C=C1
DB03597	[H]N([H])[C@@H](CCC(=O)N([H])[C@@H](CSCC1=CC=CC=C1I)C(=O)N([H])CC(O)=O)C(O)=O
DB03598	COC1=CC=CC(=C1)N1C(CN2CCOCC2)=CC2=C(SC(=C2)S(N)(=O)=O)S1(=O)=O
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DB03604	OC(=O)CC1=CC(I)=C(OC2=CC=C(O)C(I)=C2)C(I)=C1
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DB03606	[H][C@@]1(CNC(=O)C1)C1=CC=C(OC)C(OC2CCCC2)=C1
DB03607	CC(=O)N[C@@H](CC1=CC=C(Cl)C=C1)[B-](O)(O)OC[C@H](N)C(O)=O
DB03608	NC(=N)C1=CC=C(N\N=N\C2=CC=C(C=C2)C(N)=N)C=C1
DB03609	[H]N([H])C1=NC(=O)C2=C(N1[H])N(C=N2)[C@@H]1O[C@H](CO)C[C@H]1O
DB03611	[H]\C(OC)=C(/[H])[C@]([H])(N)C(O)=O
DB03612	CC(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N
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DB03614	C1(CC[C@@]2([C@@H](CC(N)=O)[C@@]3([C@@]4([N+]5=C([C@H]([C@@]4(CC(N)=O)C)CCC(N)=O)C(C)=C4[N+]6=C(C=C7[N+]8=C([C@H](C7(C)C)CCC(N)=O)C(C)=C2N3[Co-3]568([N+]2=CN([C@H]3O[C@@H]([C@@H](OP(O[C@@H](CN1)C)([O-])=O)[C@H]3O)CO)C1=CC(C)=C(C=C21)C)C)[C@H]([C@@]4(CC(N)=O)C)CCC(N)=O)C)[H])C)=O
DB03615	[H][C@@]1(O[C@@H]2[C@@H](O)[C@H](N)C[C@H](N)[C@H]2O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)O[C@H](CO)[C@@H](O)[C@H]1O
DB03616	[H]\C(=C(\[H])[C@@]([H])(C)[C@@]([H])(OC)[C@@]([H])(C)C(=O)CC[C@]([H])(C)[C@]([H])(C[C@]1([H])OC(=O)C[C@]([H])(C[C@]([H])(C)C[C@]([H])(O)[C@]([H])(C)[C@@]([H])(OC)C2=COC(=N2)C2=COC(=N2)C2=COC(=N2)\C([H])=C([H])\C[C@]([H])(OC)[C@@]1([H])C)O[C@]([H])(N)O)OC)N(C)CO
DB03619	[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C
DB03621	[H]\C(=C(\C)[C@@]1([H])OC(=O)[C@]2([H])CCCCN2C(=O)C(=O)[C@]2(O)O[C@@]([H])([C@]([H])(C[C@@]2([H])C)OC)[C@]([H])(C[C@@]([H])(C)[C@]([H])(O)\C(C)=C([H])\[C@@]([H])(CC)C(=O)C[C@]([H])(O)[C@@]1([H])C)OC)[C@]1([H])CC[C@@]([H])(OC2=CC=C3N(C)C=CC3=C2)[C@@]([H])(C1)OC
DB03622	OCCC1CCN(CC1)[C@@]1(C(=O)NC(O)=NC1=O)C1=CC=CC=C1
DB03623	OC1=CC=C(C=C1)C1=CC2=C(C=CC3=C2C=NC=C3)N=C1
DB03624	C[C@H](N)[C@@H](CCCCCC(O)=O)NC(O)=O
DB03626	COC1=CC(=O)C2=C(C(COC3=CC=CC=C3)=C(C)N2C)C1=O
DB03627	C1C2CC3CC1CC(C2)C3
DB03628	CCC1=CC=C(NC(=O)P(O)(O)=O)C=C1
DB03629	CC1=C(O)C(C=O)=C(COP(O)(O)=O)C=[N+]1[O-]
DB03631	[H]N=C1C=C(C[C@]([H])(N)C(O)=O)C(=O)C=C1O
DB03632	CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](CC2=CC=CC=C2)N(C)C1=O)C(O)=O)C(O)=O
DB03633	CCCCCCCCCCCCCCCCCCOC[C@@H](O)CO[P@@](O)(=O)OCC[N+](C)(C)C
DB03635	CCS(O)(=O)=O
DB03636	NCC(N)=O
DB03637	[H]N([H])C(N([H])[H])=[N+]([H])CCCO
DB03639	NCCCCCCCNC(N)N
DB03640	N[C@@H]([C@@H](O)C(O)=O)C(O)=O
DB03641	[H]N(P(O)(O)=O)P(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)N1C=CC(=O)N([H])C1=O
DB03642	CC(C)C[C@H](NC(=O)C1=CC2=C(O1)C=CC=C2)C(=O)N[C@H]1CCCN(CC1=O)S(=O)(=O)C1=CC=CC=N1
DB03643	NC(=[NH2+])C1=CC=C2NC(=NC2=C1)C1=CC=CC=C1[O-]
DB03644	NC1=C(O)C=CC=C1C(O)=O
DB03645	ONC(=O)CP(O)(O)=O
DB03647	CC(C)N(C(=O)C1=CC=C(C)C=C1)C1=C(SC(=C1)C1=CC=CC=C1)C(O)=O
DB03648	[H]N([H])CCCC[C@H](N([H])C(=O)[C@@H](CCCC)CN([H])N([H])C[C@@H](CCCC)C(=O)N([H])[C@@H](CCCCN([H])[H])C(=O)N([H])C1=CC=CC=C1)C(=O)N([H])C1=CC=CC=C1
DB03649	OP(O)(=O)C(NC1=CC=C(Cl)C=N1)P(O)(O)=O
DB03650	OC1=CC=C(C=C1)\N=C1/C(=O)NC2=CC=CC=C12
DB03651	OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
DB03652	O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O
DB03654	[H][C@](N)(CSSCCC)C=O
DB03657	COC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
DB03658	[H]N([H])[C@@H](C(=O)N([H])[C@H](C=O)[C@@]1([H])SC(C)(C)[C@@H](N1[H])C(O)=O)C1=CC=C(O)C=C1
DB03659	CCCCN
DB03660	[H][C@](N)(CC1=CC=C(I)C=C1)C(O)=O
DB03661	N[C@@H](CS(O)(=O)=O)C(O)=O
DB03662	CCC[C@H](NCC1=C(O)C(C)=NC=C1COP(O)(O)=O)C(O)=O
DB03663	CC(C)C(=O)COC1=NC(N)=NC2=C1NC=N2
DB03664	[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)N4C=CC(=O)N([H])C4=O)[C@@H](O)[C@H]3O)C2=NC=N1
DB03666	CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O
DB03667	CC(=O)ONC(=O)C1=C(O)C=CC=C1
DB03668	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C(=O)CC(=O)NC1=O
DB03669	OCCC1=CC=C(F)C=C1
DB03670	OC(=O)C(=O)NC1=C(C(O)=O)C2=C(CNCC2)S1
DB03672	C(NC1=C2C=CC=CC2=NC2=C1CCCC2)C1=CC=CC=C1
DB03673	N[C@@H](CC1=CC=CS1)C(O)=O
DB03676	[H][C@](N)(CS[As](C)(C)=O)C(O)=O
DB03677	CCCCCCCCCCNC(=O)NC1CCCCC1
DB03679	[H][C@](N)(CC1=C(O)NC2=CC=CC=C12)C(O)=O
DB03680	OC(C([O-])=O)C([O-])=O
DB03682	OC(=O)C1=CC=CC2=C1OC1=C2C=CC=C1C(O)=O
DB03683	[H][C@@](CC(C)C)(CN(O)C=O)C(O)=O
DB03685	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O
DB03686	N[C@@H](CCC(=O)N[C@@H](CSCC1=CC=C(C=C1)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O
DB03687	C[C@](O)(CO)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O
DB03688	OCCC(O)=O
DB03690	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC
DB03691	[H][C@](O)(CC(O)=O)C(=O)N[C@@]([H])(CCC1=CC=CC=C1)C(=O)NCCC(C)C
DB03692	[H][C@](N)(COS(=O)(=O)CCCCCCCCCCCCCCCC)C(O)=O
DB03693	NCCNS(=O)(=O)C1=CC=C(Cl)C2=C1C=NC=C2
DB03695	COC1=CC(CC2=C(C)C3=C(N=C2)N=C(N)N=C3N)=C(OC)C=C1
DB03696	[H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C
DB03697	NCCCCNC(=O)C1=CC=C(C=C1)S(N)(=O)=O
DB03698	CCCCC[C@@H](C\C=C\C(=O)SCCNC(=O)CCN[C@H](O)C(=O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)[N+]1=CNC2=C(N)N=CN=C12)SCC=O
DB03699	CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC(O)=O
DB03700	C[C@@H](O)[C@@H](N)C(O)=O
DB03701	FC1=CC=C(C=C1)C(OCCN1CCN(CCCC2=CC=CC=C2)CC1)C1=CC=C(F)C=C1
DB03702	[H]N(CC(O)=O)C(=O)C1=CC=C(C=C1)C(=O)N([H])[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N([H])[C@@H](C(C)C)C(=O)C(F)(F)F
DB03703	OC1CCCCC1
DB03704	OCCCCCCCCCCCC(O)=O
DB03705	CNC1=C(C(=O)NC(N)=N1)[N+]([O-])=O
DB03706	N[C@@H](CCC(=O)N[C@@H](CS[C@@H](CO)COC1=CC=C(C=C1)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O
DB03707	CCS\C(N)=N\C1=CC=CC=C1
DB03708	NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](O)[C@H]1O
DB03709	OCCN(CCO)CC(O)=O
DB03710	CCC\C(N)=N/CCC[C@H]([NH3+])C(O)=O
DB03711	CCC(=O)CCC(C)(C)O
DB03712	CC(=O)N[C@@H](CC1=CC(C(O)=O)=C(CC(O)=O)C=C1)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O
DB03714	[H][C@@](CCC(O)=O)(NC(=O)C1=CC2=C(C=C1)C=C(C=C2)C(F)(F)P(O)(O)=O)C(N)=O
DB03716	NC1=C2N=CN([C@@H]3O[C@H](CF)[C@@H](O)[C@H]3O)C2=NC=N1
DB03717	[H]N1CC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)C1=O
DB03719	CCNC(=O)[C@@H]1O[C@H]([C@H](O)[C@H]1O)N1C=NC2=C1N=CN=C2N
DB03721	[H][C@]1(O[C@](O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO
DB03722	CC1=CC=CC2=C1CCNC2=O
DB03723	C[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N2C=C(C)C(=O)NC2=O)[C@H](O)[C@H](O)[C@H]1O
DB03725	NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1
DB03726	[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=CN=CN=C23)[C@]([H])(O)[C@]1([H])O
DB03727	CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(CCC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(CCC(O)=O)=C4C)/C(CCC(O)=O)=C3C
DB03728	OC(=O)C1=CC=C(Cl)C=C1
DB03729	NC1=NC2=C(N1)C=C(O)C=C2
DB03730	CN1C=NC2=C1[N+](C)=CN=C2N
DB03731	[H][C@](N)(CSCC[B-](O)(O)O)C(O)=O
DB03732	[H][C@@]1(O)O[C@]([H])(COP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C3N=CN3C=CN=C43)[C@]([H])(OP(O)(O)=O)[C@]2([H])O)[C@@]([H])(O)[C@@]1([H])O
DB03733	ClCCCl
DB03734	ONC(=O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O
DB03735	[H][C@]1(O)C[C@@]([H])(O[C@]1([H])CO)N1C=NC2=C(C)N=CN=C12
DB03736	[H][C@](C)(CC1CC1)C=O
DB03737	[H][C@](C)(O)[C@]([H])(N)[C@]([H])(O)C#CC1=C(F)C=CC2=C1\C(=C\C1=C(OC)C=CN1)C(=O)N2
DB03738	[H]N(CCC(=O)N([H])\C=C/S)C(=O)[C@H](O)C(C)(C)CO
DB03739	[H][C@@]1(O)C[C@@](O)(C\C(=N/O)[C@@]1([H])O)C(O)=O
DB03740	CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
DB03741	CC[C@@H](C)C(O)=O
DB03742	[H][C@]1(OC2=C(S[C@]1([H])C1=CC=C(O)C=C1)C=C(O)C=C2)C1=CC=C(OCCN2CCCCC2)C=C1
DB03744	[H][C@@](CC1=CC=CC=C1)(NC(=O)C1=CC2=C(N1)C=CC(Cl)=C2)C(=O)N1CC(C1)C(O)=O
DB03745	[H][C@@](O)(CO)[C@]([H])(O)[C@]([H])(O)COP(O)(O)=O
DB03746	N[C@H]1C=C(C[C@@H](O)[C@@H]1O)C([O-])=O
DB03747	[H][C@]12O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])N=C(C)S2
DB03748	CN([C@H]1CC[C@@H](CC1)C1=CC=C(CN2CCCCC2)C=C1)C(=O)OC1=CC=C(Cl)C=C1
DB03749	CCC1=C(O)C=C(O)C(=C1)C1=NNC=C1C1=CNC=N1
DB03750	CC(C)CC(O)=O
DB03751	CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O2)C(=O)NC1=O
DB03752	[H][C@@](C)(C(O)=O)C1=CC=C(C=C1)C(=O)C1=CC=C(I)S1
DB03753	COC(=O)[C@@H](C)C1=CC=C(C(F)=C1)C1=CC=CC=C1
DB03754	NC(CO)(CO)CO
DB03755	[H][C@]1(COP(O)(=O)OP(O)(=O)CP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O
DB03756	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O
DB03757	[H]N([H])C(=O)[C@H](C)N([H])C(=O)[C@H](C)N([H])C(=O)OC(C)(C)C
DB03758	[H]/C1=C([H])\C(=O)CC2=C(C(O)=CC(O)=C2Cl)C(=O)O[C@]([H])(C)C[C@@]2([H])O[C@]2([H])/C([H])=C\1/[H]
DB03759	[O-][N+](=O)C1=C(C=C2NC(=O)C(=O)NC2=C1)[N+]([O-])=O
DB03760	[H][C@](S)(CCS)CCCCC(O)=O
DB03761	O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=C(F)C(=O)NC1=O
DB03763	CN1C=C([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O
DB03765	NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OP(O)(O)=O
DB03766	CCC(O)=O
DB03767	[H][C@@](COCC1=CC=CC=C1)(NC(=O)[C@]([H])(CC(C)C)NC(=O)N1CCOCC1)C#N
DB03768	CC(C)CCN(C[C@@H](O)[C@@H]1CC2=CC=C(OCCCC(=O)N[C@@H](C(C)C)C(=O)N1)C=C2)S(=O)(=O)C1=CC=CC=C1
DB03769	[H][C@@](O)(CN1C=NC2=C(N)N=CN=C12)[C@@]([H])(O)C(O)=O
DB03771	CN(CC=C)C\C=C\COC1=CC2=C(C=C1)C(=CO2)C1=CC=C(Br)C=C1
DB03772	[H][C@@]1(O)C[C@@]([H])(O)[C@]([H])(OCCCCCC)O[C@]1([H])CO
DB03773	[H][C@]1(C)O[C@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O
DB03775	[H][C@@]1(C)NC(=O)N[C@]1([H])CCCCCC(O)=O
DB03777	CN(C)CCCN1C=C(C2=C1C=CC=C2)C1=C(C(=O)NC1=O)C1=CNC2=C1C=CC=C2
DB03779	N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O
DB03780	NC1=NC2=CC=CC=C2C(=O)N1
DB03781	[H][C@](C)(OC1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1)C(O)=O
DB03782	NC(N)=NC1=CC=C(CNC(=O)NC23CC4CC(CC(C4)C2)C3)C=C1
DB03783	CCOC1=CC=C(NC(C)=O)C=C1
DB03784	CCCCCCCC\C=C\CCCCCCCC(N)=O
DB03785	[H][C@@](O)(CC[C@@]1([H])[C@@]([H])(C)C=CC2=C[C@]([H])(C)C[C@]([H])(OC(=O)[C@@]([H])(C)CC)[C@]12[H])C[C@@]([H])(O)CC(O)=O
DB03787	CC1=NC=C(COP(O)(O)=O)C(C\N=C2/CONC2=O)=C1O
DB03788	CC1=CC(OCC(O)=O)=CC(C)=C1CC1=CC=C(O)C(CC2=CC=CC=C2)=C1
DB03790	CS(=O)(=O)CC[C@H](N)C(O)=O
DB03791	OC(=O)CC1=CC(OCCCN(CC(C2=CC=CC=C2)C2=CC=CC=C2)CC2=C(Cl)C(=CC=C2)C(F)(F)F)=CC=C1
DB03792	NC1=CNC(=O)NC1=O
DB03793	OC(=O)C1=CC=CC=C1
DB03795	CC(C)(CO)C(=O)C(O)=O
DB03796	CCCCCCCCCCCCCCCC(O)=O
DB03798	NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1
DB03799	N[C@@H](CCSC(F)(F)F)C(O)=O
DB03800	O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O
DB03801	N[C@@H](CCCCNC(O)=O)C(O)=O
DB03802	[H][C@@]12CCCCN1CCN(C2)C1=CC=C(C=C1)[C@@]1([H])N(CCC2=CC(O)=CC=C12)C1=CC=CC=C1
DB03803	CC(C)[C@H](NC(=O)[C@H](OCC1=CC=CC=C1)[C@H](O)[C@@H](O)[C@@H](OCC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)NCC1=NC=CC=C1)C(=O)NCC1=CC=CC=N1
DB03804	[H][C@]1(O)C[C@@]([H])(O[C@]1([H])CO)N1C=C(C2=CC=C(Br)S2)C(=O)NC1=O
DB03807	CCOC(=O)C1=C(C)N(N=C1C)C1=C(Cl)C=CC=C1
DB03808	NC(=N)C1=CC=C(OCCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1
DB03809	CCCCN1C(CC2=CC=CC(OC)=C2)=NC2=C(N)N=CN=C12
DB03811	[H][C@@]([NH3+])(CO)CC1=CN=CN1
DB03812	OC[C@@H](O)[C@H](O)[C@@H](O)CN1C(=O)N(CCCOP(O)(O)=O)C2=C1NC(=O)NC2=O
DB03813	CCCCCCC\C=C/C(=O)SCCNC(C)=O
DB03814	[O-]S(=O)(=O)CC[NH+]1CCOCC1
DB03815	[H][C@@](C)(O)[C@@]([H])(O)[C@@]([H])(O)[C@]([H])(O)CO
DB03816	N[C@@H](CCSC(F)F)C(O)=O
DB03817	NCC[C@H](N)C(O)=O
DB03818	[H][C@@]1(CCCN1S(=O)(=O)C1=CC=C(C)C=C1)C(=O)NCCS
DB03819	ONC(=O)C1=CC=CC=C1O
DB03820	[H]N([C@@H](CCCCC(=O)N([H])[C@@H]1C(=O)N2[C@@H](C([O-])=O)C(C)(C)S[C@]12[H])C([O-])=O)C(=O)C[N+]([H])([H])[H]
DB03821	[H][C@@](N)(C(O)=O)[C@@]([H])(O)OP(O)(O)=O
DB03822	CCOP(O)(O)=O
DB03824	IC1=CC2=C(CCNC2)C=C1
DB03825	[Cl-].CCNC1=CC2=[O+]C3=C(C=C(C)C(NCC)=C3)C(C3=CC=CC=C3C(=O)OCC)=C2C=C1C
DB03827	[H][C@](CCP([O-])(=O)OCC[N+](C)(C)C)(COC(=O)CCCCC)OC(=O)CCCCC
DB03828	CC1=CC(C=O)=C(OP(O)(O)=O)C(C=O)=C1
DB03830	NC1=NC2=NC=C(CNC3=CC=C(C=C3)C(=O)OP(O)(O)=O)N=C2C(=O)N1
DB03832	[H][C@@](CC(O)=O)(C[N+](C)(C)C)OC(=O)CCCCCCC
DB03833	[H][C@]1(CCCN1)C(=O)C1=NN=C(O1)C(C)(C)C
DB03834	CC(CN1C=CN=N1)([C@@H](N\C=C/C=O)C(O)=O)S([O-])=O
DB03835	CC(=O)NN1C(=O)N[C@@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O
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DB03924	NC1=CC=C(N)C2=C1C(=O)C1=C(O)C=CC(O)=C1C2=O
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DB03927	[H][C@](C)(N=C(O)CCCC[C@]([H])(N=C(O)CN)C(O)=O)C(O)=O
DB03928	OC(=O)CSC1=NC(=NO1)C1=CC=CC(Cl)=C1
DB03929	N[C@H](CO)C(O)=O
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DB03939	[H]N1C=C[C@H](O)N([H])C1=O
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DB03945	C[N+](C)(C)CCOP(O)(O)=O
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DB03948	[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(Cl)[NH+]=CN=C23)[C@]([H])(O)[C@]1([H])O
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DB03975	OC(=O)C1=CC=C([Hg])C=C1
DB03976	CC(C)OP(O)(O)=O
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DB03978	[H][C@](N)(CC1=CC=C(O)C=C1)C=O
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DB04006	NC1=C(N2C=C(C=CC2=N1)C(=O)C1=C(F)C=CC=C1F)C(=O)C1=CC=CC=C1
DB04007	CC1(C)N=C(N)N=C(N)N1OCCCOC1=CC=C(Br)C=C1
DB04008	[H]N=C(N)C1=CC2=C(C=C1)N1[Zn]N3C(CC1=[NH+]2)=[NH+]C1=C3C=CC(=C1)C(N)=N[H]
DB04009	COC(=O)CCC1=C(C)C2=CC3=C(C=C)C(C)=C4C=C5N6C(=CC7=C(C)C(CCC(=O)OC)=C8C=C1N2[Fe@@]6(N78)N34)C(C)=C5C=C
DB04010	COC1=CC=CC(=C1)C1=NC2=C(N1)C=CC=C2C(N)=O
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DB04014	[O-][N+](=O)C1=CC2=C(NC3=C2CC(=O)NC2=C3C=CC=C2)C=C1
DB04015	CSCC[C@H](N)P(O)=O
DB04016	CN(C1CCN(CC1)C(=O)C1=CC2=CC=CC=C2C=C1)C(=O)C1=CC2=CC=CC=C2C=C1C(=O)[C@@H](C1=CC=CC2=CC=CC=C12)P(O)(O)=O
DB04017	CN(CCCOC1=CC=C(Cl)C=C1Cl)CC#C
DB04018	CC(C)SC(N)=N
DB04020	OC1=CC=C(CCNC2=NC(SCCCC3=CC=C(Cl)C=C3)=NC(=N2)N2CCNCC2)C=C1
DB04021	[H][C@]1(C)CN(CCCCCCCCNC=O)C[C@@]([H])(C)O1
DB04022	[H][C@]1(COP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C2NC(=N)N=C3O)[C@]([H])(O)[C@]1([H])OP(O)(=O)OP(O)(O)=O
DB04023	NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)C(O)=O)[C@@H](O)[C@H]2O)C(=O)N1
DB04024	[H][C@](N)(CO)C(O)=N[C@]1([H])[C@@]([H])(CO)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]1([H])O
DB04027	N[C@H](CCCNC(N)=N)C(O)=O
DB04028	[H][C@]1(O)C[C@]([H])(O)[C@@]([H])(O)O[C@]1([H])C
DB04029	[H][C@](N)(CC1=CC=CC=C1)C(N)=O
DB04030	OC1=CC=C(CN2C3=C(CCN(C3)C(=O)C3=CC=C(O)C=C3)C3=CC=CC=C23)C=C1
DB04031	N[C@@H](CO[V](O)([O-])([O-])[O-])C(O)=O
DB04032	CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCNC(=O)C12CC3CC(CC(C3)C1)C2
DB04033	[H][C@@](C)(NC(=O)OCC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(O)=O
DB04034	OCC(=O)[C@@H](O)[C@H](O)COP(O)(O)=O
DB04035	CC(C)(O\N=C(/C(=O)NCB(O)O)C1=CSC(N)=N1)C(O)=O
DB04036	[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSS)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1
DB04037	ClC1=CC=C(CN(CC2=CC=C(Cl)C=C2)C2=NNN=N2)C=C1
DB04039	CCCCCCCCCCCCC(=O)CC(O)=O
DB04040	[H][C@]1(CO)O[C@]([H])(OC2=CC(=CC(=C2)N(=O)=O)C(O)=NC(CN2CCOCC2)CN2CCOCC2)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O
DB04041	[H]\C(=C(\[H])C1=C(C=C(C=C1)N(=O)=O)N(=O)=O)C1=C(N[C@]([H])(SC1)[C@]([H])(N=C([O-])CC1=CC=CS1)C(=O)OC[C@]([H])(N)C([O-])=O)C(O)=O
DB04042	[H][C@](O)(OC)C1=CC=C(CN2[C@]([H])(COC3=CC=CC=C3)[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(COC3=CC=CC=C3)N(CC3=CC=C(CO)C=C3)S2(=O)=O)C=C1
DB04043	OC(=O)CCCCCC\C=C/[C@@H]1O[Fe@]23ON1CCCC[C@@H](NC(=O)[C@@H]1CO[C@H](N1)C1=CC=CC=C1O2)C(=O)OCCC(=O)N[C@@H]1CCCCN(O3)C1=O
DB04044	OC(=O)C1=C(C=C(OC2=C(NC(=O)C3=CC(=CC=C3)[N+]([O-])=O)C=CC=C2)C=C1)C(O)=O
DB04045	[H][C@@](C)(C(O)=O)C(=O)SCCN=C(O)CCN=C(O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O
DB04047	NC1=NC2=NC=C(CO[P@](O)(=O)OP(O)(O)=O)N=C2C(=O)N1
DB04048	C[C@@H](NC(N)=O)C(O)=O
DB04050	CCC[N+]#[C-]
DB04051	OC(=O)CCCCC1=CC=CC=C1
DB04052	CC1=CC=C(O)C=C1C
DB04053	[O-]P=O
DB04054	CCCCN1C(CC2=C(OC)C=CC(OC)=C2)=NC2=C(N)N=C(F)N=C12
DB04055	CC[N+]1=C(C)C(C(=O)OC(C)C)=C(C2=CC=CC=C2Cl)C(C(O)=O)=C1C(O)=O
DB04057	[H]\C(=C(\[H])C1=C(N=CN1[C@]1([H])O[C@]([H])(COP(O)(O)=O)[C@@]([H])(O)[C@@]1([H])O)C(O)=N)C(=O)N(CC1=NC2=C(NC(=N)N=C2O)C=C1)C1=CC=C(C=C1)C(=O)N[C@@]([H])(CCC(O)=O)C(O)=O
DB04058	[H][C@@](CC1=CC=CC=C1)(NC(N)=O)C(O)=O
DB04059	NC(=N)C1=CC2=C(C=CC=C2NC2=NC=CC=N2)C=C1
DB04062	C[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
DB04063	CC(C)C[C@](C)(N)C(O)=O
DB04064	COC(=O)C1=C(C)CC(=O)C2=C(O)C3=C(C=C12)C(=O)C1=CC=CC(O)=C1C3=O
DB04065	O=CN(C1CCC1)C1CCCC1
DB04066	OC(=O)\C=C\C1=CC=C(O)C=C1
DB04067	[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSCC4=CC=C(O)C=C4)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1
DB04068	[H]N1C(=O)C=CN([C@H]2C[C@]([H])(F)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C1=O
DB04069	NC1=NN=C2C(CCC3=CC=CC=C23)=C1
DB04070	[H][C@@]1(C)C[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C(=O)O[C@]([H])(CC)[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C1=O
DB04071	NC(=O)C1=NC(=CC=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O
DB04072	C[C@@](O)([C@H](CC(O)=O)C(O)=O)C(O)=O
DB04073	[H]N([H])CCCN1CCN(CCCN([H])C(=O)C2=CC(=CC(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)=C2)[N+]([O-])=O)CC1
DB04074	CC(C)C(=O)C(O)=O
DB04075	CC(=O)N[C@@H](CCC(O)=O)C(O)=O
DB04076	O=C1N=CNC2=C1NC=N2
DB04079	[H][C@@](O)(CO)[C@]([H])(O)CCCC
DB04080	OC(=O)C(C(O)=O)C1=CC=CC=C1
DB04081	[H][C@]1(C)C[C@]([H])(NC)C2=C(SC(=C2)S(N)(=O)=O)S1(=O)=O
DB04082	CCCCCCCCCCOCO
DB04083	[H]\C(=N/CCCC[C@]([H])(N)C(O)=O)C1=C(COP(O)(O)=O)C=NC(C)=C1O
DB04084	OC[C@H]1O[C@H](O)[C@@H](F)[C@@H](O)[C@@H]1O
DB04085	O=C1C=CC(=O)N1COCN1C(=O)C=CC1=O
DB04086	[H][C@]1(CO)O[C@@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@@]([H])(OC3=C(C=C(C=C3)N(=O)=O)N(=O)=O)[C@]([H])(F)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O
DB04087	[H][C@](O)(CCO)[C@]([H])(O)COP(O)(O)=O
DB04088	[H]N(CCCCOC1=CC=CC(O)=C1C(=O)OC)C(=O)[C@H](CC1=CC=C(C=C1)N(C(=O)C(O)=O)C1=CC=CC=C1C(O)=O)N([H])C(=O)OCC=C
DB04089	[H][C@]1(O)CN(CC2=CC=CS2)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O
DB04090	CC1=C(N2CC2)C(=O)C(CO)=C(N2CC2)C1=O
DB04092	C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(N)=O
DB04094	CC(=O)CCO
DB04095	O=C1NC=NC2=C1NC=C2
DB04097	[H]N1C(=O)C=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@@]([H])(F)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C1=O
DB04098	OC(=O)C1=CC=CC(O)=C1C(=O)C1=C(O)C=C(C=C1O)C(=O)O[C@@H]1CCCNC[C@@H]1NC(=O)C1=CC=C(O)C=C1
DB04099	NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)[N+]4=CC=CC(=C4)C(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1
DB04101	CC1=NC(C)=C(S1)C1=NC(\N=C\NO)=NC=C1
DB04103	C[N+]1=C(N)C=CNC1=O
DB04104	CN1C=NC(N)=C2N=CN=C12
DB04105	CCCCCCCNC=O
DB04106	CCOP(=O)(OCC)[C@@H](C)NC(=O)N(CCCl)N=O
DB04107	CCOC(=O)CO\N=C(\C1=CC=CC=N1)C1(CC1)C1=CC=C2N(C)C(CNC3=CC=C(C=C3)C(N)=N)=NC2=C1
DB04108	[H][C@](N)(CCSCC)[C@]([H])(O)C(=O)N[C@@]([H])(C)C1=C2C=CC=CC2=CC=C1
DB04109	NC(=[NH2+])C1=CC=C(COB2OCCO2)C=C1
DB04112	[H]N([C@H](COCCCCCCCCCCCCCCCCCC)COP(O)(=O)OCCSC)C(C)=O
DB04113	O=CN1CCCCC1
DB04114	[H][C@]12CC3=C(C(N)=C4C=CC(Cl)=CC4=N3)[C@]([H])(CC(CC)=C1)C2
DB04115	COC1=CC=C2C=C3C4=CC5=C(OCO5)C=C4CC[N+]3=CC2=C1OC
DB04116	OC[C@H]1O[C@@H](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O
DB04117	[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSC(=O)\C=C\C4=CC=C(C=C4)N(C)C)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1
DB04119	Br.Br.Br.Br.Br.Br.Br.Br.Br.Br.Br.[Br-].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta+]
DB04120	CC1=CC=C(O)C(O)=C1
DB04121	[H][C@]1(COP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C2NC(=N)N=C3O)[C@]([H])(O)[C@]1([H])OP(O)(O)=O
DB04122	O[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O
DB04123	[H][P@](O)(=O)CNC(=O)CC1=CC=C(I)C=C1
DB04124	[H]\C(C)=C(/[H])\C(\[H])=C(/[H])[C@]1([H])O[C@](O)([C@]([H])(CC)C(O)=NC\C([H])=C(/[H])\C(\[H])=C(/C)[C@@]([H])(OC)[C@@]([H])(C)[C@]2([H])O[C@]([H])(C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/C)C(=O)C3=C(O)C=CN(C)C3=O)[C@]([H])(O)[C@]2([H])O)[C@]([H])(O)[C@]([H])(O)C1(C)C
DB04125	CC(=O)N1CCN(CC1)C(=O)[C@H](CC1=CC=CC(=C1)C(N)=N)NS(=O)(=O)C1=CC=C2C=CC=CC2=C1
DB04126	[H][C@](O)(CC(O)=O)C(=O)N[C@@]([H])(CC(C)C)C(=O)NCCC(C)C
DB04127	[H][C@@]1(O)O[C@]([H])(COP(O)(O)=O)[C@@]([H])(O)[C@]1([H])O
DB04128	[H][C@@](O)(CO)[C@@]([H])(O)[C@@]([H])(O)CNC1=C(N=O)C(O)=NC(O)=N1
DB04129	NOC(=O)CCN1C=CC(=O)NC1=O
DB04130	COC1=CC2=C(C=C1)N=CN2
DB04131	[H][C@@]1(C[C@]([H])(N(C)C)[C@]([H])(O)[C@]([H])(C)O1)O[C@@]1([H])C[C@](O)(CC)CC2=CC3=C(C(O)=C12)C(=O)C1=C(C=CC=C1O)C3=O
DB04132	[H][C@](N)(CCC(O)=N[C@@]([H])(CSCCCCCC)C(O)=NCC(O)=O)C(O)=O
DB04133	[H][C@@](NC(=O)CC1=CC=CS1)(C=O)[C@]1([H])NC(C(O)=O)=C(C)CS1
DB04135	[H][C@@]1(O)NC(O)=NC=C1F
DB04136	[H][C@@](O)(CO[C@@]([H])(O)CCCCCCCCCCCCCC)COP(O)(=O)OC[C@]([H])(N)C(O)=O
DB04137	NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1
DB04138	OC(=NCC(=O)C=O)C1=CC(N(CCBr)CCBr)=C(C=C1N(=O)=O)N(=O)=O
DB04139	CC1=C(CCCO)NC(=O)NC1=O
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DB04141	[H][C@]1(O)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCC)[C@]1([H])O
DB04142	CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C2=C(O1)C=C(C=C2)S(=O)(=O)N(C)C
DB04143	[H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)C1=CNC2=C1C=CC=C2
DB04144	[H][C@]1(N=C(N(C(=O)N2CCNCC2)[C@]1([H])C1=CC=C(Cl)C=C1)C1=C(OC(C)C)C=C(OC)C=C1)C1=CC=C(Cl)C=C1
DB04145	OCC1=CC=CN=C1
DB04147	CCCCCCCCCCCC[N+](C)(C)[O-]
DB04149	[H][C@]1(CNC(=O)C1)C1=CC(OC2CCCC2)=C(OC)C=C1
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DB04151	CN1C=NC(C[C@H](N)C(O)=O)=C1
DB04152	N[C@@H](CC1=CCCCC2=C1C(=O)NO2)C(O)=O
DB04153	N[C@@H](CCC(=O)N[C@@H](CSCO)C(=O)NCC(O)=O)C(O)=O
DB04154	CN(C(C)=O)C1=CC=CC(=C1)C1=NN=C2C=CC(=NN12)C1=CC=CC=C1
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DB04157	NOC(=O)NC1=CC=CC=C1
DB04158	[H][C@]1(COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OCC2=NC3=C(NC2)NC(=N)N=C3O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O
DB04160	OP(O)(=O)OP(O)(O)=O
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DB04168	NC1=NC(=C(Br)C(O)=N1)C1=CC=CC=C1
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DB04173	OC[C@@H]1O[C@@](O)(CO)[C@H](O)[C@H]1O
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DB04175	OC(=O)CCC1=C(NC2=C1C(Cl)=CC(Cl)=C2)C(O)=O
DB04176	[H][C@]1(COP(O)(O)=O)O[C@]([H])(N2C=NC3=C2C=CC(OC)=C3)[C@]([H])(O)[C@]1([H])O
DB04178	[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC
DB04179	O1C=CC2=C1C=CC=C2
DB04180	NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=C(F)C=C(F)C=C1
DB04182	[H][C@](N)(CCSC[C@@]([H])(O)[C@@]([H])(O)C(=O)CO)C(O)=O
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DB04185	CCC[C@H](N)C(O)=O
DB04186	[H][C@]12CCCN1C(=O)C1=C2C(NC(=O)NC2=CC=CC=N2)=CC=C1
DB04187	[H][C@](N)(CCC(O)=N[C@@]([H])(CS[C@@]1([H])C2=CC=CC=C2C2=CC=CC=C2[C@]1([H])O)C(O)=NCC(O)=O)C(O)=O
DB04190	[H][C@](C[C@@]([H])(O)[C@@]([H])(OCC1=CC=CC=C1)C(O)=N[C@@]1([H])C2=CC=CC=C2C[C@@]1([H])O)(OCC1=CC=CC=C1)C(O)=N[C@@]1([H])C2=CC=CC=C2C[C@@]1([H])O
DB04191	[H][C@@](C)(N)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CC1=CC=CC=C1)[C@@]([H])(O)CCC(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(C(C)C)C(=O)OC
DB04194	[H][C@@]1(O)O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])N=C(C)O)[C@]([H])(O)[C@@]2([H])N=C(C)O)[C@]([H])(O)[C@@]1([H])N=C(C)O
DB04195	C[C@]1(OP(O)(O)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
DB04196	NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C(O)=O)C=N2)C(O)=N1
DB04197	N\C(NO)=N/CCC[NH3+]
DB04198	[H][C@]1(CO)O[C@@]([H])(C2=C3N=CNC(=O)C3=NN2)[C@]([H])(O)[C@]1([H])O
DB04199	[H][C@](O)(COC(=O)CCCCC)COP(O)(O)=O
DB04200	[H][C@]1(CC2=CC=C(O)C(OC)=C2)COC(=O)[C@]1([H])CC1=CC=C(O)C(OC)=C1
DB04201	[H][C@](N)(CC1=CN=CN1)C(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O
DB04203	NC1=CC=C(C=C1[Hg])S(N)(=O)=O
DB04204	OP(O)(=O)C(F)(F)C1=CC=C(CCCCC2=CC=C(C=C2)C(F)(F)P(O)(O)=O)C=C1
DB04205	[H][C@@]1(C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=C(C)C(=O)NC1=O)OP(O)(O)=O
DB04206	[H][C@](N)(CC1=CNC2=C1C=CC=N2)C(O)=O
DB04207	N[C@@H](CCCCN[C@@H](CCC(O)=O)C(O)=O)C(O)=O
DB04208	COC1=C(OC)C=C(CCC(O)=O)C=C1
DB04209	CC1=CC(N)=C2C=CC=CC2=[N+]1CCCCCCCCCC[N+]1=C(C)C=C(N)C2=C1C=CC=C2
DB04210	OCC1OC(OC2=CC(=CC(=C2)[N+]([O-])=O)C(=O)NCCCN2CCN(CCCNC3=C(NCCCN4CCN(CCCNC(=O)C5=CC(=CC(O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)=C5)[N+]([O-])=O)CC4)C(=O)C3=O)CC2)C(O)C(O)C1O
DB04212	CC(=[NH2+])C([O-])=O
DB04213	O=C(NCCCC1=CC=CC=C1)NC1CCCCC1
DB04214	OP(O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O
DB04215	CC1=CC(Br)=C([O-])C(=C1)C1=CC2=CC(=CC=C2N1)C(N)=[NH2+]
DB04216	OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1
DB04217	N[C@@H](C#C)C(O)=O
DB04218	[H][C@]1(CO)O[C@@]([H])(N2C=NC3=C(N)C=CN=C23)[C@]([H])(O)[C@]1([H])O
DB04220	CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(=O)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)CC(=O)OCC3CCCN(C)C3)[C@@H]1C)=C(N1CCOCC1)C2=O
DB04221	CCCCCCCCCC[N+](C)(C)CCCCCCCCCC
DB04222	CSC[S@](=O)C[C@H](CO)NC(=O)\C=C\C1=C(C)NC(=O)NC1=O
DB04223	N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(O)=O
DB04224	CCCCCCCC\C=C\CCCCCCCC(O)=O
DB04227	[H][C@@](O)(CN)[C@@]([H])(O)[C@]1([H])OC(=C[C@]([H])(O)[C@@]1([H])N=C(C)O)C(O)=O
DB04229	OC(=O)CN(CCN(CC(O)=O)CC(=O)NCCS)CCN(CC(O)=O)CC(=O)NCCS
DB04230	[H][C@](O)(C(O)=NCCC(O)=NCCCN(=O)=O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O
DB04232	[H][C@@]1(CN(CCN1S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)OCC1=CC=CC=C1)C(=O)NO
DB04233	CCCCCCCCOCCOCCOCCOCCO
DB04234	[H][C@@](CCCC)(NC(=O)[C@]([H])(CC(C)C)NC(=O)OCC1=CC=C(Br)C=C1)C=O
DB04235	[H][C@@](N)(CC)CCC(O)=O
DB04237	NC(CCO)(CCO)CCO
DB04238	[H][C@@](CC1=CC(=CC=C1)C(N)=N)(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)N1CCCC[C@]1([H])C(O)=O
DB04239	NCC1=CC(CSC2=CC=CC=C2)=C2N=C(N)NC(=O)C2=C1
DB04241	CC1=NC=C(COP(O)(O)=O)C(CNC(C)(C)C(O)=O)=C1O
DB04242	OC(=O)C1=CC=C(O)C=C1
DB04243	[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=C(C)C(O)=NC2=O)[C@]([H])(O)[C@]1([H])O
DB04244	[H]N(C[C@@H](O)CN([H])S(=O)(=O)C1=CC=CC=N1)C(=O)[C@H](CC(C)C)C1=CC=CC(=C1)C1=CC=CC=C1
DB04246	NC(=N)C1=CC2=C(C=C1)N=C(N2)C1=CC(CC[NH3+])=CC(=C1O)C1=CC=CC=C1
DB04248	[H][C@@]1(O)O[C@]([H])(CO)[C@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O
DB04249	[Zn+4].[H]\C(C)=C1\C(C)=C2[N-]\C\1=C([H])/C1=C(C)C(=C([H])C)\C([N-]1)=C([H])\C1=C(C)C(CCC(O)=O)=C([N-]1)\C([H])=C1/[N-]\C(=C/2\[H])C(C)=C1CCC(O)=O
DB04250	CCCC(=O)SCC[N+](C)(C)C
DB04252	NC(=O)N[C@@H](CC(O)=O)C(O)=O
DB04253	NC(=O)C1=CC(N2CC2)=C(C=C1[N+]([O-])=O)[N+]([O-])=O
DB04254	CCCCN1C(CC2=CC3=C(OCO3)C=C2)=NC2=C(N)N=C(F)N=C12
DB04255	[H][C@@](O)([C@@]([H])(O)[C@@]([H])(OCC1=CC=CC=C1)C(O)=N[C@@]1([H])C2=CC=CC=C2C[C@@]1([H])O)[C@@]([H])(OCC1=CC=CC=C1)C(O)=N[C@@]([H])(C(C)C)C(O)=NC
DB04256	C[C@@](N)(C(O)=O)C1=CC=C(C=C1)C(O)=O
DB04257	CCCCCC\C=C/CCCCCCCC(O)=O
DB04258	[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)\C=C\C=C\C(O)(CC)CC
DB04260	NC1=NC2=C(N=CN2CCCCC(F)(F)P(O)(O)=O)C(=O)N1
DB04261	NC(O)=O
DB04262	[H][C@@](O)(CO)[C@@]([H])(O)[C@@]([H])(O)CN1C(O)=C(CCC(O)=O)N=C2C(O)=NC(=O)N=C12
DB04263	[H][C@](C)(O)[C@@]1([H])O[C@]([H])(O[C@]2([H])[C@@]([H])(N)C[C@@]([H])(N)[C@]([H])(O[C@@]3([H])OC[C@](C)(O)[C@]([H])(NC)[C@@]3([H])O)[C@@]2([H])O)[C@]([H])(N)[C@@]([H])(O)[C@]1([H])O
DB04264	NC1=NC(O)=C2C=C(C[C@@H](C(O)=O)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C=CC2=N1
DB04265	CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
DB04267	OC(=O)C1=CC=CC(=N1)C(O)=O
DB04268	[H][C@]1(CO)O[C@@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@@]([H])(O[C@]3([H])[C@@]([H])(CO)O[C@]([H])(OC4=CC5=C(C=C4)C(C)=CC(=O)O5)[C@]([H])(N=C(C)O)[C@@]3([H])O)[C@]([H])(N=C(C)O)[C@@]2([H])O)[C@]([H])(N=C(C)O)[C@@]([H])(O)[C@]1([H])O
DB04269	[H]\C1=C([H])/[C@]([H])(CC2=CC=C(O)C=C2)N=C(O)[C@@]([H])(CC2=CC=CC=C2)NC(=O)C(=O)[C@]([H])(CCCNC(N)=N)N=C(O)[C@]2([H])CCCN2C(=O)[C@]([H])(CN=C1O)N=CO
DB04270	[H][C@@](CC1=CC=C(OCCN2C3=C(C=CC=C3)C3=C2C=CC=C3)C=C1)(OCC)C(O)=O
DB04271	CCOC(=O)C1=C(C)NN=C1C
DB04272	OC(=O)CC(O)(CC(O)=O)C(O)=O
DB04273	ClC1=CC=C2CCCNCC2=C1Cl
DB04275	CC(=O)NCCC1=CNC2=C1C=C(O)C=C2
DB04276	CC(C)C[C@H](NC(=O)[C@@H](O)CC(O)=O)C(=O)NCCCCNC(N)=[NH2+]
DB04277	OCC(=O)[C@@H](O)[C@@H](O)[C@H](O)COP(O)(O)=O
DB04278	[H][C@@](C)(N=C(O)CN=C(O)[C@]([H])(NC(N)=N)C1CCCCC1)C(O)=NCCCS
DB04279	CC(C)C(C(O)C(O)=O)C(O)=O
DB04280	[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=C[C@@]([H])(O)N=C1O
DB04281	[H]C1(CCC(CC1)=C1C(O)=C(O)C2=CC=CC=C2C1=O)C1=CC=C(Cl)C=C1
DB04282	[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])F
DB04284	C[N+]1(C)CCC[C@H]1C([O-])=O
DB04285	[H]\C(C[C@](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)(N1N=NC2=CC=CC=C12)C1=NC2=CC=CC=C2S1)=C(\[H])C1=CC=CC=C1
DB04286	O[C@@H]1CO[C@@H](O)[C@H](O)[C@@H]1O
DB04287	[H][C@](CCC(O)=O)(CC1=CC=C(OCC2=CC=CC=C2)C=C1)N=C(O)CCCCCCC1=CC=CC=C1
DB04288	[H][C@]1(N)CC[C@@]([H])(CC1)NC1=NC(NCC2=CC=CC=C2)=C2N=CN(C3CCCC3)C2=N1
DB04289	O=C(N1CCN(CC1)C1C2=CC=CC=C2C2=CC=CC=C12)C1=CC2=C(NC=C2)C=C1
DB04293	N[C@@H](C(=O)N[C@@H]1[C@H]2CCC(Cl)=C(N2C1=O)C(O)=O)C1=CC=CC=C1
DB04294	[H][C@]1(O)[C@@]([H])(O)[C@@]([H])(OP(O)(=O)CP(O)(O)=O)O[C@]1([H])COP(O)(O)=O
DB04295	[H][C@]1(CO)O[C@@]([H])(N=C(O)N=C(O)C2=CC=CC=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O
DB04296	[H][C@](N)(CCC(C)=O)C(O)=O
DB04297	ONC(=O)\C=C\C(\C)=C\[C@](C)([H])C(=O)C1=CC=C(N(C)C)C=C1
DB04298	CC1=CC(SC2=C(O)C[C@](CCC3=CC=C(O)C=C3)(OC2=O)C2CCCC2)=C(C=C1N)C(C)(C)C
DB04299	OC(=O)\C=C/C(O)=O
DB04301	NC(=N)C1=CC2=C(C=C1)N=C(N2)C(O)(O)C1=NC2=C(N1)C=C(C=C2)C([NH3+])=[NH2+]
DB04302	C\C(C=C)=C/[C@@]1(C)SC(=O)C(C)=C1O
DB04303	[H][C@]1(O)O[C@]([H])(C(O)=O)[C@@]([H])(OC)[C@]([H])(O)[C@@]1([H])O
DB04304	OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O
DB04306	CC1=CC=C(SC2=CC=CC3=C2C(N)=NC(N)=N3)C=C1
DB04307	[H][C@]1(CCC2=CC=C(O)C=C12)NCC#C
DB04310	[H][C@@](CCCCC)(CC(=O)NO)C(=O)N[C@@]([H])(C(C)C)C(=O)N1CCC[C@@]1([H])CO
DB04311	NCCCCC1=CC=CC=C1
DB04312	OCC1=CC=CC(F)=C1F
DB04314	CN1C=CC(N)=NC1=O
DB04315	NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1
DB04316	[H]N(O)C(=O)N([H])[C@H](CC1=CC=CC=C1)C(O)=O
DB04317	OC(=O)C(CP(O)(O)=O)=C(Cl)Cl
DB04318	[H]N([H])C(=O)[C@H](CC1=CN([H])C2=CC=CC=C12)N([H])C(=O)[C@H](CCCC1=CC=CC=C1)CP(O)(=O)[C@@H](CC1=CC=CC=C1)N([H])C(=O)OCC1=CC=CC=C1
DB04320	OCC(Br)=C
DB04322	[H][C@@](CCC(O)=O)(NC(=O)C1=CC=C(CC[C@]2([H])CNC3=C(C2)C(O)=NC(=N)N3)C=C1)C(O)=O
DB04324	[H][C@]1(CC=C(C)C)O[C@]1(C)[C@@]1(O)[C@]([H])(OC)C(=O)CC[C@@]1(C)O
DB04325	NCCC1=CC=CC=C1
DB04326	OCC(=O)COP(O)(O)=O
DB04327	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](O)(=O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC
DB04328	O[C@@H]1CC(=C[C@@H](OP(O)(O)=O)[C@H]1O)C(O)=O
DB04330	[H][C@]1(O[C@@]2(C(=O)C3=C(C=C(C)C=C3)C2=O)[C@]([H])(C(O)=O)[C@]1([H])C(=O)NC1=CC=C(C=C1)C1=CSN=N1)C1=CC(Cl)=C(Cl)C=C1
DB04331	[H][C@]1(NC(=S)NC(C)=C1C(=O)OCC)C1=CC=CC(O)=C1
DB04334	N[C@@H](CC1=CC(=O)C(O)=CC1=O)C(O)=O
DB04335	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1NC=NC2=O
DB04336	NC(=N)C1=CC=C(NC(=O)NC2=CC=C(Cl)C=C2)C=C1
DB04337	C[N+]#[C-]
DB04338	NC1=NC=CC(=N1)C1=C(N=CN1C1CCNCC1)C1=CC=C(F)C=C1
DB04339	N[C@@H](CSCC(O)=O)C(O)=O
DB04340	[O-]C(=O)C1=CC=CC=C1OP([O-])=O
DB04342	CO[C@]1(NC(=O)[C@H](C(O)=O)C2=CC=C(O)C=C2)[C@H]2OCC(CSC3=NN=NN3C)=C(N2C1=O)C(O)=O
DB04343	OC(=O)C=O
DB04345	CC1=CC2=NC3=C(N=C2C=C1C)C(=O)NC(=O)N3
DB04346	[H][C@]1(O)CO[C@@](C)(O)C1(O)O
DB04347	O[C@@H]1CC(=CC(=O)[C@H]1O)C(O)=O
DB04348	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O
DB04349	C[C@H](O)CO
DB04350	CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](CC2=CNC=N2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O
DB04351	[O-]C(=O)C\C(=C\C([O-])=O)C([O-])=O
DB04352	[H][C@@]1(O)O[C@]([H])(COP(O)(O)=O)[C@@]([H])(O)[C@@]1([H])O
DB04353	[H]N([H])C(=O)CC[C@H](N([H])C(=O)[C@H](CC(=O)[C@H](CC1=CC=CC=C1)N([H])C(=O)OC(C)(C)C)CC1=CC=CC=C1)C(=O)N([H])[C@@H](CC1=CC=CC=C1)C(=O)N([H])[H]
DB04356	NC1=NC2=C(NC=C2)C(=O)N1
DB04359	OS(=O)(=O)C=C
DB04360	OB(O)C1=CC2=C(S1)C=CC=C2
DB04361	[H]N=NC
DB04363	[H]N1C(=O)C(C)=C(CC)\C1=C\C1=N\C(=C/C2=C(C)C(CCC(O)=O)=C(\C=C3/N([H])C(=O)C(C)=C3CC)N2[H])\C(C)=C1CCC(O)=O
DB04365	COC(=O)C1=CCCN(C)C1
DB04366	[H][C@]1(COP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])N
DB04367	NC1=NC(=O)\C(N1)=C1/CCNC(=O)C2=C1C=CN2
DB04368	[H][C@@](CCCC)(CN(O)C=O)C(=O)N[C@]([H])(C(=O)N(C)C)C(C)(C)C
DB04369	OB1OCCO1
DB04371	COC1=CC(=CC=C1)N1C=CC2=C(SC(=C2)S(N)(=O)=O)S1(=O)=O
DB04372	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
DB04373	CC(C)C[C@@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)COC1=C(C)C=CC=C1C)NC(=O)C1=CC=CC(N)=C1
DB04374	CCCCCC(CCCCC)SC1=C(N=NN1)C(O)=O
DB04376	[H][C@]12[C@]3([H])C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@]4([H])[C@@]3(O)[C@]([H])(C)[C@@]([H])(O)[C@@]1(OC(C)=O)C2(C)C
DB04377	CC(O)(CC(O)=O)CC(O)=O
DB04378	CC(C)C[C@@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)COC1=C(C)C=CC=C1C)NC(=O)C1=CC=C(N)C=C1
DB04379	[H][C@@](C)(N(C)C=O)C1=CC=CC=C1
DB04380	NC(=O)NC(NC(N)=O)C([O-])=O
DB04381	C\C=C\C=O
DB04382	[H][C@@]1(O)C[C@@]([H])(O)[C@@]([H])(O)[C@@]([H])(CO)O1
DB04385	[H][C@]1(CO)O[C@@]([H])(N2C=CC(N)=CC2=O)[C@]([H])(O)[C@]1([H])O
DB04386	C[C@]1(OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O1)C(O)=O
DB04387	N[C@H](CO)CC1CCCCC1
DB04388	N[C@@H](CCC=O)C(O)=O
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DB04585	N[C@@H](CC\C=C\[B-](O)(O)O)C(O)=O
DB04586	OC1=CC=CC=C1Br
DB04588	NS(=O)(=O)C1=CC=C(CNC(=O)C2=C(NN=C2)C2=CC(Cl)=C(O)C=C2O)C=C1
DB04590	CCOC1=CC([C@@H](NC2=CC=C(C=C2)C(N)=N)C(O)=O)=C(F)C(O[C@@H]2CCOC2)=C1
DB04591	[H][C@@]1(CCCCN1)C(F)(F)CNC1=NC=CC2=C1N=C(CC1=CC=CC=C1N1C=NC=N1)O2
DB04592	OCCC(Br)=C
DB04593	CC[C@@H](C)[C@@H](NS(=O)(=O)CC1=CC(=CC=C1)C(O)=O)C(=O)N[C@@H](CCC(N)=N)C(=O)NCC1=CC=C(C=C1)C(N)=N
DB04594	OC(CC(O)=O)CC(O)=O
DB04596	[H][C@@]12CO[C@@](C)(O[C@@]1([H])[C@H](O)[C@H](O)[C@H](O[C@H]1[C@H](O)[C@@H](O)C(O)O[C@@H]1C(O)=O)O2)C(O)=O
DB04597	C[C@@]1(OC[C@H]2O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2O1)C(O)=O
DB04598	NC1=C(C=CC(Cl)=C1O)C(O)=O
DB04599	COC1=CC=C(C=C1)C(=O)N1CCCC1=O
DB04600	NS(=O)(=O)OC1=CC=C(CN(N2C=NN=C2)C2=CC=C(C=C2)C#N)C=C1Br
DB04601	NS(=O)(=O)OC1=CC=C(CN(N2C=NN=C2)C2=CC=C(C=C2)C#N)C=C1
DB04602	CN(C)C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](N)[C@H]1O
DB04604	[H][C@]1(CO)O[C@@]([H])(N2C=C(I)C3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O
DB04605	NC1=CC=CC2=C1C=CN=C2
DB04606	CCCOC1=CC2=C(NC=C2C[C@@H](NS(=O)(=O)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC2=CC=C(C=C2)C(N)=N)C=C1
DB04607	NS(=O)(=O)C1=CC=C(NC2=CN3C=C(C=CC3=N2)C(=O)C2=C(Cl)C=CC=C2Cl)C=C1
DB04608	OC1=CC2=C(NC3=CC(=C4C(=O)NC(=O)C4=C23)C2=CC=CC=C2)C=C1
DB04609	O[C@@H]1[C@@H](O)[C@@H](CC2=CC=CC=C2)N(CC2=CC(=CC=C2)C(=O)NC2=NC=CS2)C(=O)N(CC2CC2)[C@@H]1CC1=CC=CC=C1
DB04610	C[C@@]1(CCC2=CC=CC=C2)NC2=C(N=C1CO)C(=O)NC(N)=N2
DB04612	CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C12)OC1=CC=CC=C1)C(C)(C)C
DB04614	O=C1NC2=C(C=C1)[C@@H](CCC2)NCCCCCCCCCCNC1=C2CCCCC2=NC2=CC=CC=C12
DB04615	O=C1NC2=C(C=C1)[C@H](CCC2)NCCCCCCCCCCNC1=C2CCCCC2=NC2=CC=CC=C12
DB04616	C(CCCCNC1=C2CCCCC2=NC2=CC=CC=C12)CCCNC1=CC=NC2=CC=CC=C12
DB04617	[NH3+]CCCCCCCCNC1=C2CCCCC2=[NH+]C2=CC=CC=C12
DB04618	C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
DB04619	CC(=O)C1=CC=CC=C1
DB04620	NC1(CCCC1)C(O)=O
DB04622	CC(=O)NCCC1=CN=CN1
DB04623	CCOCCOC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)C[C@]1(CC2=CC=CC=C2)NC=C([C@@H]2[C@@H]3OC(=O)N[C@@H]3C3=CC=CC=C23)C1=O
DB04624	[H][C@](O)(CC)C[C@@]([H])(O)C1=C(O)C2=C(C=C1CC(=O)OC)C(=O)C1=CC=CC(O)=C1C2=O
DB04626	CN[C@H]1[C@@H](O)[C@H]2O[C@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)[C@H](N)C[C@@H]2O[C@@H]1O[C@H]1O[C@H](CO)[C@@H](N)[C@H](O)[C@H]1O
DB04627	OC[C@H]1O[C@@H]2[C@@H](OC3=NC(=O)C=CN23)[C@@H]1O
DB04628	CN(C)C1=N[C@@H]2[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H]3NC(C)=O)[C@@H](CO)[C@@H]2O1
DB04629	COC[C@H](N(C)C)C(=O)O[C@@H]1C\C=C\C=C\C(=O)O[C@@H](C\C=C\[C@H](OC)C[C@H](C)C\C=C(C)\[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)[C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](OC(=O)[C@H](C)N(C)C)[C@H](C)[C@H](OC(C)=O)[C@H](C)\C=C\N(C)C=O
DB04630	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C=O)C(=O)CO
DB04631	[H][C@](C)(C[C@]([H])(C)[C@@]([H])(Cl)CCl)C(=O)C1=C(O)C(OC)=C(NC1=O)OC
DB04632	OC1=C(CNC2CCN(CC2)S(=O)(=O)NC2=CC(OC3=CC=C(F)C=C3)=CC=C2)C=CC=C1
DB04633	CCCNCCCNCCCNCC
DB04634	[H][C@@](C)(NC(=O)OCC1=CC=CC=C1)C(O)=O
DB04636	CC(C)(C)OC(=O)[C@@H](N)CCC(N)=O
DB04637	OCCCCCCBr
DB04638	CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C
DB04639	[H][C@](N)(CC1=CC=C(C=C1)C1=CC=CC=C1)C(O)=O
DB04640	OS(=O)(=O)C1=CC2=CC=C(C=C2C=C1)S(O)(=O)=O
DB04641	OC(=O)C1=C(O)C=C2C=CC(O)=CC2=C1
DB04642	OC(=O)CCCCCCOC1=C(Cl)C=C(NC(=O)NC(=O)C2=CC=CC=C2Cl)C=C1Cl
DB04643	OC(=O)CCCOC1=CC=C(NC(=O)NC(=O)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1
DB04644	CC1=C(C)C(OCCCC(O)=O)=CC=C1NC(=O)NC(=O)C1=CC=C(Cl)C=C1Cl
DB04645	CC1=C(NC(=O)NC(=O)C2=CC=C(Cl)C=C2Cl)C=CC=C1OCCCCC(O)=O
DB04646	CC(C)C1=C(Br)C(=O)C(C)=C(Br)C1=O
DB04647	C[C@@H](NC(=O)[C@H](CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(O)=O)B(O)O
DB04648	NCCCSC[C@H](N)CO
DB04649	CN(CC[C@H](N)CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(O)=O)N1C=C[C@@](N)(O)NC1=O)C(N)=N
DB04650	[H][C@]12CS[C@]([H])(CCCCC(O)=O)[C@@]1([H])NC(=O)N2
DB04651	NC1=C2N=CN([C@@H]3O[C@H](CO[P@@](O)(=O)OCCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)[C@@H](O)[C@H]3O)C2=NC=N1
DB04652	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@]([H])(O)C[C@]12C)C(=O)CO
DB04653	[H]N([C@@H](CC(C)C)C(=O)N([H])[C@@H](CC(C)C)C(=O)N([H])[C@@H](CC1=CC=C(O)C=C1)C(=O)CF)C(=O)OCC1=CC=CC=C1
DB04654	O=CCCCC1CCNCC1
DB04655	CC1=C(C(N)=NC(N)=N1)C1=CC(Cl)=C(Cl)C=C1
DB04656	[H][C@@]1(O)C[C@@](O)(C[C@]([H])(CCCOC2=CC=CC=C2)[C@@]1([H])O)C(O)=O
DB04657	CC1=C(SCCO1)C(=O)NC1=CC=CC=C1
DB04658	O[C@H]1[C@H]2CC[C@](O)(N2)[C@@H](O)[C@@H]1O
DB04659	OC[C@H]1C[C@@H](S\C(=N/OS(O)(=O)=O)CC2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O
DB04660	[H][C@@](O)(CO)COP([O-])(=O)OCC[N+](C)(C)C
DB04661	CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(O)(=O)=O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC
DB04662	[H][C@@](CC)(CO)NC1=NC2=C(N=CN2C(C)C)C(NCC2=CC=CC=C2O)=N1
DB04664	OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCCCCCC3CCCCC3)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
DB04665	O=C1OC2=CC=CC=C2C=C1
DB04669	BrC1=CC=CC(=C1)C1=NC2=[N+](NC=N2)C(NCC2=CC=NC=C2)=C1
DB04671	N[C@@H](CS\C(N)=N\CCC[C@H]([NH3+])C(O)=O)C(O)=O
DB04672	[H][C@]1(COP(O)(O)=O)O[C@]([H])(C=C1)N1C=C(C)C(=O)NC1=O
DB04673	[H][C@@]1(CC(C)C)CN(CCN1C(=O)C1=NC=C(C=N1)C1=CC=NC=C1)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2N1
DB04674	OC(=O)C1=C(O)C(I)=CC(I)=C1
DB04676	CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCC[C@H](N)C(O)=O
DB04677	[H][C@@](C)(CC1=CC=CC=C1)N(C)CC=C
DB04678	C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@H](O)[C@@H]1O
DB04679	C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O
DB04680	[H][C@]1(O)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCCCCC(=O)OC)[C@]1([H])O
DB04681	CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
DB04682	CC(C)(C)CC(C)(C)C1=CC=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C=C1
DB04683	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OC[C@H](O)CO)OC(=O)CCCCCCC\C=C/CCCCCC
DB04685	[H][C@]1(F)C[C@@]([H])(O[C@]1([H])COC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)N1C=CC(=O)NC1=O
DB04687	COP(O)(=S)OC
DB04688	[H][C@@]12CC[C@@]([H])(N1C)[C@@]([H])(C(=O)OC)[C@@]([H])(O)C2
DB04689	CCCC1=C(OCCCOC2=CC3=C(C=C2)N(CC(O)=O)C=C3)C=CC2=C1C=CC(=C2)C(=O)C1=CC=CC=C1
DB04690	CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=CC4=CC=CC=C4N=C13)C2=O
DB04693	C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@H]34)[C@@H]1CCC2=O
DB04695	[H]\C(CC\C(C)=C(/[H])CSP(O)(=O)OP(O)(O)=O)=C(\C)CCC=C(C)C
DB04696	OC1=C(Br)C=C(C=C1)C1(OC(=O)C2=C3C(C=CC=C13)=C(Cl)C=C2)C1=CC(Br)=C(O)C=C1
DB04697	NC(N)=NCCCC[C@H](NC(=O)[C@@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H]1CCN1C(=O)[C@@H](CC1CCCCC1)NC(=O)[C@@H]1CC[C@H](CN=C(N)N)CC1)C(N)=O
DB04698	[H]N(C1=NN([H])N=N1)S(=O)(=O)C1=CC2=C(OC3=CC=CC=C3C2=O)C=C1
DB04699	O=C1CCCO1
DB04700	N[C@@H](CCC(=O)N[C@@H](C[S@](O)=O)C(=O)NCC(O)=O)C(O)=O
DB04701	CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
DB04702	[H]\C(CSP(O)(=O)OP(O)(O)=O)=C(\C)CCC=C(C)C
DB04703	COC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O1)C=C(O[C@@H]1O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)C=C2O
DB04707	O=C1NC=CC2=C(C=CC=C12)S(=O)(=O)N1CCCNCC1
DB04709	[H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@]1([H])CC[C@@]2([H])CC1)C1=CC=C(C2=CC=CC=C12)[N+]([O-])=O
DB04711	OC(=O)C1=C(I)C(NC(=O)CCCCC(=O)NC2=C(I)C=C(I)C(C(O)=O)=C2I)=C(I)C=C1I
DB04713	[H][C@@](N)(CC1=CC=C(I)C=C1)C(O)=O
DB04714	CC(=C)CCO[P@](O)(=O)OP(O)(O)=O
DB04715	CC(=O)C1=CC=CC(=C1)C1=CN=C2C=CC(NCC3CC3)=NN12
DB04716	CC(C)(C)C1=NC2=C3C=CC(F)=CC3=C3C(=O)NC=CC3=C2N1
DB04719	CN(C)C1=NC2=C(Br)C(Br)=C(Br)C(Br)=C2N1
DB04720	CSC1=NC2=C(N1)C(Br)=C(Br)C(Br)=C2Br
DB04721	CN1CCN2C1=NC1=C(Br)C(Br)=C(Br)C(Br)=C21
DB04722	C[C@@H](NC(=O)CC1=C(Cl)C=C\C(=N/CC(F)(F)C2=CC=CC=[N+]2[O-])N1O)C1=CC(Cl)=CC=C1
DB04723	NC(N)=NC1=CC=CC(=C1)[C@@H](CS)C(O)=O
DB04724	CNC(=O)[C@H](CC1=CC2=CC=CC=C2C=C1)N1CCC(=O)N(CC2=CC3=CC=CC=C3N=C2)[C@@H](CC(C)C)C1=O
DB04725	CC1(C)CN2C(CC(O)=O)=C(C(=C2C1)C1=CC=CC=C1)C1=CC=C(Cl)C=C1
DB04727	COC1=CC=C(C=C1)C1=C(C2=C(N)N=CN=C2O1)C1=CC=C(NC(=O)NC2=C(F)C=CC(=C2)C(F)(F)F)C=C1
DB04729	CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3O[C@H](CN)CC[C@H]3N)[C@@H]2O)OC[C@]1(C)O
DB04731	CC(=O)OC[C@H](O)CO[P@](O)(=O)OCC[NH3+]
DB04732	[H][C@@](CC(C)C)(NC(=O)[C@@]([H])(CC1=C2C=CC=CC2=CC=C1)NC(=O)N1CCOCC1)B(O)O
DB04733	O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O
DB04734	C\C(=C\C(O)=O)C(O)=O
DB04735	CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O)COC(=O)CCCCCCCCCCCC
DB04736	C[C@@H](NC(=O)[C@H](CCC[C@@H](N)C(O)=O)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]1[C@@H](NC(C)=O)[C@@H]2OC[C@@H](O2)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)C(O)=O)C(O)=O
DB04738	[H]N1[C@H](CCC(=O)N(C)\C(=C/C)C(=O)N([H])[C@H]([C@H](C)C(=O)N([H])[C@@H](C(C)C)C(=O)N([H])[C@@H](\C=C\C(\C)=C\[C@H](C)[C@H](CC2=CC=CC=C2)OC)[C@H](C)C1=O)C(O)=O)C(O)=O
DB04739	CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C2)CC1
DB04740	CO[C@](NC(=O)[C@H](C(O)=O)C1=CC=C(O)C=C1)([C@H]1OCC(=C)C(=N1)C(O)=O)C(O)=O
DB04741	CO[C@@H](\C=C\C1=CSC(=N1)C1=CSC(=N1)[C@@H](C)\C=C\C=C\C(C)C)[C@@H](C)C(\OC)=C/C(N)=O
DB04742	[H][C@@](NC(=O)CC1=CC=CS1)(C=O)[C@@]1([H])SCCC(=N1)C(O)=O
DB04743	CS(=O)(=O)NC1=C(OC2=CC=CC=C2)C=C(C=C1)[N+]([O-])=O
DB04744	OC1=CC(=O)C2=CC=CC=C2C1=O
DB04745	O=C1NC2=CC=CC=C2C=C1
DB04746	CCCCC\C=C/C=C/CCCCCCCCC(O)=O
DB04747	CC\C=C/C=C/C=C/CCCCCCCCCC(O)=O
DB04749	[S-]CCC(=O)SCCC=O
DB04751	[H][C@@](CO)(NC1=NC(NC2=CC=CC(Cl)=C2)=C2N=CN(C(C)C)C2=N1)C(C)C
DB04752	[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)OCCO
DB04753	OC[C@H]1O[C@H]([C@@H]2O[C@H](CP(O)(O)=O)O[C@H]12)C1=CNC2=C1NC=NC2=O
DB04754	NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](CO)[C@H]2O[C@@H](CP(O)(O)=O)O[C@@H]12
DB04756	OOOC1=C(Cl)C=C(NC2=CC=CC=C2C(O)=O)C=C1Cl
DB04757	NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](CO)[C@H]2O[C@@H](O[C@@H]12)P(O)(O)=O
DB04758	CCS(=O)(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC1=CC=C(C=C1)C(N)=N
DB04759	CC1=CC(CNC(=O)C2=CC(=NC=N2)C(=O)NCC2=CC=CC(C)=C2)=CC=C1
DB04760	CC1=C(F)C=CC(CNC(=O)C2=CC(=NC=N2)C(=O)NCC2=CC(C)=C(F)C=C2)=C1
DB04761	O=C(NCC1=CC=CN=C1)C1=CC(=NC=N1)C(=O)NCC1=CN=CC=C1
DB04762	CC1=NC=C(COP(O)(O)=O)C(CN[C@H](CCC(O)=O)C(O)=O)=C1O
DB04763	CC1=CC(C)=[N+](CCC2=CC=C(C=C2)S(N)(=O)=O)C(C)=C1
DB04764	NCC1=CC=CC(=C1)C1CCN(CC1)C(=O)C1=CC(CCC2=CC=CC=C2)=CN=C1
DB04765	CC1=NC=C(COP(O)(O)=O)C(CN[C@@](C)(CCC(O)=O)C(O)=O)=C1O
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DB05087	[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@](C)(O)CC[C@]12C
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DB05095	COC1=C(F)C=C(C=C1)C1=C(Cl)N=CN1C1=CC=C(C=C1)S(N)(=O)=O
DB05096	CSCC[C@@H](C(=O)N[C@]1(CS(=O)(=O)[C@@H]2[C@H]1[C@H]2C(=O)O)C(=O)O)N
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DB05137	CN1[C@H](C[C@H](O)C2=CC=CC=C2)CCC[C@@H]1CC(=O)C1=CC=CC=C1
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DB05142	CN1C(=O)CN=C(C2=C1C=C(C(=C2)C3=CC=CC=C3)OC)C4=CC(=CC=C4)C(=O)N
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DB05149	C1=CC=C(C(=C1)NC(=O)NC2=NC=CN=C2)OCCCN
DB05152	CC[C@@H]1SC2(CCN(C)CC2)NC1=O
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DB05155	CCCC[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CC1=CC=CC=C1)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC1=CC=NC=C1
DB05159	COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)C(=O)O
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DB05166	CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC3=C2C=NN3C4=C(C=C(C=C4)S(=O)(=O)C)F
DB05168	[H][C@@]12N3CC[C@@]11C4=CC(=C(OC)C=C4N(C)[C@@]1([H])[C@](O)([C@H](O)[C@]2(CC)C=CC3)C(=O)NNC(=O)OCCSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CNC3=NC(N)=NC(=O)C3=N2)C=C1)C(O)=O)C(O)=O)[C@]1(C[C@@]2([H])C[N@](C[C@](O)(CC)C2)CCC2=C1NC1=CC=CC=C21)C(=O)OC
DB05169	C1CC1NC(=O)NC2=C(NN=C2)C3=NC4=C(N3)C=C(C=C4)CN5CCOCC5
DB05171	[H]\C(C1=CC(OC)=C(C=C1)N1C=NC(C)=C1)=C1\CCCN(C1=O)[C@@]([H])(C)C1=CC=C(F)C=C1
DB05177	C1C[C@H](N(C1)CCCC(=O)O)COC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl.Cl
DB05183	C[C@@H]1CN(C[C@@H](O1)C)C(=O)CN2CC(OC[C@H]2C(=O)NC3=CC(=CC4=C3NC5=C4C=CN=C5)Cl)(C)C.CS(=O)(=O)O
DB05184	CC(C)C1=NOC(=C1)CNC2=NC(=CC(=N2)N3CCN(CC3)C)NC4=NNC(=C4)C5CC5
DB05187	CSC1=CC=C(C=C1)C(=O)\C=C\C1=CC(C)=C(OC(C)(C)C(O)=O)C(C)=C1
DB05188	CC1=CC=C(C=C1)S(O)(=O)=O.[H]C1(CC2=C(C1)C(=CC=C2)S(=O)(=O)N1[C@@]([H])(C)CN(C[C@@]1([H])C)C1=CC=C(OC(F)(F)F)C=C1)C(O)=O
DB05190	CC1=C(C=C(C=C1)Cl)N2C(=O)C3=CC=CC=C3C2(C4=CC5=C(C=C4)N=C(N5)NC(=O)OC)O
DB05191	CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)C#CCC4CCC(CC4)C(=O)OC)N)O)O
DB05192	CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)C(C)C)C)OC[P@@]3(=O)OCC[C@H](O3)C4=CC(=CC=C4)Cl
DB05197	CC(C)=CCOC1=CC=C(\C=C\C(=O)C2=C(OCC(O)=O)C=C(OCC=C(C)C)C=C2)C=C1
DB05198	CC1=C(SC(=N1)N)C2=NC(=NC=C2)NC3=CC=C(C=C3)N4CCOCC4
DB05199	COC1=CC=CC(=C1)C2=CC=C(C=C2)[C@H](C(F)(F)F)OC3=NC(=NC(=C3)C4=CC=C(C=C4)C[C@@H](C(=O)O)N)N
DB05200	C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O.Cl
DB05204	CC1=C(C=C(C=C1N2CCN(CC2)C3=NC=NC4=NNC(=C43)Br)C(=O)CCC(F)(F)F)NCCN5CCCC5
DB05205	C1=CC2=C(C=C1OCC(F)(F)F)OC3=C(S2(=O)=O)C=CC(=C3)F
DB05207	C1=CC=C(C=C1)[P@@]2(=O)C3=CC=CC=C3C4=C2N=CC=C4
DB05210	C1COCC[N+]1(COC(=O)CCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)[O-])C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4
DB05212	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]2(O)C#C)[C@@H](O)C=C1C[C@@H](O)CC[C@]31C
DB05214	CN(CCCNCC1=CC2=C(C=C1)OCO2)C3=NC(=NS3)N4C=CN=C4
DB05217	COCCOCCOCCOCCOC(=O)OC[N+]1=CC=C(C=C1)NC(=NCCCCCCOC2=CC=C(C=C2)Cl)NC#N.[Cl-]
DB05219	OB1OCC2=C1C=CC(OC1=CC=C(C=C1)C#N)=C2
DB05220	COC1=CC(NC2=NC=C3CN=C(C4=C(C=CC(Cl)=C4)C3=N2)C2=C(F)C=CC=C2OC)=CC=C1C(O)=O
DB05223	CCCCC1=NC2=CC(\C=C\C(=O)NO)=CC=C2N1CCN(CC)CC
DB05224	CC1=C(SC(=C1Br)C(=C)F)CNCCCNC2=CC(=O)C3=CC=CC=C3N2
DB05225	CC(C)(C)SC1=C(C(C2=C1C=C(C=C2)OCC3=CC=CC=N3)CC4=CC=C(C=C4)C5=CN=C(C=C5)OC)CC(C)(C)C(=O)[O-].[Na+]
DB05226	C1CN([C@@]2(N1C(=O)C3=C2C=NC=C3)C4=CC=C(C=C4)Cl)C(=O)C5=CN=CC=C5
DB05227	CN1C(=CC=N1)C2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)OC)OCCN4CCOCC4
DB05228	C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NN=C4Br)SCC(=O)NC5=C(C=C(C=C5)C(=O)O)Cl
DB05229	[Na+].[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C1=CC=CC(CCCC([O-])=O)=C1O2
DB05232	[H][C@]12OC3([O-])OC(C4C(O)[NH+]=C(N)NC4(C1O)[C@@H]3O)C2(O)CO
DB05234	C[C@@H]1CC[C@H]([C@@H](O)C(F)(F)F)N1C1=CC2=C(NC(=O)C=C2C(F)(F)F)C=C1
DB05235	C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@@H](C(=O)[O-])N)I)I)O.[Na+]
DB05239	OC1(CN(C1)C(=O)C1=C(NC2=C(F)C=C(I)C=C2)C(F)=C(F)C=C1)[C@@H]1CCCCN1
DB05241	CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC
DB05243	C1C[C@H](NC1)C(=O)NC2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCOCC5
DB05245	[Ag+].NC1=CC=C(C=C1)S(=O)(=O)[N-]C1=NC=CC=N1
DB05246	CN1C(=O)CC(C)(C1=O)C1=CC=CC=C1
DB05252	CCOC(=O)C(C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1
DB05253	[H][C@@]12CC[C@](OC(C)=O)(C(=O)COC)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H]
DB05255	CC(C)(CC1CC2=C(C1)C=CC=C2)NC[C@@H](O)COC1=CC(CCC(O)=O)=CC(F)=C1F
DB05260	[Ga+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O
DB05262	O=C1NC(=O)C2=CNNC2=N1
DB05265	[H][C@@]12CCC3=CC(C(C)C)=C(C=C3[C@@]1(C)CCC[C@@]2(C)C(O)=O)S(O)(=O)=O
DB05266	CC(C)C(=O)C1=C2C=CC=CN2N=C1C(C)C
DB05271	CCCN(CCC1=CC=CS1)[C@H]1CCC2=C(O)C=CC=C2C1
DB05273	[153Sm+3].OP(O)(=O)CN(CCN(CP(O)([O-])=O)CP(O)([O-])=O)CP(O)([O-])=O
DB05282	COC(=O)NC1=CC(=C(C=C1)Cl)Cl
DB05284	COC1=CC(=CC(OC)=C1OC)[C@@H](O)CC1=CC(O)=C(OC)C=C1
DB05288	[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)CC=C1[C@@]2([H])CCC2=CC(=O)CC[C@]12C
DB05289	C[C@@H](C(O)=O)C1=CC(F)=C(C=C1)C1=CC=CC=C1
DB05290	CC1=CN=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=CC=NC=C3)OC)OC4=CC=CC=C4OC
DB05294	COC1=C(OCC2CCN(C)CC2)C=C2N=CN=C(NC3=C(F)C=C(Br)C=C3)C2=C1
DB05295	[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@@H](OCCCO)[C@H](O)C1=C)[C@H](C)CCCC(C)(C)O
DB05296	[Lu+3].CC([O-])=O.CC([O-])=O.CCC1=C2[N-]C(\C=C3/N=C(/C=N/C4=CC(OCCOCCOCCOC)=C(OCCOCCOCCOC)C=C4\N=C\C4=N\C(=C/2)\C(CCCO)=C4C)C(C)=C3CCCO)=C1CC
DB05297	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@@]3([H])[C@@](C)([C@@H](O)C[C@@]4([H])OC[C@@]34OC(=O)C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)[C@@H](NC(=O)C1=CC=CC=C1)C1=CC=CC=C1
DB05298	CCOC1=C(OCC)C=C(C=C1)C1=NC(=CS1)C1=NC(=CC=C1)C(O)=O
DB05308	C1[C@@H]2CN(CN2C3=C(N1)N=C(NC3=O)N)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)O)C(=O)O
DB05309	C[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](C(C)C)C(=O)N)N.CC(=O)O.CC(=O)O
DB05316	CC(C)COC1=CC=C(CNC(=O)N(CC2=CC=C(F)C=C2)C2CCN(C)CC2)C=C1
DB05317	CC(=O)OCC(C)(C)CN1C2=C(C=C(C=C2)Cl)[C@H](O[C@@H](C1=O)CC(=O)N3CCC(CC3)CC(=O)O)C4=C(C(=CC=C4)OC)OC
DB05327	FC1=C(CN2C(=O)C3=CC=CN3[C@@]3(CC(=O)NC3=O)C2=O)C=CC(Br)=C1
DB05339	Cl.C(CNC[C@H]1COC2=CC=CC=C2O1)COC1=CC2=C(OCO2)C=C1
DB05343	CCCCCC[C@@H](CCC)C(O)=O
DB05351	CC1=C(OCC(F)(F)F)C=CN=C1C[S@@](=O)C1=NC2=CC=CC=C2N1
DB05352	CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C1=CC2=C(C=C1C(=O)O)OC(=N2)C3=CC(=CC(=C3)Cl)Cl
DB05364	C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O.C(C(CO)(CO)N)O
DB05367	CCCNS(=O)(=O)NC1=C(C(=NC=N1)OCCOC2=NC=C(C=N2)Br)C3=CC=C(C=C3)Br
DB05369	CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N
DB05372	CCNC1(CCN(CC1)C1=C2N=C(N(C2=NC=N1)C1=CC=C(Cl)C=C1)C1=CC=CC=C1Cl)C(N)=O
DB05381	NCCC1=CNC=N1
DB05382	II
DB05383	NNC(N)=N
DB05384	CCC(C)C(=O)O
DB05389	O.O=O.[O-][Cl]=O.[O-][Cl]=O.[O-][Cl]=O.[O-][Cl]=O
DB05390	C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
DB05391	CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=C1CCCCCCC(=O)OCCCC)OC(=O)CCC)O)O
DB05394	CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]4CCCN4C(=O)[C@@H]5CCCN5C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)N
DB05395	CCOC(=O)COC1=CC=C2CC[C@@H](CC2=C1)NC[C@H](O)C1=CC=CC(Cl)=C1
DB05398	CCCCCCCCCCCC[N+](C)(C)[O-].CCCCCCCCCCCC[N+](C)(C)CC([O-])=O
DB05399	CC(C)(C)C1=CC(SC(C)(C)SC2=CC(=C(OC(=O)CCC(O)=O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C
DB05403	[H][C@@]12C[C@H](C(=O)OOC)[C@](C)(O1)N1C3=C(C=C(CSCC)C=C3)C3=C4CNC(=O)C4=C4C5=C(C=CC(CSCC)=C5)N2C4=C13
DB05404	C([C@H](COP=O)F)N
DB05407	CC1=CC(=C(C(=C1)C(=O)C)NC(=O)C2=C(C=CS2)S(=O)(=O)NC3=C(C(=NO3)C)C)C
DB05408	C[C@H](NC(=O)C(=O)NC1=CC=CC=C1C(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)COC1=C(F)C(F)=CC(F)=C1F
DB05410	CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)COC(=O)C1=CC=CC(CON(=O)=O)=C1
DB05412	[H][C@]1(C)CN(C(=O)C2=C(Cl)C=C3N(C)C=C(C(=O)C(=O)N(C)C)C3=C2)[C@]([H])(C)CN1CC1=CC=C(F)C=C1
DB05413	CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(C)=O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O
DB05414	CC1=C(N(CC2=CC=C(OCCN3CCCCC3)C=C2)C2=C1C=C(O)C=C2)C1=CC=C(O)C=C1
DB05416	CC1=C(CSC2=CC(C)=C(OCC(O)=O)C=C2)SC(=N1)C1=CC=C(C=C1)C(F)(F)F
DB05418	CC1=C(C=CC(=C1)F)[C@H]2CNCCN2C(=O)N(C)[C@H](C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F.CS(=O)(=O)O
DB05420	[Ga+3].CC1=C([O-])C(=O)C=CO1.CC1=C([O-])C(=O)C=CO1.CC1=C([O-])C(=O)C=CO1
DB05421	COC1=CC=C(OC(F)(F)F)C=C1CN[C@H]1CCCN[C@H]1C1=CC=CC=C1
DB05422	COC1=CC=CC2=C1CCC(=O)N2CCCN1CCN(CC1)C1=CC=CC(Cl)=C1
DB05423	CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)C1=CC=C2OCOC2=C1
DB05424	FC1=C(Cl)C=C(NC2=NC=NC3=CC(OCCCN4CCOCC4)=C(NC(=O)C=C)C=C23)C=C1
DB05428	[Gd+3].CC([O-])=O.CC([O-])=O.CCC1=C(CC)/C2=C/C3=N/C(=C\N=C4/C=C(OCCOCCOCCOC)C(OCCOCCOCCOC)=C/C/4=N\C=C4/N=C(/C=C\1\[N-]\2)C(CCCO)=C4C)/C(C)=C3CCCO
DB05431	NC(=O)N(O)CCC#C[C@@H]1CC[C@@H](COC2=CC=C(F)C=C2)O1
DB05434	CCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CN(C)C(C)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC
DB05442	[H][C@@]12CC[C@](OC(=O)C(Cl)Cl)(C(=O)OCC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
DB05446	NC(CCC(=O)NC(CSCO)C(=O)NCC(O)=O)C(O)=O
DB05448	CCC(C)SSC1=NC=CN1
DB05455	CCOC1=CC2=C(C=C1)N(C(=O)C23CCC(CC3)OCCN4CCOCC4)S(=O)(=O)C5=C(C=C(C=C5)C(=O)NC(C)(C)C)OC.C(=CC(=O)O)C(=O)O
DB05457	CC1=NC2=C(C3=C(C=CC(=C3)CNC4=CC5=C(C=C4)C(=O)N(C5)[C@@H](CCC(=O)O)C(=O)O)C=C2)C(=O)N1
DB05458	CC1=C(OC[C@@H]2CCCN2)C=CC=N1
DB05460	CCOC(=O)[C@@H](N)CCC(=O)N[C@@H](CSCC1=CC=CC=C1)C(=O)N[C@@H](C(=O)OCC)C1=CC=CC=C1
DB05461	O.Cl.CCC(=O)NC1=C(C)C=C(C=C1C)C(=O)N1CCC(CC1)N(C)CCC1=CC=CC=C1
DB05465	COC1=C(OCCCN2CCCCC2)C=C2N=CN=C(N3CCN(CC3)C(=O)NC3=CC=C(OC(C)C)C=C3)C2=C1
DB05466	C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]
DB05467	CC1(CCC(C2=C1C=C(C(=C2)/C=C/C3=CC=C(C=C3)C(=O)O)CN4C=CC=N4)(C)C)C
DB05468	CCN(CC)CCOC(=O)[C@H](CC1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2Cl)Cl)NC(=O)C3=C(C=CC=C3Cl)C.Cl
DB05469	CC1=C(C=CC(=C1NS(=O)(=O)C)Cl)OCC2=NCCN2.Cl
DB05470	NC(=O)N(C1=CC=C(C(N)=O)C(=N1)C1=CC=C(F)C=C1F)C1=C(F)C=CC=C1F
DB05475	N[C@H](CCC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O)C(O)=O
DB05476	Cl.CCOC(=O)N1CCN(CC1)C(=O)[C@H](CC1=CC=CC(=C1)C(N)=N)NS(=O)(=O)C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C
DB05478	CS(O)(=O)=O.NC1=C2N=CN(CCOC[P@@]3(=O)OCC[C@H](O3)C3=CC(Cl)=CC=C3)C2=NC=N1
DB05479	CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(CC1=CN=CN1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
DB05482	CCC1=C2C=C(O)C=CC2=NC2=C1CN1C2=CC2=C(COC(=O)[C@]2(O)CC)C1=O
DB05483	C1=CC=NC(=C1)C(=O)O
DB05487	COCCO[C@@H]1[C@H](O)[C@@H](COP(S)(=O)O[C@@H]2[C@@H](COP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]4[C@@H](COP(S)(=O)O[C@H]5C[C@@H](O[C@@H]5COP(S)(=O)O[C@H]5C[C@@H](O[C@@H]5COP(S)(=O)O[C@H]5C[C@@H](O[C@@H]5COP(S)(=O)O[C@H]5C[C@@H](O[C@@H]5COP(S)(=O)O[C@H]5C[C@@H](O[C@@H]5COP(S)(=O)O[C@H]5C[C@@H](O[C@@H]5COP(S)(=O)O[C@H]5C[C@@H](O[C@@H]5COP(S)(=O)O[C@H]5C[C@@H](O[C@@H]5COP(S)(=O)O[C@H]5C[C@@H](O[C@@H]5COP(S)(=O)O[C@H]5C[C@@H](O[C@@H]5COP(S)(=O)O[C@H]5C[C@@H](O[C@@H]5COP(S)(=O)O[C@H]5C[C@@H](O[C@@H]5COP(S)(=O)O[C@H]5C[C@@H](O[C@@H]5COP(S)(=O)O[C@@H]5[C@@H](COP(S)(=O)O[C@@H]6[C@@H](COP(S)(=O)O[C@@H]7[C@@H](COP(S)(=O)O[C@@H]8[C@@H](CO)O[C@H]([C@@H]8OCCOC)N8C=C(C)C(N)=NC8=O)O[C@H]([C@@H]7OCCOC)N7C=NC8=C7N=CN=C8N)O[C@H]([C@@H]6OCCOC)N6C=NC7=C6N=C(N)NC7=O)O[C@H]([C@@H]5OCCOC)N5C=C(C)C(N)=NC5=O)N5C=NC6=C5N=CN=C6N)N5C=NC6=C5N=C(N)NC6=O)N5C=CC(N)=NC5=O)N5C=NC6=C5N=CN=C6N)N5C=NC6=C5N=C(N)NC6=O)N5C=NC6=C5N=CN=C6N)N5C=NC6=C5N=C(N)NC6=O)N5C=C(C)C(=O)NC5=O)N5C=CC(N)=NC5=O)N5C=C(C)C(=O)NC5=O)N5C=C(C)C(=O)NC5=O)N5C=CC(N)=NC5=O)N5C=NC6=C5N=CN=C6N)O[C@H]([C@@H]4OCCOC)N4C=C(C)C(=O)NC4=O)O[C@H]([C@@H]3OCCOC)N3C=C(C)C(N)=NC3=O)O[C@H]([C@@H]2OCCOC)N2C=NC3=C2N=CN=C3N)O[C@H]1N1C=C(C)C(=O)NC1=O
DB05490	ClC1=CC=C(C(Cl)=C1)S(=O)(=O)NC1=CC(Cl)=C(OC2=CN=C3C=CC=CC3=C2)C(Cl)=C1
DB05492	CC1=CC(=C(NCCCN)C=C1)[N+]([O-])=O
DB05494	[H]\C(CCCCCCCC)=C(\[H])CCCCCCCC(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@@]([H])(O)[C@]1([H])O
DB05495	COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(CC#CCN3CCOCC3)C(=O)O
DB05501	NCCCCN(CC1=NC2=CC=CC=C2N1)[C@H]1CCCC2=C1N=CC=C2
DB05505	C1=CC(=CN=C1)CNC2=C(C(=O)NN=C2OCCCC3=CC=C(C=C3)Cl)Br.Cl
DB05507	CCO[C@H]1[C@H](CC(=O)O1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC(=C(C=C3)N)Cl
DB05511	CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(NCC3=CC(I)=CC=C3)N=CN=C12
DB05513	CCCC1(CCC)CCC2(CCN(CCCN(CC)CC)C2)CC1
DB05514	CC[C@H](C)CC(F)(F)[C@@]1(O)CC[C@H]2[C@@H](CC(=O)[C@@H]2CCCCCCC(O)=O)O1
DB05518	[H][C@@](C)(NP(=O)(N[C@@]([H])(C)C(=O)OCC)C1=CC=C(O1)C1=C(CC(C)C)SC(=N)N1)C(=O)OCC
DB05521	[H][C@@]12CCC[C@]1([H])[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=NC=CN=C1)C1CCCCC1)C(C)(C)C)C(=O)N[C@@H](CCC)C(=O)C(=O)NC1CC1
DB05524	CCOC1=CC2=C(C=C1NC(=O)\C=C\CN(C)C)C(NC1=CC(Cl)=C(F)C=C1)=C(C=N2)C#N
DB05528	[H]C1(CC([H])(OP(O)(=S)OCC2([H])OC([H])(CC2([H])OP(O)(=S)OCC2([H])OC([H])(CC2([H])OP(O)(=S)OCC2([H])OC([H])(CC2([H])OP(O)(=S)OCC2([H])OC([H])(CC2([H])OP(O)(=S)OCC2([H])OC([H])(CC2([H])OP(O)(=S)OCC2([H])OC([H])(CC2([H])OP(O)(=S)OCC2([H])OC([H])(CC2([H])OP(O)(=S)OCC2([H])OC([H])(CC2([H])OP(O)(=S)OCC2([H])OC([H])(N3C=NC4=C3NC(=N)N=C4O)C([H])(OCCOC)C2([H])OP(O)(=S)OCC2([H])OC([H])(N3C=C(C)C(=N)N=C3O)C([H])(OCCOC)C2([H])OP(O)(=S)OCC2([H])OC([H])(N3C=NC4=C(N)N=CN=C34)C([H])(OCCOC)C2([H])OP(O)(=S)OCC2([H])OC([H])(N3C=C(C)C(=N)N=C3O)C([H])(OCCOC)C2([H])OP(O)(=S)OCC2([H])OC([H])(N3C=C(C)C(=N)N=C3O)C([H])(OCCOC)C2([H])O)N2C=C(C)C(=N)N=C2O)N2C=C(C)C(O)=NC2=O)N2C=C(C)C(O)=NC2=O)N2C=C(C)C(=N)N=C2O)N2C=NC3=C2NC(=N)N=C3O)N2C=C(C)C(O)=NC2=O)N2C=C(C)C(=N)N=C2O)N2C=C(C)C(O)=NC2=O)C([H])(COP(O)(=S)OC2([H])CC([H])(OC2([H])COP(O)(=S)OC2([H])C([H])(COP(O)(=S)OC3([H])C([H])(COP(O)(=S)OC4([H])C([H])(COP(O)(=S)OC5([H])C([H])(COP(O)(=S)OC6([H])C([H])(CO)OC([H])(N7C=NC8=C7NC(=N)N=C8O)C6([H])OCCOC)OC([H])(N6C=C(C)C(=N)N=C6O)C5([H])OCCOC)OC([H])(N5C=C(C)C(=N)N=C5O)C4([H])OCCOC)OC([H])(N4C=C(C)C(O)=NC4=O)C3([H])OCCOC)OC([H])(N3C=C(C)C(=N)N=C3O)C2([H])OCCOC)N2C=NC3=C(N)N=CN=C23)O1)N1C=NC2=C1NC(=N)N=C2O
DB05532	COC1=C2C(NC=C2C(=O)C(=O)N2CCN(CC2)C(=O)C2=CC=CC=C2)=C(OC)N=C1
DB05540	N[C@@H](CN(O)N=O)C(O)=O
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DB06717	C[C@@H](O[C@H]1OCCN(CC2=NC(=O)N(N2)P(O)(O)=O)[C@H]1C1=CC=C(F)C=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
DB06718	[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC3=NNC=C3C[C@]12C
DB06721	[H]\C(=N/OC(C)(C)C)C1=C2CN3C(=CC4=C(COC(=O)[C@]4(O)CC)C3=O)C2=NC2=CC=CC=C12
DB06723	[OH-].[OH-].[OH-].[Al+3]
DB06724	[Ca++].[O-]C([O-])=O
DB06725	CN1C(C(=O)NC2=CC=CC=N2)=C(O)C2=C(C=C(Cl)S2)S1(=O)=O
DB06726	CCC1=CC=CC2=C1OC(=C2)C(O)CNC(C)(C)C
DB06727	[H][C@@]12CCCCN1C[C@@H]1C[C@H]2CN2CCCC[C@]12[H]
DB06728	NC1=CC=CC=C1
DB06729	NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=NN1C1=CC=CC=C1
DB06730	CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1C=C[C@@]2(O)C#C
DB06731	NCC[C@H](OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1
DB06732	O=C1C=C(OC2=C1C1=CC=CC=C1C=C2)C1=CC=CC=C1
DB06733	CO[C@H]1\C=C\C=C(C)\C[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O)[C@H](C)[C@H](O1)C(C)C
DB06734	CO[C@H]1\C=C/C=C(C)\C[C@H](C)[C@H](O)[C@H](C)\C=C(\C)/C=C(OC)\C(=O)OC1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](OC(=O)\C=C\C(=O)NC2=C(O)CCC2=O)[C@H](C)[C@H](O1)C(C)C
DB06735	CCN(CC)CCOC1=CC=C(C=C1)C(=C(\Cl)C1=CC=CC=C1)\C1=CC=CC=C1
DB06736	OC(=O)COC(=O)CC1=CC=CC=C1NC1=C(Cl)C=CC=C1Cl
DB06737	CC(C(O)=O)C1=CC=C2SC3=C(C=CC=C3)C(=O)CC2=C1
DB06738	CCC(=O)C1(CCN(C)CC1)C1=CC(O)=CC=C1
DB06739	CC1=C(C)C(=O)C(C(CCCCCC(O)=O)C2=CC=CC=C2)=C(C)C1=O
DB06741	OC(=O)C1=C(\C=C\C(=O)NC2=CC=CC=C2)C2=C(Cl)C=C(Cl)C=C2N1
DB06742	NC1=C(Br)C=C(Br)C=C1CN[C@H]1CC[C@H](O)CC1
DB06748	[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(CCC=C(C)C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
DB06749	[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)C(C)(CCC=C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
DB06750	CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@H](C[C@@]21C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
DB06751	CCOC1=C(OCC)C=C(\C=C2/NCCC3=CC(OCC)=C(OCC)C=C23)C=C1
DB06753	OP(O)(=O)OCC(Cl)(Cl)Cl
DB06755	C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C
DB06756	C[N+](C)(C)CC([O-])=O
DB06757	[Mn++]
DB06762	CC(N\C(NC#N)=N\C1=CC=NC=C1)C(C)(C)C
DB06763	[H]N([H])C(=NCCC[C@H](N([H])C(=O)CN([H])C)C(=O)N([H])[C@@H](C(C)C)C(=O)N([H])[C@@H](CC1=CC=C(O)C=C1)C(=O)N([H])[C@@H](C(C)C)C(=O)N([H])[C@@H](CC1=CN=CN1[H])C(=O)N1CCC[C@H]1C(=O)N([H])[C@@H](C)C(O)=O)N([H])[H]
DB06764	C1CN=C(N1)C1CCCC2=CC=CC=C12
DB06766	CN1CCC(CC1)=C1C2=NC=C(C=O)N2CCC2=CC=CC=C12
DB06767	[NH4+].[Cl-]
DB06769	CN1C(CCCC(O)=O)=NC2=CC(=CC=C12)N(CCCl)CCCl
DB06770	OCC1=CC=CC=C1
DB06771	N[C@@H]1CCCCN(C1)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1Cl)C(O)=O
DB06772	[H][C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C4=CC=CC=C4)C(C)=C([C@@H](OC)C(=O)[C@]1(C)[C@H](C[C@H]1OC[C@@]21OC(C)=O)OC)C3(C)C
DB06774	COC1=C(O)C=CC(CNC(=O)CCCC\C=C\C(C)C)=C1
DB06775	NC(=O)N[C@@H](CCC(O)=O)C(O)=O
DB06777	[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O
DB06778	[Cu++].[O-]S([O-])(=O)=O
DB06779	CC(=O)NC1C(O)OC(COS(=O)(=O)O)C(OC2OC(C(=O)O)C(OC3OC(CO)C(OC4OC(C(=O)O)C(O)C(O)C4OS(=O)(=O)O)C(OS(=O)(=O)O)C3NS(=O)(=O)O)C(O)C2OS(=O)(=O)O)C1O
DB06780	[H][C@@]12CC[C@H](C(=O)COC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
DB06781	[H][C@@]12CC[C@](OC(=O)CCC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C
DB06782	OCC(S)CS
DB06783	[Fe+3].[Fe+3].[Fe+3].[Fe+3].N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N.N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N.N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N
DB06785	CCNC(NCC)=NCCCC[C@@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CC=CN=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN=C(NCC)NCC)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
DB06786	[H][C@@]12C[C@H]3OC(C)(C)O[C@@]3(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C
DB06787	C[N+]1(C)CCN(CC(O)(C2CCCCC2)C2=CC=CC=C2)CC1
DB06788	CC(O)=O.CC(O)=O.[H][C@@](CO)(N=C(O)[C@]([H])(CC1=CNC2=CC=CC=C12)N=C(O)[C@]([H])(CC1=CN=CN1)N=C(O)[C@]1([H])CCC(O)=N1)C(O)=N[C@@]([H])(CC1=CC=C(O)C=C1)C(O)=N[C@]([H])(CC1=CN(CC2=CC=CC=C2)C=N1)C(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@@]([H])(CCCNC(N)=N)C(=O)N1CCC[C@@]1([H])C(O)=NCC
DB06789	[H][C@@]12CC[C@](OC(=O)CCCCC)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
DB06791	[H]N([H])CCCCC1N([H])C(=O)C(CC2=CN([H])C3=CC=CC=C23)N([H])C(=O)C(CC2=CC=C(O)C=C2)N([H])C(=O)C(CSSCC(N([H])C(=O)C(N([H])C1=O)C(C)C)C(=O)N([H])C(C(C)O)C(=O)N([H])[H])N([H])C(=O)C(CC1=CC2=CC=CC=C2C=C1)N([H])[H]
DB06792	[La+3].[La+3].[O-]C([O-])=O.[O-]C([O-])=O.[O-]C([O-])=O
DB06793	[H][C@](C)(CN(C)C)[C@@](CC1=CC=CC=C1)(OC(=O)CC)C1=CC=CC=C1
DB06794	OC(=O)C(=O)NC1=CC(=CC(NC(=O)C(O)=O)=C1Cl)C#N
DB06795	NCC1=CC=C(C=C1)S(N)(=O)=O
DB06796	[Mn++].CC1=C(O)C(CN(CCN(CC([O-])=O)CC2=CC(COP(O)(O)=O)=NC(C)=C2O)CC([O-])=O)=CC(COP(O)(O)=O)=N1
DB06797	CCC(C)C(C)(COC(N)=O)COC(N)=O
DB06799	C1N2CN3CN1CN(C2)C3
DB06800	C[N@+]1(CC2CC2)CC[C@]23[C@H]4OC5=C(O)C=CC(C[C@@H]1[C@]2(O)CCC4=O)=C35
DB06802	NC(=O)CC1=CC=CC(C(=O)C2=CC=CC=C2)=C1N
DB06803	OC1=C(C=C(Cl)C=C1)C(=O)NC1=C(Cl)C=C(C=C1)[N+]([O-])=O
DB06804	CCCCCCCCCC1=CC=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)C=C1
DB06807	NC1=CC(O)=C(C=C1)C(=O)OC1=CC=CC=C1
DB06809	C(N1CCCNCCNCCCNCC1)C1=CC=C(CN2CCCNCCNCCCNCC2)C=C1
DB06810	CO[C@@H]([C@@H]1CC2=CC3=CC(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](O)[C@@H](C)O4)=C(C)C(O)=C3C(O)=C2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@](C)(O)[C@H](O)[C@@H](C)O3)[C@@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1)C(=O)[C@@H](O)[C@@H](C)O
DB06811	CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
DB06812	C=CN1CCCC1=O.II
DB06813	NC1=NC2=NC=C(CC(CC#C)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N=C2C(N)=N1
DB06814	CC(CC1=CC=C2OCOC2=C1)NCC(O)C1=CC=C(O)C(O)=C1
DB06815	[O-][N+]1=C(S)C=CC=C1
DB06816	CN(C)C1=CC2=C(C=C1)[N+](C)=C(\C=C\C1=C(C)N(C(C)=C1)C1=CC=CC=C1)C=C2
DB06817	CN1C(=O)C(O)=C(N=C1C(C)(C)NC(=O)C1=NN=C(C)O1)C(=O)NCC1=CC=C(F)C=C1
DB06819	OC(=O)CCCC1=CC=CC=C1
DB06820	ClC1=CC=C(CSC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1
DB06821	COC1=CN=C(NS(=O)(=O)C2=CC=C(N)C=C2)N=C1
DB06822	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
DB06823	CC(S)C(=O)NCC(O)=O
DB06824	NCCNCCNCCN
DB06825	CC(C)C[C@H](NC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
DB06826	CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
DB06827	[H][C@@]1(C[C@H](O)NC(=N)N1)[C@]1([H])NC(=O)\C(NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CNC1=O)NC(=O)C[C@@H](N)CCCN)=C\NC(N)=O
DB06828	C(CN1C=CC=C1)OC1=CC2=C(NC=C2)C=C1
DB06829	OC(=O)COC1=C(SC(=C1Br)C1=CC=CC(NC2CCCCC2)=C1)C(O)=O
DB06830	CCCCCCC(O)(P(O)(O)=O)P(O)(O)=O
DB06831	COC1=CC=CC=C1N1C(=O)C2=C(Cl)C=CC=C2N=C1CSC1=C2N=CNC2=NC=N1
DB06832	OC1=CC2=C(OC(=N2)C2=CC=C(O)C(F)=C2)C(C=C)=C1
DB06833	CC1=CC=C(C=C1)N1C=C(CNCC2CCCCC2)C2=CC=CC=C12
DB06834	CN1C=C(C2=CC3=CC=CN=C3N2)C2=CC(=CC=C12)C(=O)NC(C)(C)CO
DB06835	[H][C@@](C[P@@](O)(=O)[C@@]([H])(NS(=O)(=O)CCC1=CC=CC=C1)C(C)C)(C(O)=O)C1=CC=CC(CN)=C1
DB06836	[H]N(CCO)S(=O)(=O)C1=C(Cl)C=CC(=C1)C1=C(C)N=C(S1)N([H])C(C)=O
DB06837	[H][C@](CC(=O)NO)(CC1=CC(O)=CC=C1)C(=O)N[C@@]1([H])C2=C(C[C@@]1([H])O)C=CC=C2
DB06838	[H][C@](N)(CC1=CC=CC=C1)C(=O)OC
DB06840	[H][C@](N)(CCCCN)B(OCC)OCC
DB06841	[H][C@@]([NH3+])(CC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(O)=N[C@@]([H])(CCCNC(N)=N)[C@]([H])(O)CCl
DB06842	[H][C@@]1(CC2=CC(OCCCC)=C(OC)C=C2)CNC(=O)N1
DB06843	[H][C@]1(C)O[C@]([H])(C[C@]1([H])OP(O)(O)=O)N1C=NC2=C1N=CN=C2N
DB06844	O=C1N=C2C=CC3=C(SC=N3)C2=C1CNC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1
DB06845	[H][C@]1(CCCN1C(=O)CNC1CCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N
DB06847	[H][C@@](C)(C#CC1=C(N)N=C(N)N=C1C)C1=CC(OC)=C(C=C1)C1=CC=CC=C1
DB06848	CSC1=C2C=CC=CC2=C(S1)C(=O)N1CCC2(COC3=C2C=C(CN)C=C3)CC1
DB06849	NCC1=CC2=C(OCC22CCN(CC2)C(=O)\C=C\C2=CC=CC=C2)C=C1
DB06850	[H][C@]1(CCCN1C(=O)CNC1CCCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N
DB06851	C(NC1=CC=CC=C1)C1=CC=CN=C1
DB06852	[H][C@@]12CC[N@@](CC1)C[C@@]2([H])NC1=C(C2=NC3=CC=CC=C3N2)C(=O)NC2=C1C=C(Cl)C=C2
DB06853	[H][C@]1(CCCN1C(=O)CNC1CCCCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N
DB06855	CC(C)COC1=C(O)C(=CC=C1)C1=NC2=CC(C(N)=N)=C(F)C=C2N1
DB06856	[H][C@]1(C)CCCC[C@]1([H])OC1=C(O)C(=CC=C1)C1=CC2=CC(C(N)=N)=C(F)C=C2N1
DB06857	CC1=CC(I)=C(O)C(=C1)C(=O)NC1=CC(Cl)=C(C=C1)C(N)=N
DB06858	[H][C@]1(CCCN1C(=O)CNC1CCCCCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N
DB06859	NC(=N)NOCCCOC1=CC(Cl)=CC(=C1)C(=O)N(CC=C)C1CCCC1
DB06860	CC1=C2C(=O)N(C(=O)C2=CC=C1)C1=CC=NC(Cl)=C1
DB06861	[H][C@](CCCCC(N)=N)(C=O)[C@@]1([H])CCC[C@]1([H])O
DB06862	OC(=O)C1=C(O)C=CC(=C1)S(=O)(=O)NCCS
DB06864	[H][C@@]1(O)C=CC=C(C(=O)CCC(O)=O)[C@@]1([H])C(O)=O
DB06865	[H][C@](CCCCC(N)=N)(C(O)=O)[C@@]1([H])C2=C(C[C@]1([H])O)C=CC(=C2)C1=CC=C(O)C=C1
DB06866	[H][C@](CCCCC(N)=N)(C(O)=O)[C@@]1([H])C2=C(C[C@]1([H])O)C=C(C=C2)C1=CC(OC)=CC=C1
DB06867	CCOCCOCCOCCOCCOCCOCC
DB06868	[H][C@]1(CCCN1C(=O)CCC(C)C)C(=O)NCC1=CC(Cl)=CC=C1
DB06869	[H][C@@](N)(C1CCCCC1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=C(OCC(=O)NCC)C=CC(Cl)=C1
DB06870	[H][C@@]12CC[C@@](O)(CC)[C@@]1(CC)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H]
DB06871	[H][C@@]12CC[C@@](C)(O)[C@@]1(C)CCC1=C2C=CC2=CC(O)=CC=C12
DB06872	OCCOCN1C=C(SC2=CC=CC=C2)C(=O)NC1=O
DB06873	OCCOCN1C=C(CC2=CC=CC(OCC3=CC=CC=C3)=C2)C(=O)NC1=O
DB06874	CC1=CC(=CC(C)=C1OC1=C(Br)C(CO)=NC(NC2=CC=C(C=C2)C#N)=N1)C#N
DB06875	OC1=CC=C2C=C(C=C(C#N)C2=C1)C1=CC=C(O)C(F)=C1
DB06876	CN1CCN(CC1)C1=CC=C(C=C1)C1=CC2=C(NC=C2NC(=O)C2=CN=CC=C2)N=C1
DB06877	CN(C)C(=O)C1=CC(=CN1)C1=NNC=C1C1=CC=CC=C1
DB06878	[H][C@@](N)(CC)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC=CC(Cl)=C1
DB06879	CCN1C2=C(F)C=CC(F)=C2C(N)=NC11CCN(CC1)C(=O)C1=CN=C(CC1)C#N
DB06880	[H][C@](N)(C1CCCC1)C(=O)N1[C@]([H])(CN)CC[C@]1([H])C#CC
DB06881	CCCC(=O)C(\O)=C\OP(O)(O)=O
DB06882	CC(C)(C)C1=NN(C(NC(=O)NC2=C3C=CC=CC3=CC=C2)=C1)C1=CC=CC(N)=C1
DB06883	CC(C)(C)C1=NN(C(NC(=O)NC2=CC=CC=C2)=C1)C1=CC=CC(N)=C1
DB06884	CC(C)C1=CC=C(CNNC(=O)C2=CC=C(O)C=C2)C=C1
DB06885	OC(=O)CCO\N=C\C1=C(C=CC=C1)C(F)(F)F
DB06886	[H][C@](C)(O)[C@]([H])(CC1=CC=CC=C1)NC(=O)[C@]1([H])CCCN1C(=O)[C@]([H])(C)NC(=O)OCC1=CC=CC=C1
DB06887	CNC(=O)[C@@H]1CC2=CC=C(NS(O)(=O)=O)C=C2CN1C(=O)OC(C)(C)C
DB06888	[H][C@]12CN(CCN3NC4=C(C=CC=C4C3=O)C3=NC4=C(NC3=O)C=CC=C4O1)[C@]([H])(C)C2
DB06889	O=C1N(CC2=NN=NN2)C=NC2=C1C1=C(CCCC1)S2
DB06890	[H][C@](CC)(C(=O)NC1=CC=NC=C1)C1=CC=CC=C1
DB06891	NC1=C(F)C=C(C=C1Cl)S(=O)(=O)NC1=NN=C(S1)S(N)(=O)=O
DB06892	[H][C@@]1(F)C(F)=CC=C(C(=O)NOCCO)\C1=N\C1=C(F)C=C(I)C=C1
DB06893	CCCCCCCCCCS(O)(=O)=O
DB06894	CCCCCCCCCCCCO
DB06896	FC1=CC=C(C=C1)N1C=CC=C(C(=O)NC2=CC=C(OC3=CC=NC4=C3C=CN4)C(F)=C2)C1=O
DB06897	[H][C@@](C)(NC1=CC2=C(ON=C2C2=CC(Cl)=CC(CCCO)=C2)C=N1)C1=CC=CC=C1
DB06898	CN1C(N)=NC2=C1C=C(C=N2)C1=CC=C(O)C=C1
DB06899	CCC1=NC(N)=NC(N)=C1C1=CC=C2SC(C)(C)C(=O)N(CCNC(C)=O)C2=C1
DB06900	NC(=N)NC1=CC=C(CO)C=C1
DB06901	[H][C@](CC=C)(C=O)[C@@]1([H])CCC[C@]1([H])O
DB06902	CC(C)(C1=CC=CC=C1)C1=CC=C(O)C=C1
DB06903	[H][C@]1(C)CC[C@]2([H])C(=C[C@@]3([H])CC(C)(C)C[C@@]123)C(O)=O
DB06904	[H][C@](C)(OC(C)=O)[C@@]([H])(C=O)[C@@]1([H])NC(=CS1)C(=O)OCC=C
DB06905	[H][C@](C)(\C=C(/C)\C=C\[C@]([H])(N)[C@]([H])(C)C(O)=O)[C@]([H])(CC1=CC=CC=C1)OC
DB06906	CCOC(=O)C1=CN=C(N)N=C1O
DB06907	OC(=O)C1=CC2=C(C=C1)N=C(O2)C1=C(Cl)C=CC=C1Cl
DB06908	[H][C@@](CC1=CC2=C(C=C1)N(CC1=C(C)OC(=N1)C1=C(Cl)C=CC=C1)C=C2)(OCC)C(O)=O
DB06909	CCN1N=CC2=C1N=CC(C(=O)NCC1=CC=CC=C1)=C2NC1CCOCC1
DB06910	[H][C@]1(CC2=CC=CC=C2)N(CC=C)C(=O)N(CC=C)[C@]([H])(CC2=CC=CC=C2)[C@]([H])(O)[C@@]1([H])O
DB06911	[H][C@@](N)(CC(C)C)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC(Cl)=CC=C1
DB06912	O=CCCCC=C(CCC=C(CCC=O)C=O)C=O
DB06913	[H]S[C@@H](N([H])C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(C#N)C(=O)N([H])[H]
DB06914	ClC1=CC=C(CCC2(CN3C=CN=C3)OCCO2)C=C1
DB06916	[H][C@@]1(CCCN1C1=NC(=NC(C)=C1)N1C=CN=C1)C(=O)NCCC1=CC2=C(OCO2)C=C1
DB06917	FC1=CC=C(C=C1)C(=O)C1=CC=NC=C1
DB06918	CC1=CC=CC=C1C1=CC2=C(N1)C=C(C=C2)C(N)=N
DB06919	[H][C@@](N)(CC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC(Cl)=CC=C1
DB06920	[H][C@@]1(CN(C(=O)NC2=CC=C(Cl)C=C2)[C@]([H])(C1)C(=O)NC1=CC=C(C=C1F)N1C=CC=CC1=O)OC
DB06921	[H][C@@](C[P@](O)(=O)[C@@]([H])(NS(=O)(=O)C1=CC=CC=C1)C(C)C)(C(O)=O)C1=CC(CN)=CC=C1
DB06922	[H][C@](CC1=CC=CC2=CC=CC=C12)(N1C(=O)C2=CC=C(C=C2C1=O)C(O)=O)C(O)=O
DB06923	CC1=CC=CC(=C1)C1=CC2=C(N1)C=CC(=C2)C(N)=N
DB06924	[H][C@@](CC1=CC=CC=C1)(C[N+]([O-])=O)C(O)=O
DB06925	CC1=CC=C(C=C1C1=CC=C2N=C(N)N=CC2=C1)C(=O)NC1=CC=CC(=C1)C(F)(F)F
DB06926	[H][C@](O)(CCCCC)\C=C\C=C/CCCCCCCC(O)=O
DB06927	OC1=CC=C(C=C1)C1=CC2=C(O1)C(CC#N)=CC(O)=C2
DB06928	[H][C@@](CCC(O)=O)(C[P@](O)(=O)CC1=CC=C(I)C=C1)C(O)=O
DB06929	[H][C@]1(CCCN1C(=O)CCC)C(=O)NCC1=CC=C(C=C1)C(N)=N
DB06930	NC(=N)NC(=O)CN1C(=CC=C1C1=CC=CC=C1)C1=CC=CC=C1
DB06931	CCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O
DB06932	COC1=CC2=NC=C3C(N)=NC4=C(C)C(N)=CC=C4C3=C2C=C1OC
DB06933	CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)C1=CN=C2C=CC=C(NC3=CC=CC=N3)C2=C1
DB06934	[H][C@@](O)(CCCl)C1=CC=CC=C1
DB06935	OC(=O)C1=CC=C(C=C1)C1=C(F)C=CC=C1F
DB06936	[H][C@]1(CCCN1C(=O)CCC(C)C)C(=O)NCC1=CC=C(C=C1)C(N)=N
DB06937	OC1=CC2=C(C=C1)C(=NO2)C1=C(O)C=C(O)C=C1
DB06938	CNC(=O)C1=NC=CC(OC2=CC3=C(C=C2)N=C(NC2=CC(=C(Cl)C=C2)C(F)(F)F)N3)=C1
DB06939	[H][C@@](N)(C(=O)N1CC[C@]([H])(F)C1)[C@@]([H])(C)[C@@]1([H])CC[C@@]([H])(CC1)N(C)C(C)=O
DB06940	CCNC(=O)C1=CN2N=CN=C(NC3=CC(=CC=C3C)C(=O)NOC)C2=C1C
DB06941	CN1CCN(CC1)C1=C(C\N=N/C(N)=S)C=CC=C1
DB06942	[H][C@]1(CCCN1C(=O)CCC1=CC=CC=C1)C(=O)NCC1=CC=C(C=C1)C(N)=N
DB06943	[H][C@]1(S)CCN(C1)S(=O)(=O)C1=CC=C(OCC#CC)C=C1
DB06944	O=C(CC1=CC2=C(C=CC=C2)C=C1)NC1=CC(=NN1)C1CC1
DB06945	ONC(=O)C1(CCOCC1)S(=O)(=O)C1=CC=C(OC2=CC=C(C=C2)C(F)(F)F)C=C1
DB06946	[H][C@@](O)(C(O)=O)[C@@]([H])(O)C1=CC=C(F)C=C1
DB06947	[H][C@@](N)(CC)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC=C(C=C1)C(N)=N
DB06948	C(OC1=C2NC=NC2=NC(NC2=CC=CC=C2)=N1)C1CCCCC1
DB06949	OC1=C(Br)C=C(\C=N\NC(=O)C2=CC=C3C=CC=CC3=C2)C(O)=C1Br
DB06950	OC1=C(Br)C=C(\C=N\NC(=O)C2=CC=C(Cl)C=C2)C(O)=C1Br
DB06951	[H][C@](CC)(C(O)=O)[C@]([H])(NS(=O)(=O)C1=CC=C(C)C=C1)C(O)=O
DB06952	OC(=O)[C@@]1(O)OC2=CC=CC=C2C=C1
DB06953	[H][C@](OCC1=NC(Cl)=C(C=C1C1=CC(Cl)=CC=C1)C#N)(C1=CN=CN1C)C1=CC=C(C=C1)C#N
DB06954	NS(=O)(=O)OC1=CC=C2C=C(CC3CCCCCC3)S(=O)(=O)C2=C1
DB06955	OC(=O)C1=C(C2=CNC3=C(Cl)C=CC=C23)C(=C(N1)C(O)=O)C1=CNC2=C(Cl)C=CC=C12
DB06956	CC(=O)C1=CC=C(NC(=O)C2=C(NN=C2)C2=CC(Cl)=C(O)C=C2O)C=C1
DB06957	CS(=O)(=O)C1=CC=C(CN2CCN(CC2)C2=C(NN=C2)C2=CC(Cl)=C(O)C=C2O)C=C1
DB06958	CCNC(=O)C1=NNC(=C1N1CCNCC1)C1=CC(Cl)=C(O)C=C1O
DB06959	[H]N([H])[C@H](COC1=CN=CC(=C1)C1=CC2=C(C=C1)C=NC=C2)CC1C=NC2=CC=CC=C12
DB06960	[H][C@@](O)(\C=C\CCCCCCCCCCCCC)[C@@]([H])(CO)NC(C)=O
DB06961	CCNC(=O)C1=NOC(=C1C1=CC=C(CN2CCOCC2)C=C1)C1=C(O)C=C(O)C(Cl)=C1
DB06962	NCC1=CC=C2OCC3(CCN(CC3)C(=O)C3=CC=C(O3)C#CC3=CC=CC=C3)C2=C1
DB06963	[H][C@@](C)(NC1=CC2=C(C=N1)C(C)=NN2C1=CC=CC(CCC(N)=O)=C1)C1=CC=CC=C1
DB06964	CCNC(=O)C1=NOC(=C1C1=CC=C(OC)C=C1)C1=C(O)C=C(O)C(Cl)=C1
DB06965	CCCCCCP(O)(=O)OC[C@H](C)CC1=CC=CC=C1
DB06966	CCCCCCP(O)(=O)OC[C@@H](C)CC1=CC=CC=C1
DB06967	CCC1=NC(N)=NC(N)=C1C1=CC2=C(C=C1)C1=CC=CC=C1N2CCCOC
DB06968	C(CCCN1C=CN=C1)CCN1C=CN=C1
DB06969	CCNC(=O)C1=CC2=C(N=C(N)N=C2S1)C1=C(Cl)C=C(Cl)C(OCCN2CCCC2)=C1
DB06970	CCN(CC)S(=O)(=O)C1=CC=C(Cl)C(=C1)C(=O)NC1=C(C#N)C2=C(CCC2)S1
DB06971	CN(CCOC1=CC=C(C=C1)C1=CC=C(C=C1)C#N)C(=O)NO
DB06972	ClC1=CC(=CC(Cl)=C1)C1=C(C#N)[C@@]2(CC3=CC=C(C=C3)C#N)CCCN2C1=O
DB06973	CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
DB06974	COC1=CC=C2N=C(NS(=O)(=O)C2=C1)C1=C(O)C(=NN(CCC(C)C)C1=O)C1=CC=CC=C1
DB06976	[H][C@]1(CCCN1)C1=CC(NC(=O)NC2=CC=CC3=C2[C@]2([H])CCCN2C3=O)=NN1
DB06977	[H][C@@](N)(COC1=CN=CC(=C1)C1=CC2=CNN=C2C=C1)CC1=C2C=CC=CC2([H])N=C1
DB06978	COC1=CC=C(C=C1)C(=O)N\N=C\C1=CC(Br)=C(O)C(Br)=C1O
DB06979	CCCCCCCCCCCCSC1=C(N=NN1)C(O)=O
DB06980	[H][C@@](CCCC)(C(O)=O)C1=CNC2=C1C=CC=C2
DB06981	[H][C@@](CCC)(C(O)=O)C1=CNC2=CC=CC=C12
DB06982	[H][C@@](CCCCCCNC(=O)OC(C)(C)C)(C(O)=O)C1=CNC2=C1C=CC=C2
DB06983	OCC1=C2N=C(C=C(NCC3=CN=CC=C3)N2N=C1)C1=CC=CC=C1
DB06984	[H][C@@]1(O)[C@]([H])(O)[C@]([H])(NCC2=CC=CC=C2)[C@@]([H])(SC)[C@]1([H])O
DB06985	OC(=O)C1=C(NC(=O)N2CCC(CC2)C2=C(C=CC=C2)C(F)(F)F)C=CC=C1
DB06986	[H][C@]1(CC2=C(C=CC=C2)[C@@]1([H])O)NC(=O)C1=CC2=C(N1)SC(Cl)=C2
DB06987	CC(C)NC[C@@H](O)COC1=CC=C(CC(N)=O)C=C1
DB06988	[H][C@](N)(CC1=CC(\N=C\CC2=CC=CC=C2)=C(O)C=C1O)C(O)=O
DB06989	COC(=O)C(CC1=CC=CC=C1)(CC1=CC=C(NS(O)(=O)=O)C=C1)C(=O)OC
DB06990	OC(=O)C1=CC=C(\C=N\OCCO\N=C\C2=CC(=O)NC(=O)N2)C=C1
DB06991	[H][C@@](C)(CC)NC1=NC=C(S1)C(=O)NC1=C(C)C=CC(=C1)C(=O)NC
DB06992	CC1=CC=C(C=C1F)C1=NC(=CC=C1)C(=O)N1CCCC(C)(C)C1
DB06993	[H][C@@](N)(C(=O)N1CC[C@]([H])(F)C1)[C@]([H])(CC1CC1)C1([H])N[C@]([H])(NO1)C1=C(F)C=C(C=C1)S(C)(=O)=O
DB06994	[H][C@@](N)(C(F)=C1CCCC1)[C@]([H])(CC1CC1)C1=NC(=NO1)C1=CC=C(C=C1Cl)S(C)(=O)=O
DB06995	NC1=NC=CC(OC2=C(F)C=C(NC(=O)NC(=O)CC3=CC=C(F)C=C3)C=C2)=C1
DB06996	[H][C@@](N)(CC(C)C)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC=C(C=C1)C(N)=N
DB06997	FC1=CC=C(CC(=O)NC(=O)NC2=CC(F)=C(OC3=CC=NC4=C3C=CN4)C=C2)C=C1
DB06998	[H][C@]1(CC2=C(Br)C(Br)=C(O)C(OCC)=C2)SC(=S)N(CC(O)=O)C1=O
DB06999	CCCS(=O)(=O)NC1=C(F)C(C(=O)C2=CNC3=NC=C(Cl)C=C23)=C(F)C=C1
DB07000	CCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=CNC3=NC=C(C=C23)C2=CN=CC=C2)=C1F
DB07001	CCC[C@H]1COC2=C(SC=C2)C(N)=N1
DB07002	COC1=CC=NC(NC2CCN(CC2)C(=O)C2=CC=C(C=C2)C#N)=C1
DB07003	[H][C@]1(C)CN=C(N)C2=C(O1)C=CS2
DB07004	CCCCC#CC1=CC=C(O1)C(=O)NNC(=S)NC
DB07005	[H][C@@](N)(CC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC=C(C=C1)C(N)=[NH2+]
DB07006	COC1=CC=CC=C1C1=CC2=C(C3=C(C=CC(O)=C3)N2CCCO)C2=C1C(=O)NC2=O
DB07007	[H][C@@]1(COC2=CC=C3CCNCC3=C2)COC2=C(SC=C2)C(N)=N1
DB07008	C1OC2=C(O1)C=C(OC1=CC=NC(OC3=CC=C(C=C3)N3C=CN=C3)=N1)C=C2
DB07009	OC1=CC2=C(C=C1)N=C(O2)C1=C2C=CC=C(O)C2=CC=C1
DB07010	ClC1=CC(=CC=C1)C1=CNN=C1C1=CNC(=C1)C(=O)NCC1=CC=CC=C1
DB07011	[H][C@@]1(CCCN(CC2=CC3=C(OCO3)C=C2)C1)OC1=CC=C(C=C1)N1C=CN=C1
DB07012	NC1=NC2=CC3=C(C=C2C(=O)N1)N=CN3
DB07013	CC#CCNC1=CC=C(C=C1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)NO
DB07014	COC1=C(F)C=C(CSC2=NN=C(O2)C2=CC3=C(OCO3)C=C2)C=C1
DB07015	[H][C@]1(N)CN(C[C@@]1([H])C(=O)N1CCCC1)C(=O)C1=CN=C2C=CC=CC2=N1
DB07016	[H][C@]1(C)CNC2=C(C1)C=CC=C2S(=O)=O
DB07017	C[C@H](NC1=NC(=O)[C@@](C)(S1)C(C)(C)O)C1=CC=C(F)C=C1
DB07018	CCC1=C(C)NC(=O)C(N(C)CCOC)=C1CC1=CC=CC(C)=C1
DB07019	[H][C@@]1(C)CCC2=CC(C[C@@](C)(N)C(=O)OCC3=CC(CC1)=NC(=C3)N(C)S(C)(=O)=O)=CC=C2
DB07020	O=C(NC1=CC(=CC=C1)C1=NNC2=CC=C(C=C12)C1=NNC=N1)C1=CC=CO1
DB07021	[H][C@]1(N)CN2C(C[C@]1([H])C1=CC(F)=C(F)C=C1F)=NC1=C2C=CN=C1
DB07022	NC(=N)C1=CC2=C(NC(=O)C3=CC=CC(=C3)S(=O)(=O)OCCCO)C=CC=C2C=C1
DB07023	[H]N([H])C(=NC[C@H](OC(=O)C1=CN=CC=C1)C1=CC=C(C=C1)B1OC[C@@H](CO)O1)N([H])[H]
DB07024	CC1=CC(N2CCCS2(=O)=O)=C2OC(=C(O)C(=O)C2=C1)C1=CC=C(O)C(O)=C1
DB07025	NCC1CCN(CC2=CC3=C(NC(=C3)C3=CC4=CC=CC=C4NC3=O)C=C2)CC1
DB07026	[H][C@]12CN(C[C@]([H])(O1)[C@@]([H])(O2)C(=O)NCC1=CC=C(C=C1)C1=CC=CC=C1)C(=O)NO
DB07027	[H][C@@](N)(CC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC=CC(F)=C1
DB07028	OC(=O)COC1=CC(Cl)=CC=C1C(=O)NCC1=C(F)C=C(Br)C=C1
DB07029	CC1=NC(OC2=CC=C(C=C2)N2C=CN=C2)=NC(OC2=CC3=C(OCO3)C=C2)=C1
DB07030	OC(=O)COC1=CC(Cl)=CC=C1C(=O)NCC1=CC(=CC=C1)[N+]([O-])=O
DB07031	CC1(C)CCC(C)(C)C2=C1C=CC(=C2)[C@@H](O)C(=O)NC1=C(F)C=C(C=C1)C(O)=O
DB07032	OC1=CC=C(C=C1)C1=CC2=C(O1)C=CC(O)=C2
DB07033	[H][C@](C)(C1=CC=CN1)C1=C2C=C(O)C=CC2=NC1=O
DB07034	ON=C1C2=CC(OCC(O)=O)=CC=C2C2=C1C=C(OCC(O)=O)C=C2
DB07035	CCC1=C(C)NC(=O)C(I)=C1OC1=CC=CC(\C=C\C#N)=C1
DB07036	[H][C@@]12CC(F)(F)C[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1COC)C1=CC=C(O)C=C1
DB07037	[H][C@](O)(CN)CNC1=C2N=CC=CC2=C(C=C1)[N+]([O-])=O
DB07038	OC(=O)C1=CC=CC=C1NC1CCCCC1
DB07039	C[C@](O)(COC1=CC=C(C=C1)C#N)C(=O)NC1=CC=C(C#N)C(I)=C1
DB07040	NC(=O)C1=C(N)N=C2OC3=C(C=C(F)C=C3)C(=O)C2=C1
DB07041	CC(C)(CNC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C1=NC2=NC(N)=NC(N)=C2C=C1
DB07042	CC(C)(C)C1=NC2=NC(N)=C(C=C2C(NCCC2=CNC=N2)=N1)C(N)=O
DB07043	CC(C)(C)C1=NC(N2CCN(CC2)C2=NC=CC=N2)=C2C=C(C(N)=O)C(N)=NC2=N1
DB07044	OC1=C(Br)C=C(\C=N\NC(=O)C2=CC=CC(Br)=C2)C(O)=C1Br
DB07045	[H][C@]1(CO)O[C@@]([H])(N2C(NCC3=CC=C(Cl)C(Cl)=C3)=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O
DB07046	[H][C@@](O)(CO)CONC(=O)C1=CC=C(F)C(F)=C1NC1=CC=C(I)C=C1Cl
DB07047	OC(=O)C1=CC(=CC=C1O)C1=C(Cl)C=C(Cl)C=C1
DB07048	[H][C@]1(CC2=C(C1)C=C(C=C2)S(N)(=O)=O)NC(=O)C(CCC)CCC
DB07049	[H][C@@]1(C)CN(CCN1S(=O)(=O)C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)[N+]([O-])=O
DB07050	NS(=O)(=O)C1=NN=C(NS(=O)(=O)C2=CC=CC=C2)S1
DB07051	CCOC(=O)C1=C(C)N([NH+]=C1C)C1=CC=CC=C1
DB07052	[H][C@]1(CSCC)O[C@@]([H])(N2C=NC3=C2N=CN=C3N)[C@]([H])(O)[C@]1([H])O
DB07053	CCCC1=C2ON=C(C2=CC=C1OCCCOC1=CC2=C(C=C1)N(CC(O)=O)C=C2)C(F)(F)F
DB07054	[H][C@](O)(COC1=CC=C(NC2=NC=NC(NC3=C(F)C=CC(=C3)C(F)(F)F)=C2)C=C1)CN(C)C
DB07055	O=C1N(CCC2=NN=NN2)C(=O)C2=CC=CC=C12
DB07056	CCN(CC)C(=O)CC1=CC=CC(NS(=O)(=O)C2=C(C)C(Cl)=CC=C2)=N1
DB07057	[H][C@]1(CN(C(=O)C1)C1=C(O)C=CC=C1)C(O)=O
DB07058	COC1=CC=C(C=C1)N1C=NC2=C1C=C(C=C2)C1=NNC(=S)O1
DB07059	CCC1=NC(N)=NC(N)=C1C1=CC2=C(OC(C)(C)C(=O)N2CCNC(C)=O)C=C1
DB07060	[H][C@](O)(CC1=CNC2=C1C=CC=C2)C(O)=O
DB07061	[H][C@](O)(CNC1CCCCC1)CN1C2=C(CCCC2)C2=C1C=CC(C)=C2
DB07062	CC(C)CCN1N2C=CC=C2C(O)=C(C1=O)C1=NC2=C(C=C(NS(C)(=O)=O)C=C2)S(=O)(=O)N1
DB07063	OC(=O)CN1C=C(CC2=NC3=C(S2)C(F)=CC(F)=C3F)C2=C1C=CC=C2
DB07064	[H][C@@]1(CN(CC2=C1C=CC(C)=C2C)C(=O)N(C)C)C1=CC(O)=CC=C1
DB07065	ClC1=C(Cl)C(=CC=C1)C1=NC2=C(SC#N)C=NN2C(NCC2=CC=NC=C2)=C1
DB07066	[H][C@]1(CC2=C(NC1=O)C=CC=C2)NC(=O)C1=CC2=C(N1)SC(Cl)=C2
DB07067	[H][C@@](N)(C(=O)N1CCCC1)[C@]([H])(C)C1=NC(=NO1)C1=CC=C(C=C1)S(C)(=O)=O
DB07068	CCOC(=O)C(CCNC(=O)OC(C)(C)C)(CC1=CC=C(NS(O)(=O)=O)C=C1)C(=O)OCC
DB07069	OC(=O)CNC(=O)C1=CC(O)=CC=C1
DB07070	[H][C@](CC)(CC1=CC(CNC(=O)C2=C(F)C=C(C=C2)C(F)(F)F)=C(OC)C=C1)C(O)=O
DB07071	NC(N)=NCCC1=CC=C(C=C1)B1OC[C@@H](CO)O1
DB07072	[H][C@@]1(CC[C@]([H])(C2=C(F)C=C(F)C(F)=C2)[C@@]([H])(N)C1)N1CCN2C(C1)=NN=C2C(F)(F)F
DB07073	CC1(C)CC2=C(SC(=N2)N2CCOCC2)C(=O)C1
DB07074	COC(=O)C1=CC2=CC=C(C=C2C(NC(=O)C2=CC=CC(O)=C2C)=C1)C(N)=N
DB07075	NCC1CCN(CC2=CC3=C(NC(=C3)C3=NNC4=C3C=CC(=C4)C#N)C=C2)CC1
DB07076	NC(=N)C1=CC2=CC=C(C=C2C=C1)C(=O)NC1=CC=CC(OC2CCCC2)=C1
DB07077	NC(N)=NC1=CC=C(C=C1)B1OC[C@@H](CO)O1
DB07078	COC1=CC(=CC=C1O)C1=CC2=C(C=C1)\C(=C\C1=CC=CN1)C(=O)N2
DB07079	CC#CCOC1=CC=C(C=C1)S(=O)(=O)CCCS
DB07080	OC(C1=CC=C(C=C1)N(CC(F)(F)F)S(=O)(=O)C1=CC=CC=C1)(C(F)(F)F)C(F)(F)F
DB07081	[H][C@](N)(CC(=O)N1CCN2N=C(N=C2[C@@]1([H])C)C(F)(F)F)CC1=C(F)C=C(F)C(F)=C1
DB07082	OC(C1=CC=C(NCC(F)(F)F)C=C1)(C(F)(F)F)C(F)(F)F
DB07083	[H][C@@](N)(C(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCCC
DB07084	CC(=O)NC1=CC=C2OCCOCCOC3=C(OCCOCCOC2=C1)C=CC=C3
DB07085	CC(=O)C1=CC(F)=C(Cl)C=C1NCC(=O)NC1=CC=CC=C1C(O)=O
DB07086	[H][C@@]12C[C@@](CO)(CO[C@]1([H])C1=CC=C(O)C=C1)CC=C2C
DB07087	[H][C@]1(C)CC[C@]2(CO)CO[C@]([H])(C3=CC=C(O)C=C3)[C@@]1([H])[C@@]2([H])C
DB07088	[H][C@]1(CCCN1C(=O)COC1CCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N
DB07089	CCCOC1=CC=C(C=C1)C1=CSC(=C1CC(=O)NC(N)=N)C1=CC=CC=C1Cl
DB07090	[H][C@]1(CN(C2CCCCC2)C(=O)C1)C(=O)NC1=C(C)C(Cl)=CC=C1
DB07091	[H][C@]1(CCCN1C(=O)COC1CCCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N
DB07092	[H][C@@](N)(C(=O)N1CCC(F)(F)C1)[C@@]([H])(C(=O)N(C)C)[C@@]1([H])CC[C@@]([H])(CC1)C1=CN2N=CN=C2C=C1
DB07093	OC(=O)CN1C=CC(=O)N(CC2=NC3=CC(Cl)=CC=C3S2)C1=O
DB07094	NCC1=CC=C(S1)C1=CC=CS1
DB07095	[H][C@]1(CCCN1C(=O)CCC1CCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N
DB07096	NC1=CC=C2C(=O)NC(=O)C3=CC=CC1=C23
DB07097	CC(C)(C)C1=CC=C(C=C1)C(=O)N\N=C\C1=CC(Br)=C(O)C(Br)=C1O
DB07098	OC1=C(Br)C=C(\C=N\NC(=O)C2=CC=C(Br)C=C2)C(O)=C1Br
DB07099	NCC(=O)NC1=CC=C(OCC2=CC=CC=C2)C=C1
DB07100	OC1=CC(O)=C(Cl)C=C1C1=C(C=NN1)N1CCNCC1
DB07101	[H][C@@](O)(CO)CONC(=O)C1=C(NC2=CC=C(I)C=C2F)C(F)=C(F)C=C1
DB07102	[H][C@](N)(CCC(=O)NC1=CC=C(OCC2=CC=CC=C2)C=C1)C(O)=O
DB07103	[H][P@]([O-])(=O)CCOC1=CC=C(C)C=C1
DB07104	NCCCC(=O)NC1=CC=C(OCC2=CC=CC=C2)C=C1
DB07105	NC(N)=NC1=CC=C(CC(NC(=O)CSC2=CC=C(Cl)C=C2)C(N)=O)C=C1
DB07106	CN(C)CCCCSC(N)=N
DB07107	[H][C@@](N)(COC1=CN=CC(\C=C\C2=CC=NC=C2)=C1)CC1=CNC2=C1C=CC=C2
DB07108	OC(=O)C1=CC=C(C=C1)C1=CC=C(F)C=C1
DB07109	COC1=C(O)C=C(\C=C\C(O)=O)C=C1
DB07110	FC1=CC=C(CC2CCNCC2)C=C1
DB07111	[H][C@](O)(CCC(O)=O)\C=C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
DB07112	OC(=O)CNC(=O)C1=C(O)C2=CC=CC(I)=C2C=N1
DB07113	[H][C@]1(OC2=C(C=C(C=C2)C2=C(N)N=C(N)N=C2CC)N(CCCOC)C1=O)C1=CC(F)=CC(F)=C1
DB07114	CS(=O)(=O)NC1=CC=C(C=C1)C(O)=O
DB07115	CN(CC1=CC=C(Cl)C=C1)S(=O)(=O)C1=CC=C(C=C1)S(N)(=O)=O
DB07116	[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=CC2=C(C)C=CC=C12
DB07117	O=C1NC(=O)C(N2CCN(CC2)C2=NC=CC=N2)(C(=O)N1)C1=CC=C(OC2=CC=CC=C2)C=C1
DB07118	CC1=CC(=O)OC2=C1C=CC(O)=C2
DB07119	OC1=CC=C(C=C1)C1=CC=C2C(C=CC(O)=C2Cl)=C1
DB07120	NC(N)=NNC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1
DB07121	[H][C@]1(N(CCSC1(C)C)S(=O)(=O)C1=CC=C(OCC#CCN)C=C1)C(=O)NO
DB07122	NC(N)=NC1=CC=C(CC(=O)C2=CC=CC=C2)C=C1
DB07123	CC1=CC=C(C=C1)C(=O)N1CCC(CC2=CC=CC=C2)CC1
DB07124	[H][C@@](N)(COC1=CN=CC(=C1)C1=NCC2=NN=CC2=C1)CC1=C2C=CCC=C2N=C1
DB07125	[H][C@@](CC)(CO)NC1=NN2C(C=C1)=NC=C2C1=CC=C(C=C1)C(O)=O
DB07126	NS(=O)(=O)C1=CC=C(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)C=C1
DB07127	CC1=NC(=NO1)C(CC1=CC=CC=C1)(CC1=CC=C(NS(O)(=O)=O)C=C1)C1=NOC(C)=N1
DB07128	CCCCNC1=CC(C)=NC2=NC(NC3=CC(Cl)=CC=C3C)=NN12
DB07129	[H][C@](C)(N)COC1=C(C)C=CC=C1C
DB07130	OC(=O)COC1=C(SC(=C1Br)C1=CC=CC=C1)C(O)=O
DB07131	[H][C@]1(CCCN1C(=O)CCC1CCCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N
DB07132	[H][C@](C)(C1=CC=CN1)C1=C2C=C(NC(N)=O)C=CC2=NC1=O
DB07133	[H][C@@](N)(CC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC(C)=CC=C1
DB07134	ClC1=C(SC=C1N1CC(=O)NS1(=O)=O)C1=CC=CC=C1
DB07135	[H][C@@](N)(C(=O)N1CC[C@]([H])(F)C1)[C@@]([H])(C(=O)N(C)C)[C@@]1([H])CC[C@@]([H])(CC1)C1=CC=CC2=NC=NN12
DB07136	[H][C@@](C[P@](O)(=O)[C@@]([H])(NS(=O)(=O)CCCC1=CC=CC=C1)C(C)C)(C(O)=O)C1=CC(CN)=CC=C1
DB07137	C[C@H](C(=O)\N=C1/C=C(N=N1)C1CC1)C1=CC=C(C=C1)N1CCNC1=O
DB07138	FC1=CC(F)=C(SC2=NN3C=NC(=O)C(=C3C=C2)C2=C(Cl)C=CC=C2Cl)C=C1
DB07139	OC(=O)CCC1=CC=C(S1)C1=CC(=CC=C1)[N+]([O-])=O
DB07140	[H][C@](C)(C#CC1=C(C)N=C(N)N=C1N)C1=CC(OC)=CC(=C1)C1=CC=CC=C1
DB07141	[H][C@](C)(C#CC1=C(C)N=C(N)N=C1N)C1=CC(OC)=CC(=C1)C1=CC=C(C)C=C1
DB07142	[H][C@](C)(C#CC1=C(C)N=C(N)N=C1N)C1=CC(OC)=CC(=C1)C1=CC(C)=CC(C)=C1
DB07143	[H][C@@](N)(CC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC=CC=C1
DB07144	[H][C@](C)(C#CC1=C(N)N=C(N)N=C1C)C1=CC(OC)=CC(=C1)C1=C(C)C=CC=C1C
DB07145	[H][C@](C)(N1CC[C@](C)(C1=O)C1=CC=C(OCC2=CC(C)=NC3=CC=CC=C23)C=C1)C(=O)NO
DB07146	C(CN1CCNCC1)NC1=CC=NC2=C1C(=C(O2)C1=CC=CC=C1)C1=CC=CC=C1
DB07147	[H][C@@]1(C[C@]1(CC1=CC=C(OCC2=CC(C)=NC3=C2C=CC=C3)C=C1)C(=O)OC)C(=O)NO
DB07148	[H][C@]1(C=CC2=C(Cl)N=C(OCC3=CC=C(F)C=C3)C(=O)N12)C(=O)N1CCCC1
DB07149	[H][C@]1(CCF)CNC(=O)C2=C1NC(=C2)C1=NC(N)=NC=C1
DB07150	O\N=C\C1=C2C=CC=CC2=C(C=C1)C1=CC=C(O)C=C1
DB07151	CC1=CC(=CC=C1O)C1=NC(=O)N=C(C1)C1=CC=CC=C1
DB07152	CC(=O)NC1=NC(=C(N1)C1=CC=C2N=CC=NC2=C1)C1=NC(C)=C(F)C=C1
DB07153	COC1=CC(=CC(OC)=C1OC)C(C)(C)C#CC1=C(C)N=C(N)N=C1N
DB07154	[H][C@](N)(CC(=O)N1CCCNC(=O)[C@@]1([H])C)CC1=C(F)C=C(F)C(F)=C1
DB07155	[H][C@]1(CN(C2CCCCC2)C(=O)C1)C(=O)NC1=CC=CC=C1
DB07156	BrC1=CC=C2C(=O)NC(=O)\C(=C/NC3=CC=C(CN4CCCC4)C=C3)C2=C1
DB07157	[H][C@](NC(=O)OCC1=CC=CC=C1)(C(C)C)[P@@](O)(=O)O[C@]([H])(C(O)=O)C1=CC(CN)=CC=C1
DB07158	CCN1C(=O)C2=C(NN=C2C)C2=C1C=CC=C2
DB07159	COC1=CC(NC2=NC=C(F)C(NC3=CC=C4OC(C)(C)C(=O)NC4=N3)=N2)=CC(OC)=C1OC
DB07160	[H][C@](C)(CC)[C@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)OCC)C(O)=O
DB07161	NC1=NNC2=CC=C(C=C12)C1=CC=CC=C1
DB07162	CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)C1=CC2=C(NN=C2N)C=C1
DB07163	NCCNC1=CC(C2=CC=CN2)=C2C(=O)NC3=CC=C(F)C1=C23
DB07164	C1CC1NC1=NC(=CC=N1)C1=C2C=CC=NN2N=C1
DB07165	[H][C@@]1(Cl)CN=C(NCCC2=NC=CC=C2)[C@]([H])(O)N1CC(=O)NCC1=CSC2=CC=C(Cl)C=C12
DB07167	CC1CCN(CC1)C1=CC=C(CO)C=C1NC(=O)C1=CC=C(O1)C#N
DB07168	CNC1=NC(NC2=CC=C(CC#N)C=C2)=NC(NC2=NNC(=C2)C2CC2)=C1
DB07169	[H][C@]1(CC2=CC=C(Cl)C(Cl)=C2)SC(=S)N(NS(=O)(=O)C2=CC=CS2)C1=O
DB07170	[H][C@]1(O)C[C@@]([H])(O[C@]1([H])CF)N1C=NC2=C1N=CN=C2N
DB07171	OCCCCC(CCO)CCCCO
DB07172	[H][C@@](O)(CCCC(O)=O)\C=C\C=C/C\C=C/C\C=C/C\C=C/CC
DB07173	[H][C@]1(C)O[C@@]([H])(N2C=C(I)C3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O
DB07174	CCC1=C(C(N)=NC(N)=N1)C1=CC=C2OC(C)(C)C(=O)N(CCCOC)C2=C1
DB07175	CC1=CC=C(NC2=CC(=NC=N2)C2=CC=CC=C2)C=C1NS(C)(=O)=O
DB07176	NC1=C2C=CC=C(C2=CC=C1)S(O)(=O)=O
DB07177	[H]C(CCCC(O)=O)=C([H])CC1C(\C([H])=C(/[H])C(=O)CCCCC)C(O)CC1=O
DB07178	CCCCCC1=CC(O)=C(OC2=CC=CC=C2)C=C1
DB07179	CC1=C(C=CC=C1)C1=NC2=C(Br)C=NN2C(NCC2=C[N+]([O-])=CC=C2)=C1
DB07180	[H]N(C)C(=O)C1=C(C)N([H])C(\C=C2/C(=O)N([H])C3=C2C=C(Cl)C=C3)=C1C
DB07181	[H][C@@](N)(CC1=CC(F)=CC=C1F)C1=CC=C(C=C1)C1=CC=CC(=C1)C(N)=O
DB07182	NC(N)=NC1=CC=CC(=C1)C(CP(O)(=O)CCCC1=CC=CC=C1)C(O)=O
DB07183	O=C(NC1=CC=C(OC2=CC=CC=C2)C=C1)C1=C(NCC2=CC=NC=C2)N=CC=C1
DB07184	CCOCN1C(=O)NC(=O)C(C(C)C)=C1SC1CCCCC1
DB07185	OC(=O)C1=C(NC(=O)COC2=CC=C(Cl)C=C2)C=CC=C1
DB07186	CN1CCN(CC1)C1=CC=C(C=C1)C(=O)NC1=NNC2=CN(C=C12)C(=O)CC1=CC=CS1
DB07187	CC1=C(OC2=CC=C(Cl)C=C12)S(=O)(=O)C1=NNC(=O)C=C1
DB07188	[H][C@]1(CN(C2CCCCC2)C(=O)C1)C(=O)NC1=CC(Cl)=CC(Cl)=C1
DB07189	[H][C@@]1(C[C@@]11C[C@]([H])(NC1=O)C1=CC=C(OCC2=CC(=NC3=C2C=CC=C3)C2=CC=CC=C2)C=C1)C(O)=O
DB07190	[H][C@@](N)(CC1CCCCC1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC(Cl)=CC=C1
DB07192	[H][C@]1(CN(C2CCCCC2)C(=O)C1)C(=O)NC1=CC=CC(Br)=C1
DB07193	[H][C@]1(N)CN2C(C[C@]1([H])C1=C(F)C=C(F)C(F)=C1)=NC1=CC(=CC=C21)S(C)(=O)=O
DB07194	[H][C@](C)(CO)NC(=O)C1=C(C)N=C(S1)C1=NC(NC2=CC(C)=CC(C)=C2)=NC=C1
DB07195	[H][C@]1(C)C=C(C)[C@]2([H])[C@]([H])(C)[C@@]1(CO)CO[C@]2([H])C1=CC=C(O)C=C1
DB07196	CNCC1=CC=CC=C1C1=CC=CS1
DB07197	OC(=O)COC1=C(SC(=C1Br)C1=CC=C(O)C=C1)C(O)=O
DB07198	OC1=CC=C(C=C1)C1=CC2=C(O1)C(=CC(O)=C2)C#N
DB07199	[H][C@@]1(C[C@](CC(C)C)(N(C(=O)C2=CC=C(C=C2)C(C)(C)C)[C@@]1([H])C1=NC=CS1)C(O)=O)C(O)=O
DB07200	[H][C@@]1(C[C@](CC(C)C)(N(C(=O)C2=CC=C(C=C2)C(F)(F)F)[C@@]1([H])C1=CC=CS1)C(O)=O)C(O)=O
DB07201	[H][C@](C)(CON=C1C2=C(C=CC=C2)C2=C1C=CC=C2)C(O)=O
DB07202	CC1=NOC(=C1)C1=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2
DB07203	ClC1=CC=CC(NC2=NC(OCC3CCCCC3)=C3NC=NC3=N2)=C1
DB07204	[H][C@@](N)(COC1=C2C=CC(=NC2=CN=C1)C1=CC=NC=C1)CC1=CNC2=C1C=CC=C2
DB07205	[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=C2N=CN=C3NCCC(C)C)[C@]([H])(O)[C@]1([H])O
DB07206	NC1=NC(CCC2=CC=C3C=CNC3=C2)=CC=C1
DB07207	NC(=N)C1=CC=C2NC(=NC2=C1)C1=NNC(=C1O)C1=CC=CC=C1
DB07208	[H][C@](O)(C\C=C/CCCCC)\C=C\CC(=O)CCCCC(O)=O
DB07209	[H][C@@](O)(CC(=O)CCCCC(O)=O)\C=C/C\C=C/CCCCC
DB07210	BrC1=C2N=C(C=C(NCC3=CC=NC=C3)N2N=C1)C1=CC=CC=C1
DB07211	C\C(=C/S(=O)(=O)N[C@@]1([H])CCN([C@](C)([H])C(=O)N2CCOCC2)C1=O)C1=CC=C(Cl)S1
DB07212	CC1=C(O)C=CC=C1C(=O)NC1=C2C=C(C=CC2=CC=C1)C(N)=N
DB07213	OCC1=NNN=C1C1=CC2=C(C=C1)C(=NN2)C1=CC2=C(N1)C=CC(CN1CCCCC1)=C2
DB07215	CC1=C(SC(=N1)C1=CC=C(C=C1)C(F)(F)F)C(=O)NCC1=CC=C(OC(C)(C)C(O)=O)C=C1
DB07216	[H][C@]1(C2CCN(CC2)S(C)(=O)=O)C2=C(C=C(Cl)C=C2)C(=CC2=C1N=CC=C2)N1CCNCC1
DB07217	FC1=CC=CC=C1C(=O)NC1=C(C#N)C2=C(CCCC2)S1
DB07218	CN1N=C(C)C2=C1N(O)C1=C(C=C(Cl)C=C1)C2=O
DB07219	[H][C@](C)(CC)[C@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)NCCC)C(=O)N1CCC[C@@]1([H])C(=O)OCC1=CC=CC=C1
DB07220	O=C(CC1=CC=C(C=C1)N1CCCCC1)NC1=NNC2=C1C=C(C=C2)N1CCCS1(=O)=O
DB07221	CCCCCCCCCCCC[P+](C)(C)CC(P(O)(O)=O)P(O)(O)=O
DB07222	[H][C@]1(CN(C2CCCCC2)C(=O)C1)C(=O)NC1=C(C)C=CC(Cl)=C1
DB07223	[H][C@](C)(CC)[C@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)NCCC)C(=O)N1CCC[C@@]1([H])C(=O)OC
DB07224	[H][C@@](C)(NC(=O)[C@@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)OCC)[C@@]([H])(C)CC)C(O)=O
DB07225	[H][C@](C)(CC)[C@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)OCC)[C@@]([H])(C)CC)C(O)=O
DB07226	ClC1=CC=CC=C1C1=CC2=C(C3=C(N2)C=CC(NC=O)=C3)C2=C1C(=O)NC2=O
DB07227	ClC1=CC=CC(=C1)N1CCN(CC2=CN=CN2CC2=CC=C(C=C2)C#N)CC1=O
DB07228	[H][C@](C)(CN(C)C)OC1=CN=CC(NC(=O)NC2=C(OC)C=CC(Cl)=C2)=N1
DB07229	COC1=CC(=C([O-])C(=C1)C1=CC2=CC(=CC=C2N1)C(N)=[NH2+])C1=CC=CC=C1
DB07230	OC1=CC=C(C=C1)C1=C(Br)C2=C(C=C(O)C=C2)C1=O
DB07231	[H][C@](C)(CC)[C@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)NCC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(O)=O
DB07232	C[C@@]1(CCCN1)C1=NC2=CC=CC(C(N)=O)=C2N1
DB07233	[H][C@](CC1=CNC2=C1C=C(C)C=C2)(NS(=O)(=O)C1=CC=C(OCC#CC)C=C1)C(O)=O
DB07234	[H][C@](C)(NC1=C(NC2=CC=NC=C2)C(=O)C1=O)C1=CC=CC=C1
DB07235	[H][C@@](CN)(CC1=C(Cl)C=C(Cl)C=C1)NC(=O)C1=CC=C(S1)C1=CC=NC(NC)=N1
DB07236	OC1=CC2=C(C=C1)C(=NO2)C1=CC2=C(C=C1)C=C(O)C=C2
DB07237	[H][C@]1(COC2=CC=C(C=C2)C(=O)C2=CC=C(C=C2)C2=CSC=C2)CCCN1
DB07238	CNC(=O)C1=C(OC2=CC(N(CCO)S(C)(=O)=O)=C(C=C12)C1CC1)C1=CC=C(F)C=C1
DB07239	CN1C=NC2=CC(C#N)=C(C(CN)=C12)C1=C(Cl)C=CC=C1
DB07240	OC(=O)CCON=C1C2=C(C=CC=C2)C2=C1C=CC=C2
DB07241	OC(=O)C1=C2C(=C(O)N1)C1=C(NC3=C1C=CC=C3)C1=C2C2=C(N1)C=CC=C2
DB07242	[H][C@@]1(C#N)C2=C(N(C)C3=C(Cl)C(Cl)=CC=C23)C(=O)NC11CCN(C)CC1
DB07243	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)OC(=O)C1=CNC3=C1C=CC=N3)N2C
DB07244	CCC1=C(C(N)=NC(N)=N1)C1=CC=C(NCC2=CC(F)=CC(F)=C2)C=C1
DB07245	COC1=CC=CC(=C1)C1=CC(CCC2=CC=CC(N)=N2)=CC=C1
DB07246	N[C@](CS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)(C(=O)NO)C(F)(F)F
DB07247	NC(=O)NCC1=CC(=CC=C1)C1=C(O)C(=CC=C1)C1=CC2=C(N1)C=CN=C2
DB07248	COC1=CC(NC2=NC=C3C=CN(C3=N2)C2=CC=CC=N2)=CC(OC)=C1OC
DB07249	COC1=C(OCCCN2CCCCC2)C=C2N=CN=C(NC3=C(Cl)C=CC4=C3OCO4)C2=C1
DB07250	COC1=CC(NC2=NC(NC3=C(Cl)C=CC4=C3OCO4)=CC=N2)=CC(OC)=C1OC
DB07251	COC1=CC(NC2=NC=NC(NC3=CC(Cl)=C(OC)C=C3)=N2)=CC(OC)=C1OC
DB07252	NS(=O)(=O)C1=CC(NC2=NC(NC3=C(Cl)C=CC4=C3OCO4)=CC=N2)=CC=C1
DB07253	CS(=O)(=O)C1=CC(NC2=NC(NC3=C(Cl)C=CC4=C3OCO4)=CC=N2)=CC=C1
DB07254	CS(=O)(=O)NC1=CC(NC2=NC(NC3=C(Cl)C=CC4=C3OCO4)=CC=N2)=CC=C1
DB07255	ClC1=C(NC2=NC(NC3=CC(=CC=C3)N3CCOCC3)=NC=C2)C2=C(OCO2)C=C1
DB07256	NC(=O)C1=CC(NC2=NC(NC3=C(Cl)C=CC4=C3OCO4)=CC=N2)=CC=C1
DB07257	CN1C=C(CCO)C2=C1C=C(C1=C2C(=O)NC1=O)C1=CC=CC=C1Cl
DB07258	[H][C@](O)(C1=CC=NC=C1)C1=CC=C(OCCN2CCCC2)C=C1
DB07259	NCC1=CC=C(C=C1)C1=CC=CS1
DB07260	[H][C@]1(COC2=CC=C(NCC3=CC=CC=C3)C=C2)CCCN1
DB07261	[H][C@@]1(CCN(CC2=CC3=C(C=CN=C3N)C=C2)C1=O)NS(=O)(=O)C1=CC2=C(S1)C=CC=N2
DB07262	NC(=N)NC(=N)SCC1=CC=CC(=C1)C(F)(F)F
DB07263	[H][C@](CC1=CC(Br)=C(C=C1)C(F)(F)P(O)(O)=O)(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
DB07264	[H][C@](CO)(NC(=O)C1=CC(=CN1)C1=NNC=C1C1=CC=CC(Cl)=C1)C1=CC(Cl)=C(F)C=C1
DB07265	OC(=O)CCN1C2=C(C=C(O)C=C2)C2=C1C=C(C1=C2C(=O)NC1=O)C1=CC=CC=C1
DB07266	CCN1C(=O)C(C)(C)C2=CC3=C(C=C12)C1=C(N3)C2=C(CCC1)C(C)=NN2
DB07267	CC1=CC=CC(=N1)C1=NC(NC2=CC=NC=C2)=C2C=CC=CC2=N1
DB07268	NC(=O)C1=CC=CC=C1NC1=NC(NC2=CC(O)=CC=C2)=NC=C1
DB07269	[H][C@@](C[P@](O)(=O)[C@@]([H])(NC(=O)OCC1=CC=CC=C1)C(C)C)(C(O)=O)C1=CC(CN)=CC=C1
DB07270	COC1=CC2=C(OC(NS(=O)(=O)C3=CC(Cl)=CC=C3Cl)=N2)C(=C1)C1=CC(N)=CC=C1
DB07271	N[C@@H](CC(=O)N1CCCNC(=O)C1CC(F)(F)F)CC1=C(F)C=C(F)C(F)=C1
DB07272	CCOC1=NC(NC(=O)CC2=CC(OC)=C(Br)C=C2OC)=CC(N)=C1C#N
DB07273	[H][C@]1(CCCN1S(=O)(=O)C1=C(N)C=C(Cl)C(C)=C1)C(O)=O
DB07274	COC1=C(OC)C=C2C(OC3=CC4=CC=CC(C(=O)NC5CC5)=C4C=C3)=CC=NC2=C1
DB07275	CC(C)CCN1C(=O)C(C2=NS(=O)(=O)C3=CC=CC=C3N2)=C(O)C2=CC=CC=C12
DB07276	CCOC1=NC(=CC=C1C#N)C(=O)NCC1=CC(OC)=CC=C1OC
DB07277	[H][C@@](C)(N1CC[C@]([H])(NS(=O)(=O)CCC2=CC=C(Cl)S2)C1=O)C(=O)N1CCOCC1
DB07278	O=C([C@@](C)([H])N1CC[C@]([H])(NS(=O)(=O)\C=C\C2=CC=C(Cl)S2)C1=O)N1CCOCC1
DB07279	[H][C@](C)(COC1=CC(=CC(C)=C1)C(=O)N(CC)C(C)C)NC1=CC=NC=C1
DB07280	CN(C)C1=CC=C(C=C1)C1=C(N=CN=C1N)C#CC1=CC=C(N=C1)N1CCOCC1
DB07281	NC1=NC=CC=C1NCC1=CC=CC=C1
DB07282	COC1=CC=CC=C1\C=N/OCCC(O)=O
DB07283	OC(=O)C1=C2N(CC3=CC=CC=C3)C3=C(CCCC3)C2=CC=C1
DB07284	NC1=NC=CC=C1NCC1=CC=CC(=C1)C1=CN=CC=C1
DB07285	[H][C@@](CC(O)=O)(C(F)F)S(=O)(=O)C1=CC=C(OC)C=C1
DB07286	[H][C@@]1(O)CCN2C(=O)N(C(=O)[C@]12[H])C1=C(C)C(Cl)=C(C=C1)C#N
DB07287	OC1=CC(CC2=CC=CC=N2)=CC=C1OC1=CC=C(Cl)C=C1Cl
DB07288	ClC1=CC=C(NC(=O)C2=C(NCC3=CC=NC=C3)C=CC=C2)C=C1
DB07289	OC(=O)COC1=C(SC(=C1Br)C1=CC=CC(NCC2=CC=CC=C2)=C1)C(O)=O
DB07290	[H][C@@](NS(=O)(=O)C1=CC(C)=C(F)C=C1)(C1CCOCC1)C(=O)NO
DB07291	NC1=C(C=NN1C1=CC=C(Cl)C=C1)C#N
DB07292	NC1=NC(=CS1)C1=CC=C(O)C=C1
DB07293	CC(=O)CNC(=O)OCC1=CC=CC=C1
DB07294	CC1(C)CCC(C)(C)C2=C1C=CC(=C2)[C@H](O)C(=O)NC1=C(F)C=C(C=C1)C(O)=O
DB07295	OC(=O)C(=O)N(C1=CC=CC=C1C(O)=O)C1=CC=CC2=CC=C(O)C=C12
DB07296	OC1=C(C(=O)O\C1=C/C1=CC=CC2=CC=CC=C12)C1=CC=C(Cl)C=C1
DB07297	C(CN1CCNCC1)NC1=C2C(OC(=C2C2=CC=CC=C2)C2=CC=CC=C2)=NC=N1
DB07298	OC(=O)COC1=C(SC2=NC=CC=C12)C(O)=O
DB07299	[H][C@@](CCCNC(N)N)(NC(=O)[C@@]([H])(NC(=O)CCC(C)C)C(C)C)C(=O)C1=NC=CS1
DB07300	COCCOC1=C(OC)C=C2C(=C1)N=CC1=C(N)N=C(C=C21)N1C=CN=C1
DB07301	N1C2=CC=CC=C2C2=CC=CC=C12
DB07302	[H][C@](O)(CCCCCCCC(O)=O)\C=C\C=C/CCCCC
DB07303	COC1=CN=CC(=C1)C1=CC(CNC2=CC=CN=C2N)=CC=C1
DB07304	OC(=O)C1=CC=C(O1)C1=C(OC(F)(F)F)C=CC=C1
DB07305	OC(=O)C1=CC=C(O1)C1=CC=C(C=C1Cl)[N+]([O-])=O
DB07306	CCOC(=O)N1CCC(CC1)NC1=NC=CC(Cl)=C1
DB07307	CC1=CC=CC=C1C1=NN=CC2=C1C=CC(=C2)C1=C(C)C=CC(=C1)C(=O)NC1CC1
DB07308	OC(=O)C1=CC=C(CC2=CC=CC=C2Cl)O1
DB07309	OC(=O)C1=C(NS(=O)(=O)C2=CC=C(Cl)C=C2)C=CC(Br)=C1
DB07310	C[C@H](NC1=NC(=O)[C@](C)(S1)C(F)(F)F)C1=C(F)C=CC=C1
DB07311	ClC1=CC2=C(OCCCCCOC3=CN=CC(NC(=O)N2)=N3)C=C1
DB07312	ClC1=CC=C2OC(NS(=O)(=O)C3=CC(Cl)=CC=C3Cl)=NC2=C1
DB07313	CC1=CC=C(NS(=O)(=O)C2=CC=CC=C2)C(=C1)C(O)=O
DB07314	COC1=CC(OC)=C(NC(=O)NC2=NC=C(N=C2)C#N)C=C1Cl
DB07315	[H][C@](O)(CO)C1=CC=C(NC(=O)C2=CC3=CC(Cl)=CC=C3N2)C=C1
DB07316	C[C@](O)(C1=CC=C(C=C1)C(=O)N(C1CC1)C1CCN(CC2(CC2)C(N)=O)CC1)C(F)(F)F
DB07317	O=C1OCC\C1=C/NC1=CC=CC=C1
DB07318	[H][C@@]1(CCNC(=O)C2=COC=C2)NC2=C(F)C=CC(F)=C2C(N)=N1
DB07319	NC1=NC(=NC(N)=N1)C1=CC2=CC=CC=C2C=C1Br
DB07320	[H][C@]1(C)CC[C@]([H])(CC1)NCC1=CC2=C(C=C1)C1=C(C2)C(=NN1)C1=CC=C(C=C1)C(O)=O
DB07321	COC1=CC2=C(OC(NS(=O)(=O)C3=CC(Cl)=CC=C3Cl)=N2)C(=C1)C1=CN=C(OC)C=C1
DB07322	OC(=O)C1=C2CCCCC2=CC=C1NS(=O)(=O)C1=CC=CC=C1
DB07323	CN(C)C\C=C/C1=CC(F)=CC=C1S(=O)(=O)NC1=CC=C2CCCCC2=C1C(O)=O
DB07324	CC1=CC(=NC(N)=N1)C#CC1=C(CNN2C=COC2=O)C=CC=C1
DB07325	CC1=NC(N)=NC(CNS(=O)(=O)C2=CC(N\C=C3/CCOC3=O)=CC=C2)=C1
DB07326	FC(F)(F)C1=CC(NC2=NOC3=C(C(=O)NC4=CN=CN=C4)C(Cl)=CC=C23)=CC=C1
DB07327	[H][C@@](NC1=CC(C)=CC=C1C(C)=O)(C(N)=O)C1=C(Br)C=CC=C1Br
DB07328	[H][C@]1(CNC(=O)NC2=CC=C(C=C2)C(=O)OC)CC[C@]([H])(N1)C(=O)N1CCC[C@@]1([H])CN
DB07329	OC(=O)CCCCN(CC1=CC=C(C=C1)[N+]([O-])=O)CP(O)(O)=O
DB07330	CCCN1CCC(CC1)C1=NC2=C(N1)C(=CC=C2)C(N)=O
DB07331	OC(=O)CC1=CC=C(C=C1)[N+]([O-])=O
DB07332	[H][C@@](NC1=C(C=CC(C)=C1)C(C)=O)(C(N)=O)C1=C(Cl)C=CC=C1Cl
DB07333	COC1=CC=C(C=C1NC1=NC=C(O1)C1=CC(=CC=C1)C1=CN=CC=C1)S(=O)(=O)NCC1CC1
DB07334	CCS(=O)(=O)C1=CC=C(OC)C(NC2=NC=C(O2)C2=CC=CC(=C2)C2=CC=CC=N2)=C1
DB07335	CC(C)N1N=C(C2=C1N=CN=C2N)C1=CC=CC(O)=C1
DB07336	COC1=CC(=CC=C1O)C1=CC2=C(C=C1)C(=NN2)C1=NC2=CC=CC=C2N1
DB07337	NC1=NC(CC2=C3C=CNC3=CC=C2Cl)=NC(NC2=CC=C(C=C2)C#N)=N1
DB07338	OC(=O)C1=C(C=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=C1)[N+]([O-])=O
DB07339	[H][C@@]1(O)CN(C)C2=CC(=O)C(=O)C=C12
DB07340	C1CCC(CC1)NC1=C2N=CNC2=NC(NC2=CC=C(C=C2)N2CCOCC2)=N1
DB07341	[H][C@]1(O)C[C@]([H])(O[C@]2([H])[C@@]([H])(N)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]2([H])OCCCCCCCC)O[C@@]([H])(C)[C@@]1([H])O
DB07342	[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)CN1C=CN=C1
DB07343	NC1=NC(OC2=C(Cl)C=CC=C2Cl)=NC(NC2=CC=C(C=C2)C#N)=N1
DB07344	CCOCCOCCOCCOCCOCCO
DB07345	NCCC1=CC=C(O)C(=C1)C1CCCCC1
DB07346	CCC1=CC(CCN)=CC=C1O
DB07347	NCCC1=CC=C(C=C1)S(F)(=O)=O
DB07348	[H][C@]1(O)C[C@@]2([H])\C=C\CCC[C@]([H])(C)OC(=O)\C=C\[C@@]([H])(O)[C@]2([H])C1
DB07349	[H][C@](O)(CO)CO[P@@]([O-])(=O)OC[C@@]([H])(COC(=O)CCCC)OC(=O)CCCCCCC
DB07350	CN1C=C(C=C1\C=C\C(=O)NO)C(=O)CC1=CC=CC=C1
DB07351	[H][C@@](C)(NC(=O)OCC1=CC=CC=C1)C(=O)NC[P@](O)(=O)O[C@@]([H])(CC1=CC=CC=C1)C(O)=O
DB07352	OC1=CC=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2O
DB07353	[H][C@](N)(O)CC[C@@]([H])(N)CC1=CC=C(O)C=C1
DB07354	COC1=C(OC)C=C2C3=C([NH+]=CC2=C1)C1=C(C3)C=C2OCOC2=C1
DB07355	CCCCCCCOC1=CC=CC(=C1)C(O)=O
DB07356	[H][C@](N)(C1CCCC1)C(=O)N1[C@]([H])(CN)CC[C@]1([H])C#C
DB07357	[H][C@]1(N)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCC)[C@]1([H])O
DB07358	CN1C=NN=C1SC1=CC=C(N)C(=C1)C(=O)NC1=NC(C)=CS1
DB07359	CN1C=NN=C1SC1=NC(C(=O)NC2=NC(C)=CS2)=C(SC2=CC=C(F)C=C2)C=C1
DB07360	FC(F)(F)C1=CC=CC(NC(=O)NC2=NC=C(CCNC3=NC=NC4=C3SC=C4)S2)=C1
DB07362	CN1N=CC2=C1C(NCCC1=CN=C(NC(=O)NC3=CC=CC(=C3)C(F)(F)F)S1)=NC=N2
DB07363	CC1=CC=C(CNS(=O)(=O)C2=CC=C(S2)S(N)(=O)=O)C=C1
DB07364	CCCCC1=C(NC2=NC=CN=C12)C1=CC=C(O)C=C1
DB07365	[H][C@](N)(CC1=CC=CC2=C1C=CC=C2)C(O)=O
DB07366	[H][C@]1(CCCN1C(=O)OCC1=CC=CC=C1)C(=O)NNCCCCN
DB07367	[H][C@]12CO\C(=N/CCCCCCCC)N1[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@@]2([H])O
DB07368	CS(=O)(=O)C1=CC=C(C=C1)C(N)=N
DB07369	CN(C1=CC(Cl)=CC=C1)S(=O)(=O)C1=CC2=C(CC3=C(C)C(C)=C(C)N3)C(=O)N=C2C=C1
DB07370	[H][C@]12CS\C(=N/CCCCCCCC)N1[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O
DB07371	CC1=C2C=CC=CC2=C(CCC(O)=O)C2=C1C=CC=C2
DB07373	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
DB07374	[H][C@]1(O)CN[C@]([H])(CC2=CC=C(OC)C=C2)[C@]1([H])OC(C)=O
DB07375	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C
DB07376	CN(C)C1=C2C=CC=C(C2=CC=C1)S(O)(=O)=O
DB07377	[H][C@@](N)(CCSC(C)C)[C@]([H])(O)C(=O)NNC(=O)C1=CC(Cl)=CC=C1
DB07378	[H][C@]1(N)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCCCC)[C@]1([H])O
DB07379	[H][C@](CO)(NC1=NC2=C(N=CN2C(C)C)C(NC2=CC(Cl)=CC(N)=C2)=N1)C(C)C
DB07380	[H][C@@](CC1=CC=CC=C1)(NC(C)=O)C(=O)C(F)(F)F
DB07381	CC(O)(C(O)=O)C1=CC=CC=C1
DB07382	C1CC1C1=NNC(NC2=CC=NC(NC3=CC4=C(NC=N4)C=C3)=N2)=C1
DB07383	[H][C@@](CC1=CC=CC=C1)(NC(C)=O)C(O)(O)C(F)(F)F
DB07384	[H][C@]1(CCCCN1C(C)=O)C(O)=O
DB07385	[H][C@@]1(C)C[N@@]1C1=CC(=O)C2=C(C(CO)=C(N2C)C2=CC=CC=C2)C1=O
DB07387	CCCCS(=O)(=O)CCC(O)=O
DB07388	CCOC(=O)N1CCC(CC1)NC1=NC=CC(C)=C1
DB07389	CC1=CC(N)=NC(CCNC(=O)C2=CC=C(C=C2)C#N)=C1
DB07390	CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)NC1=NNC(=S)S1
DB07391	[H][C@@](C)(N)C(=O)C1=NN=C(O1)C(C)(C)C
DB07392	CCNC1=NC(NC(C)C)=NC(Cl)=N1
DB07393	C1CCC2=C(P(C(=C2C1)C1=NC=CC=C1)C1=CC=CC=C1)C1=NC=CC=C1
DB07394	[H][C@]1(CC)O[C@]2(C)[C@]([H])(OC(C)=O)[C@@]1(C)O[C@@]([H])(\C=C\C=C\C=C\C1=C(C)C(OC)=CC(=O)O1)[C@]2([H])O
DB07395	OC(=O)C1=CC=C(NC(=O)NC(=O)C2=CC(F)=C(F)C=C2Cl)C(OC(F)(F)F)=C1
DB07396	OC(=O)C1CCN(CC1)C1=C(NC(=O)NC(=O)C2=CC(F)=C(F)C=C2Cl)C=C(F)C=C1
DB07397	[H][C@@]1(CC(N)=O)CCCC2=C1C1=C(S2)N=C(NC1=O)C(=O)NCC1=CC=C2OCC(=O)NC2=C1
DB07398	NC(=O)C1=C(NC(=O)C2CC2)SC2=C1CCCC2
DB07400	[H][C@](CC1=CC=CC=C1)(NC(=O)OCC)C(=O)N1CCC[C@@]1([H])C(=O)NNCCCCN
DB07401	CO\C=C(\C(=O)OC)C1=CC=CC=C1OC1=NC=NC(OC2=CC=CC=C2C#N)=C1
DB07402	[H][C@@]1(CC=C)C(=O)N2N(C1=O)C1=CC(C)=CC=C1N=C2N(C)C
DB07403	CN(C)C(=O)C1=CC=C(C=C1)S(=O)(=O)C1=CC=C(NC(=O)[C@@](C)(O)C(F)(F)F)C(Cl)=C1
DB07404	OC(CC1=CC=CC(=C1)C1=CC(=CC=C1)C1=CC=CC=C1)(P(O)(O)=O)P(O)(O)=O
DB07405	NC1=NC2(CCN(CC2)C(=O)C2=CC=C(N=C2)C#N)NC2=C(F)C=CC(F)=C12
DB07406	[H][C@]1(C)CNC(=O)C2=C1C1=CC(=CC=C1N2)C(=O)NC1=NC(=CS1)C(=O)NCCN(C)C
DB07407	COC1=C(C=CC=C1)C1=CC=C(O1)C(O)=O
DB07408	OC(=O)C1=CC=C(O1)C1=C(C=CC=C1)[N+]([O-])=O
DB07409	OC(CC1=CC=CC(=C1)C1=CC=C(C=C1)C1=CC=CC=C1)(P(O)(O)=O)P(O)(O)=O
DB07410	OC(CC1=CC(=CC=C1)C1=CC=CC2=C1OC1=C2C=CC=C1)(P(O)(O)=O)P(O)(O)=O
DB07411	[H][C@](N)(CC1=CC=CC=C1)B(O)O
DB07412	NCC1=C(C=CC=C1)C1=CC=CC=C1
DB07413	[H][C@]1(CSCCNCCCCCCCCCC)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O
DB07414	[H][C@@]1(C(C)C)N(CC2=CC=CC=C2)C(=O)C(=C1O)C1=NS(=O)(=O)C2=C1C=CC=C2
DB07415	[H][C@@](CC1=CC(=CC=C1OC)[N+]([O-])=O)(C1=CNC(N)=N1)C1=CC=C(OC)C(F)=C1
DB07416	[H][C@](CO)(COC(=O)CCCCCCCC)OC(=O)CCC
DB07418	OP(=O)(OC1=CC=C(C=C1)[N+]([O-])=O)OC1=CC=C(C=C1)[N+]([O-])=O
DB07419	C[C@](O)(COC1=CC=C(Cl)C(F)=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F
DB07420	[H][C@@](CCCC1=CC=CC(OC2=CC=CC=C2)=C1)(P(O)(O)=O)S(O)(=O)=O
DB07421	[H][C@](O)(NC1=CC(=C(C=C1)C#N)C(F)(F)F)[C@@](C)(O)COC1=CC=C(C=C1)[N+]([O-])=O
DB07422	C[C@](O)(COC1=C(F)C(F)=C(F)C(F)=C1F)C(=O)NC1=CC=C(C(=C1)C(F)(F)F)[N+]([O-])=O
DB07423	CC(=O)NC1=CC=C(OC[C@](C)(O)C(=O)NC2=CC(=C(C=C2)[N+]([O-])=O)C(F)(F)F)C=C1
DB07424	[K+].[K+].[K+].[O-]P([O-])(=O)[C@@H](CCCC1=CC=C(C=C1)C1=CC=CC=C1)S([O-])(=O)=O
DB07425	CC(C)C1=C(O)C=CC(CC2=C(C)C=C(OCC(O)=O)C=C2C)=C1
DB07426	OC(COC1=CC=CC(=C1)C1=CC=CC(=C1)C1=CC=CC=C1)(P(O)(O)=O)P(O)(O)=O
DB07427	COC1=C(OCC2=NC=CC=C2)C=C(C)C=C1
DB07428	COC1=CC(OCC2=CC=NC=C2)=C(C)C=C1
DB07429	CCN(CC)S(=O)(=O)C1=CC(=CC=C1Br)C(=O)NC1=CC=CC=C1C(O)=O
DB07430	[H][C@@]1(C)CNC2=C(SC3=C2C2=C(C=C3)N=C(C=C2)C2=CN=C(C)C=C2)C(=O)N1
DB07431	[H][C@@]1(CN)CNC2=C(SC3=C2C=C(OC)C=C3)C(=O)N1
DB07432	[H][C@]1(CO)O\C(=N/OC(=O)NC2=CC=CC=C2)[C@]([H])(NC(=O)CCC)[C@@]([H])(O)[C@]1([H])O
DB07433	[H][C@](C)(NC=O)NC(=O)[C@]([H])(C)NC(=O)OC(C)(C)C
DB07434	[H][C@@](C)(NC(=O)[C@]([H])(CC1=CC=CC=C1)C(=O)NO)C(=O)NCC(=O)NC1=CC=C(C=C1)[N+]([O-])=O
DB07435	[H][C@@]1(O)CC2=C3C=CC4=CC=CC5=CC=C(C=C2[C@@]([H])(O)[C@]1([H])O)C3=C45
DB07436	[H][C@](CC)(NC=O)C1=CC=CC=C1
DB07437	OCCOCN1C=C(CC2=CC=CC=C2)C(=O)NC1=O
DB07439	OCCOCN1C(=O)NC(=O)C(CC2=CC=CC(OCC3=CC=CC=C3)=C2)=C1O
DB07440	CC(C)(C)C1=CC=C(C=C1)S(O)(=O)=O
DB07441	CN1C2=CC=CC=C2C(C#N)(C(=O)NCCC(O)=O)C2=C1C=CC=C2
DB07443	C\C(O)=C(/C#N)C(=O)NC1=CC=C(C=C1)C1=CC=CC=C1
DB07444	CC1=CC2=C(C=C1)N(CCCN)C1=C2C2=C(C(=O)NC2=O)C(C)=C1
DB07445	OC1=C(Br)C=C(\C=N\NC(=O)C2=CN=CC=C2)C(O)=C1Br
DB07446	[H][C@](CC(C)C)(NS(=O)(=O)C1=CC=C(C=C1)C1=CC=CC=C1)C(O)=O
DB07447	[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
DB07448	[H][C@@](CC1=CC=CC=C1)(C[P@](O)(=O)[C@]([H])(N)CCC1=CC=CC=C1)C(O)=O
DB07449	C\C(N)=N/CCC[C@H](NC(=O)C1=CC=CC=C1)C(N)=O
DB07450	[H]N1C(=O)C[C@@]2(C1=O)C(=O)N(CC1=C(F)C=C(Br)C=C1)C(=O)C1=C2C=C(F)C=C1
DB07451	[H][C@@]1(C[C@@]1([H])C1=C(F)C=CC(C(=O)CC)=C1O)NC(=O)NC1=NC=C(Br)C=C1
DB07452	NC1=NC2=C(N1)C=C1C(=O)NC(N)=NC1=C2
DB07453	O=C1C=C(OC2=C1C=CC1=CC=CC=C21)C1=CC=CC=C1
DB07454	C[C@](O)(CBr)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F
DB07455	[H][C@](C)(CNS(C)(=O)=O)C1=CC=C(C=C1)C1=CC=C(C=C1)[C@@]([H])(C)CNS(C)(=O)=O
DB07456	[H]N1C=C(C2=CC=CC=C12)C1=C(C(=O)N([H])C1=O)C1=CN(CC[C@H]2CCCN2C)C2=CC=CC=C12
DB07457	NCCCN1C=C(C2=C1C=CC=C2)C1=C(C(=O)NC1=O)C1=CNC2=C1C=CC=C2
DB07458	[H]N1C=C(C2=CC=CC=C12)C1=C(C(=O)N([H])C1=O)C1=CN(CC[C@@H]2CCCN2C)C2=CC=CC=C12
DB07459	O=C(NCC1=NC=CC=C1)C1=CC=C(OC2=CC=CC=C2)C=C1
DB07460	CNC(=O)C1=C(NC2=NC(NC3=CC=C(C=C3OC)N3CCOCC3)=NC=C2Cl)C=CC=C1
DB07461	[H][C@]1(CCN2CC[C@@](N)(CC3=CC=CC=C3)C(=O)N12)C=O
DB07462	OC1=CC=C(C(=O)C2=CC=CC=C2)C(=C1O)[N+]([O-])=O
DB07463	[H][C@]1(O)CN(CC2=CNC3=C2N=CN=C3N)C[C@]1([H])CSCCCC
DB07464	[H][C@@](CC1=CC=CC(C(O)=O)=C1O)(NC(C)=O)B(O)O
DB07465	[H][C@@](N)(C(=O)N1[C@@]2([H])C[C@@]2([H])C[C@@]1([H])C#N)[C@]12C[C@@]3([H])C[C@]([H])(C[C@](O)(C3)C1)C2
DB07466	[H][C@@](CC1=CC=CC(=C1)C(O)=O)(NC(=O)CC1=CC=CC=C1)B(O)O
DB07467	[H][C@]1(C)CC2=CC=CC=C2N1NC(=O)C1=CC=C(Cl)C(=C1)S(N)(=O)=O
DB07468	CC1=C2C(=CC=C1)N=C1N(CC[C@@]1(O)C2=O)C1=CC=CC=C1
DB07469	CC1=CC=C2C(=C1)N=C1N(CC[C@@]1(O)C2=O)C1=CC=CC=C1
DB07470	O[C@@]12CCN(C1=NC1=C(C=CC=C1)C2=O)C1=CC=CC=C1
DB07471	[H][C@](C)(OC1=C(SC(=C1)N1C=NC2=CC(OC)=C(OC)C=C12)C(N)=O)C1=CC=CC=C1Cl
DB07472	CC1=CC(=CC=C1)[C@]12SCCN1C(=O)C1=CC=CC=C21
DB07473	COC(=O)[C@@H]1CS[C@]2(N1C(=O)C1=CC=CC=C21)C1=CC=CC=C1
DB07474	CC1=CC(=CC2=C1N=C(N2)C1=C(NCC2=NC=CC=C2)C=CNC1=O)N1C=CN=C1
DB07476	NS(=O)(=O)C1=CC=C(NC(=O)C2=CC=CC=C2S)C=C1
DB07477	OC(=O)CC1=CC=C(C=C1)C1=CC=CC=C1
DB07478	OC1=C(O)C=C(C=C1)C1=CC=CC=C1
DB07479	[H][C@@]1(O)CC2=C(C=CC3=C2C2=C(C=CC=C2)C=C3)[C@@]([H])(O)[C@]1([H])O
DB07480	OP(O)(=O)OC1=CC=C(CC2=CC=C(OP(O)(O)=O)C=C2)C=C1
DB07481	CC(C)(C)OC(=O)NCC1=CNC2=C1C(=O)NC(N)=N2
DB07482	[H][C@]1(CCCN1C(=O)[C@]1([H])CCCN1)B(O)O
DB07483	O[S@@](=O)C1=CC=CC=C1C1=CC=CC=C1
DB07484	[H][C@@](CC1=CC=CC=C1)(CC(O)(O)C[N+]([O-])=O)C(O)=O
DB07485	OC1=CC=C(C=C1)C1(CCCCC1)C1=CC=C(O)C=C1
DB07486	NC1=CC=CC(SC2=CC=C(\C=C\C(=O)N3CCOCC3)C(=C2C(F)(F)F)C(F)(F)F)=C1
DB07487	[H][C@@]1(C[P@@]([H])([O-])=O)CCC2=CC(C)=CC=C2O1
DB07488	COC1=CC=C(C=C1)\N=C1\NC(N)=C(S1)C(=O)C1=CC=C(OC)C=C1
DB07489	[H]N([H])C1=C(SC(N([H])C2=CC(Cl)=CC=C2)=[N+]1[H])C(=O)C1=CC=C(F)C=C1
DB07490	[H][C@@](C)(C1=CC=C(Cl)C=C1)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O
DB07491	NC1=C(Br)C(C(O)=O)=C(Br)C(C(O)=O)=C1Br
DB07492	[H][C@](CO)(NC(=O)C(Br)Br)[C@]([H])(O)C1=CC=C(C=C1)[N+]([O-])=O
DB07493	[H]N1C(=O)\C(C2=C1C=CC(Br)=C2)=C1/N([H])C2=CC=CC=C2C1=O
DB07494	[H][C@]12CC[C@]([H])(C[C@]([H])(C1)OC1C3=CC=CC=C3CCC3=C1C=CC=C3)[N+]2(C)C
DB07495	CCNC(=O)C1=NNC(=C1C1=CC=C(OC)C=C1)C1=CC(Cl)=C(O)C=C1O
DB07496	O=C(NC1=CC=CC=C1)NC1=CC=CC=C1
DB07497	[H][C@@]1(CCCCC=O)SC[C@]2([H])NC(=O)N[C@]12[H]
DB07498	OC(=O)CCCC1=NC(=NO1)C1=CC(=CC=C1)[N+]([O-])=O
DB07499	NC(N)=NCCCCNC(=O)C1=CSC(=N1)C1=CSC=N1
DB07500	COC1=CC(O)=C(C=C1CC=C(C)C)C(=O)\C=C\C1=CC=C(O)C=C1
DB07501	[H]N(C1=CC=C(OC[C@@H](O)CN(C)C)C=C1)C1=NC=C(Br)C(=N1)N([H])C1=CC=CC=C1
DB07502	OC1=CC2=C(C=C1)C(=NO2)C1=CC(Br)=C(O)C=C1O
DB07503	FC1(F)OC2=C(O1)C=C(\C=C1/SC(=O)NC1=O)C=C2
DB07504	[H]N(C1=CC=C(OC[C@H](O)CN(C)C)C=C1)C1=NC=C(Br)C(=N1)N([H])C1=CC=CC=C1
DB07505	[H][C@]1(COCC2=CC=CC=C2)CNC[C@]1([H])CN(CC(C)C)S(=O)(=O)C1=CC=CC=C1
DB07506	[H][C@](CC(O)=O)(CC1=CC=CC=C1)C(O)=O
DB07507	CC1=C2C(=O)N(C(=O)C2=CC=C1)C1=CC(=CC=C1O)C1=CC=CC=C1
DB07508	CN1C(CC2=CC=C(C=C2)C(N)=N)=NC2=C1C=CC(NS(=O)(=O)C1=CC=CC=C1)=C2
DB07509	CCCCCCCCC1=CC=C2C=C3C=CC(CCCCC(O)=O)=[N+]3[B-](F)(F)N12
DB07510	OC(=O)C(\O)=C(\F)/C=C/C(=O)C1=CC=C(F)C=C1
DB07511	CC1=C2C(=O)N(C(=O)C2=CC=C1)C1=CC=C(C=C1)C#N
DB07512	ClC1=CC=CC(COC2=CC=C3C(OC(=O)C=C3C=O)=C2)=C1
DB07513	CNCC1=CC(=O)OC2=C1C=CC(OCC1=CC=CC(Cl)=C1)=C2
DB07514	CC1=C(C(=O)N(C=C1)C1=CC=C2C(NCC2(C)C)=C1)C1=CC2=CN=C(N)N=C2C=C1
DB07515	CC1N[C@@H](N)CCC1CNCCN1C(O)C(NCC(F)(F)C2=CC=CC=N2)=NC=C1Cl
DB07516	OC(=O)C(\O)=C(\Cl)/C=C/C(=O)C1=CC=CC=C1
DB07517	CCCC1=C(C)C(C(O)=O)=C(CCC(O)=O)O1
DB07518	[H][C@@](CC)(CCCC)COS(O)(=O)=O
DB07519	COC1=CC(=CC=C1)C1=CC(CC[C@]2(C)CC(=O)N(C)C(N)=N2)=CC=C1
DB07520	[H][C@@](CS(=O)(=O)N1CCOCC1)(N[C@@]([H])(C1=CC=C(F)C=C1)C(F)(F)F)C(=O)NC1(CN)CC1
DB07521	[H][C@]1(CC\N=C2/NC[C@]([H])(Cl)N(CCNCC3=CSC4=CC=C(Cl)C=C34)C2O)CCCCN1
DB07522	[H][C@](N)(CC1=CC=CC=C1)[C@]([H])(O)CNS(=O)(=O)C1=CC=C2C=CC=CC2=C1
DB07524	N(C1=CNC2=NC=CC=C12)C1=CC=CC=C1
DB07525	COC1=CC=CC(CC2=CNC3=C2C=CC=N3)=C1
DB07526	CN(C)C1=C2C=CC=C(C2=CC=C1)S(=O)(=O)NCCCCNC(=O)CCS
DB07527	[H][C@](N)(CC1=CC=CC=C1)[C@]([H])(O)CNS(=O)(=O)C1=C(C)C=C(OC)C(C)=C1C
DB07528	CC1=C(C2=CC3=C(C=C2)N=C(N)N=C3)C(=O)N(C=C1)C1=CC(=CC=C1)C(F)(F)F
DB07529	N=C1NC(=O)\C(S1)=C/C1=CC=CC=N1
DB07530	[H][C@]1(CC[C@](C)(CCC#CC(O)(C(F)(F)F)C(F)(F)F)C1(C)C)\C=C\C=C1C[C@](O)([H])C[C@@](O)([H])C1
DB07531	NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=C1/SC(=O)NC1=O
DB07533	CNS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=C1/SC(=N)NC1=O
DB07534	NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=C1/SC(=N)NC1=O
DB07535	NC1=NC(CCC2=CC3=C(C=CN3)C=C2)=CC(=O)N1
DB07536	[H][C@](C)(O)[C@]([H])(NC(=O)C1=CC=C(C=C1)C#CC1=CC=C(CN2CCOCC2)C=C1)C(=O)NO
DB07537	CC1=CC=C(C=C1C(=O)NC1=CN=C(N)C=C1)C(=O)NCCC1CCCC1
DB07538	NS(=O)(=O)C1=CC=C(C=C1C(F)(F)F)C1=CC=C(O1)\C=C1/SC(=N)NC1=O
DB07539	OC(=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=C1/SC(=N)NC1=O
DB07540	C\C(C1=CC=C(O1)C1=CC=C(C=C1)S(N)(=O)=O)=C1\SC(=N)NC1=O
DB07541	OB(O)C1=CC(NS(=O)(=O)C2=CC(=CS2)S(=O)(=O)C2=CC=CC=C2)=C(C=C1)C(O)=O
DB07542	[H][C@](N)(CC1CCCCC1)[C@@]([H])(O)C[C@@]([H])(CC(C)C)C(O)=O
DB07543	[H][C@](O)(CNC(C)C)COC1=CC=CC2=C1C1=C(N2)C=CC=C1
DB07544	FC(F)(F)C1=CC=CC=C1S(=O)(=O)NNC(=O)C1=CC2=CC(Cl)=CC=C2O1
DB07545	FC(F)(F)C1=CC=CC(NC2=NC(NC3=CC(NC(=O)C4CC4)=CC=C3)=NC=C2)=C1
DB07546	CC(C)NC1=CC2=C(C=NN2C2=NC(=CN=C2)N2C=CC(CC(O)=O)=C2)C=C1
DB07547	CC1=CC=CC=C1S(=O)(=O)NC1=C(SC(=C1)C1=CC=C(C=C1)C#N)C(O)=O
DB07548	CC1=CN=C(NCC(F)(F)C2=CC=CC=N2)C(=O)N1CC(=O)NCC1=C(F)C=CC=N1
DB07549	CC1=C[NH+]=C(NCC(F)(F)C2=[NH+]C=CC=C2)C(=O)N1CC(=O)NCC1=C(F)C(C)=CC=N1
DB07550	[O-][N+]1=CC=CC=C1C(F)(F)CNC1=NC=C(Cl)N(CC(=O)NCC2=C(F)C=CC=C2)C1=O
DB07551	CCNC1=NC(Cl)=NC(NC(C)(CC)C#N)=N1
DB07552	CCNC1=NC(Cl)=NC(NC(C)(CC)C#N)=N1
DB07553	FC(F)(F)C(=O)CCCCCCC(=O)NC1=CC=CC=C1
DB07555	[H][C@](OCC[As+](C)(C)C)(C1=CC=CC=C1[N+](O)=O)C(F)(F)F
DB07556	[H][C@](C(C)C)(N(CC1=CC=CN=C1)S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)NO
DB07557	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)=O
DB07558	[H]C(=O)[C@H](CCCC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O
DB07559	C\C(O)=C(/C#N)C(=O)NC1=CC(Cl)=C(C=C1)C1=CC=CC=C1Cl
DB07560	[H][C@](NC(=O)C1CCCCC1)(C(C)C)C(=O)NC1=CC=NC=C1
DB07561	CCOC1=CC(=CC=C1)C1=CC=C(NC(=O)C(\C#N)=C(\C)O)C=C1
DB07562	CN(C)C1=CC=C(NC2=NC(=CC=N2)C2=C(C)N=C(C)S2)C=C1
DB07563	CN1CCN(CC1)C1=CC=C(CC2=CC3=CN=C(CN)N=C3N2C2CCCCC2)C=C1
DB07564	NC1=NC2=C(C=C3N=C(NCCN4CCOCC4)NC3=C2)C(=O)N1
DB07565	O[C@@H]([C@@H](COC(=O)CCC(O)=O)NC(=O)C(Cl)Cl)C1=CC=C(C=C1)[N+]([O-])=O
DB07567	[H][C@@]1(C)C2=CC(O)=CC=C2O[C@@]([H])(C2=CC=C(OCCN3CCCC3)C=C2)[C@@]1([H])C1=CC=C(O)C=C1
DB07568	[H][C@@](NS(=O)(=O)C1=CC=CC2=NSN=C12)(C(=O)NC1=CC=NC=C1)C1=CC=CC=C1
DB07569	[H][C@@](CCSC)(NC(=O)[C@]1([H])CC[C@]([H])(C)CC1)C(=O)NC1=CC=NC=C1
DB07570	OC(=O)C1=CC=C2C(=C1)N(CC(=O)N1CCOCC1)C(=C2C1CCCCC1)C1=CC=CC=C1
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DB07572	CC1=CC=C(C=C1)S(=O)(=O)NCCCOC(=O)NC1=CC=NC=C1
DB07573	[H][C@@](O)(COC1=C(C)C=CC(C)=C1)CN1CCOCC1
DB07574	[H][C@@]1(CCC2=C(C(OC)=C(OC)C(OC)=C2)C2=CC=C(OC)C(=O)C=C12)NC(=O)CS
DB07575	[H][C@](N)(CC1=CC=CC=C1)C(O)[C@@]([H])(N)CC1=CC=CC=C1
DB07577	CCC1=NC(N)=NC(N)=C1C1=CC=CC=C1
DB07578	CC1=NC2=C(C=CN=C2)N1C1=CC=C(CN2C(=O)SC3=C2C=CC=C3)C=C1
DB07579	CC1(OCC(CO1)OC(=O)NCCNC(=O)OC1COC(C)(OC1)C(O)=O)C(O)=O
DB07580	[H][C@@]1(CO[C@](C)(OC1)C(O)=O)OC(=O)N1CCN(CC1)C(=O)O[C@@]1([H])CO[C@](C)(OC1)C(O)=O
DB07581	[H][C@](N)(CC1CCCCC1)[C@@]([H])(O)C[C@@]([H])(C(C)C)C(O)=O
DB07582	[H][C@](NC(=O)NC1CCCC1)(C(C)C)C(=O)N1CC[C@]([H])(NC(=O)C2CC2)[C@@]1([H])C1(CCC1)C=O
DB07583	[H][C@@]1(CNS(=O)(=O)C2=CC=CC3=CN=CC=C23)C[C@]([H])(CN1)OCC1=CC=C(Cl)C=C1
DB07584	CC1=NN=C(N1)C1=CC=CC=C1NC1=NC=NC2=C1C=CN2
DB07585	ClC1=CNC2=C1C(=NC=N2)N1CCC2=C(C1)N=CN2
DB07586	CN(C)C(=O)C1=CC(=CC(NC(=O)C2=CC=C(C)C=C2)=C1)C1=CC=C(C=C1)C(=O)NO
DB07587	[H][C@@](CS(=O)(=O)C[C@]1([H])CCC(=O)N1)(N[C@@]([H])(C1=CC=C(F)C=C1)C(F)(F)F)C(=O)NC1(CC1)C#N
DB07588	OC(=O)C1=C(C2=CNC3=CC=CC=C23)C(=C(N1)C(O)=O)C1=CNC2=C1C=CC=C2
DB07589	[H][C@@](CS(=O)(=O)CC1=CC=CC=C1)(N[C@@]([H])(C1=CC=C(O)C=C1)C(F)(F)F)C(=O)NC1(CN)CC1
DB07590	[H][C@](N)(CSCCC(=O)C1=CC=C(Cl)C(Cl)=C1)C(O)=O
DB07591	O=C(NC1CCCC1)C(=O)NC1=NC=CS1
DB07592	[H][C@@](CCCC)(NC(=O)O[C@]([H])(CC1=CC=CC=C1)C(C)C)C=O
DB07593	[H][C@@](CCCC)(NC(=O)OC1(CC2=CC=CC=C2)CCCC1)C=O
DB07594	CCC1=C(O)C=C(O)C(=C1)C1=C(C(C)=NN1)C1=CC=C2OCCOC2=C1
DB07595	BrC1=CC=CC(=C1)C1=NC2=[N+](NC=C2)C(NCC2=CC=NC=C2)=C1
DB07596	[H][C@]1(CC#N)CC[C@@]2([H])[C@]3([H])CCC4=CC(OS(N)(=O)=O)=C(OC)C=C4[C@@]3([H])CC[C@]12C
DB07597	[H][C@]1(N)CCC2=CC=CC=C2[C@@]1([H])O
DB07598	[H][C@@]12CCCN1C(=O)C1=C(O2)C=C2OCCOC2=C1
DB07599	CO\N=C(/C(=O)NCB(O)O)C1=CSC(N)=N1
DB07601	OC1=CC(O)=C(Cl)C=C1C1=NOC2=C1C=C(NCCN1CCOCC1)C=C2
DB07602	[H][C@](N)(CSCCC(=O)NC1=CC2=C(C=C1)N=CN=C2NC1=CC=CC=C1)C(O)=O
DB07604	[H][C@@]12CC3=C4C(NC=C4[C@]1([H])[C@]1([H])N(C(O)=C(C(C)=O)C1=O)C2(C)C)=CC=C3
DB07605	[O-][N+]1=CC=CC2=C1C=C(S2)C(=O)N1CCN(CC1)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2N1
DB07606	CCC1=NN(C2=C1C(=O)NC(CC1=CC(O)=C(O)C=C1)=N2)C1=C(Cl)C=C(Cl)C=C1Cl
DB07607	C[S@@](=O)C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC(I)=CC=C1)C1=CC=NC=C1
DB07608	[H][C@@](CCN)(C(=O)NC1=CC=C2NN=C(NC(=O)C3=CC=CC=C3)C2=C1)C1=CC(Cl)=CC=C1
DB07609	CN(C)CC1=CC=C(O1)C1=CC=CN=C1
DB07610	OC1=CC=C2C=CC=CC2=C1O
DB07611	CCCCCCCCCCS
DB07612	CC(C)(C)NC1=NC(=NC2=C1C=C(C=C2)C1=CC=CC(N)=C1)C(F)(F)F
DB07613	N1C=CC(=N1)C1=CC(=NO1)C1=CC=CC=C1
DB07614	N1C=CC(=N1)C1=CN=C(S1)C1=CC=CC=C1
DB07615	COC1=CC=C(\C=C\C(=O)NC2=CC=CC=C2C(O)=O)C=C1OC
DB07616	CC1=CC(=CC=C1F)C1=CSC(NC2=CC=C(C(O)=O)C(O)=C2)=N1
DB07617	CNCC1=CC=C(O1)C1=CC=CN=C1
DB07618	NCC1CCN(CC(=O)NC2=CC=CC3=C2C(=O)C2=C(NN=C32)C2CCCCC2)CC1
DB07619	[H][C@@]1(CC[C@@]([H])(CC1)C1=CC=CN=C1)N(C1CC1)C(=O)C1=CC=C(C=C1)[C@](C)(O)C(F)(F)F
DB07620	CC1=CC(=C(Cl)C=C1Cl)S(=O)(=O)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O
DB07621	NCC1=CC=C(O1)C1=CC=CN=C1
DB07622	CN1CCN(CC1)NC(=O)NC1=CC=CC2=C1C(=O)C1=C(NN=C21)C1=C(C)N=C(C)S1
DB07623	S(SC1=CC=NC=C1)C1=CC=NC=C1
DB07624	[H][C@@]1(C)CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)C1=CC=C(C=C1)[C@](C)(O)C(F)(F)F
DB07625	CCOC1=CC=C(OCC)C(NC(=O)C2=CC(C)=C(OCCN)C(C)=C2)=C1
DB07626	CCOC1=C(NC(=O)C2=CC(C)=C(OCCN)C(C)=C2)C=C(C=C1Cl)N1CCCCC1
DB07627	[H][C@@](CC(C)C)(NC(=S)NC1=CC=CC=C1)C(=O)N[C@]1([H])CO[C@]([H])(O)C1
DB07628	CN1C2=C(SC(C)=C2)C2=C1C(=O)N(CC1=CC=CC=C1F)N=C2
DB07629	[H][C@@]1(CCCC[C@@]1([H])NC(=O)C1=NC2=C(CN(C)CC2)S1)NC(=O)C1=CC2=C(N1)C=CC(Cl)=C2
DB07630	[H][C@]1(CCCC[C@@]1([H])NC(=O)C1=NC2=C(CN(C)CC2)S1)NC(=O)C1=CC2=C(N1)C=CC(Cl)=C2
DB07631	CCCCCCCCCCCC[N+](C)(C)CC([O-])=O
DB07632	NS(=O)(=O)C1=NN=C(S1)C1=CC=CC=C1Cl
DB07633	[H][C@@]1(O)C[C@@]([H])(O[C@]2([H])O[C@@]([H])(C)[C@@]([H])(O)[C@@]([H])(O)[C@]2([H])O)[C@]([H])(OCCCCCCCC)O[C@]1([H])CO
DB07634	CC1=CC=CC(C)=C1OCC(O)=O
DB07635	OC1=CC=C(C=C1)C(=O)C1=CC=C(O)C=C1
DB07636	CCCCCCCC1=C(O)C2=C(SC=N2)C(=O)C1=O
DB07637	[H][C@](N)(CC1=CC(Br)=C(O)C(Br)=C1)C(O)=O
DB07638	[H][C@@]12CC(F)(F)C[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1)C1=CC=C(O)C=C1
DB07639	CCOC(=O)C(CC1=CC2=C(C=C1)C=CC(=C2)C(N)N)C1=CC=C(OC2CCNC2)C=C1
DB07640	CCCCCCCCCCC1=C(C)C(=O)C(OC)=C(OC)C1=O
DB07641	CCCCCCCCCCP(C)(C)=O
DB07642	NC1=NC2=CC=CC(OCC3CCN(CC4=CC=CC=C4F)CC3)=C2C(N)=N1
DB07643	NC1=NC2=C(C(N)=N1)C(OCC1CCN(CC3=C(Cl)C(Cl)=CC=C3)CC1)=CC=C2
DB07644	[H][C@@](C)(OC1=C2C(N)=NC(N)=NC2=CC=C1)C1=CC(Cl)=CC=C1
DB07645	OC(=O)CCCCCCCCC(O)=O
DB07646	CCCCCCCCCCC[N+](C)(C)[O-]
DB07647	[H][C@](C)(O)CNC1=C2C(NC(=C2C2=CC=CC=C2)C2=CC=CC=C2)=NC=N1
DB07648	[H][C@](O)(CO)CNC1=C2C(NC(=C2C2=CC=CC=C2)C2=CC=CC=C2)=NC=N1
DB07649	[H][C@]1(O)CN(CC2=CNC3=C2N=CN=C3N)C[C@]1([H])CSCC1=CC=CC=C1
DB07650	CCCCCCCCCCOC=O
DB07651	[H][C@@](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(C)=O)C(N)=O
DB07652	[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)C1=CC(C)=C(F)C=C1F
DB07653	OC(=O)CNC1=NC=NC2=C1C(=C(O2)C1=CC=CC=C1)C1=CC=CC=C1
DB07654	CN(CCO)C1=NC=NC2=C1C(=C(O2)C1=CC=CC=C1)C1=CC=CC=C1
DB07655	OCCNC1=NC=NC2=C1C(=C(N2)C1=CC=CC=C1)C1=CC=CC=C1
DB07657	[H][C@@](CCCC)(CO[P@](O)(=O)OCCO)NC(=O)CCCCCCCCCCC
DB07658	[H][C@@](CCCCN)(NC(=O)[C@]1([H])CCCN1C(=O)[C@@]([H])(CC1=CC=CC=C1)NC(C)=O)B(O)O
DB07659	[H][C@@](CCCCCN)(NC(=O)[C@]1([H])CCCN1C(=O)[C@@]([H])(CC1=CC=CC=C1)NC(C)=O)B(O)O
DB07660	[H][C@@](CCCN)(NC(=O)[C@]1([H])CCCN1C(=O)[C@@]([H])(CC1=CC=CC=C1)NC(C)=O)B(O)O
DB07661	OC1=CC=C2C(O)=CC=CC2=C1
DB07662	BrC1=CC=CC(NC2=C3C=C(NC(=O)C=C)C=CC3=NC=N2)=C1
DB07663	[H][C@](CC1=CC=C(O)C=C1)(N1C(=O)C2=C(C=C(C=C2)C(O)=O)C1=O)C(O)=O
DB07664	NC1=NC(NC2=CC=C(C=C2)S(N)(=O)=O)=NN1C(=S)NC1=C(F)C=CC=C1F
DB07665	[H]N([H])C(=NOCCN([H])C(=O)CC1=C(C=CC(N([H])CC(F)(F)C2=CC=CC=N2)=C1F)C#N)N([H])[H]
DB07666	[H][C@]1(N)CN(C[C@]1([H])C1=CC(F)=C(F)C=C1F)C1=CC(=NC=N1)C1=CC(=CC=C1)S(C)(=O)=O
DB07667	CC1=CC(=CC(C)=C1O)\N=N\C1=CC=CC=C1C(O)=O
DB07668	CCN(CC)C1=CC(O)=C(\C=C(/C)C(O)=O)C=C1
DB07669	CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O
DB07670	CN(C1=CC=NN1C1=CC=CC=C1)S(=O)(=O)C1=CC=C(C)C=C1
DB07671	CCCCCC(C)C1=C(O)C(=CC(=C1)N(=O)=O)N(=O)=O
DB07672	[H][C@@]1(CC[N@@+](C)([O-])CC1)[Si](C)(C)C1=CC=CC=C1
DB07673	[H][C@](C)(CC1=CC=CC=C1)C(O)=O
DB07674	CCOP(O)(=S)OCC
DB07675	[H][C@@](CC1=CC=C(OCCN2C3=C(OC4=C2C=CC=C4)C=CC=C3)C=C1)(OCC)C(O)=O
DB07676	OC[C@@H](O)CCONC1=C(NC2=CC=CC=C12)C1=C2C=CC=CC2=NC1=O
DB07677	CC1=NC2=C(CSCC2)C(=O)N1
DB07678	[H]\C(CC)=C(/[H])C1=C(O)C=C2CC[C@@]3([H])[C@]4([H])CC[C@]([H])(O)[C@@]4(C)CC[C@]3([H])C2=C1
DB07679	[H][C@]1(CC2=CC=C(OCCCCC(=O)N[C@@]([H])(C(C)C)C(=O)N1)C=C2)C(O)=O
DB07680	[H][C@@](C(=O)NC1=CC=C2C=CC=CC2=C1)(C1=CSC2=C1C=C(Cl)C=C2)P(O)(O)=O
DB07681	CCCCCCCCCCCCS([O-])(=O)=O
DB07683	[H][C@](NS(=O)(=O)C1=CC2=C(C=C1)C1=CC=CC=C1S2)(C(C)C)C(O)=O
DB07684	CN(C)C1=C2C=CC(=CC2=CC=C1)S(O)(=O)=O
DB07685	NS(=O)(=O)C1=CC=C(NC2=CC(OCC3CCCCC3)=NC3=NC=NN23)C=C1
DB07686	NS(=O)(=O)C1=CC=C(NC2=CC(NC3CCCCC3)=NC3=NC=NN23)C=C1
DB07687	[H][C@]1(N)CC[C@@]([H])(CC1)NC1=NC2=NC=NN2C(NC2=CC=C(C=C2)S(N)(=O)=O)=C1
DB07688	NS(=O)(=O)C1=CC=C(NC2=CC(OC3CCCCC3)=NC3=NC=NN23)C=C1
DB07689	COC(=O)C1CCN(CC1)C(=O)C1=CC=C(NCC2=NC3=C(N=C2)N=C(N)N=C3N)C=C1
DB07691	OC(=O)C1=C(NC(=O)C2=CC=CC(=C2)S(=O)(=O)N2CCC3=CC=CC=C3C2)C=CC=C1
DB07692	FC1=CC=CC(F)=C1S(=O)(=O)N1CCN(CC1)S(=O)(=O)C1=CC=C2OCCOC2=C1
DB07693	CC1=CC=CC(C)=C1C(=O)NC1=CC(Br)=C(O)C(Br)=C1
DB07694	OC1=C(Br)C=C(NC(=O)C2=CC(Cl)=CC=C2Cl)C=C1Br
DB07695	CC1=CC(=CC(C)=C1O)C(=O)NC1=CC(Br)=C(O)C(Br)=C1
DB07696	[H][C@@](CC(=O)OC)(NC(=O)OC(C)(C)C)C(C)=O
DB07697	COC1=CC=C(C=C1)S(=O)(=O)N1CCN(CC1)S(=O)(=O)C1=CC=C2OCCOC2=C1
DB07698	NC1=CC=CC(=C1)C1=C2N=C(NC3=CC=CC(Cl)=C3)C=CN2N=C1
DB07700	[H][C@@]12CC[C@@]3(CCC(C)(C)C(=O)O3)[C@@]1(C)CC[C@]1([H])C3=CC=C(C=C3CC[C@@]21[H])C(N)=O
DB07701	[H][C@@]1(CC2CCN(CC3=CC=CC=C3)CC2)CC2=CC(OC)=C(OC)C=C2C1=O
DB07702	[H][C@@]12C[C@@H](O)[C@@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3
DB07703	[H][C@@]1(C)C[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C(=O)O[C@]([H])(CC)[C@]([H])(C)\C=C\C1=O
DB07704	COC1=CC=C(CCC2=C3N=CNC3=CC3=C2N=C(N)NC3=O)C=C1
DB07705	[H][C@](CN1C=CN=C1)(OCC1=CC=C(Cl)C=C1)C1=C(Cl)C=C(Cl)C=C1
DB07706	[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=C(C=C(O)C(O)=C4)[C@@]3([H])CC[C@]12C
DB07707	[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])[C@@]([H])(COC)C[C@]12C
DB07708	OC1=CC=C(C=C1)N1N=C2C=CC(O)=CC2=C1Cl
DB07710	[H][C@](N)(CC1=CC=CC=C1)C(=O)NCCOCCOCCNC(=O)C1=CC=C(C=C1)S(N)(=O)=O
DB07711	[H][C@@](C)(O)[C@@]([H])(CCCCCC)N1C=NC2=C(N)N=CN=C12
DB07712	CCC1=C2C=C(O)C=CC2=NN1C1=CC=C(O)C=C1
DB07713	COC1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@H](C(C)C)P(O)(O)=O
DB07714	CC1=C(CCCCCC(O)=O)C(=O)C2=CC=CC=C2C1=O
DB07715	CC1=CC(O)=C2C(=O)C3=C(C=C(O)C=C3O)C(=O)C2=C1
DB07716	[H][C@@]12C[C@]3([H])O[C@]4([H])C\C=C/[C@]([H])(O)[C@@]([H])(CO)O[C@@]4([H])C=C[C@@]3([H])O[C@@]1([H])[C@]([H])(O)[C@@]1([H])OCC=CC[C@]1([H])O2
DB07717	[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12CCOCC1=CC(F)=CC(F)=C1
DB07718	OC(=O)C(=O)CC1=CC=C(O)C=C1
DB07719	[H]N(C)C(=O)[C@H]1CC2=C(CN1C(=O)OC(C)(C)C)C=C(C=C2)N([H])S(O)(=O)=O
DB07720	[H][C@@]12CC[C@@]([H])(N1)[C@]([H])(C2)C1=CC=C(Cl)N=C1
DB07721	CCOP(=O)(OCC)OC1=CC=C(OC)C=C1
DB07722	OCCCOC1=CC=C(C=C1)[N+]([O-])=O
DB07723	COC1=CC=C2NC=C(CCC(O)=O)C2=C1
DB07724	COC1=CC=C(C=C1)S(=O)(=O)N1C=C(CCC(O)=O)C2=CC(OC)=CC=C12
DB07726	CC(C)(C)C1=CC(O)=CC=C1O
DB07728	FC1=C(C=CC=C1)C1=CC(=CC=N1)C1=CC2=C(CCNC2=O)N1
DB07729	FC1=CC(=CC=C1)C(=O)NC1=CC=CC(=C1)C1=NN=NN1
DB07730	OC1=CC(=CC=C1)C1=CC(=O)NS1(=O)=O
DB07731	NC1=C(\N=N\C2=CC=C(O)C=C2)C(N)=NN1
DB07732	OP(O)(=O)OCCNS(=O)(=O)C1=CC2=C(C=CC=C2)C=C1
DB07733	CN1N=C(C2=C1SC(=C2)C(=O)NCCS)C(F)(F)F
DB07734	SCCCC(=O)NC1CCN(CC2=CC=CC=C2)CC1
DB07735	COC1=CC=CC(OC)=C1CN1CCC(CC1)NC(=O)CCCS
DB07736	[H][C@]1(CN(CC2=CC=C(F)C=C2)CCN1)C(=O)NCCS
DB07737	[H][C@]1(CN(CC2=CC=C(F)C=C2)CCN1)C(=O)NCCCS
DB07738	COC1=C(OC)C(CN2CCC(CC2)NC(=O)CCCS)=CC(Br)=C1
DB07739	[H][C@]1(CF)CC2=CC=C(C=C2CN1)S(=O)(=O)N1CCSCC1
DB07740	[H]C(C(O)=O)=C(C)C(\[H])=C(/C)C[C@]([H])(C)CCCC[C@@]([H])(O)[C@@]([H])(CO)C=O
DB07741	[H][C@@]12CCC[N@@]1[C@@]([H])(C1=CC=C(C=C1)C(N)N)[C@@]1([H])C(=O)N(CC3=CC=C(F)C=C3)[C@]([H])(C(F)F)[C@@]21[H]
DB07742	NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=CC=CC(F)=C1F
DB07743	FC(F)(F)C1=NN=C(N1)SC(=O)C1=CC=C(O1)C#CC1=CC=CC=C1
DB07744	CC(C)[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CF
DB07745	OP(O)(=O)OCCNC(=O)C1=CC=C(OC(F)(F)F)C=C1
DB07746	CCC1=CC=C(NS(=O)(=O)C2=CC=C(F)C=C2)C(C(O)=O)=C1C
DB07747	[H][C@]1(CO)CC2=CC=C(C=C2CN1)S(=O)(=O)NC1=CC=C(Cl)C=C1
DB07748	OP(O)(=O)OCCNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1
DB07749	[H][C@@](CC1=CC=CC=C1)(NC(=O)[C@]([H])(CC(C)C)NC(C)=O)C=O
DB07750	[H]N(C1=CC=C(OC[C@H](O)CN(C)C)C=C1)C1=NC=CC(=N1)N([H])C1=C(Cl)C=CC(Cl)=C1
DB07751	[H]N(C1=CC=C(OC[C@@H](O)CN(C)C)C=C1)C1=CC(=NC=N1)N([H])C1=C(F)C=CC=C1F
DB07753	OC(=O)C1=CC=C(C=C1)C1=CC(F)=CC(F)=C1
DB07754	[H][C@@](CCC(O)=O)(NC(=O)N[C@@]([H])(CSCC1=CC=C(F)C=C1)C(O)=O)C(O)=O
DB07755	[H]N(C1=CC=C(OC[C@@H](O)CN(C)C)C=C1)C1=NC=CC(=N1)N([H])C1=C(Cl)C=CC(Cl)=C1
DB07756	CC1=C(CSCC2=CC(=CC=C2)C(O)(O)C(F)(F)F)C(N)=C2C(F)=CC=CC2=N1
DB07757	CCCC[C@]12CC3=CC(O)=CC=C3C1=C(Br)C(=O)CC2
DB07758	OC(=O)C1=CC=C(O1)C1=CC(Cl)=CC=C1Cl
DB07759	OC(=O)C1=CC=C(O1)C1=CC=CC=C1C(F)(F)F
DB07760	OC(=O)C1=CC=CC(\C=N\OCCO\N=C\C2=CC(=O)NC(=O)N2)=C1
DB07761	[H]N(C1=CC=C(OC[C@H](O)CN(C)C)C=C1)C1=CC(=NC=N1)N([H])C1=C(F)C=CC=C1F
DB07762	CCC(CC)C(=O)NC1=CC(=CC=C1NC(C)=O)C(O)=O
DB07763	C[C@]1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(F)C=C1F
DB07764	OC(=O)C1=CC=CC=C1C1C2=CC=C(O)C=C2OC2=C1C=CC(O)=C2
DB07765	COC(=O)C1CCN(CC1)C(=O)C1=CC=C(C=C1)N(C)CC1=NC2=C(N)N=C(N)N=C2N=C1
DB07766	[H]N1C(=O)\C(C2=C1C=CC=C2)=C1/N([H])C2=CC=CC=C2/C/1=N\OCC[C@@]([H])(O)CO
DB07767	COC1=CC(\C=C\C(O)=O)=CC=C1O
DB07768	[H][C@@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
DB07769	C[C@](O)(COC1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F
DB07770	CC1=CC=C(C=C1)S(=O)(=O)NC1=C(SC(=C1)C1=CC=C(F)C=C1)C(O)=O
DB07771	CC(C)=CCC\C(C)=C\CC\C(C)=C\CONC(=O)CP(O)(O)=O
DB07772	COC1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O
DB07773	OP(O)(=O)OCCCC1=CNC2=C1C=C(F)C=C2
DB07775	OC1=CC(O)=C2C(=O)\C(OC2=C1)=C\C1=C(O)C(Br)=C(O)C(Br)=C1
DB07776	O=C1C=C(OC2=CC=CC=C12)C1=CC=CC=C1
DB07778	C[C@]1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(OC2=CC=CC=C2)C=C1
DB07779	[H][C@](N)(CC(=O)N1CCC[C@@]1([H])CNC(=O)C1=CC=CC=C1)CC1=C(F)C=CC=C1
DB07780	CC(C)=CCC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O
DB07781	CCOC1=C(F)C(CCNC(=S)NC2=NC=C(C=C2)C#N)=NC=C1
DB07782	NC1=NC(=NC=C1CO[P@@](O)(=O)OP(O)(O)=O)C(F)(F)F
DB07783	[H][C@](CO)(CCN1C=CC2=C1C=C(NC(=O)CCC1=CC=CC=C1)C=C2)N1C=NC(=C1)C(N)=O
DB07784	[H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(CC[C@@]2([H])CC1)NC(=O)OCC(O)=O)C1=CC=C(NC(C)=O)C=C1
DB07785	[H][C@@](C)(O)[C@@]([H])(CCOC1=CC2=C(C=CC=C2)C=C1)N1C=NC(=C1)C(N)=O
DB07786	[H][C@@](C)(O)[C@]([H])(CCC1=CC=CC2=C1OC(=N2)C1=CC=C(Cl)C=C1)N1C=NC(=C1)C(N)=O
DB07787	FC1=C2C(=O)NC(=O)N(CCCCN3CCC(=CC3)C3=CC=CC=C3)C2=CC=C1
DB07788	[H]\C1=C([H])/C2=CC(OC)=CC(O)=C2C(=O)O[C@]([H])(C)C\C([H])=C([H])/C(=O)[C@@]([H])(O)[C@@]([H])(O)C1
DB07789	CC1=CC(NC(=O)NC2=NC=C(CCNC3=CC(NC4=NC=NN4)=NC=N3)S2)=C(O1)C(F)(F)F
DB07790	COCCNS(=O)(=O)C1=CC=C(NC2=NC(=CC=N2)C2=CN=C(C)N2C(C)C)C=C1
DB07791	CNS(=O)(=O)C1=CC=C(NC2=NC(=CC=N2)C2=CN=C(C)N2C2CC2)C=C1
DB07792	[H][C@@]1(CC2=C(C=CC=C2)N(CC(=O)NCCO)C1=O)NC(=O)C1=CC2=C(N1)SC(Cl)=C2
DB07793	[H][C@@]1(Cl)SC2=NC(=CC2=C1)C(=O)N[C@@]1([H])CC2=C(C=CC=C2)N(CC(N)=O)C1=O
DB07794	NC1=NNC2=C1C=C(N=N2)C1=C2C=CC=CN2N=C1C1=CC=CC=C1
DB07795	OC1=CC2=C(C=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1
DB07796	[H][C@@]12CCC[N@@]1[C@@]([H])(C1=CC=C(C=C1)C(N)=[NH2+])[C@@]1([H])C(=O)N(CC3=CC=C(F)C=C3)C(=O)[C@@]21[H]
DB07797	CCOC1=C(F)C(CCNC(=S)NC2=NC=C(Cl)C=C2)=NC=C1
DB07798	[H][C@]1(CF)CC2=CC=C(C=C2CN1)S(=O)(=O)NCCC(F)(F)F
DB07800	ClC1=CN=C(NS(=O)(=O)C2=C(NC(=O)C3=CC=C(C=C3)N3C=CC=CC3=O)C=CC=C2)C=C1
DB07801	CCCCNC(=O)C1=CC=CC(NC(=O)CCCCCNC2=C3N=CNC3=NC=N2)=C1
DB07802	CC1=C(Br)C(=O)OC2=C(Br)C(O)=CC=C12
DB07803	OC(=O)C1=CNC(=N1)C1=CC=CC=C1
DB07804	[H][C@@](C)(N1CC[C@]([H])(NS(=O)(=O)C2=NNC(=N2)C2=CC=C(Cl)S2)C1=O)C(=O)N1CCOCC1
DB07805	CC(C)(CCl)C(=O)NC1=CC=C(C=C1)C(F)(F)F
DB07806	[H][C@@](NC(=O)CC1=CC=CC=C1)(C(=O)NCC1=CC=CC=C1)[C@]1([H])N[C@@]([H])(C(O)=O)C(C)(C)S1
DB07807	[H][C@@]1(O)CN(CCCC2=CC=CC=C2)C[C@]([H])(CO)[C@@]1([H])O
DB07808	[H][C@@]1(C[C@@]1([H])C(=O)NC1=CC(F)=CC=C1F)C(O)=O
DB07809	CC1=CC=CC(=C1)C(=O)C1=CC=NC(NCC2=CC=C(C=C2)C(N)=N)=C1
DB07810	OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O)C=C1
DB07811	CC1=NN=C(O1)C1=CC=C(C(C)=C1)C1=CC(=CC=C1C)C(=O)NC1CC1
DB07812	[H][C@](CN)(NC(=O)C1=CC=C(S1)C1=C2C=CNC2=NC=C1)C1=CC=CC=C1
DB07813	[H][C@@](C)(NC(=O)CN)C(=O)N1CCC[C@@]1([H])C(=O)NC1=CC=C2C=CC=CC2=C1
DB07814	[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)[C@@H](O)C=C[C@@]21OC3=O
DB07815	[H][C@@]12C[C@@]3(CC1=C)[C@@]([H])(CC2)[C@@]12CC[C@]([H])(O)[C@@](C)(C(=O)O1)[C@@]2([H])[C@]3([H])C(O)=O
DB07816	OC(=O)C\N=C(\NC(C1=CC=CC=C1)C1=CC=CC=C1)NC1=CC=C(C=C1)C#N
DB07817	O=C(NC1=NC=CS1)NC1=CC(=CC=C1)S(=O)(=O)N1CCN(CC1)C1=CC=CC=N1
DB07818	ONC(=O)\C=C\C1=CC=C(Cl)C=C1Cl
DB07819	ONC(=O)\C=C\C1=CC=C(Cl)C=C1
DB07820	CCOCN1C(=O)NC(=O)C(C(C)C)=C1CC1=CC(C)=CC(C)=C1
DB07821	[H][C@](C)(O[P@]([H])(C)=O)C(C)(C)C
DB07823	[H][C@@](C)(N1C(=O)[C@@]2([H])[C@@]3([H])CC[C@]([H])(C3)[C@@]2([H])C1=O)C(O)=O
DB07824	CCC1=C(C)NN(C1=O)C1=NN=NN1
DB07825	[H][C@]1(CN(C(=O)C1)C1=CC=C(C=C1)C(C)=O)C(O)=O
DB07826	ClC1=CC=C(OCC(=O)NC2=CC=CC=C2)C(=C1)C(=O)C1=CC=CC=C1
DB07827	CN1C(=O)N(CC2=CC=C(C=C2)C(O)=O)C(=O)C2=C1C=CC(=C2)C#CCC1=CC=CC=C1
DB07829	FC1=CC=C(C=C1)C1=NNC=C1C1=CC=NC=C1
DB07830	[H][C@]1(N)CN(CCC2=CC=C3OCOC3=C2)C(=O)C[C@]1([H])C1=CC(F)=C(F)C=C1F
DB07831	CCCC1=CC=C(NC(=O)C2=CC=CC=C2NCC2=CNC(=O)C=C2)C=C1C(F)(F)F
DB07832	CC1=C(NC2=CC=NC3=CC(=CC=C23)C2=CSC(C=O)=N2)C=C(O)C=C1
DB07833	CC1=NN=C(O1)C1=CC=C(C)C(=C1)C1=CC=C(C=C1)C(=O)NC1=CC(=CC=C1)C#N
DB07834	CC1=NN=C(O1)C1=CC=C(C)C(=C1)C1=CC=C(C=C1)C(=O)NCC1CC1
DB07835	CC1=CC=C(C=C1C1=CC=C(C=C1)C(=O)NCC1CC1)C(=O)NC1CC1
DB07836	[H][C@](COCCCCCCCCCC)(COCC(F)(F)F)O[P@](O)(=O)OC
DB07837	OC(=O)CC1=CC=C(C=C1)C1=CNC2=NC=C(C=C12)C1=CC=C2C=CC=CC2=C1
DB07838	OC1=C(\C=C2/SC(=S)N(CC3=CC=CC=C3)C2=O)C=CC=C1[N+]([O-])=O
DB07839	[H][C@@](CC1CCCCC1)(NC1=NC2=CC=CC=C2O1)C(=O)NCCNC1=CC=C(OC)C=C1
DB07840	COC1=CC=CC(=C1)C(=O)C1=CNC2=NC=CC(=C12)C1=CC(F)=CC(F)=C1
DB07841	CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(O)(=O)OP(O)(O)=O
DB07842	[H][C@@](CC1=CC=CC=C1)(OC1=CC=C(CC)C=C1)C(O)=O
DB07843	[H][C@@](C)(N1CC[C@]([H])(NS(=O)(=O)C2=CC3=C(S2)C=CC(Cl)=C3)C1=O)C(=O)N1CCOCC1
DB07844	[H][C@@](C)(N1CC[C@]([H])(NS(=O)(=O)C2=CC3=C(S2)C=C(Cl)C=C3)C1=O)C(=O)N1CCOCC1
DB07845	COC1=C(NC2=NC3=C(C=CN3)C(NC3=CC=CC(F)=C3C(N)=O)=N2)C=CC(CS(C)(=O)=O)=C1
DB07846	CCC1=CC=CC=C1NC(=O)OC1=CC2=C(C=C1)N(C)C1C2(C)CC[N+]1(C)[O-]
DB07847	[H][C@@](C)(N1CC[C@]([H])(NS(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1=O)C(=O)N1CCOCC1
DB07848	C[C@H](N1CC[C@H](NS(=O)(=O)C2=CC3=C(N2)C=CC(Cl)=C3)C1=O)C(=O)N1CCOCC1
DB07849	[H][C@](N)(CSCCCCCCCCC)C(O)=O
DB07850	[H][C@]1(CCCC[C@]1([H])C1=NNC(=S)N1)C(O)=O
DB07851	[H][C@]1(N)CCN(C[C@@]1([H])C1=CC(C)=CC=C1)C1=CC(OC)=C(OC)C=C1
DB07852	CC1=NC(=NN1C1=CC(Cl)=CC(Cl)=C1)C(O)=O
DB07853	N#CCC1C=CC(C=C1)=NC1=NC2=CC=CC=C2C(NC2=NNC(=C2)C2CC2)=N1
DB07854	CNCC1=CC=C(C=C1)C1=NC=NC2=C1N=CN2
DB07855	[H][C@](N)(C1=CC=CC=C1)C1=CC=C(C=C1)C1=C2N=CNC2=NC=N1
DB07856	ClC1=CC=C(C=C1)C1(CCNCC1)C1=CC=C(C=C1)C1=C2N=CNC2=NC=N1
DB07857	NC[C@@H](C1=CC=C(Cl)C=C1)C1=CC=C(C=C1)C1=CNN=C1
DB07858	NC[C@H](C1=CC=C(Cl)C=C1)C1=CC=C(C=C1)C1=CNN=C1
DB07859	ClC1=CC=C(C=C1)C1(CCNCC1)C1=CC=C(C=C1)C1=CNN=C1
DB07860	[H][C@@](CN)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1
DB07861	[H][C@](CC1=CC2=C(C=CC=C2)C=C1)(NS(=O)(=O)C1=CC2=C(C=CC=C2)C=C1)C(=O)NO
DB07862	CCC(CC)N1C=CC2=C1C=CC1=C2C(N)=NC(N)=N1
DB07863	[O-][N+](=O)C1=CC=C(Cl)C(=C1)C(=O)NC1=CC=CC=C1
DB07864	CC(C)C1=C(OC#CC2CC2)C2=CC(F)=CC=C2NC1=O
DB07865	O=C1CCCC(NC2=NN=NN2)=C1
DB07866	CCC[C@]1(C)SC(NC2CCCCCCC2)=NC1=O
DB07867	CCCC1=C(OC2CCCCC2)C2=CC(Cl)=CC=C2NC1=O
DB07868	CCCC1=C(SC2CCCCC2)C2=CC(Cl)=CC=C2NC1=O
DB07869	[H]N1C(=O)C(CCC)=C(C2=C1C=CC(Cl)=C2)[S@](=O)C1CCCCC1
DB07870	[H][C@](C)(OC1=CC=C(OC2=NC=C(C=C2Cl)C(F)(F)F)C=C1)C(O)=O
DB07871	CC(C)C1=C(OC2CCCCC2)C2=CC(Cl)=CC=C2NC1=O
DB07872	[H][C@]1(CCN(CC(=O)NC2=C(F)C=C(C=C2)N2C=CC=CC2=O)C1)NC(=O)C1=CC=C(Cl)S1
DB07873	CCCCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O
DB07874	COC1=CC(=CC=C1)C1=CC(=CC=C1)[C@]1(C)CC(=O)N(C)C(N)=N1
DB07875	[H][C@]1(O)CN(CC(=O)NC2=C(F)C=C(C=C2)N2C=CC=CC2=O)C[C@]1([H])NC(=O)C1=CC=C(Cl)S1
DB07876	[H][C@]1(C)CNCCCN1S(=O)(=O)C1=C2C(C)=CN=CC2=CC=C1
DB07877	CC(C)NCCCN1C(SC2=C(Br)C=C3OCOC3=C2)=NC2=C1N=CN=C2N
DB07878	C\C=C\C[C@]([H])(C(C)=O)N1N=NC(=C1)[C@](C)(C(C)C)NC(=O)C1=CC=CC=C1
DB07879	ONC(=O)C1=CC=C(S1)C(=O)N1CCN2C(C1)=NC=C2C1=CC=CC=C1
DB07880	OC(=O)C1=CC=CC=C1\N=N\C1=CC=C(O)C=C1
DB07881	[H][C@](CC1=CC=CC=C1)(NC(=O)CCCC(O)=O)[P@](O)(=O)OCC(=O)NCCC1=CC=CC=C1
DB07882	[H][C@@]12O[C@]1(C)CC[C@]1([H])[C@]2(C)CCC[N@+]1([O-])CC(=O)NC1=CC=C(NC(=O)CCCC(O)=O)C=C1
DB07883	[H][C@]12CC[C@]([H])(C1)[C@](N)(C(=O)C1=CC=CC=C1)[C@]2([H])C1=CC=CC=C1
DB07884	[H][C@@]1(CC)N(C(=O)OC(C)C)C2=CC(F)=CC=C2NC1=O
DB07885	[H][C@@]1(CSC)N(C(=O)OC(C)C)C2=C(NC1=S)C=CC(OC)=C2
DB07887	[H]N([H])C(=NCC1=CC=C(C=C1)B1OC[C@@H](CO)O1)N([H])[H]
DB07888	[H][C@]1(CC(=O)OC)CC(=NO1)C1=CC=C(O)C=C1
DB07889	[H]N(C1=CC=C(OC[C@@H](O)CN(C)C)C=C1)C1=NC=CC(=N1)C1=C(C)N=C2C=CC=CN12
DB07890	OC1=C(SCC\C=C\P(O)(O)=O)C=CC=C1
DB07892	CC1=C(SC2=CC=CC=C2)N(COCCO)C(=O)NC1=O
DB07893	[H][C@@](CCCC)(NC(=O)CCC(O)=O)[P@](O)(=O)OC1=CC=CC=C1
DB07894	OC1=CC=C(F)C=C1SCC\C=C\P(O)(O)=O
DB07895	[H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)C[C@@]([H])(O)P(O)(O)=O
DB07896	[H][C@@](O)(C(O)=O)C1=CC=C(O)C=C1
DB07897	OCCCCCCCCNCO
DB07898	[H][C@@](COC(=O)CCC)(COP(O)(O)(O)O)OC(=O)CCC
DB07899	[H][C@@](C)(NC(C)=O)C(=O)N[C@@]([H])(CC1=CC=CC=C1)C(=O)CCCl
DB07900	[H][C@@](O)(C(=O)NO)[C@@]([H])(CC(C)C)C=O
DB07901	CC1=C(Cl)C(NCCC2=CC=CC=C2)=NC(=N1)C1=NC=CC=C1
DB07902	CC(C)(C)OC(=O)NC1=C(N=CC=C1)C(=O)NC1=NC=CS1
DB07903	CC(C)(C)C(=O)NC1=C(N=CC=C1)C(=O)NC1=NC=CS1
DB07905	[H][C@@]12C[C@]([H])(O)[C@]([H])(O)C(=O)C=CC[C@]([H])(C)OC(=O)C3=C(C=C(OC)C=C3O)[C@@]1([H])O2
DB07906	[H][C@]1(CO)CC2=CC=C(C=C2CN1)[N+]([O-])=O
DB07907	[H][C@](O)(CCCCCC)C(O)=O
DB07908	CC1=C(CCO)C(=O)OC2=CC(O)=CC=C12
DB07909	[H][C@]1(O)C[C@]([H])(CC[C@]1([H])C1=CC=C(C=C1)C(=O)NCCCC(O)=O)C1=CC=CC=C1
DB07910	[H][C@](N)(CC1=CC=CC=C1)C(O)O
DB07911	[O-]C(=O)C(=O)\C=C\CC(=O)C1=CC=CC=C1
DB07912	CCCCCC(=O)CP(O)(O)=O
DB07913	[H][C@](N)(CCC1=CC=CC=C1)C(C)=O
DB07914	OC(=O)C(\O)=C\C=C\C(=O)C1=CC=CC=C1
DB07915	OC(=O)C(\O)=C/C=C/C(=O)C1=CC=CC=C1
DB07916	[H][C@@](CC(O)=O)(NC(=O)[C@@]([H])(CCCCNC(=O)C1=NC2=C(C=CC=C2O)C=C1)C1=CC=CS1)C=O
DB07917	C(CN1CCC(CC1)OC(C1=CC=CC=C1)C1=CC=CC=C1)CC1=NN=NN1
DB07918	CCCCCCCC1=[N+]([O-])C2=CC=CC=C2C(O)=C1
DB07919	COC1=CC=C2C(NC3=C2C=CN=C3C)=C1
DB07920	O=NC(=O)CNS(=O)(=O)C1=CC=C(C=C1)C1=CC=CC=C1
DB07921	FC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N=O
DB07922	O=NC(=O)CNS(=O)(=O)C1=CC=CC=C1
DB07923	[H][C@]1(O)[C@@]([H])(O)[C@]([H])(CO)O[C@@]([H])(OCCCCCCCC)[C@]1([H])O
DB07924	[H][C@]1(O)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCCCC)[C@]1([H])O
DB07925	OC1=CC=CC=C1[S@](=O)CCCCP(O)(O)=O
DB07926	[H][C@@](CC(C)C)(CC(=O)NO)C(=O)N[C@@]([H])(CC1=CC=C(OC)C=C1)C(=O)NC
DB07927	OC(=O)C1=C(C=CS1)S(=O)(=O)NC1=C(O)C=C(C=C1)C(O)=O
DB07928	[H][C@@]1(CCOC1=O)NC(=O)CCCCCCC
DB07929	CC1=CC(=CC(C)=C1)C(=O)N(NC(=O)C1=C(C)C2=C(OCCO2)C=C1)C(C)(C)C
DB07930	[H][C@@](O)(CCCCCCCCC)CC(O)=O
DB07931	[H][C@](CC)(C1=CC=C(O)C=C1)[C@]([H])(CC)C1=CC=C(O)C=C1
DB07932	[H][C@]12O[C@]([H])(C(C(=O)OC)=C1C(=O)OC)C(=C2C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
DB07933	[H][C@@]12CCC[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1)C1=CC=C(O)C=C1
DB07934	[H][C@](CCNC1=CC=[NH+]C=C1)(NC(=O)CNS(=O)(=O)C1CCCCC1)C(=O)N1CCCCC1
DB07935	CC1=NNC2=C1C(OC1=CC(=CC(=C1)C#N)C#N)=C(F)C=C2
DB07936	[H][C@@]1(CCN(C1)C(=O)C1=CC=C(NC2=NC(C3=CN=C(C)N3C(C)C)=C(F)C=N2)C=C1)N(C)C
DB07937	CCCCOC1=NC(NCCN2CCOCC2)=C2N=CN(CC3=C(F)C=CC=C3F)C2=N1
DB07938	[H][C@]1(OC2=C(C=C1)C(CC1=CN=C(N)N=C1N)=CC(OC)=C2OC)C1CC1
DB07939	[H][C@](C)(NC(=O)CCS)C(O)=O
DB07940	IC1=CC=CC(CNC2=C3CCCCC3=NC3=C2C=CC=C3)=C1
DB07941	CNC(=O)C1=CC=C(C)C(=C1)N1C(C)=CC(OCC2=C(F)C=C(F)C=C2)=C(Br)C1=O
DB07942	FC1=CC=C(C=C1)C1=CNN=C1C1=CC(F)=NC=C1
DB07943	OCC(=O)N1CCC(CC1)C1=NNC(=C1C1=NC=NC=C1)C1=CC=C(Cl)C=C1
DB07944	CC1=CC(OCCNC2=CC=[NH+]C=C2)=CC(NS(=O)(=O)C2=CC=CC=C2)=C1
DB07945	NC(=O)C1=CC=CC(CN2C3=C(CCCCC3)C3=CC=CC(C(O)=O)=C23)=C1
DB07946	[H]N([H])C(=NOCCN([H])C(=O)CC1=C(Cl)C=CC(N([H])CC(F)(F)C2=CC=CC=C2)=C1F)N([H])[H]
DB07947	ClC1=CC=C(COCCNCCNS(=O)(=O)C2=CC=CC3=CN=CC=C23)C=C1
DB07949	OC(=O)CO\N=C1/C2=CC=CCC2=N/C/1=C1\C(=O)N=C2CC=CC=C12
DB07950	OC(=O)CC1=CNC2=CC=CC=C12
DB07951	[H][C@@](CC(O)=O)(NC(=O)CC1=CNC2=CC=CC=C12)C(O)=O
DB07952	OC(=O)CNC(=O)CC1=CNC2=C1C=CC=C2
DB07953	[H][C@](NC(=O)CC1=CNC2=CC=CC=C12)(C(C)C)C(O)=O
DB07954	CC(C)CN1C2=C(N=CN2)C(=O)N(C)C1=O
DB07955	NC1=CC(C=O)=C(CC(=O)OCCBr)C=C1
DB07956	[H][C@](NC(=O)OC(C)(C)C)(C(C)C)C(=O)NC1=CC=CC(Cl)=C1C=O
DB07957	[H][C@](OC(C)=O)(C(=O)OC)C1=CC=C(N)C=C1C(O)=O
DB07958	CCCC1=CC2=C(NC(CC(N)=O)=C2)C(CC(O)=O)=C1
DB07959	N1N=C(C2=NC3=CC=CC=C3N2)C2=C1C=CC=C2
DB07960	[H][C@]1(O)C=C(O[C@@]([H])(OCC(C)C)[C@]1([H])NC(C)=O)C(O)=O
DB07961	[H]N([H])C(\CC1=C(Cl)C=CC=C1Cl)=N/C(=S)N([H])C1=CC=C(C=C1)C#N
DB07962	COC(=O)CCNC(=O)C1=C(O)C(I)=CC(=C1)C1=C(F)C=C(F)C=C1
DB07963	OC(=O)CCNC(=O)C1=C(O)C(I)=CC(=C1)C1=C(F)C=C(F)C=C1
DB07964	[H][C@]1(N(CCSC1(C)C)S(=O)(=O)C1=CC=C(OCC#CC)C=C1)C(=O)NO
DB07965	CN1CCN(CCN2C=NC3=C(NC4CCCCC4)N=C(N=C23)C#N)CC1
DB07966	N#CCC1=CC=C(NC2=NC3=CC=CC=C3C(NC3=NNC(=C3)C3CC3)=N2)C=C1
DB07967	N#CC1=NC2=C(N=CN2C2CCCC2)C(NC2=CC=CC=C2OCCCN2C=CN=C2)=N1
DB07968	COC1=CC=C(O)C=C1NC(=O)NC(=O)C1=CC=C(F)C=C1Cl
DB07969	CN1CCN(CC1)C1=NC2=C(C=C(C=C2N=C1)C(F)(F)F)C1=CC(O)=CC=C1
DB07970	CC1=C(NC2=CC(=CN=C2)C(N)=O)C=C(C=C1)C(=O)NC1=CC=CC(=C1)C(F)(F)F
DB07971	NC1=CC=C(SC2=CC=C(C=C2)N2C(=O)C3=C(C=C(N)C=C3)C2=O)C=C1
DB07972	CC1=CC=CC(=C1)N1C=NC2=CC(N)=CC=C12
DB07973	COC1=CC(CN2C(=CC3=C2C=CC=C3)C(=O)NC2CCN(CC2)C(C)C)=CC=C1
DB07974	CC(C)N1CCC(CC1)NC(=O)C1=CC2=C(C=CC=C2)N1CC(=O)NC1=CC=C(Cl)C=C1
DB07975	OC(=O)C1=C(CCC1)C(=O)NC1=C(F)C=C(C=C1F)C1=CC=CC(OC(F)(F)F)=C1
DB07976	COC1=CC=CC(=C1)C1=CC=C(NC(=O)C2=C(SC=C2)C(O)=O)C(F)=C1
DB07977	OC(=O)C1=C(C=CS1)C(=O)NC1=C(F)C=C(C=C1F)C1=CC(OC(F)(F)F)=CC=C1
DB07978	OC(=O)C1=C(C=CC1)C(=O)NC1=C(F)C(F)=C(C(F)=C1F)C1=CC(OC(F)(F)F)=CC=C1
DB07979	[H]N=C(CC1=CC(O)=C(O)C=C1)C(O)=O
DB07981	CC[C@H](CO)NC(=O)CC1=C(C)N(C(=O)C2=CC=C(Cl)C=C2)C2=CC=C(OC)C=C12
DB07982	CC(C)N1C(C)=NC=C1C1=NC(NC2=CC=C(C=C2)N2CCN(CC2)C(=O)CO)=NC=C1
DB07983	COC1=CC=C2N(C(=O)C3=CC=C(I)C=C3)C(C)=C(CC(O)=O)C2=C1
DB07984	CC[C@@H](CO)NC(=O)CC1=C(C)N(C(=O)C2=CC=C(Cl)C=C2)C2=C1C=C(OC)C=C2
DB07985	[H][C@](CCC1=CC=C(C=C1)C(N)=N)(CC(=O)OC)C1=CC=CC(=C1)C(N)=N
DB07986	OC(=O)CNS(=O)(=O)C1=CC=C(C=C1)N1CCC(CC1)C1=CC=CC=C1
DB07987	[H]N([C@H](CC(=O)N([H])C1=NN([H])C(=S)S1)C1=CC=CC=C1)C(=O)OCC1=CC=CC=C1
DB07988	CNC(=O)[C@H](CC1=C(F)C(F)=C(F)C(F)=C1F)NC(=O)NC1=NN=C(S)S1
DB07989	[H][C@](CC(C)C)(N(O)C(C)=O)C(=O)OC
DB07990	[H][C@@](CC)(COC1=CC=CC=C1)O[P@](C)(Cl)=O
DB07991	[H][C@@](C)(CCC1=CC=C(O)C=C1)NC(=O)CC1=C(NC2=C1C=CC=C2)C1=CC=CC=C1
DB07992	OS(=O)(=O)OC1=CNC2=CC=CC=C12
DB07993	NC1=NC=CC=C1NCC1=CC=CC(=C1)C1=CC2=C(C=CN2)C=C1
DB07994	NC1=NC=CC=C1NCC1=C(OCC2=NC=CC=C2)C=CC(=C1)C1=CC2=C(C=CN2)C=C1
DB07995	BrC1=CC=C(\C=C\CNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C=C1
DB07996	CC1CNCCN1S(=O)(=O)C1=C2C=CN=CC2=CC=C1
DB07997	CNCCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2
DB07999	OC(=O)COC(=O)C1=C2C(C(=O)N(CC(O)=O)S2(=O)=O)=C2C=CC=CC2=C1
DB08000	OC(=O)CN1C(=O)C2=C(C(=CC3=CC=CC=C23)C(O)=O)S1(=O)=O
DB08001	COC(=O)C1=C(O)C=CC=C1OC\C=C\C1=CC(=CC=C1)C1=C(CO)C(=NO1)C(O)=O
DB08003	[H][C@@](CC1=CC=C(C=C1)[C@]1([H])CC(=O)NS1(=O)=O)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(C)=O)C(N)=O
DB08004	[H][C@](CO)(NC1=NN2C(C=C1)=NC=C2C1=CC(N)=CC=C1)C(C)C
DB08005	CCNC(=O)N1CCC(CC1)NC1=NC(C2=CNC3=CC=CC=C23)=C(Cl)C=N1
DB08006	CC1=NC2=NC=NN2C(NC2=CC3=CC4=CC=CC=C4C=C3C=C2)=C1
DB08007	[H][C@@](O)(CNC(=O)NCC1=CC=CC=C1)C(O)=O
DB08008	CC1=NC2=NC=NN2C(NC2=CC=C(C=C2)C(F)(F)F)=C1
DB08009	CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(Cl)C=C3)=C1C
DB08010	O\N=C1/C(=O)N(CC2=C3OCOCC3=CC(F)=C2)C2=CC=CC(\C=C\C3=CC=CC=C3)=C12
DB08011	O\N=C1\C(=O)N(CC2=CC(F)=CC3=C2OCOC3)C2=C1C=C(F)C=C2
DB08012	CCOC(=O)C1=CC=C(OCCC2CCN(CC2)C2=NN=C(C)C=C2)C=C1
DB08013	CCOC(=O)C1=CC=C(OCCCC2CCN(CC2)C2=NN=C(C)C=C2)C=C1
DB08014	CCOC(=O)C1=CC=C(OCCCCC2CCN(CC2)C2=NN=C(C)C=C2)C=C1
DB08015	O\N=C1/C(=O)N(CC2=CC(F)=CC3=C2OCOC3)C2=CC=CC(=C12)C1=CC=CC=C1
DB08016	OP(O)(=O)OCCCCC1=C(Cl)NC(=O)NC1=O
DB08017	COC1=NN=C(C=C1)N1CCN(CC1)C1=CC(C)=CC=C1
DB08018	[H][C@]1(CC2=NC(N)=CC(C)=C2)CNC[C@@]1([H])NCCNCC1=CC=C(Cl)C=C1
DB08019	[H][C@]1(CC2=NC(N)=CC(C)=C2)CNC[C@]1([H])NCCNCC1=CC(Cl)=CC=C1
DB08020	[H][C@@]12CCC[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1COC)C1=CC=C(O)C=C1
DB08021	ClC1=C(N2CCN(CC#C)CC2)C(NC(=O)C2=CC=C(Br)O2)=CC=C1
DB08022	[H][C@](C#N)(C1=NC2=C(S1)C=CC=C2)C1=NC(NCCC2=CC=CN=C2)=NC=C1
DB08023	CN(C1CCCCC1)C1=NC(=CC=N1)C1=CN=C2C=CC=CN12
DB08024	[H][C@](N)(CC1=CC=C(C=C1)C1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])CN
DB08025	[H][C@@]1(CC[C@@]([H])(CC1)C(=O)NC1=CC(=CC=N1)C1=CC(NC2=CC=C(F)C=C2)=NC=C1)OC
DB08026	CNC(=O)CN1CCC(CC1)NC1=NC(=CC=N1)C1=CN=C2C=CC=CN12
DB08027	CN(C)CC1=CC=C(CSCCNC(=O)NC2=CC=C(C)C(Cl)=C2)O1
DB08028	ClC1=CC=C(C=C1)C1=NN\C(SC1)=N\CCC=C
DB08029	OCCN(CC(=O)NO)S(=O)(=O)C1=CC=C(C=C1)C1=CC=CC=C1
DB08030	ONC(=O)CCOC1=CC=C(C=C1)C1=CC=C(C=C1)C#N
DB08031	CC(C)(NC(=O)C1=CC=C2C(=C1)N1CCOC3=C(C=CC=C3)C1=C2C1CCCCC1)C(O)=O
DB08032	CCN(CC)C(=O)C1=C(NC(=O)C2=CC=CS2)SC2=C1CCCC2
DB08033	[H][C@@]1(C)CCC2=C(C1)C(C(=O)N(CC)CC)=C(NC(=O)C1=CC=CS1)S2
DB08034	COC1=C(\C=N\NC(=O)C2=CC(O)=C(O)C=C2)C2=CC=CC=C2C=C1
DB08035	CC1=CC=C(C)C(CC2=NN(C3=C2C(N)=NC=N3)C(C)(C)C)=C1
DB08036	O=C1NCC2=C3C(NC4=CC=CC=C34)=C3NC4=C(C=CC=C4)C3=C12
DB08037	[H][C@@]1(F)CN(C)CC[C@]1([H])N(C)C(=O)N1CC(=C[C@@]1(CO)C1=CC=CC=C1)C1=CC(F)=CC=C1F
DB08038	[H][C@@](C)(N)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CC1=CC=CC=C1)[C@@]([H])(C)O
DB08039	CN(C)S(=O)(=O)C1=CC=C2NC(=O)\C(=C/C3=CC4=C(CCCC4)N3)C2=C1
DB08040	[H][C@@](C)(NC(=O)[C@@]([H])(CC(=O)NO)CC1=CC=CC=C1)C(O)=O
DB08041	[H][C@@](CC1=CC=CC=C1)(NC(=O)OCC1=CC=CC=C1)[C@@]([H])(O)C(O)=O
DB08042	COC1=CC(NC2=NC(=CC=N2)N(C)C2=CC3=C(C=C2)C(C)=NN3)=CC(OC)=C1OC
DB08043	FC(F)(F)C1=CC(NC(=O)NC2=CC=C(OC3=CC=NC=C3)C=C2)=CC=C1
DB08044	[H][C@]1(N)CC(=CC[C@]1([H])C1=CC(F)=C(F)C=C1F)C(=O)N1CCN2C(C1)=NN=C2C(F)(F)F
DB08045	NCCCOC1=CC=C(C=C1)C1=C(NN=C1)C1=CC(Cl)=C(O)C=C1O
DB08046	NS(=O)(=O)C1=CC(=CC=C1Cl)[C@@]1(O)NC(=O)C2=CC=CC=C12
DB08047	OC1=CC(O)=C(C=C1)C1=NN(CC=C)C2=C1C=CC=C2C(F)(F)F
DB08048	OC1=CC=C2C(NN=C2C2=CC=C(O)C=C2O)=C1
DB08049	OC1=CC=C2C(OC(=O)C=C2C2=CC=CC=C2)=C1O
DB08050	OC(=O)C(=O)CCCC1=CC=CC=C1
DB08051	[H][C@](N)(CC(=O)N1CCCCCN1C(=O)C1=CC=CC=C1)CC1=C(F)C=C(F)C(F)=C1
DB08052	NC1=C2C(=NC=N1)N(N=C2C1=CC2=C(NC=C2)N=C1)C1CCCC1
DB08053	COC1=C(OC)C=C(C=C1)C1=NN(C2CCC2)C2=NC=NC(N)=C12
DB08054	CC(C)N1N=C(C2=C(N)N=CN=C12)C1=CC2=CC=CN=C2C=C1
DB08055	ClC1=C(NC2=NC=C(N3C=NC=C23)C2=CC=CC=C2)C=CC=C1
DB08056	CC1=CC=CC(C)=C1NC1=NC=C(N2C=NC=C12)C1=CC=CC=C1
DB08057	[H][C@]1(C)CN(CCN1)C1=CC=C2N=C(NC3=C(C)C=CC=C3Cl)C3=CN=CN3C2=C1
DB08058	FC1=CC=C(CC2=NNC(=O)C3=CC=CC=C23)C=C1C(=O)N1CCCNCC1
DB08059	[H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)C2=C3C(=CO2)C(=O)O[C@H](COC)[C@]13C
DB08060	NC1=CC=CC=C1C(=O)CCC(O)=O
DB08061	ClC1=CC=C(C=C1)C1=NNC(=C1)C1CCNCC1
DB08062	CSC1=NN=C(N1)C1=CC=C(Cl)C=C1
DB08063	COC1=CC=C(NC2=C(C(=O)N(CC3=CC=CC=C3)C2=O)C2=CC=CC=C2)C=C1
DB08064	CC(C)(C)C1=NNC(NC(=O)NC2=CC=C(Cl)C(COC3=CC=CN=C3)=C2)=C1
DB08065	N1C=CC(=N1)C1=NC2=CC=CC=C2N1
DB08066	O=C(NC1=CNN=C1C1=NC2=C(N1)C=CC=C2)C1=CC=CC=C1
DB08067	O=C(NC1CC1)NC1=CNN=C1C1=NC2=CC=C(C[NH+]3CCOCC3)C=C2N1
DB08068	[H][C@@]1(F)C[C@]([H])(CC(=C1)C(=O)NC1=CC=C(Cl)C(COC2=CN=CC=C2)=C1)N1CCOCC1
DB08069	CC1=CC=CC=C1C1=NNC(=S)N1N
DB08070	CC1=NNC=C1C1=CC=C(CCN)C=C1
DB08071	[H][C@](C)(C[C@@]([H])(C)C1=CC=CC=C1)C[C@]1([H])CCCCN1C
DB08072	CC(C)OC1=CC(NC(=O)C2=CC(Cl)=C(OCCN)C(Cl)=C2)=CC=C1
DB08073	[H][C@@](N)(COC1=CN=CC(=C1)C1=CC=C2NN=C(C)C2=C1)CC1=CNC2=CC=CC=C12
DB08074	CC(C)=CCN1C=NC(N)=C2N=CN=C12
DB08075	NC1=NC(=CS1)C1=NC(N)=NC=C1
DB08076	CC1=NC(=CN1CC1=C(Cl)C=CC=C1Cl)C1=NC(N)=NC=C1
DB08077	CC(C)(OC1=CC=C(NC(=O)NC2=CC(Cl)=CC(Cl)=C2)C=C1)C(O)=O
DB08078	CCCC1=C(OCCCOC2=CC=C(OCC(O)=O)C=C2)C=CC(C(C)=O)=C1O
DB08079	COC1=CC2=NC=CC(OCC3=NN=C4C=CC(=NN34)C3=CC=CC=C3)=C2C=C1
DB08080	[H][C@]1(CSC(=O)N1)[C@@]1(O)C[C@@]2([H])C[C@@]([H])(CC[C@]([H])(C)\C=C/CC\C(C)=C/C(=O)O2)O1
DB08081	[H][C@@]1(CCOC1=O)NC(=O)CC(=O)CCCCC
DB08082	OCCNC(=O)C1=CC=C(Cl)C=C1
DB08083	NS(=O)(=O)C1=CC=C2NC(=NC2=C1)C1=CSC=N1
DB08084	OC(=O)COC1=CC(F)=CC=C1C(=S)NCC1=CC=C(Br)C=C1F
DB08085	CCCCCCC1=CC=C(C=C1)C(=O)C=C
DB08086	[H][C@@](CC(C)C)(NC(=O)CCCCCCCCCCCN1C=CN=C1)C(O)=O
DB08087	[H][C@@]1(O)CCN2C(=O)N(C(=O)[C@]12[H])C1=CC=C(C#N)C2=CC=CC=C12
DB08088	N#CC1=CC=C(\N=C2/O[C@@]([H])(C(F)(F)F)[C@]3([H])[C@](O)([H])CCN23)C(C)=C1Cl
DB08089	FC(F)(F)CN(CC(F)(F)F)C1=CC2=C(NC(=O)C=C2C(F)(F)F)C=C1
DB08090	[H][C@]12CO\C(=N/CCCCCCCC)N1[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]2([H])O
DB08091	FC1=CC(=CC(=C1)C(=O)NC1=CC=C2NC=C(CCC3=CC=NC=C3)C2=C1)N1CCOCC1
DB08092	FC1=CC(=CC(=C1)C(=O)NC1=CC=C2NC=CC2=C1)N1CCOCC1
DB08093	NC1=C(OCC2=CC=CC3=CC=CC=C23)C=CC=N1
DB08094	COC1=C(C(=O)C2=CN=C(NC3CCN(CC3)S(C)(=O)=O)N=C2N)C(F)=C(F)C=C1
DB08095	[H][C@@](C)(NC1=NC=CC(=N1)N(C(=O)NC1=CC=CC=C1Cl)C1=CC=C(OC)C=C1)C(C)(C)O
DB08096	CCN1C(NC2=CC=CC=C2Cl)=NC2=C1N=C(NC1=C(F)C=CC=C1F)N=C2
DB08097	CC(C)N1C(NC2=CC=CC=C2F)=NC2=CN=C(OC3=C(F)C=CC=C3F)N=C12
DB08098	OC(=O)CSC1=NN=C(O1)C1=CC=C(O1)[N+]([O-])=O
DB08099	[H][C@]1(CCC2=CC=C(C=C2N1CCCOC)C1=C(N)N=C(N)N=C1CC)C1=CC=CC=C1
DB08100	CC1=CC(\C=C\C2=CC=CC=C2)=CC(C)=C1O
DB08101	OC1=C(Br)C=C(\C=C\C2=CC=CC=C2)C=C1Br
DB08102	OC1=C(Br)C=C(C=C1Br)C1=CC=CC=C1
DB08103	OC1=C(Br)C=C(OC2=CC=CC=C2)C=C1Br
DB08104	OC1=C(Br)C=C(NC(=O)C2=CC=CC=C2)C=C1Br
DB08105	CCCCOC1=CC2=CC=C(C=C2C=C1)S(=O)(=O)N[C@@H](CCC(O)=O)C(O)=O
DB08106	CCCCOC1=CC2=CC=C(C=C2C=C1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O
DB08107	[H][C@](CCC(O)=O)(NS(=O)(=O)C1=CC2=C(C=C1)C=C(OCCCCC)C=C2)C(O)=O
DB08108	[H][C@](CCC(O)=O)(NS(=O)(=O)C1=CC2=C(C=C1)C=C(OCC1=CC=C(C=C1)C#N)C=C2)C(O)=O
DB08109	[H][C@](CC)(C=O)[C@@]1([H])NC(C(O)=O)=C2[C@@]1([H])CCC[C@@]2([H])OCCCC
DB08110	[H][C@]1(NC(C(O)=O)=C2[C@]1([H])CCC[C@]2([H])OC)C(=C/C)\C=O
DB08111	OC1=CC=C(CC2=NN=C3C=CC(=NN23)C2=CC=CC=C2)C=C1
DB08112	[H][C@](CCC(O)=O)(NS(=O)(=O)C1=CC2=C(C=C1)C=C(OCC1=C(F)C=C(C=C1)C#N)C=C2)C(O)=O
DB08113	N1N=C(C2=C1C=CC=C2)C1=CC=NC=C1
DB08114	NC1=NC=C(CC2=CC=CC=C2)S1
DB08115	NCCOC(=O)CC1=C2C=CC=CC2=CC=C1
DB08116	[H][C@](NC1=C(C=O)C=C2C=CC=CN12)(C(O)=O)[C@](C)(COC(=O)CC1=CC(O)=C(O)C=C1)[S@](O)=O
DB08118	CNC1=C(C=C(SC2=NN=CN2C)C=C1)C(=O)NC1=NC(C)=CS1
DB08119	[H][C@@](CC(C)C)(NC(C)=O)C(=O)N[C@@]([H])(CC1=CC=CC=C1)C(=O)C(F)(F)F
DB08120	[H][C@](S)(CCS)CCCCC(N)=O
DB08121	[H][C@@](CC1=CC=CC=C1)(OC1=CC=C(C=C1)C1=CC=CC=C1)C(O)=O
DB08122	[H]\C(NC1=CC=C(C=C1)S(=O)(=O)NC)=C1\C(=O)NC2=CC=CC=C12
DB08123	CNS(=O)(=O)CC1=CC=C(N\N=C2/C(=O)NC3=C2C2=C(C=C3)N=CS2)C=C1
DB08124	O=C1NC2=CC=C(C=C2\C1=C\NC1=CC2=C(CS(=O)(=O)C2)C=C1)C1=CN=CO1
DB08125	O=C1NC2=CC=CC=C2\C1=C\NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1
DB08126	NC(=N)NS(=O)(=O)C1=CC=C(N\C=C2/C(=O)NC3=C2C=CC=C3)C=C1
DB08127	C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
DB08128	[H][C@]12CC[C@]([H])(C3=C(C=CC=C13)C(F)(F)F)[C@@]2([H])N
DB08129	[H][C@](O)(CN)C1=CC=CC(=C1)C(F)(F)F
DB08130	NCCNC1=NN=C(O1)C1=C(NC2=CC=C(I)C=C2F)C(F)=C(F)C=C1
DB08131	[H][C@](NC(=O)C1=CC=C(CCC2=CNC3=C2C(=O)NC(N)=N3)C=C1)(C(C)C)C(O)=O
DB08132	NS(=O)(=O)C1=C2C=CC=C(O)C2=CC=C1
DB08133	NS(=O)(=O)C1=CC=C(NC(=O)C2=NNC3=C2C=CC=C3)C=C1
DB08134	NS(=O)(=O)C1=CC=C(NC2=NC(Cl)=CN=C2)C=C1
DB08135	O=C(NC1=CC=CC=C1)C1=NNC=C1
DB08136	CC(=O)NC1=CNN=C1C(=O)NC1=CC=C(F)C=C1
DB08137	FC1=CC=C(NC(=O)C2=NNC=C2NC(=O)C2=CC=CC=C2)C=C1
DB08138	FC1=CC=C(NC(=O)C2=NNC=C2NC(=O)C2=C(F)C=CC=C2F)C=C1
DB08139	CC(C)NC1=CC(Cl)=NC2=C(C=NN12)C#N
DB08140	[H][C@]1(N)CC[C@@]([H])(CC1)NC1=NC2=C(C=NN2C(NC(C)C)=C1)C#N
DB08141	[H][C@@]1(CCCNC1)NC(=O)C1=NNC=C1NC(=O)C1=C(F)C=CC=C1F
DB08142	ClC1=CC=CC(Cl)=C1C(=O)NC1=CNN=C1C(=O)NC1CCNCC1
DB08143	[H][C@]1(F)CN(CC(=O)NC2=CC=C(C=C2F)N2C=CC=CC2=O)C[C@]1([H])NC(=O)C1=CC=C(Cl)S1
DB08144	NC1=NC2=NC(N)=C(C=C2C=N1)C1=C(Br)C=CC=C1Br
DB08145	COC1=CC=CC(OC)=C1C1=CC2=CN=C(N)N=C2N=C1N
DB08146	NC1=NC2=C(C=N1)C=C(C1=CC=CC=C1)C(=N2)N1CC=CC1
DB08147	OC(=O)C(=O)CC(=O)C1=CC=CC(=C1)N(CC1=CC=CC=C1)CC1=CC=CC=C1
DB08148	NCC1(CCN(CC1)C1=C2C=CNC2=NC=N1)C1=CC=C(Cl)C=C1
DB08149	NCC1(CC2=CC=C(Cl)C=C2)CCN(CC1)C1=C2C=CNC2=NC=N1
DB08150	[NH3+]C1(CC2=CC=C(Cl)C=C2)CCN(CC1)C1=C2C=CNC2=NC=N1
DB08151	[H][C@]1(CO)O[C@@]2(CC(=NO2)C2=CC=CC=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O
DB08152	[H][C@@]1(COC(=O)CC2=CC(Cl)=CC=C2)CCCN1C(=O)CNC(=O)OC(C)(C)C
DB08153	OC1=CC(O)=C2C(CC(=O)CCCCC\C=C\CCOC2=O)=C1Cl
DB08154	ClC1=CC(=CC(OC2=C(Cl)C=CC(OCC3=NNC4=C3C=CC=C4)=C2)=C1)C#N
DB08155	CC(=O)NCCC1=CC=C(C=C1)S(N)(=O)=O
DB08156	NS(=O)(=O)C1=CC=C(CCC(O)=O)C=C1
DB08157	CCOC(=O)CCC1=CC=C(C=C1)S(N)(=O)=O
DB08158	[H][C@]1(CO)O[C@@]([H])(OC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)[C@@]([H])(F)[C@@]([H])(O)[C@]1([H])O
DB08159	OC(=O)CCCN1C2=C(C(=O)C3=CC=CC=C23)C2=CC=CC=C2C1=O
DB08160	[H][C@](N)(CCSC)C(O)(O)C1=NC=CS1
DB08161	[H][C@](CS)(CCCC1=CC=CC=C1)C(O)=O
DB08162	O=S(=O)(N1CCCNCC1)C1=CC=CC2=C1C=CN=C2
DB08163	[H][C@]1(CN(C)CCCCON)O[C@@]([H])(N2C(C=C)=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O
DB08164	[H][C@]1(N)CN(CC[C@]1([H])C1=CC(F)=C(F)C=C1F)C1=NC=NC(=C1)C1=CC=CC(=C1)S(C)(=O)=O
DB08165	NS(=O)(=O)C1=CC=C2CCCC2=C1
DB08166	[H][C@@]1(C#N)C2=C(N(C)C3=CC(Cl)=CC=C23)C(=O)NC11CCNCC1
DB08167	CN(C)C1=CC2=[S+]C3=CC(=CC=C3N=C2C=C1)N(C)C
DB08168	CC1=CC(=O)OC2=C1C=CC(N)=C2
DB08169	O\C(C1CC1)=C(\C#N)C(=O)NC1=CC=C(C=C1)C1=CC=CC=C1
DB08170	[H][C@]1(N(CCC2=CC(O)=C(OC)C=C12)S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)NO
DB08171	OC(=O)CCCCCCCCCCS
DB08172	COC1=CC=CC=C1C1=CC(Cl)=C(NC(=O)C(\C#N)=C(\C)O)C=C1
DB08173	ClC1=CC=C(S1)C(=O)NCCNC(=O)C1=CC=C(C=C1)N1C=CC=CC1=O
DB08174	[H][C@]1(CCC[C@]1([H])NC(=O)C1=CC=C(C=C1)N1C=CC=CC1=O)NC(=O)C1=CC=C(Cl)S1
DB08175	COC(C)(C)CCC[C@@](C)([H])C\C=C\C(\C)=C\C(O)=O
DB08176	[H]N=C([H])C(=C)CCC1=CC=C(F)C=C1
DB08177	[H]\C(C1=CC=C(O1)C1=CC=C(Cl)C=C1)=C1/SC(=S)N(CCC(O)=O)C1=O
DB08178	COC1=C2C(NC=C2C2=NC(N)=NC=C2)=NC=C1
DB08179	COC(=O)C1=C(C)C=C(OC2=C(O)C(O)=CC(C)=C2)C=C1O
DB08180	CN(CCO[P@@](O)(=O)OP(O)(O)=O)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C
DB08181	CC1=CC(=CC=C1O)\N=N\C1=CC=CC=C1C(O)=O
DB08182	CCCOC1=C2C(NC=C2C2=NC(N)=NC=C2)=NC=C1
DB08184	CC1=C(C=CC=C1)C1=CC2=C(N1)C=CC(=C2)C(N)=N
DB08185	[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=C2N=C(SC)N=C3NCCC(C)C)[C@]([H])(O)[C@]1([H])O
DB08186	CN1C=C(\C=C\C(C)=O)C2=CC=CC=C12
DB08187	CN[C@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](N)CC1
DB08188	CCOCN1C(=O)NC(=O)C(C(C)C)=C1CC1=CC=CC=C1
DB08190	COC1=CC=C2NC(I)=C(CCNC(C)=O)C2=C1
DB08191	OC(=O)C1=CC=C(C=C1)C1=CNC2=C1C=C(C=N2)C1=CC=CC=C1
DB08192	[H][C@]1(CC2=C(CN1)C=CC=C2)C1=NC(C(O)=O)=C(S1)C(C)C
DB08193	OC(=O)CC1=CC(=CC=C1)[N+]([O-])=O
DB08194	CC1=NC(N)=NC2=C1CSCC2
DB08195	[H][C@@](CS(=O)(=O)CC1=C(OC(F)F)C=CC=C1)(OC(=O)N1CCOCC1)C(=O)NCC#N
DB08196	COC1=CC(=CC(OC)=C1O)\N=N\C1=CC=CC=C1C(O)=O
DB08197	[H][C@]1(C\C(=N/O)C2=C(C1)N=C(N)N=C2C)C1=CC=C(F)C=C1C1=CC=CN=C1
DB08198	[H][C@@]1(NC(=S)N(C)C(C)=C1C(=O)C1=CC=CC=C1)C1=CC(O)=CC=C1
DB08199	[H][C@@](CS)(NC(=O)OCC1=CC=CC=C1)C(=O)NCC(O)=O
DB08200	CCCCCCP(O)(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
DB08201	CCCCCCP(O)(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C
DB08202	CN1CCN(CC1)NC(=S)NC1=CC=C(C=C1)S(N)(=O)=O
DB08203	COCC(COC)N1C=CC2=C1C=CC1=NC(N)=NC(N)=C21
DB08204	OC1=CC=C(C=C1)C1(OC(=O)C2=CC=CC3=C(C=CC1=C23)[N+]([O-])=O)C1=CC=C(O)C=C1
DB08205	CC1=CC(=CC(C)=C1O)C1=NC2=CC=CC=C2O1
DB08206	OC1=C(Br)C=C(C=C1Br)C1=NC2=C(O1)C=CC=C2
DB08207	CC1=CC(=CC(C)=C1)C1=NC2=C(O1)C=CC=C2
DB08208	OCCONC(=O)C1=CC=C(F)C(F)=C1NC1=CC=C(C=C1F)C#C
DB08209	CN(C)C1=CC=C(C=C1)\N=N\C1=CC=CC=C1C(O)=O
DB08210	CN1C=CN=C1SC1=CC(C(=O)NC2=NC=CS2)=C(N)C=C1F
DB08211	NC(=O)C1=C(C2=CC(Br)=CC=C2N1)S(=O)(=O)N1CCCC1
DB08212	[H][C@]1(C[C@]1([H])C1=C(OC)C=CC(C(C)=O)=C1O)NC(=S)NC1=NC=C(C=C1)C#N
DB08213	[H][C@@]1(COC2=CC=CC=C2)CCCN1S(=O)(=O)C1=CC2=C(C=C1)N(C)C(=O)C2=O
DB08214	OC1=CC=C(C=C1)N1C=CN=C1
DB08215	CCNC1=NC(NC(C)(C)C)=NC(SC)=N1
DB08216	CC(C)(C)C1=CC(=CC=C1O)\N=N\C1=CC=CC=C1C(O)=O
DB08217	CC1(C)C=C(CSS(C)(=O)=O)C(C)(C)N1O
DB08218	O=N(=O)C1=CC=CC(=C1)\N=C1\N=CCC(=N1)C1=CC=CC(CN2C=NC=N2)=C1
DB08219	CC1=C(SC(N)=N1)C1=N\C(=N/C2=CC=C(C=C2)N2CCOCC2)N=CC1
DB08220	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C=C(CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(O)=O)C(=O)C1=CC=C(O)C=C1
DB08221	CC1=CC=C(NC(=O)C2=CC=CC(=C2)C(F)(F)F)C=C1NC1=NC=CC=C1C1=CC=NC=N1
DB08222	CCCCCCCCCCC[P@@](O)(=O)OC
DB08224	[H][C@]1(O)CC(=O)O[C@@]([H])(CC[C@@]2([H])[C@@]([H])(C)C=CC3=CCC[C@]([H])(O)[C@]23[H])C1
DB08226	CCCC\C(C)=C\C=C(/C)C(=O)C1=C(O)C=C(CCC\C=C\NC(=O)OC)OC1=O
DB08227	CC1(C)CC(CC(C)(C)N1O)N1C(=O)CCC1=O
DB08228	COC1=C2N(C)C(=O)C=C(C)C2=C(OC)C=C1
DB08229	[H]N([H])N(CC(O)=O)C(=O)CC([H])(O)C(=O)N(CC1=CC=CC=C1)CC1=CC=CC=C1
DB08230	OC1=CC2=C(C(O)=C1)C(=O)C=C(O2)C1=CC(O)=C(O)C(O)=C1
DB08231	CCCCCCCCCCCCCC(O)=O
DB08232	NC1=CC=C2NC(=CC2=N1)C1=CC(CC(O)=O)=CC(=C1O)C1=CC=CC(=C1)[N+]([O-])=O
DB08233	OC1=CC=C(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)C=C1
DB08234	CCC1=NC(N)=NC(N)=C1C#CCC1=CC(OC)=CC=C1OC
DB08235	CC1=C(CCNC(=O)C2=CC=CS2)C2=CC=CC=C2N1
DB08236	[H][C@]1(SCC(=O)N1C1=CC(Cl)=CC=C1O)C1=CC=CC(Br)=C1
DB08237	[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=NC2=C1N=C(NCC1=CC=CC3=C1C=CC=C3)NC2=O
DB08238	NC1=CC=CC2=CC(=CC=C12)S(O)(=O)=O
DB08239	[H][C@]1(C=C(CN1C(=O)N(C)C1CCNCC1)C1=CC(F)=CC=C1F)C1=CC=CC=C1
DB08240	OP(O)(=O)OC1=C(C=C2C=CC=CC2=C1)C(=O)NC1=CC=C(Cl)C=C1
DB08241	NC(=O)C1=CC=C(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)C=C1
DB08242	CNC(=O)C1=CC(NC2=C3C=NN(C3=NC=N2)C2=CC=CC=C2)=C(C)C=C1
DB08244	[H][C@](N)(C1CC1)C(=O)N1CC(=C[C@@]1([H])C1=CC=CC=C1)C1=CC(F)=CC=C1F
DB08245	[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=CC2=CC(=CC=C12)[N+]([O-])=O
DB08246	[H][C@]1(C=C(CN1C(=O)N(C)C)C1=CC(F)=CC=C1F)C1=CC=CC=C1
DB08247	CC(C)C1=NC2=C(OCC3CCCCC3)N=C(N)N=C2N1
DB08248	NS(=O)(=O)C1=CC=CC(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)=C1
DB08249	CCCCCCCCOCCOCCOCCOCCOCCO
DB08250	CCNC(=O)N1N=C(C[C@@]1(CCCN)C1=CC=CC=C1)C1=C(F)C=CC(F)=C1
DB08251	[H][C@@](CC(O)=O)(NC(=O)C1=CN=CC(=C1)C1=CC=C(C=C1)C(O)=O)C=O
DB08252	OC(=O)C1=CC=CC=C1\N=N\C1=C2C=CC=CC2=C(O)C=C1
DB08253	[H][C@](N)(CC1=CC=CC2=C1C=CC=C2)C(N)=O
DB08254	OS(=O)(=O)C1=CC2=C(C=CC=C2)C=C1
DB08255	[H][C@]12O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])N=C(CCC)S2
DB08256	OC(=O)CNC(=O)NC1CCCCC1
DB08257	OC(=O)CCCNC(=O)NC1CCCCC1
DB08258	OC(=O)CCCCCNC(=O)NC1CCCCC1
DB08259	OC(=O)CCCCCCNC(=O)NC1CCCCC1
DB08260	[H][C@@]12CO[C@@]([H])(N1C(=S)NCCCCCCCC)[C@]([H])(O)[C@@]([H])(O)[C@]2([H])O
DB08261	[H][C@]1(O)C=C[C@@]([H])(O)[C@]1([H])OC(=O)C1=C(O)C=CC2=C(C)C=C(OC)C=C12
DB08262	OC(=O)C1=CC2=CC=C(C=C2C=C1)C(O)=O
DB08263	[H][C@](CC1=CC=CC=C1)(NC(=O)C(O)=O)C(O)=O
DB08264	[H][C@]1(O)C=CC2=C(C=CC=C2)[C@@]1([H])O
DB08265	CC1=CC=C(C=C1)S(=O)(=O)N1N=CC2=C(C=CC=C2)B1O
DB08266	[H]\C(CCC[C@@]([H])(C)C1=CC(=O)C([H])(C(=O)C(\C)=C(/[H])\C(\[H])=C(/C)CCC)C(=O)O1)=N/C(=O)OC
DB08267	NC1=NC2=C(C=C3NC=NC3=C2CCC2=CC=CC=C2)C(=O)N1
DB08268	CC1=CC=C(CCC2=C3N=CNC3=CC3=C2N=C(N)NC3=O)C=C1
DB08270	[H][C@@](CC(C)C)(N[C@@]([H])(C1=CC=C(C=C1)C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F)C(=O)NCCN
DB08271	COC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)CC(=O)NO
DB08272	[H][C@@](N)(C[C@]([H])(CC1=CC2=CC=CC=C2C=C1)C(O)=O)C(O)=O
DB08273	OC1=C(C=C(CC(=O)NCCCCCC([O-])=O)C=C1I)[N+]([O-])=O
DB08274	[H][C@](CC)(C1=CC=CC=C1)C1=C(O)C2=C(CCCCC2)OC1=O
DB08275	[H][C@@](CC1=CC=C(O)C=C1)(NC(=O)CCCCCCCCCCC)C(O)=O
DB08277	[H][C@@]12C[C@@]3([H])C[C@@](C1)(C[C@@]([H])(C2)[C@@]3([H])NC(=O)C(C)(C)OC1=C(Cl)C=C(F)C=C1)S(C)(=O)=O
DB08278	OC1=C(C(=O)N(CCC2CC2)C2=C1C=C(F)C=C2)C1=NS(=O)(=O)C2=C(N1)C=CC=C2
DB08279	[H][C@]1(C)CC[C@@]([H])(CC1)C(=O)N(C(C)C)C1=C(SC(=C1)C1=CC=CC=C1)C(O)=O
DB08280	[H][C@@]12C[C@@]3([H])C[C@@](C1)(C[C@@]([H])(C2)[C@@]3([H])NC(=O)C(C)(C)OC1=CC=C(OC)C=C1)C(N)=O
DB08281	BrC1=CC=C(NC(=S)OCCN2C(=O)C3=C(C=CC=C3)C2=O)C=C1
DB08282	ClC1=CC=C(NC(=S)OCCN2C(=O)C3=C(C=CC=C3)C2=O)C=C1
DB08283	[H][C@]1(O)CN(CCCCCCCCC)[C@]([H])(CO)[C@@]([H])(O)[C@]1([H])O
DB08284	IC1=CC=C(NC(=S)OCCN2C(=O)C3=C(C=CC=C3)C2=O)C=C1
DB08285	[H][C@@](CC)(CO)NC1=NC2=C(C=NN2C(NCC2=CC=CC=C2)=N1)C(C)C
DB08286	OC(=O)COC1=CC=CC2=CC=CC=C12
DB08287	[H][C@@]1(CS(=O)(=O)C2=CC=C(OC)C=C2)CCCC[C@@]1([H])C(=O)NCCN
DB08289	OC(=O)CCCC(=O)NC1=CC=C(CC[N+]2([O-])CCCCC2)C=C1
DB08291	NCCCNC1=CC=CC=C1[N+]([O-])=O
DB08292	OC1=CC(O)=C2C(CC(=O)CCC\C=C/CCOC2=O)=C1Cl
DB08293	OC1=CC(O)=C2C(CC(=O)CCC\C=C\CCOC2=O)=C1Cl
DB08294	OC(=O)CC1=CC(=C(O)C=C1)[N+]([O-])=O
DB08295	OC1=C(C=C(CC(=O)NCCCCCC([O-])=O)C=C1)[N+]([O-])=O
DB08296	OC(=O)CCCC[P@]([O-])(=O)OC1=CC=C(C=C1)[N+]([O-])=O
DB08297	[H][C@]1(C)O[C@@]([H])(OC2=CC=CC=C2[N+]([O-])=O)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O
DB08299	OC(=O)C1=CC=C(C=C1)C1=NC(C2=CC=CC(=C2)[N+]([O-])=O)=C2N=CC=CC2=C1
DB08300	CN1N=C(C2=C(N)N=CN=C12)C1=CC2=CC=CC=C2C=C1
DB08301	CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1=CC=C(C=C1)S(N)(=O)=O
DB08302	CCC\C(=C\C1=CC=C(O1)C1=CC(=CC=C1)C(O)=O)[N+]([O-])=O
DB08303	[H][C@@]1(NC2=CC(C)=C(C=C2S(=O)(=O)N1)S(=O)(=O)N1CCN(C)CC1)C1CCCC1
DB08304	[H][C@@]1(CC2=C(C=C(C=C2)S(=O)(=O)N2CCN(C)CC2)S(=O)(=O)N1)C1CCCC1
DB08305	[H][C@@]1(CC2=CC(C)=C(C=C2S(=O)(=O)N1)S(=O)(=O)N1CCN(C)CC1)C1CCCC1
DB08306	[H]N(C1=CC(=CC=C1)[N+]([O-])=O)S(=O)(=O)C1=C(SC=C1)C(O)=O
DB08307	OC(C1=CC=C(C=C1[N+]([O-])=O)C(F)(F)F)=C1C(=O)CCCC1=O
DB08308	[H][C@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4([H])[C@@]3([H])CC[C@]12C)OC(=O)CCC(O)=O
DB08309	OCCCNCCS(=O)(=O)C1=CC=C(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)C=C1
DB08310	[H][C@@](CCCC)(CN(O)C=O)C(=O)N1CCC[C@@]1([H])C1=NC2=C(O1)C=CC=C2
DB08312	NC1=NC(N)=C(N=O)C(OCC2CCCCC2)=N1
DB08313	COC(=O)NC1=NC2=CC=C(C=C2N1)C(=O)C1=CC=CS1
DB08314	NC1=NC=C(O1)C(=O)C1=CC(Br)=CC=C1
DB08315	NC1=NC=C(O1)C(=O)N(CC1=CC=CC=C1)CC1=CC=CC=C1
DB08316	CC1(C)CC(=O)C2=C(N)N=CN=C2C1
DB08317	CC1=C(C=CC2=NC(N)=NC(N)=C12)C1=CC=CC=C1
DB08318	NC1=NC(OCCOC2=CC=CC=C2)=NC(N)=N1
DB08319	OC1=CC=CC=C1C1=CC=CC=C1[S@@](O)=O
DB08320	[H][C@]12O[C@]([H])(C(=C1C1=CC=C(O)C=C1)C1=CC=C(O)C=C1)[C@]([H])(C(=O)OCC)[C@]2([H])C(=O)OCC
DB08321	[H][C@@]1(O)C(CO)=C[C@@]([H])(NCCCCCCCC)[C@]([H])(O)[C@@]1([H])O
DB08322	[H][C@@](CC(O)=O)(OC(=O)\C=C\C1=CC=C(O)C=C1)[C@@]([H])(OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O
DB08323	[H][C@@]1(CCNC1=O)NC(=O)CC(=O)CCCCCCCCC
DB08324	[H][C@@]1(CCOC1=O)NC(=O)CC(=O)CCCCCCCCC
DB08325	[H]N(CCO)C1=NC(N([H])C2=CC(Cl)=CC=C2)=C2N=CN(C(C)C)C2=N1
DB08326	OC1=CC2=C(C=C1)N=C(S2)C1=NC(=O)CS1
DB08327	OC(=O)CC1=CC(O)=CC=C1O
DB08328	[H][C@](O)(C(=O)NCCC(=O)NCCO)C(C)(C)COC(=O)C(C)(C)C
DB08329	NS(=O)(=O)C1=CC=C(C=C1)N1CCCCS1(=O)=O
DB08330	CO\C=C(\C(=O)OC)C1=C(\C=C\C2=CC=CC=C2)C=CC=C1
DB08331	N(C1=NC=CN1)C1=CC=C(NC2=CC=C(NC3=NC=CN3)C=C2)C=C1
DB08332	C[C@@]12OO[C@@](CCC(O)=O)(C3=C1C=CC=C3)C1=C2C=CC=C1
DB08333	OC1=CC=C(\C=N\OC(=O)C2CCCCC2)C=C1
DB08334	OC1=CC=C(\C=N\OC(=O)C2CCCCC2)C=C1F
DB08335	CC(C)(C)CC(=O)O\N=C\C1=CC=C(O)C=C1
DB08336	[H]N(C(=O)OC(C)(C)C)[C@]([H])(C(C)C)C1=NN=CO1
DB08337	[H]N(C(=O)OC(C)(C)C)[C@@]([H])(C(C)C)C1=NN=CO1
DB08338	O=C1CCCCC2=C3N=C(NC4=CC(N1)=CC=C4)N=C(NC1CC1)N3N=C2
DB08339	CN1C(=O)C(=CC2=CN=C(NC3=CC(CO)=CC=C3)N=C12)C1=C(Cl)C=CC=C1Cl
DB08340	N(C1=CC=CC=C1)C1=NC2=CC=NN2C(NC2=CC=CC=C2)=N1
DB08341	[H][C@]1(CCC[C@@]1([H])N(C)C)NC1=NC(NC2=CC=C(C=C2)S(=O)(=O)NC)=NC=C1C(F)(F)F
DB08342	[H][C@](N)(CSC(=O)CCCCCCCCCCCCCCC)C(O)=O
DB08344	[H][C@@]1(CCCN(CCC2=CC=CC=C2)C1)N(CCCOC)C(=O)C1=CC=C(Cl)C=C1
DB08345	N#CC1=C2N=C(NC3=CC=CC=C3)N=C(NCCC3=CN=CN3)N2N=C1
DB08346	OC1=CC(O)=C2C(CC(=O)CCCC\C=C\CCOC2=O)=C1Cl
DB08347	CC(C)(C)NC[C@H](O)COC1=CC=CC2=C1CC(=N2)C#N
DB08348	CN(C)CC(=O)NC1=CC2=C(NC(=O)C3=CC=CC=C23)C=C1
DB08349	CN1C2=C(C=NN2C2=C(F)C=C(F)C=C2)C(NC2=C(C)C=CC(=C2)C(=O)NC2CC2)=CC1=O
DB08350	COC1=CC=CC=C1C1=CNC2=C1C=C(C=N2)C1=CC(=CN=C1)C(=O)N(C)C
DB08351	CC1=CC=C(C=C1C1=CC2=C(C=C1)N=C(NCCN1CCOCC1)N=C2)C(=O)NC1CC1
DB08352	CC(C)NC1=NC2=C(S1)C=C(C=C2)C1=C(N=CO1)C1=CC=CC=C1F
DB08353	N#CC1=C2N=C(NCC3CCCCC3)N=C(NC3=CC=CC=C3)N2N=C1
DB08354	ClC1=CC=C(CNC2=NC3=C(C=NN3C(NC3=CC=CC=C3)=N2)C#N)C=C1
DB08355	CN1N=C(C(O)=O)C2=C1C1=NC(NC3=CC=CC=C3)=NC=C1CC2
DB08356	COC1=CC=C(C=C1)C1=C(C)NN=C1C1=C(O)C=C(O)C=C1
DB08357	CCOCCOCCOCC
DB08358	O=C1NCCC2=C1C=C(N2)C1=CC(=NC=C1)C1=CC2=C(C=CC=C2)N=C1
DB08359	CC(=O)C1=C(C)N=C(NC2=CC=CC=C2)S1
DB08360	CCN1CCN(CC1)C1=NC2=C(C=NN2C(NC2=CC=CC=C2)=N1)C#N
DB08361	[H][C@]1(N)CCCC[C@@]1([H])NC1=NC(NC2=CC=CC(C)=C2)=C(C=N1)C(N)=O
DB08362	CC(=O)NC1=CC=CC(NC2=NC3=C(C=NN3C(NC3=CC=CC=C3)=N2)C#N)=C1
DB08363	CCN1C2=CC=C(CNC)C=C2C2=C1C=CC=C2
DB08364	CCCCCCCCCC(=O)C\N=C\C1=C(COP(O)(O)O)C=NC(C)=C1O
DB08365	CN1C2=C(C(Br)=C1C(=O)NCCO)C1=C(C(=O)NC1=O)C(=C2)C1=C(Cl)C=CC=C1
DB08366	[H][C@]12C[C@]3([H])O[C@@]1(C)C[C@@]1(C2)CCC(=O)[C@@](C)(CCC(=O)NC2=C(O)C=CC(C(O)=O)=C2O)[C@]31[H]
DB08367	[H][C@@](COC(=O)CCCC)(COP(O)(O)=O)OC=O
DB08368	[H][C@](C)(C[C@]([H])(C[C@@]([H])(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O
DB08369	C(N1C=CN=C1)C1=CC=C(C=C1)C1=CC=CC=C1
DB08370	[H][C@](N)(CSCC1=CC=C(Br)C=C1)C(O)=O
DB08371	[H][C@](N)(CC1=CC=C(C=C1)C(=O)C1=CC=CC=C1)C(O)=O
DB08372	CCOC1=C(F)C(CCNC(=S)NC2=CC=C(C)C=N2)=NC=C1
DB08373	CS(=O)(=O)C1=CC(Cl)=C(C=C1Cl)C1=C(Cl)C=C(C(Cl)=C1)S(C)(=O)=O
DB08374	[H][C@](N)(CC1=CC=CC=C1)C(=O)CCl
DB08375	CO\N=C(/C(=O)N[C@H](C=O)[C@H]1SCC(=C)C(=N1)C(O)=O)C1=CSC(N)=N1
DB08376	[H][C@@](COC(=O)CCCCCC)(COP(O)(O)=O)OC(=O)CCCCCC
DB08377	C[C@@H](NC(=O)CCCP(O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O)C(O)=O
DB08378	[H][C@](O)(CCC(O)=O)NC1=CC=C(C=C1)N1C(=O)CCC1=O
DB08379	FC1=C(CC2=NNC(=O)C=C2)C=CC(Cl)=C1OC1=CC=CC=C1
DB08382	[H][C@]1(CN[C@@]([H])(C1)C(=O)N1CCC(F)(F)C1)N1CCN(CC1)C1=NC=CC=N1
DB08383	COC1=CC=C(C=C1)C1=C(N=C(N1)C1=CC=CS1)C1=CC=C(OC)C=C1
DB08384	C(OC1=CC=C(C=C1)C1=NNC=C1CC1=CC=NC=C1)C1=NC2=CC=CC=C2C=C1
DB08385	OC(=O)N1CCC(CC2=CN=C3C=CC=CC3=C2)CC1
DB08386	C(OC1=CC=C(C=C1)C1=NNC=C1C1=CC=NC=C1)C1=CC=C2C=CC=CC2=N1
DB08387	CN1C=C(C(=N1)C1=CC=C(OCC2=NC3=CC=CC=C3C=C2)C=C1)C1=CC=NC=C1
DB08388	CCOCCC1(OC2=CC=C(OC3=CC=C(F)C=C3)C=C2)C(=O)NC(=O)NC1=O
DB08389	[H][C@]1(CCN(C1)C1=NC=NC2=CC(OC)=C(OC)C=C12)OC1=CC2=CC=CC=C2C=C1
DB08390	CC(C)OC1=CC=C(CC[C@]2(CC(O)=CC(=O)O2)C2CCCC2)C=C1F
DB08391	[H][C@]1(CCN(C1)C1=NC=NC2=CC(OC)=C(OC)C=C12)OC1=NC2=CC=CC=C2N=C1
DB08392	COC1=CC=C(C=C1)C1=C(C2=C(NCCO)N=CN=C2O1)C1=CC=C(OC)C=C1
DB08393	OCCNC1=NC=NC2=C1C(=C(O2)C1=CC=CC=C1)C1=CC=CC=C1
DB08394	OC(=O)CNC(=O)CCC[P@](O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O
DB08395	CCOCN1OC(=O)C(=C1C1=CC=NC(OC2=CC=CC=C2O)=N1)C1=CC=C(F)C=C1
DB08396	OC(=O)CCCNC=C1N=C(OC1=O)C1=CC=CC=C1
DB08397	OC(=O)C1=CC2=C(C=C1)C=C(C=C2)C(F)(F)P(O)(O)=O
DB08398	CN1C(N)=NC2=NC=C(C=C12)C1=CC=CC=C1
DB08399	OC1=CC(\C=C\C2=CC=C(O)C(O)=C2)=CC(O)=C1
DB08400	OC(=O)N1CCC(CC2=CC(OC3=NC=C(C=C3)C(F)(F)F)=CC=C2)CC1
DB08401	[H][C@@](CO\N=C(/CCC(O)=O)C(O)=O)(NC(=O)COC1=CC=CC=C1)C(O)=O
DB08402	OC(=O)C1=C(NC(=O)C2=C(Cl)C=C(Cl)C=C2)C=CC(OC2=NC=CC=N2)=C1
DB08403	[H][C@@](CC(C)C)(CC(=O)NO)C(=O)N[C@@]([H])(CC1=CC=CC=C1)C(=O)NC
DB08404	[H][C@](O)(C(=O)NCCC(=O)NCCSC(=O)CCCCC)C(C)(C)CO[P@]([H])(O)=O
DB08405	[H][C@](O)(C(=O)NCCC(=O)NCCSC(=O)CCCCCC)C(C)(C)CO[P@]([H])(O)=O
DB08406	NC1=NC2=C(N=C(CN3C4=CC=CC=C4C=CC4=CC=CC=C34)C=N2)C(N)=N1
DB08407	[H][C@]12C[C@]3([H])O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)NC2=C(O)C(=CC=C2O)C(O)=O)[C@]31[H]
DB08408	[H][C@](O)(C(=O)NCCC(=O)NCCS)C(C)(C)COC(=O)C(C)(C)C
DB08409	OC(=O)CNC(=O)CCC[P@@](O)(=O)OCC1=CC=C(C=C1)[N+]([O-])=O
DB08410	OC(=O)CNC(=O)CCCC(=O)NCC1=CC=C(C=C1)[N+]([O-])=O
DB08411	[H][C@@](C)(NC(=O)CCC[P@](O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O)C(O)=O
DB08412	OC(=O)CCCCCNC(=O)CCC[P@](O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O
DB08413	C[P@](O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O
DB08414	[H][C@@](C)(SC1=NC(N)=CC(Cl)=N1)C1=NC=C2OC=CC2=C1
DB08416	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=C(C=C(OC)C(OS(N)(=O)=O)=C4)[C@@]3([H])CC[C@]12C)OS(N)(=O)=O
DB08418	[H][C@]12CC[C@]3(C)C(=O)N(CC4=CC=CN=C4)C(=O)C[C@@]3([H])[C@]1([H])CCC1=C2C=CC(OS(N)(=O)=O)=C1
DB08419	[H][C@](CC)(COC1=CC=CC=C1)O[P@](C)(Cl)=O
DB08420	[H][C@@](N)(CC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])(CC1=CC(=CC=C1)C#N)B(O)O
DB08421	[H][C@]1(CCCCN1)C(=O)NC(C)(C)C
DB08422	[H][C@@](N)(CC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCCNC1=CC=NC=C1
DB08423	NC1=C(C=NN1C1=CC=C(F)C=C1)C(=O)C1=CC(OC2CCNCC2)=CC=C1
DB08424	[H][C@](O)(CO)COC1=CC(=CC=C1)C(=O)C1=C(N)N(N=C1)C1=CC=C(F)C=C1
DB08426	[H][C@@]1(CCN(CC2=CC3=C(N2)C=NC=C3)C1=O)NS(=O)(=O)C1=CC2=C(S1)C=CC=N2
DB08427	[H][C@]1(O)C=C[C@](CC(=O)C(O)=O)(C=C1)C(O)=O
DB08428	[H][C@@](C)(O)[C@@]([H])(N)CC1=CC=CC=C1
DB08429	[H][C@](N)(CC(=O)N1CCC[C@@]1([H])CNC(=O)C1=CC=CC(=C1)S(C)(=O)=O)CC1=CC(Cl)=CC=C1
DB08430	[H][C@]1(CO)O[C@@]([H])(SC2=CC=C(C=C2)[N+]([O-])=O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O
DB08431	[H][C@](C)(C(=O)C[P@]([H])(O)=O)[C@@]([H])(O)CC
DB08432	[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=S)N1C=C(C)C(=O)NC1=O
DB08433	C=CS(=O)(=O)OC1=CC=CC=C1
DB08434	[H][C@]1(C(O)=O)[C@]([H])(C(=O)NC)[C@]1([H])C1=CC=C(OP(O)(O)=O)C=C1
DB08435	[H][C@]1(C\C=C\CCCC(O)=O)C=CC(=O)\C1=C/C=C/CCCCC
DB08436	CCCCN1C(CC2=CC3=C(OCO3)C=C2)=NC2=C(N)N=CN=C12
DB08437	[H][C@](N)(CC1=CC=C(OC)C=C1)C(=O)N[C@]1([H])[C@@]([H])(CO)O[C@@]([H])(N2C=NC3=C(N=CN=C23)N(C)C)[C@]1([H])O
DB08438	[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)[C@@]([H])(O)C(\O)=C(\O)C(O)=O
DB08439	CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C1=C(C)ON=C1C1=CC=CC=C1
DB08440	CC(=O)NC1=C2C=CC=NC2=C2N=CC=CC2=C1
DB08441	BrC1=C2NCCCNS(=O)(=O)C3=CC=CC(NC(N=C1)=N2)=C3
DB08442	[H][C@@]1(CCCN1C(=O)C1=C(O)C=C(O)C=C1)C1=CC=CC=C1C
DB08443	OC1=CC(O)=C(C(=O)N2C=CC=C2)C(O)=C1
DB08444	CC1=CC(=CC(OC2=C(Br)C=C(CC3=NNC4=NN=CC=C34)C=C2)=C1)C#N
DB08445	[H][C@]1(N)CN(C[C@]1([H])C1=C(F)C=C(F)C(F)=C1)C1=CC(=NC=N1)C1=CC=C(OC)N=C1
DB08446	FC1=C(CC2=NNC3=NN=CC=C23)C=CC(Br)=C1OC1=CC(=CC(Cl)=C1)C#N
DB08447	CN(C)CC1=CNC2=C1C=CC=C2CCCO
DB08448	[H][C@]12C=CCC=C1C=CC1=CC(O)=CC=C1N2CC1=NC2=C(N)N=C(N)N=C2N=C1
DB08449	OC(=O)CN1C=C(CC2=NC3=C(S2)C(F)=CC(F)=C3F)C2=CC=CN=C12
DB08450	CC1=CC=CC(=N1)C1=NC(NC2=CC=C3NN=CC3=C2)=C2C=CC=CC2=N1
DB08451	CS(=O)(=O)NC1=CC=CC2=C1N=CC=C2
DB08453	CCCCCCCCCC1=[N+]([O-])C2=CC=CC=C2C(O)=C1
DB08454	CC1=CC(NC2=C3C=CC=CC3=NC(=N2)C2=CC=CC=C2)=NN1
DB08455	[H]/C(=C(/[H])\C(\C)=C(/[H])C(O)=O)/C(/[H])=C(\C)/C(/[H])=C(\[H])C1=C(C)C=C(O)C(C)=C1C
DB08456	CC1(C)N(O)C(C)(C)C(=C1CSS(C)(=O)=O)C1=CC=CC=C1
DB08457	CC1=C(CSCC2=CC=CO2)C(OC2=CC(C)=CC(C)=C2)=C(I)C(=O)N1
DB08458	CN(C\C=C\COC1=CC=C(C=C1)C(=O)C1=CC=C(Br)C=C1)C1CC1
DB08459	ClC1=CC(OC2=C(Cl)C=CC(OCC3=NNC4=NC=CC=C34)=C2)=CC(=C1)C#N
DB08460	NC1=CC=C2C(COC3=CC(OC4=CC(=CC(Cl)=C4)C#N)=C(Cl)C=C3)=NNC2=N1
DB08461	CC(C)(C)N1N=C(CC2=CC(O)=CC=C2)C2=C1N=CN=C2N
DB08462	C=CC(=O)NC1=CC=C2N=CN=C(NC3=CC=CC=C3)C2=C1
DB08463	[H][C@@](CC)(CO)NC1=NC2=C(N=CN2C(C)C)C(NCC2=CC=C(C=C2)C2=CC=CC=N2)=N1
DB08464	COC(=O)C1=C(CCC(=O)NC2=C(O)C=C(OC)C(O)=C2)C(Cl)=C(O)C=C1O
DB08465	COC1=CC(N)=C(OC)C(CCOC(=O)C2=C(O)C=C(O)C(Cl)=C2)=C1OC
DB08466	OC1=CC=C(CCC2=CC(O)=CC(O)=C2)C=C1
DB08467	O=C(O)\C=C(/C)\C=C\C[C@]1(C)CC2=C(CCCC2(C)C)C1=C
DB08469	CC(C)(C)OC(=O)N1CCC(CC1)C1=NC(=NO1)C1=CC=CS1
DB08470	FC1=CC=C(C=C1)C1=NN=C(N1)C1=CC=CC=C1
DB08471	O=C(CC1=CC=CS1)N1CCC(CC1)C1=NC(=NO1)C1=CC=CS1
DB08472	CNCC[C@@H](OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1
DB08473	[H][C@]1(CO)O[C@@]([H])(N2C=NC3=CC(Cl)=C(Cl)C=C23)[C@]([H])(O)[C@]1([H])O
DB08474	[H][C@](CC(=O)NC(CC)CC)(C(N)=O)C(C)(C)C
DB08475	CC1(C)OC[C@@H](COP(O)(=O)CCCCC=C)O1
DB08476	[H][C@]1(N)CCCCCCCCCCNC1=O
DB08478	[H]N([H])C(\N=C(N([H])[H])N([H])[H])=N/C1=C(Cl)C=CC(=C1)C(F)(F)F
DB08479	COC1=CC(OC)=CC(NC(=N)NC(N)=N)=C1
DB08480	[H][C@]1(CCC2=C1C=CC=C2O)\N=C\C=C
DB08481	[H]N(C1=NC(=O)\C(S1)=C\C1=CC=C(C)O1)S(=O)(=O)C1=CC=C(C)C=C1
DB08482	[H][C@@](C)(NC(=O)[C@]([H])(CC(C)C)NC(=O)[C@]([H])(CC(C)C)CC(=O)NO)C(=O)OCC
DB08484	NC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCS
DB08485	[H][C@@]1(O)C[C@@](O)(C=C(C2=CC=CC(SC3=CC=CC=C3)=C2)[C@@]1([H])O)C(O)=O
DB08486	CC1=CC(NC(=O)CC2=CC=C(OC(C)(C)C(O)=O)C=C2)=CC(C)=C1
DB08487	NC(=N)C1=CC(CN2CCN(CC2=O)S(=O)(=O)C2=CC3=C(S2)C=C(Cl)C=C3)=CC=C1
DB08488	ClC1=CC=C(S1)\C=C\S(=O)(=O)N1CCN(CC2=CC3=C(N2)C=CN=C3)C(=O)C1
DB08489	[H][C@@](CC(C)C)(CC(=O)NO)C(=O)N[C@@]1([H])CC2=CN(CCCCCCNC1=O)C1=C2C=CC=C1
DB08490	ONC(=O)C1(CS(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)CCOCC1
DB08491	ONC(=O)CC1(CCOCC1)S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1
DB08492	CCCCCCC#CC1=CC=CC=C1\C=C\C(O)=O
DB08493	[H][C@@](CC(C)C)(CC(O)=O)C(=O)N[C@@]1([H])CC2=CN(CCCCCCNC1=O)C1=C2C=CC=C1
DB08494	CC1=CC2=C(C=C1)N(CCC2)C(=O)SCC(=O)NC1=C(Cl)C=C(C=C1)S(N)(=O)=O
DB08495	NC(=N)C1=CC=C(CN2CCN(CC2=O)S(=O)(=O)C2=CC3=C(S2)C=C(Cl)C=C3)C=C1
DB08496	[H][C@@](CC(C)=O)(C1=CC=CC=C1)C1=C(O)C2=CC=CC=C2OC1=O
DB08497	[H][C@@](OC(C)=O)(C(=O)NC1=CC=CC2=C1C(=O)C(=O)NC2=O)C1=CC=CC=C1
DB08498	[H][C@@](OC(C)=O)(C(=O)NC1=CC=CC2=C1C(=O)C(=O)NC2=O)C1=CC=CC(Cl)=C1
DB08499	FCCOC1=CC=CC(NC(=O)CCC(=O)NC2=CC=C3C(=O)NC(=O)C(=O)C3=C2)=C1
DB08500	[H][C@]1(C[C@]2(ON1)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)C1=CC2=CC=CC=C2C=C1
DB08501	CCOC(=O)NCCCNC(=O)OCC
DB08502	CC(C)C1=C(SC2=CC(Cl)=CC(Cl)=C2)N(CC2=CC=NC=C2)C(COC(N)=O)=N1
DB08503	[H][C@]1(C[C@]2(ON1)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)C1=CC=C(C)C=C1
DB08504	[H][C@@](N)(C(=O)N1CC[C@]([H])(F)C1)[C@@]([H])(C(=O)N(C)C)C1=CC=C(C=C1)C1=CN2N=CN=C2C=C1
DB08505	[H][C@@](CC1=CC=C(Br)C=C1)(NC(=O)CCCCCCC(=O)NO)C(=O)OC
DB08506	[H][C@@](C)(N)[P@@](O)(=O)C[C@@]([H])(CC1=CC=CC=C1)C(=O)N[C@@]([H])(CC1=CC=CC=C1)C(O)=O
DB08507	[H][C@](CC(C)C)(N(CC1=CC=CC=C1)[P@](C)(=O)C1=CC=CC=C1)C(=O)NO
DB08508	[H][C@](C)(NC(=O)C1=CC=CC=C1)C(O)=O
DB08509	COC1=CC(Cl)=C(OCCCCCCN2C=CN=C2)C=C1
DB08510	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@]([H])(CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCC(O)=O)C(C)=O
DB08511	CC1=NC2=C(N1)C=C1C(=O)NC(N)=NC1=C2
DB08512	NC1=NC2=CC3=C(C=C2C(=O)N1)N=C(NCC1=CC=CC2=CC=CC=C12)N3
DB08513	CC1=CC(NC2=NC(NC3=CC=C(CC(O)=O)C=C3)=NC=C2C(N)=O)=CC=C1
DB08514	NC1=NC2=CC3=C(NC(NCC4=CC=CS4)=N3)C=C2C(=O)N1
DB08515	[H][C@](O)([C@@]1([H])CCCC=C1)[C@]1(NC(=O)[C@]2([H])CCO[C@]12C)C=O
DB08516	[H][C@@](C)(\N=C\C1=CC=C(OCC2=CC(F)=CC=C2)C=C1)C(N)=O
DB08517	[H][C@]1(CC(=O)C2=C(O1)C=C(OC)C=C2O)C1=CC=C(O)C=C1
DB08519	COC1=CC(NC2=NC=CC(NC3=CC=C4C(C)=NNC4=C3)=N2)=CC(OC)=C1OC
DB08520	[H][C@@]12CCCCN1C(=O)C(=O)C(C)(C)COC(=O)CCCCCCCCCCCOC2=O
DB08521	C[S@@](=O)C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC=NC=C1)C1=CC=C(F)C=C1
DB08522	FC1=CC=C(C=C1)C1=C(N(CC2CC2)C=N1)C1=CC=NC=C1
DB08523	OCN(O)CCCC1=CC=CC=C1
DB08524	ON(CCOC1=CC=CC(=C1)C(=O)C1=CC=CC=C1)C=O
DB08525	CC1=NC(CCCN(O)C=O)=CC=C1
DB08526	[H][C@@](O)(COC)[C@]([H])(CC(C)C)NC(=O)[C@]([H])(CC(C)C)NC(=O)OCC1=CC=CC=C1
DB08527	NC(=O)C1=NN(C2=C1C=CC1=C2C=NN1)C1=CC=C(C=C1)S(N)(=O)=O
DB08528	CC1=CC(=CC(C)=C1)S(=O)(=O)C1=C(C#N)C(N)=CC=C1
DB08529	CCCCC\C=C\CC(C\C=C\CCCCC)(P(O)(O)=O)P(O)(O)=O
DB08530	CN1C2=C(N(CC3=CC=CC=C3)C(=N2)N2CC[NH2+]CC2)C(=O)N(C)C1=O
DB08531	ClC1=CC=CC(=C1Cl)C1=NC2=CC=NN2C(NCC2=CC=NC=C2)=C1
DB08532	FC1=CC=CC=C1C1=CN2C=CN=C2C(NCC2=CC=CN=C2)=N1
DB08533	CC1=CN=C2N1C=CN=C2NCC1=CC=NC=C1
DB08534	FC1=CC=CC=C1C1=NC2=CC=NN2C(NCC2=CC=NC=C2)=C1
DB08535	BrC1=C2N=C(C=C(NCC3=CC=CN=C3)N2N=C1)C1=CC=CC=C1
DB08536	BrC1=C2C=C(C=C(NCC3=CN=CN=C3)N2N=C1)C1=CC=CC=C1
DB08537	BrC1=CN=C2N1C=C(C=C2NCC1=CN=CN=C1)C1=CC=CC=C1
DB08538	CCC1=C2N=C(C=C(NCC3=CN=C(N)N=C3)N2N=C1)C1=C(F)C=CC=C1F
DB08539	C(NC1=CC(=NC2=C(C=NN12)C1CC1)C1=CC=CC=C1)C1=CN=CC=C1
DB08540	CCOC(=O)C1=CSC(=N1)N1CCN(CC1)C1=NC2=CC=CC=C2SC1
DB08541	[H][C@@]1(CC(O)=O)CC2=CC3=C(C(O)=CC=C3)C(=O)C2=C(C)O1
DB08542	[H][C@@]12CCC(=O)[C@@]1(C)CCC(=O)[C@@]2([H])CCC1=C(O)C(O)=CC=C1C
DB08543	[H][C@@](O)(COC1=CC=C(C=C1)C1CCCCC1)CN1CCN(CC1)C1=CC=CC=N1
DB08544	CNCC[C@H](OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1
DB08545	[H][C@@](C)(OP(O)(=O)CC1=CC=C(C=C1)N=C(C)[O-])C1=CC=CC=C1
DB08546	[H][C@]1(O)C[N@]2[C@@]([H])(C1)[C@]1([H])C(=O)N(CC3=CC=C4OCOC4=C3)C(=O)[C@]1([H])[C@]2([H])C1=CC=C(C=C1)C(N)=N
DB08547	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@]([H])(C[C@]12C)OC(=O)CCC(O)=O)C(C)=O
DB08548	CC1(C)OC[C@H](COP(O)(=O)CCCCC=C)O1
DB08549	[H][C@]1(CC2=C(CN1C(=O)OCC1=CC=CC=C1)C=C(NS(O)(=O)=O)C=C2)C(=O)NC
DB08550	ClC1=CC=C2CCNCC2=C1Cl
DB08551	[H][C@@](NC(=O)CC1=CC=CS1)(B(O)O)C1=CC(=CC=C1)C(O)=O
DB08552	[H][C@@](NC(=O)CC1=CC=CS1)(B(O)O)C1=CC=CC=C1
DB08553	O\N=C1/CCC2=CC(=CC=C12)C1=CN(N=C1C1=CC=NC=C1)C1CCNCC1
DB08554	[H][C@@](CCC)(NC(=O)CCC(O)=O)C(O)=O
DB08555	COC1=CC2=C(C=C1Cl)C(=NCC2)C1=CC=CC(Br)=C1
DB08556	CC(=O)C1=CC=C(S1)C1=CC(NS(=O)(=O)C2=CC=C(C)C=C2C)=C(S1)C(O)=O
DB08557	COCCNC1=CC(=CC=C1C(N)=O)N1C2=C(C3=CC=CC=C13)C(=O)CCC2
DB08558	[H][C@]1(CO)O[C@@]([H])(SCCCCCCCC)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O
DB08559	[H][C@@]1(NC(=O)CC2=CC=CC=C2)C(=O)[N@]2[C@]1([H])[S@@]([H])(O)C(C)(C)[C@]2([H])C(O)=O
DB08560	FC1=CC=C(C=C1)N1N=C(C=C1NS(=O)(=O)C1=CC=CC(F)=C1)C1=CC=CS1
DB08561	O=C(OCC1=CC=CC=C1)C1=CN2C(S1)=CC(=O)N(CC1=CC=CC=C1)C2=O
DB08562	OC(=O)CCCC(=O)NC1=CC=C(\C=C\C2=CC=CC=C2)C=C1
DB08564	CN(C)C\C=C\C(=O)NC1=CC=C2N=CN=C(NC3=CC(Br)=CC=C3)C2=C1
DB08565	[H]N([C@@H](CC1=CC=CC2=CC=CC=C12)[B-](O)(O)O)C(C)=O
DB08566	[H]N(C(C)=O)[C@]([H])(CC1=C2C=CC=CC2=CC=C1)[B-](O)(O)O
DB08568	[H][C@@](N)(COC1=CC(=CN=C1)C1=CC=C2NN=C(C)C2=C1)CC1=CC=CC=C1
DB08569	[H][C@@](N)(COC1=CN=CC(=C1)C1=CC2=C(NN=C2C)C=C1)CC1=CC=C(Br)C=C1
DB08570	CC(=O)NC1=C(O)C=C(C=C1[N+]([O-])=O)C(O)=O
DB08571	CC(=O)NC1=C(N)C=C(C=C1O)C(O)=O
DB08572	NC(=O)C1=CC=C(NC2=NC(OCC3CCCCC3)=C(N=O)C(N)=N2)C=C1
DB08573	OC(=O)C1=C(C=CS1)S(=O)(=O)NC1=CC=C(Cl)C=C1
DB08574	FC(F)(F)C1=CC=C(C[C@H]2SC(=S)NC2=O)C=C1
DB08575	[H][C@](CS)(CC1=CC=CC=C1)C1=NC2=C(N1)C=C[NH+]=C2
DB08576	CNCC(=O)C1=NN=C(O1)C(C)(C)C
DB08577	CC1=CNC(\C=C2/C(=O)NC3=CC=CC=C23)=C1CCC(O)=O
DB08578	OC(=O)CCC(=O)NC1=CC=C(Br)C=N1
DB08579	[H][C@]1(C)CN(C[C@@]([H])(C)C1)C(=O)C1=CC(Br)=CC=C1N
DB08580	[H][C@]1(CC2=C(Cl)C=CC=C2)CCCN1C(=O)C1=CC(Br)=CC=C1N
DB08581	[H][C@]1(C)CN(C[C@@]([H])(C)C1)C(=O)C1=CC(Br)=CC=C1NC(=O)CCC(O)=O
DB08582	[H][C@]1(C)CN(C[C@@]([H])(C)C1)C(=O)C1=C(NC(=O)CCC(=O)N2CCOCC2)C=CC(Br)=C1
DB08583	CCN1N=CC=C1C1=CNC2=NC=C(C=C12)C1=CC(C(=O)N(C)C)=C(N)C=C1
DB08584	CN1C=C(C=N1)C1=NN2C(SC3=CC=C4N=CC=CC4=C3)=NN=C2C=C1
DB08585	[H][C@@](O)(C(=O)NCCC(=O)NCCSC(=O)CCCCC)C(C)(C)COP(O)(O)=O
DB08586	[H][C@@](O)(C(=O)NCCC(=O)NCCSC(=O)CCCCCCC)C(C)(C)COP(O)(O)=O
DB08587	COC1=CC(\C=C\C(O)=O)=CC(OC)=C1O
DB08588	[H][C@@]1(N)CCCN(C1)C1=NC2=C(C=CC=C2)C(=O)N1CC1=C(C=CC=C1)C#N
DB08589	COC(=O)C1=CC(OC)=C(O)C(OC)=C1
DB08590	CC(C)(C)C(=O)OC1=CC=C2N(CCCO)C(NC(=O)C3=CC(=CC=C3)[N+]([O-])=O)=NC2=C1
DB08591	COC1=CC=C(C=C1N1CC(=O)NS1(=O)=O)C1=CC=CC=C1
DB08593	O=C1CN(C2=CC=CC=C2)S(=O)(=O)N1
DB08594	CN(NC(=O)OC(C)(C)C)C#N
DB08595	[H][C@]12CC=C(C)[C@]([H])(C1)[C@@]([H])(OC2(C)C)C1=CC=C(O)C=C1
DB08596	[H][C@]1(O)C[C@@]([H])(O[C@]1([H])CN1CCCCC1)N1C=C(C)C(=O)NC1=O
DB08597	C(CN1CCCCC1)OC1=CC=C(C=C1)C1=CN2N=CC(=C2N=C1)C1=CC=NC=C1
DB08598	[H][C@]1(C)CN2C(=S)NC3=C2C(CN1CC=C(C)C)=CC(Cl)=C3
DB08599	[H][C@](C)(NS(=O)(=O)C1=CC=C(OC)C=C1)C(O)=O
DB08600	[H][C@]1(C)CN2C(=S)NC3=C2C(CN1CC=C(C)C)=C(Cl)C=C3
DB08601	CCCC[Sn](CCCC)CCCC
DB08602	CSC1=NC2=CC=CC=C2C(=O)N1C1=C(F)C=CC=C1F
DB08603	[H][C@@](CCCCN)(NS(=O)(=O)C1=CC=C(C)C=C1)C(=O)CCl
DB08604	OC1=CC(Cl)=CC=C1OC1=C(Cl)C=C(Cl)C=C1
DB08605	CCCS(=O)(=O)N1N=CC2=C(C=C(C)S2)B1O
DB08606	[H][C@]1(O)CN(CC2=CNC3=C(N)N=CN=C23)C[C@]1([H])CSC
DB08607	[H][C@]1(CC2=CC=C(OC[C@@]3(C)CCC4=C(C)C(O)=C(C)C(C)=C4O3)C=C2)SC(=O)NC1=O
DB08608	[H][C@@]1(C)CN(C(=O)[C@@](C)(O)C(F)(F)F)[C@@]([H])(C)CN1C(=O)C1=CC=C(C=C1)C#N
DB08609	[H]N(C(=O)C(C)(O)C(F)(F)F)C1=C(C)C=C(C=C1)S(=O)(=O)N(CC)C1=CC=CC=C1
DB08610	CC(C)C1=CC=C(COC2=C(Cl)C=C(CC(=O)NCCN)C=C2)C=C1
DB08611	OCCOC1=C(C=CC=C1)C1=C(F)C(F)=C(F)C=C1
DB08612	CCCCCCCCSCC(=O)C(F)(F)F
DB08613	OC(O)(C1=CC=C(S1)C(=O)N1CCN2C(C1)=NC=C2C1=CC=CC=C1)C(F)(F)F
DB08614	[H][C@](NC(=O)CN1C(=O)C(NS(=O)(=O)NC)=CC=C1C1=CC=CC=C1)(C(C)C)C(=O)C(F)(F)F
DB08615	CN(C)C1=CC=C(C=C1)C1=[N+](C)C2=CC=C(O)C=C2S1
DB08617	[H][C@](N)(CC1=CC=C(CC(F)(F)F)C=C1)C(O)=O
DB08618	[H][C@@]12CC[C@@]([H])(N1C)[C@@]([H])(C(=O)OC)[C@]([H])(C2)O[P@](O)(=O)C1=CC=CC=C1
DB08619	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCC(O)=O
DB08620	ClC1=NC=C(CN2CCS\C2=N/C#N)C=C1
DB08621	[H][C@](CO)(NC(=O)C(Cl)Cl)[C@]([H])(O)C1=CC=C(C=C1)S(C)(=O)=O
DB08622	OC1(CCN(CCCC2(SCCS2)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1
DB08623	[H][C@@](NC(=O)CC1=CC=CS1)(C(O)=O)C1=N[C@]([H])(C(O)=O)C(=C)CS1
DB08624	N[C@@H](CCCNC(N)=N)C(=O)C1=NC2=CC=CC=C2S1
DB08626	[H][C@](CS)(CC1=CC=CC=C1)C(=O)NCC(O)=O
DB08627	C\C=C\C(\C)=C\[C@@]1(C)SC(=O)C(C)=C1O
DB08628	CC1=C(O)[C@](C)(SC1=O)\C=C\C=C
DB08629	[H][C@](N)(CC(C)C)CN1CCC[N@@]2CCC[C@@]12[H]
DB08631	ClC1=CC=C(NS(=O)(=O)C2=CC=C3CCNCC3=C2)C=C1
DB08632	OC(=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O
DB08633	[H][C@]1(CC=C(C)C)O[C@]1(C)[C@@]1([H])[C@]([H])(OC)[C@@]([H])(CC[C@]11CO1)OC(=O)NC(=O)CCl
DB08634	CC(C)C1=C(CC2=CC=CC=C2)N(COCC2=CC=CC=C2)C(=O)NC1=O
DB08635	CN(CCCCC(O)=O)C1=CC=C(\C=C\C2=CC=C(C=C2)[N+]([O-])=O)C=C1
DB08636	OC(=O)C(=O)\C=C\C1=CC=CC=C1O
DB08637	[H]\C(=C(/[H])C1=CC=CC=C1OC)C(=O)C(O)=O
DB08638	[H][C@](N)(CC1=CN(OO)C2=CC=CC=C12)C(O)=O
DB08639	CC1=CC(C)=C(NC2=NC(NC3=CC=C(C=C3)C#N)=NC=C2)C(C)=C1
DB08640	[H][C@@](CC)(C=O)[C@@]([H])(CNS(=O)(=O)C1=CC=C(C)C=C1)C(O)=O
DB08641	[H][C@@](CC)(C=O)[C@@]([H])(CNS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(O)=O
DB08642	[H][C@]1(CN(C)C2=CC(OC)=C(OC)C(OC)=C2)CCC2=C(C1)C(N)=N[C@]([H])(N)N2
DB08643	[H][C@@](CS)(NCC1=CC=C(C=C1)C1=CC=CC=C1)C(=O)NCC(=O)N[C@@]([H])(C(C)C)C(=O)OC
DB08644	[H][C@@](CC)(C=O)[C@@]1([H])N(CC[C@]1([H])NS(C)(=O)=O)C(=O)[C@@]([H])(NC(=O)OC(C)(C)C)C(C)C
DB08645	[H][C@]1(NC2=CC(Cl)=C(C=C2S(=O)(=O)N1)S(N)(=O)=O)C(Cl)Cl
DB08646	[H][C@](N)(CC1=CNC2=C1C=CC(NNC1=CC=CC=C1)=C2O)C=O
DB08647	[H][C@]1(C)[C@]([H])(C(C)C)C2=C(C=C(C)C(=C2)C(=O)CCC(O)=O)C1(C)C
DB08648	[H][C@@]1(O)C=C[C@]2(C[C@]([H])(O[C@]1([H])C2)C(O)=O)C(O)=O
DB08649	[H][C@](N)(O)CC1=CNC2=CC=CC=C12
DB08651	[H][C@]1(S)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=C(C)C(=O)NC1=O
DB08652	NC(=O)CC1=CNC2=CC=CC=C12
DB08653	NCCC1=CNC2=CC=CC=C12
DB08654	[H][C@]1(N)CCC2=CC=CC=C2[C@]1([H])O
DB08655	CC(=O)N1C2=CC=CC=C2C2=C1C(=O)CCC2
DB08656	[H][C@](C)(NC(=O)C1=C(C)C=CC(N)=C1)C1=CC=CC2=C1C=CC=C2
DB08657	OC(=O)COC1=CC=C(C=C1)C1=CNC(CNC(=O)NC2=NC=C(SC3=NC=CC=C3)S2)=N1
DB08658	CCO[P@](O)(=O)N(CC)CC
DB08659	NNC(=O)C1=C(C2=C(N1)C=CC(=C2)S(N)(=O)=O)C1=CC=CC=C1
DB08660	OC1=C(O)C2=C(C=C1)C(=O)C1=C(O)C=CC(O)=C1C2=O
DB08661	[H][C@@]1(O)C[C@]([H])(O[C@@]1([H])CN1CCCC1)N1C=C(C)C(=O)NC1=O
DB08662	[H][C@](C(C)C)(C1=CC=C(Br)C=C1)C1=C(O)C2=C(OC1=O)C=CC=C2
DB08663	[H][C@](CC)(C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=C(OC)C=C2
DB08664	[H][C@](CC)(C1=CC=CC(NC(=O)CNC(=O)OC(C)(C)C)=C1)C1=C(O)C2=CC=CC=C2OC1=O
DB08665	CCN1C2=CC(=CC=C2N(C)C(=O)C2=C1N=CC=C2)[N+]([O-])=O
DB08666	FC(F)(F)C1=CC(NN=C2C(=N)N=NC2=N)=CC=C1
DB08667	FC1=CC=C(NN=C2C(=N)N=NC2=N)C=C1
DB08668	OC(=O)C1=CC(NN=C2C(=N)N=NC2=N)=CC=C1
DB08669	[H][C@@](C)(NC(=O)[C@@]([H])(O)[C@]([H])(N)C1=CC=C(C)C=C1)C(=O)N[C@]([H])(CC(C)C)C(=O)OC
DB08670	[H][C@@](C)(NC(=O)[C@@]([H])(O)[C@]([H])(N)C1=CC=C(C=C1)C(C)C)C(=O)N[C@]([H])(CC(C)C)C(=O)OC
DB08671	FC(F)(F)C1=CC=CC=C1NN=C1C(=N)N=NC1=N
DB08672	[H][C@@](C)(CCC1=CC=C(C=C1)C(N)=O)NCC(=O)C1=CC=C(F)C=C1
DB08673	CC(C)C1=CN=C(NC2=CC=C(C=C2)S(N)(=O)=O)S1
DB08674	[H][C@@]12CCN(C1=O)C1=C3C=C(OC4=C(C=CC(CN5C=NC=C5CN2)=C4)C#N)C=CC3=CC=C1
DB08675	[H]\C(CCCC(O)=O)=C(/[H])C[C@@]1([H])[C@]2([H])C[C@@]([H])(N=N2)[C@]1([H])C(\[H])=C(/[H])CCCCCC
DB08676	[H][C@]12CCN(C1=O)C1=CC=CC3=C1C=C(OC1([H])CC(CN4C=NC=C4CCN2)=CC[C@]1([H])C#N)C=C3
DB08677	[H]N(C(=O)CC1=CN=CC=C1)C1=NC=C(S1)C(C)C
DB08678	CCC1=CC=C(NS(O)(=O)=O)C=C1
DB08680	CC1=C(C=CO1)C(=S)NC1=CC(\C=N\OC(C)(C)C)=C(Cl)C=C1
DB08681	CC(C)OC(=S)NC1=CC(C(=O)OC(C)C)=C(Cl)C=C1
DB08682	CC(C)OC(=O)C1=C(Cl)C=CC(NC(=O)C2=C(C)OCCS2)=C1
DB08683	[H][C@]12CC[C@]([H])(O1)N1C3=C(C=CC=C3)C3=C4C(=O)NC(=O)C4=C4C5=C(C=CC=C5)N2C4=C13
DB08684	CCCCCCCCCCOC(S)=O
DB08685	CN1CCN(C)C2=CC(CN)=CC=C12
DB08686	[H][C@](CC)(C1=CC=CC=C1)C1=C(O)C2=C(CCCCCC2)OC1=O
DB08687	OC(=O)CNC(=O)C1=C(O)C2=CC=CC=C2C(Cl)=N1
DB08688	CCCCCCCCCC(C)=O
DB08689	COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O
DB08690	COC1=C(OC)C(=O)C(C\C=C(/C)CCC=C(C)C)=C(C)C1=O
DB08691	CCOC(=O)C1=C(\C(=C/N)C#N)C2=C(N1C)C(Cl)=C(Cl)C=C2
DB08692	[H]N(C(C)=O)[C@]([H])(CC1=CC=C(Cl)C=C1)[B-](O)(O)O
DB08693	[H]N([C@@H](CC1=CC=C(Cl)C=C1)[B-](O)(O)O)C(C)=O
DB08694	NC1=NC=CC(=N1)C1=C2C=CN=C(N)N2C2=NC=CC(O)=C12
DB08695	[O-][N+](=O)C1=CC=C(C=C1)C1=NNC=C1
DB08697	CC1=CC(=CC(C)=C1OCCN)C(=O)NC1=CC(Cl)=CC(=C1)N1CCCCC1
DB08698	[H][C@@]1(N=C(C2=CC=CC=C2)C2=CC=CC=C2N=C1N1CC(O)C1)C1=CC=CS1
DB08699	CC1=CC(CC2=NN(C3=C2C(N)=NC=N3)C(C)(C)C)=CC=C1
DB08701	OCCNC1=CC=C2C(=O)N(C(=O)C3=CC=CC1=C23)C1=CC(Br)=CC=C1
DB08702	OC(=O)C1=C(OC(=C1C(O)=O)C1=CC=CC=C1)C1=CC=CC=C1
DB08703	CC(C)OC1=CC=C2C(CCC3=C2C2=C(C=NC2=O)C2=C3N(CCO)C3=CC=CC=C23)=C1
DB08704	[H][C@]1(CO)O\C(=N/OC(=O)NC2=CC=CC=C2)[C@]([H])(NC(=O)CCCC)[C@@]([H])(O)[C@]1([H])O
DB08705	OC1=C(C=C(Br)C=C1)C1=CC(C2=CC=CC=C2)=C(C#N)C(=O)N1
DB08706	CCC1=CC=C(O1)\C=C1/SC(N[C@H](C(O)=O)C2=CC=C(F)C=C2)=NC1=O
DB08707	NC1=NC=CC(=N1)C1=CC2=C(ON=C2C=C1)C1=CC=C(Cl)C=C1
DB08708	FC(F)(F)C1=CC=CC(=C1)C1=NN=C2C=CC(NC3CCCCC3)=NN12
DB08709	OC(=O)C1=CC=CC2=C1NC(=C2C1=CC=CC=C1)C1=CC=CC=C1
DB08710	CCC1=CC=C(O1)\C=C1/SC(N[C@H](C2=NN=NN2)C2=CC=C(F)C=C2)=NC1=O
DB08711	COC(=O)C1=CC(OC)=C(O)C=C1
DB08712	OC(=O)CCCCCCCCCCOC(S)=O
DB08713	CN1N=NC(=N1)C1=CC(C)=C(OCCCC2=CC(C)=NO2)C(C)=C1
DB08714	CC1=NOC(CCCOC2=C(C)C=C(C=C2C)N2N=NC(C)=N2)=C1
DB08715	CC1=NC(=CO1)C1=CC(C)=C(OCCCC2=CC(C)=NO2)C(C)=C1
DB08717	[H][C@@]1(CC(O)=O)NC2=CC=CC=C2CN(C)C1=O
DB08718	CCC1=C(SC=C1)C1=CC(O)=C(O)C=C1
DB08719	CC1=NOC(CCCCCOC2=CC=C(C=C2Cl)C2=NCCO2)=C1
DB08720	CC1=NOC(CCCCCOC2=CC=C(C=C2)C2=NCCO2)=C1
DB08721	OCCOCOCC1=NOC(CCCCCOC2=C(Cl)C=C(C=C2Cl)C2=NCCO2)=C1
DB08722	[H][C@]1(C)COC(=N1)C1=CC=C(OCCCCCCCC2=CC(C)=NO2)C(Cl)=C1
DB08723	CC1=NOC(CCCCCOC2=C(Cl)C=C(C=C2Cl)C2=NCCO2)=C1
DB08724	[H][C@]1(C)COC(=N1)C1=CC=C(OCCCCCC2=CC(C)=NO2)C=C1
DB08725	CC[C@H]1COC(=N1)C1=CC=C(OCCCCCCCC2=CC(C)=NO2)C=C1
DB08726	CC1=NOC(CCCCCCCOC2=CC=C(C=C2)C2=NCCO2)=C1
DB08727	C[C@@H]1COC(=N1)C1=CC=C(OCCCCCCCC2=CC(C)=NO2)C=C1
DB08728	CC1=NOC(CCCOC2=C(Cl)C=C(C=C2Cl)C2=NCCO2)=C1
DB08729	CCCC1=NN(C)C2=C1N=C(NC2=O)C1=C(OCC)SC(=C1)S(N)(=O)=O
DB08730	FC1=CC(=CC(=C1)C(=O)NC1=CC=C2C=CN(CCC3=CC=NC=C3)C2=C1)N1CCOCC1
DB08731	[H][C@](CC(O)=O)(CC1=CC=CC2=CC=CC=C12)N1C(=O)C2=CC=C(C=C2C1=O)C(O)=O
DB08732	[H][C@](C)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1)C(=O)CCO
DB08733	[H][C@@](CNC(=O)C1=NC=CS1)(C(=O)NO)[C@@]([H])(CC(C)C)C(=O)N[C@]([H])(C(=O)NC)C(C)(C)C
DB08734	CC1(C)N=C(N)N=C(N)N1OCCCOC1=CC(Cl)=C(Cl)C=C1Cl
DB08735	[H][C@@](C)(O)C[C@]([H])(C1=CC=CC=C1)C1=C(O)C2=CC=CC=C2OC1=O
DB08736	[H][C@](C)(O)C[C@@]([H])(C1=CC=CC=C1)C1=C(O)C2=CC=CC=C2OC1=O
DB08737	[H][C@@]12CCC[C@]1([H])[C@@]([H])(OC1=CC=CC(O)=C21)C1=CC=C(O)C=C1
DB08738	[H][C@]1(CCCN1C(=O)CCN1C(=O)C(=NC2=CC=CC=C12)C1=CC=CC=C1)C(=O)N1CCCC1
DB08739	[H][C@]1(CC(F)(F)CN1C(=O)CCN1C(=O)C2=C(C=CC=C2)C1=O)C(=O)N1CCCC1
DB08740	[H][C@](N)(CC1CCCCC1)[C@@]([H])(O)[C@@]([H])(O)CC(C)C
DB08741	[H][C@@]1(OC2=C(OC)C(OC)=CC(CC3=C(N)N=C(N)N=C3)=C2C=C1)C1CC1
DB08742	C=C1\C(=C/C=C2\CCC[C@]3(C)[C@]([H])(CC[C@@]23[H])C#CC#CC(C)(O)C)C[C@](O)([H])C[C@@]1(O)[H]
DB08743	[H][C@@]1(N)CCCN(C1)C1=NC2=C(N1CC1=CC=CC=C1C#N)C(=O)N(C)C(=O)N2C
DB08744	COC1=CC(=O)N(C)C2=C1C=CC1=C2OCO1
DB08745	ClC1=CC=C(\C=C\S(=O)(=O)N2CCN(CC3CCN(CC3)C3=CC=NC=C3)C(=O)C2)C=C1
DB08746	ClC1=CC=C(\C=C\S(=O)(=O)N2CCN(CC3CCN(CC3)C3=CC=NC=C3)CC2)C=C1
DB08747	[H][C@]1(N(C(C)=O)C2=CC=CC(O)=C2NC2=C1C(=O)CC(C)(C)C2)C1=C(Cl)C=C(Cl)C=C1
DB08748	CN(C)C1=CC=C(C=C1)C(O)=O
DB08749	CN(C1CCCCC1)C(=O)CCN1CC2=CC(=CC=C2N=C1N)C(=O)C1=CC=CC=C1
DB08750	NCC1=CC=C(C=C1)C(=O)N1CCC2(CC1)NC1=CC=CC(F)=C1C(N)=N2
DB08751	CN(CCN(C)C1=CC=C(C2=NON=C12)[N+]([O-])=O)C(C)=O
DB08752	[H][C@@](CC1CCCCC1)(NC(=O)N1CCOCC1)C(=O)NC1(CCN(C)CC1)C#N
DB08753	CC(=O)OC1=CC=C(\C=C\C(=O)NCCC2=CC=CC=C2)C=C1OC(C)=O
DB08754	OC1=CC=C(CCNC(=O)\C=C\C2=CC=C(O)C(O)=C2)C=C1
DB08755	[H][C@@](CC1CCCCC1)(NC(=O)N1CCOCC1)C(=O)N[C@@](C)(COCC1=CC=CC=C1)C#N
DB08756	[H][C@](C)(N)[C@@]1([H])CC[C@@]([H])(CC1)C(=O)NC1=CC=NC=C1
DB08757	NNC(=O)C1=CC=C(O1)C1=CC=CC=C1Cl
DB08758	NNC(=O)C1=CN2C=CC3=C(C=CC=C3)C2=N1
DB08759	[H][C@](C)(CO)C[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C(=O)C[P@@]([H])(O)=O
DB08760	[H][C@@](CC1=CC=CC=C1)(OC1=CC=C(Cl)C=C1)C(O)=O
DB08761	[H][C@@]1(CC2=CC=C(O)C=C2)NC(=O)[C@]([H])(CC2=CC=C(O)C=C2)NC1=O
DB08762	[H][C@@](C)(NC(=O)OCC1=CC=CC=C1)C(=O)N[C@@]([H])(C)[P@](O)(=O)O[C@@]([H])(CC1=CC=CC=C1)C(O)=O
DB08763	[H][C@](NC(=O)OCC1=CC=CC=C1)(C1=CC=C(C=C1)C(N)=N)P(O)(O)=O
DB08765	NS(=O)(=O)C1=NC2=C(S1)C=C(O)C=C2
DB08766	C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(O)=O)SC1=CC=CC=C1
DB08767	COC1=CC=C(CC(N)=O)C=C1
DB08768	CC(C)=CCNC1=C2N=CNC2=NC=N1
DB08770	NC1=NC(NCCC2=CC=C(O)C=C2)=NC2=NC(=NN12)C1=CC=CO1
DB08771	CC(C)[C@H]1SC(NC2=C(F)C=CC=C2)=NC1=O
DB08772	OC(=O)CC1=NN(CC2=NC3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)C2=C1C=CC=C2
DB08773	OC1=CC=C(C=C1)C1=CC2=C(S1)C=C(O)C=C2
DB08774	[H][C@]1(CN)CN(CCO1)C1=C(C=NC2=C1C=NN2)C1=CC=CC=C1
DB08775	C[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)OCC1=CC=CC=C1)C(=O)CF
DB08776	CC(=O)NC1=NC2=C(S1)C(=O)NCCC2
DB08777	O=C1NC=NC2=C1C1=C(CCCC1)S2
DB08778	CC(C)(C)NC1=NC(N)=C(S1)C(=O)C1=CC=CC=C1
DB08779	CSC1=NC(O)=C(CC2=CC=CS2)N1
DB08780	C1CN(CCO1)C1=C2N=CNC2=NC=N1
DB08781	[H][C@]1(CN)CN(CCO1)C1=C(Br)C=NC2=C1C=NN2
DB08782	NCCC1=CC=C(C=C1)S(N)(=O)=O
DB08783	[H][C@@](CC1=CC=C(C[Se](O)=O)C=C1)(NC(=O)OC(C)(C)C)C(=O)OC
DB08784	OC(=O)C1=C(NC2=CC=C(Cl)C=C2)N=CC=C1
DB08785	CC1=CC(=O)OC2=CC=CC=C12
DB08786	COCCOC1=NC(N)=NC(C)=C1
DB08787	NC1=NC(=C(C=N1)\N=N\C1=CC=CC=C1)C1=C(Cl)C=C(Cl)C=C1
DB08788	CCOC1=CC=C(C=C1)C1=C(C#N)C(N)=NC2=C1C(N)=C(S2)C(N)=O
DB08789	CCNC(=O)C1=CC2=C(N=C(N)N=C2S1)C1=C(Cl)C=C(Cl)C=C1
DB08790	OC(=O)C1=CN(N=C1)C1=CC=CC=C1
DB08791	NC(=O)C1=CN=C2C=CN(C2=C1)S(=O)(=O)C1=CC=CC=C1[N+]([O-])=O
DB08792	CN(C(=O)C(Cl)Cl)C1=CC=C(O)C=C1
DB08794	CCOC(=O)C(C1=C(O)C2=CC=CC=C2OC1=O)C1=C(O)C2=CC=CC=C2OC1=O
DB08795	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N=[N+]=[N-])C1=CC=CC=C1)C(O)=O
DB08796	O=C(OCCOCCN1CCCCC1)N1C2=CC=CC=C2SC2=C1N=CC=C2
DB08797	NC(=O)C1=CC=CC=C1O
DB08798	CC1=C(C)N=C(NS(=O)(=O)C2=CC=C(N)C=C2)O1
DB08799	C(N(CC1=CC=CC=C1)C1=CC=CC=C1)C1=NCCN1
DB08800	CN(C)CCN(CC1=CC=C(Cl)C=C1)C1=CC=CC=N1
DB08801	CC(C1=C(CCN(C)C)CC2=CC=CC=C12)C1=CC=CC=N1
DB08802	CC(CN1C2=CC=CC=C2SC2=C1N=CC=C2)N(C)C
DB08803	CC(C)C1=C(OCC2=NCCN2)C=C(C)C=C1
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DB08809	OC(=O)C(Cl)Cl
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DB08811	CCC1C2=CC(OC)=C(OC)C=C2C(=NN=C1C)C1=CC(OC)=C(OC)C=C1
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DB08814	CC(=O)OC1=C(C=CC(=C1)C(F)(F)F)C(O)=O
DB08815	[H][C@@]12[C@H]3CC[C@H](C3)[C@]1([H])C(=O)N(C[C@@H]1CCCC[C@H]1CN1CCN(CC1)C1=NSC3=CC=CC=C13)C2=O
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DB08818	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)C1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O
DB08819	CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\C(F)(F)COC1=CC=CC=C1
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DB08830	[H][C@](O)(CO)[C@@]1([H])OC(=O)C(=O)C1=O
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DB08834	[H][C@@]12CC[C@H]([C@H](C)CCC(=O)NCCS(O)(=O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C
DB08835	CC(=O)N[C@@H](CC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
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DB08837	CC[N+](CC)(CC)CC
DB08838	NCCCCNC(N)=N
DB08839	NCCC1=CNC2=CC=C(O)C=C12
DB08840	CNC(=O)C1=CC=CN=C1
DB08841	NCCC1=CC=C(O)C=C1
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DB08844	O=C1NC2=C(N1)C(=O)NC(=O)N2
DB08845	OC(=O)CCC(=O)C(O)=O
DB08846	OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2
DB08848	OC(=O)C1=CCCNC1
DB08855	CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O
DB08858	N.N.Cl.[Pt++].CC(CCC([O-])=NCC([O-])=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
DB08860	O[C@H](C[C@H](O)\C=C\C1=C(N=C2C=CC=CC2=C1C1=CC=C(F)C=C1)C1CC1)CC(O)=O
DB08861	CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@H]1C(O)=O
DB08862	CCC(C)C(C(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(=O)O)C(=O)NC(C1=CC=C(C=C1)OS(=O)(=O)O)C(=O)NC(CCSC)C(=O)NCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC4=CC=CC=C4)C(=O)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC5=CNC=N5)NC(=O)C(CO)NC(=O)C6CCCN6C(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(CCCCN)NC(=O)C(C(C)C)NC(=O)C(C(C)CC)NC(=O)C(CO)NC(=O)C(CCSC)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(CO)NC(=O)C7CCCN7C(=O)C(C)NC(=O)C(CCCCN)N
DB08864	CC1=CC(\C=C\C#N)=CC(C)=C1NC1=CC=NC(NC2=CC=C(C=C2)C#N)=N1
DB08865	C[C@@H](OC1=CC(=CN=C1N)C1=CN(N=C1)C1CCNCC1)C1=C(Cl)C=CC(F)=C1Cl
DB08867	CN(C)C1=CC=C(C=C1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]2(O)C(C)=O)[C@@H]2CCC3=CC(=O)CCC3=C12
DB08868	CCCCCCCCC1=CC=C(CCC(N)(CO)CO)C=C1
DB08869	CC\C=C\CC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
DB08871	[H][C@@]12O[C@@]3([H])CCC4CC(=O)C[C@H]5[C@H](C[C@H]6O[C@H](C[C@@H](C)C6=C)CC[C@@H]6O[C@H](CC6=C)CC[C@@]67C[C@@H](O[C@H]1[C@@H](O6)[C@@]3([H])O4)[C@@H]2O7)O[C@H](C[C@H](O)CN)[C@@H]5OC
DB08872	CC(C)C(=O)OC(C)OC(=O)NCC1(CC(O)=O)CCCCC1
DB08873	[H][C@]12CN([C@H](C(=O)NC(CC3CCC3)C(=O)C(N)=O)[C@@]1([H])C2(C)C)C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C
DB08874	CC[C@H]1\C=C(C)\[C@@H](O)C\C=C\C=C(CO[C@@H]2O[C@H](C)[C@@H](OC(=O)C3=C(CC)C(Cl)=C(O)C(Cl)=C3O)[C@H](O)[C@@H]2OC)\C(=O)OC(C\C=C(/C)\C=C(C)\[C@@H]1O[C@@H]1OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H]1O)[C@@H](C)O
DB08875	COC1=CC2=C(C=C1OC)C(OC1=CC=C(NC(=O)C3(CC3)C(=O)NC3=CC=C(F)C=C3)C=C1)=CC=N2
DB08877	N#CC[C@H](C1CCCC1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1
DB08878	NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C=N2)C(N)=N1
DB08880	C\C(O)=C(/C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F
DB08881	CCCS(=O)(=O)NC1=C(F)C(C(=O)C2=CNC3=NC=C(C=C23)C2=CC=C(Cl)C=C2)=C(F)C=C1
DB08882	CC#CCN1C(=NC2=C1C(=O)N(CC1=NC3=C(C=CC=C3)C(C)=N1)C(=O)N2C)N1CCC[C@@H](N)C1
DB08883	O=C1N(C=C(C=C1C1=CC=CC=C1C#N)C1=NC=CC=C1)C1=CC=CC=C1
DB08884	[Gd+3].[H][C@@](CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O)(CC1=CC=C(OCC)C=C1)N(CC(O)=O)CC(O)=O
DB08887	CCOC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
DB08889	CC(C)C[C@H](NC(=O)[C@H](CCC1=CC=CC=C1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
DB08890	[H][C@]1(CSSC[C@]2([H])NC(=O)[C@H](CC3=CC=C(O)C=C3)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](N)C(=O)N3)NC2=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)NCC(=O)N1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O
DB08891	[H][C@@](CN)(CC(O)=O)C1=CC=C(Cl)C=C1
DB08892	CC(C)[C@H](OC(=O)NC[C@H](CC(O)=O)C1=CC=C(Cl)C=C1)OC(=O)C(C)C
DB08893	NC1=NC(CC(=O)NC2=CC=C(CCNC[C@H](O)C3=CC=CC=C3)C=C2)=CS1
DB08895	[H][C@@]1(C)CCN(C[C@]1([H])N(C)C1=NC=NC2=C1C=CN2)C(=O)CC#N
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DB08897	OC(C(=O)O[C@H]1C[N+]2(CCCOC3=CC=CC=C3)CCC1CC2)(C1=CC=CS1)C1=CC=CS1
DB08899	CNC(=O)C1=C(F)C=C(C=C1)N1C(=S)N(C(=O)C1(C)C)C1=CC=C(C#N)C(=C1)C(F)(F)F
DB08901	CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1
DB08903	COC1=NC2=C(C=C(Br)C=C2)C=C1[C@@H](C1=CC=CC=C1)[C@@](O)(CCN(C)C)C1=CC=CC2=C1C=CC=C2
DB08905	[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(O)C(=O)CC[C@]12C
DB08906	[H][C@@]12C[C@@H](C)[C@](OC(=O)C3=CC=CO3)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C
DB08907	[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CC=C(C)C(CC2=CC=C(S2)C2=CC=C(F)C=C2)=C1
DB08908	[H]\C(=C(\[H])C(=O)OC)C(=O)OC
DB08909	O=C(CCCC1=CC=CC=C1)OCC(COC(=O)CCCC1=CC=CC=C1)OC(=O)CCCC1=CC=CC=C1
DB08910	NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O
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DB08912	CC(C)(C)C1=NC(=C(S1)C1=NC(N)=NC=C1)C1=C(F)C(NS(=O)(=O)C2=C(F)C=CC=C2F)=CC=C1
DB08913	Cl[223Ra]Cl
DB08915	CO[C@@H](CC1=CC=C(OCCC2=C(C)OC(=N2)C2=CC=CC=C2)C2=C1SC=C2)C(O)=O
DB08916	CN(C)C\C=C\C(=O)NC1=C(O[C@H]2CCOC2)C=C2N=CN=C(NC3=CC(Cl)=C(F)C=C3)C2=C1
DB08917	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]([C@@H](CO)O)[C@H]([C@@H](C(=O)[O-])O)O)CO)CO)O)O)O)O.O.[OH-].[O-2].[Fe+3]
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DB08927	[H]N(CC)C(=O)N1CCN(CCCC(C2=CC=C(F)C=C2)C2=CC=C(F)C=C2)CC1
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DB08932	CCCNS(=O)(=O)NC1=C(C(OCCOC2=NC=C(Br)C=N2)=NC=N1)C1=CC=C(Br)C=C1
DB08933	ClC1=CC(Cl)=C(C=C1)[C@@H]1CS\C(S1)=C(\C#N)N1C=CN=C1
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DB08936	CN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1
DB08938	O.[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O
DB08939	CCOC(=O)CSCCC1NC(CS1)C(O)=O
DB08940	CC(=O)CCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1
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DB08950	OC(=NC1CCN(CCC2=CNC3=CC=CC=C23)CC1)C1=CC=CC=C1
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DB08958	CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1
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DB08961	NS(=O)(=O)C1=C(Cl)C=C(NCC2=CC=CS2)C(=C1)C1=NNN=N1
DB08962	CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N[C@@H]1[C@H](O)[C@]2(C)CC[C@H]1C2(C)C
DB08964	CCCCC(C)(C)[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC\C=C\C(=O)OC
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DB08967	CC(CN1C2=CC=CC=C2SC2=C1C=C(C=C2)S(=O)(=O)N(C)C)N(C)C
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DB09028	O=C1C=CC=C2[C@H]3CNC[C@H](C3)CN12
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DB09031	CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C
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DB09039	[H][C@](CN1CCCC1)(N=C(O)CCCCCCC)[C@]([H])(O)C1=CC2=C(OCCO2)C=C1
DB09040	C[C@@H](N1CCC(=C)CC1)[C@](O)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1
DB09041	OB1OCC2=CC(F)=CC=C12
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DB09047	[H][C@]12CN(C[C@]1([H])OCCN2)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1C#N)C(O)=O
DB09048	CN(C(=O)C(C)(C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C1=CN=C(C=C1C1=CC=CC=C1C)N1CCN(C)CC1
DB09049	COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3CC4=CC=C(O)C5=C4[C@@]2(CCN3CC=C)[C@H]1O5
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DB09060	NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O
DB09061	CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1
DB09062	[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)CSC[C@@H](N)C(O)=O)OC)C(O)=O
DB09063	CC(C)OC1=C(NC2=NC=C(Cl)C(N2)=NC2=CC=CC=C2S(=O)(=O)C(C)C)C=C(C)C(=C1)C1CCNCC1
DB09064	CC(C)(OC1=CC=C(C=C1)C1CC1(Cl)Cl)C(O)=O
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DB09068	CC1=CC=C(SC2=CC=CC=C2N2CCNCC2)C(C)=C1
DB09069	COC1=C(OC)C(OC)=C(CN2CCNCC2)C=C1
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DB09076	OC(C1=CC=CC=C1)(C1=CC=CC=C1)C12CC[N+](CCOCC3=CC=CC=C3)(CC1)CC2
DB09078	COC1=C(C=C2C(OC3=CC=C(NC(=O)NC4CC4)C(Cl)=C3)=CC=NC2=C1)C(N)=O
DB09079	COC(=O)C1=CC=C2C(NC(=O)\C2=C(/NC2=CC=C(C=C2)N(C)C(=O)CN2CCN(C)CC2)C2=CC=CC=C2)=C1
DB09080	COC1=CC=C(CC(C)(C)NC[C@H](O)C2=C3OCC(=O)NC3=CC(O)=C2)C=C1
DB09081	COC1=C(OC)C(=O)C(CCCCCCCCCCCCO)=C(C)C1=O
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DB09084	CN(C)CCCOC1=NN(CC2=CC=CC=C2)C2=CC=CC=C12
DB09085	CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C
DB09086	COC1=C(O)C=CC(CC=C)=C1
DB09087	[Al+3].[K+].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O
DB09088	CCC(C)(CN(C)C)OC(=O)C1=CC=CC=C1
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DB09090	COC1=C(OC)C=C(C[N+]2(CCOCCC3CCC4CC3C4(C)C)CCOCC2)C(Br)=C1
DB09091	[H][C@@]12CC[C@](O)(C(=O)CS)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
DB09092	CN(CCO)CC(O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C
DB09093	[H][C@]12C[C@@]3([H])[C@]([H])(N(C)C)C(O)=C(C(O)=N)C(=O)[C@@]3(O)C(O)=C1C(=O)C1=C(O)C=CC(Cl)=C1[C@@]2(C)O
DB09095	[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C
DB09096	O=C(OOC(=O)C1=CC=CC=C1)C1=CC=CC=C1
DB09097	[H][C@]12C[C@@H](CN(CCC)[C@]1([H])CC1=CC=CC(O)=C1C2)NS(=O)(=O)N(CC)CC
DB09099	C[C@@H](O)[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O
DB09101	[H][C@@](CO)(C(C)C)N1C=C(C(O)=O)C(=O)C2=C1C=C(OC)C(CC1=C(F)C(Cl)=CC=C1)=C2
DB09102	COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C1=NC=C(N1)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CN=C(N1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C
DB09104	[OH-].[OH-].[Mg++]
DB09106	C(COC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCCO)OCCO)OCCO)OCCO)O.C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
DB09110	OS(=O)(=O)CCS
DB09111	CC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)OC)O)O)OC4C(C(C(C(O4)CO)OC)O)OCCO)O)O)O)O
DB09112	ON=O
DB09114	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
DB09115	OC1=C2N=CC=CC2=C(I)C=C1I
DB09116	[Ca++].[N-]=C=[N-]
DB09117	CC1OC(C)OC(C)O1
DB09118	CC(C)(C)C(O)\C=C\C1=CC2=C(OCO2)C=C1
DB09119	CC(=O)O[C@H]1CC2=CC=CC=C2N(C(N)=O)C2=CC=CC=C12
DB09120	COC1=C(O)C=CC(CNC(=O)CCCC\C=C/C(C)C)=C1
DB09121	OC[C@H]1O[C@H](S[Au])[C@H](O)[C@@H](O)[C@@H]1O
DB09123	[H][C@@]12CC[C@@](O)(CC#N)[C@@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@]21[H]
DB09124	[H][C@@]12CC[C@](C)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C)C2=CC(=O)CC[C@]12C
DB09125	[K+].[K+].[K+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
DB09128	O=C1NC2=CC(OCCCCN3CCN(CC3)C3=C4C=CSC4=CC=C3)=CC=C2C=C1
DB09129	[Cl-].[Cl-].[Cl-].[Cr+3]
DB09130	[Cu]
DB09131	Cl[Cu]Cl
DB09132	[Gd+3].OC(=O)CN1CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC1
DB09133	CNC(=O)C1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I
DB09134	OCCN(C(=O)CO)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I
DB09135	CC(=O)N(CC(O)CO)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCCO)=C1I
DB09136	CCN(CC)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC)C1=CC(=CC=C1S(O)(=O)=O)S(O)(=O)=O
DB09137	[99Tc].[H]OC(=O)C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C(=O)N([H])C1=C(C(Br)=C(C([H])=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
DB09138	O.O.[98Tc+4].[O-]P([O-])(=O)CP([O-])([O-])=O
DB09139	[99Tc].OC(P(O)(O)=O)P(O)(O)=O
DB09140	O=O
DB09142	CSCC[C@H](NC(=O)[C@H](CC1=CC=C(OS(O)(=O)=O)C=C1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O
DB09143	[H][C@]1(C)CN(C[C@@]([H])(C)O1)C1=CC=C(NC(=O)C2=CC=CC(=C2C)C2=CC=C(OC(F)(F)F)C=C2)C=N1
DB09144	CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H]1OC(C)=O)N1C=CC(=O)NC1=O
DB09146	O.O.O.[OH-].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[Na+].[Na+].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3].OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
DB09147	[Fe+3].[Fe+3].[Fe+3].[Fe+3].[O-]P([O-])(=O)OP([O-])([O-])=O.[O-]P([O-])(=O)OP([O-])([O-])=O.[O-]P([O-])(=O)OP([O-])([O-])=O
DB09148	CNC1=CC=C(\C=C\C2=CC=C(OCCOCCOCC[18F])C=C2)C=C1
DB09149	[H]N(C1=C([H])C([H])=C(\C([H])=C(/[H])C2=C([H])N=C(OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])[18F])C([H])=C2[H])C([H])=C1[H])C([H])([H])[H]
DB09151	CNC1=C([18F])C=C(C=C1)C1=NC2=CC=C(O)C=C2S1
DB09152	N#N
DB09153	[Na+].[Cl-]
DB09154	[Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
DB09155	[He]
DB09156	COCC(=O)NC1=C(I)C(C(=O)N(C)CC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I
DB09157	O=C=O
DB09160	O.O.[98Tc].CCOCCP(CCOCC)CCP(CCOCC)CCOCC.CCOCCP(CCOCC)CCP(CCOCC)CCOCC
DB09161	[Tc+].COC(C)(C)C[N+]#[C-].COC(C)(C)C[N+]#[C-].COC(C)(C)C[N+]#[C-].COC(C)(C)C[N+]#[C-].COC(C)(C)C[N+]#[C-].COC(C)(C)C[N+]#[C-]
DB09163	C[C@@H](NCC(CN[C@@H](/C(=N\O)/C)C)(C)C)/C(=N\O)/C.[99Tc]
DB09164	[99Tc].CC(C)C1=CC=CC(C(C)C)=C1NC(=O)CN(CC(O)=O)CC(O)=O
DB09165	[99Tc+4].[O-]P([O-])(=O)OP([O-])([O-])=O
DB09166	CCC1=CC2=C(S1)N1C(C)=NN=C1CN=C2C1=CC=CC=C1Cl
DB09167	CN(C)CC\C=C1/C2=CC=CC=C2CSC2=CC=CC=C12
DB09173	CCCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1
DB09174	CCC(=O)N(C1=CC=CC=C1)[C@]1(CCN(CCC2=CC=CC=C2)C[C@H]1C)C(=O)OC
DB09183	COC1=C(C=C(C=C1C1=CC2=CC=C(NS(C)(=O)=O)C=C2C=C1)N1C=CC(=O)NC1=O)C(C)(C)C
DB09184	[H][C@]1(CNCCO1)[C@@](O)(CC1=C(OC)C=CC(F)=C1)C1CCOCC1
DB09185	CCOC1=CC=CC=C1OCC1CNCCO1
DB09186	CNCCC(OC1=CC=CC=C1OC)C1=CC=CC=C1
DB09187	CN1CCC23NC(=O)CC(C2C1)C1=CC(Cl)=CC=C1O3
DB09190	[H]N(C)CCCC1(OC(C)(C)C2=CC=CC=C12)C1=CC=CC=C1
DB09194	CCN1C(=O)N(CCCN2CCN(CC2)C2=CC=CC(Cl)=C2)N=C1CC
DB09195	[H][C@@]12CCC[C@]1([H])C1=NN=C(CCN3CCN(CC3)C3=CC=CC(=C3)C(F)(F)F)N1C2
DB09198	COC1=CC=C(OC2=NC=NC(=C2)N(C)CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1
DB09199	FC1=C(COC2=CC=C3C=C(CC4SC(=O)NC4=O)C=CC3=C2)C=CC=C1
DB09200	COC1=CC=C2N=C(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)N(C)C2=C1
DB09201	CC1(COC2=CC=C(CC3SC(=O)NC3=O)C=C2)CCCCC1
DB09202	[H]N1CCN=C1COC1=CC=CC=C1C1CC1
DB09203	CNCC(O)C1=CC=C(O)C=C1
DB09204	CC(C)(C)NCC(O)CSC1=NC(=CS1)C1=CC=C(S1)C(N)=O
DB09205	CC(C)C1=C(OCCN(C)C)C=C(C)C(OC(C)=O)=C1
DB09206	COC1=CC2=C(N=C(N=C2N)N2CCN(CC2)C(=O)OCC(C)(C)O)C(OC)=C1OC
DB09207	[H]N(C)C1=C(Br)C=C(C(=O)N([H])[C@@H]2CN(C)CCN(CC)C2)C(OC)=C1
DB09209	[H][C@@]12OC3=C(OCCN4CCOCC4)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O
DB09210	OC(=N)CN1CCCC1=O
DB09211	CCCC[C@H](C)C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC\C=C\C(O)=O
DB09212	CC(C(O)=O)C1=CC=C(CC2CCCC2=O)C=C1
DB09213	CC(C)CC1=CC=C(C=C1)[C@H](C)C(O)=O
DB09214	[H][C@@](C)(C(O)=O)C1=CC(=CC=C1)C(=O)C1=CC=CC=C1
DB09215	CN1C2=C(OC(=O)N(C2=O)C2=CC=CC=N2)C2=CC=CC=C2S1(=O)=O
DB09216	CC1=C(Cl)C=CC=C1NC1=CC=CC=C1C(O)=O
DB09217	CC1(C)OC(=O)C(OCC2CC2)=C1C1=CC=C(C=C1)S(C)(=O)=O
DB09218	CC1=C(NC2=C(C=CC=N2)C(O)=O)C=CC=C1Cl
DB09219	OC1=CC=C(C=C1)C1(OC2=CC=CC=C2NC1=O)C1=CC=C(O)C=C1
DB09220	[O-][N+](=O)OCCNC(=O)C1=CC=CN=C1
DB09221	[Zn++].[H][C@@](CC1=CN=CN1)([N-]C(=O)CCN)C([O-])=O
DB09223	CCN1CCN(CC1)C1=NC2=C(CCCCCC2)C(=C1)C1=CC=C(F)C=C1
DB09224	CC1CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1
DB09225	CN(C)CCOC1=CC2=CC=CC=C2SC2=CC=C(Cl)C=C12
DB09226	OC1=NC2=C(OC1)C=CC(OCCCCN1CCN(CC1)C1=CC=CC(Cl)=C1Cl)=C2
DB09227	COC(=O)C1=C(C)NC(C)=C([C@H]1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)O[C@H]1CCN(CC2=CC=CC=C2)C1
DB09229	COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)=O
DB09230	CC(C)OC(=O)C1=C(C)NC(N)=C(C1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)OC1CN(C1)C(C1=CC=CC=C1)C1=CC=CC=C1
DB09231	COC(=O)C1=C(C)NC(C)=C([C@@H]1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)O[C@@H]1CCCN(CC2=CC=CC=C2)C1
DB09232	COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)OC\C=C\C1=CC=CC=C1
DB09234	CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OCC
DB09235	CC1=C(C(C2=CC=CC(=C2)[N+]([O-])=O)C(=C(C)N1)P1(=O)OCC(C)(C)CO1)C(=O)OCCN(CC1=CC=CC=C1)C1=CC=CC=C1
DB09236	CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1\C=C\C(=O)OC(C)(C)C)C(=O)OCC
DB09237	CCOC(=O)C1=C(COCCN)NC(C)=C([C@@H]1C1=CC=CC=C1Cl)C(=O)OC
DB09238	COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)N(=O)=O)C(=O)OCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1
DB09239	[H]N1C(C)=C([C@H](C2=CC(=CC=C2)[N+]([O-])=O)C(C(=O)OCCCN2CCC(CC2)(C2=CC=CC=C2)C2=CC=CC=C2)=C1C)C(=O)OC
DB09240	[H]N1C(C)=C(C(C2=CC(=CC=C2)[N+]([O-])=O)C(C(=O)OCCOCCC)=C1C)C(=O)OCCOCCC
DB09241	[Cl-].CN(C)C1=CC2=[S+]C3=C(C=CC(=C3)N(C)C)N=C2C=C1
DB09242	COC1=NC(C)=NC(Cl)=C1NC1=NCCN1
DB09243	[H]N([H])N([H])C1=NN=C(C=C1)C(=O)N([H])[H]
DB09244	CC1=CC=C2N3CCNC4CCCC(=C34)C2=C1
DB09245	CC1=CC(=CC=C1)N1CC(CO)OC1=O
DB09246	CC(NNC(=O)C1=CC=CC=C1)C1=CC=CC=C1
DB09247	CC(C)NNC(=O)COC1=CC=C(Cl)C=C1
DB09248	CC(NN)C1=CC=CC=C1
DB09249	CCCCCCC(C)NN
DB09250	CC(CC1=CC=CC=C1)NN
DB09251	[H]N([H])N([H])C(C)COC1=CC=CC=C1
DB09252	[H]N(CC1=CC=CC=C1)N([H])C(=O)C(C)(C)C
DB09253	CC(CCC1=CC2=C(OCO2)C=C1)NN
DB09254	NC(=O)CN1CC2=CC=CC=C2OC1=O
DB09256	FC1=CN(C2CCCO2)C(=O)NC1=O
DB09257	OC1=CC(=O)NC=C1Cl
DB09261	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O
DB09262	CC1=NC=CN1CCC(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=C1
DB09265	[V].[H][C@](C)(O)[C@]([H])(N=C(O)CN=C(O)[C@]([H])(CCC(O)=O)N=C(O)CN=C(O)[C@@]([H])(N)CC1=CN=CN1)C(O)=N[C@@]([H])(CC1=CC=CC=C1)C(O)=N[C@]([H])(C(O)=N[C@@]([H])(CO)C(O)=N[C@@]([H])(CC(O)=O)C(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@@]([H])(CO)C(O)=N[C@@]([H])(CCCCN)C(O)=N[C@@]([H])(CCC(O)=N)C(O)=N[C@@]([H])(CCSC)C(O)=N[C@@]([H])(CCC(O)=O)C(O)=N[C@@]([H])(CCC(O)=O)C(O)=N[C@@]([H])(CCC(O)=O)C(O)=N[C@@]([H])(C)C(O)=N[C@@]([H])(C(C)C)C(O)=N[C@@]([H])(CCCNC(N)=N)C(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@@]([H])(CC1=CC=CC=C1)C(O)=N[C@]([H])(C(O)=N[C@@]([H])(CCC(O)=O)C(O)=N[C@@]([H])(CC1=CNC2=CC=CC=C12)C(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@@]([H])(CCCCN)C(O)=N[C@@]([H])(CC(O)=N)C(O)=NCC(O)=NCC(=O)N1CCC[C@@]1([H])C(O)=N[C@@]([H])(CO)C(O)=N[C@@]([H])(CO)C(O)=NCC(O)=N[C@@]([H])(C)C(=O)N1CCC[C@@]1([H])C(=O)N1CCC[C@@]1([H])C(O)=N[C@@]([H])(CO)C(O)=N[C@@]([H])(CCCCN)C(O)=N[C@@]([H])(CCCCN)C(O)=N[C@@]([H])(CCCCN)C(O)=N[C@@]([H])(CCCCN)C(O)=N[C@@]([H])(CCCCN)C(O)=N[C@@]([H])(CCCCN)C(O)=N)[C@@]([H])(C)CC)[C@@]([H])(C)O
DB09267	[Sr++].[Sr++].[O-]C(=O)CN(CC([O-])=O)C1=C(C#N)C(CC([O-])=O)=C(S1)C([O-])=O
DB09268	OS(=O)(=O)OC1=CC=C(C=C1)C(C1=CC=C(OS(O)(=O)=O)C=C1)C1=CC=CC=N1
DB09269	OC(=O)CC1=CC=CC=C1
DB09270	COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O
DB09271	[H][C@](CO)(C(=O)O[C@@]1([H])C[C@@]2([H])[C@]3([H])O[C@]3([H])[C@@]([H])(C1)[N+]2(C)CC1CC1)C1=CC=CC=C1
DB09272	COC1=CC=C(CN([C@@H](C)C2=NC(=CN2)C2=CC=CC=C2)C(=O)[C@@H](N)CC2=C(C)C=C(C=C2C)C(N)=O)C=C1C(O)=O
DB09273	CN1C2=C(N(CC3OCCO3)C=N2)C(=O)N(C)C1=O
DB09274	[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@@H](OC(=O)CCC(O)=O)[C@@H]2C)O4
DB09275	[K+].[K+].[K+].[K+].[K+].[Bi+3].[O-]C(=O)CC([O-])(CC([O-])=O)C([O-])=O.[O-]C(=O)CC([O-])(CC([O-])=O)C([O-])=O
DB09276	[Na+].OC(=O)CC(S[Au])C([O-])=O
DB09277	[Cl-].C[N+](C)([11CH3])CCO
DB09278	[C]
DB09279	CCCCC1=NC(C)=C(CC(=S)N(C)C)C(=O)N1CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NN=NN1
DB09280	CC1=CC=C(NC(=O)C2(CC2)C2=CC=C3OC(F)(F)OC3=C2)N=C1C1=CC(=CC=C1)C(O)=O
DB09281	[Mg++].[Mg++].[O-][Si](=O)O[Si]([O-])([O-])O[Si]([O-])=O
DB09282	CCOC(=O)[N-]C1=C[N+](=NO1)N1CCOCC1
DB09283	CCN(CC)C1=CC(C)=NC2=NC=NN12
DB09284	CCN(CC)CCN1C(=N)ON=C1C1=CC=CC=C1
DB09285	FC(F)(F)C1=CC(NC2=C(C=CC=N2)C(=O)OCCN2CCOCC2)=CC=C1
DB09286	NC(=O)C1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)N1CCCCC1
DB09287	CC[NH+](CC)CCNC(=O)C1=CC2=CC=CC=C2S1.[Cl-]
DB09288	CCN(CC)CC(=O)OC1=CC=C(NC(C)=O)C=C1
DB09289	CN1C2=CC=CC=C2C(NCCCCCCC(O)=O)C2=C(C=C(Cl)C=C2)S1(=O)=O
DB09290	CN1C=C(C(=O)[C@@H]2CCC3=C(C2)N=CN3)C2=C1C=CC=C2
DB09291	C[C@@H](OC[C@]1(CC[C@]2(CCC(=O)N2)CN1)C1=CC=CC=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
DB09292	[H][C@@](CC1=CC=C(C=C1)C1=CC=CC=C1)(C[C@@]([H])(C)C(=O)OCC)NC(=O)CCC(O)=O
DB09293	[131I-]
DB09295	FC(F)(F)C1=CC(NC2=C(C=CC=N2)C(=O)OC2OC(=O)C3=CC=CC=C23)=CC=C1
DB09296	COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC1=CC=C(C=C1)[C@@H]1CC[C@H](N1C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)C=C1
DB09297	[H][C@@]12C[C@]1(NC(=O)[C@]1([H])C[C@H](CN1C(=O)[C@H](CCCCC\C=C/2)NC(=O)C1=CN=C(C)C=N1)OC1=NC2=C(C=CC=C2)C2=C1C=CC=C2)C(=O)NS(=O)(=O)C1CC1
DB09298	[H][C@@]1(OC2=C(O[C@@H]1CO)C=CC(=C2)[C@@]1([H])OC2=C(C(O)=CC(O)=C2)C(=O)[C@@H]1O)C1=CC(OC)=C(O)C=C1
DB09299	CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)CN1C=NC2=C(N)N=CN=C12)OC1=CC=CC=C1
DB09300	CCCC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1
DB09304	CN1CCC2=C(C1)C1=CC=CC=C1CC1=CC=CC=C21
DB09305	CN1CCN2C(C1)C1=CC=CN1CC1=C2C=CC=C1
DB09308	[H][C@]12N(CCCCN3C=C(N=N3)C3=CC(N)=CC=C3)C(=O)O[C@]1(C)[C@@]([H])(CC)OC(=O)[C@@](C)(F)C(=O)[C@]([H])(C)[C@@]([H])(O[C@]1([H])O[C@]([H])(C)C[C@]([H])(N(C)C)[C@@]1([H])O)[C@@](C)(C[C@@]([H])(C)C(=O)[C@]2([H])C)OC
DB09309	CO[C@H]1[C@H](O)CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O2)[C@@H]([C@H]1O)N(C)C
DB09313	CNC(=O)C1=C(I)C(C(=O)NCC(=O)NC2=C(I)C(C(O)=O)=C(I)C(C(=O)NCCO)=C2I)=C(I)C(N(C)C(C)=O)=C1I
DB09314	O.O.O.O.[98Tc-]
DB09315	[133Xe]
DB09317	C[C@]12CC[C@H]3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)[O-])[C@@H]1CCC2=O.[Na+]
DB09319	[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C(=O)OC1=CC2=C(CCC2)C=C1)C1=CC=CC=C1)C(O)=O
DB09320	CCN(CC)CCOC(=O)C1=CC=C(N)C=C1.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CC1=CC=CC=C1)C(O)=O
DB09321	O=[Zn]
DB09322	[Zn++].[O-]S([O-])(=O)=O
DB09324	[H][C@@]12CC(=O)N1[C@@]([H])(C(O)=O)C(C)(C)S2(=O)=O
DB09325	[F-].[Na+]
DB09326	[13NH3]
DB09327	O=C1NC=CC(=O)N1.FC1=CN(C2CCCO2)C(=O)NC1=O
DB09330	COC1=C(NC2=NC=CC(=N2)C2=CN(C)C3=C2C=CC=C3)C=C(NC(=O)C=C)C(=C1)N(C)CCN(C)C
DB09332	[Na+].[Na+].[Na+].[Na+].CC1=C(OP([O-])([O-])=O)C2=CC=CC=C2C(OP([O-])([O-])=O)=C1
DB09333	CN(C)C=NC1=C(I)C=C(I)C(CCC(O)=O)=C1I
DB09335	[H][C@@]12CN(C[C@]1([H])[C@H]2NC(=O)[C@H](C)NC(=O)[C@H](C)N)C1=NC2=C(C=C1F)C(=O)C(=CN2C1=CC=C(F)C=C1F)C(O)=O
DB09338	COC(CNC(=O)C1=CC=CC=C1OCC(O)=O)C[Hg]O
DB09340	CCCC(=O)NC1=C(I)C=C(I)C(CC(CC)C(O)=O)=C1I
DB09341	C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O
DB09342	CCCOC1=CC(N)=CC=C1C(=O)OCCN(CC)CC
DB09343	ClC1=C(CN2CCCC2=N)NC(=O)NC1=O
DB09344	C(C(C(C(C(C=O)O)O)O)O)O.C(C(C(C(C(=O)CO)O)O)O)O
DB09345	CCCCOC1=CC=C(OCCCN2CCOCC2)C=C1
DB09346	CN(C(C)=O)C1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I
DB09347	CC(=O)NC1=C(I)C(C(O)=O)=C(I)C=C1I
DB09348	O=C1CCO1
DB09351	CC(C)NC[C@H](O)COC1=CC=C(CCOCC2CC2)C=C1
DB09352	CC(N)CC1=CC=C(O)C=C1
DB09353	S1SSSSSSS1
DB09357	CC(C)(CO)[C@@H](O)C(=O)NCCCO
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DB11584	[H]N1CCCCC1C(O)(C1=CC=CC=C1)C1=CC=CC=C1
DB11586	COC1=CN=C(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C2CC2)C2=C1C=CC(Cl)=C2
DB11587	CCN(C)[C@@H](C)[C@H](O)C1=CC=CC=C1
DB11588	[C-]#[O+]
DB11590	[Na+].CC[Hg]SC1=CC=CC=C1C([O-])=O
DB11591	CCOCCN1C(=NC2=CC=CC=C12)C1CCN(CCC2=CC=C(C=C2)C(C)(C)C(O)=O)CC1
DB11593	O=C1NC2=CC=CC=C2C(=O)O1
DB11594	CCCCCCCCCCCC[N+](C)(C)CCOC1=CC=CC=C1
DB11596	NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2C=O)N1
DB11609	CCC(=O)C(CCN(C)C)(C1=CC=CC=C1)C1=CC=CC=C1
DB11611	CS(=O)(=O)C1=CC(C[C@H](NC(=O)C2=C(Cl)C3=C(CN(CC3)C(=O)C3=CC=C4C=COC4=C3)C=C2Cl)C(O)=O)=CC=C1
DB11613	COC[C@H]1C[C@H](N(C1)C(=O)[C@H](NC(=O)OC)C1=CC=CC=C1)C1=NC=C(N1)C1=CC=C2C(COC3=CC4=C(C=CC5=C4NC(=N5)[C@@H]4CC[C@H](C)N4C(=O)[C@@H](NC(=O)OC)C(C)C)C=C23)=C1
DB11614	CC1=CC(CN2CCC(CC2)=C2C3=CC=C(Cl)C=C3CCC3=C2N=CC=C3)=CN=C1
DB11616	[H][C@]1(N)C[C@]([H])(O[C@@]2([H])C[C@@](O)(CC3=C(O)C4=C(C(O)=C23)C(=O)C2=C(C=CC=C2OC)C4=O)C(=O)CO)O[C@@]([H])(C)[C@@]1([H])O[C@]1([H])CCCCO1
DB11617	CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)N(C)C)C2=C(O)C3=C(C=C2[C@H]1C(=O)OC)C(=O)C1=C(C(O)=CC=C1)C3=O
DB11618	[H][C@@]1(C[C@@](O)(CC2=C(O)C3=C(C(O)=C12)C(=O)C1=C(C=CC=C1OC)C3=O)C(C)=NNC(=O)C1=CC=CC=C1)O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1
DB11619	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H]
DB11622	[H][C@@]1(CC[C@@]2([H])[C@]3([H])C(=O)C[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC(=O)[C@]12C)[C@H](C)CCC(O)=O
DB11623	COCCOC[C@H](CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(O)=O
DB11625	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
DB11632	CC1=C(C2=NOC(=N2)C2=CC(=C(O)C(O)=C2)[N+]([O-])=O)C(Cl)=[N+]([O-])C(C)=C1Cl
DB11633	C[C@@H](C1=NC(=CS1)C1=CC=C(C=C1)C#N)[C@](O)(CN1C=NC=N1)C1=C(F)C=CC(F)=C1
DB11634	CC1=NC=CN1.C1C(O1)CCl
DB11635	CC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)CCC(=O)OCCO)C
DB11636	CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
DB11637	C[C@]1(COC2=CC=C(C=C2)N2CCC(CC2)OC2=CC=C(OC(F)(F)F)C=C2)CN2C=C(N=C2O1)[N+]([O-])=O
DB11638	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)C([H])(O)O[C@]3([H])O[C@@]4(C)CC[C@]1([H])[C@@]23OO4
DB11640	NC1=CC=NC=C1N
DB11641	CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)C1=CC(OC)=C(C=C41)[C@]1(C[C@@H]3C[C@H](C[N@@](C3)CC3=C1NC1=CC=CC=C31)C(C)(F)F)C(=O)OC)[C@](O)([C@@H]2OC(C)=O)C(=O)OC
DB11642	ClC1=CC=C(CCCOCCCN2CCCCC2)C=C1
DB11644	OC(=O)C1=CC=C2N=C(OC2=C1)C1=CC(Cl)=CC(Cl)=C1
DB11651	CN1C(=O)N(C2=C1C=NC1=CC=C(C=C21)C1=CN=C2C=CC=CC2=C1)C1=CC=C(C=C1)C(C)(C)C#N
DB11652	CC1=CC(NC2=NC=NC3=CC=C(NC4=NC(C)(C)CO4)C=C23)=CC=C1OC1=CC2=NC=NN2C=C1
DB11653	CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CN=CN2)NC1=O)C(O)=O
DB11656	OC(=O)C(CC1=CC(O)=NC2=CC=CC=C12)NC(=O)C1=CC=C(Cl)C=C1
DB11660	O[C@H](CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OCCCCO[N+]([O-])=O)CCC1=CC=CC=C1
DB11662	CC1=NC=C(NC(=O)NC2=C(OC[C@@H]3CNCCO3)C=C(C)C(Br)=C2)N=C1
DB11664	CN(C)CCC1=CNC2=C1C(OP(O)(O)=O)=CC=C2
DB11669	CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1[C@@H]2OC(=O)O[C@@]22[C@@H](OC(=O)C3=CC=CC=C3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(C)=O
DB11672	COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC=C1O
DB11674	OC1=CC=C(C=C1)[C@H]1COC2=C(C1)C=CC(O)=C2
DB11675	CCOC1=CC(N)=C(Cl)C=C1C(=O)NCC1CN(CC2=CC=C(F)C=C2)CCO1
DB11678	CS(=O)(=O)OC[C@H](O)[C@@H](O)COS(C)(=O)=O
DB11686	CN1CCCC[C@H]1CCC1=CC=CC=C1NC(=O)\C=C\C1=CC=CC=C1
DB11688	CN(CC(N)=O)C(=O)N(CCCl)N=O
DB11689	CN1C=NC2=C1C=C(C(O)=NOCCO)C(NC1=C(Cl)C=C(Br)C=C1)=C2F
DB11691	[H][C@@]12OC3=C4C(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NC(C)(C)C1=NC(=NO1)C1=CC=CC=C1)=C2O)=CC=C3O
DB11692	CC[C@H](NC(=O)C1=C(NS(C)(=O)=O)C(=NC2=CC=CC=C12)C1=CC=CC=C1)C1=CC=CC=C1
DB11693	CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C=C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
DB11694	NC1=C2C(SC=C2C2=CC=C(NC(=O)NC3=CC(F)=CC=C3)C=C2)=C(C=N1)C1=CN(CCO)N=C1
DB11696	CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(=O)OCC1=CC=CC=C1
DB11697	C(CN1CCCC1)OC1=CC=C2C=C1COC\C=C\COCC1=CC(=CC=C1)C1=CC=N\C(N1)=N\2
DB11698	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=CC=C(F)C(CC2=CC3=CC=CC=C3S2)=C1
DB11699	[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)OC(=O)C1=CNC3=CC=CC=C13)N2C
DB11703	CC#CC(=O)N1CCC[C@H]1C1=NC(=C2N1C=CN=C2N)C1=CC=C(C=C1)C(=O)NC1=CC=CC=N1
DB11705	CN(C(=O)CO)C1=C(I)C(C(O)=NCC(O)CO)=C(I)C(C(O)=NCC(O)CO)=C1I
DB11707	COCCOCCN(CC(=O)NCCCCCCOP(=O)(O)O)C(=O)COCCOC
DB11708	NC(=O)C1=CN=C2NC=CC2=C1N[C@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2
DB11712	CC(C)(CO)C1=CC2=CC(NC(=O)C3(CC3)C3=CC=C4OC(F)(F)OC4=C3)=C(F)C=C2N1C[C@@H](O)CO
DB11713	COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C1=NC=C(N1)C1=CC=C2N3[C@@H](OC4=C(C3=CC2=C1)C(F)=CC(=C4)C1=CN=C(N1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C)C1=CN=C(S1)C1CC1
DB11716	COCC(O)CN1C=CN=C1[N+]([O-])=O
DB11717	NS(=O)(=O)NCCNC1=NON=C1\C(NC1=CC(Br)=C(F)C=C1)=N\O
DB11718	COC(=O)N[C@@H](C)CNC1=NC=CC(=N1)C1=CN(N=C1C1=CC(Cl)=CC(NS(C)(=O)=O)=C1F)C(C)C
DB11720	[H][C@](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)([C@@H](C)CC)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(O)=O
DB11723	OB(O)[C@@H]1CCCN1C(=O)CN[C@@H]1CCNC1
DB11726	ClC1=C2SC(=CC2=CC=C1)C(=O)N[C@H]1CN2CCC1CC2
DB11730	CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(C=N3)N3CCNCC3)N=C2N1C1CCCC1
DB11732	CN1CCC(CC1)C(=O)C1=CC=CC(NC(=O)C2=C(F)C=C(F)C=C2F)=N1
DB11735	[H]C(=O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO
DB11737	C#CC1=CC=CC(NC2=NC=NC3=CC4=C(OCCOCCOCCO4)C=C23)=C1
DB11738	C1CC1C(NC1=NCCO1)C1CC1
DB11740	CN1CCN(CC1)C1=CC=C(NC2=NC=C3C(=O)N(CC=C)N(C3=N2)C2=NC(=CC=C2)C(C)(C)O)C=C1
DB11742	CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN1CCC(CC1)OC(C1=CC=CC=C1)C1=CC=CC=C1
DB11744	NC[C@H]1OB(O)C2=C1C=CC=C2OCCCO
DB11748	CC(N(CC1=CN=C(C)NC1=N)C=O)=C(CCOP(O)(O)=O)SC(=O)C1=CC=CC=C1
DB11750	[H][C@@]12C[C@H](C)[C@](O)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
DB11751	C[C@H]1CO[C@@H]2CN3C=C(C(=O)NCC4=CC=C(F)C=C4F)C(=O)C(O)=C3C(=O)N12
DB11752	CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(OC(=O)CC(CC3CC(C(C(O3)(CC4CC(=CC(=O)OC)CC(O4)C=CC(C1(O2)O)(C)C)O)(C)C)OC(=O)C)O)C(C)O
DB11753	CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(O)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C=C2O
DB11755	CCCC1=CC(O)=C2[C@@H]3C=C(C)CC[C@H]3C(C)(C)OC2=C1
DB11757	[H]\C(=C(\[H])C1=CC(OC)=C(OC)C=C1)C1=NC2=C(N1C)C(=O)N(CC)C(=O)N2CC
DB11758	CCCCOCCOC1=CC=C(C=C1)C1=CC=C2N(CC(C)C)CCC\C(=C/C2=C1)C(=O)NC1=CC=C(C=C1)[S@@+]([O-])CC1=CN=CN1CCC
DB11760	CN1N=CN=C1[C@@H]1[C@H](NC2=C3C1=NNC(=O)C3=CC(F)=C2)C1=CC=C(F)C=C1
DB11761	CN1C[C@@H](C2=CC(=CC=C2)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)C2=CC(=CC=C2)[C@@H]2CN(C)CC3=C2C=C(Cl)C=C3Cl)C2=C(C1)C(Cl)=CC(Cl)=C2
DB11770	CC(C)(C)NCC(O)COC1=CC=C(NC(=O)NC2CCCCC2)C=C1
DB11772	COC1=CC=C(Cl)C(NC2=C(NS(=O)(=O)C3=CC(NC(=O)C(C)(C)N)=CC=C3)N=C3C=CC=CC3=N2)=C1
DB11774	[H][C@]1(C)COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2C1(N)CC1
DB11779	CC(C)(C)OC(=O)N[C@H]1CCCCC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C1=O)OC(=O)N1CC2=CC=CC(F)=C2C1)C(=O)NS(=O)(=O)C1CC1
DB11780	C=CCSS(=O)CC=C
DB11781	CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(=O)OC1CCCC1)C1=CC=CC=C1
DB11783	[H][C@@](C)(N[C@@]([H])(CCC1=CC=CC=C1)C(=O)OCC)C(=O)N1C(=O)N(C)C[C@@]1([H])C(O)=O
DB11785	CN1[C@@H]2C[C@H](O)[C@H]1C[C@H](C2)OC(=O)[C@H](CO)C1=CC=CC=C1
DB11789	[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O
DB11792	CCCOC1=CC=C(C=C1C1=NC2=C(N(CC)C=C2CCC)C(=O)N1)S(=O)(=O)N1CCN(CCO)CC1
DB11793	NC(=O)C1=CC=CC2=CN(N=C12)C1=CC=C(C=C1)[C@@H]1CCCNC1
DB11795	CC1=NC2=C(C=C(C=C2N1CC1=C(C)C(=CC=C1)C(F)(F)F)N1CCOCC1)C(O)=O
DB11797	CC(=O)N[C@H]([C@@H](O)CC(=O)C(O)=O)[C@@H](O)[C@H](O)[C@H](O)CO
DB11799	OC1=C2N(C[C@H]3O[C@@H]4CC[C@@H](C4)N3C2=O)C=C(C(=O)NCC2=C(F)C=C(F)C=C2F)C1=O
DB11800	COC1=C(OC)C=C2C(OC3=CC(Cl)=C(NC(=O)NC4=NOC(C)=C4)C=C3)=CC=NC2=C1
DB11805	CN1CCN(CCOC2=CC3=C(C(NC4=C(Cl)C=CC5=C4OCO5)=NC=N3)C(OC3CCOCC3)=C2)CC1
DB11808	COC1=C(Br)C2=C(C=C1)C(O[C@@H]1C[C@H](N(C1)C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C=C)C(O)=O)=CC(=N2)C1=CSC(NC(=O)C(C)C)=N1
DB11809	C(CN1CCOCC1)OC1=CC=C(C=C1)[C@H]1CC[C@]2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
DB11811	CC(=O)NCCOC(=O)[C@H](OC1=CC=CC(=C1)C(F)(F)F)C1=CC=C(Cl)C=C1
DB11812	CCC1=C(C)\C2=C\C3=C(C=C)C(C)=C(N3)\C=C3/N=C([C@@H](CCC(O)=O)[C@@H]3C)/C(/CC(=O)N[C@@H](CC(O)=O)C(O)=O)=C3\N\C(=C/C1=N2)C(C)=C3C(O)=O
DB11817	CCS(=O)(=O)N1CC(CC#N)(C1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1
DB11820	CC1CS(=O)(=O)CCN1\N=C\C1=CC=C(O1)[N+]([O-])=O
DB11823	CN[C@@]1(CCCCC1=O)C1=CC=CC=C1Cl
DB11824	CCC1=CC=C(CC2=CC=C3CO[C@]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C3=C2)C=C1
DB11827	CCOC1=CC=C(CC2=CC(=CC=C2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)C=C1
DB11828	CCOC1=C(NC(=O)\C=C\CN(C)C)C=C2C(NC3=CC=C(OCC4=CC=CC=N4)C(Cl)=C3)=C(C=NC2=C1)C#N
DB11830	NC1=CC=CC=C1NC(=O)C1=CC=C(CNC2=NC=CC(=N2)C2=CC=CN=C2)C=C1
DB11831	ClC1=C(C=C(C=C1)N(=O)=O)N(=O)=O
DB11832	CC1(COC2=CC=C3N(C=NC3=C2)C2=CC=C3C=CC=C(N4CCC(N)CC4)C3=N2)COC1
DB11835	[111In+3].CC(O)C(CO)N=C(O)C1CSSCC(N=C(O)C(CC2=CC=CC=C2)N=C([O-])CN(CCN(CCC(C(O)=O)C(O)=O)CC([O-])=O)CC([O-])=O)C(O)=NC(CC2=CC=CC=C2)C(O)=NC(CC2=CNC3=CC=CC=C23)C(O)=NC(CCCCN)C([O-])=NC(C(C)O)C(O)=N1
DB11841	NC1=CC=CC=C1NC(=O)C1=CC=C(CNC(=O)OCC2=CN=CC=C2)C=C1
DB11842	CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O
DB11844	CN(C(=O)CC1=CC=C(C=C1)C1=CC=CC=N1)C1=NC(C)=C(S1)S(N)(=O)=O
DB11855	CN(CCN1CCC(CC1)OC(=O)NC1=CC=CC=C1C1=CC=CC=C1)C(=O)C1=CC=C(CN2CCC(CC2)C(N)=O)C=C1
DB11858	CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O
DB11859	[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)=O
DB11860	CCCCCCCCCCCCCCCCCCCC(=O)N[C@H]1CC[C@@]2(C)[C@H](C[C@@H](O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(O)=O)[C@@]4(C)[C@@H](O)C[C@H]23)C1
DB11868	CCC(N1CCCC1=O)C(N)=O
DB11869	C\C=C\C[C@@H](C)C(=O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@@H](NC1=O)C(C)C)C(C)C
DB11871	CC(C)(CC1=CC=CC(CC(=O)NCC2=CC=CC(=C2)C2=CC=C(O)C=C2)=C1)NC[C@H](O)C1=CC=C(O)C(NS(C)(=O)=O)=C1
DB11876	C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O
DB11880	CN(C)CCNC(=O)C1=C2N=C3C=CC=CC3=CC2=CC=C1
DB11886	CCN1CCN(CC1)C1=CC=C(NC2=CC(=NC=N2)N(C)C(=O)NC2=C(Cl)C(OC)=CC(OC)=C2Cl)C=C1
DB11888	[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OC)[C@H](O)COC(=O)CCCCCCC
DB11889	N[C@@H](CC1=CC=CC=N1)C1=CC=CC=C1
DB11891	COC1=CC=C(C=N1)C1=NC(N2CCOCC2)=C2SC(CN(C)C3=NC=C(C=N3)C(=O)NO)=CC2=N1
DB11892	CC1SC2=C(C(O)=O)C(=O)C3=CC(F)=C(C=C3N12)N1CCN(CC2=C(C)OC(=O)O2)CC1
DB11894	CN1C(COC2=CC=C(CC3SC(=O)NC3=O)C=C2)=NC2=CC=C(OC3=CC(C)=C(N)C(C)=C3)C=C12
DB11898	O=C1CSC(=O)N1
DB11901	CNC(=O)C1=CC=C(C=C1F)N1C(=S)N(C(=O)C11CCC1)C1=CC(=C(N=C1)C#N)C(F)(F)F
DB11903	FC(F)(F)C1=NC(NC2=C(Cl)C=C(Cl)C=C2)=NC=C1C(=O)NCC1CCOCC1
DB11904	CN1CCN(CC2=CC=C(C=C2C(F)(F)F)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CC=CN=C3)=C(C)N=C2)CC1
DB11907	COC1=CC(=CC=C1NC1=NC=C(C(NC2=CC=CC(NC(=O)C=C)=C2)=N1)C(F)(F)F)N1CCN(CC1)C(C)=O
DB11912	CC1=NC(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)=C(F)C(=N1)N1CCN2CCOC[C@@H]2C1
DB11915	COC1=C(OC)C=C2[C@H]3C[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H](CC(C)C)CN3CCC2=C1
DB11918	NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)O[C@H]2C[C@@H](O[C@@H]2CO)N2C=NC(N)=NC2=O)O1
DB11919	NC1=NC(OCC2=CC=CC=C2)=C2N=CNC2=N1
DB11921	[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@]([H])(O)C[C@]3(C)[C@@]1(N=C(C)O2)C(=O)COC(C)=O
DB11935	CO[C@]1(NC(=O)CSC(F)F)[C@H]2OCC(CSC3=NN=NN3CCO)=C(N2C1=O)C(O)=O
DB11936	CC(C)(CCCCCC(O)CCCCCC(C)(C)C(O)=O)C(O)=O
DB11937	OC(=O)C1=CC(=O)C2=CC=CC=C2N1
DB11942	FC(F)(F)C1=CC(=CC(=C1)C1=NN(\C=C/C(=O)NNC2=NC=CN=C2)C=N1)C(F)(F)F
DB11943	NC1=NC(N2C=C(C(O)=O)C(=O)C3=CC(F)=C(N4CC(O)C4)C(Cl)=C23)=C(F)C=C1F
DB11944	OC(=O)CCCC(=O)NCCC1=CNC=N1
DB11948	CC1(C)CCC2=C(O1)C1=CC=CC=C1C(=O)C2=O
DB11949	C[C@@H](N(C)C(=O)N1CCNC[C@@H]1C1=CC=C(F)C=C1C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
DB11950	[H][C@]1(CN[C@@]([H])(C1)C(=O)N1CCSC1)N1CCN(CC1)C1=CC(C)=NN1C1=CC=CC=C1
DB11951	CC1=NC=C(OC[C@]2(C[C@H]2C(=O)NC2=NC=C(F)C=C2)C2=CC=CC(F)=C2)C(C)=N1
DB11952	C[C@H](NC1=C2N=CNC2=NC=N1)C1=CC2=CC=CC(Cl)=C2C(=O)N1C1=CC=CC=C1
DB11957	FC(F)C(F)(F)COC1=CC=CC(CNCCC2=CNC3=CC(F)=CC=C23)=C1
DB11960	NC(=O)C1=C(N)N(CC2=CC(Cl)=C(C(=O)C3=CC=C(Cl)C=C3)C(Cl)=C2)N=N1
DB11963	COC1=C(NC(=O)\C=C\CN2CCCCC2)C=C2C(NC3=CC(Cl)=C(F)C=C3)=NC=NC2=C1
DB11964	COC1=C(C)C(CS(=O)C2=NC3=C(N2)C=CC(=C3)N2C=CC=C2)=NC=C1
DB11967	CN1C=NC2=C(F)C(NC3=CC=C(Br)C=C3F)=C(C=C12)C(=O)NOCCO
DB11973	COC1=C(OC[C@H]2C[C@H]3CN(C)C[C@H]3C2)C=C2N=CN=C(NC3=CC=C(Cl)C(Cl)=C3F)C2=C1
DB11978	CN1CC[C@H](C[C@@H]1C1=NC2=CC=CC=C2N1)NC(=O)NC1=CC=C(C=C1)C#N
DB11979	COC1=C(F)C(=CC=C1)C1=C(C)N(CC2=C(C=CC=C2F)C(F)(F)F)C(=O)N(C[C@H](NCCCC(O)=O)C2=CC=CC=C2)C1=O
DB11984	O[C@H](CS(=O)(=O)C1=CC=C2C=C(Cl)C=CC2=C1)C(=O)N1CCC(CC1)N1CCCNC1=O
DB11986	CN1CCN(CC1)C1=CC=C(C(=O)NC2=NNC3=CC=C(CC4=CC(F)=CC(F)=C4)C=C23)C(NC2CCOCC2)=C1
DB11989	[O-][N+](=O)C1=NC=CN1CC(=O)NCC1=CC=CC=C1
DB11992	CS(=O)(=O)N1C=C2CN(CC2=N1)[C@H]1CO[C@@H]([C@@H](N)C1)C1=CC(F)=CC=C1F
DB11994	CC(=O)OC1=CC=CC2=C1C(=O)C1=C(OC(C)=O)C=C(C=C1C2=O)C(O)=O
DB11995	OC(=O)C1CCN(CC1)C1=C(Cl)C=C(C=N1)C(=O)NC1=NC(C2=CC(Cl)=CS2)=C(S1)N1CCN(CC1)C1CCCCC1
DB11996	CC(C)C(NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O
DB11998	OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)N1C=C(\C=C\Br)C(=O)NC1=O
DB11999	CN[C@H]1CN(C[C@@H]1OC)C1=CC=C2C(=O)C(=CN(C3=NC=CS3)C2=N1)C(O)=O
DB12001	CCN1CCN(CC2=CC=C(NC3=NC=C(F)C(=N3)C3=CC(F)=C4N=C(C)N(C(C)C)C4=C3)N=C2)CC1
DB12007	O=C1C(=COC2=CC=CC=C12)C1=CC=CC=C1
DB12010	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC
DB12013	NC(=O)C1=CC=CC(=C1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCCCC1)C(=O)[C@@H](O)CO
DB12015	CC1=C(SC(NC(=O)N2CCC[C@H]2C(N)=O)=N1)C1=CC(=NC=C1)C(C)(C)C(F)(F)F
DB12020	FC(F)(F)C1=CC=C(C=C1)C(=O)NN1C(=O)[C@H]2[C@H]([C@H]3C=C[C@@H]2[C@@H]2C[C@H]32)C1=O
DB12025	CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3C[C@H]3C4=C(CC[C@]13C)C(=O)OC4)[C@@H]2O
DB12026	CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCC(F)(F)C1=C(O2)N=C2C=C(OC)C=CC2=N1)C(C)(C)C
DB12028	OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(Br)C(=O)NC1=O
DB12035	[H][C@@]12CC3=C(CN(C)OC)C=CC(O)=C3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2
DB12036	CCC1=C(O[C@@H]2CCN(C2)C(=O)C=C)N=C(NC2=CC=C(C=C2)N2CCC(CC2)N2CCN(C)CC2)C(=N1)C(N)=O
DB12037	CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@@H]2C[C@@H]2C1)C(C)(C)C)OC1=C2C=CC(OCCN3CCOCC3)=C(Cl)C2=NC(=C1)C1=CSC(NC(C)C)=N1)C(O)=O
DB12048	C[C@H](N1N=NC2=NC=C(N=C12)C1=CN(C)N=C1)C1=CN2C=CN=C2C=C1
DB12051	CS(=O)(=O)NC1=CC=C2NC(=NS(=O)(=O)C2=C1)C1=C(O)[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2N(CC2=CC=C(F)C=C2)C1=O
DB12054	CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC1=O)C(C)C
DB12057	COC[C@@]1(C)CCCN2CCC3=C(OC4=CC=CC=C34)[C@H]12
DB12061	CN1CCN(CC1)C1=C2OC(=O)NC2=CC=C1
DB12062	CC[C@H]1N(C(C)C)C2=NC(NC3=CC=C(C=C3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)=NC=C2N(C)C1=O
DB12070	COC1=CC=CC(=C1)N1CCN(CC1)C1=NC2=C(C=CC=C2F)[C@H](CC(O)=O)N1C1=CC(=CC=C1OC)C(F)(F)F
DB12071	C1C[C@H]2CN3CCNCC4=C3C(=CC=C4)[C@H]2C1
DB12073	C[C@@H](N1C=NC2=CC(Cl)=CC=C2C1=O)[C@](O)(CN1C=NC=N1)C1=CC=C(F)C=C1F
DB12079	[H]\C(CC\C(C)=C(/[H])CCC(=O)OC\C([H])=C(/C)CCC=C(C)C)=C(\C)CCC=C(C)C
DB12080	C[C@H](NCCC1=C(C)C=C(OCC(O)=O)C(C)=C1)[C@H](O)C1=CC=C(O)C=C1
DB12081	C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
DB12082	COC1=C(OC)C=C(C=C1)C(=O)N1CCN(CC1)C1=CC=C2NC(=O)CCC2=C1
DB12083	OS(=O)(=O)CCS[C@H]1CCO[P@@](=O)(N1)N(CCCl)CCCl
DB12085	CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C1=NC(=CS1)C(=O)C1=CC=C(F)C=C1
DB12086	CC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1
DB12092	COC1=CC=CC=C1N1CCN(CC(O)COC2=CC=CC3=CC=CC=C23)CC1
DB12093	COC1=CC=C2C[C@@H]3N(CCC4=CC(OC)=C(OC)C=C34)CC2=C1OC
DB12095	CCOC(=O)[C@@H](N)CC1=CC=C(C=C1)C1=NC(N)=NC(O[C@H](C2=CC=C(Cl)C=C2N2C=CC(C)=N2)C(F)(F)F)=C1
DB12097	CS(=O)(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COS(C)(=O)=O
DB12100	O[C@@H](CNCCCCCCOCC(F)(F)C1=CC=CC=C1)C1=C2C=CC(=O)NC2=C(O)C=C1
DB12105	CCC[C@@H](C)C[C@H](N)CC(O)=O
DB12107	OB1O[C@H](CC(O)=O)CC[C@@H]1NC(=O)CC1=CC=CS1
DB12108	CC(C)N1N=C(C)N=C1C1=CN2CCOC3=CC(=CC=C3C2=N1)C1=CN(N=C1)C(C)(C)C(N)=O
DB12110	ClC1=CC(=CC=C1)N1CCNCC1
DB12111	ClC1=NC(=CN=C1)N1CCNCC1
DB12112	CC(=O)OC\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C
DB12116	OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC(O)=C(O)C(O)=C1
DB12123	COC1=CC(\C=C\C(=O)N2CCN(CC(=O)N3CCCC3)CC2)=CC(OC)=C1OC
DB12124	CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC=CC1=C3\C=N\OCCN)C2=O
DB12126	N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
DB12127	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)N2[C@H]1C(=O)OCOC(=O)[C@@H]1N2[C@@H](CC2=O)S(=O)(=O)C1(C)C
DB12128	C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)NCCCC2=CC=CC=C2O1
DB12129	O=C1SN(C(=O)N1CC1=CC=CC=C1)C1=C2C=CC=CC2=CC=C1
DB12130	C[C@H]1OC2=C(N)N=CC(=C2)C2=C(C#N)N(C)N=C2CN(C)C(=O)C2=C1C=C(F)C=C2
DB12131	[H][C@]12N3CCC[C@@]1(CC)C=C(N1C4=CC=CC=C4C(CC3)=C21)C(=O)OCC
DB12137	COC1=CC=CC(NC2=C(C=NC3=C(C)C=C(C=C23)S(=O)(=O)C2=CC(=CC=C2)C(=O)N(C)C)C(N)=O)=C1
DB12140	CC1=CC(F)=CC=C1C1=C2C=CC(=O)N(C2=NC(NC(CO)CO)=N1)C1=C(F)C=CC=C1F
DB12141	CCC1=C(NC2CCOCC2)N=C(NC2=CC=C(N3CCC(CC3)N3CCN(C)CC3)C(OC)=C2)C(=N1)C(N)=O
DB12146	COC1=CC(OC)=C(\C=C\S(=O)(=O)CC2=CC=C(OC)C(NCC(O)=O)=C2)C(OC)=C1
DB12147	COC1=CC(=CC(OC)=C1)N(CCNC(C)C)C1=CC=C2N=CC(=NC2=C1)C1=CN(C)N=C1
DB12148	[H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC1=C(C)C(=O)C2=CC=CC=C2C1=O)=C(\C)CCC=C(C)C
DB12151	CCCCCCCCCCCCCCCCOCCCOP(O)(=O)CO[C@H](CO)CN1C=CC(N)=NC1=O
DB12153	C[N+](C)(C)CCOP([O-])(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O
DB12156	[H][C@@]1(CO)C[C@@]([H])(O)[C@@]([H])(O1)N1C=NC2=C(N)N=CN=C12
DB12160	CC(C)(S)C(=O)N[C@@H](CS)C(O)=O
DB12161	[2H]C([2H])([2H])OC1=CC2=C(C=C1OC([2H])([2H])[2H])[C@@H]1CC(=O)[C@@H](CC(C)C)CN1CC2
DB12163	COC1=CC(CCC2=CC=CC=C2OCC(CN(C)C)OC(=O)CCC(O)=O)=CC=C1
DB12172	O=N(=O)C1=CN=CN1CCN1CCOCC1
DB12174	COC1=C(OCCCCCCC(=O)NO)C=C2C(NC3=CC=CC(=C3)C#C)=NC=NC2=C1
DB12177	CN(C)CCO\N=C(\C=C\C1=CC=C(O)C=C1)/C1=CC=CC=C1F
DB12184	CC1(C)CC(=O)N(CCCCN2CCN(CC2)C2=NC=CC=N2)C(=O)C1
DB12185	CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=C(F)C(C)=C4CC[C@H](N)C3=C14)C2=O
DB12190	[H][C@]12SC([C@H]3CCCO3)=C(N1C(=O)[C@@H]2[C@@H](C)O)C(O)=O
DB12191	COC1=CC(=N\C1=C/C1=C(C)C=C(C)N1)C1=CC2=CC=CC=C2N1
DB12192	SCCNC(=O)C1=CC(=CC=C1)C(=O)NCCS
DB12193	[H][C@@]12CC(=CC[C@@]1([H])C(C)(C)OC1=CC(=CC(O)=C21)C(C)(C)CCCCCC)C(O)=O
DB12194	CC1=CC(=O)C=C2CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]12C
DB12200	O=C1NC(=O)[C@H]([C@@H]1C1=CNC2=CC=CC=C12)C1=CN2CCCC3=C2C1=CC=C3
DB12212	CC1(C)OC[C@@H](COC(=O)CCC2=CC=C(OC[C@@H](O)CNCCNC(=O)N3CCOCC3)C=C2)O1
DB12216	COC1=C2C=CC(=O)OC2=CC2=C1C=CO2
DB12221	[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C
DB12222	CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=C4OCCOC4=CC1=C3CN1CCN(C)CC1)C2=O
DB12225	COC1=CC=C2C3=C(C4CCCCC4)C4=CC=C(C=C4N3C[C@]3(C[C@H]3C2=C1)C(=O)N1[C@H]2CC[C@@H]1CN(C)C2)C(=O)NS(=O)(=O)N(C)C
DB12228	FC1=C(F)C(=CC=C1)[C@@H]1CC[C@@H](NC(=O)N2CCC(CC2)N2C(=O)NC3=C2C=CC=N3)C(=O)N(CC(F)(F)F)C1
DB12229	CN(C)CCCOC1=CC=C2NN=C(C2=C1)S(=O)(=O)C1=C2C=CC=CC2=CC=C1
DB12230	CCCC(=O)N1CCCN(CC1)C1=NC(N)=C2C=C(OC)C(OC)=CC2=N1
DB12231	COP(=S)(OC)OC1=CC=C(SC2=CC=C(OP(=S)(OC)OC)C=C2)C=C1
DB12232	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
DB12243	CC1=NN(C(=O)C1)C1=CC=CC=C1
DB12245	CSC1=NC2=C(N1)C=C(Cl)C(OC1=CC=CC(Cl)=C1Cl)=C2
DB12248	CC(C)(C)NCC(O)C1=CC=CC=C1Cl
DB12251	CCC1=NC(CC2=CC=CC=C2)=C2C=C(OC)C(OC)=CC2=C1
DB12257	[Pt]
DB12259	CN(C)CCCNC(=O)C(\COC1=C2C=CC=CC2=CC=C1)=C\CCCCC(=O)NO
DB12264	CCNC1=CC=CN=C1N1CCN(CC1)C(=O)C1=CC2=CC(OC)=CC=C2N1
DB12265	CSC1=CC=C(OCC2=NC=C(N2C)[N+]([O-])=O)C=C1
DB12266	C[C@H]1CCC[C@@H]2[C@@H](N2CCOC(=O)OCCSSC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)C3=CC=C(C=C3)NCC4=CN=C5C(=N4)C(=O)NC(=N5)N)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C6=CSC(=N6)C)/C
DB12267	COC1=CC(=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1)N1CCC(CC1)N1CCN(C)CC1
DB12268	[H][C@@]1(CF)CN(C(=O)C1)[C@@]1([H])CN2CCC3=CC(OC)=C(OC)C=C3[C@]2([H])C[C@]1([H])N
DB12271	[H][C@@](CC(C)C)(N[C@@]([H])(CC1=CN=CN1CC1=CC(Cl)=CC(Cl)=C1)C(O)=O)C(O)=O
DB12273	[H][C@]12CCC3=CC=CC=C3[C@]1([H])C1=CC(O)=C(Cl)C=C1CCN2C
DB12277	CCCCCCN=C(N)N=C(N)N
DB12278	CCCOC(C(=O)OC1CCN(C)CC1)(C1=CC=CC=C1)C1=CC=CC=C1
DB12279	CC(C)[C@H]1NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C)C(=O)N2)OC(=O)C[C@@H]1O
DB12285	CN1C(N)=N[C@@](C)(CS1(=O)=O)C1=CC(NC(=O)C2=CC=C(F)C=N2)=CC=C1F
DB12286	CC1CC(O)=NN=C1C1=CC=C(NN=C(C#N)C#N)C=C1
DB12289	COC1=CC=C(C=C1)C(=O)NC1=C(NC(=O)C2=CC=C(C=C2)N2CCCN(C)CC2)C(O)=CC=C1
DB12290	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C=CC2=C1OC=C(C2=O)C1=CC=C(O)C=C1
DB12293	CN1CCOC(C2=CC=CC=C2)C2=CC=CC=C2C1
DB12301	CN1C(=O)NN=C1CN1C=CC(=C(OC2=CC(=CC(Cl)=C2)C#N)C1=O)C(F)(F)F
DB12305	N[C@@H]1CC[C@@H](C2=CC=C(Cl)C(Cl)=C2)C2=CC=CC=C12
DB12307	COC1=C(OCCCN2CCOCC2)C=C2N=CC=C(OC3=CC=C(NC(=O)C4(CC4)C(=O)NC4=CC=C(F)C=C4)C=C3F)C2=C1
DB12308	[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C
DB12313	OC1=C(O)C=C(CCNCCCCCCNCCC2=CC=CC=C2)C=C1
DB12314	CC(C)NC(=N)NC(=N)NC1=CC=C(Cl)C(Cl)=C1
DB12319	CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C2=CC=CC=C2O1
DB12321	CCCCCNC(=O)C1=COC(=N1)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1CC1=CC=CC=C1CCC(O)=O
DB12323	CC1=CN(C=N1)C1=CC(NC(=O)C2=CC=C(C)C(NC3=NC=CC(=N3)C3=CN=CC=N3)=C2)=CC(=C1)C(F)(F)F
DB12327	COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C1=COC=C1
DB12328	[H][C@]12CC[C@]([H])(O1)[C@]1(C)C(=O)OC(=O)[C@]21C
DB12329	[H][C@@]12CC3=C(F)C=C(NC(=O)CN4CCCC4)C(O)=C3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2
DB12332	CNCC1=CC=C(C=C1)C1=C2CCNC(=O)C3=C2C(N1)=CC(F)=C3
DB12334	CCC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C4=CC=CO4)C(C)=C([C@@H](O)C(=O)[C@]12C)C3(C)C
DB12338	NC(=O)OC[C@@H](O)C1=CC=CC=C1Cl
DB12339	CC(=O)NC[C@H]1CN(C(=O)O1)C1=CC=C(C(F)=C1)C1=CC=C(CNCC2=CN=NN2)C=C1
DB12340	[H][C@@](CCN1CCOCC1)(CSC1=CC=CC=C1)NC1=C(C=C(C=C1)S(=O)(=O)NC(=O)C1=CC=C(C=C1)N1CCN(CC2=C(CCC(C)(C)C2)C2=CC=C(Cl)C=C2)CC1)S(=O)(=O)C(F)(F)F
DB12341	CC1=CC(=CC(C)=C1)[C@@H]1CCCN1CC1=CC=C(OC2=CC=C(C=C2F)C(N)=O)C=C1
DB12343	CO[C@]1(NC(=O)C(C(O)=O)C2=CSC=C2)[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O
DB12352	CC1=CNC2=C(O)C=C3N(C[C@@H](CCl)C3=C12)C(=O)C1=CC2=CC(NC(=O)NC3=CC=C4NC(=CC4=C3)C(=O)N3C[C@@H](CCl)C4=C5C(C)=CNC5=C(O)C=C34)=CC=C2N1
DB12361	ClC1=COC2=CC=CC=C2C(=O)N1CCCCN1CCC(=CC1)C1=CC=CC=N1
DB12364	COC1=CC=C(NC(=O)C2=CC=C(C=C2)C(=N)N(C)C)C(=C1)C(=O)NC1=CC=C(Cl)C=N1
DB12371	CCC1=CC(=CC=C1CN1CC(C1)C(O)=O)C(\C)=N\OCC1=CC=C(C2CCCCC2)C(=C1)C(F)(F)F
DB12376	ONC(=O)CCCCCCNC(=O)C1=CN=C(N=C1)N(C1=CC=CC=C1)C1=CC=CC=C1
DB12377	OS(=O)(=O)ON1[C@H]2C[N@]([C@@H](CC2)C(=O)NC2CCNCC2)C1=O
DB12379	O=C1NC2=C(C=CC=C2)\C1=C1/NC2=C(C=CC=C2)C1=O
DB12381	CN1N=CC2=CC(OC3=C(F)C=C(NC(=O)C4=CC=C(C)N(C4=O)C4=CC=C(F)C=C4)C=C3)=C(C=C12)C1=CNN=C1
DB12382	ONC(=O)C1=CN=C(N=C1)N1CCN(CC1)S(=O)(=O)C1=CC2=CC=CC=C2C=C1
DB12385	CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC(O)=CC1=C3)C2=O
DB12391	C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](CC=C)[C@H]1O)C1=CC=C2SC(C)=NC2=C1
DB12395	[H][C@]1(CNCCO1)[C@@H](OC1=CC=CC=C1OCC)C1=CC=CC=C1
DB12399	CC1(C)OC(=C(C1=O)C1=CC=CC(F)=C1)C1=CC=C(C=C1)S(N)(=O)=O
DB12401	OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Br)C=C1
DB12406	C[C@@H](O)CCCCN1C(=O)N(C)C2=C(N(C)C=N2)C1=O
DB12407	CN(CC(O)CO)C(=O)C1=C(I)C(C(=O)N(C)CC(O)CO)=C(I)C(NC(=O)C(CO)CO)=C1I
DB12412	N[C@H](CN1CC(F)(F)CCC1=O)CC(=O)N1CCC2=C(C1)N=C(N=C2C(F)(F)F)C(F)(F)F
DB12416	[H][C@]1(CCCN(C1)C(=O)NC[C@H](C[C@H]1CCCOC1)NC)[C@@H](OCCNC(=O)OC)C1=CC=CC(Cl)=C1
DB12417	CC1=NN2C=C(C=NC2=C1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N
DB12418	O=C1NS(=O)(=O)C2=C1C=CC=C2
DB12422	C[S@@](=O)CCCCN=C=S
DB12425	N[C@@H](CC1=CC([131I])=C(OC2=CC([131I])=C(O)C=C2)C([131I])=C1)C(O)=O
DB12427	C[C@@H](N(C)C(=O)N1CC[C@@H](C[C@@H]1C1=CC=C(F)C=C1C)N1CCN2[C@@H](CCC2=O)C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
DB12436	COC1=CC=C(C=C1CN[C@H]1CCCN[C@H]1C1=CC=CC=C1)N1N=NN=C1C(F)(F)F
DB12442	CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O
DB12445	CC(=O)OC1=CC=CC=C1C(=O)OC1=CC=CC(CO[N+]([O-])=O)=C1
DB12447	CC1CCC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCC(O)CC1
DB12450	CCCOC(=O)C1=CC(O)=C(O)C(O)=C1
DB12455	[H][C@@]12CC3=C(C=C(CNCC(C)(C)C)C(O)=C3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2)N(C)C
DB12458	NCC1=CC(=O)NO1
DB12459	CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC=CC1=C3CCNC(C)C)C2=O
DB12461	CN1C(=O)N(C(=O)[C@@]1(CO)C1=CC=CC=C1)C1=CC=C(C#N)C(=C1)C(F)(F)F
DB12465	FC1=CC=C(C=C1)C(=O)C1CCN(CCN2C(=O)NC3=CC=CC=C3C2=O)CC1
DB12470	NC1=NC(=O)N(C=C1F)[C@@H]1O[C@H](CO)C=C1
DB12472	[H][C@@](O)(CO)CN1CCN(CC1)C1=CC=CC=C1
DB12473	O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1
DB12474	C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
DB12478	C(N1CCN(CC1)C1=NC=CC=N1)C1=CC2=C(OCO2)C=C1
DB12480	[H]OC(=O)[C@]12CC[C@@]([H])(C(C)=C)[C@]1([H])[C@@]1([H])CC[C@]3([H])[C@@]4(C)CC[C@]([H])(O[H])C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC2
DB12482	COC1=C(OC)C=C(C(=O)NC2=NC(=CS2)C(=O)NCCN(C(C)C)C(C)C)C(O)=C1
DB12483	COC1=C(OCCCN2CCOCC2)C=CC2=C1N=C(NC(=O)C1=CN=C(N)N=C1)N1CCN=C21
DB12487	CCCOC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4OC)C
DB12492	NC(=O)C1(CCN(CCC(C#N)(C2=CC=CC=C2)C2=CC=CC=C2)CC1)N1CCCCC1
DB12499	[H][C@@]12CC[C@](OC(=O)CC)(C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
DB12500	CC1=CN=C(NC2=CC=C(OCCN3CCCC3)C=C2)N=C1NC1=CC=CC(=C1)S(=O)(=O)NC(C)(C)C
DB12515	CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC=C(N)C1=C3)C2=O
DB12518	CCN1CCC[C@H]1CNC(=O)C1=C(O)C(Cl)=CC(Cl)=C1OC
DB12523	CN(C1CCN(CC1)C1=NC2=C(C=CC=C2)N1CC1=CC=C(F)C=C1)C1=NC=CC(=O)N1
DB12526	COC1=CC(NC(=O)CCN2CCC(CC2)OC(=O)NC2=CC=CC=C2C2=CC=CC=C2)=C(Cl)C=C1CNC[C@H](O)C1=C2C=CC(=O)NC2=C(O)C=C1
DB12531	NC1=NC2=C(N=CN2[C@@H]2C[C@H](CO)[C@H]2CO)C(=O)N1
DB12532	CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)CC1=CC=CC=C1)C(C)(C)CC1=CC=CC=C1
DB12537	N1N=CC=CC2=CC=CC=C12
DB12539	CC1=C(SSC1=S)C1=CN=CC=N1
DB12543	NC(=O)C1=C(O)C2=C(C[C@H]3N(CC4CC4)CC[C@@]22CC(=O)CC[C@@]32O)C=C1
DB12545	CCC(C(O)=O)C1=CC=C(C=C1)N1CC2=CC=CC=C2C1=O
DB12548	CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C(COCC)=C1)C1=CC=CC=C1S(=O)(=O)NC1=NOC(C)=C1C
DB12549	COC1=CC=C2NC3=C4C(=CC=C3[N+]([O-])=O)N(CCCN(C)C)N=C4C2=C1
DB12551	C1CN=C(N1)C1COC2=CC=CC=C2O1
DB12553	C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO
DB12554	CCN(CCCCOC(=O)C1=CC(OC)=C(OC)C=C1)C(C)CC1=CC=C(OC)C=C1
DB12555	COC1=CC=C(NC(=O)NC2=CC=C(F)C=C2F)C=C1C1=C(Br)C=NN1C
DB12565	CN(C)CC1=C(OC2=CC=CC=C12)C(=O)NCCOC1=CC=C(C=C1)C(=O)NO
DB12569	CCCN1C2=C(NC(=N2)C23CCC(CCC(O)=O)(CC2)CC3)C(=O)N(CCC)C1=O
DB12576	CCCOC(=O)CC1=CC=C(OCC(=O)N(CC)CC)C(OCC)=C1
DB12577	COC1=CC=C(\C=C/C2=CC(OC)=C(OC)C(OC)=C2)C=C1OP(O)(O)=O
DB12578	COCCOCCN(CC(=O)NCCCCCCOP(=O)(O)O)C(=O)COCCOC
DB12579	FC1=C(F)C=C(CN2CCC(CC2)NC2=CC=C(N=N2)C(F)(F)F)C=C1
DB12582	O=C(\C=C\C=C\C1=CC2=C(OCO2)C=C1)N1CCCCC1
DB12585	NC(=O)C1=CC=C(OC2=C(F)C=C(CNCCC3CCOCC3)C=C2)N=C1
DB12590	CN(C(C)=O)C1=CC=CC(=C1)C1=CC=NC2=C(C=NN12)C(=O)C1=CC=CS1
DB12593	CN1C(\C=C\CO)=C(CO)C2=C1C(=O)C=C(N1CC1)C2=O
DB12596	COC1=CC=C(C[C@@H](O)C2=CC(OC)=C(OC)C(OC)=C2)C=C1O
DB12598	NC(=N)NC1=CC=C(C=C1)C(=O)OC1=CC2=C(C=C1)C=C(C=C2)C(N)=N
DB12604	[H][C@@]1(N)CC=C(CN)O[C@]1([H])O[C@]1([H])[C@@]([H])(N)C[C@@]([H])(N)[C@]([H])(O[C@@]2([H])OC[C@](C)(O)[C@]([H])(NC)[C@@]2([H])O)[C@@]1([H])O
DB12610	O=C1N([Se]C2=CC=CC=C12)C1=CC=CC=C1
DB12612	CC(C)OC1=CC=C(C=C1C#N)C1=NC(=NO1)C1=CC=CC2=C1CC[C@@H]2NCCO
DB12615	CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@@H](C[C@H](N)[C@@H](O[C@H]3OC(CNCCO)=CC[C@H]3N)[C@@H]2O)NC(=O)[C@@H](O)CCN)OC[C@]1(C)O
DB12617	NC(=O)C1=C(O)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
DB12624	CCCCCCCCN=C1C=CN(CCCCCCCCCCN2C=CC(C=C2)=NCCCCCCCC)C=C1
DB12625	CC(C)(C)OC[C@H]1N(CCNC1=O)C(=O)C[C@H](N)CC1=CC(F)=C(F)C=C1F
DB12629	OC(=O)CCC1=CC(I)=C(OC2=CC=C(O)C=C2)C(I)=C1
DB12637	CN(C)C1=CC=C(C=C1)[C@H]1C[C@]2(C)[C@@H](CC[C@]2(O)CCCO)[C@@H]2CCC3=CC(=O)CCC3=C12
DB12638	CC(C)NCCCN1C(SC2=C(I)C=C3OCOC3=C2)=NC2=C(N)N=CN=C12
DB12645	CCN(CC)CC1=CC=C2C=C(COC(=O)NC3=CC=C(C=C3)C(=O)NO)C=CC2=C1
DB12647	CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC1(C)CCC2=CC(O)=CC=C2O1
DB12649	CNC(=NS(=O)(=O)C1=CC=C(Cl)C=C1)N1C[C@@H](C(=N1)C1=CC=C(Cl)C=C1)C1=CC=CC=C1
DB12651	CC1(C)CC[C@@]2(CC[C@]3(C)[C@@H]([C@@H]2C1)C(=O)C=C1[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@@H]2CC[C@@]31C)C(O)=O
DB12661	COC1=CC=CC=C1N1CCN(CCCNC2=CC(=O)N(C)C(=O)N2C)CC1
DB12662	CO[C@@H](CC1=CC=C(OCCCOC2=CC=C(OC3=CC=CC=C3)C=C2)C=C1)C(O)=O
DB12667	CCCC1=NC=CC(=C1)C(S)=N
DB12670	CCCN1C2=C(NC(=N2)C23C[C@@H]4CC2C[C@H](C3)C4)C(=O)N(CCC)C1=O
DB12671	CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)\C=C\C1=CC=C(OCCN(C)C)C=C1
DB12677	CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)NCCC1=CC=CC=C1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C
DB12681	CC(C)=CCC\C(C)=C\CC\C(C)=C\CSC1=CC=CC=C1C(O)=O
DB12687	CCCCOC1=NC(N)=C2NC(=O)CN(CC3=CC=CC(CN4CCCC4)=C3)C2=N1
DB12692	NCCCNCCCCNC(=O)C(O)NC(=O)CCCCCCNC(N)=N
DB12693	CC1=C(CCN2CCC(CC2)=C(C2=CC=C(F)C=C2)C2=CC=C(F)C=C2)C(=O)N2C=CSC2=N1
DB12695	S=C=NCCC1=CC=CC=C1
DB12697	C[Se]C[C@H](N)C(O)=O
DB12702	CC(C)N1C(=O)C(=CC2=CC=CC=C12)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](O)CN(C)S(C)(=O)=O
DB12704	[H][C@@]1(CC[C@@]2(CCCO2)C[C@]1([H])N1CCCC1)N(C)C(=O)CC1=CC(Cl)=C(Cl)C=C1
DB12708	CS(=O)(=O)NC(=O)CCC\C=C/C[C@@H]1[C@@H](\C=C\[C@@H](O)COC2=CC=CC=C2)[C@H](O)CC1=O
DB12710	CN1CCN(CCCN2C3=CC=CC=C3SC3=CC=CC=C23)CC1
DB12712	CC1=CC=CC(C)=C1N=C(O)CC12CCCN1CCC2
DB12713	CCOC1=CC=C(CC2=CC(=CC=C2Cl)[C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)C=C1
DB12725	COC(=O)N1CCC(CN2CCC(CNC(=O)C3=C4NC(=NC4=CC=C3)C(C)C)CC2)CC1
DB12730	CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C1=NC=CS1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C
DB12731	O=C(NCCCCC1CCN(CC1)C(=O)C1=CC=CC=C1)\C=C\C1=CC=CN=C1
DB12733	FC1=CN2C=C(CCC#CC3=CC=CC=N3)N=C2C=C1
DB12736	OCCN=C(O)CN1C=CN=C1N(=O)=O
DB12742	S=C(NCC1=CC=C2OCOC2=C1)N1CCN(CC1)C1=NC=NC2=C1OC1=C2C=CC=C1
DB12749	CCCCC1OC(=O)C2=C1C=CC=C2
DB12752	CC(C)(CC1=CNC2=CC=CC=C12)NCC(O)COC1=CC=CC=C1C#N
DB12753	C1[C@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)F
DB12766	CC1=C(O)C2=C(C=N1)C(OC2)C1=CC=C(Cl)C=C1
DB12769	[H][C@@](CCC(O)=O)(NC(=O)C1=CC=C(CC[C@@]2([H])CNC3=C(C2)C(O)=NC(=N)N3)C=C1)C(O)=O
DB12770	[H]\C(COC1=NC=CC(CN2CCCCC2)=C1)=C(/[H])CN=C(O)CS(=O)CC1=CC=CO1
DB12771	OCCC1=CC=C(O)C(O)=C1
DB12776	CNC1=NC(C2=CC=CC(NC(=O)C3=CC=C(C=C3)C(=O)OC)=C2)=C2C=C(OC)C(OC)=CC2=N1
DB12779	OC1=CC=C(CC2NCCC3=C2C=C(O)C(O)=C3)C=C1
DB12781	CN1C(COC2=CC=C(CC3SC(=O)NC3=O)C=C2)=NC2=CC=CC=C2C1=O
DB12783	NC(CO)C(=O)NNCC1=C(O)C(O)=C(O)C=C1
DB12787	CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
DB12789	[H]\C(CCCC(O)=O)=C(/[H])C[C@@]1([H])[C@@]([H])(O)C[C@@]([H])(O)[C@]1([H])C(\[H])=C(/[H])[C@@]([H])(O)CCCCC
DB12791	[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OC)[C@H](O)CO
DB12799	COC(=O)C1=CN=C2N1CCC1=CC=CC=C1C2=C1CCN(CCC2=CC=C(OCC3=CC=C4C=CC=CC4=N3)C=C2)CC1
DB12803	CC(C)NCC(O)C1=CC=C(Cl)C(Cl)=C1
DB12806	ClC1=CC=C(CC2=NN(C[C@H]3CCCN3CCCCC3=CC=C(OCCCN4CCCCCC4)C=C3)C(=O)C3=CC=CC=C23)C=C1
DB12808	CC(C)(C)C1=CC(=CC=C1N1CCCC1)C1=CC(=CC=C1OCCO)C1=CC=C(C=C1)C(O)=O
DB12821	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
DB12823	CC(OC(=O)C1=CC=C(CC2=C(O)C3=CC=CC=C3OC2=O)C=C1)(C(F)(F)F)C(F)(F)F
DB12825	[H][C@@]12C(=O)CC[C@]11CC[C@@H](C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)CS[C@@H]1CC[C@@H](N)C[C@H]1O
DB12829	[H]\C(=N/NC(S)=N)C1=CC=C(C=C1)N=C(C)O
DB12831	CCOC(=O)C1=CC=C(OC(=O)CCCCCNC(N)=N)C=C1
DB12832	[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCCC3=CC=C(C=C3)N(CCCl)CCCl)[C@@]1(C)C[C@]([H])(O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
DB12833	[H][C@]12CC[C@]([H])(C1)[C@]1([H])C(=O)N(CCCCN3CCN(CC3)C3=NC=CC=N3)C(=O)[C@]21[H]
DB12834	CC(O)CN1C(C)=NC=C1N(=O)=O
DB12836	CCC1=NC2=C(C)N=C(C)C=C2N1C1=CC=C(CCNC(=O)NS(=O)(=O)C2=CC=C(C)C=C2)C=C1
DB12839	COCCOCCCCCC(=O)NCCCC[C@H](N)C(O)=O
DB12842	CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)[C@H](C)NC(=O)COCCOCC(=O)N[C@@H](C)C(=O)O[C@]6(C7=C(COC6=O)C(=O)N8CC9=CC1=CC=CC=C1N=C9C8=C7)CC
DB12843	CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H]([C@H](C[C@]43O)OC(C)=O)C3=CC(=O)OC3)C2)O[C@@H](C)[C@@H]1O
DB12846	CN1C2=C(N(CCCNCC(O)C3=CC(O)=CC(O)=C3)C=N2)C(=O)N(C)C1=O
DB12855	NC1=NC(=O)N(C=C1)[C@H]1CO[C@@H](CO)S1
DB12864	NC1=NC(NC2=CC=C(C=C2)[As]2SCC(CO)S2)=NC(N)=N1
DB12865	C[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](C)NC(=O)[C@@H](CSSC[C@H](N)C(O)=O)NC(C)=O)C(=O)N[C@H](CCCNC(N)=N)C(N)=O
DB12866	OC(=O)C[C@H]1CC[C@@H](CC1)C1=CC=C(C=C1)C1=NC=C(NC2=CN=C(C=C2)C(F)(F)F)C=C1
DB12867	OC1=NC2=CC=CC=C2N1C1CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1
DB12870	CCCCS(=N)(=O)CCC(N)C(O)=O
DB12873	O[C@@H]([C@@H](O)[C@H]1CO1)[C@@H]1CO1
DB12874	CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C=C2)C2=CN3C(SC4=C3C=CC(OCCN3CCOCC3)=C4)=N2)=NO1
DB12877	OC1=NC2=CC=CC=C2N1CCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1
DB12881	OCC1=CNC2=CC=CC=C12
DB12883	C1CN(CCN1)C1=C2OCCOC2=CC=C1
DB12884	CN1N=C(CO)N=C1NCCCOC1=CC=CC(CN2CCCCC2)=C1
DB12887	CCN(C1CCOCC1)C1=CC(=CC(C(=O)NCC2=C(C)C=C(C)NC2=O)=C1C)C1=CC=C(CN2CCOCC2)C=C1
DB12890	OC1=C(O)C=C2[C@H]3[C@H](CCC2=C1)NCC1=CC=CC=C31
DB12901	[H][C@]1(CO)O[C@@]([H])(N2C=C(I)C(=N)N=C2O)[C@@]([H])(F)[C@]1([H])O
DB12902	ClCCN(CCCl)P1(=O)OCCCN1CCCl
DB12912	CC1=CC=C2N=C(N)NC(=O)C2=C1SC1=CC=NC=C1
DB12916	O[C@@H](CBr)[C@@H](O)[C@@H](O)[C@H](O)CBr
DB12920	[H][C@]1(CCC2=NC3=C(N2)C=C(C=C3)C(C)(C)C)C[C@]([H])(C1)N(C[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O)C(C)C
DB12921	NC1=CC=C(C=C1)S(=O)(=O)NC1=NC2=CC=CC(Cl)=C2N=C1
DB12923	COC1=CC(=CC(OC)=C1OC)C(CCCN(C)CCC1=CC(OC)=C(OC)C=C1)(C#N)C(C)C
DB12924	CNC1=NC=C(C=C1C)C1=CC=C2C(=O)C(=CN(C3CC3)C2=C1C)C(O)=O
DB12926	C[C@H](NCCN1C=NC2=C1C(=O)N(C)C(=O)N2C)[C@H](O)C1=CC=CC=C1
DB12927	CN1C2=C(N(CCNCC(O)C3=CC(O)=C(O)C=C3)C=N2)C(=O)N(C)C1=O
DB12930	OCCN1CCN(CCCN2C3=CC=CC=C3C=CC3=CC=CC=C23)CC1
DB12935	CCOC(=O)OC[C@H]1O[C@@H](OC2=NN(C(C)C)C(C)=C2CC2=CC=C(OC(C)C)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
DB12939	C[C@@H]([C@H](N)C(=O)N[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O)C(O)=O)[C@H](O)C1=CC=C(O)C=N1
DB12941	C[C@@H](CN1C=CC(=N1)C1=CC=C(C#N)C(Cl)=C1)NC(=O)C1=NNC(=C1)C(C)O
DB12942	[H][C@](O)(CO)[C@@]([H])(O)[C@]([H])(O[C@]1([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]1([H])O)[C@]([H])(O)CO
DB12944	OC1=CC(O)=CC(O)=C1
DB12945	NN=C1NNC(=NN)C2=CC=CC=C12
DB12947	C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(F)C(O)=NC1=O
DB12948	ONC(=O)C1=CC(O)=C(O)C=C1
DB12951	CC(C)(C)C(O)=NCCCC(O)=O
DB12952	C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)CC(=O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
DB12954	O=C1NOCC1\N=C\C1=CC=C(\C=N\C2CONC2=O)C=C1
DB12958	CN(C)CCCN1C2=CC=CC=C2SC2=C1N=CC=C2
DB12960	CCO[C@@H]1CC2=CC(=CC=C2[C@H]1N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)C1=C(C)N=CN=C1C)C(F)(F)F
DB12961	CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O
DB12965	[Ag]
DB12967	C\C(\C=N\N=C(N)N)=N/N=C(N)N
DB12975	COC1=NC2=C(NC3=CC(CN4CCCC4)=C(O)C(CN4CCCC4)=C3)C3=CC=C(Cl)C=C3N=C2C=C1
DB12978	FC(F)(F)C1=CC=C(CNC2=NC=C(CC3=CNC4=NC=C(Cl)C=C34)C=C2)C=N1
DB12987	COC1=C(Cl)C(OC)=C(Cl)C(=N1)C(Cl)(Cl)Cl
DB12989	NC(=O)OC[C@H]1[C@@H]2NC(N)=N[C@]22N(CCC2(O)O)C(=N)N1O
DB12991	NCCCNCCCCNC(=O)[C@H](O)NC(=O)CCCCCCNC(N)=N
DB12996	C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCC3=CC(O)=C(O)C=C3)O[C@H](CO)[C@H]2OC(=O)\C=C\C2=CC(O)=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O
DB13001	CCOC(=O)C1=C(N)SC2=C1CCN(CC1=CC=CC=C1)C2
DB13003	C[C@@H]1C[C@H]2[C@@H]3C=C(C)C4=CC5=C(C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O)C=NN5C1=CC=CC=C1
DB13005	CNC(=O)C1=NC=CC(OC2=CC(F)=C(C=C2)N=C(O)NC2=CC(=NN2C2=CC=C3N=CC=CC3=C2)C(C)(C)C)=C1
DB13014	CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C4=C3C3=C2C1=C1C(C)=CC(O)=C2C(=O)C5=C(O)C=C(O)C4=C5C3=C12
DB13025	CCN(CC)CCNC(=O)C1=CC(=CC=C1OC)S(C)(=O)=O
DB13026	CC1=NC=C(N1CC(O)CCl)N(=O)=O
DB13027	OC(=O)C1=CC=C(COC2=CC=CC(O)=C2C=O)C=C1
DB13028	[H][C@](C)(O)[C@@]1([H])C(=O)N2C(C([O-])=O)=C(SC3CN4C=NC=[N+]4C3)[C@]([H])(C)[C@]12[H]
DB13029	[O-][N+]1=CC(=CC=C1)C#CC1=CC(=CC=C1)N1C=C(C(=O)NC2CC2)C(=O)C2=CC=CN=C12
DB13036	[H][C@]1(CCC2=C(C1)C1=CC=CC=C1N2CCC(O)=O)NS(=O)(=O)C1=CC=C(F)C=C1
DB13041	COC(=O)N[C@@H](C(C)C)C(=O)N1[C@@H](C[C@@H]2CCCC[C@H]12)C1=NC2=CC=C(C=C2N1)C1=CC2=CC=C1CCC1=CC=C(CC2)C(=C1)C1=CC=C2N=C(NC2=C1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H](NC(=O)OC)C(C)C
DB13042	O=C(CN1CCN(CC2=CC3=C(OCO3)C=C2)CC1)N1C2=CC=CC=C2SC2=CC=CC=C12
DB13044	CC(C)C1=C2C=C(C)C(=C(O)C2=C(C=O)C(O)=C1O)C1=C(O)C2=C(C=O)C(O)=C(O)C(C(C)C)=C2C=C1C
DB13046	NC1=C2N=C(Cl)N([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)C2=NC=N1
DB13050	C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(CC1)C1=CC(=NC(=N1)N1CCCC1)N1CCCC1
DB13058	CS(F)(=O)=O
DB13061	OC(=O)C1=CC=C(NC2=NC=C3CN=C(C4=C(C=CC(Cl)=C4)C3=N2)C2=C(F)C=CC=C2F)C=C1
DB13064	C1CN=C(NC2=CC=CC3=C2CCCC3)N1
DB13066	ClC1=CC=CC(=C1)C(N1C=CN=C1)C1=CC=C2N=CNC2=C1
DB13068	CC[C@H](C)[C@@H]1N(C)C(=O)CN(C)C(=O)[C@H](CC)NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC1=O)C(C)C
DB13069	CC1=NC=C(CNC(=O)N(CCCl)N=O)C(N)=N1
DB13070	CCC1=C(N(N=C1C(=O)NN1CCCCC1)C1=CC=C(Cl)C=C1Cl)C1=CC=C(Br)C=C1
DB13071	CN(CCOP(O)(O)=O)C(N)=N
DB13074	CC(C)(N)C(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@H](CC1=CNC2=CC=CC=C12)NC=O
DB13075	[H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC1=C(C)C(=O)C2=CC=CC=C2C1=O)=C(\C)CCC=C(C)C
DB13076	[90Y]
DB13077	CN1CCN(C=N1)C1=CC=C(C=C1F)N1C[C@H](CO)OC1=O
DB13082	CC1=CC=CC(C)=C1NC(=O)CN1CCCC1=O
DB13083	CCC(CC)C(N1C=NC=N1)C1=CC=C(NC2=NC3=CC=CC=C3S2)C=C1
DB13084	CC1=C(O)C(CO)=C(CSSCC2=C(CO)C(O)=C(C)N=C2)C=N1
DB13089	[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O
DB13091	CCCN(CCC)C(=O)C(CC1=CC=C(OCCN(CC)CC)C=C1)NC(=O)C1=CC=CC=C1
DB13092	[H][C@@]12[C@@H](O)[C@]3([H])C(=C)C4=C(C(O)=CC=C4Cl)C(=O)C3=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C
DB13097	CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)C(C)C
DB13099	CCC(C)C(CC)C(N)=O
DB13104	C[C@@H](OC1=CC(=NN=C1N)C(=O)NC1=CC=C(C=C1)C(=O)N1CCN(C)CC1)C1=C(Cl)C=CC(F)=C1Cl
DB13105	CC[C@@H](O)\C=C\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O
DB13108	CNC(C)C(=O)C1=CC=C(C)C=C1
DB13114	CN(C)(=O)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12
DB13119	CN1C(=O)C(C(=O)NCCO)=C(O)C2=NC=C(CC3=CC=C(F)C=C3)C=C12
DB13124	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(OCCO)=CC(O)=C4C3=O)C3=CC(OCCO)=C(OCCO)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
DB13125	CCCCCCO[C@@H](C)C1=C(OC)C(=CC=C1)C1=CSC(NC(=O)C2=CC(Cl)=C(\C=C(/C)C(O)=O)C(Cl)=C2)=N1
DB13128	C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O
DB13129	C[C@H](O)C(=O)[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@]12C
DB13132	[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)C(=O)O[C@]3([H])O[C@@]4(C)CC[C@]1([H])[C@@]23OO4
DB13135	COC1=CC2=C(C=C1)N(C(=N2)S(=O)CC1=NC=C(C)C(OC)=C1C)S(=O)(=O)C1=CC=C(OCC(O)=O)C=C1
DB13136	FC1=CC=C(C=C1)C1C(=O)C2=CC=CC=C2C1=O
DB13139	CC(C)(C)NC[C@H](O)C1=CC(CO)=C(O)C=C1
DB13141	CN1C2=C(N(CC(O)=O)C=N2)C(=O)N(C)C1=O.NC1=C(Br)C=C(Br)C=C1CN[C@@H]1CC[C@H](O)CC1
DB13142	OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O[Ca]OC(=O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO
DB13143	CC[C@H](C1=CC=C2C=C(OC)C=CC2=C1)C(C)(C)C(O)=O
DB13146	N[C@]1(C[C@H]([18F])C1)C(O)=O
DB13154	OC1=CC=C(Cl)C=C1
DB13155	OC[C@H]1O[C@@H](OC2=C(O)C=C3OC(=O)C=CC3=C2)[C@H](O)[C@@H](O)[C@@H]1O
DB13156	C[C@@H](O)CN(C)C.C[C@@H](O)CN(C)C.C[C@@H](O)CN(C)C.CC(=O)NC1=CC=C(C=C1)C(O)=O.CC(=O)NC1=CC=C(C=C1)C(O)=O.CC(=O)NC1=CC=C(C=C1)C(O)=O.OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CNC2=O
DB13157	[Na+].CCCCCCCCCCCCOC(=O)CS([O-])(=O)=O
DB13158	[H][C@]1(C)C[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@]2(C)[C@@]1(O)C(=O)CCl
DB13160	CCC(=O)O[C@]1(CCN(C)C[C@H]1C)C1=CC=CC=C1
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DB13423	[OH-].[OH-].[OH-].[Fe+3]
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DB13427	[198Au]
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DB13460	CC(C)(OC1=CC=C(Cl)C=C1)C(=O)OCCCOC(=O)C1=CN=CC=C1
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DB13472	CC(=O)OC1=CC=C(C=C1)C(=C1CCCCC1)C1=CC=C(OC(C)=O)C=C1
DB13473	[S--].[S--].[S--].[S--].[S--].[Sb+5].[Sb+5]
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DB13486	[Mg++].[O-][O-]
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DB13838	CNC(=S)NCO
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DB13847	[S--].[S--].[S--].[S--].[S--].[S--].[S--].[186Re].[186Re]
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DB13853	COC1=CC=C(C=C1)C1=CC(=S)SS1
DB13854	CCCCC\C=C/C\C=C/C\C=C/CCCCC(O)=O
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DB13865	[H][C@@]12CC(C[C@H]3NCCC4=C3C=C(OC)C(OC)=C4)=C(CC)CN1CCC1=C2C=C(OC)C(OC)=C1
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DB13916	NC1=C2C(=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1)C#N
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DB13929	COC1=CC=C(C=C1OC)S(=O)(=O)N1[C@@H](C(=O)N2CCC[C@H]2C(N)=O)[C@](O)(C2=CC(Cl)=CC=C12)C1=CC=CC=C1Cl
DB13930	[H]N([C@H](CO)C1=CC(Cl)=CC=C1)C(=O)C1=CC(=CN1[H])C1=CC(=NC=C1Cl)N([H])C(C)C
DB13931	CC1=CC(C)=C(C=C1)C(=O)OCC1=CC=C(C=C1)[C@@H](CN)C(=O)NC1=CC=C2C=NC=CC2=C1
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DB13940	CCSC1=CC(OC)=C(CC(C)N)C=C1OC
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DB13946	CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
DB13947	[H]N(N=C1CC[C@@]2(C)C(CC[C@@]3([H])[C@]4([H])CC[C@H](OC(=O)CCCCCC)[C@@]4(C)CC[C@]23[H])=C1)C(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1
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DB13956	[H][C@@]12CC[C@H](OC(=O)CCCC)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3
DB13958	[H][C@@]12CC[C@H](OC(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3C[C@@H](C)[C@@]21[H]
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DB13977	[K+].[K+].[O-]C([O-])=O
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DB14001	[H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)CCC[C@]1(C)CCC2=C(C)C(OC(=O)CCC(O)=O)=C(C)C(C)=C2O1
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DB14014	CCCCCNC(=O)N1CCC(CN(CC2=CC=C(S2)[N+]([O-])=O)CC2=CC=C(Cl)C=C2)C1
DB14015	[Na+].OS([O-])=O
DB14017	C[C@H](\C=C\C=C(/C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)N2CCN(C)CC2)\C=C\[C@@H]1C)C1=CC=CC=N1
DB14018	CN1C2=C(NC(Br)=N2)C(=O)N(C)C1=O
DB14019	CN(C(=O)C(C)(C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C1=CN=C(C=C1C1=CC=CC=C1C)N1CC[N+](C)(COP(O)([O-])=O)CC1
DB14025	NC1CCN(C1)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1Cl)C(O)=O
DB14026	OC(=O)C1=C(S)C=CC=C1
DB14027	CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)CC1=CNC=N1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
DB14028	ClC1=CC=C2NC(=O)CN=C(C3=CC=CC=C3)C2=C1
DB14029	FC1=C(C=C(C=N1)C1CC2CCC1N2)C1=CC=C(C=C1)C#N
DB14031	C1CN1C1=NC(=NC(=N1)N1CC1)N1CC1
DB14033	CC(=O)N(C1=C(C)C(C)=NO1)S(=O)(=O)C1=CC=C(N)C=C1
DB14034	CC1=C(CCC(=O)C2=CC=C(CC3SC(=O)NC3=O)C=C2)N=C(O1)C1=CC=CC=C1
DB14035	O=C1NC(=O)C(CC2=CC=C3O[C@@H](CC4=CC=CC=C4)CCC3=C2)S1
DB14043	CCCCCCCCCCCCCCCC(=O)NCCO
DB14046	C1=CC=C(C(=C1)Cl)Cl
DB14048	[Na+].[Na+].[Zr].[O-][Si]1([O-])O[Si]([O-])([O-])O[Si]([O-])([O-])O1
DB14049	[O-]N(=O)=O
DB14050	[H][C@]1(CCC(C)=C[C@H]1C1=C(O)C=C(CCC)C=C1O)C(C)=C
DB14051	CC(C)CC\C=C/C=C/C(=O)N[C@@H](C(C)C(O)=O)C(=O)N[C@H]1C(C)NC(=O)[C@@H]2C[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](NC1=O)C(C)C)C(O)C(O)=O)C(C)C(O)=O)C(C)C
DB14052	CCC(C)CC\C=C/C=C/C(=O)N[C@@H](C(C)C(O)=O)C(=O)N[C@H]1C(C)NC(=O)[C@@H]2C[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](NC1=O)C(C)C)C(O)C(O)=O)C(C)C(O)=O)C(C)C
DB14055	CC(=O)C[C@@H](C1=CC=CC=C1)C1=C(O)C2=CC=CC=C2OC1=O
DB14056	[H][C@@]1(C[C@H](C)[C@@]([H])(O1)[C@]1(C)CC[C@@]([H])(O1)[C@]1(C)C[C@@H](C)[C@]2(O1)O[C@]([H])(C[C@@]1([H])CC[C@H](C)[C@@]([H])(O1)[C@@H](C)C(O)=O)C[C@@H](OC)[C@H]2C)[C@@]1([H])O[C@@](O)(CO)[C@H](C)C[C@@H]1C
DB14057	CC(C)[C@@H]1NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C
DB14058	CC[C@@H](C)[C@@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)C(NC1=O)C(C)C)[C@H](C)C(C)C
DB14059	NS(=O)(=O)C1=CC=C(C=C1)N1N=C(C=C1C1=CC=C(Cl)C=C1)C(F)(F)F
DB14060	CS(=O)(=O)NC1=CC=C(C=C1OC1CCCCC1)[N+]([O-])=O
DB14061	CCN(CC)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(CO)C=C1
DB14062	[H][C@@]1(OC(=O)\C(OC)=C\C(\C)=C\[C@@H](C)[C@@H](O)[C@@H](CC)[C@@H](O)[C@H](C)C\C(C)=C\C=C\[C@@H]1OC)[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O[C@H]2C[C@@H](O)[C@H](OC(N)=O)[C@@H](C)O2)[C@H](C)[C@H](O1)\C=C\C
DB14063	COC1=CC=C(CCN(C)CCC[C@@](C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1OC
DB14064	CC(C)C(CCCN(C)CCC1=CC=CC=C1)(C#N)C1=CC=CC=C1
DB14065	COC1=CC=C(CN2CCN(CC2)C(C2=CC=C(F)C=C2)C2=CC=C(F)C=C2)C(OC)=C1OC
DB14066	COC1=CC=C2C[C@@H]3N(C)CCC4=C3C(OC3=CC5=C(CCN(C)[C@H]5CC5=CC=C(OC1=C2)C=C5)C=C3OC)=C(OC)C(OC)=C4
DB14067	OC(COC1=CC=CC2=C1C=CC=N2)CN1CCN(CC1)C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1
DB14068	[H]N1C(C)=C([C@@H](C2=CC(=CC=C2)[N+]([O-])=O)C(C(=O)OCCCN2CCC(CC2)(C2=CC=CC=C2)C2=CC=CC=C2)=C1C)C(=O)OC
DB14069	[H]\C(COCC)=C(\[H])C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC=C(NC(C)C)C=C1)C1=CC=C(NC(C)C)C=C1
DB14070	[H]N(C(=O)C1=CC(=O)C2=CC=CC=C2O1)C1=CC(OC)=C(OC)C=C1C1=NN(N=N1)C1=CC=C(CCN2CCC3=CC(OC)=C(OC)C=C3C2)C=C1
DB14071	[H][C@]1(N)CC[C@@]([H])(C2=CC(Cl)=C(Cl)C=C2)C2=CC=CC=C12
DB14072	CC(C)(C)OC(=O)N[C@@H](CC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OC(C)(C)C
DB14074	CCC(C)OC(=O)N1CCCCC1CCO
DB14093	[3H]C1C([3H])C2=CC(=O)C([3H])C([3H])[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
DB14094	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O
DB14125	[H][C@@]1(CCC2=CC=CC=C2N(CC(O)=O)C1=O)N[C@@H](CCC1=CC=CC=C1)C(O)=O
DB14126	C[C@H](CN1C=NC2=C1N=CN=C2N)OCP(O)(O)=O
DB14132	CN1C2=C(NC(Cl)=N2)C(=O)N(C)C1=O
DB14146	[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1(O)CC[C@]2([H])OCCOCCOCCOCCOCCOCCOC
DB14184	O=C\C=C\C1=CC=CC=C1
DB14185	CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=CC=C(OCCCCN3CCN(CC3)C3=C(Cl)C(Cl)=CC=C3)C=C12
DB14186	OC\C=C\C1=CC=CC=C1
DB14193	CCN(CC)C1=S[Zn++]2([SH-]1)[SH-]C(=S2)N(CC)CC
DB14194	CCCCN(CCCC)C1=S[Zn++]2([SH-]1)[SH-]C(=S2)N(CCCC)CCCC
DB14207	[H][C@]1(C[C@H](N(C1)C(=O)CP(O)(=O)CCCCC1=CC=CC=C1)C(O)=O)C1CCCCC1
DB14208	[H][C@@]12CCC[C@]1([H])N([C@@H](C2)C(O)=O)C(=O)[C@H](C)N[C@@H](CCC1=CC=CC=C1)C(O)=O
DB14209	[H][C@@](C)(N[C@@]([H])(CCC1=CC=CC=C1)C(O)=O)C(=O)N1[C@@]([H])(C[C@@]2([H])CCCC[C@]12[H])C(O)=O
DB14210	COC1=C(OC)C=C2CN([C@@H](CC2=C1)C(O)=O)C(=O)[C@H](C)N[C@@H](CCC1=CC=CC=C1)C(O)=O
DB14213	[H][C@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCC)C(O)=O)[C@@]1([H])CCCC2)C(O)=O
DB14217	C[C@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C(=O)N1CC2=C(C[C@H]1C(O)=O)C=CC=C2
DB14218	CC1=NN(C=C1)C1=CC(Cl)=CC=C1[C@@H](OC1=NC(N)=NC(=C1)C1=CC=C(C[C@H](N)C(O)=O)C=C1)C(F)(F)F
DB14219	COC(=O)\C=C\C(O)=O
DB14221	[H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
DB14231	c1ccc2c(c1)C(=O)C(C2=O)c3ccc4cc(cc(c4n3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
DB14232	OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)C1=CC=CC=N1
DB14476	CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(C)C(O)=C(C)C(C)=C2O1
DB14479	[Zn++].CC(=O)N[C@@H](CS)C([O-])=O.CC(=O)N[C@@H](CS)C([O-])=O
DB14481	O.O.[Ca++].OP([O-])([O-])=O
DB14482	[Na+].[H][C@@]1(OC(=O)C(O)=C1[O-])[C@@H](O)CO
DB14483	[Ca++].OC[C@H](O)[C@H]1OC(=O)C(O)=C1[O-].OC[C@H](O)[C@H]1OC(=O)C(O)=C1[O-]
DB14484	[Mg++].[H][C@@]1(OC(=O)C(O)=C1[O-])[C@@H](O)CO.[H][C@@]1(OC(=O)C(O)=C1[O-])[C@@H](O)CO
DB14485	[Zn++].[H][C@@]1(OC(=O)C(O)=C1[O-])[C@@H](O)CO.[H][C@@]1(OC(=O)C(O)=C1[O-])[C@@H](O)CO
DB14486	NC(=O)C1=CN=CC=C1.[H]C(O)(CO)[C@@]1([H])OC(=O)C(O)=C1O
DB14487	[Zn++].CC([O-])=O.CC([O-])=O
DB14488	[Fe++].[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O.[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O
DB14489	[Fe++].[O-]C(=O)CCC([O-])=O
DB14490	[Fe++].[H][C@](O)(CO)[C@@]1([H])OC(=O)C(O)=C1O.[H][C@](O)(CO)[C@@]1([H])OC(=O)C([O-])=C1[O-]
DB14491	[Fe++].[H]\C(=C(\[H])C([O-])=O)C([O-])=O
DB14492	[K+].I[I-]I
DB14493	[Zn++].[H]N([H])CC([O-])=O.[H]N([H])CC([O-])=O
DB14498	[K+].CC([O-])=O
DB14499	[K+].[K+].[O-]S([O-])(=O)=O
DB14500	[KH]
DB14501	[Fe++].NCC([O-])=O.NCC([O-])=O.OS(O)(=O)=O
DB14502	[Na+].[Na+].OP([O-])([O-])=O
DB14505	[Na+].[Na+].[O-]B1OB2OB([O-])OB(O1)O2
DB14506	[Li+].[OH-]
DB14507	[Li+].[Li+].[Li+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
DB14508	[Li+].[Li+].[O-]C(=O)CCC([O-])=O
DB14509	[Li+].[Li+].[O-]C([O-])=O
DB14512	[H][C@@]1(C)C[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@]([H])(O)C[C@]2(C)[C@@]1(OC(=O)C1=CC=CO1)C(=O)CCl
DB14513	[MgH2]
DB14514	[Mg++].CC(=O)CCC([O-])=O.CC(=O)CCC([O-])=O
DB14516	[Na+]
DB14517	[Al+3].[O-]P([O-])([O-])=O
DB14518	[Al+3].CC([O-])=O.CC([O-])=O.CC([O-])=O
DB14519	[Al+3]
DB14520	O.O.O.O.O.O.O.O.O.O.[Fe+3].[Fe+3].[Fe+3].[Fe+3].[O-]C(=O)CC([O-])(CC([O-])=O)C([O-])=O.[O-]C(=O)CC([O-])(CC([O-])=O)C([O-])=O.[O-]C(=O)CC([O-])(CC([O-])=O)C([O-])=O
DB14521	[Ag+]
DB14523	[O-]P([O-])([O-])=O
DB14526	[Cr+3].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
DB14527	[Cr+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O
DB14528	[Cr+3].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O
DB14529	[Cr+3].[O-]C(=O)C1=CN=CC=C1.[O-]C(=O)C1=CN=CC=C1.[O-]C(=O)C1=CN=CC=C1
DB14530	[Cr++].[O-]S([O-])(=O)=O
DB14532	[Zn++]
DB14533	[Cl-].[Cl-].[Zn++]
DB14538	[H][C@@]12CC[C@](OC(=O)CC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
DB14539	[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
DB14540	[H][C@@]12CC[C@](OC(=O)CCC)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
DB14541	[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCC3CCCC3)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
DB14542	[H][C@@]12CC[C@](O)(C(=O)COP(O)(O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
DB14543	[H][C@@]12CC[C@](OC(=O)CCC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
DB14544	[H][C@@]12CC[C@](OC(=O)CCCC)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
DB14545	[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCC(O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
DB14546	[O-]S([O-])(=O)=O
DB14568	[H][C@@](N(C(=O)[C@]1([H])CCC(=O)N1C1=NC=CC(=C1)C#N)C1=CC(F)=CN=C1)(C(=O)NC1CC(F)(F)C1)C1=C(Cl)C=CC=C1
DB14569	CN1N=NC(=N1)C1=NC=C(C=C1)C1=C(F)C=C(C=C1)N1C[C@H](CO)OC1=O
DB14570	[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
DB14575	NC(=O)N1C2=C(C[C@H](O)C3=C1C=CC=C3)C=CC=C2
DB14577	[Ca++]
DB14579	[La+3]
DB14581	COC1=C(CNC(=O)C2=C(C)N([C@H](C)C3CCN(CC(F)(F)F)CC3)C3=CC=CC=C23)C(=O)NC(C)=C1
DB14583	[H][C@@]12CC(=C)[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]
DB14596	[H][C@@]12CC[C@](OC(=O)OCC)(C(=O)OCCl)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
DB14598	[Na+].[Na+].[Ca++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O
DB14600	[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O
DB14627	CC(=O)OC1=CC=C(C=C1)C1(C(=O)NC2=CC=CC=C12)C1=CC=C(OC(C)=O)C=C1
DB14631	[H][C@@]12CC[C@](O)(C(=O)COP(O)(O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
DB14633	[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCC(O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
DB14634	[H][C@@]12CC(=C)[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
DB14635	COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC=C(OS(O)(=O)=O)C(OC)=C2)=CC=C1O
DB14637	CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
DB14639	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCCCCCCCC=C
DB14641	[H][C@]1(C[C@@]2([H])[C@]3([H])CCC4=CC(OC(=O)CC)=CC=C4[C@@]3([H])CC[C@]2(C)[C@@]1([H])OC(=O)CC)OC(=O)CC
DB14642	[H]N([H])C(=O)C[C@]1([H])NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H](N)CSSC[C@H](NC1=O)C(=O)N1CCC[C@H]1C(=O)NC([H])(CCCCN)C(=O)NCC(N)=O
DB14643	[H][C@@]12CC[C@](OC(=O)CC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C
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